smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cc(C(=O)[O-])ccc1O ZINC001593258238 994541305 /nfs/dbraw/zinc/54/13/05/994541305.db2.gz YLEFDEALVDRLCU-ZFWWWQNUSA-N 1 1 332.444 2.863 20 10 EFCDMO COc1ccc(C[C@](C)(CO)[NH2+]Cc2cc(F)cc(F)c2O)cc1 ZINC000883204319 1126125017 /nfs/dbraw/zinc/12/50/17/1126125017.db2.gz XXHQSZIOSPVNKK-GOSISDBHSA-N 1 1 337.366 2.762 20 10 EFCDMO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3cc(Cl)c(F)cc3[O-])C2)C1 ZINC001580201192 1090807576 /nfs/dbraw/zinc/80/75/76/1090807576.db2.gz XIMBYKUUDMBNEJ-NDGTYSDOSA-N 1 1 342.842 2.903 20 10 EFCDMO Cc1cc(C[N@H+](C)Cc2ccc(N(C)C)cc2)ccc1-c1nn[nH]n1 ZINC001591961875 1093935372 /nfs/dbraw/zinc/93/53/72/1093935372.db2.gz AUDBUQJZNVVKPK-UHFFFAOYSA-N 1 1 336.443 2.873 20 10 EFCDMO Oc1cc(Cl)ccc1C[NH2+]CCc1ccc(-c2nn[nH]n2)cc1 ZINC001593539529 1094353032 /nfs/dbraw/zinc/35/30/32/1094353032.db2.gz WBKKKPLCZAQQTF-UHFFFAOYSA-N 1 1 329.791 2.558 20 10 EFCDMO Cc1cc(C(=O)C[N@@H+]2CC[C@@](C)(O)C2)c(C)n1-c1ccc(Cl)cn1 ZINC000827979364 1096196032 /nfs/dbraw/zinc/19/60/32/1096196032.db2.gz QJMAYHRGEVCLRS-GOSISDBHSA-N 1 1 347.846 2.782 20 10 EFCDMO Cc1cc(C(=O)C[N@H+]2CC[C@@](C)(O)C2)c(C)n1-c1ccc(Cl)cn1 ZINC000827979364 1096196037 /nfs/dbraw/zinc/19/60/37/1096196037.db2.gz QJMAYHRGEVCLRS-GOSISDBHSA-N 1 1 347.846 2.782 20 10 EFCDMO Cc1cc(C[N@H+]2Cc3cccc(-c4nn[nH]n4)c3C2)ccc1N(C)C ZINC001605656771 1097182420 /nfs/dbraw/zinc/18/24/20/1097182420.db2.gz POSSZDPSAOWNRG-UHFFFAOYSA-N 1 1 334.427 2.757 20 10 EFCDMO C[N@H+]1CCCC2(CCN(C(=O)c3cc4cc(O)c(O)cc4[nH]3)CC2)C1 ZINC001269477320 1098169003 /nfs/dbraw/zinc/16/90/03/1098169003.db2.gz UODZEOARTPMXLT-UHFFFAOYSA-N 1 1 343.427 2.527 20 10 EFCDMO O=C(/C=C/c1ccc(O)c(O)c1)N1CC[C@H]2[C@@H]1CC[N@H+]2C1CCCC1 ZINC001270703483 1099467801 /nfs/dbraw/zinc/46/78/01/1099467801.db2.gz NCJFTVBMFQRUHO-IWDGFTLQSA-N 1 1 342.439 2.729 20 10 EFCDMO Oc1cc(O)c(CCNc2[nH+]cnc3[nH]c4c(c32)CCCC4)cc1O ZINC001168006013 1100130277 /nfs/dbraw/zinc/13/02/77/1100130277.db2.gz JIPOPODYTZEZQD-UHFFFAOYSA-N 1 1 340.383 2.608 20 10 EFCDMO COc1ccc2ccc(O)c(C[N@H+]3CC[C@H](OC(=O)N(C)C)C3)c2c1 ZINC000840107137 1100827473 /nfs/dbraw/zinc/82/74/73/1100827473.db2.gz WSPLFVAYPGZOOL-HNNXBMFYSA-N 1 1 344.411 2.827 20 10 EFCDMO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000840479043 1101090517 /nfs/dbraw/zinc/09/05/17/1101090517.db2.gz FGULYUATBBEEEG-INIZCTEOSA-N 1 1 346.519 2.728 20 10 EFCDMO CC[N@@H+]1CCc2nc(NC(=O)/C=C\c3ccc(O)c(O)c3)sc2C1 ZINC000588403774 1101901332 /nfs/dbraw/zinc/90/13/32/1101901332.db2.gz OVXFYUNSRAQYTN-XQRVVYSFSA-N 1 1 345.424 2.584 20 10 EFCDMO CC[N@H+]1CCc2nc(NC(=O)/C=C\c3ccc(O)c(O)c3)sc2C1 ZINC000588403774 1101901338 /nfs/dbraw/zinc/90/13/38/1101901338.db2.gz OVXFYUNSRAQYTN-XQRVVYSFSA-N 1 1 345.424 2.584 20 10 EFCDMO Oc1cccc(Br)c1CN1CCC[N@H+]2CCC[C@H]2C1 ZINC000707166046 1102232475 /nfs/dbraw/zinc/23/24/75/1102232475.db2.gz NLHKRSDWARTBIV-LBPRGKRZSA-N 1 1 325.250 2.825 20 10 EFCDMO Cc1cc(N(C)C)ccc1C[N@@H+](C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000840915947 1102453978 /nfs/dbraw/zinc/45/39/78/1102453978.db2.gz UIFACSQPQVDJQA-HNNXBMFYSA-N 1 1 343.393 2.656 20 10 EFCDMO Cc1cc(C)nc(N2CC[NH+](Cc3ccc(N(C)C)c(F)c3)CC2)n1 ZINC000783602825 1102504159 /nfs/dbraw/zinc/50/41/59/1102504159.db2.gz PYZGHFSWOYALAX-UHFFFAOYSA-N 1 1 343.450 2.621 20 10 EFCDMO COC(=O)[C@H](CC1CC1)[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000840956776 1102555638 /nfs/dbraw/zinc/55/56/38/1102555638.db2.gz DTLVCNNVFHWSPD-SFHVURJKSA-N 1 1 332.444 2.595 20 10 EFCDMO CN1CCN(c2ccc(C[NH2+]CC(C)(C)OCC3CC3)cc2)CC1 ZINC000840960054 1102581521 /nfs/dbraw/zinc/58/15/21/1102581521.db2.gz CSPHDPSDCPJVNJ-UHFFFAOYSA-N 1 1 331.504 2.733 20 10 EFCDMO Cn1ncc(Br)c1C[NH2+]Cc1c(O)cccc1Cl ZINC000693500651 1102669745 /nfs/dbraw/zinc/66/97/45/1102669745.db2.gz KEXZKDDPBDWCNY-UHFFFAOYSA-N 1 1 330.613 2.831 20 10 EFCDMO CC[C@@H](C)[C@@H]([NH2+]C1CCN(c2ccc(OC)cc2)CC1)C(=O)OC ZINC000905754825 1103593143 /nfs/dbraw/zinc/59/31/43/1103593143.db2.gz HEWPYWBBMUWGKO-RDTXWAMCSA-N 1 1 334.460 2.841 20 10 EFCDMO CCN(CC)c1ccc(CNC(=O)[C@H](C)[NH+]2CCSCC2)cc1 ZINC000179158718 1104901449 /nfs/dbraw/zinc/90/14/49/1104901449.db2.gz KEHJWDKUMVZBGQ-HNNXBMFYSA-N 1 1 335.517 2.586 20 10 EFCDMO CCN(CC)c1ccc(CNC(=O)[C@@H](C)[NH+]2CCSCC2)cc1 ZINC000179158705 1104901662 /nfs/dbraw/zinc/90/16/62/1104901662.db2.gz KEHJWDKUMVZBGQ-OAHLLOKOSA-N 1 1 335.517 2.586 20 10 EFCDMO CCOc1cccc(C[N@H+]2CCC[C@@H](Cc3nc(C)no3)C2)c1O ZINC000897579195 1105776480 /nfs/dbraw/zinc/77/64/80/1105776480.db2.gz QWOSVRGDUSEMII-AWEZNQCLSA-N 1 1 331.416 2.937 20 10 EFCDMO COc1cc(O)c(C[N@H+]2CCC[C@@H](Cc3nc(C)no3)C2)cc1OC ZINC000897579358 1105777485 /nfs/dbraw/zinc/77/74/85/1105777485.db2.gz UQIMNEUDJWGUKE-ZDUSSCGKSA-N 1 1 347.415 2.556 20 10 EFCDMO CC[N@@H+](CCC(=O)NC)Cc1ccc(OCc2ccccc2)cc1O ZINC000897710306 1106059716 /nfs/dbraw/zinc/05/97/16/1106059716.db2.gz QVKZATDBGSKUQR-UHFFFAOYSA-N 1 1 342.439 2.929 20 10 EFCDMO O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@H]1CCC[NH2+]CC1 ZINC000841978701 1106071694 /nfs/dbraw/zinc/07/16/94/1106071694.db2.gz OSOIUWGDZKLCOX-NSHDSACASA-N 1 1 332.231 2.640 20 10 EFCDMO COc1ccc(N2CC[C@@H](CNC(=O)[C@@H]3CC[N@H+]3C(C)(C)C)C2)cc1 ZINC000898007870 1106178873 /nfs/dbraw/zinc/17/88/73/1106178873.db2.gz UMMMOLIUJMWZGG-YJBOKZPZSA-N 1 1 345.487 2.511 20 10 EFCDMO CCOc1ccc(O)c(C[N@@H+]2C[C@@H](Cc3ccccc3)[C@H](O)C2)c1 ZINC000898142951 1106249228 /nfs/dbraw/zinc/24/92/28/1106249228.db2.gz VBSQKWNWSMGRHD-OXQOHEQNSA-N 1 1 327.424 2.826 20 10 EFCDMO OCCc1ccc(C[NH2+]Cc2cccc(Br)c2O)cc1 ZINC000898172623 1106259638 /nfs/dbraw/zinc/25/96/38/1106259638.db2.gz SDJXZGIWVHQCCG-UHFFFAOYSA-N 1 1 336.229 2.979 20 10 EFCDMO CC(C)C[N@H+]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC000989760906 1106627566 /nfs/dbraw/zinc/62/75/66/1106627566.db2.gz IEUMTTCOEXYZJD-UHFFFAOYSA-N 1 1 331.420 2.653 20 10 EFCDMO NC(=O)N=Nc1ccc(C(=O)N2CCC[N@@H+](CC3CCC3)CC2)cc1 ZINC000989761044 1106627783 /nfs/dbraw/zinc/62/77/83/1106627783.db2.gz PJVAYGVHAODZPM-UHFFFAOYSA-N 1 1 343.431 2.797 20 10 EFCDMO C[C@@H](F)CC[N@H+]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC000989767943 1106632833 /nfs/dbraw/zinc/63/28/33/1106632833.db2.gz QIXNDVHKOSMMQB-CYBMUJFWSA-N 1 1 349.410 2.745 20 10 EFCDMO CC[C@@H](F)C[N@@H+]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC000989767687 1106633161 /nfs/dbraw/zinc/63/31/61/1106633161.db2.gz CHIOWDQBTDXNFS-CQSZACIVSA-N 1 1 349.410 2.745 20 10 EFCDMO CC[C@@H](F)C[N@H+]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC000989767687 1106633166 /nfs/dbraw/zinc/63/31/66/1106633166.db2.gz CHIOWDQBTDXNFS-CQSZACIVSA-N 1 1 349.410 2.745 20 10 EFCDMO CCCC[N@H+]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC000989767657 1106633332 /nfs/dbraw/zinc/63/33/32/1106633332.db2.gz AOUSUBWOUCNMFW-UHFFFAOYSA-N 1 1 331.420 2.797 20 10 EFCDMO Oc1cc(Br)cc(F)c1CN1CC([NH+]2CCCCC2)C1 ZINC001233031543 1107552921 /nfs/dbraw/zinc/55/29/21/1107552921.db2.gz GATHJBSCZUDLTP-UHFFFAOYSA-N 1 1 343.240 2.964 20 10 EFCDMO CN(C)c1ccc([C@@H]([NH3+])CNCc2ccc3c(c2)CCCO3)cc1 ZINC000904353031 1107838503 /nfs/dbraw/zinc/83/85/03/1107838503.db2.gz GNYPZTJTHBXRKV-IBGZPJMESA-N 1 1 325.456 2.867 20 10 EFCDMO CC(C)CN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cc(O)ccc1O ZINC001272385833 1108147543 /nfs/dbraw/zinc/14/75/43/1108147543.db2.gz FUCZOZPXRWETGN-IBGZPJMESA-N 1 1 332.444 2.711 20 10 EFCDMO CC(C)CN1CC[C@@]2(CCC[N@@H+](Cc3cc(O)ccc3O)CC2)C1=O ZINC001272385880 1108148342 /nfs/dbraw/zinc/14/83/42/1108148342.db2.gz GUNAZEGDYNXHLX-FQEVSTJZSA-N 1 1 346.471 2.958 20 10 EFCDMO O=C1N(CC2CCCC2)CC[C@]12CCC[N@@H+]2Cc1cc(O)ccc1O ZINC001272386202 1108148838 /nfs/dbraw/zinc/14/88/38/1108148838.db2.gz BXZZOLBJPBOAAZ-HXUWFJFHSA-N 1 1 344.455 2.855 20 10 EFCDMO CN(C)c1ccc([C@H](CNCc2ccnn2CC2CC2)[NH+](C)C)cc1 ZINC000898448172 1108942204 /nfs/dbraw/zinc/94/22/04/1108942204.db2.gz QHKLRXLPLXRTET-FQEVSTJZSA-N 1 1 341.503 2.752 20 10 EFCDMO CN(C)c1ccc([C@H](C[NH2+]Cc2ncc(Cl)n2C)N(C)C)cc1 ZINC000898449377 1108942633 /nfs/dbraw/zinc/94/26/33/1108942633.db2.gz CZHGVNDFNHNKGL-HNNXBMFYSA-N 1 1 335.883 2.532 20 10 EFCDMO COc1ccc(CNC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)nc1 ZINC000898448937 1108942655 /nfs/dbraw/zinc/94/26/55/1108942655.db2.gz ZIWOQVZGXCQHMB-IBGZPJMESA-N 1 1 328.460 2.549 20 10 EFCDMO CN(C)c1ccc([C@H](CN[C@H](c2nccn2C)C2CC2)[NH+](C)C)cc1 ZINC000898448726 1108942773 /nfs/dbraw/zinc/94/27/73/1108942773.db2.gz VQBKLNIRIDHKLB-OALUTQOASA-N 1 1 341.503 2.830 20 10 EFCDMO CN(C)c1ccc([C@H](CN[C@@H](c2nccn2C)C2CC2)[NH+](C)C)cc1 ZINC000898448727 1108943335 /nfs/dbraw/zinc/94/33/35/1108943335.db2.gz VQBKLNIRIDHKLB-RBUKOAKNSA-N 1 1 341.503 2.830 20 10 EFCDMO CN(C)c1ccc([C@H](CNCc2cnc(C3CC3)nc2)[NH+](C)C)cc1 ZINC000898450893 1108943749 /nfs/dbraw/zinc/94/37/49/1108943749.db2.gz VAOYMMHDHVZWFA-IBGZPJMESA-N 1 1 339.487 2.813 20 10 EFCDMO COc1cccc(CNC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)n1 ZINC000898450076 1108943797 /nfs/dbraw/zinc/94/37/97/1108943797.db2.gz MUWAFWXOGSMNDY-GOSISDBHSA-N 1 1 328.460 2.549 20 10 EFCDMO CN(C)c1ccc([C@H](C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)N(C)C)cc1 ZINC000898450136 1108944115 /nfs/dbraw/zinc/94/41/15/1108944115.db2.gz OGYWDEGGMCDWRT-IHPCNDPISA-N 1 1 330.520 2.572 20 10 EFCDMO CN(C)c1ccc([C@H](C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)N(C)C)cc1 ZINC000898450136 1108944117 /nfs/dbraw/zinc/94/41/17/1108944117.db2.gz OGYWDEGGMCDWRT-IHPCNDPISA-N 1 1 330.520 2.572 20 10 EFCDMO C[C@H](O)c1ncc(CNC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)s1 ZINC000898449930 1108944233 /nfs/dbraw/zinc/94/42/33/1108944233.db2.gz LWHHWGPXIPCJJW-GUYCJALGSA-N 1 1 348.516 2.655 20 10 EFCDMO CC(C)[N@@H+](C)CC(=O)n1c(=N)ccc(/N=N/c2ccccc2)c1N ZINC001142582792 1109021937 /nfs/dbraw/zinc/02/19/37/1109021937.db2.gz GJMGNSDQLPCOHK-OYVOPSJISA-N 1 1 326.404 2.946 20 10 EFCDMO Oc1c(Br)cccc1C[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000179371511 1109067159 /nfs/dbraw/zinc/06/71/59/1109067159.db2.gz ZHHSXWQQNXYTSD-LBPRGKRZSA-N 1 1 342.233 2.740 20 10 EFCDMO Oc1c(Br)cccc1C[N@H+]1CCC[C@H](C2OCCO2)C1 ZINC000179371511 1109067165 /nfs/dbraw/zinc/06/71/65/1109067165.db2.gz ZHHSXWQQNXYTSD-LBPRGKRZSA-N 1 1 342.233 2.740 20 10 EFCDMO Oc1c(Br)cc(Cl)cc1CN1CCC[C@@H]2[NH2+]C[C@@H]21 ZINC001235297068 1111726295 /nfs/dbraw/zinc/72/62/95/1111726295.db2.gz LKGGPTSCVYCXTQ-RYUDHWBXSA-N 1 1 331.641 2.744 20 10 EFCDMO [O-]c1c(Br)cc(F)cc1C[N@@H+]1CCC[C@H](CCO)C1 ZINC001235303158 1111732178 /nfs/dbraw/zinc/73/21/78/1111732178.db2.gz LPAAPHDELUZUSW-SNVBAGLBSA-N 1 1 332.213 2.888 20 10 EFCDMO Cc1ccc(O)c(C[N@H+]2CCCC[C@]23CC(=O)N(CC(F)F)C3)c1 ZINC001272622740 1111760144 /nfs/dbraw/zinc/76/01/44/1111760144.db2.gz QKFOMLDTFHFMHG-GOSISDBHSA-N 1 1 338.398 2.923 20 10 EFCDMO CCCCN1C(=O)C[C@]2(CCC[N@@H+](Cc3cc(C)ccc3O)C2)C1=O ZINC001272623016 1111761314 /nfs/dbraw/zinc/76/13/14/1111761314.db2.gz VCTLTELUYGFABS-FQEVSTJZSA-N 1 1 344.455 2.842 20 10 EFCDMO COCCCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cc(C)ccc1O ZINC001272623099 1111761571 /nfs/dbraw/zinc/76/15/71/1111761571.db2.gz WTYFJFUDUOUQPC-HXUWFJFHSA-N 1 1 346.471 2.694 20 10 EFCDMO CC[C@H](C)N1CC[C@]2(CC[N@@H+](Cc3ccc(OC)cc3O)C2)C1=O ZINC001272625288 1111764166 /nfs/dbraw/zinc/76/41/66/1111764166.db2.gz JWBROZOTCAYNKF-LIRRHRJNSA-N 1 1 332.444 2.624 20 10 EFCDMO COc1ccc(O)c(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3C2CCCC2)c1 ZINC001272636874 1111786522 /nfs/dbraw/zinc/78/65/22/1111786522.db2.gz HACKBSHMZWCQJR-QZTJIDSGSA-N 1 1 344.455 2.909 20 10 EFCDMO CCCCN1CC[C@]2(CCC[N@H+]2Cc2cc(OC)ccc2O)C1=O ZINC001272637378 1111787265 /nfs/dbraw/zinc/78/72/65/1111787265.db2.gz LOQUYRYKPPHMKM-LJQANCHMSA-N 1 1 332.444 2.768 20 10 EFCDMO COc1ccc(O)c(C[N@H+]2CCC[C@]23CCN(CC(C)C)C3=O)c1 ZINC001272639288 1111798927 /nfs/dbraw/zinc/79/89/27/1111798927.db2.gz YEDKNKWBNXOKGF-LJQANCHMSA-N 1 1 332.444 2.624 20 10 EFCDMO CC[C@H](C)N1CC[C@@]2(CCC[N@H+]2Cc2ccc(O)c(C)c2O)C1=O ZINC001272658100 1111934840 /nfs/dbraw/zinc/93/48/40/1111934840.db2.gz VMLMNZAZSRAHPO-DJJJIMSYSA-N 1 1 332.444 2.772 20 10 EFCDMO CCC[N@H+]1CC[C@@H](NC(=O)c2cc(OC)nc(OC)c2)CC(C)(C)C1 ZINC001089430296 1112124211 /nfs/dbraw/zinc/12/42/11/1112124211.db2.gz KCVHNXRKYUSPRW-OAHLLOKOSA-N 1 1 349.475 2.729 20 10 EFCDMO CCO[C@H](CC)C(=O)NCCC1=CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC001089810394 1113086256 /nfs/dbraw/zinc/08/62/56/1113086256.db2.gz MTJPVPLEAJMBRH-QGZVFWFLSA-N 1 1 346.475 2.551 20 10 EFCDMO Cc1cc(Br)c(O)c(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001236669602 1113087839 /nfs/dbraw/zinc/08/78/39/1113087839.db2.gz PDUQIZAMMNOHTF-BETUJISGSA-N 1 1 325.250 2.742 20 10 EFCDMO CCc1cc(N2CC=C(CCNC(=O)/C=C/C3CC3)CC2)nc(C)[nH+]1 ZINC001089817276 1117770251 /nfs/dbraw/zinc/77/02/51/1117770251.db2.gz LJKMYZZKJFSWIA-VOTSOKGWSA-N 1 1 340.471 2.956 20 10 EFCDMO COc1cc(C[N@H+]2CC[C@@]3(CCOC3)C2)c(O)cc1Br ZINC001236749191 1117885170 /nfs/dbraw/zinc/88/51/70/1117885170.db2.gz ZWUWRDZSSXKYNY-OAHLLOKOSA-N 1 1 342.233 2.776 20 10 EFCDMO Cc1cc(N2CC=C(CCNC(=O)CCC3CC3)CC2)nc(C)[nH+]1 ZINC001089823055 1117943245 /nfs/dbraw/zinc/94/32/45/1117943245.db2.gz VQDHKARURYCWAO-UHFFFAOYSA-N 1 1 328.460 2.926 20 10 EFCDMO Cc1cc(N2CC=C(CCNC(=O)[C@@H]3CC3(C)C)CC2)nc(C)[nH+]1 ZINC001089825983 1117949627 /nfs/dbraw/zinc/94/96/27/1117949627.db2.gz OMUNHXDVMSTUEX-INIZCTEOSA-N 1 1 328.460 2.782 20 10 EFCDMO C[C@@H]1C[C@H]1C[N@H+]1CC[C@]2(CCN(Cc3ccc(N(C)C)cc3)C2=O)C1 ZINC001272700112 1118430847 /nfs/dbraw/zinc/43/08/47/1118430847.db2.gz RUTTUCOQYCFUTC-MMOPVJDHSA-N 1 1 341.499 2.833 20 10 EFCDMO CCc1cc(N2CC=C(CCNC(=O)C3(C)CC3)CC2)nc(C)[nH+]1 ZINC001089866970 1118911353 /nfs/dbraw/zinc/91/13/53/1118911353.db2.gz XBVHEUMRQSXBCO-UHFFFAOYSA-N 1 1 328.460 2.790 20 10 EFCDMO CC(C)c1ccnc(N2CC[NH+](Cc3cc(F)ccc3O)CC2)n1 ZINC000185657443 1120405057 /nfs/dbraw/zinc/40/50/57/1120405057.db2.gz OJGZNYNGRVIZGF-UHFFFAOYSA-N 1 1 330.407 2.767 20 10 EFCDMO C[C@H]1C[N@@H+](CC2CC2)CC[C@@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000945223767 1120682767 /nfs/dbraw/zinc/68/27/67/1120682767.db2.gz QEYOOODLQRKDOW-LRDDRELGSA-N 1 1 343.431 2.699 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CC[N@H+](Cc1ccc(N2CCCCC2)cc1)[C@H](C)CS(C)(=O)=O ZINC000093390117 473099771 /nfs/dbraw/zinc/09/97/71/473099771.db2.gz IWULMFDWNJCOCN-MRXNPFEDSA-N 1 1 338.517 2.932 20 10 EFCDMO CC[N@@H+](Cc1ccc(N2CCCCC2)cc1)[C@H](C)CS(C)(=O)=O ZINC000093390117 473099777 /nfs/dbraw/zinc/09/97/77/473099777.db2.gz IWULMFDWNJCOCN-MRXNPFEDSA-N 1 1 338.517 2.932 20 10 EFCDMO C[N@@H+](CCCO)C1CCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000093394711 473100552 /nfs/dbraw/zinc/10/05/52/473100552.db2.gz FVZROGRTPRVWIT-UHFFFAOYSA-N 1 1 345.531 2.956 20 10 EFCDMO OCCC[N@@H+](Cc1cc2c(cc1O)OCO2)[C@H]1CCc2ccccc21 ZINC000093389308 473101288 /nfs/dbraw/zinc/10/12/88/473101288.db2.gz WDHLMRGMAKLSKW-KRWDZBQOSA-N 1 1 341.407 2.993 20 10 EFCDMO CCN(CC)c1ccc(C[N@H+](C)[C@H](C)[C@@H](C)S(C)(=O)=O)cc1F ZINC000093420580 473105063 /nfs/dbraw/zinc/10/50/63/473105063.db2.gz AILXYBNXTAQGNJ-ZIAGYGMSSA-N 1 1 344.496 2.925 20 10 EFCDMO CCN(CC)c1ccc(C[N@@H+](C)[C@H](C)[C@@H](C)S(C)(=O)=O)cc1F ZINC000093420580 473105067 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EFCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@H](CN3CCOCC3)C2)cc1 ZINC000093665345 473132310 /nfs/dbraw/zinc/13/23/10/473132310.db2.gz HTHAJSAVSXXADM-LJQANCHMSA-N 1 1 331.504 2.687 20 10 EFCDMO CC[C@H](O)C[N@@H+](Cc1ccccc1)Cc1cc2c(cc1O)OCO2 ZINC000093688165 473135609 /nfs/dbraw/zinc/13/56/09/473135609.db2.gz HZPIHUCFHOANQD-INIZCTEOSA-N 1 1 329.396 2.894 20 10 EFCDMO CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000066700364 473141564 /nfs/dbraw/zinc/14/15/64/473141564.db2.gz FNUTVCFIWJDGLS-IAGOWNOFSA-N 1 1 331.460 2.941 20 10 EFCDMO CC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000093770190 473142758 /nfs/dbraw/zinc/14/27/58/473142758.db2.gz LNEUGLAHCQUWMU-LLVKDONJSA-N 1 1 327.812 2.727 20 10 EFCDMO CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000093770190 473142763 /nfs/dbraw/zinc/14/27/63/473142763.db2.gz LNEUGLAHCQUWMU-LLVKDONJSA-N 1 1 327.812 2.727 20 10 EFCDMO CC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000093770190 473142771 /nfs/dbraw/zinc/14/27/71/473142771.db2.gz LNEUGLAHCQUWMU-LLVKDONJSA-N 1 1 327.812 2.727 20 10 EFCDMO CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000093770190 473142777 /nfs/dbraw/zinc/14/27/77/473142777.db2.gz LNEUGLAHCQUWMU-LLVKDONJSA-N 1 1 327.812 2.727 20 10 EFCDMO COc1cc(Br)cc(C[N@H+]2CC[C@]3(CCOC3)C2)c1O ZINC000093820038 473150891 /nfs/dbraw/zinc/15/08/91/473150891.db2.gz NBSXFTAEDZGDCW-HNNXBMFYSA-N 1 1 342.233 2.776 20 10 EFCDMO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccccc2O)c(OC)c1 ZINC000111235631 473197946 /nfs/dbraw/zinc/19/79/46/473197946.db2.gz OULTVLPUHVVVEF-ZDUSSCGKSA-N 1 1 344.411 2.868 20 10 EFCDMO C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1cc(Cl)ccc1[O-] ZINC000185414264 473420088 /nfs/dbraw/zinc/42/00/88/473420088.db2.gz XRVGJXHHXROGRG-DZGCQCFKSA-N 1 1 326.868 2.933 20 10 EFCDMO C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cc(Cl)ccc1[O-] ZINC000185414264 473420094 /nfs/dbraw/zinc/42/00/94/473420094.db2.gz XRVGJXHHXROGRG-DZGCQCFKSA-N 1 1 326.868 2.933 20 10 EFCDMO COc1ccc(O)c([C@@H](C)[NH2+]C2CCN(C[C@H]3CCOC3)CC2)c1 ZINC000185491882 473441392 /nfs/dbraw/zinc/44/13/92/473441392.db2.gz WKWDLRJFTDYQGI-HUUCEWRRSA-N 1 1 334.460 2.552 20 10 EFCDMO COc1cccc(C[NH+]2CCN([C@H](C)c3nccs3)CC2)c1O ZINC000185609376 473467225 /nfs/dbraw/zinc/46/72/25/473467225.db2.gz LJEGTFOVWNMMCC-CYBMUJFWSA-N 1 1 333.457 2.736 20 10 EFCDMO C[C@@H]1CCN(C(=O)c2cccc(O)c2O)CC[N@H+]1Cc1ccccc1 ZINC000185764169 473508462 /nfs/dbraw/zinc/50/84/62/473508462.db2.gz KGOOLEVCYNFSFH-OAHLLOKOSA-N 1 1 340.423 2.834 20 10 EFCDMO C[C@@H](CCN1CCN(C)CC1)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000185865034 473533470 /nfs/dbraw/zinc/53/34/70/473533470.db2.gz PXEHPHWGNZGBQK-IBGZPJMESA-N 1 1 344.547 2.793 20 10 EFCDMO C[C@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000152405461 473558951 /nfs/dbraw/zinc/55/89/51/473558951.db2.gz YPFHRAHNIDLRGB-JKSUJKDBSA-N 1 1 347.478 2.797 20 10 EFCDMO C[C@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000152405461 473558958 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20 10 EFCDMO CCOCCCN1CC[C@H]([NH2+]Cc2ccc(N(C)C)cc2)[C@H](C)C1 ZINC000115628913 473587982 /nfs/dbraw/zinc/58/79/82/473587982.db2.gz MBACJSZXEYGOCQ-XLIONFOSSA-N 1 1 333.520 2.979 20 10 EFCDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@H](C(=O)NCC3CC3)C2)c1 ZINC000179344114 473676985 /nfs/dbraw/zinc/67/69/85/473676985.db2.gz XPZJSMCDHFBVTH-HNNXBMFYSA-N 1 1 332.444 2.529 20 10 EFCDMO O=C(NC1CC1)[C@H]1CCC[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000179486386 473690797 /nfs/dbraw/zinc/69/07/97/473690797.db2.gz DEYFLHSSLWBKFK-LJQANCHMSA-N 1 1 327.472 2.920 20 10 EFCDMO O=C(c1ccc(F)cc1)N1CCC[N@H+](Cc2ccccc2O)CC1 ZINC000179573546 473695412 /nfs/dbraw/zinc/69/54/12/473695412.db2.gz RJDOOXCYTKITCI-UHFFFAOYSA-N 1 1 328.387 2.879 20 10 EFCDMO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H](C)CCN2CCN(C)CC2)cc1 ZINC000186591638 473696009 /nfs/dbraw/zinc/69/60/09/473696009.db2.gz OMSBEXDPIBWSKV-ZWKOTPCHSA-N 1 1 332.536 2.819 20 10 EFCDMO Cc1cc(Br)cc(C[N@H+]2CCC[C@H]2C(=O)N(C)C)c1O ZINC000179636805 473700902 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COC(=O)C[C@H]1CCC[N@H+]1Cc1cc(Br)ccc1O ZINC000179886970 473750313 /nfs/dbraw/zinc/75/03/13/473750313.db2.gz QHUXFEOMWWUSOG-GFCCVEGCSA-N 1 1 328.206 2.682 20 10 EFCDMO Cc1cccc(CN2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)c1O ZINC000179909600 473752121 /nfs/dbraw/zinc/75/21/21/473752121.db2.gz VWWQWTHQDYXKNR-QZTJIDSGSA-N 1 1 331.504 2.691 20 10 EFCDMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(Cc2cc(F)ccc2O)CC1 ZINC000180011616 473777230 /nfs/dbraw/zinc/77/72/30/473777230.db2.gz YCAHURPXAXCTBL-IYBDPMFKSA-N 1 1 335.467 2.522 20 10 EFCDMO COc1cccc(C[N@@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)c1O ZINC000193333866 473781480 /nfs/dbraw/zinc/78/14/80/473781480.db2.gz IANFMFNVTYYMPV-GASCZTMLSA-N 1 1 348.443 2.700 20 10 EFCDMO Cc1cc(C(=O)C[N@@H+]2CC[C@H](CO)C2)c(C)n1-c1cccc(F)c1 ZINC000269496368 473824692 /nfs/dbraw/zinc/82/46/92/473824692.db2.gz ZUWNWZYPIIHVPH-HNNXBMFYSA-N 1 1 330.403 2.730 20 10 EFCDMO Cc1cc(C(=O)C[N@H+]2CC[C@H](CO)C2)c(C)n1-c1cccc(F)c1 ZINC000269496368 473824700 /nfs/dbraw/zinc/82/47/00/473824700.db2.gz ZUWNWZYPIIHVPH-HNNXBMFYSA-N 1 1 330.403 2.730 20 10 EFCDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cccc(O)c1O ZINC000187153639 473826262 /nfs/dbraw/zinc/82/62/62/473826262.db2.gz MXNTVNKTFFGYGO-MRXNPFEDSA-N 1 1 340.423 2.692 20 10 EFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)c1 ZINC000274449002 473829009 /nfs/dbraw/zinc/82/90/09/473829009.db2.gz YKPNCVUTFLAHOS-OUENDJJVSA-N 1 1 331.412 2.787 20 10 EFCDMO CCc1nsc(N2CCC[N@@H+](Cc3cc(F)ccc3O)CC2)n1 ZINC000180250851 473839181 /nfs/dbraw/zinc/83/91/81/473839181.db2.gz ZHWBSAJDJXQQMG-UHFFFAOYSA-N 1 1 336.436 2.658 20 10 EFCDMO Oc1ccc(F)cc1C[N@H+]1CCOC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000180278728 473845384 /nfs/dbraw/zinc/84/53/84/473845384.db2.gz NPVNMGSXHHKXLE-PKOBYXMFSA-N 1 1 331.387 2.856 20 10 EFCDMO Oc1ccc(F)cc1C[N@@H+]1CCOC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000180278728 473845387 /nfs/dbraw/zinc/84/53/87/473845387.db2.gz NPVNMGSXHHKXLE-PKOBYXMFSA-N 1 1 331.387 2.856 20 10 EFCDMO Oc1ccc(F)cc1C[N@@H+]1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1 ZINC000281814303 473845584 /nfs/dbraw/zinc/84/55/84/473845584.db2.gz OBUBVXRVWHAUDE-QUCCMNQESA-N 1 1 342.414 2.617 20 10 EFCDMO CCOc1ccnc(N2CCC[N@@H+](Cc3cccc(C)c3O)CC2)n1 ZINC000180719023 473950479 /nfs/dbraw/zinc/95/04/79/473950479.db2.gz GFUXZGKLAZRJEH-UHFFFAOYSA-N 1 1 342.443 2.602 20 10 EFCDMO Cc1cc(C(=O)NC[C@H]2CC[N@H+](C)C2)c(C)n1-c1ccc(F)cc1 ZINC000264365107 473963711 /nfs/dbraw/zinc/96/37/11/473963711.db2.gz VVQRHSRUPILFNX-OAHLLOKOSA-N 1 1 329.419 2.915 20 10 EFCDMO O=C(Nc1ccccc1C[NH+]1CCSCC1)c1cccc(O)c1O ZINC000188320371 474058725 /nfs/dbraw/zinc/05/87/25/474058725.db2.gz XJVHXCHSAKYCTA-UHFFFAOYSA-N 1 1 344.436 2.899 20 10 EFCDMO Cc1cc(C)n(CC[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)n1 ZINC000264612034 474059075 /nfs/dbraw/zinc/05/90/75/474059075.db2.gz NZXZBBQMFZNYEP-SFHVURJKSA-N 1 1 329.444 2.887 20 10 EFCDMO O=C(NCC(F)(F)F)[C@@H]1CC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000275132693 474079370 /nfs/dbraw/zinc/07/93/70/474079370.db2.gz 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474453887 /nfs/dbraw/zinc/45/38/87/474453887.db2.gz LDNBMQDJAAFUGV-RTBURBONSA-N 1 1 341.407 2.558 20 10 EFCDMO Cn1ccnc1[C@H](O)[C@@H]1CCC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000271276125 474470821 /nfs/dbraw/zinc/47/08/21/474470821.db2.gz KYSTYXVQLNKAMJ-MLGOLLRUSA-N 1 1 335.835 2.725 20 10 EFCDMO Cn1ccnc1[C@@H](O)[C@@H]1CCC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000271276128 474471021 /nfs/dbraw/zinc/47/10/21/474471021.db2.gz KYSTYXVQLNKAMJ-WBMJQRKESA-N 1 1 335.835 2.725 20 10 EFCDMO COc1cccc(C[N@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)c1O ZINC000271406864 474530600 /nfs/dbraw/zinc/53/06/00/474530600.db2.gz WTSKYNAGVRQUEP-CQSZACIVSA-N 1 1 328.416 2.776 20 10 EFCDMO COc1cccc(C[N@@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)c1O ZINC000271406864 474530606 /nfs/dbraw/zinc/53/06/06/474530606.db2.gz WTSKYNAGVRQUEP-CQSZACIVSA-N 1 1 328.416 2.776 20 10 EFCDMO COc1cccc(C[N@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)c1O ZINC000271406864 474530610 /nfs/dbraw/zinc/53/06/10/474530610.db2.gz WTSKYNAGVRQUEP-CQSZACIVSA-N 1 1 328.416 2.776 20 10 EFCDMO C[NH+](C)C[C@@H](NCc1cc2c(cc1O)OCO2)c1ccc(F)cc1 ZINC000290062219 474544849 /nfs/dbraw/zinc/54/48/49/474544849.db2.gz HKGBGGVQZHSPQC-OAHLLOKOSA-N 1 1 332.375 2.653 20 10 EFCDMO CC(C)[C@H](C)NC(=O)C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000241775889 474558953 /nfs/dbraw/zinc/55/89/53/474558953.db2.gz RPYNJRYURCJDMH-DOTOQJQBSA-N 1 1 334.460 2.534 20 10 EFCDMO CC(C)[C@H](C)NC(=O)C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000241775889 474558959 /nfs/dbraw/zinc/55/89/59/474558959.db2.gz RPYNJRYURCJDMH-DOTOQJQBSA-N 1 1 334.460 2.534 20 10 EFCDMO COc1cc(C[N@@H+](Cc2cc3c(cc2O)OCO3)C2CC2)ccc1O ZINC000276750383 474570293 /nfs/dbraw/zinc/57/02/93/474570293.db2.gz KRRWHXMANAUABE-UHFFFAOYSA-N 1 1 343.379 3.000 20 10 EFCDMO CCCOc1ccc(C[N@H+]2CC[C@H](C(=O)N3CCCC3)C2)c(O)c1 ZINC000290425278 474570538 /nfs/dbraw/zinc/57/05/38/474570538.db2.gz LAWTUJZCLSVMHU-INIZCTEOSA-N 1 1 332.444 2.625 20 10 EFCDMO Oc1ccc(Br)cc1C[N@@H+]1CCCN(CC(F)F)CC1 ZINC000290427359 474570603 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ZINC000291272295 474599458 /nfs/dbraw/zinc/59/94/58/474599458.db2.gz NWIFEWRWEBSAQH-HXUWFJFHSA-N 1 1 327.424 2.927 20 10 EFCDMO OC[C@@H]1C[N@H+](Cc2cc(Br)ccc2O)CCC1(F)F ZINC000291318524 474599839 /nfs/dbraw/zinc/59/98/39/474599839.db2.gz SIQJKJLTPTXNCF-JTQLQIEISA-N 1 1 336.176 2.604 20 10 EFCDMO OC[C@@H]1C[N@@H+](Cc2cc(Br)ccc2O)CCC1(F)F ZINC000291318524 474599841 /nfs/dbraw/zinc/59/98/41/474599841.db2.gz SIQJKJLTPTXNCF-JTQLQIEISA-N 1 1 336.176 2.604 20 10 EFCDMO COc1ccc(O)c(C[N@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)c1 ZINC000272026713 474600363 /nfs/dbraw/zinc/60/03/63/474600363.db2.gz YFBOGXYROWGEBN-CYBMUJFWSA-N 1 1 328.416 2.776 20 10 EFCDMO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)c1 ZINC000272026713 474600368 /nfs/dbraw/zinc/60/03/68/474600368.db2.gz YFBOGXYROWGEBN-CYBMUJFWSA-N 1 1 328.416 2.776 20 10 EFCDMO COc1ccc(O)c(C[N@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)c1 ZINC000272026713 474600374 /nfs/dbraw/zinc/60/03/74/474600374.db2.gz YFBOGXYROWGEBN-CYBMUJFWSA-N 1 1 328.416 2.776 20 10 EFCDMO COc1ccc(O)c(C[N@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)c1 ZINC000272028120 474600550 /nfs/dbraw/zinc/60/05/50/474600550.db2.gz YFBOGXYROWGEBN-ZDUSSCGKSA-N 1 1 328.416 2.776 20 10 EFCDMO COc1ccc(O)c(C[N@@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)c1 ZINC000272028120 474600552 /nfs/dbraw/zinc/60/05/52/474600552.db2.gz YFBOGXYROWGEBN-ZDUSSCGKSA-N 1 1 328.416 2.776 20 10 EFCDMO COc1ccc(O)c(C[N@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)c1 ZINC000272028120 474600555 /nfs/dbraw/zinc/60/05/55/474600555.db2.gz YFBOGXYROWGEBN-ZDUSSCGKSA-N 1 1 328.416 2.776 20 10 EFCDMO COc1c(O)c(C[N@H+](C)CC2(O)CCCCCC2)ccc1[N+](=O)[O-] ZINC000278118302 474600962 /nfs/dbraw/zinc/60/09/62/474600962.db2.gz ATZLUSCYCWNHFY-UHFFFAOYSA-N 1 1 338.404 2.826 20 10 EFCDMO COc1c(O)c(C[N@@H+](C)CC2(O)CCCCCC2)ccc1[N+](=O)[O-] ZINC000278118302 474600968 /nfs/dbraw/zinc/60/09/68/474600968.db2.gz ATZLUSCYCWNHFY-UHFFFAOYSA-N 1 1 338.404 2.826 20 10 EFCDMO COc1c(O)c(C[N@H+](CCCO)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000278257192 474605667 /nfs/dbraw/zinc/60/56/67/474605667.db2.gz PZQGFWLFSNFNKW-UHFFFAOYSA-N 1 1 346.383 2.694 20 10 EFCDMO COc1c(O)c(C[N@@H+](CCCO)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000278257192 474605673 /nfs/dbraw/zinc/60/56/73/474605673.db2.gz PZQGFWLFSNFNKW-UHFFFAOYSA-N 1 1 346.383 2.694 20 10 EFCDMO Cc1ccnc(-c2n[nH]c([C@H](C)[NH2+]Cc3ccc4c(c3)CCO4)n2)c1 ZINC000278314428 474606650 /nfs/dbraw/zinc/60/66/50/474606650.db2.gz BEJZKDJHQUYSFS-ZDUSSCGKSA-N 1 1 335.411 2.961 20 10 EFCDMO COc1c(O)c(C[NH2+][C@H]2CCO[C@@H](CC(C)C)C2)ccc1[N+](=O)[O-] ZINC000278304565 474606877 /nfs/dbraw/zinc/60/68/77/474606877.db2.gz DHPXTGGBDALCJB-KBPBESRZSA-N 1 1 338.404 2.992 20 10 EFCDMO COCc1nc(C[NH2+]Cc2cc(Cl)cc(OC)c2O)cs1 ZINC000291511167 474607483 /nfs/dbraw/zinc/60/74/83/474607483.db2.gz IJGISEZVGIZVGY-UHFFFAOYSA-N 1 1 328.821 2.947 20 10 EFCDMO CCN(CC)c1ccc(CNC(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)cc1 ZINC000272440334 474611528 /nfs/dbraw/zinc/61/15/28/474611528.db2.gz KZCFLXMQZNTXBH-HKUYNNGSSA-N 1 1 344.503 2.768 20 10 EFCDMO O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272493776 474614571 /nfs/dbraw/zinc/61/45/71/474614571.db2.gz RXNQTZGUGZHJQY-UGAXZCSASA-N 1 1 338.407 2.502 20 10 EFCDMO C[C@@H](NC(=O)NCc1ccccc1O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000272721624 474624473 /nfs/dbraw/zinc/62/44/73/474624473.db2.gz JDDDUHVZKXEDST-ZBFHGGJFSA-N 1 1 331.460 2.844 20 10 EFCDMO COc1ccc(O)c(C[N@H+]2C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000278404533 474634835 /nfs/dbraw/zinc/63/48/35/474634835.db2.gz OWDZDXJHFGVQNI-IUODEOHRSA-N 1 1 336.432 2.746 20 10 EFCDMO COc1c(O)c(C[NH+]2CCC([C@@H]3CCCO3)CC2)ccc1[N+](=O)[O-] ZINC000278407081 474635394 /nfs/dbraw/zinc/63/53/94/474635394.db2.gz PDCVEJALNIIKDI-HNNXBMFYSA-N 1 1 336.388 2.700 20 10 EFCDMO C[C@@H](NC(=O)N(C)Cc1ccc(N(C)C)cc1)C1=CC[N@@H+](C)CC1 ZINC000272909095 474638897 /nfs/dbraw/zinc/63/88/97/474638897.db2.gz JJADULAQPBEMBB-OAHLLOKOSA-N 1 1 330.476 2.544 20 10 EFCDMO COc1cc(O)c(C[N@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)cc1OC ZINC000278438561 474644087 /nfs/dbraw/zinc/64/40/87/474644087.db2.gz VILXSHYYANXJLP-BMIGLBTASA-N 1 1 349.349 2.545 20 10 EFCDMO COc1c(O)c(C[NH2+][C@@H](CCO)C2CCCCC2)ccc1[N+](=O)[O-] ZINC000278470028 474653527 /nfs/dbraw/zinc/65/35/27/474653527.db2.gz GZZLPDLMSHSBHJ-AWEZNQCLSA-N 1 1 338.404 2.730 20 10 EFCDMO CCC(CC)(CC(=O)OC)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278494747 474662201 /nfs/dbraw/zinc/66/22/01/474662201.db2.gz MEGXYSDGHCAJKQ-UHFFFAOYSA-N 1 1 340.376 2.521 20 10 EFCDMO COc1c(O)c(C[NH2+][C@H]2C[C@H](OC(C)C)C2(C)C)ccc1[N+](=O)[O-] ZINC000278497997 474662711 /nfs/dbraw/zinc/66/27/11/474662711.db2.gz NARFQDYLXJZBTP-KBPBESRZSA-N 1 1 338.404 2.991 20 10 EFCDMO COc1c(O)c(C[NH2+][C@@H]2C[C@@H](OC(C)C)C2(C)C)ccc1[N+](=O)[O-] ZINC000278498006 474663776 /nfs/dbraw/zinc/66/37/76/474663776.db2.gz NARFQDYLXJZBTP-ZIAGYGMSSA-N 1 1 338.404 2.991 20 10 EFCDMO COc1c(O)c(C[NH2+]C[C@H](c2ccccc2)N(C)C)ccc1[N+](=O)[O-] ZINC000278510713 474671260 /nfs/dbraw/zinc/67/12/60/474671260.db2.gz PRXRRZKWGWWDTG-MRXNPFEDSA-N 1 1 345.399 2.702 20 10 EFCDMO COc1c(O)c(C[NH2+][C@H](C)C[C@@H](O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000278524529 474680014 /nfs/dbraw/zinc/68/00/14/474680014.db2.gz SWDZXDODAVAPNF-MLGOLLRUSA-N 1 1 346.383 2.911 20 10 EFCDMO COc1c(O)c(C[NH2+][C@H](C)C[C@H](O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000278524531 474680166 /nfs/dbraw/zinc/68/01/66/474680166.db2.gz SWDZXDODAVAPNF-WBMJQRKESA-N 1 1 346.383 2.911 20 10 EFCDMO CCO[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)C12CCC2 ZINC000278524537 474680499 /nfs/dbraw/zinc/68/04/99/474680499.db2.gz SWGPXIITPYNHCU-KBPBESRZSA-N 1 1 336.388 2.746 20 10 EFCDMO CC(=O)c1cc(Cl)cc(CN2CCC(F)(F)[C@@H](CO)C2)c1[O-] ZINC000291783551 474684407 /nfs/dbraw/zinc/68/44/07/474684407.db2.gz MJAURYKSNBXVQC-LLVKDONJSA-N 1 1 333.762 2.698 20 10 EFCDMO COc1c([O-])c(C[NH2+]CCC[N@H+]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000278563487 474704128 /nfs/dbraw/zinc/70/41/28/474704128.db2.gz BQLABCXFAPSHMU-CYBMUJFWSA-N 1 1 337.420 2.663 20 10 EFCDMO COc1c([O-])c(C[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000278563390 474704536 /nfs/dbraw/zinc/70/45/36/474704536.db2.gz BPBXFXUUPHLBSR-CYBMUJFWSA-N 1 1 337.420 2.519 20 10 EFCDMO CCCOc1ccc(CN2C[C@H](OC)C[C@H]2c2n[nH]c(C)n2)c(O)c1 ZINC000284691111 474725351 /nfs/dbraw/zinc/72/53/51/474725351.db2.gz ZBBFMFCFNNYERF-CVEARBPZSA-N 1 1 346.431 2.570 20 10 EFCDMO CCCC[N@H+](Cc1ccccc1O)C[C@H]1CCCS(=O)(=O)C1 ZINC000284765759 474759402 /nfs/dbraw/zinc/75/94/02/474759402.db2.gz MKRBCKBDENFSGZ-OAHLLOKOSA-N 1 1 325.474 2.819 20 10 EFCDMO C[C@H]([NH2+][C@H](CO)c1cnn(C)c1)c1cc(Cl)c(Cl)cc1O ZINC000278675520 474770319 /nfs/dbraw/zinc/77/03/19/474770319.db2.gz JMTCZLAHIYTGOB-ISVAXAHUSA-N 1 1 330.215 2.817 20 10 EFCDMO COc1cccc(C[N@H+]2CCC[C@@H](Oc3ncccc3F)C2)c1O ZINC000278699223 474781989 /nfs/dbraw/zinc/78/19/89/474781989.db2.gz PDDBQUNMOMXERF-CQSZACIVSA-N 1 1 332.375 2.978 20 10 EFCDMO CCCN(Cc1ccccc1O)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000268113585 474805281 /nfs/dbraw/zinc/80/52/81/474805281.db2.gz DCGGEVNBAGTGBW-WMLDXEAASA-N 1 1 331.460 2.797 20 10 EFCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCC(=O)NC2CCCCC2)c1 ZINC000273361058 474860197 /nfs/dbraw/zinc/86/01/97/474860197.db2.gz CZRCRPYTTHIPFA-CYBMUJFWSA-N 1 1 348.443 2.668 20 10 EFCDMO C[C@H]([NH2+]Cc1ccc(NS(C)(=O)=O)cc1)c1ccc(F)cc1O ZINC000273378233 474867709 /nfs/dbraw/zinc/86/77/09/474867709.db2.gz HQSOMMQSUHQMDQ-NSHDSACASA-N 1 1 338.404 2.754 20 10 EFCDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1cc2c(cc1O)OCO2 ZINC000285031776 474868849 /nfs/dbraw/zinc/86/88/49/474868849.db2.gz IJZGSIWWMDOSLO-UHFFFAOYSA-N 1 1 330.340 2.704 20 10 EFCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@@H](c2ccco2)N(C)C)c1 ZINC000273389021 474874949 /nfs/dbraw/zinc/87/49/49/474874949.db2.gz KGRIPUSPAVFMIJ-DOMZBBRYSA-N 1 1 332.400 2.725 20 10 EFCDMO Cc1ccc([C@H](C)[NH2+]C[C@H](C(C)C)N2CCN(C)CC2)c(O)c1C ZINC000273389265 474875307 /nfs/dbraw/zinc/87/53/07/474875307.db2.gz KIZBDRQAWKFXGP-PKOBYXMFSA-N 1 1 333.520 2.932 20 10 EFCDMO C[C@@H]([NH2+]C[C@@H](O)c1cnn(C)c1)c1cc(Cl)c(Cl)cc1O ZINC000278854495 474875661 /nfs/dbraw/zinc/87/56/61/474875661.db2.gz VWBPPOBUJNKCQN-XLKFXECMSA-N 1 1 330.215 2.817 20 10 EFCDMO COc1c(O)c(C[NH2+]CCO[C@H]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000278857095 474877358 /nfs/dbraw/zinc/87/73/58/474877358.db2.gz LMVBIIJCLTZYNF-WFASDCNBSA-N 1 1 338.404 2.994 20 10 EFCDMO COc1c(O)c(C[NH2+]CCc2cccc(F)c2F)ccc1[N+](=O)[O-] ZINC000278878677 474889542 /nfs/dbraw/zinc/88/95/42/474889542.db2.gz NXRCBIZFAQQRPX-UHFFFAOYSA-N 1 1 338.310 2.920 20 10 EFCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2cccc(NC(C)=O)c2)c1 ZINC000273443896 474900154 /nfs/dbraw/zinc/90/01/54/474900154.db2.gz ZIGUPJHYWARQLX-GFCCVEGCSA-N 1 1 342.395 2.988 20 10 EFCDMO C[C@H]([NH2+]Cc1nnc2n1CCC2)c1ccc(Br)cc1O ZINC000273441264 474900595 /nfs/dbraw/zinc/90/05/95/474900595.db2.gz YMBYHQYJTXVWRA-VIFPVBQESA-N 1 1 337.221 2.543 20 10 EFCDMO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C1=O)c1ccc(F)cc1O ZINC000273447711 474901082 /nfs/dbraw/zinc/90/10/82/474901082.db2.gz FIGXDRDUIGAHAS-SUMWQHHRSA-N 1 1 328.387 2.983 20 10 EFCDMO COc1c(O)c(C[NH2+]CCOc2ccccc2C)ccc1[N+](=O)[O-] ZINC000278902237 474905292 /nfs/dbraw/zinc/90/52/92/474905292.db2.gz REFVXSLRCABICN-UHFFFAOYSA-N 1 1 332.356 2.786 20 10 EFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@](C)(O)c2ccsc2)c1 ZINC000273469183 474915283 /nfs/dbraw/zinc/91/52/83/474915283.db2.gz FISGGTBITGMOFG-APPDUMDISA-N 1 1 335.425 2.799 20 10 EFCDMO COc1cc(O)c(C[N@H+]2CCC[C@](O)(C(F)(F)F)CC2)cc1OC ZINC000285237477 474940810 /nfs/dbraw/zinc/94/08/10/474940810.db2.gz VWRRHWKWWUPMIB-OAHLLOKOSA-N 1 1 349.349 2.689 20 10 EFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@](C)(O)c2ccc(F)cc2)c1 ZINC000273525990 474944642 /nfs/dbraw/zinc/94/46/42/474944642.db2.gz VGRAXNJBCDPHNJ-HXPMCKFVSA-N 1 1 347.386 2.876 20 10 EFCDMO C[C@@H]1C[N@H+](Cc2cc(Br)ccc2O)C[C@]2(CCOC2)O1 ZINC000279625268 474984135 /nfs/dbraw/zinc/98/41/35/474984135.db2.gz ABFHENVOVGAUJU-ABAIWWIYSA-N 1 1 342.233 2.535 20 10 EFCDMO C[C@@H]1C[N@@H+](Cc2cc(Br)ccc2O)C[C@]2(CCOC2)O1 ZINC000279625268 474984143 /nfs/dbraw/zinc/98/41/43/474984143.db2.gz ABFHENVOVGAUJU-ABAIWWIYSA-N 1 1 342.233 2.535 20 10 EFCDMO O=C(NC1CC1)N[C@@H]1CC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000273600290 474984895 /nfs/dbraw/zinc/98/48/95/474984895.db2.gz JFRCBBNLJSNRFH-OAHLLOKOSA-N 1 1 325.412 2.581 20 10 EFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@](C)(O)c2ccccc2)c1 ZINC000273606741 474987211 /nfs/dbraw/zinc/98/72/11/474987211.db2.gz UJHUIWPQHJKGON-DJJJIMSYSA-N 1 1 329.396 2.737 20 10 EFCDMO CC(C)NC(=O)C[N@H+](C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000279698195 474987731 /nfs/dbraw/zinc/98/77/31/474987731.db2.gz RNVYYMWUCKOWRF-UHFFFAOYSA-N 1 1 331.382 2.728 20 10 EFCDMO CC(C)NC(=O)C[N@@H+](C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000279698195 474987739 /nfs/dbraw/zinc/98/77/39/474987739.db2.gz RNVYYMWUCKOWRF-UHFFFAOYSA-N 1 1 331.382 2.728 20 10 EFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2cn3c(cccc3C)n2)c1 ZINC000273605891 474988007 /nfs/dbraw/zinc/98/80/07/474988007.db2.gz UAGYZEFUWHDBSD-ZDUSSCGKSA-N 1 1 339.395 2.986 20 10 EFCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@](C)(O)c2ccccc2)c1 ZINC000273606745 474988067 /nfs/dbraw/zinc/98/80/67/474988067.db2.gz UJHUIWPQHJKGON-YJYMSZOUSA-N 1 1 329.396 2.737 20 10 EFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2cn3cc(C)ccc3n2)c1 ZINC000273610481 474989001 /nfs/dbraw/zinc/98/90/01/474989001.db2.gz VSJJDEXDEWWHRF-ZDUSSCGKSA-N 1 1 339.395 2.986 20 10 EFCDMO C[C@@H](NC(=O)c1cccc(O)c1O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000279789555 474991309 /nfs/dbraw/zinc/99/13/09/474991309.db2.gz IMCVXJLWYRDKKJ-ZBFHGGJFSA-N 1 1 340.423 2.738 20 10 EFCDMO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)c1 ZINC000273622761 474993901 /nfs/dbraw/zinc/99/39/01/474993901.db2.gz ZOJGCTCLCDALJS-LSDHHAIUSA-N 1 1 334.460 2.950 20 10 EFCDMO CO[C@@]1(C)CCC[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000280314761 475019391 /nfs/dbraw/zinc/01/93/91/475019391.db2.gz GOBZPURYXIJKFJ-FQEVSTJZSA-N 1 1 347.503 2.602 20 10 EFCDMO C[C@@]1(C(N)=O)CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000280298662 475019919 /nfs/dbraw/zinc/01/99/19/475019919.db2.gz ORUVJSXYXHSREP-HXUWFJFHSA-N 1 1 340.423 2.669 20 10 EFCDMO CN(C)c1ccc(C[N@@H+](CCO)C2CCOCC2)c(C(F)(F)F)c1 ZINC000280616591 475038280 /nfs/dbraw/zinc/03/82/80/475038280.db2.gz PCRBWPKZIMJNMZ-UHFFFAOYSA-N 1 1 346.393 2.745 20 10 EFCDMO C[C@H](N[C@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(N2CCOCC2)c(F)c1 ZINC000268780999 475042322 /nfs/dbraw/zinc/04/23/22/475042322.db2.gz PTLAEUCFCQHRSE-ZAAXVRCTSA-N 1 1 347.478 2.940 20 10 EFCDMO C[C@H]([NH2+][C@H]1CCN2CCCC[C@H]12)c1ccc(N2CCOCC2)c(F)c1 ZINC000268780999 475042331 /nfs/dbraw/zinc/04/23/31/475042331.db2.gz PTLAEUCFCQHRSE-ZAAXVRCTSA-N 1 1 347.478 2.940 20 10 EFCDMO CCOc1cccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3CCOC)c1O ZINC000293978470 475060232 /nfs/dbraw/zinc/06/02/32/475060232.db2.gz KTBRJRZOKSGFKY-JWTNVVGKSA-N 1 1 348.487 2.865 20 10 EFCDMO CCOc1cccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3CCOC)c1O ZINC000293978470 475060248 /nfs/dbraw/zinc/06/02/48/475060248.db2.gz KTBRJRZOKSGFKY-JWTNVVGKSA-N 1 1 348.487 2.865 20 10 EFCDMO COC(=O)C[C@H]1CSCC[N@H+]1Cc1cc(Cl)cc(OC)c1O ZINC000273807401 475060784 /nfs/dbraw/zinc/06/07/84/475060784.db2.gz YDAOMAUALXTNGV-LBPRGKRZSA-N 1 1 345.848 2.535 20 10 EFCDMO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)[N@H+]2Cc2ccc(N(C)C)c(C)c2)O1 ZINC000294307842 475066202 /nfs/dbraw/zinc/06/62/02/475066202.db2.gz XHAHCNZEMULSNW-PIKADFDJSA-N 1 1 346.471 2.744 20 10 EFCDMO CN(C)C(=O)C[N@@H+](C)Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000294551945 475071610 /nfs/dbraw/zinc/07/16/10/475071610.db2.gz KWWIMLHEHVRPDG-UHFFFAOYSA-N 1 1 331.485 2.905 20 10 EFCDMO CNC(=O)CC[N@@H+](C)Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000295017547 475098700 /nfs/dbraw/zinc/09/87/00/475098700.db2.gz ZURVNQZZRIIVNS-UHFFFAOYSA-N 1 1 331.485 2.952 20 10 EFCDMO COC1CCN(c2ccc(C[N@H+]3CC[C@H](O)C(C)(C)C3)cc2)CC1 ZINC000295734546 475133310 /nfs/dbraw/zinc/13/33/10/475133310.db2.gz MHBDBUNAUYQRBO-IBGZPJMESA-N 1 1 332.488 2.895 20 10 EFCDMO CC[C@@H](c1ccncc1)[N@H+](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000299635309 476146345 /nfs/dbraw/zinc/14/63/45/476146345.db2.gz KEMAFZSIOOWIEG-IBGZPJMESA-N 1 1 340.471 2.847 20 10 EFCDMO CC[C@@H](c1ccncc1)[N@@H+](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000299635309 476146351 /nfs/dbraw/zinc/14/63/51/476146351.db2.gz KEMAFZSIOOWIEG-IBGZPJMESA-N 1 1 340.471 2.847 20 10 EFCDMO CCC[N@@H+](Cc1cc(=O)n2ccsc2n1)Cc1ccccc1O ZINC000299637672 476147068 /nfs/dbraw/zinc/14/70/68/476147068.db2.gz MJUSYBNRCHTQGU-UHFFFAOYSA-N 1 1 329.425 2.874 20 10 EFCDMO COc1cc(O)c(C[N@H+]2CCC[C@@H](c3nccn3C)C2)cc1OC ZINC000373225241 476386061 /nfs/dbraw/zinc/38/60/61/476386061.db2.gz DKYQRBMHQOZEDI-CYBMUJFWSA-N 1 1 331.416 2.523 20 10 EFCDMO Cc1cc(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c(C)n1-c1ccccn1 ZINC000373929783 476441202 /nfs/dbraw/zinc/44/12/02/476441202.db2.gz RYAWIQXISFLZJB-SJORKVTESA-N 1 1 338.455 2.846 20 10 EFCDMO CCOc1cccc(C[N@H+]2CCC[C@H]2C[C@H](O)c2cnn(C)c2)c1O ZINC000374256522 476463570 /nfs/dbraw/zinc/46/35/70/476463570.db2.gz NYKOLJFNJFATON-IRXDYDNUSA-N 1 1 345.443 2.613 20 10 EFCDMO COc1ccc(N2CCC[N@@H+](Cc3cnc([C@H](C)O)s3)CC2)cc1 ZINC000377619576 476477006 /nfs/dbraw/zinc/47/70/06/476477006.db2.gz VCUXWEZTPRXLAK-AWEZNQCLSA-N 1 1 347.484 2.917 20 10 EFCDMO COc1cc(O)c(C[N@@H+]2CCOc3cc(O)ccc3C2)cc1OC ZINC000377674518 476514208 /nfs/dbraw/zinc/51/42/08/476514208.db2.gz NSORDFILNUBERQ-UHFFFAOYSA-N 1 1 331.368 2.510 20 10 EFCDMO COc1cc(O)c(C[N@H+]2CCOc3cc(O)ccc3C2)cc1OC ZINC000377674518 476514214 /nfs/dbraw/zinc/51/42/14/476514214.db2.gz NSORDFILNUBERQ-UHFFFAOYSA-N 1 1 331.368 2.510 20 10 EFCDMO Cc1ccc(O)c(C[N@H+]2CCCC[C@@H]2COC(=O)N[C@H]2CCOC2)c1 ZINC000377689506 476522545 /nfs/dbraw/zinc/52/25/45/476522545.db2.gz CCVKEXHEDKNFCL-DLBZAZTESA-N 1 1 348.443 2.570 20 10 EFCDMO Cc1cccc(C[N@H+]2CCCC[C@@H]2COC(=O)N[C@H]2CCOC2)c1O ZINC000377720493 476545278 /nfs/dbraw/zinc/54/52/78/476545278.db2.gz LTYRYFUWTJWCBS-DLBZAZTESA-N 1 1 348.443 2.570 20 10 EFCDMO CC(=O)c1cc(F)cc(C[N@H+]2CC[C@](O)(c3ccc(F)cc3)C2)c1O ZINC000374891156 476575656 /nfs/dbraw/zinc/57/56/56/476575656.db2.gz BQZYMOFMXRZAEZ-LJQANCHMSA-N 1 1 347.361 2.967 20 10 EFCDMO COc1c(O)c(C[NH+]2CCC(c3c[nH]nc3C)CC2)ccc1[N+](=O)[O-] ZINC000375268799 476749544 /nfs/dbraw/zinc/74/95/44/476749544.db2.gz VZGPHCOUMOETNS-UHFFFAOYSA-N 1 1 346.387 2.720 20 10 EFCDMO OCCn1ncc2c1CCC[C@@H]2[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000370455171 476818222 /nfs/dbraw/zinc/81/82/22/476818222.db2.gz NQEYNDBDUXWMPG-ZDUSSCGKSA-N 1 1 339.798 2.541 20 10 EFCDMO Cc1ccccc1C[N@H+]1CCCN(C(=O)c2cccc(O)c2O)CC1 ZINC000375681483 476951043 /nfs/dbraw/zinc/95/10/43/476951043.db2.gz ZJGCPNATEDQBTC-UHFFFAOYSA-N 1 1 340.423 2.754 20 10 EFCDMO COc1c(O)c(C[NH2+]C[C@@]2(C)CCO[C@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000375734901 476977727 /nfs/dbraw/zinc/97/77/27/476977727.db2.gz YBCHYZPXDUSCQH-DLBZAZTESA-N 1 1 336.388 2.604 20 10 EFCDMO Cc1c[nH]nc1C[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000368092233 477783566 /nfs/dbraw/zinc/78/35/66/477783566.db2.gz ZVXLQSYTVULOEX-OAHLLOKOSA-N 1 1 334.851 2.831 20 10 EFCDMO C[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc(Cl)ccc1[O-] ZINC000368328340 477798169 /nfs/dbraw/zinc/79/81/69/477798169.db2.gz OXXABPXTZANBPC-UKRRQHHQSA-N 1 1 337.895 2.865 20 10 EFCDMO CC[N@H+]1CCC[C@H](NC(=O)NCc2c(C)c3ccccc3n2C)C1 ZINC000471716795 478009238 /nfs/dbraw/zinc/00/92/38/478009238.db2.gz OJRJRAXESXMFKQ-HNNXBMFYSA-N 1 1 328.460 2.770 20 10 EFCDMO Cc1c2ccccc2n(C)c1CNC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000472221146 478012196 /nfs/dbraw/zinc/01/21/96/478012196.db2.gz MLIYUAMEMZNOCG-DNVCBOLYSA-N 1 1 340.471 2.722 20 10 EFCDMO Cc1c2ccccc2n(C)c1CNC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000472221143 478012366 /nfs/dbraw/zinc/01/23/66/478012366.db2.gz MLIYUAMEMZNOCG-BEFAXECRSA-N 1 1 340.471 2.722 20 10 EFCDMO Cc1c2ccccc2n(C)c1CNC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000472242860 478014713 /nfs/dbraw/zinc/01/47/13/478014713.db2.gz PYQJZKUKSSPLLQ-INIZCTEOSA-N 1 1 342.487 2.970 20 10 EFCDMO CCn1nncc1C[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000527920065 478571700 /nfs/dbraw/zinc/57/17/00/478571700.db2.gz LKSRFVOGDQXQES-MRVPVSSYSA-N 1 1 343.200 2.756 20 10 EFCDMO OC[C@]1([NH2+]Cc2cc(Cl)c(F)cc2O)COc2ccccc2C1 ZINC000529644397 479234219 /nfs/dbraw/zinc/23/42/19/479234219.db2.gz NMWZBZAJSMSOAB-KRWDZBQOSA-N 1 1 337.778 2.641 20 10 EFCDMO Cc1nsc(N2CCC[N@@H+](Cc3cc(C)c(C)cc3O)CC2)n1 ZINC000173411891 534504736 /nfs/dbraw/zinc/50/47/36/534504736.db2.gz VRFKNYHSXUJVCM-UHFFFAOYSA-N 1 1 332.473 2.881 20 10 EFCDMO CC(=O)c1cc(F)cc(C[N@@H+]2CCCN(c3nccs3)CC2)c1O ZINC000177267878 527208676 /nfs/dbraw/zinc/20/86/76/527208676.db2.gz RWLKJCPZRLFIEC-UHFFFAOYSA-N 1 1 349.431 2.903 20 10 EFCDMO CC(=O)c1cc(F)cc(C[N@H+]2CCCN(c3nccs3)CC2)c1O ZINC000177267878 527208682 /nfs/dbraw/zinc/20/86/82/527208682.db2.gz RWLKJCPZRLFIEC-UHFFFAOYSA-N 1 1 349.431 2.903 20 10 EFCDMO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H](c3nc(C)no3)C2)c1O ZINC000177263046 527210428 /nfs/dbraw/zinc/21/04/28/527210428.db2.gz WQKUCCJWPLNXBE-GFCCVEGCSA-N 1 1 333.363 2.805 20 10 EFCDMO CCN(C(=O)c1cccc(O)c1O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000193163593 535700617 /nfs/dbraw/zinc/70/06/17/535700617.db2.gz BJWYZUDOSQXIFP-MRXNPFEDSA-N 1 1 340.423 2.834 20 10 EFCDMO COC1CCN(c2ccc(C[N@@H+](C)CCc3cnccn3)cc2)CC1 ZINC000296314078 536756656 /nfs/dbraw/zinc/75/66/56/536756656.db2.gz NVRTXORLNPGQTH-UHFFFAOYSA-N 1 1 340.471 2.766 20 10 EFCDMO COc1c(O)c(C[N@H+]2CCC[C@H](OCC3CC3)C2)ccc1[N+](=O)[O-] ZINC000365125340 536862452 /nfs/dbraw/zinc/86/24/52/536862452.db2.gz ZRXZONJZRCOJJP-AWEZNQCLSA-N 1 1 336.388 2.700 20 10 EFCDMO CN(C)c1cc(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)ccn1 ZINC000753997439 575373144 /nfs/dbraw/zinc/37/31/44/575373144.db2.gz DBMGVAHDIMPPKN-UHFFFAOYSA-N 1 1 340.471 2.616 20 10 EFCDMO CC[N@H+]1CCN(C(=O)c2cc(C)n(-c3ccccn3)c2C)C[C@@H]1C ZINC000754196596 575404975 /nfs/dbraw/zinc/40/49/75/575404975.db2.gz QHSMNUBMRKFKLZ-HNNXBMFYSA-N 1 1 326.444 2.655 20 10 EFCDMO Cc1cc(N(C)C)ccc1CNC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000754375997 575427107 /nfs/dbraw/zinc/42/71/07/575427107.db2.gz QCNJUTGUNMOCKG-CRAIPNDOSA-N 1 1 332.492 2.543 20 10 EFCDMO C[C@H]([NH2+]Cc1cccc(NS(C)(=O)=O)c1)c1ccc(F)cc1O ZINC000756382486 575727520 /nfs/dbraw/zinc/72/75/20/575727520.db2.gz DCMSRDFGZVDUCG-NSHDSACASA-N 1 1 338.404 2.754 20 10 EFCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(NC(N)=O)cc2)c1 ZINC000756394732 575730383 /nfs/dbraw/zinc/73/03/83/575730383.db2.gz ZRWXYXLJXFFQGI-LLVKDONJSA-N 1 1 343.383 2.520 20 10 EFCDMO C[C@H]([NH2+]CC(C)(C)N1CCN(C)CC1)c1cc2c(cc1O)CCCC2 ZINC000756399124 575730682 /nfs/dbraw/zinc/73/06/82/575730682.db2.gz MLTKFNFJRXPTPL-INIZCTEOSA-N 1 1 345.531 2.948 20 10 EFCDMO C[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1cc(Cl)ccc1[O-] ZINC000756399121 575730880 /nfs/dbraw/zinc/73/08/80/575730880.db2.gz MLIDQUBFNXSABH-ZDUSSCGKSA-N 1 1 325.884 2.722 20 10 EFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCCOCC(F)(F)F)c1 ZINC000756399733 575731090 /nfs/dbraw/zinc/73/10/90/575731090.db2.gz GDOYEMSKOXMFPY-JTQLQIEISA-N 1 1 335.322 2.798 20 10 EFCDMO COCCOc1ncccc1C[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000756430493 575738280 /nfs/dbraw/zinc/73/82/80/575738280.db2.gz IZWKVSYVULYINQ-LLVKDONJSA-N 1 1 338.354 2.941 20 10 EFCDMO COCCOc1ccc(C[NH2+][C@H](C)c2cc(F)cc(F)c2O)cn1 ZINC000756432500 575738469 /nfs/dbraw/zinc/73/84/69/575738469.db2.gz IXZPLTBWIUQDCY-LLVKDONJSA-N 1 1 338.354 2.941 20 10 EFCDMO CNC(=O)COc1cccc(C[NH2+][C@@H](C)c2ccc(F)cc2O)c1 ZINC000756435134 575738975 /nfs/dbraw/zinc/73/89/75/575738975.db2.gz WNDWJWZVWNKWRH-LBPRGKRZSA-N 1 1 332.375 2.507 20 10 EFCDMO CC[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)c1ccn(C)n1 ZINC000756456043 575742279 /nfs/dbraw/zinc/74/22/79/575742279.db2.gz FRSMFWJRIDUPOM-QGZVFWFLSA-N 1 1 346.450 2.761 20 10 EFCDMO C[C@H]([NH2+]C[C@@H](O)COc1ccc(F)cc1)c1cc(F)cc(F)c1O ZINC000756456491 575742288 /nfs/dbraw/zinc/74/22/88/575742288.db2.gz YBDPFGGGTCBZIP-GXFFZTMASA-N 1 1 341.329 2.900 20 10 EFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H](C)CN2CCC[C@H](C)C2)c1 ZINC000756458362 575742581 /nfs/dbraw/zinc/74/25/81/575742581.db2.gz LZWCTMCORZZYEN-KKUMJFAQSA-N 1 1 334.460 2.950 20 10 EFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2cccc3c2OCO3)c1 ZINC000756458224 575742626 /nfs/dbraw/zinc/74/26/26/575742626.db2.gz KMECJBYLXVVQMQ-NSHDSACASA-N 1 1 329.352 2.758 20 10 EFCDMO C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1cc(F)cc(F)c1[O-] ZINC000756531965 575756189 /nfs/dbraw/zinc/75/61/89/575756189.db2.gz BYRMZKVRKSCUFE-ZDUSSCGKSA-N 1 1 341.446 2.595 20 10 EFCDMO CCc1nn(C)c(OC)c1C[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000756664181 575774279 /nfs/dbraw/zinc/77/42/79/575774279.db2.gz MFDGGJRGXQPCLA-SECBINFHSA-N 1 1 325.359 2.826 20 10 EFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC000756672752 575775505 /nfs/dbraw/zinc/77/55/05/575775505.db2.gz QWKFBXDUUVIFIN-NSHDSACASA-N 1 1 330.340 2.938 20 10 EFCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCOC3(CCOCC3)C2)c1 ZINC000756766612 575785239 /nfs/dbraw/zinc/78/52/39/575785239.db2.gz XFPHWOYGAMXVON-UKRRQHHQSA-N 1 1 349.427 2.558 20 10 EFCDMO COC[C@@H](C[NH2+][C@H](C)c1cc(Br)c(F)cc1O)OC ZINC000757640200 575846906 /nfs/dbraw/zinc/84/69/06/575846906.db2.gz RTKAWNDFUDHQIJ-RKDXNWHRSA-N 1 1 336.201 2.606 20 10 EFCDMO CC(C)[N@H+]1CCCN(C(=O)NCCCSc2nccs2)CC1 ZINC000759590309 575905369 /nfs/dbraw/zinc/90/53/69/575905369.db2.gz IVVOCUHSYHCKEZ-UHFFFAOYSA-N 1 1 342.534 2.751 20 10 EFCDMO CCN(CC)c1ccc(C[N@@H+](C)[C@H](C)C(=O)NC[C@H]2CCCO2)cc1 ZINC000759643018 575914620 /nfs/dbraw/zinc/91/46/20/575914620.db2.gz KIRLXNWQKYFALV-VQIMIIECSA-N 1 1 347.503 2.648 20 10 EFCDMO CCN(CC)c1ccc(C[N@@H+](C)[C@@H](C)C(=O)NC[C@@H]2CCCO2)cc1 ZINC000759643008 575914648 /nfs/dbraw/zinc/91/46/48/575914648.db2.gz KIRLXNWQKYFALV-LPHOPBHVSA-N 1 1 347.503 2.648 20 10 EFCDMO C[C@H]([NH2+][C@@H](CO)CC(F)F)c1cc(Br)c(F)cc1O ZINC000760035631 575974273 /nfs/dbraw/zinc/97/42/73/575974273.db2.gz BZFNYFKKDQKHTJ-NKWVEPMBSA-N 1 1 342.155 2.961 20 10 EFCDMO CN(C)c1ccc(C[N@@H+](CC[C@H]2CCS(=O)(=O)C2)C2CC2)cc1 ZINC000760816510 576077086 /nfs/dbraw/zinc/07/70/86/576077086.db2.gz GODQGKCLNLJMBP-INIZCTEOSA-N 1 1 336.501 2.542 20 10 EFCDMO CN(C)c1ccc(CN(C(=O)C[N@@H+](C)[C@H]2CCSC2)C2CC2)cc1 ZINC000760888169 576085261 /nfs/dbraw/zinc/08/52/61/576085261.db2.gz RNRCWTLWHJWSMO-SFHVURJKSA-N 1 1 347.528 2.681 20 10 EFCDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@@H](N3CCCC3=O)C2)c1O ZINC000761199348 576128354 /nfs/dbraw/zinc/12/83/54/576128354.db2.gz LRKBRGACVHSNLP-CQSZACIVSA-N 1 1 338.835 2.641 20 10 EFCDMO C[NH+](C)[C@@H](C(=O)NCCc1ccc(O)c(O)c1)c1cccc(Cl)c1 ZINC000762274029 576283812 /nfs/dbraw/zinc/28/38/12/576283812.db2.gz GMJHEAQKKQOPEI-QGZVFWFLSA-N 1 1 348.830 2.713 20 10 EFCDMO C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1cc(F)cc(F)c1[O-] ZINC000762647145 576320989 /nfs/dbraw/zinc/32/09/89/576320989.db2.gz DPVROGFUQMUXLV-CHWSQXEVSA-N 1 1 328.403 2.822 20 10 EFCDMO C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1cc(F)cc(F)c1[O-] ZINC000762647145 576320990 /nfs/dbraw/zinc/32/09/90/576320990.db2.gz DPVROGFUQMUXLV-CHWSQXEVSA-N 1 1 328.403 2.822 20 10 EFCDMO C[C@H](NC[C@@]1(O)CC[N@H+](C)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000762789412 576331474 /nfs/dbraw/zinc/33/14/74/576331474.db2.gz UVGGYPFJCMFFMD-KXBFYZLASA-N 1 1 335.467 2.533 20 10 EFCDMO C[C@H](NC[C@@]1(O)CC[N@@H+](C)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000762789412 576331476 /nfs/dbraw/zinc/33/14/76/576331476.db2.gz UVGGYPFJCMFFMD-KXBFYZLASA-N 1 1 335.467 2.533 20 10 EFCDMO C[C@H]1C[N@H+](CCC[NH2+]Cc2cc(Cl)cc(F)c2[O-])CCCO1 ZINC000763659148 576384878 /nfs/dbraw/zinc/38/48/78/576384878.db2.gz HGMGSHWYURDXJK-LBPRGKRZSA-N 1 1 330.831 2.775 20 10 EFCDMO C[C@H]1C[N@@H+](CCC[NH2+]Cc2cc(Cl)cc(F)c2[O-])CCCO1 ZINC000763659148 576384882 /nfs/dbraw/zinc/38/48/82/576384882.db2.gz HGMGSHWYURDXJK-LBPRGKRZSA-N 1 1 330.831 2.775 20 10 EFCDMO CCN(CC)c1ccc(CNC(=O)C[N@@H+](C)[C@@H]2CCSC2)cc1 ZINC000763926431 576411127 /nfs/dbraw/zinc/41/11/27/576411127.db2.gz PVXYWUCCJZRNCB-QGZVFWFLSA-N 1 1 335.517 2.586 20 10 EFCDMO CC[C@@H]([NH2+]CC(C)(C)N1CCN(C)CC1)c1ccc(N(C)C)cc1 ZINC000764841943 576510590 /nfs/dbraw/zinc/51/05/90/576510590.db2.gz VSVIPVAOHQWKQA-LJQANCHMSA-N 1 1 332.536 2.819 20 10 EFCDMO C[C@H](N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(N2CCOCC2)cc1 ZINC000765039235 576539755 /nfs/dbraw/zinc/53/97/55/576539755.db2.gz SFYCCFAEDQBVQQ-QRFRQXIXSA-N 1 1 329.488 2.801 20 10 EFCDMO C[C@H](N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(N2CCOCC2)cc1 ZINC000765039235 576539758 /nfs/dbraw/zinc/53/97/58/576539758.db2.gz SFYCCFAEDQBVQQ-QRFRQXIXSA-N 1 1 329.488 2.801 20 10 EFCDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCc1ccccc1O ZINC000765313111 577031193 /nfs/dbraw/zinc/03/11/93/577031193.db2.gz BIFQAEXUJDZKGE-QAPCUYQASA-N 1 1 339.439 2.712 20 10 EFCDMO C[C@H]([NH2+]Cc1ncc(Cl)n1C)c1ccc(N2CCOCC2)cc1 ZINC000765626458 577060459 /nfs/dbraw/zinc/06/04/59/577060459.db2.gz IFISFBLZKMZOEM-ZDUSSCGKSA-N 1 1 334.851 2.761 20 10 EFCDMO CC[C@@H]([NH2+]Cc1cccc(Br)c1O)[C@@H](O)C(F)(F)F ZINC000765788810 577077470 /nfs/dbraw/zinc/07/74/70/577077470.db2.gz PQKWRYCOPWRSSZ-MWLCHTKSSA-N 1 1 342.155 2.946 20 10 EFCDMO 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CC[N@@H+](C)C[C@@H]1CCN(C(=O)NCc2ccc(N(C)C)cc2C)C1 ZINC000749198118 1268513794 /nfs/dbraw/zinc/51/37/94/1268513794.db2.gz BGIYGPAOGUDFAM-INIZCTEOSA-N 1 1 332.492 2.544 20 10 EFCDMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000738991698 1268623078 /nfs/dbraw/zinc/62/30/78/1268623078.db2.gz STNDCORPVRUZDX-LJQANCHMSA-N 1 1 344.503 2.551 20 10 EFCDMO COC[C@@]1(CO)CC[N@@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000825158185 1278455189 /nfs/dbraw/zinc/45/51/89/1278455189.db2.gz HDVJYLXJTMZGEV-INIZCTEOSA-N 1 1 346.393 2.602 20 10 EFCDMO CC(C)CN1CC[C@@]2(CCC[N@H+]2Cc2cc(F)c(F)cc2[O-])C1=O ZINC001273378872 1269276915 /nfs/dbraw/zinc/27/69/15/1269276915.db2.gz QKIDDKVEMGAMBP-SFHVURJKSA-N 1 1 338.398 2.893 20 10 EFCDMO CC(C)(C)OC(=O)N1C[C@@H]2CC[N@@H+](Cc3cc(F)ccc3O)[C@@H]2C1 ZINC000825294432 1278495504 /nfs/dbraw/zinc/49/55/04/1278495504.db2.gz QFONMCSEZWYHNK-SWLSCSKDSA-N 1 1 336.407 2.973 20 10 EFCDMO Cc1cc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)c(C)n1-c1ccccn1 ZINC000741725406 1269667487 /nfs/dbraw/zinc/66/74/87/1269667487.db2.gz UXWAXKBYIMOOFX-BBRMVZONSA-N 1 1 326.444 2.702 20 10 EFCDMO Cc1cccc(C[N@@H+](CCN2CCOCC2)Cc2ccco2)c1O ZINC000825305733 1278500619 /nfs/dbraw/zinc/50/06/19/1278500619.db2.gz QOLYHBPBDDBHIG-UHFFFAOYSA-N 1 1 330.428 2.628 20 10 EFCDMO CCN(C)c1ccc(C[NH+]2CCC(CN3CCOCC3)CC2)cc1 ZINC000741754868 1269690265 /nfs/dbraw/zinc/69/02/65/1269690265.db2.gz ZCDWQKFEZPHDJA-UHFFFAOYSA-N 1 1 331.504 2.687 20 10 EFCDMO Cn1ccnc1[C@@H]1C[C@H]([NH2+]Cc2c(O)ccc(Cl)c2F)CCO1 ZINC000825327809 1278508418 /nfs/dbraw/zinc/50/84/18/1278508418.db2.gz VGRRTPKWANXQPO-YGRLFVJLSA-N 1 1 339.798 2.928 20 10 EFCDMO CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1ccc(Br)cc1[O-] ZINC000825436535 1278564171 /nfs/dbraw/zinc/56/41/71/1278564171.db2.gz VTHVRYASQBVSDG-CQSZACIVSA-N 1 1 345.281 2.601 20 10 EFCDMO C[C@H]1CCC[N@@H+](CCNC(=O)NCc2c(O)ccc3c2CCCC3)C1 ZINC000743548374 1270627770 /nfs/dbraw/zinc/62/77/70/1270627770.db2.gz OUOSSNNPWAFACY-HNNXBMFYSA-N 1 1 345.487 2.802 20 10 EFCDMO C[N@@H+](CCNC(=O)NCc1c(O)ccc2c1CCCC2)C1CCCC1 ZINC000743592286 1270655743 /nfs/dbraw/zinc/65/57/43/1270655743.db2.gz YNISPYKGLQTVSN-UHFFFAOYSA-N 1 1 345.487 2.945 20 10 EFCDMO Oc1ccc(Cl)c(F)c1CN1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000792162154 1278575248 /nfs/dbraw/zinc/57/52/48/1278575248.db2.gz GNVCEAHMOOMLMR-CYBMUJFWSA-N 1 1 342.842 2.871 20 10 EFCDMO Oc1ccc(Cl)c(F)c1CN1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000792162154 1278575256 /nfs/dbraw/zinc/57/52/56/1278575256.db2.gz GNVCEAHMOOMLMR-CYBMUJFWSA-N 1 1 342.842 2.871 20 10 EFCDMO Cc1ccc([C@@H](O)C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000743839443 1270778944 /nfs/dbraw/zinc/77/89/44/1270778944.db2.gz XIEAODHLNOAWDQ-NRFANRHFSA-N 1 1 340.467 2.997 20 10 EFCDMO CCN(CC)c1ccc(CNC(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000745655333 1271552577 /nfs/dbraw/zinc/55/25/77/1271552577.db2.gz IGBNHGFRSUDTJF-RDJZCZTQSA-N 1 1 332.492 2.815 20 10 EFCDMO CCN(CC)c1ccc(CNC(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000745655330 1271552859 /nfs/dbraw/zinc/55/28/59/1271552859.db2.gz IGBNHGFRSUDTJF-DOTOQJQBSA-N 1 1 332.492 2.815 20 10 EFCDMO COc1cc(C(=O)N[C@H]2CCCC[N@@H+](CC=C(C)C)C2)cc(OC)n1 ZINC001034287895 1271567222 /nfs/dbraw/zinc/56/72/22/1271567222.db2.gz CPCZPGZQOFITGS-INIZCTEOSA-N 1 1 347.459 2.649 20 10 EFCDMO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)C2=CC(=O)CS2)CC1 ZINC000749296842 1272175126 /nfs/dbraw/zinc/17/51/26/1272175126.db2.gz HYTIBNZDHNRBOD-GFCCVEGCSA-N 1 1 331.441 2.804 20 10 EFCDMO CCc1nnc(C[NH2+]Cc2ccc(Br)cc2O)s1 ZINC000691487679 1274716728 /nfs/dbraw/zinc/71/67/28/1274716728.db2.gz HQDSXVSEJUXPFV-UHFFFAOYSA-N 1 1 328.235 2.858 20 10 EFCDMO C[NH+]1CCC(CC[NH2+]Cc2ccc(Br)cc2[O-])CC1 ZINC000691489379 1274723096 /nfs/dbraw/zinc/72/30/96/1274723096.db2.gz QRTCRPWJRIBPJY-UHFFFAOYSA-N 1 1 327.266 2.976 20 10 EFCDMO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)Cn1cc2[nH]cccc-2c1=O ZINC000785498153 1275100865 /nfs/dbraw/zinc/10/08/65/1275100865.db2.gz CSIQHDZVMJRJAX-UHFFFAOYSA-N 1 1 338.455 2.972 20 10 EFCDMO C[C@@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)[C@@H]1CO ZINC000785984227 1275265674 /nfs/dbraw/zinc/26/56/74/1275265674.db2.gz JYQMQZWEHCYZJT-RDTXWAMCSA-N 1 1 333.432 2.788 20 10 EFCDMO COc1ccc(N(C)CC[N@@H+](C)C[C@@H](O)c2ccc(F)cc2)cc1 ZINC000844399456 1278949188 /nfs/dbraw/zinc/94/91/88/1278949188.db2.gz JZNOEWBFSCNDLQ-LJQANCHMSA-N 1 1 332.419 2.936 20 10 EFCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@H](CO)Cc2ccccc2C)c1 ZINC000786580760 1275434764 /nfs/dbraw/zinc/43/47/64/1275434764.db2.gz CXOCERIHVPFSOC-PBHICJAKSA-N 1 1 343.423 2.741 20 10 EFCDMO CC(C)O[C@H]1CCC[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000844380757 1278956492 /nfs/dbraw/zinc/95/64/92/1278956492.db2.gz YTRCVHAVUAETSJ-IBGZPJMESA-N 1 1 347.503 2.600 20 10 EFCDMO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1c([O-])ccc2ccncc21 ZINC000746644220 1275682728 /nfs/dbraw/zinc/68/27/28/1275682728.db2.gz ASNXLNRPJWASJD-XFQXTVEOSA-N 1 1 341.455 2.624 20 10 EFCDMO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1c([O-])ccc2ccncc21 ZINC000746644220 1275682734 /nfs/dbraw/zinc/68/27/34/1275682734.db2.gz ASNXLNRPJWASJD-XFQXTVEOSA-N 1 1 341.455 2.624 20 10 EFCDMO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1Cc1cc(Cl)cc(F)c1O ZINC000787301466 1275750548 /nfs/dbraw/zinc/75/05/48/1275750548.db2.gz CVEBSTNDLNDWPC-GFCCVEGCSA-N 1 1 342.842 2.870 20 10 EFCDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1Cc1cc(Cl)cc(F)c1O ZINC000787301466 1275750554 /nfs/dbraw/zinc/75/05/54/1275750554.db2.gz CVEBSTNDLNDWPC-GFCCVEGCSA-N 1 1 342.842 2.870 20 10 EFCDMO COC(=O)[C@H]1CC[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2O)[C@H]1C ZINC000787326941 1275757488 /nfs/dbraw/zinc/75/74/88/1275757488.db2.gz KDRLTYKOYUFKRF-ZANVPECISA-N 1 1 325.792 2.632 20 10 EFCDMO CCN(CC)c1ccc(CNC(=O)[C@@H]2CCC[N@H+]2C2CC2)cc1F ZINC000787343062 1275762929 /nfs/dbraw/zinc/76/29/29/1275762929.db2.gz YAIMKBRBFXYRNS-SFHVURJKSA-N 1 1 333.451 2.915 20 10 EFCDMO CCN(CC)c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)cc1F ZINC000787425324 1275771970 /nfs/dbraw/zinc/77/19/70/1275771970.db2.gz VDFLCEKKHBSILN-RLFYNMQTSA-N 1 1 333.451 2.758 20 10 EFCDMO COc1ccc(O)c(CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)c1 ZINC000788299080 1276117724 /nfs/dbraw/zinc/11/77/24/1276117724.db2.gz OLMOAEPZACNCAN-KRWDZBQOSA-N 1 1 332.444 2.814 20 10 EFCDMO Cc1cc(C(=O)C[N@H+]2C[C@@H](O)C[C@H]2C)c(C)n1-c1cccc(F)c1 ZINC000788275206 1276125198 /nfs/dbraw/zinc/12/51/98/1276125198.db2.gz KASRQMAEGWDEOF-PXAZEXFGSA-N 1 1 330.403 2.871 20 10 EFCDMO Cc1cc(C(=O)C[N@@H+]2C[C@@H](O)C[C@H]2C)c(C)n1-c1cccc(F)c1 ZINC000788275206 1276125203 /nfs/dbraw/zinc/12/52/03/1276125203.db2.gz KASRQMAEGWDEOF-PXAZEXFGSA-N 1 1 330.403 2.871 20 10 EFCDMO CCN1CCN(c2ccc(C[NH2+][C@H](C)C(C)(C)OC)cc2F)CC1 ZINC000788592092 1276234837 /nfs/dbraw/zinc/23/48/37/1276234837.db2.gz AEACETVUBKXSAT-OAHLLOKOSA-N 1 1 337.483 2.871 20 10 EFCDMO COCCN1CC[C@@H]([NH2+][C@@H](C)c2cccc(C(F)(F)F)c2O)C1 ZINC000788596305 1276235845 /nfs/dbraw/zinc/23/58/45/1276235845.db2.gz YRTSZRUWRDAHPM-NWDGAFQWSA-N 1 1 332.366 2.782 20 10 EFCDMO CCN(CC)c1ccc(CN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1F ZINC000817903262 1276366916 /nfs/dbraw/zinc/36/69/16/1276366916.db2.gz LOJLNNLZJGNQBV-QXAKKESOSA-N 1 1 349.494 2.919 20 10 EFCDMO C[C@@H]1CCNC[C@@H]1[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000817901566 1276367262 /nfs/dbraw/zinc/36/72/62/1276367262.db2.gz WZSUNNCWLCZOOK-CPUCHLNUSA-N 1 1 339.430 2.844 20 10 EFCDMO CCOCCOCC[NH2+]Cc1cc(C)cc(Br)c1O ZINC000922943039 1276376905 /nfs/dbraw/zinc/37/69/05/1276376905.db2.gz BSLGDOLQRLUFEY-UHFFFAOYSA-N 1 1 332.238 2.606 20 10 EFCDMO C[C@@H](CC(=O)Nc1ccccc1)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817939064 1276385169 /nfs/dbraw/zinc/38/51/69/1276385169.db2.gz YKXJEMQDBNWJSB-HNAYVOBHSA-N 1 1 340.471 2.759 20 10 EFCDMO COc1ccc([C@H](C)[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)cc1O ZINC000817940329 1276386225 /nfs/dbraw/zinc/38/62/25/1276386225.db2.gz GBBQOKSYEXIJOD-GUYCJALGSA-N 1 1 329.444 2.817 20 10 EFCDMO C[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1ccc(Br)cc1[O-] ZINC000817976629 1276417070 /nfs/dbraw/zinc/41/70/70/1276417070.db2.gz PWOQKPHMLFRWQM-HZMBPMFUSA-N 1 1 325.250 2.947 20 10 EFCDMO C[C@@H](N[C@@H](C[NH3+])C1CCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000817983220 1276420913 /nfs/dbraw/zinc/42/09/13/1276420913.db2.gz ZRRHGWVHSIOOGV-KDOFPFPSSA-N 1 1 335.467 2.830 20 10 EFCDMO CCn1nc(C)c(C[NH2+][C@@H](C)c2cc(Br)ccc2O)n1 ZINC000818344851 1276511070 /nfs/dbraw/zinc/51/10/70/1276511070.db2.gz HJHXDIOVINDAMT-VIFPVBQESA-N 1 1 339.237 2.925 20 10 EFCDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000818978710 1276561018 /nfs/dbraw/zinc/56/10/18/1276561018.db2.gz ZGXYGRBCHZVYFN-INIZCTEOSA-N 1 1 326.444 2.655 20 10 EFCDMO COc1ccc(N2CC[C@@H](CNC(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)C2)cc1 ZINC000819583837 1276826507 /nfs/dbraw/zinc/82/65/07/1276826507.db2.gz AEHXWFAVNVZVGM-BBWFWOEESA-N 1 1 345.487 2.511 20 10 EFCDMO COC1CCN(c2ccc(C[N@H+]3C[C@@H](C)N(C)C[C@H]3C)cc2)CC1 ZINC000828597544 1287253579 /nfs/dbraw/zinc/25/35/79/1287253579.db2.gz HRZJJRJARUNEDJ-IAGOWNOFSA-N 1 1 331.504 2.826 20 10 EFCDMO COC1CCN(c2ccc(CN3C[C@@H](C)[N@H+](C)C[C@H]3C)cc2)CC1 ZINC000828597544 1287253585 /nfs/dbraw/zinc/25/35/85/1287253585.db2.gz HRZJJRJARUNEDJ-IAGOWNOFSA-N 1 1 331.504 2.826 20 10 EFCDMO COC1CCN(c2ccc(CN3C[C@@H](C)[N@@H+](C)C[C@H]3C)cc2)CC1 ZINC000828597544 1287253593 /nfs/dbraw/zinc/25/35/93/1287253593.db2.gz HRZJJRJARUNEDJ-IAGOWNOFSA-N 1 1 331.504 2.826 20 10 EFCDMO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000820489772 1277195682 /nfs/dbraw/zinc/19/56/82/1277195682.db2.gz ASHADFIISQDMND-CQSZACIVSA-N 1 1 343.431 2.653 20 10 EFCDMO CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CC[C@@H](N3CCCC3=O)C2)c1 ZINC000790462154 1277546061 /nfs/dbraw/zinc/54/60/61/1277546061.db2.gz UZLUUVKUEABLHM-OAHLLOKOSA-N 1 1 332.444 2.592 20 10 EFCDMO COc1cc(C[N@H+]2CC[C@H](N3CCCC3=O)C2)c(O)c(C(C)(C)C)c1 ZINC000790460821 1277546576 /nfs/dbraw/zinc/54/65/76/1277546576.db2.gz QFJVVYHCSCVFSN-HNNXBMFYSA-N 1 1 346.471 2.895 20 10 EFCDMO CC[C@H](CNC(=O)c1cccc(O)c1O)[N@H+]1CCc2ccccc2C1 ZINC000790533752 1277638058 /nfs/dbraw/zinc/63/80/58/1277638058.db2.gz ZINXMIHYGSVZLF-MRXNPFEDSA-N 1 1 340.423 2.665 20 10 EFCDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2cccc(O)c2O)C1 ZINC000790570245 1277653240 /nfs/dbraw/zinc/65/32/40/1277653240.db2.gz KQBKBHKCXPBOKG-DZGCQCFKSA-N 1 1 326.396 2.663 20 10 EFCDMO c1n[nH]c2cc(CC[NH2+]Cc3ccc(N4CCOCC4)cc3)ccc12 ZINC000790618514 1277700438 /nfs/dbraw/zinc/70/04/38/1277700438.db2.gz IMMCFHCHXOFBOF-UHFFFAOYSA-N 1 1 336.439 2.732 20 10 EFCDMO Cc1cc(C[N@@H+](C)[C@@H]2CCCC[C@H]2S(C)(=O)=O)ccc1N(C)C ZINC000815071021 1287295676 /nfs/dbraw/zinc/29/56/76/1287295676.db2.gz CMSQRAGMBSYBOL-QZTJIDSGSA-N 1 1 338.517 2.849 20 10 EFCDMO Cc1cc(C[N@@H+](C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)ccc1N(C)C ZINC000815071018 1287295795 /nfs/dbraw/zinc/29/57/95/1287295795.db2.gz CMSQRAGMBSYBOL-MSOLQXFVSA-N 1 1 338.517 2.849 20 10 EFCDMO CC1(C)C[N@@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C[C@@H]1O ZINC000790938724 1277856363 /nfs/dbraw/zinc/85/63/63/1277856363.db2.gz UIXQNWBCBSQBHB-KRWDZBQOSA-N 1 1 333.432 2.788 20 10 EFCDMO Oc1ccc(Cl)c(F)c1C[NH2+]C[C@@H](O)COc1cccc(F)c1 ZINC000790954717 1277876046 /nfs/dbraw/zinc/87/60/46/1277876046.db2.gz WRBTZYMQSKYXCN-LLVKDONJSA-N 1 1 343.757 2.853 20 10 EFCDMO CCO[C@H]1C[C@](CO)([NH2+]Cc2c(O)ccc(Cl)c2F)C1(C)C ZINC000790992500 1277894749 /nfs/dbraw/zinc/89/47/49/1277894749.db2.gz LYDSXRZJJJTZQQ-XJKSGUPXSA-N 1 1 331.815 2.840 20 10 EFCDMO CN(C)c1ccc(C[N@@H+](C)[C@@H]2CCCCNC2=O)c(C(F)(F)F)c1 ZINC000792796829 1279157583 /nfs/dbraw/zinc/15/75/83/1279157583.db2.gz DATJAIKMMFIXTB-OAHLLOKOSA-N 1 1 343.393 2.872 20 10 EFCDMO O=S1(=O)CCC[C@@H](C[N@H+](Cc2ccccc2O)C2CCCC2)C1 ZINC000792868366 1279202709 /nfs/dbraw/zinc/20/27/09/1279202709.db2.gz UMGCZSGFPNDGPH-HNNXBMFYSA-N 1 1 337.485 2.962 20 10 EFCDMO COc1ccc(CNC(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)c(O)c1 ZINC000792842816 1279211150 /nfs/dbraw/zinc/21/11/50/1279211150.db2.gz UOSKVDXXGCMBNQ-CQSZACIVSA-N 1 1 349.475 2.711 20 10 EFCDMO Cc1cc(Br)c(O)c(C[NH2+]CCc2nccnc2C)c1 ZINC000815155171 1287333271 /nfs/dbraw/zinc/33/32/71/1287333271.db2.gz XYVQGHUISNGALZ-UHFFFAOYSA-N 1 1 336.233 2.894 20 10 EFCDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCc1cc(Cl)ccc1O ZINC000844914280 1279334937 /nfs/dbraw/zinc/33/49/37/1279334937.db2.gz GJXFZHBZCJRUDR-STQMWFEESA-N 1 1 339.867 2.965 20 10 EFCDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)NCc1cc(Cl)ccc1O ZINC000844969247 1279366561 /nfs/dbraw/zinc/36/65/61/1279366561.db2.gz NOPIFXGBRJUTAO-CQSZACIVSA-N 1 1 325.840 2.719 20 10 EFCDMO COc1ccc(CNC(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)c(O)c1 ZINC000793106148 1279379452 /nfs/dbraw/zinc/37/94/52/1279379452.db2.gz GKQLBMWWSZBFQE-OAHLLOKOSA-N 1 1 349.475 2.568 20 10 EFCDMO Oc1cc(F)c(Br)cc1CN1CC[NH+](CC2CC2)CC1 ZINC001144300034 1279389092 /nfs/dbraw/zinc/38/90/92/1279389092.db2.gz PBBQFVCQPUNKEC-UHFFFAOYSA-N 1 1 343.240 2.821 20 10 EFCDMO Oc1cc(F)c(Br)cc1C[N@@H+]1CC[C@@H]2OCC[C@H]2C1 ZINC001144306581 1279404400 /nfs/dbraw/zinc/40/44/00/1279404400.db2.gz HTJDVYXZPUKUCJ-XPTSAGLGSA-N 1 1 330.197 2.905 20 10 EFCDMO Oc1cc(F)c(Br)cc1C[N@H+]1CC[C@@H]2OCC[C@H]2C1 ZINC001144306581 1279404414 /nfs/dbraw/zinc/40/44/14/1279404414.db2.gz HTJDVYXZPUKUCJ-XPTSAGLGSA-N 1 1 330.197 2.905 20 10 EFCDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)NCc2cc(Cl)ccc2O)C1 ZINC000845037911 1279407232 /nfs/dbraw/zinc/40/72/32/1279407232.db2.gz NRFZWTSVAXZQSG-CYBMUJFWSA-N 1 1 339.867 2.823 20 10 EFCDMO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC000845310749 1279568194 /nfs/dbraw/zinc/56/81/94/1279568194.db2.gz QWQKGRNZGZOAQF-KRWDZBQOSA-N 1 1 340.471 2.869 20 10 EFCDMO O=C(OCc1ccccc1)[C@@H]1CCC[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144500579 1279741256 /nfs/dbraw/zinc/74/12/56/1279741256.db2.gz VLCPFGODZSSHDI-INIZCTEOSA-N 1 1 343.379 2.511 20 10 EFCDMO C[C@@H]1C[N@@H+](Cc2c(O)cc(O)cc2O)[C@@H](C)CN1Cc1ccccc1 ZINC001144499876 1279741309 /nfs/dbraw/zinc/74/13/09/1279741309.db2.gz NIYTVFWLHTWJOV-CABCVRRESA-N 1 1 342.439 2.898 20 10 EFCDMO Fc1cc(C[N@H+]2CCC[C@H]2[C@H]2CCCO2)ccc1N1CCOCC1 ZINC000793608974 1279755385 /nfs/dbraw/zinc/75/53/85/1279755385.db2.gz MFHQGICPIDBYRR-RBUKOAKNSA-N 1 1 334.435 2.806 20 10 EFCDMO Oc1cc(O)c(C[N@@H+]2C[C@H]3[C@@H](CCN3Cc3ccccc3)C2)c(O)c1 ZINC001144509196 1279769532 /nfs/dbraw/zinc/76/95/32/1279769532.db2.gz ONJZSFFQLAJXRY-YJBOKZPZSA-N 1 1 340.423 2.510 20 10 EFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCc2ccc3c[nH]nc3c2)c1 ZINC000793575261 1279771824 /nfs/dbraw/zinc/77/18/24/1279771824.db2.gz VFOZTHZGJSPFGT-LBPRGKRZSA-N 1 1 339.395 2.948 20 10 EFCDMO CN1CCN(c2ccc(C[N@@H+]3CCC[C@@H]3[C@@H]3CCCO3)cc2)CC1 ZINC000793609688 1279772675 /nfs/dbraw/zinc/77/26/75/1279772675.db2.gz REFUQLMYSPVKKI-UXHICEINSA-N 1 1 329.488 2.582 20 10 EFCDMO CN1CCN(c2ccc(C[N@H+]3CCC[C@@H]3[C@@H]3CCCO3)cc2)CC1 ZINC000793609688 1279772682 /nfs/dbraw/zinc/77/26/82/1279772682.db2.gz REFUQLMYSPVKKI-UXHICEINSA-N 1 1 329.488 2.582 20 10 EFCDMO CCCc1noc([C@@H]2CCC[N@@H+](Cc3c(O)cc(O)cc3O)C2)n1 ZINC001144514745 1279774217 /nfs/dbraw/zinc/77/42/17/1279774217.db2.gz QQFRSRHIAXUOHG-LLVKDONJSA-N 1 1 333.388 2.519 20 10 EFCDMO Oc1cc(O)c(C[N@@H+]2CCO[C@H](c3ccc(F)c(F)c3)C2)c(O)c1 ZINC001144515053 1279776793 /nfs/dbraw/zinc/77/67/93/1279776793.db2.gz CQJGNWNVLHATEV-KRWDZBQOSA-N 1 1 337.322 2.655 20 10 EFCDMO Oc1cc(O)c(C[N@H+]2CCO[C@H](c3ccc(F)c(F)c3)C2)c(O)c1 ZINC001144515053 1279776801 /nfs/dbraw/zinc/77/68/01/1279776801.db2.gz CQJGNWNVLHATEV-KRWDZBQOSA-N 1 1 337.322 2.655 20 10 EFCDMO CC[C@H]1C[N@H+](Cc2ccc(N3CCN(C)CC3)cc2)[C@@H](CC)CO1 ZINC000846026759 1279986240 /nfs/dbraw/zinc/98/62/40/1279986240.db2.gz HFOZHTYOMCBDHH-ICSRJNTNSA-N 1 1 331.504 2.828 20 10 EFCDMO CC[C@H]1C[N@@H+](Cc2ccc(N3CCN(C)CC3)cc2)[C@@H](CC)CO1 ZINC000846026759 1279986242 /nfs/dbraw/zinc/98/62/42/1279986242.db2.gz HFOZHTYOMCBDHH-ICSRJNTNSA-N 1 1 331.504 2.828 20 10 EFCDMO COc1ccc(N(C)CC[N@@H+](C)Cc2cccc(OC)c2O)cc1 ZINC000846053214 1280003523 /nfs/dbraw/zinc/00/35/23/1280003523.db2.gz SYCIWMLCDFDQAU-UHFFFAOYSA-N 1 1 330.428 2.978 20 10 EFCDMO COC(=O)[C@@H]1C[N@@H+](Cc2cc(Cl)cc(OC)c2O)C[C@H]1C1CC1 ZINC000846121982 1280026238 /nfs/dbraw/zinc/02/62/38/1280026238.db2.gz FAXLKRDMNCFCBJ-UONOGXRCSA-N 1 1 339.819 2.685 20 10 EFCDMO COc1cccc([C@H](C)[NH2+]C2CCN([C@H]3CCCC[C@@H]3O)CC2)c1O ZINC000846155536 1280040731 /nfs/dbraw/zinc/04/07/31/1280040731.db2.gz HACBROKJOJPOSD-WBAXXEDZSA-N 1 1 348.487 2.819 20 10 EFCDMO CC[N@@H+](C)[C@H](C(=O)NCc1ccc(OC)cc1O)c1ccccc1 ZINC000794373147 1280157698 /nfs/dbraw/zinc/15/76/98/1280157698.db2.gz HSJBADJGDPQVPR-SFHVURJKSA-N 1 1 328.412 2.710 20 10 EFCDMO COc1ccc(CNC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)c(O)c1 ZINC000794387713 1280165549 /nfs/dbraw/zinc/16/55/49/1280165549.db2.gz KIYGEOYEFYCKNH-KRWDZBQOSA-N 1 1 348.830 2.973 20 10 EFCDMO CC[N@@H+](CC[C@H]1CCNC1=O)Cc1cc(Br)ccc1O ZINC000846809107 1280543776 /nfs/dbraw/zinc/54/37/76/1280543776.db2.gz MOLPRMPBIQRCCL-LLVKDONJSA-N 1 1 341.249 2.503 20 10 EFCDMO CCC[N@H+]1CCC[C@H]1CNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000806846610 1281156347 /nfs/dbraw/zinc/15/63/47/1281156347.db2.gz VAIHQSCSVIKCPS-IBGZPJMESA-N 1 1 342.487 2.736 20 10 EFCDMO O=C(COC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)c1ccc(O)c(O)c1 ZINC000815446417 1287508046 /nfs/dbraw/zinc/50/80/46/1287508046.db2.gz VTZLIYNLHQQINN-OAHLLOKOSA-N 1 1 347.411 2.621 20 10 EFCDMO O=C(COC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)c1ccc(O)c(O)c1 ZINC000815446417 1287508051 /nfs/dbraw/zinc/50/80/51/1287508051.db2.gz VTZLIYNLHQQINN-OAHLLOKOSA-N 1 1 347.411 2.621 20 10 EFCDMO CC(C)n1cc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)nn1 ZINC000808383763 1281686409 /nfs/dbraw/zinc/68/64/09/1281686409.db2.gz PPWXRSJKAPXKQO-OAHLLOKOSA-N 1 1 329.448 2.546 20 10 EFCDMO C[C@@H]([NH2+]Cc1ccc(N2CCN(C)CC2)cc1)[C@H](O)c1ccccc1 ZINC000808446914 1281715140 /nfs/dbraw/zinc/71/51/40/1281715140.db2.gz XLSUJIRPEMJJDE-UTKZUKDTSA-N 1 1 339.483 2.650 20 10 EFCDMO CN1CCN(c2ccc(C[NH2+]C[C@@H]3COc4ccccc43)cc2)CC1 ZINC000808451817 1281716252 /nfs/dbraw/zinc/71/62/52/1281716252.db2.gz YINLAFVHSWYHLY-GOSISDBHSA-N 1 1 337.467 2.704 20 10 EFCDMO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H](C)CN2CCN(C)CC2)c1O ZINC000808693295 1281846903 /nfs/dbraw/zinc/84/69/03/1281846903.db2.gz YOBCQLBAFBGGBQ-DZGCQCFKSA-N 1 1 339.911 2.888 20 10 EFCDMO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H](C)N2CCN(C)CC2)c1O ZINC000808690920 1281847346 /nfs/dbraw/zinc/84/73/46/1281847346.db2.gz GZHMBLUDVLXDHT-KGLIPLIRSA-N 1 1 325.884 2.641 20 10 EFCDMO CNC(=O)CC[N@@H+](C)Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000809567796 1282285792 /nfs/dbraw/zinc/28/57/92/1282285792.db2.gz QEPDLJYNWNKUJO-UHFFFAOYSA-N 1 1 337.467 2.817 20 10 EFCDMO CCN(CC)c1ccc(C[N@H+]2C[C@H](N3CCOCC3)C[C@@H]2C)cc1 ZINC000809700941 1282390478 /nfs/dbraw/zinc/39/04/78/1282390478.db2.gz RPXXTYQPIIYAET-FXAWDEMLSA-N 1 1 331.504 2.828 20 10 EFCDMO Cc1cc(Br)c(O)c(C[N@@H+](C)[C@H](CO)COC(C)C)c1 ZINC000809768940 1282431085 /nfs/dbraw/zinc/43/10/85/1282431085.db2.gz YXOKSDWQUVQSOD-CYBMUJFWSA-N 1 1 346.265 2.681 20 10 EFCDMO Cc1cc(Br)c(O)c(C[N@H+](C)[C@H](CO)COC(C)C)c1 ZINC000809768940 1282431090 /nfs/dbraw/zinc/43/10/90/1282431090.db2.gz YXOKSDWQUVQSOD-CYBMUJFWSA-N 1 1 346.265 2.681 20 10 EFCDMO Cc1cc(Br)cc(C[N@@H+](C)C[C@H](O)C(F)(F)F)c1O ZINC000809750813 1282454871 /nfs/dbraw/zinc/45/48/71/1282454871.db2.gz JBXUYCJTYRCQRG-JTQLQIEISA-N 1 1 342.155 2.818 20 10 EFCDMO COc1cccc(C[N@H+]2CCCC[C@@H]2COC(=O)NC(C)C)c1O ZINC000809721499 1282425312 /nfs/dbraw/zinc/42/53/12/1282425312.db2.gz ZBIDPGYOLUNJOU-OAHLLOKOSA-N 1 1 336.432 2.890 20 10 EFCDMO Cc1noc([C@@H]2CCC[N@@H+]2Cc2ccc(N3CCOCC3)cc2)n1 ZINC000809721561 1282425914 /nfs/dbraw/zinc/42/59/14/1282425914.db2.gz SSUQOVUIQKQWIS-KRWDZBQOSA-N 1 1 328.416 2.552 20 10 EFCDMO Cc1noc([C@@H]2CCC[N@H+]2Cc2ccc(N3CCOCC3)cc2)n1 ZINC000809721561 1282425920 /nfs/dbraw/zinc/42/59/20/1282425920.db2.gz SSUQOVUIQKQWIS-KRWDZBQOSA-N 1 1 328.416 2.552 20 10 EFCDMO COc1ccc(O)c(C[N@H+]2CCCC[C@@H]2COC(=O)NC(C)C)c1 ZINC000809720278 1282426181 /nfs/dbraw/zinc/42/61/81/1282426181.db2.gz CSBFSLHNHKHADP-OAHLLOKOSA-N 1 1 336.432 2.890 20 10 EFCDMO C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000809767656 1282431043 /nfs/dbraw/zinc/43/10/43/1282431043.db2.gz QHTWICGIPMOWDM-SMDDNHRTSA-N 1 1 339.823 2.870 20 10 EFCDMO C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000809767656 1282431051 /nfs/dbraw/zinc/43/10/51/1282431051.db2.gz QHTWICGIPMOWDM-SMDDNHRTSA-N 1 1 339.823 2.870 20 10 EFCDMO C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000809767656 1282431055 /nfs/dbraw/zinc/43/10/55/1282431055.db2.gz QHTWICGIPMOWDM-SMDDNHRTSA-N 1 1 339.823 2.870 20 10 EFCDMO C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000809767655 1282431440 /nfs/dbraw/zinc/43/14/40/1282431440.db2.gz QHTWICGIPMOWDM-RISCZKNCSA-N 1 1 339.823 2.870 20 10 EFCDMO C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000809767655 1282431445 /nfs/dbraw/zinc/43/14/45/1282431445.db2.gz QHTWICGIPMOWDM-RISCZKNCSA-N 1 1 339.823 2.870 20 10 EFCDMO C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000809767655 1282431448 /nfs/dbraw/zinc/43/14/48/1282431448.db2.gz QHTWICGIPMOWDM-RISCZKNCSA-N 1 1 339.823 2.870 20 10 EFCDMO C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000809767654 1282431515 /nfs/dbraw/zinc/43/15/15/1282431515.db2.gz QHTWICGIPMOWDM-FZMZJTMJSA-N 1 1 339.823 2.870 20 10 EFCDMO C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000809767654 1282431523 /nfs/dbraw/zinc/43/15/23/1282431523.db2.gz QHTWICGIPMOWDM-FZMZJTMJSA-N 1 1 339.823 2.870 20 10 EFCDMO C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000809767654 1282431529 /nfs/dbraw/zinc/43/15/29/1282431529.db2.gz QHTWICGIPMOWDM-FZMZJTMJSA-N 1 1 339.823 2.870 20 10 EFCDMO Cn1ccnc1[C@H]1CC[N@H+](Cc2cccc(Br)c2O)C1 ZINC000809755698 1282457257 /nfs/dbraw/zinc/45/72/57/1282457257.db2.gz BNYVNWXQJPMDDC-LBPRGKRZSA-N 1 1 336.233 2.878 20 10 EFCDMO Cn1ccnc1[C@H]1CC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000809755698 1282457263 /nfs/dbraw/zinc/45/72/63/1282457263.db2.gz BNYVNWXQJPMDDC-LBPRGKRZSA-N 1 1 336.233 2.878 20 10 EFCDMO C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cccc(Br)c1[O-] ZINC000809765542 1282464914 /nfs/dbraw/zinc/46/49/14/1282464914.db2.gz ODABAKIHHFSSTI-FZMZJTMJSA-N 1 1 327.266 2.927 20 10 EFCDMO C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cccc(Br)c1[O-] ZINC000809765542 1282464918 /nfs/dbraw/zinc/46/49/18/1282464918.db2.gz ODABAKIHHFSSTI-FZMZJTMJSA-N 1 1 327.266 2.927 20 10 EFCDMO C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cccc(Br)c1[O-] ZINC000809765542 1282464923 /nfs/dbraw/zinc/46/49/23/1282464923.db2.gz ODABAKIHHFSSTI-FZMZJTMJSA-N 1 1 327.266 2.927 20 10 EFCDMO C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cccc(Br)c1[O-] ZINC000809765542 1282464928 /nfs/dbraw/zinc/46/49/28/1282464928.db2.gz ODABAKIHHFSSTI-FZMZJTMJSA-N 1 1 327.266 2.927 20 10 EFCDMO C[C@H]([NH2+]CCN1CCO[C@H](C)C1)c1cccc(C(F)(F)F)c1O ZINC000815576496 1287608979 /nfs/dbraw/zinc/60/89/79/1287608979.db2.gz RNDXLLOMUAGRIE-NEPJUHHUSA-N 1 1 332.366 2.782 20 10 EFCDMO C[C@@H]([NH2+][C@@H](CO)C1CCOCC1)c1cccc(C(F)(F)F)c1O ZINC000815615723 1287638741 /nfs/dbraw/zinc/63/87/41/1287638741.db2.gz WBBRXSIUIFZZTA-YGRLFVJLSA-N 1 1 333.350 2.849 20 10 EFCDMO Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C2 ZINC000811186732 1284096868 /nfs/dbraw/zinc/09/68/68/1284096868.db2.gz WKLKXJBSAXRJDP-XJKSGUPXSA-N 1 1 326.444 2.697 20 10 EFCDMO OC[C@@H](CC(F)(F)F)[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715745015 1284323288 /nfs/dbraw/zinc/32/32/88/1284323288.db2.gz MLUDRYQSIURCQG-MRVPVSSYSA-N 1 1 346.118 2.697 20 10 EFCDMO CN(C)c1ccc(CNc2cccc(C[N@H+]3CC[C@@H](O)C3)c2)cc1 ZINC000812778285 1285410778 /nfs/dbraw/zinc/41/07/78/1285410778.db2.gz ISSQCAGLYZOPLO-HXUWFJFHSA-N 1 1 325.456 2.931 20 10 EFCDMO CCOc1ccc(O)c(CNc2cccc(C[N@H+]3CC[C@H](O)C3)c2)c1 ZINC000812778954 1285412305 /nfs/dbraw/zinc/41/23/05/1285412305.db2.gz RSQJOXLQVMLVPW-SFHVURJKSA-N 1 1 342.439 2.970 20 10 EFCDMO CN(C)c1ccc(C[N@@H+](C)[C@@H]2CC(=O)N(C(=O)OC(C)(C)C)C2)cc1 ZINC001171720257 1285739008 /nfs/dbraw/zinc/73/90/08/1285739008.db2.gz ODVBSMUNRSNGJU-MRXNPFEDSA-N 1 1 347.459 2.720 20 10 EFCDMO Cc1cc(Br)c(O)c(CN2CC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000814178532 1286361000 /nfs/dbraw/zinc/36/10/00/1286361000.db2.gz UCKIRQLIXAWIGR-INIZCTEOSA-N 1 1 339.277 2.991 20 10 EFCDMO COc1cccc(O)c1C[N@H+](Cc1ccc(C(N)=O)cc1F)C1CC1 ZINC000814170866 1286372777 /nfs/dbraw/zinc/37/27/77/1286372777.db2.gz FWFNAHJMFYZMOR-UHFFFAOYSA-N 1 1 344.386 2.803 20 10 EFCDMO COc1cccc(O)c1C[N@@H+](Cc1ccc(C(N)=O)cc1F)C1CC1 ZINC000814170866 1286372781 /nfs/dbraw/zinc/37/27/81/1286372781.db2.gz FWFNAHJMFYZMOR-UHFFFAOYSA-N 1 1 344.386 2.803 20 10 EFCDMO [NH3+][C@H]1CCN(Cc2cc(F)cc(Br)c2O)CC[C@@H]1F ZINC001206198589 1286558217 /nfs/dbraw/zinc/55/82/17/1286558217.db2.gz MPFKYRNGHICEQN-RYUDHWBXSA-N 1 1 335.192 2.555 20 10 EFCDMO [O-]c1cc(F)c(Cl)cc1CN1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000816484659 1288155180 /nfs/dbraw/zinc/15/51/80/1288155180.db2.gz KOKSKCVAZBMVGL-AWEZNQCLSA-N 1 1 342.842 2.871 20 10 EFCDMO Oc1cc(F)c(Cl)cc1CN1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000816484659 1288155183 /nfs/dbraw/zinc/15/51/83/1288155183.db2.gz KOKSKCVAZBMVGL-AWEZNQCLSA-N 1 1 342.842 2.871 20 10 EFCDMO Oc1cc(F)c(Cl)cc1CN1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000816484659 1288155188 /nfs/dbraw/zinc/15/51/88/1288155188.db2.gz KOKSKCVAZBMVGL-AWEZNQCLSA-N 1 1 342.842 2.871 20 10 EFCDMO O=C1CCCN1C1CC[NH+](Cc2cc(Cl)c(F)cc2O)CC1 ZINC000816503921 1288174515 /nfs/dbraw/zinc/17/45/15/1288174515.db2.gz RNSQZIRPBKMYKV-UHFFFAOYSA-N 1 1 326.799 2.772 20 10 EFCDMO CC[NH+]1CCN(CCCC[NH2+]Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000816534966 1288195082 /nfs/dbraw/zinc/19/50/82/1288195082.db2.gz ALPKMUVWAGWDAK-UHFFFAOYSA-N 1 1 343.874 2.692 20 10 EFCDMO O=C(NCC[NH2+]Cc1cc(Cl)c(F)cc1O)c1cccs1 ZINC000816535875 1288196840 /nfs/dbraw/zinc/19/68/40/1288196840.db2.gz CWUGMPRJRHVCBW-UHFFFAOYSA-N 1 1 328.796 2.766 20 10 EFCDMO OC[C@H]1CCC[N@H+]1CCCC[NH2+]Cc1ccc2ccccc2c1O ZINC000816551125 1288199948 /nfs/dbraw/zinc/19/99/48/1288199948.db2.gz PVESJCPEUYYSBJ-GOSISDBHSA-N 1 1 328.456 2.872 20 10 EFCDMO [O-]c1c(C[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)ccc2ccccc21 ZINC000816551125 1288199953 /nfs/dbraw/zinc/19/99/53/1288199953.db2.gz PVESJCPEUYYSBJ-GOSISDBHSA-N 1 1 328.456 2.872 20 10 EFCDMO [O-]c1c(C[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)ccc2ccccc21 ZINC000816551125 1288199957 /nfs/dbraw/zinc/19/99/57/1288199957.db2.gz PVESJCPEUYYSBJ-GOSISDBHSA-N 1 1 328.456 2.872 20 10 EFCDMO c1cc(N2CCOCC2)ccc1C[N@H+]1CC2(CCOCC2)[C@@H]1C1CC1 ZINC000816657100 1288230894 /nfs/dbraw/zinc/23/08/94/1288230894.db2.gz KGQXYRDRUPGHJT-FQEVSTJZSA-N 1 1 342.483 2.914 20 10 EFCDMO CC[C@H]1C[N@@H+](C)CCN1Cc1cc(Br)cc(OC)c1O ZINC000816660350 1288232147 /nfs/dbraw/zinc/23/21/47/1288232147.db2.gz AICLXAPHJURMDX-ZDUSSCGKSA-N 1 1 343.265 2.689 20 10 EFCDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H](O)CC2)ccc1N1CCCCC1 ZINC000816667086 1288235865 /nfs/dbraw/zinc/23/58/65/1288235865.db2.gz CIJNUWBTGGUDHZ-MRXNPFEDSA-N 1 1 333.432 2.932 20 10 EFCDMO CC(C)[C@@H]1C[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)CCCO1 ZINC000816676207 1288241390 /nfs/dbraw/zinc/24/13/90/1288241390.db2.gz VMJXCCIQKFHCMT-IBGZPJMESA-N 1 1 336.451 2.909 20 10 EFCDMO C[N@@H+]1CCc2[nH]c3ccc(C(=O)NCc4ccccc4O)cc3c2C1 ZINC000816911892 1288326868 /nfs/dbraw/zinc/32/68/68/1288326868.db2.gz CHJHLEDODCECNU-UHFFFAOYSA-N 1 1 335.407 2.791 20 10 EFCDMO C[N@H+]1CCc2[nH]c3ccc(C(=O)NCc4ccccc4O)cc3c2C1 ZINC000816911892 1288326875 /nfs/dbraw/zinc/32/68/75/1288326875.db2.gz CHJHLEDODCECNU-UHFFFAOYSA-N 1 1 335.407 2.791 20 10 EFCDMO COC1CCN(c2ccc(C[N@H+]3C[C@H](C)C[C@H](CO)C3)cc2)CC1 ZINC000817281663 1288501171 /nfs/dbraw/zinc/50/11/71/1288501171.db2.gz NPYRXURZDYHRHV-AEFFLSMTSA-N 1 1 332.488 2.752 20 10 EFCDMO Cc1cc(Br)cc(C[N@@H+]2C[C@H](CO)C[C@H](C)C2)c1O ZINC000817411979 1288590542 /nfs/dbraw/zinc/59/05/42/1288590542.db2.gz ALQVXVHUSGZNSA-CMPLNLGQSA-N 1 1 328.250 2.913 20 10 EFCDMO Cc1cc(Br)cc(C[N@H+]2C[C@H](C)C[C@@H](CO)C2)c1O ZINC000817411982 1288590570 /nfs/dbraw/zinc/59/05/70/1288590570.db2.gz ALQVXVHUSGZNSA-ZYHUDNBSSA-N 1 1 328.250 2.913 20 10 EFCDMO COc1cc(Br)cc(CN(C)C[C@@H]2CCC[N@H+]2C)c1O ZINC000817417910 1288593585 /nfs/dbraw/zinc/59/35/85/1288593585.db2.gz WKZGONGDNFXYON-ZDUSSCGKSA-N 1 1 343.265 2.689 20 10 EFCDMO COc1cc(Br)cc(C[N@H+](C)C[C@@H]2CCCN2C)c1O ZINC000817417910 1288593591 /nfs/dbraw/zinc/59/35/91/1288593591.db2.gz WKZGONGDNFXYON-ZDUSSCGKSA-N 1 1 343.265 2.689 20 10 EFCDMO COc1cc(Br)cc(C[N@@H+](C)C[C@@H]2CCCN2C)c1O ZINC000817417910 1288593596 /nfs/dbraw/zinc/59/35/96/1288593596.db2.gz WKZGONGDNFXYON-ZDUSSCGKSA-N 1 1 343.265 2.689 20 10 EFCDMO CON1CCC([NH2+]Cc2cc(C)cc(Br)c2O)CC1 ZINC000817418929 1288594150 /nfs/dbraw/zinc/59/41/50/1288594150.db2.gz LGMCUCPVZSXBBH-UHFFFAOYSA-N 1 1 329.238 2.579 20 10 EFCDMO CC[N@H+](Cc1ccc(N2CCN(C)CC2)nc1)Cc1ccccc1O ZINC001232361980 1312687802 /nfs/dbraw/zinc/68/78/02/1312687802.db2.gz HORFXSVJIJHTSY-UHFFFAOYSA-N 1 1 340.471 2.561 20 10 EFCDMO CC[N@@H+](Cc1ccc(N2CCN(C)CC2)nc1)Cc1ccccc1O ZINC001232361980 1312687805 /nfs/dbraw/zinc/68/78/05/1312687805.db2.gz HORFXSVJIJHTSY-UHFFFAOYSA-N 1 1 340.471 2.561 20 10 EFCDMO C[N@@H+](CC(=O)NCc1cccc(Br)c1O)CC(C)(C)C ZINC000822459022 1288998090 /nfs/dbraw/zinc/99/80/90/1288998090.db2.gz NKMDNPGNBAQCFS-UHFFFAOYSA-N 1 1 343.265 2.749 20 10 EFCDMO C[N@H+]1C[C@@H]2CCCN(Cc3cc(Br)ccc3O)[C@@H]2C1 ZINC000822520942 1289007811 /nfs/dbraw/zinc/00/78/11/1289007811.db2.gz SPAHYRZBFUNKMD-SMDDNHRTSA-N 1 1 325.250 2.681 20 10 EFCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCOC2CCSCC2)c1 ZINC000903446893 1312692696 /nfs/dbraw/zinc/69/26/96/1312692696.db2.gz XBTXNHKUNAEMCL-GFCCVEGCSA-N 1 1 339.457 2.742 20 10 EFCDMO Cc1ncncc1[C@@H](C)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000903447768 1312694067 /nfs/dbraw/zinc/69/40/67/1312694067.db2.gz CEWJQMADEKMNOR-KUHUBIRLSA-N 1 1 327.476 2.805 20 10 EFCDMO CC(C)n1cc([C@H](C)[NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)nn1 ZINC000903447922 1312694171 /nfs/dbraw/zinc/69/41/71/1312694171.db2.gz GBRPBTPPZJQVOX-KXBFYZLASA-N 1 1 344.507 2.879 20 10 EFCDMO COC(=O)c1c(C[N@H+]2CCC[C@@](C)(CO)CC2)c2ccccc2n1C ZINC001232401647 1312694344 /nfs/dbraw/zinc/69/43/44/1312694344.db2.gz AJUMCACSOURQQQ-HXUWFJFHSA-N 1 1 344.455 2.949 20 10 EFCDMO COC(=O)c1c(C[N@H+]2CCC[C@](O)(CF)CC2)c2ccccc2n1C ZINC001232403374 1312694625 /nfs/dbraw/zinc/69/46/25/1312694625.db2.gz WUTBZZYTAABBIT-LJQANCHMSA-N 1 1 348.418 2.651 20 10 EFCDMO CC[C@@H](NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1nccn1C ZINC000903448585 1312694618 /nfs/dbraw/zinc/69/46/18/1312694618.db2.gz QHCIZRKLGMAEHU-MSOLQXFVSA-N 1 1 329.492 2.830 20 10 EFCDMO CN(C)c1ccc([C@@H](CN[C@H]2CCCn3ccnc32)[NH+](C)C)cc1 ZINC000903448378 1312694953 /nfs/dbraw/zinc/69/49/53/1312694953.db2.gz ODSYWFHKIFHMKQ-ZWKOTPCHSA-N 1 1 327.476 2.677 20 10 EFCDMO COC(=O)c1c(CN2CC[C@@H]([N@@H+](C)C3CC3)C2)c2ccccc2n1C ZINC001232404058 1312695281 /nfs/dbraw/zinc/69/52/81/1312695281.db2.gz KSHBOLXBWHLREH-OAHLLOKOSA-N 1 1 341.455 2.633 20 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COc1ccc(C[NH2+][C@H](C)Cc2cc(C)[nH]n2)cc1Cn1cccn1 ZINC000873079858 1289557734 /nfs/dbraw/zinc/55/77/34/1289557734.db2.gz ITXWPFNUWHHSHC-CQSZACIVSA-N 1 1 339.443 2.692 20 10 EFCDMO COc1ccc(N(C)CCN(C)C(=O)Cn2cc[nH+]c2C(C)C)cc1 ZINC000824208599 1289569816 /nfs/dbraw/zinc/56/98/16/1289569816.db2.gz QLZYIMSRVVDBFD-UHFFFAOYSA-N 1 1 344.459 2.610 20 10 EFCDMO C[C@H]1C[N@H+](Cc2ccc(N(C)Cc3cccs3)cc2)C[C@H](CO)O1 ZINC000824250308 1289589343 /nfs/dbraw/zinc/58/93/43/1289589343.db2.gz MKHRQVGMQLJPDY-MAUKXSAKSA-N 1 1 346.496 2.966 20 10 EFCDMO C[C@H]1C[N@@H+](Cc2ccc(N(C)Cc3cccs3)cc2)C[C@H](CO)O1 ZINC000824250308 1289589351 /nfs/dbraw/zinc/58/93/51/1289589351.db2.gz MKHRQVGMQLJPDY-MAUKXSAKSA-N 1 1 346.496 2.966 20 10 EFCDMO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cc1cc(F)ccc1N ZINC001232510937 1312722486 /nfs/dbraw/zinc/72/24/86/1312722486.db2.gz NKBGYUAFKWLQFJ-UHFFFAOYSA-N 1 1 329.419 2.877 20 10 EFCDMO CN1CCN(c2ccc(C[NH2+][C@@H]3CCc4c3cccc4O)cc2)CC1 ZINC000824565435 1289702275 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COc1cc(C[N@H+]2CCC[C@@](O)(C(F)(F)F)[C@H](C)C2)cc(O)c1O ZINC001204342868 1290201521 /nfs/dbraw/zinc/20/15/21/1290201521.db2.gz NWENGVCENBGVNJ-BMIGLBTASA-N 1 1 349.349 2.632 20 10 EFCDMO Cc1cc(O)c(C[N@@H+]2CCCC[C@H](S(C)(=O)=O)C2)cc1Cl ZINC000825716395 1290229379 /nfs/dbraw/zinc/22/93/79/1290229379.db2.gz SZJYVZVHSNSQNU-ZDUSSCGKSA-N 1 1 331.865 2.753 20 10 EFCDMO Cc1cc(O)c(C[N@H+]2CCCC[C@H](S(C)(=O)=O)C2)cc1Cl ZINC000825716395 1290229387 /nfs/dbraw/zinc/22/93/87/1290229387.db2.gz SZJYVZVHSNSQNU-ZDUSSCGKSA-N 1 1 331.865 2.753 20 10 EFCDMO C[C@@H](NC(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1)c1ccccc1O ZINC000875038407 1290452792 /nfs/dbraw/zinc/45/27/92/1290452792.db2.gz IIQWXAQIRXXCIA-SOUVJXGZSA-N 1 1 349.475 2.640 20 10 EFCDMO COc1cccc(C[NH+]2CCN(c3ncccc3Cl)CC2)c1O ZINC001203596342 1290497043 /nfs/dbraw/zinc/49/70/43/1290497043.db2.gz AAVRUQVPKRYZHV-UHFFFAOYSA-N 1 1 333.819 2.771 20 10 EFCDMO CC(C)(O)c1ccc(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)cn1 ZINC001232828558 1312789791 /nfs/dbraw/zinc/78/97/91/1312789791.db2.gz OXLQPRSGPOJECB-UHFFFAOYSA-N 1 1 328.412 2.669 20 10 EFCDMO CC(C)(O)c1ccc(C[N@H+]2CCCc3cc(O)c(O)cc3C2)cn1 ZINC001232828558 1312789793 /nfs/dbraw/zinc/78/97/93/1312789793.db2.gz OXLQPRSGPOJECB-UHFFFAOYSA-N 1 1 328.412 2.669 20 10 EFCDMO C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2O)CCC[C@@]1(O)C(F)(F)F ZINC001232833666 1312790261 /nfs/dbraw/zinc/79/02/61/1312790261.db2.gz CCYKCKHSWVESGA-WBMJQRKESA-N 1 1 346.393 2.984 20 10 EFCDMO CN(C)c1ccc(C[NH+]2CC(N(C)C(=O)OC(C)(C)C)C2)c(O)c1 ZINC001232834906 1312791213 /nfs/dbraw/zinc/79/12/13/1312791213.db2.gz PLQLVVZHEQBFBY-UHFFFAOYSA-N 1 1 335.448 2.509 20 10 EFCDMO CN(C)c1ccc(C[N@H+]2CCCN(c3ccccn3)CC2)c(O)c1 ZINC001232834724 1312791271 /nfs/dbraw/zinc/79/12/71/1312791271.db2.gz KPDZIQBDHGPFDJ-UHFFFAOYSA-N 1 1 326.444 2.566 20 10 EFCDMO CN(C)c1ccc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)[C@@H]3C[C@@H]32)c(O)c1 ZINC001232836091 1312791707 /nfs/dbraw/zinc/79/17/07/1312791707.db2.gz KSRHHHYUJGWELU-JKSUJKDBSA-N 1 1 347.459 2.652 20 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1312793201 /nfs/dbraw/zinc/79/32/01/1312793201.db2.gz JEJPSCKRSXUPPF-KRWDZBQOSA-N 1 1 342.443 2.600 20 10 EFCDMO CCOC(=O)C[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2O)C[C@@H]1C ZINC001232841471 1312793401 /nfs/dbraw/zinc/79/34/01/1312793401.db2.gz HWHBCAGDYNBUIG-GJZGRUSLSA-N 1 1 334.460 2.869 20 10 EFCDMO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000092456099 1290755996 /nfs/dbraw/zinc/75/59/96/1290755996.db2.gz SNVJOZHONWEYKC-LLVKDONJSA-N 1 1 342.233 2.930 20 10 EFCDMO COc1c(O)c(C[NH2+]CCc2sc(C)nc2C)ccc1[N+](=O)[O-] ZINC000775012493 1290942070 /nfs/dbraw/zinc/94/20/70/1290942070.db2.gz QDGYHOYDOLGKOC-UHFFFAOYSA-N 1 1 337.401 2.715 20 10 EFCDMO COc1c(O)c(C[NH2+]CCc2ccc(F)cc2F)ccc1[N+](=O)[O-] ZINC000775011935 1290947670 /nfs/dbraw/zinc/94/76/70/1290947670.db2.gz MNBUVTQUBHXXRP-UHFFFAOYSA-N 1 1 338.310 2.920 20 10 EFCDMO COCC[C@@H](C[N@@H+](C)Cc1ccccc1O)NC(=O)OC(C)(C)C ZINC000876615817 1290957127 /nfs/dbraw/zinc/95/71/27/1290957127.db2.gz MBENEAWBKCHYPM-HNNXBMFYSA-N 1 1 338.448 2.754 20 10 EFCDMO COC[C@H](Cc1ccccc1)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000775028599 1290972191 /nfs/dbraw/zinc/97/21/91/1290972191.db2.gz FINULBXQLOPWJA-HNNXBMFYSA-N 1 1 346.383 2.656 20 10 EFCDMO Oc1cc(I)ccc1C[N@H+]1C[C@@H]2C[C@H]1C[C@H]2F ZINC001232979430 1312824386 /nfs/dbraw/zinc/82/43/86/1312824386.db2.gz YEZHFJSRPUNWDE-ZMLRMANQSA-N 1 1 347.171 2.929 20 10 EFCDMO Cc1ncc(F)cc1C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC001232989396 1312827138 /nfs/dbraw/zinc/82/71/38/1312827138.db2.gz CCBZOAWGLQOLJH-UHFFFAOYSA-N 1 1 329.419 2.998 20 10 EFCDMO COC(=O)C[C@H](C)[N@@H+](Cc1ccccc1)Cc1cc(O)c(O)c(O)c1 ZINC001233015573 1312832309 /nfs/dbraw/zinc/83/23/09/1312832309.db2.gz SVZBKJVEBSROMO-ZDUSSCGKSA-N 1 1 345.395 2.757 20 10 EFCDMO COc1cc2c(cc1OC)[C@@H](C[N@@H+](C)Cc1cc(O)c(O)c(O)c1)C2 ZINC001233015554 1312832442 /nfs/dbraw/zinc/83/24/42/1312832442.db2.gz SGGCEWNWXRLXJL-CYBMUJFWSA-N 1 1 345.395 2.592 20 10 EFCDMO C[C@@H]1C[N@H+](Cc2ccc(F)cc2)CCN1Cc1cc(O)c(O)c(O)c1 ZINC001233010106 1312831750 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/nfs/dbraw/zinc/96/56/15/1312965615.db2.gz XRKNZZLVOGVJMA-ZFWWWQNUSA-N 1 1 344.436 2.557 20 10 EFCDMO CCOc1cccc(C[N@@H+]2CCN3C(=O)c4ccccc4[C@H]3C2)c1O ZINC001203602837 1312968237 /nfs/dbraw/zinc/96/82/37/1312968237.db2.gz AMXWSBRDFNJWEG-QGZVFWFLSA-N 1 1 338.407 2.804 20 10 EFCDMO CCOc1cccc(C[N@H+]2CCN3C(=O)c4ccccc4[C@H]3C2)c1O ZINC001203602837 1312968240 /nfs/dbraw/zinc/96/82/40/1312968240.db2.gz AMXWSBRDFNJWEG-QGZVFWFLSA-N 1 1 338.407 2.804 20 10 EFCDMO CCOc1cccc(C[N@H+]2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)c1O ZINC001203604009 1312968270 /nfs/dbraw/zinc/96/82/70/1312968270.db2.gz YQZAQCYTLTZTFK-LIRRHRJNSA-N 1 1 348.443 2.890 20 10 EFCDMO CCOc1cccc(C[N@H+]2CCCN(Cc3ccncc3)CC2)c1O ZINC001203602127 1312968297 /nfs/dbraw/zinc/96/82/97/1312968297.db2.gz BJHCSVOAAVCYFN-UHFFFAOYSA-N 1 1 341.455 2.894 20 10 EFCDMO CCOc1cccc(C[N@H+]2CC[C@H]3OCCC[C@]3(COC)C2)c1O ZINC001203608220 1312969521 /nfs/dbraw/zinc/96/95/21/1312969521.db2.gz LQWJVNBPYGAQJJ-IEBWSBKVSA-N 1 1 335.444 2.808 20 10 EFCDMO CCOc1cccc(C[N@H+]2CCC[C@]3(CCC(=O)N3)[C@@H]2CC)c1O ZINC001203608089 1312969589 /nfs/dbraw/zinc/96/95/89/1312969589.db2.gz HVHCBIMPSOEBEW-LPHOPBHVSA-N 1 1 332.444 2.814 20 10 EFCDMO CCOc1cccc(C[N@H+]2CCO[C@H]3[C@H](OCC4CC4)CC[C@@H]32)c1O ZINC001203608425 1312970083 /nfs/dbraw/zinc/97/00/83/1312970083.db2.gz OZSZRRBVKIMPSW-ILZDJORESA-N 1 1 347.455 2.949 20 10 EFCDMO CCOc1cccc(CN2CCC([N@@H+](C)C3CCOCC3)CC2)c1O ZINC001203614124 1312971141 /nfs/dbraw/zinc/97/11/41/1312971141.db2.gz POGLFVZULCDPPG-UHFFFAOYSA-N 1 1 348.487 2.866 20 10 EFCDMO COc1ccc(C[N@H+]2CC[C@@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)c(O)c1 ZINC001203621382 1312973023 /nfs/dbraw/zinc/97/30/23/1312973023.db2.gz CFDCHOKAXMEYQA-JKSUJKDBSA-N 1 1 348.443 2.985 20 10 EFCDMO COc1ccc(C[N@H+]2C[C@@H]3C[C@H]2C[C@@H]3NC(=O)OC(C)(C)C)c(O)c1 ZINC001203622356 1312973150 /nfs/dbraw/zinc/97/31/50/1312973150.db2.gz YYRZTEQGSTWUOQ-DZKIICNBSA-N 1 1 348.443 2.888 20 10 EFCDMO COc1ccc(C[N@H+]2CCC[C@@]3(C[C@H](OCC4CC4)CO3)C2)c(O)c1 ZINC001203622308 1312973282 /nfs/dbraw/zinc/97/32/82/1312973282.db2.gz XSCVJFPORQBUQO-AZUAARDMSA-N 1 1 347.455 2.951 20 10 EFCDMO COc1ccc(C[NH+]2CCN(CCc3cccs3)CC2)c(O)c1 ZINC001203627797 1312975411 /nfs/dbraw/zinc/97/54/11/1312975411.db2.gz PRHHOYJVETUMAU-UHFFFAOYSA-N 1 1 332.469 2.823 20 10 EFCDMO COc1ccc(C[N@H+]2CCC[C@@H](Oc3nccc(C)n3)C2)c(O)c1 ZINC001203635325 1312977474 /nfs/dbraw/zinc/97/74/74/1312977474.db2.gz PRGJBWZGDPDDDP-MRXNPFEDSA-N 1 1 329.400 2.543 20 10 EFCDMO CCC1(NC(=O)OC(C)(C)C)C[NH+](Cc2ccc(OC)cc2O)C1 ZINC001203634660 1312977505 /nfs/dbraw/zinc/97/75/05/1312977505.db2.gz QDGLIYGGQWUIAX-UHFFFAOYSA-N 1 1 336.432 2.890 20 10 EFCDMO COc1ccc(C[N@H+]2C[C@@H](NC(=O)OC(C)(C)C)C[C@H]2C)c(O)c1 ZINC001203635073 1312977783 /nfs/dbraw/zinc/97/77/83/1312977783.db2.gz JMICYNVGNKFSSA-OCCSQVGLSA-N 1 1 336.432 2.888 20 10 EFCDMO Oc1c(C[N@H+]2CC[C@@](O)(C(F)(F)F)C2)cccc1OC(F)(F)F ZINC001233727691 1312978604 /nfs/dbraw/zinc/97/86/04/1312978604.db2.gz OGUCIHDKRSHHKW-NSHDSACASA-N 1 1 345.239 2.790 20 10 EFCDMO Oc1c(C[N@H+]2CCCC[C@@](O)(CF)C2)cccc1OC(F)(F)F ZINC001233727143 1312978745 /nfs/dbraw/zinc/97/87/45/1312978745.db2.gz JCYDTQQGNYGAAB-CQSZACIVSA-N 1 1 337.313 2.977 20 10 EFCDMO Oc1c(C[N@H+]2CCC[C@@](O)(CF)CC2)cccc1OC(F)(F)F ZINC001233726257 1312978838 /nfs/dbraw/zinc/97/88/38/1312978838.db2.gz BJDMZTJJNIOTEI-AWEZNQCLSA-N 1 1 337.313 2.977 20 10 EFCDMO CC(=O)N1CCC[C@@H]([N@@H+](C)Cc2cc(Br)ccc2O)C1 ZINC001203649850 1312980186 /nfs/dbraw/zinc/98/01/86/1312980186.db2.gz IEZLSRIBWJLZLR-CQSZACIVSA-N 1 1 341.249 2.597 20 10 EFCDMO C[N@H+]1CCC[C@H]2CN(Cc3cc(Br)ccc3O)C[C@H]21 ZINC001203650209 1312980296 /nfs/dbraw/zinc/98/02/96/1312980296.db2.gz NEERPQHRASBWQE-SMDDNHRTSA-N 1 1 325.250 2.681 20 10 EFCDMO COC(=O)[C@@H]1C[N@@H+](Cc2cc(Br)ccc2O)CC12CC2 ZINC001203648615 1312980452 /nfs/dbraw/zinc/98/04/52/1312980452.db2.gz OBTHMQCBIQDFCM-LBPRGKRZSA-N 1 1 340.217 2.540 20 10 EFCDMO CC(=O)N1CCC[C@H]([N@@H+](C)Cc2cc(Br)ccc2O)C1 ZINC001203649849 1312980597 /nfs/dbraw/zinc/98/05/97/1312980597.db2.gz IEZLSRIBWJLZLR-AWEZNQCLSA-N 1 1 341.249 2.597 20 10 EFCDMO COc1ccc(O)c(C[N@H+]2CC[C@@]3(CCN3C(=O)OC(C)(C)C)C2)c1 ZINC001203670430 1312985869 /nfs/dbraw/zinc/98/58/69/1312985869.db2.gz QOXYBKLLSFEOQS-LJQANCHMSA-N 1 1 348.443 2.986 20 10 EFCDMO COc1ccc(O)c(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)OC(C)(C)C)[C@@H]3C2)c1 ZINC001203670632 1312985957 /nfs/dbraw/zinc/98/59/57/1312985957.db2.gz VSAZJUZJBOXURA-PHZGNYQRSA-N 1 1 348.443 2.603 20 10 EFCDMO COc1ccc(O)c(C[N@H+]2CCC[C@](O)(C(F)(F)F)[C@H](C)C2)c1 ZINC001203670708 1312986071 /nfs/dbraw/zinc/98/60/71/1312986071.db2.gz XMDMXNWQUQAWNN-IAQYHMDHSA-N 1 1 333.350 2.926 20 10 EFCDMO CCOC(=O)N1CC[NH+](Cc2cccc(OC(F)(F)F)c2O)CC1 ZINC001233760544 1312986502 /nfs/dbraw/zinc/98/65/02/1312986502.db2.gz HDRGZRKIVNHFMW-UHFFFAOYSA-N 1 1 348.321 2.565 20 10 EFCDMO COC(=O)[C@H](C(C)C)[N@H+](C)Cc1cccc(OC(F)(F)F)c1O ZINC001233768399 1312987444 /nfs/dbraw/zinc/98/74/44/1312987444.db2.gz QFHXXLSVQTVTMP-LBPRGKRZSA-N 1 1 335.322 2.920 20 10 EFCDMO COC(=O)[C@H](C(C)C)[N@@H+](C)Cc1cccc(OC(F)(F)F)c1O ZINC001233768399 1312987448 /nfs/dbraw/zinc/98/74/48/1312987448.db2.gz QFHXXLSVQTVTMP-LBPRGKRZSA-N 1 1 335.322 2.920 20 10 EFCDMO O=C1CC[C@@]2(CCC[N@H+](Cc3cccc(OC(F)(F)F)c3O)C2)O1 ZINC001233768526 1312987500 /nfs/dbraw/zinc/98/75/00/1312987500.db2.gz SVRGHAZADAPTEC-OAHLLOKOSA-N 1 1 345.317 2.962 20 10 EFCDMO CN1CCC[C@@H]2C[N@@H+](Cc3cccc(OC(F)(F)F)c3O)C[C@H]21 ZINC001233768384 1312987650 /nfs/dbraw/zinc/98/76/50/1312987650.db2.gz QDFDYKHQKUIVPV-DGCLKSJQSA-N 1 1 330.350 2.817 20 10 EFCDMO C[N@@H+]1CCC[C@@H]2CN(Cc3cccc(OC(F)(F)F)c3O)C[C@H]21 ZINC001233768384 1312987654 /nfs/dbraw/zinc/98/76/54/1312987654.db2.gz QDFDYKHQKUIVPV-DGCLKSJQSA-N 1 1 330.350 2.817 20 10 EFCDMO C[N@H+]1CCC[C@@H]2CN(Cc3cccc(OC(F)(F)F)c3O)C[C@H]21 ZINC001233768384 1312987658 /nfs/dbraw/zinc/98/76/58/1312987658.db2.gz QDFDYKHQKUIVPV-DGCLKSJQSA-N 1 1 330.350 2.817 20 10 EFCDMO CN1CCC[C@H]2C[N@@H+](Cc3cccc(OC(F)(F)F)c3O)C[C@H]21 ZINC001233768389 1312987964 /nfs/dbraw/zinc/98/79/64/1312987964.db2.gz QDFDYKHQKUIVPV-WCQYABFASA-N 1 1 330.350 2.817 20 10 EFCDMO C[N@@H+]1CCC[C@H]2CN(Cc3cccc(OC(F)(F)F)c3O)C[C@H]21 ZINC001233768389 1312987966 /nfs/dbraw/zinc/98/79/66/1312987966.db2.gz QDFDYKHQKUIVPV-WCQYABFASA-N 1 1 330.350 2.817 20 10 EFCDMO C[N@H+]1CCC[C@H]2CN(Cc3cccc(OC(F)(F)F)c3O)C[C@H]21 ZINC001233768389 1312987969 /nfs/dbraw/zinc/98/79/69/1312987969.db2.gz QDFDYKHQKUIVPV-WCQYABFASA-N 1 1 330.350 2.817 20 10 EFCDMO COc1ccc(O)c(C[NH+]2CCN(c3ccc(C(C)=O)cc3)CC2)c1 ZINC001203678011 1312988072 /nfs/dbraw/zinc/98/80/72/1312988072.db2.gz FNUDOHXSRSBJAQ-UHFFFAOYSA-N 1 1 340.423 2.926 20 10 EFCDMO COc1ccc(O)c(C[NH+]2CCN(Cc3c(F)cccc3F)CC2)c1 ZINC001203680460 1312989073 /nfs/dbraw/zinc/98/90/73/1312989073.db2.gz ZEJOFOINAXGPPU-UHFFFAOYSA-N 1 1 348.393 2.997 20 10 EFCDMO COc1ccc(O)c(C[N@H+]2CCC[C@H](Oc3nccnc3C)C2)c1 ZINC001203681371 1312989114 /nfs/dbraw/zinc/98/91/14/1312989114.db2.gz VIBCOIYITSXBGZ-INIZCTEOSA-N 1 1 329.400 2.543 20 10 EFCDMO COc1ccc(O[C@H]2CCC[N@@H+](Cc3cc(OC)ccc3O)C2)nc1 ZINC001203683852 1312989581 /nfs/dbraw/zinc/98/95/81/1312989581.db2.gz GBLZBOBGSMXVMM-KRWDZBQOSA-N 1 1 344.411 2.848 20 10 EFCDMO COC(=O)[C@H]1C[N@@H+](Cc2cccc(OC(F)(F)F)c2O)CC12CC2 ZINC001233776074 1312989906 /nfs/dbraw/zinc/98/99/06/1312989906.db2.gz JLPLVJJEOIZYGU-LLVKDONJSA-N 1 1 345.317 2.676 20 10 EFCDMO Fc1cc(C[N@@H+](C[C@H]2CCOC2)C2CC2)ccc1N1CCOCC1 ZINC000129973802 1293301803 /nfs/dbraw/zinc/30/18/03/1293301803.db2.gz AMQJAJWGFASALH-MRXNPFEDSA-N 1 1 334.435 2.663 20 10 EFCDMO Oc1c(Br)cccc1C[NH+]1CCC(C2OCCO2)CC1 ZINC000130094340 1293315426 /nfs/dbraw/zinc/31/54/26/1293315426.db2.gz FPTHZFYLVRFDEK-UHFFFAOYSA-N 1 1 342.233 2.740 20 10 EFCDMO C[C@H]1CN(C(C)(C)C[NH2+]Cc2cc(F)cc(F)c2O)C[C@H](C)O1 ZINC000882881292 1293368383 /nfs/dbraw/zinc/36/83/83/1293368383.db2.gz GXGWIQBWUQMVLM-RYUDHWBXSA-N 1 1 328.403 2.648 20 10 EFCDMO O=C(NCCc1c[nH]c2cc[nH+]cc12)c1cc(O)c(O)c(Cl)c1 ZINC001193633890 1293377683 /nfs/dbraw/zinc/37/76/83/1293377683.db2.gz KBFOESXLJPKPHX-UHFFFAOYSA-N 1 1 331.759 2.600 20 10 EFCDMO Oc1c(F)cc(F)cc1C[NH2+]CCCc1nnc2n1CCCCC2 ZINC000882966677 1293408103 /nfs/dbraw/zinc/40/81/03/1293408103.db2.gz LFRNIXMNNZXKCG-UHFFFAOYSA-N 1 1 336.386 2.711 20 10 EFCDMO COc1cc(OC)cc([C@H](O)C[NH2+]Cc2cc(F)cc(F)c2O)c1 ZINC000883011479 1293426742 /nfs/dbraw/zinc/42/67/42/1293426742.db2.gz WVDFTVUXRQCOTL-MRXNPFEDSA-N 1 1 339.338 2.511 20 10 EFCDMO CCNC(=O)[C@@H]([NH2+]Cc1cc(Br)cc(F)c1O)C(C)C ZINC000883130625 1293473771 /nfs/dbraw/zinc/47/37/71/1293473771.db2.gz MMFQFVKBKKQSFR-LBPRGKRZSA-N 1 1 347.228 2.544 20 10 EFCDMO COCC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000883290014 1293532795 /nfs/dbraw/zinc/53/27/95/1293532795.db2.gz IHBMGLMGCXCTKY-AZUAARDMSA-N 1 1 331.504 2.733 20 10 EFCDMO C[C@@H](NCc1ccc(N2CC[NH+](C)CC2)cc1)c1ccc(F)cn1 ZINC000883290022 1293533082 /nfs/dbraw/zinc/53/30/82/1293533082.db2.gz ILAFRDAIDKJYBV-OAHLLOKOSA-N 1 1 328.435 2.823 20 10 EFCDMO C[N@@H+](C/C=C\Cl)[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001194374047 1293602723 /nfs/dbraw/zinc/60/27/23/1293602723.db2.gz BKPJNSXHTMVMOZ-QPIOPKGTSA-N 1 1 349.822 2.748 20 10 EFCDMO C[NH+](C)CC1CC[NH+](Cc2cc(Br)ccc2[O-])CC1 ZINC000132798818 1293708022 /nfs/dbraw/zinc/70/80/22/1293708022.db2.gz FKLCKGKCHQATHW-UHFFFAOYSA-N 1 1 327.266 2.928 20 10 EFCDMO COCCC[N@@H+](CCOC)Cc1cccc(Br)c1O ZINC000133092915 1293774843 /nfs/dbraw/zinc/77/48/43/1293774843.db2.gz GFLOAEHYYZYUOE-UHFFFAOYSA-N 1 1 332.238 2.640 20 10 EFCDMO COCCC[N@H+](CCOC)Cc1cccc(Br)c1O ZINC000133092915 1293774839 /nfs/dbraw/zinc/77/48/39/1293774839.db2.gz GFLOAEHYYZYUOE-UHFFFAOYSA-N 1 1 332.238 2.640 20 10 EFCDMO COCC[N@H+](Cc1ccc(N2CCN(C)CC2)cc1)C1CCCC1 ZINC000775656608 1293919586 /nfs/dbraw/zinc/91/95/86/1293919586.db2.gz KWCUOCNUKVWOMJ-UHFFFAOYSA-N 1 1 331.504 2.829 20 10 EFCDMO COCC[N@@H+](Cc1ccc(N2CCN(C)CC2)cc1)C1CCCC1 ZINC000775656608 1293919590 /nfs/dbraw/zinc/91/95/90/1293919590.db2.gz KWCUOCNUKVWOMJ-UHFFFAOYSA-N 1 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EFCDMO NC[C@]1(F)CCCC[N@H+](Cc2cc3c4c(c2O)CCCN4CCC3)C1 ZINC001206344680 1313439049 /nfs/dbraw/zinc/43/90/49/1313439049.db2.gz WOMSKMGQHXINJF-HXUWFJFHSA-N 1 1 347.478 2.744 20 10 EFCDMO NC[C@]1(F)CCCC[N@@H+](Cc2cc3c4c(c2O)CCCN4CCC3)C1 ZINC001206344680 1313439051 /nfs/dbraw/zinc/43/90/51/1313439051.db2.gz WOMSKMGQHXINJF-HXUWFJFHSA-N 1 1 347.478 2.744 20 10 EFCDMO CCN(CC[NH3+])Cc1cc(Br)cc(C(F)(F)F)c1O ZINC001236144631 1313446593 /nfs/dbraw/zinc/44/65/93/1313446593.db2.gz RFIDKJYWFZQVAU-UHFFFAOYSA-N 1 1 341.171 2.954 20 10 EFCDMO [NH3+][C@@H]1C[C@H](F)CN(Cc2cc(Cl)cc(Br)c2O)C1 ZINC001206424358 1313451056 /nfs/dbraw/zinc/45/10/56/1313451056.db2.gz OSETZOJSUULYRJ-VHSXEESVSA-N 1 1 337.620 2.679 20 10 EFCDMO COc1cnccc1C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC001206473231 1313460211 /nfs/dbraw/zinc/46/02/11/1313460211.db2.gz FQBDGFLNSLKIJX-UHFFFAOYSA-N 1 1 327.428 2.559 20 10 EFCDMO COc1cnccc1C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC001206473231 1313460214 /nfs/dbraw/zinc/46/02/14/1313460214.db2.gz 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ZINC001346102456 1332599458 /nfs/dbraw/zinc/59/94/58/1332599458.db2.gz MXYUAVDMTCOSDH-LBPRGKRZSA-N 1 1 347.488 2.653 20 10 EFCDMO CC[N@H+]1CCN(c2nnc(C3SC=CC3=O)n2CC2CC2)C[C@@H]1C ZINC001346102456 1332599462 /nfs/dbraw/zinc/59/94/62/1332599462.db2.gz MXYUAVDMTCOSDH-LBPRGKRZSA-N 1 1 347.488 2.653 20 10 EFCDMO C[C@@H]1C[C@H]2CC[C@H](C(=O)NCc3ccc(N(C)C)c(F)c3)C[N@H+]2C1 ZINC001346375500 1332631811 /nfs/dbraw/zinc/63/18/11/1332631811.db2.gz RMKCHDWVLLQJDO-VNQPRFMTSA-N 1 1 333.451 2.628 20 10 EFCDMO CCC[C@@]1(CO)CC[N@@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001347236596 1332726235 /nfs/dbraw/zinc/72/62/35/1332726235.db2.gz AEUXOXDJNOEPJQ-HXUWFJFHSA-N 1 1 349.494 2.562 20 10 EFCDMO CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1c([O-])cccc1Br ZINC001348089193 1332798991 /nfs/dbraw/zinc/79/89/91/1332798991.db2.gz FZHZZSZYMHONGB-LBPRGKRZSA-N 1 1 345.281 2.601 20 10 EFCDMO C[C@@H]1C[C@H]1c1nnc(NCc2ccc(N3CC[NH+](C)CC3)c(F)c2)o1 ZINC001348524514 1332844701 /nfs/dbraw/zinc/84/47/01/1332844701.db2.gz FBTRCUDPCKYLHT-TZMCWYRMSA-N 1 1 345.422 2.696 20 10 EFCDMO CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1CCCC[N@H+]1C ZINC001349332708 1332939321 /nfs/dbraw/zinc/93/93/21/1332939321.db2.gz ZTFWMKWQCZXMLE-GOSISDBHSA-N 1 1 332.492 2.768 20 10 EFCDMO CCC[N@H+]1CCCC[C@H]1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC001349448362 1332954500 /nfs/dbraw/zinc/95/45/00/1332954500.db2.gz ZDVUDLUDILJCPY-KRWDZBQOSA-N 1 1 331.460 2.743 20 10 EFCDMO COc1cc(C)cc(C[N@@H+](C)C[C@@H](O)COCc2ccccc2)c1O ZINC001350308950 1333062454 /nfs/dbraw/zinc/06/24/54/1333062454.db2.gz CAPNSOLOQNCIIG-GOSISDBHSA-N 1 1 345.439 2.719 20 10 EFCDMO CN(C)c1ccc(CNC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000847296130 1333497495 /nfs/dbraw/zinc/49/74/95/1333497495.db2.gz BEJAYMUMQRJOSC-LJQANCHMSA-N 1 1 337.467 2.891 20 10 EFCDMO CN(C)c1ccc(CNC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000847296129 1333497632 /nfs/dbraw/zinc/49/76/32/1333497632.db2.gz BEJAYMUMQRJOSC-IBGZPJMESA-N 1 1 337.467 2.891 20 10 EFCDMO CN(C)c1ccc(CN(C)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000847443679 1333725507 /nfs/dbraw/zinc/72/55/07/1333725507.db2.gz URPCLJZGRQWJNF-RBUKOAKNSA-N 1 1 344.503 2.911 20 10 EFCDMO O=C(NCc1cc(Cl)ccc1O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000847446624 1333731092 /nfs/dbraw/zinc/73/10/92/1333731092.db2.gz IHMNMDDEBPSOEU-HUUCEWRRSA-N 1 1 337.851 2.862 20 10 EFCDMO COc1cccc(CNC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1O ZINC000847589406 1333957973 /nfs/dbraw/zinc/95/79/73/1333957973.db2.gz IZVUIWVWBIHAMB-KRWDZBQOSA-N 1 1 340.423 2.539 20 10 EFCDMO COc1ccc(CNC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(O)c1 ZINC000848022659 1334167587 /nfs/dbraw/zinc/16/75/87/1334167587.db2.gz GJHSLTLQHHFGKR-QGZVFWFLSA-N 1 1 340.423 2.539 20 10 EFCDMO CCOC(=O)CC[N@@H+](Cc1cc(OC)c(OC)cc1O)C(C)C ZINC000848502192 1334758977 /nfs/dbraw/zinc/75/89/77/1334758977.db2.gz PJTZNXKFGYJBSZ-UHFFFAOYSA-N 1 1 325.405 2.573 20 10 EFCDMO C[C@H]([NH2+][C@H]1CCc2c(nnn2C)C1)c1cccc(C(F)(F)F)c1O ZINC000848562396 1334796181 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CN1CCN(c2ccc(C[N@H+]3CCC[C@H](OC4CCC4)C3)cc2)CC1 ZINC000848925020 1334990937 /nfs/dbraw/zinc/99/09/37/1334990937.db2.gz LDNPQAYBNOPIOT-NRFANRHFSA-N 1 1 343.515 2.972 20 10 EFCDMO CCN(CC)c1ccc(CNC(=O)[C@H]2[NH2+]CCc3occc32)cc1 ZINC001357361220 1335305226 /nfs/dbraw/zinc/30/52/26/1335305226.db2.gz FYLVQKMCCJHGDG-SFHVURJKSA-N 1 1 327.428 2.629 20 10 EFCDMO CCOC(=O)CC(C)(C)CC(=O)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC000935945218 1335464258 /nfs/dbraw/zinc/46/42/58/1335464258.db2.gz PETLEVXUDGKLMW-UHFFFAOYSA-N 1 1 325.449 2.759 20 10 EFCDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccc(N(C)C)cc1 ZINC000177247689 717956453 /nfs/dbraw/zinc/95/64/53/717956453.db2.gz MSUQXVDJCVBCMC-MSOLQXFVSA-N 1 1 330.476 2.521 20 10 EFCDMO O=C(N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)c1cc[nH]c1 ZINC000134263827 714284843 /nfs/dbraw/zinc/28/48/43/714284843.db2.gz QFKBSZDIBYZOMR-HNNXBMFYSA-N 1 1 333.819 2.768 20 10 EFCDMO Cc1cc(F)ncc1C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000891526104 714800545 /nfs/dbraw/zinc/80/05/45/714800545.db2.gz IRMGHTLBNZIHRW-UHFFFAOYSA-N 1 1 329.419 2.998 20 10 EFCDMO COc1ccccc1OCC[N@@H+](C)Cc1ccc(OC)c(OC)c1O ZINC000891704841 714964137 /nfs/dbraw/zinc/96/41/37/714964137.db2.gz LAIOMJKJISYOLO-UHFFFAOYSA-N 1 1 347.411 2.929 20 10 EFCDMO COc1ccc(C[N@H+]2CCC[C@H](c3ccnn3C)C2)c(O)c1OC ZINC000891755009 714998863 /nfs/dbraw/zinc/99/88/63/714998863.db2.gz SGQFNDZABGAWAY-ZDUSSCGKSA-N 1 1 331.416 2.523 20 10 EFCDMO COC(=O)C[C@@H]1C[N@H+](Cc2cc(C)cc(C(C)(C)C)c2O)CCO1 ZINC000176131813 715171320 /nfs/dbraw/zinc/17/13/20/715171320.db2.gz QEVPCHFFJOIAQO-OAHLLOKOSA-N 1 1 335.444 2.762 20 10 EFCDMO COC(=O)C[C@@H]1C[N@@H+](Cc2cc(C)cc(C(C)(C)C)c2O)CCO1 ZINC000176131813 715171321 /nfs/dbraw/zinc/17/13/21/715171321.db2.gz QEVPCHFFJOIAQO-OAHLLOKOSA-N 1 1 335.444 2.762 20 10 EFCDMO COc1ccc(C[N@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)c(O)c1OC ZINC000892223235 715373034 /nfs/dbraw/zinc/37/30/34/715373034.db2.gz HBNJZTHBTGOVAQ-ZFWWWQNUSA-N 1 1 331.416 2.689 20 10 EFCDMO Cc1cc(Br)cc(CN2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)c1O ZINC000141913939 723475343 /nfs/dbraw/zinc/47/53/43/723475343.db2.gz WQYHBHIFAIQADU-TXEJJXNPSA-N 1 1 327.266 2.988 20 10 EFCDMO COc1ccc(N2CC[NH+]([C@@H](C)C(=O)N3CCCCCC3)CC2)cc1 ZINC000052636425 716408505 /nfs/dbraw/zinc/40/85/05/716408505.db2.gz JOONRECLKNAYSK-KRWDZBQOSA-N 1 1 345.487 2.608 20 10 EFCDMO CC(C)(C)OC(=O)N1CC[C@@H]1C[NH2+]Cc1cc(F)cc(F)c1O ZINC000724925966 716422276 /nfs/dbraw/zinc/42/22/76/716422276.db2.gz NFHYXFJIFHDGNU-GFCCVEGCSA-N 1 1 328.359 2.769 20 10 EFCDMO CCC[N@H+]1C[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C(C)(C)C1 ZINC000977660518 716452901 /nfs/dbraw/zinc/45/29/01/716452901.db2.gz LXNFMPIQBWUYHZ-CQSZACIVSA-N 1 1 331.420 2.699 20 10 EFCDMO CCC[N@@H+](C)[C@@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001027698922 716561531 /nfs/dbraw/zinc/56/15/31/716561531.db2.gz UPJJYWUQXYSBFY-OAHLLOKOSA-N 1 1 331.420 2.795 20 10 EFCDMO COc1cccc(CN2CCN(CCOc3ccccc3)CC2)c1O ZINC000162857995 716916343 /nfs/dbraw/zinc/91/63/43/716916343.db2.gz MTUYSIGJXSSSGY-UHFFFAOYSA-N 1 1 342.439 2.597 20 10 EFCDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001023770464 716991533 /nfs/dbraw/zinc/99/15/33/716991533.db2.gz ZWWHEXWXXINBSR-AWEZNQCLSA-N 1 1 345.447 2.947 20 10 EFCDMO CCOC(=O)[C@H]1CC[N@H+](Cc2cccc(Br)c2O)C1 ZINC000896961849 723915795 /nfs/dbraw/zinc/91/57/95/723915795.db2.gz FRMCKLMZUZQETF-NSHDSACASA-N 1 1 328.206 2.540 20 10 EFCDMO CCOC(=O)[C@H]1CC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000896961849 723915797 /nfs/dbraw/zinc/91/57/97/723915797.db2.gz FRMCKLMZUZQETF-NSHDSACASA-N 1 1 328.206 2.540 20 10 EFCDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000162892244 717345452 /nfs/dbraw/zinc/34/54/52/717345452.db2.gz VSDKWEYVEDRLCH-GOSISDBHSA-N 1 1 346.519 2.920 20 10 EFCDMO C[N@H+]1CCCN(CCC[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000105476348 717488318 /nfs/dbraw/zinc/48/83/18/717488318.db2.gz RNZOEFAUHWRLQN-UHFFFAOYSA-N 1 1 346.302 2.816 20 10 EFCDMO CC[C@H](C)[N@@H+](C)CCNC(=O)NCc1ccc2c(c1)CCCN2C ZINC000066191449 718144673 /nfs/dbraw/zinc/14/46/73/718144673.db2.gz AKKSKRDVNPXDEJ-HNNXBMFYSA-N 1 1 332.492 2.599 20 10 EFCDMO C[C@@H]([NH2+]CCS(=O)(=O)C1CC1)c1cccc(C(F)(F)F)c1O ZINC000840884849 718348623 /nfs/dbraw/zinc/34/86/23/718348623.db2.gz SPTVUTIMDZWNNJ-SECBINFHSA-N 1 1 337.363 2.639 20 10 EFCDMO C[N@H+]1CCCC[C@H](CNC(=O)NCCCSc2nccs2)C1 ZINC000893645082 719066044 /nfs/dbraw/zinc/06/60/44/719066044.db2.gz GQRSIHGRQDHHSH-CYBMUJFWSA-N 1 1 342.534 2.656 20 10 EFCDMO C[C@@H](C[NH+]1CCCCC1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000237498313 720005840 /nfs/dbraw/zinc/00/58/40/720005840.db2.gz IYPDAXVNNHOJAP-INIZCTEOSA-N 1 1 335.467 2.626 20 10 EFCDMO COc1ccc(C[N@H+]2CCC[C@@](OC)(C(F)(F)F)C2)c(O)c1OC ZINC000893876769 720137576 /nfs/dbraw/zinc/13/75/76/720137576.db2.gz XIXKIDRMLLCPKR-HNNXBMFYSA-N 1 1 349.349 2.953 20 10 EFCDMO COc1ccc(N2CCC[N@@H+](CCC(=O)OC(C)(C)C)CC2)cc1 ZINC000053775249 721314420 /nfs/dbraw/zinc/31/44/20/721314420.db2.gz WNSXGPHSVLPZHB-UHFFFAOYSA-N 1 1 334.460 2.939 20 10 EFCDMO CC[N@H+]1C[C@@]2(C)CN(C(=O)c3ccc(N=NC(N)=O)cc3)C[C@@]2(C)C1 ZINC000982842459 721338246 /nfs/dbraw/zinc/33/82/46/721338246.db2.gz DIXGRLXJIXLEFX-HDICACEKSA-N 1 1 343.431 2.653 20 10 EFCDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001029014439 722640567 /nfs/dbraw/zinc/64/05/67/722640567.db2.gz ZKBJVZIEWIWNAB-ZDUSSCGKSA-N 1 1 331.420 2.557 20 10 EFCDMO COC(=O)[C@H]1CC[N@@H+](Cc2cc(Br)cc(F)c2[O-])[C@H]1C ZINC000894539126 722775954 /nfs/dbraw/zinc/77/59/54/722775954.db2.gz YCBLYCBKMLGDOV-KWQFWETISA-N 1 1 346.196 2.677 20 10 EFCDMO COC(=O)[C@H]1CC[N@@H+](Cc2cc(Br)cc(F)c2[O-])[C@@H]1C ZINC000894539124 722775965 /nfs/dbraw/zinc/77/59/65/722775965.db2.gz YCBLYCBKMLGDOV-KCJUWKMLSA-N 1 1 346.196 2.677 20 10 EFCDMO COc1cc(C)cc(C[N@H+]2CCCC[C@H]2COC(=O)N(C)C)c1O ZINC000894753690 722836705 /nfs/dbraw/zinc/83/67/05/722836705.db2.gz XJIMEPSRKKDXAD-HNNXBMFYSA-N 1 1 336.432 2.762 20 10 EFCDMO OCCC[C@@H]1CC[N@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000894960185 723035445 /nfs/dbraw/zinc/03/54/45/723035445.db2.gz WDJHZVGFGTXNTG-SNVBAGLBSA-N 1 1 332.213 2.888 20 10 EFCDMO OCCC[C@@H]1CC[N@@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000894960185 723035448 /nfs/dbraw/zinc/03/54/48/723035448.db2.gz WDJHZVGFGTXNTG-SNVBAGLBSA-N 1 1 332.213 2.888 20 10 EFCDMO COc1cc(C)cc(C[N@H+]2CCC[C@@H](N3CCCC3=O)CC2)c1O ZINC000895001713 723045750 /nfs/dbraw/zinc/04/57/50/723045750.db2.gz UGFFBDCYEAPVKP-MRXNPFEDSA-N 1 1 332.444 2.686 20 10 EFCDMO COc1ccc(C[N@@H+](C)C[C@@](C)(O)c2ccccc2)c(O)c1OC ZINC000895012393 723049678 /nfs/dbraw/zinc/04/96/78/723049678.db2.gz NGNCVFKNSTZNFI-LJQANCHMSA-N 1 1 331.412 2.749 20 10 EFCDMO COc1ccc(C[N@@H+](C)C[C@](C)(O)c2ccccc2)c(O)c1OC ZINC000895012392 723049738 /nfs/dbraw/zinc/04/97/38/723049738.db2.gz NGNCVFKNSTZNFI-IBGZPJMESA-N 1 1 331.412 2.749 20 10 EFCDMO COC(=O)CC[C@H]1CCC[N@@H+](Cc2ccc(OC)c(OC)c2O)C1 ZINC000895940337 723065315 /nfs/dbraw/zinc/06/53/15/723065315.db2.gz ZOPDFNSMKBBSFY-CYBMUJFWSA-N 1 1 337.416 2.575 20 10 EFCDMO COC(=O)c1cnc([C@@H](C)[NH2+]Cc2cc(C)cc(OC)c2O)s1 ZINC000895053817 723094486 /nfs/dbraw/zinc/09/44/86/723094486.db2.gz WOAFNCBTTMTLAI-SNVBAGLBSA-N 1 1 336.413 2.803 20 10 EFCDMO CC(C)(C)OC(=O)N1CCO[C@@]2(CC[N@@H+](Cc3ccccc3O)C2)C1 ZINC000896168195 723177471 /nfs/dbraw/zinc/17/74/71/723177471.db2.gz ODTRXFBLBULMQO-LJQANCHMSA-N 1 1 348.443 2.604 20 10 EFCDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)NCCCSc2nccs2)C1 ZINC000154580104 728809662 /nfs/dbraw/zinc/80/96/62/728809662.db2.gz ZUVPPSKPNMXRSQ-ZDUSSCGKSA-N 1 1 342.534 2.609 20 10 EFCDMO COc1c(O)c(C[NH2+]Cc2ccc3c(c2)C[C@H](C)O3)ccc1[N+](=O)[O-] ZINC000896829329 723514887 /nfs/dbraw/zinc/51/48/87/723514887.db2.gz QPAMNDPQMXHVBH-NSHDSACASA-N 1 1 344.367 2.922 20 10 EFCDMO COc1cc(Br)cc(CNCC[C@@H](C)[NH+](C)C)c1O ZINC000895300034 724007149 /nfs/dbraw/zinc/00/71/49/724007149.db2.gz RIDYDCFABVYCDK-SNVBAGLBSA-N 1 1 331.254 2.593 20 10 EFCDMO Oc1cc(F)c(Cl)cc1C[NH+]1CCC2(CC1)C[C@H](O)CCO2 ZINC000897259649 724140169 /nfs/dbraw/zinc/14/01/69/724140169.db2.gz TZMMESVICLKQSY-GFCCVEGCSA-N 1 1 329.799 2.691 20 10 EFCDMO COc1ccc(C2=NO[C@H](C[NH2+]Cc3cc(F)cc(F)c3O)C2)cc1 ZINC000895497797 724169337 /nfs/dbraw/zinc/16/93/37/724169337.db2.gz KMPHPPSMAMNNQV-HNNXBMFYSA-N 1 1 348.349 2.962 20 10 EFCDMO CCO/C=C/[C@](O)(C[NH2+]Cc1cc(F)cc(F)c1O)C(F)(F)F ZINC000895718803 724270490 /nfs/dbraw/zinc/27/04/90/724270490.db2.gz SNLFDCGKKGEBTA-OOPCZODUSA-N 1 1 341.276 2.604 20 10 EFCDMO CCn1cc(C[NH+]2CCN(c3ccc(OC)cc3OC)CC2)c(C)n1 ZINC000895816506 724329662 /nfs/dbraw/zinc/32/96/62/724329662.db2.gz FBBXBGVFODXAJH-UHFFFAOYSA-N 1 1 344.459 2.551 20 10 EFCDMO COc1cc2c(cc1O)CC[N@@H+](Cc1cc(C)cc(OC)c1O)C2 ZINC000895886930 724372645 /nfs/dbraw/zinc/37/26/45/724372645.db2.gz HVDDNLAGUHNWCV-UHFFFAOYSA-N 1 1 329.396 2.982 20 10 EFCDMO COc1ccc(O)c(C[N@@H+](C)C[C@H]2CCN2C(=O)OC(C)(C)C)c1 ZINC000897405438 725011064 /nfs/dbraw/zinc/01/10/64/725011064.db2.gz CWPQOUIMYXGKJQ-CQSZACIVSA-N 1 1 336.432 2.842 20 10 EFCDMO Cc1[nH+]ccn1CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000029937703 725793994 /nfs/dbraw/zinc/79/39/94/725793994.db2.gz IAJFLUVAMGKSLZ-UHFFFAOYSA-N 1 1 345.358 2.606 20 10 EFCDMO Cc1cc(O)c(C[NH+]2CCN(C(=O)N3CCCCC3)CC2)cc1C ZINC000026244756 725922911 /nfs/dbraw/zinc/92/29/11/725922911.db2.gz OAWZCWLVPKEIJB-UHFFFAOYSA-N 1 1 331.460 2.733 20 10 EFCDMO NC(=O)N=Nc1ccc(C(=O)N[C@@]23CCC[C@H]2[N@@H+](CCF)CC3)cc1 ZINC000992547850 725956376 /nfs/dbraw/zinc/95/63/76/725956376.db2.gz LYEYWTXNIVUYQL-RHSMWYFYSA-N 1 1 347.394 2.545 20 10 EFCDMO CC[N@H+]1CC[C@]2(NC(=O)c3ccc(N=NC(N)=O)cc3)CCC[C@H]12 ZINC000992547793 725959179 /nfs/dbraw/zinc/95/91/79/725959179.db2.gz LUEHLGIIJRHUHP-WMLDXEAASA-N 1 1 329.404 2.596 20 10 EFCDMO C[C@H]1CCC[N@@H+](CCNC(=O)NCCCSc2nccs2)C1 ZINC000152173430 725968011 /nfs/dbraw/zinc/96/80/11/725968011.db2.gz DIJUTNDZHSLXDU-ZDUSSCGKSA-N 1 1 342.534 2.656 20 10 EFCDMO COc1c(O)c(C[NH2+]CC(C)(C)C2CCOCC2)ccc1[N+](=O)[O-] ZINC000897446225 726213848 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ZINC000299558669 241181059 /nfs/dbraw/zinc/18/10/59/241181059.db2.gz ZCKFZAJEFIWXAB-UHFFFAOYSA-N 1 1 327.428 2.843 20 10 EFCDMO Cc1c2ccccc2n(C)c1CNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000350090414 241880663 /nfs/dbraw/zinc/88/06/63/241880663.db2.gz DQDOWCZHHKHOSB-HOCLYGCPSA-N 1 1 340.471 2.865 20 10 EFCDMO COC(=O)[C@H](CC(C)C)[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000365126134 242318072 /nfs/dbraw/zinc/31/80/72/242318072.db2.gz PXHQYJFOJZXQEU-SFHVURJKSA-N 1 1 334.460 2.841 20 10 EFCDMO C[C@@H]([NH2+]Cc1nnc2n1CCOC2)c1ccc(N2CCCCC2)cc1 ZINC000365156981 242318710 /nfs/dbraw/zinc/31/87/10/242318710.db2.gz QBJMHFOCZWVKHH-OAHLLOKOSA-N 1 1 341.459 2.649 20 10 EFCDMO CN(C)c1ccc(C[N@H+]2CCC[C@H](C(=O)Nc3ccccn3)C2)cc1 ZINC000367226767 242376653 /nfs/dbraw/zinc/37/66/53/242376653.db2.gz PVOFJVCVHCPETK-KRWDZBQOSA-N 1 1 338.455 2.998 20 10 EFCDMO Cc1cc(Br)cc(C[N@H+](C)[C@@H]2CCCCNC2=O)c1O ZINC000367728224 242389667 /nfs/dbraw/zinc/38/96/67/242389667.db2.gz UYOLFOBNGLLYGS-CYBMUJFWSA-N 1 1 341.249 2.564 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EFCDMO COc1cc(C)cc(C[N@H+]2CCc3nc(C4CC4)ncc3C2)c1O ZINC000530102866 317053375 /nfs/dbraw/zinc/05/33/75/317053375.db2.gz BUYVYOPYKOGWLZ-UHFFFAOYSA-N 1 1 325.412 2.935 20 10 EFCDMO CC(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000124128703 473214147 /nfs/dbraw/zinc/21/41/47/473214147.db2.gz KHMIZZSQPLPSBB-MRXNPFEDSA-N 1 1 335.467 2.876 20 10 EFCDMO CC(C)[C@@H](C[NH2+][C@H](C)c1cc(Cl)ccc1O)N1CCN(C)CC1 ZINC000184976980 473288610 /nfs/dbraw/zinc/28/86/10/473288610.db2.gz MSDMICLADWHTOF-RHSMWYFYSA-N 1 1 339.911 2.968 20 10 EFCDMO Cc1ccc(O)c([C@H](C)[NH2+]Cc2cccnc2N2CCN(C)CC2)c1 ZINC000185165773 473349166 /nfs/dbraw/zinc/34/91/66/473349166.db2.gz GZKMVULGHKMXRV-INIZCTEOSA-N 1 1 340.471 2.698 20 10 EFCDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000150938811 473383537 /nfs/dbraw/zinc/38/35/37/473383537.db2.gz ZRZQZBQIGQWTBX-QGZVFWFLSA-N 1 1 332.492 2.530 20 10 EFCDMO Cc1c2ccccc2n(C)c1CNC(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000349606754 475977812 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CN(C)c1ccc(C[NH+]2CCN(C(=O)c3ccc(F)cc3)CC2)cc1 ZINC000128739411 472491487 /nfs/dbraw/zinc/49/14/87/472491487.db2.gz OACIYAXNEHAVDL-UHFFFAOYSA-N 1 1 341.430 2.850 20 10 EFCDMO CC[N@@H+](Cc1cc(Br)ccc1O)[C@@H]1CCCCNC1=O ZINC000119216428 472536199 /nfs/dbraw/zinc/53/61/99/472536199.db2.gz RIDDXXUPUMLQAZ-CYBMUJFWSA-N 1 1 341.249 2.645 20 10 EFCDMO C[C@H]1CCC[N@@H+](CCNC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000046392391 472554369 /nfs/dbraw/zinc/55/43/69/472554369.db2.gz HZUPCJYGOKMQKV-INIZCTEOSA-N 1 1 332.492 2.626 20 10 EFCDMO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H](Cc3nccn3C)C2)c1O ZINC000090003493 472576833 /nfs/dbraw/zinc/57/68/33/472576833.db2.gz ZHXLMYMVHSHJNH-CQSZACIVSA-N 1 1 345.418 2.922 20 10 EFCDMO CC[N@H+]1CCCC[C@@H]1C(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000104289226 472664915 /nfs/dbraw/zinc/66/49/15/472664915.db2.gz QEILSOCOYDKPPN-LJQANCHMSA-N 1 1 345.487 2.608 20 10 EFCDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000120669218 472728241 /nfs/dbraw/zinc/72/82/41/472728241.db2.gz PULXXVFDERQMIE-APWZRJJASA-N 1 1 342.487 2.544 20 10 EFCDMO CCC[N@@H+](Cc1ccccc1O)[C@@H](C)C(=O)NC(=O)NC(C)(C)C ZINC000157068070 472781174 /nfs/dbraw/zinc/78/11/74/472781174.db2.gz QRKYYLKOMOAWGU-ZDUSSCGKSA-N 1 1 335.448 2.617 20 10 EFCDMO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccco1)OCO2 ZINC000091958897 472831795 /nfs/dbraw/zinc/83/17/95/472831795.db2.gz ZLXYXNFARGBQRO-UKRRQHHQSA-N 1 1 331.368 2.802 20 10 EFCDMO CCn1nc(C)c(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)c1C ZINC000121304014 472832509 /nfs/dbraw/zinc/83/25/09/472832509.db2.gz AIXRENBEQQTYJZ-UHFFFAOYSA-N 1 1 342.487 2.988 20 10 EFCDMO Cc1nc(N2CC[NH+](Cc3cc4c(cc3O)OCO4)CC2)sc1C ZINC000133793439 472841361 /nfs/dbraw/zinc/84/13/61/472841361.db2.gz HXNBFKNXERHYGF-UHFFFAOYSA-N 1 1 347.440 2.516 20 10 EFCDMO O=C(NC1CC1)[C@H]1CCC[N@@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000121476464 472856917 /nfs/dbraw/zinc/85/69/17/472856917.db2.gz NWICTSYXRNTYIN-CYBMUJFWSA-N 1 1 329.227 2.942 20 10 EFCDMO CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000079460486 472867610 /nfs/dbraw/zinc/86/76/10/472867610.db2.gz VVXHXOFQQAHSOP-QGZVFWFLSA-N 1 1 344.503 2.768 20 10 EFCDMO CCC[N@@H+](C)C[C@H]1CCN(c2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000121567996 472873653 /nfs/dbraw/zinc/87/36/53/472873653.db2.gz SCRKKARVROCDMY-CYBMUJFWSA-N 1 1 337.420 2.780 20 10 EFCDMO O=C(N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)c1cccnc1 ZINC000158029681 472884776 /nfs/dbraw/zinc/88/47/76/472884776.db2.gz FEKPPPJOGRKVIH-INIZCTEOSA-N 1 1 345.830 2.835 20 10 EFCDMO CNC(=O)[C@H]1CCCC[N@@H+]1Cc1cc(Br)cc(C)c1O ZINC000158027082 472884950 /nfs/dbraw/zinc/88/49/50/472884950.db2.gz NEWYLPVICHPDFJ-CYBMUJFWSA-N 1 1 341.249 2.564 20 10 EFCDMO CNC(=O)[C@H]1CCCC[N@H+]1Cc1cc(Br)cc(C)c1O ZINC000158027082 472884955 /nfs/dbraw/zinc/88/49/55/472884955.db2.gz NEWYLPVICHPDFJ-CYBMUJFWSA-N 1 1 341.249 2.564 20 10 EFCDMO CCN1CCN([C@@H]2CC[N@H+](Cc3c(O)ccc4ccccc43)C2)CC1 ZINC000106854742 472898942 /nfs/dbraw/zinc/89/89/42/472898942.db2.gz MGQCUCITKHUFBN-GOSISDBHSA-N 1 1 339.483 2.757 20 10 EFCDMO CCN1CCN([C@@H]2CC[N@@H+](Cc3c(O)ccc4ccccc43)C2)CC1 ZINC000106854742 472898949 /nfs/dbraw/zinc/89/89/49/472898949.db2.gz MGQCUCITKHUFBN-GOSISDBHSA-N 1 1 339.483 2.757 20 10 EFCDMO CCOc1ccc(O)c(C[N@@H+](C)C[C@@H](O)COCc2ccccc2)c1 ZINC000092472571 472918456 /nfs/dbraw/zinc/91/84/56/472918456.db2.gz ISBCPXIHTHVDIR-GOSISDBHSA-N 1 1 345.439 2.800 20 10 EFCDMO CS[C@H]1CCCC[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000134607129 472938158 /nfs/dbraw/zinc/93/81/58/472938158.db2.gz NYRNVKXHCSFAJD-KRWDZBQOSA-N 1 1 335.517 2.586 20 10 EFCDMO CCOc1cccc(C[N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1O ZINC000092704265 472968391 /nfs/dbraw/zinc/96/83/91/472968391.db2.gz GZXXVEOGBJPVEI-CQSZACIVSA-N 1 1 336.432 2.890 20 10 EFCDMO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(OC)c2O)C1 ZINC000092731235 472973030 /nfs/dbraw/zinc/97/30/30/472973030.db2.gz HPMPKMFPJGXRAQ-GOEBONIOSA-N 1 1 334.460 2.918 20 10 EFCDMO c1c[nH]c([C@H]2CCCC[N@H+]2Cc2ccc(N3CCOCC3)cc2)n1 ZINC000092729037 472973369 /nfs/dbraw/zinc/97/33/69/472973369.db2.gz GIGRESZBXOCDKO-GOSISDBHSA-N 1 1 326.444 2.974 20 10 EFCDMO c1c[nH]c([C@H]2CCCC[N@@H+]2Cc2ccc(N3CCOCC3)cc2)n1 ZINC000092729037 472973373 /nfs/dbraw/zinc/97/33/73/472973373.db2.gz GIGRESZBXOCDKO-GOSISDBHSA-N 1 1 326.444 2.974 20 10 EFCDMO CCCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(OCCC)cc2O)C1 ZINC000092734260 472974794 /nfs/dbraw/zinc/97/47/94/472974794.db2.gz NRDRCOCPLPCBSX-MRXNPFEDSA-N 1 1 334.460 2.919 20 10 EFCDMO CCOc1cccc(C[N@H+]2CCC[C@H](c3nnc4n3CCC4)C2)c1O ZINC000093134097 473048017 /nfs/dbraw/zinc/04/80/17/473048017.db2.gz YUEPXJWANBHVIU-HNNXBMFYSA-N 1 1 342.443 2.708 20 10 EFCDMO CCN(CC)c1ccc(C[N@@H+]2CC[C@H](N3CCN(CC)CC3)C2)cc1 ZINC000093133347 473049200 /nfs/dbraw/zinc/04/92/00/473049200.db2.gz PFUVQAIZYLHKKJ-NRFANRHFSA-N 1 1 344.547 2.745 20 10 EFCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@H](N3CCN(CC)CC3)C2)cc1 ZINC000093133347 473049205 /nfs/dbraw/zinc/04/92/05/473049205.db2.gz PFUVQAIZYLHKKJ-NRFANRHFSA-N 1 1 344.547 2.745 20 10 EFCDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000066179908 473056553 /nfs/dbraw/zinc/05/65/53/473056553.db2.gz AGXQCEXIAYYGIG-MRXNPFEDSA-N 1 1 332.492 2.816 20 10 EFCDMO CCCN(Cc1ccccc1O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000108928667 473066694 /nfs/dbraw/zinc/06/66/94/473066694.db2.gz QXXFQGRNXXNPIW-OAHLLOKOSA-N 1 1 331.460 2.798 20 10 EFCDMO CCN(CC)c1ccc(C[NH+]2CCN(Cc3noc(C)n3)CC2)cc1 ZINC000093274519 473072350 /nfs/dbraw/zinc/07/23/50/473072350.db2.gz JZSXRZUIBBEZFL-UHFFFAOYSA-N 1 1 343.475 2.542 20 10 EFCDMO CC(=O)c1cc(F)cc(C[N@@H+](C)[C@@H]2CCCc3c2cnn3C)c1O ZINC000135584867 473097179 /nfs/dbraw/zinc/09/71/79/473097179.db2.gz PTMMNXBYEJJTEK-MRXNPFEDSA-N 1 1 331.391 2.977 20 10 EFCDMO CC(=O)c1cc(F)cc(C[N@H+](C)[C@@H]2CCCc3c2cnn3C)c1O ZINC000135584867 473097184 /nfs/dbraw/zinc/09/71/84/473097184.db2.gz PTMMNXBYEJJTEK-MRXNPFEDSA-N 1 1 331.391 2.977 20 10 EFCDMO CCN(CC)c1ccc(C[N@H+](C)[C@H](C)CS(=O)(=O)CC)cc1 ZINC000093417407 473104999 /nfs/dbraw/zinc/10/49/99/473104999.db2.gz LOTZNXXTUFOFRK-OAHLLOKOSA-N 1 1 326.506 2.788 20 10 EFCDMO CCN(CC)c1ccc(C[N@@H+](C)[C@H](C)CS(=O)(=O)CC)cc1 ZINC000093417407 473105007 /nfs/dbraw/zinc/10/50/07/473105007.db2.gz LOTZNXXTUFOFRK-OAHLLOKOSA-N 1 1 326.506 2.788 20 10 EFCDMO C[C@H]([C@H](C)[N@H+](C)Cc1ccc(N2CCCCC2)cc1)S(C)(=O)=O ZINC000093420238 473106553 /nfs/dbraw/zinc/10/65/53/473106553.db2.gz PNXIDVZJYBOPIB-JKSUJKDBSA-N 1 1 338.517 2.930 20 10 EFCDMO C[C@H]([C@H](C)[N@@H+](C)Cc1ccc(N2CCCCC2)cc1)S(C)(=O)=O ZINC000093420238 473106556 /nfs/dbraw/zinc/10/65/56/473106556.db2.gz PNXIDVZJYBOPIB-JKSUJKDBSA-N 1 1 338.517 2.930 20 10 EFCDMO C[C@@H](C(=O)N1CCc2sccc2C1)[N@@H+](C)Cc1ccccc1O ZINC000109770655 473120001 /nfs/dbraw/zinc/12/00/01/473120001.db2.gz CREYFBDDTAIVNZ-ZDUSSCGKSA-N 1 1 330.453 2.859 20 10 EFCDMO O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1[O-] ZINC000093597351 473121578 /nfs/dbraw/zinc/12/15/78/473121578.db2.gz CGERMXMUELZICK-LBPRGKRZSA-N 1 1 339.823 2.872 20 10 EFCDMO O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1[O-] ZINC000093597351 473121582 /nfs/dbraw/zinc/12/15/82/473121582.db2.gz CGERMXMUELZICK-LBPRGKRZSA-N 1 1 339.823 2.872 20 10 EFCDMO c1cc(N2CCCCC2)ccc1C[N@@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000093663986 473132643 /nfs/dbraw/zinc/13/26/43/473132643.db2.gz GEHMHFGKVKDWCM-FQEVSTJZSA-N 1 1 343.515 2.831 20 10 EFCDMO COc1cc(Br)cc(C[N@H+]2CC[C@@]3(CCOC3)C2)c1O ZINC000093820039 473150113 /nfs/dbraw/zinc/15/01/13/473150113.db2.gz NBSXFTAEDZGDCW-OAHLLOKOSA-N 1 1 342.233 2.776 20 10 EFCDMO Cc1ccccc1CCNC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1O ZINC000111236239 473197669 /nfs/dbraw/zinc/19/76/69/473197669.db2.gz BGADNVGAEDBNML-MRXNPFEDSA-N 1 1 326.440 2.880 20 10 EFCDMO Cc1nc(CN2CC[NH+](Cc3ccc(N(C)C)cc3)CC2)cs1 ZINC000123929528 473198470 /nfs/dbraw/zinc/19/84/70/473198470.db2.gz BRCFNCMDVRSTGY-UHFFFAOYSA-N 1 1 330.501 2.835 20 10 EFCDMO COc1ccccc1[C@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1O ZINC000111236124 473198537 /nfs/dbraw/zinc/19/85/37/473198537.db2.gz DNAHWHYPMRDOIU-AWEZNQCLSA-N 1 1 328.412 2.710 20 10 EFCDMO C[C@H]([NH2+]C[C@H](O)COc1ccc(F)c(F)c1)c1ccc(F)cc1O ZINC000185374884 473410115 /nfs/dbraw/zinc/41/01/15/473410115.db2.gz CJQMENFJHGSNIJ-JQWIXIFHSA-N 1 1 341.329 2.900 20 10 EFCDMO COc1cc(OC)cc([C@H](O)C[NH2+][C@H](C)c2ccc(F)cc2O)c1 ZINC000185486953 473440588 /nfs/dbraw/zinc/44/05/88/473440588.db2.gz MCVMRQHRDZJWHB-ADLMAVQZSA-N 1 1 335.375 2.933 20 10 EFCDMO C[C@@H]1CCC[N@@H+](CCNC(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000125814050 473460114 /nfs/dbraw/zinc/46/01/14/473460114.db2.gz ONLDHYNXFZIXHT-QGZVFWFLSA-N 1 1 342.487 2.594 20 10 EFCDMO CSCC[C@@H](C)[N@@H+](C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000178894537 473585274 /nfs/dbraw/zinc/58/52/74/473585274.db2.gz ABXIFNICNKGCBO-OAHLLOKOSA-N 1 1 337.533 2.784 20 10 EFCDMO C[C@H]([NH2+]CCCN1C(=O)COc2ccccc21)c1ccc(F)cc1O ZINC000186078598 473585765 /nfs/dbraw/zinc/58/57/65/473585765.db2.gz MHTAYWMCTDBHKD-ZDUSSCGKSA-N 1 1 344.386 2.998 20 10 EFCDMO COc1ccccc1N1CC[C@@H]([NH2+][C@@H](C)c2ccc(F)cc2O)C1=O ZINC000186102057 473591510 /nfs/dbraw/zinc/59/15/10/473591510.db2.gz BWJNIEYGDXZMPQ-SWLSCSKDSA-N 1 1 344.386 2.996 20 10 EFCDMO COc1ccc(O)c([C@H](C)[NH2+]C2CCN([C@H]3CCCC[C@@H]3O)CC2)c1 ZINC000186127082 473596851 /nfs/dbraw/zinc/59/68/51/473596851.db2.gz QOYZJNRQEULAAP-DCPHZVHLSA-N 1 1 348.487 2.819 20 10 EFCDMO C[C@@H]([NH2+]C[C@H](C)N1CCN(C)CC1)c1ccc(N2CCCCC2)cc1 ZINC000127307874 473598592 /nfs/dbraw/zinc/59/85/92/473598592.db2.gz SZJRDBMGJNQJHA-RBUKOAKNSA-N 1 1 344.547 2.963 20 10 EFCDMO C[C@@H](c1ccncc1)[N@H+](C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000179138626 473636741 /nfs/dbraw/zinc/63/67/41/473636741.db2.gz YRYNLQJICPTHLV-INIZCTEOSA-N 1 1 340.471 2.799 20 10 EFCDMO C[C@@H](c1ccncc1)[N@@H+](C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000179138626 473636744 /nfs/dbraw/zinc/63/67/44/473636744.db2.gz YRYNLQJICPTHLV-INIZCTEOSA-N 1 1 340.471 2.799 20 10 EFCDMO C[N@H+](CC(=O)NCCC(C)(C)C)Cc1ccc(N2CCOCC2)cc1 ZINC000154090137 473667604 /nfs/dbraw/zinc/66/76/04/473667604.db2.gz FNAMCEVZNKMPCC-UHFFFAOYSA-N 1 1 347.503 2.507 20 10 EFCDMO C[N@@H+](CC(=O)NCCC(C)(C)C)Cc1ccc(N2CCOCC2)cc1 ZINC000154090137 473667607 /nfs/dbraw/zinc/66/76/07/473667607.db2.gz FNAMCEVZNKMPCC-UHFFFAOYSA-N 1 1 347.503 2.507 20 10 EFCDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)c1 ZINC000179344123 473677162 /nfs/dbraw/zinc/67/71/62/473677162.db2.gz XPZJSMCDHFBVTH-OAHLLOKOSA-N 1 1 332.444 2.529 20 10 EFCDMO COc1cc(O)c(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])cc1OC ZINC000179437541 473687717 /nfs/dbraw/zinc/68/77/17/473687717.db2.gz HRIYVZPGDOGJKY-UHFFFAOYSA-N 1 1 332.356 2.950 20 10 EFCDMO COc1cc(O)c(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cc1OC ZINC000179437541 473687720 /nfs/dbraw/zinc/68/77/20/473687720.db2.gz HRIYVZPGDOGJKY-UHFFFAOYSA-N 1 1 332.356 2.950 20 10 EFCDMO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3O)C2)nc1 ZINC000179559365 473694731 /nfs/dbraw/zinc/69/47/31/473694731.db2.gz AJOINSKTDNWNOD-INIZCTEOSA-N 1 1 325.412 2.946 20 10 EFCDMO O=C(c1c(F)cccc1F)N1CC[NH+](Cc2ccccc2O)CC1 ZINC000179564326 473695240 /nfs/dbraw/zinc/69/52/40/473695240.db2.gz AWODRNLXPQKTOL-UHFFFAOYSA-N 1 1 332.350 2.628 20 10 EFCDMO O=C(c1ccc(F)cc1F)N1CC[NH+](Cc2ccccc2O)CC1 ZINC000179568828 473695804 /nfs/dbraw/zinc/69/58/04/473695804.db2.gz OQIWCVBWUIYDOY-UHFFFAOYSA-N 1 1 332.350 2.628 20 10 EFCDMO COC(=O)C[C@@H]1CCC[N@H+]1Cc1cc(Br)ccc1O ZINC000179886954 473749327 /nfs/dbraw/zinc/74/93/27/473749327.db2.gz QHUXFEOMWWUSOG-LBPRGKRZSA-N 1 1 328.206 2.682 20 10 EFCDMO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2cc(OC)ccc2O)C1 ZINC000179938412 473757761 /nfs/dbraw/zinc/75/77/61/473757761.db2.gz VZXZEBNGMYUZLW-LSDHHAIUSA-N 1 1 334.460 2.918 20 10 EFCDMO Cc1cccc(C[NH+]2CCN(C(=O)c3ccc(F)cc3F)CC2)c1O ZINC000180025752 473779608 /nfs/dbraw/zinc/77/96/08/473779608.db2.gz YHEWDRFNVGBDAK-UHFFFAOYSA-N 1 1 346.377 2.937 20 10 EFCDMO COc1ccc(C[NH2+][C@H](CS(C)(=O)=O)c2ccccc2)cc1C ZINC000274316255 473779672 /nfs/dbraw/zinc/77/96/72/473779672.db2.gz WHFLBNAYFMRZBU-QGZVFWFLSA-N 1 1 333.453 2.879 20 10 EFCDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1cccc(O)c1O ZINC000187118773 473821675 /nfs/dbraw/zinc/82/16/75/473821675.db2.gz QUQHKYDVYUGLAE-OAHLLOKOSA-N 1 1 340.423 2.834 20 10 EFCDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cccc(O)c1O ZINC000187153625 473825870 /nfs/dbraw/zinc/82/58/70/473825870.db2.gz MXNTVNKTFFGYGO-INIZCTEOSA-N 1 1 340.423 2.692 20 10 EFCDMO Oc1ccc(F)cc1C[N@H+]1CCOC[C@H]1C[C@@H](O)c1ccccc1 ZINC000180278691 473845536 /nfs/dbraw/zinc/84/55/36/473845536.db2.gz NPVNMGSXHHKXLE-IEBWSBKVSA-N 1 1 331.387 2.856 20 10 EFCDMO Oc1ccc(F)cc1C[N@@H+]1CCOC[C@H]1C[C@@H](O)c1ccccc1 ZINC000180278691 473845542 /nfs/dbraw/zinc/84/55/42/473845542.db2.gz NPVNMGSXHHKXLE-IEBWSBKVSA-N 1 1 331.387 2.856 20 10 EFCDMO COc1cc(O)c(C[N@H+]2CCSC3(CCOCC3)C2)cc1OC ZINC000274516284 473859123 /nfs/dbraw/zinc/85/91/23/473859123.db2.gz NYUAWAAAKOFPMI-UHFFFAOYSA-N 1 1 339.457 2.507 20 10 EFCDMO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000269707125 473869585 /nfs/dbraw/zinc/86/95/85/473869585.db2.gz SWYDZABSZZVQHK-OAHLLOKOSA-N 1 1 335.517 2.538 20 10 EFCDMO Oc1c(F)cccc1C[N@H+]1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1 ZINC000281896784 473876648 /nfs/dbraw/zinc/87/66/48/473876648.db2.gz WUGJBSYNWUTZBE-MOPGFXCFSA-N 1 1 342.414 2.617 20 10 EFCDMO Oc1c(F)cccc1C[N@@H+]1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1 ZINC000281896784 473876653 /nfs/dbraw/zinc/87/66/53/473876653.db2.gz WUGJBSYNWUTZBE-MOPGFXCFSA-N 1 1 342.414 2.617 20 10 EFCDMO C[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(OCc4ccccc4)cc3O)C[C@@H]2C1 ZINC000194541664 473913696 /nfs/dbraw/zinc/91/36/96/473913696.db2.gz CEBDOSBEDODBDP-KDURUIRLSA-N 1 1 338.451 2.965 20 10 EFCDMO C[N@H+]1C[C@H]2CN(Cc3ccc(OCc4ccccc4)cc3O)C[C@H]2C1 ZINC000194541664 473913708 /nfs/dbraw/zinc/91/37/08/473913708.db2.gz CEBDOSBEDODBDP-KDURUIRLSA-N 1 1 338.451 2.965 20 10 EFCDMO C[N@@H+]1C[C@H]2CN(Cc3ccc(OCc4ccccc4)cc3O)C[C@H]2C1 ZINC000194541664 473913715 /nfs/dbraw/zinc/91/37/15/473913715.db2.gz CEBDOSBEDODBDP-KDURUIRLSA-N 1 1 338.451 2.965 20 10 EFCDMO CC[C@@H]([NH2+]CCc1n[nH]c(C)n1)c1cc(Br)ccc1O ZINC000274817007 473971118 /nfs/dbraw/zinc/97/11/18/473971118.db2.gz ZNSQTERIYAHQPD-GFCCVEGCSA-N 1 1 339.237 2.865 20 10 EFCDMO O=C(/C=C/c1ccc(O)c(O)c1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000181237605 474019011 /nfs/dbraw/zinc/01/90/11/474019011.db2.gz OMJKSYTZKXKQEA-GVSOGPONSA-N 1 1 342.439 2.586 20 10 EFCDMO O=C(/C=C/c1ccc(O)c(O)c1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000181237619 474019213 /nfs/dbraw/zinc/01/92/13/474019213.db2.gz OMJKSYTZKXKQEA-GRNKITJOSA-N 1 1 342.439 2.586 20 10 EFCDMO CCN(CC)c1ccc(CNC(=O)NCCn2cc[nH+]c2C)cc1F ZINC000264518714 474020961 /nfs/dbraw/zinc/02/09/61/474020961.db2.gz CEINHIJMWVUBBK-UHFFFAOYSA-N 1 1 347.438 2.676 20 10 EFCDMO C[N@H+](CC(=O)N1CCSc2ccccc21)Cc1ccccc1O ZINC000264694145 474091532 /nfs/dbraw/zinc/09/15/32/474091532.db2.gz IDMNYGNXPMRJFP-UHFFFAOYSA-N 1 1 328.437 2.963 20 10 EFCDMO C[N@@H+](CC(=O)N1CCSc2ccccc21)Cc1ccccc1O ZINC000264694145 474091544 /nfs/dbraw/zinc/09/15/44/474091544.db2.gz IDMNYGNXPMRJFP-UHFFFAOYSA-N 1 1 328.437 2.963 20 10 EFCDMO CCOc1cccc(C[N@H+]2CCC[C@@H](Cc3nccn3C)C2)c1O ZINC000182088863 474097688 /nfs/dbraw/zinc/09/76/88/474097688.db2.gz NNCAABLSMGELGM-HNNXBMFYSA-N 1 1 329.444 2.979 20 10 EFCDMO CN(C)c1ccc(CN(C(=O)NCC[N@@H+](C)C2CC2)C2CC2)cc1 ZINC000264889670 474159654 /nfs/dbraw/zinc/15/96/54/474159654.db2.gz SELNZHIMGMQGCE-UHFFFAOYSA-N 1 1 330.476 2.521 20 10 EFCDMO CS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000282823996 474207428 /nfs/dbraw/zinc/20/74/28/474207428.db2.gz UIJRNQVOSRRHAR-QGZVFWFLSA-N 1 1 331.437 2.678 20 10 EFCDMO C[C@@H]([NH2+]Cc1cc(Br)ccc1O)c1nnc2n1CCC2 ZINC000226036567 474237841 /nfs/dbraw/zinc/23/78/41/474237841.db2.gz XORDAFUOAYZJMJ-SECBINFHSA-N 1 1 337.221 2.543 20 10 EFCDMO C[NH+]1CCN(C(=O)CCSc2ncc(C(C)(C)C)s2)CC1 ZINC000282902723 474237855 /nfs/dbraw/zinc/23/78/55/474237855.db2.gz FBKQVUOQUPBCLC-UHFFFAOYSA-N 1 1 327.519 2.697 20 10 EFCDMO C[C@H]([NH2+]Cc1cc(Br)ccc1O)c1nnc2n1CCC2 ZINC000226036577 474238386 /nfs/dbraw/zinc/23/83/86/474238386.db2.gz XORDAFUOAYZJMJ-VIFPVBQESA-N 1 1 337.221 2.543 20 10 EFCDMO C[C@@H]1C[N@@H+](Cc2c(O)ccc3ccccc32)CCN1CC(C)(C)O ZINC000188966499 474248600 /nfs/dbraw/zinc/24/86/00/474248600.db2.gz UFVCIRHIEJCDTH-OAHLLOKOSA-N 1 1 328.456 2.822 20 10 EFCDMO C[C@@H]1CN(Cc2c(O)ccc3ccccc32)CC[N@@H+]1CC(C)(C)O ZINC000188966499 474248607 /nfs/dbraw/zinc/24/86/07/474248607.db2.gz UFVCIRHIEJCDTH-OAHLLOKOSA-N 1 1 328.456 2.822 20 10 EFCDMO CCN(C(C)=O)c1nc(C[NH2+]Cc2cccc(OC)c2O)cs1 ZINC000289469167 474283391 /nfs/dbraw/zinc/28/33/91/474283391.db2.gz PIDGSKYVOJOTNF-UHFFFAOYSA-N 1 1 335.429 2.520 20 10 EFCDMO CCCOc1ccc(C[N@@H+](CCCO)Cc2ccccn2)c(O)c1 ZINC000289466262 474284078 /nfs/dbraw/zinc/28/40/78/474284078.db2.gz OZDFLYILLSXGNG-UHFFFAOYSA-N 1 1 330.428 2.961 20 10 EFCDMO Cc1ccc(C(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c(O)c1O ZINC000182911649 474285107 /nfs/dbraw/zinc/28/51/07/474285107.db2.gz IGSSNMRWMGROFV-ZIAGYGMSSA-N 1 1 332.444 2.789 20 10 EFCDMO COc1c(O)c(C[N@H+]2CCC=C(c3ccncc3)C2)ccc1[N+](=O)[O-] ZINC000289529533 474310138 /nfs/dbraw/zinc/31/01/38/474310138.db2.gz HNTABRRLJBDKQM-UHFFFAOYSA-N 1 1 341.367 2.993 20 10 EFCDMO CCOc1ccc(O)c(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)c1 ZINC000289640884 474357973 /nfs/dbraw/zinc/35/79/73/474357973.db2.gz MHUROPOSTGUXMH-JSGCOSHPSA-N 1 1 333.350 2.784 20 10 EFCDMO Cc1cc(C(=O)NCC[N@H+]2CCCOCC2)c(C)n1-c1ccccc1 ZINC000189353816 474369847 /nfs/dbraw/zinc/36/98/47/474369847.db2.gz UYMVVYYRXDROJG-UHFFFAOYSA-N 1 1 341.455 2.546 20 10 EFCDMO CN(C)c1ccc(C[N@H+]2CCC[C@H](C(=O)NCC3CC3)C2)cc1F ZINC000271070899 474395097 /nfs/dbraw/zinc/39/50/97/474395097.db2.gz LTRKAOUDYLYEML-INIZCTEOSA-N 1 1 333.451 2.630 20 10 EFCDMO COc1cc(O)c(C[N@@H+]2CCO[C@H](c3ccccc3)C2)cc1OC ZINC000271110746 474401095 /nfs/dbraw/zinc/40/10/95/474401095.db2.gz UCKORMHTFDFBGV-IBGZPJMESA-N 1 1 329.396 2.983 20 10 EFCDMO COc1cc(O)c(C[N@H+]2CCO[C@H](c3ccccc3)C2)cc1OC ZINC000271110746 474401103 /nfs/dbraw/zinc/40/11/03/474401103.db2.gz UCKORMHTFDFBGV-IBGZPJMESA-N 1 1 329.396 2.983 20 10 EFCDMO COC(=O)c1cc(C[N@@H+](C)Cc2cc(OC)c(OC)cc2O)oc1C ZINC000271116674 474403278 /nfs/dbraw/zinc/40/32/78/474403278.db2.gz WKHUNRMKGRQKSP-UHFFFAOYSA-N 1 1 349.383 2.729 20 10 EFCDMO CN(C)c1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)cc1F ZINC000289821475 474442421 /nfs/dbraw/zinc/44/24/21/474442421.db2.gz TYBCTVFKURGZKW-CHWSQXEVSA-N 1 1 334.357 2.884 20 10 EFCDMO O=C(NCc1c(O)ccc2c1CCCC2)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000266687044 474447727 /nfs/dbraw/zinc/44/77/27/474447727.db2.gz DTDNWVWSYTWZIC-QZTJIDSGSA-N 1 1 343.471 2.697 20 10 EFCDMO O=C(NCc1c(O)ccc2c1CCCC2)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000266687035 474448031 /nfs/dbraw/zinc/44/80/31/474448031.db2.gz DTDNWVWSYTWZIC-MSOLQXFVSA-N 1 1 343.471 2.697 20 10 EFCDMO COC(=O)[C@H]1[C@@H](O)CCC[N@@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000276210619 474453221 /nfs/dbraw/zinc/45/32/21/474453221.db2.gz LDNBMQDJAAFUGV-RBUKOAKNSA-N 1 1 341.407 2.558 20 10 EFCDMO COC(=O)[C@H]1[C@@H](O)CCC[N@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000276210619 474453226 /nfs/dbraw/zinc/45/32/26/474453226.db2.gz LDNBMQDJAAFUGV-RBUKOAKNSA-N 1 1 341.407 2.558 20 10 EFCDMO COC(=O)[C@@H]1[C@@H](O)CCC[N@@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000276210610 474453986 /nfs/dbraw/zinc/45/39/86/474453986.db2.gz LDNBMQDJAAFUGV-OALUTQOASA-N 1 1 341.407 2.558 20 10 EFCDMO COC(=O)[C@@H]1[C@@H](O)CCC[N@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000276210610 474453989 /nfs/dbraw/zinc/45/39/89/474453989.db2.gz LDNBMQDJAAFUGV-OALUTQOASA-N 1 1 341.407 2.558 20 10 EFCDMO Cn1ccnc1[C@@H](O)[C@H]1CCC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000271276122 474471325 /nfs/dbraw/zinc/47/13/25/474471325.db2.gz KYSTYXVQLNKAMJ-LRDDRELGSA-N 1 1 335.835 2.725 20 10 EFCDMO Cn1ccnc1[C@H](O)[C@H]1CCC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000271276119 474471459 /nfs/dbraw/zinc/47/14/59/474471459.db2.gz KYSTYXVQLNKAMJ-BLLLJJGKSA-N 1 1 335.835 2.725 20 10 EFCDMO Cc1[nH+]ccn1CCNC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000266858097 474505066 /nfs/dbraw/zinc/50/50/66/474505066.db2.gz ROUSUWVRFQHBPB-UHFFFAOYSA-N 1 1 343.475 2.878 20 10 EFCDMO COc1c(O)c(C[N@@H+]2CCCCC[C@H]2C[C@@H](C)O)ccc1[N+](=O)[O-] ZINC000289987219 474517386 /nfs/dbraw/zinc/51/73/86/474517386.db2.gz ZZTWCBJUZKUJHN-OCCSQVGLSA-N 1 1 338.404 2.825 20 10 EFCDMO COc1c(O)c(C[N@H+]2CCCCC[C@H]2C[C@@H](C)O)ccc1[N+](=O)[O-] ZINC000289987219 474517390 /nfs/dbraw/zinc/51/73/90/474517390.db2.gz ZZTWCBJUZKUJHN-OCCSQVGLSA-N 1 1 338.404 2.825 20 10 EFCDMO C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1O)c1ncnn1C ZINC000276696589 474568932 /nfs/dbraw/zinc/56/89/32/474568932.db2.gz VJWZQAGYBWQLNB-DTWKUNHWSA-N 1 1 325.210 2.695 20 10 EFCDMO COc1c(O)c(C[N@H+]2CCC[C@@H]2c2c(C)n[nH]c2C)ccc1[N+](=O)[O-] ZINC000290377338 474569330 /nfs/dbraw/zinc/56/93/30/474569330.db2.gz HWSDZFVQSHOMIS-CYBMUJFWSA-N 1 1 346.387 2.986 20 10 EFCDMO Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000290379504 474569826 /nfs/dbraw/zinc/56/98/26/474569826.db2.gz HZMFDVVSOANFLM-UHFFFAOYSA-N 1 1 338.795 2.981 20 10 EFCDMO Cc1[nH+]ccn1CCC[N@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000290379504 474569831 /nfs/dbraw/zinc/56/98/31/474569831.db2.gz HZMFDVVSOANFLM-UHFFFAOYSA-N 1 1 338.795 2.981 20 10 EFCDMO COc1c(O)c(C[N@H+]2CCC[C@H]2c2c(C)n[nH]c2C)ccc1[N+](=O)[O-] ZINC000290377341 474570122 /nfs/dbraw/zinc/57/01/22/474570122.db2.gz HWSDZFVQSHOMIS-ZDUSSCGKSA-N 1 1 346.387 2.986 20 10 EFCDMO CCc1nnc([C@@H](C)[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)[nH]1 ZINC000271532835 474581141 /nfs/dbraw/zinc/58/11/41/474581141.db2.gz PVPGXSLSQZCJKG-UONOGXRCSA-N 1 1 329.448 2.616 20 10 EFCDMO CC(C)[N@H+](C)C[C@@H](C)NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000290635303 474581563 /nfs/dbraw/zinc/58/15/63/474581563.db2.gz HLYYFVVYIIKQII-MRXNPFEDSA-N 1 1 332.492 2.815 20 10 EFCDMO C[NH+](C)[C@@H]1CCC[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000277316682 474581681 /nfs/dbraw/zinc/58/16/81/474581681.db2.gz BXCRPAHBVPAUCQ-CYBMUJFWSA-N 1 1 327.812 2.870 20 10 EFCDMO C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000277316682 474581685 /nfs/dbraw/zinc/58/16/85/474581685.db2.gz BXCRPAHBVPAUCQ-CYBMUJFWSA-N 1 1 327.812 2.870 20 10 EFCDMO CS(=O)(=O)[C@H]1CCCC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000277479951 474587390 /nfs/dbraw/zinc/58/73/90/474587390.db2.gz BLMRPLDYHCFZSI-HNNXBMFYSA-N 1 1 333.453 2.945 20 10 EFCDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@@H](Cn3ccnn3)C2)c1O ZINC000184703514 474589859 /nfs/dbraw/zinc/58/98/59/474589859.db2.gz VBNHXUAXDMRNCX-GFCCVEGCSA-N 1 1 336.823 2.558 20 10 EFCDMO CC[N@@H+](CCc1ccnn1C)Cc1cc(Br)ccc1O ZINC000284211236 474596045 /nfs/dbraw/zinc/59/60/45/474596045.db2.gz AJINFEFSCOWEER-UHFFFAOYSA-N 1 1 338.249 2.953 20 10 EFCDMO COc1cc(O)c(C[N@@H+]2CCC[C@@H]2C(=O)OC(C)(C)C)cc1OC ZINC000271873196 474596156 /nfs/dbraw/zinc/59/61/56/474596156.db2.gz SNOACRZDJJARHT-CYBMUJFWSA-N 1 1 337.416 2.716 20 10 EFCDMO COc1cc(O)c(C[N@H+]2CCC[C@@H]2C(=O)OC(C)(C)C)cc1OC ZINC000271873196 474596163 /nfs/dbraw/zinc/59/61/63/474596163.db2.gz SNOACRZDJJARHT-CYBMUJFWSA-N 1 1 337.416 2.716 20 10 EFCDMO COc1c(O)c(CN(C)CC[C@@H]2CCCC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000278202711 474603686 /nfs/dbraw/zinc/60/36/86/474603686.db2.gz JIWJMPPAMCSUEL-AWEZNQCLSA-N 1 1 337.420 2.615 20 10 EFCDMO COc1c(O)c(C[NH2+]C[C@H]2CCCO[C@@H]2C(C)C)ccc1[N+](=O)[O-] ZINC000278306994 474606633 /nfs/dbraw/zinc/60/66/33/474606633.db2.gz DKUHXHNNUGGNKZ-CZUORRHYSA-N 1 1 338.404 2.850 20 10 EFCDMO COc1c(O)c(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)ccc1[N+](=O)[O-] ZINC000278297799 474606810 /nfs/dbraw/zinc/60/68/10/474606810.db2.gz COEUCAFDTLJJDW-CSMYWGQOSA-N 1 1 348.399 2.746 20 10 EFCDMO COc1c(O)c(C[NH2+]C[C@@H](C)Oc2ccccc2)ccc1[N+](=O)[O-] ZINC000278468573 474652671 /nfs/dbraw/zinc/65/26/71/474652671.db2.gz GTBIHXOTMUVFQC-GFCCVEGCSA-N 1 1 332.356 2.866 20 10 EFCDMO COc1c(O)c(C[NH2+]CCc2ccccc2[N+](=O)[O-])ccc1[N+](=O)[O-] ZINC000278530405 474684173 /nfs/dbraw/zinc/68/41/73/474684173.db2.gz UWTFNUMOHAXOFQ-UHFFFAOYSA-N 1 1 347.327 2.550 20 10 EFCDMO COc1ccc(O)c(C[N@H+]2CCC[C@@H](Oc3ncccc3F)C2)c1 ZINC000278721021 474795243 /nfs/dbraw/zinc/79/52/43/474795243.db2.gz QLXBVEFGEYNVBO-OAHLLOKOSA-N 1 1 332.375 2.978 20 10 EFCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)c2ccc(OC)cc2)c1 ZINC000273363646 474859376 /nfs/dbraw/zinc/85/93/76/474859376.db2.gz DJUKUSJUFHSYBM-KZULUSFZSA-N 1 1 345.395 2.572 20 10 EFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)c2ccc(C)cc2)c1 ZINC000273362710 474859581 /nfs/dbraw/zinc/85/95/81/474859581.db2.gz DHNIMEHDFQYWOC-SCLBCKFNSA-N 1 1 329.396 2.871 20 10 EFCDMO CCC[N@H+](CC(=O)OC(C)(C)C)Cc1cc(OC)c(OC)cc1O ZINC000273367889 474863533 /nfs/dbraw/zinc/86/35/33/474863533.db2.gz DOARYUKRRVBPJF-UHFFFAOYSA-N 1 1 339.432 2.963 20 10 EFCDMO CCC[N@@H+](CC(=O)OC(C)(C)C)Cc1cc(OC)c(OC)cc1O ZINC000273367889 474863539 /nfs/dbraw/zinc/86/35/39/474863539.db2.gz DOARYUKRRVBPJF-UHFFFAOYSA-N 1 1 339.432 2.963 20 10 EFCDMO COc1cc(O)c(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])cc1OC ZINC000285021525 474865855 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EFCDMO COc1cc(O)c(C[N@H+]2CCC[C@@](O)(C(F)(F)F)CC2)cc1OC ZINC000285237473 474940720 /nfs/dbraw/zinc/94/07/20/474940720.db2.gz VWRRHWKWWUPMIB-HNNXBMFYSA-N 1 1 349.349 2.689 20 10 EFCDMO C[C@@H]1C[C@H](N2CCOCC2)C[N@H+]1Cc1c(O)ccc2ccccc21 ZINC000285266955 474950608 /nfs/dbraw/zinc/95/06/08/474950608.db2.gz YILPVDFBBRBPBO-WBVHZDCISA-N 1 1 326.440 2.840 20 10 EFCDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cccc(O)c1O ZINC000279425100 474974857 /nfs/dbraw/zinc/97/48/57/474974857.db2.gz YQYMDIZTGFTUNE-RHSMWYFYSA-N 1 1 340.423 2.738 20 10 EFCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@@](C)(O)c2cccs2)c1 ZINC000273588271 474977621 /nfs/dbraw/zinc/97/76/21/474977621.db2.gz OJRXIXXSFOWAIU-PIGZYNQJSA-N 1 1 335.425 2.799 20 10 EFCDMO CC(=O)c1cc(F)cc(C[N@H+](C)[C@@H](CC(N)=O)c2ccccc2)c1O ZINC000280329986 475020493 /nfs/dbraw/zinc/02/04/93/475020493.db2.gz HPHHCDXIDOAXGS-KRWDZBQOSA-N 1 1 344.386 2.782 20 10 EFCDMO CC[C@@H]([NH2+]CC1(S(C)(=O)=O)CCCC1)c1ccc(F)cc1O ZINC000285591393 475030920 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332.536 2.519 20 10 EFCDMO CC[C@@H]([NH2+][C@@H](CC(C)C)C(=O)NCCOC)c1ccc(F)cc1O ZINC000286325129 475060735 /nfs/dbraw/zinc/06/07/35/475060735.db2.gz YDLBQWJZBDUHNB-CVEARBPZSA-N 1 1 340.439 2.749 20 10 EFCDMO COC(=O)C[C@@H]1CSCC[N@H+]1Cc1cc(Cl)cc(OC)c1O ZINC000273807398 475060970 /nfs/dbraw/zinc/06/09/70/475060970.db2.gz YDAOMAUALXTNGV-GFCCVEGCSA-N 1 1 345.848 2.535 20 10 EFCDMO COc1c(O)c(C[NH2+]CC(C)(C)c2ccccn2)ccc1[N+](=O)[O-] ZINC000294673090 475078312 /nfs/dbraw/zinc/07/83/12/475078312.db2.gz AZQGZUUMPGHQCW-UHFFFAOYSA-N 1 1 331.372 2.771 20 10 EFCDMO CN1CCCc2cc(CNC(=O)c3cnn(-c4cc[nH+]cc4)c3)ccc21 ZINC000294745350 475079284 /nfs/dbraw/zinc/07/92/84/475079284.db2.gz OQACEWGXEIUVOW-UHFFFAOYSA-N 1 1 347.422 2.580 20 10 EFCDMO COc1ccc(O)c(C[N@@H+](Cc2cccc(C(N)=O)c2)C2CC2)c1 ZINC000294828371 475084412 /nfs/dbraw/zinc/08/44/12/475084412.db2.gz PTBNUYPMUNJCFQ-UHFFFAOYSA-N 1 1 326.396 2.664 20 10 EFCDMO Cn1cc([C@H]2OCCC[C@@H]2[NH2+]Cc2cc(Cl)c(F)cc2O)cn1 ZINC000294851938 475086726 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EFCDMO C[C@@H](NC(=O)c1c(F)ccc(O)c1O)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000295695594 475131862 /nfs/dbraw/zinc/13/18/62/475131862.db2.gz PCJMFGUBOJYYAI-VXGBXAGGSA-N 1 1 336.407 2.620 20 10 EFCDMO COCCc1cc[nH+]c(N[C@@H](C)c2cc(C(=O)OC)ccc2O)c1 ZINC000287507357 475178071 /nfs/dbraw/zinc/17/80/71/475178071.db2.gz NZINSHJTHGWNLG-LBPRGKRZSA-N 1 1 330.384 2.936 20 10 EFCDMO Cc1cccc(C[N@H+]2CCC[C@@H](NC(=O)C(F)(F)F)[C@H]2C)c1O ZINC000292744111 475179587 /nfs/dbraw/zinc/17/95/87/475179587.db2.gz HUIFEQQPRFXOAZ-DGCLKSJQSA-N 1 1 330.350 2.732 20 10 EFCDMO Cc1cccc(C[N@@H+]2CCC[C@@H](NC(=O)C(F)(F)F)[C@H]2C)c1O ZINC000292744111 475179591 /nfs/dbraw/zinc/17/95/91/475179591.db2.gz HUIFEQQPRFXOAZ-DGCLKSJQSA-N 1 1 330.350 2.732 20 10 EFCDMO CCCC[N@@H+](Cc1ccc(N(C)C)c(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000292774400 475191315 /nfs/dbraw/zinc/19/13/15/475191315.db2.gz JYGOGRIOCAMBCG-KRWDZBQOSA-N 1 1 338.517 2.850 20 10 EFCDMO Cc1c2ccccc2n(C)c1CNC(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000348634982 475790160 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2.763 20 10 EFCDMO CN(C)c1ccc(C[N@H+]2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)cc1 ZINC000373166911 476382036 /nfs/dbraw/zinc/38/20/36/476382036.db2.gz OZSBGGDHQKYWIO-MOPGFXCFSA-N 1 1 328.460 2.574 20 10 EFCDMO CN(C)c1ccc(C[N@H+]2CC[C@]3(C2)c2ccccc2NC3=O)cc1F ZINC000373531364 476413018 /nfs/dbraw/zinc/41/30/18/476413018.db2.gz DVJDRDLOEARCHL-FQEVSTJZSA-N 1 1 339.414 2.988 20 10 EFCDMO COc1ccc(CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)c(O)c1 ZINC000373696935 476421314 /nfs/dbraw/zinc/42/13/14/476421314.db2.gz PSBYHGGOXGCPQG-OAHLLOKOSA-N 1 1 332.444 2.672 20 10 EFCDMO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CC[C@H](c3ccco3)C2)cc1 ZINC000374007868 476447302 /nfs/dbraw/zinc/44/73/02/476447302.db2.gz LKGHYYRJVVQGMI-KRWDZBQOSA-N 1 1 341.455 2.794 20 10 EFCDMO CN(C)c1ccc(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)cc1F ZINC000374254316 476463824 /nfs/dbraw/zinc/46/38/24/476463824.db2.gz DHWSADLJDOBALB-VQIMIIECSA-N 1 1 346.450 2.713 20 10 EFCDMO CN(Cc1ccccc1O)C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000374349134 476472750 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2.895 20 10 EFCDMO COc1cc(C[N@@H+]2CCN3C(=O)CC[C@H]3C2)c(O)c(C(C)(C)C)c1 ZINC000824650337 1278214460 /nfs/dbraw/zinc/21/44/60/1278214460.db2.gz OHTVNZSTBHKKNI-AWEZNQCLSA-N 1 1 332.444 2.505 20 10 EFCDMO COc1cc(C[N@H+]2CCN3C(=O)CC[C@H]3C2)c(O)c(C(C)(C)C)c1 ZINC000824650337 1278214467 /nfs/dbraw/zinc/21/44/67/1278214467.db2.gz OHTVNZSTBHKKNI-AWEZNQCLSA-N 1 1 332.444 2.505 20 10 EFCDMO Cc1nn(C)c(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c1Cl ZINC000922262989 1265147314 /nfs/dbraw/zinc/14/73/14/1265147314.db2.gz NCHSHEQHIIQANP-UHFFFAOYSA-N 1 1 348.878 2.633 20 10 EFCDMO CN(C)c1ccc(C[N@H+](C)CN2C[C@H](c3ccccn3)CC2=O)cc1 ZINC000733290799 1265160745 /nfs/dbraw/zinc/16/07/45/1265160745.db2.gz BNTJNDTYIXXIBZ-QGZVFWFLSA-N 1 1 338.455 2.553 20 10 EFCDMO CN(C)c1ccc(C[N@@H+](C)CN2C[C@H](c3ccccn3)CC2=O)cc1 ZINC000733290799 1265160752 /nfs/dbraw/zinc/16/07/52/1265160752.db2.gz BNTJNDTYIXXIBZ-QGZVFWFLSA-N 1 1 338.455 2.553 20 10 EFCDMO CC[C@@H](C)N1C(=O)C[C@]2(CCC[N@H+](Cc3c(O)cccc3F)C2)C1=O ZINC001273265370 1265209174 /nfs/dbraw/zinc/20/91/74/1265209174.db2.gz FVAILHVJTNSBIW-YJYMSZOUSA-N 1 1 348.418 2.671 20 10 EFCDMO CC[C@@H](C)N1C(=O)C[C@]2(CCC[N@@H+](Cc3c(O)cccc3F)C2)C1=O ZINC001273265370 1265209179 /nfs/dbraw/zinc/20/91/79/1265209179.db2.gz FVAILHVJTNSBIW-YJYMSZOUSA-N 1 1 348.418 2.671 20 10 EFCDMO O[C@@H]1CCC[C@@H]1[C@@H]1CCC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000824714813 1278259549 /nfs/dbraw/zinc/25/95/49/1278259549.db2.gz HEQRUAJMRKBDTC-HSALFYBXSA-N 1 1 330.472 2.649 20 10 EFCDMO O=C1C[C@]2(CN1CC(F)F)CCCC[N@H+]2Cc1c(O)cccc1F ZINC001273266229 1265247599 /nfs/dbraw/zinc/24/75/99/1265247599.db2.gz UCURAVBIRHCNOM-KRWDZBQOSA-N 1 1 342.361 2.753 20 10 EFCDMO O=C1C[C@]2(CN1CC(F)F)CCCC[N@@H+]2Cc1c(O)cccc1F ZINC001273266229 1265247606 /nfs/dbraw/zinc/24/76/06/1265247606.db2.gz UCURAVBIRHCNOM-KRWDZBQOSA-N 1 1 342.361 2.753 20 10 EFCDMO CC[C@H](C)N1C[C@@]2(CC[N@@H+](Cc3c(C)ccc(C)c3O)C2)OCC1=O ZINC001273049056 1266786326 /nfs/dbraw/zinc/78/63/26/1266786326.db2.gz JRCKWHXNJHREBO-JXFKEZNVSA-N 1 1 346.471 2.611 20 10 EFCDMO Cc1cc(O)c(CN2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1Cl ZINC000824761816 1278286839 /nfs/dbraw/zinc/28/68/39/1278286839.db2.gz KKKSCYOWEJDMDS-MRXNPFEDSA-N 1 1 337.895 2.566 20 10 EFCDMO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000734286056 1266938309 /nfs/dbraw/zinc/93/83/09/1266938309.db2.gz YHYQJTBOTWYNOP-INIZCTEOSA-N 1 1 330.476 2.521 20 10 EFCDMO Oc1cc2c(cc1C[NH+]1CCN(c3cccc(F)c3F)CC1)OCO2 ZINC000734476965 1266996336 /nfs/dbraw/zinc/99/63/36/1266996336.db2.gz ZMIQUYJAHDRCBV-UHFFFAOYSA-N 1 1 348.349 2.721 20 10 EFCDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)NCc1ccc(N(C)C)cc1C ZINC000734663027 1267066875 /nfs/dbraw/zinc/06/68/75/1267066875.db2.gz IKLBWIUOKHHVCT-CQSZACIVSA-N 1 1 343.475 2.701 20 10 EFCDMO CC[N@H+]1CCC[C@H](CNC(=O)NCc2ccc(N(C)C)cc2C)C1 ZINC000734667663 1267069145 /nfs/dbraw/zinc/06/91/45/1267069145.db2.gz KVHQUKISPUVXOS-MRXNPFEDSA-N 1 1 332.492 2.592 20 10 EFCDMO CO[C@@H]1CC[N@H+](Cc2ccc(N3CCN(C)CC3)cc2)CC1(C)C ZINC000824821149 1278305426 /nfs/dbraw/zinc/30/54/26/1278305426.db2.gz VJCUUFGKRZJLJC-LJQANCHMSA-N 1 1 331.504 2.685 20 10 EFCDMO CO[C@@H]1CC[N@@H+](Cc2ccc(N3CCN(C)CC3)cc2)CC1(C)C ZINC000824821149 1278305436 /nfs/dbraw/zinc/30/54/36/1278305436.db2.gz VJCUUFGKRZJLJC-LJQANCHMSA-N 1 1 331.504 2.685 20 10 EFCDMO Cc1cccc(C[N@H+]2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)c1O ZINC000824832434 1278324800 /nfs/dbraw/zinc/32/48/00/1278324800.db2.gz YLIXHVDQECYZJJ-JSGCOSHPSA-N 1 1 342.361 2.543 20 10 EFCDMO Cc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)c1O ZINC000824832438 1278325626 /nfs/dbraw/zinc/32/56/26/1278325626.db2.gz YLIXHVDQECYZJJ-TZMCWYRMSA-N 1 1 342.361 2.543 20 10 EFCDMO COC(=O)C[N@H+](Cc1cc(Cl)c(C)cc1O)C1CCOCC1 ZINC000824894989 1278331176 /nfs/dbraw/zinc/33/11/76/1278331176.db2.gz NNOQBLXEZAWKEV-UHFFFAOYSA-N 1 1 327.808 2.508 20 10 EFCDMO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1cccc(O)c1O ZINC000186754966 1267680351 /nfs/dbraw/zinc/68/03/51/1267680351.db2.gz YRWMVZCDZGNHAK-CQSZACIVSA-N 1 1 330.384 2.648 20 10 EFCDMO O=C1N(CC(F)F)CC[C@@]12CCC[N@H+]2Cc1c(O)cccc1Cl ZINC001273107833 1267772268 /nfs/dbraw/zinc/77/22/68/1267772268.db2.gz GICWFYVTPGMLBW-INIZCTEOSA-N 1 1 344.789 2.878 20 10 EFCDMO O=C1N(CC(F)F)CC[C@@]12CCC[N@@H+]2Cc1c(O)cccc1Cl ZINC001273107833 1267772273 /nfs/dbraw/zinc/77/22/73/1267772273.db2.gz GICWFYVTPGMLBW-INIZCTEOSA-N 1 1 344.789 2.878 20 10 EFCDMO COc1c(O)c(C[N@@H+](C)[C@H]2C[C@H](OC)C23CCC3)ccc1[N+](=O)[O-] ZINC000825104429 1278399319 /nfs/dbraw/zinc/39/93/19/1278399319.db2.gz WWOZWAMWDDLYHY-KBPBESRZSA-N 1 1 336.388 2.698 20 10 EFCDMO COc1c(O)c(C[N@H+](C)[C@H]2C[C@H](OC)C23CCC3)ccc1[N+](=O)[O-] ZINC000825104429 1278399332 /nfs/dbraw/zinc/39/93/32/1278399332.db2.gz WWOZWAMWDDLYHY-KBPBESRZSA-N 1 1 336.388 2.698 20 10 EFCDMO Cc1cc(O)c(C[NH2+]C[C@@H](C(C)C)N2CCN(C)CC2)cc1Cl ZINC000825097731 1278409848 /nfs/dbraw/zinc/40/98/48/1278409848.db2.gz XZXXRDSTWSHIOU-KRWDZBQOSA-N 1 1 339.911 2.716 20 10 EFCDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)NCc2ccc(N(C)C)cc2C)C1 ZINC000749198119 1268514682 /nfs/dbraw/zinc/51/46/82/1268514682.db2.gz BGIYGPAOGUDFAM-MRXNPFEDSA-N 1 1 332.492 2.544 20 10 EFCDMO CC(C)CN1CC[C@]2(CCC[N@H+]2Cc2cc(F)c(F)cc2[O-])C1=O ZINC001273378870 1269276615 /nfs/dbraw/zinc/27/66/15/1269276615.db2.gz QKIDDKVEMGAMBP-GOSISDBHSA-N 1 1 338.398 2.893 20 10 EFCDMO CC(C)=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001085994701 1269449927 /nfs/dbraw/zinc/44/99/27/1269449927.db2.gz RXMPWFOAPKUCNP-MRXNPFEDSA-N 1 1 343.431 2.962 20 10 EFCDMO CN(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000825279118 1278490638 /nfs/dbraw/zinc/49/06/38/1278490638.db2.gz OHMQFRMUADOJBO-GOSISDBHSA-N 1 1 344.503 2.913 20 10 EFCDMO C[N@H+]1CCCC[C@H](C[NH2+]Cc2cccc(Br)c2[O-])C1 ZINC000700809400 1269548883 /nfs/dbraw/zinc/54/88/83/1269548883.db2.gz PIPIOACPGNTFHZ-GFCCVEGCSA-N 1 1 327.266 2.976 20 10 EFCDMO CCN(C)c1ccc(C[N@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)cc1 ZINC000741754776 1269690057 /nfs/dbraw/zinc/69/00/57/1269690057.db2.gz XHTGAGVULNIQGL-GOSISDBHSA-N 1 1 329.488 2.881 20 10 EFCDMO CN(C(=O)c1ccc(N=NC(N)=O)cc1)[C@H]1CC[N@@H+](CC2CCC2)C1 ZINC001033698883 1269906233 /nfs/dbraw/zinc/90/62/33/1269906233.db2.gz FBNBRDKYINIBJR-INIZCTEOSA-N 1 1 343.431 2.795 20 10 EFCDMO CN1C(=O)C[C@@]2(CCC[N@@H+](Cc3cccc(C(C)(C)C)c3O)C2)C1=O ZINC001273410581 1270495856 /nfs/dbraw/zinc/49/58/56/1270495856.db2.gz RJXXFDWKVFFLGB-HXUWFJFHSA-N 1 1 344.455 2.661 20 10 EFCDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000743375363 1270568353 /nfs/dbraw/zinc/56/83/53/1270568353.db2.gz GUKHECCEQLDNCW-KRWDZBQOSA-N 1 1 340.423 2.827 20 10 EFCDMO CN(Cc1ccccc1)[C@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000743375363 1270568357 /nfs/dbraw/zinc/56/83/57/1270568357.db2.gz GUKHECCEQLDNCW-KRWDZBQOSA-N 1 1 340.423 2.827 20 10 EFCDMO CN(Cc1ccccc1)[C@H]1CC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000743375363 1270568359 /nfs/dbraw/zinc/56/83/59/1270568359.db2.gz GUKHECCEQLDNCW-KRWDZBQOSA-N 1 1 340.423 2.827 20 10 EFCDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2c(F)ccc(O)c2O)C1 ZINC000825521949 1278581886 /nfs/dbraw/zinc/58/18/86/1278581886.db2.gz HFCXBYOCJRELRE-JSGCOSHPSA-N 1 1 344.386 2.802 20 10 EFCDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2c(F)ccc(O)c2O)C1 ZINC000825521955 1278582415 /nfs/dbraw/zinc/58/24/15/1278582415.db2.gz HFCXBYOCJRELRE-TZMCWYRMSA-N 1 1 344.386 2.802 20 10 EFCDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2c(F)ccc(O)c2O)C1 ZINC000825521952 1278582677 /nfs/dbraw/zinc/58/26/77/1278582677.db2.gz HFCXBYOCJRELRE-OCCSQVGLSA-N 1 1 344.386 2.802 20 10 EFCDMO CC[N@@H+](Cc1cc(Br)ccc1O)C[C@](C)(O)C(F)F ZINC000886027972 1271442184 /nfs/dbraw/zinc/44/21/84/1271442184.db2.gz KSJSDFZTOFPPHY-ZDUSSCGKSA-N 1 1 338.192 2.993 20 10 EFCDMO C[C@H]1C[C@@H](NC(=O)NCc2ccc(N3CCCC3)cc2)CC[N@H+]1C ZINC000745578842 1271521156 /nfs/dbraw/zinc/52/11/56/1271521156.db2.gz XFFSPBHTJNNBTK-RDJZCZTQSA-N 1 1 330.476 2.569 20 10 EFCDMO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000745821877 1271646260 /nfs/dbraw/zinc/64/62/60/1271646260.db2.gz BXZXVVQGQHEJMJ-QGZVFWFLSA-N 1 1 344.503 2.909 20 10 EFCDMO CCC[N@H+](CC(=O)N1CCN(c2ccc(OC)cc2)CC1)CC(C)C ZINC000746145108 1271825731 /nfs/dbraw/zinc/82/57/31/1271825731.db2.gz JIQBAOHMBNZHCD-UHFFFAOYSA-N 1 1 347.503 2.712 20 10 EFCDMO CN(C)c1ccc(CNC(=O)N2CCC[N@H+](C(C)(C)C)CC2)cc1 ZINC000746205794 1271884475 /nfs/dbraw/zinc/88/44/75/1271884475.db2.gz PXDWXPAIWZVRCF-UHFFFAOYSA-N 1 1 332.492 2.768 20 10 EFCDMO NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CCCC[N@@H+](CC3CC3)C2)cc1 ZINC001034546313 1272263454 /nfs/dbraw/zinc/26/34/54/1272263454.db2.gz AFBQUMHGSFWSQC-MRXNPFEDSA-N 1 1 343.431 2.843 20 10 EFCDMO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)[C@@H]1CCCC2(C1)OCCO2 ZINC001169948682 1273271832 /nfs/dbraw/zinc/27/18/32/1273271832.db2.gz JZSULPVYFNEOHH-LJQANCHMSA-N 1 1 346.471 2.641 20 10 EFCDMO Cc1ccc(NCc2ccc(O)c(O)c2)c(C[NH+]2CCOCC2)c1 ZINC001169996517 1274217349 /nfs/dbraw/zinc/21/73/49/1274217349.db2.gz APYGZOXONPXVSW-UHFFFAOYSA-N 1 1 328.412 2.851 20 10 EFCDMO COc1ccc(N2CCC[N@H+](Cc3cc4n(n3)CCC4)CC2)cc1 ZINC000844280124 1278852671 /nfs/dbraw/zinc/85/26/71/1278852671.db2.gz SGKGXZMNKWQTLZ-UHFFFAOYSA-N 1 1 326.444 2.550 20 10 EFCDMO COc1ccc(N2CCC[N@@H+](Cc3cc4n(n3)CCC4)CC2)cc1 ZINC000844280124 1278852679 /nfs/dbraw/zinc/85/26/79/1278852679.db2.gz SGKGXZMNKWQTLZ-UHFFFAOYSA-N 1 1 326.444 2.550 20 10 EFCDMO C[C@H](C[NH2+]Cc1ccc(Br)cc1[O-])C[NH+]1CCCC1 ZINC000691487364 1274711857 /nfs/dbraw/zinc/71/18/57/1274711857.db2.gz FCILTXBKDVURIG-GFCCVEGCSA-N 1 1 327.266 2.976 20 10 EFCDMO COc1ccc(N(C)CC[N@H+](C)Cc2nnc(-c3ccco3)o2)cc1 ZINC000844399426 1278948070 /nfs/dbraw/zinc/94/80/70/1278948070.db2.gz IRKIOLWZKZQHQF-UHFFFAOYSA-N 1 1 342.399 2.906 20 10 EFCDMO COc1ccc(N(C)CC[N@@H+](C)Cc2nnc(-c3ccco3)o2)cc1 ZINC000844399426 1278948077 /nfs/dbraw/zinc/94/80/77/1278948077.db2.gz IRKIOLWZKZQHQF-UHFFFAOYSA-N 1 1 342.399 2.906 20 10 EFCDMO COc1ccc(N(C)CC[N@@H+](C)C[C@@H](O)c2cccc(F)c2)cc1 ZINC000844399620 1278948276 /nfs/dbraw/zinc/94/82/76/1278948276.db2.gz LWDNFOZGXMONSR-LJQANCHMSA-N 1 1 332.419 2.936 20 10 EFCDMO CCC(C)(C)NC(=O)[C@@H](C)[N@@H+](C)CCN(C)c1ccc(OC)cc1 ZINC000844399509 1278949443 /nfs/dbraw/zinc/94/94/43/1278949443.db2.gz KWCRSXWAPDNNEQ-OAHLLOKOSA-N 1 1 335.492 2.757 20 10 EFCDMO COc1ccc(N(C)CC[N@@H+](C)Cc2ccnc(N(C)C)c2)cc1 ZINC000844401737 1278951365 /nfs/dbraw/zinc/95/13/65/1278951365.db2.gz PETVSEAXNYGZHF-UHFFFAOYSA-N 1 1 328.460 2.724 20 10 EFCDMO COc1ccc(N(C)CC[N@H+](C)Cc2nccc(OC)c2OC)cc1 ZINC000844401470 1278953147 /nfs/dbraw/zinc/95/31/47/1278953147.db2.gz MECUEXTXDCWHBQ-UHFFFAOYSA-N 1 1 345.443 2.676 20 10 EFCDMO COc1ccc(N(C)CC[N@@H+](C)Cc2nccc(OC)c2OC)cc1 ZINC000844401470 1278953165 /nfs/dbraw/zinc/95/31/65/1278953165.db2.gz MECUEXTXDCWHBQ-UHFFFAOYSA-N 1 1 345.443 2.676 20 10 EFCDMO C[C@@H]([NH2+]Cc1ccc(S(C)(=O)=O)s1)c1ccc(F)cc1O ZINC000786965865 1275593541 /nfs/dbraw/zinc/59/35/41/1275593541.db2.gz OXEWAGLXYPPWIL-SECBINFHSA-N 1 1 329.418 2.847 20 10 EFCDMO COc1cccc(O)c1C[N@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000787292182 1275736796 /nfs/dbraw/zinc/73/67/96/1275736796.db2.gz YAMBAIWVQKNVQS-ZDUSSCGKSA-N 1 1 332.375 2.978 20 10 EFCDMO CC[N@@H+](Cc1cc(C(=O)OC)n(C)c1)Cc1ccc(N(C)C)cc1 ZINC000787769798 1275903504 /nfs/dbraw/zinc/90/35/04/1275903504.db2.gz JDAWJOCGNTVLFX-UHFFFAOYSA-N 1 1 329.444 2.900 20 10 EFCDMO C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000788561143 1276218587 /nfs/dbraw/zinc/21/85/87/1276218587.db2.gz FPHMXOUJIQHSHJ-LBPRGKRZSA-N 1 1 346.393 2.908 20 10 EFCDMO COCCN1CC[C@@H]([NH2+][C@H](C)c2cccc(C(F)(F)F)c2O)C1 ZINC000788596307 1276235702 /nfs/dbraw/zinc/23/57/02/1276235702.db2.gz YRTSZRUWRDAHPM-VXGBXAGGSA-N 1 1 332.366 2.782 20 10 EFCDMO C[C@H]([NH2+][C@@H](CO)c1cnn(C)c1)c1cccc(C(F)(F)F)c1O ZINC000788685747 1276259123 /nfs/dbraw/zinc/25/91/23/1276259123.db2.gz KVZOSOMWEBLDGQ-ZANVPECISA-N 1 1 329.322 2.529 20 10 EFCDMO C[C@H](NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000817903924 1276369410 /nfs/dbraw/zinc/36/94/10/1276369410.db2.gz XBZQHLAIADPFGZ-GUYCJALGSA-N 1 1 339.430 2.987 20 10 EFCDMO C[C@@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc2c(c1)OCCO2 ZINC000817938261 1276386256 /nfs/dbraw/zinc/38/62/56/1276386256.db2.gz HOBYRRNONOXFCQ-KDOFPFPSSA-N 1 1 341.455 2.874 20 10 EFCDMO C[C@@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc2c(c1)OCO2 ZINC000817939140 1276386321 /nfs/dbraw/zinc/38/63/21/1276386321.db2.gz ZNJDKUFQNFOZCL-CXAGYDPISA-N 1 1 327.428 2.832 20 10 EFCDMO CN(C)c1ccc([C@@H]([NH3+])CN[C@H](c2nnc[nH]2)C2CCCCC2)cc1 ZINC000817941503 1276387306 /nfs/dbraw/zinc/38/73/06/1276387306.db2.gz KDDMPIDHTLKEAO-ROUUACIJSA-N 1 1 342.491 2.782 20 10 EFCDMO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819582453 1276825929 /nfs/dbraw/zinc/82/59/29/1276825929.db2.gz MBWONVLVSRHRSS-APWZRJJASA-N 1 1 345.487 2.512 20 10 EFCDMO COc1cc(Br)cc(C[N@H+]2CCC[C@]2(C)CO)c1O ZINC000789557830 1276843309 /nfs/dbraw/zinc/84/33/09/1276843309.db2.gz OPRKCVUHPCYQHL-CQSZACIVSA-N 1 1 330.222 2.510 20 10 EFCDMO COc1cccc(O)c1C[N@H+](C)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000789595365 1276874149 /nfs/dbraw/zinc/87/41/49/1276874149.db2.gz BARCQRXWCWNKCS-KRWDZBQOSA-N 1 1 340.423 2.634 20 10 EFCDMO COc1cccc(O)c1C[N@@H+](C)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000789595365 1276874166 /nfs/dbraw/zinc/87/41/66/1276874166.db2.gz BARCQRXWCWNKCS-KRWDZBQOSA-N 1 1 340.423 2.634 20 10 EFCDMO Cc1cc(C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)c(C)n1-c1ccccn1 ZINC000819717809 1276893077 /nfs/dbraw/zinc/89/30/77/1276893077.db2.gz MTEFCYSATOMACY-FUHWJXTLSA-N 1 1 338.455 2.655 20 10 EFCDMO Oc1cc2c(cc1C[N@H+]1CC3(CCC3)[C@H]1C1CCOCC1)[C@@H](O)CO2 ZINC000819902065 1276940975 /nfs/dbraw/zinc/94/09/75/1276940975.db2.gz MQLRRISYBNGKQA-PKOBYXMFSA-N 1 1 345.439 2.599 20 10 EFCDMO COC1CCN(c2ccc(C[N@H+]3C[C@H](C)N(C)C[C@H]3C)cc2)CC1 ZINC000828597543 1287253241 /nfs/dbraw/zinc/25/32/41/1287253241.db2.gz HRZJJRJARUNEDJ-DLBZAZTESA-N 1 1 331.504 2.826 20 10 EFCDMO COC1CCN(c2ccc(CN3C[C@H](C)[N@H+](C)C[C@H]3C)cc2)CC1 ZINC000828597543 1287253251 /nfs/dbraw/zinc/25/32/51/1287253251.db2.gz HRZJJRJARUNEDJ-DLBZAZTESA-N 1 1 331.504 2.826 20 10 EFCDMO COC1CCN(c2ccc(CN3C[C@H](C)[N@@H+](C)C[C@H]3C)cc2)CC1 ZINC000828597543 1287253256 /nfs/dbraw/zinc/25/32/56/1287253256.db2.gz HRZJJRJARUNEDJ-DLBZAZTESA-N 1 1 331.504 2.826 20 10 EFCDMO COc1cc(Cl)cc(C[N@@H+](C)CCN2CCOC(C)(C)C2)c1O ZINC000789764037 1276971612 /nfs/dbraw/zinc/97/16/12/1276971612.db2.gz CKKWKVMZIGQLCY-UHFFFAOYSA-N 1 1 342.867 2.597 20 10 EFCDMO O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1c(F)ccc(O)c1O ZINC000789956845 1277121263 /nfs/dbraw/zinc/12/12/63/1277121263.db2.gz IJZXEOCDCYQLEZ-AWEZNQCLSA-N 1 1 344.386 2.631 20 10 EFCDMO Cc1cc(C[N@@H+](C)[C@H]2CCN(CC(F)(F)F)C2=O)ccc1N(C)C ZINC000815048849 1287268193 /nfs/dbraw/zinc/26/81/93/1287268193.db2.gz RSTSUAQQOYCKJJ-HNNXBMFYSA-N 1 1 343.393 2.656 20 10 EFCDMO Cc1cc(=O)[nH]c([C@@H](C)[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000790325002 1277426752 /nfs/dbraw/zinc/42/67/52/1277426752.db2.gz GHEWNPMGEUKOGX-LSDHHAIUSA-N 1 1 342.443 2.739 20 10 EFCDMO Cc1nn(C)c(C[NH2+]Cc2ccc3c(c2)CCO3)c1Br ZINC000790469408 1277578927 /nfs/dbraw/zinc/57/89/27/1277578927.db2.gz VMWXJJVEFXTLEU-UHFFFAOYSA-N 1 1 336.233 2.716 20 10 EFCDMO Cc1cc(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)ccc1N(C)C ZINC000815080485 1287303152 /nfs/dbraw/zinc/30/31/52/1287303152.db2.gz CFUJLQSMOAVJKA-UYAOXDASSA-N 1 1 342.487 2.883 20 10 EFCDMO Cc1cc(C[N@H+]2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)ccc1N(C)C ZINC000815080484 1287303737 /nfs/dbraw/zinc/30/37/37/1287303737.db2.gz CFUJLQSMOAVJKA-QUCCMNQESA-N 1 1 342.487 2.883 20 10 EFCDMO C[C@H](O)C[C@@H]1CCCC[N@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000790934280 1277853372 /nfs/dbraw/zinc/85/33/72/1277853372.db2.gz JRDRAWFREORANH-RDJZCZTQSA-N 1 1 336.451 2.788 20 10 EFCDMO Oc1ccc(Cl)c(F)c1C[NH2+][C@H]1CCCC[C@@H]1N1CCOCC1 ZINC000790977729 1277908466 /nfs/dbraw/zinc/90/84/66/1277908466.db2.gz RIHXVSVABFVVKE-GJZGRUSLSA-N 1 1 342.842 2.918 20 10 EFCDMO CC(C)[N@H+]1CC[C@H](CNC(=O)NCc2cc(Cl)ccc2O)C1 ZINC000844521995 1279052929 /nfs/dbraw/zinc/05/29/29/1279052929.db2.gz JZLYZPLACHPYIP-GFCCVEGCSA-N 1 1 325.840 2.575 20 10 EFCDMO CCOC(=O)[C@]1(COC)CCC[N@@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC000815108541 1287329847 /nfs/dbraw/zinc/32/98/47/1287329847.db2.gz ZOJTZNCXAYIHNN-HXUWFJFHSA-N 1 1 348.487 2.853 20 10 EFCDMO C[C@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)[C@H]1CC[NH3+] ZINC000844900649 1279323040 /nfs/dbraw/zinc/32/30/40/1279323040.db2.gz CAOWEBXQLYLTQZ-YJBOKZPZSA-N 1 1 335.467 2.612 20 10 EFCDMO C[C@H]1CCCN(Cc2ccc(N3CCOCC3)c(F)c2)[C@H]1CC[NH3+] ZINC000844900649 1279323045 /nfs/dbraw/zinc/32/30/45/1279323045.db2.gz CAOWEBXQLYLTQZ-YJBOKZPZSA-N 1 1 335.467 2.612 20 10 EFCDMO Oc1cc(F)c(Br)cc1C[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC001144293742 1279378214 /nfs/dbraw/zinc/37/82/14/1279378214.db2.gz SHNQXIYLXFLYCR-KOLCDFICSA-N 1 1 330.197 2.762 20 10 EFCDMO Oc1cc(F)c(Br)cc1C[N@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC001144293742 1279378223 /nfs/dbraw/zinc/37/82/23/1279378223.db2.gz SHNQXIYLXFLYCR-KOLCDFICSA-N 1 1 330.197 2.762 20 10 EFCDMO C[C@@H]1CC[N@H+](Cc2cc(Br)c(F)cc2O)CC[C@H]1O ZINC001144299274 1279386141 /nfs/dbraw/zinc/38/61/41/1279386141.db2.gz ULZFJMGESFAELT-NOZJJQNGSA-N 1 1 332.213 2.887 20 10 EFCDMO C[C@@H]1CC[N@@H+](Cc2cc(Br)c(F)cc2O)CC[C@H]1O ZINC001144299274 1279386148 /nfs/dbraw/zinc/38/61/48/1279386148.db2.gz ULZFJMGESFAELT-NOZJJQNGSA-N 1 1 332.213 2.887 20 10 EFCDMO C[C@@H]1C[N@H+](Cc2cc(Br)c(F)cc2O)CCC[C@H]1O ZINC001144298843 1279387520 /nfs/dbraw/zinc/38/75/20/1279387520.db2.gz LANOXCYYKROFLS-NOZJJQNGSA-N 1 1 332.213 2.887 20 10 EFCDMO C[C@@H]1C[N@@H+](Cc2cc(Br)c(F)cc2O)CCC[C@H]1O ZINC001144298843 1279387530 /nfs/dbraw/zinc/38/75/30/1279387530.db2.gz LANOXCYYKROFLS-NOZJJQNGSA-N 1 1 332.213 2.887 20 10 EFCDMO C[C@H]1C[N@H+](Cc2cc(Br)c(F)cc2O)CCC[C@H]1O ZINC001144298845 1279387810 /nfs/dbraw/zinc/38/78/10/1279387810.db2.gz LANOXCYYKROFLS-TVQRCGJNSA-N 1 1 332.213 2.887 20 10 EFCDMO C[C@H]1C[N@@H+](Cc2cc(Br)c(F)cc2O)CCC[C@H]1O ZINC001144298845 1279387819 /nfs/dbraw/zinc/38/78/19/1279387819.db2.gz LANOXCYYKROFLS-TVQRCGJNSA-N 1 1 332.213 2.887 20 10 EFCDMO Oc1cc(F)c(Br)cc1CN1CC[C@H]([NH+]2CCCC2)C1 ZINC001144299835 1279389028 /nfs/dbraw/zinc/38/90/28/1279389028.db2.gz JYHJHPQRAWZVKS-LBPRGKRZSA-N 1 1 343.240 2.964 20 10 EFCDMO CO[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C[C@@H]1OC ZINC000793183663 1279428444 /nfs/dbraw/zinc/42/84/44/1279428444.db2.gz BNWKTKFOOJMDGN-GASCZTMLSA-N 1 1 332.366 2.617 20 10 EFCDMO CO[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C[C@@H]1OC ZINC000793183663 1279428452 /nfs/dbraw/zinc/42/84/52/1279428452.db2.gz BNWKTKFOOJMDGN-GASCZTMLSA-N 1 1 332.366 2.617 20 10 EFCDMO C[N@@H+](Cc1c(O)cc(O)cc1O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001144499157 1279740005 /nfs/dbraw/zinc/74/00/05/1279740005.db2.gz CPJXHUWIFMHHPF-OAHLLOKOSA-N 1 1 328.412 2.510 20 10 EFCDMO Oc1cc(O)c(C[NH+](Cc2ccccn2)Cc2ccccn2)c(O)c1 ZINC001144499558 1279740532 /nfs/dbraw/zinc/74/05/32/1279740532.db2.gz IKUNSCVAWMSODU-UHFFFAOYSA-N 1 1 337.379 2.796 20 10 EFCDMO CCN(CC)c1ccc(CN2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)cc1F ZINC000793591854 1279762005 /nfs/dbraw/zinc/76/20/05/1279762005.db2.gz RVFKNPKDCICQFC-JKSUJKDBSA-N 1 1 337.483 2.559 20 10 EFCDMO COC(=O)[C@H]1CC[N@@H+](Cc2c(O)cc(O)cc2O)[C@H]1c1ccccc1 ZINC001144520497 1279763149 /nfs/dbraw/zinc/76/31/49/1279763149.db2.gz SCSSZQVTNWVGEY-KSSFIOAISA-N 1 1 343.379 2.540 20 10 EFCDMO CCOC(=O)c1cc2c(s1)CC[N@@H+](Cc1c(O)cc(O)cc1O)C2 ZINC001144508997 1279769133 /nfs/dbraw/zinc/76/91/33/1279769133.db2.gz GWCKFUPGMYOBCF-UHFFFAOYSA-N 1 1 349.408 2.600 20 10 EFCDMO Oc1cc(O)c(C[N@H+]2C[C@H]3CCN(Cc4ccccc4)[C@H]3C2)c(O)c1 ZINC001144509195 1279769404 /nfs/dbraw/zinc/76/94/04/1279769404.db2.gz ONJZSFFQLAJXRY-QAPCUYQASA-N 1 1 340.423 2.510 20 10 EFCDMO CN1CCN(c2ccc(C[N@@H+]3CCC[C@H]3[C@@H]3CCCO3)cc2)CC1 ZINC000793609686 1279772260 /nfs/dbraw/zinc/77/22/60/1279772260.db2.gz REFUQLMYSPVKKI-PMACEKPBSA-N 1 1 329.488 2.582 20 10 EFCDMO CN1CCN(c2ccc(C[N@H+]3CCC[C@H]3[C@@H]3CCCO3)cc2)CC1 ZINC000793609686 1279772267 /nfs/dbraw/zinc/77/22/67/1279772267.db2.gz REFUQLMYSPVKKI-PMACEKPBSA-N 1 1 329.488 2.582 20 10 EFCDMO Oc1cc(O)c(C[N@H+]2CCC[C@H](OCc3ccccc3)C2)c(O)c1 ZINC001144514575 1279773791 /nfs/dbraw/zinc/77/37/91/1279773791.db2.gz LAYGMTUKRRVPPC-INIZCTEOSA-N 1 1 329.396 2.985 20 10 EFCDMO Oc1cc(O)c(C[N@@H+](Cc2ccccc2)C2CCOCC2)c(O)c1 ZINC001144514765 1279774527 /nfs/dbraw/zinc/77/45/27/1279774527.db2.gz RGYFIDLKGWMYBP-UHFFFAOYSA-N 1 1 329.396 2.985 20 10 EFCDMO COC[C@@H](C)[N@@H+](Cc1cccc(OC)c1)Cc1c(O)cc(O)cc1O ZINC001144514733 1279774992 /nfs/dbraw/zinc/77/49/92/1279774992.db2.gz QCKPBQBAMBIRDY-CYBMUJFWSA-N 1 1 347.411 2.849 20 10 EFCDMO C[C@@]1(c2ccc(F)cc2)C[N@@H+](Cc2c(O)cc(O)cc2O)CCO1 ZINC001144514764 1279775061 /nfs/dbraw/zinc/77/50/61/1279775061.db2.gz RGRGCGLJTGLZRG-SFHVURJKSA-N 1 1 333.359 2.690 20 10 EFCDMO COC(=O)c1cccc([C@H]2CCC[N@H+]2Cc2c(O)cc(O)cc2O)c1 ZINC001144516224 1279779671 /nfs/dbraw/zinc/77/96/71/1279779671.db2.gz UJEXNEKXBLOFAL-MRXNPFEDSA-N 1 1 343.379 2.927 20 10 EFCDMO COc1cccc(C[N@H+]2CCN(C)[C@@H](Cc3ccccc3)C2)c1O ZINC000793621572 1279780547 /nfs/dbraw/zinc/78/05/47/1279780547.db2.gz YRONWZFHPIYJAP-SFHVURJKSA-N 1 1 326.440 2.760 20 10 EFCDMO COc1cccc(CN2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)c1O ZINC000793621572 1279780552 /nfs/dbraw/zinc/78/05/52/1279780552.db2.gz YRONWZFHPIYJAP-SFHVURJKSA-N 1 1 326.440 2.760 20 10 EFCDMO COc1cccc(CN2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)c1O ZINC000793621572 1279780558 /nfs/dbraw/zinc/78/05/58/1279780558.db2.gz YRONWZFHPIYJAP-SFHVURJKSA-N 1 1 326.440 2.760 20 10 EFCDMO COC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC000846052997 1280003220 /nfs/dbraw/zinc/00/32/20/1280003220.db2.gz LNDQTVKRMYLRPD-QZTJIDSGSA-N 1 1 343.423 2.553 20 10 EFCDMO COc1cccc([C@H](C)[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)c1O ZINC000846148418 1280037036 /nfs/dbraw/zinc/03/70/36/1280037036.db2.gz ZEEVXESFBITPAG-GJZGRUSLSA-N 1 1 334.460 2.552 20 10 EFCDMO C[C@@H]([NH2+]CC[C@@]1(O)CCCOC1)c1cccc(C(F)(F)F)c1O ZINC000846215177 1280071842 /nfs/dbraw/zinc/07/18/42/1280071842.db2.gz YYSPIQLCPQFVDQ-ABAIWWIYSA-N 1 1 333.350 2.993 20 10 EFCDMO O=C(NCCC1CC[NH2+]CC1)NCc1cc(Cl)cc(Cl)c1O ZINC000846212624 1280084463 /nfs/dbraw/zinc/08/44/63/1280084463.db2.gz DFKTYQWEFSITAA-UHFFFAOYSA-N 1 1 346.258 2.888 20 10 EFCDMO CCc1nc(N2CCN(c3ccc(OC)c(F)c3)CC2)cc(C)[nH+]1 ZINC000804540306 1280278259 /nfs/dbraw/zinc/27/82/59/1280278259.db2.gz VKCOHTBJSONMDE-UHFFFAOYSA-N 1 1 330.407 2.822 20 10 EFCDMO C[N@@H+](Cc1ccc(OCC(F)(F)F)nn1)Cc1ccccc1O ZINC000846823933 1280519198 /nfs/dbraw/zinc/51/91/98/1280519198.db2.gz CWGYQTCTAGHUND-UHFFFAOYSA-N 1 1 327.306 2.755 20 10 EFCDMO COc1ccc(N(C)CC[N@@H+](C)CC2(Br)CC2)cc1 ZINC000847007499 1280696536 /nfs/dbraw/zinc/69/65/36/1280696536.db2.gz FYXXHDNHWJVYIJ-UHFFFAOYSA-N 1 1 327.266 2.991 20 10 EFCDMO CCC[N@H+]1CCC[C@H]1CNC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000807549328 1281347547 /nfs/dbraw/zinc/34/75/47/1281347547.db2.gz VPBAJVMFTOXMJV-INIZCTEOSA-N 1 1 345.487 2.945 20 10 EFCDMO CC[C@]1(C)CC(=O)N(C[N@@H+]2CCCN(c3ccc(OC)cc3)CC2)C1 ZINC000808142277 1281556807 /nfs/dbraw/zinc/55/68/07/1281556807.db2.gz MTCSMFNXBUUZRD-HXUWFJFHSA-N 1 1 345.487 2.813 20 10 EFCDMO CC[C@]1(C)CC(=O)N(C[N@H+]2CCCN(c3ccc(OC)cc3)CC2)C1 ZINC000808142277 1281556814 /nfs/dbraw/zinc/55/68/14/1281556814.db2.gz MTCSMFNXBUUZRD-HXUWFJFHSA-N 1 1 345.487 2.813 20 10 EFCDMO CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CC[C@@H](C(=O)N3CCCC3)C2)c1 ZINC000808208861 1281602726 /nfs/dbraw/zinc/60/27/26/1281602726.db2.gz ZGCBMMTUNUULTK-CQSZACIVSA-N 1 1 346.471 2.840 20 10 EFCDMO CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CC[C@H](C(=O)N3CCCC3)C2)c1 ZINC000808208860 1281603719 /nfs/dbraw/zinc/60/37/19/1281603719.db2.gz ZGCBMMTUNUULTK-AWEZNQCLSA-N 1 1 346.471 2.840 20 10 EFCDMO COC(=O)C[C@@H]1COCC[N@@H+]1Cc1cc(C)cc(C(C)(C)C)c1O ZINC000808212669 1281604441 /nfs/dbraw/zinc/60/44/41/1281604441.db2.gz UZRWAPSJXWKRER-OAHLLOKOSA-N 1 1 335.444 2.762 20 10 EFCDMO COC(=O)C[C@@H]1COCC[N@H+]1Cc1cc(C)cc(C(C)(C)C)c1O ZINC000808212669 1281604456 /nfs/dbraw/zinc/60/44/56/1281604456.db2.gz UZRWAPSJXWKRER-OAHLLOKOSA-N 1 1 335.444 2.762 20 10 EFCDMO CC1(C)C[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)Cc2ccccc2O1 ZINC000808236636 1281619925 /nfs/dbraw/zinc/61/99/25/1281619925.db2.gz ILCBBVFTWCEBNY-KRWDZBQOSA-N 1 1 341.407 2.991 20 10 EFCDMO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H](C)N2CCN(C)CC2)c1O ZINC000808690924 1281847281 /nfs/dbraw/zinc/84/72/81/1281847281.db2.gz GZHMBLUDVLXDHT-ZIAGYGMSSA-N 1 1 325.884 2.641 20 10 EFCDMO CCC(CC)[N@@H+](CC)CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000808782136 1281897385 /nfs/dbraw/zinc/89/73/85/1281897385.db2.gz GXSFPLLFNZADLU-UHFFFAOYSA-N 1 1 347.503 2.854 20 10 EFCDMO C[C@@]1(C(N)=O)CC[N@@H+](Cc2ccc3c(c2)CCN3Cc2ccccc2)C1 ZINC000809658832 1282340173 /nfs/dbraw/zinc/34/01/73/1282340173.db2.gz XHDOVSACVATCNO-JOCHJYFZSA-N 1 1 349.478 2.947 20 10 EFCDMO C[C@@H](O)C[C@@H]1CCCCC[N@@H+]1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000809700357 1282385797 /nfs/dbraw/zinc/38/57/97/1282385797.db2.gz FBCIMHLYMZATRW-NQIIRXRSSA-N 1 1 345.531 2.954 20 10 EFCDMO C[C@@H](O)C[C@@H]1CCCCC[N@H+]1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000809700357 1282385809 /nfs/dbraw/zinc/38/58/09/1282385809.db2.gz FBCIMHLYMZATRW-NQIIRXRSSA-N 1 1 345.531 2.954 20 10 EFCDMO CC[N@@H+](Cc1ccc2c(c1)CCN2Cc1ccccc1)[C@H]1CCNC1=O ZINC000809660453 1282390326 /nfs/dbraw/zinc/39/03/26/1282390326.db2.gz IKOQFBVXANTYBK-NRFANRHFSA-N 1 1 349.478 2.960 20 10 EFCDMO C[N@@H+](CCOCCO)Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000809662346 1282391835 /nfs/dbraw/zinc/39/18/35/1282391835.db2.gz GMKAQOXNEOEOHS-UHFFFAOYSA-N 1 1 340.467 2.690 20 10 EFCDMO CN(C)CC[N@@H+](CCc1ccccc1)Cc1cc2c(cc1O)OCO2 ZINC000809731547 1282409690 /nfs/dbraw/zinc/40/96/90/1282409690.db2.gz ZWDFXZYFDAVAHC-UHFFFAOYSA-N 1 1 342.439 2.727 20 10 EFCDMO C[NH+](C)CCN(CCc1ccccc1)Cc1cc2c(cc1O)OCO2 ZINC000809731547 1282409696 /nfs/dbraw/zinc/40/96/96/1282409696.db2.gz ZWDFXZYFDAVAHC-UHFFFAOYSA-N 1 1 342.439 2.727 20 10 EFCDMO COc1c(O)c(C[NH2+][C@@H](C)[C@H](O)c2ccc(C)cc2)ccc1[N+](=O)[O-] ZINC000809701872 1282414899 /nfs/dbraw/zinc/41/48/99/1282414899.db2.gz NFGCTWPZDPHYOE-LRDDRELGSA-N 1 1 346.383 2.829 20 10 EFCDMO CN(Cc1ccc(N2CCOCC2)c(F)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000809704625 1282416257 /nfs/dbraw/zinc/41/62/57/1282416257.db2.gz DGUBMJZNAMTQIA-JWTNVVGKSA-N 1 1 347.478 2.719 20 10 EFCDMO CCN(C)C(=O)OC[C@H]1CCCC[N@H+]1Cc1cc(OC)ccc1O ZINC000809723327 1282426916 /nfs/dbraw/zinc/42/69/16/1282426916.db2.gz GVRLJGJOFVRGHY-OAHLLOKOSA-N 1 1 336.432 2.844 20 10 EFCDMO COC(=O)C[C@H]1COCC[N@@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000809773186 1282432196 /nfs/dbraw/zinc/43/21/96/1282432196.db2.gz MZBQGPHGDIGXBP-SFHVURJKSA-N 1 1 341.407 2.823 20 10 EFCDMO COC(=O)C[C@H]1COCC[N@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000809773186 1282432201 /nfs/dbraw/zinc/43/22/01/1282432201.db2.gz MZBQGPHGDIGXBP-SFHVURJKSA-N 1 1 341.407 2.823 20 10 EFCDMO C[NH+](C)CCN(Cc1cc(Cl)cc(F)c1O)C[C@@H]1CCCO1 ZINC000809737012 1282437759 /nfs/dbraw/zinc/43/77/59/1282437759.db2.gz AQVNYUJAEXKDOL-AWEZNQCLSA-N 1 1 330.831 2.727 20 10 EFCDMO CN1CCN(c2ccc(C[NH2+]CC[C@@H](O)c3ccccc3)cc2)CC1 ZINC000809748185 1282446738 /nfs/dbraw/zinc/44/67/38/1282446738.db2.gz KUFVIKKWJCZECU-OAQYLSRUSA-N 1 1 339.483 2.652 20 10 EFCDMO CN(C)c1ccc(C[NH+]2CCN(c3ccc(F)cn3)CC2)cc1F ZINC000809749945 1282450727 /nfs/dbraw/zinc/45/07/27/1282450727.db2.gz UAAQQCCOPYURDJ-UHFFFAOYSA-N 1 1 332.398 2.748 20 10 EFCDMO Cc1cc(Br)c(O)c(C[N@H+](C)C[C@@H](O)C(F)(F)F)c1 ZINC000809751880 1282455751 /nfs/dbraw/zinc/45/57/51/1282455751.db2.gz WPEBNHNBRKKEDO-SNVBAGLBSA-N 1 1 342.155 2.818 20 10 EFCDMO Cc1cc(Br)c(O)c(C[N@@H+](C)C[C@@H](O)C(F)(F)F)c1 ZINC000809751880 1282455756 /nfs/dbraw/zinc/45/57/56/1282455756.db2.gz WPEBNHNBRKKEDO-SNVBAGLBSA-N 1 1 342.155 2.818 20 10 EFCDMO CN1CCN(c2ccc(C[N@H+](C)Cc3ccc(O)cc3)cc2)CC1 ZINC000809754002 1282457335 /nfs/dbraw/zinc/45/73/35/1282457335.db2.gz ZHAIOJZZRYYGOG-UHFFFAOYSA-N 1 1 325.456 2.776 20 10 EFCDMO CN1CCN(c2ccc(C[N@@H+](C)Cc3ccc(O)cc3)cc2)CC1 ZINC000809754002 1282457337 /nfs/dbraw/zinc/45/73/37/1282457337.db2.gz ZHAIOJZZRYYGOG-UHFFFAOYSA-N 1 1 325.456 2.776 20 10 EFCDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@H](CCNC(C)=O)C2)c1O ZINC000809777920 1282479006 /nfs/dbraw/zinc/47/90/06/1282479006.db2.gz IRCUHRUCXXWXCL-CYBMUJFWSA-N 1 1 340.851 2.792 20 10 EFCDMO COc1cccc(O)c1C[N@H+]1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000809791027 1282490606 /nfs/dbraw/zinc/49/06/06/1282490606.db2.gz RZSCRIXBCFHHHI-FQEVSTJZSA-N 1 1 345.414 2.967 20 10 EFCDMO CCC[C@]1(CO)CC[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000809790787 1282490844 /nfs/dbraw/zinc/49/08/44/1282490844.db2.gz OKRHYMCSKJGAAO-IBGZPJMESA-N 1 1 336.451 2.647 20 10 EFCDMO CN(C)c1ccc(C[N@H+]2CCCC[C@@H]2COC(=O)NC2CC2)cc1 ZINC000810038772 1282801610 /nfs/dbraw/zinc/80/16/10/1282801610.db2.gz ZNEXUGRFAWCBGK-GOSISDBHSA-N 1 1 331.460 2.996 20 10 EFCDMO CCCC[C@@H](C)[N@@H+](C)CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000810124447 1282906809 /nfs/dbraw/zinc/90/68/09/1282906809.db2.gz GFWRUILKQSIOEP-QGZVFWFLSA-N 1 1 347.503 2.854 20 10 EFCDMO COc1cc(Br)cc(CN[C@H](C)C[N@H+](C)C(C)C)c1O ZINC000810173075 1282964961 /nfs/dbraw/zinc/96/49/61/1282964961.db2.gz WHCIRAUGCBUSRF-LLVKDONJSA-N 1 1 345.281 2.982 20 10 EFCDMO COc1cc(Br)cc(CN[C@H](C)C[N@@H+](C)C(C)C)c1O ZINC000810173075 1282964967 /nfs/dbraw/zinc/96/49/67/1282964967.db2.gz WHCIRAUGCBUSRF-LLVKDONJSA-N 1 1 345.281 2.982 20 10 EFCDMO CCC[N@@H+](CC)C[C@@H](C)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000810180356 1283008565 /nfs/dbraw/zinc/00/85/65/1283008565.db2.gz VTXFBCQJFRDWBU-MRXNPFEDSA-N 1 1 337.483 2.872 20 10 EFCDMO CCCN(CC)C[C@@H](C)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000810180356 1283008576 /nfs/dbraw/zinc/00/85/76/1283008576.db2.gz VTXFBCQJFRDWBU-MRXNPFEDSA-N 1 1 337.483 2.872 20 10 EFCDMO Cc1cc([C@H](C)[NH2+]Cc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)no1 ZINC000810211543 1283035900 /nfs/dbraw/zinc/03/59/00/1283035900.db2.gz SQOOBQZEXBMNNW-GOEBONIOSA-N 1 1 342.443 2.536 20 10 EFCDMO CC[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810219986 1283048444 /nfs/dbraw/zinc/04/84/44/1283048444.db2.gz NXMAGYRTSOJWDI-AWEZNQCLSA-N 1 1 346.393 2.908 20 10 EFCDMO C[C@H]([NH2+]C[C@H](O)C1CCOCC1)c1cccc(C(F)(F)F)c1O ZINC000815594500 1287620086 /nfs/dbraw/zinc/62/00/86/1287620086.db2.gz QHKODEBXNWAQTR-HZMBPMFUSA-N 1 1 333.350 2.849 20 10 EFCDMO Oc1c(F)cc(Br)cc1C[NH2+][C@@H]1CCCC12OCCO2 ZINC000715723219 1284318063 /nfs/dbraw/zinc/31/80/63/1284318063.db2.gz WZZWMSFLRLQQJP-GFCCVEGCSA-N 1 1 346.196 2.679 20 10 EFCDMO C[NH+](C)C[C@H]1CCN(Cc2cc(Br)cc(F)c2O)C1 ZINC000715818208 1284369094 /nfs/dbraw/zinc/36/90/94/1284369094.db2.gz NGWMGVRWMGLFMB-SNVBAGLBSA-N 1 1 331.229 2.677 20 10 EFCDMO CN1CCN(c2ccc(C[N@@H+]3CC(C)(C)[C@@H]3[C@H]3CCCO3)cc2)CC1 ZINC000811510672 1284390341 /nfs/dbraw/zinc/39/03/41/1284390341.db2.gz MSICSDFXBBWEJZ-UXHICEINSA-N 1 1 343.515 2.828 20 10 EFCDMO CN1CCN(c2ccc(C[N@H+]3CC(C)(C)[C@@H]3[C@H]3CCCO3)cc2)CC1 ZINC000811510672 1284390347 /nfs/dbraw/zinc/39/03/47/1284390347.db2.gz MSICSDFXBBWEJZ-UXHICEINSA-N 1 1 343.515 2.828 20 10 EFCDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000811929081 1284756125 /nfs/dbraw/zinc/75/61/25/1284756125.db2.gz AUOHJBCXZVDMPC-KGLIPLIRSA-N 1 1 337.464 2.881 20 10 EFCDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)NCc1ccc(N(C)C)cc1C ZINC000811931547 1284757481 /nfs/dbraw/zinc/75/74/81/1284757481.db2.gz MLUYPBBIYIIALE-INIZCTEOSA-N 1 1 334.508 2.981 20 10 EFCDMO C[C@@H](NC(=O)c1cc(C[NH+]2CCCC2)on1)c1ccc(N(C)C)cc1 ZINC000812551658 1285241084 /nfs/dbraw/zinc/24/10/84/1285241084.db2.gz ZPFAZYVEDMAMCW-CQSZACIVSA-N 1 1 342.443 2.827 20 10 EFCDMO CCOc1ccc(CNc2cccc(C[N@H+]3CC[C@@H](O)C3)c2)c(O)c1 ZINC000812778375 1285410167 /nfs/dbraw/zinc/41/01/67/1285410167.db2.gz JYIDVSYVSJDGBC-GOSISDBHSA-N 1 1 342.439 2.970 20 10 EFCDMO CC[N@@H+](CC(=O)N1CCN(c2ccc(OC)cc2)CC1)CC(C)(C)C ZINC000812891979 1285511646 /nfs/dbraw/zinc/51/16/46/1285511646.db2.gz BOFVBNPIRJLYKN-UHFFFAOYSA-N 1 1 347.503 2.712 20 10 EFCDMO CCc1nc(C)c(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)o1 ZINC000813794521 1286120496 /nfs/dbraw/zinc/12/04/96/1286120496.db2.gz AXSQBRAPZIHZSV-UHFFFAOYSA-N 1 1 333.407 2.811 20 10 EFCDMO Cc1cnc(C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)o1 ZINC000813811240 1286136741 /nfs/dbraw/zinc/13/67/41/1286136741.db2.gz VGTWXFLQQUMFDZ-AWEZNQCLSA-N 1 1 349.818 2.736 20 10 EFCDMO Cc1cnc(C(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)o1 ZINC000813811240 1286136747 /nfs/dbraw/zinc/13/67/47/1286136747.db2.gz VGTWXFLQQUMFDZ-AWEZNQCLSA-N 1 1 349.818 2.736 20 10 EFCDMO CC(C)OC(=O)CC[C@@H](C)[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC001172755565 1286261128 /nfs/dbraw/zinc/26/11/28/1286261128.db2.gz IRQHSAKGWPLYNV-QGZVFWFLSA-N 1 1 347.503 2.648 20 10 EFCDMO CC(C)[C@H]([NH2+]Cc1ccc(N2CCN(C)CC2)cc1)C1(CO)CCC1 ZINC000814169504 1286373027 /nfs/dbraw/zinc/37/30/27/1286373027.db2.gz IZPQLKXOKXUIHH-FQEVSTJZSA-N 1 1 345.531 2.715 20 10 EFCDMO [NH3+][C@H]1CCN(Cc2cc(Br)c(F)cc2O)CC[C@@H]1F ZINC001206188302 1286390222 /nfs/dbraw/zinc/39/02/22/1286390222.db2.gz VECNRPWJSPPJCF-JQWIXIFHSA-N 1 1 335.192 2.555 20 10 EFCDMO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)[C@H]1CCc2ncsc2C1 ZINC001173136160 1286424274 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C[N@H+](Cc1ccc(Br)cc1O)C[C@H](O)C(F)(F)F ZINC000825928360 1291102648 /nfs/dbraw/zinc/10/26/48/1291102648.db2.gz SFUZZIFFVDQMMZ-JTQLQIEISA-N 1 1 328.128 2.510 20 10 EFCDMO C[N@H+](Cc1ccc(Br)cc1O)C[C@@H](O)C(F)(F)F ZINC000825928361 1291102704 /nfs/dbraw/zinc/10/27/04/1291102704.db2.gz SFUZZIFFVDQMMZ-SNVBAGLBSA-N 1 1 328.128 2.510 20 10 EFCDMO Oc1cc(CN2C[C@H]3CC[N@@H+](Cc4ccccc4)[C@H]3C2)cc(O)c1O ZINC001233013150 1312831989 /nfs/dbraw/zinc/83/19/89/1312831989.db2.gz MYNNINZNZZONDQ-SJORKVTESA-N 1 1 340.423 2.510 20 10 EFCDMO Oc1cc(C[N@@H+]2CCC[C@H](Sc3ccncc3)C2)cc(O)c1O ZINC001233011510 1312832152 /nfs/dbraw/zinc/83/21/52/1312832152.db2.gz BMEOVEOKSROVIS-AWEZNQCLSA-N 1 1 332.425 2.955 20 10 EFCDMO Oc1cc(C[N@H+]2CCC[C@H](Sc3ccncc3)C2)cc(O)c1O ZINC001233011510 1312832155 /nfs/dbraw/zinc/83/21/55/1312832155.db2.gz BMEOVEOKSROVIS-AWEZNQCLSA-N 1 1 332.425 2.955 20 10 EFCDMO COC(=O)C[C@@H](C)[N@@H+](Cc1ccccc1)Cc1cc(O)c(O)c(O)c1 ZINC001233015572 1312832648 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C[N@H+]1C[C@H]2CC[C@@H](C1)N2Cc1c(O)cc(Br)cc1F ZINC001233031677 1312837550 /nfs/dbraw/zinc/83/75/50/1312837550.db2.gz KWMWLYIKZWPKNQ-PHIMTYICSA-N 1 1 329.213 2.572 20 10 EFCDMO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2Cc1c(O)cc(Br)cc1F ZINC001233031677 1312837553 /nfs/dbraw/zinc/83/75/53/1312837553.db2.gz KWMWLYIKZWPKNQ-PHIMTYICSA-N 1 1 329.213 2.572 20 10 EFCDMO C[N@@H+]1CCC[C@@H]2CN(Cc3c(O)cc(Br)cc3F)C[C@H]21 ZINC001233029848 1312835766 /nfs/dbraw/zinc/83/57/66/1312835766.db2.gz KDTHHTVHHMLDKT-QMTHXVAHSA-N 1 1 343.240 2.820 20 10 EFCDMO C[N@H+]1CCC[C@@H]2CN(Cc3c(O)cc(Br)cc3F)C[C@H]21 ZINC001233029848 1312835768 /nfs/dbraw/zinc/83/57/68/1312835768.db2.gz KDTHHTVHHMLDKT-QMTHXVAHSA-N 1 1 343.240 2.820 20 10 EFCDMO COc1cccc(N2CC[NH+](Cc3cc(Cl)ccc3O)CC2)n1 ZINC001203663731 1291186999 /nfs/dbraw/zinc/18/69/99/1291186999.db2.gz GBKQIDKCLZXSNM-UHFFFAOYSA-N 1 1 333.819 2.771 20 10 EFCDMO Oc1cc(Br)cc(F)c1CN1CCC([NH+]2CCC2)CC1 ZINC001233033695 1312838190 /nfs/dbraw/zinc/83/81/90/1312838190.db2.gz UUEJPLQNJDSYIP-UHFFFAOYSA-N 1 1 343.240 2.964 20 10 EFCDMO COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cc(OC)c(C)cc2O)C1 ZINC000795685923 1291197048 /nfs/dbraw/zinc/19/70/48/1291197048.db2.gz CVJWBRUVUFWOPV-OAHLLOKOSA-N 1 1 347.333 2.637 20 10 EFCDMO Cc1nnc([C@@H](C)[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)s1 ZINC000877346872 1291201614 /nfs/dbraw/zinc/20/16/14/1291201614.db2.gz VCQXQUKOUIADEQ-GFCCVEGCSA-N 1 1 332.473 2.658 20 10 EFCDMO CCOC(=O)[C@H](C)[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)C1CC1 ZINC000877467385 1291241027 /nfs/dbraw/zinc/24/10/27/1291241027.db2.gz FVUKZPGHQBRROO-HNNXBMFYSA-N 1 1 346.471 2.564 20 10 EFCDMO CCOC(=O)[C@H](C)[N@@H+](Cc1ccc(N2CCC(O)CC2)cc1)C1CC1 ZINC000877467385 1291241030 /nfs/dbraw/zinc/24/10/30/1291241030.db2.gz FVUKZPGHQBRROO-HNNXBMFYSA-N 1 1 346.471 2.564 20 10 EFCDMO C[C@H]1C[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C[C@H](C2CC2)O1 ZINC000877486928 1291246159 /nfs/dbraw/zinc/24/61/59/1291246159.db2.gz OESBUMDFACNYDK-MGPUTAFESA-N 1 1 330.472 2.647 20 10 EFCDMO Oc1cc(Br)cc(F)c1CN1CC([NH+]2CCCC2)C1 ZINC001233032282 1312837628 /nfs/dbraw/zinc/83/76/28/1312837628.db2.gz XUNLONAOKVPERG-UHFFFAOYSA-N 1 1 329.213 2.574 20 10 EFCDMO COC(=O)c1coc(C[NH2+]Cc2cccc(Br)c2O)c1 ZINC000775146837 1291254150 /nfs/dbraw/zinc/25/41/50/1291254150.db2.gz QZNFIMOUSRVLDN-UHFFFAOYSA-N 1 1 340.173 2.824 20 10 EFCDMO C[C@H]1C[C@@H](N2CCCC2)C[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877519330 1291256891 /nfs/dbraw/zinc/25/68/91/1291256891.db2.gz XNZIQRATABMMHM-FXAWDEMLSA-N 1 1 343.515 2.706 20 10 EFCDMO C[C@H]1C[C@@H](N2CCCC2)C[N@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877519330 1291256899 /nfs/dbraw/zinc/25/68/99/1291256899.db2.gz XNZIQRATABMMHM-FXAWDEMLSA-N 1 1 343.515 2.706 20 10 EFCDMO C[C@H]1C[C@H](N2CCCC2)C[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877519332 1291257385 /nfs/dbraw/zinc/25/73/85/1291257385.db2.gz XNZIQRATABMMHM-PXNSSMCTSA-N 1 1 343.515 2.706 20 10 EFCDMO C[C@H]1C[C@H](N2CCCC2)C[N@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877519332 1291257391 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COc1cc(O)c(C[N@@H+](C)Cc2cnn(C)c2)cc1Br ZINC001233134796 1312863234 /nfs/dbraw/zinc/86/32/34/1312863234.db2.gz DWBIMXHFLFHUEI-UHFFFAOYSA-N 1 1 340.221 2.529 20 10 EFCDMO C[N@H+]1CC[C@@]2(CCN(Cc3ccc(Br)cc3O)C2)C1 ZINC000691680841 1291681779 /nfs/dbraw/zinc/68/17/79/1291681779.db2.gz VRRAQDPHBYGRNM-OAHLLOKOSA-N 1 1 325.250 2.682 20 10 EFCDMO O=c1[nH]cc(Br)cc1C[N@H+]1CCc2cccc(O)c2C1 ZINC001233187464 1312875216 /nfs/dbraw/zinc/87/52/16/1312875216.db2.gz CMWARCHMCMDZDB-UHFFFAOYSA-N 1 1 335.201 2.814 20 10 EFCDMO COC1(C[NH2+]Cc2ccc(N3CCN(C)CC3)cc2)CCCCC1 ZINC000775321113 1291853184 /nfs/dbraw/zinc/85/31/84/1291853184.db2.gz NJDNISYHIXTVDF-UHFFFAOYSA-N 1 1 331.504 2.877 20 10 EFCDMO COc1cccc(O)c1C[N@@H+]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000796029034 1291888404 /nfs/dbraw/zinc/88/84/04/1291888404.db2.gz HTLCVLHWYKLEIN-OKILXGFUSA-N 1 1 348.443 2.700 20 10 EFCDMO CCOC(=O)c1c(C[N@H+]2CC[C@@H](C)[C@@H](O)C2)c2ccccc2n1C ZINC001233270256 1312889836 /nfs/dbraw/zinc/88/98/36/1312889836.db2.gz GQPSHZPPKWJXBY-DYVFJYSZSA-N 1 1 330.428 2.558 20 10 EFCDMO CCOC(=O)c1c(C[N@H+]2CC[C@](C)(CO)C2)c2ccccc2n1C ZINC001233270430 1312890082 /nfs/dbraw/zinc/89/00/82/1312890082.db2.gz NMDKQNZSJRLRKI-IBGZPJMESA-N 1 1 330.428 2.559 20 10 EFCDMO CCOC(=O)c1c(C[N@H+]2CC[C@H](C)[C@@H](O)CC2)c2ccccc2n1C ZINC001233270233 1312890131 /nfs/dbraw/zinc/89/01/31/1312890131.db2.gz FZTULVVWCXLZFH-KSSFIOAISA-N 1 1 344.455 2.948 20 10 EFCDMO CCOC(=O)c1c(C[N@H+]2CC[C@H]3OCC[C@H]32)c2ccccc2n1C ZINC001233271122 1312890608 /nfs/dbraw/zinc/89/06/08/1312890608.db2.gz NGCMEVCQHGUZNG-IAGOWNOFSA-N 1 1 328.412 2.718 20 10 EFCDMO C[N@@H+](Cc1cc(C(C)(C)C)ccc1O)C1CCS(=O)(=O)CC1 ZINC001233286668 1312895066 /nfs/dbraw/zinc/89/50/66/1312895066.db2.gz DYXNHMLTCIXWAR-UHFFFAOYSA-N 1 1 325.474 2.699 20 10 EFCDMO COc1cc(Cl)cc(CN2CC3(C2)CC[N@@H+](CC2CC2)C3)c1O ZINC001233288605 1312896009 /nfs/dbraw/zinc/89/60/09/1312896009.db2.gz QIYGHPPBLRTDER-UHFFFAOYSA-N 1 1 336.863 2.972 20 10 EFCDMO COc1cc(Cl)cc(C[NH+]2CCN(c3cccnc3)CC2)c1O ZINC001233288079 1312896545 /nfs/dbraw/zinc/89/65/45/1312896545.db2.gz UYEMVNBZUBSTEQ-UHFFFAOYSA-N 1 1 333.819 2.771 20 10 EFCDMO CCOC(=O)c1nc(C[NH2+][C@H](C)c2cc(OC)ccc2O)cs1 ZINC000775376068 1292118324 /nfs/dbraw/zinc/11/83/24/1292118324.db2.gz RVINBOJMTBFEPI-SNVBAGLBSA-N 1 1 336.413 2.885 20 10 EFCDMO O=C1[C@H]2C[N@H+](Cc3c(O)ccc(F)c3F)C[C@H]2CN1c1ccccc1 ZINC001233334066 1312905973 /nfs/dbraw/zinc/90/59/73/1312905973.db2.gz SJYUVEHXEIFZBG-JSGCOSHPSA-N 1 1 344.361 2.765 20 10 EFCDMO O=C1[C@H]2C[N@@H+](Cc3c(O)ccc(F)c3F)C[C@H]2CN1c1ccccc1 ZINC001233334066 1312905975 /nfs/dbraw/zinc/90/59/75/1312905975.db2.gz SJYUVEHXEIFZBG-JSGCOSHPSA-N 1 1 344.361 2.765 20 10 EFCDMO CCN(C)c1ncnc2c1CC[N@H+](Cc1c(O)ccc(F)c1F)CC2 ZINC001233333284 1312906645 /nfs/dbraw/zinc/90/66/45/1312906645.db2.gz QKUZLFIJCAWMPE-UHFFFAOYSA-N 1 1 348.397 2.517 20 10 EFCDMO CCN(C)c1ncnc2c1CC[N@@H+](Cc1c(O)ccc(F)c1F)CC2 ZINC001233333284 1312906647 /nfs/dbraw/zinc/90/66/47/1312906647.db2.gz QKUZLFIJCAWMPE-UHFFFAOYSA-N 1 1 348.397 2.517 20 10 EFCDMO O=C1NCC[C@]12CCC[N@@H+](Cc1cccc(C(F)(F)F)c1O)C2 ZINC001233416442 1312928139 /nfs/dbraw/zinc/92/81/39/1312928139.db2.gz IGDMUGNNSBMUGX-HNNXBMFYSA-N 1 1 328.334 2.513 20 10 EFCDMO O=C1NCC[C@]12CCC[N@H+](Cc1cccc(C(F)(F)F)c1O)C2 ZINC001233416442 1312928142 /nfs/dbraw/zinc/92/81/42/1312928142.db2.gz IGDMUGNNSBMUGX-HNNXBMFYSA-N 1 1 328.334 2.513 20 10 EFCDMO Cn1cnnc1C1CC[NH+](Cc2cccc(C(F)(F)F)c2O)CC1 ZINC001233418694 1312928451 /nfs/dbraw/zinc/92/84/51/1312928451.db2.gz RIDJNJUZFSIOKA-UHFFFAOYSA-N 1 1 340.349 2.919 20 10 EFCDMO CN1CCC2(CC[NH+](Cc3cccc(C(F)(F)F)c3O)CC2)C1=O ZINC001233419373 1312928542 /nfs/dbraw/zinc/92/85/42/1312928542.db2.gz VSNOVSUMKNBKRT-UHFFFAOYSA-N 1 1 342.361 2.855 20 10 EFCDMO CN1C(=O)CC[C@H]2C[N@@H+](Cc3cccc(C(F)(F)F)c3O)CC[C@H]21 ZINC001233419591 1312928785 /nfs/dbraw/zinc/92/87/85/1312928785.db2.gz FKOJKYBQKVPFFC-SMDDNHRTSA-N 1 1 342.361 2.854 20 10 EFCDMO CN1C(=O)CC[C@H]2C[N@H+](Cc3cccc(C(F)(F)F)c3O)CC[C@H]21 ZINC001233419591 1312928787 /nfs/dbraw/zinc/92/87/87/1312928787.db2.gz FKOJKYBQKVPFFC-SMDDNHRTSA-N 1 1 342.361 2.854 20 10 EFCDMO O=C1OCCC12CC[NH+](Cc1cccc(C(F)(F)F)c1O)CC2 ZINC001233419158 1312929126 /nfs/dbraw/zinc/92/91/26/1312929126.db2.gz LJQQOQBKAIQGNF-UHFFFAOYSA-N 1 1 329.318 2.940 20 10 EFCDMO COCCCN1CC[NH+](Cc2ccc(C(F)(F)F)cc2O)CC1 ZINC001233454339 1312934728 /nfs/dbraw/zinc/93/47/28/1312934728.db2.gz QOPYVDKVRYKUAP-UHFFFAOYSA-N 1 1 332.366 2.565 20 10 EFCDMO Oc1cc(O)c(C[N@H+]2CC[C@@H](Oc3cc(F)ccc3F)C2)cc1O ZINC001233485454 1312939457 /nfs/dbraw/zinc/93/94/57/1312939457.db2.gz WKRGMKUYOANXND-GFCCVEGCSA-N 1 1 337.322 2.735 20 10 EFCDMO Oc1cc(O)c(CN2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1O ZINC001233487191 1312940117 /nfs/dbraw/zinc/94/01/17/1312940117.db2.gz UEDABFAPYJOJRH-DOTOQJQBSA-N 1 1 340.423 2.510 20 10 EFCDMO Oc1cc(O)c(C[N@@H+]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)cc1O ZINC001233487191 1312940120 /nfs/dbraw/zinc/94/01/20/1312940120.db2.gz UEDABFAPYJOJRH-DOTOQJQBSA-N 1 1 340.423 2.510 20 10 EFCDMO Oc1cc(O)c(C[N@H+]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)cc1O ZINC001233487191 1312940123 /nfs/dbraw/zinc/94/01/23/1312940123.db2.gz UEDABFAPYJOJRH-DOTOQJQBSA-N 1 1 340.423 2.510 20 10 EFCDMO Oc1cc(O)c(CN2C[C@H]3[C@@H](CC[N@H+]3Cc3ccccc3)C2)cc1O ZINC001233485609 1312940552 /nfs/dbraw/zinc/94/05/52/1312940552.db2.gz CYOXBNCNAAANRE-RDJZCZTQSA-N 1 1 340.423 2.510 20 10 EFCDMO Oc1cc(O)c(C[N@H+]2C[C@H]3[C@@H](CCN3Cc3ccccc3)C2)cc1O ZINC001233485609 1312940556 /nfs/dbraw/zinc/94/05/56/1312940556.db2.gz CYOXBNCNAAANRE-RDJZCZTQSA-N 1 1 340.423 2.510 20 10 EFCDMO Oc1cc(O)c(C[N@@H+]2C[C@H]3[C@@H](CCN3Cc3ccccc3)C2)cc1O ZINC001233485609 1312940559 /nfs/dbraw/zinc/94/05/59/1312940559.db2.gz CYOXBNCNAAANRE-RDJZCZTQSA-N 1 1 340.423 2.510 20 10 EFCDMO [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2cc(Br)c(F)cc2[O-])CC1 ZINC001205570361 1292631292 /nfs/dbraw/zinc/63/12/92/1292631292.db2.gz JBJNHUNFLPTAOV-CQSZACIVSA-N 1 1 349.219 2.947 20 10 EFCDMO C[N@@H+](Cc1ccc(-n2ccnc2)cc1)Cc1cc(O)c(O)cc1O ZINC001233487146 1312940825 /nfs/dbraw/zinc/94/08/25/1312940825.db2.gz RXHZNJIPGUGNOQ-UHFFFAOYSA-N 1 1 325.368 2.621 20 10 EFCDMO CN1CCCc2cc(CNCc3ncc(C[NH+](C)C)s3)ccc21 ZINC000796278593 1292728797 /nfs/dbraw/zinc/72/87/97/1292728797.db2.gz BTSYJUYQQPNBJQ-UHFFFAOYSA-N 1 1 330.501 2.877 20 10 EFCDMO Oc1ccccc1C[N@@H+]1CCc2onc(COc3cccnc3)c2C1 ZINC001203556297 1312955269 /nfs/dbraw/zinc/95/52/69/1312955269.db2.gz LQRKSYRQMCZBJC-UHFFFAOYSA-N 1 1 337.379 2.913 20 10 EFCDMO Oc1ccccc1C[N@H+]1CCc2onc(COc3cccnc3)c2C1 ZINC001203556297 1312955273 /nfs/dbraw/zinc/95/52/73/1312955273.db2.gz LQRKSYRQMCZBJC-UHFFFAOYSA-N 1 1 337.379 2.913 20 10 EFCDMO CC(C)COC[C@@H]1C[N@H+](Cc2ccccc2O)Cc2ncn(C)c21 ZINC001203551320 1312953882 /nfs/dbraw/zinc/95/38/82/1312953882.db2.gz CGVWTUORWJDHFQ-INIZCTEOSA-N 1 1 329.444 2.898 20 10 EFCDMO CC(C)COC[C@@H]1C[N@@H+](Cc2ccccc2O)Cc2ncn(C)c21 ZINC001203551320 1312953886 /nfs/dbraw/zinc/95/38/86/1312953886.db2.gz CGVWTUORWJDHFQ-INIZCTEOSA-N 1 1 329.444 2.898 20 10 EFCDMO Cc1nc(CN2C(=O)C[C@@H]3[C@@H]2CC[N@H+]3Cc2ccccc2O)cs1 ZINC001203552670 1312953932 /nfs/dbraw/zinc/95/39/32/1312953932.db2.gz PTYMSKLRVPBPCR-JKSUJKDBSA-N 1 1 343.452 2.533 20 10 EFCDMO CC(C)C(=O)NC[C@H]1CCC[C@]2(CC[N@@H+](Cc3ccccc3O)C2)O1 ZINC001203552586 1312954038 /nfs/dbraw/zinc/95/40/38/1312954038.db2.gz ONSHDHCDJHSIIH-YLJYHZDGSA-N 1 1 346.471 2.678 20 10 EFCDMO [NH3+]C[C@]1(F)CCC[N@@H+](Cc2c([O-])cc(Br)cc2F)CC1 ZINC001205580181 1292807158 /nfs/dbraw/zinc/80/71/58/1292807158.db2.gz RBMBYGRRMDKTMK-AWEZNQCLSA-N 1 1 349.219 2.947 20 10 EFCDMO CCOC(=O)C1CC[NH+](C2CCN(Cc3ccccc3O)CC2)CC1 ZINC001203551514 1312954643 /nfs/dbraw/zinc/95/46/43/1312954643.db2.gz GNIDWULMVHTVJS-UHFFFAOYSA-N 1 1 346.471 2.632 20 10 EFCDMO Oc1ccccc1C[N@H+]1CCN2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001203552928 1312955115 /nfs/dbraw/zinc/95/51/15/1312955115.db2.gz VQTYCCBTSRFULD-PKOBYXMFSA-N 1 1 342.414 2.869 20 10 EFCDMO Oc1ccccc1CN1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001203552928 1312955119 /nfs/dbraw/zinc/95/51/19/1312955119.db2.gz VQTYCCBTSRFULD-PKOBYXMFSA-N 1 1 342.414 2.869 20 10 EFCDMO Oc1ccccc1CN1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001203552928 1312955122 /nfs/dbraw/zinc/95/51/22/1312955122.db2.gz VQTYCCBTSRFULD-PKOBYXMFSA-N 1 1 342.414 2.869 20 10 EFCDMO COc1ccc(CC[N@H+](Cc2cccc(OC)c2O)C[C@@H](C)O)cc1 ZINC001203585756 1312963295 /nfs/dbraw/zinc/96/32/95/1312963295.db2.gz TWRTWVALWHQDGI-OAHLLOKOSA-N 1 1 345.439 2.835 20 10 EFCDMO COc1cccc(C[N@H+]2C[C@H]3C[C@@H](C2)N3C(=O)OC(C)(C)C)c1O ZINC001203589671 1312964666 /nfs/dbraw/zinc/96/46/66/1312964666.db2.gz KPMCQOORVJNTNZ-OKILXGFUSA-N 1 1 334.416 2.594 20 10 EFCDMO COc1cccc(C[N@@H+]2C[C@H]3C[C@@H](C2)N3C(=O)OC(C)(C)C)c1O ZINC001203589671 1312964670 /nfs/dbraw/zinc/96/46/70/1312964670.db2.gz KPMCQOORVJNTNZ-OKILXGFUSA-N 1 1 334.416 2.594 20 10 EFCDMO COc1cccc(C[N@@H+]2CCC[C@H]3[C@H]2CN3C(=O)OC(C)(C)C)c1O ZINC001203589985 1312965193 /nfs/dbraw/zinc/96/51/93/1312965193.db2.gz PQGDYUUFYHBHFJ-LSDHHAIUSA-N 1 1 348.443 2.985 20 10 EFCDMO COc1cccc(C[N@H+]2CCC[C@H]3[C@H]2CN3C(=O)OC(C)(C)C)c1O ZINC001203589985 1312965197 /nfs/dbraw/zinc/96/51/97/1312965197.db2.gz PQGDYUUFYHBHFJ-LSDHHAIUSA-N 1 1 348.443 2.985 20 10 EFCDMO COc1cccc(C[NH+]2CC(N3Cc4ccccc4NC3=O)C2)c1O ZINC001203601776 1312967253 /nfs/dbraw/zinc/96/72/53/1312967253.db2.gz KVYQJRJLJKGPIH-UHFFFAOYSA-N 1 1 339.395 2.633 20 10 EFCDMO CCOc1cccc(CN2CCC([N@@H+](CC)[C@H]3CCOC3)CC2)c1O ZINC001203613918 1312971204 /nfs/dbraw/zinc/97/12/04/1312971204.db2.gz JXOYSJRCQMKEPD-SFHVURJKSA-N 1 1 348.487 2.866 20 10 EFCDMO COc1cccc(C[N@H+]2CCC[C@@H](Oc3nccnc3C)C2)c1O ZINC001203601885 1312968036 /nfs/dbraw/zinc/96/80/36/1312968036.db2.gz PNEVTMRBOYJLHW-OAHLLOKOSA-N 1 1 329.400 2.543 20 10 EFCDMO COc1cccc(O[C@H]2CCC[N@@H+](Cc3cccc(OC)c3O)C2)n1 ZINC001203601961 1312968132 /nfs/dbraw/zinc/96/81/32/1312968132.db2.gz SWHIGXBHWORPHF-HNNXBMFYSA-N 1 1 344.411 2.848 20 10 EFCDMO CCOc1cccc(C[N@H+]2CCC[C@@H](C(=O)N(CC)CC)C2)c1O ZINC001203602245 1312968356 /nfs/dbraw/zinc/96/83/56/1312968356.db2.gz LEXHKZQSJAYVNY-MRXNPFEDSA-N 1 1 334.460 2.871 20 10 EFCDMO CCOc1cccc(C[N@H+]2CCC[C@H](C(=O)N(CC)CC)C2)c1O ZINC001203602244 1312968365 /nfs/dbraw/zinc/96/83/65/1312968365.db2.gz LEXHKZQSJAYVNY-INIZCTEOSA-N 1 1 334.460 2.871 20 10 EFCDMO CCOC[C@@H]1C[N@@H+](Cc2cccc(OCC)c2O)Cc2cn(C)nc21 ZINC001203608531 1312970323 /nfs/dbraw/zinc/97/03/23/1312970323.db2.gz SNLFVFWLZWIMNC-INIZCTEOSA-N 1 1 345.443 2.660 20 10 EFCDMO COc1cccc(C[N@H+]2CC[C@]3(CCCN3C(=O)C(C)C)C2)c1O ZINC001203593626 1312965977 /nfs/dbraw/zinc/96/59/77/1312965977.db2.gz OYOMOPRTCNLYGI-LJQANCHMSA-N 1 1 332.444 2.624 20 10 EFCDMO CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1cccc(OCC)c1O ZINC001203614588 1312971445 /nfs/dbraw/zinc/97/14/45/1312971445.db2.gz AHELHXJSUFHRBM-QRTARXTBSA-N 1 1 333.428 2.955 20 10 EFCDMO CCOc1cccc(C[N@H+]2CCC[C@H](Oc3ncc(C)cn3)C2)c1O ZINC001203617595 1312972658 /nfs/dbraw/zinc/97/26/58/1312972658.db2.gz RBRMDEIPAWDDTN-INIZCTEOSA-N 1 1 343.427 2.933 20 10 EFCDMO CCOc1cccc(C[N@H+]2CC[C@@H](Oc3nccnc3C)C2)c1O ZINC001203617135 1312972662 /nfs/dbraw/zinc/97/26/62/1312972662.db2.gz IZDQFMNGZPAWEI-OAHLLOKOSA-N 1 1 329.400 2.543 20 10 EFCDMO COc1ccc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)CC23CC3)c(O)c1 ZINC001203622190 1312972868 /nfs/dbraw/zinc/97/28/68/1312972868.db2.gz SLQGGZGKZNYYSO-UHFFFAOYSA-N 1 1 348.443 2.986 20 10 EFCDMO COc1ccc(C[N@H+]2CCN(C(=O)OC(C)(C)C)CC23CC3)c(O)c1 ZINC001203622190 1312972872 /nfs/dbraw/zinc/97/28/72/1312972872.db2.gz SLQGGZGKZNYYSO-UHFFFAOYSA-N 1 1 348.443 2.986 20 10 EFCDMO COc1ccc(C[N@@H+]2CCC[C@@H]3[C@H]2CN3C(=O)OC(C)(C)C)c(O)c1 ZINC001203622054 1312972937 /nfs/dbraw/zinc/97/29/37/1312972937.db2.gz MWIJRKMQMFRVDQ-HZPDHXFCSA-N 1 1 348.443 2.985 20 10 EFCDMO COc1ccc(C[N@H+]2CCC[C@@H]3[C@H]2CN3C(=O)OC(C)(C)C)c(O)c1 ZINC001203622054 1312972939 /nfs/dbraw/zinc/97/29/39/1312972939.db2.gz MWIJRKMQMFRVDQ-HZPDHXFCSA-N 1 1 348.443 2.985 20 10 EFCDMO COc1ccc(C[NH+]2CC3(C2)CCCN3C(=O)OC(C)(C)C)c(O)c1 ZINC001203622194 1312973247 /nfs/dbraw/zinc/97/32/47/1312973247.db2.gz SXANPLVQOXCCCK-UHFFFAOYSA-N 1 1 348.443 2.986 20 10 EFCDMO COc1ccc(C[N@H+]2CCCN(Cc3ccncc3)CC2)c(O)c1 ZINC001203621286 1312973392 /nfs/dbraw/zinc/97/33/92/1312973392.db2.gz RHXIGOLLZBNVNG-UHFFFAOYSA-N 1 1 327.428 2.504 20 10 EFCDMO COc1ccc(C[N@H+]2CC[C@@]3(CCN3C(=O)OC(C)(C)C)C2)c(O)c1 ZINC001203622241 1312973567 /nfs/dbraw/zinc/97/35/67/1312973567.db2.gz VGHOETJBNHCYJY-LJQANCHMSA-N 1 1 348.443 2.986 20 10 EFCDMO COc1ccc(CN2CC3(C2)CC[N@@H+](Cc2cccnc2)C3)c(O)c1 ZINC001203623518 1312973905 /nfs/dbraw/zinc/97/39/05/1312973905.db2.gz STUJWKNNEMEXPO-UHFFFAOYSA-N 1 1 339.439 2.504 20 10 EFCDMO COc1ccc(C[NH+]2CC3(C2)CCN(Cc2cccnc2)C3)c(O)c1 ZINC001203623518 1312973907 /nfs/dbraw/zinc/97/39/07/1312973907.db2.gz STUJWKNNEMEXPO-UHFFFAOYSA-N 1 1 339.439 2.504 20 10 EFCDMO COCC[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1ccc(OC)cc1O)C2 ZINC001203623626 1312974620 /nfs/dbraw/zinc/97/46/20/1312974620.db2.gz VJCORIAGXRQZLK-KXBFYZLASA-N 1 1 335.444 2.808 20 10 EFCDMO COC(=O)c1ccc2c(c1)C[N@H+](Cc1ccc(OC)cc1O)CC2 ZINC001203627556 1312975226 /nfs/dbraw/zinc/97/52/26/1312975226.db2.gz IUEVRPDDOAOUBX-UHFFFAOYSA-N 1 1 327.380 2.746 20 10 EFCDMO COc1ccc(C[N@H+]2CCC[C@H](Oc3ncncc3C)C2)c(O)c1 ZINC001203635440 1312977558 /nfs/dbraw/zinc/97/75/58/1312977558.db2.gz VBQAGFFEIFKBAO-INIZCTEOSA-N 1 1 329.400 2.543 20 10 EFCDMO COc1ccc(O[C@H]2CCC[N@@H+](Cc3ccc(OC)cc3O)C2)nc1 ZINC001203635160 1312977853 /nfs/dbraw/zinc/97/78/53/1312977853.db2.gz MABOLEPNYFCCKC-KRWDZBQOSA-N 1 1 344.411 2.848 20 10 EFCDMO C[N@H+]1C[C@H]2CCCN(Cc3cc(Br)ccc3O)[C@@H]2C1 ZINC001203645796 1312979560 /nfs/dbraw/zinc/97/95/60/1312979560.db2.gz SPAHYRZBFUNKMD-BXUZGUMPSA-N 1 1 325.250 2.681 20 10 EFCDMO CC(=O)N1CCC([N@@H+](C)Cc2cc(Br)ccc2O)CC1 ZINC001203645486 1312979955 /nfs/dbraw/zinc/97/99/55/1312979955.db2.gz KXYYENBKZDVRTK-UHFFFAOYSA-N 1 1 341.249 2.597 20 10 EFCDMO Cc1nc(CC[N@H+](C)Cc2cccc(OC(F)(F)F)c2O)no1 ZINC001233737146 1312981763 /nfs/dbraw/zinc/98/17/63/1312981763.db2.gz XBXJFGSNHXVTBH-UHFFFAOYSA-N 1 1 331.294 2.657 20 10 EFCDMO C[N@@H+](CCC1CCOCC1)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000129654485 1293199337 /nfs/dbraw/zinc/19/93/37/1293199337.db2.gz GJJFEMJWWXHCKR-UHFFFAOYSA-N 1 1 336.451 2.911 20 10 EFCDMO O=C(N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)N1CCCC1 ZINC001203665889 1312984491 /nfs/dbraw/zinc/98/44/91/1312984491.db2.gz ZSBHHSDKPKYDAA-OAHLLOKOSA-N 1 1 337.851 2.815 20 10 EFCDMO COc1ccc(O)c(C[N@H+]2CC[C@@]3(CCCN3C(=O)C(C)C)C2)c1 ZINC001203674760 1312987148 /nfs/dbraw/zinc/98/71/48/1312987148.db2.gz APRDNSIFQHATID-IBGZPJMESA-N 1 1 332.444 2.624 20 10 EFCDMO COc1ccc(O)c(C[N@H+]2C[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]32)c1 ZINC001203671069 1312985687 /nfs/dbraw/zinc/98/56/87/1312985687.db2.gz IPTAEAPAQHYYFI-HOCLYGCPSA-N 1 1 348.443 2.842 20 10 EFCDMO COc1ccc(CC[N@H+](Cc2cc(OC)ccc2O)C[C@@H](C)O)cc1 ZINC001203670376 1312985963 /nfs/dbraw/zinc/98/59/63/1312985963.db2.gz PWKWAWUSKBEFBS-OAHLLOKOSA-N 1 1 345.439 2.835 20 10 EFCDMO CCOC(=O)[C@H]1CC[N@@H+](Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001233761311 1312986066 /nfs/dbraw/zinc/98/60/66/1312986066.db2.gz REQVSJQRMNINGI-NSHDSACASA-N 1 1 333.306 2.676 20 10 EFCDMO CCOC[C@@H]1C[N@@H+](Cc2cc(OC)ccc2O)Cc2cnn(CC)c21 ZINC001203671527 1312986019 /nfs/dbraw/zinc/98/60/19/1312986019.db2.gz QQWYFMXNKBLFSX-INIZCTEOSA-N 1 1 345.443 2.753 20 10 EFCDMO COc1ccc(O)c(C[N@H+]2CC[C@@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)c1 ZINC001203671142 1312986030 /nfs/dbraw/zinc/98/60/30/1312986030.db2.gz KPNLFDXOTILVGZ-JKSUJKDBSA-N 1 1 348.443 2.985 20 10 EFCDMO COc1ccc(O)c(C[N@H+]2CC[C@@H]3[C@@H](CN3C(=O)OC(C)(C)C)C2)c1 ZINC001203670390 1312986150 /nfs/dbraw/zinc/98/61/50/1312986150.db2.gz QJNKUWAMVKFMRV-GDBMZVCRSA-N 1 1 348.443 2.842 20 10 EFCDMO COC(=O)[C@@H]1C[C@@H](C)C[N@@H+](Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001233760581 1312986186 /nfs/dbraw/zinc/98/61/86/1312986186.db2.gz HYTVBIDVTKLJQD-ZYHUDNBSSA-N 1 1 347.333 2.922 20 10 EFCDMO COc1ccc(O)c(C[N@H+]2CCO[C@H]3[C@H](OCC4CC4)CC[C@@H]32)c1 ZINC001203673182 1312986293 /nfs/dbraw/zinc/98/62/93/1312986293.db2.gz PVWLBMYYYQBZMO-QXAKKESOSA-N 1 1 333.428 2.559 20 10 EFCDMO COc1ccc(O)c(C[N@H+]2CC[C@@]3(C2)c2ccccc2N(C)C3=O)c1 ZINC001203674826 1312987246 /nfs/dbraw/zinc/98/72/46/1312987246.db2.gz CUUXNNURPVVRSP-HXUWFJFHSA-N 1 1 338.407 2.521 20 10 EFCDMO C[N@@H+](C1CC1)[C@H]1CCN(Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001233768676 1312987881 /nfs/dbraw/zinc/98/78/81/1312987881.db2.gz WPWUJJBBSJTUSA-ZDUSSCGKSA-N 1 1 330.350 2.959 20 10 EFCDMO CN(C1CC1)[C@H]1CC[N@H+](Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001233768676 1312987885 /nfs/dbraw/zinc/98/78/85/1312987885.db2.gz WPWUJJBBSJTUSA-ZDUSSCGKSA-N 1 1 330.350 2.959 20 10 EFCDMO CN(C1CC1)[C@H]1CC[N@@H+](Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001233768676 1312987886 /nfs/dbraw/zinc/98/78/86/1312987886.db2.gz WPWUJJBBSJTUSA-ZDUSSCGKSA-N 1 1 330.350 2.959 20 10 EFCDMO COc1ccc(O)c(C[NH+]2CCN(c3ncccc3Cl)CC2)c1 ZINC001203680203 1312988990 /nfs/dbraw/zinc/98/89/90/1312988990.db2.gz KODAUHSSNXJLEX-UHFFFAOYSA-N 1 1 333.819 2.771 20 10 EFCDMO COc1ccc(O)c(C[N@H+]2CCC[C@H](Oc3cccc(OC)n3)C2)c1 ZINC001203681375 1312989210 /nfs/dbraw/zinc/98/92/10/1312989210.db2.gz VKWHXVBMYAPAEY-INIZCTEOSA-N 1 1 344.411 2.848 20 10 EFCDMO COC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[N@@H+]1Cc1cccc(OC(F)(F)F)c1O ZINC001233776175 1312989436 /nfs/dbraw/zinc/98/94/36/1312989436.db2.gz MGUKJPAELLGQFA-CDMKHQONSA-N 1 1 345.317 2.817 20 10 EFCDMO COC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[N@H+]1Cc1cccc(OC(F)(F)F)c1O ZINC001233776175 1312989440 /nfs/dbraw/zinc/98/94/40/1312989440.db2.gz MGUKJPAELLGQFA-CDMKHQONSA-N 1 1 345.317 2.817 20 10 EFCDMO Fc1cc(C[N@@H+](C[C@@H]2CCOC2)C2CC2)ccc1N1CCOCC1 ZINC000129973594 1293302807 /nfs/dbraw/zinc/30/28/07/1293302807.db2.gz AMQJAJWGFASALH-INIZCTEOSA-N 1 1 334.435 2.663 20 10 EFCDMO Oc1c(F)cc(F)cc1C[NH2+]C[C@H](c1ccccc1)N1CCOCC1 ZINC000882882696 1293369185 /nfs/dbraw/zinc/36/91/85/1293369185.db2.gz WQYSEYIFUMQRQW-GOSISDBHSA-N 1 1 348.393 2.834 20 10 EFCDMO CC(C)[N@@H+]1CC[C@H](NC(=O)c2cc(O)c(O)c(Cl)c2)[C@@H](C)C1 ZINC001193635001 1293377735 /nfs/dbraw/zinc/37/77/35/1293377735.db2.gz OULGGASPUOTIKL-GWCFXTLKSA-N 1 1 326.824 2.600 20 10 EFCDMO CC(C)[N@H+]1CC[C@H](NC(=O)c2cc(O)c(O)c(Cl)c2)[C@@H](C)C1 ZINC001193635001 1293377744 /nfs/dbraw/zinc/37/77/44/1293377744.db2.gz OULGGASPUOTIKL-GWCFXTLKSA-N 1 1 326.824 2.600 20 10 EFCDMO COCc1cc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)no1 ZINC000882924199 1293386052 /nfs/dbraw/zinc/38/60/52/1293386052.db2.gz XQYXSZPZELOMPT-CQSZACIVSA-N 1 1 331.416 2.508 20 10 EFCDMO CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(F)cc(F)c2[O-])[C@H](C)C1 ZINC000883003158 1293424236 /nfs/dbraw/zinc/42/42/36/1293424236.db2.gz BCFAZLDMHLLXNW-CXAGYDPISA-N 1 1 342.430 2.897 20 10 EFCDMO CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(F)cc(F)c2[O-])[C@@H](C)C1 ZINC000883003161 1293424457 /nfs/dbraw/zinc/42/44/57/1293424457.db2.gz BCFAZLDMHLLXNW-SUMWQHHRSA-N 1 1 342.430 2.897 20 10 EFCDMO CCC[N@@H+](CCNS(=O)(=O)c1ccccc1)Cc1ccccc1O ZINC000130729498 1293428160 /nfs/dbraw/zinc/42/81/60/1293428160.db2.gz TWSSXAAISSKQMZ-UHFFFAOYSA-N 1 1 348.468 2.583 20 10 EFCDMO COc1cc(NCC[NH2+]Cc2cc(F)cc(F)c2O)cc(OC)c1 ZINC000883073939 1293450529 /nfs/dbraw/zinc/45/05/29/1293450529.db2.gz HCPTVDCJHLTZEK-UHFFFAOYSA-N 1 1 338.354 2.889 20 10 EFCDMO C[C@@H]([NH2+]Cc1cc(Br)cc(F)c1O)[C@@H](O)C(F)(F)F ZINC000883194802 1293501639 /nfs/dbraw/zinc/50/16/39/1293501639.db2.gz DAPXXWMKHWGMBJ-GPXNAGAYSA-N 1 1 346.118 2.695 20 10 EFCDMO CN1CCN(c2ccc(C[N@H+](C)CCOc3ccccc3)cc2)CC1 ZINC000775634794 1293794495 /nfs/dbraw/zinc/79/44/95/1293794495.db2.gz YDXAVCIRAFRLPO-UHFFFAOYSA-N 1 1 339.483 2.949 20 10 EFCDMO CN1CCN(c2ccc(C[N@@H+](C)CCOc3ccccc3)cc2)CC1 ZINC000775634794 1293794501 /nfs/dbraw/zinc/79/45/01/1293794501.db2.gz YDXAVCIRAFRLPO-UHFFFAOYSA-N 1 1 339.483 2.949 20 10 EFCDMO Cc1cccc(C[N@H+](C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)c1O ZINC000775644649 1293851161 /nfs/dbraw/zinc/85/11/61/1293851161.db2.gz QFTWHQOYMCUMCI-ZDUSSCGKSA-N 1 1 334.441 2.541 20 10 EFCDMO CNC(=O)c1ccc(C[N@@H+](Cc2cc(OC)ccc2O)C2CC2)cc1 ZINC000775648945 1293876327 /nfs/dbraw/zinc/87/63/27/1293876327.db2.gz IABVOFOVWCMQMF-UHFFFAOYSA-N 1 1 340.423 2.925 20 10 EFCDMO COc1ccc(O)c(C[N@@H+](C)Cc2ccc(C(=O)NC3CC3)cc2)c1 ZINC000775649038 1293877239 /nfs/dbraw/zinc/87/72/39/1293877239.db2.gz ITGFMRFBVYYHBH-UHFFFAOYSA-N 1 1 340.423 2.925 20 10 EFCDMO COCCN(Cc1ccco1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775657220 1293929278 /nfs/dbraw/zinc/92/92/78/1293929278.db2.gz YTDFRLCLIXTCKA-UHFFFAOYSA-N 1 1 343.471 2.680 20 10 EFCDMO COc1ccc(CC[N@H+](Cc2ccc(O)c(O)c2)C[C@H](C)O)cc1 ZINC001203875911 1313038503 /nfs/dbraw/zinc/03/85/03/1313038503.db2.gz YWFYHOWXNHVTED-AWEZNQCLSA-N 1 1 331.412 2.532 20 10 EFCDMO C[C@@H]1C[N@H+](Cc2ccc(F)cc2)CCN1Cc1ccc(O)c(O)c1 ZINC001203875145 1313038507 /nfs/dbraw/zinc/03/85/07/1313038507.db2.gz IRPPYJPFRLAPRS-CQSZACIVSA-N 1 1 330.403 2.943 20 10 EFCDMO C[C@@H]1C[N@@H+](Cc2ccc(F)cc2)CCN1Cc1ccc(O)c(O)c1 ZINC001203875145 1313038509 /nfs/dbraw/zinc/03/85/09/1313038509.db2.gz IRPPYJPFRLAPRS-CQSZACIVSA-N 1 1 330.403 2.943 20 10 EFCDMO CC(C)(C)OC(=O)N1CCCC2(C[NH+](Cc3ccc(O)c(O)c3)C2)C1 ZINC001203875340 1313038537 /nfs/dbraw/zinc/03/85/37/1313038537.db2.gz LWTQUZMQPYXTCM-UHFFFAOYSA-N 1 1 348.443 2.931 20 10 EFCDMO C[C@H]1CCN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccc(O)c(O)c1 ZINC001203875307 1313038573 /nfs/dbraw/zinc/03/85/73/1313038573.db2.gz KUCZSASTSKAUNV-ZDUSSCGKSA-N 1 1 336.432 2.929 20 10 EFCDMO C[C@H]1CCN(C(=O)OC(C)(C)C)CC[N@H+]1Cc1ccc(O)c(O)c1 ZINC001203875307 1313038576 /nfs/dbraw/zinc/03/85/76/1313038576.db2.gz KUCZSASTSKAUNV-ZDUSSCGKSA-N 1 1 336.432 2.929 20 10 EFCDMO CN1CCN(c2ccc(C[N@@H+]3CCC[C@H](c4cc[nH]n4)C3)cc2)CC1 ZINC000775657871 1293933565 /nfs/dbraw/zinc/93/35/65/1293933565.db2.gz ANYHSDIAFFDAPE-SFHVURJKSA-N 1 1 339.487 2.541 20 10 EFCDMO CN1CCN(c2ccc(C[N@H+]3CCC[C@H](c4cc[nH]n4)C3)cc2)CC1 ZINC000775657871 1293933572 /nfs/dbraw/zinc/93/35/72/1293933572.db2.gz ANYHSDIAFFDAPE-SFHVURJKSA-N 1 1 339.487 2.541 20 10 EFCDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(Cc1ccc(O)c(O)c1)[C@H]2C ZINC001203877679 1313039188 /nfs/dbraw/zinc/03/91/88/1313039188.db2.gz VXMSVFVMOZQNCS-AWEZNQCLSA-N 1 1 344.459 2.711 20 10 EFCDMO CC(C)(C)OC(=O)N[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccc(O)c(O)c1)C2 ZINC001203877976 1313039239 /nfs/dbraw/zinc/03/92/39/1313039239.db2.gz MKLSJGKCTVHITA-AUUYWEPGSA-N 1 1 348.443 2.977 20 10 EFCDMO CCOc1cccc(N2CC[NH+](Cc3ccc(O)c(O)c3)CC2)c1 ZINC001203880717 1313039622 /nfs/dbraw/zinc/03/96/22/1313039622.db2.gz XCMDUUBVMHRWOX-UHFFFAOYSA-N 1 1 328.412 2.819 20 10 EFCDMO CC(C)OC1CC[NH+](Cc2ccc(N3CCN(C)CC3)cc2)CC1 ZINC000775663178 1293948387 /nfs/dbraw/zinc/94/83/87/1293948387.db2.gz KMOVIMJDWSAYPS-UHFFFAOYSA-N 1 1 331.504 2.828 20 10 EFCDMO NC(=O)[C@H](c1ccccc1)[C@@H]1CCCC[N@H+]1Cc1ccc(O)c(O)c1 ZINC001203879289 1313039808 /nfs/dbraw/zinc/03/98/08/1313039808.db2.gz HUJWBDFGMUMDQA-QFBILLFUSA-N 1 1 340.423 2.721 20 10 EFCDMO C[C@H]1C[N@H+](Cc2ccc(O)c(O)c2)CCCN1C(=O)OC(C)(C)C ZINC001203880520 1313039896 /nfs/dbraw/zinc/03/98/96/1313039896.db2.gz UWDGRFAHFMNPRM-ZDUSSCGKSA-N 1 1 336.432 2.929 20 10 EFCDMO C[C@H]1C[N@@H+](Cc2ccc(O)c(O)c2)CCCN1C(=O)OC(C)(C)C ZINC001203880520 1313039900 /nfs/dbraw/zinc/03/99/00/1313039900.db2.gz UWDGRFAHFMNPRM-ZDUSSCGKSA-N 1 1 336.432 2.929 20 10 EFCDMO Cc1ccc(C[N@H+]2CC[C@@H]3[C@@H]2CCN3Cc2ccc(O)c(O)c2)o1 ZINC001203878889 1313039991 /nfs/dbraw/zinc/03/99/91/1313039991.db2.gz XPKWTGIVKNVOAM-SJORKVTESA-N 1 1 328.412 2.848 20 10 EFCDMO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](Cc3ccc(O)c(O)c3)C[C@@H]2C1 ZINC001203882897 1313040634 /nfs/dbraw/zinc/04/06/34/1313040634.db2.gz WMUPDVYDNVWFQH-HUUCEWRRSA-N 1 1 348.443 2.787 20 10 EFCDMO C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccc(O)c(O)c1 ZINC001203882929 1313040669 /nfs/dbraw/zinc/04/06/69/1313040669.db2.gz XPXXJXPKWWPIEH-GXTWGEPZSA-N 1 1 336.432 2.975 20 10 EFCDMO C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C[N@H+]1Cc1ccc(O)c(O)c1 ZINC001203882929 1313040673 /nfs/dbraw/zinc/04/06/73/1313040673.db2.gz XPXXJXPKWWPIEH-GXTWGEPZSA-N 1 1 336.432 2.975 20 10 EFCDMO Oc1ccc(C[NH+]2CCN(c3nccc4occc43)CC2)cc1O ZINC001203882667 1313040753 /nfs/dbraw/zinc/04/07/53/1313040753.db2.gz PULOUEXEFGHGSW-UHFFFAOYSA-N 1 1 325.368 2.561 20 10 EFCDMO CN(C)c1ccc(C[N@@H+]2C[C@H]3CN(C(=O)c4ccccc4)C[C@H]3C2)cc1 ZINC001203931025 1313049525 /nfs/dbraw/zinc/04/95/25/1313049525.db2.gz LFJNXVWKVFRFJF-BGYRXZFFSA-N 1 1 349.478 2.957 20 10 EFCDMO CCN(C)c1ncnc2c1CC[N@@H+](Cc1ccc(N(C)C)cc1)CC2 ZINC001203932008 1313049539 /nfs/dbraw/zinc/04/95/39/1313049539.db2.gz OEKMFUHMINLMQU-UHFFFAOYSA-N 1 1 339.487 2.600 20 10 EFCDMO CN(C)c1ccc(C[N@H+]2CC[C@@H](F)[C@](O)(C(F)(F)F)CC2)cc1 ZINC001203931923 1313049913 /nfs/dbraw/zinc/04/99/13/1313049913.db2.gz YQLIEVGOEJOGSJ-CABCVRRESA-N 1 1 334.357 2.980 20 10 EFCDMO CCn1ncc2c1[C@H](COC)C[N@@H+](Cc1ccc(N(C)C)cc1)C2 ZINC001203931209 1313049975 /nfs/dbraw/zinc/04/99/75/1313049975.db2.gz CZNWWJDRGPISPC-KRWDZBQOSA-N 1 1 328.460 2.715 20 10 EFCDMO CN(C)c1ccc(C[N@H+]2CCC[C@@H](NC(=O)c3ccccn3)C2)cc1 ZINC001203936482 1313051119 /nfs/dbraw/zinc/05/11/19/1313051119.db2.gz HCXXIARMCZBEPH-QGZVFWFLSA-N 1 1 338.455 2.542 20 10 EFCDMO COc1ccnc(O[C@@H]2CCC[N@@H+](Cc3ccc(N(C)C)cc3)C2)n1 ZINC001203937173 1313051765 /nfs/dbraw/zinc/05/17/65/1313051765.db2.gz QUIOBZBTVGJSLX-QGZVFWFLSA-N 1 1 342.443 2.595 20 10 EFCDMO CCN(CC)c1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(C)C)cc1 ZINC001203939005 1313051811 /nfs/dbraw/zinc/05/18/11/1313051811.db2.gz INPKXYFYTGCWTP-BWTSREIZSA-N 1 1 329.488 2.735 20 10 EFCDMO CCO[C@@H]1C[C@H]2CN(Cc3ccc(N(CC)CC)cc3)CC[N@H+]2C1 ZINC001203940122 1313051971 /nfs/dbraw/zinc/05/19/71/1313051971.db2.gz VKBZEGGEFPIGKW-VQTJNVASSA-N 1 1 331.504 2.828 20 10 EFCDMO CCN(CC)c1ccc(C[NH+]2CC(N3CCOC(C)(C)C3)C2)cc1 ZINC001203942065 1313052165 /nfs/dbraw/zinc/05/21/65/1313052165.db2.gz KARBOZCFQNHKGJ-UHFFFAOYSA-N 1 1 331.504 2.828 20 10 EFCDMO CCN(CC)c1ccc(C[NH+]2CC(N3C[C@H](C)O[C@@H](C)C3)C2)cc1 ZINC001203945856 1313053090 /nfs/dbraw/zinc/05/30/90/1313053090.db2.gz OOFYGQLNCYPTSF-IRXDYDNUSA-N 1 1 331.504 2.826 20 10 EFCDMO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2Cc1cc(Cl)cc(F)c1O 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2.989 20 10 EFCDMO CN1CC[C@H]2[C@@H]1CC[N@H+]2Cc1ccc(OCC(F)(F)F)cc1O ZINC001276814621 1315426295 /nfs/dbraw/zinc/42/62/95/1315426295.db2.gz IIUUVNFNNAJYIG-KBPBESRZSA-N 1 1 330.350 2.612 20 10 EFCDMO C[N@@H+]1CC[C@H]2[C@@H]1CCN2Cc1ccc(OCC(F)(F)F)cc1O ZINC001276814621 1315426296 /nfs/dbraw/zinc/42/62/96/1315426296.db2.gz IIUUVNFNNAJYIG-KBPBESRZSA-N 1 1 330.350 2.612 20 10 EFCDMO C[N@H+]1CC[C@H]2[C@@H]1CCN2Cc1ccc(OCC(F)(F)F)cc1O ZINC001276814621 1315426297 /nfs/dbraw/zinc/42/62/97/1315426297.db2.gz IIUUVNFNNAJYIG-KBPBESRZSA-N 1 1 330.350 2.612 20 10 EFCDMO COCCOCN1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C(C)C)cc1O ZINC001276814937 1315433225 /nfs/dbraw/zinc/43/32/25/1315433225.db2.gz MIVFVDCGMUNJCV-KDURUIRLSA-N 1 1 348.487 2.785 20 10 EFCDMO CC1CC(C[N@H+]2CC[C@@H]2CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001039061756 1315434510 /nfs/dbraw/zinc/43/45/10/1315434510.db2.gz UBUVXQUXKQJDCV-SEEARECTSA-N 1 1 343.431 2.699 20 10 EFCDMO CCOc1ccc(C[N@H+]2CC[C@H]3[C@@H]2CCN3C(=O)NC(C)C)c(O)c1 ZINC001276815413 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C[C@@](O)(C[NH2+]C1CCN(Cc2ccccc2O)CC1)c1ccccc1 ZINC001253122128 1315572345 /nfs/dbraw/zinc/57/23/45/1315572345.db2.gz JPYAKOIUARKBRC-OAQYLSRUSA-N 1 1 340.467 2.854 20 10 EFCDMO COc1ccc2c(c1)c1c(n2C)CC[N@@H+](C[C@@H](O)COC(C)(C)C)C1 ZINC001253453346 1315605541 /nfs/dbraw/zinc/60/55/41/1315605541.db2.gz DJUQFEZYZUWCHD-CQSZACIVSA-N 1 1 346.471 2.721 20 10 EFCDMO COc1ccc2c(c1)c1c(n2C)CC[N@H+](C[C@@H](O)COC(C)(C)C)C1 ZINC001253453346 1315605544 /nfs/dbraw/zinc/60/55/44/1315605544.db2.gz DJUQFEZYZUWCHD-CQSZACIVSA-N 1 1 346.471 2.721 20 10 EFCDMO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C1C[C@@H]2CC(=O)C[C@H]2C1 ZINC001254954666 1315764680 /nfs/dbraw/zinc/76/46/80/1315764680.db2.gz TWECFOHSISGYQE-IAGOWNOFSA-N 1 1 328.456 2.713 20 10 EFCDMO CCOC(=O)C1CCC([N@H+]2CCCc3cc(O)c(O)cc3C2)CC1 ZINC001255264367 1315798454 /nfs/dbraw/zinc/79/84/54/1315798454.db2.gz KSNXGJVFEOROOB-UHFFFAOYSA-N 1 1 333.428 2.968 20 10 EFCDMO CCOC(=O)[C@@H]1CCC[C@H]([N@H+]2CCCc3cc(O)c(O)cc3C2)C1 ZINC001255375696 1315812237 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335.444 2.986 20 10 EFCDMO CC[N@H+]1CCC[C@]2(CCN(C(=O)c3ccc(N=NC(N)=O)cc3)C2)C1 ZINC001040545374 1316316486 /nfs/dbraw/zinc/31/64/86/1316316486.db2.gz OJOPYRSOKKOSHX-SFHVURJKSA-N 1 1 343.431 2.797 20 10 EFCDMO Oc1c(C[N@H+]2CC[C@H]3CN(Cc4cn[nH]c4)C[C@H]32)ccc2ccccc21 ZINC001279437300 1317263508 /nfs/dbraw/zinc/26/35/08/1317263508.db2.gz JBIUTLRGRDWCFY-FXAWDEMLSA-N 1 1 348.450 2.975 20 10 EFCDMO O=C(N1CCCC1)N1CC[NH+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001319692050 1328952142 /nfs/dbraw/zinc/95/21/42/1328952142.db2.gz WRTHKLFOKSMFKT-UHFFFAOYSA-N 1 1 342.487 2.620 20 10 EFCDMO CC(C)C(=O)N1CCC[N@@H+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001319695982 1328954210 /nfs/dbraw/zinc/95/42/10/1328954210.db2.gz PAEWZPNNOVIHLD-UHFFFAOYSA-N 1 1 329.488 2.977 20 10 EFCDMO C[C@@H](CS(C)(=O)=O)[N@H+](Cc1ccc(N2CCCC2)cc1)C1CC1 ZINC001319707201 1328956325 /nfs/dbraw/zinc/95/63/25/1328956325.db2.gz LHKXMOYVWCKOSZ-HNNXBMFYSA-N 1 1 336.501 2.684 20 10 EFCDMO C[C@@H](CS(C)(=O)=O)[N@@H+](Cc1ccc(N2CCCC2)cc1)C1CC1 ZINC001319707201 1328956330 /nfs/dbraw/zinc/95/63/30/1328956330.db2.gz LHKXMOYVWCKOSZ-HNNXBMFYSA-N 1 1 336.501 2.684 20 10 EFCDMO C[C@H]1SCC[N@@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)[C@@H]1C ZINC001319712630 1328960358 /nfs/dbraw/zinc/96/03/58/1328960358.db2.gz PTRJIWAOMLUQKG-HUUCEWRRSA-N 1 1 337.508 2.903 20 10 EFCDMO CN1CCN(c2ccc(C[N@H+]3CC[C@H]4OCCC[C@H]4C3)cc2F)CC1 ZINC001319947779 1329042344 /nfs/dbraw/zinc/04/23/44/1329042344.db2.gz DMXSKKFSNYPLJZ-FXAWDEMLSA-N 1 1 347.478 2.578 20 10 EFCDMO Cn1cc([C@@H](O)C[C@@H]2CCC[N@H+]2Cc2c(O)cccc2Cl)cn1 ZINC001319971992 1329046821 /nfs/dbraw/zinc/04/68/21/1329046821.db2.gz CPPVXKCPKUDDTP-GUYCJALGSA-N 1 1 335.835 2.867 20 10 EFCDMO C[NH+]1CCC(NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 ZINC000743645482 1323059179 /nfs/dbraw/zinc/05/91/79/1323059179.db2.gz RXAWJDNEWMXQHL-UHFFFAOYSA-N 1 1 332.448 2.769 20 10 EFCDMO CCOC(=O)C[C@@H]1CCC[N@H+]1Cc1cc(Cl)cc(OC)c1O ZINC001320469522 1329139095 /nfs/dbraw/zinc/13/90/95/1329139095.db2.gz DKJLVBSKQGHKJW-ZDUSSCGKSA-N 1 1 327.808 2.972 20 10 EFCDMO OC[C@H](C[NH2+]Cc1c(O)ccc(Cl)c1F)CC1CCOCC1 ZINC001320935691 1329321722 /nfs/dbraw/zinc/32/17/22/1329321722.db2.gz YYYJEFFCJPMGPH-LBPRGKRZSA-N 1 1 331.815 2.700 20 10 EFCDMO C[C@H](O)C[C@H]1CCCC[N@H+]1Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001322338439 1329448998 /nfs/dbraw/zinc/44/89/98/1329448998.db2.gz KHYPVVCSJTZLMQ-FUHWJXTLSA-N 1 1 349.494 2.703 20 10 EFCDMO C[C@H]1CCSCC[N@H+]1Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001326279279 1329743732 /nfs/dbraw/zinc/74/37/32/1329743732.db2.gz GKFVBCDXNYEMPE-HNNXBMFYSA-N 1 1 337.508 2.905 20 10 EFCDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1Cc1ccc(N2CCCC2)cc1 ZINC001326645212 1330334520 /nfs/dbraw/zinc/33/45/20/1330334520.db2.gz ZFEXOWJBQVRJOZ-GOSISDBHSA-N 1 1 343.515 2.972 20 10 EFCDMO CN1CCN(c2ccc(C[N@H+]3CCSC[C@@H]3C3CC3)cc2F)CC1 ZINC001327953828 1330534118 /nfs/dbraw/zinc/53/41/18/1330534118.db2.gz ZMROLYXLENPVCT-LJQANCHMSA-N 1 1 349.519 2.905 20 10 EFCDMO C[C@@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)[C@H]1CC[NH3+] ZINC001328644442 1330611390 /nfs/dbraw/zinc/61/13/90/1330611390.db2.gz ZDRKVGHUTNWBHN-APWZRJJASA-N 1 1 348.510 2.527 20 10 EFCDMO [O-]c1c(F)cc(Br)cc1C[N@@H+]1CC[C@@](O)(C2CC2)C1 ZINC001331550987 1330851713 /nfs/dbraw/zinc/85/17/13/1330851713.db2.gz YIQDPBZOLCCPPT-AWEZNQCLSA-N 1 1 330.197 2.641 20 10 EFCDMO Nc1ccc(C[N@H+]2CCCN(C(=O)CCc3ccccc3)CC2)cc1 ZINC001336117660 1331437076 /nfs/dbraw/zinc/43/70/76/1331437076.db2.gz PXCZOZQVRDXPDT-UHFFFAOYSA-N 1 1 337.467 2.936 20 10 EFCDMO CN(Cc1ccccc1)C(=O)N1CC[NH+](Cc2ccc(N)cc2)CC1 ZINC001336117008 1331437233 /nfs/dbraw/zinc/43/72/33/1331437233.db2.gz KZJKRYMSUHHLBT-UHFFFAOYSA-N 1 1 338.455 2.638 20 10 EFCDMO Cc1nc(CNCc2ccc(N3CC[NH+](C)CC3)cc2)sc1C ZINC001336254557 1331451722 /nfs/dbraw/zinc/45/17/22/1331451722.db2.gz VGVMMWVEKOVFIA-UHFFFAOYSA-N 1 1 330.501 2.802 20 10 EFCDMO C[NH+](C)[C@H]1CCCC[C@H]1NCc1ccc(N2CCOCC2)c(F)c1 ZINC001338886811 1331753110 /nfs/dbraw/zinc/75/31/10/1331753110.db2.gz IFPWJNFUOUPAIA-MJGOQNOKSA-N 1 1 335.467 2.625 20 10 EFCDMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(C3SC=CC3=O)n2CC)C1 ZINC001340027118 1332129923 /nfs/dbraw/zinc/12/99/23/1332129923.db2.gz XCNMYXHHZHVJJZ-ZDUSSCGKSA-N 1 1 349.504 2.900 20 10 EFCDMO Cn1c(C2SC=CC2=O)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC001341279707 1332248039 /nfs/dbraw/zinc/24/80/39/1332248039.db2.gz HODHHFWFFBTKCA-UHFFFAOYSA-N 1 1 347.488 2.704 20 10 EFCDMO CCCC[N@@H+](CCOC)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001341568543 1332268437 /nfs/dbraw/zinc/26/84/37/1332268437.db2.gz ZFEPOFVEMIWWCC-UHFFFAOYSA-N 1 1 337.483 2.826 20 10 EFCDMO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2Cc1ccc(N2CCCC2)cc1 ZINC001341604225 1332270333 /nfs/dbraw/zinc/27/03/33/1332270333.db2.gz GMLCXCFLKJIDTI-NJYVYQBISA-N 1 1 343.515 2.970 20 10 EFCDMO Nc1ccc(CNC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)cc1 ZINC001342018960 1332295412 /nfs/dbraw/zinc/29/54/12/1332295412.db2.gz CDSCLXHTWCVBNF-SFHVURJKSA-N 1 1 341.480 2.675 20 10 EFCDMO CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1CCCC[N@H+]1C ZINC001349332710 1332939381 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CCC[N@@H+](Cc1cc(Br)ccc1[O-])C[C@H]1CC[NH2+]C1 ZINC001236834342 1118164540 /nfs/dbraw/zinc/16/45/40/1118164540.db2.gz HRZNFHZMDQRQIW-LBPRGKRZSA-N 1 1 327.266 2.976 20 10 EFCDMO CCC[N@H+](Cc1cc(Br)ccc1[O-])C[C@H]1CC[NH2+]C1 ZINC001236834342 1118164541 /nfs/dbraw/zinc/16/45/41/1118164541.db2.gz HRZNFHZMDQRQIW-LBPRGKRZSA-N 1 1 327.266 2.976 20 10 EFCDMO C[C@H]1C[C@H]1C[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2Cc1ccc(N(C)C)cc1 ZINC001272699301 1118278790 /nfs/dbraw/zinc/27/87/90/1118278790.db2.gz GBFANGJASQSWBZ-SMMRIJLZSA-N 1 1 341.499 2.974 20 10 EFCDMO CCC[C@H](OC)C(=O)NCCC1=CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC001089850624 1118320785 /nfs/dbraw/zinc/32/07/85/1118320785.db2.gz FHBRYOVEAKKTDA-KRWDZBQOSA-N 1 1 346.475 2.551 20 10 EFCDMO Cc1cc(N2CC=C(CCNC(=O)CCC(F)F)CC2)nc(C)[nH+]1 ZINC001089851766 1118322051 /nfs/dbraw/zinc/32/20/51/1118322051.db2.gz WWIJSQIWVVDQCG-UHFFFAOYSA-N 1 1 338.402 2.782 20 10 EFCDMO O=c1[nH]cc2[nH]c([NH2+]Cc3cc(Cl)c4cccnc4c3O)ccc1-2 ZINC001168528618 1120254846 /nfs/dbraw/zinc/25/48/46/1120254846.db2.gz WODZOUOVWZTCCG-UHFFFAOYSA-N 1 1 340.770 2.844 20 10 EFCDMO C[C@H]1C[N@@H+](CCCF)CC[C@@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000945219930 1120678572 /nfs/dbraw/zinc/67/85/72/1120678572.db2.gz DQRCOSKGIJEBOW-WFASDCNBSA-N 1 1 349.410 2.649 20 10 EFCDMO C[C@H]1C[N@@H+](CC2CC2)CC[C@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000945223765 1120682396 /nfs/dbraw/zinc/68/23/96/1120682396.db2.gz QEYOOODLQRKDOW-BLLLJJGKSA-N 1 1 343.431 2.699 20 10 EFCDMO C[C@@H]1C[N@@H+](CC2CC2)CC[C@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000945223768 1120682465 /nfs/dbraw/zinc/68/24/65/1120682465.db2.gz QEYOOODLQRKDOW-MLGOLLRUSA-N 1 1 343.431 2.699 20 10 EFCDMO CC(C)C[N@H+]1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)[C@@H](C)C1 ZINC000945227313 1120685328 /nfs/dbraw/zinc/68/53/28/1120685328.db2.gz XYHGHZFZFXMQQO-BBRMVZONSA-N 1 1 345.447 2.945 20 10 EFCDMO C[C@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)C1=CC[N@@H+](C)CC1 ZINC000272759801 299165790 /nfs/dbraw/zinc/16/57/90/299165790.db2.gz OQZGLMODROAAKX-INIZCTEOSA-N 1 1 340.471 2.512 20 10 EFCDMO Oc1ccc2ccccc2c1C[N@H+]1CCC[C@H]1CN1CCOCC1 ZINC000173371085 239188790 /nfs/dbraw/zinc/18/87/90/239188790.db2.gz IFJSLJOFBGSABT-KRWDZBQOSA-N 1 1 326.440 2.842 20 10 EFCDMO Oc1ccc2ccccc2c1C[N@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000172935495 239176699 /nfs/dbraw/zinc/17/66/99/239176699.db2.gz JLNPPQCQTQDAJL-MRXNPFEDSA-N 1 1 326.440 2.700 20 10 EFCDMO Cc1ccc(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c(O)c1O ZINC000177685143 239389006 /nfs/dbraw/zinc/38/90/06/239389006.db2.gz APQXZTTYXCCMQL-OAHLLOKOSA-N 1 1 340.423 2.753 20 10 EFCDMO Cc1ccc(C(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)c(O)c1O ZINC000177685143 239389013 /nfs/dbraw/zinc/38/90/13/239389013.db2.gz APQXZTTYXCCMQL-OAHLLOKOSA-N 1 1 340.423 2.753 20 10 EFCDMO Cc1cc(C(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)c(C)n1-c1ccccn1 ZINC000177183968 239362348 /nfs/dbraw/zinc/36/23/48/239362348.db2.gz MSJVUTJOPOCVGY-CZUORRHYSA-N 1 1 338.455 2.844 20 10 EFCDMO C[C@H]1CC[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)CCS1 ZINC000192169483 240027974 /nfs/dbraw/zinc/02/79/74/240027974.db2.gz MTYYCJXWWCLRSN-HNNXBMFYSA-N 1 1 335.517 2.538 20 10 EFCDMO CCOc1cccc(C[N@@H+]2CCSC[C@@H]2c2cnn(C)c2)c1O ZINC000191750476 240005953 /nfs/dbraw/zinc/00/59/53/240005953.db2.gz ZTUJUJBAXJEKDB-OAHLLOKOSA-N 1 1 333.457 2.815 20 10 EFCDMO CCOc1cccc(C[N@H+]2CCSC[C@@H]2c2cnn(C)c2)c1O ZINC000191750476 240005962 /nfs/dbraw/zinc/00/59/62/240005962.db2.gz ZTUJUJBAXJEKDB-OAHLLOKOSA-N 1 1 333.457 2.815 20 10 EFCDMO Cc1ccc(C)n1-c1ccsc1C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000192507036 240049193 /nfs/dbraw/zinc/04/91/93/240049193.db2.gz BCMRNZBTEPKTRN-GASCZTMLSA-N 1 1 329.469 2.789 20 10 EFCDMO CN(C(=O)c1cccc(O)c1O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000193118291 240087388 /nfs/dbraw/zinc/08/73/88/240087388.db2.gz AWAMQRGMUXOSJP-INIZCTEOSA-N 1 1 340.423 2.834 20 10 EFCDMO C[C@@H]([NH2+]CCNC(=O)c1ccn[nH]1)c1cc(Cl)c(Cl)cc1O ZINC000193274982 240092797 /nfs/dbraw/zinc/09/27/97/240092797.db2.gz UHOQSTYPWSUXOS-MRVPVSSYSA-N 1 1 343.214 2.503 20 10 EFCDMO Cc1ccc(N2CCC(C(=O)N(C)Cc3ccccc3O)CC2)[nH+]c1 ZINC000194169565 240144392 /nfs/dbraw/zinc/14/43/92/240144392.db2.gz UIPBMYNOZQDJCS-UHFFFAOYSA-N 1 1 339.439 2.971 20 10 EFCDMO CCN1CCN(c2ccc(C[NH2+]C[C@H]3CCC=CO3)cc2F)CC1 ZINC000194399470 240153729 /nfs/dbraw/zinc/15/37/29/240153729.db2.gz VVKVDDSUNWVMQQ-QGZVFWFLSA-N 1 1 333.451 2.750 20 10 EFCDMO C[C@@H](c1ccc(NC(=O)Cc2ccc(N)cc2)cc1)[NH+]1CCOCC1 ZINC000237475364 240244591 /nfs/dbraw/zinc/24/45/91/240244591.db2.gz TWBOBDVNIJCNBA-HNNXBMFYSA-N 1 1 339.439 2.843 20 10 EFCDMO C[C@@H]1C[C@@H](NC(=O)Cc2ccc(N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000237567897 240245627 /nfs/dbraw/zinc/24/56/27/240245627.db2.gz UHUAYPXFHPSREA-UZLBHIALSA-N 1 1 337.467 2.981 20 10 EFCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@H](CCO)c2ccccc2)c1 ZINC000273620606 240709041 /nfs/dbraw/zinc/70/90/41/240709041.db2.gz YWEXVSJDIYOVMP-CXAGYDPISA-N 1 1 329.396 2.953 20 10 EFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H](C)COCC(F)(F)F)c1 ZINC000273619896 240709216 /nfs/dbraw/zinc/70/92/16/240709216.db2.gz YRLNWURKGXKRNR-ZJUUUORDSA-N 1 1 335.322 2.797 20 10 EFCDMO CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@](CO)(c3ccccc3)C2)c1O ZINC000291638669 241025719 /nfs/dbraw/zinc/02/57/19/241025719.db2.gz DPVFJZUYJHIXJJ-HXUWFJFHSA-N 1 1 343.398 2.870 20 10 EFCDMO Cc1ccc(O)c(C[N@H+]2CCC[C@H](CNC(=O)C(F)(F)F)C2)c1 ZINC000291624252 241026858 /nfs/dbraw/zinc/02/68/58/241026858.db2.gz RUUVGLOVZKAFHI-GFCCVEGCSA-N 1 1 330.350 2.591 20 10 EFCDMO Oc1cccc2c1[C@H]([NH2+]C1CCN([C@H]3CCCC[C@@H]3O)CC1)CC2 ZINC000296245754 241078371 /nfs/dbraw/zinc/07/83/71/241078371.db2.gz AYYQGYWWJRBPLI-SQNIBIBYSA-N 1 1 330.472 2.737 20 10 EFCDMO CN(C)c1ccc(CN(C)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000298697270 241155056 /nfs/dbraw/zinc/15/50/56/241155056.db2.gz CVDJLDQFOJZEOX-MSOLQXFVSA-N 1 1 330.476 2.521 20 10 EFCDMO Cc1cc(C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)c(C)n1-c1ccccn1 ZINC000363036904 242270870 /nfs/dbraw/zinc/27/08/70/242270870.db2.gz SYEXVZAZWLBFHH-QGZVFWFLSA-N 1 1 338.455 2.799 20 10 EFCDMO C[C@H](N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000364452034 242299200 /nfs/dbraw/zinc/29/92/00/242299200.db2.gz WBCRJDMCGQRUEN-RYQLBKOJSA-N 1 1 347.478 2.940 20 10 EFCDMO C[C@H](N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000364452034 242299205 /nfs/dbraw/zinc/29/92/05/242299205.db2.gz WBCRJDMCGQRUEN-RYQLBKOJSA-N 1 1 347.478 2.940 20 10 EFCDMO CN1CC[NH+](CC2CC[NH+](Cc3cc(Cl)ccc3[O-])CC2)CC1 ZINC000367672326 242388603 /nfs/dbraw/zinc/38/86/03/242388603.db2.gz RJKKLGUNPVBVBD-UHFFFAOYSA-N 1 1 337.895 2.505 20 10 EFCDMO C[C@@H]([NH2+][C@@H](C)CN1CCN(C)CC1)c1cc2c(cc1O)CCCC2 ZINC000185392655 296146561 /nfs/dbraw/zinc/14/65/61/296146561.db2.gz FFIXQNQELFHQOX-JKSUJKDBSA-N 1 1 331.504 2.558 20 10 EFCDMO COc1cccc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)n1 ZINC000172536799 533475182 /nfs/dbraw/zinc/47/51/82/533475182.db2.gz ITUUQCIXJKRMKT-KRWDZBQOSA-N 1 1 328.412 2.977 20 10 EFCDMO COc1ccc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)cn1 ZINC000085795060 544512997 /nfs/dbraw/zinc/51/29/97/544512997.db2.gz ALTRSJTWHQRYOP-KRWDZBQOSA-N 1 1 328.412 2.977 20 10 EFCDMO COc1cc([N+](=O)[O-])c(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)cc1OC ZINC000292288023 295027134 /nfs/dbraw/zinc/02/71/34/295027134.db2.gz MVBBLGAGDYRYCR-CYBMUJFWSA-N 1 1 349.431 2.923 20 10 EFCDMO CN(C)c1ccc(CNC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1F ZINC000137987798 473214649 /nfs/dbraw/zinc/21/46/49/473214649.db2.gz YIZWWKITFNBGJH-RDJZCZTQSA-N 1 1 348.466 2.517 20 10 EFCDMO CN(C)c1ccc(CNC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1F ZINC000137987902 473214803 /nfs/dbraw/zinc/21/48/03/473214803.db2.gz YIZWWKITFNBGJH-WBVHZDCISA-N 1 1 348.466 2.517 20 10 EFCDMO CC[N@@H+](CCC1OCCO1)Cc1cc(Br)ccc1O ZINC000124494295 473252980 /nfs/dbraw/zinc/25/29/80/473252980.db2.gz DFOUVIKBDGSBBN-UHFFFAOYSA-N 1 1 330.222 2.740 20 10 EFCDMO C[C@H]([NH2+]Cc1ccnc(N2CCN(C)CC2)c1)c1cc(F)ccc1O ZINC000185042447 473310332 /nfs/dbraw/zinc/31/03/32/473310332.db2.gz GRMIIIRGLCSDRI-AWEZNQCLSA-N 1 1 344.434 2.529 20 10 EFCDMO CC[C@H]([NH2+]Cc1ccc(N2CCN(C)CC2)nc1)c1ccccc1O ZINC000185207519 473362200 /nfs/dbraw/zinc/36/22/00/473362200.db2.gz HNKUPORFZMENNH-SFHVURJKSA-N 1 1 340.471 2.780 20 10 EFCDMO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000024799040 472068314 /nfs/dbraw/zinc/06/83/14/472068314.db2.gz KCVBXJCBTSDYTG-CQSZACIVSA-N 1 1 343.393 2.643 20 10 EFCDMO CN(C)c1ccc(CNC(=O)C[N@H+]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000024799040 472068321 /nfs/dbraw/zinc/06/83/21/472068321.db2.gz KCVBXJCBTSDYTG-CQSZACIVSA-N 1 1 343.393 2.643 20 10 EFCDMO CCC[N@H+]1CC[C@@H](CNC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000054510147 472094113 /nfs/dbraw/zinc/09/41/13/472094113.db2.gz LMPJLLIKXAENGA-KRWDZBQOSA-N 1 1 332.492 2.626 20 10 EFCDMO CN(C)c1ccc(CNC(=O)NC[C@@H](c2ccco2)[NH+](C)C)cc1F ZINC000057647882 472458763 /nfs/dbraw/zinc/45/87/63/472458763.db2.gz WOLQVIJYTPZZON-INIZCTEOSA-N 1 1 348.422 2.587 20 10 EFCDMO C[C@H]1SCC[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)[C@@H]1C ZINC000118533869 472498143 /nfs/dbraw/zinc/49/81/43/472498143.db2.gz RUVCCAXCIAVGAT-HUUCEWRRSA-N 1 1 335.517 2.537 20 10 EFCDMO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H](Cn3ccnn3)C2)c1O ZINC000119294777 472543172 /nfs/dbraw/zinc/54/31/72/472543172.db2.gz MKLDVSRRBGKIQM-CYBMUJFWSA-N 1 1 348.834 2.752 20 10 EFCDMO CCN(Cc1ccc(N(C)C)cc1)C(=O)NCC[N@@H+](CC)C1CC1 ZINC000102068292 472564718 /nfs/dbraw/zinc/56/47/18/472564718.db2.gz MIQHISBGSYWOPH-UHFFFAOYSA-N 1 1 332.492 2.768 20 10 EFCDMO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000129881325 472570393 /nfs/dbraw/zinc/57/03/93/472570393.db2.gz FPLLZXXWBVFYEF-DOTOQJQBSA-N 1 1 344.503 2.909 20 10 EFCDMO COc1ccc(O)c(C[N@H+]2CCc3cc(OC)c(OC)cc3C2)c1 ZINC000155972474 472648815 /nfs/dbraw/zinc/64/88/15/472648815.db2.gz APKGLAWEOVMGOQ-UHFFFAOYSA-N 1 1 329.396 2.976 20 10 EFCDMO C[C@@H](NC[C@H](C)[N@H+](C)C1CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000131145843 472652699 /nfs/dbraw/zinc/65/26/99/472652699.db2.gz MLYVKAKRHMZYES-LSDHHAIUSA-N 1 1 335.467 2.796 20 10 EFCDMO C[C@@H](NC[C@H](C)[N@@H+](C)C1CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000131145843 472652703 /nfs/dbraw/zinc/65/27/03/472652703.db2.gz MLYVKAKRHMZYES-LSDHHAIUSA-N 1 1 335.467 2.796 20 10 EFCDMO CC[N@@H+](CC[C@@H]1CCOC1=O)Cc1cc(Br)ccc1O ZINC000120783754 472746803 /nfs/dbraw/zinc/74/68/03/472746803.db2.gz PLQADSXKUCXNMB-LLVKDONJSA-N 1 1 342.233 2.930 20 10 EFCDMO CC[N@@H+](Cc1ccc(C(=O)N(C)C)[nH]1)Cc1ccc(N(C)C)cc1 ZINC000156838780 472758938 /nfs/dbraw/zinc/75/89/38/472758938.db2.gz JHBMZXNIHRDNAS-UHFFFAOYSA-N 1 1 328.460 2.805 20 10 EFCDMO COc1ccc(OC)c2c1C[N@@H+](Cc1cc(C)ccc1O)C[C@H]2O ZINC000121116300 472800492 /nfs/dbraw/zinc/80/04/92/472800492.db2.gz AJNNKMDKSXSESY-MRXNPFEDSA-N 1 1 329.396 2.767 20 10 EFCDMO CCOc1cccc(C[NH+]2CCN(Cc3c(C)noc3C)CC2)c1O ZINC000091890578 472821994 /nfs/dbraw/zinc/82/19/94/472821994.db2.gz UPPOKFDOFIUVSU-UHFFFAOYSA-N 1 1 345.443 2.714 20 10 EFCDMO COc1cccc(C[N@H+]2CCCN(C(=O)c3ccccc3)CC2)c1O ZINC000121246383 472822372 /nfs/dbraw/zinc/82/23/72/472822372.db2.gz 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EFCDMO CCN(CC)c1ccc(CN2CCC([N@@H+](C)CCCO)CC2)cc1 ZINC000093413010 473104020 /nfs/dbraw/zinc/10/40/20/473104020.db2.gz KTECMXFSCIEACT-UHFFFAOYSA-N 1 1 333.520 2.811 20 10 EFCDMO C[C@H]([C@H](C)S(C)(=O)=O)[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000093420241 473105440 /nfs/dbraw/zinc/10/54/40/473105440.db2.gz PNXIDVZJYBOPIB-CVEARBPZSA-N 1 1 338.517 2.930 20 10 EFCDMO C[C@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000093420241 473105448 /nfs/dbraw/zinc/10/54/48/473105448.db2.gz PNXIDVZJYBOPIB-CVEARBPZSA-N 1 1 338.517 2.930 20 10 EFCDMO COc1ccc(N2CCC[N@H+]([C@H](C)C(=O)N3CCCCC3)CC2)cc1 ZINC000052465938 473109771 /nfs/dbraw/zinc/10/97/71/473109771.db2.gz AACLWMCKYCBAQU-QGZVFWFLSA-N 1 1 345.487 2.608 20 10 EFCDMO CCCCNC(=O)[C@@H](C)[N@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000052466715 473111832 /nfs/dbraw/zinc/11/18/32/473111832.db2.gz CWDKKMBRFZFRJS-MRXNPFEDSA-N 1 1 333.476 2.512 20 10 EFCDMO COc1cc(O)c(C[N@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)cc1OC ZINC000160405114 473118262 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CCN(Cc1cc(Br)ccc1O)C(=O)C[N@@H+](C)C(C)C ZINC000075416818 473184375 /nfs/dbraw/zinc/18/43/75/473184375.db2.gz SLNCRQRLWDHDNZ-UHFFFAOYSA-N 1 1 343.265 2.843 20 10 EFCDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2O)c(OC)c1 ZINC000111235633 473197766 /nfs/dbraw/zinc/19/77/66/473197766.db2.gz OULTVLPUHVVVEF-CYBMUJFWSA-N 1 1 344.411 2.868 20 10 EFCDMO C[C@@H](C(=O)N[C@H]1CCOc2ccccc21)[N@@H+](C)Cc1ccccc1O ZINC000111235639 473197996 /nfs/dbraw/zinc/19/79/96/473197996.db2.gz VJPQWCXKQHAQJE-YOEHRIQHSA-N 1 1 340.423 2.853 20 10 EFCDMO C[C@@H](C[NH2+][C@@H](C)c1ccc2ccccc2c1O)N1CCN(C)CC1 ZINC000185364504 473407095 /nfs/dbraw/zinc/40/70/95/473407095.db2.gz AIVOLFJFRGBWGR-HOTGVXAUSA-N 1 1 327.472 2.832 20 10 EFCDMO COc1ccccc1N1CC[C@H]([N@@H+](C)Cc2ccccc2O)C1=O ZINC000151257247 473432840 /nfs/dbraw/zinc/43/28/40/473432840.db2.gz NRQJWFQCCVXRFH-INIZCTEOSA-N 1 1 326.396 2.638 20 10 EFCDMO CC[N@@H+]1CC[C@@H](NCc2ccc(N3CCC(O)CC3)c(F)c2)[C@H](C)C1 ZINC000151526524 473469655 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EFCDMO C[C@@H]1C[C@H](NC(=O)NCc2c(O)ccc3c2CCCC3)C[N@H+]1C1CC1 ZINC000127564330 473626752 /nfs/dbraw/zinc/62/67/52/473626752.db2.gz OMQYQJCCZBMWKW-HIFRSBDPSA-N 1 1 343.471 2.695 20 10 EFCDMO CC[C@H]([NH2+][C@@H](C)CCN1CCN(C)CC1)c1ccc(N(C)C)cc1 ZINC000186580098 473693015 /nfs/dbraw/zinc/69/30/15/473693015.db2.gz BIQHTTMZIILWRG-PXNSSMCTSA-N 1 1 332.536 2.819 20 10 EFCDMO CC[N@H+](CC(=O)Nc1cccc(OC)c1)Cc1cc(OC)ccc1O ZINC000179564275 473694616 /nfs/dbraw/zinc/69/46/16/473694616.db2.gz RKEHHDQJYIFADH-UHFFFAOYSA-N 1 1 344.411 2.870 20 10 EFCDMO CC[N@@H+](CC(=O)Nc1cccc(OC)c1)Cc1cc(OC)ccc1O ZINC000179564275 473694622 /nfs/dbraw/zinc/69/46/22/473694622.db2.gz RKEHHDQJYIFADH-UHFFFAOYSA-N 1 1 344.411 2.870 20 10 EFCDMO O=C(c1cc2ccccc2[nH]1)N1CC[NH+](Cc2ccccc2O)CC1 ZINC000179567474 473695916 /nfs/dbraw/zinc/69/59/16/473695916.db2.gz NAPBOXIGCHISRT-UHFFFAOYSA-N 1 1 335.407 2.832 20 10 EFCDMO COc1ccc(OC)c2c1C[N@@H+](Cc1cccc(C)c1O)C[C@@H]2O ZINC000179613952 473698609 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C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc(F)c(F)c1[O-] ZINC000187700783 473906696 /nfs/dbraw/zinc/90/66/96/473906696.db2.gz FMXAWWHUPADHDE-ZDUSSCGKSA-N 1 1 341.446 2.595 20 10 EFCDMO C[N@@H+]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](c2ccccc2)C1 ZINC000180618855 473921474 /nfs/dbraw/zinc/92/14/74/473921474.db2.gz AUSLKQMTCAITDO-SYJIQKIWSA-N 1 1 338.407 2.626 20 10 EFCDMO C[N@H+]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](c2ccccc2)C1 ZINC000180618855 473921480 /nfs/dbraw/zinc/92/14/80/473921480.db2.gz AUSLKQMTCAITDO-SYJIQKIWSA-N 1 1 338.407 2.626 20 10 EFCDMO CC[N@H+](Cc1cc(Br)ccc1O)C[C@@H](O)CSC ZINC000187912293 473941108 /nfs/dbraw/zinc/94/11/08/473941108.db2.gz WERQQPLIJPYIMZ-GFCCVEGCSA-N 1 1 334.279 2.701 20 10 EFCDMO COC(=O)[C@H]1CC[N@@H+](Cc2cc(Cl)cc(OC)c2O)C[C@H]1C ZINC000188109508 473985293 /nfs/dbraw/zinc/98/52/93/473985293.db2.gz JNXMCGNWZLHKCN-MFKMUULPSA-N 1 1 327.808 2.685 20 10 EFCDMO CN(CC[N@@H+](C)C1CCCCC1)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180988519 473996857 /nfs/dbraw/zinc/99/68/57/473996857.db2.gz XHJFSYJPICMDJK-PKNBQFBNSA-N 1 1 332.444 2.834 20 10 EFCDMO O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000181109905 474006552 /nfs/dbraw/zinc/00/65/52/474006552.db2.gz HVSSEJVMVAQGLK-VQHVLOKHSA-N 1 1 330.428 2.588 20 10 EFCDMO COC(=O)c1ccoc1C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000264604555 474055490 /nfs/dbraw/zinc/05/54/90/474055490.db2.gz LDPFLXSMMLYYJF-HNNXBMFYSA-N 1 1 345.395 2.953 20 10 EFCDMO COC(=O)c1ccoc1C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000264604555 474055497 /nfs/dbraw/zinc/05/54/97/474055497.db2.gz LDPFLXSMMLYYJF-HNNXBMFYSA-N 1 1 345.395 2.953 20 10 EFCDMO Cc1cc(C)n(CC[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)n1 ZINC000264612031 474058753 /nfs/dbraw/zinc/05/87/53/474058753.db2.gz NZXZBBQMFZNYEP-GOSISDBHSA-N 1 1 329.444 2.887 20 10 EFCDMO CCCC[N@@H+](Cc1ccccc1O)[C@@H](C)C(=O)NC[C@H]1CCCO1 ZINC000282445794 474068785 /nfs/dbraw/zinc/06/87/85/474068785.db2.gz LIRNGQLMDACPLJ-DOTOQJQBSA-N 1 1 334.460 2.678 20 10 EFCDMO C[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1cc(Cl)ccc1[O-] ZINC000282507618 474091816 /nfs/dbraw/zinc/09/18/16/474091816.db2.gz YOXMATNNFPABKY-CYBMUJFWSA-N 1 1 325.884 2.722 20 10 EFCDMO C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cc(Cl)ccc1[O-] ZINC000282507618 474091821 /nfs/dbraw/zinc/09/18/21/474091821.db2.gz YOXMATNNFPABKY-CYBMUJFWSA-N 1 1 325.884 2.722 20 10 EFCDMO C[C@@H](CNC(=O)NCc1ccccc1O)[N@@H+](C)Cc1ccccc1 ZINC000264803710 474133191 /nfs/dbraw/zinc/13/31/91/474133191.db2.gz UPEBAWIXASKELC-HNNXBMFYSA-N 1 1 327.428 2.712 20 10 EFCDMO CCCOc1ccc(C[N@@H+]2C[C@H](C)[S@](=O)[C@@H](CC)C2)c(O)c1 ZINC000289209964 474184602 /nfs/dbraw/zinc/18/46/02/474184602.db2.gz BXUKXTXYTHNMBQ-ODIUBACGSA-N 1 1 325.474 2.912 20 10 EFCDMO C[C@@H]1C[C@H](N2CCOCC2)C[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000289591412 474336321 /nfs/dbraw/zinc/33/63/21/474336321.db2.gz KLSSOHRVOAKAAG-NQIIRXRSSA-N 1 1 343.515 2.972 20 10 EFCDMO CCCN(Cc1ccccc1O)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC000289629559 474353021 /nfs/dbraw/zinc/35/30/21/474353021.db2.gz CAEAORRWIWWLMK-HNNXBMFYSA-N 1 1 327.428 2.898 20 10 EFCDMO Cc1cc(C(=O)N2CC[N@H+](C)CC2(C)C)c(C)n1-c1ccccn1 ZINC000271012209 474367476 /nfs/dbraw/zinc/36/74/76/474367476.db2.gz HVQYDVFHZVJNKH-UHFFFAOYSA-N 1 1 326.444 2.655 20 10 EFCDMO COc1cccc(C[NH+]2CCN(CCc3cccs3)CC2)c1O ZINC000271084916 474401481 /nfs/dbraw/zinc/40/14/81/474401481.db2.gz SPZNPVOUOQQZBA-UHFFFAOYSA-N 1 1 332.469 2.823 20 10 EFCDMO COc1cc(O)c(C[N@@H+]2CCO[C@@H](c3ccccc3)C2)cc1OC ZINC000271110747 474401647 /nfs/dbraw/zinc/40/16/47/474401647.db2.gz UCKORMHTFDFBGV-LJQANCHMSA-N 1 1 329.396 2.983 20 10 EFCDMO COc1cc(O)c(C[N@H+]2CCO[C@@H](c3ccccc3)C2)cc1OC ZINC000271110747 474401655 /nfs/dbraw/zinc/40/16/55/474401655.db2.gz UCKORMHTFDFBGV-LJQANCHMSA-N 1 1 329.396 2.983 20 10 EFCDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccc(N2CCCCC2)cc1 ZINC000176198443 474406766 /nfs/dbraw/zinc/40/67/66/474406766.db2.gz YFGLMHYWQHCEGD-UHFFFAOYSA-N 1 1 343.431 2.914 20 10 EFCDMO Cc1nc2sccn2c1C[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000271172412 474420680 /nfs/dbraw/zinc/42/06/80/474420680.db2.gz VSYPYXGNZDPAGJ-UHFFFAOYSA-N 1 1 331.397 2.771 20 10 EFCDMO CC(=O)N1CC[NH+](Cc2cccc(NCc3ccccc3O)c2)CC1 ZINC000189519284 474429875 /nfs/dbraw/zinc/42/98/75/474429875.db2.gz ZGKAMOFYEFKKMB-UHFFFAOYSA-N 1 1 339.439 2.668 20 10 EFCDMO C[C@H](O)c1ncc(C[NH2+]Cc2cccc(Br)c2O)s1 ZINC000289809463 474436882 /nfs/dbraw/zinc/43/68/82/474436882.db2.gz SRGWTEIRNGZSRT-QMMMGPOBSA-N 1 1 343.246 2.954 20 10 EFCDMO CCCCN(Cc1ccccc1O)C(=O)NCCn1cc[nH+]c1C ZINC000283663779 474462423 /nfs/dbraw/zinc/46/24/23/474462423.db2.gz LEFGKJNTNLBVRV-UHFFFAOYSA-N 1 1 330.432 2.909 20 10 EFCDMO CCOCc1cc(C[NH2+]Cc2ncccc2N(C)C)ccc1OC ZINC000289983135 474514151 /nfs/dbraw/zinc/51/41/51/474514151.db2.gz ZWAJZWUZBMSFHN-UHFFFAOYSA-N 1 1 329.444 2.983 20 10 EFCDMO O=C1CCCN1[C@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000276818102 474572402 /nfs/dbraw/zinc/57/24/02/474572402.db2.gz OZWQXWNWRADNCT-IBGZPJMESA-N 1 1 327.472 2.874 20 10 EFCDMO CC[C@@H](C)c1nnc([C@@H](C)[NH2+]Cc2cc(OC)c(OC)cc2O)[nH]1 ZINC000276829221 474572456 /nfs/dbraw/zinc/57/24/56/474572456.db2.gz BIIZNMFGFPTLDL-GHMZBOCLSA-N 1 1 334.420 2.892 20 10 EFCDMO C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000290563536 474577636 /nfs/dbraw/zinc/57/76/36/474577636.db2.gz SLYMRRFAMWQAKP-GWCFXTLKSA-N 1 1 327.812 2.726 20 10 EFCDMO C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000290563536 474577639 /nfs/dbraw/zinc/57/76/39/474577639.db2.gz SLYMRRFAMWQAKP-GWCFXTLKSA-N 1 1 327.812 2.726 20 10 EFCDMO C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000290563536 474577642 /nfs/dbraw/zinc/57/76/42/474577642.db2.gz SLYMRRFAMWQAKP-GWCFXTLKSA-N 1 1 327.812 2.726 20 10 EFCDMO C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000290563536 474577647 /nfs/dbraw/zinc/57/76/47/474577647.db2.gz SLYMRRFAMWQAKP-GWCFXTLKSA-N 1 1 327.812 2.726 20 10 EFCDMO CCOC(=O)N1CCC[N@H+](Cc2cc(Cl)cc(OC)c2O)CC1 ZINC000184685284 474583819 /nfs/dbraw/zinc/58/38/19/474583819.db2.gz FHDODAFHPFVEJX-UHFFFAOYSA-N 1 1 342.823 2.718 20 10 EFCDMO CCOC(=O)N1CCC[N@@H+](Cc2cc(Cl)cc(OC)c2O)CC1 ZINC000184685284 474583825 /nfs/dbraw/zinc/58/38/25/474583825.db2.gz FHDODAFHPFVEJX-UHFFFAOYSA-N 1 1 342.823 2.718 20 10 EFCDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@H](Cn3ccnn3)C2)c1O ZINC000184703493 474590005 /nfs/dbraw/zinc/59/00/05/474590005.db2.gz VBNHXUAXDMRNCX-LBPRGKRZSA-N 1 1 336.823 2.558 20 10 EFCDMO Cc1cc(O)c(C[N@H+]2CCC[C@H](CNC(=O)C(F)(F)F)C2)cc1C ZINC000290999786 474590165 /nfs/dbraw/zinc/59/01/65/474590165.db2.gz ASTVDDFDZQYBDK-CYBMUJFWSA-N 1 1 344.377 2.900 20 10 EFCDMO COc1cc(C[N@@H+](C)Cc2cc(OC)c(OC)cc2O)ccc1O ZINC000271843322 474595709 /nfs/dbraw/zinc/59/57/09/474595709.db2.gz UDUKMEWCDFDBBM-UHFFFAOYSA-N 1 1 333.384 2.756 20 10 EFCDMO CCN(CC)c1ccc(CNC(=O)NCC2=CC[N@@H+](C)CC2)cc1F ZINC000272115518 474602251 /nfs/dbraw/zinc/60/22/51/474602251.db2.gz RPWZPLDDRDJYPE-UHFFFAOYSA-N 1 1 348.466 2.733 20 10 EFCDMO COc1c(O)c(CN(C)CC[C@H]2CCCC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000278202714 474604059 /nfs/dbraw/zinc/60/40/59/474604059.db2.gz JIWJMPPAMCSUEL-CQSZACIVSA-N 1 1 337.420 2.615 20 10 EFCDMO C[C@@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)c1cc(Cl)c(Cl)cc1O ZINC000278271325 474605301 /nfs/dbraw/zinc/60/53/01/474605301.db2.gz PCLPQQGXCJNMNL-BDAKNGLRSA-N 1 1 338.256 2.784 20 10 EFCDMO COc1c(O)c(C[NH2+]C[C@@H]2CCCO[C@@H]2C(C)C)ccc1[N+](=O)[O-] ZINC000278307000 474606802 /nfs/dbraw/zinc/60/68/02/474606802.db2.gz DKUHXHNNUGGNKZ-XJKSGUPXSA-N 1 1 338.404 2.850 20 10 EFCDMO OC[C@@H](C1CC1)[N@@H+](Cc1ccccc1)Cc1cc2c(cc1O)OCO2 ZINC000184786562 474607940 /nfs/dbraw/zinc/60/79/40/474607940.db2.gz SRDKTWSCNOERAI-KRWDZBQOSA-N 1 1 341.407 2.894 20 10 EFCDMO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H](C(C)C)N2CCN(C)CC2)c(O)c1 ZINC000284279393 474609065 /nfs/dbraw/zinc/60/90/65/474609065.db2.gz XHNXNCSDKMMCCQ-MSOLQXFVSA-N 1 1 333.520 2.932 20 10 EFCDMO COCC[N@@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278328179 474610889 /nfs/dbraw/zinc/61/08/89/474610889.db2.gz YYJZJNVPTGBQPR-UHFFFAOYSA-N 1 1 346.383 2.958 20 10 EFCDMO CCN(CC)c1ccc(CNC(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)cc1 ZINC000272440358 474612373 /nfs/dbraw/zinc/61/23/73/474612373.db2.gz KZCFLXMQZNTXBH-PKOBYXMFSA-N 1 1 344.503 2.768 20 10 EFCDMO COc1cc(O)c(C[N@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)cc1OC ZINC000278438563 474644377 /nfs/dbraw/zinc/64/43/77/474644377.db2.gz VILXSHYYANXJLP-MEBBXXQBSA-N 1 1 349.349 2.545 20 10 EFCDMO COc1c(O)c(C[NH2+]C[C@@H](c2ccccc2)N(C)C)ccc1[N+](=O)[O-] ZINC000278510711 474671295 /nfs/dbraw/zinc/67/12/95/474671295.db2.gz PRXRRZKWGWWDTG-INIZCTEOSA-N 1 1 345.399 2.702 20 10 EFCDMO COc1c(O)c(C[NH2+]C[C@H](C)N2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000278558275 474701242 /nfs/dbraw/zinc/70/12/42/474701242.db2.gz BAJSXUQYCXUOIC-STQMWFEESA-N 1 1 337.420 2.519 20 10 EFCDMO C[C@H]([NH2+][C@@H](CO)c1cnn(C)c1)c1cc(Cl)c(Cl)cc1O ZINC000278675529 474770011 /nfs/dbraw/zinc/77/00/11/474770011.db2.gz JMTCZLAHIYTGOB-SDBXPKJASA-N 1 1 330.215 2.817 20 10 EFCDMO C[C@@H]1C[C@@H](NC(=O)NCc2ccccc2O)C[N@H+]1Cc1ccccc1 ZINC000268119846 474809506 /nfs/dbraw/zinc/80/95/06/474809506.db2.gz MCAGSICWWIKHRW-CRAIPNDOSA-N 1 1 339.439 2.854 20 10 EFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@]2(O)CCc3ccccc32)c1 ZINC000273355817 474856769 /nfs/dbraw/zinc/85/67/69/474856769.db2.gz CRASDUCXKZBZSD-RNODOKPDSA-N 1 1 341.407 2.663 20 10 EFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C2CCC3(CC2)OCCO3)c1 ZINC000273365847 474861824 /nfs/dbraw/zinc/86/18/24/474861824.db2.gz FADWZZDTPYDFHN-LBPRGKRZSA-N 1 1 335.400 2.515 20 10 EFCDMO COc1c(O)c(C[NH2+]C[C@H](C)N(C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000278844768 474868394 /nfs/dbraw/zinc/86/83/94/474868394.db2.gz KLOQKKYXYKWVDV-ZDUSSCGKSA-N 1 1 345.399 2.924 20 10 EFCDMO CCNC(=O)COc1cccc(C[NH2+][C@@H](C)c2ccc(F)cc2O)c1 ZINC000273382813 474872496 /nfs/dbraw/zinc/87/24/96/474872496.db2.gz IRSKQMUEJJXAOV-ZDUSSCGKSA-N 1 1 346.402 2.897 20 10 EFCDMO COc1c(O)c(C[NH2+]Cc2ccc([C@@H](C)O)cc2)ccc1[N+](=O)[O-] ZINC000278863241 474880441 /nfs/dbraw/zinc/88/04/41/474880441.db2.gz MDHZJWNKDTYZMD-LLVKDONJSA-N 1 1 332.356 2.652 20 10 EFCDMO Cc1cc(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)c(C)n1-c1ccccn1 ZINC000268238814 474881416 /nfs/dbraw/zinc/88/14/16/474881416.db2.gz OKPOERWMBFJJGH-ACJLOTCBSA-N 1 1 338.455 2.702 20 10 EFCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)c2cccc(F)c2)c1 ZINC000273414675 474887518 /nfs/dbraw/zinc/88/75/18/474887518.db2.gz QLXYAWBZHFRMHC-DIFFPNOSSA-N 1 1 333.359 2.702 20 10 EFCDMO Cc1cc(C[N@H+]2CCC[C@H]2C(=O)NCc2ccco2)ccc1N(C)C ZINC000293263747 474897281 /nfs/dbraw/zinc/89/72/81/474897281.db2.gz XOQOPKYLJRANPG-IBGZPJMESA-N 1 1 341.455 2.935 20 10 EFCDMO COc1c(O)c(C[NH2+]CC2(N(C)C)CCCCC2)ccc1[N+](=O)[O-] ZINC000278902277 474905309 /nfs/dbraw/zinc/90/53/09/474905309.db2.gz RETFHDXZLDEEMM-UHFFFAOYSA-N 1 1 337.420 2.663 20 10 EFCDMO COc1c(O)c(C[NH2+]C[C@H](C(C)C)N2CCCC2)ccc1[N+](=O)[O-] ZINC000278909469 474909300 /nfs/dbraw/zinc/90/93/00/474909300.db2.gz SGULDFJKHANZEJ-OAHLLOKOSA-N 1 1 337.420 2.519 20 10 EFCDMO C[C@@H]1CCSCC[N@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000279247228 474967830 /nfs/dbraw/zinc/96/78/30/474967830.db2.gz KVEOFTVEOVNUDT-OAHLLOKOSA-N 1 1 335.517 2.538 20 10 EFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2ccc(OC)c(O)c2)c1 ZINC000273584418 474976370 /nfs/dbraw/zinc/97/63/70/474976370.db2.gz NKBQGKAWRPCQQS-NSHDSACASA-N 1 1 331.368 2.744 20 10 EFCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)c2cccc(OC)c2)c1 ZINC000273586017 474977920 /nfs/dbraw/zinc/97/79/20/474977920.db2.gz NTDLLBZYBUGEDF-XIKOKIGWSA-N 1 1 345.395 2.572 20 10 EFCDMO C[C@@H](C[S@](C)=O)[N@@H+](C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000279556680 474979797 /nfs/dbraw/zinc/97/97/97/474979797.db2.gz AZRMLBKHSYYUEL-SAHAZLINSA-N 1 1 336.423 2.970 20 10 EFCDMO COc1ccc(N2CCN(CC[C@@H]3CCCC[N@H+]3C)CC2)cc1F ZINC000268454826 474989597 /nfs/dbraw/zinc/98/95/97/474989597.db2.gz JIODOPCPSVBDPF-INIZCTEOSA-N 1 1 335.467 2.831 20 10 EFCDMO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)c1 ZINC000273622758 474994168 /nfs/dbraw/zinc/99/41/68/474994168.db2.gz ZOJGCTCLCDALJS-CABCVRRESA-N 1 1 334.460 2.950 20 10 EFCDMO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)C[C@H](O)COCC(F)(F)F ZINC000292433378 475023934 /nfs/dbraw/zinc/02/39/34/475023934.db2.gz LWQISIJKUCEWGR-INIZCTEOSA-N 1 1 348.409 2.903 20 10 EFCDMO COc1coc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)cc1=O ZINC000268514581 475024783 /nfs/dbraw/zinc/02/47/83/475024783.db2.gz DFAFSJMIJCHLGS-OAHLLOKOSA-N 1 1 345.395 2.535 20 10 EFCDMO COc1coc(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)cc1=O ZINC000268514581 475024791 /nfs/dbraw/zinc/02/47/91/475024791.db2.gz DFAFSJMIJCHLGS-OAHLLOKOSA-N 1 1 345.395 2.535 20 10 EFCDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)c1O ZINC000273734749 475034044 /nfs/dbraw/zinc/03/40/44/475034044.db2.gz KZNRVPAEQUEVRK-MFKMUULPSA-N 1 1 339.741 2.942 20 10 EFCDMO COc1c([O-])c(C[N@H+]2CCC[C@@](CO)(C(C)C)C2)ccc1[N+](=O)[O-] ZINC000293872875 475056666 /nfs/dbraw/zinc/05/66/66/475056666.db2.gz CQTTXLRJVULEKO-QGZVFWFLSA-N 1 1 338.404 2.540 20 10 EFCDMO COc1c(O)c(C[N@@H+]2CCC[C@@](CO)(C(C)C)C2)ccc1[N+](=O)[O-] ZINC000293872875 475056677 /nfs/dbraw/zinc/05/66/77/475056677.db2.gz CQTTXLRJVULEKO-QGZVFWFLSA-N 1 1 338.404 2.540 20 10 EFCDMO COc1c(O)c(C[N@H+]2CCC[C@@](CO)(C(C)C)C2)ccc1[N+](=O)[O-] ZINC000293872875 475056684 /nfs/dbraw/zinc/05/66/84/475056684.db2.gz CQTTXLRJVULEKO-QGZVFWFLSA-N 1 1 338.404 2.540 20 10 EFCDMO Cc1cc(C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)c(C)n1-c1ccccn1 ZINC000292531664 475074974 /nfs/dbraw/zinc/07/49/74/475074974.db2.gz KJBRDAUHRJHWBJ-HXUWFJFHSA-N 1 1 338.455 2.657 20 10 EFCDMO CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000294849110 475087075 /nfs/dbraw/zinc/08/70/75/475087075.db2.gz ZDULOWBPOUJYFU-UHFFFAOYSA-N 1 1 349.438 2.996 20 10 EFCDMO CN(Cc1cccs1)c1ccc(C[NH2+]CCc2nc[nH]n2)cc1 ZINC000294986483 475095337 /nfs/dbraw/zinc/09/53/37/475095337.db2.gz GQOWYWITFLEEEU-UHFFFAOYSA-N 1 1 327.457 2.835 20 10 EFCDMO C[N@@H+](Cc1cc2c(cc1O)OCO2)[C@@H](CO)c1ccc(Cl)cc1 ZINC000295048247 475100133 /nfs/dbraw/zinc/10/01/33/475100133.db2.gz NDRDPUVKEVPVRJ-AWEZNQCLSA-N 1 1 335.787 2.940 20 10 EFCDMO Cc1ccc(O)c(C[N@@H+]2C[C@@H](c3cnn(C)c3)C3(C2)CCOCC3)c1 ZINC000295058839 475101131 /nfs/dbraw/zinc/10/11/31/475101131.db2.gz QDEROWMTHQYHKE-SFHVURJKSA-N 1 1 341.455 2.830 20 10 EFCDMO COC1CCN(c2ccc(C[N@@H+]3CCC[C@@]34CCOC4=O)cc2)CC1 ZINC000295698945 475131271 /nfs/dbraw/zinc/13/12/71/475131271.db2.gz JAIGTTGIJNHXME-FQEVSTJZSA-N 1 1 344.455 2.583 20 10 EFCDMO COC1CCN(c2ccc(C[N@H+]3CCC[C@@]34CCOC4=O)cc2)CC1 ZINC000295698945 475131276 /nfs/dbraw/zinc/13/12/76/475131276.db2.gz JAIGTTGIJNHXME-FQEVSTJZSA-N 1 1 344.455 2.583 20 10 EFCDMO C[C@@H](NC(=O)c1c(F)ccc(O)c1O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000295695586 475131710 /nfs/dbraw/zinc/13/17/10/475131710.db2.gz PCJMFGUBOJYYAI-NEPJUHHUSA-N 1 1 336.407 2.620 20 10 EFCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)cc1F ZINC000281333671 475174660 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/nfs/dbraw/zinc/24/67/41/1265246741.db2.gz UTUOHVMJDTVTAN-IBGZPJMESA-N 1 1 332.419 2.898 20 10 EFCDMO O=C1N(C2CCCC2)CC[C@]12CC[N@H+](Cc1c(O)cccc1F)C2 ZINC001273266245 1265246752 /nfs/dbraw/zinc/24/67/52/1265246752.db2.gz UTUOHVMJDTVTAN-IBGZPJMESA-N 1 1 332.419 2.898 20 10 EFCDMO O=C1N(CC(F)F)CCC12CC[NH+](Cc1c(O)cccc1F)CC2 ZINC001273266435 1265249130 /nfs/dbraw/zinc/24/91/30/1265249130.db2.gz XWIISXYOFXVUCH-UHFFFAOYSA-N 1 1 342.361 2.611 20 10 EFCDMO CO[C@H]1COCC[C@H]1C[NH2+]Cc1cc(C)cc(Br)c1O ZINC000824709023 1278257127 /nfs/dbraw/zinc/25/71/27/1278257127.db2.gz MJROTVIVBMUSAH-FZMZJTMJSA-N 1 1 344.249 2.604 20 10 EFCDMO O[C@@H]1CCC[C@H]1[C@H]1CCC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000824714816 1278259420 /nfs/dbraw/zinc/25/94/20/1278259420.db2.gz HEQRUAJMRKBDTC-XUVXKRRUSA-N 1 1 330.472 2.649 20 10 EFCDMO Cc1cc([O-])c(C[NH+]2CCC(OCC[NH+](C)C)CC2)cc1Cl ZINC000824769652 1278273936 /nfs/dbraw/zinc/27/39/36/1278273936.db2.gz XTDFCXVOTLEHMH-UHFFFAOYSA-N 1 1 326.868 2.897 20 10 EFCDMO Cc1ccc(C)c(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC(F)F)c1O ZINC001273049101 1266788160 /nfs/dbraw/zinc/78/81/60/1266788160.db2.gz LSDWRZABQJPVTC-HUUCEWRRSA-N 1 1 338.398 2.839 20 10 EFCDMO O=C(NCc1ccccc1O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000734217026 1266914710 /nfs/dbraw/zinc/91/47/10/1266914710.db2.gz RFQXZHMZAWAXOC-GOSISDBHSA-N 1 1 339.439 2.856 20 10 EFCDMO CCN(CC)c1ccc(CN(C)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000734285175 1266938272 /nfs/dbraw/zinc/93/82/72/1266938272.db2.gz HJRNFJWNQNFMQX-QGZVFWFLSA-N 1 1 344.503 2.911 20 10 EFCDMO COc1ccc(N2CC[NH+](CCNC(=O)[C@H](C)C(C)(C)C)CC2)cc1 ZINC000734430274 1266971227 /nfs/dbraw/zinc/97/12/27/1266971227.db2.gz XSEMYIQHDBZCSJ-INIZCTEOSA-N 1 1 347.503 2.616 20 10 EFCDMO COC(=O)CC[N@@H+](Cc1cc(Cl)c(C)cc1O)C1CCOCC1 ZINC000824883919 1278347493 /nfs/dbraw/zinc/34/74/93/1278347493.db2.gz PXXYKJIUYGNEFJ-UHFFFAOYSA-N 1 1 341.835 2.898 20 10 EFCDMO Cc1cc(C(=O)N(C)CC[N@@H+](C)C2CC2)c(C)n1-c1ccccn1 ZINC000186806679 1267728747 /nfs/dbraw/zinc/72/87/47/1267728747.db2.gz XCUKGEHTAJKMMW-UHFFFAOYSA-N 1 1 326.444 2.655 20 10 EFCDMO O=C1N(CC(F)F)CC[C@@]12CC[N@H+](Cc1c(O)cccc1Cl)C2 ZINC001273108482 1267781339 /nfs/dbraw/zinc/78/13/39/1267781339.db2.gz RINCFQJFACGHKZ-MRXNPFEDSA-N 1 1 344.789 2.735 20 10 EFCDMO CO[C@@H]1C[N@@H+](Cc2ccc(N(C)Cc3cccs3)cc2)C[C@H]1O ZINC000825025189 1278386625 /nfs/dbraw/zinc/38/66/25/1278386625.db2.gz ZIPSBWSTCFKBOB-QZTJIDSGSA-N 1 1 332.469 2.576 20 10 EFCDMO CC(C)[N@H+]1CC[C@H](CNC(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000741065175 1269293475 /nfs/dbraw/zinc/29/34/75/1269293475.db2.gz RRWGXNALVHUUBK-GOSISDBHSA-N 1 1 342.487 2.592 20 10 EFCDMO C[C@@H](F)CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001085994779 1269450100 /nfs/dbraw/zinc/45/01/00/1269450100.db2.gz UQKOQPHHVOLUMU-IUODEOHRSA-N 1 1 349.410 2.743 20 10 EFCDMO CN(C[C@H]1CC[N@H+]1CC1CCC1)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001085994839 1269450869 /nfs/dbraw/zinc/45/08/69/1269450869.db2.gz WHDJNLYDHVSUGN-MRXNPFEDSA-N 1 1 343.431 2.795 20 10 EFCDMO CCOc1cccc(C[N@@H+](CCO)Cc2cc(OC)ccc2O)c1 ZINC000825299938 1278497068 /nfs/dbraw/zinc/49/70/68/1278497068.db2.gz SZEJNICKSJGIIT-UHFFFAOYSA-N 1 1 331.412 2.794 20 10 EFCDMO COc1ccc(O)c(C[N@H+]2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)c1 ZINC000825294232 1278495942 /nfs/dbraw/zinc/49/59/42/1278495942.db2.gz KXVSJBYZOKUPEV-CJNGLKHVSA-N 1 1 348.443 2.842 20 10 EFCDMO CCN(CC)c1ccc(C[N@H+](C)CC(=O)NCc2ccco2)cc1 ZINC000741675932 1269652243 /nfs/dbraw/zinc/65/22/43/1269652243.db2.gz IGFOSKOIUZLGFU-UHFFFAOYSA-N 1 1 329.444 2.874 20 10 EFCDMO CCN(CC)c1ccc(C[N@@H+](C)CC(=O)NCc2ccco2)cc1 ZINC000741675932 1269652249 /nfs/dbraw/zinc/65/22/49/1269652249.db2.gz IGFOSKOIUZLGFU-UHFFFAOYSA-N 1 1 329.444 2.874 20 10 EFCDMO CC[C@H](F)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001033700060 1269866867 /nfs/dbraw/zinc/86/68/67/1269866867.db2.gz TYHKGAJAGQGOQG-ZFWWWQNUSA-N 1 1 349.410 2.743 20 10 EFCDMO CC[C@H](F)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001033700060 1269866884 /nfs/dbraw/zinc/86/68/84/1269866884.db2.gz TYHKGAJAGQGOQG-ZFWWWQNUSA-N 1 1 349.410 2.743 20 10 EFCDMO CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(Br)cc2[O-])C1 ZINC000701073964 1269867253 /nfs/dbraw/zinc/86/72/53/1269867253.db2.gz GJALGVRLRQPOIH-LBPRGKRZSA-N 1 1 327.266 2.975 20 10 EFCDMO CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(Br)cc2[O-])C1 ZINC000701073964 1269867263 /nfs/dbraw/zinc/86/72/63/1269867263.db2.gz GJALGVRLRQPOIH-LBPRGKRZSA-N 1 1 327.266 2.975 20 10 EFCDMO COc1ccc(N2CC[NH+](CCCNCc3occc3C)CC2)cc1 ZINC000742366882 1270007728 /nfs/dbraw/zinc/00/77/28/1270007728.db2.gz ZURBGULZOCZFNT-UHFFFAOYSA-N 1 1 343.471 2.899 20 10 EFCDMO CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1ccc(Br)cc1[O-] ZINC000825436534 1278563843 /nfs/dbraw/zinc/56/38/43/1278563843.db2.gz VTHVRYASQBVSDG-AWEZNQCLSA-N 1 1 345.281 2.601 20 10 EFCDMO Cc1cc(O)c(C[N@H+]2CCOCC3(CCOCC3)C2)cc1Cl ZINC000825501857 1278573116 /nfs/dbraw/zinc/57/31/16/1278573116.db2.gz SGBLYOKQTFMSHS-UHFFFAOYSA-N 1 1 325.836 2.983 20 10 EFCDMO Cc1cc(C(=O)NCC[N@@H+]2CCC[C@H]2C)c(C)n1-c1ccccn1 ZINC000744348163 1270982983 /nfs/dbraw/zinc/98/29/83/1270982983.db2.gz GDPIDFZCENXVFK-CQSZACIVSA-N 1 1 326.444 2.703 20 10 EFCDMO CCN(CC)c1ccc(CNC(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000745655332 1271552396 /nfs/dbraw/zinc/55/23/96/1271552396.db2.gz IGBNHGFRSUDTJF-NVXWUHKLSA-N 1 1 332.492 2.815 20 10 EFCDMO [O-]c1c(Cl)cccc1C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000702637013 1271563934 /nfs/dbraw/zinc/56/39/34/1271563934.db2.gz RNPYYOFDPDURJG-LJQANCHMSA-N 1 1 346.858 2.772 20 10 EFCDMO [O-]c1c(Cl)cccc1C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000702637013 1271563939 /nfs/dbraw/zinc/56/39/39/1271563939.db2.gz RNPYYOFDPDURJG-LJQANCHMSA-N 1 1 346.858 2.772 20 10 EFCDMO COc1cc(C(=O)N[C@H]2CCCC[N@@H+](CCC(C)C)C2)cc(OC)n1 ZINC001034289561 1271569668 /nfs/dbraw/zinc/56/96/68/1271569668.db2.gz ZAQKCKXLUIFZCN-INIZCTEOSA-N 1 1 349.475 2.729 20 10 EFCDMO CN(C)c1ccc(NC(=O)CC[N@@H+](C)Cc2ccccc2O)cc1 ZINC000792250582 1278675621 /nfs/dbraw/zinc/67/56/21/1278675621.db2.gz VZZMRNBECSIVPN-UHFFFAOYSA-N 1 1 327.428 2.919 20 10 EFCDMO NC(=O)N=Nc1ccc(C(=O)N[C@H]2CCCC[N@@H+](CC3CC3)C2)cc1 ZINC001034546312 1272263491 /nfs/dbraw/zinc/26/34/91/1272263491.db2.gz AFBQUMHGSFWSQC-INIZCTEOSA-N 1 1 343.431 2.843 20 10 EFCDMO CCOC(=O)C(=Cc1cc(C)c(C)[nH+]c1NCC1OCCO1)N=[N+]=[N-] ZINC001169062683 1272636404 /nfs/dbraw/zinc/63/64/04/1272636404.db2.gz KRKKYWIGGIYTFT-JYRVWZFOSA-N 1 1 347.375 2.698 20 10 EFCDMO C[C@H]1C[N@H+](Cc2c([O-])cccc2Br)CCC[C@H]1C[NH3+] ZINC001206003147 1272721443 /nfs/dbraw/zinc/72/14/43/1272721443.db2.gz FKQOXZIDBIKFCC-RYUDHWBXSA-N 1 1 327.266 2.962 20 10 EFCDMO C[C@H]1C[N@@H+](Cc2c([O-])cccc2Br)CCC[C@H]1C[NH3+] ZINC001206003147 1272721450 /nfs/dbraw/zinc/72/14/50/1272721450.db2.gz FKQOXZIDBIKFCC-RYUDHWBXSA-N 1 1 327.266 2.962 20 10 EFCDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)C1CCC(S(C)(=O)=O)CC1 ZINC001169893805 1273222140 /nfs/dbraw/zinc/22/21/40/1273222140.db2.gz IBYIVMNHHIVGMJ-UHFFFAOYSA-N 1 1 338.517 2.930 20 10 EFCDMO Oc1cccc(Br)c1CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000706853930 1275053008 /nfs/dbraw/zinc/05/30/08/1275053008.db2.gz NQHVVPIFFITQCG-NWDGAFQWSA-N 1 1 325.250 2.871 20 10 EFCDMO C[N@H+](Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)CC1CC(O)C1 ZINC000785984151 1275265625 /nfs/dbraw/zinc/26/56/25/1275265625.db2.gz GVIFYZMQWMPTDC-UHFFFAOYSA-N 1 1 333.432 2.788 20 10 EFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H](CO)Cc2ccc(C)cc2)c1 ZINC000786585354 1275436082 /nfs/dbraw/zinc/43/60/82/1275436082.db2.gz VTYPKBQCCKZRGV-WMLDXEAASA-N 1 1 343.423 2.741 20 10 EFCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@@H](CO)Cc2ccc(C)cc2)c1 ZINC000786585351 1275436276 /nfs/dbraw/zinc/43/62/76/1275436276.db2.gz VTYPKBQCCKZRGV-RHSMWYFYSA-N 1 1 343.423 2.741 20 10 EFCDMO CNC(=O)c1cccc(C[N@@H+](C)CCN(C)c2ccc(OC)cc2)c1 ZINC000844401394 1278952766 /nfs/dbraw/zinc/95/27/66/1278952766.db2.gz NGJJPWQYUFCGRZ-UHFFFAOYSA-N 1 1 341.455 2.623 20 10 EFCDMO COc1ccc(N(C)CC[N@@H+](C)Cc2cc(OC)cc(C)n2)cc1 ZINC000844402475 1278954148 /nfs/dbraw/zinc/95/41/48/1278954148.db2.gz YYPJMPHBXLEYMW-UHFFFAOYSA-N 1 1 329.444 2.975 20 10 EFCDMO C[C@H]([NH2+]Cc1ccc(S(C)(=O)=O)s1)c1cc(F)cc(F)c1O ZINC000786964582 1275592329 /nfs/dbraw/zinc/59/23/29/1275592329.db2.gz ZECXURHDFJZADC-QMMMGPOBSA-N 1 1 347.408 2.986 20 10 EFCDMO C[C@H]([NH2+]Cc1ccc(S(C)(=O)=O)s1)c1ccc(F)cc1O ZINC000786965867 1275593147 /nfs/dbraw/zinc/59/31/47/1275593147.db2.gz OXEWAGLXYPPWIL-VIFPVBQESA-N 1 1 329.418 2.847 20 10 EFCDMO COC(=O)[C@@H]1CC[N@@H+](Cc2c(O)ccc3ccc(OC)cc32)[C@@H]1C ZINC000787239939 1275731573 /nfs/dbraw/zinc/73/15/73/1275731573.db2.gz PKLZTFCMPWSMQO-IUODEOHRSA-N 1 1 329.396 2.937 20 10 EFCDMO COc1cccc(O)c1C[N@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000787292180 1275736062 /nfs/dbraw/zinc/73/60/62/1275736062.db2.gz YAMBAIWVQKNVQS-CYBMUJFWSA-N 1 1 332.375 2.978 20 10 EFCDMO COC(=O)[C@H]1CC[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2O)[C@@H]1C ZINC000787326814 1275757598 /nfs/dbraw/zinc/75/75/98/1275757598.db2.gz KDRLTYKOYUFKRF-RNCFNFMXSA-N 1 1 325.792 2.632 20 10 EFCDMO COC(=O)[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2O)[C@H]1C ZINC000787326815 1275758298 /nfs/dbraw/zinc/75/82/98/1275758298.db2.gz KDRLTYKOYUFKRF-TVQRCGJNSA-N 1 1 325.792 2.632 20 10 EFCDMO Cc1ccc(C)n1-c1ccc(C(=O)N2CCN(c3[nH]cc[nH+]3)CC2)cc1 ZINC000788194783 1276084394 /nfs/dbraw/zinc/08/43/94/1276084394.db2.gz BQWVNBHLDQVYRB-UHFFFAOYSA-N 1 1 349.438 2.780 20 10 EFCDMO C[N@H+]1CCCC[C@H]1c1ccc(NCC(=O)c2ccc(O)c(O)c2)nc1 ZINC001170316697 1279009248 /nfs/dbraw/zinc/00/92/48/1279009248.db2.gz YXXXLBYMSOLGBG-HNNXBMFYSA-N 1 1 341.411 2.944 20 10 EFCDMO C[N@H+]1CC[C@H](c2ccc(NCC(=O)c3ccc(O)c(O)c3)cc2)C1 ZINC001170320731 1279012908 /nfs/dbraw/zinc/01/29/08/1279012908.db2.gz LCLXGOCWERFUOR-HNNXBMFYSA-N 1 1 326.396 2.812 20 10 EFCDMO C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000817893516 1276362664 /nfs/dbraw/zinc/36/26/64/1276362664.db2.gz GGRJAVDZMNCSJR-LAUBAEHRSA-N 1 1 339.483 2.571 20 10 EFCDMO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCc1ccc(N2CCOCC2)cc1 ZINC000817893516 1276362669 /nfs/dbraw/zinc/36/26/69/1276362669.db2.gz GGRJAVDZMNCSJR-LAUBAEHRSA-N 1 1 339.483 2.571 20 10 EFCDMO C[C@@H](N)[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000817893515 1276363521 /nfs/dbraw/zinc/36/35/21/1276363521.db2.gz GGRJAVDZMNCSJR-DYESRHJHSA-N 1 1 339.483 2.571 20 10 EFCDMO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCc1ccc(N2CCOCC2)cc1 ZINC000817893515 1276363527 /nfs/dbraw/zinc/36/35/27/1276363527.db2.gz GGRJAVDZMNCSJR-DYESRHJHSA-N 1 1 339.483 2.571 20 10 EFCDMO [NH3+][C@H]1CCCCC[C@H]1NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000817896152 1276365021 /nfs/dbraw/zinc/36/50/21/1276365021.db2.gz YRJLAHLGTOIIEJ-VQTJNVASSA-N 1 1 331.504 2.645 20 10 EFCDMO N[C@H]1CCCCC[C@H]1[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000817896152 1276365023 /nfs/dbraw/zinc/36/50/23/1276365023.db2.gz YRJLAHLGTOIIEJ-VQTJNVASSA-N 1 1 331.504 2.645 20 10 EFCDMO C[C@H](NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@H]1CCC[NH2+]1 ZINC000817903925 1276368756 /nfs/dbraw/zinc/36/87/56/1276368756.db2.gz XBZQHLAIADPFGZ-SUMWQHHRSA-N 1 1 339.430 2.987 20 10 EFCDMO C[C@@H]([NH2+]CC[NH3+])c1cc(Br)cc(Br)c1[O-] ZINC000817934898 1276381432 /nfs/dbraw/zinc/38/14/32/1276381432.db2.gz PXDOTRDIBXYJDP-ZCFIWIBFSA-N 1 1 338.043 2.527 20 10 EFCDMO C[C@H](CC(=O)Nc1ccccc1)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817939062 1276385634 /nfs/dbraw/zinc/38/56/34/1276385634.db2.gz YKXJEMQDBNWJSB-BEFAXECRSA-N 1 1 340.471 2.759 20 10 EFCDMO C[C@@H](CC(=O)Nc1ccccc1)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817939065 1276385849 /nfs/dbraw/zinc/38/58/49/1276385849.db2.gz YKXJEMQDBNWJSB-KXBFYZLASA-N 1 1 340.471 2.759 20 10 EFCDMO CCn1nc(C)c(C[NH2+][C@H](C)c2ccc(Br)cc2O)n1 ZINC000818344902 1276510999 /nfs/dbraw/zinc/51/09/99/1276510999.db2.gz HWTYUUYGIOXJTF-SECBINFHSA-N 1 1 339.237 2.925 20 10 EFCDMO COc1ccc(N2CC[C@@H](C[NH2+]C3CCN(C(C)C)CC3)C2)cc1 ZINC000818344170 1276511462 /nfs/dbraw/zinc/51/14/62/1276511462.db2.gz KGTPDIOOKWVEEU-KRWDZBQOSA-N 1 1 331.504 2.984 20 10 EFCDMO CCN1CC[C@H]([NH2+]C[C@@H]2CCN(c3ccc(OC)cc3)C2)[C@@H](C)C1 ZINC000818344142 1276511500 /nfs/dbraw/zinc/51/15/00/1276511500.db2.gz JUARENPNVBUMOD-ZWOKBUDYSA-N 1 1 331.504 2.841 20 10 EFCDMO COc1ccc(N2CC[C@@H](C[NH2+]C3C[C@H]4CC[C@@H](C3)N4C)C2)cc1 ZINC000818342723 1276511762 /nfs/dbraw/zinc/51/17/62/1276511762.db2.gz UXEPNQIAFORMKB-WELJNPPOSA-N 1 1 329.488 2.736 20 10 EFCDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000818978711 1276560839 /nfs/dbraw/zinc/56/08/39/1276560839.db2.gz ZGXYGRBCHZVYFN-MRXNPFEDSA-N 1 1 326.444 2.655 20 10 EFCDMO Cc1cc(C[N@@H+](C)CC(=O)NCc2cccs2)ccc1N(C)C ZINC000815048003 1287266317 /nfs/dbraw/zinc/26/63/17/1287266317.db2.gz NLEHSBKGMTULKV-UHFFFAOYSA-N 1 1 331.485 2.871 20 10 EFCDMO COc1cc(C[N@H+]2CC[C@@H](N3CCCC3=O)C2)c(O)c(C(C)(C)C)c1 ZINC000790460822 1277545862 /nfs/dbraw/zinc/54/58/62/1277545862.db2.gz QFJVVYHCSCVFSN-OAHLLOKOSA-N 1 1 346.471 2.895 20 10 EFCDMO Cc1cc(C[N@@H+](C)CC(=O)NCc2ccccc2)ccc1N(C)C ZINC000815071412 1287297321 /nfs/dbraw/zinc/29/73/21/1287297321.db2.gz JXGQDQFQWMDWHV-UHFFFAOYSA-N 1 1 325.456 2.809 20 10 EFCDMO C[NH+]1CCN(c2ccc(CN3CCO[C@H](C(C)(C)C)C3)cc2)CC1 ZINC000790930882 1277853359 /nfs/dbraw/zinc/85/33/59/1277853359.db2.gz JXAZTSNVYINCEZ-IBGZPJMESA-N 1 1 331.504 2.685 20 10 EFCDMO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1cccc(O)c1O ZINC000790910757 1277866218 /nfs/dbraw/zinc/86/62/18/1277866218.db2.gz AYBHAPVAWMFSJM-GJZGRUSLSA-N 1 1 340.423 2.833 20 10 EFCDMO C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1cccc(O)c1O ZINC000790910757 1277866223 /nfs/dbraw/zinc/86/62/23/1277866223.db2.gz AYBHAPVAWMFSJM-GJZGRUSLSA-N 1 1 340.423 2.833 20 10 EFCDMO CN(C)C(=O)[C@H]1CCC[C@@H]([NH2+]Cc2c(O)ccc(Cl)c2F)C1 ZINC000790965003 1277884684 /nfs/dbraw/zinc/88/46/84/1277884684.db2.gz YKRBABQUEFHRGA-WDEREUQCSA-N 1 1 328.815 2.921 20 10 EFCDMO Oc1ccc(Cl)c(F)c1C[NH2+][C@H]1CCCC[C@H]1N1CCOCC1 ZINC000790977731 1277908978 /nfs/dbraw/zinc/90/89/78/1277908978.db2.gz RIHXVSVABFVVKE-LSDHHAIUSA-N 1 1 342.842 2.918 20 10 EFCDMO OC[C@H](C[C@@H](O)c1ccccc1)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790983314 1277911612 /nfs/dbraw/zinc/91/16/12/1277911612.db2.gz RCAPRZSSGWLQKF-BLLLJJGKSA-N 1 1 339.794 2.759 20 10 EFCDMO C[C@H]1CCC[N@@H+](CCNC(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000746983158 1277962803 /nfs/dbraw/zinc/96/28/03/1277962803.db2.gz UILANUMHINAFMN-INIZCTEOSA-N 1 1 344.503 2.600 20 10 EFCDMO CCN(C)c1ccc(CN2CC[N@H+](C3CCOCC3)C[C@@H]2C)cc1 ZINC000815104728 1287326071 /nfs/dbraw/zinc/32/60/71/1287326071.db2.gz SHLGDOKPJDORRU-KRWDZBQOSA-N 1 1 331.504 2.828 20 10 EFCDMO Cc1cc(C[N@H+]2CCN3C(=O)N(CC(C)C)C[C@@H]3C2)ccc1N(C)C ZINC000815104363 1287326258 /nfs/dbraw/zinc/32/62/58/1287326258.db2.gz IUBKNXZUEDEVLH-SFHVURJKSA-N 1 1 344.503 2.639 20 10 EFCDMO CCOC(=O)[C@]1(COC)CCC[N@@H+](Cc2ccc(N(C)CC)cc2)C1 ZINC000815108474 1287329730 /nfs/dbraw/zinc/32/97/30/1287329730.db2.gz XHQUBDSZXJKDPZ-HXUWFJFHSA-N 1 1 348.487 2.934 20 10 EFCDMO O=S1(=O)CCC[C@H](C[N@H+](Cc2ccccc2O)C2CCCC2)C1 ZINC000792868367 1279202976 /nfs/dbraw/zinc/20/29/76/1279202976.db2.gz UMGCZSGFPNDGPH-OAHLLOKOSA-N 1 1 337.485 2.962 20 10 EFCDMO CC(C)C(=O)NCC[N@@H+](C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792841846 1279211940 /nfs/dbraw/zinc/21/19/40/1279211940.db2.gz OIBDZYWPNNOLOU-UHFFFAOYSA-N 1 1 345.409 2.975 20 10 EFCDMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NCc1ccc(OC)cc1O ZINC000792921265 1279276549 /nfs/dbraw/zinc/27/65/49/1279276549.db2.gz DSHQCSZTBPZXSZ-MRXNPFEDSA-N 1 1 349.475 2.855 20 10 EFCDMO C[C@@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)[C@@H]1CC[NH3+] ZINC000844900645 1279322149 /nfs/dbraw/zinc/32/21/49/1279322149.db2.gz CAOWEBXQLYLTQZ-CRAIPNDOSA-N 1 1 335.467 2.612 20 10 EFCDMO C[C@@H]1CCCN(Cc2ccc(N3CCOCC3)c(F)c2)[C@@H]1CC[NH3+] ZINC000844900645 1279322156 /nfs/dbraw/zinc/32/21/56/1279322156.db2.gz CAOWEBXQLYLTQZ-CRAIPNDOSA-N 1 1 335.467 2.612 20 10 EFCDMO Oc1cc(F)c(Br)cc1CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC001144299945 1279388364 /nfs/dbraw/zinc/38/83/64/1279388364.db2.gz NBBBMADIMWQDSC-LLVKDONJSA-N 1 1 329.213 2.574 20 10 EFCDMO Oc1cc(F)c(Br)cc1CN1CC[N@H+]2CCC[C@@H]2C1 ZINC001144299945 1279388374 /nfs/dbraw/zinc/38/83/74/1279388374.db2.gz NBBBMADIMWQDSC-LLVKDONJSA-N 1 1 329.213 2.574 20 10 EFCDMO Oc1cc(F)c(Br)cc1C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC001144306580 1279403388 /nfs/dbraw/zinc/40/33/88/1279403388.db2.gz HTJDVYXZPUKUCJ-OTYXRUKQSA-N 1 1 330.197 2.905 20 10 EFCDMO Oc1cc(F)c(Br)cc1C[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC001144306580 1279403390 /nfs/dbraw/zinc/40/33/90/1279403390.db2.gz HTJDVYXZPUKUCJ-OTYXRUKQSA-N 1 1 330.197 2.905 20 10 EFCDMO COc1ccc(O)c([C@H](C)NC(=O)NC[C@H](c2ccco2)[NH+](C)C)c1 ZINC000103595747 1279435846 /nfs/dbraw/zinc/43/58/46/1279435846.db2.gz BLIPFJGZCNMREL-SWLSCSKDSA-N 1 1 347.415 2.657 20 10 EFCDMO C[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C[C@H](C2CC2)O1 ZINC000793214689 1279443771 /nfs/dbraw/zinc/44/37/71/1279443771.db2.gz QBIBMGLZMKYPJE-IFXJQAMLSA-N 1 1 334.435 2.662 20 10 EFCDMO C[C@H]1C[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C[C@H](C2CC2)O1 ZINC000793214689 1279443775 /nfs/dbraw/zinc/44/37/75/1279443775.db2.gz QBIBMGLZMKYPJE-IFXJQAMLSA-N 1 1 334.435 2.662 20 10 EFCDMO CC(C)([NH2+]Cc1cccc(Br)c1O)C(=O)N1CCCC1 ZINC000793394835 1279625411 /nfs/dbraw/zinc/62/54/11/1279625411.db2.gz MYCITCTVFAAKDS-UHFFFAOYSA-N 1 1 341.249 2.645 20 10 EFCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2cnc3n2CCCC3)c1 ZINC000793566968 1279751191 /nfs/dbraw/zinc/75/11/91/1279751191.db2.gz WFBSMQNCMSWCOR-GFCCVEGCSA-N 1 1 329.400 2.562 20 10 EFCDMO C[C@@H](O)C[N@H+]1CCN(Cc2ccc(N3CCCCC3)cc2)[C@H](C)C1 ZINC000793593253 1279762249 /nfs/dbraw/zinc/76/22/49/1279762249.db2.gz WVDPMMOFJQKEQP-QZTJIDSGSA-N 1 1 331.504 2.564 20 10 EFCDMO C[C@@H](O)CN1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)[C@H](C)C1 ZINC000793593253 1279762253 /nfs/dbraw/zinc/76/22/53/1279762253.db2.gz WVDPMMOFJQKEQP-QZTJIDSGSA-N 1 1 331.504 2.564 20 10 EFCDMO C[C@@H](O)CN1CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)[C@H](C)C1 ZINC000793593253 1279762258 /nfs/dbraw/zinc/76/22/58/1279762258.db2.gz WVDPMMOFJQKEQP-QZTJIDSGSA-N 1 1 331.504 2.564 20 10 EFCDMO COc1cccc(O[C@@H]2CCC[N@@H+](Cc3c(O)cc(O)cc3O)C2)c1 ZINC001144509187 1279768810 /nfs/dbraw/zinc/76/88/10/1279768810.db2.gz OGUCYBYOPCBZAJ-MRXNPFEDSA-N 1 1 345.395 2.855 20 10 EFCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCc2ccc3c[nH]nc3c2)c1 ZINC000793575260 1279771388 /nfs/dbraw/zinc/77/13/88/1279771388.db2.gz VFOZTHZGJSPFGT-GFCCVEGCSA-N 1 1 339.395 2.948 20 10 EFCDMO CC[N@@H+](Cc1c(O)cc(O)cc1O)[C@H]1CCN(Cc2ccccc2)C1 ZINC001144514828 1279775097 /nfs/dbraw/zinc/77/50/97/1279775097.db2.gz UCUYEOAMSNISQT-INIZCTEOSA-N 1 1 342.439 2.900 20 10 EFCDMO Cc1cc(C[N@H+]2CC[C@H](CS(C)(=O)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000793700946 1279832628 /nfs/dbraw/zinc/83/26/28/1279832628.db2.gz BKECVABILBBNGY-AWEZNQCLSA-N 1 1 339.501 2.865 20 10 EFCDMO C[C@@H]([NH2+]Cc1ccc(N2CCN(C)CC2)cc1)c1ccccc1O ZINC000845991702 1279962170 /nfs/dbraw/zinc/96/21/70/1279962170.db2.gz VUXNLNRKASCMDV-MRXNPFEDSA-N 1 1 325.456 2.995 20 10 EFCDMO COc1ccc(N(C)CC[N@@H+](C)Cc2c(O)cccc2OC)cc1 ZINC000846051739 1280001304 /nfs/dbraw/zinc/00/13/04/1280001304.db2.gz HSUSWMMRBNWPJP-UHFFFAOYSA-N 1 1 330.428 2.978 20 10 EFCDMO COc1ccc(N(C)CC[N@@H+](C)Cc2ccc(N(C)C)nc2)cc1 ZINC000846051353 1280002739 /nfs/dbraw/zinc/00/27/39/1280002739.db2.gz GJSNUKMHHOSPGV-UHFFFAOYSA-N 1 1 328.460 2.724 20 10 EFCDMO COc1cccc(C[N@H+]2CCN(C)C[C@@H]2Cc2ccccc2)c1O ZINC000846066777 1280017294 /nfs/dbraw/zinc/01/72/94/1280017294.db2.gz GAJSYJCRUDGIBD-SFHVURJKSA-N 1 1 326.440 2.760 20 10 EFCDMO COc1cccc(C[N@H+]2CCN(C)C[C@H]2Cc2ccccc2)c1O ZINC000846066776 1280017530 /nfs/dbraw/zinc/01/75/30/1280017530.db2.gz GAJSYJCRUDGIBD-GOSISDBHSA-N 1 1 326.440 2.760 20 10 EFCDMO COC(=O)[C@@H]1C[N@H+](Cc2cc(Cl)c(F)cc2O)C[C@H]1C1CC1 ZINC000846119257 1280025864 /nfs/dbraw/zinc/02/58/64/1280025864.db2.gz CIMRUAWTSPYIRC-NWDGAFQWSA-N 1 1 327.783 2.816 20 10 EFCDMO COC(=O)[C@@H]1C[N@@H+](Cc2cc(Cl)c(F)cc2O)C[C@H]1C1CC1 ZINC000846119257 1280025870 /nfs/dbraw/zinc/02/58/70/1280025870.db2.gz CIMRUAWTSPYIRC-NWDGAFQWSA-N 1 1 327.783 2.816 20 10 EFCDMO C[C@H](CC[NH+](C)C)NC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805184688 1280473205 /nfs/dbraw/zinc/47/32/05/1280473205.db2.gz VRZTZZUHTJBCTK-SECBINFHSA-N 1 1 334.247 2.838 20 10 EFCDMO CCCNC(=O)CCC[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000846824060 1280518449 /nfs/dbraw/zinc/51/84/49/1280518449.db2.gz GSFBOWFOUIZTRN-KRWDZBQOSA-N 1 1 334.460 2.680 20 10 EFCDMO CC[N@@H+](CCCC(=O)N(C)C)Cc1cc(Br)ccc1O ZINC000846806095 1280539564 /nfs/dbraw/zinc/53/95/64/1280539564.db2.gz DHMJZZZWJQHOAS-UHFFFAOYSA-N 1 1 343.265 2.845 20 10 EFCDMO CC[N@@H+](CC[C@@H]1CCNC1=O)Cc1cc(Br)ccc1O ZINC000846809108 1280543662 /nfs/dbraw/zinc/54/36/62/1280543662.db2.gz MOLPRMPBIQRCCL-NSHDSACASA-N 1 1 341.249 2.503 20 10 EFCDMO CCN(C)c1ccc(CN2CCC([N@@H+]3CCOC[C@@H]3C)CC2)cc1 ZINC000846914091 1280637400 /nfs/dbraw/zinc/63/74/00/1280637400.db2.gz WUGZNQWEPCFBRO-KRWDZBQOSA-N 1 1 331.504 2.828 20 10 EFCDMO CCN(C)c1ccc(CN2CCC([N@H+]3CCOC[C@@H]3C)CC2)cc1 ZINC000846914091 1280637410 /nfs/dbraw/zinc/63/74/10/1280637410.db2.gz WUGZNQWEPCFBRO-KRWDZBQOSA-N 1 1 331.504 2.828 20 10 EFCDMO CCC[N@H+]1CCC[C@H]1CNC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000806634384 1281118489 /nfs/dbraw/zinc/11/84/89/1281118489.db2.gz KHXDXBFXBOMKAD-HNNXBMFYSA-N 1 1 336.455 2.565 20 10 EFCDMO CCC[N@H+]1CCC[C@H]1CNC(=O)NCc1ccc(N(C)C)cc1C ZINC000806821922 1281159832 /nfs/dbraw/zinc/15/98/32/1281159832.db2.gz RNGYENLXIUTJEX-SFHVURJKSA-N 1 1 332.492 2.735 20 10 EFCDMO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3c(O)ccc(Cl)c3F)[C@H]2C1 ZINC000808446849 1281715042 /nfs/dbraw/zinc/71/50/42/1281715042.db2.gz MLLOGOQWYVSQED-WHOFXGATSA-N 1 1 340.826 2.921 20 10 EFCDMO COCC(C)(C)CCC[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000808428905 1281724623 /nfs/dbraw/zinc/72/46/23/1281724623.db2.gz VAPFOQJYEJDAFA-UHFFFAOYSA-N 1 1 333.520 2.981 20 10 EFCDMO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H](C)CN2CCN(C)CC2)c1O ZINC000808693338 1281847146 /nfs/dbraw/zinc/84/71/46/1281847146.db2.gz GJUKYNSHSBAHES-UONOGXRCSA-N 1 1 325.884 2.641 20 10 EFCDMO CN(C)C(=O)C[N@@H+](C)Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000809540968 1282277567 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C[NH+](C)CCN(Cc1c(O)ccc(Cl)c1F)C[C@@H]1CCCO1 ZINC000809737142 1282437168 /nfs/dbraw/zinc/43/71/68/1282437168.db2.gz CXSGZBXFUPJQEK-LBPRGKRZSA-N 1 1 330.831 2.727 20 10 EFCDMO CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cccc(Cl)c1[O-] ZINC000809737937 1282437527 /nfs/dbraw/zinc/43/75/27/1282437527.db2.gz MSWZIWWYGJZKOP-INIZCTEOSA-N 1 1 339.911 2.894 20 10 EFCDMO COCC[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cc1cccnc1 ZINC000809741834 1282443438 /nfs/dbraw/zinc/44/34/38/1282443438.db2.gz YNTYLRCHLDAKID-UHFFFAOYSA-N 1 1 341.455 2.567 20 10 EFCDMO Cc1nonc1C[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000809744077 1282444730 /nfs/dbraw/zinc/44/47/30/1282444730.db2.gz UMOBNGKXIDMMKG-UHFFFAOYSA-N 1 1 325.368 2.952 20 10 EFCDMO C[N@H+](Cc1cc(Br)ccc1O)C[C@H](O)C(F)(F)F ZINC000809750816 1282454703 /nfs/dbraw/zinc/45/47/03/1282454703.db2.gz JEVVJXDESGIBTM-JTQLQIEISA-N 1 1 328.128 2.510 20 10 EFCDMO CN1CCN(c2ccc(C[N@@H+]3CCC[C@@]3(C)CCCO)cc2)CC1 ZINC000809756124 1282458453 /nfs/dbraw/zinc/45/84/53/1282458453.db2.gz 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C[C@@H]1C[N@H+](C2CCOCC2)CCN1Cc1cc(Cl)c(F)cc1O ZINC000816594190 1288209866 /nfs/dbraw/zinc/20/98/66/1288209866.db2.gz SNESSTIXZOLLKC-GFCCVEGCSA-N 1 1 342.842 2.870 20 10 EFCDMO O=[N+]([O-])c1cc(C[NH+]2CC3(C2)CCOC3)ccc1N1CCCCC1 ZINC000816669083 1288250278 /nfs/dbraw/zinc/25/02/78/1288250278.db2.gz GKKYFQRUWJHZLW-UHFFFAOYSA-N 1 1 331.416 2.807 20 10 EFCDMO CN(C)c1ccc(CNC(=O)C[N@@H+](C)C2CC(OC(C)(C)C)C2)cc1 ZINC000817288082 1288504660 /nfs/dbraw/zinc/50/46/60/1288504660.db2.gz UUAIVQFNNFTLOV-UHFFFAOYSA-N 1 1 347.503 2.647 20 10 EFCDMO CC(=O)N[C@@H]1CC[N@@H+](Cc2c3c(ccc2O)oc2c3CCCC2)C1 ZINC000817368962 1288562174 /nfs/dbraw/zinc/56/21/74/1288562174.db2.gz VWRGXFDURCQQKQ-CYBMUJFWSA-N 1 1 328.412 2.728 20 10 EFCDMO Cc1cc(C[N@H+]2CCC[C@@H](N3CCOCC3)CC2)ccc1N(C)C ZINC000852008929 1299499765 /nfs/dbraw/zinc/49/97/65/1299499765.db2.gz JVROXNBGKIJWKO-LJQANCHMSA-N 1 1 331.504 2.748 20 10 EFCDMO CC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000817414693 1288592853 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EFCDMO COC(=O)c1c(C[N@H+]2CCC[C@H](O)[C@@H](C)C2)c2ccccc2n1C ZINC001232402506 1312693979 /nfs/dbraw/zinc/69/39/79/1312693979.db2.gz OWRIUYUNJBYCDF-GUYCJALGSA-N 1 1 330.428 2.558 20 10 EFCDMO COC(=O)c1c(C[N@H+]2CC[C@H]3CCCO[C@H]3C2)c2ccccc2n1C ZINC001232402243 1312694030 /nfs/dbraw/zinc/69/40/30/1312694030.db2.gz JSMOULCTDPNNIL-KDOFPFPSSA-N 1 1 342.439 2.966 20 10 EFCDMO COC(=O)c1c(C[N@H+]2CCC[C@](C)(O)[C@H](C)C2)c2ccccc2n1C ZINC001232402322 1312694147 /nfs/dbraw/zinc/69/41/47/1312694147.db2.gz LNOYFMQPJKJNRD-VLIAUNLRSA-N 1 1 344.455 2.948 20 10 EFCDMO CC[C@H](NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1nccn1C ZINC000903448588 1312694767 /nfs/dbraw/zinc/69/47/67/1312694767.db2.gz QHCIZRKLGMAEHU-ZWKOTPCHSA-N 1 1 329.492 2.830 20 10 EFCDMO COC(=O)c1c(C[N@@H+](C)CC2CCOCC2)c2ccccc2n1C ZINC001232403171 1312694782 /nfs/dbraw/zinc/69/47/82/1312694782.db2.gz VVLRGBXHQYFAML-UHFFFAOYSA-N 1 1 330.428 2.823 20 10 EFCDMO COC(=O)c1c(CN2CC[N@H+]3CCCC[C@@H]3C2)c2ccccc2n1C ZINC001232404868 1312694962 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EFCDMO CC(C)n1nc(CN(C)C)c2c1C[N@@H+](Cc1ccccc1O)CC2 ZINC001203551722 1312954138 /nfs/dbraw/zinc/95/41/38/1312954138.db2.gz LNTYLGNZPOZXME-UHFFFAOYSA-N 1 1 328.460 2.790 20 10 EFCDMO Oc1ccccc1C[N@H+]1CCN2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001203552926 1312954485 /nfs/dbraw/zinc/95/44/85/1312954485.db2.gz VQTYCCBTSRFULD-IEBWSBKVSA-N 1 1 342.414 2.869 20 10 EFCDMO Oc1ccccc1CN1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001203552926 1312954489 /nfs/dbraw/zinc/95/44/89/1312954489.db2.gz VQTYCCBTSRFULD-IEBWSBKVSA-N 1 1 342.414 2.869 20 10 EFCDMO Oc1ccccc1CN1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001203552926 1312954493 /nfs/dbraw/zinc/95/44/93/1312954493.db2.gz VQTYCCBTSRFULD-IEBWSBKVSA-N 1 1 342.414 2.869 20 10 EFCDMO O=C1c2cccc(F)c2CN1[C@@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC001203561810 1312956827 /nfs/dbraw/zinc/95/68/27/1312956827.db2.gz ZXMXPLSXDVLHSB-CQSZACIVSA-N 1 1 326.371 2.762 20 10 EFCDMO COc1cccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)c1O ZINC001203589522 1312964520 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COc1cccc(C[N@H+]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)c1O ZINC001203589994 1312965165 /nfs/dbraw/zinc/96/51/65/1312965165.db2.gz PYAHYOPKFGTHLH-HIFRSBDPSA-N 1 1 348.443 2.842 20 10 EFCDMO COc1cccc(C[N@H+]2CCC[C@@H](Oc3nccc(C)n3)C2)c1O ZINC001203601568 1312967674 /nfs/dbraw/zinc/96/76/74/1312967674.db2.gz ANRIETHDWNIMPX-OAHLLOKOSA-N 1 1 329.400 2.543 20 10 EFCDMO CCOc1cccc(C[N@H+]2CC[C@@H](C)[C@](O)(C(F)(F)F)C2)c1O ZINC001203602439 1312967927 /nfs/dbraw/zinc/96/79/27/1312967927.db2.gz XDJHODHTFNRWGL-ABAIWWIYSA-N 1 1 333.350 2.926 20 10 EFCDMO CCOc1cccc(C[N@H+]2Cc3nn(CC)cc3[C@H](COC)C2)c1O ZINC001203603960 1312968380 /nfs/dbraw/zinc/96/83/80/1312968380.db2.gz XZIWKLBZQPKTIU-HNNXBMFYSA-N 1 1 345.443 2.753 20 10 EFCDMO CCOc1cccc(C[N@@H+]2Cc3nn(CC)cc3[C@H](COC)C2)c1O ZINC001203603960 1312968383 /nfs/dbraw/zinc/96/83/83/1312968383.db2.gz XZIWKLBZQPKTIU-HNNXBMFYSA-N 1 1 345.443 2.753 20 10 EFCDMO CCOc1cccc(C[N@H+]2CCN(C)c3nc(C)ccc3C2)c1O ZINC001203608139 1312969643 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CCOc1cccc(C[N@H+]2CC[C@H](Oc3nccnc3C)C2)c1O ZINC001203617134 1312972669 /nfs/dbraw/zinc/97/26/69/1312972669.db2.gz IZDQFMNGZPAWEI-HNNXBMFYSA-N 1 1 329.400 2.543 20 10 EFCDMO COc1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c(O)c1 ZINC001203627733 1312974930 /nfs/dbraw/zinc/97/49/30/1312974930.db2.gz MIXIZGLLFGFKEH-KDURUIRLSA-N 1 1 338.451 2.965 20 10 EFCDMO COc1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c(O)c1 ZINC001203627733 1312974932 /nfs/dbraw/zinc/97/49/32/1312974932.db2.gz MIXIZGLLFGFKEH-KDURUIRLSA-N 1 1 338.451 2.965 20 10 EFCDMO COc1ccc(CN2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c(O)c1 ZINC001203627733 1312974936 /nfs/dbraw/zinc/97/49/36/1312974936.db2.gz MIXIZGLLFGFKEH-KDURUIRLSA-N 1 1 338.451 2.965 20 10 EFCDMO COc1ccc(CN2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c(O)c1 ZINC001203627733 1312974938 /nfs/dbraw/zinc/97/49/38/1312974938.db2.gz MIXIZGLLFGFKEH-KDURUIRLSA-N 1 1 338.451 2.965 20 10 EFCDMO COc1ccc(C[N@H+]2CC[C@]3(CCCN3C(=O)C(C)C)C2)c(O)c1 ZINC001203629951 1312975504 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2.676 20 10 EFCDMO COC(=O)C[C@H]1CC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC001203648804 1312980658 /nfs/dbraw/zinc/98/06/58/1312980658.db2.gz VHXDSOPTELACFX-SNVBAGLBSA-N 1 1 328.206 2.540 20 10 EFCDMO CCC[N@@H+]1C[C@H]2CN(Cc3cc(Br)ccc3O)C[C@H]2C1 ZINC001203650618 1312981269 /nfs/dbraw/zinc/98/12/69/1312981269.db2.gz YAWTTYCXORBDHO-OKILXGFUSA-N 1 1 339.277 2.928 20 10 EFCDMO CCN(C)c1ncnc2c1CC[N@@H+](Cc1cc(Cl)ccc1O)CC2 ZINC001203655965 1312982286 /nfs/dbraw/zinc/98/22/86/1312982286.db2.gz GSIOYMFGUFSYNX-UHFFFAOYSA-N 1 1 346.862 2.893 20 10 EFCDMO Oc1ccc(Cl)cc1C[N@H+]1C[C@H]2CCN(c3ncccn3)C[C@H]2C1 ZINC001203656550 1312982821 /nfs/dbraw/zinc/98/28/21/1312982821.db2.gz SDJXDQPIUZIHDY-UKRRQHHQSA-N 1 1 344.846 2.794 20 10 EFCDMO CCN(C)C(=O)CO[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC001203665805 1312984004 /nfs/dbraw/zinc/98/40/04/1312984004.db2.gz VIXNRANUKFYAEO-OAHLLOKOSA-N 1 1 340.851 2.505 20 10 EFCDMO CN(CC[N@@H+](C)Cc1ccccc1)C(=O)c1ccc(O)c(O)c1Cl ZINC001193232425 1293205907 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20 10 EFCDMO COc1ccc(O)c(C[N@H+]2CCC[C@H]3[C@@H]2CN3C(=O)OC(C)(C)C)c1 ZINC001203671752 1312985844 /nfs/dbraw/zinc/98/58/44/1312985844.db2.gz WLWJWOSDFMDRRD-HOTGVXAUSA-N 1 1 348.443 2.985 20 10 EFCDMO COc1ccc(O)c(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)c1 ZINC001203671556 1312985945 /nfs/dbraw/zinc/98/59/45/1312985945.db2.gz RPNNFZWDZMDPGV-GASCZTMLSA-N 1 1 348.443 2.985 20 10 EFCDMO COc1ccc(O)c(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)c1 ZINC001203671556 1312985948 /nfs/dbraw/zinc/98/59/48/1312985948.db2.gz RPNNFZWDZMDPGV-GASCZTMLSA-N 1 1 348.443 2.985 20 10 EFCDMO Cn1cc2c(n1)CC[N@@H+](Cc1cccc(OC(F)(F)F)c1O)C2 ZINC001233761375 1312986116 /nfs/dbraw/zinc/98/61/16/1312986116.db2.gz UDRBOWAJDQPJNG-UHFFFAOYSA-N 1 1 327.306 2.583 20 10 EFCDMO Cn1cc2c(n1)CC[N@H+](Cc1cccc(OC(F)(F)F)c1O)C2 ZINC001233761375 1312986118 /nfs/dbraw/zinc/98/61/18/1312986118.db2.gz UDRBOWAJDQPJNG-UHFFFAOYSA-N 1 1 327.306 2.583 20 10 EFCDMO COCC[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1cc(OC)ccc1O)C2 ZINC001203673463 1312986375 /nfs/dbraw/zinc/98/63/75/1312986375.db2.gz ZQXQKPMVFXBVNK-BEFAXECRSA-N 1 1 335.444 2.808 20 10 EFCDMO CC(=O)N1CCC([N@@H+](C)Cc2cccc(OC(F)(F)F)c2O)CC1 ZINC001233761560 1312986383 /nfs/dbraw/zinc/98/63/83/1312986383.db2.gz VKWIAEXHUWNTGP-UHFFFAOYSA-N 1 1 346.349 2.734 20 10 EFCDMO COc1ccc(O)c(C[N@H+]2CC[C@H]3[C@H]2CC(=O)N3c2ccsc2)c1 ZINC001203673147 1312986611 /nfs/dbraw/zinc/98/66/11/1312986611.db2.gz OTXOFRCUDOBQFY-JKSUJKDBSA-N 1 1 344.436 2.842 20 10 EFCDMO Cc1noc([C@@H]2CC[N@@H+](Cc3cccc(OC(F)(F)F)c3O)C2)n1 ZINC001233768219 1312987796 /nfs/dbraw/zinc/98/77/96/1312987796.db2.gz MLTBDYNBGXZZJX-LLVKDONJSA-N 1 1 343.305 2.972 20 10 EFCDMO COc1ccc(O)c(C[NH+]2CCN(C(=O)c3cccc(C)c3)CC2)c1 ZINC001203678677 1312988059 /nfs/dbraw/zinc/98/80/59/1312988059.db2.gz RANXWXZYCVQZGS-UHFFFAOYSA-N 1 1 340.423 2.667 20 10 EFCDMO COc1ccc(O)c(CN2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001203678024 1312988196 /nfs/dbraw/zinc/98/81/96/1312988196.db2.gz FSHFMLJVZODTCY-RTBURBONSA-N 1 1 338.451 2.965 20 10 EFCDMO COc1ccc(O)c(C[NH+]2C[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)c1 ZINC001203678024 1312988198 /nfs/dbraw/zinc/98/81/98/1312988198.db2.gz FSHFMLJVZODTCY-RTBURBONSA-N 1 1 338.451 2.965 20 10 EFCDMO COc1ccc(O)c(C[N@H+]2CCC[C@@H](Oc3cccc(OC)n3)C2)c1 ZINC001203681377 1312988916 /nfs/dbraw/zinc/98/89/16/1312988916.db2.gz VKWHXVBMYAPAEY-MRXNPFEDSA-N 1 1 344.411 2.848 20 10 EFCDMO Oc1c(F)cc(F)cc1C[NH2+]Cc1cccc(CN2CCOCC2)c1 ZINC000882902108 1293377592 /nfs/dbraw/zinc/37/75/92/1293377592.db2.gz YXZRPOBZQVKSSH-UHFFFAOYSA-N 1 1 348.393 2.792 20 10 EFCDMO C[C@H](CNC(=O)c1cc(O)c(O)c(Cl)c1)CC(C)(C)CC[NH3+] ZINC001193633980 1293378560 /nfs/dbraw/zinc/37/85/60/1293378560.db2.gz NFBCDUJMGFEVAX-JTQLQIEISA-N 1 1 328.840 2.882 20 10 EFCDMO C[C@](O)(C[NH2+]Cc1cc(Br)cc(F)c1O)c1ccco1 ZINC000883019037 1293432018 /nfs/dbraw/zinc/43/20/18/1293432018.db2.gz XTGRZOZDXMYEAV-AWEZNQCLSA-N 1 1 344.180 2.884 20 10 EFCDMO COc1ccccc1N1CC[C@@H]([NH2+]Cc2cc(F)cc(F)c2O)C1=O ZINC000883038596 1293438828 /nfs/dbraw/zinc/43/88/28/1293438828.db2.gz MYCYLMIHFZNPIU-CQSZACIVSA-N 1 1 348.349 2.574 20 10 EFCDMO Cc1[nH+]c(N2CCOCC2)ccc1NCc1cc(F)cc(F)c1O ZINC000883073479 1293450695 /nfs/dbraw/zinc/45/06/95/1293450695.db2.gz QVJRBMQPBBTVHG-UHFFFAOYSA-N 1 1 335.354 2.823 20 10 EFCDMO CCS(=O)(=O)c1ccc(C[NH2+]Cc2cc(F)cc(F)c2O)cc1 ZINC000883084247 1293454793 /nfs/dbraw/zinc/45/47/93/1293454793.db2.gz LRKMBZFFIKQNEZ-UHFFFAOYSA-N 1 1 341.379 2.754 20 10 EFCDMO CCCCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1c(O)cc(O)cc1O ZINC001273670356 1293515513 /nfs/dbraw/zinc/51/55/13/1293515513.db2.gz JKHOZMPYFPPGJM-IBGZPJMESA-N 1 1 348.443 2.561 20 10 EFCDMO COC[C@H]([NH2+]Cc1ccc(N2CCN(C)CC2)cc1)C1CCCC1 ZINC000883290425 1293534382 /nfs/dbraw/zinc/53/43/82/1293534382.db2.gz UTBPBCCDTNYOKH-FQEVSTJZSA-N 1 1 331.504 2.733 20 10 EFCDMO C[C@@H](F)CC[N@@H+](C)[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001194367614 1293598970 /nfs/dbraw/zinc/59/89/70/1293598970.db2.gz JCEQHJJWUXBTNF-DOMZBBRYSA-N 1 1 349.410 2.743 20 10 EFCDMO COCCOc1ccc(N2CC[NH+](Cc3cccc(O)c3)CC2)cc1 ZINC001203867871 1313036252 /nfs/dbraw/zinc/03/62/52/1313036252.db2.gz SIXLQSDSLMQYHI-UHFFFAOYSA-N 1 1 342.439 2.740 20 10 EFCDMO Oc1c(F)cc(Cl)cc1CN1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000775650037 1293905167 /nfs/dbraw/zinc/90/51/67/1293905167.db2.gz XMZQXCCGDBOPOF-OAHLLOKOSA-N 1 1 342.842 2.871 20 10 EFCDMO Oc1c(F)cc(Cl)cc1CN1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000775650037 1293905172 /nfs/dbraw/zinc/90/51/72/1293905172.db2.gz XMZQXCCGDBOPOF-OAHLLOKOSA-N 1 1 342.842 2.871 20 10 EFCDMO CC(C)(C)OC(=O)N1CC[C@]12CC[N@@H+](Cc1ccc(O)c(O)c1)C2 ZINC001203874890 1313038481 /nfs/dbraw/zinc/03/84/81/1313038481.db2.gz DWUZBEYYORMQNV-SFHVURJKSA-N 1 1 334.416 2.683 20 10 EFCDMO CN1CCN(c2ccc(C[N@@H+]3CCC[C@@H](c4ncc[nH]4)C3)cc2)CC1 ZINC000775659627 1293943419 /nfs/dbraw/zinc/94/34/19/1293943419.db2.gz ZOQNUOZPTOISQC-GOSISDBHSA-N 1 1 339.487 2.541 20 10 EFCDMO CN1CCN(c2ccc(C[N@H+]3CCC[C@@H](c4ncc[nH]4)C3)cc2)CC1 ZINC000775659627 1293943422 /nfs/dbraw/zinc/94/34/22/1293943422.db2.gz ZOQNUOZPTOISQC-GOSISDBHSA-N 1 1 339.487 2.541 20 10 EFCDMO O=C1C[C@@H]2[C@H](CC[N@@H+]2Cc2ccc(O)c(O)c2)N1c1ccsc1 ZINC001203876897 1313039448 /nfs/dbraw/zinc/03/94/48/1313039448.db2.gz LNTVBOVTQFSKKF-UONOGXRCSA-N 1 1 330.409 2.539 20 10 EFCDMO Oc1ccc(C[NH+]2CCN(c3ccc4ccccc4n3)CC2)cc1O ZINC001203880729 1313039681 /nfs/dbraw/zinc/03/96/81/1313039681.db2.gz XLNDBPUSHZBBPL-UHFFFAOYSA-N 1 1 335.407 2.968 20 10 EFCDMO CCOC(=O)[C@H]1C[N@@H+](Cc2ccc(O)c(O)c2)C[C@H]2CCCC[C@@H]12 ZINC001203878867 1313039748 /nfs/dbraw/zinc/03/97/48/1313039748.db2.gz WDXWBUMREFPZOA-OAGGEKHMSA-N 1 1 333.428 2.899 20 10 EFCDMO CC(C)(C)OC(=O)N1CC([C@H]2CC[N@@H+](Cc3ccc(O)c(O)c3)C2)C1 ZINC001203878869 1313039770 /nfs/dbraw/zinc/03/97/70/1313039770.db2.gz WPCRMXYBLDBOJU-AWEZNQCLSA-N 1 1 348.443 2.787 20 10 EFCDMO NC(=O)[C@H](c1ccccc1)[C@H]1CCCC[N@H+]1Cc1ccc(O)c(O)c1 ZINC001203879292 1313039802 /nfs/dbraw/zinc/03/98/02/1313039802.db2.gz HUJWBDFGMUMDQA-VQIMIIECSA-N 1 1 340.423 2.721 20 10 EFCDMO C[N@@H+](Cc1ccc(O)c(O)c1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001203878150 1313040004 /nfs/dbraw/zinc/04/00/04/1313040004.db2.gz PXEUYDUNIHMUCJ-AWEZNQCLSA-N 1 1 336.432 2.929 20 10 EFCDMO CC[N@@H+]([C@@H]1CCOC1)C1CCN(Cc2ccc(N(C)C)cc2)CC1 ZINC001203933708 1313050662 /nfs/dbraw/zinc/05/06/62/1313050662.db2.gz GPRQSAZHYMUIAW-HXUWFJFHSA-N 1 1 331.504 2.828 20 10 EFCDMO CN(C)c1ccc(C[N@@H+]2C[C@H]3CN(Cc4ccccn4)C[C@H]3C2)cc1 ZINC001203932149 1313050197 /nfs/dbraw/zinc/05/01/97/1313050197.db2.gz UCLCVQQWYYMDQI-KDURUIRLSA-N 1 1 336.483 2.711 20 10 EFCDMO CN(C)c1ccc(C[N@H+]2C[C@@H](c3ccccc3)[C@@]3(CCNC3=O)C2)cc1 ZINC001203932699 1313050916 /nfs/dbraw/zinc/05/09/16/1313050916.db2.gz AFUQUCPTVVRPBM-RBBKRZOGSA-N 1 1 349.478 2.858 20 10 EFCDMO COc1cc(O[C@@H]2CC[N@@H+](Cc3ccc(N(C)C)cc3)C2)ccn1 ZINC001203937308 1313051677 /nfs/dbraw/zinc/05/16/77/1313051677.db2.gz UOZPMPITHDBBPY-GOSISDBHSA-N 1 1 327.428 2.810 20 10 EFCDMO CCN(CC)c1ccc(C[N@H+]2C[C@H]3CN(CC4CC4)C(=O)[C@H]3C2)cc1 ZINC001203940051 1313051779 /nfs/dbraw/zinc/05/17/79/1313051779.db2.gz HZLQSTSTGKPMKX-ICSRJNTNSA-N 1 1 341.499 2.833 20 10 EFCDMO COc1cc(C)nc(O[C@H]2CC[N@@H+](Cc3ccc(N(C)C)cc3)C2)n1 ZINC001203936831 1313051831 /nfs/dbraw/zinc/05/18/31/1313051831.db2.gz OXIHDSUMJNUFJL-KRWDZBQOSA-N 1 1 342.443 2.513 20 10 EFCDMO COc1ccnc(O[C@H]2CC[N@@H+](Cc3ccc(N(C)C)cc3)C2)c1 ZINC001203936864 1313051946 /nfs/dbraw/zinc/05/19/46/1313051946.db2.gz PXMZZPWWWYEFIO-SFHVURJKSA-N 1 1 327.428 2.810 20 10 EFCDMO COc1ccc(N2CC[NH+](CCCNCc3ccc(C)o3)CC2)cc1 ZINC000102560385 1294322640 /nfs/dbraw/zinc/32/26/40/1294322640.db2.gz DUSZNIBBFODDAB-UHFFFAOYSA-N 1 1 343.471 2.899 20 10 EFCDMO CC(C)CO[C@@H]1CC[N@H+](Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000775737866 1294345162 /nfs/dbraw/zinc/34/51/62/1294345162.db2.gz NVADHOALQAWBBK-HXUWFJFHSA-N 1 1 331.504 2.685 20 10 EFCDMO CC(C)CO[C@@H]1CC[N@@H+](Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000775737866 1294345166 /nfs/dbraw/zinc/34/51/66/1294345166.db2.gz NVADHOALQAWBBK-HXUWFJFHSA-N 1 1 331.504 2.685 20 10 EFCDMO COc1ccc(N2CC[NH+](Cc3ccc(O)cc3)CC2)c(OC)c1 ZINC001204099294 1313081738 /nfs/dbraw/zinc/08/17/38/1313081738.db2.gz SVLGHYXERIJEMU-UHFFFAOYSA-N 1 1 328.412 2.732 20 10 EFCDMO O=[N+]([O-])c1ncccc1C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000886064837 1294655437 /nfs/dbraw/zinc/65/54/37/1294655437.db2.gz JMVBUIKATVLXLO-INIZCTEOSA-N 1 1 343.383 2.877 20 10 EFCDMO O=[N+]([O-])c1ncccc1C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000886064837 1294655441 /nfs/dbraw/zinc/65/54/41/1294655441.db2.gz JMVBUIKATVLXLO-INIZCTEOSA-N 1 1 343.383 2.877 20 10 EFCDMO CN1CCO[C@]2(CCC[N@@H+](Cc3cc(C(C)(C)C)ccc3O)C2)C1 ZINC001276445009 1313092983 /nfs/dbraw/zinc/09/29/83/1313092983.db2.gz JJJGXVGVHPBTDU-HXUWFJFHSA-N 1 1 332.488 2.986 20 10 EFCDMO CCN1C[C@@H](C)[N@H+](Cc2ccc(N(C)C)c3ccccc23)CC1=O ZINC001204240510 1313106556 /nfs/dbraw/zinc/10/65/56/1313106556.db2.gz WDKRSNOPUAPKHC-OAHLLOKOSA-N 1 1 325.456 2.958 20 10 EFCDMO CCN1C[C@@H](C)[N@@H+](Cc2ccc(N(C)C)c3ccccc23)CC1=O ZINC001204240510 1313106558 /nfs/dbraw/zinc/10/65/58/1313106558.db2.gz WDKRSNOPUAPKHC-OAHLLOKOSA-N 1 1 325.456 2.958 20 10 EFCDMO CCOC(=O)[C@@H]1C[N@H+](Cc2ccc(N(C)C)c3ccccc23)CCO1 ZINC001204242981 1313106685 /nfs/dbraw/zinc/10/66/85/1313106685.db2.gz VAKTUMXSYGCTOE-IBGZPJMESA-N 1 1 342.439 2.670 20 10 EFCDMO CCOC(=O)[C@@H]1C[N@@H+](Cc2ccc(N(C)C)c3ccccc23)CCO1 ZINC001204242981 1313106688 /nfs/dbraw/zinc/10/66/88/1313106688.db2.gz VAKTUMXSYGCTOE-IBGZPJMESA-N 1 1 342.439 2.670 20 10 EFCDMO CCc1nc(C)c(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)[nH]1 ZINC001203243362 1294911599 /nfs/dbraw/zinc/91/15/99/1294911599.db2.gz JSNSKTRUSWBUDN-UHFFFAOYSA-N 1 1 328.460 2.749 20 10 EFCDMO C[C@@H](NC[C@@H](O)C[N@H+](C)Cc1ccccc1)c1ccc(N(C)C)cc1 ZINC000775830925 1294921373 /nfs/dbraw/zinc/92/13/73/1294921373.db2.gz NKJRLJWYUHPATJ-DYESRHJHSA-N 1 1 341.499 2.896 20 10 EFCDMO C[C@@H](NC[C@@H](O)C[N@@H+](C)Cc1ccccc1)c1ccc(N(C)C)cc1 ZINC000775830925 1294921381 /nfs/dbraw/zinc/92/13/81/1294921381.db2.gz NKJRLJWYUHPATJ-DYESRHJHSA-N 1 1 341.499 2.896 20 10 EFCDMO CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](Cc2ccc(O)cc2O)CC12CC2 ZINC001204272027 1313112802 /nfs/dbraw/zinc/11/28/02/1313112802.db2.gz HOPWMTDAGUKOLA-OAHLLOKOSA-N 1 1 334.416 2.587 20 10 EFCDMO Cc1ccc(CN2C[C@H]3C[NH+](Cc4ccc(O)cc4O)C[C@@H]3C2)cc1 ZINC001204272639 1313113433 /nfs/dbraw/zinc/11/34/33/1313113433.db2.gz FGMKEXOUQIJDNL-OALUTQOASA-N 1 1 338.451 2.970 20 10 EFCDMO Oc1ccc(C[N@H+]2CCC[C@H](c3noc(C(F)(F)F)n3)C2)c(O)c1 ZINC001204275468 1313113537 /nfs/dbraw/zinc/11/35/37/1313113537.db2.gz REGPSALXJAAVOO-JTQLQIEISA-N 1 1 343.305 2.879 20 10 EFCDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(Cc1ccc(O)cc1O)[C@@H]2C ZINC001204273450 1313113738 /nfs/dbraw/zinc/11/37/38/1313113738.db2.gz BTGHHOLABWDANS-CQSZACIVSA-N 1 1 344.459 2.711 20 10 EFCDMO CC(C)(C)OC(=O)N1CC([C@H]2CC[N@@H+](Cc3ccc(O)cc3O)C2)C1 ZINC001204276745 1313114306 /nfs/dbraw/zinc/11/43/06/1313114306.db2.gz PVDRDSYYBZYPFO-ZDUSSCGKSA-N 1 1 348.443 2.787 20 10 EFCDMO CC(C)(C)OC(=O)N1CC[C@]12CC[N@@H+](Cc1ccc(O)cc1O)C2 ZINC001204276052 1313114330 /nfs/dbraw/zinc/11/43/30/1313114330.db2.gz FCVGHIXEOOZPLV-SFHVURJKSA-N 1 1 334.416 2.683 20 10 EFCDMO CC1(C)[N@@H+](Cc2ccc(O)cc2O)CC[C@]12c1ccccc1OC2=O ZINC001204277488 1313114850 /nfs/dbraw/zinc/11/48/50/1313114850.db2.gz FCMRMJQDKHERNH-HXUWFJFHSA-N 1 1 339.391 2.939 20 10 EFCDMO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(O)cc3O)C[C@@H]12 ZINC001204282714 1313115879 /nfs/dbraw/zinc/11/58/79/1313115879.db2.gz TZFDVEKIJOOPCH-DAXOMENPSA-N 1 1 348.443 2.833 20 10 EFCDMO C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1c([O-])cccc1F ZINC000886587662 1295035560 /nfs/dbraw/zinc/03/55/60/1295035560.db2.gz CKYSSJCNTBTWJR-RHSMWYFYSA-N 1 1 344.430 2.949 20 10 EFCDMO COc1ccc(C[NH2+][C@H](CNC(C)=O)c2ccccc2OC)cc1C ZINC001198461855 1295056227 /nfs/dbraw/zinc/05/62/27/1295056227.db2.gz BTADSBODUBDXII-GOSISDBHSA-N 1 1 342.439 2.979 20 10 EFCDMO COC[C@H]1Cn2ccnc2C[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001204327626 1313123153 /nfs/dbraw/zinc/12/31/53/1313123153.db2.gz DHICZDAVUULREL-GOSISDBHSA-N 1 1 340.471 2.762 20 10 EFCDMO COC[C@H]1Cn2ccnc2C[N@@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001204327626 1313123155 /nfs/dbraw/zinc/12/31/55/1313123155.db2.gz DHICZDAVUULREL-GOSISDBHSA-N 1 1 340.471 2.762 20 10 EFCDMO c1cnc(N2CC[C@@]23CC[N@H+](Cc2ccc(N4CCCC4)cc2)C3)nc1 ZINC001204327887 1313123394 /nfs/dbraw/zinc/12/33/94/1313123394.db2.gz LQDNUKFZCFXQGM-OAQYLSRUSA-N 1 1 349.482 2.932 20 10 EFCDMO C[C@H]([NH2+]CC1(S(C)(=O)=O)CCCCC1)c1c(O)cccc1F ZINC000886638099 1295077644 /nfs/dbraw/zinc/07/76/44/1295077644.db2.gz LSRFJWXRLWLLHY-LBPRGKRZSA-N 1 1 329.437 2.929 20 10 EFCDMO COc1cc(Br)cc(C[N@H+]2CCC[C@]3(CCO3)C2)c1O ZINC001204339722 1313124954 /nfs/dbraw/zinc/12/49/54/1313124954.db2.gz QKKYGWSMYKJUEF-HNNXBMFYSA-N 1 1 342.233 2.918 20 10 EFCDMO COc1cc(Br)cc(C[N@H+]2CC[C@@H](C)[C@@](C)(O)C2)c1O ZINC001204336383 1313125132 /nfs/dbraw/zinc/12/51/32/1313125132.db2.gz MPJOOQGJKOCYNQ-BMIGLBTASA-N 1 1 344.249 2.756 20 10 EFCDMO COc1cc(Br)cc(C[N@H+]2CC[C@@](C)(O)[C@@H](C)C2)c1O ZINC001204336414 1313125213 /nfs/dbraw/zinc/12/52/13/1313125213.db2.gz NTIBDAQAXYTUTI-ZUZCIYMTSA-N 1 1 344.249 2.756 20 10 EFCDMO COc1cc(Br)cc(C[N@H+]2CCC[C@@H](O)[C@@H](C)C2)c1O ZINC001204335858 1313125248 /nfs/dbraw/zinc/12/52/48/1313125248.db2.gz AWOOIAHPLLMLCR-GXFFZTMASA-N 1 1 344.249 2.756 20 10 EFCDMO C[C@@H]([NH2+]CC(=O)Nc1ccc2c(c1)OCCO2)c1c(O)cccc1F ZINC000886643561 1295085939 /nfs/dbraw/zinc/08/59/39/1295085939.db2.gz ZDRWPTDGWXKYSC-LLVKDONJSA-N 1 1 346.358 2.592 20 10 EFCDMO COc1ccccc1O[C@@H]1CC[N@H+](Cc2cc(O)c(O)c(OC)c2)C1 ZINC001204341871 1313125658 /nfs/dbraw/zinc/12/56/58/1313125658.db2.gz HAPLWIDHNQIJIY-CQSZACIVSA-N 1 1 345.395 2.768 20 10 EFCDMO COc1ccccc1O[C@@H]1CC[N@@H+](Cc2cc(O)c(O)c(OC)c2)C1 ZINC001204341871 1313125660 /nfs/dbraw/zinc/12/56/60/1313125660.db2.gz HAPLWIDHNQIJIY-CQSZACIVSA-N 1 1 345.395 2.768 20 10 EFCDMO COc1cc(C[NH+]2CCN(c3cccc(C)c3)CC2)cc(O)c1O ZINC001204341445 1313125949 /nfs/dbraw/zinc/12/59/49/1313125949.db2.gz CLYFWIWHFSWBCJ-UHFFFAOYSA-N 1 1 328.412 2.737 20 10 EFCDMO COc1cc(C[N@H+]2CCCN(c3ncccc3C)CC2)cc(O)c1O ZINC001204344187 1313126377 /nfs/dbraw/zinc/12/63/77/1313126377.db2.gz ZXIAACFTKOUEKI-UHFFFAOYSA-N 1 1 343.427 2.522 20 10 EFCDMO COc1cc(C[NH+]2CCC(C(=O)OC(C)(C)C)CC2)cc(O)c1O ZINC001204344888 1313126733 /nfs/dbraw/zinc/12/67/33/1313126733.db2.gz KJOOJONUGNLOGK-UHFFFAOYSA-N 1 1 337.416 2.660 20 10 EFCDMO CCOC(=O)C[C@@H]1CC[N@@H+](Cc2cc(O)c(O)c(OC)c2)C[C@@H]1C ZINC001204350539 1313127556 /nfs/dbraw/zinc/12/75/56/1313127556.db2.gz IHNSEDIFPCBCRB-JSGCOSHPSA-N 1 1 337.416 2.518 20 10 EFCDMO COc1cc(C[N@@H+]2CCC[C@@H](Oc3cccc(C)n3)C2)cc(O)c1O ZINC001204351834 1313128278 /nfs/dbraw/zinc/12/82/78/1313128278.db2.gz WWHOQPOGOVZHDF-OAHLLOKOSA-N 1 1 344.411 2.853 20 10 EFCDMO COc1cc(C[N@H+]2CCC[C@@H](Oc3cccc(C)n3)C2)cc(O)c1O ZINC001204351834 1313128279 /nfs/dbraw/zinc/12/82/79/1313128279.db2.gz WWHOQPOGOVZHDF-OAHLLOKOSA-N 1 1 344.411 2.853 20 10 EFCDMO COc1ccc2ccc(O)c(C[N@@H+](C)C3CCN(C(C)=O)CC3)c2c1 ZINC001234553086 1313155616 /nfs/dbraw/zinc/15/56/16/1313155616.db2.gz UJNNQJSDZCORSQ-UHFFFAOYSA-N 1 1 342.439 2.997 20 10 EFCDMO COc1cc(Br)cc(CN2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c1O ZINC000775984899 1295563084 /nfs/dbraw/zinc/56/30/84/1295563084.db2.gz HSMNOIJVXHEHBM-MNOVXSKESA-N 1 1 343.265 2.688 20 10 EFCDMO COc1cc(Br)cc(CN2CC[N@@H+](C)[C@H](C)[C@H]2C)c1O ZINC000775987821 1295590069 /nfs/dbraw/zinc/59/00/69/1295590069.db2.gz WKWMKZRNTSUNMA-GHMZBOCLSA-N 1 1 343.265 2.688 20 10 EFCDMO CNC(=O)N[C@H]1CCC[N@@H+](Cc2cccc(-c3ccccc3)c2O)C1 ZINC001234998699 1313219554 /nfs/dbraw/zinc/21/95/54/1313219554.db2.gz NCKVHZLQDBVRHL-KRWDZBQOSA-N 1 1 339.439 2.953 20 10 EFCDMO C[C@@]1(CO)CC[N@@H+](Cc2cccc(-c3ccccc3)c2O)C[C@@H]1O ZINC001234997785 1313219672 /nfs/dbraw/zinc/21/96/72/1313219672.db2.gz DZNRGUNWWMFVOJ-ICSRJNTNSA-N 1 1 327.424 2.624 20 10 EFCDMO Cn1cc(C[NH+]2CCN(c3ccc(OC(F)(F)F)cc3)CC2)cn1 ZINC001205030705 1313224732 /nfs/dbraw/zinc/22/47/32/1313224732.db2.gz MMKZERNOZUIYPV-UHFFFAOYSA-N 1 1 340.349 2.641 20 10 EFCDMO Oc1c(Br)cc(Cl)cc1CN1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001235044474 1313230571 /nfs/dbraw/zinc/23/05/71/1313230571.db2.gz LCLKTPFNRVGKEY-NWDGAFQWSA-N 1 1 331.641 2.744 20 10 EFCDMO O=C(Cc1ccsc1)N1C[C@@H]2CC[N@H+](Cc3ccccc3O)[C@@H]2C1 ZINC001275267078 1296246170 /nfs/dbraw/zinc/24/61/70/1296246170.db2.gz XZVZXDJHIZPRKX-DOTOQJQBSA-N 1 1 342.464 2.729 20 10 EFCDMO Oc1ccccc1C[N@H+]1CCC[C@]2(CCN(Cc3cn[nH]c3)C2)C1 ZINC001275267474 1296246404 /nfs/dbraw/zinc/24/64/04/1296246404.db2.gz PIGMONUSOJXQGB-IBGZPJMESA-N 1 1 326.444 2.603 20 10 EFCDMO Oc1ccccc1C[N@H+]1CCC[C@@]2(CCCN(Cc3cn[nH]c3)C2)C1 ZINC001275267197 1296246817 /nfs/dbraw/zinc/24/68/17/1296246817.db2.gz KWCPPUIGURZURL-HXUWFJFHSA-N 1 1 340.471 2.994 20 10 EFCDMO O=c1cccc(CN2CC3(C2)CCC[N@H+](Cc2ccccc2O)C3)[nH]1 ZINC001275266963 1296247506 /nfs/dbraw/zinc/24/75/06/1296247506.db2.gz HJQZUCJZPHOAMY-UHFFFAOYSA-N 1 1 339.439 2.591 20 10 EFCDMO C[N@H+]1CCC[C@@H]2CN(Cc3cc(Br)cc(F)c3[O-])C[C@@H]21 ZINC001235066584 1313234184 /nfs/dbraw/zinc/23/41/84/1313234184.db2.gz KXKRWSIHWCIQDX-YGRLFVJLSA-N 1 1 343.240 2.820 20 10 EFCDMO C[N@@H+]1CCC[C@@H]2CN(Cc3cc(Br)cc(F)c3O)C[C@@H]21 ZINC001235066584 1313234186 /nfs/dbraw/zinc/23/41/86/1313234186.db2.gz KXKRWSIHWCIQDX-YGRLFVJLSA-N 1 1 343.240 2.820 20 10 EFCDMO C[N@H+]1CCC[C@@H]2CN(Cc3cc(Br)cc(F)c3O)C[C@@H]21 ZINC001235066584 1313234190 /nfs/dbraw/zinc/23/41/90/1313234190.db2.gz KXKRWSIHWCIQDX-YGRLFVJLSA-N 1 1 343.240 2.820 20 10 EFCDMO Cc1ccc(C)n1-c1ccc(O)c(C(=O)N2CC[C@H]3[C@@H]2CC[N@@H+]3C)c1 ZINC001275408673 1296271920 /nfs/dbraw/zinc/27/19/20/1296271920.db2.gz PKFFBDVQLSHZHX-ROUUACIJSA-N 1 1 339.439 2.718 20 10 EFCDMO Oc1ccc(O)c(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccc[nH]4)CC[C@@H]3C2)c1 ZINC001275419148 1296277952 /nfs/dbraw/zinc/27/79/52/1296277952.db2.gz ROHYCXXZRUSZPY-IYBDPMFKSA-N 1 1 341.455 2.770 20 10 EFCDMO Oc1ccc(O)c(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccc[nH]4)CC[C@@H]3C2)c1 ZINC001275419148 1296277967 /nfs/dbraw/zinc/27/79/67/1296277967.db2.gz ROHYCXXZRUSZPY-IYBDPMFKSA-N 1 1 341.455 2.770 20 10 EFCDMO Oc1c(Br)cc(F)cc1CN1CCCCC12C[NH2+]C2 ZINC001235103921 1313241791 /nfs/dbraw/zinc/24/17/91/1313241791.db2.gz HTCYVHWWVPWUDJ-UHFFFAOYSA-N 1 1 329.213 2.622 20 10 EFCDMO CN(C)c1ccc(C[N@@H+](C)Cc2ccccc2NS(C)(=O)=O)cc1 ZINC001235143811 1313251721 /nfs/dbraw/zinc/25/17/21/1313251721.db2.gz IIVNIEDJPLRWKV-UHFFFAOYSA-N 1 1 347.484 2.756 20 10 EFCDMO COC(=O)c1c(CN2CCC[C@](C)([NH3+])CC2)c2ccccc2n1C ZINC001205280879 1313264168 /nfs/dbraw/zinc/26/41/68/1313264168.db2.gz KWIAJVYKHGDYQT-IBGZPJMESA-N 1 1 329.444 2.668 20 10 EFCDMO C[C@@]1([NH3+])CCCN(Cc2ccc(N3CCOCC3)cc2Cl)CC1 ZINC001205289288 1313264908 /nfs/dbraw/zinc/26/49/08/1313264908.db2.gz WDZRNAWKUUMSGD-GOSISDBHSA-N 1 1 337.895 2.880 20 10 EFCDMO C[C@H]1CCN(Cc2c(O)cc(Br)cc2F)C[C@H]1C[NH3+] ZINC001205317418 1313268982 /nfs/dbraw/zinc/26/89/82/1313268982.db2.gz OYUZBSUNLOJSPM-VHSXEESVSA-N 1 1 331.229 2.711 20 10 EFCDMO CCn1ccnc1CN1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(C)c1O ZINC001276080237 1296594708 /nfs/dbraw/zinc/59/47/08/1296594708.db2.gz LLLLIYMOZJFKOU-HDICACEKSA-N 1 1 340.471 2.766 20 10 EFCDMO Oc1ccc2cc(Br)ccc2c1C[N@@H+]1CCN[C@@H]2C[C@@H]21 ZINC001235295588 1313284226 /nfs/dbraw/zinc/28/42/26/1313284226.db2.gz UXQWVZNWZSXFBW-CABCVRRESA-N 1 1 333.229 2.854 20 10 EFCDMO Oc1ccc2cc(Br)ccc2c1C[N@H+]1CCN[C@@H]2C[C@@H]21 ZINC001235295588 1313284229 /nfs/dbraw/zinc/28/42/29/1313284229.db2.gz UXQWVZNWZSXFBW-CABCVRRESA-N 1 1 333.229 2.854 20 10 EFCDMO Oc1c(Br)cc(F)cc1CN1CC[N@@H+]2CCC[C@H]2C1 ZINC001235301410 1313285570 /nfs/dbraw/zinc/28/55/70/1313285570.db2.gz HGWVKTUAGZTUJR-LBPRGKRZSA-N 1 1 329.213 2.574 20 10 EFCDMO Oc1c(Br)cc(F)cc1CN1CC[N@H+]2CCC[C@H]2C1 ZINC001235301410 1313285572 /nfs/dbraw/zinc/28/55/72/1313285572.db2.gz HGWVKTUAGZTUJR-LBPRGKRZSA-N 1 1 329.213 2.574 20 10 EFCDMO [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2cc(Br)cc(F)c2[O-])CC1 ZINC001205580259 1313317104 /nfs/dbraw/zinc/31/71/04/1313317104.db2.gz RUJKPQYHSLHKDL-CQSZACIVSA-N 1 1 349.219 2.947 20 10 EFCDMO C[C@@H]([NH2+]CCO[C@H]1CCOC1)c1cc(Br)c(F)cc1O ZINC000927081410 1296985613 /nfs/dbraw/zinc/98/56/13/1296985613.db2.gz RLPHEUDNEAWDNU-ZJUUUORDSA-N 1 1 348.212 2.750 20 10 EFCDMO CC(C)[C@@H]1CN(Cc2c(O)cc(Br)cc2F)CC[NH2+]1 ZINC001235474887 1313331962 /nfs/dbraw/zinc/33/19/62/1313331962.db2.gz IHPPUHORZJNCQJ-ZDUSSCGKSA-N 1 1 331.229 2.724 20 10 EFCDMO CC(C)[C@@H]1CN(Cc2cc(Br)cc(F)c2O)CC[NH2+]1 ZINC001235475924 1313332952 /nfs/dbraw/zinc/33/29/52/1313332952.db2.gz ZNXDWWWSJQHASR-ZDUSSCGKSA-N 1 1 331.229 2.724 20 10 EFCDMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000776238381 1297225025 /nfs/dbraw/zinc/22/50/25/1297225025.db2.gz NMIFBFNXMKTROC-QAPCUYQASA-N 1 1 332.492 2.795 20 10 EFCDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1 ZINC000776239196 1297226379 /nfs/dbraw/zinc/22/63/79/1297226379.db2.gz RRXDBBWRKCRNJM-HZPDHXFCSA-N 1 1 332.492 2.797 20 10 EFCDMO C[C@@H]1CC[C@@H](C[NH3+])N(Cc2cc(F)cc(Br)c2O)C1 ZINC001205841418 1313364751 /nfs/dbraw/zinc/36/47/51/1313364751.db2.gz JUWJXZKCLZBKDN-SKDRFNHKSA-N 1 1 331.229 2.853 20 10 EFCDMO CC(C)(C)c1ccc(C[N@@H+]2CCC[C@H](S(C)(=O)=O)C2)c(O)c1 ZINC001235677378 1313371966 /nfs/dbraw/zinc/37/19/66/1313371966.db2.gz DGWAPQJTTWKKPM-HNNXBMFYSA-N 1 1 325.474 2.699 20 10 EFCDMO CC(C)(C)c1ccc(C[N@H+]2CCC[C@H](S(C)(=O)=O)C2)c(O)c1 ZINC001235677378 1313371970 /nfs/dbraw/zinc/37/19/70/1313371970.db2.gz DGWAPQJTTWKKPM-HNNXBMFYSA-N 1 1 325.474 2.699 20 10 EFCDMO C[C@H]1[C@H](C[NH3+])CCCN1Cc1cc(Br)c(F)cc1O ZINC001205912812 1313374809 /nfs/dbraw/zinc/37/48/09/1313374809.db2.gz CUOYDAAOHKXKPB-UWVGGRQHSA-N 1 1 331.229 2.853 20 10 EFCDMO C[C@H]1[C@@H](C[NH3+])CCCN1Cc1c(O)cc(Br)cc1F ZINC001205913558 1313374931 /nfs/dbraw/zinc/37/49/31/1313374931.db2.gz JBHYLRMOKWJGHP-VHSXEESVSA-N 1 1 331.229 2.853 20 10 EFCDMO C[C@@H]1[C@H](C[NH3+])CCCN1Cc1c(O)cc(Br)cc1F ZINC001205913559 1313375296 /nfs/dbraw/zinc/37/52/96/1313375296.db2.gz JBHYLRMOKWJGHP-ZJUUUORDSA-N 1 1 331.229 2.853 20 10 EFCDMO Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001206003466 1313389907 /nfs/dbraw/zinc/38/99/07/1313389907.db2.gz IHHGBRPYYZWMQB-KBPBESRZSA-N 1 1 330.428 2.614 20 10 EFCDMO CC(C)(C)C(=O)N1CC[NH+](Cc2cc3c(cc2O)CCCC3)CC1 ZINC000159759061 1297761462 /nfs/dbraw/zinc/76/14/62/1297761462.db2.gz YGTZJQGBNUPRMO-UHFFFAOYSA-N 1 1 330.472 2.961 20 10 EFCDMO [O-]c1c(F)ccc(F)c1C[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001236008948 1313431053 /nfs/dbraw/zinc/43/10/53/1313431053.db2.gz HNVRJDCCLCONKG-KUHUBIRLSA-N 1 1 330.378 2.643 20 10 EFCDMO [O-]c1c(F)ccc(F)c1C[N@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001236008948 1313431056 /nfs/dbraw/zinc/43/10/56/1313431056.db2.gz HNVRJDCCLCONKG-KUHUBIRLSA-N 1 1 330.378 2.643 20 10 EFCDMO N[C@@]12C[C@@H]1C[N@H+](Cc1c(O)ccc3cc(Br)ccc31)C2 ZINC001236030054 1313432014 /nfs/dbraw/zinc/43/20/14/1313432014.db2.gz VGLCWMIRKDBKMW-BDJLRTHQSA-N 1 1 333.229 2.841 20 10 EFCDMO N[C@@]12C[C@@H]1C[N@@H+](Cc1c(O)ccc3cc(Br)ccc31)C2 ZINC001236030054 1313432016 /nfs/dbraw/zinc/43/20/16/1313432016.db2.gz VGLCWMIRKDBKMW-BDJLRTHQSA-N 1 1 333.229 2.841 20 10 EFCDMO C[N@H+](CCN1CC[NH2+]CC1)Cc1cc(Cl)c(C(C)(C)C)cc1[O-] ZINC001236082009 1313439923 /nfs/dbraw/zinc/43/99/23/1313439923.db2.gz VFFBHXXWJDSYOL-UHFFFAOYSA-N 1 1 339.911 2.680 20 10 EFCDMO C[N@@H+](CCN1CC[NH2+]CC1)Cc1cc(Cl)c(C(C)(C)C)cc1[O-] ZINC001236082009 1313439926 /nfs/dbraw/zinc/43/99/26/1313439926.db2.gz VFFBHXXWJDSYOL-UHFFFAOYSA-N 1 1 339.911 2.680 20 10 EFCDMO CCCC[C@@H]1CN(Cc2c(O)ccc3c(C)cc(=O)oc32)CC[NH2+]1 ZINC001236138043 1313445775 /nfs/dbraw/zinc/44/57/75/1313445775.db2.gz FFFPPFGWBDRIGO-CQSZACIVSA-N 1 1 330.428 2.771 20 10 EFCDMO [NH3+][C@@H]1CCN(Cc2cc(Br)cc(C(F)(F)F)c2O)C1 ZINC001236174475 1313450971 /nfs/dbraw/zinc/45/09/71/1313450971.db2.gz RPQMWVLKABTSMY-SECBINFHSA-N 1 1 339.155 2.707 20 10 EFCDMO CCC[C@H]1CN(Cc2c(O)cc(Br)cc2F)CC[NH2+]1 ZINC001236178555 1313452071 /nfs/dbraw/zinc/45/20/71/1313452071.db2.gz NQOQQDVJNNPKSE-NSHDSACASA-N 1 1 331.229 2.868 20 10 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COC(=O)[C@@H]1CCC[N@@H+](Cc2ccc3c(c2O)C=CC(C)(C)O3)C1 ZINC001249223635 1315034533 /nfs/dbraw/zinc/03/45/33/1315034533.db2.gz KKWQIWKLVZLHLZ-CQSZACIVSA-N 1 1 331.412 2.961 20 10 EFCDMO CC1(C)C=Cc2c(O)c(C[N@H+]3CCCC4(C3)OCCO4)ccc2O1 ZINC001249252199 1315039512 /nfs/dbraw/zinc/03/95/12/1315039512.db2.gz IQTRSJJTPBQGRY-UHFFFAOYSA-N 1 1 331.412 2.915 20 10 EFCDMO CC1(C)C=Cc2c(O)c(C[N@H+]3CCOC4(CCOCC4)C3)ccc2O1 ZINC001249252794 1315040131 /nfs/dbraw/zinc/04/01/31/1315040131.db2.gz VHNBEHBPVGRTKM-UHFFFAOYSA-N 1 1 345.439 2.958 20 10 EFCDMO CC1(C)C=Cc2c(O)c(C[N@H+]3CCC(=O)N4CCC[C@H]4C3)ccc2O1 ZINC001249258826 1315040519 /nfs/dbraw/zinc/04/05/19/1315040519.db2.gz MTEOWNSCSWEYTP-HNNXBMFYSA-N 1 1 342.439 2.773 20 10 EFCDMO CC(C)C(=O)N1CC[NH+](Cc2ccc3c(c2O)C=CC(C)(C)O3)CC1 ZINC001249258443 1315040716 /nfs/dbraw/zinc/04/07/16/1315040716.db2.gz ICTLYXJMFGXOFZ-UHFFFAOYSA-N 1 1 344.455 2.877 20 10 EFCDMO Cn1ncc2c1CC[N@@H+](Cc1ccc3c(c1O)C=CC(C)(C)O3)C2 ZINC001249258756 1315040937 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C[C@@H]1CC[C@@H](Oc2ccc3c(c2)C(=O)c2ccc(O)cc2C3=O)C[NH2+]1 ZINC001218406259 1315191059 /nfs/dbraw/zinc/19/10/59/1315191059.db2.gz MZKSDGQAIHATKH-BXUZGUMPSA-N 1 1 337.375 2.687 20 10 EFCDMO COc1cc(O)c(CN2CCC[C@@]3(CCC[N@@H+](C)C3)C2)cc1OC ZINC001276788967 1315211410 /nfs/dbraw/zinc/21/14/10/1315211410.db2.gz FFLDLVRFJNUVKU-LJQANCHMSA-N 1 1 334.460 2.717 20 10 EFCDMO Oc1ccc(-c2nc3cc(N4CCOCC4)c(F)cc3[nH]2)cc1O ZINC001250464842 1315213135 /nfs/dbraw/zinc/21/31/35/1315213135.db2.gz NZEDLTATNNLOAP-UHFFFAOYSA-N 1 1 329.331 2.617 20 10 EFCDMO COc1cc(C)c(C[N@H+]2C[C@@H]3COC[C@H](C2)N3C2CCCC2)c(O)c1 ZINC001276806703 1315330304 /nfs/dbraw/zinc/33/03/04/1315330304.db2.gz SHXXPJGXLYETJB-CALCHBBNSA-N 1 1 346.471 2.537 20 10 EFCDMO Oc1cccc2c1C[N@@H+](C[C@@H](O)CCOCc1ccccc1)CC2 ZINC001253272314 1315587179 /nfs/dbraw/zinc/58/71/79/1315587179.db2.gz KKJABHXPWATLLP-SFHVURJKSA-N 1 1 327.424 2.718 20 10 EFCDMO Oc1cc2c(cc1O)C[N@@H+](C[C@H](O)c1ccc(F)c(F)c1)CCC2 ZINC001253359354 1315595446 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COC(=O)CC1CCC([N@H+]2CCCc3cc(O)c(O)cc3C2)CC1 ZINC001256988586 1316018729 /nfs/dbraw/zinc/01/87/29/1316018729.db2.gz DGEHGMJUERRXJC-UHFFFAOYSA-N 1 1 333.428 2.968 20 10 EFCDMO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C1CCC2(COC2)CC1 ZINC001257908522 1316103042 /nfs/dbraw/zinc/10/30/42/1316103042.db2.gz LWFZGHKNEJZQIB-UHFFFAOYSA-N 1 1 330.472 2.914 20 10 EFCDMO COc1cc(NCc2ccc(N3CC[NH+](C)CC3)c(F)c2)ccc1N ZINC001261370725 1316407435 /nfs/dbraw/zinc/40/74/35/1316407435.db2.gz SBKYFGDYFKWNEM-UHFFFAOYSA-N 1 1 344.434 2.780 20 10 EFCDMO CCN(Cc1ccc(N(C)C)cc1)C(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC001262376867 1316465038 /nfs/dbraw/zinc/46/50/38/1316465038.db2.gz FCQHRFMBZMQXOV-MRXNPFEDSA-N 1 1 332.492 2.626 20 10 EFCDMO Cc1c(CN2CC3(C2)CC[N@H+](Cc2cn[nH]c2)C3)c2ccccc2n1C ZINC001279542429 1317292415 /nfs/dbraw/zinc/29/24/15/1317292415.db2.gz WCNVETRXNPHBGX-UHFFFAOYSA-N 1 1 349.482 2.918 20 10 EFCDMO Cc1c(CN2CC3(C2)CC[N@@H+](Cc2cn[nH]c2)C3)c2ccccc2n1C ZINC001279542429 1317292423 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C[C@H]1N(Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CCOC1(C)C ZINC001323324497 1329535081 /nfs/dbraw/zinc/53/50/81/1329535081.db2.gz WDUWJDLKEUFRLH-OAHLLOKOSA-N 1 1 335.467 2.577 20 10 EFCDMO Cn1nc(NCc2ccc(N3CC[NH+](C)CC3)c(F)c2)cc1C1CC1 ZINC001323922640 1329585189 /nfs/dbraw/zinc/58/51/89/1329585189.db2.gz CIPYXOLNPROOKB-UHFFFAOYSA-N 1 1 343.450 2.801 20 10 EFCDMO CCO[C@H]1CCC[N@@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001324166316 1329604936 /nfs/dbraw/zinc/60/49/36/1329604936.db2.gz CTKSCFKRPSRNSR-KRWDZBQOSA-N 1 1 335.467 2.578 20 10 EFCDMO CN(C)CC[N@@H+](Cc1ccc(N2CCCC2)cc1)C[C@@H]1CCCO1 ZINC001325713630 1329708213 /nfs/dbraw/zinc/70/82/13/1329708213.db2.gz LXLIQTVDSBUDTM-FQEVSTJZSA-N 1 1 331.504 2.829 20 10 EFCDMO CN(C)CC[N@H+](Cc1ccc(N2CCCC2)cc1)C[C@@H]1CCCO1 ZINC001325713630 1329708214 /nfs/dbraw/zinc/70/82/14/1329708214.db2.gz LXLIQTVDSBUDTM-FQEVSTJZSA-N 1 1 331.504 2.829 20 10 EFCDMO Cc1cccc(C[N@H+](C)Cc2ccc(N3CCN(C)CC3)c(F)c2)n1 ZINC001326445798 1329757242 /nfs/dbraw/zinc/75/72/42/1329757242.db2.gz DZXNTXAVFGPOCF-UHFFFAOYSA-N 1 1 342.462 2.913 20 10 EFCDMO CN1CCN(c2ccc(C[N@H+]3CCC[C@@H](CCO)CC3)cc2F)CC1 ZINC001327589857 1330498929 /nfs/dbraw/zinc/49/89/29/1330498929.db2.gz IJQDSGQYFSONHS-QGZVFWFLSA-N 1 1 349.494 2.562 20 10 EFCDMO C[N@H+]1C[C@@H]2CCCN(Cc3ccc(Br)cc3O)[C@@H]2C1 ZINC001328209832 1330568499 /nfs/dbraw/zinc/56/84/99/1330568499.db2.gz QVETWSCPHDFWOR-SMDDNHRTSA-N 1 1 325.250 2.681 20 10 EFCDMO COC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)cc(C(C)=O)c1O ZINC001328771824 1330629921 /nfs/dbraw/zinc/62/99/21/1330629921.db2.gz MWMLJSBLCUXHLN-GXTWGEPZSA-N 1 1 325.792 2.680 20 10 EFCDMO COC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)cc(C(C)=O)c1O ZINC001328771826 1330630035 /nfs/dbraw/zinc/63/00/35/1330630035.db2.gz MWMLJSBLCUXHLN-TZMCWYRMSA-N 1 1 325.792 2.680 20 10 EFCDMO CC(C)O[C@@H]1CC[N@@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001329506080 1330713411 /nfs/dbraw/zinc/71/34/11/1330713411.db2.gz DLYULOZZPHOYLN-QGZVFWFLSA-N 1 1 335.467 2.577 20 10 EFCDMO Cc1cc(CN2CCC[N@@H+](Cc3cc(F)cc(F)c3[O-])CC2)no1 ZINC001331551803 1330851651 /nfs/dbraw/zinc/85/16/51/1330851651.db2.gz HRQVXTYTEPCXCR-UHFFFAOYSA-N 1 1 337.370 2.675 20 10 EFCDMO COc1cc(C)cc(C[N@H+]2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)c1O ZINC001332691134 1331003180 /nfs/dbraw/zinc/00/31/80/1331003180.db2.gz JKZVGNVKHMSRNN-SJORKVTESA-N 1 1 345.443 2.531 20 10 EFCDMO CCOC(=O)C[C@H]1CCC[N@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC001333337067 1331119848 /nfs/dbraw/zinc/11/98/48/1331119848.db2.gz SLNSKTZJPDRULI-GOSISDBHSA-N 1 1 346.471 2.565 20 10 EFCDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC001334877309 1331322023 /nfs/dbraw/zinc/32/20/23/1331322023.db2.gz HOJKKWUQQMCBOY-GOSISDBHSA-N 1 1 347.528 2.729 20 10 EFCDMO C[C@@H]1C[C@H](NC(=O)NCc2ccc(N)cc2)C[N@H+]1Cc1ccccc1 ZINC001337016428 1331527756 /nfs/dbraw/zinc/52/77/56/1331527756.db2.gz RVGVSPGZZVOEJO-BEFAXECRSA-N 1 1 338.455 2.731 20 10 EFCDMO Nc1ccc(CNC(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)cc1 ZINC001337078783 1331534487 /nfs/dbraw/zinc/53/44/87/1331534487.db2.gz QMTGJLSZAWZHCS-UHFFFAOYSA-N 1 1 338.455 2.686 20 10 EFCDMO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)NCc1ccc(N)cc1 ZINC001337078395 1331534694 /nfs/dbraw/zinc/53/46/94/1331534694.db2.gz HBOLLDCBVSQFDV-MRXNPFEDSA-N 1 1 338.455 2.685 20 10 EFCDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)NCc1ccc(N)cc1 ZINC001337078395 1331534697 /nfs/dbraw/zinc/53/46/97/1331534697.db2.gz HBOLLDCBVSQFDV-MRXNPFEDSA-N 1 1 338.455 2.685 20 10 EFCDMO C[NH+](C)[C@H]1CCCC[C@@H]1NCc1ccc(N2CCOCC2)c(F)c1 ZINC001338886809 1331753244 /nfs/dbraw/zinc/75/32/44/1331753244.db2.gz IFPWJNFUOUPAIA-HKUYNNGSSA-N 1 1 335.467 2.625 20 10 EFCDMO COC(=O)C[C@@H]1CSCC[N@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001341569627 1332268742 /nfs/dbraw/zinc/26/87/42/1332268742.db2.gz RQKYCKSGFTUKIA-QGZVFWFLSA-N 1 1 334.485 2.767 20 10 EFCDMO COC1CCN(c2ccc(C[N@H+]3CCC[C@](C)(CO)C3)cc2)CC1 ZINC001344122717 1332404105 /nfs/dbraw/zinc/40/41/05/1332404105.db2.gz BDINMGSHWQDLII-FQEVSTJZSA-N 1 1 332.488 2.896 20 10 EFCDMO CN(C)c1ccc(C[N@H+](C)CN2C(=O)C[C@@H]2Cc2ccccc2)cc1 ZINC001345055051 1332505202 /nfs/dbraw/zinc/50/52/02/1332505202.db2.gz WRQPJFAKJXMJJS-FQEVSTJZSA-N 1 1 337.467 2.986 20 10 EFCDMO CN(C)c1ccc(C[N@@H+](C)CN2C(=O)C[C@@H]2Cc2ccccc2)cc1 ZINC001345055051 1332505206 /nfs/dbraw/zinc/50/52/06/1332505206.db2.gz WRQPJFAKJXMJJS-FQEVSTJZSA-N 1 1 337.467 2.986 20 10 EFCDMO CCC[C@]1(CO)CC[N@@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001347236595 1332726304 /nfs/dbraw/zinc/72/63/04/1332726304.db2.gz AEUXOXDJNOEPJQ-FQEVSTJZSA-N 1 1 349.494 2.562 20 10 EFCDMO CS(=O)(=O)C[C@@H]1CCCC[N@@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001347794034 1332773981 /nfs/dbraw/zinc/77/39/81/1332773981.db2.gz OFPFILUFVNCBTQ-SFHVURJKSA-N 1 1 336.501 2.686 20 10 EFCDMO CS(=O)(=O)C[C@@H]1CCCC[N@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001347794034 1332773984 /nfs/dbraw/zinc/77/39/84/1332773984.db2.gz OFPFILUFVNCBTQ-SFHVURJKSA-N 1 1 336.501 2.686 20 10 EFCDMO COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CC[C@@H]3C[C@H](C)C[N@H+]3C2)c1 ZINC001348141824 1332803539 /nfs/dbraw/zinc/80/35/39/1332803539.db2.gz ZLONYJCZDLXGCU-BYNSBNAKSA-N 1 1 332.444 2.698 20 10 EFCDMO CN(C)c1ccc(CNC(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1F ZINC000847301699 1333508099 /nfs/dbraw/zinc/50/80/99/1333508099.db2.gz BUZRIZOEHTWCOW-AEFFLSMTSA-N 1 1 348.466 2.708 20 10 EFCDMO CN(C)c1ccc(CNC(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)cc1F ZINC000847301704 1333508513 /nfs/dbraw/zinc/50/85/13/1333508513.db2.gz BUZRIZOEHTWCOW-FUHWJXTLSA-N 1 1 348.466 2.708 20 10 EFCDMO Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000847318487 1333541028 /nfs/dbraw/zinc/54/10/28/1333541028.db2.gz KDUDGXBYEIXHEG-RTBURBONSA-N 1 1 344.503 2.877 20 10 EFCDMO COc1cccc(CNC(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)c1O ZINC000847589093 1333958983 /nfs/dbraw/zinc/95/89/83/1333958983.db2.gz DXXBITCVPYQCMQ-INIZCTEOSA-N 1 1 348.830 2.973 20 10 EFCDMO COc1ccc(O)c(CNC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000847591548 1333964353 /nfs/dbraw/zinc/96/43/53/1333964353.db2.gz WNBZRQNRBDBWPJ-MRXNPFEDSA-N 1 1 340.423 2.539 20 10 EFCDMO COc1ccc(O)c(CNC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000847591547 1333964616 /nfs/dbraw/zinc/96/46/16/1333964616.db2.gz WNBZRQNRBDBWPJ-INIZCTEOSA-N 1 1 340.423 2.539 20 10 EFCDMO COc1cc([N+](=O)[O-])c(N2CCC(c3c[nH+]cn3C)CC2)cc1OC ZINC001354417627 1334290570 /nfs/dbraw/zinc/29/05/70/1334290570.db2.gz ZZZXKNOSCQQGAV-UHFFFAOYSA-N 1 1 346.387 2.730 20 10 EFCDMO COC(=O)[C@]12C[N@@H+](Cc3cc(C)cc(OC)c3O)C[C@H]1CCCC2 ZINC000848491467 1334747623 /nfs/dbraw/zinc/74/76/23/1334747623.db2.gz RUPZOYDJLOJVRT-DNVCBOLYSA-N 1 1 333.428 2.874 20 10 EFCDMO Fc1cc(C[NH2+][C@H]2CCCn3ccnc32)cc(F)c1N1CCOCC1 ZINC000848551677 1334790817 /nfs/dbraw/zinc/79/08/17/1334790817.db2.gz ARNHALRYYALBQJ-INIZCTEOSA-N 1 1 348.397 2.623 20 10 EFCDMO C[C@@H](C[NH2+]Cc1ccc(N2CCN(C)CC2)cc1)C(=O)OC(C)(C)C ZINC000848565952 1334798308 /nfs/dbraw/zinc/79/83/08/1334798308.db2.gz OGLHGJYYCYLIQJ-INIZCTEOSA-N 1 1 347.503 2.506 20 10 EFCDMO CCc1cccc(C[N@@H+](C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)c1O ZINC000848881596 1334958452 /nfs/dbraw/zinc/95/84/52/1334958452.db2.gz YWHOVBQDVCYCMZ-ZDUSSCGKSA-N 1 1 348.468 2.795 20 10 EFCDMO CCc1cccc(C[N@@H+](C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)c1O ZINC000848881595 1334958456 /nfs/dbraw/zinc/95/84/56/1334958456.db2.gz YWHOVBQDVCYCMZ-CYBMUJFWSA-N 1 1 348.468 2.795 20 10 EFCDMO CCc1cccc(C[N@@H+](C)[C@H]2CCCC[C@H]2S(C)(=O)=O)c1O ZINC000848888259 1334962801 /nfs/dbraw/zinc/96/28/01/1334962801.db2.gz PZOXEKAJZVWKOZ-JKSUJKDBSA-N 1 1 325.474 2.742 20 10 EFCDMO CCc1cccc(C[N@@H+](C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)c1O ZINC000848888257 1334962907 /nfs/dbraw/zinc/96/29/07/1334962907.db2.gz PZOXEKAJZVWKOZ-HOTGVXAUSA-N 1 1 325.474 2.742 20 10 EFCDMO CCc1cccc(C[N@H+](C)Cc2ccc(S(C)(=O)=O)cc2)c1O ZINC000848888835 1334963045 /nfs/dbraw/zinc/96/30/45/1334963045.db2.gz ZUZRZZXOBFKQLE-UHFFFAOYSA-N 1 1 333.453 2.990 20 10 EFCDMO CCc1cccc(C[N@@H+](C)Cc2ccc(S(C)(=O)=O)cc2)c1O ZINC000848888835 1334963049 /nfs/dbraw/zinc/96/30/49/1334963049.db2.gz ZUZRZZXOBFKQLE-UHFFFAOYSA-N 1 1 333.453 2.990 20 10 EFCDMO C[C@@H]1CCCN(C(=[NH2+])NCc2cccc(Br)c2O)C1 ZINC000849105556 1335552659 /nfs/dbraw/zinc/55/26/59/1335552659.db2.gz UQBGHAQFNXMNGO-SNVBAGLBSA-N 1 1 326.238 2.911 20 10 EFCDMO Oc1ccccc1C[NH2+]Cc1ncc(I)s1 ZINC000304460856 712996102 /nfs/dbraw/zinc/99/61/02/712996102.db2.gz CDTVEXBONANNMG-UHFFFAOYSA-N 1 1 346.193 2.743 20 10 EFCDMO COCC[C@H]1COCCN1Cc1cc(C)cc(Br)c1[O-] ZINC000812786774 713481567 /nfs/dbraw/zinc/48/15/67/713481567.db2.gz RCYIQEPNMBZTQQ-ZDUSSCGKSA-N 1 1 344.249 2.700 20 10 EFCDMO Cc1ccc(C(=O)NC[C@H](C)[N@H+]2CCc3ccccc3C2)c(O)c1O ZINC000177676761 713943161 /nfs/dbraw/zinc/94/31/61/713943161.db2.gz ILMILPJCNDVNIR-AWEZNQCLSA-N 1 1 340.423 2.583 20 10 EFCDMO CC[C@@H](F)C[NH+]1CC([C@H](C)NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000970954096 714177181 /nfs/dbraw/zinc/17/71/81/714177181.db2.gz KCVONNFHYKYZEL-SMDDNHRTSA-N 1 1 349.410 2.647 20 10 EFCDMO C[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C1C[NH+](C/C=C/Cl)C1 ZINC000970955332 714178998 /nfs/dbraw/zinc/17/89/98/714178998.db2.gz UWIMUUQDSNXMRF-ANNIQLRWSA-N 1 1 349.822 2.652 20 10 EFCDMO COc1ccc(C[N@@H+](C)C[C@H]2COc3ccccc3O2)c(O)c1OC ZINC000891483925 714778527 /nfs/dbraw/zinc/77/85/27/714778527.db2.gz XTKGNAAUPQQJDQ-AWEZNQCLSA-N 1 1 345.395 2.681 20 10 EFCDMO COc1ccc(C[N@H+]2CCC[C@H](OCC(F)(F)F)C2)c(O)c1OC ZINC000891700556 714960598 /nfs/dbraw/zinc/96/05/98/714960598.db2.gz ZZAZFCFYBAIYMX-LBPRGKRZSA-N 1 1 349.349 2.953 20 10 EFCDMO COc1ccc(C[N@H+](Cc2ccccc2)C[C@H](C)O)c(O)c1OC ZINC000891722409 714975543 /nfs/dbraw/zinc/97/55/43/714975543.db2.gz XTCGBNJAZIAAMU-AWEZNQCLSA-N 1 1 331.412 2.792 20 10 EFCDMO COc1ccc(C[N@H+]2CCN(C)c3ccccc3C2)c(O)c1OC ZINC000891924525 715159079 /nfs/dbraw/zinc/15/90/79/715159079.db2.gz PIPBDVZGQNCLAZ-UHFFFAOYSA-N 1 1 328.412 2.861 20 10 EFCDMO COc1ccc([C@@H](CO)[N@@H+](C)Cc2ccc(OC)c(OC)c2O)cc1 ZINC000892044385 715232138 /nfs/dbraw/zinc/23/21/38/715232138.db2.gz IYIFTNDRADZGSW-MRXNPFEDSA-N 1 1 347.411 2.583 20 10 EFCDMO COCC[N@@H+](Cc1ccc(C)o1)Cc1ccc(OC)c(OC)c1O ZINC000892124874 715264499 /nfs/dbraw/zinc/26/44/99/715264499.db2.gz CFVZZGNQOWYAJZ-UHFFFAOYSA-N 1 1 335.400 2.959 20 10 EFCDMO CCN(CC)c1ccc(CNC(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000892133144 715267912 /nfs/dbraw/zinc/26/79/12/715267912.db2.gz IXTAQUITEOFMKQ-GOSISDBHSA-N 1 1 332.492 2.768 20 10 EFCDMO CCC[N@@H+](C)[C@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001027698921 716561511 /nfs/dbraw/zinc/56/15/11/716561511.db2.gz UPJJYWUQXYSBFY-HNNXBMFYSA-N 1 1 331.420 2.795 20 10 EFCDMO CCC[N@@H+](Cc1cc2c(cc1O)CCCC2)[C@@H]1CCS(=O)(=O)C1 ZINC000179435362 717461952 /nfs/dbraw/zinc/46/19/52/717461952.db2.gz UZJFSXYEXHAHDY-QGZVFWFLSA-N 1 1 337.485 2.670 20 10 EFCDMO Cc1ccc(C(=O)N2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c(O)c1O ZINC000840521200 718053531 /nfs/dbraw/zinc/05/35/31/718053531.db2.gz BNIONICBAHCXLS-HNNXBMFYSA-N 1 1 340.423 2.753 20 10 EFCDMO Cc1ccc(C(=O)N2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c(O)c1O ZINC000840521200 718053534 /nfs/dbraw/zinc/05/35/34/718053534.db2.gz BNIONICBAHCXLS-HNNXBMFYSA-N 1 1 340.423 2.753 20 10 EFCDMO Cc1ccc(C(=O)N2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c(O)c1O ZINC000840521202 718053543 /nfs/dbraw/zinc/05/35/43/718053543.db2.gz BNIONICBAHCXLS-OAHLLOKOSA-N 1 1 340.423 2.753 20 10 EFCDMO Cc1ccc(C(=O)N2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c(O)c1O ZINC000840521202 718053546 /nfs/dbraw/zinc/05/35/46/718053546.db2.gz BNIONICBAHCXLS-OAHLLOKOSA-N 1 1 340.423 2.753 20 10 EFCDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)NCc1ccc2c(c1)CCCN2C ZINC000066191445 718144890 /nfs/dbraw/zinc/14/48/90/718144890.db2.gz AKKSKRDVNPXDEJ-OAHLLOKOSA-N 1 1 332.492 2.599 20 10 EFCDMO N#Cc1ccc(N2CC[NH+](Cc3cc(F)ccc3O)CC2)c(F)c1 ZINC000180002801 719884098 /nfs/dbraw/zinc/88/40/98/719884098.db2.gz WFZJLTMJZJSOPU-UHFFFAOYSA-N 1 1 329.350 2.864 20 10 EFCDMO COc1cc(O)c(C[N@H+](C)Cc2nc3ccccc3n2C)cc1OC ZINC000180228683 719914808 /nfs/dbraw/zinc/91/48/08/719914808.db2.gz BIJCWQFUVFMINS-UHFFFAOYSA-N 1 1 341.411 2.928 20 10 EFCDMO COc1cc(O)c(C[N@@H+](C)Cc2nc3ccccc3n2C)cc1OC ZINC000180228683 719914811 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O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000298713671 241156189 /nfs/dbraw/zinc/15/61/89/241156189.db2.gz XIWYPMKBFGAKCS-MOPGFXCFSA-N 1 1 342.487 2.713 20 10 EFCDMO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1Cc1c(O)ccc(Cl)c1F ZINC000365931738 242337175 /nfs/dbraw/zinc/33/71/75/242337175.db2.gz OBLDYTPNADKUFY-GFCCVEGCSA-N 1 1 342.842 2.870 20 10 EFCDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1Cc1c(O)ccc(Cl)c1F ZINC000365931738 242337182 /nfs/dbraw/zinc/33/71/82/242337182.db2.gz OBLDYTPNADKUFY-GFCCVEGCSA-N 1 1 342.842 2.870 20 10 EFCDMO COc1cc(Br)cc(C[N@H+]2CCC[C@](C)(O)CC2)c1O ZINC000366245981 242348163 /nfs/dbraw/zinc/34/81/63/242348163.db2.gz ITXSUOULBHVUCY-HNNXBMFYSA-N 1 1 344.249 2.900 20 10 EFCDMO Cc1cc(C(=O)C[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)c(C)n1-c1cccc(C)c1 ZINC000366403083 242352272 /nfs/dbraw/zinc/35/22/72/242352272.db2.gz MJNODAAAFBPLNP-PMOLBWCYSA-N 1 1 338.451 2.755 20 10 EFCDMO Cc1cc(C(=O)C[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)c(C)n1-c1cccc(C)c1 ZINC000366403083 242352285 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2.711 20 10 EFCDMO COCCC[NH+]1CCC([NH2+][C@H](C)c2ccc(F)c(F)c2[O-])CC1 ZINC000187691906 292350646 /nfs/dbraw/zinc/35/06/46/292350646.db2.gz IHVUGYDLQOOBDB-GFCCVEGCSA-N 1 1 328.403 2.822 20 10 EFCDMO COCCn1c(C)cc(C(=O)C[N@H+](C)Cc2ccccc2O)c1C ZINC000085795147 544513038 /nfs/dbraw/zinc/51/30/38/544513038.db2.gz QTAHAKRUUQJTPL-UHFFFAOYSA-N 1 1 330.428 2.772 20 10 EFCDMO COCCn1c(C)cc(C(=O)C[N@@H+](C)Cc2ccccc2O)c1C ZINC000085795147 544513042 /nfs/dbraw/zinc/51/30/42/544513042.db2.gz QTAHAKRUUQJTPL-UHFFFAOYSA-N 1 1 330.428 2.772 20 10 EFCDMO C[C@H]1C[C@H](NC(=O)N(C)Cc2ccc(N(C)C)cc2)C[N@H+]1C1CC1 ZINC000127329823 544630709 /nfs/dbraw/zinc/63/07/09/544630709.db2.gz UAPZWUMYSWZKRW-HOCLYGCPSA-N 1 1 330.476 2.519 20 10 EFCDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)c1 ZINC000278424415 276375190 /nfs/dbraw/zinc/37/51/90/276375190.db2.gz SAVZKVDFRJIECH-IAQYHMDHSA-N 1 1 333.350 2.926 20 10 EFCDMO [O-]c1c(Br)cccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000112017216 473238544 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COc1cccc(C[N@@H+](C)CC(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000007355609 471607980 /nfs/dbraw/zinc/60/79/80/471607980.db2.gz APZWMANSUVXRBG-UHFFFAOYSA-N 1 1 341.455 2.509 20 10 EFCDMO C[N@H+](Cc1ccc(N2CCOCC2)cc1)C[C@@H](O)c1ccccc1 ZINC000016387316 471934965 /nfs/dbraw/zinc/93/49/65/471934965.db2.gz CCLHIONDHKKSJE-HXUWFJFHSA-N 1 1 326.440 2.689 20 10 EFCDMO CC[N@@H+](CC(=O)N1CCCC1)Cc1cc(Br)ccc1O ZINC000076118566 472277588 /nfs/dbraw/zinc/27/75/88/472277588.db2.gz WYHGKBLCNGHSHJ-UHFFFAOYSA-N 1 1 341.249 2.599 20 10 EFCDMO CC[N@@H+](Cc1cc(Br)ccc1O)[C@@H](C)C(=O)NC1CC1 ZINC000076118514 472277774 /nfs/dbraw/zinc/27/77/74/472277774.db2.gz FWDATNIOJPCSRM-JTQLQIEISA-N 1 1 341.249 2.644 20 10 EFCDMO CSC[C@H]1CCC[N@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000128136410 472406674 /nfs/dbraw/zinc/40/66/74/472406674.db2.gz YKAODLQXDXXGQB-QGZVFWFLSA-N 1 1 335.517 2.538 20 10 EFCDMO Cc1cc(O)c(C[N@H+]2CCC[C@H]2C(=O)NCc2ccco2)cc1C ZINC000128179342 472413970 /nfs/dbraw/zinc/41/39/70/472413970.db2.gz SLAUGHULBKXEII-KRWDZBQOSA-N 1 1 328.412 2.883 20 10 EFCDMO C[N@@H+](CCCOCC(F)(F)F)Cc1ccc(N2CCOCC2)cc1 ZINC000097094181 472441726 /nfs/dbraw/zinc/44/17/26/472441726.db2.gz ABSFBPCXDFWJKT-UHFFFAOYSA-N 1 1 346.393 2.924 20 10 EFCDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1ccccc1O ZINC000069818248 472442768 /nfs/dbraw/zinc/44/27/68/472442768.db2.gz VIBWUTUKEXBWHO-GFCCVEGCSA-N 1 1 329.356 2.759 20 10 EFCDMO O=C(C[N@H+](Cc1ccccc1O)C1CCCC1)NCC(F)(F)F ZINC000069819292 472443754 /nfs/dbraw/zinc/44/37/54/472443754.db2.gz BQUVVRXCXVHYGD-UHFFFAOYSA-N 1 1 330.350 2.815 20 10 EFCDMO CN(C)c1ccc(CNC(=O)NC[C@H](c2ccco2)[NH+](C)C)cc1F ZINC000057647883 472458034 /nfs/dbraw/zinc/45/80/34/472458034.db2.gz WOLQVIJYTPZZON-MRXNPFEDSA-N 1 1 348.422 2.587 20 10 EFCDMO COc1cccc(C[N@H+]2CCCN(C(=O)OC(C)(C)C)CC2)c1O ZINC000128513033 472461963 /nfs/dbraw/zinc/46/19/63/472461963.db2.gz NHCQZVQXQGROLL-UHFFFAOYSA-N 1 1 336.432 2.844 20 10 EFCDMO COC(=O)c1ccc([C@@H](C)[NH+]2CCN(c3ccc(OC)cc3)CC2)o1 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CCCCN(Cc1ccccc1O)C(=O)[C@H](C)[NH+]1CCSCC1 ZINC000282538207 474103269 /nfs/dbraw/zinc/10/32/69/474103269.db2.gz RDCWHQNEWREESE-HNNXBMFYSA-N 1 1 336.501 2.958 20 10 EFCDMO CCCC[N@H+](Cc1ccccc1O)C[C@H](O)COC1CCOCC1 ZINC000282550598 474107623 /nfs/dbraw/zinc/10/76/23/474107623.db2.gz XCUJJXYRWOTRRR-KRWDZBQOSA-N 1 1 337.460 2.551 20 10 EFCDMO C[C@H](CNC(=O)NCc1ccccc1O)[N@@H+](C)Cc1ccccc1 ZINC000264803713 474132725 /nfs/dbraw/zinc/13/27/25/474132725.db2.gz UPEBAWIXASKELC-OAHLLOKOSA-N 1 1 327.428 2.712 20 10 EFCDMO CN(C)c1ccc(CN(Cc2ccco2)C(=O)[C@H]2CCC[N@H+]2C)cc1 ZINC000264973159 474162911 /nfs/dbraw/zinc/16/29/11/474162911.db2.gz GQYBMLHACSILSK-LJQANCHMSA-N 1 1 341.455 2.969 20 10 EFCDMO COC1CCC([N@@H+](C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000265237883 474170519 /nfs/dbraw/zinc/17/05/19/474170519.db2.gz NZKQNVOWTNCXMX-UHFFFAOYSA-N 1 1 347.503 2.600 20 10 EFCDMO COCCCCC[N@H+](CC(=O)OC)Cc1cc(Cl)ccc1O ZINC000265366642 474189360 /nfs/dbraw/zinc/18/93/60/474189360.db2.gz ZCSLRLQZBNEIME-UHFFFAOYSA-N 1 1 329.824 2.837 20 10 EFCDMO COCCCCC[N@@H+](CC(=O)OC)Cc1cc(Cl)ccc1O ZINC000265366642 474189367 /nfs/dbraw/zinc/18/93/67/474189367.db2.gz ZCSLRLQZBNEIME-UHFFFAOYSA-N 1 1 329.824 2.837 20 10 EFCDMO FC(F)Oc1ccc(N2CCC[C@H]([NH2+]Cc3csnn3)C2)cc1 ZINC000182495039 474190005 /nfs/dbraw/zinc/19/00/05/474190005.db2.gz WSBUZFKFYXXHJH-NSHDSACASA-N 1 1 340.399 2.898 20 10 EFCDMO C[C@H]1C[N@@H+](Cc2c(O)ccc3ccccc32)CCN1CC(C)(C)O ZINC000188966518 474248178 /nfs/dbraw/zinc/24/81/78/474248178.db2.gz UFVCIRHIEJCDTH-HNNXBMFYSA-N 1 1 328.456 2.822 20 10 EFCDMO C[C@H]1CN(Cc2c(O)ccc3ccccc32)CC[N@@H+]1CC(C)(C)O ZINC000188966518 474248183 /nfs/dbraw/zinc/24/81/83/474248183.db2.gz UFVCIRHIEJCDTH-HNNXBMFYSA-N 1 1 328.456 2.822 20 10 EFCDMO C[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182875576 474275807 /nfs/dbraw/zinc/27/58/07/474275807.db2.gz WGYZDNUWUFKWJB-DYIUODAASA-N 1 1 344.455 2.880 20 10 EFCDMO Cc1ccc(C(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c(O)c1O ZINC000182911685 474286330 /nfs/dbraw/zinc/28/63/30/474286330.db2.gz IGSSNMRWMGROFV-KGLIPLIRSA-N 1 1 332.444 2.789 20 10 EFCDMO CCOc1cccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)c1O ZINC000289521193 474305803 /nfs/dbraw/zinc/30/58/03/474305803.db2.gz HDWLUYNPQPTXMQ-QWHCGFSZSA-N 1 1 333.350 2.784 20 10 EFCDMO CCOc1cccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)c1O ZINC000289521183 474306931 /nfs/dbraw/zinc/30/69/31/474306931.db2.gz HDWLUYNPQPTXMQ-CHWSQXEVSA-N 1 1 333.350 2.784 20 10 EFCDMO CCCN(Cc1ccccc1O)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC000289629564 474352152 /nfs/dbraw/zinc/35/21/52/474352152.db2.gz CAEAORRWIWWLMK-OAHLLOKOSA-N 1 1 327.428 2.898 20 10 EFCDMO CCCOc1ccc(C[N@H+]2CCOCC3(CCOCC3)C2)c(O)c1 ZINC000183266082 474362420 /nfs/dbraw/zinc/36/24/20/474362420.db2.gz DCCSYJHIPDAXKL-UHFFFAOYSA-N 1 1 335.444 2.810 20 10 EFCDMO CC[N@H+](CC(=O)Nc1ccccc1OC)Cc1cc(OC)ccc1O ZINC000183373467 474376844 /nfs/dbraw/zinc/37/68/44/474376844.db2.gz CQBZZDLIBWIRSJ-UHFFFAOYSA-N 1 1 344.411 2.870 20 10 EFCDMO CC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1cc(OC)ccc1O ZINC000183373467 474376853 /nfs/dbraw/zinc/37/68/53/474376853.db2.gz CQBZZDLIBWIRSJ-UHFFFAOYSA-N 1 1 344.411 2.870 20 10 EFCDMO CN(C)c1ccc(C[N@@H+](Cc2cnc(N(C)C)nc2)C2CC2)cc1 ZINC000271032044 474377042 /nfs/dbraw/zinc/37/70/42/474377042.db2.gz DGBUVOAVDHQGTJ-UHFFFAOYSA-N 1 1 325.460 2.773 20 10 EFCDMO Cc1cn[nH]c1C[NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000289742356 474407143 /nfs/dbraw/zinc/40/71/43/474407143.db2.gz DZVKXVIEZVMMOU-ZIAGYGMSSA-N 1 1 332.423 2.761 20 10 EFCDMO Cc1c[nH]nc1C[NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000289742356 474407146 /nfs/dbraw/zinc/40/71/46/474407146.db2.gz DZVKXVIEZVMMOU-ZIAGYGMSSA-N 1 1 332.423 2.761 20 10 EFCDMO CCCOc1ccc(C[N@H+]2CCSC[C@H]2CC(=O)OC)c(O)c1 ZINC000271204313 474438667 /nfs/dbraw/zinc/43/86/67/474438667.db2.gz QZXNYMIRUMYYQP-CQSZACIVSA-N 1 1 339.457 2.662 20 10 EFCDMO Cc1cnc(C(C)(C)[NH2+]CC(=O)NCc2ccc(N(C)C)cc2)s1 ZINC000183958902 474451765 /nfs/dbraw/zinc/45/17/65/474451765.db2.gz BXCPLQIGJFJYRJ-UHFFFAOYSA-N 1 1 346.500 2.659 20 10 EFCDMO COC(=O)[C@@H]1[C@H](O)CCC[N@@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000276210604 474454078 /nfs/dbraw/zinc/45/40/78/474454078.db2.gz LDNBMQDJAAFUGV-MOPGFXCFSA-N 1 1 341.407 2.558 20 10 EFCDMO COC(=O)[C@@H]1[C@H](O)CCC[N@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000276210604 474454084 /nfs/dbraw/zinc/45/40/84/474454084.db2.gz LDNBMQDJAAFUGV-MOPGFXCFSA-N 1 1 341.407 2.558 20 10 EFCDMO Cc1cc(O)c(C[N@@H+]2CCC[C@@H]([C@@H](O)c3nccn3C)C2)cc1C ZINC000271268437 474465936 /nfs/dbraw/zinc/46/59/36/474465936.db2.gz JCXBIUJLSBRNNU-CRAIPNDOSA-N 1 1 329.444 2.688 20 10 EFCDMO CCCNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1cccc(OC)c1O ZINC000289942787 474496252 /nfs/dbraw/zinc/49/62/52/474496252.db2.gz XFKJHEUMTYNIRK-HNNXBMFYSA-N 1 1 336.432 2.892 20 10 EFCDMO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCC[N@@H+](C)C1CC1 ZINC000266850716 474504113 /nfs/dbraw/zinc/50/41/13/474504113.db2.gz QJGMHDKFOBZITJ-UHFFFAOYSA-N 1 1 332.492 2.767 20 10 EFCDMO C[NH+](C)C[C@H](NCc1cc2c(cc1O)OCO2)c1ccc(F)cc1 ZINC000290062209 474544761 /nfs/dbraw/zinc/54/47/61/474544761.db2.gz HKGBGGVQZHSPQC-HNNXBMFYSA-N 1 1 332.375 2.653 20 10 EFCDMO COc1cncc(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)c1 ZINC000290067663 474545463 /nfs/dbraw/zinc/54/54/63/474545463.db2.gz VWQVLCPZOFSHBJ-QGZVFWFLSA-N 1 1 328.412 2.977 20 10 EFCDMO C[C@@H]([NH2+][C@H](C)c1cc(Br)ccc1O)c1ncnn1C ZINC000276472265 474555762 /nfs/dbraw/zinc/55/57/62/474555762.db2.gz BLNBEWYXDIYDSN-RKDXNWHRSA-N 1 1 325.210 2.695 20 10 EFCDMO C[C@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1O)c1ncnn1C ZINC000276473335 474556652 /nfs/dbraw/zinc/55/66/52/474556652.db2.gz NBGNRGBYWZTLDG-AWEZNQCLSA-N 1 1 338.411 2.951 20 10 EFCDMO C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000290563540 474577090 /nfs/dbraw/zinc/57/70/90/474577090.db2.gz SLYMRRFAMWQAKP-GXFFZTMASA-N 1 1 327.812 2.726 20 10 EFCDMO C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000290563540 474577096 /nfs/dbraw/zinc/57/70/96/474577096.db2.gz SLYMRRFAMWQAKP-GXFFZTMASA-N 1 1 327.812 2.726 20 10 EFCDMO C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000290563540 474577098 /nfs/dbraw/zinc/57/70/98/474577098.db2.gz SLYMRRFAMWQAKP-GXFFZTMASA-N 1 1 327.812 2.726 20 10 EFCDMO C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000290563540 474577104 /nfs/dbraw/zinc/57/71/04/474577104.db2.gz SLYMRRFAMWQAKP-GXFFZTMASA-N 1 1 327.812 2.726 20 10 EFCDMO C[NH+](C)[C@H]1CCC[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000277316685 474581878 /nfs/dbraw/zinc/58/18/78/474581878.db2.gz BXCRPAHBVPAUCQ-ZDUSSCGKSA-N 1 1 327.812 2.870 20 10 EFCDMO C[NH+](C)[C@H]1CCC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000277316685 474581880 /nfs/dbraw/zinc/58/18/80/474581880.db2.gz BXCRPAHBVPAUCQ-ZDUSSCGKSA-N 1 1 327.812 2.870 20 10 EFCDMO COC(=O)C1([N@@H+](C)Cc2cc(OC)c(OC)cc2O)CCCCC1 ZINC000271735223 474587643 /nfs/dbraw/zinc/58/76/43/474587643.db2.gz OHAGCYPOCVKADI-UHFFFAOYSA-N 1 1 337.416 2.717 20 10 EFCDMO CCOCC[C@@H](O)C[N@@H+](CC)Cc1cc(Br)ccc1O ZINC000277770767 474595167 /nfs/dbraw/zinc/59/51/67/474595167.db2.gz RCHRXJNKQMTULP-CQSZACIVSA-N 1 1 346.265 2.764 20 10 EFCDMO COc1ccc([C@@H](CO)[N@@H+](C)Cc2cc(OC)c(OC)cc2O)cc1 ZINC000271839965 474595384 /nfs/dbraw/zinc/59/53/84/474595384.db2.gz QCGGXSRVZZNSNW-MRXNPFEDSA-N 1 1 347.411 2.583 20 10 EFCDMO COc1ccc([C@H](CO)[N@@H+](C)Cc2cc(OC)c(OC)cc2O)cc1 ZINC000271839961 474595858 /nfs/dbraw/zinc/59/58/58/474595858.db2.gz QCGGXSRVZZNSNW-INIZCTEOSA-N 1 1 347.411 2.583 20 10 EFCDMO COc1ccc(O)c(C[N@H+]2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c1 ZINC000271824779 474596110 /nfs/dbraw/zinc/59/61/10/474596110.db2.gz PSDSLEDKAXJUSD-CQSZACIVSA-N 1 1 336.432 2.842 20 10 EFCDMO COc1cc(N2CC[NH+](Cc3ccco3)CC2)cc(OC)c1OC ZINC000184753827 474600947 /nfs/dbraw/zinc/60/09/47/474600947.db2.gz XWENUKZNIWXEHJ-UHFFFAOYSA-N 1 1 332.400 2.628 20 10 EFCDMO COc1c([O-])c(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000278159835 474602079 /nfs/dbraw/zinc/60/20/79/474602079.db2.gz DMCYRZHKIKOYIQ-OAHLLOKOSA-N 1 1 349.431 2.759 20 10 EFCDMO COc1c([O-])c(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000278159835 474602080 /nfs/dbraw/zinc/60/20/80/474602080.db2.gz DMCYRZHKIKOYIQ-OAHLLOKOSA-N 1 1 349.431 2.759 20 10 EFCDMO C[C@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)c1cc(Cl)c(Cl)cc1O ZINC000278271328 474605260 /nfs/dbraw/zinc/60/52/60/474605260.db2.gz PCLPQQGXCJNMNL-DTWKUNHWSA-N 1 1 338.256 2.784 20 10 EFCDMO COc1c(O)c(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)ccc1[N+](=O)[O-] ZINC000278297808 474606949 /nfs/dbraw/zinc/60/69/49/474606949.db2.gz COEUCAFDTLJJDW-JCURWCKSSA-N 1 1 348.399 2.746 20 10 EFCDMO C[C@H](NC(=O)NCc1ccccc1O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000272721622 474624327 /nfs/dbraw/zinc/62/43/27/474624327.db2.gz JDDDUHVZKXEDST-HOCLYGCPSA-N 1 1 331.460 2.844 20 10 EFCDMO Cc1cc(Br)cc(C[N@@H+](C)CCc2cnccn2)c1O ZINC000272759126 474625575 /nfs/dbraw/zinc/62/55/75/474625575.db2.gz LBBQFYDNRKBBEA-UHFFFAOYSA-N 1 1 336.233 2.928 20 10 EFCDMO COc1c(O)c(C[NH2+]CC[C@](C)(O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000278433177 474642212 /nfs/dbraw/zinc/64/22/12/474642212.db2.gz UJFVIGGSFJCBKD-SFHVURJKSA-N 1 1 346.383 2.696 20 10 EFCDMO COc1cc(O)c(C[N@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)cc1OC ZINC000278438566 474644034 /nfs/dbraw/zinc/64/40/34/474644034.db2.gz VILXSHYYANXJLP-ZUZCIYMTSA-N 1 1 349.349 2.545 20 10 EFCDMO COc1c(O)c(C[NH2+]C[C@@](C)(O)C2CCCCC2)ccc1[N+](=O)[O-] ZINC000278440489 474645106 /nfs/dbraw/zinc/64/51/06/474645106.db2.gz VUKCXZPDGRQINW-QGZVFWFLSA-N 1 1 338.404 2.730 20 10 EFCDMO COc1c(O)c(C[NH2+]CC2([C@@H](C)CCO)CCC2)ccc1[N+](=O)[O-] ZINC000278474181 474654207 /nfs/dbraw/zinc/65/42/07/474654207.db2.gz IAJLHHHNLUJCTQ-LBPRGKRZSA-N 1 1 338.404 2.587 20 10 EFCDMO COc1c(O)c(C[NH2+][C@H](CCCO)c2ccccc2)ccc1[N+](=O)[O-] ZINC000278478737 474656487 /nfs/dbraw/zinc/65/64/87/474656487.db2.gz JAJIAPOVBJQMBS-OAHLLOKOSA-N 1 1 346.383 2.912 20 10 EFCDMO COc1cccc(C[N@@H+](Cc2ccc(C(N)=O)cc2F)C2CC2)c1O ZINC000292824795 474663368 /nfs/dbraw/zinc/66/33/68/474663368.db2.gz QLGXGWKPJVDHHV-UHFFFAOYSA-N 1 1 344.386 2.803 20 10 EFCDMO COc1ccc(O)c(C[N@H+](Cc2ccc(C(N)=O)cc2F)C2CC2)c1 ZINC000292832858 474666240 /nfs/dbraw/zinc/66/62/40/474666240.db2.gz RKOPLUGCVSRPKK-UHFFFAOYSA-N 1 1 344.386 2.803 20 10 EFCDMO COc1ccc(O)c(C[N@@H+](Cc2ccc(C(N)=O)cc2F)C2CC2)c1 ZINC000292832858 474666250 /nfs/dbraw/zinc/66/62/50/474666250.db2.gz RKOPLUGCVSRPKK-UHFFFAOYSA-N 1 1 344.386 2.803 20 10 EFCDMO COc1c(O)c(C[NH2+][C@H]2CCCO[C@H]2CC(C)C)ccc1[N+](=O)[O-] ZINC000278534918 474687838 /nfs/dbraw/zinc/68/78/38/474687838.db2.gz VUFTTYMCDKRZET-ZFWWWQNUSA-N 1 1 338.404 2.992 20 10 EFCDMO COc1c(O)c(C[NH2+][C@@H]2CCCO[C@@H]2CC(C)C)ccc1[N+](=O)[O-] ZINC000278534917 474688364 /nfs/dbraw/zinc/68/83/64/474688364.db2.gz VUFTTYMCDKRZET-UKRRQHHQSA-N 1 1 338.404 2.992 20 10 EFCDMO CCCOc1ccc(C[NH2+][C@@H]2CS(=O)(=O)c3ccccc32)c(O)c1 ZINC000267907886 474702882 /nfs/dbraw/zinc/70/28/82/474702882.db2.gz BVHOTSMZEZYBRS-MRXNPFEDSA-N 1 1 347.436 2.799 20 10 EFCDMO COc1c(O)c(C[NH2+][C@H](C)CN2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000278609196 474734995 /nfs/dbraw/zinc/73/49/95/474734995.db2.gz DQPSKZXENGQIIZ-QWHCGFSZSA-N 1 1 337.420 2.519 20 10 EFCDMO COCc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)cc1 ZINC000278627358 474743266 /nfs/dbraw/zinc/74/32/66/474743266.db2.gz GKVQHXVPAVTMBS-UHFFFAOYSA-N 1 1 332.356 2.745 20 10 EFCDMO COc1c(O)c(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)ccc1[N+](=O)[O-] ZINC000278634297 474748699 /nfs/dbraw/zinc/74/86/99/474748699.db2.gz HGMVPHGMYPRPRM-UHFFFAOYSA-N 1 1 347.327 2.550 20 10 EFCDMO CCCC[N@H+](Cc1ccccc1O)C[C@H](O)COCC(F)(F)F ZINC000292986220 474750127 /nfs/dbraw/zinc/75/01/27/474750127.db2.gz ROKSKRUGNNTULN-AWEZNQCLSA-N 1 1 335.366 2.934 20 10 EFCDMO Cc1nc(CN2CC[NH+](Cc3ccc(N(C)C)c(C)c3)CC2)oc1C ZINC000292986788 474750499 /nfs/dbraw/zinc/75/04/99/474750499.db2.gz FTBIVNMZCNGPLM-UHFFFAOYSA-N 1 1 342.487 2.984 20 10 EFCDMO C[C@H]1C[C@H](NC(=O)NCc2ccccc2O)C[N@H+]1Cc1ccccc1 ZINC000268119849 474808912 /nfs/dbraw/zinc/80/89/12/474808912.db2.gz MCAGSICWWIKHRW-YJBOKZPZSA-N 1 1 339.439 2.854 20 10 EFCDMO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000268136298 474818542 /nfs/dbraw/zinc/81/85/42/474818542.db2.gz JNNORTFPJGXLJW-KXBFYZLASA-N 1 1 344.503 2.767 20 10 EFCDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000268143341 474823161 /nfs/dbraw/zinc/82/31/61/474823161.db2.gz KXZLKAFZKCVQDX-ACJLOTCBSA-N 1 1 343.471 2.553 20 10 EFCDMO Cc1nn(C)c(Cl)c1/C=C\C(=O)N1CC[N@H+](C)Cc2ccccc21 ZINC000255474819 474858692 /nfs/dbraw/zinc/85/86/92/474858692.db2.gz VMMYBLDTOYJLEK-HJWRWDBZSA-N 1 1 344.846 2.874 20 10 EFCDMO Cc1nn(C)c(Cl)c1/C=C\C(=O)N1CC[N@@H+](C)Cc2ccccc21 ZINC000255474819 474858700 /nfs/dbraw/zinc/85/87/00/474858700.db2.gz VMMYBLDTOYJLEK-HJWRWDBZSA-N 1 1 344.846 2.874 20 10 EFCDMO COc1c(O)c(C[NH2+]CCO[C@H]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000278855116 474874661 /nfs/dbraw/zinc/87/46/61/474874661.db2.gz LMVBIIJCLTZYNF-DOMZBBRYSA-N 1 1 338.404 2.994 20 10 EFCDMO Cc1ccc([C@@H](C)[NH2+]C[C@@H](C(C)C)N2CCN(C)CC2)c(O)c1C ZINC000273389262 474875598 /nfs/dbraw/zinc/87/55/98/474875598.db2.gz KIZBDRQAWKFXGP-MJGOQNOKSA-N 1 1 333.520 2.932 20 10 EFCDMO Cc1ccc([C@@H](C)[NH2+]C[C@H](C(C)C)N2CCN(C)CC2)c(O)c1C ZINC000273389259 474875724 /nfs/dbraw/zinc/87/57/24/474875724.db2.gz KIZBDRQAWKFXGP-IEBWSBKVSA-N 1 1 333.520 2.932 20 10 EFCDMO CCn1cnnc1C[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000273441240 474898321 /nfs/dbraw/zinc/89/83/21/474898321.db2.gz YKIHWTVUQTWRRM-SECBINFHSA-N 1 1 325.210 2.617 20 10 EFCDMO CCn1cnnc1C[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000273441241 474899673 /nfs/dbraw/zinc/89/96/73/474899673.db2.gz YKIHWTVUQTWRRM-VIFPVBQESA-N 1 1 325.210 2.617 20 10 EFCDMO COc1c(O)c(C[NH2+]CCOc2ccccc2F)ccc1[N+](=O)[O-] ZINC000278895489 474900505 /nfs/dbraw/zinc/90/05/05/474900505.db2.gz QJHBYPPDMRMZQL-UHFFFAOYSA-N 1 1 336.319 2.617 20 10 EFCDMO COc1cccc(C[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)c1OC ZINC000278916185 474915067 /nfs/dbraw/zinc/91/50/67/474915067.db2.gz UCVMHPAOSLEZBF-UHFFFAOYSA-N 1 1 348.355 2.616 20 10 EFCDMO COc1cc(N2CCN(c3cc(C)cc[nH+]3)CC2)cc(OC)c1OC ZINC000273497876 474931415 /nfs/dbraw/zinc/93/14/15/474931415.db2.gz QYVNMBHWIYEYGF-UHFFFAOYSA-N 1 1 343.427 2.742 20 10 EFCDMO COc1c(O)c(C[NH+]2CCC3(CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000285242124 474942319 /nfs/dbraw/zinc/94/23/19/474942319.db2.gz SNENLEZGWDZBDM-UHFFFAOYSA-N 1 1 336.388 2.702 20 10 EFCDMO C[C@H]1C[C@@H](N2CCOCC2)C[N@H+]1Cc1c(O)ccc2ccccc21 ZINC000285266937 474951241 /nfs/dbraw/zinc/95/12/41/474951241.db2.gz YILPVDFBBRBPBO-DOTOQJQBSA-N 1 1 326.440 2.840 20 10 EFCDMO Cc1nn(C)c(C[NH2+]Cc2ccc(N(C)C)cc2)c1Br ZINC000279225477 474964965 /nfs/dbraw/zinc/96/49/65/474964965.db2.gz XVMNNRPMFUFNGB-UHFFFAOYSA-N 1 1 337.265 2.847 20 10 EFCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000273569516 474968498 /nfs/dbraw/zinc/96/84/98/474968498.db2.gz KIMQOMLKSCQBKF-GFCCVEGCSA-N 1 1 344.367 2.980 20 10 EFCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)c2ccccc2C)c1 ZINC000273577853 474972430 /nfs/dbraw/zinc/97/24/30/474972430.db2.gz MBGIJMUGSIURDN-ACJLOTCBSA-N 1 1 329.396 2.871 20 10 EFCDMO CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000279513946 474978027 /nfs/dbraw/zinc/97/80/27/474978027.db2.gz APWJRAIPUDJSTJ-HNNXBMFYSA-N 1 1 343.393 2.824 20 10 EFCDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000279513946 474978031 /nfs/dbraw/zinc/97/80/31/474978031.db2.gz APWJRAIPUDJSTJ-HNNXBMFYSA-N 1 1 343.393 2.824 20 10 EFCDMO CC(=O)N1CCC[N@@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)CC1 ZINC000279548613 474979639 /nfs/dbraw/zinc/97/96/39/474979639.db2.gz DIIUFJBAYXQFJZ-UHFFFAOYSA-N 1 1 343.393 2.826 20 10 EFCDMO CC(=O)N1CCC[N@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)CC1 ZINC000279548613 474979646 /nfs/dbraw/zinc/97/96/46/474979646.db2.gz DIIUFJBAYXQFJZ-UHFFFAOYSA-N 1 1 343.393 2.826 20 10 EFCDMO COc1c(O)c(C[NH2+]CC2(OC)CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000279634314 474983434 /nfs/dbraw/zinc/98/34/34/474983434.db2.gz CGFIIBYRUAFOCS-UHFFFAOYSA-N 1 1 338.404 2.994 20 10 EFCDMO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)c1 ZINC000273608546 474987376 /nfs/dbraw/zinc/98/73/76/474987376.db2.gz UYUIYBOGKOPDAH-STQMWFEESA-N 1 1 331.416 2.671 20 10 EFCDMO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)c1 ZINC000273608542 474988284 /nfs/dbraw/zinc/98/82/84/474988284.db2.gz UYUIYBOGKOPDAH-OLZOCXBDSA-N 1 1 331.416 2.671 20 10 EFCDMO CN(C)c1ccc(C[N@H+]2CCC[C@@H](CC(N)=O)C2)c(C(F)(F)F)c1 ZINC000280300108 475020563 /nfs/dbraw/zinc/02/05/63/475020563.db2.gz PMBVGESVPKMAKI-LBPRGKRZSA-N 1 1 343.393 2.859 20 10 EFCDMO C[C@H]([NH2+]CC(=O)NCC(F)F)c1cc(Cl)c(Cl)cc1O ZINC000280427987 475025145 /nfs/dbraw/zinc/02/51/45/475025145.db2.gz BROJDSRVGNEKLH-LURJTMIESA-N 1 1 327.158 2.731 20 10 EFCDMO CC[C@H]([NH2+]CC1(S(C)(=O)=O)CCCC1)c1ccc(F)cc1O ZINC000285591385 475031412 /nfs/dbraw/zinc/03/14/12/475031412.db2.gz HVVAKSCIIVFRKQ-AWEZNQCLSA-N 1 1 329.437 2.929 20 10 EFCDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)c1O ZINC000273734746 475033668 /nfs/dbraw/zinc/03/36/68/475033668.db2.gz KZNRVPAEQUEVRK-GXFFZTMASA-N 1 1 339.741 2.942 20 10 EFCDMO CN(C)c1ccc(CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000285852587 475044575 /nfs/dbraw/zinc/04/45/75/475044575.db2.gz XCWFMYZBGZGPFH-JWTNVVGKSA-N 1 1 330.476 2.519 20 10 EFCDMO Cc1nnsc1C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000293805431 475053415 /nfs/dbraw/zinc/05/34/15/475053415.db2.gz VERGPMFNMIKDRG-NSHDSACASA-N 1 1 336.436 2.673 20 10 EFCDMO C[C@H]([NH2+]C[C@@H](CO)[C@@H]1CCOC1)c1cc(Cl)c(Cl)cc1O ZINC000280912735 475055928 /nfs/dbraw/zinc/05/59/28/475055928.db2.gz QOJZJCHMZQPOTM-AXFHLTTASA-N 1 1 334.243 2.995 20 10 EFCDMO CC[C@@H]([NH2+][C@@H]1CCCN(c2ccnn2C)C1)c1ccc(F)cc1O ZINC000286949564 475087022 /nfs/dbraw/zinc/08/70/22/475087022.db2.gz BMARZXCOXCPSAS-GDBMZVCRSA-N 1 1 332.423 2.975 20 10 EFCDMO CC[C@H]([NH2+][C@@H]1CCCN(c2ccnn2C)C1)c1ccc(F)cc1O ZINC000286949571 475087359 /nfs/dbraw/zinc/08/73/59/475087359.db2.gz BMARZXCOXCPSAS-ZBFHGGJFSA-N 1 1 332.423 2.975 20 10 EFCDMO COC1CCN(c2ccc(C[N@H+]3CC[C@@H](n4cccn4)C3)cc2)CC1 ZINC000294938569 475093748 /nfs/dbraw/zinc/09/37/48/475093748.db2.gz AFHFJURNKXXXSH-LJQANCHMSA-N 1 1 340.471 2.945 20 10 EFCDMO COC1CCN(c2ccc(C[N@@H+](C)C3(C(N)=O)CCCC3)cc2)CC1 ZINC000295030811 475098781 /nfs/dbraw/zinc/09/87/81/475098781.db2.gz VPHMCJZOXNUGFT-UHFFFAOYSA-N 1 1 345.487 2.532 20 10 EFCDMO C[N@@H+](Cc1cc2c(cc1O)OCO2)[C@H](CO)c1ccc(Cl)cc1 ZINC000295048249 475099781 /nfs/dbraw/zinc/09/97/81/475099781.db2.gz NDRDPUVKEVPVRJ-CQSZACIVSA-N 1 1 335.787 2.940 20 10 EFCDMO C[C@H]1C[C@H](NC(=O)c2c(F)ccc(O)c2O)C[N@H+]1Cc1ccccc1 ZINC000295164205 475109700 /nfs/dbraw/zinc/10/97/00/475109700.db2.gz QWKIQPUWHNRRSW-JSGCOSHPSA-N 1 1 344.386 2.630 20 10 EFCDMO COC1CCN(c2ccc(C[N@@H+]3CCC[C@]34CCOC4=O)cc2)CC1 ZINC000295698947 475131649 /nfs/dbraw/zinc/13/16/49/475131649.db2.gz JAIGTTGIJNHXME-HXUWFJFHSA-N 1 1 344.455 2.583 20 10 EFCDMO COC1CCN(c2ccc(C[N@H+]3CCC[C@]34CCOC4=O)cc2)CC1 ZINC000295698947 475131655 /nfs/dbraw/zinc/13/16/55/475131655.db2.gz JAIGTTGIJNHXME-HXUWFJFHSA-N 1 1 344.455 2.583 20 10 EFCDMO CS(=O)(=O)C[C@@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000292814406 475206527 /nfs/dbraw/zinc/20/65/27/475206527.db2.gz PEZVWJQCDCFZAS-QGZVFWFLSA-N 1 1 336.501 2.543 20 10 EFCDMO CS(=O)(=O)C[C@@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000292814406 475206529 /nfs/dbraw/zinc/20/65/29/475206529.db2.gz PEZVWJQCDCFZAS-QGZVFWFLSA-N 1 1 336.501 2.543 20 10 EFCDMO Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000349895450 476015912 /nfs/dbraw/zinc/01/59/12/476015912.db2.gz PMGUBHHCAZNHAR-GOEBONIOSA-N 1 1 328.460 2.769 20 10 EFCDMO Cc1c2ccccc2n(C)c1CNC(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000350034494 476033841 /nfs/dbraw/zinc/03/38/41/476033841.db2.gz QGGMBWOIYVRSNF-MRXNPFEDSA-N 1 1 340.471 2.865 20 10 EFCDMO CCOc1ccc(O)c(C[N@H+]2CC[C@@]3(C2)C(=O)Nc2ccccc23)c1 ZINC000368785008 476370909 /nfs/dbraw/zinc/37/09/09/476370909.db2.gz SRRSFRUUYXUGRE-FQEVSTJZSA-N 1 1 338.407 2.887 20 10 EFCDMO CN(C)c1ccc(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)cc1 ZINC000373167213 476381690 /nfs/dbraw/zinc/38/16/90/476381690.db2.gz OZSBGGDHQKYWIO-RTBURBONSA-N 1 1 328.460 2.574 20 10 EFCDMO COc1ccc(CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)c(O)c1 ZINC000373692694 476420790 /nfs/dbraw/zinc/42/07/90/476420790.db2.gz CZNOSZQLWYMQJV-SFHVURJKSA-N 1 1 340.423 2.682 20 10 EFCDMO COc1ccc(CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)c(O)c1 ZINC000373696933 476421057 /nfs/dbraw/zinc/42/10/57/476421057.db2.gz PSBYHGGOXGCPQG-HNNXBMFYSA-N 1 1 332.444 2.672 20 10 EFCDMO Cc1cc(C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)c(C)n1-c1ccccn1 ZINC000373929782 476442076 /nfs/dbraw/zinc/44/20/76/476442076.db2.gz RYAWIQXISFLZJB-IRXDYDNUSA-N 1 1 338.455 2.846 20 10 EFCDMO O=C(NCc1ccc(N2CCCC2)cc1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000373932636 476442172 /nfs/dbraw/zinc/44/21/72/476442172.db2.gz IPPPNGTULCZYJP-PKOBYXMFSA-N 1 1 342.487 2.713 20 10 EFCDMO Cc1cc(O)c(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)cc1C ZINC000374257939 476463313 /nfs/dbraw/zinc/46/33/13/476463313.db2.gz SOSXMBSKXXGZSV-IEBWSBKVSA-N 1 1 329.444 2.831 20 10 EFCDMO Cc1cc(O)c(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)cc1C ZINC000374257940 476465424 /nfs/dbraw/zinc/46/54/24/476465424.db2.gz SOSXMBSKXXGZSV-MJGOQNOKSA-N 1 1 329.444 2.831 20 10 EFCDMO C[N@H+](Cc1cc(Cl)ccc1[O-])[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377630269 476487582 /nfs/dbraw/zinc/48/75/82/476487582.db2.gz QHRPGJDWADWKJF-QGZVFWFLSA-N 1 1 337.895 2.646 20 10 EFCDMO C[N@@H+](Cc1cc(Cl)ccc1[O-])[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377630269 476487584 /nfs/dbraw/zinc/48/75/84/476487584.db2.gz QHRPGJDWADWKJF-QGZVFWFLSA-N 1 1 337.895 2.646 20 10 EFCDMO C[C@H]1C[C@H](N2CCCC2)C[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000377690317 476523703 /nfs/dbraw/zinc/52/37/03/476523703.db2.gz FZQFDCJVAJBLOL-PXNSSMCTSA-N 1 1 329.488 2.582 20 10 EFCDMO C[C@H]1C[C@H](N2CCCC2)C[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000377690317 476523710 /nfs/dbraw/zinc/52/37/10/476523710.db2.gz FZQFDCJVAJBLOL-PXNSSMCTSA-N 1 1 329.488 2.582 20 10 EFCDMO COCCSCCC[N@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000365955531 476780592 /nfs/dbraw/zinc/78/05/92/476780592.db2.gz NBLAIYXMGJMMES-UHFFFAOYSA-N 1 1 338.517 2.977 20 10 EFCDMO CC[C@@H]([NH2+][C@@H]1CCCc2c1cnn2CCO)c1ccc(F)cc1O ZINC000375790693 477007536 /nfs/dbraw/zinc/00/75/36/477007536.db2.gz NKUGKYCIYUOEKR-HZPDHXFCSA-N 1 1 333.407 2.838 20 10 EFCDMO CCOc1cccc(C[NH+]2CCC(CCN3CCOCC3)CC2)c1O ZINC000371415280 477305358 /nfs/dbraw/zinc/30/53/58/477305358.db2.gz BJPIEMJMXAQNOX-UHFFFAOYSA-N 1 1 348.487 2.725 20 10 EFCDMO Cc1ccc(C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)c(O)c1O ZINC000371575114 477393331 /nfs/dbraw/zinc/39/33/31/477393331.db2.gz ZAUPNFPDLSJIRF-MRXNPFEDSA-N 1 1 340.423 2.753 20 10 EFCDMO CC[N@H+]1CCCN(C(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000372026089 477605056 /nfs/dbraw/zinc/60/50/56/477605056.db2.gz 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CC[C@@H](C)N1CC[C@]2(CC[N@@H+](Cc3ccc(N(C)C)cc3)C2)C1=O ZINC001272916986 1261328162 /nfs/dbraw/zinc/32/81/62/1261328162.db2.gz OCHOIMWNXVMCSM-UZLBHIALSA-N 1 1 329.488 2.976 20 10 EFCDMO NC(=O)CC[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2O)C1 ZINC000824645462 1278212124 /nfs/dbraw/zinc/21/21/24/1278212124.db2.gz JEGYIICVGIQDST-LLVKDONJSA-N 1 1 341.249 2.632 20 10 EFCDMO CCN(C)C(=O)[C@@H]([NH2+]Cc1cccc(Br)c1O)C(C)C ZINC000824677639 1278241166 /nfs/dbraw/zinc/24/11/66/1278241166.db2.gz HDQHFADTNRVWJU-ZDUSSCGKSA-N 1 1 343.265 2.747 20 10 EFCDMO CC[C@H](C)N1C(=O)C[C@@]2(CCC[N@H+](Cc3c(O)cccc3F)C2)C1=O ZINC001273265369 1265209286 /nfs/dbraw/zinc/20/92/86/1265209286.db2.gz FVAILHVJTNSBIW-ORAYPTAESA-N 1 1 348.418 2.671 20 10 EFCDMO CC[C@H](C)N1C(=O)C[C@@]2(CCC[N@@H+](Cc3c(O)cccc3F)C2)C1=O ZINC001273265369 1265209289 /nfs/dbraw/zinc/20/92/89/1265209289.db2.gz FVAILHVJTNSBIW-ORAYPTAESA-N 1 1 348.418 2.671 20 10 EFCDMO CC(C)=CCN1CC[C@]2(CC[N@H+](Cc3c(O)cccc3F)C2)C1=O ZINC001273265804 1265225512 /nfs/dbraw/zinc/22/55/12/1265225512.db2.gz LBCAGEWVWXMCGL-IBGZPJMESA-N 1 1 332.419 2.922 20 10 EFCDMO CC(C)=CCN1CC[C@]2(CC[N@@H+](Cc3c(O)cccc3F)C2)C1=O ZINC001273265804 1265225521 /nfs/dbraw/zinc/22/55/21/1265225521.db2.gz LBCAGEWVWXMCGL-IBGZPJMESA-N 1 1 332.419 2.922 20 10 EFCDMO CC(C)CNC(=O)[C@@H]1CC12CC[NH+](Cc1c(O)cccc1F)CC2 ZINC001273265982 1265227804 /nfs/dbraw/zinc/22/78/04/1265227804.db2.gz PDGJODGZVOFVSA-HNNXBMFYSA-N 1 1 334.435 2.906 20 10 EFCDMO O[C@@H]1CCC[C@H]1[C@H]1CCC[N@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000824715212 1278258951 /nfs/dbraw/zinc/25/89/51/1278258951.db2.gz JIDPERVSZVPPOH-ILZDJORESA-N 1 1 348.462 2.788 20 10 EFCDMO COCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1c(C)ccc(C)c1O ZINC001273048987 1266784500 /nfs/dbraw/zinc/78/45/00/1266784500.db2.gz GODCKCKWJVTFSY-QZTJIDSGSA-N 1 1 346.471 2.611 20 10 EFCDMO C[C@H](CCN1CCN(C)CC1)[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000186582434 1266786396 /nfs/dbraw/zinc/78/63/96/1266786396.db2.gz SOZAPVSEXPVEMC-IAGOWNOFSA-N 1 1 345.531 2.948 20 10 EFCDMO Cc1cc(N(C)C)ccc1CNC(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000734661390 1267058401 /nfs/dbraw/zinc/05/84/01/1267058401.db2.gz LNAGZVGRVWXKCX-NVXWUHKLSA-N 1 1 346.519 2.981 20 10 EFCDMO Fc1cc(C[NH2+]Cc2cnc(C3CC3)o2)ccc1N1CCOCC1 ZINC000825172528 1278435249 /nfs/dbraw/zinc/43/52/49/1278435249.db2.gz VNJYVYPDCYYSPU-UHFFFAOYSA-N 1 1 331.391 2.818 20 10 EFCDMO COCC1(C[NH2+]Cc2ccc(N3CCN(C)CC3)cc2)CCCC1 ZINC000825244978 1278483637 /nfs/dbraw/zinc/48/36/37/1278483637.db2.gz CFNUAXUIBBVPLA-UHFFFAOYSA-N 1 1 331.504 2.735 20 10 EFCDMO CC(C)C[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001085994766 1269450066 /nfs/dbraw/zinc/45/00/66/1269450066.db2.gz UMAXCLXAJDFWAC-HNNXBMFYSA-N 1 1 331.420 2.651 20 10 EFCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@@H](NC(=O)N(C)C)C2)cc1 ZINC000825278296 1278491894 /nfs/dbraw/zinc/49/18/94/1278491894.db2.gz BEBANMMZSPIHMQ-QGZVFWFLSA-N 1 1 332.492 2.768 20 10 EFCDMO CN(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC000825278470 1278492787 /nfs/dbraw/zinc/49/27/87/1278492787.db2.gz CPYLLNPKBYIQLJ-MRXNPFEDSA-N 1 1 327.428 2.781 20 10 EFCDMO CN(C)c1ccc(C[N@@H+](CCN2CCOCC2)Cc2ccco2)cc1 ZINC000825305054 1278499333 /nfs/dbraw/zinc/49/93/33/1278499333.db2.gz BGSKFPWVEUAJOM-UHFFFAOYSA-N 1 1 343.471 2.680 20 10 EFCDMO CCN(CC)c1ccc(C[N@@H+](C)CC(=O)NC(=O)NC(C)(C)C)cc1 ZINC000741678080 1269655300 /nfs/dbraw/zinc/65/53/00/1269655300.db2.gz JBTWDIWNFOVQIK-UHFFFAOYSA-N 1 1 348.491 2.589 20 10 EFCDMO CCN(CC)c1ccc(C[N@H+](C)CC(=O)Nc2c(C)n[nH]c2C)cc1 ZINC000741678896 1269655907 /nfs/dbraw/zinc/65/59/07/1269655907.db2.gz ZYISUMVPFPANJH-UHFFFAOYSA-N 1 1 343.475 2.943 20 10 EFCDMO CCN(CC)c1ccc(C[N@@H+](C)CC(=O)Nc2c(C)n[nH]c2C)cc1 ZINC000741678896 1269655909 /nfs/dbraw/zinc/65/59/09/1269655909.db2.gz ZYISUMVPFPANJH-UHFFFAOYSA-N 1 1 343.475 2.943 20 10 EFCDMO Cc1ccc(O)c(C[N@@H+](CCN2CCOCC2)Cc2ccco2)c1 ZINC000825305966 1278499815 /nfs/dbraw/zinc/49/98/15/1278499815.db2.gz XIBMNLSJTOXDGJ-UHFFFAOYSA-N 1 1 330.428 2.628 20 10 EFCDMO CCN(C)c1ccc(C[NH+]2CCN(Cc3cc(C)no3)CC2)cc1 ZINC000741752877 1269688351 /nfs/dbraw/zinc/68/83/51/1269688351.db2.gz GHFUGLBOSYMSPB-UHFFFAOYSA-N 1 1 328.460 2.757 20 10 EFCDMO Cn1ccnc1[C@H]1C[C@@H]([NH2+]Cc2c(O)ccc(Cl)c2F)CCO1 ZINC000825327737 1278507751 /nfs/dbraw/zinc/50/77/51/1278507751.db2.gz VGRRTPKWANXQPO-IINYFYTJSA-N 1 1 339.798 2.928 20 10 EFCDMO CCCC[N@H+]1CC[C@H](N(C)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001033697174 1269834484 /nfs/dbraw/zinc/83/44/84/1269834484.db2.gz BEZDPEDZRVPAHR-HNNXBMFYSA-N 1 1 331.420 2.795 20 10 EFCDMO C[C@H](F)CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001033700318 1269868192 /nfs/dbraw/zinc/86/81/92/1269868192.db2.gz XHJWTCSETCOXFS-SWLSCSKDSA-N 1 1 349.410 2.743 20 10 EFCDMO Cc1cc([O-])c(C[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)cc1Cl ZINC000825440125 1278548941 /nfs/dbraw/zinc/54/89/41/1278548941.db2.gz BWBWOMHQVCSMFN-UHFFFAOYSA-N 1 1 349.862 2.979 20 10 EFCDMO CCC/C(C)=C/C(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000742916811 1270316165 /nfs/dbraw/zinc/31/61/65/1270316165.db2.gz OVDZBIUHXPBJRI-WUKNDPDISA-N 1 1 345.487 2.680 20 10 EFCDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000743375364 1270568671 /nfs/dbraw/zinc/56/86/71/1270568671.db2.gz GUKHECCEQLDNCW-QGZVFWFLSA-N 1 1 340.423 2.827 20 10 EFCDMO CN(Cc1ccccc1)[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000743375364 1270568675 /nfs/dbraw/zinc/56/86/75/1270568675.db2.gz GUKHECCEQLDNCW-QGZVFWFLSA-N 1 1 340.423 2.827 20 10 EFCDMO CN(Cc1ccccc1)[C@@H]1CC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000743375364 1270568678 /nfs/dbraw/zinc/56/86/78/1270568678.db2.gz GUKHECCEQLDNCW-QGZVFWFLSA-N 1 1 340.423 2.827 20 10 EFCDMO CCN(C(=O)c1ccc(N=NC(N)=O)cc1)[C@H]1CC[N@H+](C(C)C)C1 ZINC001034051914 1270931014 /nfs/dbraw/zinc/93/10/14/1270931014.db2.gz CPVISBOFVBXYIU-HNNXBMFYSA-N 1 1 331.420 2.794 20 10 EFCDMO CCC[N@H+]1CC[C@@H](N(CC)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001034052468 1270931541 /nfs/dbraw/zinc/93/15/41/1270931541.db2.gz IRSPNWDIPHHTHT-OAHLLOKOSA-N 1 1 331.420 2.795 20 10 EFCDMO Cc1cc(C(=O)NCC[N@@H+]2CCC[C@@H]2C)c(C)n1-c1ccccn1 ZINC000744348162 1270982274 /nfs/dbraw/zinc/98/22/74/1270982274.db2.gz GDPIDFZCENXVFK-AWEZNQCLSA-N 1 1 326.444 2.703 20 10 EFCDMO CCOc1ccc(C[N@@H+]2CCSC[C@@H]2c2cnn(C)c2)c(O)c1 ZINC000792191792 1278631129 /nfs/dbraw/zinc/63/11/29/1278631129.db2.gz AFTKIMATPIFPEF-MRXNPFEDSA-N 1 1 333.457 2.815 20 10 EFCDMO CCOc1ccc(C[N@H+]2CCSC[C@@H]2c2cnn(C)c2)c(O)c1 ZINC000792191792 1278631138 /nfs/dbraw/zinc/63/11/38/1278631138.db2.gz AFTKIMATPIFPEF-MRXNPFEDSA-N 1 1 333.457 2.815 20 10 EFCDMO CC[C@@H](C)C[N@H+]1CCCC[C@@H](NC(=O)c2cc(OC)nc(OC)c2)C1 ZINC001034287807 1271565501 /nfs/dbraw/zinc/56/55/01/1271565501.db2.gz ANXXQOAGNBPLIZ-GDBMZVCRSA-N 1 1 349.475 2.729 20 10 EFCDMO COCC[N@@H+](CCc1ccccc1)Cc1cc2c(cc1O)OCO2 ZINC000746051545 1271744355 /nfs/dbraw/zinc/74/43/55/1271744355.db2.gz NYURNCJCLYQJPA-UHFFFAOYSA-N 1 1 329.396 2.812 20 10 EFCDMO CN1[C@@H]2CC[C@H]1C[C@H]([N@H+](C)Cc1ccc(N3CCOCC3)cc1)C2 ZINC001169139675 1272700564 /nfs/dbraw/zinc/70/05/64/1272700564.db2.gz DCSAXZIPKOZOJK-ACDBMABISA-N 1 1 329.488 2.580 20 10 EFCDMO CN1[C@@H]2CC[C@H]1C[C@H]([N@@H+](C)Cc1ccc(N3CCOCC3)cc1)C2 ZINC001169139675 1272700568 /nfs/dbraw/zinc/70/05/68/1272700568.db2.gz DCSAXZIPKOZOJK-ACDBMABISA-N 1 1 329.488 2.580 20 10 EFCDMO CN(Cc1ccc(N2CCOCC2)cc1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169139675 1272700582 /nfs/dbraw/zinc/70/05/82/1272700582.db2.gz DCSAXZIPKOZOJK-ACDBMABISA-N 1 1 329.488 2.580 20 10 EFCDMO CN(Cc1ccc(N2CCOCC2)cc1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169139675 1272700588 /nfs/dbraw/zinc/70/05/88/1272700588.db2.gz DCSAXZIPKOZOJK-ACDBMABISA-N 1 1 329.488 2.580 20 10 EFCDMO CC[NH+]1CCC(C[NH2+]Cc2c([O-])cccc2Br)CC1 ZINC000706871951 1275066091 /nfs/dbraw/zinc/06/60/91/1275066091.db2.gz RSUDGBZVQHXGML-UHFFFAOYSA-N 1 1 327.266 2.976 20 10 EFCDMO COCCC[N@@H+](CCOC)Cc1c(O)cccc1Br ZINC000707144554 1275327890 /nfs/dbraw/zinc/32/78/90/1275327890.db2.gz PDADECRVZFRVMO-UHFFFAOYSA-N 1 1 332.238 2.640 20 10 EFCDMO COc1ccc(N(C)CC[N@H+](C)CC(=O)N(C(C)C)C(C)C)cc1 ZINC000844399847 1278947784 /nfs/dbraw/zinc/94/77/84/1278947784.db2.gz PWNKEIPVCWTQJV-UHFFFAOYSA-N 1 1 335.492 2.709 20 10 EFCDMO COc1ccc(N(C)CC[N@@H+](C)CC(=O)N(C(C)C)C(C)C)cc1 ZINC000844399847 1278947791 /nfs/dbraw/zinc/94/77/91/1278947791.db2.gz PWNKEIPVCWTQJV-UHFFFAOYSA-N 1 1 335.492 2.709 20 10 EFCDMO CCC(C)(C)NC(=O)[C@H](C)[N@@H+](C)CCN(C)c1ccc(OC)cc1 ZINC000844399507 1278948546 /nfs/dbraw/zinc/94/85/46/1278948546.db2.gz KWCRSXWAPDNNEQ-HNNXBMFYSA-N 1 1 335.492 2.757 20 10 EFCDMO COc1ccc(N(C)CC[N@H+](C)Cc2cc3n(n2)CCCC3)cc1 ZINC000844401418 1278951853 /nfs/dbraw/zinc/95/18/53/1278951853.db2.gz LBBIVRDBSBQADE-UHFFFAOYSA-N 1 1 328.460 2.796 20 10 EFCDMO COc1ccc(N(C)CC[N@@H+](C)Cc2cc3n(n2)CCCC3)cc1 ZINC000844401418 1278951872 /nfs/dbraw/zinc/95/18/72/1278951872.db2.gz LBBIVRDBSBQADE-UHFFFAOYSA-N 1 1 328.460 2.796 20 10 EFCDMO COC(=O)[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2O)[C@@H]1C ZINC000787326811 1275758113 /nfs/dbraw/zinc/75/81/13/1275758113.db2.gz KDRLTYKOYUFKRF-NOZJJQNGSA-N 1 1 325.792 2.632 20 10 EFCDMO COC(=O)[C@@H]1CC[N@@H+](Cc2cc(Br)cc(C)c2O)[C@H]1C ZINC000787420065 1275769254 /nfs/dbraw/zinc/76/92/54/1275769254.db2.gz CTLAYUPMFILMCG-GXFFZTMASA-N 1 1 342.233 2.847 20 10 EFCDMO CC(C)OCC[C@H](O)C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000788274463 1276124160 /nfs/dbraw/zinc/12/41/60/1276124160.db2.gz HODWHAUVXCLENQ-ROUUACIJSA-N 1 1 337.460 2.549 20 10 EFCDMO C[C@@H](CN1CCOCC1)[N@@H+](C)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000788379544 1276157963 /nfs/dbraw/zinc/15/79/63/1276157963.db2.gz VLQSMAPEQPOCDU-AWEZNQCLSA-N 1 1 336.476 2.548 20 10 EFCDMO COCCN1CC[C@H]([NH2+][C@@H](C)c2cccc(C(F)(F)F)c2O)C1 ZINC000788596306 1276235927 /nfs/dbraw/zinc/23/59/27/1276235927.db2.gz YRTSZRUWRDAHPM-RYUDHWBXSA-N 1 1 332.366 2.782 20 10 EFCDMO CCc1nncn1CC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000788748753 1276310543 /nfs/dbraw/zinc/31/05/43/1276310543.db2.gz AIKOAENKXRATTO-JTQLQIEISA-N 1 1 328.338 2.916 20 10 EFCDMO C[C@@H]1CN(c2ccc(CN[C@@H]3CC[NH2+]CC[C@@H]3C)cc2F)C[C@@H](C)O1 ZINC000817888836 1276347550 /nfs/dbraw/zinc/34/75/50/1276347550.db2.gz PTPNBDLGIBWUTN-WFXMFSGNSA-N 1 1 349.494 2.917 20 10 EFCDMO CCN(CC)c1ccc(CN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000817890507 1276347946 /nfs/dbraw/zinc/34/79/46/1276347946.db2.gz YZHVCZPXTJJAGZ-XUVXKRRUSA-N 1 1 331.504 2.780 20 10 EFCDMO CCN(CC)c1ccc(CN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000817890505 1276348226 /nfs/dbraw/zinc/34/82/26/1276348226.db2.gz YZHVCZPXTJJAGZ-SLFFLAALSA-N 1 1 331.504 2.780 20 10 EFCDMO C[C@@H]1C[C@@H](C)[N@@H+](Cc2cccc(Br)c2[O-])C[C@@H]1C[NH3+] ZINC000817865970 1276351227 /nfs/dbraw/zinc/35/12/27/1276351227.db2.gz QFIFCUJNBDUJDO-WZRBSPASSA-N 1 1 327.266 2.960 20 10 EFCDMO COc1ccc([C@@H](C)[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)cc1O ZINC000817940325 1276385284 /nfs/dbraw/zinc/38/52/84/1276385284.db2.gz GBBQOKSYEXIJOD-CXAGYDPISA-N 1 1 329.444 2.817 20 10 EFCDMO COC(=O)c1csc([C@@H](C)[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)c1 ZINC000817943268 1276389755 /nfs/dbraw/zinc/38/97/55/1276389755.db2.gz SZFIGBJEZXBQAR-MLGOLLRUSA-N 1 1 347.484 2.951 20 10 EFCDMO C[C@@H](N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1)[C@@H]1CCC[NH2+]C1 ZINC000817947760 1276390383 /nfs/dbraw/zinc/39/03/83/1276390383.db2.gz QJUZCNWYSPGXCK-ZMSDIMECSA-N 1 1 335.467 2.701 20 10 EFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@H]2NCCc3ccccc32)c1 ZINC000817973057 1276415560 /nfs/dbraw/zinc/41/55/60/1276415560.db2.gz BCTKGVYVDAJWGR-UGSOOPFHSA-N 1 1 340.423 2.716 20 10 EFCDMO Cc1cc(Br)cc([C@H](C)NC[C@@H]2C[C@H](F)C[NH2+]2)c1O ZINC000817976038 1276416731 /nfs/dbraw/zinc/41/67/31/1276416731.db2.gz DWMPIAWSIPBAHX-DLOVCJGASA-N 1 1 331.229 2.814 20 10 EFCDMO Cc1cc(Br)cc([C@@H](C)NC[C@@H]2C[C@H](F)C[NH2+]2)c1O ZINC000817976039 1276416809 /nfs/dbraw/zinc/41/68/09/1276416809.db2.gz DWMPIAWSIPBAHX-USWWRNFRSA-N 1 1 331.229 2.814 20 10 EFCDMO C[C@@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1ccc(Br)cc1[O-] ZINC000817976631 1276417337 /nfs/dbraw/zinc/41/73/37/1276417337.db2.gz PWOQKPHMLFRWQM-QMTHXVAHSA-N 1 1 325.250 2.947 20 10 EFCDMO CCC[C@H]([NH2+]C[C@@H]1CCN(c2ccc(OC)cc2)C1)C(=O)OCC ZINC000818116612 1276467202 /nfs/dbraw/zinc/46/72/02/1276467202.db2.gz MYNOKAIEIDRZPD-YJBOKZPZSA-N 1 1 334.460 2.843 20 10 EFCDMO CCCN1CCC([NH2+]C[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1 ZINC000818345781 1276512989 /nfs/dbraw/zinc/51/29/89/1276512989.db2.gz XWRSFFFRJMNXTM-KRWDZBQOSA-N 1 1 331.504 2.986 20 10 EFCDMO C[C@]12CC[N@@H+](Cc3cc4c(cc3O)OC[C@H]4O)C[C@H]1C2(Cl)Cl ZINC000789486469 1276748041 /nfs/dbraw/zinc/74/80/41/1276748041.db2.gz LUMXRLLBYLJUKA-YUELXQCFSA-N 1 1 344.238 2.834 20 10 EFCDMO C[N@@H+](C[C@@H](O)CNc1ccccc1OC[C@@H]1CCCCO1)C1CC1 ZINC000819425568 1276782360 /nfs/dbraw/zinc/78/23/60/1276782360.db2.gz DGEOCEAVDZMRPL-IRXDYDNUSA-N 1 1 334.460 2.502 20 10 EFCDMO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819582455 1276824783 /nfs/dbraw/zinc/82/47/83/1276824783.db2.gz MBWONVLVSRHRSS-LPHOPBHVSA-N 1 1 345.487 2.512 20 10 EFCDMO CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819583468 1276825464 /nfs/dbraw/zinc/82/54/64/1276825464.db2.gz WVVBDOSHLIXDCE-APWZRJJASA-N 1 1 345.487 2.512 20 10 EFCDMO COC(=O)CC[N@@H+](Cc1ccc(N(C)C)c(C)c1)C1CCOCC1 ZINC000815055376 1287271896 /nfs/dbraw/zinc/27/18/96/1287271896.db2.gz YMKUHZKLXNBHEA-UHFFFAOYSA-N 1 1 334.460 2.605 20 10 EFCDMO CC[N@@H+](Cc1ccc(C(=O)OC)n1C)Cc1ccc(N(C)C)cc1 ZINC000820852025 1277347763 /nfs/dbraw/zinc/34/77/63/1277347763.db2.gz YEUAPHDNKKXYGP-UHFFFAOYSA-N 1 1 329.444 2.900 20 10 EFCDMO C[N@@H+]1CCCC[C@H]1C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000820871213 1277352113 /nfs/dbraw/zinc/35/21/13/1277352113.db2.gz CVGBFGJONFEFJJ-KRWDZBQOSA-N 1 1 328.412 2.998 20 10 EFCDMO C[N@H+]1CCCC[C@H]1C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000820871213 1277352121 /nfs/dbraw/zinc/35/21/21/1277352121.db2.gz CVGBFGJONFEFJJ-KRWDZBQOSA-N 1 1 328.412 2.998 20 10 EFCDMO C[C@@H]1OCC[C@]12C[N@@H+](Cc1c(O)ccc3ccncc31)C[C@@H](C)O2 ZINC000790399763 1277539234 /nfs/dbraw/zinc/53/92/34/1277539234.db2.gz HOCYTHDRWHJVHF-TYILLQQXSA-N 1 1 328.412 2.709 20 10 EFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@H]2N(C)CCCC2(C)C)c1 ZINC000790495759 1277600401 /nfs/dbraw/zinc/60/04/01/1277600401.db2.gz ANSVSXREKZTBSN-SUMWQHHRSA-N 1 1 334.460 2.950 20 10 EFCDMO Cc1cc(C[N@@H+](CCC(N)=O)Cc2ccccc2)ccc1N(C)C ZINC000815063982 1287287426 /nfs/dbraw/zinc/28/74/26/1287287426.db2.gz VPHJBNOQTUDETC-UHFFFAOYSA-N 1 1 325.456 2.939 20 10 EFCDMO Cc1cc(C[N@@H+](C)CC(C)(C)CN2CCOCC2)ccc1N(C)C ZINC000815076060 1287300566 /nfs/dbraw/zinc/30/05/66/1287300566.db2.gz JYVJEMZVVQJUBC-UHFFFAOYSA-N 1 1 333.520 2.851 20 10 EFCDMO C[C@H](O)C[C@@H]1CCCC[N@@H+]1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000790934312 1277853500 /nfs/dbraw/zinc/85/35/00/1277853500.db2.gz KHKARUHHZGHOSL-PXNSSMCTSA-N 1 1 331.504 2.564 20 10 EFCDMO C[C@H](O)C[C@@H]1CCCC[N@H+]1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000790934312 1277853501 /nfs/dbraw/zinc/85/35/01/1277853501.db2.gz KHKARUHHZGHOSL-PXNSSMCTSA-N 1 1 331.504 2.564 20 10 EFCDMO CS(=O)(=O)[C@H]1CCC[C@H]([NH2+]Cc2c(O)ccc(Cl)c2F)C1 ZINC000790971378 1277887743 /nfs/dbraw/zinc/88/77/43/1277887743.db2.gz WEJDCEJYXYRKQZ-UWVGGRQHSA-N 1 1 335.828 2.630 20 10 EFCDMO Cc1cc(N(C)C)ccc1CNC(=O)NCc1c[nH+]c2n1CCCC2 ZINC000790970959 1277888543 /nfs/dbraw/zinc/88/85/43/1277888543.db2.gz MAXILRVULNCYQK-UHFFFAOYSA-N 1 1 341.459 2.593 20 10 EFCDMO CCO[C@@H]1C[C@@](CO)([NH2+]Cc2c(O)ccc(Cl)c2F)C1(C)C ZINC000790992498 1277895194 /nfs/dbraw/zinc/89/51/94/1277895194.db2.gz LYDSXRZJJJTZQQ-CJNGLKHVSA-N 1 1 331.815 2.840 20 10 EFCDMO CCc1nocc1C[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000815121230 1287315716 /nfs/dbraw/zinc/31/57/16/1287315716.db2.gz XZCQPXIDAKIVJA-UHFFFAOYSA-N 1 1 333.407 2.627 20 10 EFCDMO Cc1cc(C[NH+]2CCN(C(=O)NC(C)(C)C)CC2)ccc1N(C)C ZINC000815093752 1287320788 /nfs/dbraw/zinc/32/07/88/1287320788.db2.gz RSCCNMBIKFTHMD-UHFFFAOYSA-N 1 1 332.492 2.687 20 10 EFCDMO CC(C)[N@H+]1CC[C@@H](CNC(=O)NCc2cc(Cl)ccc2O)C1 ZINC000844521996 1279052502 /nfs/dbraw/zinc/05/25/02/1279052502.db2.gz JZLYZPLACHPYIP-LBPRGKRZSA-N 1 1 325.840 2.575 20 10 EFCDMO CCN(C)c1ccc(CN2CC[N@H+](C3CCOCC3)C[C@H]2C)cc1 ZINC000815104729 1287326305 /nfs/dbraw/zinc/32/63/05/1287326305.db2.gz SHLGDOKPJDORRU-QGZVFWFLSA-N 1 1 331.504 2.828 20 10 EFCDMO CN1CCN(c2ccc(C[NH2+]C[C@@H](CO)C3CCCCC3)cc2)CC1 ZINC000815150485 1287328908 /nfs/dbraw/zinc/32/89/08/1287328908.db2.gz GAAUXWCNNPWJQL-FQEVSTJZSA-N 1 1 345.531 2.717 20 10 EFCDMO COc1ccc(CNC(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c(O)c1 ZINC000792827983 1279187501 /nfs/dbraw/zinc/18/75/01/1279187501.db2.gz FSOCSWCHYLOKDQ-GASCZTMLSA-N 1 1 349.475 2.568 20 10 EFCDMO CN1CC[N@H+](Cc2c(O)ccc3cc(Br)ccc32)CC1=O ZINC000844727474 1279204554 /nfs/dbraw/zinc/20/45/54/1279204554.db2.gz GCWOGMRBUBILTP-UHFFFAOYSA-N 1 1 349.228 2.582 20 10 EFCDMO CN1CC[N@@H+](Cc2c(O)ccc3cc(Br)ccc32)CC1=O ZINC000844727474 1279204564 /nfs/dbraw/zinc/20/45/64/1279204564.db2.gz GCWOGMRBUBILTP-UHFFFAOYSA-N 1 1 349.228 2.582 20 10 EFCDMO [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3c([O-])ccc(Cl)c3F)C2)C1 ZINC000844902513 1279324102 /nfs/dbraw/zinc/32/41/02/1279324102.db2.gz OIPDXHLPNHBUAF-OZVIIMIRSA-N 1 1 342.842 2.903 20 10 EFCDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCc1cc(Cl)ccc1O ZINC000844914278 1279333724 /nfs/dbraw/zinc/33/37/24/1279333724.db2.gz GJXFZHBZCJRUDR-OLZOCXBDSA-N 1 1 339.867 2.965 20 10 EFCDMO CN(C)c1ccc(C[N@H+]2CCCNC(=O)[C@@H]2Cc2ccccc2)cc1 ZINC000815140772 1287343516 /nfs/dbraw/zinc/34/35/16/1287343516.db2.gz IXAIBKFFMNRBHL-FQEVSTJZSA-N 1 1 337.467 2.686 20 10 EFCDMO Oc1cc(F)c(Br)cc1CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001144300254 1279380955 /nfs/dbraw/zinc/38/09/55/1279380955.db2.gz ZGDOKLMVCKOTMH-GFCCVEGCSA-N 1 1 343.240 2.964 20 10 EFCDMO Oc1cc(F)c(Br)cc1CN1CC[N@H+]2CCCC[C@@H]2C1 ZINC001144300254 1279380965 /nfs/dbraw/zinc/38/09/65/1279380965.db2.gz ZGDOKLMVCKOTMH-GFCCVEGCSA-N 1 1 343.240 2.964 20 10 EFCDMO Oc1cc(F)c(Br)cc1CN1CC[N@@H+]2CCC[C@H]2C1 ZINC001144299946 1279388740 /nfs/dbraw/zinc/38/87/40/1279388740.db2.gz NBBBMADIMWQDSC-NSHDSACASA-N 1 1 329.213 2.574 20 10 EFCDMO Oc1cc(F)c(Br)cc1CN1CC[N@H+]2CCC[C@H]2C1 ZINC001144299946 1279388752 /nfs/dbraw/zinc/38/87/52/1279388752.db2.gz NBBBMADIMWQDSC-NSHDSACASA-N 1 1 329.213 2.574 20 10 EFCDMO CCn1ncnc1C[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000793344412 1279536472 /nfs/dbraw/zinc/53/64/72/1279536472.db2.gz TZAKWONSFSSKMT-UHFFFAOYSA-N 1 1 338.411 2.872 20 10 EFCDMO Oc1ccc(Br)cc1CNc1c[nH+]c2c(c1)CCCN2 ZINC001171176051 1279588172 /nfs/dbraw/zinc/58/81/72/1279588172.db2.gz JCCHZROLZKYJCM-UHFFFAOYSA-N 1 1 334.217 2.808 20 10 EFCDMO C[C@@H]1CN(Cc2ccc(F)cc2)CC[N@H+]1Cc1c(O)cc(O)cc1O ZINC001144499194 1279740911 /nfs/dbraw/zinc/74/09/11/1279740911.db2.gz DPFPJNOYFDDQCA-CYBMUJFWSA-N 1 1 346.402 2.649 20 10 EFCDMO COC(=O)[C@@H]1CC[N@@H+](Cc2c(O)cc(O)cc2O)[C@H]1c1ccccc1 ZINC001144504501 1279747893 /nfs/dbraw/zinc/74/78/93/1279747893.db2.gz SCSSZQVTNWVGEY-KDOFPFPSSA-N 1 1 343.379 2.540 20 10 EFCDMO CC[C@H]1CN(Cc2ccccc2)CC[N@H+]1Cc1c(O)cc(O)cc1O ZINC001144515960 1279777994 /nfs/dbraw/zinc/77/79/94/1279777994.db2.gz KOSRITHWIRMVAI-INIZCTEOSA-N 1 1 342.439 2.900 20 10 EFCDMO COc1ccc(O)c(C[N@H+]2CCN(C)[C@H](Cc3ccccc3)C2)c1 ZINC000793619545 1279779766 /nfs/dbraw/zinc/77/97/66/1279779766.db2.gz HAVONUJIPAVJQW-GOSISDBHSA-N 1 1 326.440 2.760 20 10 EFCDMO COc1ccc(O)c(CN2CC[N@H+](C)[C@H](Cc3ccccc3)C2)c1 ZINC000793619545 1279779774 /nfs/dbraw/zinc/77/97/74/1279779774.db2.gz HAVONUJIPAVJQW-GOSISDBHSA-N 1 1 326.440 2.760 20 10 EFCDMO COc1ccc(O)c(CN2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)c1 ZINC000793619545 1279779779 /nfs/dbraw/zinc/77/97/79/1279779779.db2.gz HAVONUJIPAVJQW-GOSISDBHSA-N 1 1 326.440 2.760 20 10 EFCDMO COc1cccc(O)c1C[N@H+]1CCN(C)[C@H](Cc2ccccc2)C1 ZINC000793619593 1279779897 /nfs/dbraw/zinc/77/98/97/1279779897.db2.gz IDAYWWRIAYOARS-QGZVFWFLSA-N 1 1 326.440 2.760 20 10 EFCDMO COc1cccc(O)c1CN1CC[N@H+](C)[C@H](Cc2ccccc2)C1 ZINC000793619593 1279779903 /nfs/dbraw/zinc/77/99/03/1279779903.db2.gz IDAYWWRIAYOARS-QGZVFWFLSA-N 1 1 326.440 2.760 20 10 EFCDMO COc1cccc(O)c1CN1CC[N@@H+](C)[C@H](Cc2ccccc2)C1 ZINC000793619593 1279779908 /nfs/dbraw/zinc/77/99/08/1279779908.db2.gz IDAYWWRIAYOARS-QGZVFWFLSA-N 1 1 326.440 2.760 20 10 EFCDMO CC[C@@H]1COC(C)(C)C[N@@H+]1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000846027757 1279986955 /nfs/dbraw/zinc/98/69/55/1279986955.db2.gz QAPRDPQDWHHUSV-GOSISDBHSA-N 1 1 331.504 2.828 20 10 EFCDMO CC[C@@H]1COC(C)(C)C[N@H+]1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000846027757 1279986961 /nfs/dbraw/zinc/98/69/61/1279986961.db2.gz QAPRDPQDWHHUSV-GOSISDBHSA-N 1 1 331.504 2.828 20 10 EFCDMO CCN1C[C@@H](C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2O)CC1=O ZINC000846208705 1280055788 /nfs/dbraw/zinc/05/57/88/1280055788.db2.gz LNTSDIQWQPQVOW-WDEREUQCSA-N 1 1 330.350 2.930 20 10 EFCDMO COc1ccc(N2CC[NH+]([C@H](C)c3cccnc3)CC2)c(OC)c1 ZINC000846748610 1280473949 /nfs/dbraw/zinc/47/39/49/1280473949.db2.gz CFVRFEJGXBTSAK-OAHLLOKOSA-N 1 1 327.428 2.982 20 10 EFCDMO C[C@H]1C[C@H](NC(=O)NCc2cc(Cl)cc(Cl)c2O)CC[N@@H+]1C ZINC000805187746 1280473823 /nfs/dbraw/zinc/47/38/23/1280473823.db2.gz VKTGYVZZCPRCHF-JOYOIKCWSA-N 1 1 346.258 2.981 20 10 EFCDMO C[C@H]1C[C@H](NC(=O)NCc2cc(Cl)cc(Cl)c2O)CC[N@H+]1C ZINC000805187746 1280473831 /nfs/dbraw/zinc/47/38/31/1280473831.db2.gz VKTGYVZZCPRCHF-JOYOIKCWSA-N 1 1 346.258 2.981 20 10 EFCDMO CCCNC(=O)CCC[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000846824061 1280519499 /nfs/dbraw/zinc/51/94/99/1280519499.db2.gz GSFBOWFOUIZTRN-QGZVFWFLSA-N 1 1 334.460 2.680 20 10 EFCDMO CCN(C)c1ccc(CN2CCC([N@@H+]3CCOC[C@H]3C)CC2)cc1 ZINC000846914092 1280637630 /nfs/dbraw/zinc/63/76/30/1280637630.db2.gz WUGZNQWEPCFBRO-QGZVFWFLSA-N 1 1 331.504 2.828 20 10 EFCDMO CCN(C)c1ccc(CN2CCC([N@H+]3CCOC[C@H]3C)CC2)cc1 ZINC000846914092 1280637638 /nfs/dbraw/zinc/63/76/38/1280637638.db2.gz WUGZNQWEPCFBRO-QGZVFWFLSA-N 1 1 331.504 2.828 20 10 EFCDMO CC[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806157654 1280995377 /nfs/dbraw/zinc/99/53/77/1280995377.db2.gz AOBRSDLWXWALKZ-DZGCQCFKSA-N 1 1 333.259 2.806 20 10 EFCDMO CC[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806157654 1280995383 /nfs/dbraw/zinc/99/53/83/1280995383.db2.gz AOBRSDLWXWALKZ-DZGCQCFKSA-N 1 1 333.259 2.806 20 10 EFCDMO CCC[N@H+]1CCC[C@H]1CNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000806433018 1281057268 /nfs/dbraw/zinc/05/72/68/1281057268.db2.gz DISJHEPFCLCICM-IBGZPJMESA-N 1 1 344.503 2.960 20 10 EFCDMO CC[C@H]([NH2+][C@@H](CCSC)C(=O)N(C)C)c1ccc(F)cc1O ZINC000806663512 1281127916 /nfs/dbraw/zinc/12/79/16/1281127916.db2.gz WYHMAPLFHBCMSE-KBPBESRZSA-N 1 1 328.453 2.782 20 10 EFCDMO COc1ccc(O)c([C@H](C)NC(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC000103603683 1281260508 /nfs/dbraw/zinc/26/05/08/1281260508.db2.gz NPKNVHLPCXBFPQ-ILXRZTDVSA-N 1 1 349.475 2.881 20 10 EFCDMO COC[C@]1(C)CC(=O)N(C[N@@H+](Cc2ccc(N(C)C)cc2)C(C)C)C1 ZINC000747452375 1281511310 /nfs/dbraw/zinc/51/13/10/1281511310.db2.gz PUPXFRQUICDTNN-HXUWFJFHSA-N 1 1 347.503 2.806 20 10 EFCDMO CC(C)n1cc(C[NH2+]Cc2ccc(N3CCSCC3)cc2)nn1 ZINC000808378924 1281685428 /nfs/dbraw/zinc/68/54/28/1281685428.db2.gz ARDUZBVJSOZTGR-UHFFFAOYSA-N 1 1 331.489 2.702 20 10 EFCDMO CC(C)n1cc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)nn1 ZINC000808383762 1281686265 /nfs/dbraw/zinc/68/62/65/1281686265.db2.gz PPWXRSJKAPXKQO-HNNXBMFYSA-N 1 1 329.448 2.546 20 10 EFCDMO CCNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1ccc(OCC)cc1O ZINC000809691700 1282379337 /nfs/dbraw/zinc/37/93/37/1282379337.db2.gz QAWKCRXFLKVOOG-HNNXBMFYSA-N 1 1 336.432 2.892 20 10 EFCDMO CCOc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)c(O)c1 ZINC000809697524 1282380272 /nfs/dbraw/zinc/38/02/72/1282380272.db2.gz IIZVRJRQKFMAIS-TZMCWYRMSA-N 1 1 333.350 2.784 20 10 EFCDMO COc1cc(Br)cc(C[N@@H+](C)[C@H]2CCCOC2)c1O ZINC000809692714 1282381617 /nfs/dbraw/zinc/38/16/17/1282381617.db2.gz FJIBVVYURMTVRI-LBPRGKRZSA-N 1 1 330.222 2.774 20 10 EFCDMO CCC[N@@H+](CCN1CCCC1)Cc1ccc(N2CCOCC2)cc1 ZINC000809700424 1282384638 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CC[N@H+](C)C[C@@H]1CCN(Cc2cccc(Br)c2O)C1 ZINC000093770403 1291214663 /nfs/dbraw/zinc/21/46/63/1291214663.db2.gz HVCIHNWICGSFTM-LBPRGKRZSA-N 1 1 327.266 2.928 20 10 EFCDMO CC[N@@H+](C)C[C@@H]1CCN(Cc2cccc(Br)c2O)C1 ZINC000093770403 1291214669 /nfs/dbraw/zinc/21/46/69/1291214669.db2.gz HVCIHNWICGSFTM-LBPRGKRZSA-N 1 1 327.266 2.928 20 10 EFCDMO COC(=O)[C@]1(C)CC[N@H+](Cc2cccc(Br)c2O)C1 ZINC000093813814 1291218744 /nfs/dbraw/zinc/21/87/44/1291218744.db2.gz RQFCWBRJOQRTSZ-CQSZACIVSA-N 1 1 328.206 2.540 20 10 EFCDMO COC(=O)[C@]1(C)CC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000093813814 1291218748 /nfs/dbraw/zinc/21/87/48/1291218748.db2.gz RQFCWBRJOQRTSZ-CQSZACIVSA-N 1 1 328.206 2.540 20 10 EFCDMO CC[C@@]1(CO)CCC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877438117 1291232437 /nfs/dbraw/zinc/23/24/37/1291232437.db2.gz BZKYYKKFYAPQAA-HXUWFJFHSA-N 1 1 332.488 2.632 20 10 EFCDMO C[C@H](O)C[C@@H]1CCCC[N@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877486474 1291246271 /nfs/dbraw/zinc/24/62/71/1291246271.db2.gz NYFHRXZYXPBOBX-LPHOPBHVSA-N 1 1 332.488 2.773 20 10 EFCDMO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@H+]2Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877517207 1291254646 /nfs/dbraw/zinc/25/46/46/1291254646.db2.gz MJRYUMBRRZJWIB-ILACCBGSSA-N 1 1 342.483 2.503 20 10 EFCDMO COc1ccc(C(=O)N2CC[NH+](Cc3ccc(C)cc3O)CC2)cc1 ZINC000877523363 1291258046 /nfs/dbraw/zinc/25/80/46/1291258046.db2.gz YFWKEMKOZOZUCV-UHFFFAOYSA-N 1 1 340.423 2.667 20 10 EFCDMO CC(C)C[N@@H+](CCN(C)C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877522533 1291259367 /nfs/dbraw/zinc/25/93/67/1291259367.db2.gz BSZABJVCZKMZQE-UHFFFAOYSA-N 1 1 333.520 2.667 20 10 EFCDMO NC(=O)c1csc(C[NH2+]Cc2cccc(Br)c2O)c1 ZINC000775153936 1291263324 /nfs/dbraw/zinc/26/33/24/1291263324.db2.gz XEOQXAVLSQSYRI-UHFFFAOYSA-N 1 1 341.230 2.605 20 10 EFCDMO CCC[N@@H+](CC)C[C@@H](C)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000877543122 1291267140 /nfs/dbraw/zinc/26/71/40/1291267140.db2.gz XVPNVDYDNQQAIP-QGZVFWFLSA-N 1 1 333.520 2.858 20 10 EFCDMO CCCN(CC)C[C@@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877543122 1291267145 /nfs/dbraw/zinc/26/71/45/1291267145.db2.gz XVPNVDYDNQQAIP-QGZVFWFLSA-N 1 1 333.520 2.858 20 10 EFCDMO CCC[N@@H+](CC)C[C@H](C)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000877543121 1291267690 /nfs/dbraw/zinc/26/76/90/1291267690.db2.gz XVPNVDYDNQQAIP-KRWDZBQOSA-N 1 1 333.520 2.858 20 10 EFCDMO CCCN(CC)C[C@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877543121 1291267698 /nfs/dbraw/zinc/26/76/98/1291267698.db2.gz XVPNVDYDNQQAIP-KRWDZBQOSA-N 1 1 333.520 2.858 20 10 EFCDMO OC1CCN(c2ccc(C[N@H+]3CCOC[C@H](C4CCC4)C3)cc2)CC1 ZINC000877545274 1291269192 /nfs/dbraw/zinc/26/91/92/1291269192.db2.gz DYHIKUALHPMKIK-LJQANCHMSA-N 1 1 344.499 2.896 20 10 EFCDMO C[C@H]1CN(Cc2ccc(N3CCC(O)CC3)cc2)CC[N@H+](C2CC2)C1 ZINC000877555487 1291274464 /nfs/dbraw/zinc/27/44/64/1291274464.db2.gz ZRCNULWSBUKYCH-KRWDZBQOSA-N 1 1 343.515 2.564 20 10 EFCDMO C[C@@H]1CN(C2CC2)CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877555487 1291274472 /nfs/dbraw/zinc/27/44/72/1291274472.db2.gz ZRCNULWSBUKYCH-KRWDZBQOSA-N 1 1 343.515 2.564 20 10 EFCDMO C[C@@H]1CN(C2CC2)CC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877555487 1291274481 /nfs/dbraw/zinc/27/44/81/1291274481.db2.gz ZRCNULWSBUKYCH-KRWDZBQOSA-N 1 1 343.515 2.564 20 10 EFCDMO Cc1ccc2c(c1)C[N@H+](Cc1cc3c(cc1O)OC[C@H]3O)CCO2 ZINC000795712033 1291278887 /nfs/dbraw/zinc/27/88/87/1291278887.db2.gz VJGFUVSERNRYHB-QGZVFWFLSA-N 1 1 327.380 2.521 20 10 EFCDMO C[N@H+](CCN1CCCCC1)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877615429 1291291399 /nfs/dbraw/zinc/29/13/99/1291291399.db2.gz RHFQREJBWZZIMA-UHFFFAOYSA-N 1 1 331.504 2.565 20 10 EFCDMO C[N@@H+](CCN1CCCCC1)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877615429 1291291407 /nfs/dbraw/zinc/29/14/07/1291291407.db2.gz RHFQREJBWZZIMA-UHFFFAOYSA-N 1 1 331.504 2.565 20 10 EFCDMO C[C@H]1C[N@H+](Cc2ccc(OCc3ccccc3)cc2O)C[C@@H](CO)O1 ZINC000249285187 1291341148 /nfs/dbraw/zinc/34/11/48/1291341148.db2.gz LKPYGTUDAPEZKZ-KXBFYZLASA-N 1 1 343.423 2.553 20 10 EFCDMO C[C@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)C[C@@H](CO)O1 ZINC000249285187 1291341154 /nfs/dbraw/zinc/34/11/54/1291341154.db2.gz LKPYGTUDAPEZKZ-KXBFYZLASA-N 1 1 343.423 2.553 20 10 EFCDMO CCNC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(Br)cc(C)c1O ZINC001233111250 1312856432 /nfs/dbraw/zinc/85/64/32/1312856432.db2.gz MMYZOBQLESCUAC-ZDUSSCGKSA-N 1 1 341.249 2.564 20 10 EFCDMO CCNC(=O)[C@@H]1CCC[N@H+]1Cc1cc(Br)cc(C)c1O ZINC001233111250 1312856435 /nfs/dbraw/zinc/85/64/35/1312856435.db2.gz MMYZOBQLESCUAC-ZDUSSCGKSA-N 1 1 341.249 2.564 20 10 EFCDMO Cc1cc(Br)cc(CN2CCC[C@@H]3C[N@H+](C)C[C@H]32)c1O ZINC001233109804 1312856502 /nfs/dbraw/zinc/85/65/02/1312856502.db2.gz GZONGYWWLLGPKR-IUODEOHRSA-N 1 1 339.277 2.989 20 10 EFCDMO Cc1cc(Br)cc(CN2CCC[C@@H]3C[N@H+](C)C[C@@H]32)c1O ZINC001233109802 1312856779 /nfs/dbraw/zinc/85/67/79/1312856779.db2.gz GZONGYWWLLGPKR-DOMZBBRYSA-N 1 1 339.277 2.989 20 10 EFCDMO Cc1cc(Br)cc(CN2C[C@H]3CCC[N@H+](C)[C@@H]3C2)c1O ZINC001233111178 1312856939 /nfs/dbraw/zinc/85/69/39/1312856939.db2.gz KAECIKZNLYEINJ-IUODEOHRSA-N 1 1 339.277 2.989 20 10 EFCDMO Cc1cc(Br)cc(C[N@H+]2C[C@H]3CCCN(C)[C@@H]3C2)c1O ZINC001233111178 1312856943 /nfs/dbraw/zinc/85/69/43/1312856943.db2.gz KAECIKZNLYEINJ-IUODEOHRSA-N 1 1 339.277 2.989 20 10 EFCDMO Cc1cc(Br)cc(C[N@@H+]2C[C@H]3CCCN(C)[C@@H]3C2)c1O ZINC001233111178 1312856946 /nfs/dbraw/zinc/85/69/46/1312856946.db2.gz KAECIKZNLYEINJ-IUODEOHRSA-N 1 1 339.277 2.989 20 10 EFCDMO COC[C@@H]1C[N@@H+](Cc2cc(OC)cc(C(C)(C)C)c2O)C[C@H](C)O1 ZINC000249459813 1291467096 /nfs/dbraw/zinc/46/70/96/1291467096.db2.gz FDZDPBBLPLZJGJ-BBRMVZONSA-N 1 1 337.460 2.934 20 10 EFCDMO COc1cc(O)c(C[N@H+]2CCCC[C@](C)(O)C2)cc1Br ZINC001233135201 1312863720 /nfs/dbraw/zinc/86/37/20/1312863720.db2.gz ONGRMALHPZDNDW-HNNXBMFYSA-N 1 1 344.249 2.900 20 10 EFCDMO COc1cc(O)c(C[N@H+]2CCC[C@H](C)[C@@H]2CO)cc1Br ZINC001233134848 1312863746 /nfs/dbraw/zinc/86/37/46/1312863746.db2.gz GFBOKRJZCSLGIP-GWCFXTLKSA-N 1 1 344.249 2.756 20 10 EFCDMO COc1cc(O)c(C[N@H+]2CC[C@@]3(CCCO3)C2)cc1Br ZINC001233138164 1312864378 /nfs/dbraw/zinc/86/43/78/1312864378.db2.gz WSMMANPONGEHFU-HNNXBMFYSA-N 1 1 342.233 2.918 20 10 EFCDMO COc1cc(O)c(C[N@H+](C)Cc2cncnc2)cc1Br ZINC001233142335 1312864979 /nfs/dbraw/zinc/86/49/79/1312864979.db2.gz NZJHSDXUAQGYHL-UHFFFAOYSA-N 1 1 338.205 2.585 20 10 EFCDMO COc1cc(O)c(C[N@@H+](C)Cc2cncnc2)cc1Br ZINC001233142335 1312864983 /nfs/dbraw/zinc/86/49/83/1312864983.db2.gz NZJHSDXUAQGYHL-UHFFFAOYSA-N 1 1 338.205 2.585 20 10 EFCDMO COc1cc(O)c(C[N@H+]2CC[C@H](O)C[C@H]2C)cc1Br ZINC001233140321 1312865283 /nfs/dbraw/zinc/86/52/83/1312865283.db2.gz DUWPZUQWMDSCGD-KOLCDFICSA-N 1 1 330.222 2.509 20 10 EFCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+](C)[C@@H]1CCC[C@@H](C)C1)cc2=O ZINC000249734561 1291694378 /nfs/dbraw/zinc/69/43/78/1291694378.db2.gz VODRHZUSWQXCOA-TZMCWYRMSA-N 1 1 346.431 2.622 20 10 EFCDMO CCC(CC)NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000127222984 1291726549 /nfs/dbraw/zinc/72/65/49/1291726549.db2.gz YIPFAXSBNOBWFO-INIZCTEOSA-N 1 1 347.503 2.648 20 10 EFCDMO Cc1cc(C(=O)CN2CC[NH+](C)CC2)c(C)n1-c1ccc(C)c(F)c1 ZINC000022817051 1291742668 /nfs/dbraw/zinc/74/26/68/1291742668.db2.gz QXLIEMQJTQKNMM-UHFFFAOYSA-N 1 1 343.446 2.972 20 10 EFCDMO N#CN1CC[NH+](Cc2c(O)ccc3cc(Br)ccc32)CC1 ZINC001233198303 1312878686 /nfs/dbraw/zinc/87/86/86/1312878686.db2.gz FASDVPSBJIUBNX-UHFFFAOYSA-N 1 1 346.228 2.907 20 10 EFCDMO CN(C)c1ccc(C[N@@H+](C)Cc2ccc(NS(C)(=O)=O)cc2)cc1 ZINC001233268357 1312889445 /nfs/dbraw/zinc/88/94/45/1312889445.db2.gz GUOYBTHYDKTTQE-UHFFFAOYSA-N 1 1 347.484 2.756 20 10 EFCDMO CCOC(=O)c1c(C[N@H+]2CC[C@@H](C)[C@](C)(O)C2)c2ccccc2n1C ZINC001233270350 1312889817 /nfs/dbraw/zinc/88/98/17/1312889817.db2.gz KONSERQHPCDQFF-JLTOFOAXSA-N 1 1 344.455 2.948 20 10 EFCDMO CCOC(=O)c1c(C[N@H+]2CC[C@@](C)(CO)C2)c2ccccc2n1C ZINC001233270431 1312889860 /nfs/dbraw/zinc/88/98/60/1312889860.db2.gz NMDKQNZSJRLRKI-LJQANCHMSA-N 1 1 330.428 2.559 20 10 EFCDMO CCOC(=O)c1c(C[N@H+]2CCC[C@H](CO)C2)c2ccccc2n1C ZINC001233270271 1312889922 /nfs/dbraw/zinc/88/99/22/1312889922.db2.gz HMWOHPIDCQDFQC-AWEZNQCLSA-N 1 1 330.428 2.559 20 10 EFCDMO CCOC(=O)c1c(CN2CC[N@H+]3CCC[C@@H]3C2)c2ccccc2n1C ZINC001233272233 1312890219 /nfs/dbraw/zinc/89/02/19/1312890219.db2.gz CSAVPLATQHHCHU-OAHLLOKOSA-N 1 1 341.455 2.635 20 10 EFCDMO CC(C)(C)c1ccc(O)c(C[NH+]2CCN(C3CCOCC3)CC2)c1 ZINC001233286562 1312895378 /nfs/dbraw/zinc/89/53/78/1312895378.db2.gz ZAGKXBPSFPLEHF-UHFFFAOYSA-N 1 1 332.488 2.986 20 10 EFCDMO CC(C)(C)c1ccc(O)c(C[N@H+]2C[C@](O)(C(F)(F)F)C[C@H]2CO)c1 ZINC001233284395 1312895734 /nfs/dbraw/zinc/89/57/34/1312895734.db2.gz SRKFIBZEEJQGNW-BBRMVZONSA-N 1 1 347.377 2.550 20 10 EFCDMO CC(C)(C)c1ccc(O)c(C[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)c1 ZINC001233283409 1312895783 /nfs/dbraw/zinc/89/57/83/1312895783.db2.gz GDJNYMDUFQDHNV-SFHVURJKSA-N 1 1 346.471 2.513 20 10 EFCDMO CN(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(C(C)(C)C)ccc2O)C1 ZINC001233286645 1312895791 /nfs/dbraw/zinc/89/57/91/1312895791.db2.gz CVSQIRMJBLMMGJ-MRXNPFEDSA-N 1 1 333.476 2.925 20 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/nfs/dbraw/zinc/90/63/42/1312906342.db2.gz QNQMJQITJTYWFN-AWEZNQCLSA-N 1 1 340.414 2.746 20 10 EFCDMO O=C1Nc2ccccc2[C@@]12CC[N@@H+](Cc1c(O)ccc(F)c1F)C2 ZINC001233334158 1312906790 /nfs/dbraw/zinc/90/67/90/1312906790.db2.gz WDKQVFKHAZIJPY-SFHVURJKSA-N 1 1 330.334 2.766 20 10 EFCDMO O=C1Nc2ccccc2[C@@]12CC[N@H+](Cc1c(O)ccc(F)c1F)C2 ZINC001233334158 1312906791 /nfs/dbraw/zinc/90/67/91/1312906791.db2.gz WDKQVFKHAZIJPY-SFHVURJKSA-N 1 1 330.334 2.766 20 10 EFCDMO CC(C)C(=O)N1CC[C@@H]2C[N@H+](Cc3c(O)ccc(F)c3F)CC[C@H]21 ZINC001233334133 1312906850 /nfs/dbraw/zinc/90/68/50/1312906850.db2.gz VQWRCTWSNKBALU-IUODEOHRSA-N 1 1 338.398 2.749 20 10 EFCDMO CC(C)C(=O)N1CC[C@@H]2C[N@@H+](Cc3c(O)ccc(F)c3F)CC[C@H]21 ZINC001233334133 1312906853 /nfs/dbraw/zinc/90/68/53/1312906853.db2.gz VQWRCTWSNKBALU-IUODEOHRSA-N 1 1 338.398 2.749 20 10 EFCDMO O=C1CC2(CN1)CC[NH+](Cc1cccc(C(F)(F)F)c1O)CC2 ZINC001233415595 1312927735 /nfs/dbraw/zinc/92/77/35/1312927735.db2.gz BSYUDABPXAKZBE-UHFFFAOYSA-N 1 1 328.334 2.513 20 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COC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[N@H+]1Cc1ccc(C(F)(F)F)cc1O ZINC001233455909 1312935658 /nfs/dbraw/zinc/93/56/58/1312935658.db2.gz DIJUJGSHBDLACB-LQJRIPTKSA-N 1 1 329.318 2.937 20 10 EFCDMO CC(C)(O)CCN1CC[NH+](Cc2ccc(C(F)(F)F)cc2O)CC1 ZINC001233455458 1312935948 /nfs/dbraw/zinc/93/59/48/1312935948.db2.gz LUNDNHYPRSUKFA-UHFFFAOYSA-N 1 1 346.393 2.690 20 10 EFCDMO CC1(C)CN(C2C[NH+](Cc3ccc(C(F)(F)F)cc3O)C2)CCO1 ZINC001233455151 1312936330 /nfs/dbraw/zinc/93/63/30/1312936330.db2.gz YKKJDWNUHUXMGH-UHFFFAOYSA-N 1 1 344.377 2.706 20 10 EFCDMO CCCCCNC(=O)[C@H](C)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000128556048 1292586444 /nfs/dbraw/zinc/58/64/44/1292586444.db2.gz ACHGKAMROZWQNY-KRWDZBQOSA-N 1 1 347.503 2.650 20 10 EFCDMO COc1cccc(O[C@@H]2CCC[N@@H+](Cc3cc(O)c(O)cc3O)C2)c1 ZINC001233484916 1312939576 /nfs/dbraw/zinc/93/95/76/1312939576.db2.gz CFDBJAILHAKTHI-MRXNPFEDSA-N 1 1 345.395 2.855 20 10 EFCDMO COc1ccccc1O[C@@H]1CCC[N@@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001233485143 1312939689 /nfs/dbraw/zinc/93/96/89/1312939689.db2.gz KMMKUGFDZCLTSR-CQSZACIVSA-N 1 1 345.395 2.855 20 10 EFCDMO Oc1cc(O)c(C[N@@H+]2C[C@H]3[C@@H](C2)CCC[C@@H]3OCC2CC2)cc1O ZINC001233484628 1312939697 /nfs/dbraw/zinc/93/96/97/1312939697.db2.gz RIXTVIUGACUQGH-WTANOLMUSA-N 1 1 333.428 2.831 20 10 EFCDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1cc(O)c(O)cc1O ZINC001233485446 1312939703 /nfs/dbraw/zinc/93/97/03/1312939703.db2.gz WHHRHOKFVJNBBG-AWEZNQCLSA-N 1 1 328.412 2.510 20 10 EFCDMO Oc1cc(O)c(C[NH+]2CCN(Cc3cccc(Cl)c3)CC2)cc1O ZINC001233485401 1312939804 /nfs/dbraw/zinc/93/98/04/1312939804.db2.gz UNQIOLHLZUYIMS-UHFFFAOYSA-N 1 1 348.830 2.775 20 10 EFCDMO Oc1cc(O)c(CN2CCC3(CCC[N@H+]3CC3CC3)CC2)cc1O ZINC001233483561 1312939990 /nfs/dbraw/zinc/93/99/90/1312939990.db2.gz DPNMAMFPRFJPBK-UHFFFAOYSA-N 1 1 332.444 2.644 20 10 EFCDMO C[C@H]1CN(Cc2cc(O)c(O)cc2O)CC[N@H+]1Cc1ccccc1 ZINC001233486323 1312940630 /nfs/dbraw/zinc/94/06/30/1312940630.db2.gz IRXNCUHVULKVSZ-AWEZNQCLSA-N 1 1 328.412 2.510 20 10 EFCDMO C[C@H]1C[N@H+](Cc2cc(O)c(O)cc2O)CCN1Cc1ccccc1 ZINC001233486323 1312940632 /nfs/dbraw/zinc/94/06/32/1312940632.db2.gz IRXNCUHVULKVSZ-AWEZNQCLSA-N 1 1 328.412 2.510 20 10 EFCDMO C[C@H]1C[N@@H+](Cc2cc(O)c(O)cc2O)CCN1Cc1ccccc1 ZINC001233486323 1312940636 /nfs/dbraw/zinc/94/06/36/1312940636.db2.gz IRXNCUHVULKVSZ-AWEZNQCLSA-N 1 1 328.412 2.510 20 10 EFCDMO CN(Cc1cc(O)c(O)cc1O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001233487691 1312941083 /nfs/dbraw/zinc/94/10/83/1312941083.db2.gz OOEQRTGVZUDONS-QGZVFWFLSA-N 1 1 342.439 2.900 20 10 EFCDMO C[N@H+](Cc1cc(O)c(O)cc1O)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001233487691 1312941087 /nfs/dbraw/zinc/94/10/87/1312941087.db2.gz OOEQRTGVZUDONS-QGZVFWFLSA-N 1 1 342.439 2.900 20 10 EFCDMO C[N@@H+](Cc1cc(O)c(O)cc1O)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001233487691 1312941090 /nfs/dbraw/zinc/94/10/90/1312941090.db2.gz OOEQRTGVZUDONS-QGZVFWFLSA-N 1 1 342.439 2.900 20 10 EFCDMO COC(=O)c1cccc([C@@H]2CCC[N@H+]2Cc2cc(O)c(O)cc2O)c1 ZINC001233487496 1312941457 /nfs/dbraw/zinc/94/14/57/1312941457.db2.gz GBZAMAHJISOERA-HNNXBMFYSA-N 1 1 343.379 2.927 20 10 EFCDMO Oc1ccccc1C[N@H+]1CCO[C@H]2[C@H](Oc3ccccn3)CC[C@@H]21 ZINC001203551516 1312953979 /nfs/dbraw/zinc/95/39/79/1312953979.db2.gz GNVZJUVCMWJLCR-KVSKMBFKSA-N 1 1 326.396 2.598 20 10 EFCDMO Cc1cccc(CN2C[C@@H]3C[N@@H+](Cc4ccccc4O)C[C@@H]3C2=O)c1 ZINC001203552105 1312954098 /nfs/dbraw/zinc/95/40/98/1312954098.db2.gz APUKRGGIWMSUSW-OALUTQOASA-N 1 1 336.435 2.791 20 10 EFCDMO C[C@@H]1C[N@@H+](Cc2ccccc2O)C[C@]12CCN(c1cccnc1)C2=O ZINC001203551935 1312954253 /nfs/dbraw/zinc/95/42/53/1312954253.db2.gz UDXAJCBCAZORMY-FOIQADDNSA-N 1 1 337.423 2.662 20 10 EFCDMO Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)c3c(F)ccc(O)c3O)C2)cc1 ZINC000881414862 1292882165 /nfs/dbraw/zinc/88/21/65/1292882165.db2.gz PFPIDDVUGUTMAO-CQSZACIVSA-N 1 1 344.386 2.550 20 10 EFCDMO CC[C@@H]1[N@@H+](Cc2cccc(OC)c2O)CCC[C@]12CCC(=O)N2C ZINC001203591539 1312964854 /nfs/dbraw/zinc/96/48/54/1312964854.db2.gz IIAOOPPTJJWJFU-LPHOPBHVSA-N 1 1 332.444 2.766 20 10 EFCDMO COCC[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1cccc(OC)c1O)C2 ZINC001203591296 1312965212 /nfs/dbraw/zinc/96/52/12/1312965212.db2.gz GMCURBGPHQOYCH-DNVCBOLYSA-N 1 1 335.444 2.808 20 10 EFCDMO COc1cccc(C[N@H+]2C[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]32)c1O ZINC001203590346 1312965463 /nfs/dbraw/zinc/96/54/63/1312965463.db2.gz XNEUFXIVBHTBPJ-UKRRQHHQSA-N 1 1 348.443 2.842 20 10 EFCDMO COc1cccc(C[N@H+]2CCC[C@H](Oc3cc(C)ncn3)C2)c1O ZINC001203601708 1312967366 /nfs/dbraw/zinc/96/73/66/1312967366.db2.gz HRGKDLBLYNSOIX-HNNXBMFYSA-N 1 1 329.400 2.543 20 10 EFCDMO COC(=O)[C@H]1C[N@@H+](Cc2cccc(OC)c2O)C[C@H]1c1ccccc1 ZINC001203601807 1312967386 /nfs/dbraw/zinc/96/73/86/1312967386.db2.gz LRXNGNVSKFWIKS-IRXDYDNUSA-N 1 1 341.407 2.789 20 10 EFCDMO COc1cccc(C[N@@H+]2CCC[C@H](Oc3ncccc3OC)C2)c1O ZINC001203601880 1312967825 /nfs/dbraw/zinc/96/78/25/1312967825.db2.gz PKWKCPLZBAYMHQ-HNNXBMFYSA-N 1 1 344.411 2.848 20 10 EFCDMO CCOc1cccc(C[N@H+]2CC[C@@](O)(C(F)(F)F)[C@@H](C)C2)c1O ZINC001203602394 1312967857 /nfs/dbraw/zinc/96/78/57/1312967857.db2.gz UEBWOMMTQFKABY-NHYWBVRUSA-N 1 1 333.350 2.926 20 10 EFCDMO CCOc1cccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)OC(C)(C)C)c1O ZINC001203603270 1312968279 /nfs/dbraw/zinc/96/82/79/1312968279.db2.gz MGTJXUZLJHAAOZ-FOLVSLTJSA-N 1 1 348.443 2.746 20 10 EFCDMO COc1cccc(C[N@H+]2CCC[C@H](Oc3ncc(C)cn3)C2)c1O ZINC001203601903 1312968403 /nfs/dbraw/zinc/96/84/03/1312968403.db2.gz QECMZBUHJSYRHE-HNNXBMFYSA-N 1 1 329.400 2.543 20 10 EFCDMO CCOc1cccc(C[N@@H+]2Cc3cnn(CC)c3[C@@H](COC)C2)c1O ZINC001203608134 1312969828 /nfs/dbraw/zinc/96/98/28/1312969828.db2.gz IYNXBYORNSKKSS-MRXNPFEDSA-N 1 1 345.443 2.753 20 10 EFCDMO CCOc1cccc(C[N@@H+]2CCC[C@@]3(C[C@H](OCC)CO3)C2)c1O ZINC001203608684 1312969995 /nfs/dbraw/zinc/96/99/95/1312969995.db2.gz ZHOUAWKAOUMZMZ-QFBILLFUSA-N 1 1 335.444 2.951 20 10 EFCDMO CCOc1cccc(C[N@H+]2CCC[C@@]3(CCN(CC)C3=O)C2)c1O ZINC001203610187 1312970295 /nfs/dbraw/zinc/97/02/95/1312970295.db2.gz YKQXTNFRSUCXRT-LJQANCHMSA-N 1 1 332.444 2.625 20 10 EFCDMO CCOc1cccc(C[N@H+]2CCC[C@@H](Oc3nccc(C)n3)C2)c1O ZINC001203617872 1312972624 /nfs/dbraw/zinc/97/26/24/1312972624.db2.gz WKCBXHSLEMLEHE-MRXNPFEDSA-N 1 1 343.427 2.933 20 10 EFCDMO COc1ccc(C[N@H+]2CCC[C@]3(C2)COCCN(C(C)C)C3)c(O)c1 ZINC001203622200 1312973108 /nfs/dbraw/zinc/97/31/08/1312973108.db2.gz TXTATPOMGYEJHY-HXUWFJFHSA-N 1 1 348.487 2.724 20 10 EFCDMO COc1ccc(CN2CCC[C@]3(C2)COCC[N@@H+](C(C)C)C3)c(O)c1 ZINC001203622200 1312973113 /nfs/dbraw/zinc/97/31/13/1312973113.db2.gz TXTATPOMGYEJHY-HXUWFJFHSA-N 1 1 348.487 2.724 20 10 EFCDMO COc1ccc(CN2CCC[C@]3(C2)COCC[N@H+](C(C)C)C3)c(O)c1 ZINC001203622200 1312973115 /nfs/dbraw/zinc/97/31/15/1312973115.db2.gz TXTATPOMGYEJHY-HXUWFJFHSA-N 1 1 348.487 2.724 20 10 EFCDMO COc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CN3C(=O)OC(C)(C)C)C2)c(O)c1 ZINC001203622174 1312973194 /nfs/dbraw/zinc/97/31/94/1312973194.db2.gz RSNMFTQSLZBFCO-GDBMZVCRSA-N 1 1 348.443 2.842 20 10 EFCDMO COc1ccc(C[N@H+]2CC[C@H]3O[C@@H](c4nc(C)no4)CC[C@H]32)c(O)c1 ZINC001203621371 1312973214 /nfs/dbraw/zinc/97/32/14/1312973214.db2.gz BXKSUFJWUOWMOY-DJIMGWMZSA-N 1 1 345.399 2.587 20 10 EFCDMO COc1ccc(C[N@@H+]2CCC[C@H]3[C@@H]2CN3C(=O)OC(C)(C)C)c(O)c1 ZINC001203622053 1312973303 /nfs/dbraw/zinc/97/33/03/1312973303.db2.gz MWIJRKMQMFRVDQ-HOTGVXAUSA-N 1 1 348.443 2.985 20 10 EFCDMO COc1ccc(C[N@H+]2CCC[C@H]3[C@@H]2CN3C(=O)OC(C)(C)C)c(O)c1 ZINC001203622053 1312973307 /nfs/dbraw/zinc/97/33/07/1312973307.db2.gz MWIJRKMQMFRVDQ-HOTGVXAUSA-N 1 1 348.443 2.985 20 10 EFCDMO COc1ccc(CC[N@H+](Cc2ccc(OC)cc2O)C[C@H](C)O)cc1 ZINC001203621284 1312973359 /nfs/dbraw/zinc/97/33/59/1312973359.db2.gz RHENOMAHDKJYOZ-HNNXBMFYSA-N 1 1 345.439 2.835 20 10 EFCDMO COc1ccc(C[N@H+]2CC[C@H]3CN(C(=O)OC(C)(C)C)[C@H]3C2)c(O)c1 ZINC001203621625 1312973528 /nfs/dbraw/zinc/97/35/28/1312973528.db2.gz FFZYRVIBZPIVPI-BBRMVZONSA-N 1 1 348.443 2.842 20 10 EFCDMO COc1ccc(C[N@H+]2CC[C@H]3[C@H]2CCN3Cc2cccnc2)c(O)c1 ZINC001203623191 1312973760 /nfs/dbraw/zinc/97/37/60/1312973760.db2.gz LYULOWJIRRUJLC-RBUKOAKNSA-N 1 1 339.439 2.645 20 10 EFCDMO CCOC[C@@H]1C[N@@H+](Cc2ccc(OC)cc2O)Cc2cn(CC)nc21 ZINC001203623379 1312974118 /nfs/dbraw/zinc/97/41/18/1312974118.db2.gz OSUUAQPWDVAINY-INIZCTEOSA-N 1 1 345.443 2.753 20 10 EFCDMO Oc1ccc(Br)cc1C[N@@H+]1C[C@@H]2OCC(F)(F)[C@@H]2C1 ZINC001203635859 1312977441 /nfs/dbraw/zinc/97/74/41/1312977441.db2.gz JGWGXNGYODIRHQ-PWSUYJOCSA-N 1 1 334.160 2.621 20 10 EFCDMO Oc1ccc(Br)cc1C[N@H+]1C[C@@H]2OCC(F)(F)[C@@H]2C1 ZINC001203635859 1312977442 /nfs/dbraw/zinc/97/74/42/1312977442.db2.gz JGWGXNGYODIRHQ-PWSUYJOCSA-N 1 1 334.160 2.621 20 10 EFCDMO COC(=O)[C@@H]1C[N@@H+](Cc2ccc(OC)cc2O)Cc2ccccc21 ZINC001203634814 1312977604 /nfs/dbraw/zinc/97/76/04/1312977604.db2.gz WSPOUUCVXYYTRR-QGZVFWFLSA-N 1 1 327.380 2.673 20 10 EFCDMO COc1ccc(C[N@H+]2CCC[C@@H](Oc3ncccc3OC)C2)c(O)c1 ZINC001203634962 1312977745 /nfs/dbraw/zinc/97/77/45/1312977745.db2.gz CTEWMEMOIDVJPM-MRXNPFEDSA-N 1 1 344.411 2.848 20 10 EFCDMO OC[C@]1(F)CCC[N@@H+](Cc2cc(Br)ccc2O)CC1 ZINC001203636529 1312977763 /nfs/dbraw/zinc/97/77/63/1312977763.db2.gz WHQJKVJUCBTSNB-AWEZNQCLSA-N 1 1 332.213 2.841 20 10 EFCDMO COc1ccc(C[NH+]2CCN(C(=O)c3ccccc3C)CC2)c(O)c1 ZINC001203634351 1312977845 /nfs/dbraw/zinc/97/78/45/1312977845.db2.gz APXMXGAXHWHVLI-UHFFFAOYSA-N 1 1 340.423 2.667 20 10 EFCDMO COC(=O)[C@@H]1CCC[N@@H+](Cc2cc(Br)ccc2O)[C@H]1C ZINC001203645950 1312979549 /nfs/dbraw/zinc/97/95/49/1312979549.db2.gz WXVSCUGAEXUMRW-GXFFZTMASA-N 1 1 342.233 2.928 20 10 EFCDMO OC[C@@H]1CN(Cc2cc(Cl)ccc2O)CC[N@@H+]1Cc1ccccc1 ZINC001203648090 1312979571 /nfs/dbraw/zinc/97/95/71/1312979571.db2.gz CVIMVVONCAQHQG-SFHVURJKSA-N 1 1 346.858 2.724 20 10 EFCDMO OC[C@@H]1CN(Cc2cc(Cl)ccc2O)CC[N@H+]1Cc1ccccc1 ZINC001203648090 1312979572 /nfs/dbraw/zinc/97/95/72/1312979572.db2.gz CVIMVVONCAQHQG-SFHVURJKSA-N 1 1 346.858 2.724 20 10 EFCDMO COC(=O)[C@@H]1C[C@@H](C)C[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC001203645403 1312979611 /nfs/dbraw/zinc/97/96/11/1312979611.db2.gz GUBAAXGKAPUVIZ-ZYHUDNBSSA-N 1 1 342.233 2.786 20 10 EFCDMO COC(=O)[C@H]1CCC[N@@H+](Cc2cc(Br)ccc2O)[C@@H]1C ZINC001203645952 1312979724 /nfs/dbraw/zinc/97/97/24/1312979724.db2.gz WXVSCUGAEXUMRW-MFKMUULPSA-N 1 1 342.233 2.928 20 10 EFCDMO C[N@@H+](C1CC1)[C@@H]1CCN(Cc2cc(Br)ccc2O)C1 ZINC001203650376 1312980223 /nfs/dbraw/zinc/98/02/23/1312980223.db2.gz QLFAQUSLKTZVKT-CQSZACIVSA-N 1 1 325.250 2.823 20 10 EFCDMO CC(C)NC(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC001203665645 1312984221 /nfs/dbraw/zinc/98/42/21/1312984221.db2.gz REOIKMHDYXKDAQ-AWEZNQCLSA-N 1 1 325.840 2.718 20 10 EFCDMO COc1ccc(O)c(C[N@H+]2CC[C@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)c1 ZINC001203670034 1312985376 /nfs/dbraw/zinc/98/53/76/1312985376.db2.gz KPNLFDXOTILVGZ-HOTGVXAUSA-N 1 1 348.443 2.985 20 10 EFCDMO COc1ccc(O)c(C[N@H+]2C[C@@H]3C[C@H]2C[C@@H]3NC(=O)OC(C)(C)C)c1 ZINC001203670855 1312985612 /nfs/dbraw/zinc/98/56/12/1312985612.db2.gz GFAKJFXOHXPOMA-NOLJZWGESA-N 1 1 348.443 2.888 20 10 EFCDMO CCOC[C@@H]1C[N@@H+](Cc2cc(OC)ccc2O)Cc2cn(CC)nc21 ZINC001203673282 1312986458 /nfs/dbraw/zinc/98/64/58/1312986458.db2.gz UDTQPTYUZGOHOS-INIZCTEOSA-N 1 1 345.443 2.753 20 10 EFCDMO COc1ccc(O)c(C[N@H+]2CCC[C@@]3(CCN(CC4CC4)C3=O)C2)c1 ZINC001203673086 1312986561 /nfs/dbraw/zinc/98/65/61/1312986561.db2.gz MFYWSKDQSXQLHE-HXUWFJFHSA-N 1 1 344.455 2.625 20 10 EFCDMO COc1ccc(O)c(C[N@H+]2C[C@H]3CN(c4ccsc4)C(=O)[C@H]3C2)c1 ZINC001203675500 1312986884 /nfs/dbraw/zinc/98/68/84/1312986884.db2.gz YZUBNNMQIZPGSS-BBRMVZONSA-N 1 1 344.436 2.557 20 10 EFCDMO CCC[NH+](CCC)CCN1CCN(Cc2cc(OC)ccc2O)CC1 ZINC001203680220 1312989000 /nfs/dbraw/zinc/98/90/00/1312989000.db2.gz MAVKGUXSNVOKTL-UHFFFAOYSA-N 1 1 349.519 2.640 20 10 EFCDMO COc1ccc(O)c(C[N@H+]2CCC[C@@H](Oc3ncccc3OC)C2)c1 ZINC001203681468 1312989034 /nfs/dbraw/zinc/98/90/34/1312989034.db2.gz YNCKAGBHTBWDBI-MRXNPFEDSA-N 1 1 344.411 2.848 20 10 EFCDMO COc1ccc(O)c(C[N@H+]2CC[C@H](N3Cc4ccccc4C3=O)C2)c1 ZINC001203680807 1312989286 /nfs/dbraw/zinc/98/92/86/1312989286.db2.gz FDTLYNPJWLEEDE-INIZCTEOSA-N 1 1 338.407 2.631 20 10 EFCDMO CC(C)C(=O)N1CC[NH+](Cc2cccc(OC(F)(F)F)c2O)CC1 ZINC001233775817 1312989564 /nfs/dbraw/zinc/98/95/64/1312989564.db2.gz DANWSLGGPPFTOE-UHFFFAOYSA-N 1 1 346.349 2.591 20 10 EFCDMO COc1ccc(O)c(C[N@H+]2CCC[C@H](Oc3ncncc3C)C2)c1 ZINC001203684018 1312989670 /nfs/dbraw/zinc/98/96/70/1312989670.db2.gz JRYAUEHCHSHNRS-INIZCTEOSA-N 1 1 329.400 2.543 20 10 EFCDMO C[C@@H]1CN(C(C)(C)C[NH2+]Cc2cc(F)cc(F)c2O)C[C@H](C)O1 ZINC000882881293 1293368319 /nfs/dbraw/zinc/36/83/19/1293368319.db2.gz GXGWIQBWUQMVLM-TXEJJXNPSA-N 1 1 328.403 2.648 20 10 EFCDMO O=C(NCCC[NH2+]C1CCCCC1)c1cc(O)c(O)c(Cl)c1 ZINC001193625654 1293373215 /nfs/dbraw/zinc/37/32/15/1293373215.db2.gz LNMOLBMCECQSKL-UHFFFAOYSA-N 1 1 326.824 2.793 20 10 EFCDMO O=S(=O)(CCC[NH2+]Cc1cc(F)cc(F)c1O)c1ccccc1 ZINC000882927993 1293388351 /nfs/dbraw/zinc/38/83/51/1293388351.db2.gz YXYNPJPQFRYBMI-UHFFFAOYSA-N 1 1 341.379 2.624 20 10 EFCDMO O=C1C[C@H](C[NH2+]Cc2cc(F)cc(F)c2O)CN1Cc1ccccc1 ZINC000883077370 1293451984 /nfs/dbraw/zinc/45/19/84/1293451984.db2.gz HOSGIOHROUWCPE-CQSZACIVSA-N 1 1 346.377 2.809 20 10 EFCDMO CC1(C)OCC([NH2+]Cc2cc(Br)cc(F)c2O)CO1 ZINC000883087834 1293457882 /nfs/dbraw/zinc/45/78/82/1293457882.db2.gz KGXHFMXWRKKDHP-UHFFFAOYSA-N 1 1 334.185 2.535 20 10 EFCDMO C[C@H]([NH2+]Cc1cc(F)cc(F)c1O)C(=O)NCCc1ccccc1 ZINC000883136302 1293476486 /nfs/dbraw/zinc/47/64/86/1293476486.db2.gz YXMXDUNZFVPVKM-LBPRGKRZSA-N 1 1 334.366 2.507 20 10 EFCDMO Cc1noc(C)c1[C@H](C)[NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000775618248 1293734709 /nfs/dbraw/zinc/73/47/09/1293734709.db2.gz WUKACQCTXRXZHQ-ZDUSSCGKSA-N 1 1 344.459 2.667 20 10 EFCDMO Cc1cccc(C[N@H+](C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)c1O ZINC000775644648 1293852007 /nfs/dbraw/zinc/85/20/07/1293852007.db2.gz QFTWHQOYMCUMCI-CYBMUJFWSA-N 1 1 334.441 2.541 20 10 EFCDMO CC[N@@H+](Cc1ccc(O)c(O)c1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001203880467 1313040046 /nfs/dbraw/zinc/04/00/46/1313040046.db2.gz SRZCFHGQVOFASS-CQSZACIVSA-N 1 1 336.432 2.929 20 10 EFCDMO CC(C)(C)OC(=O)N[C@]1(C)CCC[N@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203874839 1313037888 /nfs/dbraw/zinc/03/78/88/1313037888.db2.gz DFJSDUDPQPBORT-GOSISDBHSA-N 1 1 336.432 2.977 20 10 EFCDMO CC(C)(C)OC(=O)N[C@]1(C)CCC[N@@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203874839 1313037892 /nfs/dbraw/zinc/03/78/92/1313037892.db2.gz DFJSDUDPQPBORT-GOSISDBHSA-N 1 1 336.432 2.977 20 10 EFCDMO CC(C)(C)OC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(O)c(O)c3)C[C@H]21 ZINC001203874534 1313037998 /nfs/dbraw/zinc/03/79/98/1313037998.db2.gz AHOGMFUAJXWCDL-UONOGXRCSA-N 1 1 334.416 2.539 20 10 EFCDMO C[C@H]1CN(C(=O)OC(C)(C)C)CCC[N@@H+]1Cc1ccc(O)c(O)c1 ZINC001203874985 1313038406 /nfs/dbraw/zinc/03/84/06/1313038406.db2.gz GSMWFPYHDZXGKD-ZDUSSCGKSA-N 1 1 336.432 2.929 20 10 EFCDMO C[C@H]1CN(C(=O)OC(C)(C)C)CCC[N@H+]1Cc1ccc(O)c(O)c1 ZINC001203874985 1313038411 /nfs/dbraw/zinc/03/84/11/1313038411.db2.gz GSMWFPYHDZXGKD-ZDUSSCGKSA-N 1 1 336.432 2.929 20 10 EFCDMO CC(C)(C)OC(=O)N1CC[C@H]2CC[N@H+](Cc3ccc(O)c(O)c3)C[C@H]21 ZINC001203875512 1313038530 /nfs/dbraw/zinc/03/85/30/1313038530.db2.gz OGUKGPYVGPIHAN-HUUCEWRRSA-N 1 1 348.443 2.929 20 10 EFCDMO CC(C)(C)OC(=O)N1CC[C@H]2CC[N@@H+](Cc3ccc(O)c(O)c3)C[C@H]21 ZINC001203875512 1313038532 /nfs/dbraw/zinc/03/85/32/1313038532.db2.gz OGUKGPYVGPIHAN-HUUCEWRRSA-N 1 1 348.443 2.929 20 10 EFCDMO Oc1ccc(C[N@H+]2CCc3ncnc(-c4ccoc4)c3CC2)cc1O ZINC001203876371 1313039037 /nfs/dbraw/zinc/03/90/37/1313039037.db2.gz BZCISTKIXDWVMJ-UHFFFAOYSA-N 1 1 337.379 2.749 20 10 EFCDMO NC(=O)[C@@H](c1ccccc1)[C@@H]1CCCC[N@H+]1Cc1ccc(O)c(O)c1 ZINC001203879284 1313039888 /nfs/dbraw/zinc/03/98/88/1313039888.db2.gz HUJWBDFGMUMDQA-LPHOPBHVSA-N 1 1 340.423 2.721 20 10 EFCDMO Oc1ccc(CN2C[C@H]3C[C@@H](C2)C[N@H+](Cc2ccco2)C3)cc1O ZINC001203878400 1313039940 /nfs/dbraw/zinc/03/99/40/1313039940.db2.gz GFULBVRMAIVXJA-IYBDPMFKSA-N 1 1 328.412 2.645 20 10 EFCDMO Oc1ccc(C[N@H+]2C[C@@H]3C[C@@H](CN(Cc4ccco4)C3)C2)cc1O ZINC001203878400 1313039942 /nfs/dbraw/zinc/03/99/42/1313039942.db2.gz GFULBVRMAIVXJA-IYBDPMFKSA-N 1 1 328.412 2.645 20 10 EFCDMO Oc1ccc(C[N@@H+]2C[C@@H]3C[C@@H](CN(Cc4ccco4)C3)C2)cc1O ZINC001203878400 1313039945 /nfs/dbraw/zinc/03/99/45/1313039945.db2.gz GFULBVRMAIVXJA-IYBDPMFKSA-N 1 1 328.412 2.645 20 10 EFCDMO CC(C)(C)OC(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203878081 1313040304 /nfs/dbraw/zinc/04/03/04/1313040304.db2.gz ATKGLRIWTJYXIW-CQSZACIVSA-N 1 1 336.432 2.835 20 10 EFCDMO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(O)c(O)c3)C[C@H]12 ZINC001203883641 1313040770 /nfs/dbraw/zinc/04/07/70/1313040770.db2.gz LDXROIWQYJCUAU-QLFBSQMISA-N 1 1 348.443 2.833 20 10 EFCDMO COc1cccc(O[C@@H]2CCC[N@@H+](Cc3ccc(O)c(O)c3)C2)n1 ZINC001203883376 1313040865 /nfs/dbraw/zinc/04/08/65/1313040865.db2.gz JHODOONTEJBLRS-CQSZACIVSA-N 1 1 330.384 2.545 20 10 EFCDMO Oc1c(Br)cccc1CN1CC[C@H]([NH+]2CCCC2)C1 ZINC000133948682 1294038797 /nfs/dbraw/zinc/03/87/97/1294038797.db2.gz RCQKGCGNBWJOIG-ZDUSSCGKSA-N 1 1 325.250 2.825 20 10 EFCDMO CN(C)c1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)cc1 ZINC001203931135 1313049437 /nfs/dbraw/zinc/04/94/37/1313049437.db2.gz NNSJALMZKNHEEG-IRXDYDNUSA-N 1 1 331.460 2.946 20 10 EFCDMO CN(C)c1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)cc1 ZINC001203931135 1313049441 /nfs/dbraw/zinc/04/94/41/1313049441.db2.gz NNSJALMZKNHEEG-IRXDYDNUSA-N 1 1 331.460 2.946 20 10 EFCDMO CN(C)c1ccc(C[N@H+]2CCC[C@@]3(CCN(CC4CC4)C3=O)C2)cc1 ZINC001203932129 1313049568 /nfs/dbraw/zinc/04/95/68/1313049568.db2.gz SQVGMSCOIYKYDX-OAQYLSRUSA-N 1 1 341.499 2.977 20 10 EFCDMO CN(C)c1ccc(C[N@H+]2CC[C@@]3(C2)C(=O)NC[C@@H]3c2ccccc2)cc1 ZINC001203932031 1313050057 /nfs/dbraw/zinc/05/00/57/1313050057.db2.gz OVELEOHGDSBTGG-IRLDBZIGSA-N 1 1 349.478 2.858 20 10 EFCDMO CN(C)c1ccc(C[N@@H+]2CCc3onc(Cn4ccnc4)c3C2)cc1 ZINC001203930615 1313050232 /nfs/dbraw/zinc/05/02/32/1313050232.db2.gz AWLDREABRIGULR-UHFFFAOYSA-N 1 1 337.427 2.544 20 10 EFCDMO CN(C)c1ccc(C[N@H+]2CCc3onc(Cn4ccnc4)c3C2)cc1 ZINC001203930615 1313050235 /nfs/dbraw/zinc/05/02/35/1313050235.db2.gz AWLDREABRIGULR-UHFFFAOYSA-N 1 1 337.427 2.544 20 10 EFCDMO CC[NH+](CC)CCCN1CCN(Cc2ccc(N(C)C)cc2)CC1 ZINC001203934352 1313051110 /nfs/dbraw/zinc/05/11/10/1313051110.db2.gz RRMPPLXPFBOZNP-UHFFFAOYSA-N 1 1 332.536 2.602 20 10 EFCDMO CCN(CC)c1ccc(C[N@H+](CCCN(C)C)CCC(=O)OC)cc1 ZINC001203939971 1313051794 /nfs/dbraw/zinc/05/17/94/1313051794.db2.gz YWAFEEQMGCBWOD-UHFFFAOYSA-N 1 1 349.519 2.850 20 10 EFCDMO CCN(CC)c1ccc(C[N@@H+](CCCN(C)C)CCC(=O)OC)cc1 ZINC001203939971 1313051798 /nfs/dbraw/zinc/05/17/98/1313051798.db2.gz YWAFEEQMGCBWOD-UHFFFAOYSA-N 1 1 349.519 2.850 20 10 EFCDMO COc1cc(C)nc(O[C@@H]2CC[N@@H+](Cc3ccc(N(C)C)cc3)C2)n1 ZINC001203936832 1313051864 /nfs/dbraw/zinc/05/18/64/1313051864.db2.gz OXIHDSUMJNUFJL-QGZVFWFLSA-N 1 1 342.443 2.513 20 10 EFCDMO CN(C)c1ccc(C[N@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)[C@@H]3C2)cc1 ZINC001203936653 1313052001 /nfs/dbraw/zinc/05/20/01/1313052001.db2.gz IYSWFAPKULONLT-DOTOQJQBSA-N 1 1 331.460 2.804 20 10 EFCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC(=O)N3C)C2)cc1 ZINC001203945832 1313052861 /nfs/dbraw/zinc/05/28/61/1313052861.db2.gz OKDKYHCBEDHSHW-PKOBYXMFSA-N 1 1 329.488 2.976 20 10 EFCDMO C[C@H]([NH2+]Cc1cccc(Br)c1O)C(=O)NC(C)(C)C ZINC000134493341 1294138415 /nfs/dbraw/zinc/13/84/15/1294138415.db2.gz DGCKANNFUUZPPW-VIFPVBQESA-N 1 1 329.238 2.548 20 10 EFCDMO CCOC[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2)Cc2ncn(C)c21 ZINC001203932383 1313050855 /nfs/dbraw/zinc/05/08/55/1313050855.db2.gz ZRCBLEIKGUWQHM-MRXNPFEDSA-N 1 1 328.460 2.622 20 10 EFCDMO CCOC[C@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)Cc2ncn(C)c21 ZINC001203932383 1313050858 /nfs/dbraw/zinc/05/08/58/1313050858.db2.gz ZRCBLEIKGUWQHM-MRXNPFEDSA-N 1 1 328.460 2.622 20 10 EFCDMO COc1cc(O)c(C[N@@H+](C)CCC(=O)OC(C)(C)C)cc1OC ZINC000775725912 1294280353 /nfs/dbraw/zinc/28/03/53/1294280353.db2.gz UWUFFMSGWMIVAW-UHFFFAOYSA-N 1 1 325.405 2.573 20 10 EFCDMO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2Cc1cc(Cl)cc(F)c1O ZINC000775738971 1294335127 /nfs/dbraw/zinc/33/51/27/1294335127.db2.gz ATZORVXACSFIFE-BMFZPTHFSA-N 1 1 342.842 2.868 20 10 EFCDMO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1cc(Cl)cc(F)c1[O-] ZINC000775738971 1294335134 /nfs/dbraw/zinc/33/51/34/1294335134.db2.gz ATZORVXACSFIFE-BMFZPTHFSA-N 1 1 342.842 2.868 20 10 EFCDMO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1cc(Cl)cc(F)c1[O-] ZINC000775738971 1294335142 /nfs/dbraw/zinc/33/51/42/1294335142.db2.gz ATZORVXACSFIFE-BMFZPTHFSA-N 1 1 342.842 2.868 20 10 EFCDMO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2Cc1cc(Cl)cc(F)c1O ZINC000775738975 1294335913 /nfs/dbraw/zinc/33/59/13/1294335913.db2.gz ATZORVXACSFIFE-FVQBIDKESA-N 1 1 342.842 2.868 20 10 EFCDMO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1cc(Cl)cc(F)c1[O-] ZINC000775738975 1294335916 /nfs/dbraw/zinc/33/59/16/1294335916.db2.gz ATZORVXACSFIFE-FVQBIDKESA-N 1 1 342.842 2.868 20 10 EFCDMO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1cc(Cl)cc(F)c1[O-] ZINC000775738975 1294335918 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C[NH+]1CCC(Oc2ccnc(NCc3ccc(O)c(O)c3)c2)CC1 ZINC001159004773 1311432141 /nfs/dbraw/zinc/43/21/41/1311432141.db2.gz JZBSBYFENPQKNZ-UHFFFAOYSA-N 1 1 329.400 2.578 20 10 EFCDMO CCN(CC)c1ccc(CN2CCC(F)(F)[C@H]([NH3+])C2)c(OC)c1 ZINC001206667752 1311436919 /nfs/dbraw/zinc/43/69/19/1311436919.db2.gz MSFVLZQMNYOULA-MRXNPFEDSA-N 1 1 327.419 2.710 20 10 EFCDMO COc1ccc(N2CC3(C2)C[NH+](Cc2scnc2C)C3)cc1F ZINC001277009873 1311456769 /nfs/dbraw/zinc/45/67/69/1311456769.db2.gz NTSQQHRMARPZFW-UHFFFAOYSA-N 1 1 333.432 2.921 20 10 EFCDMO COc1ccc(N2CC[C@H]3C[N@@H+](Cc4cccc(=O)[nH]4)C[C@H]32)cc1F ZINC001277010906 1311458092 /nfs/dbraw/zinc/45/80/92/1311458092.db2.gz YGIAQIOFXTUSTC-SUMWQHHRSA-N 1 1 343.402 2.646 20 10 EFCDMO CC(C)(C)NC(=O)c1cc2c([nH]1)C[N@H+](Cc1ccc(O)cc1O)CC2 ZINC001277193097 1311782773 /nfs/dbraw/zinc/78/27/73/1311782773.db2.gz YBUZNQRSPSVNII-UHFFFAOYSA-N 1 1 343.427 2.513 20 10 EFCDMO CC(C)(C)NC(=O)c1cc2c([nH]1)C[N@@H+](Cc1ccc(O)cc1O)CC2 ZINC001277193097 1311782776 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EFCDMO CC(C)CC(=O)N1CC[NH+](Cc2cc3c(cc2O)CCCC3)CC1 ZINC001319687575 1328950870 /nfs/dbraw/zinc/95/08/70/1328950870.db2.gz MVUOGLQRLFOEPK-UHFFFAOYSA-N 1 1 330.472 2.961 20 10 EFCDMO CC[C@@H]1CN(Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C[C@H](C)O1 ZINC001319704828 1328956349 /nfs/dbraw/zinc/95/63/49/1328956349.db2.gz DAGQERFHYUBJIM-DOTOQJQBSA-N 1 1 335.467 2.577 20 10 EFCDMO C[C@@H]1[C@H](C)SCC[N@H+]1Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001319712628 1328960087 /nfs/dbraw/zinc/96/00/87/1328960087.db2.gz PTRJIWAOMLUQKG-CABCVRRESA-N 1 1 337.508 2.903 20 10 EFCDMO CN1CCN(c2ccc(C[N@H+]3CCSC(C)(C)C3)cc2F)CC1 ZINC001319713224 1328961238 /nfs/dbraw/zinc/96/12/38/1328961238.db2.gz USKNXKMCZVPJOX-UHFFFAOYSA-N 1 1 337.508 2.905 20 10 EFCDMO NC(=O)[C@H]1c2ccccc2CC[N@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001319815587 1329000044 /nfs/dbraw/zinc/00/00/44/1329000044.db2.gz XOXCWCDYOJRLIT-HXUWFJFHSA-N 1 1 335.451 2.872 20 10 EFCDMO NC(=O)[C@H]1c2ccccc2CC[N@@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001319815587 1329000049 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CCO[C@@H]1CCC[N@@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001324166317 1329604793 /nfs/dbraw/zinc/60/47/93/1329604793.db2.gz CTKSCFKRPSRNSR-QGZVFWFLSA-N 1 1 335.467 2.578 20 10 EFCDMO CN1CCN(c2ccccc2C[NH2+][C@@H]2CCc3cccc(O)c32)CC1 ZINC001324543374 1329637826 /nfs/dbraw/zinc/63/78/26/1329637826.db2.gz SKMRANNBXYDJJW-GOSISDBHSA-N 1 1 337.467 2.921 20 10 EFCDMO CCOc1ccc(N2CC[NH+]([C@@H](C)C(=O)N3CCCCC3)CC2)cc1 ZINC001325182560 1329674478 /nfs/dbraw/zinc/67/44/78/1329674478.db2.gz WNOKJFHVKRBMSA-KRWDZBQOSA-N 1 1 345.487 2.608 20 10 EFCDMO CNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001325737943 1329709576 /nfs/dbraw/zinc/70/95/76/1329709576.db2.gz NLDVDLBRAINRCJ-SFHVURJKSA-N 1 1 331.460 2.997 20 10 EFCDMO CCOC1CC([N@@H+](C)Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001325754110 1329710946 /nfs/dbraw/zinc/71/09/46/1329710946.db2.gz WXODIADBWRKBEA-UHFFFAOYSA-N 1 1 335.467 2.577 20 10 EFCDMO C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2ccc(Br)cc2[O-])C1 ZINC001328759245 1330627423 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C[N@@H+](CCN1CCN(Cc2ccc(N)cc2)CC1)Cc1ccccc1 ZINC001336284898 1331455013 /nfs/dbraw/zinc/45/50/13/1331455013.db2.gz DNFZWYXYQPPTHO-UHFFFAOYSA-N 1 1 338.499 2.518 20 10 EFCDMO COC(=O)c1ccc(N2CC[N@@H+](Cc3ccc(N)cc3)[C@@H](C)C2)cc1 ZINC001336284914 1331455218 /nfs/dbraw/zinc/45/52/18/1331455218.db2.gz DSSBOVCVFWOJCB-HNNXBMFYSA-N 1 1 339.439 2.766 20 10 EFCDMO C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)NCc2ccc(N)cc2)CC1 ZINC001337019703 1331528359 /nfs/dbraw/zinc/52/83/59/1331528359.db2.gz UDSUAVRMEVXGRU-INIZCTEOSA-N 1 1 338.455 2.857 20 10 EFCDMO Cc1cc(CN2CCC[N@H+](Cc3ccc(N(C)C)cc3)CC2)no1 ZINC001337026165 1331528987 /nfs/dbraw/zinc/52/89/87/1331528987.db2.gz OHDKMYMZUFOICW-UHFFFAOYSA-N 1 1 328.460 2.757 20 10 EFCDMO COC(=O)[C@]12CCC[C@H]1C[N@@H+](Cc1c(O)ccc3ccncc31)C2 ZINC001337189951 1331547474 /nfs/dbraw/zinc/54/74/74/1331547474.db2.gz KWBNGNOSYYBBRT-LIRRHRJNSA-N 1 1 326.396 2.716 20 10 EFCDMO C[C@@H](NC(=O)N1CCC[N@H+]2CCC[C@H]2C1)c1ccc(N(C)C)cc1 ZINC001338359869 1331697714 /nfs/dbraw/zinc/69/77/14/1331697714.db2.gz XZUGVLUXWMZEBX-QAPCUYQASA-N 1 1 330.476 2.693 20 10 EFCDMO C[C@H](NC(=O)N1CCC[N@H+]2CCC[C@H]2C1)c1ccc(N(C)C)cc1 ZINC001338359870 1331697877 /nfs/dbraw/zinc/69/78/77/1331697877.db2.gz XZUGVLUXWMZEBX-YJBOKZPZSA-N 1 1 330.476 2.693 20 10 EFCDMO CCn1c(C2SC=CC2=O)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001340901755 1332219219 /nfs/dbraw/zinc/21/92/19/1332219219.db2.gz FHFUDPMQFRQEDW-UHFFFAOYSA-N 1 1 335.477 2.653 20 10 EFCDMO C[C@@H]1c2cccn2CCN1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001341524422 1332265700 /nfs/dbraw/zinc/26/57/00/1332265700.db2.gz SHEPZJQEVSBKKF-MRXNPFEDSA-N 1 1 342.462 2.956 20 10 EFCDMO O=C(NC1CC1)[C@H]1CCC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC001347701754 1332767661 /nfs/dbraw/zinc/76/76/61/1332767661.db2.gz MIOYFYZJBJGZJQ-JTQLQIEISA-N 1 1 326.799 2.675 20 10 EFCDMO O=C(NC1CC1)[C@H]1CCC[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC001347701754 1332767665 /nfs/dbraw/zinc/76/76/65/1332767665.db2.gz MIOYFYZJBJGZJQ-JTQLQIEISA-N 1 1 326.799 2.675 20 10 EFCDMO COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CC[C@@H]3C[C@@H](C)C[N@H+]3C2)c1 ZINC001348141826 1332803438 /nfs/dbraw/zinc/80/34/38/1332803438.db2.gz ZLONYJCZDLXGCU-LXTVHRRPSA-N 1 1 332.444 2.698 20 10 EFCDMO CC(C)[C@]1(CO)CC[N@@H+](Cc2c(O)cccc2Br)C1 ZINC001348384182 1332831743 /nfs/dbraw/zinc/83/17/43/1332831743.db2.gz TZPQPMJSERMSDQ-OAHLLOKOSA-N 1 1 328.250 2.995 20 10 EFCDMO COc1cc(C)cc(C[N@@H+](C)C[C@H](O)COCc2ccccc2)c1O ZINC001350308951 1333062511 /nfs/dbraw/zinc/06/25/11/1333062511.db2.gz CAPNSOLOQNCIIG-SFHVURJKSA-N 1 1 345.439 2.719 20 10 EFCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@](C(N)=O)(c2ccccc2)C1 ZINC001350328526 1333065230 /nfs/dbraw/zinc/06/52/30/1333065230.db2.gz WDKLIFIIAGHJRA-OAQYLSRUSA-N 1 1 337.467 2.690 20 10 EFCDMO Cc1cc(C(=O)C[N@@H+](C[C@@H](C)O)C2CC2)c(C)n1-c1ccc(F)cn1 ZINC000847106357 1333326402 /nfs/dbraw/zinc/32/64/02/1333326402.db2.gz QDIQJPAYZRCNHR-CYBMUJFWSA-N 1 1 345.418 2.656 20 10 EFCDMO Cc1cc(C(=O)C[N@H+](C[C@@H](C)O)C2CC2)c(C)n1-c1ccc(F)cn1 ZINC000847106357 1333326405 /nfs/dbraw/zinc/32/64/05/1333326405.db2.gz QDIQJPAYZRCNHR-CYBMUJFWSA-N 1 1 345.418 2.656 20 10 EFCDMO COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000847443900 1333725372 /nfs/dbraw/zinc/72/53/72/1333725372.db2.gz FYZCXCDBTADPHC-XKQJLSEDSA-N 1 1 347.459 2.778 20 10 EFCDMO O=C(NCc1cc(Cl)ccc1O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000847446625 1333731338 /nfs/dbraw/zinc/73/13/38/1333731338.db2.gz IHMNMDDEBPSOEU-LSDHHAIUSA-N 1 1 337.851 2.862 20 10 EFCDMO CC(=O)N1CCN(c2ccc(CNc3cc(F)cc(C)[nH+]3)cc2)CC1 ZINC001354172075 1334146075 /nfs/dbraw/zinc/14/60/75/1334146075.db2.gz STEBPNAPJQSRQI-UHFFFAOYSA-N 1 1 342.418 2.810 20 10 EFCDMO COc1ccc(CNC(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)c(O)c1 ZINC000848022592 1334167414 /nfs/dbraw/zinc/16/74/14/1334167414.db2.gz DTGOYIHVEHOESL-QGZVFWFLSA-N 1 1 348.830 2.973 20 10 EFCDMO CCN(CC)c1ccc(CNC2(CCO)CC[NH+](C)CC2)cc1F ZINC000848558058 1334794404 /nfs/dbraw/zinc/79/44/04/1334794404.db2.gz JLCQQLFBNSXGMR-UHFFFAOYSA-N 1 1 337.483 2.608 20 10 EFCDMO CCc1cccc(C[NH+]2CCN(C(=O)c3ccccc3O)CC2)c1O ZINC000848882208 1334958228 /nfs/dbraw/zinc/95/82/28/1334958228.db2.gz NEEPMLWYWJOHQE-UHFFFAOYSA-N 1 1 340.423 2.618 20 10 EFCDMO CCc1cccc(C[NH+]2CCN(C(=O)N3CCCCC3)CC2)c1O ZINC000848881051 1334958918 /nfs/dbraw/zinc/95/89/18/1334958918.db2.gz LRIQKRYEZJJDRL-UHFFFAOYSA-N 1 1 331.460 2.678 20 10 EFCDMO CCc1cccc(C[N@@H+](CCO)Cc2ccc(OC)cc2OC)c1O ZINC000848885221 1334961136 /nfs/dbraw/zinc/96/11/36/1334961136.db2.gz RLQWUPNQISKZBM-UHFFFAOYSA-N 1 1 345.439 2.966 20 10 EFCDMO CCc1cccc(C[N@H+]2CCC[C@H]2C[C@H](O)c2cnn(C)c2)c1O ZINC000848889529 1334963509 /nfs/dbraw/zinc/96/35/09/1334963509.db2.gz KPVWDXJYHQDZAB-ROUUACIJSA-N 1 1 329.444 2.776 20 10 EFCDMO CCc1cccc(C[N@H+]2CCC[C@@H]([C@H](O)c3nccn3C)C2)c1O ZINC000848890195 1334964844 /nfs/dbraw/zinc/96/48/44/1334964844.db2.gz PXIOBNNKHVABLI-AEFFLSMTSA-N 1 1 329.444 2.634 20 10 EFCDMO CCOC(=O)[C@@]1(COC)CCC[N@@H+](Cc2cccc(CC)c2O)C1 ZINC000848908796 1334976918 /nfs/dbraw/zinc/97/69/18/1334976918.db2.gz DLUWJWURKUZGBS-IBGZPJMESA-N 1 1 335.444 2.746 20 10 EFCDMO [O-]c1ccc(Cl)c(F)c1C[N@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000848930667 1334993860 /nfs/dbraw/zinc/99/38/60/1334993860.db2.gz VFBZCYNMCLKPEE-CYBMUJFWSA-N 1 1 342.842 2.871 20 10 EFCDMO Fc1cccc([C@@H]2CCNC[C@@H]2[NH2+]Cc2ccc3c(c2)CCO3)c1 ZINC000849350293 1335596576 /nfs/dbraw/zinc/59/65/76/1335596576.db2.gz WXYPBONWJIMVJD-OALUTQOASA-N 1 1 326.415 2.996 20 10 EFCDMO COc1cc(C[N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C2)c(O)cc1C ZINC000160422343 714088344 /nfs/dbraw/zinc/08/83/44/714088344.db2.gz SMQKUGYAFJRXRV-CQSZACIVSA-N 1 1 336.432 2.808 20 10 EFCDMO CCCC[N@@H+](Cc1cc(Cl)ccc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000160770087 714464660 /nfs/dbraw/zinc/46/46/60/714464660.db2.gz MLTHLRVSJOMERO-CQSZACIVSA-N 1 1 331.865 2.835 20 10 EFCDMO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000050901232 714508853 /nfs/dbraw/zinc/50/88/53/714508853.db2.gz MOKZZFMXJZFTGN-ZIAGYGMSSA-N 1 1 348.443 2.638 20 10 EFCDMO CS(=O)(=O)CCCC[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000162998924 717989789 /nfs/dbraw/zinc/98/97/89/717989789.db2.gz RNFQUWORMDPYIF-UHFFFAOYSA-N 1 1 337.441 2.812 20 10 EFCDMO CS(=O)(=O)CCCC[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000162998924 717989792 /nfs/dbraw/zinc/98/97/92/717989792.db2.gz RNFQUWORMDPYIF-UHFFFAOYSA-N 1 1 337.441 2.812 20 10 EFCDMO CC(C)[N@@H+](Cc1cnc2n1CCOC2)Cc1ccc(N(C)C)cc1 ZINC000891630891 714881448 /nfs/dbraw/zinc/88/14/48/714881448.db2.gz KKFHTFUMVVOXKO-UHFFFAOYSA-N 1 1 328.460 2.890 20 10 EFCDMO COc1ccc(C[N@H+](Cc2ccccc2)C[C@@H](C)O)c(O)c1OC ZINC000891722410 714975666 /nfs/dbraw/zinc/97/56/66/714975666.db2.gz XTCGBNJAZIAAMU-CQSZACIVSA-N 1 1 331.412 2.792 20 10 EFCDMO COCC[N@H+](Cc1ccco1)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000092562110 715114234 /nfs/dbraw/zinc/11/42/34/715114234.db2.gz IYXZXBGRYVKTFW-UHFFFAOYSA-N 1 1 348.418 2.904 20 10 EFCDMO COCC[N@@H+](Cc1ccco1)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000092562110 715114237 /nfs/dbraw/zinc/11/42/37/715114237.db2.gz IYXZXBGRYVKTFW-UHFFFAOYSA-N 1 1 348.418 2.904 20 10 EFCDMO COc1ccc(C[N@@H+](C)[C@H](CCO)c2ccccc2)c(O)c1OC ZINC000892053388 715235596 /nfs/dbraw/zinc/23/55/96/715235596.db2.gz VLGVYFAJVTWVSH-MRXNPFEDSA-N 1 1 331.412 2.965 20 10 EFCDMO COc1ccc(C[N@@H+](C)Cc2ccc([S@](C)=O)cc2)c(O)c1OC ZINC000892125981 715264931 /nfs/dbraw/zinc/26/49/31/715264931.db2.gz SSIBQSLOADELJM-DEOSSOPVSA-N 1 1 349.452 2.779 20 10 EFCDMO CCn1cc(C[NH+]2CCN(c3ccc(OC)c(F)c3)CC2)c(C)n1 ZINC000892222031 715369031 /nfs/dbraw/zinc/36/90/31/715369031.db2.gz MANWRVFTYKUPEW-UHFFFAOYSA-N 1 1 332.423 2.681 20 10 EFCDMO COc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCCN3C3CC3)C2)c(O)c1OC ZINC000892237472 715400559 /nfs/dbraw/zinc/40/05/59/715400559.db2.gz ZQLSSKNMMMUEEF-YOEHRIQHSA-N 1 1 346.471 2.858 20 10 EFCDMO COc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCCN3C3CC3)C2)c(O)c1OC ZINC000892237472 715400562 /nfs/dbraw/zinc/40/05/62/715400562.db2.gz ZQLSSKNMMMUEEF-YOEHRIQHSA-N 1 1 346.471 2.858 20 10 EFCDMO CC(C)(C)C[N@@H+](CCCO)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000093146153 716009837 /nfs/dbraw/zinc/00/98/37/716009837.db2.gz ODGHBNBNSKZPRI-UHFFFAOYSA-N 1 1 338.467 2.893 20 10 EFCDMO CN(Cc1ccccc1O)C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000126624779 716136319 /nfs/dbraw/zinc/13/63/19/716136319.db2.gz JZYXFAJDLUOGGN-UHFFFAOYSA-N 1 1 339.439 2.592 20 10 EFCDMO CC1(C)C[N@@H+](CCCF)C[C@@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000977658731 716450489 /nfs/dbraw/zinc/45/04/89/716450489.db2.gz IWJDVDIIDQTZGQ-AWEZNQCLSA-N 1 1 349.410 2.649 20 10 EFCDMO C[N@@H+](CC1CC1)[C@@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001027699149 716562934 /nfs/dbraw/zinc/56/29/34/716562934.db2.gz ZCZWDDZAPXCCSH-MRXNPFEDSA-N 1 1 343.431 2.795 20 10 EFCDMO COc1ccc2c(c1)CC[N@H+](Cc1ccc(OC)c(OC)c1O)C2 ZINC000895389109 724104386 /nfs/dbraw/zinc/10/43/86/724104386.db2.gz RYAXKSVEFWQPDC-UHFFFAOYSA-N 1 1 329.396 2.976 20 10 EFCDMO CC(C)C[N@@H+](C)[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000980511861 717377064 /nfs/dbraw/zinc/37/70/64/717377064.db2.gz SNFYMCOHKOHNGG-HNNXBMFYSA-N 1 1 331.420 2.651 20 10 EFCDMO CCOC(=O)C[N@@H+](Cc1cc(Br)ccc1O)C(C)C ZINC000179423976 717463018 /nfs/dbraw/zinc/46/30/18/717463018.db2.gz XDAMJXLVOJRXHO-UHFFFAOYSA-N 1 1 330.222 2.928 20 10 EFCDMO Cc1ccc(C(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c(O)c1O ZINC000177672561 718154865 /nfs/dbraw/zinc/15/48/65/718154865.db2.gz JINKLGHIAGGYGU-OKILXGFUSA-N 1 1 334.460 2.894 20 10 EFCDMO CCN(CC)c1ccc(CNC(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1 ZINC000177708352 718174718 /nfs/dbraw/zinc/17/47/18/718174718.db2.gz KTFJZFUPKDMLNQ-RDJZCZTQSA-N 1 1 344.503 2.957 20 10 EFCDMO COc1ccc(CNCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c(O)c1OC ZINC000892591759 718318402 /nfs/dbraw/zinc/31/84/02/718318402.db2.gz JIUYZJDSTFDWTC-GJZGRUSLSA-N 1 1 336.476 2.867 20 10 EFCDMO c1cc(N2CCSCC2)ccc1CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166213919 718604406 /nfs/dbraw/zinc/60/44/06/718604406.db2.gz IGVRKYDCUPIOFP-PKOBYXMFSA-N 1 1 331.529 2.956 20 10 EFCDMO c1cc(N2CCSCC2)ccc1CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166213919 718604412 /nfs/dbraw/zinc/60/44/12/718604412.db2.gz IGVRKYDCUPIOFP-PKOBYXMFSA-N 1 1 331.529 2.956 20 10 EFCDMO c1cc(N2CCSCC2)ccc1CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166213791 718604695 /nfs/dbraw/zinc/60/46/95/718604695.db2.gz IGVRKYDCUPIOFP-IEBWSBKVSA-N 1 1 331.529 2.956 20 10 EFCDMO c1cc(N2CCSCC2)ccc1CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166213791 718604698 /nfs/dbraw/zinc/60/46/98/718604698.db2.gz IGVRKYDCUPIOFP-IEBWSBKVSA-N 1 1 331.529 2.956 20 10 EFCDMO CCC[N@H+]1CCCC2(CN(C(=O)c3ccc(N=NC(N)=O)cc3)C2)C1 ZINC000982166786 719621830 /nfs/dbraw/zinc/62/18/30/719621830.db2.gz OBCOIPIPBRAADY-UHFFFAOYSA-N 1 1 343.431 2.797 20 10 EFCDMO CC1(C)CC[N@@H+](CCNC(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000893133411 719720509 /nfs/dbraw/zinc/72/05/09/719720509.db2.gz AWRHMUJHPFNXOA-UHFFFAOYSA-N 1 1 342.487 2.594 20 10 EFCDMO Oc1c(F)cc(F)cc1C[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000894006535 720219619 /nfs/dbraw/zinc/21/96/19/720219619.db2.gz WBDISNCCTWSWQE-NSHDSACASA-N 1 1 334.370 2.588 20 10 EFCDMO Oc1c(F)cc(F)cc1C[N@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000894006535 720219620 /nfs/dbraw/zinc/21/96/20/720219620.db2.gz WBDISNCCTWSWQE-NSHDSACASA-N 1 1 334.370 2.588 20 10 EFCDMO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@H+]1Cc1cc(C)cc(OC)c1O ZINC000894053324 720253002 /nfs/dbraw/zinc/25/30/02/720253002.db2.gz JBHLGVFVNBSIRC-SJORKVTESA-N 1 1 334.460 2.931 20 10 EFCDMO COc1ccc(C[N@H+]2CCC[C@H](c3nccn3C)C2)c(O)c1OC ZINC000894061145 720258384 /nfs/dbraw/zinc/25/83/84/720258384.db2.gz DZDBVKUVCZEGJB-AWEZNQCLSA-N 1 1 331.416 2.523 20 10 EFCDMO Cc1cc(N(C)C)ccc1C[N@@H+](C)CC(=O)NCc1ccccc1 ZINC000840918698 721019233 /nfs/dbraw/zinc/01/92/33/721019233.db2.gz ZADLNSNJOGQGSH-UHFFFAOYSA-N 1 1 325.456 2.809 20 10 EFCDMO NC(=O)N=Nc1ccc(C(=O)NC[C@H]2CC[N@@H+](CC3CCC3)C2)cc1 ZINC001029013803 722637460 /nfs/dbraw/zinc/63/74/60/722637460.db2.gz HXVPEEOOQMBCQW-CQSZACIVSA-N 1 1 343.431 2.701 20 10 EFCDMO CC(C)CC[N@H+]1CC[C@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001029013484 722638172 /nfs/dbraw/zinc/63/81/72/722638172.db2.gz AXGVMNKTBFOYMJ-CQSZACIVSA-N 1 1 345.447 2.947 20 10 EFCDMO CC[C@@H](C)C[N@H+]1CC[C@@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001029014179 722639740 /nfs/dbraw/zinc/63/97/40/722639740.db2.gz QULPEXBHFKRXLC-KGLIPLIRSA-N 1 1 345.447 2.947 20 10 EFCDMO CC[C@@H](C)C[N@H+]1CC[C@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001029014181 722639856 /nfs/dbraw/zinc/63/98/56/722639856.db2.gz QULPEXBHFKRXLC-ZIAGYGMSSA-N 1 1 345.447 2.947 20 10 EFCDMO CC(C)=CC[N@H+]1CC[C@@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001029014345 722640301 /nfs/dbraw/zinc/64/03/01/722640301.db2.gz WWCWJVNCMAOZFL-AWEZNQCLSA-N 1 1 343.431 2.867 20 10 EFCDMO C[N@@H+]1CCCN(CCC[NH2+]Cc2ccc3ccccc3c2[O-])CC1 ZINC000894377029 722651584 /nfs/dbraw/zinc/65/15/84/722651584.db2.gz XVXCWBSVTJHZFF-UHFFFAOYSA-N 1 1 327.472 2.663 20 10 EFCDMO C[N@H+]1CCCN(CCC[NH2+]Cc2ccc3ccccc3c2[O-])CC1 ZINC000894377029 722651585 /nfs/dbraw/zinc/65/15/85/722651585.db2.gz XVXCWBSVTJHZFF-UHFFFAOYSA-N 1 1 327.472 2.663 20 10 EFCDMO Oc1c(F)cc(F)cc1C[NH+]1CCC(OC[C@@H]2CCOC2)CC1 ZINC000894442459 722735675 /nfs/dbraw/zinc/73/56/75/722735675.db2.gz RZPUDRIVOBJKPB-GFCCVEGCSA-N 1 1 327.371 2.688 20 10 EFCDMO COCCC[N@@H+](Cc1ccncc1)Cc1ccc(OC)c(OC)c1O ZINC000894463561 722744001 /nfs/dbraw/zinc/74/40/01/722744001.db2.gz XRIPAOAUIICBII-UHFFFAOYSA-N 1 1 346.427 2.843 20 10 EFCDMO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(Br)cc(F)c2O)[C@@H]1OC ZINC000894466963 722747514 /nfs/dbraw/zinc/74/75/14/722747514.db2.gz RBHKKDIMYWUMFM-SCRDCRAPSA-N 1 1 348.212 2.576 20 10 EFCDMO COc1ccc(C[N@H+]2CC[C@H](n3cc(Cl)cn3)C2)c(O)c1OC ZINC000894561799 722781917 /nfs/dbraw/zinc/78/19/17/722781917.db2.gz YVCQQQAJZRPCMJ-ZDUSSCGKSA-N 1 1 337.807 2.706 20 10 EFCDMO [O-]c1c(F)cc(F)cc1C[N@@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000894748557 722833357 /nfs/dbraw/zinc/83/33/57/722833357.db2.gz OTZRTYSCWBUDIO-ZDUSSCGKSA-N 1 1 325.277 2.950 20 10 EFCDMO Oc1c(F)cc(F)cc1C[N@@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000894748557 722833358 /nfs/dbraw/zinc/83/33/58/722833358.db2.gz OTZRTYSCWBUDIO-ZDUSSCGKSA-N 1 1 325.277 2.950 20 10 EFCDMO COc1ccc(CN2CC([N@@H+](C)Cc3ccccc3)C2)c(O)c1OC ZINC000894825027 722865852 /nfs/dbraw/zinc/86/58/52/722865852.db2.gz IHVKLBHPTCSYEF-UHFFFAOYSA-N 1 1 342.439 2.726 20 10 EFCDMO OCCC[C@H]1CC[N@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000894960184 723035555 /nfs/dbraw/zinc/03/55/55/723035555.db2.gz WDJHZVGFGTXNTG-JTQLQIEISA-N 1 1 332.213 2.888 20 10 EFCDMO OCCC[C@H]1CC[N@@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000894960184 723035557 /nfs/dbraw/zinc/03/55/57/723035557.db2.gz WDJHZVGFGTXNTG-JTQLQIEISA-N 1 1 332.213 2.888 20 10 EFCDMO NC(=O)[C@@H]1C[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C[C@H]1c1ccccc1 ZINC000895005606 723047096 /nfs/dbraw/zinc/04/70/96/723047096.db2.gz OWCYTAWIGUFDAP-UONOGXRCSA-N 1 1 348.805 2.886 20 10 EFCDMO NC(=O)[C@@H]1C[N@H+](Cc2cc(Cl)c(F)cc2O)C[C@H]1c1ccccc1 ZINC000895005606 723047097 /nfs/dbraw/zinc/04/70/97/723047097.db2.gz OWCYTAWIGUFDAP-UONOGXRCSA-N 1 1 348.805 2.886 20 10 EFCDMO NC(=O)[C@@H]1C[N@@H+](Cc2cc(Cl)c(F)cc2O)C[C@H]1c1ccccc1 ZINC000895005606 723047098 /nfs/dbraw/zinc/04/70/98/723047098.db2.gz OWCYTAWIGUFDAP-UONOGXRCSA-N 1 1 348.805 2.886 20 10 EFCDMO NC(=O)[C@@]1(c2ccccc2)CC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000895000619 723048585 /nfs/dbraw/zinc/04/85/85/723048585.db2.gz JMPJLYBBRJKVDA-SFHVURJKSA-N 1 1 348.805 2.814 20 10 EFCDMO NC(=O)[C@@]1(c2ccccc2)CC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000895000619 723048586 /nfs/dbraw/zinc/04/85/86/723048586.db2.gz JMPJLYBBRJKVDA-SFHVURJKSA-N 1 1 348.805 2.814 20 10 EFCDMO Cc1cccc(C[N@@H+](C)CC(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000917841222 728794345 /nfs/dbraw/zinc/79/43/45/728794345.db2.gz DKGSAXUUDDVILG-UHFFFAOYSA-N 1 1 325.456 2.809 20 10 EFCDMO Cc1cccc(C[N@H+](C)CC(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000917841222 728794348 /nfs/dbraw/zinc/79/43/48/728794348.db2.gz DKGSAXUUDDVILG-UHFFFAOYSA-N 1 1 325.456 2.809 20 10 EFCDMO COc1cc(Br)cc(C[N@H+]2CCCCC[C@H]2CO)c1O ZINC000895150729 723469268 /nfs/dbraw/zinc/46/92/68/723469268.db2.gz BYTKWSSSPMFBQO-ZDUSSCGKSA-N 1 1 344.249 2.900 20 10 EFCDMO CN(Cc1cccs1)c1ccc(C[N@H+]2C[C@@H](O)C[C@]2(C)CO)cc1 ZINC000895326452 724035089 /nfs/dbraw/zinc/03/50/89/724035089.db2.gz XVDVTMKUNTVVHO-PKOBYXMFSA-N 1 1 346.496 2.702 20 10 EFCDMO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N(C)[C@H]1CCC[N@@H+](C)C1 ZINC000895393891 724108939 /nfs/dbraw/zinc/10/89/39/724108939.db2.gz JCQKJMJETUZDBY-APWZRJJASA-N 1 1 346.519 2.728 20 10 EFCDMO COc1ccc(CN2CCCC[C@@H]2[C@H](C)C[NH+](C)C)c(O)c1OC ZINC000895508079 724163747 /nfs/dbraw/zinc/16/37/47/724163747.db2.gz DXDVRVLZLVFTIK-GDBMZVCRSA-N 1 1 336.476 2.962 20 10 EFCDMO COc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H](C)CN(C)C)c(O)c1OC ZINC000895508079 724163748 /nfs/dbraw/zinc/16/37/48/724163748.db2.gz DXDVRVLZLVFTIK-GDBMZVCRSA-N 1 1 336.476 2.962 20 10 EFCDMO COc1ccc(C[N@H+]2CCCC[C@@H]2[C@H](C)CN(C)C)c(O)c1OC ZINC000895508079 724163752 /nfs/dbraw/zinc/16/37/52/724163752.db2.gz DXDVRVLZLVFTIK-GDBMZVCRSA-N 1 1 336.476 2.962 20 10 EFCDMO COc1ccc(C[N@H+]2CCC[C@@](O)(c3ccccc3)C2)c(O)c1OC ZINC000895587446 724208604 /nfs/dbraw/zinc/20/86/04/724208604.db2.gz UIYXJJJZNYPALF-FQEVSTJZSA-N 1 1 343.423 2.893 20 10 EFCDMO COc1ccc(C[N@@H+](CCO)Cc2cc(C)cc(OC)c2O)cc1 ZINC000895711068 724270456 /nfs/dbraw/zinc/27/04/56/724270456.db2.gz OTQQLUWZLJEPHD-UHFFFAOYSA-N 1 1 331.412 2.712 20 10 EFCDMO CCOc1ccc(O)c(C[N@@H+](CCO)Cc2ccc(OC)cc2)c1 ZINC000895711721 724270932 /nfs/dbraw/zinc/27/09/32/724270932.db2.gz UYOUSVLARSKLNL-UHFFFAOYSA-N 1 1 331.412 2.794 20 10 EFCDMO Cc1cc(Br)cc(C[N@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)c1O ZINC000895781156 724318884 /nfs/dbraw/zinc/31/88/84/724318884.db2.gz FISWLSRMRYXZGO-GDLCADMTSA-N 1 1 326.234 2.666 20 10 EFCDMO COc1ccc(O)c(C[N@@H+](C)C[C@@H]2CCN2C(=O)OC(C)(C)C)c1 ZINC000897405437 725011078 /nfs/dbraw/zinc/01/10/78/725011078.db2.gz CWPQOUIMYXGKJQ-AWEZNQCLSA-N 1 1 336.432 2.842 20 10 EFCDMO COc1cccc(O)c1C[N@@H+](C)C[C@@H]1CCN1C(=O)OC(C)(C)C ZINC000897406033 725012835 /nfs/dbraw/zinc/01/28/35/725012835.db2.gz 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20 10 EFCDMO COc1ccc(O)c(C[N@H+](C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)c1 ZINC000179664870 729610293 /nfs/dbraw/zinc/61/02/93/729610293.db2.gz FMERQHFFSHCFEP-CYBMUJFWSA-N 1 1 349.452 2.997 20 10 EFCDMO COc1ccc(O)c(C[N@@H+](C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)c1 ZINC000179664870 729610294 /nfs/dbraw/zinc/61/02/94/729610294.db2.gz FMERQHFFSHCFEP-CYBMUJFWSA-N 1 1 349.452 2.997 20 10 EFCDMO Cc1cccc(C[N@H+](C)[C@@H](C)c2cccc(S(N)(=O)=O)c2)c1O ZINC000179882380 729645697 /nfs/dbraw/zinc/64/56/97/729645697.db2.gz GNMYORABUODAGP-ZDUSSCGKSA-N 1 1 334.441 2.541 20 10 EFCDMO COc1ccccc1CN1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000180067762 729682191 /nfs/dbraw/zinc/68/21/91/729682191.db2.gz WFHFGCVLPNMSDP-UHFFFAOYSA-N 1 1 330.403 2.858 20 10 EFCDMO Cc1cccc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1O ZINC000180344305 729732639 /nfs/dbraw/zinc/73/26/39/729732639.db2.gz BCOZGBXEVBGTDA-CQSZACIVSA-N 1 1 328.372 2.690 20 10 EFCDMO C/C(=C\C(=O)N1C[C@@H](C)[NH2+]Cc2ccc(F)cc21)c1cnccn1 ZINC001574969365 1088178133 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COc1cc(C)c(C[N@@H+](C)Cc2ccc(-c3nn[nH]n3)cc2)c(O)c1 ZINC001591518631 1093747842 /nfs/dbraw/zinc/74/78/42/1093747842.db2.gz BZPYQYZNCMTGMZ-UHFFFAOYSA-N 1 1 339.399 2.521 20 10 EFCDMO COc1ccc(O)c(C[N@@H+](C)[C@H](C)c2cccc(-c3nn[nH]n3)c2)c1 ZINC001591618141 1093801188 /nfs/dbraw/zinc/80/11/88/1093801188.db2.gz FJUIVVFRJZCNSF-GFCCVEGCSA-N 1 1 339.399 2.774 20 10 EFCDMO COc1cc(Br)cc(C[N@H+]2CCC[C@H]([C@@H](C)O)C2)c1O ZINC000780893707 1094587162 /nfs/dbraw/zinc/58/71/62/1094587162.db2.gz ZDOSMRNFMYXRIB-MNOVXSKESA-N 1 1 344.249 2.756 20 10 EFCDMO COc1cc(Br)cc(C[N@H+]2CCC[C@@H]([C@H](C)O)C2)c1O ZINC000780893709 1094587756 /nfs/dbraw/zinc/58/77/56/1094587756.db2.gz ZDOSMRNFMYXRIB-WDEREUQCSA-N 1 1 344.249 2.756 20 10 EFCDMO COc1ccc(C[NH2+][C@H](C)c2ccc(F)cc2O)cc1-c1nn[nH]n1 ZINC001605283867 1097081409 /nfs/dbraw/zinc/08/14/09/1097081409.db2.gz TWZYSDZHPKSOCI-SNVBAGLBSA-N 1 1 343.362 2.571 20 10 EFCDMO CN(C)c1ccc(CNC(=O)C[N@H+]2CC[C@H]3CCCC[C@@H]3C2)cc1 ZINC000007241703 1098246958 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O=[N+]([O-])c1ccc([O-])c(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000192924802 240073684 /nfs/dbraw/zinc/07/36/84/240073684.db2.gz ILIKKBZBCRYRNZ-INIZCTEOSA-N 1 1 341.411 2.912 20 10 EFCDMO O=[N+]([O-])c1ccc([O-])c(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000192924790 240074596 /nfs/dbraw/zinc/07/45/96/240074596.db2.gz ILIKKBZBCRYRNZ-MRXNPFEDSA-N 1 1 341.411 2.912 20 10 EFCDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2cccc(O)c2O)C1 ZINC000193069246 240082221 /nfs/dbraw/zinc/08/22/21/240082221.db2.gz DVWOWIDSHSSNOI-CABCVRRESA-N 1 1 332.444 2.824 20 10 EFCDMO CCN1CCN(c2ccc(C[NH2+]C[C@@H]3CCC=CO3)cc2F)CC1 ZINC000194399458 240152158 /nfs/dbraw/zinc/15/21/58/240152158.db2.gz VVKVDDSUNWVMQQ-KRWDZBQOSA-N 1 1 333.451 2.750 20 10 EFCDMO CC[N@@H+](CCNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)C1CC1 ZINC000263681388 240388915 /nfs/dbraw/zinc/38/89/15/240388915.db2.gz KQYQOXXJEKMBSD-UHFFFAOYSA-N 1 1 344.503 2.911 20 10 EFCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCCN(C)CC(F)(F)F)c1 ZINC000273368791 240695893 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CN(C)c1ccc(C[N@@H+](CC(=O)N(C)Cc2ccco2)C2CC2)cc1 ZINC000298718434 241158566 /nfs/dbraw/zinc/15/85/66/241158566.db2.gz NQOVJZFPSFHNDK-UHFFFAOYSA-N 1 1 341.455 2.969 20 10 EFCDMO O=C(NCc1ccccc1O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000299528314 241180106 /nfs/dbraw/zinc/18/01/06/241180106.db2.gz RQQOQFZALIBDFT-GOSISDBHSA-N 1 1 339.439 2.856 20 10 EFCDMO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2Cc1c(O)ccc(Cl)c1F ZINC000364715359 242307194 /nfs/dbraw/zinc/30/71/94/242307194.db2.gz DFABYKLSQIJDIK-XFJVYGCCSA-N 1 1 342.842 2.868 20 10 EFCDMO C[C@H]1[C@@H](N2CCCC2)CC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000367681712 242387617 /nfs/dbraw/zinc/38/76/17/242387617.db2.gz DWNWUNXHVGJMDM-PXNSSMCTSA-N 1 1 329.488 2.582 20 10 EFCDMO C[C@H]1[C@@H](N2CCCC2)CC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000367681712 242387623 /nfs/dbraw/zinc/38/76/23/242387623.db2.gz DWNWUNXHVGJMDM-PXNSSMCTSA-N 1 1 329.488 2.582 20 10 EFCDMO C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc(F)c(F)c1[O-] ZINC000187700803 296120666 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CN(C)c1ccc(C[NH2+][C@@H](CS(C)(=O)=O)c2ccccc2)cc1 ZINC000154972882 276883601 /nfs/dbraw/zinc/88/36/01/276883601.db2.gz AZFKGVVUYXRPJW-SFHVURJKSA-N 1 1 332.469 2.628 20 10 EFCDMO Cc1c2ccccc2n(C)c1CN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423081379 301018344 /nfs/dbraw/zinc/01/83/44/301018344.db2.gz BMQHYYCRSVKDPP-RCCFBDPRSA-N 1 1 327.472 2.733 20 10 EFCDMO Cc1nn(C)c(Cl)c1/C=C\C(=O)N1CC[NH2+]Cc2ccccc21 ZINC000493665186 314437297 /nfs/dbraw/zinc/43/72/97/314437297.db2.gz UFSJMKXYCWMCKM-FPLPWBNLSA-N 1 1 330.819 2.532 20 10 EFCDMO C[C@H]([NH2+]Cc1cccnc1N1CCOCC1)c1ccc(F)cc1O ZINC000184986205 473291540 /nfs/dbraw/zinc/29/15/40/473291540.db2.gz NPRSZFSTLOPCTG-ZDUSSCGKSA-N 1 1 331.391 2.614 20 10 EFCDMO CC(=O)NC[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000177058433 473296541 /nfs/dbraw/zinc/29/65/41/473296541.db2.gz CZCNVRRVISLCRY-CYBMUJFWSA-N 1 1 338.835 2.596 20 10 EFCDMO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ccnc(N3CCN(C)CC3)c2)c1 ZINC000185041948 473310205 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Oc1cccc(Cl)c1C[N@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000119847157 472589737 /nfs/dbraw/zinc/58/97/37/472589737.db2.gz YABWIYYFRFJELC-LBPRGKRZSA-N 1 1 332.835 2.963 20 10 EFCDMO CN(C)c1ccc(C[N@H+](C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)cc1F ZINC000130756074 472626702 /nfs/dbraw/zinc/62/67/02/472626702.db2.gz BWHKDWGXVIRKFD-IRXDYDNUSA-N 1 1 342.480 2.679 20 10 EFCDMO CN(C)c1ccc(C[N@@H+](C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)cc1F ZINC000130756074 472626705 /nfs/dbraw/zinc/62/67/05/472626705.db2.gz BWHKDWGXVIRKFD-IRXDYDNUSA-N 1 1 342.480 2.679 20 10 EFCDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N(C)Cc2ccccc2O)C1 ZINC000131073451 472648127 /nfs/dbraw/zinc/64/81/27/472648127.db2.gz SVUNRIZMZROMIR-MRXNPFEDSA-N 1 1 333.476 2.902 20 10 EFCDMO CC(C)[C@@H](C[NH2+][C@H](C)c1ccc(N(C)C)cc1)N1CCN(C)CC1 ZINC000132371397 472729736 /nfs/dbraw/zinc/72/97/36/472729736.db2.gz JYEZUULOSHHJKG-YLJYHZDGSA-N 1 1 332.536 2.675 20 10 EFCDMO CC[N@@H+](CC[C@H]1CCOC1=O)Cc1cc(Br)ccc1O ZINC000120783927 472747137 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EFCDMO CCN(CC)c1ccc(C[N@H+](C2CC2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000157091278 472785337 /nfs/dbraw/zinc/78/53/37/472785337.db2.gz JXPZTJHRENOWSR-GOSISDBHSA-N 1 1 336.501 2.684 20 10 EFCDMO CCN(CC)c1ccc(C[N@@H+](C2CC2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000157091278 472785342 /nfs/dbraw/zinc/78/53/42/472785342.db2.gz JXPZTJHRENOWSR-GOSISDBHSA-N 1 1 336.501 2.684 20 10 EFCDMO Cn1ccnc1[C@H](O)[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000092011089 472841289 /nfs/dbraw/zinc/84/12/89/472841289.db2.gz KEXNPLMGMUGYNX-BLLLJJGKSA-N 1 1 335.835 2.725 20 10 EFCDMO CCCOc1ccc(C[N@@H+]2CCO[C@@](C)(c3cnn(C)c3)C2)c(O)c1 ZINC000092017004 472844206 /nfs/dbraw/zinc/84/42/06/472844206.db2.gz QYLJBYBAKUMNKY-LJQANCHMSA-N 1 1 345.443 2.662 20 10 EFCDMO CCCOc1ccc(C[N@H+]2CCO[C@@](C)(c3cnn(C)c3)C2)c(O)c1 ZINC000092017004 472844211 /nfs/dbraw/zinc/84/42/11/472844211.db2.gz QYLJBYBAKUMNKY-LJQANCHMSA-N 1 1 345.443 2.662 20 10 EFCDMO CCCOc1ccc(C[N@H+]2CCC[C@H](Cn3ccnn3)C2)c(O)c1 ZINC000092070602 472850972 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Cc1cc(C(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)no1 ZINC000158082674 472890988 /nfs/dbraw/zinc/89/09/88/472890988.db2.gz OIBURHIEJAYWJK-AWEZNQCLSA-N 1 1 349.818 2.736 20 10 EFCDMO CCCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](Cc2cccc(OC)c2O)C1 ZINC000092400778 472906518 /nfs/dbraw/zinc/90/65/18/472906518.db2.gz RMVAFHXOBBDKLP-HOCLYGCPSA-N 1 1 334.460 2.918 20 10 EFCDMO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](Cc2cccc(OC)c2O)C1 ZINC000092400775 472906977 /nfs/dbraw/zinc/90/69/77/472906977.db2.gz RMVAFHXOBBDKLP-GOEBONIOSA-N 1 1 334.460 2.918 20 10 EFCDMO CCOc1ccc(O)c(C[N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000092704353 472967923 /nfs/dbraw/zinc/96/79/23/472967923.db2.gz IUDAPOCZHNCXOG-CQSZACIVSA-N 1 1 336.432 2.890 20 10 EFCDMO CCOc1cccc(C[N@H+]2CCC[C@@H](CNC(=O)C(C)C)C2)c1O ZINC000092706212 472968372 /nfs/dbraw/zinc/96/83/72/472968372.db2.gz FVOYDUHHZDRHIW-HNNXBMFYSA-N 1 1 334.460 2.775 20 10 EFCDMO CCCCNC(=O)[C@H]1CCC[N@@H+](Cc2cc(OCC)ccc2O)C1 ZINC000092710470 472970949 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CCc1nsc(N2CCC[N@@H+](Cc3cc(C)ccc3O)CC2)n1 ZINC000093871619 473156469 /nfs/dbraw/zinc/15/64/69/473156469.db2.gz ZBSMLFRAIZSFNT-UHFFFAOYSA-N 1 1 332.473 2.827 20 10 EFCDMO C[N@H+](Cc1ccccc1O)[C@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000111234979 473197715 /nfs/dbraw/zinc/19/77/15/473197715.db2.gz BYEAWEMURWFBSM-SFHVURJKSA-N 1 1 328.387 2.983 20 10 EFCDMO C[N@@H+](Cc1ccccc1O)[C@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000111234979 473197718 /nfs/dbraw/zinc/19/77/18/473197718.db2.gz BYEAWEMURWFBSM-SFHVURJKSA-N 1 1 328.387 2.983 20 10 EFCDMO COc1ccccc1[C@@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1O ZINC000111236126 473197868 /nfs/dbraw/zinc/19/78/68/473197868.db2.gz DNAHWHYPMRDOIU-CQSZACIVSA-N 1 1 328.412 2.710 20 10 EFCDMO Cc1nn(C)c(C)c1C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000111233025 473197931 /nfs/dbraw/zinc/19/79/31/473197931.db2.gz VPZXCNJLNKVCGB-KRWDZBQOSA-N 1 1 329.444 2.924 20 10 EFCDMO C[N@@H+](CCCOc1ccc(S(C)(=O)=O)cc1)Cc1ccccc1O ZINC000111236332 473198437 /nfs/dbraw/zinc/19/84/37/473198437.db2.gz 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ZINC000126744737 473542453 /nfs/dbraw/zinc/54/24/53/473542453.db2.gz ATECKFDMFVVKJS-UHFFFAOYSA-N 1 1 342.487 2.736 20 10 EFCDMO Cc1cc(C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)c(C)n1-c1ccccn1 ZINC000115441731 473570119 /nfs/dbraw/zinc/57/01/19/473570119.db2.gz UKOTUADLNUGFPB-QGZVFWFLSA-N 1 1 340.471 2.903 20 10 EFCDMO COC(=O)COc1cccc(C[NH2+][C@H](C)c2ccc(F)cc2O)c1 ZINC000186049557 473579228 /nfs/dbraw/zinc/57/92/28/473579228.db2.gz GQRTUBZOPGJFNS-GFCCVEGCSA-N 1 1 333.359 2.934 20 10 EFCDMO C[C@@H]([NH2+]CCCN1C(=O)COc2ccccc21)c1ccc(F)cc1O ZINC000186078611 473585717 /nfs/dbraw/zinc/58/57/17/473585717.db2.gz MHTAYWMCTDBHKD-CYBMUJFWSA-N 1 1 344.386 2.998 20 10 EFCDMO CCOc1ccccc1C(=O)N1CC[NH+](Cc2ccccc2O)CC1 ZINC000179556907 473694691 /nfs/dbraw/zinc/69/46/91/473694691.db2.gz DZNLMYZBDONHPT-UHFFFAOYSA-N 1 1 340.423 2.749 20 10 EFCDMO Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3O)CC2)cc1F ZINC000179561794 473694877 /nfs/dbraw/zinc/69/48/77/473694877.db2.gz VPDXJYVHUZSOAW-UHFFFAOYSA-N 1 1 328.387 2.798 20 10 EFCDMO C[C@H]([NH2+][C@H]1CCCN(C(=O)N2CCCC2)C1)c1ccc(F)cc1O ZINC000287623426 473716392 /nfs/dbraw/zinc/71/63/92/473716392.db2.gz TUFHLWLWJKZPMA-ZFWWWQNUSA-N 1 1 335.423 2.862 20 10 EFCDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)Cc2ccc(N)cc2)C1 ZINC000263258876 473746024 /nfs/dbraw/zinc/74/60/24/473746024.db2.gz LPQMPFJBEPGHCB-FUHWJXTLSA-N 1 1 329.488 2.924 20 10 EFCDMO COc1ccc(O)c(C[N@H+]2CCCN(C(=O)OCC(C)C)CC2)c1 ZINC000179944624 473759956 /nfs/dbraw/zinc/75/99/56/473759956.db2.gz BRMNEZDTTRYXFW-UHFFFAOYSA-N 1 1 336.432 2.701 20 10 EFCDMO CC(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000274232935 473768524 /nfs/dbraw/zinc/76/85/24/473768524.db2.gz UPPGAWFSGCITPL-ZDUSSCGKSA-N 1 1 335.400 2.675 20 10 EFCDMO COc1ccc(O)c(C[N@@H+](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000180067887 473790516 /nfs/dbraw/zinc/79/05/16/473790516.db2.gz SQMMTACPROJMOF-CQSZACIVSA-N 1 1 336.432 2.842 20 10 EFCDMO COc1ccc(CN2CCC[N@@H+](Cc3ccccc3O)CC2=O)cc1 ZINC000274415936 473813070 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Cc1cc(Br)cc(C[N@H+](C)CCNC(=O)C(C)C)c1O ZINC000180796870 473967698 /nfs/dbraw/zinc/96/76/98/473967698.db2.gz XHDVPADWXPUUTG-UHFFFAOYSA-N 1 1 343.265 2.667 20 10 EFCDMO O=C(/C=C/c1ccc(O)c(O)c1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000181237637 474018086 /nfs/dbraw/zinc/01/80/86/474018086.db2.gz OMJKSYTZKXKQEA-LTBXPFIXSA-N 1 1 342.439 2.586 20 10 EFCDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000181236014 474018309 /nfs/dbraw/zinc/01/83/09/474018309.db2.gz OAUFMOGLCGYUEV-IQIBNGDESA-N 1 1 332.444 2.595 20 10 EFCDMO COc1ccc(N2CCN(Cc3cc(OC)cc(C)[nH+]3)CC2)cc1 ZINC000270374509 474095273 /nfs/dbraw/zinc/09/52/73/474095273.db2.gz ZSFVYONBOBNVPV-UHFFFAOYSA-N 1 1 327.428 2.729 20 10 EFCDMO CN1CCCc2cc(C[NH2+]Cc3ncc(C4OCCO4)s3)ccc21 ZINC000289198610 474180469 /nfs/dbraw/zinc/18/04/69/474180469.db2.gz HLEBUIULPNBNNN-UHFFFAOYSA-N 1 1 345.468 2.861 20 10 EFCDMO CC[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)c1nccn1C ZINC000182571782 474208950 /nfs/dbraw/zinc/20/89/50/474208950.db2.gz YXRGQYGFFVMWIL-QGZVFWFLSA-N 1 1 346.450 2.761 20 10 EFCDMO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)Cc2ccc(N)cc2)c1 ZINC000236663758 474278434 /nfs/dbraw/zinc/27/84/34/474278434.db2.gz PXEHAPILRDPVKV-UHFFFAOYSA-N 1 1 325.456 2.968 20 10 EFCDMO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc2c(cc1O)OCO2 ZINC000283048039 474284215 /nfs/dbraw/zinc/28/42/15/474284215.db2.gz OQAJUEJXNSIONK-CABCVRRESA-N 1 1 339.395 2.675 20 10 EFCDMO Cc1ccc(O)c(CNc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)c1 ZINC000283272790 474357440 /nfs/dbraw/zinc/35/74/40/474357440.db2.gz FWHANVZVSPRBRA-UHFFFAOYSA-N 1 1 339.439 2.700 20 10 EFCDMO CC(C)[N@H+]1CCCN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000265927450 474388596 /nfs/dbraw/zinc/38/85/96/474388596.db2.gz IGCBLYVECQZOCO-UHFFFAOYSA-N 1 1 342.487 2.689 20 10 EFCDMO CCOc1cccc(C[NH+]2CCN(C(=O)c3ccsc3)CC2)c1O ZINC000271110963 474401451 /nfs/dbraw/zinc/40/14/51/474401451.db2.gz DMXPOFNEKDZUMQ-UHFFFAOYSA-N 1 1 346.452 2.810 20 10 EFCDMO Cc1cn[nH]c1C[NH2+]Cc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000289742339 474406827 /nfs/dbraw/zinc/40/68/27/474406827.db2.gz DZVKXVIEZVMMOU-KBPBESRZSA-N 1 1 332.423 2.761 20 10 EFCDMO Cc1c[nH]nc1C[NH2+]Cc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000289742339 474406836 /nfs/dbraw/zinc/40/68/36/474406836.db2.gz DZVKXVIEZVMMOU-KBPBESRZSA-N 1 1 332.423 2.761 20 10 EFCDMO CCN(CC)c1ccc(CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)cc1 ZINC000289880945 474467228 /nfs/dbraw/zinc/46/72/28/474467228.db2.gz PSWYOMGQMPENTR-KRWDZBQOSA-N 1 1 340.471 2.917 20 10 EFCDMO COc1ccccc1S(=O)(=O)CCC[N@@H+](C)Cc1ccccc1O ZINC000184256786 474491274 /nfs/dbraw/zinc/49/12/74/474491274.db2.gz WZONQANWXAGAAB-UHFFFAOYSA-N 1 1 349.452 2.697 20 10 EFCDMO COc1c(O)c(C[N@@H+]2CCCCC[C@H]2C[C@H](C)O)ccc1[N+](=O)[O-] ZINC000289987218 474516725 /nfs/dbraw/zinc/51/67/25/474516725.db2.gz ZZTWCBJUZKUJHN-JSGCOSHPSA-N 1 1 338.404 2.825 20 10 EFCDMO COc1c(O)c(C[N@H+]2CCCCC[C@H]2C[C@H](C)O)ccc1[N+](=O)[O-] ZINC000289987218 474516729 /nfs/dbraw/zinc/51/67/29/474516729.db2.gz ZZTWCBJUZKUJHN-JSGCOSHPSA-N 1 1 338.404 2.825 20 10 EFCDMO CN(C)c1ccc(C[N@@H+](C[C@H]2CCCS(=O)(=O)C2)C2CC2)cc1 ZINC000283999155 474546432 /nfs/dbraw/zinc/54/64/32/474546432.db2.gz GOMFBRCSCXWOSS-MRXNPFEDSA-N 1 1 336.501 2.542 20 10 EFCDMO CC(C)[C@@H](C)NC(=O)C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000241775890 474558666 /nfs/dbraw/zinc/55/86/66/474558666.db2.gz RPYNJRYURCJDMH-NVXWUHKLSA-N 1 1 334.460 2.534 20 10 EFCDMO CC(C)[C@@H](C)NC(=O)C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000241775890 474558673 /nfs/dbraw/zinc/55/86/73/474558673.db2.gz RPYNJRYURCJDMH-NVXWUHKLSA-N 1 1 334.460 2.534 20 10 EFCDMO CC[N@@H+](C)Cc1cccc(CNC(=O)c2c(F)ccc(O)c2O)c1 ZINC000276594632 474566317 /nfs/dbraw/zinc/56/63/17/474566317.db2.gz NMXDPGLDHULCHE-UHFFFAOYSA-N 1 1 332.375 2.619 20 10 EFCDMO C[C@H]([NH2+]C1CCN([C@H]2CCC[C@H]2O)CC1)c1ccc(N(C)C)cc1 ZINC000271508867 474575256 /nfs/dbraw/zinc/57/52/56/474575256.db2.gz NLRXMFDDQMUSDX-RYGJVYDSSA-N 1 1 331.504 2.781 20 10 EFCDMO C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000290563542 474577011 /nfs/dbraw/zinc/57/70/11/474577011.db2.gz SLYMRRFAMWQAKP-MFKMUULPSA-N 1 1 327.812 2.726 20 10 EFCDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000290563542 474577017 /nfs/dbraw/zinc/57/70/17/474577017.db2.gz SLYMRRFAMWQAKP-MFKMUULPSA-N 1 1 327.812 2.726 20 10 EFCDMO C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000290563542 474577019 /nfs/dbraw/zinc/57/70/19/474577019.db2.gz SLYMRRFAMWQAKP-MFKMUULPSA-N 1 1 327.812 2.726 20 10 EFCDMO C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000290563542 474577024 /nfs/dbraw/zinc/57/70/24/474577024.db2.gz SLYMRRFAMWQAKP-MFKMUULPSA-N 1 1 327.812 2.726 20 10 EFCDMO CCCNC(=O)[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000184685734 474582918 /nfs/dbraw/zinc/58/29/18/474582918.db2.gz CDNPIMGRLDYJLB-LBPRGKRZSA-N 1 1 340.851 2.792 20 10 EFCDMO CN(C)c1ccc(CN(C)C(=O)c2cc(C[NH+]3CCCC3)on2)cc1 ZINC000290969922 474587917 /nfs/dbraw/zinc/58/79/17/474587917.db2.gz ONNPLSSPOBGHLY-UHFFFAOYSA-N 1 1 342.443 2.609 20 10 EFCDMO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)c1O ZINC000277823389 474596738 /nfs/dbraw/zinc/59/67/38/474596738.db2.gz RBMVKTQYAJRVTL-BONVTDFDSA-N 1 1 349.324 2.869 20 10 EFCDMO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)c1O ZINC000277823389 474596741 /nfs/dbraw/zinc/59/67/41/474596741.db2.gz RBMVKTQYAJRVTL-BONVTDFDSA-N 1 1 349.324 2.869 20 10 EFCDMO COCCC1(C[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)CCCC1 ZINC000278108117 474601610 /nfs/dbraw/zinc/60/16/10/474601610.db2.gz AVZUXXJATDRWTI-UHFFFAOYSA-N 1 1 338.404 2.996 20 10 EFCDMO COc1c([O-])c(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000278159831 474602560 /nfs/dbraw/zinc/60/25/60/474602560.db2.gz DMCYRZHKIKOYIQ-HNNXBMFYSA-N 1 1 349.431 2.759 20 10 EFCDMO COc1c([O-])c(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000278159831 474602568 /nfs/dbraw/zinc/60/25/68/474602568.db2.gz DMCYRZHKIKOYIQ-HNNXBMFYSA-N 1 1 349.431 2.759 20 10 EFCDMO C[C@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)c1cc(Cl)c(Cl)cc1O ZINC000278271330 474605114 /nfs/dbraw/zinc/60/51/14/474605114.db2.gz PCLPQQGXCJNMNL-IUCAKERBSA-N 1 1 338.256 2.784 20 10 EFCDMO CC(C)(C)c1nc(CN2CC[NH+](Cc3cc(F)ccc3O)CC2)no1 ZINC000272312850 474607671 /nfs/dbraw/zinc/60/76/71/474607671.db2.gz RZJZCIFUHXXGSF-UHFFFAOYSA-N 1 1 348.422 2.530 20 10 EFCDMO Cc1cc(C)c([C@H](C)[NH2+]C[C@H](C(C)C)N2CCN(C)CC2)c(O)c1 ZINC000284279407 474609607 /nfs/dbraw/zinc/60/96/07/474609607.db2.gz XHNXNCSDKMMCCQ-ZWKOTPCHSA-N 1 1 333.520 2.932 20 10 EFCDMO Cc1cc(C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)c(C)n1-c1ccccn1 ZINC000272481247 474612642 /nfs/dbraw/zinc/61/26/42/474612642.db2.gz MCWFSSSIKCBSJX-FUHWJXTLSA-N 1 1 338.455 2.655 20 10 EFCDMO C[N@H+]1CC[C@H]2CCN(Cc3cc(Br)ccc3O)[C@H]2C1 ZINC000272551519 474616474 /nfs/dbraw/zinc/61/64/74/474616474.db2.gz DAAGQNIRDMXMCT-FZMZJTMJSA-N 1 1 325.250 2.681 20 10 EFCDMO C[C@H]([NH2+]CCCS(C)(=O)=O)c1cc(Cl)c(Cl)cc1O ZINC000278358596 474620968 /nfs/dbraw/zinc/62/09/68/474620968.db2.gz BFFMYORFNSQEQE-QMMMGPOBSA-N 1 1 326.245 2.784 20 10 EFCDMO COc1c(O)c(C[NH2+]CCc2ccc(F)c(F)c2)ccc1[N+](=O)[O-] ZINC000278388077 474630533 /nfs/dbraw/zinc/63/05/33/474630533.db2.gz MLNNOFZSFLQBAL-UHFFFAOYSA-N 1 1 338.310 2.920 20 10 EFCDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)c1 ZINC000278424417 474641101 /nfs/dbraw/zinc/64/11/01/474641101.db2.gz SAVZKVDFRJIECH-NHYWBVRUSA-N 1 1 333.350 2.926 20 10 EFCDMO COc1c(O)c(C[NH2+][C@@H](C)Cc2c(C)noc2C)ccc1[N+](=O)[O-] ZINC000278471483 474652992 /nfs/dbraw/zinc/65/29/92/474652992.db2.gz HHYPPOFIBZDINO-VIFPVBQESA-N 1 1 335.360 2.635 20 10 EFCDMO COc1c(O)c(C[NH2+]C[C@H](C)Oc2ccccc2)ccc1[N+](=O)[O-] ZINC000278468578 474653511 /nfs/dbraw/zinc/65/35/11/474653511.db2.gz GTBIHXOTMUVFQC-LBPRGKRZSA-N 1 1 332.356 2.866 20 10 EFCDMO CCCC(O)(CCC)C[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278481582 474656729 /nfs/dbraw/zinc/65/67/29/474656729.db2.gz JKOBAOBWUBIYNR-UHFFFAOYSA-N 1 1 326.393 2.730 20 10 EFCDMO COc1c(O)c(C[NH2+][C@H]2C[C@@H](OC(C)C)C2(C)C)ccc1[N+](=O)[O-] ZINC000278498003 474663166 /nfs/dbraw/zinc/66/31/66/474663166.db2.gz NARFQDYLXJZBTP-UONOGXRCSA-N 1 1 338.404 2.991 20 10 EFCDMO COc1c(O)c(C[NH2+]CCOCc2ccccc2)ccc1[N+](=O)[O-] ZINC000278523609 474681129 /nfs/dbraw/zinc/68/11/29/474681129.db2.gz SOEHMBHJQLQRPL-UHFFFAOYSA-N 1 1 332.356 2.615 20 10 EFCDMO CS(=O)(=O)C[C@H]1CC[N@@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000292885788 474695553 /nfs/dbraw/zinc/69/55/53/474695553.db2.gz YHRUBHFJKLMYGM-HNNXBMFYSA-N 1 1 345.464 2.926 20 10 EFCDMO CCCOc1ccc(C[NH2+][C@H]2CS(=O)(=O)c3ccccc32)c(O)c1 ZINC000267907882 474703662 /nfs/dbraw/zinc/70/36/62/474703662.db2.gz BVHOTSMZEZYBRS-INIZCTEOSA-N 1 1 347.436 2.799 20 10 EFCDMO C[N@@H+](CCC(=O)c1ccc2c(c1)OCCO2)Cc1ccccc1O ZINC000278584680 474719137 /nfs/dbraw/zinc/71/91/37/474719137.db2.gz YMRSGEYCZMLHHS-UHFFFAOYSA-N 1 1 327.380 2.868 20 10 EFCDMO C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(F)c(F)c1[O-] ZINC000278648913 474754931 /nfs/dbraw/zinc/75/49/31/474754931.db2.gz SPMNZZIDMDHAQZ-OLZOCXBDSA-N 1 1 328.403 2.822 20 10 EFCDMO C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc(F)c(F)c1[O-] ZINC000278648913 474754936 /nfs/dbraw/zinc/75/49/36/474754936.db2.gz SPMNZZIDMDHAQZ-OLZOCXBDSA-N 1 1 328.403 2.822 20 10 EFCDMO CCN(CC)c1ccc(CNC(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000291938985 474763243 /nfs/dbraw/zinc/76/32/43/474763243.db2.gz MSLHSOBLQCSZBG-FQEVSTJZSA-N 1 1 344.503 2.770 20 10 EFCDMO CCCOc1ccc(C[N@H+]2CCCC[C@H](S(C)(=O)=O)C2)c(O)c1 ZINC000278674418 474769559 /nfs/dbraw/zinc/76/95/59/474769559.db2.gz LTZWCTCYSIVLAU-INIZCTEOSA-N 1 1 341.473 2.580 20 10 EFCDMO C[C@@H]([NH2+][C@@H](CO)c1cnn(C)c1)c1cc(Cl)c(Cl)cc1O ZINC000278675525 474769918 /nfs/dbraw/zinc/76/99/18/474769918.db2.gz JMTCZLAHIYTGOB-OQPBUACISA-N 1 1 330.215 2.817 20 10 EFCDMO CCCN(Cc1ccccc1O)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000268113588 474805113 /nfs/dbraw/zinc/80/51/13/474805113.db2.gz DCGGEVNBAGTGBW-YOEHRIQHSA-N 1 1 331.460 2.797 20 10 EFCDMO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)nc1)c1ccc(F)cc1O ZINC000273364783 474861217 /nfs/dbraw/zinc/86/12/17/474861217.db2.gz DTZARQZQDJRMDA-ZDUSSCGKSA-N 1 1 331.391 2.614 20 10 EFCDMO CC[C@@H]1CCCCN1CC[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278870713 474884150 /nfs/dbraw/zinc/88/41/50/474884150.db2.gz MWACHWDEFJLGPE-CQSZACIVSA-N 1 1 337.420 2.663 20 10 EFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@H](O)c2ccccc2F)c1 ZINC000273415992 474886085 /nfs/dbraw/zinc/88/60/85/474886085.db2.gz QYUYQRDRTCDSKA-GTNSWQLSSA-N 1 1 333.359 2.702 20 10 EFCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)c2ccccc2F)c1 ZINC000273415996 474887588 /nfs/dbraw/zinc/88/75/88/474887588.db2.gz QYUYQRDRTCDSKA-PIGZYNQJSA-N 1 1 333.359 2.702 20 10 EFCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@H]2CCCc3c2cnn3C)c1 ZINC000273424963 474891656 /nfs/dbraw/zinc/89/16/56/474891656.db2.gz TUKMIQAIAXHFOI-ABAIWWIYSA-N 1 1 329.400 2.641 20 10 EFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCc3c2cnn3C)c1 ZINC000273424966 474891981 /nfs/dbraw/zinc/89/19/81/474891981.db2.gz TUKMIQAIAXHFOI-XHDPSFHLSA-N 1 1 329.400 2.641 20 10 EFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H]2CCCc3c2cnn3C)c1 ZINC000273424965 474892652 /nfs/dbraw/zinc/89/26/52/474892652.db2.gz TUKMIQAIAXHFOI-NHYWBVRUSA-N 1 1 329.400 2.641 20 10 EFCDMO C[C@@H]([NH2+][C@@H]1CCCN(Cc2ccccn2)C1=O)c1ccc(F)cc1O ZINC000273465739 474913300 /nfs/dbraw/zinc/91/33/00/474913300.db2.gz RCPIQUMVMCNDPV-CXAGYDPISA-N 1 1 343.402 2.768 20 10 EFCDMO C[C@H]([NH2+][C@@H]1CCCN(Cc2ccccn2)C1=O)c1ccc(F)cc1O ZINC000273465747 474913330 /nfs/dbraw/zinc/91/33/30/474913330.db2.gz RCPIQUMVMCNDPV-SUMWQHHRSA-N 1 1 343.402 2.768 20 10 EFCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@](C)(O)c2ccsc2)c1 ZINC000273469185 474914478 /nfs/dbraw/zinc/91/44/78/474914478.db2.gz FISGGTBITGMOFG-DIFFPNOSSA-N 1 1 335.425 2.799 20 10 EFCDMO COC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000285208728 474929636 /nfs/dbraw/zinc/92/96/36/474929636.db2.gz WVXNSNHLQFNXMI-HNNXBMFYSA-N 1 1 331.334 2.936 20 10 EFCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@H](CO)Cc2ccc(F)cc2)c1 ZINC000273500903 474932633 /nfs/dbraw/zinc/93/26/33/474932633.db2.gz QAWVTXHORCUFMC-WBMJQRKESA-N 1 1 347.386 2.572 20 10 EFCDMO CCOc1ccccc1C[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278952007 474938366 /nfs/dbraw/zinc/93/83/66/474938366.db2.gz ZPJKHSNPCAEKJS-UHFFFAOYSA-N 1 1 332.356 2.998 20 10 EFCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@](C)(O)c2ccc(F)cc2)c1 ZINC000273525983 474944929 /nfs/dbraw/zinc/94/49/29/474944929.db2.gz VGRAXNJBCDPHNJ-BLVKFPJESA-N 1 1 347.386 2.876 20 10 EFCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@@H](CCO)c2ccccc2)c1 ZINC000273566827 474966683 /nfs/dbraw/zinc/96/66/83/474966683.db2.gz JSYMHXAOQLOTDQ-RHSMWYFYSA-N 1 1 343.423 2.996 20 10 EFCDMO CC(C)n1nccc1C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000279521268 474979111 /nfs/dbraw/zinc/97/91/11/474979111.db2.gz BEOCKSPIHLPLPD-UHFFFAOYSA-N 1 1 328.460 2.933 20 10 EFCDMO CC(C)n1nccc1C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000279521268 474979117 /nfs/dbraw/zinc/97/91/17/474979117.db2.gz BEOCKSPIHLPLPD-UHFFFAOYSA-N 1 1 328.460 2.933 20 10 EFCDMO C[C@H]1C[N@H+](Cc2cc(Br)ccc2O)C[C@@]2(CCOC2)O1 ZINC000279625284 474984175 /nfs/dbraw/zinc/98/41/75/474984175.db2.gz ABFHENVOVGAUJU-XHDPSFHLSA-N 1 1 342.233 2.535 20 10 EFCDMO C[C@H]1C[N@@H+](Cc2cc(Br)ccc2O)C[C@@]2(CCOC2)O1 ZINC000279625284 474984185 /nfs/dbraw/zinc/98/41/85/474984185.db2.gz ABFHENVOVGAUJU-XHDPSFHLSA-N 1 1 342.233 2.535 20 10 EFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])c1 ZINC000273602653 474984946 /nfs/dbraw/zinc/98/49/46/474984946.db2.gz SGIUPZVVSASJOE-LBPRGKRZSA-N 1 1 344.367 2.980 20 10 EFCDMO COc1cc(N2CC[NH+](CCC(F)(F)F)CC2)cc(OC)c1OC ZINC000273616768 474993091 /nfs/dbraw/zinc/99/30/91/474993091.db2.gz PPJHBCUALFLEIW-UHFFFAOYSA-N 1 1 348.365 2.787 20 10 EFCDMO CN(C)c1ccc(C[N@H+]2CCC[C@H](CC(N)=O)C2)c(C(F)(F)F)c1 ZINC000280300103 475019195 /nfs/dbraw/zinc/01/91/95/475019195.db2.gz PMBVGESVPKMAKI-GFCCVEGCSA-N 1 1 343.393 2.859 20 10 EFCDMO CNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000280347339 475020388 /nfs/dbraw/zinc/02/03/88/475020388.db2.gz SXCSHPXUAXBZPP-ZDUSSCGKSA-N 1 1 343.393 2.729 20 10 EFCDMO CCOCc1cc(C[NH2+][C@H](c2nncn2C)C(C)C)ccc1OC ZINC000285610589 475033485 /nfs/dbraw/zinc/03/34/85/475033485.db2.gz VTVVINPFDVSZII-KRWDZBQOSA-N 1 1 332.448 2.847 20 10 EFCDMO C[C@H](N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(N2CCOCC2)c(F)c1 ZINC000268780996 475042553 /nfs/dbraw/zinc/04/25/53/475042553.db2.gz PTLAEUCFCQHRSE-QSFXBCCZSA-N 1 1 347.478 2.940 20 10 EFCDMO C[C@H]([NH2+][C@H]1CCN2CCCC[C@@H]12)c1ccc(N2CCOCC2)c(F)c1 ZINC000268780996 475042561 /nfs/dbraw/zinc/04/25/61/475042561.db2.gz PTLAEUCFCQHRSE-QSFXBCCZSA-N 1 1 347.478 2.940 20 10 EFCDMO COc1cc(O)c(C[N@H+]2CC3(CCOCC3)[C@H]2C2CC2)cc1OC ZINC000293667561 475047075 /nfs/dbraw/zinc/04/70/75/475047075.db2.gz OLWPBVDQFXWKGE-GOSISDBHSA-N 1 1 333.428 2.800 20 10 EFCDMO O=C(NC1CC1)N[C@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000273768529 475048959 /nfs/dbraw/zinc/04/89/59/475048959.db2.gz QLSGTPQAOSJMLE-SFHVURJKSA-N 1 1 342.487 2.713 20 10 EFCDMO CC[C@@H]([NH2+]CCCOCCOCCOC)c1ccc(F)cc1O ZINC000286056721 475051270 /nfs/dbraw/zinc/05/12/70/475051270.db2.gz KLFIQCWPRIZIPM-MRXNPFEDSA-N 1 1 329.412 2.642 20 10 EFCDMO CC[C@@H]([NH2+]C1CCN(C(=O)CCOC)CC1)c1ccc(F)cc1O ZINC000286147843 475054305 /nfs/dbraw/zinc/05/43/05/475054305.db2.gz OTFFPBXDFJLDOQ-MRXNPFEDSA-N 1 1 338.423 2.600 20 10 EFCDMO CC[C@H]([NH2+]C1CCN(C(=O)CCOC)CC1)c1ccc(F)cc1O ZINC000286147839 475054535 /nfs/dbraw/zinc/05/45/35/475054535.db2.gz OTFFPBXDFJLDOQ-INIZCTEOSA-N 1 1 338.423 2.600 20 10 EFCDMO CNC(=O)[C@@]1(C)CC[N@@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000280897888 475055685 /nfs/dbraw/zinc/05/56/85/475055685.db2.gz FARRSCSDDLMWLT-INIZCTEOSA-N 1 1 343.393 2.729 20 10 EFCDMO CNC(=O)[C@]1(C)CC[N@@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000280897895 475056473 /nfs/dbraw/zinc/05/64/73/475056473.db2.gz FARRSCSDDLMWLT-MRXNPFEDSA-N 1 1 343.393 2.729 20 10 EFCDMO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)[N@H+]2Cc2ccc(N(C)C)c(C)c2)O1 ZINC000294307853 475065722 /nfs/dbraw/zinc/06/57/22/475065722.db2.gz XHAHCNZEMULSNW-VLQPXKRTSA-N 1 1 346.471 2.744 20 10 EFCDMO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000294905862 475090834 /nfs/dbraw/zinc/09/08/34/475090834.db2.gz XQFXFHQCUHCMKT-QWHCGFSZSA-N 1 1 330.815 2.827 20 10 EFCDMO CN(C)c1ccc(C[N@@H+](C[C@H](O)COCC(F)(F)F)C2CC2)cc1 ZINC000292576320 475095686 /nfs/dbraw/zinc/09/56/86/475095686.db2.gz ZBUWWVMHIVJRKU-INIZCTEOSA-N 1 1 346.393 2.657 20 10 EFCDMO COC[C@]1(C(=O)OC)CC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000295006870 475096786 /nfs/dbraw/zinc/09/67/86/475096786.db2.gz JCDWJBFLNPLNLX-IBGZPJMESA-N 1 1 329.396 2.557 20 10 EFCDMO COC[C@@]1(C(=O)OC)CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000295044509 475100387 /nfs/dbraw/zinc/10/03/87/475100387.db2.gz MWDURCIHIWWIAF-HXUWFJFHSA-N 1 1 346.471 2.688 20 10 EFCDMO COc1cccc(C[N@@H+](C)C2CC(NC(=O)OC(C)(C)C)C2)c1O ZINC000295062609 475100602 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Cc1cc(C(=O)C[N@H+]2CCC[C@H]2CO)c(C)n1-c1cccc(F)c1 ZINC000754651224 575466658 /nfs/dbraw/zinc/46/66/58/575466658.db2.gz JAPFDOWEXPYZFB-KRWDZBQOSA-N 1 1 330.403 2.873 20 10 EFCDMO COc1cc(C[N@H+]2CCC[C@@H]2C(=O)NC2CC2)c(O)c(C(C)(C)C)c1 ZINC000754720073 575476998 /nfs/dbraw/zinc/47/69/98/575476998.db2.gz JFQHALJHEGZMIS-QGZVFWFLSA-N 1 1 346.471 2.941 20 10 EFCDMO c1cc(N2CCSCC2)ccc1CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000754784652 575489724 /nfs/dbraw/zinc/48/97/24/575489724.db2.gz IGVRKYDCUPIOFP-HKUYNNGSSA-N 1 1 331.529 2.956 20 10 EFCDMO c1cc(N2CCSCC2)ccc1CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000754784652 575489727 /nfs/dbraw/zinc/48/97/27/575489727.db2.gz IGVRKYDCUPIOFP-HKUYNNGSSA-N 1 1 331.529 2.956 20 10 EFCDMO CCOc1ncccc1C[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O ZINC000756393957 575729833 /nfs/dbraw/zinc/72/98/33/575729833.db2.gz UNCANPQGMGPTDY-LBPRGKRZSA-N 1 1 330.384 2.823 20 10 EFCDMO C[C@H]1C[C@H]([NH2+]Cc2nnnn2-c2ccccc2)c2c1c(F)ccc2O ZINC000756491156 575747950 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CCC[C@@H]1CN(Cc2c(O)ccc3ccncc32)CC[N@H+]1CCOC ZINC000766373107 577141146 /nfs/dbraw/zinc/14/11/46/577141146.db2.gz FCCZVGGZJAVJDO-QGZVFWFLSA-N 1 1 343.471 2.873 20 10 EFCDMO COc1ccc([N@H+](CC(C)C)CC2CCS(=O)(=O)CC2)cc1 ZINC000767422252 577207837 /nfs/dbraw/zinc/20/78/37/577207837.db2.gz PUDKVNGHEYYIKD-UHFFFAOYSA-N 1 1 325.474 2.982 20 10 EFCDMO COc1ccc([N@@H+](CC(C)C)CC2CCS(=O)(=O)CC2)cc1 ZINC000767422252 577207838 /nfs/dbraw/zinc/20/78/38/577207838.db2.gz PUDKVNGHEYYIKD-UHFFFAOYSA-N 1 1 325.474 2.982 20 10 EFCDMO O=[N+]([O-])c1cc(Cl)cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1[O-] ZINC000725845712 577246728 /nfs/dbraw/zinc/24/67/28/577246728.db2.gz IGFBDHCUCFZVAP-OLZOCXBDSA-N 1 1 325.796 2.670 20 10 EFCDMO O=[N+]([O-])c1cc(Cl)cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1[O-] ZINC000725845713 577246751 /nfs/dbraw/zinc/24/67/51/577246751.db2.gz IGFBDHCUCFZVAP-QWHCGFSZSA-N 1 1 325.796 2.670 20 10 EFCDMO Oc1cc2c(cc1C[N@H+]1CCC[C@H](OCC(F)(F)F)C1)OCO2 ZINC000725846779 577247298 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Oc1cc2c(cc1C[N@H+]1CCC[C@@H]1CN1CCOCC1)CCCC2 ZINC000768466572 577276462 /nfs/dbraw/zinc/27/64/62/577276462.db2.gz SBOYSIIMZKRUMI-LJQANCHMSA-N 1 1 330.472 2.568 20 10 EFCDMO COc1cc(O)c(CN2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc1OC ZINC000768467116 577276479 /nfs/dbraw/zinc/27/64/79/577276479.db2.gz ZDWPPJXBGKKVEV-OAHLLOKOSA-N 1 1 334.460 2.573 20 10 EFCDMO C[N@H+](Cc1ccccc1O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000768872257 577312221 /nfs/dbraw/zinc/31/22/21/577312221.db2.gz GKRKXFKZCCZPTR-UHFFFAOYSA-N 1 1 330.340 2.704 20 10 EFCDMO C[N@@H+](Cc1ccccc1O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000768872257 577312223 /nfs/dbraw/zinc/31/22/23/577312223.db2.gz GKRKXFKZCCZPTR-UHFFFAOYSA-N 1 1 330.340 2.704 20 10 EFCDMO CCC[N@H+](CC(=O)NC)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000768997158 577323087 /nfs/dbraw/zinc/32/30/87/577323087.db2.gz CVDUCOMLNIUKOU-UHFFFAOYSA-N 1 1 348.447 2.543 20 10 EFCDMO CCC[N@@H+](CC(=O)NC)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000768997158 577323088 /nfs/dbraw/zinc/32/30/88/577323088.db2.gz CVDUCOMLNIUKOU-UHFFFAOYSA-N 1 1 348.447 2.543 20 10 EFCDMO CCOc1cccc(C[NH+]2CCN(Cc3cscn3)CC2)c1O ZINC000769019338 577324609 /nfs/dbraw/zinc/32/46/09/577324609.db2.gz FFPSYVFLZWQRPL-UHFFFAOYSA-N 1 1 333.457 2.565 20 10 EFCDMO CC[N@@H+](CCc1ccccn1)Cc1ccc(N2CCOCC2)cc1 ZINC000769033676 577325897 /nfs/dbraw/zinc/32/58/97/577325897.db2.gz LVDFSFDWHHBBGH-UHFFFAOYSA-N 1 1 325.456 2.983 20 10 EFCDMO C[C@@H]1CN(C[C@H]2CCC[N@H+]2Cc2ccc(N(C)C)c(F)c2)C[C@H](C)O1 ZINC000769108129 577334789 /nfs/dbraw/zinc/33/47/89/577334789.db2.gz LMACCHNPNDYWFH-SOLBZPMBSA-N 1 1 349.494 2.965 20 10 EFCDMO C[C@@H]1C[N@@H+](C[C@H]2CCCN2Cc2ccc(N(C)C)c(F)c2)C[C@H](C)O1 ZINC000769108129 577334790 /nfs/dbraw/zinc/33/47/90/577334790.db2.gz LMACCHNPNDYWFH-SOLBZPMBSA-N 1 1 349.494 2.965 20 10 EFCDMO C[C@@H]1C[N@H+](C[C@H]2CCCN2Cc2ccc(N(C)C)c(F)c2)C[C@H](C)O1 ZINC000769108129 577334791 /nfs/dbraw/zinc/33/47/91/577334791.db2.gz LMACCHNPNDYWFH-SOLBZPMBSA-N 1 1 349.494 2.965 20 10 EFCDMO CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(OCC)cc2O)C1 ZINC000769205154 577344285 /nfs/dbraw/zinc/34/42/85/577344285.db2.gz DPYPMUMTCHVFMZ-HNNXBMFYSA-N 1 1 334.460 2.919 20 10 EFCDMO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2c(O)cccc2OC)C1 ZINC000769209852 577344751 /nfs/dbraw/zinc/34/47/51/577344751.db2.gz NOPCZUCWEWWHOY-HUUCEWRRSA-N 1 1 334.460 2.918 20 10 EFCDMO CC[N@@H+](Cc1ccc(OCC(N)=O)cc1)Cc1ccc(N(C)C)cc1 ZINC000726066481 577347801 /nfs/dbraw/zinc/34/78/01/577347801.db2.gz DCXLATJMTJLYMM-UHFFFAOYSA-N 1 1 341.455 2.639 20 10 EFCDMO CC[N@H+]1CCN(Cc2cc(Br)cc(OC)c2O)C[C@H]1C ZINC000769381202 577357203 /nfs/dbraw/zinc/35/72/03/577357203.db2.gz MEXZNTAWYMMICU-LLVKDONJSA-N 1 1 343.265 2.689 20 10 EFCDMO COc1cc(Br)cc(C[N@@H+](CCCO)C2CC2)c1O ZINC000769404712 577359865 /nfs/dbraw/zinc/35/98/65/577359865.db2.gz OJUURDKQIRBFKG-UHFFFAOYSA-N 1 1 330.222 2.510 20 10 EFCDMO Fc1cc(C[N@H+]2CC[C@@H]([C@@H]3CCOC3)C2)ccc1N1CCOCC1 ZINC000769515453 577369321 /nfs/dbraw/zinc/36/93/21/577369321.db2.gz QSQZDZOVTQRJHA-IAGOWNOFSA-N 1 1 334.435 2.521 20 10 EFCDMO C[C@@H]([NH2+]Cc1nnnn1CC1CC1)c1cc2c(cc1O)CCCC2 ZINC000769986267 577396641 /nfs/dbraw/zinc/39/66/41/577396641.db2.gz HRBVWUBULUXTDL-GFCCVEGCSA-N 1 1 327.432 2.518 20 10 EFCDMO CCC[C@@H]1CN(Cc2cc(Cl)ccc2O)CC[N@H+]1CCOC ZINC000770283699 577409893 /nfs/dbraw/zinc/40/98/93/577409893.db2.gz KNONUVNZLOCXJS-MRXNPFEDSA-N 1 1 326.868 2.978 20 10 EFCDMO CCN(CC)c1ccc(CNc2nc(N3CCOCC3)cc[nH+]2)cc1 ZINC000770444190 577418622 /nfs/dbraw/zinc/41/86/22/577418622.db2.gz HVWQPJGRFJYVOC-UHFFFAOYSA-N 1 1 341.459 2.772 20 10 EFCDMO Cn1c[nH+]c2cc(NCc3cccc(NS(C)(=O)=O)c3)ccc21 ZINC000770588803 581113715 /nfs/dbraw/zinc/11/37/15/581113715.db2.gz NNXDRYYVGKWGRX-UHFFFAOYSA-N 1 1 330.413 2.557 20 10 EFCDMO Cn1ccc(C(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)c1 ZINC000771055772 581169526 /nfs/dbraw/zinc/16/95/26/581169526.db2.gz FAOVGJJCRWPAIB-INIZCTEOSA-N 1 1 347.846 2.779 20 10 EFCDMO COC(=O)C(C)(C)[C@H]1CCC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000771627719 581228392 /nfs/dbraw/zinc/22/83/92/581228392.db2.gz QAHVZZCDRRBXAB-ZDUSSCGKSA-N 1 1 335.400 2.532 20 10 EFCDMO CC[C@H]([NH2+]Cc1ccc(N2CCN(C)CC2)cc1)C1CCOCC1 ZINC000771840857 581249236 /nfs/dbraw/zinc/24/92/36/581249236.db2.gz AHIBYXOXPAEAIA-FQEVSTJZSA-N 1 1 331.504 2.733 20 10 EFCDMO CN(C)c1ccccc1C[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000771841797 581249497 /nfs/dbraw/zinc/24/94/97/581249497.db2.gz LEZMDWIRJJCPQN-UHFFFAOYSA-N 1 1 338.499 2.794 20 10 EFCDMO CO[C@]1(C)C[C@@H]([NH2+]Cc2ccc(N3CCN(C)CC3)cc2)C1(C)C ZINC000771841078 581249699 /nfs/dbraw/zinc/24/96/99/581249699.db2.gz DEQWKVOHURPVPN-UYAOXDASSA-N 1 1 331.504 2.732 20 10 EFCDMO CN1CCN(c2ccc(C[NH2+][C@@H]3[C@@H]4CCCO[C@H]4C3(C)C)cc2)CC1 ZINC000771844315 581249824 /nfs/dbraw/zinc/24/98/24/581249824.db2.gz YMIHVHKILHODHJ-XUVXKRRUSA-N 1 1 343.515 2.732 20 10 EFCDMO C[C@H](C[C@H](O)c1ccco1)[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000771864197 581252160 /nfs/dbraw/zinc/25/21/60/581252160.db2.gz KIAAKVGCBMBWMP-APWZRJJASA-N 1 1 343.471 2.633 20 10 EFCDMO CC(C)[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCN(C)CC3)cc2)CCO1 ZINC000771888372 581255224 /nfs/dbraw/zinc/25/52/24/581255224.db2.gz OLQHXRCCKZCPBX-QUCCMNQESA-N 1 1 331.504 2.732 20 10 EFCDMO CC[N@H+]1CCCC[C@H]1CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773293837 581415010 /nfs/dbraw/zinc/41/50/10/581415010.db2.gz AFAIBQCAXZTEGO-QAPCUYQASA-N 1 1 332.492 2.987 20 10 EFCDMO C[C@@H](NC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)c1ccc(N(C)C)cc1 ZINC000773314605 581417262 /nfs/dbraw/zinc/41/72/62/581417262.db2.gz KMAYBVYSBGUDQC-RHSMWYFYSA-N 1 1 330.476 2.597 20 10 EFCDMO CC(C)[N@H+]1CC[C@H](CNC(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1 ZINC000773369721 581424022 /nfs/dbraw/zinc/42/40/22/581424022.db2.gz XLYVQDSWJZVKEK-HZPDHXFCSA-N 1 1 332.492 2.843 20 10 EFCDMO Oc1c(Br)cccc1C[NH2+]C[C@H]1COC2(CCCC2)O1 ZINC000773413377 581428153 /nfs/dbraw/zinc/42/81/53/581428153.db2.gz FMNMVFQEDAVRJH-LBPRGKRZSA-N 1 1 342.233 2.930 20 10 EFCDMO CC[N@H+]1CCC[C@H](CNC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000773610667 581450337 /nfs/dbraw/zinc/45/03/37/581450337.db2.gz FLWFQNRJVYBYEN-JKSUJKDBSA-N 1 1 332.492 2.845 20 10 EFCDMO CC[N@H+]1CCC[C@H](CNC(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1 ZINC000773610663 581450361 /nfs/dbraw/zinc/45/03/61/581450361.db2.gz FLWFQNRJVYBYEN-HZPDHXFCSA-N 1 1 332.492 2.845 20 10 EFCDMO CCN(C)c1ccc(C[N@@H+](CCC(=O)OC)C[C@H]2CCCO2)cc1 ZINC000773751652 581461474 /nfs/dbraw/zinc/46/14/74/581461474.db2.gz GDTHSKUDMUCKII-GOSISDBHSA-N 1 1 334.460 2.687 20 10 EFCDMO COC[C@H](C)OC[C@@H](O)C[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000773758745 581462428 /nfs/dbraw/zinc/46/24/28/581462428.db2.gz XSUXDUBAQHFHLE-YJBOKZPZSA-N 1 1 337.460 2.549 20 10 EFCDMO CCN(C)c1ccc(C[N@H+]2CCC[C@H]2C[C@H](O)c2cnn(C)c2)cc1 ZINC000773824992 581466289 /nfs/dbraw/zinc/46/62/89/581466289.db2.gz WBMCDUXJDWYGBC-PMACEKPBSA-N 1 1 342.487 2.964 20 10 EFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCCCN2C2CC2)c1 ZINC000774377294 581490500 /nfs/dbraw/zinc/49/05/00/581490500.db2.gz FISRQPLXIHNUQY-BBRMVZONSA-N 1 1 332.444 2.846 20 10 EFCDMO COc1c(O)c(C[NH2+]C[C@@H](C)N2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000774965520 581505373 /nfs/dbraw/zinc/50/53/73/581505373.db2.gz ZUVLAHCZUIJBNP-CHWSQXEVSA-N 1 1 337.420 2.662 20 10 EFCDMO CC(C)=CCN1CC[C@]2(CC[N@@H+](Cc3cc(F)ccc3O)C2)C1=O ZINC001273284161 1265475696 /nfs/dbraw/zinc/47/56/96/1265475696.db2.gz FYNUXDWBIFUOOM-IBGZPJMESA-N 1 1 332.419 2.922 20 10 EFCDMO O=C1N(CC(F)(F)F)CC[C@@]12CC[N@H+](Cc1cc(F)ccc1O)C2 ZINC001273283896 1265475985 /nfs/dbraw/zinc/47/59/85/1265475985.db2.gz BMUAKAJAHVISAX-OAHLLOKOSA-N 1 1 346.324 2.518 20 10 EFCDMO COc1cc(C[NH2+][C@H](C)c2nnnn2C2CC2)c(O)c(C(C)(C)C)c1 ZINC000850276926 1250391510 /nfs/dbraw/zinc/39/15/10/1250391510.db2.gz SPARHHBNIXHKKZ-LLVKDONJSA-N 1 1 345.447 2.871 20 10 EFCDMO C[NH+]1CCN(c2ccc(CNCc3cccnc3Cl)cc2)CC1 ZINC000850352217 1250446455 /nfs/dbraw/zinc/44/64/55/1250446455.db2.gz OYFYLCHDNMBFTM-UHFFFAOYSA-N 1 1 330.863 2.777 20 10 EFCDMO CCn1cc(C[NH2+][C@H](C)c2cc(Br)ccc2O)nn1 ZINC000850522182 1250520731 /nfs/dbraw/zinc/52/07/31/1250520731.db2.gz HAPHOTFOIYGXER-SECBINFHSA-N 1 1 325.210 2.617 20 10 EFCDMO Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2nc(C(N)=O)cs2)c1O ZINC000850540988 1250527890 /nfs/dbraw/zinc/52/78/90/1250527890.db2.gz RFXXOHNXTLAFKU-MRVPVSSYSA-N 1 1 325.821 2.760 20 10 EFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2COc3cc(F)ccc3C2)c1 ZINC000850537180 1250527986 /nfs/dbraw/zinc/52/79/86/1250527986.db2.gz NKKQQRVCTCBFTJ-NHYWBVRUSA-N 1 1 345.370 2.972 20 10 EFCDMO C[C@H]([NH2+]CC(C)(C)[C@]1(O)CCCOC1)c1cc(F)cc(F)c1O ZINC000850560288 1250537994 /nfs/dbraw/zinc/53/79/94/1250537994.db2.gz CWKGUXYTFODILM-GTNSWQLSSA-N 1 1 329.387 2.889 20 10 EFCDMO C[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c2nccn21 ZINC000850568396 1250540569 /nfs/dbraw/zinc/54/05/69/1250540569.db2.gz WVZNHSUBLGEVTA-KSSFIOAISA-N 1 1 326.444 2.640 20 10 EFCDMO C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c2nccn21 ZINC000850568394 1250541443 /nfs/dbraw/zinc/54/14/43/1250541443.db2.gz WVZNHSUBLGEVTA-KBXCAEBGSA-N 1 1 326.444 2.640 20 10 EFCDMO COc1ccc(N2CCC[N@@H+](CC[C@H]3COC(C)(C)O3)CC2)cc1 ZINC000851733552 1251229794 /nfs/dbraw/zinc/22/97/94/1251229794.db2.gz ZHIQYVKVLKGEMX-SFHVURJKSA-N 1 1 334.460 2.749 20 10 EFCDMO CC[C@H](C)N1C(=O)C[C@]2(CCC[N@H+](Cc3cccc(F)c3O)C2)C1=O ZINC001273303270 1266022584 /nfs/dbraw/zinc/02/25/84/1266022584.db2.gz KWZNKLSKUWXAGC-DJJJIMSYSA-N 1 1 348.418 2.671 20 10 EFCDMO CC[C@H](C)N1C(=O)C[C@]2(CCC[N@@H+](Cc3cccc(F)c3O)C2)C1=O ZINC001273303270 1266022597 /nfs/dbraw/zinc/02/25/97/1266022597.db2.gz KWZNKLSKUWXAGC-DJJJIMSYSA-N 1 1 348.418 2.671 20 10 EFCDMO CC(C)CN1C(=O)C[C@]2(CCC[N@H+](Cc3cccc(F)c3O)C2)C1=O ZINC001273303406 1266025973 /nfs/dbraw/zinc/02/59/73/1266025973.db2.gz ACYPALGDGAMZQG-IBGZPJMESA-N 1 1 348.418 2.528 20 10 EFCDMO CC(C)CN1C(=O)C[C@]2(CCC[N@@H+](Cc3cccc(F)c3O)C2)C1=O ZINC001273303406 1266025985 /nfs/dbraw/zinc/02/59/85/1266025985.db2.gz ACYPALGDGAMZQG-IBGZPJMESA-N 1 1 348.418 2.528 20 10 EFCDMO O=C1N(CC(F)F)CCC12CC[NH+](Cc1cccc(F)c1O)CC2 ZINC001273304756 1266111443 /nfs/dbraw/zinc/11/14/43/1266111443.db2.gz QIMLXPRGVAIYOU-UHFFFAOYSA-N 1 1 342.361 2.611 20 10 EFCDMO O=C1N(C2CCCC2)CC[C@@]12CC[N@@H+](Cc1cccc(F)c1O)C2 ZINC001273304937 1266113340 /nfs/dbraw/zinc/11/33/40/1266113340.db2.gz VDBCEFDFTXOXPY-LJQANCHMSA-N 1 1 332.419 2.898 20 10 EFCDMO O=C1N(C2CCCC2)CC[C@@]12CC[N@H+](Cc1cccc(F)c1O)C2 ZINC001273304937 1266113346 /nfs/dbraw/zinc/11/33/46/1266113346.db2.gz VDBCEFDFTXOXPY-LJQANCHMSA-N 1 1 332.419 2.898 20 10 EFCDMO COc1ccc(N2CC[NH+](C[C@H](C)NC(=O)OC(C)(C)C)CC2)cc1 ZINC000785439683 1257627651 /nfs/dbraw/zinc/62/76/51/1257627651.db2.gz QAVOXAUDPVIHJO-HNNXBMFYSA-N 1 1 349.475 2.730 20 10 EFCDMO CC[C@H](C)N1C[C@]2(CC1=O)COCC[N@@H+](Cc1ccc(C)cc1O)C2 ZINC001272764665 1257676960 /nfs/dbraw/zinc/67/69/60/1257676960.db2.gz CRBPMUBCSNWSGB-OXJNMPFZSA-N 1 1 346.471 2.550 20 10 EFCDMO COC(C)(C)CN1CC[C@@]2(CC[N@@H+](Cc3ccc(C)cc3O)C2)C1=O ZINC001272765348 1257683494 /nfs/dbraw/zinc/68/34/94/1257683494.db2.gz HKNFQHYFQZNDCU-HXUWFJFHSA-N 1 1 346.471 2.550 20 10 EFCDMO COCCCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ccc(C)cc1O ZINC001272766319 1257701917 /nfs/dbraw/zinc/70/19/17/1257701917.db2.gz ONOSAHSWHPVUQO-HXUWFJFHSA-N 1 1 346.471 2.694 20 10 EFCDMO [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cccc(Br)c3[O-])C[C@H]21 ZINC000843060255 1258496594 /nfs/dbraw/zinc/49/65/94/1258496594.db2.gz ZHSLADVTRXEELT-ZKYQVNSYSA-N 1 1 325.250 2.714 20 10 EFCDMO Nc1[nH+]cccc1Nc1ccc(O)c2c1C(=O)c1ccccc1C2=O ZINC001212406297 1259786403 /nfs/dbraw/zinc/78/64/03/1259786403.db2.gz YYGLLVYERWNSOR-UHFFFAOYSA-N 1 1 331.331 2.888 20 10 EFCDMO [NH3+]C[C@@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])CC12CCOCC2 ZINC000843125204 1260614027 /nfs/dbraw/zinc/61/40/27/1260614027.db2.gz NZKLIBJAJWBBSP-GFCCVEGCSA-N 1 1 345.270 2.886 20 10 EFCDMO O[C@@H]1CCCC[C@H]1[NH+]1CCC(NCc2ccc3c(c2)CCCO3)CC1 ZINC000921860698 1262923251 /nfs/dbraw/zinc/92/32/51/1262923251.db2.gz UPDCPKODLOJQFK-WOJBJXKFSA-N 1 1 344.499 2.869 20 10 EFCDMO CC(C)(C)c1cccc(C[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)c1O ZINC001143103384 1264206217 /nfs/dbraw/zinc/20/62/17/1264206217.db2.gz BPCAMPSJIFAVQB-KRWDZBQOSA-N 1 1 346.471 2.513 20 10 EFCDMO CC(C)(C)c1cccc(C[N@H+]2CCOC[C@@](O)(C(F)(F)F)C2)c1O ZINC001143103580 1264215604 /nfs/dbraw/zinc/21/56/04/1264215604.db2.gz FVBNEYRAXKIYKR-MRXNPFEDSA-N 1 1 347.377 2.815 20 10 EFCDMO Cc1cccc(NCCNC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)[nH+]1 ZINC000922054410 1264227240 /nfs/dbraw/zinc/22/72/40/1264227240.db2.gz KTKACPXITYEELI-HNNXBMFYSA-N 1 1 341.459 2.928 20 10 EFCDMO O=C1N(CC2CCCC2)CC[C@]12CC[N@H+](Cc1ccc(O)cc1O)C2 ZINC001272988231 1264742260 /nfs/dbraw/zinc/74/22/60/1264742260.db2.gz OMCIQHHKFVCEQR-FQEVSTJZSA-N 1 1 344.455 2.712 20 10 EFCDMO C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(F)cc1[O-] ZINC000186520108 1265017380 /nfs/dbraw/zinc/01/73/80/1265017380.db2.gz STSZUSQLBFDANU-KDOFPFPSSA-N 1 1 344.430 2.949 20 10 EFCDMO CC[C@@H](C)N1C(=O)C[C@@]2(CCC[N@H+](Cc3c(O)cccc3F)C2)C1=O ZINC001273265367 1265209456 /nfs/dbraw/zinc/20/94/56/1265209456.db2.gz FVAILHVJTNSBIW-BFUOFWGJSA-N 1 1 348.418 2.671 20 10 EFCDMO CC[C@@H](C)N1C(=O)C[C@@]2(CCC[N@@H+](Cc3c(O)cccc3F)C2)C1=O ZINC001273265367 1265209461 /nfs/dbraw/zinc/20/94/61/1265209461.db2.gz FVAILHVJTNSBIW-BFUOFWGJSA-N 1 1 348.418 2.671 20 10 EFCDMO CCCCN1C(=O)C[C@@]2(CCC[N@@H+](Cc3c([O-])cccc3F)C2)C1=O ZINC001273266447 1265248974 /nfs/dbraw/zinc/24/89/74/1265248974.db2.gz YBQBICFIZXGWHY-LJQANCHMSA-N 1 1 348.418 2.673 20 10 EFCDMO CCCCN1C(=O)C[C@@]2(CCC[N@H+](Cc3c(O)cccc3F)C2)C1=O ZINC001273266447 1265248983 /nfs/dbraw/zinc/24/89/83/1265248983.db2.gz YBQBICFIZXGWHY-LJQANCHMSA-N 1 1 348.418 2.673 20 10 EFCDMO CCCCN1C(=O)C[C@@]2(CCC[N@@H+](Cc3c(O)cccc3F)C2)C1=O ZINC001273266447 1265248994 /nfs/dbraw/zinc/24/89/94/1265248994.db2.gz YBQBICFIZXGWHY-LJQANCHMSA-N 1 1 348.418 2.673 20 10 EFCDMO O[C@@H]1CCC[C@H]1[C@@H]1CCC[N@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000824715214 1278258679 /nfs/dbraw/zinc/25/86/79/1278258679.db2.gz JIDPERVSZVPPOH-XKGZKEIXSA-N 1 1 348.462 2.788 20 10 EFCDMO COc1c(O)c(C[NH2+]C[C@@]2(C)CC2(Cl)Cl)ccc1[N+](=O)[O-] ZINC000824773940 1278276257 /nfs/dbraw/zinc/27/62/57/1278276257.db2.gz OZEMNCBLBUEDMV-GFCCVEGCSA-N 1 1 335.187 2.983 20 10 EFCDMO CC(=O)[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1c(C)ccc(C)c1O ZINC001273049175 1266789833 /nfs/dbraw/zinc/78/98/33/1266789833.db2.gz OQBFXSVBQCTSFF-ZTFGCOKTSA-N 1 1 344.455 2.552 20 10 EFCDMO CN(C)c1ccc(C[NH+]2CCN(c3ccnc(F)c3)CC2)cc1F ZINC000824805918 1278292035 /nfs/dbraw/zinc/29/20/35/1278292035.db2.gz SPWYVKHBRUFHFF-UHFFFAOYSA-N 1 1 332.398 2.748 20 10 EFCDMO CC[N@H+]1CCC[C@@H]1CNC(=S)NCc1ccc(N(C)C)cc1C ZINC000734385182 1266964092 /nfs/dbraw/zinc/96/40/92/1266964092.db2.gz MSCAZLUIZKORGW-QGZVFWFLSA-N 1 1 334.533 2.509 20 10 EFCDMO Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000734661392 1267057503 /nfs/dbraw/zinc/05/75/03/1267057503.db2.gz LNAGZVGRVWXKCX-WBVHZDCISA-N 1 1 346.519 2.981 20 10 EFCDMO Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[N@H+](C(C)C)CC1 ZINC000734687039 1267064577 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CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000820385337 1277139493 /nfs/dbraw/zinc/13/94/93/1277139493.db2.gz IYNLXXGBIULNAY-ZDUSSCGKSA-N 1 1 331.420 2.653 20 10 EFCDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000820489771 1277195693 /nfs/dbraw/zinc/19/56/93/1277195693.db2.gz ASHADFIISQDMND-AWEZNQCLSA-N 1 1 343.431 2.653 20 10 EFCDMO Cc1cc(CO)cc(NCc2ccc(N3CCC(O)CC3)c(F)c2)[nH+]1 ZINC000820633726 1277257092 /nfs/dbraw/zinc/25/70/92/1277257092.db2.gz HSMXTOLWXWDXAA-UHFFFAOYSA-N 1 1 345.418 2.595 20 10 EFCDMO COc1ccc(O)c([C@@H](C)NC(=O)C[N@@H+](C)CCc2ccccc2)c1 ZINC000821064531 1277425040 /nfs/dbraw/zinc/42/50/40/1277425040.db2.gz CPDUWIZNZNUTRQ-OAHLLOKOSA-N 1 1 342.439 2.753 20 10 EFCDMO COC(=O)C[N@H+](CCC1(OC)CCC1)Cc1cc(Cl)ccc1O ZINC000815070650 1287295567 /nfs/dbraw/zinc/29/55/67/1287295567.db2.gz WZEDVRRGAJSVBP-UHFFFAOYSA-N 1 1 341.835 2.980 20 10 EFCDMO COC(=O)C[N@@H+](CCC1(OC)CCC1)Cc1cc(Cl)ccc1O ZINC000815070650 1287295574 /nfs/dbraw/zinc/29/55/74/1287295574.db2.gz WZEDVRRGAJSVBP-UHFFFAOYSA-N 1 1 341.835 2.980 20 10 EFCDMO Cc1cc(C[NH+]2CCN(C3=NC[C@H](C)S3)CC2)ccc1N(C)C ZINC000815072210 1287298650 /nfs/dbraw/zinc/29/86/50/1287298650.db2.gz HXICSXTVOGZTML-HNNXBMFYSA-N 1 1 332.517 2.670 20 10 EFCDMO Cc1cc(C[N@H+]2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)ccc1N(C)C ZINC000815080482 1287302991 /nfs/dbraw/zinc/30/29/91/1287302991.db2.gz CFUJLQSMOAVJKA-AZUAARDMSA-N 1 1 342.487 2.883 20 10 EFCDMO O=C(NCC[NH2+]Cc1c(O)ccc(Cl)c1F)c1ccc(F)cc1 ZINC000790956548 1277877788 /nfs/dbraw/zinc/87/77/88/1277877788.db2.gz UBZMLGLAPQEWFG-UHFFFAOYSA-N 1 1 340.757 2.843 20 10 EFCDMO O=S(=O)(CC[NH2+]Cc1c(O)ccc(Cl)c1F)c1ccccc1 ZINC000790956515 1277878101 /nfs/dbraw/zinc/87/81/01/1277878101.db2.gz RVZOBKMIOPVUQO-UHFFFAOYSA-N 1 1 343.807 2.748 20 10 EFCDMO C[C@H]([NH2+]Cc1cn(C(C)(C)C)nn1)c1ccc(N2CCOCC2)cc1 ZINC000790958427 1277878522 /nfs/dbraw/zinc/87/85/22/1277878522.db2.gz PDGFRCVQKVCFPC-HNNXBMFYSA-N 1 1 343.475 2.721 20 10 EFCDMO 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EFCDMO C[C@H](CNC(=O)NCc1cc(Cl)ccc1O)[N@H+]1CCC[C@H](C)C1 ZINC000844879929 1279313810 /nfs/dbraw/zinc/31/38/10/1279313810.db2.gz NPCIOVZGQHVNTM-QWHCGFSZSA-N 1 1 339.867 2.965 20 10 EFCDMO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3cc(Cl)cc(F)c3[O-])C2)C1 ZINC000844901891 1279325006 /nfs/dbraw/zinc/32/50/06/1279325006.db2.gz IELBGFCHKBORAF-XFJVYGCCSA-N 1 1 342.842 2.903 20 10 EFCDMO COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@H](c2ccco2)[NH+](C)C)c1 ZINC000103595745 1279361008 /nfs/dbraw/zinc/36/10/08/1279361008.db2.gz BLIPFJGZCNMREL-DOMZBBRYSA-N 1 1 347.415 2.657 20 10 EFCDMO OC[C@H]1CCC[N@H+](Cc2cc(Br)c(F)cc2O)CC1 ZINC001144299335 1279387207 /nfs/dbraw/zinc/38/72/07/1279387207.db2.gz WPSSDOFZVBDSLM-JTQLQIEISA-N 1 1 332.213 2.888 20 10 EFCDMO OC[C@H]1CCC[N@@H+](Cc2cc(Br)c(F)cc2O)CC1 ZINC001144299335 1279387215 /nfs/dbraw/zinc/38/72/15/1279387215.db2.gz WPSSDOFZVBDSLM-JTQLQIEISA-N 1 1 332.213 2.888 20 10 EFCDMO C[N@H+]1C[C@H]2[C@H](C1)CCCN2Cc1cc(Br)c(F)cc1O ZINC001144306401 1279403748 /nfs/dbraw/zinc/40/37/48/1279403748.db2.gz AIYLLZMDGLUMSC-HZMBPMFUSA-N 1 1 343.240 2.820 20 10 EFCDMO C[N@@H+]1C[C@H]2[C@H](C1)CCCN2Cc1cc(Br)c(F)cc1O ZINC001144306401 1279403755 /nfs/dbraw/zinc/40/37/55/1279403755.db2.gz AIYLLZMDGLUMSC-HZMBPMFUSA-N 1 1 343.240 2.820 20 10 EFCDMO Oc1cc(F)c(Br)cc1C[N@@H+]1CC[C@H]2OCC[C@H]2C1 ZINC001144306579 1279404012 /nfs/dbraw/zinc/40/40/12/1279404012.db2.gz HTJDVYXZPUKUCJ-LKFCYVNXSA-N 1 1 330.197 2.905 20 10 EFCDMO Oc1cc(F)c(Br)cc1C[N@H+]1CC[C@H]2OCC[C@H]2C1 ZINC001144306579 1279404020 /nfs/dbraw/zinc/40/40/20/1279404020.db2.gz HTJDVYXZPUKUCJ-LKFCYVNXSA-N 1 1 330.197 2.905 20 10 EFCDMO C[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C[C@H](C2CC2)O1 ZINC000793214688 1279443783 /nfs/dbraw/zinc/44/37/83/1279443783.db2.gz QBIBMGLZMKYPJE-AUUYWEPGSA-N 1 1 334.435 2.662 20 10 EFCDMO C[C@@H]1C[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C[C@H](C2CC2)O1 ZINC000793214688 1279443791 /nfs/dbraw/zinc/44/37/91/1279443791.db2.gz QBIBMGLZMKYPJE-AUUYWEPGSA-N 1 1 334.435 2.662 20 10 EFCDMO O=C(NCc1cc(Cl)ccc1O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000845151966 1279465370 /nfs/dbraw/zinc/46/53/70/1279465370.db2.gz IHABUORFSLNHDJ-OAHLLOKOSA-N 1 1 337.851 2.862 20 10 EFCDMO CCN(C(C)=O)c1nc(C[NH2+]Cc2ccc(OC)cc2O)cs1 ZINC000793385984 1279613201 /nfs/dbraw/zinc/61/32/01/1279613201.db2.gz FKNLQGHQWRQPAA-UHFFFAOYSA-N 1 1 335.429 2.520 20 10 EFCDMO COc1ccc(C[NH2+]Cc2csc(N(C(C)=O)C3CC3)n2)c(O)c1 ZINC000793387170 1279614803 /nfs/dbraw/zinc/61/48/03/1279614803.db2.gz AGDLBBFPJQLAIY-UHFFFAOYSA-N 1 1 347.440 2.662 20 10 EFCDMO CC1(C)C[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)[C@H]1c1cccnc1 ZINC000793569093 1279752310 /nfs/dbraw/zinc/75/23/10/1279752310.db2.gz BSHHEVVVQCGVAT-AEFFLSMTSA-N 1 1 326.396 2.796 20 10 EFCDMO CC1(C)C[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)[C@H]1c1cccnc1 ZINC000793569093 1279752316 /nfs/dbraw/zinc/75/23/16/1279752316.db2.gz BSHHEVVVQCGVAT-AEFFLSMTSA-N 1 1 326.396 2.796 20 10 EFCDMO Fc1cc(C[N@H+]2CCC[C@@H]2[C@H]2CCCO2)ccc1N1CCOCC1 ZINC000793608976 1279755402 /nfs/dbraw/zinc/75/54/02/1279755402.db2.gz MFHQGICPIDBYRR-RTBURBONSA-N 1 1 334.435 2.806 20 10 EFCDMO CCN(CC)c1ccc(CN2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)cc1F ZINC000793591853 1279761978 /nfs/dbraw/zinc/76/19/78/1279761978.db2.gz RVFKNPKDCICQFC-HZPDHXFCSA-N 1 1 337.483 2.559 20 10 EFCDMO CCN(CC)c1ccc(CN2CC[N@@H+](C[C@H](C)O)C[C@H]2C)cc1F ZINC000793591851 1279762176 /nfs/dbraw/zinc/76/21/76/1279762176.db2.gz RVFKNPKDCICQFC-CVEARBPZSA-N 1 1 337.483 2.559 20 10 EFCDMO COC(=O)c1ccc([C@H]2CCC[N@H+]2Cc2c(O)cc(O)cc2O)cc1 ZINC001144520383 1279762622 /nfs/dbraw/zinc/76/26/22/1279762622.db2.gz NUPCELKKOBFWCF-MRXNPFEDSA-N 1 1 343.379 2.927 20 10 EFCDMO CN1CCN(c2ccc(C[N@@H+]3CCC[C@@H]3[C@H]3CCCO3)cc2)CC1 ZINC000793609691 1279773032 /nfs/dbraw/zinc/77/30/32/1279773032.db2.gz REFUQLMYSPVKKI-WOJBJXKFSA-N 1 1 329.488 2.582 20 10 EFCDMO CN1CCN(c2ccc(C[N@H+]3CCC[C@@H]3[C@H]3CCCO3)cc2)CC1 ZINC000793609691 1279773044 /nfs/dbraw/zinc/77/30/44/1279773044.db2.gz REFUQLMYSPVKKI-WOJBJXKFSA-N 1 1 329.488 2.582 20 10 EFCDMO CC(C)c1noc([C@@H]2CCC[N@@H+](Cc3c(O)cc(O)cc3O)C2)n1 ZINC001144514677 1279774038 /nfs/dbraw/zinc/77/40/38/1279774038.db2.gz ONRJKZGVAFSXNC-LLVKDONJSA-N 1 1 333.388 2.689 20 10 EFCDMO Oc1cc(O)c(C[N@H+]2C[C@@H]3C[C@H](C2)c2cc4nccnc4cc23)c(O)c1 ZINC001144515367 1279778172 /nfs/dbraw/zinc/77/81/72/1279778172.db2.gz LMYMCHZDYRNVRG-TXEJJXNPSA-N 1 1 349.390 2.833 20 10 EFCDMO COC(=O)c1cccc([C@@H]2CCC[N@H+]2Cc2c(O)cc(O)cc2O)c1 ZINC001144516223 1279779380 /nfs/dbraw/zinc/77/93/80/1279779380.db2.gz UJEXNEKXBLOFAL-INIZCTEOSA-N 1 1 343.379 2.927 20 10 EFCDMO Cc1ccnc(O[C@H]2CCC[N@@H+](Cc3c(O)cc(O)cc3O)C2)c1 ZINC001144516447 1279779592 /nfs/dbraw/zinc/77/95/92/1279779592.db2.gz YNVUVVOMFJYBDH-AWEZNQCLSA-N 1 1 330.384 2.550 20 10 EFCDMO C[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)Cc2ccccc2O1 ZINC000793779072 1279891934 /nfs/dbraw/zinc/89/19/34/1279891934.db2.gz GQOHIYDPKGSJKD-PXAZEXFGSA-N 1 1 327.380 2.601 20 10 EFCDMO Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)CC2 ZINC000845957815 1279933323 /nfs/dbraw/zinc/93/33/23/1279933323.db2.gz SHSQOLKBGCIUSM-XJKSGUPXSA-N 1 1 326.444 2.697 20 10 EFCDMO COc1ccc(N(C)CCN(C)Cc2ncc(C[NH+](C)C)s2)cc1 ZINC000846051335 1280001124 /nfs/dbraw/zinc/00/11/24/1280001124.db2.gz FVRLIJKYAGSJEJ-UHFFFAOYSA-N 1 1 348.516 2.782 20 10 EFCDMO COc1cc(Br)cc(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)c1O ZINC000846113617 1280023036 /nfs/dbraw/zinc/02/30/36/1280023036.db2.gz ZNWIHLMAISYWRK-AOOOYVTPSA-N 1 1 334.160 2.860 20 10 EFCDMO COc1cc(Br)cc(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)c1O ZINC000846113617 1280023044 /nfs/dbraw/zinc/02/30/44/1280023044.db2.gz ZNWIHLMAISYWRK-AOOOYVTPSA-N 1 1 334.160 2.860 20 10 EFCDMO COc1cccc([C@@H](C)[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)c1O ZINC000846148417 1280036457 /nfs/dbraw/zinc/03/64/57/1280036457.db2.gz ZEEVXESFBITPAG-CABCVRRESA-N 1 1 334.460 2.552 20 10 EFCDMO [NH3+]CC1(CCNC(=O)NCc2cc(Cl)cc(Cl)c2O)CC1 ZINC000846184411 1280063073 /nfs/dbraw/zinc/06/30/73/1280063073.db2.gz OZRLVRSLJKOSMU-UHFFFAOYSA-N 1 1 332.231 2.627 20 10 EFCDMO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccc2nonc2c1 ZINC000846766204 1280467490 /nfs/dbraw/zinc/46/74/90/1280467490.db2.gz PHTQWQZIFXAXHT-UHFFFAOYSA-N 1 1 338.411 2.691 20 10 EFCDMO Cn1cncc1CCC[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000846823871 1280518973 /nfs/dbraw/zinc/51/89/73/1280518973.db2.gz BDAINUYGODCPBC-GOSISDBHSA-N 1 1 329.444 2.740 20 10 EFCDMO CCC[N@H+]1CCC[C@H]1CNC(=O)NCCCSc1nccs1 ZINC000806958311 1281181628 /nfs/dbraw/zinc/18/16/28/1281181628.db2.gz GAFCEIOURMPHGT-ZDUSSCGKSA-N 1 1 342.534 2.799 20 10 EFCDMO O=C([C@@H]1CC[N@H+](Cc2cc3c(cc2O)CCCC3)C1)N1CCCC1 ZINC000808209040 1281603836 /nfs/dbraw/zinc/60/38/36/1281603836.db2.gz SHKHBTMOQSEFHP-QGZVFWFLSA-N 1 1 328.456 2.715 20 10 EFCDMO COc1ccc(N2CCC[N@@H+](Cc3cncc(OC)c3)CC2)cc1 ZINC000808711403 1281868089 /nfs/dbraw/zinc/86/80/89/1281868089.db2.gz FVHQFXTYWJMEMZ-UHFFFAOYSA-N 1 1 327.428 2.811 20 10 EFCDMO CN1CC[C@@H]([N@@H+](C)Cc2ccc3c(c2)CCN3Cc2ccccc2)C1=O ZINC000809580287 1282294432 /nfs/dbraw/zinc/29/44/32/1282294432.db2.gz MJNQKKOGWYALSJ-OAQYLSRUSA-N 1 1 349.478 2.912 20 10 EFCDMO Cc1cc(N(C)C)ccc1C[NH2+]Cc1ncc(C2OCCO2)s1 ZINC000809619169 1282321676 /nfs/dbraw/zinc/32/16/76/1282321676.db2.gz QSEFNXMLUQQHIW-UHFFFAOYSA-N 1 1 333.457 2.853 20 10 EFCDMO C[N@@H+](Cc1ccc2c(c1)CCN2Cc1ccccc1)[C@@H]1CCNC1=O ZINC000809596250 1282331090 /nfs/dbraw/zinc/33/10/90/1282331090.db2.gz XOEQIQYVYBXCDC-HXUWFJFHSA-N 1 1 335.451 2.570 20 10 EFCDMO C[N@@H+](Cc1ccc2c(c1)CCN2Cc1ccccc1)[C@H]1CCNC1=O ZINC000809596249 1282332524 /nfs/dbraw/zinc/33/25/24/1282332524.db2.gz XOEQIQYVYBXCDC-FQEVSTJZSA-N 1 1 335.451 2.570 20 10 EFCDMO CCOc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c(O)c1 ZINC000809697523 1282382155 /nfs/dbraw/zinc/38/21/55/1282382155.db2.gz IIZVRJRQKFMAIS-OCCSQVGLSA-N 1 1 333.350 2.784 20 10 EFCDMO CCC[N@H+](CCN1CCCC1)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000809700751 1282389578 /nfs/dbraw/zinc/38/95/78/1282389578.db2.gz NKWJFSSDHDKAIV-UHFFFAOYSA-N 1 1 349.494 2.970 20 10 EFCDMO CCC[N@@H+](CCN1CCCC1)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000809700751 1282389589 /nfs/dbraw/zinc/38/95/89/1282389589.db2.gz NKWJFSSDHDKAIV-UHFFFAOYSA-N 1 1 349.494 2.970 20 10 EFCDMO CCN(CC)c1ccc(C[N@H+]2C[C@@H](N3CCOCC3)C[C@H]2C)cc1 ZINC000809700943 1282390497 /nfs/dbraw/zinc/39/04/97/1282390497.db2.gz RPXXTYQPIIYAET-XLIONFOSSA-N 1 1 331.504 2.828 20 10 EFCDMO CN(CC[N@H+](C)Cc1cc(Cl)ccc1[O-])C1CC[NH+](C)CC1 ZINC000809734503 1282412044 /nfs/dbraw/zinc/41/20/44/1282412044.db2.gz INMWYHONFRQIQO-UHFFFAOYSA-N 1 1 325.884 2.503 20 10 EFCDMO CN(CC[N@@H+](C)Cc1cc(Cl)ccc1[O-])C1CC[NH+](C)CC1 ZINC000809734503 1282412048 /nfs/dbraw/zinc/41/20/48/1282412048.db2.gz INMWYHONFRQIQO-UHFFFAOYSA-N 1 1 325.884 2.503 20 10 EFCDMO CCOc1ccc(O)c(C[N@H+]2CCCC[C@H]2COC(=O)N(C)C)c1 ZINC000809710506 1282421253 /nfs/dbraw/zinc/42/12/53/1282421253.db2.gz ZEXZKHUJIYVVRN-HNNXBMFYSA-N 1 1 336.432 2.844 20 10 EFCDMO COc1c(O)c(C[NH2+]CC[C@@H](O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000809747282 1282446917 /nfs/dbraw/zinc/44/69/17/1282446917.db2.gz NNRLSQWLSBRGHX-OAHLLOKOSA-N 1 1 332.356 2.522 20 10 EFCDMO Cc1cc(Br)c(O)c(C[N@H+](C)C[C@H](O)C(F)(F)F)c1 ZINC000809751879 1282455514 /nfs/dbraw/zinc/45/55/14/1282455514.db2.gz WPEBNHNBRKKEDO-JTQLQIEISA-N 1 1 342.155 2.818 20 10 EFCDMO Cc1cc(Br)c(O)c(C[N@@H+](C)C[C@H](O)C(F)(F)F)c1 ZINC000809751879 1282455517 /nfs/dbraw/zinc/45/55/17/1282455517.db2.gz WPEBNHNBRKKEDO-JTQLQIEISA-N 1 1 342.155 2.818 20 10 EFCDMO COc1cc(Br)cc(CN(C)CC[N@@H+](C)C2CC2)c1O ZINC000809755104 1282457030 /nfs/dbraw/zinc/45/70/30/1282457030.db2.gz PMIDFZJXJUJDNJ-UHFFFAOYSA-N 1 1 343.265 2.689 20 10 EFCDMO COc1cc(Br)cc(C[N@H+](C)CCN(C)C2CC2)c1O ZINC000809755104 1282457035 /nfs/dbraw/zinc/45/70/35/1282457035.db2.gz PMIDFZJXJUJDNJ-UHFFFAOYSA-N 1 1 343.265 2.689 20 10 EFCDMO COc1cc(Br)cc(C[N@@H+](C)CCN(C)C2CC2)c1O ZINC000809755104 1282457040 /nfs/dbraw/zinc/45/70/40/1282457040.db2.gz PMIDFZJXJUJDNJ-UHFFFAOYSA-N 1 1 343.265 2.689 20 10 EFCDMO C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cccc(Br)c1[O-] ZINC000809765543 1282465227 /nfs/dbraw/zinc/46/52/27/1282465227.db2.gz ODABAKIHHFSSTI-RISCZKNCSA-N 1 1 327.266 2.927 20 10 EFCDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cccc(Br)c1[O-] ZINC000809765543 1282465230 /nfs/dbraw/zinc/46/52/30/1282465230.db2.gz ODABAKIHHFSSTI-RISCZKNCSA-N 1 1 327.266 2.927 20 10 EFCDMO C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cccc(Br)c1[O-] ZINC000809765543 1282465235 /nfs/dbraw/zinc/46/52/35/1282465235.db2.gz ODABAKIHHFSSTI-RISCZKNCSA-N 1 1 327.266 2.927 20 10 EFCDMO C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cccc(Br)c1[O-] ZINC000809765543 1282465241 /nfs/dbraw/zinc/46/52/41/1282465241.db2.gz ODABAKIHHFSSTI-RISCZKNCSA-N 1 1 327.266 2.927 20 10 EFCDMO C[C@H]([NH2+]Cc1ccc(C(N)=O)nc1)c1cccc(C(F)(F)F)c1O ZINC000815587769 1287617730 /nfs/dbraw/zinc/61/77/30/1287617730.db2.gz STTNWCRWDOQXIG-VIFPVBQESA-N 1 1 339.317 2.756 20 10 EFCDMO C[C@@H]([NH2+]C[C@H](O)C1CCOCC1)c1cccc(C(F)(F)F)c1O ZINC000815594503 1287619499 /nfs/dbraw/zinc/61/94/99/1287619499.db2.gz QHKODEBXNWAQTR-YGRLFVJLSA-N 1 1 333.350 2.849 20 10 EFCDMO C[C@@H]([NH2+][C@@H]1CC(=O)N(C2CC2)C1)c1cccc(C(F)(F)F)c1O ZINC000815595560 1287620905 /nfs/dbraw/zinc/62/09/05/1287620905.db2.gz VIBNRAXZLOXMPF-NXEZZACHSA-N 1 1 328.334 2.825 20 10 EFCDMO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000815600157 1287625725 /nfs/dbraw/zinc/62/57/25/1287625725.db2.gz NCJDFHYWTBCRCX-XWIASGKRSA-N 1 1 330.350 2.976 20 10 EFCDMO C[C@H]([NH2+][C@H](CO)C1CCOCC1)c1cccc(C(F)(F)F)c1O ZINC000815615721 1287639316 /nfs/dbraw/zinc/63/93/16/1287639316.db2.gz WBBRXSIUIFZZTA-IINYFYTJSA-N 1 1 333.350 2.849 20 10 EFCDMO CN1CC(=O)Nc2ccc(NCc3cc4ccccc4cc3O)[nH+]c21 ZINC001171403139 1283511344 /nfs/dbraw/zinc/51/13/44/1283511344.db2.gz ZGXDKTMBAYUUAX-UHFFFAOYSA-N 1 1 334.379 2.941 20 10 EFCDMO C[NH+]1CCN(c2nccnc2NCc2cc3ccccc3cc2O)CC1 ZINC001171402214 1283520426 /nfs/dbraw/zinc/52/04/26/1283520426.db2.gz JEZIRFBXRBJGQN-UHFFFAOYSA-N 1 1 349.438 2.699 20 10 EFCDMO C[C@](O)(C[NH2+]Cc1cc(Br)cc(F)c1O)C(F)(F)F ZINC000715712136 1284311881 /nfs/dbraw/zinc/31/18/81/1284311881.db2.gz IWOUIUZPEPLJCD-JTQLQIEISA-N 1 1 346.118 2.697 20 10 EFCDMO Cc1cc(C)c(O)c(C[N@H+]2CCC[C@@H](CNC(=O)C(F)(F)F)C2)c1 ZINC000811786015 1284649462 /nfs/dbraw/zinc/64/94/62/1284649462.db2.gz LSTUOBNDLLDXIQ-ZDUSSCGKSA-N 1 1 344.377 2.900 20 10 EFCDMO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000811953673 1284748184 /nfs/dbraw/zinc/74/81/84/1284748184.db2.gz HYGOKEGZMYXSMZ-CQSZACIVSA-N 1 1 333.476 2.799 20 10 EFCDMO CC(C)[N@@H+](C)C[C@H](C)NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000811930834 1284756166 /nfs/dbraw/zinc/75/61/66/1284756166.db2.gz HYGOKEGZMYXSMZ-AWEZNQCLSA-N 1 1 333.476 2.799 20 10 EFCDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000811979602 1284768223 /nfs/dbraw/zinc/76/82/23/1284768223.db2.gz UCVXLZKJASVWDV-AWEZNQCLSA-N 1 1 338.471 2.811 20 10 EFCDMO CCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(N=NC(N)=O)cc3)CC[C@H]21 ZINC001036905343 1285401406 /nfs/dbraw/zinc/40/14/06/1285401406.db2.gz IEUYGCIKZYITIB-GDBMZVCRSA-N 1 1 343.431 2.795 20 10 EFCDMO COc1ccc(O)c(CNc2cccc(C[N@H+]3CC[C@@H](O)C3)c2)c1 ZINC000812778011 1285412547 /nfs/dbraw/zinc/41/25/47/1285412547.db2.gz DYOWBAPSRZXOQX-QGZVFWFLSA-N 1 1 328.412 2.580 20 10 EFCDMO C[N@@H+](Cc1ccc(N2CCCC2)cc1)[C@@H]1CCN2C(=O)CC[C@H]2C1 ZINC001172190830 1286036498 /nfs/dbraw/zinc/03/64/98/1286036498.db2.gz SHHDEKSWICCHTL-MOPGFXCFSA-N 1 1 327.472 2.872 20 10 EFCDMO CCCc1nc(C)c(CNCc2ccc(N3CC[NH+](C)CC3)cc2)o1 ZINC000813792683 1286120361 /nfs/dbraw/zinc/12/03/61/1286120361.db2.gz URYFGSATWDGZKS-UHFFFAOYSA-N 1 1 342.487 2.977 20 10 EFCDMO Fc1cc(C[N@H+]2CCOC[C@H](C3CCC3)C2)ccc1N1CCOCC1 ZINC000814178571 1286362210 /nfs/dbraw/zinc/36/22/10/1286362210.db2.gz VROQXJOPNPXGLP-GOSISDBHSA-N 1 1 348.462 2.911 20 10 EFCDMO [NH3+][C@H]1CCN(Cc2cc(F)cc(Br)c2O)CC[C@H]1F ZINC001206198584 1286558135 /nfs/dbraw/zinc/55/81/35/1286558135.db2.gz MPFKYRNGHICEQN-NEPJUHHUSA-N 1 1 335.192 2.555 20 10 EFCDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)[C@H]1CCC[C@@H](n2ncnn2)C1 ZINC001173766330 1286783724 /nfs/dbraw/zinc/78/37/24/1286783724.db2.gz GZONJSUNDQMTJL-ZWKOTPCHSA-N 1 1 328.464 2.745 20 10 EFCDMO Oc1cc(F)c(Cl)cc1C[NH2+]C[C@H](O)COc1ccccc1 ZINC000816533143 1288191493 /nfs/dbraw/zinc/19/14/93/1288191493.db2.gz KGOIGBJDBRIMFI-LBPRGKRZSA-N 1 1 325.767 2.714 20 10 EFCDMO O=C(NC1CC1)N[C@@H]1CC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816569283 1288212247 /nfs/dbraw/zinc/21/22/47/1288212247.db2.gz GCZXIERYRMPALO-MRXNPFEDSA-N 1 1 325.412 2.581 20 10 EFCDMO C[C@@H]1CN(CC[N@@H+](C)Cc2cc(Cl)c(F)cc2O)C[C@H](C)O1 ZINC000816593723 1288217820 /nfs/dbraw/zinc/21/78/20/1288217820.db2.gz BUDSTMZUBGVBEG-TXEJJXNPSA-N 1 1 330.831 2.726 20 10 EFCDMO C[C@@H]1CN(CC[N@H+](C)Cc2cc(Cl)c(F)cc2O)C[C@H](C)O1 ZINC000816593723 1288217816 /nfs/dbraw/zinc/21/78/16/1288217816.db2.gz BUDSTMZUBGVBEG-TXEJJXNPSA-N 1 1 330.831 2.726 20 10 EFCDMO CCc1nocc1C[N@H+](C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000816652183 1288229549 /nfs/dbraw/zinc/22/95/49/1288229549.db2.gz CHMXRXZWXZILDF-UHFFFAOYSA-N 1 1 333.407 2.845 20 10 EFCDMO CCc1nocc1C[N@@H+](C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000816652183 1288229553 /nfs/dbraw/zinc/22/95/53/1288229553.db2.gz CHMXRXZWXZILDF-UHFFFAOYSA-N 1 1 333.407 2.845 20 10 EFCDMO COc1cc(Br)cc(CN2C[C@@H](C)[N@H+](C)[C@@H](C)C2)c1O ZINC000816654081 1288229730 /nfs/dbraw/zinc/22/97/30/1288229730.db2.gz STIBMOGOUZQUMN-PHIMTYICSA-N 1 1 343.265 2.688 20 10 EFCDMO Cc1cc(Br)c(O)c(CN2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)c1 ZINC000816654007 1288229899 /nfs/dbraw/zinc/22/98/99/1288229899.db2.gz PZISGJPRVUFHFE-TXEJJXNPSA-N 1 1 327.266 2.988 20 10 EFCDMO C[NH+]1CCN(c2ccc(CN3C[C@]4(CCCO4)[C@@H]3C3CC3)cc2)CC1 ZINC000816666291 1288235996 /nfs/dbraw/zinc/23/59/96/1288235996.db2.gz JLXQTSPBEXLLCR-LEWJYISDSA-N 1 1 341.499 2.582 20 10 EFCDMO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000817171595 1288448339 /nfs/dbraw/zinc/44/83/39/1288448339.db2.gz YLRPVNHSVLMLBZ-LPHOPBHVSA-N 1 1 346.519 2.728 20 10 EFCDMO COC1([C@@H](C)[NH2+]Cc2cc(Cl)cc(C(C)=O)c2O)CCOCC1 ZINC000817297469 1288526647 /nfs/dbraw/zinc/52/66/47/1288526647.db2.gz RCHHOQJBUJJTTR-GFCCVEGCSA-N 1 1 341.835 2.922 20 10 EFCDMO CN(C)c1ncc(C[N@@H+](Cc2ccc(N(C)C)cc2)C2CC2)n1C ZINC000822443656 1288966419 /nfs/dbraw/zinc/96/64/19/1288966419.db2.gz ZFXRGVZGBSAZFM-UHFFFAOYSA-N 1 1 327.476 2.717 20 10 EFCDMO O=C(/C=C/c1ccc(O)c(O)c1)N[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001179691245 1289221029 /nfs/dbraw/zinc/22/10/29/1289221029.db2.gz DUXAJOZKFNLWQD-LKUPDRCFSA-N 1 1 344.455 2.882 20 10 EFCDMO COC(=O)c1c(C[N@H+]2CCC[C@@](C)(O)[C@H](C)C2)c2ccccc2n1C ZINC001232402320 1312693852 /nfs/dbraw/zinc/69/38/52/1312693852.db2.gz LNOYFMQPJKJNRD-JLTOFOAXSA-N 1 1 344.455 2.948 20 10 EFCDMO COC(=O)c1c(C[N@H+]2CCC[C@@]3(CCOC3)C2)c2ccccc2n1C ZINC001232402820 1312693990 /nfs/dbraw/zinc/69/39/90/1312693990.db2.gz QGJNLAYSKFZTBK-HXUWFJFHSA-N 1 1 342.439 2.967 20 10 EFCDMO Cc1ncncc1[C@H](C)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000903447767 1312694312 /nfs/dbraw/zinc/69/43/12/1312694312.db2.gz CEWJQMADEKMNOR-IFXJQAMLSA-N 1 1 327.476 2.805 20 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/nfs/dbraw/zinc/69/59/61/1312695961.db2.gz XQDQARLHFPLOFQ-CRAIPNDOSA-N 1 1 327.476 2.805 20 10 EFCDMO Oc1cc2c(cc1C[N@H+]1CC[C@H](Oc3ccc(F)cc3)C1)[C@@H](O)CO2 ZINC000872802262 1289391219 /nfs/dbraw/zinc/39/12/19/1289391219.db2.gz MJCCYRJSJPXZAW-YJBOKZPZSA-N 1 1 345.370 2.610 20 10 EFCDMO CCN1CCN(c2ccc(C[NH2+][C@@H]3CSC[C@H]3C)cc2F)CC1 ZINC000823801482 1289462817 /nfs/dbraw/zinc/46/28/17/1289462817.db2.gz GOQCKVVYMGVKLH-RHSMWYFYSA-N 1 1 337.508 2.809 20 10 EFCDMO COc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1Cn1cccn1 ZINC000873012463 1289519062 /nfs/dbraw/zinc/51/90/62/1289519062.db2.gz JCZBXJOSLZDCPW-KRWDZBQOSA-N 1 1 340.471 2.514 20 10 EFCDMO COc1ccc(CNC[C@@H]2CC[N@@H+](C3CC3)C2)cc1Cn1cccn1 ZINC000873012463 1289519071 /nfs/dbraw/zinc/51/90/71/1289519071.db2.gz JCZBXJOSLZDCPW-KRWDZBQOSA-N 1 1 340.471 2.514 20 10 EFCDMO COc1ccc(CNC[C@@H]2CC[N@H+](C3CC3)C2)cc1Cn1cccn1 ZINC000873012463 1289519082 /nfs/dbraw/zinc/51/90/82/1289519082.db2.gz JCZBXJOSLZDCPW-KRWDZBQOSA-N 1 1 340.471 2.514 20 10 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CC[N@H+](C)C[C@H]1CCN(Cc2cccc(Br)c2O)C1 ZINC000093770404 1291214599 /nfs/dbraw/zinc/21/45/99/1291214599.db2.gz HVCIHNWICGSFTM-GFCCVEGCSA-N 1 1 327.266 2.928 20 10 EFCDMO CC[N@@H+](C)C[C@H]1CCN(Cc2cccc(Br)c2O)C1 ZINC000093770404 1291214601 /nfs/dbraw/zinc/21/46/01/1291214601.db2.gz HVCIHNWICGSFTM-GFCCVEGCSA-N 1 1 327.266 2.928 20 10 EFCDMO CC[C@]1(CO)CCC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877438116 1291232976 /nfs/dbraw/zinc/23/29/76/1291232976.db2.gz BZKYYKKFYAPQAA-FQEVSTJZSA-N 1 1 332.488 2.632 20 10 EFCDMO C[C@@H]1C[C@@H](N2CCOCC2)C[N@H+]1Cc1cc2c(cc1O)CCCC2 ZINC000795697507 1291239341 /nfs/dbraw/zinc/23/93/41/1291239341.db2.gz DWSOTSZCHYIVJZ-DNVCBOLYSA-N 1 1 330.472 2.566 20 10 EFCDMO C[C@H]1C[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C[C@@H](C2CC2)O1 ZINC000877486930 1291245162 /nfs/dbraw/zinc/24/51/62/1291245162.db2.gz OESBUMDFACNYDK-YWZLYKJASA-N 1 1 330.472 2.647 20 10 EFCDMO CN1[C@@H]2CC[C@H]1CC([N@H+](C)Cc1ccc(N3CCC(O)CC3)cc1)C2 ZINC000877517769 1291255394 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1 1 343.515 2.706 20 10 EFCDMO COc1cc(C)cc(C[N@H+]2CCC[C@](O)(C(F)(F)F)CC2)c1O ZINC000795722676 1291311039 /nfs/dbraw/zinc/31/10/39/1291311039.db2.gz WYSKCYYSVUOOHK-OAHLLOKOSA-N 1 1 333.350 2.989 20 10 EFCDMO COC(=O)[C@@H]1C[N@@H+](Cc2c(C)cccc2O)C[C@H]1c1ccc(O)cc1 ZINC000877655056 1291313280 /nfs/dbraw/zinc/31/32/80/1291313280.db2.gz MJRNAAZKTLXYCN-ZWKOTPCHSA-N 1 1 341.407 2.795 20 10 EFCDMO COc1cc(C[N@H+]2CCSC[C@H]2CO)c(O)c(C(C)(C)C)c1 ZINC000877779594 1291373400 /nfs/dbraw/zinc/37/34/00/1291373400.db2.gz CVRDZTGGGGAHOK-CYBMUJFWSA-N 1 1 325.474 2.608 20 10 EFCDMO CCC[C@@]1(CO)CCC[N@@H+]1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775174995 1291407353 /nfs/dbraw/zinc/40/73/53/1291407353.db2.gz DWDQMINPSFVPIX-FQEVSTJZSA-N 1 1 331.504 2.565 20 10 EFCDMO CCC[C@@]1(CO)CCC[N@H+]1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775174995 1291407359 /nfs/dbraw/zinc/40/73/59/1291407359.db2.gz DWDQMINPSFVPIX-FQEVSTJZSA-N 1 1 331.504 2.565 20 10 EFCDMO COc1cc(O)c(C[N@@H+]2CC[C@H]3OCC[C@H]32)cc1Br ZINC001233137355 1312864133 /nfs/dbraw/zinc/86/41/33/1312864133.db2.gz JSDAAGJQZAVIGY-DGCLKSJQSA-N 1 1 328.206 2.527 20 10 EFCDMO COc1cc(O)c(C[N@H+]2CC[C@H]3OCC[C@H]32)cc1Br ZINC001233137355 1312864137 /nfs/dbraw/zinc/86/41/37/1312864137.db2.gz JSDAAGJQZAVIGY-DGCLKSJQSA-N 1 1 328.206 2.527 20 10 EFCDMO COc1cc(O)c(C[N@H+]2CCCC3(COC3)C2)cc1Br ZINC001233137312 1312864276 /nfs/dbraw/zinc/86/42/76/1312864276.db2.gz JAGATAFEVBKWIR-UHFFFAOYSA-N 1 1 342.233 2.776 20 10 EFCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCCC(C)(C)CC1)cc2=O ZINC000127116069 1291670204 /nfs/dbraw/zinc/67/02/04/1291670204.db2.gz PYNRVHVIIKVNLT-UHFFFAOYSA-N 1 1 346.431 2.624 20 10 EFCDMO C[N@@H+](Cc1ccc(Br)cc1[O-])CC1CC[NH+](C)CC1 ZINC000691680215 1291677600 /nfs/dbraw/zinc/67/76/00/1291677600.db2.gz UIYVFUCYLJIHSW-UHFFFAOYSA-N 1 1 327.266 2.928 20 10 EFCDMO C[N@H+](Cc1ccc(Br)cc1[O-])CC1CC[NH+](C)CC1 ZINC000691680215 1291677611 /nfs/dbraw/zinc/67/76/11/1291677611.db2.gz UIYVFUCYLJIHSW-UHFFFAOYSA-N 1 1 327.266 2.928 20 10 EFCDMO CCC(CC)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000127222743 1291726307 /nfs/dbraw/zinc/72/63/07/1291726307.db2.gz YIPFAXSBNOBWFO-MRXNPFEDSA-N 1 1 347.503 2.648 20 10 EFCDMO CCOC(=O)c1c(C[N@H+]2CC[C@H](O)[C@@H](C)C2)c2ccccc2n1C ZINC001233270114 1312889119 /nfs/dbraw/zinc/88/91/19/1312889119.db2.gz ATTMLKZLEZCUBF-GUYCJALGSA-N 1 1 330.428 2.558 20 10 EFCDMO CCOC(=O)c1c(C[N@@H+](C)C2CCOCC2)c2ccccc2n1C ZINC001233270258 1312889987 /nfs/dbraw/zinc/88/99/87/1312889987.db2.gz GWIZOUQQHJBCSA-UHFFFAOYSA-N 1 1 330.428 2.966 20 10 EFCDMO CCOC(=O)c1c(C[N@H+]2CCCC[C@@H](O)C2)c2ccccc2n1C ZINC001233270557 1312890041 /nfs/dbraw/zinc/89/00/41/1312890041.db2.gz RPAGDAIENCPHCM-CQSZACIVSA-N 1 1 330.428 2.702 20 10 EFCDMO CCOC(=O)c1c(C[N@H+]2CC[C@H](O)[C@@H](F)CC2)c2ccccc2n1C ZINC001233270594 1312890143 /nfs/dbraw/zinc/89/01/43/1312890143.db2.gz SPKTTWKKNXULJI-RDJZCZTQSA-N 1 1 348.418 2.650 20 10 EFCDMO CCOC(=O)c1c(C[N@H+]2CCC[C@@H](O)[C@@H](C)C2)c2ccccc2n1C ZINC001233270639 1312890591 /nfs/dbraw/zinc/89/05/91/1312890591.db2.gz VBDZILANTRWSEF-KBXCAEBGSA-N 1 1 344.455 2.948 20 10 EFCDMO CCOC(=O)c1c(C[N@@H+](CC)CC(C)(C)O)c2ccccc2n1C ZINC001233273345 1312890708 /nfs/dbraw/zinc/89/07/08/1312890708.db2.gz YWLDPHBEGJJZLJ-UHFFFAOYSA-N 1 1 332.444 2.948 20 10 EFCDMO CN(C)C(=O)[C@H]1C[C@@H]2[C@@H](CC[N@H+]2Cc2cc(C(C)(C)C)ccc2O)O1 ZINC001233285256 1312895140 /nfs/dbraw/zinc/89/51/40/1312895140.db2.gz ZDSHYQGRHMIOIV-KBAYOESNSA-N 1 1 346.471 2.510 20 10 EFCDMO CCNC(=O)CO[C@H]1CCC[N@@H+](Cc2cc(C(C)(C)C)ccc2O)C1 ZINC001233286864 1312895495 /nfs/dbraw/zinc/89/54/95/1312895495.db2.gz MAGWPJOSBFQFJO-KRWDZBQOSA-N 1 1 348.487 2.807 20 10 EFCDMO CC(C)(C)c1ccc(O)c(C[N@H+]2CCOC[C@@](O)(C(F)(F)F)C2)c1 ZINC001233284203 1312895633 /nfs/dbraw/zinc/89/56/33/1312895633.db2.gz MBYTZESHWIQOEH-MRXNPFEDSA-N 1 1 347.377 2.815 20 10 EFCDMO CC(C)(O)CCN1CC[NH+](Cc2cc(C(C)(C)C)ccc2O)CC1 ZINC001233286831 1312895895 /nfs/dbraw/zinc/89/58/95/1312895895.db2.gz KMTCKZGGDOOLIX-UHFFFAOYSA-N 1 1 334.504 2.968 20 10 EFCDMO COc1ccc(N2CC[NH+](CCc3csc(C)n3)CC2)c(OC)c1 ZINC000879463071 1292146227 /nfs/dbraw/zinc/14/62/27/1292146227.db2.gz PJJYNDHUCVLABF-UHFFFAOYSA-N 1 1 347.484 2.833 20 10 EFCDMO Oc1ccc(F)c(F)c1C[N@@H+]1CC[C@@]2(C[C@H](OCC3CC3)CO2)C1 ZINC001233334810 1312905993 /nfs/dbraw/zinc/90/59/93/1312905993.db2.gz URCBNYWBMOVXIH-SCLBCKFNSA-N 1 1 339.382 2.830 20 10 EFCDMO Oc1ccc(F)c(F)c1C[N@H+]1CC[C@@]2(C[C@H](OCC3CC3)CO2)C1 ZINC001233334810 1312905998 /nfs/dbraw/zinc/90/59/98/1312905998.db2.gz URCBNYWBMOVXIH-SCLBCKFNSA-N 1 1 339.382 2.830 20 10 EFCDMO COC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1c([O-])ccc(F)c1F)C2 ZINC001233333688 1312906222 /nfs/dbraw/zinc/90/62/22/1312906222.db2.gz DVDCCWIYPLJMQQ-WBVHZDCISA-N 1 1 327.371 2.688 20 10 EFCDMO COC[C@@]12CCCO[C@@H]1CC[N@H+](Cc1c(O)ccc(F)c1F)C2 ZINC001233333688 1312906225 /nfs/dbraw/zinc/90/62/25/1312906225.db2.gz DVDCCWIYPLJMQQ-WBVHZDCISA-N 1 1 327.371 2.688 20 10 EFCDMO COC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1c(O)ccc(F)c1F)C2 ZINC001233333688 1312906228 /nfs/dbraw/zinc/90/62/28/1312906228.db2.gz DVDCCWIYPLJMQQ-WBVHZDCISA-N 1 1 327.371 2.688 20 10 EFCDMO Oc1ccc(F)c(F)c1C[N@@H+]1CC[C@@]2(C[C@@H](OCC3CC3)CO2)C1 ZINC001233334809 1312906874 /nfs/dbraw/zinc/90/68/74/1312906874.db2.gz URCBNYWBMOVXIH-FZKQIMNGSA-N 1 1 339.382 2.830 20 10 EFCDMO Oc1ccc(F)c(F)c1C[N@H+]1CC[C@@]2(C[C@@H](OCC3CC3)CO2)C1 ZINC001233334809 1312906877 /nfs/dbraw/zinc/90/68/77/1312906877.db2.gz URCBNYWBMOVXIH-FZKQIMNGSA-N 1 1 339.382 2.830 20 10 EFCDMO Cn1ncc2c1CCC[N@@H+](Cc1ccc(Br)cc1O)C2 ZINC000826120685 1292230728 /nfs/dbraw/zinc/23/07/28/1292230728.db2.gz HNXZETYKVNOODJ-UHFFFAOYSA-N 1 1 336.233 2.837 20 10 EFCDMO Cn1ncc2c1CCC[N@H+](Cc1ccc(Br)cc1O)C2 ZINC000826120685 1292230723 /nfs/dbraw/zinc/23/07/23/1292230723.db2.gz HNXZETYKVNOODJ-UHFFFAOYSA-N 1 1 336.233 2.837 20 10 EFCDMO Oc1c(C[NH+]2CCC3(C[C@@H](O)CO3)CC2)cccc1C(F)(F)F ZINC001233416670 1312928099 /nfs/dbraw/zinc/92/80/99/1312928099.db2.gz QZIWIWQGCBIJLR-GFCCVEGCSA-N 1 1 331.334 2.527 20 10 EFCDMO CCOC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3cccc(C(F)(F)F)c3O)C[C@@H]21 ZINC001233419096 1312928724 /nfs/dbraw/zinc/92/87/24/1312928724.db2.gz JEFGQAXLJLPWBJ-PJXYFTJBSA-N 1 1 329.318 2.652 20 10 EFCDMO CCOC(=O)[C@H]1[C@@H]2C[N@H+](Cc3cccc(C(F)(F)F)c3O)C[C@@H]21 ZINC001233419096 1312928728 /nfs/dbraw/zinc/92/87/28/1312928728.db2.gz JEFGQAXLJLPWBJ-PJXYFTJBSA-N 1 1 329.318 2.652 20 10 EFCDMO CN1CC2(CC1=O)CC[NH+](Cc1cccc(C(F)(F)F)c1O)CC2 ZINC001233418940 1312928752 /nfs/dbraw/zinc/92/87/52/1312928752.db2.gz CILLGMKGYSQSKU-UHFFFAOYSA-N 1 1 342.361 2.855 20 10 EFCDMO O=C1CC[N@@H+](Cc2cccc(C(F)(F)F)c2O)C[C@@H]2CCCN12 ZINC001233420084 1312928926 /nfs/dbraw/zinc/92/89/26/1312928926.db2.gz YWOIJOPCRMLRSK-LBPRGKRZSA-N 1 1 328.334 2.608 20 10 EFCDMO O=C1CC[N@H+](Cc2cccc(C(F)(F)F)c2O)C[C@@H]2CCCN12 ZINC001233420084 1312928929 /nfs/dbraw/zinc/92/89/29/1312928929.db2.gz YWOIJOPCRMLRSK-LBPRGKRZSA-N 1 1 328.334 2.608 20 10 EFCDMO Oc1cc(C(F)(F)F)ccc1C[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC001233454885 1312934938 /nfs/dbraw/zinc/93/49/38/1312934938.db2.gz NQTYGCOJSMQAIN-CYBMUJFWSA-N 1 1 326.322 2.840 20 10 EFCDMO OC[C@@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2O)CCC1(F)F ZINC001233452316 1312935048 /nfs/dbraw/zinc/93/50/48/1312935048.db2.gz RBAXIQGXUPHYDO-NSHDSACASA-N 1 1 325.277 2.861 20 10 EFCDMO O=C1NCC[C@]12CCC[N@H+](Cc1ccc(C(F)(F)F)cc1O)C2 ZINC001233452780 1312935241 /nfs/dbraw/zinc/93/52/41/1312935241.db2.gz JZYSKESOOQZZEO-HNNXBMFYSA-N 1 1 328.334 2.513 20 10 EFCDMO Oc1cc(C(F)(F)F)ccc1C[NH+]1CC(N2CCC(F)(F)C2)C1 ZINC001233455134 1312935278 /nfs/dbraw/zinc/93/52/78/1312935278.db2.gz XQBKVWMBDKJENB-UHFFFAOYSA-N 1 1 336.304 2.936 20 10 EFCDMO Oc1cc(C(F)(F)F)ccc1C[N@H+]1CC[C@H](Oc2cnccn2)C1 ZINC001233455437 1312935734 /nfs/dbraw/zinc/93/57/34/1312935734.db2.gz LDCWBECFOHUAQP-ZDUSSCGKSA-N 1 1 339.317 2.854 20 10 EFCDMO O=C1CC[N@H+](Cc2ccc(C(F)(F)F)cc2O)C[C@H]2CCCN12 ZINC001233455281 1312936273 /nfs/dbraw/zinc/93/62/73/1312936273.db2.gz DNXGGCINDRVREK-CYBMUJFWSA-N 1 1 328.334 2.608 20 10 EFCDMO CCOC(=O)[C@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2O)CCS1 ZINC001233455475 1312936303 /nfs/dbraw/zinc/93/63/03/1312936303.db2.gz MHWODCLPFMSPHD-CYBMUJFWSA-N 1 1 349.374 2.892 20 10 EFCDMO COCCCNC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000128553360 1292584087 /nfs/dbraw/zinc/58/40/87/1292584087.db2.gz ZVFLNMREPOZDLT-QGZVFWFLSA-N 1 1 347.503 2.650 20 10 EFCDMO CN(Cc1cc(O)c(O)cc1O)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001233486379 1312940222 /nfs/dbraw/zinc/94/02/22/1312940222.db2.gz LAKGLXVGMYITQS-INIZCTEOSA-N 1 1 342.439 2.757 20 10 EFCDMO Oc1cc(O)c(C[NH+]2CCN(c3ccccc3Cl)CC2)cc1O ZINC001233485653 1312940384 /nfs/dbraw/zinc/94/03/84/1312940384.db2.gz FVYANMTUJGWOLK-UHFFFAOYSA-N 1 1 334.803 2.779 20 10 EFCDMO COC(=O)C[C@H](C)[N@@H+](Cc1ccccc1)Cc1cc(O)c(O)cc1O ZINC001233486756 1312940685 /nfs/dbraw/zinc/94/06/85/1312940685.db2.gz ALJHOTLSZZOOAR-ZDUSSCGKSA-N 1 1 345.395 2.757 20 10 EFCDMO C[C@@H](c1ccc(F)cc1)N1CC[NH+](Cc2cc(O)c(O)cc2O)CC1 ZINC001233487858 1312941180 /nfs/dbraw/zinc/94/11/80/1312941180.db2.gz VBSQCRBTCLUITP-ZDUSSCGKSA-N 1 1 346.402 2.821 20 10 EFCDMO C[C@@H](c1ccc(F)cc1)[NH+]1CCN(Cc2cc(O)c(O)cc2O)CC1 ZINC001233487858 1312941183 /nfs/dbraw/zinc/94/11/83/1312941183.db2.gz VBSQCRBTCLUITP-ZDUSSCGKSA-N 1 1 346.402 2.821 20 10 EFCDMO COC(=O)[C@H]1CC[N@@H+](Cc2cc(O)c(O)cc2O)[C@H]1c1ccccc1 ZINC001233487990 1312941209 /nfs/dbraw/zinc/94/12/09/1312941209.db2.gz ZSDFPJKAFCMEBO-KSSFIOAISA-N 1 1 343.379 2.540 20 10 EFCDMO CC[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1cc(Cl)ccc1[O-] ZINC000775502210 1292789960 /nfs/dbraw/zinc/78/99/60/1292789960.db2.gz QHRILCPMGPSQSA-XJKSGUPXSA-N 1 1 325.884 2.722 20 10 EFCDMO CN1C[C@H](COCC2CC2)[C@]2(CC[N@H+](Cc3ccccc3O)C2)C1 ZINC001203551834 1312954319 /nfs/dbraw/zinc/95/43/19/1312954319.db2.gz PUYASRLWKRZNTC-UYAOXDASSA-N 1 1 330.472 2.573 20 10 EFCDMO CN1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](Cc3ccccc3O)C2)C1 ZINC001203551834 1312954322 /nfs/dbraw/zinc/95/43/22/1312954322.db2.gz PUYASRLWKRZNTC-UYAOXDASSA-N 1 1 330.472 2.573 20 10 EFCDMO CO[C@@H](C[NH+]1CCN(Cc2ccccc2O)CC1)c1ccccc1 ZINC001203558640 1312956362 /nfs/dbraw/zinc/95/63/62/1312956362.db2.gz RSOJHLZTBZQXCJ-FQEVSTJZSA-N 1 1 326.440 2.898 20 10 EFCDMO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2O)C1)c1cccc(F)c1 ZINC001203561734 1312956769 /nfs/dbraw/zinc/95/67/69/1312956769.db2.gz YOKNUNXWQXQQSE-QGZVFWFLSA-N 1 1 328.387 2.926 20 10 EFCDMO COc1cccc(C[N@H+]2CCCN(c3ccc(F)cn3)CC2)c1O ZINC001203585010 1312962886 /nfs/dbraw/zinc/96/28/86/1312962886.db2.gz KXSCDUQIBSEVTM-UHFFFAOYSA-N 1 1 331.391 2.647 20 10 EFCDMO C[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)Cc1ccccc1O ZINC000129063840 1292919031 /nfs/dbraw/zinc/91/90/31/1292919031.db2.gz JDQBLGZEAUDJTI-UHFFFAOYSA-N 1 1 347.346 2.900 20 10 EFCDMO COc1cccc(C[N@H+]2C[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@H]32)c1O ZINC001203590284 1312965084 /nfs/dbraw/zinc/96/50/84/1312965084.db2.gz VSVKKGQKZOXBNN-LSDHHAIUSA-N 1 1 348.443 2.842 20 10 EFCDMO COc1cccc(C[N@H+]2CC[C@H]3O[C@@H](c4nc(C)no4)CC[C@H]32)c1O ZINC001203591582 1312965372 /nfs/dbraw/zinc/96/53/72/1312965372.db2.gz JQIQEFMAXFSURK-IIAWOOMASA-N 1 1 345.399 2.587 20 10 EFCDMO COc1cccc(C[N@H+]2CC[C@@]3(C2)c2ccccc2N(C)C3=O)c1O ZINC001203593869 1312965649 /nfs/dbraw/zinc/96/56/49/1312965649.db2.gz QXLACPUVWPPSPV-HXUWFJFHSA-N 1 1 338.407 2.521 20 10 EFCDMO COc1cccc(C[N@@H+](Cc2cccnc2)C2CCOCC2)c1O ZINC001203595922 1312966271 /nfs/dbraw/zinc/96/62/71/1312966271.db2.gz RAQKDFMKUIZKES-UHFFFAOYSA-N 1 1 328.412 2.977 20 10 EFCDMO COc1cccc(C[NH+]2CCN(c3ccc(C(C)=O)cc3)CC2)c1O ZINC001203596535 1312966483 /nfs/dbraw/zinc/96/64/83/1312966483.db2.gz HUHUJERRGAGOEH-UHFFFAOYSA-N 1 1 340.423 2.926 20 10 EFCDMO COc1cccc(C[N@H+]2CCC[C@@H](Oc3ncncc3C)C2)c1O ZINC001203601703 1312967262 /nfs/dbraw/zinc/96/72/62/1312967262.db2.gz HQKOFFLWWWKFDF-OAHLLOKOSA-N 1 1 329.400 2.543 20 10 EFCDMO CCOc1cccc(C[N@H+]2CCC[C@@H](C(F)(F)F)[C@H]2CO)c1O ZINC001203602499 1312968206 /nfs/dbraw/zinc/96/82/06/1312968206.db2.gz ZULPVUMTEPHFBW-CHWSQXEVSA-N 1 1 333.350 2.926 20 10 EFCDMO 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2.985 20 10 EFCDMO COc1ccc(C[N@H+]2CCCN(c3ncccc3C)CC2)c(O)c1 ZINC001203628547 1312975558 /nfs/dbraw/zinc/97/55/58/1312975558.db2.gz BCWVSVGSUZEVPI-UHFFFAOYSA-N 1 1 327.428 2.817 20 10 EFCDMO COc1ccc(C[N@H+]2CCC[C@@H](Oc3ncncc3C)C2)c(O)c1 ZINC001203635441 1312977249 /nfs/dbraw/zinc/97/72/49/1312977249.db2.gz VBQAGFFEIFKBAO-MRXNPFEDSA-N 1 1 329.400 2.543 20 10 EFCDMO COC(=O)[C@H](Cc1ccccc1)[N@H+](C)Cc1ccc(OC)cc1O ZINC001203634879 1312977723 /nfs/dbraw/zinc/97/77/23/1312977723.db2.gz ZJWLZKQQMPOWCG-KRWDZBQOSA-N 1 1 329.396 2.617 20 10 EFCDMO COC(=O)[C@H](Cc1ccccc1)[N@@H+](C)Cc1ccc(OC)cc1O ZINC001203634879 1312977726 /nfs/dbraw/zinc/97/77/26/1312977726.db2.gz ZJWLZKQQMPOWCG-KRWDZBQOSA-N 1 1 329.396 2.617 20 10 EFCDMO Oc1ccc(Br)cc1C[N@H+]1CCC[C@@](O)(CF)CC1 ZINC001203636037 1312977866 /nfs/dbraw/zinc/97/78/66/1312977866.db2.gz NPVRXFIOSUTGKR-AWEZNQCLSA-N 1 1 332.213 2.841 20 10 EFCDMO OC[C@H]1CN(Cc2cc(Cl)ccc2O)CC[N@@H+]1Cc1ccccc1 ZINC001203648088 1312979657 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COc1ccc(O)c(C[N@H+]2CC[C@@H](F)[C@](O)(C(F)(F)F)CC2)c1 ZINC001203670290 1312985299 /nfs/dbraw/zinc/98/52/99/1312985299.db2.gz MKZWYKBHISVBTQ-KGLIPLIRSA-N 1 1 337.313 2.628 20 10 EFCDMO COc1ccc(O)c(C[N@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]32)c1 ZINC001203671070 1312985674 /nfs/dbraw/zinc/98/56/74/1312985674.db2.gz IPTAEAPAQHYYFI-ZBFHGGJFSA-N 1 1 348.443 2.842 20 10 EFCDMO COc1ccc(O)c(C[N@H+]2CCC[C@@]3(C2)COCCN(C(C)C)C3)c1 ZINC001203671140 1312986088 /nfs/dbraw/zinc/98/60/88/1312986088.db2.gz KMZWYXTWMWKMQK-FQEVSTJZSA-N 1 1 348.487 2.724 20 10 EFCDMO COc1ccc(O)c(CN2CCC[C@@]3(C2)COCC[N@@H+](C(C)C)C3)c1 ZINC001203671140 1312986093 /nfs/dbraw/zinc/98/60/93/1312986093.db2.gz KMZWYXTWMWKMQK-FQEVSTJZSA-N 1 1 348.487 2.724 20 10 EFCDMO COc1ccc(O)c(CN2CCC[C@@]3(C2)COCC[N@H+](C(C)C)C3)c1 ZINC001203671140 1312986097 /nfs/dbraw/zinc/98/60/97/1312986097.db2.gz KMZWYXTWMWKMQK-FQEVSTJZSA-N 1 1 348.487 2.724 20 10 EFCDMO COc1ccc(O)c(C[N@@H+]2CCC[C@H]3[C@H]2CN3C(=O)OC(C)(C)C)c1 ZINC001203671754 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EFCDMO COc1ccc(O)c(C[N@H+]2CC[C@]3(CCCN3C(=O)C(C)C)C2)c1 ZINC001203674761 1312987023 /nfs/dbraw/zinc/98/70/23/1312987023.db2.gz APRDNSIFQHATID-LJQANCHMSA-N 1 1 332.444 2.624 20 10 EFCDMO COc1ccc(O)c(C[N@H+]2CCC[C@@H](Oc3ncc(C)cn3)C2)c1 ZINC001203684159 1312989349 /nfs/dbraw/zinc/98/93/49/1312989349.db2.gz NSMFAGTZQXFKTN-MRXNPFEDSA-N 1 1 329.400 2.543 20 10 EFCDMO COc1ccc(O)c(C[N@H+]2C[C@@H](NC(=O)OC(C)(C)C)C[C@H]2C)c1 ZINC001203683986 1312989710 /nfs/dbraw/zinc/98/97/10/1312989710.db2.gz HTXDHUVJSOXQCL-OCCSQVGLSA-N 1 1 336.432 2.888 20 10 EFCDMO COC(=O)[C@]1(C)CC[N@@H+](Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001233775917 1312990022 /nfs/dbraw/zinc/99/00/22/1312990022.db2.gz GIKLZJANZNUXAO-CQSZACIVSA-N 1 1 333.306 2.676 20 10 EFCDMO CC(C)(C)C(=O)N1CCC([NH2+]Cc2cc(F)cc(F)c2O)CC1 ZINC000882891069 1293372403 /nfs/dbraw/zinc/37/24/03/1293372403.db2.gz NBSSXSXJBTULMX-UHFFFAOYSA-N 1 1 326.387 2.797 20 10 EFCDMO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cc(O)c(O)c(Cl)c1 ZINC001193626544 1293374304 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C[C@@H]1C[N@H+](C)[C@@H](C)CN1Cc1cc(F)cc(Br)c1O ZINC001235293539 1313283554 /nfs/dbraw/zinc/28/35/54/1313283554.db2.gz INVASCZFYZMZMQ-VHSXEESVSA-N 1 1 331.229 2.818 20 10 EFCDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1Cc1cc(F)cc(Br)c1O ZINC001235293539 1313283557 /nfs/dbraw/zinc/28/35/57/1313283557.db2.gz INVASCZFYZMZMQ-VHSXEESVSA-N 1 1 331.229 2.818 20 10 EFCDMO Oc1c(Br)cc(Cl)cc1CN1CCC[C@@H]2[NH2+]C[C@H]21 ZINC001235297063 1313283861 /nfs/dbraw/zinc/28/38/61/1313283861.db2.gz LKGGPTSCVYCXTQ-NWDGAFQWSA-N 1 1 331.641 2.744 20 10 EFCDMO CC[N@@H+]1CCCN(Cc2cc(F)cc(Br)c2O)CC1 ZINC001235296625 1313284137 /nfs/dbraw/zinc/28/41/37/1313284137.db2.gz LYHDLVVJQJOTBX-UHFFFAOYSA-N 1 1 331.229 2.821 20 10 EFCDMO CC[N@H+]1CCCN(Cc2cc(F)cc(Br)c2O)CC1 ZINC001235296625 1313284141 /nfs/dbraw/zinc/28/41/41/1313284141.db2.gz LYHDLVVJQJOTBX-UHFFFAOYSA-N 1 1 331.229 2.821 20 10 EFCDMO Oc1c(Br)cc(F)cc1CN1CC[NH+](CC2CC2)CC1 ZINC001235302253 1313285603 /nfs/dbraw/zinc/28/56/03/1313285603.db2.gz NPCSPRXBMHRWAJ-UHFFFAOYSA-N 1 1 343.240 2.821 20 10 EFCDMO C[N@@H+]1C[C@H]2CCCN(Cc3cc(F)cc(Br)c3O)[C@H]2C1 ZINC001235301078 1313285915 /nfs/dbraw/zinc/28/59/15/1313285915.db2.gz CJZFNNGJIHYQDG-YGRLFVJLSA-N 1 1 343.240 2.820 20 10 EFCDMO C[N@H+]1C[C@H]2CCCN(Cc3cc(F)cc(Br)c3O)[C@H]2C1 ZINC001235301078 1313285918 /nfs/dbraw/zinc/28/59/18/1313285918.db2.gz CJZFNNGJIHYQDG-YGRLFVJLSA-N 1 1 343.240 2.820 20 10 EFCDMO COc1cc([C@@H](C)[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)on1 ZINC000924796784 1296783749 /nfs/dbraw/zinc/78/37/49/1296783749.db2.gz WYSWBQRQICRVQK-ZIAGYGMSSA-N 1 1 331.416 2.932 20 10 EFCDMO [NH3+]C[C@@]1(F)CCC[N@H+](Cc2cc(Br)ccc2[O-])CC1 ZINC001205545827 1313310202 /nfs/dbraw/zinc/31/02/02/1313310202.db2.gz NQOKRWYEEBFSGP-CQSZACIVSA-N 1 1 331.229 2.808 20 10 EFCDMO [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2cc(Br)ccc2[O-])CC1 ZINC001205545827 1313310206 /nfs/dbraw/zinc/31/02/06/1313310206.db2.gz NQOKRWYEEBFSGP-CQSZACIVSA-N 1 1 331.229 2.808 20 10 EFCDMO C[C@H]1CC[N@H+](Cc2c([O-])cccc2Br)CC[C@H]1C[NH3+] ZINC001205626715 1313325776 /nfs/dbraw/zinc/32/57/76/1313325776.db2.gz IJOGNDCUEKQBAN-RYUDHWBXSA-N 1 1 327.266 2.962 20 10 EFCDMO C[C@H]1CC[N@@H+](Cc2c([O-])cccc2Br)CC[C@H]1C[NH3+] ZINC001205626715 1313325779 /nfs/dbraw/zinc/32/57/79/1313325779.db2.gz IJOGNDCUEKQBAN-RYUDHWBXSA-N 1 1 327.266 2.962 20 10 EFCDMO COc1ccc2ccc(O)c(C[N@H+]3CCC[C@]34CCN(C)C4=O)c2c1 ZINC001273904151 1297053787 /nfs/dbraw/zinc/05/37/87/1297053787.db2.gz BGBRGUNQIWQECX-HXUWFJFHSA-N 1 1 340.423 2.751 20 10 EFCDMO CC(C)[N@H+]1CCC[C@@]2(CC(=O)N(Cc3ccc(N(C)C)cc3)C2=O)C1 ZINC001273924230 1297209138 /nfs/dbraw/zinc/20/91/38/1297209138.db2.gz GMIMOPXKQIPAPI-HXUWFJFHSA-N 1 1 343.471 2.502 20 10 EFCDMO Nc1ccc(CN2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)cc1 ZINC001235599365 1313358147 /nfs/dbraw/zinc/35/81/47/1313358147.db2.gz YJPIFRFKFXPFGP-QUCCMNQESA-N 1 1 341.430 2.745 20 10 EFCDMO Nc1ccc(C[N@@H+]2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)cc1 ZINC001235599365 1313358151 /nfs/dbraw/zinc/35/81/51/1313358151.db2.gz YJPIFRFKFXPFGP-QUCCMNQESA-N 1 1 341.430 2.745 20 10 EFCDMO Nc1ccc(C[N@H+]2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)cc1 ZINC001235599365 1313358154 /nfs/dbraw/zinc/35/81/54/1313358154.db2.gz YJPIFRFKFXPFGP-QUCCMNQESA-N 1 1 341.430 2.745 20 10 EFCDMO Nc1ccc(CN2CCCn3cnc(C[NH2+]C4CCCC4)c3C2)cc1 ZINC001235649789 1313366786 /nfs/dbraw/zinc/36/67/86/1313366786.db2.gz UAAHMMBDPMBJOY-UHFFFAOYSA-N 1 1 339.487 2.903 20 10 EFCDMO CCO[C@@H]1C[C@H]2CN(Cc3ccc(C(C)(C)C)cc3O)CC[N@H+]2C1 ZINC001235681014 1313373139 /nfs/dbraw/zinc/37/31/39/1313373139.db2.gz YQKOFMFLJIFLTB-ZWKOTPCHSA-N 1 1 332.488 2.985 20 10 EFCDMO CCO[C@@H]1C[C@H]2C[N@H+](Cc3ccc(C(C)(C)C)cc3O)CCN2C1 ZINC001235681014 1313373143 /nfs/dbraw/zinc/37/31/43/1313373143.db2.gz YQKOFMFLJIFLTB-ZWKOTPCHSA-N 1 1 332.488 2.985 20 10 EFCDMO CCO[C@@H]1C[C@H]2C[N@@H+](Cc3ccc(C(C)(C)C)cc3O)CCN2C1 ZINC001235681014 1313373145 /nfs/dbraw/zinc/37/31/45/1313373145.db2.gz YQKOFMFLJIFLTB-ZWKOTPCHSA-N 1 1 332.488 2.985 20 10 EFCDMO CC(C)(C)c1ccc(C[NH+]2CCN(C3CCOCC3)CC2)c(O)c1 ZINC001235683394 1313374203 /nfs/dbraw/zinc/37/42/03/1313374203.db2.gz FOPULENOSAWJLR-UHFFFAOYSA-N 1 1 332.488 2.986 20 10 EFCDMO C[C@H]1[C@H](C[NH3+])CCCN1Cc1c(O)cc(Br)cc1F ZINC001205913557 1313375348 /nfs/dbraw/zinc/37/53/48/1313375348.db2.gz JBHYLRMOKWJGHP-UWVGGRQHSA-N 1 1 331.229 2.853 20 10 EFCDMO CC(C)(C)c1ccc(CN2CC[NH+](C[C@@H]3CCCO3)CC2)c(O)c1 ZINC001235686045 1313375439 /nfs/dbraw/zinc/37/54/39/1313375439.db2.gz WSYPIJIYNBOKRM-SFHVURJKSA-N 1 1 332.488 2.986 20 10 EFCDMO COc1ccc2c(c1)c1c(n2C)CCN(CC2(C)CC[NH2+]CC2)C1 ZINC001235839210 1313406674 /nfs/dbraw/zinc/40/66/74/1313406674.db2.gz NFNNBHCDTMLTSG-UHFFFAOYSA-N 1 1 327.472 2.935 20 10 EFCDMO Fc1ccc2c(c1)CN(Cc1ccc(N3CC[NH2+]CC3)cc1)CC2 ZINC001235905932 1313416393 /nfs/dbraw/zinc/41/63/93/1313416393.db2.gz KHBCBYCUFMBQBP-UHFFFAOYSA-N 1 1 325.431 2.794 20 10 EFCDMO [NH3+][C@H]1CCN(Cc2cc(Br)cc(F)c2O)CC[C@@H]1F ZINC001206201002 1313419535 /nfs/dbraw/zinc/41/95/35/1313419535.db2.gz VEAZBWWUVBJOFQ-JQWIXIFHSA-N 1 1 335.192 2.555 20 10 EFCDMO COc1cc(C[NH+]2CCN(C(=O)OC(C)(C)C)CC2)c(O)cc1C ZINC000159596122 1297759050 /nfs/dbraw/zinc/75/90/50/1297759050.db2.gz LWWCTCGVFBOXMK-UHFFFAOYSA-N 1 1 336.432 2.762 20 10 EFCDMO Cc1ccc(C)n1-c1ccc(C[N@H+]2CC[C@H]3COC[C@@H](C2)N3)cc1 ZINC001235998330 1313429701 /nfs/dbraw/zinc/42/97/01/1313429701.db2.gz YDKHNDQHWZVJGJ-RBUKOAKNSA-N 1 1 325.456 2.657 20 10 EFCDMO Cc1ccc(C)n1-c1ccc(CN2CC[C@H]3COC[C@@H](C2)[NH2+]3)cc1 ZINC001235998330 1313429704 /nfs/dbraw/zinc/42/97/04/1313429704.db2.gz YDKHNDQHWZVJGJ-RBUKOAKNSA-N 1 1 325.456 2.657 20 10 EFCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@@](N)(C(F)(F)F)C2)c(O)c1 ZINC001206239049 1313424625 /nfs/dbraw/zinc/42/46/25/1313424625.db2.gz XWRJWFPJISIWKH-HNNXBMFYSA-N 1 1 331.382 2.704 20 10 EFCDMO CCN(Cc1c(O)cc(Br)cc1F)[C@@H]1CCC[NH2+]C1 ZINC001236011698 1313431741 /nfs/dbraw/zinc/43/17/41/1313431741.db2.gz ZOXHNSRJNMFPDE-LLVKDONJSA-N 1 1 331.229 2.868 20 10 EFCDMO CCN(Cc1c(O)cc(Br)cc1F)[C@H]1CCC[NH2+]C1 ZINC001236011702 1313431775 /nfs/dbraw/zinc/43/17/75/1313431775.db2.gz ZOXHNSRJNMFPDE-NSHDSACASA-N 1 1 331.229 2.868 20 10 EFCDMO [NH3+]C[C@]1(F)CCCCN(Cc2cc(F)cc(Br)c2O)C1 ZINC001206372261 1313443478 /nfs/dbraw/zinc/44/34/78/1313443478.db2.gz ZLBNJNZLZBPGLS-CQSZACIVSA-N 1 1 349.219 2.947 20 10 EFCDMO CCC[C@@H]1C[NH2+]CCN1Cc1cc(F)cc(Br)c1O ZINC001236132140 1313445445 /nfs/dbraw/zinc/44/54/45/1313445445.db2.gz DZTLWHVZSXLJQR-GFCCVEGCSA-N 1 1 331.229 2.868 20 10 EFCDMO CCCC[C@@H]1CN(Cc2ccc(N3CCN(C)CC3)cc2F)CC[NH2+]1 ZINC001236141772 1313446278 /nfs/dbraw/zinc/44/62/78/1313446278.db2.gz MCVCBADWZFXOPP-GOSISDBHSA-N 1 1 348.510 2.542 20 10 EFCDMO CN(Cc1c(O)cc(Br)cc1F)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236213493 1313456710 /nfs/dbraw/zinc/45/67/10/1313456710.db2.gz BBIKPFSARBDUAJ-CHWSQXEVSA-N 1 1 331.229 2.996 20 10 EFCDMO CCC[C@H]1CN(Cc2cc(F)cc(Br)c2O)CC[NH2+]1 ZINC001236179890 1313452215 /nfs/dbraw/zinc/45/22/15/1313452215.db2.gz XOWREQLWOIULAK-LBPRGKRZSA-N 1 1 331.229 2.868 20 10 EFCDMO CN(Cc1cc(Br)cc(F)c1O)[C@@]1(C)CCC[NH2+]C1 ZINC001236207744 1313455667 /nfs/dbraw/zinc/45/56/67/1313455667.db2.gz RRIAIZBXEAMRIU-AWEZNQCLSA-N 1 1 331.229 2.868 20 10 EFCDMO CN(Cc1c(O)cc(Br)cc1F)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236213497 1313456745 /nfs/dbraw/zinc/45/67/45/1313456745.db2.gz BBIKPFSARBDUAJ-QWHCGFSZSA-N 1 1 331.229 2.996 20 10 EFCDMO CCCN(Cc1c(O)cc(Br)cc1F)[C@H]1CC[NH2+]C1 ZINC001236325014 1313469672 /nfs/dbraw/zinc/46/96/72/1313469672.db2.gz WSYAIQDRGBIGLL-NSHDSACASA-N 1 1 331.229 2.868 20 10 EFCDMO CCCCN(CCCC)c1ccc(C[N@@H+]2C[C@@H](N)C[C@@H]2CO)c(O)c1 ZINC001236424907 1313478961 /nfs/dbraw/zinc/47/89/61/1313478961.db2.gz ZFCSXYNCJCMWMN-PKOBYXMFSA-N 1 1 349.519 2.693 20 10 EFCDMO CCCCN(CCCC)c1ccc(C[N@H+]2C[C@@H](N)C[C@@H]2CO)c(O)c1 ZINC001236424907 1313478962 /nfs/dbraw/zinc/47/89/62/1313478962.db2.gz ZFCSXYNCJCMWMN-PKOBYXMFSA-N 1 1 349.519 2.693 20 10 EFCDMO CC(C)N(Cc1c(O)cc(Br)cc1F)[C@H]1CC[NH2+]C1 ZINC001236528004 1313488918 /nfs/dbraw/zinc/48/89/18/1313488918.db2.gz JESQVAAWCLKCCA-NSHDSACASA-N 1 1 331.229 2.866 20 10 EFCDMO CC(C)N(Cc1cc(Br)c(F)cc1O)[C@H]1CC[NH2+]C1 ZINC001236531173 1313488923 /nfs/dbraw/zinc/48/89/23/1313488923.db2.gz VRIRCZVROFERGM-NSHDSACASA-N 1 1 331.229 2.866 20 10 EFCDMO Oc1cc(F)c(Br)cc1CN(C1CC1)[C@@H]1CC[NH2+]C1 ZINC001236529900 1313489011 /nfs/dbraw/zinc/48/90/11/1313489011.db2.gz YQUCYEJVMFQBIQ-LLVKDONJSA-N 1 1 329.213 2.620 20 10 EFCDMO Cc1cc(Br)c(O)c(CN2CCC[C@@H]3C[N@H+](C)C[C@H]32)c1 ZINC001236666923 1313505671 /nfs/dbraw/zinc/50/56/71/1313505671.db2.gz XKFNJVBEITYWGF-IUODEOHRSA-N 1 1 339.277 2.989 20 10 EFCDMO Cc1cc(Br)c(O)c(C[N@H+]2C[C@H]3OC[C@@H](C)[C@H]3C2)c1 ZINC001236668944 1313506354 /nfs/dbraw/zinc/50/63/54/1313506354.db2.gz KFFPIKAJCLLIDP-MPKXVKKWSA-N 1 1 326.234 2.930 20 10 EFCDMO Cc1cc(Br)c(O)c(C[N@@H+]2C[C@H]3OC[C@@H](C)[C@H]3C2)c1 ZINC001236668944 1313506357 /nfs/dbraw/zinc/50/63/57/1313506357.db2.gz KFFPIKAJCLLIDP-MPKXVKKWSA-N 1 1 326.234 2.930 20 10 EFCDMO COC(=O)C[C@H]1CC[N@H+](Cc2cc(C)cc(Br)c2O)C1 ZINC001236668612 1313506653 /nfs/dbraw/zinc/50/66/53/1313506653.db2.gz CXHHXYBASPKUJL-LLVKDONJSA-N 1 1 342.233 2.848 20 10 EFCDMO COC(=O)C[C@H]1CC[N@@H+](Cc2cc(C)cc(Br)c2O)C1 ZINC001236668612 1313506656 /nfs/dbraw/zinc/50/66/56/1313506656.db2.gz CXHHXYBASPKUJL-LLVKDONJSA-N 1 1 342.233 2.848 20 10 EFCDMO Cc1cc(Br)c(O)c(CN2CC[N@H+](C)C(C)(C)C2)c1 ZINC001236668262 1313506817 /nfs/dbraw/zinc/50/68/17/1313506817.db2.gz BKNLXRHDTVFDQC-UHFFFAOYSA-N 1 1 327.266 2.989 20 10 EFCDMO CC(=O)N1CCN(Cc2cc(C)cc(Br)c2[O-])C[C@H]1C ZINC001236670127 1313506926 /nfs/dbraw/zinc/50/69/26/1313506926.db2.gz UPYXUCOLBINNMI-LLVKDONJSA-N 1 1 341.249 2.516 20 10 EFCDMO COc1cc(C[NH+]2CC3(C2)CCCOC3)c(O)cc1Br ZINC001236744757 1313519966 /nfs/dbraw/zinc/51/99/66/1313519966.db2.gz CYJXSTOLUPMFSU-UHFFFAOYSA-N 1 1 342.233 2.776 20 10 EFCDMO COc1cc(C[N@H+]2CC[C@](C)(O)[C@@H](C)C2)c(O)cc1Br ZINC001236744697 1313520347 /nfs/dbraw/zinc/52/03/47/1313520347.db2.gz BQOCLZFTFNGSQN-BONVTDFDSA-N 1 1 344.249 2.756 20 10 EFCDMO CC(C)[N@@H+](C)[C@H]1CCN(Cc2cc(O)c(Br)cc2O)C1 ZINC001236763114 1313524804 /nfs/dbraw/zinc/52/48/04/1313524804.db2.gz WFAUIEDZCRNZAL-LBPRGKRZSA-N 1 1 343.265 2.775 20 10 EFCDMO COc1cc(C[N@H+]2CCC[C@@](C)(O)CC2)c(O)cc1Br ZINC001236745882 1313521138 /nfs/dbraw/zinc/52/11/38/1313521138.db2.gz TUAMNWZENWCZMJ-OAHLLOKOSA-N 1 1 344.249 2.900 20 10 EFCDMO COc1cc(C[N@H+]2CCC[C@@H](O)[C@H](C)C2)c(O)cc1Br ZINC001236744708 1313521330 /nfs/dbraw/zinc/52/13/30/1313521330.db2.gz BVXCVOZGGQVSLO-ZWNOBZJWSA-N 1 1 344.249 2.756 20 10 EFCDMO COc1cc(C[N@H+]2CCCC[C@H](O)C2)c(O)cc1Br ZINC001236748986 1313521672 /nfs/dbraw/zinc/52/16/72/1313521672.db2.gz XQMNCCXCVZWTRB-NSHDSACASA-N 1 1 330.222 2.510 20 10 EFCDMO O=C1CCC[C@H]2C[N@H+](Cc3cc(O)c(Br)cc3O)C[C@H]12 ZINC001236763744 1313524825 /nfs/dbraw/zinc/52/48/25/1313524825.db2.gz CCSJGYJBPWSYOI-ONGXEEELSA-N 1 1 340.217 2.661 20 10 EFCDMO 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COc1cc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)c(O)cc1O ZINC001231634506 1312536460 /nfs/dbraw/zinc/53/64/60/1312536460.db2.gz OENHLJVLPINJMS-UHFFFAOYSA-N 1 1 346.402 2.563 20 10 EFCDMO COc1cc(CN2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)c(O)cc1O ZINC001231637026 1312536908 /nfs/dbraw/zinc/53/69/08/1312536908.db2.gz DARJWTTWOOCFDE-HOTGVXAUSA-N 1 1 334.460 2.945 20 10 EFCDMO COc1cc(CN2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)c(O)cc1O ZINC001231637026 1312536910 /nfs/dbraw/zinc/53/69/10/1312536910.db2.gz DARJWTTWOOCFDE-HOTGVXAUSA-N 1 1 334.460 2.945 20 10 EFCDMO COc1cc(CN2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c(O)cc1O ZINC001231638772 1312537317 /nfs/dbraw/zinc/53/73/17/1312537317.db2.gz GDZPETMJAXFICX-HNNXBMFYSA-N 1 1 342.439 2.813 20 10 EFCDMO COc1cc(C[N@@H+]2CCN(Cc3ccccc3)[C@@H](C)C2)c(O)cc1O ZINC001231638772 1312537319 /nfs/dbraw/zinc/53/73/19/1312537319.db2.gz GDZPETMJAXFICX-HNNXBMFYSA-N 1 1 342.439 2.813 20 10 EFCDMO COc1cc(C[N@H+]2CCN(Cc3ccccc3)[C@@H](C)C2)c(O)cc1O ZINC001231638772 1312537321 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MUVKTOXHTOHUJV-FNHZYXHNSA-N 1 1 346.471 2.925 20 10 EFCDMO COc1cc(N(C)C)ccc1C[N@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC001231853702 1312575143 /nfs/dbraw/zinc/57/51/43/1312575143.db2.gz ODNTTXBHCQZJOS-OAHLLOKOSA-N 1 1 334.460 2.925 20 10 EFCDMO COc1cc(N(C)C)ccc1C[N@H+]1CC[C@]2(C1)CC(F)(F)CO2 ZINC001231855065 1312576007 /nfs/dbraw/zinc/57/60/07/1312576007.db2.gz PZDCJSUZRBUDLR-MRXNPFEDSA-N 1 1 326.387 2.761 20 10 EFCDMO COc1cc(N(C)C)ccc1C[N@@H+](C(C)C)[C@H]1CCN(C(C)=O)C1 ZINC001231857258 1312576125 /nfs/dbraw/zinc/57/61/25/1312576125.db2.gz HJMYVXJXJVBFAD-SFHVURJKSA-N 1 1 333.476 2.592 20 10 EFCDMO C[C@H]1C[N@@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)CC[C@]1(C)O ZINC001232194569 1312646405 /nfs/dbraw/zinc/64/64/05/1312646405.db2.gz JXPCRFOOITZGRZ-KSSFIOAISA-N 1 1 338.879 2.769 20 10 EFCDMO Clc1cc(C[N@H+]2CC[C@@]3(CCOC3)C2)ccc1N1CCOCC1 ZINC001232194229 1312646625 /nfs/dbraw/zinc/64/66/25/1312646625.db2.gz FRMKNYLWLPOOAQ-GOSISDBHSA-N 1 1 336.863 2.789 20 10 EFCDMO 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/nfs/dbraw/zinc/43/68/02/1316436802.db2.gz FNRRRFOWHKJIIR-RBUKOAKNSA-N 1 1 342.487 2.902 20 10 EFCDMO CCN(Cc1ccc(N(C)C)cc1)C(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC001262376866 1316465085 /nfs/dbraw/zinc/46/50/85/1316465085.db2.gz FCQHRFMBZMQXOV-INIZCTEOSA-N 1 1 332.492 2.626 20 10 EFCDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCc2ccc(N)cc2)C1 ZINC001262597241 1316474722 /nfs/dbraw/zinc/47/47/22/1316474722.db2.gz JFXFWEAUFWDKQW-KXBFYZLASA-N 1 1 338.455 2.904 20 10 EFCDMO Oc1cc2ccccc2cc1C[N@H+]1CC[C@H]2CN(Cc3cn[nH]c3)C[C@H]21 ZINC001279667138 1317352484 /nfs/dbraw/zinc/35/24/84/1317352484.db2.gz PTWIVINQIYRNQZ-AZUAARDMSA-N 1 1 348.450 2.975 20 10 EFCDMO CN(C)c1ccc(C[N@@H+]2CCc3cc(C(N)=O)[nH]c3C2)c2ccccc21 ZINC001279836633 1317398278 /nfs/dbraw/zinc/39/82/78/1317398278.db2.gz FEEAMPAZMKEPQJ-UHFFFAOYSA-N 1 1 348.450 2.891 20 10 EFCDMO CN(C)c1ccc(C[N@H+]2CCc3cc(C(N)=O)[nH]c3C2)c2ccccc21 ZINC001279836633 1317398289 /nfs/dbraw/zinc/39/82/89/1317398289.db2.gz FEEAMPAZMKEPQJ-UHFFFAOYSA-N 1 1 348.450 2.891 20 10 EFCDMO Cc1cc(CN2CC[NH+](Cc3ccc(N4CCCC4)cc3)CC2)no1 ZINC001319687175 1328950459 /nfs/dbraw/zinc/95/04/59/1328950459.db2.gz BCPWIQNLBKKMOL-UHFFFAOYSA-N 1 1 340.471 2.901 20 10 EFCDMO COC(=O)CC[N@H+](Cc1ccc(N2CCCC2)cc1)C[C@H]1CCCO1 ZINC001319707245 1328956307 /nfs/dbraw/zinc/95/63/07/1328956307.db2.gz NOBBHKLBVHVZFD-LJQANCHMSA-N 1 1 346.471 2.831 20 10 EFCDMO CSC[C@H]1CCC[N@H+]1Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001319717106 1328962782 /nfs/dbraw/zinc/96/27/82/1328962782.db2.gz LAMCANOFMGXJGO-MRXNPFEDSA-N 1 1 337.508 2.905 20 10 EFCDMO COc1ccc2ccc(O)c(C[N@@H+]3CC[S@](=O)[C@H](C)[C@H]3C)c2c1 ZINC000736597263 1321976808 /nfs/dbraw/zinc/97/68/08/1321976808.db2.gz WPVLBWHLBMXNIV-RFIQDPTOSA-N 1 1 333.453 2.895 20 10 EFCDMO COc1ccc2ccc(O)c(C[N@H+]3CC[S@](=O)[C@H](C)[C@H]3C)c2c1 ZINC000736597263 1321976816 /nfs/dbraw/zinc/97/68/16/1321976816.db2.gz WPVLBWHLBMXNIV-RFIQDPTOSA-N 1 1 333.453 2.895 20 10 EFCDMO COc1ccc2ccc(O)c(C[N@@H+]3CC[S@](=O)[C@@H](C)[C@H]3C)c2c1 ZINC000736597262 1321977420 /nfs/dbraw/zinc/97/74/20/1321977420.db2.gz WPVLBWHLBMXNIV-PSVOKBTDSA-N 1 1 333.453 2.895 20 10 EFCDMO COc1ccc2ccc(O)c(C[N@H+]3CC[S@](=O)[C@@H](C)[C@H]3C)c2c1 ZINC000736597262 1321977423 /nfs/dbraw/zinc/97/74/23/1321977423.db2.gz WPVLBWHLBMXNIV-PSVOKBTDSA-N 1 1 333.453 2.895 20 10 EFCDMO CN1CCN(c2ccc(C[N@@H+](C)C[C@@H]3CCCCO3)cc2F)CC1 ZINC001319948363 1329041861 /nfs/dbraw/zinc/04/18/61/1329041861.db2.gz SWGFXZRLDVGGPK-KRWDZBQOSA-N 1 1 335.467 2.578 20 10 EFCDMO CCOc1ccc(N2CC[NH+](Cc3ccnc(N(C)C)c3)CC2)cc1 ZINC001320383096 1329120488 /nfs/dbraw/zinc/12/04/88/1329120488.db2.gz VELKYQOCOQJUKV-UHFFFAOYSA-N 1 1 340.471 2.869 20 10 EFCDMO CN(C)c1ccc(CNC(=O)C[N@H+]2CC[C@@H]3CCCC[C@H]3C2)cc1 ZINC001324133198 1329602287 /nfs/dbraw/zinc/60/22/87/1329602287.db2.gz KWTUAKRBTLANCO-ROUUACIJSA-N 1 1 329.488 2.881 20 10 EFCDMO CS(=O)(=O)c1ccccc1C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001325582114 1329698720 /nfs/dbraw/zinc/69/87/20/1329698720.db2.gz OFXJPYHLBRRLMW-UHFFFAOYSA-N 1 1 344.480 2.980 20 10 EFCDMO COc1c(O)c(C[NH2+]CCCc2nc(C)cs2)ccc1[N+](=O)[O-] ZINC001326573944 1330320440 /nfs/dbraw/zinc/32/04/40/1330320440.db2.gz GJLXTLBLMSWRPD-UHFFFAOYSA-N 1 1 337.401 2.796 20 10 EFCDMO Oc1ccc2c(c1)C1(CC1)C[N@H+](Cc1cc3c(cc1O)OCO3)C2 ZINC001327631542 1330502217 /nfs/dbraw/zinc/50/22/17/1330502217.db2.gz FDINIOXNIKWAOO-UHFFFAOYSA-N 1 1 325.364 2.874 20 10 EFCDMO COC(=O)CC(C)(C)[N@@H+](C)Cc1ccc(Br)cc1O ZINC001328746376 1330625419 /nfs/dbraw/zinc/62/54/19/1330625419.db2.gz NWKWUMMVQYMUDW-UHFFFAOYSA-N 1 1 330.222 2.928 20 10 EFCDMO CCOc1ccc(N2CC[NH+](Cc3cc(C)nc(C)n3)CC2)cc1 ZINC001329875965 1330744851 /nfs/dbraw/zinc/74/48/51/1330744851.db2.gz HXTPDBWJBZXFRD-UHFFFAOYSA-N 1 1 326.444 2.814 20 10 EFCDMO COc1cc(C[NH2+]Cc2ccc(N3CCN(C)CC3)cc2)ccc1F ZINC001331538163 1330850128 /nfs/dbraw/zinc/85/01/28/1330850128.db2.gz WSZHKIZHEITZMF-UHFFFAOYSA-N 1 1 343.446 2.876 20 10 EFCDMO COCn1ncc(C)c1C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC001333632451 1331184502 /nfs/dbraw/zinc/18/45/02/1331184502.db2.gz GGVPGKYPURKMMI-KRWDZBQOSA-N 1 1 345.443 2.682 20 10 EFCDMO CC[C@H](F)C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC001335855971 1331410841 /nfs/dbraw/zinc/41/08/41/1331410841.db2.gz QBEBJVKTMPMVTE-KBPBESRZSA-N 1 1 328.815 2.874 20 10 EFCDMO Cc1cc(C(=O)NC[C@@H]2CCCC[N@@H+]2C)c(C)n1-c1ccccn1 ZINC001336204001 1331446227 /nfs/dbraw/zinc/44/62/27/1331446227.db2.gz RRIOEOBCNYZZEQ-INIZCTEOSA-N 1 1 326.444 2.703 20 10 EFCDMO Nc1ccc(C[N@H+]2CCCN(C(=O)c3cccc(F)c3)CC2)cc1 ZINC001336284783 1331454999 /nfs/dbraw/zinc/45/49/99/1331454999.db2.gz CWSODHGZJWZMCN-UHFFFAOYSA-N 1 1 327.403 2.756 20 10 EFCDMO Nc1cc(N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)nc[nH+]1 ZINC001336531149 1331481576 /nfs/dbraw/zinc/48/15/76/1331481576.db2.gz FOQWTHSHIRGUPM-NSHDSACASA-N 1 1 335.358 2.741 20 10 EFCDMO Nc1cc(N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)[nH+]cn1 ZINC001336531149 1331481579 /nfs/dbraw/zinc/48/15/79/1331481579.db2.gz FOQWTHSHIRGUPM-NSHDSACASA-N 1 1 335.358 2.741 20 10 EFCDMO CN1CCN(c2ccc(C[N@@H+](C)CCOC(C)(C)C)cc2F)CC1 ZINC001337042628 1331530601 /nfs/dbraw/zinc/53/06/01/1331530601.db2.gz OWSQILGQQYPXHL-UHFFFAOYSA-N 1 1 337.483 2.824 20 10 EFCDMO CCc1ccc(NCc2ccc(N3CCC(C(N)=O)CC3)cc2)[nH+]c1 ZINC001337957602 1331622428 /nfs/dbraw/zinc/62/24/28/1331622428.db2.gz TWDDKUUVNUVDSF-UHFFFAOYSA-N 1 1 338.455 2.958 20 10 EFCDMO C[C@@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001338734682 1331731286 /nfs/dbraw/zinc/73/12/86/1331731286.db2.gz FDCFWCYZCZDPGM-JXXFODFXSA-N 1 1 349.494 2.559 20 10 EFCDMO Cc1cc(=O)[nH]c(C=Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)n1 ZINC001342253073 1332324813 /nfs/dbraw/zinc/32/48/13/1332324813.db2.gz DVSLGRMRTBTPHK-GQCTYLIASA-N 1 1 328.391 2.552 20 10 EFCDMO CC[NH+](CC)CCOCC[NH2+]Cc1c([O-])cccc1Br ZINC001348098951 1332800079 /nfs/dbraw/zinc/80/00/79/1332800079.db2.gz AWARUEHEWOXPQY-UHFFFAOYSA-N 1 1 345.281 2.603 20 10 EFCDMO COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CC[C@H]3C[C@@H](C)C[N@H+]3C2)c1 ZINC001348141822 1332803390 /nfs/dbraw/zinc/80/33/90/1332803390.db2.gz ZLONYJCZDLXGCU-BARDWOONSA-N 1 1 332.444 2.698 20 10 EFCDMO C[C@@H]1C[C@@H]2CC[C@H](C(=O)N(C)Cc3ccc(N(C)C)cc3)C[N@H+]2C1 ZINC001350841940 1333140133 /nfs/dbraw/zinc/14/01/33/1333140133.db2.gz KHPWJFBCALISQN-AYBZRNKSSA-N 1 1 329.488 2.831 20 10 EFCDMO CN(C)c1ccc(CNC(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000847276598 1333471051 /nfs/dbraw/zinc/47/10/51/1333471051.db2.gz LQCRAGZSZSBOGU-MSOLQXFVSA-N 1 1 330.476 2.569 20 10 EFCDMO Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000847318486 1333541318 /nfs/dbraw/zinc/54/13/18/1333541318.db2.gz KDUDGXBYEIXHEG-RBUKOAKNSA-N 1 1 344.503 2.877 20 10 EFCDMO CN(C)c1ccc(CN(C)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000847443677 1333725588 /nfs/dbraw/zinc/72/55/88/1333725588.db2.gz URPCLJZGRQWJNF-MOPGFXCFSA-N 1 1 344.503 2.911 20 10 EFCDMO COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000847443897 1333725953 /nfs/dbraw/zinc/72/59/53/1333725953.db2.gz FYZCXCDBTADPHC-JQFCIGGWSA-N 1 1 347.459 2.778 20 10 EFCDMO CN(C)c1ccc(CN(C)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000847443681 1333726075 /nfs/dbraw/zinc/72/60/75/1333726075.db2.gz URPCLJZGRQWJNF-RTBURBONSA-N 1 1 344.503 2.911 20 10 EFCDMO O=C(NCc1cc(Cl)ccc1O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000847446623 1333730996 /nfs/dbraw/zinc/73/09/96/1333730996.db2.gz IHMNMDDEBPSOEU-GJZGRUSLSA-N 1 1 337.851 2.862 20 10 EFCDMO COc1cccc(CNC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1O ZINC000847589407 1333957766 /nfs/dbraw/zinc/95/77/66/1333957766.db2.gz IZVUIWVWBIHAMB-QGZVFWFLSA-N 1 1 340.423 2.539 20 10 EFCDMO OC1CCN(c2ccc(C[NH2+][C@@H]3CCCn4ccnc43)cc2F)CC1 ZINC000848523353 1334772006 /nfs/dbraw/zinc/77/20/06/1334772006.db2.gz AXKZBNYJFINJFT-QGZVFWFLSA-N 1 1 344.434 2.608 20 10 EFCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@@H](C)C(=O)OC(C)(C)C)c1 ZINC000848563765 1334796425 /nfs/dbraw/zinc/79/64/25/1334796425.db2.gz XCRNQAWTIXMANO-VXGBXAGGSA-N 1 1 337.416 2.807 20 10 EFCDMO CCc1cccc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1O ZINC000848888834 1334962813 /nfs/dbraw/zinc/96/28/13/1334962813.db2.gz ZSVSGORAWOFWDW-OAHLLOKOSA-N 1 1 342.399 2.944 20 10 EFCDMO CCc1cccc(C[N@H+]2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)c1O ZINC000848889527 1334963668 /nfs/dbraw/zinc/96/36/68/1334963668.db2.gz KPVWDXJYHQDZAB-MSOLQXFVSA-N 1 1 329.444 2.776 20 10 EFCDMO CC1(C)C(=O)N[C@H]1C1CC[NH+](Cc2cc(Cl)c(F)cc2O)CC1 ZINC000848921392 1334987354 /nfs/dbraw/zinc/98/73/54/1334987354.db2.gz SHIIEQVESMMBOZ-HNNXBMFYSA-N 1 1 340.826 2.921 20 10 EFCDMO CCOc1cccc(C[N@H+]2C[C@@H]3CCCC[C@]3(C(=O)OC)C2)c1O ZINC000848921788 1334987733 /nfs/dbraw/zinc/98/77/33/1334987733.db2.gz WZPWTENEYCSMGO-KXBFYZLASA-N 1 1 333.428 2.956 20 10 EFCDMO CC1CCN(C(=[NH2+])NCc2cccc(Br)c2O)CC1 ZINC000849105042 1335552744 /nfs/dbraw/zinc/55/27/44/1335552744.db2.gz AEBMCUDWAMXWRA-UHFFFAOYSA-N 1 1 326.238 2.911 20 10 EFCDMO COc1cc(O)c(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc1OC ZINC000160388684 1418348305 /nfs/dbraw/zinc/34/83/05/1418348305.db2.gz DYFFLNGKCLYONW-UHFFFAOYSA-N 1 1 344.367 2.876 20 10 EFCDMO COc1cc(O)c(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc1OC ZINC000160388684 1418348316 /nfs/dbraw/zinc/34/83/16/1418348316.db2.gz DYFFLNGKCLYONW-UHFFFAOYSA-N 1 1 344.367 2.876 20 10 EFCDMO [O-]c1ccc(Br)cc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000300403721 713398067 /nfs/dbraw/zinc/39/80/67/713398067.db2.gz ACIPFSYDNDRHIB-KBPBESRZSA-N 1 1 325.250 2.871 20 10 EFCDMO [O-]c1ccc(Br)cc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000300403721 713398070 /nfs/dbraw/zinc/39/80/70/713398070.db2.gz ACIPFSYDNDRHIB-KBPBESRZSA-N 1 1 325.250 2.871 20 10 EFCDMO C[C@@H](N[C@@H](C)C[NH+](C)C)c1ccc(N2CCOCC2)cc1Cl ZINC000806169475 713413908 /nfs/dbraw/zinc/41/39/08/713413908.db2.gz GGCSUHMMHVEMJF-UONOGXRCSA-N 1 1 325.884 2.777 20 10 EFCDMO COC(=O)CC[N@@H+](Cc1ccncc1)Cc1cc(OC)c(C)cc1O ZINC000160385421 714057135 /nfs/dbraw/zinc/05/71/35/714057135.db2.gz MGQTWVXNDYEBOQ-UHFFFAOYSA-N 1 1 344.411 2.670 20 10 EFCDMO CC[C@H](F)C[NH+]1CC([C@H](C)NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000970954094 714177128 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EFCDMO COc1ccc(C[N@H+]2CCC[C@H]2CN2CCCCC2)c(O)c1OC ZINC000891752757 714997668 /nfs/dbraw/zinc/99/76/68/714997668.db2.gz OIIUDKACYDGEIJ-INIZCTEOSA-N 1 1 334.460 2.860 20 10 EFCDMO COc1ccc(C[N@@H+]2CCC[C@@H]2CN2CCCCC2)c(O)c1OC ZINC000891752758 714997753 /nfs/dbraw/zinc/99/77/53/714997753.db2.gz OIIUDKACYDGEIJ-MRXNPFEDSA-N 1 1 334.460 2.860 20 10 EFCDMO COc1ccc(C[N@H+]2CCC[C@@H]2CN2CCCCC2)c(O)c1OC ZINC000891752758 714997754 /nfs/dbraw/zinc/99/77/54/714997754.db2.gz OIIUDKACYDGEIJ-MRXNPFEDSA-N 1 1 334.460 2.860 20 10 EFCDMO C[C@@H]1CCC[N@H+]1CCNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000891999392 715215662 /nfs/dbraw/zinc/21/56/62/715215662.db2.gz CCBMQAXMRGTXTQ-MRXNPFEDSA-N 1 1 330.476 2.570 20 10 EFCDMO CN(C(=O)NCc1ccc(N2CCCC2)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC000891999389 715215676 /nfs/dbraw/zinc/21/56/76/715215676.db2.gz CBTQZFWJUGDDOL-GOSISDBHSA-N 1 1 330.476 2.522 20 10 EFCDMO COc1ccc(C[N@@H+](CCO)[C@@H]2CCc3ccccc32)c(O)c1OC ZINC000892043739 715231907 /nfs/dbraw/zinc/23/19/07/715231907.db2.gz 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COc1ccc(C[NH2+]Cc2nc3ccc(C)cc3[nH]2)c(O)c1OC ZINC000893089691 719603966 /nfs/dbraw/zinc/60/39/66/719603966.db2.gz IHTCVRPFAUZBMD-UHFFFAOYSA-N 1 1 327.384 2.884 20 10 EFCDMO COC(=O)C[N@H+](CCc1ccccc1)Cc1cc(OC)ccc1O ZINC000181021407 719998912 /nfs/dbraw/zinc/99/89/12/719998912.db2.gz BTDBPLGTDJJTJQ-UHFFFAOYSA-N 1 1 329.396 2.619 20 10 EFCDMO COC(=O)C[N@@H+](CCc1ccccc1)Cc1cc(OC)ccc1O ZINC000181021407 719998915 /nfs/dbraw/zinc/99/89/15/719998915.db2.gz BTDBPLGTDJJTJQ-UHFFFAOYSA-N 1 1 329.396 2.619 20 10 EFCDMO NC(=O)N=Nc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2CCC2CC2)cc1 ZINC001028339974 720394679 /nfs/dbraw/zinc/39/46/79/720394679.db2.gz GXMAQJXEEVGCHL-INIZCTEOSA-N 1 1 343.431 2.843 20 10 EFCDMO COc1ccc(C[N@H+]2CC[C@](O)(c3ccc(F)cc3)C2)c(O)c1OC ZINC000893318187 720591694 /nfs/dbraw/zinc/59/16/94/720591694.db2.gz RYMVMYXRXWRGFL-LJQANCHMSA-N 1 1 347.386 2.642 20 10 EFCDMO CCOc1cccc(C[NH+]2CCN(Cc3nc(C)c(C)o3)CC2)c1O ZINC000093056022 720842054 /nfs/dbraw/zinc/84/20/54/720842054.db2.gz PCFJSOHLLOFOFA-UHFFFAOYSA-N 1 1 345.443 2.714 20 10 EFCDMO COc1ncccc1C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000193425939 720915292 /nfs/dbraw/zinc/91/52/92/720915292.db2.gz GDEGIOZEAJBRKF-QGZVFWFLSA-N 1 1 328.412 2.977 20 10 EFCDMO COc1ncccc1C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000193425939 720915293 /nfs/dbraw/zinc/91/52/93/720915293.db2.gz GDEGIOZEAJBRKF-QGZVFWFLSA-N 1 1 328.412 2.977 20 10 EFCDMO COc1ccc(O)c(C[N@H+](C)CC(=O)NCCC2=CCCCC2)c1 ZINC000897379140 724746136 /nfs/dbraw/zinc/74/61/36/724746136.db2.gz SKTHSAZMMDIQBS-UHFFFAOYSA-N 1 1 332.444 2.839 20 10 EFCDMO COc1ccc(O)c(C[N@@H+](C)CC(=O)NCCC2=CCCCC2)c1 ZINC000897379140 724746137 /nfs/dbraw/zinc/74/61/37/724746137.db2.gz SKTHSAZMMDIQBS-UHFFFAOYSA-N 1 1 332.444 2.839 20 10 EFCDMO COc1cc(C)cc(C[NH2+]C2CCN([C@H]3CCCC[C@@H]3O)CC2)c1O ZINC000894331120 722105585 /nfs/dbraw/zinc/10/55/85/722105585.db2.gz BRVPAMODXQQUFB-ROUUACIJSA-N 1 1 348.487 2.567 20 10 EFCDMO COc1cc(C)cc(CNC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c1O ZINC000894331120 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NC(=O)c1cccc(C[N@@H+](Cc2cc(F)cc(F)c2O)C2CC2)c1 ZINC000894877364 722932911 /nfs/dbraw/zinc/93/29/11/722932911.db2.gz VNQLHMYTCWEUDW-UHFFFAOYSA-N 1 1 332.350 2.934 20 10 EFCDMO COc1ccc(C[N@H+]2C[C@H](O)C[C@@H]2c2ccccc2)c(O)c1OC ZINC000894899880 723018278 /nfs/dbraw/zinc/01/82/78/723018278.db2.gz BWEJAMCLDXRPFU-HZPDHXFCSA-N 1 1 329.396 2.717 20 10 EFCDMO COc1ccc(C[NH2+]C(C)(C)c2cn(C(C)C)nn2)c(O)c1OC ZINC000894987568 723045462 /nfs/dbraw/zinc/04/54/62/723045462.db2.gz WGYSPTCHDRJXEH-UHFFFAOYSA-N 1 1 334.420 2.607 20 10 EFCDMO NC(=O)[C@]1(c2ccccc2)CC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000895000679 723048790 /nfs/dbraw/zinc/04/87/90/723048790.db2.gz KOMANODBRNEVMW-GOSISDBHSA-N 1 1 330.815 2.675 20 10 EFCDMO NC(=O)[C@@]1(c2ccccc2)CC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000895000680 723048803 /nfs/dbraw/zinc/04/88/03/723048803.db2.gz KOMANODBRNEVMW-SFHVURJKSA-N 1 1 330.815 2.675 20 10 EFCDMO CN(C)c1ccc(C[N@H+]2CC[C@@H](C3OCCO3)C2)c(C(F)(F)F)c1 ZINC000896380843 723286137 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COc1cc(O)c(C[N@@H+]2CCCC[C@@H]2[C@@H](C)CN(C)C)cc1OC ZINC000895379306 724089998 /nfs/dbraw/zinc/08/99/98/724089998.db2.gz UBUWTLPRFOCYBR-GOEBONIOSA-N 1 1 336.476 2.962 20 10 EFCDMO COc1cc(O)c(C[N@H+]2CCCC[C@@H]2[C@@H](C)CN(C)C)cc1OC ZINC000895379306 724090001 /nfs/dbraw/zinc/09/00/01/724090001.db2.gz UBUWTLPRFOCYBR-GOEBONIOSA-N 1 1 336.476 2.962 20 10 EFCDMO COc1cc(O)c(CN2CCCC[C@@H]2[C@H](C)C[NH+](C)C)cc1OC ZINC000895379304 724090105 /nfs/dbraw/zinc/09/01/05/724090105.db2.gz UBUWTLPRFOCYBR-GDBMZVCRSA-N 1 1 336.476 2.962 20 10 EFCDMO COc1cc(O)c(C[N@@H+]2CCCC[C@@H]2[C@H](C)CN(C)C)cc1OC ZINC000895379304 724090111 /nfs/dbraw/zinc/09/01/11/724090111.db2.gz UBUWTLPRFOCYBR-GDBMZVCRSA-N 1 1 336.476 2.962 20 10 EFCDMO COc1cc(O)c(C[N@H+]2CCCC[C@@H]2[C@H](C)CN(C)C)cc1OC ZINC000895379304 724090114 /nfs/dbraw/zinc/09/01/14/724090114.db2.gz UBUWTLPRFOCYBR-GDBMZVCRSA-N 1 1 336.476 2.962 20 10 EFCDMO COc1cc(Br)cc(C[N@@H+](C)[C@@H]2CCCC[C@H]2O)c1O ZINC000895436241 724133175 /nfs/dbraw/zinc/13/31/75/724133175.db2.gz AHDUKRJOZDTEPK-CHWSQXEVSA-N 1 1 344.249 2.899 20 10 EFCDMO CCN(CC)c1ccc(C[N@@H+]2C[C@H]3CN(C(C)=O)C[C@H]3C2)cc1F ZINC000895575800 724201109 /nfs/dbraw/zinc/20/11/09/724201109.db2.gz JRLPNNVTZWSOBP-CALCHBBNSA-N 1 1 333.451 2.582 20 10 EFCDMO CCc1cccc(C[NH2+]Cc2ccc(N3CCN(C)CC3)cc2)c1O ZINC000895607709 724221758 /nfs/dbraw/zinc/22/17/58/724221758.db2.gz UKZGITILTKIZSY-UHFFFAOYSA-N 1 1 339.483 2.996 20 10 EFCDMO CCO/C=C\[C@](O)(C[NH2+]Cc1cc(F)cc(F)c1O)C(F)(F)F ZINC000895718805 724270589 /nfs/dbraw/zinc/27/05/89/724270589.db2.gz SNLFDCGKKGEBTA-SCOBNMCVSA-N 1 1 341.276 2.604 20 10 EFCDMO CCO/C=C\[C@@](O)(C[NH2+]Cc1cc(F)cc(F)c1O)C(F)(F)F ZINC000895718799 724280142 /nfs/dbraw/zinc/28/01/42/724280142.db2.gz SNLFDCGKKGEBTA-DHCBQETCSA-N 1 1 341.276 2.604 20 10 EFCDMO CCOc1cccc(C[N@@H+](CCO)Cc2ccc(OC)cc2)c1O ZINC000895710075 724280147 /nfs/dbraw/zinc/28/01/47/724280147.db2.gz FVBFRADLSYBNPP-UHFFFAOYSA-N 1 1 331.412 2.794 20 10 EFCDMO COc1cc(Cl)cc(C[N@H+]2CC[C@@](CO)(C(F)(F)F)C2)c1O ZINC000895838043 724335352 /nfs/dbraw/zinc/33/53/52/724335352.db2.gz ZQRIGWSEPVBFDE-CYBMUJFWSA-N 1 1 339.741 2.801 20 10 EFCDMO COCC[N@@H+](C)CCNC(=O)c1cc(C)ccc1-n1c(C)ccc1C ZINC000303378910 724377667 /nfs/dbraw/zinc/37/76/67/724377667.db2.gz LCZDBUOADSIOHI-UHFFFAOYSA-N 1 1 343.471 2.711 20 10 EFCDMO C[N@@H+](CC1CC1)C1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC000985813491 724906890 /nfs/dbraw/zinc/90/68/90/724906890.db2.gz FBAIQNOHLDKBIV-UHFFFAOYSA-N 1 1 343.431 2.795 20 10 EFCDMO NC(=O)N=Nc1ccc(C(=O)N[C@@]23CCC[C@@H]2[N@@H+](CCF)CC3)cc1 ZINC000992547855 725956400 /nfs/dbraw/zinc/95/64/00/725956400.db2.gz LYEYWTXNIVUYQL-WMLDXEAASA-N 1 1 347.394 2.545 20 10 EFCDMO CN1CCN(c2ccc(C[NH2+]CC(C)(C)C3CCOCC3)cc2)CC1 ZINC000897452831 726213441 /nfs/dbraw/zinc/21/34/41/726213441.db2.gz XFWUGTLBWDEAQE-UHFFFAOYSA-N 1 1 345.531 2.981 20 10 EFCDMO CCN(CC)c1ccc(CNC(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC000731120182 726807579 /nfs/dbraw/zinc/80/75/79/726807579.db2.gz PQVYSYNKCNLXPD-SFHVURJKSA-N 1 1 344.503 2.816 20 10 EFCDMO CCN(CC)c1ccc(CNC(=O)NCC[N@@H+](C)C(C)C)cc1F ZINC000731363260 726847193 /nfs/dbraw/zinc/84/71/93/726847193.db2.gz ASFROTYVYUVQFX-UHFFFAOYSA-N 1 1 338.471 2.811 20 10 EFCDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)NCCCSc1nccs1 ZINC000153464233 726861520 /nfs/dbraw/zinc/86/15/20/726861520.db2.gz RONOJFRROSKKSM-CYBMUJFWSA-N 1 1 342.534 2.799 20 10 EFCDMO COc1ccc(N2CCN(C(=O)C[N@@H+](CC(C)C)C(C)C)CC2)cc1 ZINC000915218119 726903922 /nfs/dbraw/zinc/90/39/22/726903922.db2.gz IZFMGYMIUREYCD-UHFFFAOYSA-N 1 1 347.503 2.710 20 10 EFCDMO O=C1CCCN1CCC[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000731844328 726941529 /nfs/dbraw/zinc/94/15/29/726941529.db2.gz QIRKDCHTFBVVDX-UHFFFAOYSA-N 1 1 328.412 3.000 20 10 EFCDMO O=C1CCCN1[C@@H]1CCC[N@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000732186736 727002087 /nfs/dbraw/zinc/00/20/87/727002087.db2.gz ZABVCFZQJXACPF-OAHLLOKOSA-N 1 1 325.412 2.527 20 10 EFCDMO O=C(C[N@H+](Cc1ccccc1O)C1CCCC1)NCc1cccnc1 ZINC000732204347 727004524 /nfs/dbraw/zinc/00/45/24/727004524.db2.gz JJTCYIIVULFRJC-UHFFFAOYSA-N 1 1 339.439 2.848 20 10 EFCDMO CCCC[N@@H+](C)CCNC(=O)NCc1ccc2c(c1)CCCN2C ZINC000732885735 727269526 /nfs/dbraw/zinc/26/95/26/727269526.db2.gz DHFRCZNYUJSXOB-UHFFFAOYSA-N 1 1 332.492 2.600 20 10 EFCDMO C[N@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C[C@H]1CCC[NH+](C)C1 ZINC000092253548 727326047 /nfs/dbraw/zinc/32/60/47/727326047.db2.gz CVODJMSTNCKHAY-NSHDSACASA-N 1 1 327.812 2.727 20 10 EFCDMO C[NH+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C[C@H]1CCC[N@H+](C)C1 ZINC000092253548 727326049 /nfs/dbraw/zinc/32/60/49/727326049.db2.gz CVODJMSTNCKHAY-NSHDSACASA-N 1 1 327.812 2.727 20 10 EFCDMO C[NH+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C[C@H]1CCC[N@@H+](C)C1 ZINC000092253548 727326052 /nfs/dbraw/zinc/32/60/52/727326052.db2.gz CVODJMSTNCKHAY-NSHDSACASA-N 1 1 327.812 2.727 20 10 EFCDMO C[C@H]1[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CCC[N@H+]1CC1CC1 ZINC000994497645 727772137 /nfs/dbraw/zinc/77/21/37/727772137.db2.gz QORRCBGRFVLTGX-BLLLJJGKSA-N 1 1 343.431 2.842 20 10 EFCDMO C[C@H]1[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CCC[N@H+]1CC1CC1 ZINC000994497649 727772197 /nfs/dbraw/zinc/77/21/97/727772197.db2.gz QORRCBGRFVLTGX-LRDDRELGSA-N 1 1 343.431 2.842 20 10 EFCDMO CCc1cc(C[N@H+](C)[C@H]2CCS(=O)(=O)C2)c(O)c(C(C)(C)C)c1 ZINC000054866207 727886085 /nfs/dbraw/zinc/88/60/85/727886085.db2.gz IZZYJNVKLWMMQI-HNNXBMFYSA-N 1 1 339.501 2.871 20 10 EFCDMO CCc1cc(C[N@@H+](C)[C@H]2CCS(=O)(=O)C2)c(O)c(C(C)(C)C)c1 ZINC000054866207 727886087 /nfs/dbraw/zinc/88/60/87/727886087.db2.gz IZZYJNVKLWMMQI-HNNXBMFYSA-N 1 1 339.501 2.871 20 10 EFCDMO CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2cc(C)cc(OC)c2O)C1 ZINC000164265091 727923909 /nfs/dbraw/zinc/92/39/09/727923909.db2.gz TXAPJXCXBVJZJP-HNNXBMFYSA-N 1 1 334.460 2.838 20 10 EFCDMO COc1cc(C[N@@H+](C)C[C@@H]2CCN(C(C)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000165130452 728016171 /nfs/dbraw/zinc/01/61/71/728016171.db2.gz MJOHERHMEBYKDN-HNNXBMFYSA-N 1 1 348.487 2.999 20 10 EFCDMO C[C@H](N[C@@H]1CC[N@H+](CC2CC2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000157817121 728217559 /nfs/dbraw/zinc/21/75/59/728217559.db2.gz KOIMLMIWNSOXAW-MAUKXSAKSA-N 1 1 347.478 2.797 20 10 EFCDMO C[C@H](N[C@@H]1CC[N@@H+](CC2CC2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000157817121 728217563 /nfs/dbraw/zinc/21/75/63/728217563.db2.gz KOIMLMIWNSOXAW-MAUKXSAKSA-N 1 1 347.478 2.797 20 10 EFCDMO CC(=O)c1cc(F)cc(C[NH2+][C@@H](C)c2nnc3ccccn32)c1O ZINC000182702130 728328661 /nfs/dbraw/zinc/32/86/61/728328661.db2.gz IFPYVEMCFBSWME-JTQLQIEISA-N 1 1 328.347 2.627 20 10 EFCDMO CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cc(Br)ccc2[O-])C1 ZINC000227441923 728333177 /nfs/dbraw/zinc/33/31/77/728333177.db2.gz INDXNPUOACMHCY-GFCCVEGCSA-N 1 1 327.266 2.975 20 10 EFCDMO CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cc(Br)ccc2[O-])C1 ZINC000227441923 728333182 /nfs/dbraw/zinc/33/31/82/728333182.db2.gz INDXNPUOACMHCY-GFCCVEGCSA-N 1 1 327.266 2.975 20 10 EFCDMO CCC[C@@H]1CC(=O)N(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)C1 ZINC000173296552 728620557 /nfs/dbraw/zinc/62/05/57/728620557.db2.gz SHLKWNIHUBJOIH-GOSISDBHSA-N 1 1 345.487 2.561 20 10 EFCDMO CCC[C@@H]1CC(=O)N(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)C1 ZINC000173296552 728620559 /nfs/dbraw/zinc/62/05/59/728620559.db2.gz SHLKWNIHUBJOIH-GOSISDBHSA-N 1 1 345.487 2.561 20 10 EFCDMO COc1ccc(O)c([C@@H](C)NC(=O)NCCCCn2cc[nH+]c2C)c1 ZINC000173436459 728626258 /nfs/dbraw/zinc/62/62/58/728626258.db2.gz LCWCCRMGJKOVCB-CYBMUJFWSA-N 1 1 346.431 2.746 20 10 EFCDMO CC[C@@H](C(=O)OC)[N@H+](CC)Cc1cc(Br)ccc1O ZINC000174426679 728663520 /nfs/dbraw/zinc/66/35/20/728663520.db2.gz GEPYNAPETQVKCQ-LBPRGKRZSA-N 1 1 330.222 2.928 20 10 EFCDMO CC[C@@H](C(=O)OC)[N@@H+](CC)Cc1cc(Br)ccc1O ZINC000174426679 728663523 /nfs/dbraw/zinc/66/35/23/728663523.db2.gz GEPYNAPETQVKCQ-LBPRGKRZSA-N 1 1 330.222 2.928 20 10 EFCDMO CC[C@H](C)NC(=O)C[N@@H+](CC)Cc1cc(Br)ccc1O ZINC000174423049 728664629 /nfs/dbraw/zinc/66/46/29/728664629.db2.gz GLQPLCARZUSBCU-NSHDSACASA-N 1 1 343.265 2.891 20 10 EFCDMO CCC[C@@H]([NH2+]C1CCN(c2ccc(OC)cc2)CC1)C(=O)OCC ZINC000174040606 728645745 /nfs/dbraw/zinc/64/57/45/728645745.db2.gz RSOXAPFVUPNJOP-GOSISDBHSA-N 1 1 334.460 2.985 20 10 EFCDMO COCC[N@@H+](CC(=O)N(C)Cc1ccc(N(C)C)cc1)C1CCCC1 ZINC000919770748 729084391 /nfs/dbraw/zinc/08/43/91/729084391.db2.gz SQFJUYGAGCMAKA-UHFFFAOYSA-N 1 1 347.503 2.602 20 10 EFCDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCc1ccc(N(C)C)cc1 ZINC000919896628 729108018 /nfs/dbraw/zinc/10/80/18/729108018.db2.gz CYZFTINTQYVMMC-CVEARBPZSA-N 1 1 332.492 2.672 20 10 EFCDMO Cc1cc(C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)c(C)n1-c1ccccn1 ZINC000919966733 729119562 /nfs/dbraw/zinc/11/95/62/729119562.db2.gz AEVVRFIMZTUSAQ-OAHLLOKOSA-N 1 1 340.471 2.951 20 10 EFCDMO CCC[N@@H+](CC(=O)NCc1ccccc1OC)Cc1ccccc1O ZINC000069009956 729770595 /nfs/dbraw/zinc/77/05/95/729770595.db2.gz JIJIDJNLGMEKBO-UHFFFAOYSA-N 1 1 342.439 2.929 20 10 EFCDMO C[C@H]1Cc2cc(CNC[C@H]([NH3+])c3ccc(N(C)C)cc3)ccc2O1 ZINC001576861174 1089492208 /nfs/dbraw/zinc/49/22/08/1089492208.db2.gz BUSSBAQNZISFDO-LIRRHRJNSA-N 1 1 325.456 2.866 20 10 EFCDMO CC[NH2+]C1CCN(Cc2cc(Br)cc(F)c2O)CC1 ZINC001577821292 1090195859 /nfs/dbraw/zinc/19/58/59/1090195859.db2.gz HGBOLLQNOZCNRX-UHFFFAOYSA-N 1 1 331.229 2.868 20 10 EFCDMO Cc1ccc(C)n1-c1ccc(C(=O)N2CC[NH2+]C[C@H]2C(F)F)cc1 ZINC001579674409 1090659246 /nfs/dbraw/zinc/65/92/46/1090659246.db2.gz SDDHCYXVHFRFCJ-INIZCTEOSA-N 1 1 333.382 2.773 20 10 EFCDMO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3cc(Cl)c(F)cc3[O-])C2)C1 ZINC001580201194 1090808087 /nfs/dbraw/zinc/80/80/87/1090808087.db2.gz XIMBYKUUDMBNEJ-XTQGRXLLSA-N 1 1 342.842 2.903 20 10 EFCDMO [O-]c1cc(Br)ccc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001580888745 1091036093 /nfs/dbraw/zinc/03/60/93/1091036093.db2.gz XVZLFMFUXZVUTJ-SCDSUCTJSA-N 1 1 325.250 2.632 20 10 EFCDMO CN(C)c1ccc(/C=C\C[N@@H+]2Cc3cccc(-c4nn[nH]n4)c3C2)cc1 ZINC001591031834 1093655545 /nfs/dbraw/zinc/65/55/45/1093655545.db2.gz WKAKJDADOPVTGX-PLNGDYQASA-N 1 1 346.438 2.962 20 10 EFCDMO CN(C)c1ccc(/C=C\C[N@H+]2Cc3cccc(-c4nn[nH]n4)c3C2)cc1 ZINC001591031834 1093655546 /nfs/dbraw/zinc/65/55/46/1093655546.db2.gz WKAKJDADOPVTGX-PLNGDYQASA-N 1 1 346.438 2.962 20 10 EFCDMO CN(C)c1ccc(C[N@@H+](C)Cc2csc(-c3nn[nH]n3)c2)cc1 ZINC001591139875 1093669532 /nfs/dbraw/zinc/66/95/32/1093669532.db2.gz GMYXEHQCSWIVOF-UHFFFAOYSA-N 1 1 328.445 2.626 20 10 EFCDMO COc1cc(C)c(C[N@@H+](C)Cc2cccc(-c3nn[nH]n3)c2)c(O)c1 ZINC001591519772 1093747495 /nfs/dbraw/zinc/74/74/95/1093747495.db2.gz YHOWLTUNBFHXOT-UHFFFAOYSA-N 1 1 339.399 2.521 20 10 EFCDMO CC[C@H]([NH2+]CCc1ccc(-c2nn[nH]n2)cc1)c1ccc(F)cc1O ZINC001604060734 1096715477 /nfs/dbraw/zinc/71/54/77/1096715477.db2.gz IVPKETHFRVEMOW-INIZCTEOSA-N 1 1 341.390 2.995 20 10 EFCDMO C[N@@H+](Cc1ccccc1O)Cc1ccc(-c2nn[nH]n2)cc1Cl ZINC001604819145 1096965623 /nfs/dbraw/zinc/96/56/23/1096965623.db2.gz UWMUVOVQBLPYGC-UHFFFAOYSA-N 1 1 329.791 2.858 20 10 EFCDMO COc1ccc(C[NH2+][C@@H](C)c2ccc(F)cc2O)cc1-c1nn[nH]n1 ZINC001605283866 1097081476 /nfs/dbraw/zinc/08/14/76/1097081476.db2.gz TWZYSDZHPKSOCI-JTQLQIEISA-N 1 1 343.362 2.571 20 10 EFCDMO Cc1cc(-c2nn[nH]n2)cc(C)c1C[NH2+]Cc1c(O)cccc1F ZINC001605524493 1097147175 /nfs/dbraw/zinc/14/71/75/1097147175.db2.gz VHLJYVPAEYKFAK-UHFFFAOYSA-N 1 1 327.363 2.618 20 10 EFCDMO Cc1cc(N(C)C)ccc1C[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001609404200 1098293018 /nfs/dbraw/zinc/29/30/18/1098293018.db2.gz IZOLECUZZNSOLB-UHFFFAOYSA-N 1 1 336.443 2.873 20 10 EFCDMO O=C(c1ccc(O)c(O)c1)N1CCC[C@]2(CC[N@H+](C3CCCC3)C2)C1 ZINC001270038176 1098622818 /nfs/dbraw/zinc/62/28/18/1098622818.db2.gz SVEFYSYXLMTTSK-HXUWFJFHSA-N 1 1 344.455 2.969 20 10 EFCDMO C[N@H+]1CC[C@H](c2ccc(NCCc3cc(O)c(O)cc3O)cc2)C1 ZINC001168016865 1100532638 /nfs/dbraw/zinc/53/26/38/1100532638.db2.gz PJCSNKKOUMKGNK-HNNXBMFYSA-N 1 1 328.412 2.877 20 10 EFCDMO O=C(CCc1ccc(O)c(O)c1)N1CC2(C1)CC[N@H+](C1CCCC1)C2 ZINC001271834460 1102859642 /nfs/dbraw/zinc/85/96/42/1102859642.db2.gz NXGJTGSTDWHTRH-UHFFFAOYSA-N 1 1 344.455 2.507 20 10 EFCDMO CCC[N@H+]1CCC[C@@H](C(=O)NCCCSc2nccs2)C1 ZINC000906671151 1104421860 /nfs/dbraw/zinc/42/18/60/1104421860.db2.gz NQGFQZWNHJWKAH-CYBMUJFWSA-N 1 1 327.519 2.864 20 10 EFCDMO NC(=O)N=Nc1ccc(C(=O)N2CCC[N@H+](C/C=C\Cl)CC2)cc1 ZINC000989760753 1106627647 /nfs/dbraw/zinc/62/76/47/1106627647.db2.gz AUBOJWCSCFXFCC-ZAGGOXTESA-N 1 1 349.822 2.749 20 10 EFCDMO NC(=O)N=Nc1ccc(C(=O)N2CCC[N@@H+](C/C=C\Cl)CC2)cc1 ZINC000989760753 1106627650 /nfs/dbraw/zinc/62/76/50/1106627650.db2.gz AUBOJWCSCFXFCC-ZAGGOXTESA-N 1 1 349.822 2.749 20 10 EFCDMO Cc1cc(Br)cc(C[N@H+](C)CCN2CCCC2)c1O ZINC000160965250 1106939514 /nfs/dbraw/zinc/93/95/14/1106939514.db2.gz BOUJGVHRFKFPAQ-UHFFFAOYSA-N 1 1 327.266 2.991 20 10 EFCDMO Cc1cc(Br)cc(C[N@@H+](C)CCN2CCCC2)c1O ZINC000160965250 1106939523 /nfs/dbraw/zinc/93/95/23/1106939523.db2.gz BOUJGVHRFKFPAQ-UHFFFAOYSA-N 1 1 327.266 2.991 20 10 EFCDMO Fc1cc(C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)ccc1N1CCOCC1 ZINC000093506124 1107185117 /nfs/dbraw/zinc/18/51/17/1107185117.db2.gz 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ZINC000898450894 1108944167 /nfs/dbraw/zinc/94/41/67/1108944167.db2.gz VAOYMMHDHVZWFA-LJQANCHMSA-N 1 1 339.487 2.813 20 10 EFCDMO Cc1nn(C)c(Cl)c1CNC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000898452239 1108950194 /nfs/dbraw/zinc/95/01/94/1108950194.db2.gz WIMQQGFUMRXWQB-QGZVFWFLSA-N 1 1 349.910 2.840 20 10 EFCDMO CC[N@@H+](CCNC(=O)NCCCSc1nccs1)C(C)C ZINC000153100843 1111115016 /nfs/dbraw/zinc/11/50/16/1111115016.db2.gz VHRDDTQJFQFPFV-UHFFFAOYSA-N 1 1 330.523 2.655 20 10 EFCDMO C[N@@H+](CCNC(=O)NCCCSc1nccs1)C1CCCC1 ZINC000153296368 1111315548 /nfs/dbraw/zinc/31/55/48/1111315548.db2.gz JXFZYPDVMDMNAT-UHFFFAOYSA-N 1 1 342.534 2.799 20 10 EFCDMO [NH3+][C@@]12CCC[C@@H]1CN(Cc1cc(F)cc(Br)c1O)C2 ZINC001235244761 1111702243 /nfs/dbraw/zinc/70/22/43/1111702243.db2.gz JAPVCXQKLSFPQF-QMTHXVAHSA-N 1 1 329.213 2.607 20 10 EFCDMO CC(C)(C)C(=O)CN1CC[C@]2(CCC[N@H+]2Cc2ccccc2O)C1=O ZINC001272618351 1111752275 /nfs/dbraw/zinc/75/22/75/1111752275.db2.gz GDTVTKHIQGVOTI-HXUWFJFHSA-N 1 1 344.455 2.574 20 10 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COC(=O)C[C@H]1CCC[N@H+]1Cc1cc(Cl)cc(C(C)=O)c1O ZINC000179151299 473639924 /nfs/dbraw/zinc/63/99/24/473639924.db2.gz UNDWBNWIXQGZAT-CYBMUJFWSA-N 1 1 325.792 2.776 20 10 EFCDMO CC[C@@H]([NH2+][C@H](C)CCN1CCN(C)CC1)c1ccc(N(C)C)cc1 ZINC000186580150 473693329 /nfs/dbraw/zinc/69/33/29/473693329.db2.gz BIQHTTMZIILWRG-YLJYHZDGSA-N 1 1 332.536 2.819 20 10 EFCDMO COc1ccncc1C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000287649872 473724418 /nfs/dbraw/zinc/72/44/18/473724418.db2.gz GPARDQIPWKEJPV-QGZVFWFLSA-N 1 1 328.412 2.977 20 10 EFCDMO COc1ccncc1C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000287649872 473724423 /nfs/dbraw/zinc/72/44/23/473724423.db2.gz GPARDQIPWKEJPV-QGZVFWFLSA-N 1 1 328.412 2.977 20 10 EFCDMO Cc1cccc(CN2CC[NH+](CCCOCC(F)(F)F)CC2)c1O ZINC000179858114 473743982 /nfs/dbraw/zinc/74/39/82/473743982.db2.gz SOQUHQUAWIRXMN-UHFFFAOYSA-N 1 1 346.393 2.787 20 10 EFCDMO C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccc2ccccc2c1[O-] ZINC000192923900 473747507 /nfs/dbraw/zinc/74/75/07/473747507.db2.gz HCOPOFWLEHOABR-INIZCTEOSA-N 1 1 327.472 2.834 20 10 EFCDMO CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2cc(OC)ccc2O)C1 ZINC000179938442 473757929 /nfs/dbraw/zinc/75/79/29/473757929.db2.gz VZXZEBNGMYUZLW-GJZGRUSLSA-N 1 1 334.460 2.918 20 10 EFCDMO O=C(c1cccc(O)c1O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000186820112 473762208 /nfs/dbraw/zinc/76/22/08/473762208.db2.gz YWTDYNADRCCQFK-UHFFFAOYSA-N 1 1 344.386 2.585 20 10 EFCDMO O=C(c1cccc(O)c1O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000186820112 473762215 /nfs/dbraw/zinc/76/22/15/473762215.db2.gz YWTDYNADRCCQFK-UHFFFAOYSA-N 1 1 344.386 2.585 20 10 EFCDMO CN(C)c1ccc(CNC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000173254763 473782784 /nfs/dbraw/zinc/78/27/84/473782784.db2.gz NYIJCINOPRJGJM-SFHVURJKSA-N 1 1 332.492 2.768 20 10 EFCDMO COc1cc(O)c(C[N@H+]2CCc3ccccc3[C@H]2CO)cc1OC ZINC000180281875 473846061 /nfs/dbraw/zinc/84/60/61/473846061.db2.gz VVGSGBKEXVHKJQ-MRXNPFEDSA-N 1 1 329.396 2.501 20 10 EFCDMO Oc1ccc(F)cc1C[N@H+]1CCOC[C@H]1C[C@H](O)c1ccccc1 ZINC000180278709 473846145 /nfs/dbraw/zinc/84/61/45/473846145.db2.gz NPVNMGSXHHKXLE-MJGOQNOKSA-N 1 1 331.387 2.856 20 10 EFCDMO Oc1ccc(F)cc1C[N@@H+]1CCOC[C@H]1C[C@H](O)c1ccccc1 ZINC000180278709 473846160 /nfs/dbraw/zinc/84/61/60/473846160.db2.gz NPVNMGSXHHKXLE-MJGOQNOKSA-N 1 1 331.387 2.856 20 10 EFCDMO Cc1cc([C@H](C)[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)nn1C ZINC000282036045 473925119 /nfs/dbraw/zinc/92/51/19/473925119.db2.gz FRXZXGCHZFKYCZ-AWEZNQCLSA-N 1 1 332.423 2.555 20 10 EFCDMO CC[C@H]([NH2+]CCc1n[nH]c(C)n1)c1cc(Br)ccc1O ZINC000274817009 473971770 /nfs/dbraw/zinc/97/17/70/473971770.db2.gz ZNSQTERIYAHQPD-LBPRGKRZSA-N 1 1 339.237 2.865 20 10 EFCDMO COc1ccnc(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC000264471036 474003602 /nfs/dbraw/zinc/00/36/02/474003602.db2.gz XWUXPUVHHKLOHS-UHFFFAOYSA-N 1 1 327.428 2.559 20 10 EFCDMO C[N@H+]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C2(CCCCC2)C1 ZINC000181144435 474009508 /nfs/dbraw/zinc/00/95/08/474009508.db2.gz PYHMSMBQHWJXIT-SOFGYWHQSA-N 1 1 330.428 2.588 20 10 EFCDMO COc1ccc(O)c(C[NH+]2CCN(C(=O)c3ccc(C)cc3)CC2)c1 ZINC000181414235 474033716 /nfs/dbraw/zinc/03/37/16/474033716.db2.gz HFBZPIOIECNVIZ-UHFFFAOYSA-N 1 1 340.423 2.667 20 10 EFCDMO COc1cccc2c1CC[N@@H+](Cc1cc(OC)c(OC)cc1O)C2 ZINC000181451604 474037777 /nfs/dbraw/zinc/03/77/77/474037777.db2.gz VSKOCRQDHGASRW-UHFFFAOYSA-N 1 1 329.396 2.976 20 10 EFCDMO C[C@H](O)C[NH+]1CCN(Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000275152309 474086601 /nfs/dbraw/zinc/08/66/01/474086601.db2.gz TUPVORPRAGXVPY-INIZCTEOSA-N 1 1 326.440 2.558 20 10 EFCDMO CCCC[N@@H+](CCCN1C(=O)NC(C)(C)C1=O)Cc1ccccc1O ZINC000282512803 474093258 /nfs/dbraw/zinc/09/32/58/474093258.db2.gz SEHGXCNDZHUUMD-UHFFFAOYSA-N 1 1 347.459 2.715 20 10 EFCDMO CCCCN(Cc1ccccc1O)C(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000282538209 474102381 /nfs/dbraw/zinc/10/23/81/474102381.db2.gz RDCWHQNEWREESE-OAHLLOKOSA-N 1 1 336.501 2.958 20 10 EFCDMO CCCC[N@H+](Cc1ccccc1O)C[C@@H](O)COC1CCOCC1 ZINC000282550603 474107279 /nfs/dbraw/zinc/10/72/79/474107279.db2.gz XCUJJXYRWOTRRR-QGZVFWFLSA-N 1 1 337.460 2.551 20 10 EFCDMO Cc1nc(CC[NH2+][C@H](C)c2cc(Br)cc(C)c2O)n[nH]1 ZINC000275365259 474159575 /nfs/dbraw/zinc/15/95/75/474159575.db2.gz UMKWROJTCUNAKV-SECBINFHSA-N 1 1 339.237 2.783 20 10 EFCDMO Cc1nnc(CC[NH2+][C@H](C)c2cc(Br)cc(C)c2O)[nH]1 ZINC000275365259 474159578 /nfs/dbraw/zinc/15/95/78/474159578.db2.gz UMKWROJTCUNAKV-SECBINFHSA-N 1 1 339.237 2.783 20 10 EFCDMO CN(C)c1ccc(CNC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cc1F ZINC000182524402 474195680 /nfs/dbraw/zinc/19/56/80/474195680.db2.gz STWBJCOOGUNONK-WBVHZDCISA-N 1 1 348.466 2.517 20 10 EFCDMO COc1c(O)c(C[NH2+][C@H]2CCCC23CCOCC3)ccc1[N+](=O)[O-] ZINC000282841956 474214775 /nfs/dbraw/zinc/21/47/75/474214775.db2.gz VSXOEEWLOLQVAM-AWEZNQCLSA-N 1 1 336.388 2.748 20 10 EFCDMO COc1ccc(N(Cc2ccco2)C[C@@H](O)C[N@@H+](C)C2CC2)cc1F ZINC000289431704 474268282 /nfs/dbraw/zinc/26/82/82/474268282.db2.gz XRTFSIXETIYSMW-INIZCTEOSA-N 1 1 348.418 2.889 20 10 EFCDMO COc1ccc(N(Cc2ccco2)C[C@H](O)C[N@@H+](C)C2CC2)cc1F ZINC000289431707 474268737 /nfs/dbraw/zinc/26/87/37/474268737.db2.gz XRTFSIXETIYSMW-MRXNPFEDSA-N 1 1 348.418 2.889 20 10 EFCDMO CC[NH+](CC)CCC[N@H+](CC)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000289517216 474304349 /nfs/dbraw/zinc/30/43/49/474304349.db2.gz VDEVZWSCOPZIQD-UHFFFAOYSA-N 1 1 339.436 2.863 20 10 EFCDMO CC[NH+](CC)CCC[N@@H+](CC)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000289517216 474304359 /nfs/dbraw/zinc/30/43/59/474304359.db2.gz VDEVZWSCOPZIQD-UHFFFAOYSA-N 1 1 339.436 2.863 20 10 EFCDMO CNC(=O)CC[N@@H+](C)Cc1ccc(OCc2ccccc2)cc1O ZINC000183041936 474311342 /nfs/dbraw/zinc/31/13/42/474311342.db2.gz TWEQCAGXGJIKEB-UHFFFAOYSA-N 1 1 328.412 2.539 20 10 EFCDMO CN(C)c1ccc(C[N@H+]2CCC[C@H](CNC(=O)C(F)(F)F)C2)cc1 ZINC000289596988 474338567 /nfs/dbraw/zinc/33/85/67/474338567.db2.gz XNDJZYMYVVDRDT-CQSZACIVSA-N 1 1 343.393 2.643 20 10 EFCDMO C[N@H+](Cc1cc(-c2ccccc2)ccc1O)[C@H]1CCS(=O)(=O)C1 ZINC000271033264 474377630 /nfs/dbraw/zinc/37/76/30/474377630.db2.gz ZPGWUYHXKCSRGU-KRWDZBQOSA-N 1 1 331.437 2.678 20 10 EFCDMO C[N@@H+](Cc1cc(-c2ccccc2)ccc1O)[C@H]1CCS(=O)(=O)C1 ZINC000271033264 474377635 /nfs/dbraw/zinc/37/76/35/474377635.db2.gz ZPGWUYHXKCSRGU-KRWDZBQOSA-N 1 1 331.437 2.678 20 10 EFCDMO CC[N@@H+](C)[C@@H](C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)c1ccccc1 ZINC000183439794 474379990 /nfs/dbraw/zinc/37/99/90/474379990.db2.gz WPPPVUZIXABFPQ-IFXJQAMLSA-N 1 1 342.439 2.838 20 10 EFCDMO COc1ccc(C(=O)N2CC[NH+](Cc3cc(C)ccc3O)CC2)cc1 ZINC000289753955 474411419 /nfs/dbraw/zinc/41/14/19/474411419.db2.gz JIXPTFGSQTYXIB-UHFFFAOYSA-N 1 1 340.423 2.667 20 10 EFCDMO CN(C)c1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)cc1F ZINC000289821480 474443385 /nfs/dbraw/zinc/44/33/85/474443385.db2.gz TYBCTVFKURGZKW-QWHCGFSZSA-N 1 1 334.357 2.884 20 10 EFCDMO COc1cc(O)c(C[N@H+](CCN(C)C)Cc2ccccc2)cc1OC ZINC000289845577 474452451 /nfs/dbraw/zinc/45/24/51/474452451.db2.gz PRGYHNMZCOMJOY-UHFFFAOYSA-N 1 1 344.455 2.973 20 10 EFCDMO COc1cc(O)c(C[N@@H+](CCN(C)C)Cc2ccccc2)cc1OC ZINC000289845577 474452459 /nfs/dbraw/zinc/45/24/59/474452459.db2.gz PRGYHNMZCOMJOY-UHFFFAOYSA-N 1 1 344.455 2.973 20 10 EFCDMO CN(Cc1ccccc1)C(=O)N1CC[NH+](Cc2ccccc2O)CC1 ZINC000271250089 474457937 /nfs/dbraw/zinc/45/79/37/474457937.db2.gz DWWFMSOUNSALQZ-UHFFFAOYSA-N 1 1 339.439 2.762 20 10 EFCDMO C[C@@H](O)C[NH+]1CCN(Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000276293034 474485452 /nfs/dbraw/zinc/48/54/52/474485452.db2.gz TUPVORPRAGXVPY-MRXNPFEDSA-N 1 1 326.440 2.558 20 10 EFCDMO Nc1ccc(CC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cc1 ZINC000237903532 474499230 /nfs/dbraw/zinc/49/92/30/474499230.db2.gz CEJSXBBEXHPMCM-INIZCTEOSA-N 1 1 343.496 2.901 20 10 EFCDMO CCCOc1ccc(C[N@H+]2CCC[C@H](c3nnc(C)[nH]3)C2)c(O)c1 ZINC000271340575 474499364 /nfs/dbraw/zinc/49/93/64/474499364.db2.gz OGOYSOFOXFTUPZ-HNNXBMFYSA-N 1 1 330.432 2.987 20 10 EFCDMO CCCOc1ccc(C[N@@H+]2CCC[C@H](c3nc(C)n[nH]3)C2)c(O)c1 ZINC000271340575 474499371 /nfs/dbraw/zinc/49/93/71/474499371.db2.gz OGOYSOFOXFTUPZ-HNNXBMFYSA-N 1 1 330.432 2.987 20 10 EFCDMO CCCOc1ccc(C[N@H+]2CCC[C@H](c3nc(C)n[nH]3)C2)c(O)c1 ZINC000271340575 474499376 /nfs/dbraw/zinc/49/93/76/474499376.db2.gz OGOYSOFOXFTUPZ-HNNXBMFYSA-N 1 1 330.432 2.987 20 10 EFCDMO CCCOc1ccc(C[N@@H+]2CCC[C@H](c3n[nH]c(C)n3)C2)c(O)c1 ZINC000271340575 474499378 /nfs/dbraw/zinc/49/93/78/474499378.db2.gz OGOYSOFOXFTUPZ-HNNXBMFYSA-N 1 1 330.432 2.987 20 10 EFCDMO CCCOc1ccc(C[N@H+]2CCC[C@H](c3n[nH]c(C)n3)C2)c(O)c1 ZINC000271340575 474499386 /nfs/dbraw/zinc/49/93/86/474499386.db2.gz OGOYSOFOXFTUPZ-HNNXBMFYSA-N 1 1 330.432 2.987 20 10 EFCDMO COc1cncc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC000290067660 474546418 /nfs/dbraw/zinc/54/64/18/474546418.db2.gz VWQVLCPZOFSHBJ-KRWDZBQOSA-N 1 1 328.412 2.977 20 10 EFCDMO CN(Cc1ccc(N2CCCCC2)cc1)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000290071572 474547286 /nfs/dbraw/zinc/54/72/86/474547286.db2.gz UFVUBOMKTKPPNK-FQEVSTJZSA-N 1 1 331.504 2.564 20 10 EFCDMO CN(C[C@@H](O)C[N@H+](C)Cc1ccc(N2CCCCC2)cc1)C1CC1 ZINC000290071572 474547294 /nfs/dbraw/zinc/54/72/94/474547294.db2.gz UFVUBOMKTKPPNK-FQEVSTJZSA-N 1 1 331.504 2.564 20 10 EFCDMO CN(C[C@@H](O)C[N@@H+](C)Cc1ccc(N2CCCCC2)cc1)C1CC1 ZINC000290071572 474547299 /nfs/dbraw/zinc/54/72/99/474547299.db2.gz UFVUBOMKTKPPNK-FQEVSTJZSA-N 1 1 331.504 2.564 20 10 EFCDMO C[C@@H]([NH2+][C@@H](C)c1cc(Br)ccc1O)c1ncnn1C ZINC000276472259 474555231 /nfs/dbraw/zinc/55/52/31/474555231.db2.gz BLNBEWYXDIYDSN-DTWKUNHWSA-N 1 1 325.210 2.695 20 10 EFCDMO CC[C@H](C)c1nnc([C@H](C)[NH2+]Cc2cc(OC)c(OC)cc2O)[nH]1 ZINC000276829229 474572664 /nfs/dbraw/zinc/57/26/64/474572664.db2.gz BIIZNMFGFPTLDL-QWRGUYRKSA-N 1 1 334.420 2.892 20 10 EFCDMO C[C@H]([NH2+]C1CCN([C@@H]2CCC[C@H]2O)CC1)c1ccc(N(C)C)cc1 ZINC000271508864 474575319 /nfs/dbraw/zinc/57/53/19/474575319.db2.gz NLRXMFDDQMUSDX-CWFSZBLJSA-N 1 1 331.504 2.781 20 10 EFCDMO C[N@@H+](Cc1cc(F)ccc1O)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000190321945 474579301 /nfs/dbraw/zinc/57/93/01/474579301.db2.gz IXKGTZMOIMCTEM-FQEVSTJZSA-N 1 1 344.430 2.600 20 10 EFCDMO CN(Cc1cc(F)ccc1O)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000190321945 474579306 /nfs/dbraw/zinc/57/93/06/474579306.db2.gz IXKGTZMOIMCTEM-FQEVSTJZSA-N 1 1 344.430 2.600 20 10 EFCDMO CN(Cc1cc(F)ccc1O)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000190321945 474579310 /nfs/dbraw/zinc/57/93/10/474579310.db2.gz IXKGTZMOIMCTEM-FQEVSTJZSA-N 1 1 344.430 2.600 20 10 EFCDMO CC(C)[N@H+](C)C[C@@H](C)NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000290637545 474580883 /nfs/dbraw/zinc/58/08/83/474580883.db2.gz DKYXHRMWSVBSJC-MRXNPFEDSA-N 1 1 330.476 2.591 20 10 EFCDMO COc1ccc(O)c(C[N@@H+](Cc2ccc(C(N)=O)cc2)C2CC2)c1 ZINC000271694007 474586299 /nfs/dbraw/zinc/58/62/99/474586299.db2.gz AKAVGKHUJYXVAI-UHFFFAOYSA-N 1 1 326.396 2.664 20 10 EFCDMO COc1c([O-])c(C[N@H+]2CCS[C@@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000278219070 474603900 /nfs/dbraw/zinc/60/39/00/474603900.db2.gz LIMWWOANMPKVDT-CYBMUJFWSA-N 1 1 326.418 2.882 20 10 EFCDMO COc1c(O)c(C[N@H+]2CCS[C@@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000278219070 474603907 /nfs/dbraw/zinc/60/39/07/474603907.db2.gz LIMWWOANMPKVDT-CYBMUJFWSA-N 1 1 326.418 2.882 20 10 EFCDMO COc1c(O)c(C[N@@H+](C)Cc2ccc3c(c2)OCO3)ccc1[N+](=O)[O-] ZINC000278207385 474604288 /nfs/dbraw/zinc/60/42/88/474604288.db2.gz JSEGFXUHPODVFI-UHFFFAOYSA-N 1 1 346.339 2.670 20 10 EFCDMO Cc1ccnc(-c2n[nH]c([C@@H](C)[NH2+]Cc3ccc4c(c3)CCO4)n2)c1 ZINC000278314426 474606030 /nfs/dbraw/zinc/60/60/30/474606030.db2.gz BEJZKDJHQUYSFS-CYBMUJFWSA-N 1 1 335.411 2.961 20 10 EFCDMO COc1c(O)c(C[NH2+]C[C@H]2CCCO[C@H]2C(C)C)ccc1[N+](=O)[O-] ZINC000278306987 474606825 /nfs/dbraw/zinc/60/68/25/474606825.db2.gz DKUHXHNNUGGNKZ-CJNGLKHVSA-N 1 1 338.404 2.850 20 10 EFCDMO COc1c(O)cccc1C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000272314004 474607981 /nfs/dbraw/zinc/60/79/81/474607981.db2.gz SDSYXANVHKBVMB-UHFFFAOYSA-N 1 1 342.439 2.869 20 10 EFCDMO COC(=O)c1ccc2c(c1)C[N@H+](Cc1cc(OC)ccc1O)CC2 ZINC000272330951 474608449 /nfs/dbraw/zinc/60/84/49/474608449.db2.gz DTUBIUMJIMDVGA-UHFFFAOYSA-N 1 1 327.380 2.746 20 10 EFCDMO C[N@H+]1CC[C@H]2CCN(C(=O)NCc3ccc(N4CCCC4)cc3)[C@H]2C1 ZINC000272473882 474612908 /nfs/dbraw/zinc/61/29/08/474612908.db2.gz QOAICCMRXPWCBN-HKUYNNGSSA-N 1 1 342.487 2.522 20 10 EFCDMO C[C@@H](NC(=O)NCc1ccccc1O)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000272721618 474624511 /nfs/dbraw/zinc/62/45/11/474624511.db2.gz JDDDUHVZKXEDST-GDBMZVCRSA-N 1 1 331.460 2.844 20 10 EFCDMO Cc1cc(C(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)c(C)n1-c1ccccn1 ZINC000272751532 474624784 /nfs/dbraw/zinc/62/47/84/474624784.db2.gz OHTKAYAOLUHAHG-OAHLLOKOSA-N 1 1 338.455 2.869 20 10 EFCDMO COc1c(O)c(C[NH2+]C[C@H]2[C@@H]3c4ccccc4C[C@H]23)ccc1[N+](=O)[O-] ZINC000278461352 474650722 /nfs/dbraw/zinc/65/07/22/474650722.db2.gz FADPNHLMIYVUOG-BFYDXBDKSA-N 1 1 340.379 2.985 20 10 EFCDMO CCC(CC)(CCO)C[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278499435 474664186 /nfs/dbraw/zinc/66/41/86/474664186.db2.gz NJTCXEOGJWNCSW-UHFFFAOYSA-N 1 1 326.393 2.587 20 10 EFCDMO COc1c(O)c(C[NH2+]Cc2ccc(C(C)(C)O)cc2)ccc1[N+](=O)[O-] ZINC000278512271 474673007 /nfs/dbraw/zinc/67/30/07/474673007.db2.gz QARUDGVVDFEBDT-UHFFFAOYSA-N 1 1 346.383 2.826 20 10 EFCDMO COc1c(O)c(C[N@@H+](CCO)Cc2ccc(C)cc2)ccc1[N+](=O)[O-] ZINC000278525644 474680105 /nfs/dbraw/zinc/68/01/05/474680105.db2.gz TVBXYDIJBVDIKD-UHFFFAOYSA-N 1 1 346.383 2.612 20 10 EFCDMO COc1c(O)c(C[NH2+][C@H]2CCO[C@H](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000278539813 474689472 /nfs/dbraw/zinc/68/94/72/474689472.db2.gz WYNPRGIIBAYVAR-JSGCOSHPSA-N 1 1 338.404 2.992 20 10 EFCDMO COCCn1c(C)c(C)c2cc(C(=O)N3CC[N@H+](C)C[C@H]3C)ccc21 ZINC000344384301 474708468 /nfs/dbraw/zinc/70/84/68/474708468.db2.gz RYCUYZVCEKLIAU-CQSZACIVSA-N 1 1 343.471 2.681 20 10 EFCDMO COCCn1c(C)c(C)c2cc(C(=O)N3CC[N@@H+](C)C[C@H]3C)ccc21 ZINC000344384301 474708475 /nfs/dbraw/zinc/70/84/75/474708475.db2.gz RYCUYZVCEKLIAU-CQSZACIVSA-N 1 1 343.471 2.681 20 10 EFCDMO Cc1cc(C[N@H+]2CCC[C@H](c3nnc4n3CCC4)C2)ccc1N(C)C ZINC000293133522 474832316 /nfs/dbraw/zinc/83/23/16/474832316.db2.gz PWXFWMDBVYMUQZ-KRWDZBQOSA-N 1 1 339.487 2.978 20 10 EFCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)c2ccc(C)cc2)c1 ZINC000273362704 474860290 /nfs/dbraw/zinc/86/02/90/474860290.db2.gz DHNIMEHDFQYWOC-FZKQIMNGSA-N 1 1 329.396 2.871 20 10 EFCDMO COc1c(O)c(C[NH2+]C[C@@H](C)N(C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000278844765 474869077 /nfs/dbraw/zinc/86/90/77/474869077.db2.gz KLOQKKYXYKWVDV-CYBMUJFWSA-N 1 1 345.399 2.924 20 10 EFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2cn3ccsc3n2)c1 ZINC000273380822 474870091 /nfs/dbraw/zinc/87/00/91/474870091.db2.gz IDNQJNXXGOBRFS-JTQLQIEISA-N 1 1 331.397 2.739 20 10 EFCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2cn3ccsc3n2)c1 ZINC000273380824 474870656 /nfs/dbraw/zinc/87/06/56/474870656.db2.gz IDNQJNXXGOBRFS-SNVBAGLBSA-N 1 1 331.397 2.739 20 10 EFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@H](c2ccco2)N(C)C)c1 ZINC000273389034 474874727 /nfs/dbraw/zinc/87/47/27/474874727.db2.gz KGRIPUSPAVFMIJ-SWLSCSKDSA-N 1 1 332.400 2.725 20 10 EFCDMO C[C@@H]([NH2+]C[C@H](O)c1cnn(C)c1)c1cc(Cl)c(Cl)cc1O ZINC000278854485 474875963 /nfs/dbraw/zinc/87/59/63/474875963.db2.gz VWBPPOBUJNKCQN-CLAHSXSESA-N 1 1 330.215 2.817 20 10 EFCDMO COc1c(O)c(C[NH2+]CCO[C@@H]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000278857093 474876350 /nfs/dbraw/zinc/87/63/50/474876350.db2.gz LMVBIIJCLTZYNF-SWLSCSKDSA-N 1 1 338.404 2.994 20 10 EFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCn2cnc3ccccc32)c1 ZINC000273395092 474877449 /nfs/dbraw/zinc/87/74/49/474877449.db2.gz LVBVYRCEUZPFAQ-ZDUSSCGKSA-N 1 1 339.395 2.879 20 10 EFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2ccc(NC(C)=O)cc2)c1 ZINC000273417134 474888436 /nfs/dbraw/zinc/88/84/36/474888436.db2.gz RCCHFSXUCGIAAO-LBPRGKRZSA-N 1 1 342.395 2.988 20 10 EFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@H](O)CCc2ccccc2)c1 ZINC000273427811 474891446 /nfs/dbraw/zinc/89/14/46/474891446.db2.gz KMDOVKXJKIOATL-WMLDXEAASA-N 1 1 343.423 2.823 20 10 EFCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)c1 ZINC000273443429 474899230 /nfs/dbraw/zinc/89/92/30/474899230.db2.gz DQESYLWVRWRDBU-GFCCVEGCSA-N 1 1 344.367 2.980 20 10 EFCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2ccc3c(c2)OCCO3)c1 ZINC000273446006 474901511 /nfs/dbraw/zinc/90/15/11/474901511.db2.gz ZVFCJMOWFLQGJZ-GFCCVEGCSA-N 1 1 343.379 2.801 20 10 EFCDMO COc1c(O)c(C[NH2+]C[C@H](OC)c2ccccc2)ccc1[N+](=O)[O-] ZINC000278911050 474911634 /nfs/dbraw/zinc/91/16/34/474911634.db2.gz SMHXZULRMCUZRD-HNNXBMFYSA-N 1 1 332.356 2.786 20 10 EFCDMO COCc1cccc(C[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)c1 ZINC000278929787 474923820 /nfs/dbraw/zinc/92/38/20/474923820.db2.gz WBBBXPXRJGKATP-UHFFFAOYSA-N 1 1 332.356 2.745 20 10 EFCDMO COc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)cc1OC ZINC000278933107 474925723 /nfs/dbraw/zinc/92/57/23/474925723.db2.gz WRZNDDKHGVGDKA-UHFFFAOYSA-N 1 1 348.355 2.616 20 10 EFCDMO CN1CC[C@@H]([N@@H+](C)Cc2ccc(OCc3ccccc3)cc2O)C1=O ZINC000273547583 474957542 /nfs/dbraw/zinc/95/75/42/474957542.db2.gz URIMCIHRJADJAD-GOSISDBHSA-N 1 1 340.423 2.634 20 10 EFCDMO CCN1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2ccc(C)c(C)c2O)CC1 ZINC000273563861 474965402 /nfs/dbraw/zinc/96/54/02/474965402.db2.gz IXVIIHVLBBVLGH-YJBOKZPZSA-N 1 1 333.520 2.933 20 10 EFCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@H](CCO)c2ccccc2)c1 ZINC000273566825 474967451 /nfs/dbraw/zinc/96/74/51/474967451.db2.gz JSYMHXAOQLOTDQ-PBHICJAKSA-N 1 1 343.423 2.996 20 10 EFCDMO C[C@H]1OCC[C@]12C[N@H+](Cc1cc(Br)ccc1O)CCO2 ZINC000279609901 474981710 /nfs/dbraw/zinc/98/17/10/474981710.db2.gz FMANCIPILGRYCY-ABAIWWIYSA-N 1 1 342.233 2.535 20 10 EFCDMO C[C@H]1OCC[C@]12C[N@@H+](Cc1cc(Br)ccc1O)CCO2 ZINC000279609901 474981715 /nfs/dbraw/zinc/98/17/15/474981715.db2.gz FMANCIPILGRYCY-ABAIWWIYSA-N 1 1 342.233 2.535 20 10 EFCDMO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)c1 ZINC000273608540 474987725 /nfs/dbraw/zinc/98/77/25/474987725.db2.gz UYUIYBOGKOPDAH-CHWSQXEVSA-N 1 1 331.416 2.671 20 10 EFCDMO C[C@H](NC(=O)c1cccc(O)c1O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000279789554 474991512 /nfs/dbraw/zinc/99/15/12/474991512.db2.gz IMCVXJLWYRDKKJ-HOCLYGCPSA-N 1 1 340.423 2.738 20 10 EFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCC(=O)N2CCCCCC2)c1 ZINC000273615867 474991743 /nfs/dbraw/zinc/99/17/43/474991743.db2.gz XKJCZPBCDBWGKM-AWEZNQCLSA-N 1 1 348.443 2.622 20 10 EFCDMO CC[C@@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1=O)c1ccc(F)cc1O ZINC000286046218 475049755 /nfs/dbraw/zinc/04/97/55/475049755.db2.gz KVEKTYXGENCUMK-VXGBXAGGSA-N 1 1 334.313 2.735 20 10 EFCDMO COc1c(O)c(C[NH2+]C[C@@H](CO)C2CCCCC2)ccc1[N+](=O)[O-] ZINC000293768524 475052286 /nfs/dbraw/zinc/05/22/86/475052286.db2.gz YKAKLVJJPGUXMI-AWEZNQCLSA-N 1 1 338.404 2.587 20 10 EFCDMO CC[C@@H]([NH2+]CC(=O)NCc1ccc(OC)cc1)c1ccc(F)cc1O ZINC000286114427 475052608 /nfs/dbraw/zinc/05/26/08/475052608.db2.gz NVBBAIYLHWGNOS-QGZVFWFLSA-N 1 1 346.402 2.897 20 10 EFCDMO CC[C@H]([NH2+][C@@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc(F)cc1O ZINC000286316298 475059794 /nfs/dbraw/zinc/05/97/94/475059794.db2.gz XRQQYJPZYOEYDT-LSDHHAIUSA-N 1 1 346.406 2.501 20 10 EFCDMO COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000286506670 475068295 /nfs/dbraw/zinc/06/82/95/475068295.db2.gz MPBSSQVOGXUXIP-OAHLLOKOSA-N 1 1 330.350 2.680 20 10 EFCDMO O=C(NCc1c(O)ccc2c1CCCC2)c1cnn(-c2cc[nH+]cc2)c1 ZINC000294815548 475084632 /nfs/dbraw/zinc/08/46/32/475084632.db2.gz CXRRFVUAXKOXRC-UHFFFAOYSA-N 1 1 348.406 2.782 20 10 EFCDMO COC1CCN(c2ccc(C[N@@H+]3CCc4n[nH]cc4C3)cc2)CC1 ZINC000294998657 475097321 /nfs/dbraw/zinc/09/73/21/475097321.db2.gz RGRZOLOOIRUEFR-UHFFFAOYSA-N 1 1 326.444 2.583 20 10 EFCDMO COC1CCN(c2ccc(C[N@H+]3CCc4n[nH]cc4C3)cc2)CC1 ZINC000294998657 475097332 /nfs/dbraw/zinc/09/73/32/475097332.db2.gz RGRZOLOOIRUEFR-UHFFFAOYSA-N 1 1 326.444 2.583 20 10 EFCDMO CCn1ccnc1[C@@H](C)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000295246774 475115698 /nfs/dbraw/zinc/11/56/98/475115698.db2.gz PUSQTOHUAHDLEJ-CQSZACIVSA-N 1 1 332.423 2.730 20 10 EFCDMO C[C@H]([NH2+]CCCN1C(=O)c2ccccc2C1=O)c1ccc(F)cc1O ZINC000287392226 475127450 /nfs/dbraw/zinc/12/74/50/475127450.db2.gz ISVSDUQHMWEPHT-LBPRGKRZSA-N 1 1 342.370 2.868 20 10 EFCDMO COc1c([O-])c(C[N@H+]2CCC[C@@H](CSC)C2)ccc1[N+](=O)[O-] ZINC000292773347 475191912 /nfs/dbraw/zinc/19/19/12/475191912.db2.gz KRCMOHDTHVKYSJ-LLVKDONJSA-N 1 1 326.418 2.884 20 10 EFCDMO COc1c(O)c(C[N@@H+]2CCC[C@@H](CSC)C2)ccc1[N+](=O)[O-] ZINC000292773347 475191919 /nfs/dbraw/zinc/19/19/19/475191919.db2.gz KRCMOHDTHVKYSJ-LLVKDONJSA-N 1 1 326.418 2.884 20 10 EFCDMO COc1c(O)c(C[N@H+]2CCC[C@@H](CSC)C2)ccc1[N+](=O)[O-] ZINC000292773347 475191924 /nfs/dbraw/zinc/19/19/24/475191924.db2.gz KRCMOHDTHVKYSJ-LLVKDONJSA-N 1 1 326.418 2.884 20 10 EFCDMO CN(C)c1ccc(CNC(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1F ZINC000297398024 475740446 /nfs/dbraw/zinc/74/04/46/475740446.db2.gz XIMXRSDBWQWZHX-IBGZPJMESA-N 1 1 348.466 2.519 20 10 EFCDMO Cc1c2ccccc2n(C)c1CNC(=O)N[C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000349895452 476016836 /nfs/dbraw/zinc/01/68/36/476016836.db2.gz PMGUBHHCAZNHAR-ZBFHGGJFSA-N 1 1 328.460 2.769 20 10 EFCDMO Cc1c2ccccc2n(C)c1CNC(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000350034493 476035313 /nfs/dbraw/zinc/03/53/13/476035313.db2.gz QGGMBWOIYVRSNF-INIZCTEOSA-N 1 1 340.471 2.865 20 10 EFCDMO C[C@@H](c1ccccc1)[N@@H+](CCC(=O)NC(N)=O)Cc1ccccc1O ZINC000299582488 476143243 /nfs/dbraw/zinc/14/32/43/476143243.db2.gz HTTHZHMOSPVAIQ-AWEZNQCLSA-N 1 1 341.411 2.540 20 10 EFCDMO COc1c(O)c(C[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)ccc1[N+](=O)[O-] ZINC000372975736 476367553 /nfs/dbraw/zinc/36/75/53/476367553.db2.gz IOGNZBIHJWMGJN-IUIKQTSFSA-N 1 1 336.388 2.602 20 10 EFCDMO COc1c(O)c(C[NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)ccc1[N+](=O)[O-] ZINC000372975738 476367630 /nfs/dbraw/zinc/36/76/30/476367630.db2.gz IOGNZBIHJWMGJN-LYRGGWFBSA-N 1 1 336.388 2.602 20 10 EFCDMO COc1c(O)c(C[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)ccc1[N+](=O)[O-] ZINC000372975741 476367813 /nfs/dbraw/zinc/36/78/13/476367813.db2.gz IOGNZBIHJWMGJN-XZJROXQQSA-N 1 1 336.388 2.602 20 10 EFCDMO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H](c3nccn3C)C2)c1O ZINC000373116840 476378238 /nfs/dbraw/zinc/37/82/38/476378238.db2.gz 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ZINC000377615051 476473767 /nfs/dbraw/zinc/47/37/67/476473767.db2.gz KQYYZWIHFUAUTL-LJQANCHMSA-N 1 1 335.451 2.557 20 10 EFCDMO COC(=O)[C@@H]1C[N@@H+](Cc2cc(OC)ccc2O)C[C@H]1c1ccccc1 ZINC000369705541 476486356 /nfs/dbraw/zinc/48/63/56/476486356.db2.gz YZOGSUJAHYRFKQ-ZWKOTPCHSA-N 1 1 341.407 2.789 20 10 EFCDMO OCCn1ncc2c1CCC[C@H]2[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000370455170 476817389 /nfs/dbraw/zinc/81/73/89/476817389.db2.gz NQEYNDBDUXWMPG-CYBMUJFWSA-N 1 1 339.798 2.541 20 10 EFCDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@@H](N3CCCCC3=O)C2)c1 ZINC000371372860 477272563 /nfs/dbraw/zinc/27/25/63/477272563.db2.gz IIXXTROTLCFOJJ-MRXNPFEDSA-N 1 1 332.444 2.768 20 10 EFCDMO COc1ccc2c(c1)OCC[N@@H+](Cc1cc3c(cc1O)OCO3)C2 ZINC000376763227 477493181 /nfs/dbraw/zinc/49/31/81/477493181.db2.gz DFOKLVYCNAOLSF-UHFFFAOYSA-N 1 1 329.352 2.524 20 10 EFCDMO COc1ccc2c(c1)OCC[N@H+](Cc1cc3c(cc1O)OCO3)C2 ZINC000376763227 477493185 /nfs/dbraw/zinc/49/31/85/477493185.db2.gz DFOKLVYCNAOLSF-UHFFFAOYSA-N 1 1 329.352 2.524 20 10 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C[C@@H]1C[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)[C@@H](c2ccccc2)CO1 ZINC000768467106 577276513 /nfs/dbraw/zinc/27/65/13/577276513.db2.gz YUCZAYBEBFGTKF-OMWUSAIZSA-N 1 1 341.407 2.780 20 10 EFCDMO C[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)[C@@H](c2ccccc2)CO1 ZINC000768467106 577276515 /nfs/dbraw/zinc/27/65/15/577276515.db2.gz YUCZAYBEBFGTKF-OMWUSAIZSA-N 1 1 341.407 2.780 20 10 EFCDMO COc1cc(Cl)cc(C[NH+]2CCC(O)(C(F)(F)F)CC2)c1O ZINC000768518418 577279911 /nfs/dbraw/zinc/27/99/11/577279911.db2.gz FITYKTZRQDBUDS-UHFFFAOYSA-N 1 1 339.741 2.943 20 10 EFCDMO COc1cccc(O)c1C[N@H+]1CCCN(C(=O)c2ccccc2)CC1 ZINC000768523137 577280298 /nfs/dbraw/zinc/28/02/98/577280298.db2.gz CAAVEHGOAOUSTQ-UHFFFAOYSA-N 1 1 340.423 2.749 20 10 EFCDMO Cc1cc(C(=O)C[N@H+]2C[C@H](C)[C@H](O)C2)c(C)n1-c1cccc(C)c1 ZINC000768768973 577300336 /nfs/dbraw/zinc/30/03/36/577300336.db2.gz PROIYMKHBAGUJW-IFXJQAMLSA-N 1 1 326.440 2.898 20 10 EFCDMO Cc1cc(C(=O)C[N@@H+]2C[C@H](C)[C@H](O)C2)c(C)n1-c1cccc(C)c1 ZINC000768768973 577300338 /nfs/dbraw/zinc/30/03/38/577300338.db2.gz PROIYMKHBAGUJW-IFXJQAMLSA-N 1 1 326.440 2.898 20 10 EFCDMO Cc1cc(C(=O)C[N@H+]2C[C@@H](C)[C@@H](O)C2)c(C)n1-c1ccc(C)cc1 ZINC000768769012 577300381 /nfs/dbraw/zinc/30/03/81/577300381.db2.gz PXXKVMYMSYZSJG-KUHUBIRLSA-N 1 1 326.440 2.898 20 10 EFCDMO Cc1cc(C(=O)C[N@@H+]2C[C@@H](C)[C@@H](O)C2)c(C)n1-c1ccc(C)cc1 ZINC000768769012 577300384 /nfs/dbraw/zinc/30/03/84/577300384.db2.gz PXXKVMYMSYZSJG-KUHUBIRLSA-N 1 1 326.440 2.898 20 10 EFCDMO CCc1nc(CN2CC[NH+](Cc3c(O)cccc3OC)CC2)cs1 ZINC000769111369 577335426 /nfs/dbraw/zinc/33/54/26/577335426.db2.gz NGYJMXJZXMTGIB-UHFFFAOYSA-N 1 1 347.484 2.738 20 10 EFCDMO c1cn([C@@H]2CCC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)cn1 ZINC000769310670 577351197 /nfs/dbraw/zinc/35/11/97/577351197.db2.gz IYNSLQJAINJBOZ-LJQANCHMSA-N 1 1 326.444 2.557 20 10 EFCDMO CCOc1cccc(C[N@H+](C)CC(=O)NCc2cccs2)c1O ZINC000769429291 577362187 /nfs/dbraw/zinc/36/21/87/577362187.db2.gz WWSYDPNQVNSQKK-UHFFFAOYSA-N 1 1 334.441 2.601 20 10 EFCDMO CCOc1cccc(C[N@@H+](C)CC(=O)NCc2cccs2)c1O ZINC000769429291 577362188 /nfs/dbraw/zinc/36/21/88/577362188.db2.gz WWSYDPNQVNSQKK-UHFFFAOYSA-N 1 1 334.441 2.601 20 10 EFCDMO CC(C)(CO)[NH+]1CCN(Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000769445297 577362854 /nfs/dbraw/zinc/36/28/54/577362854.db2.gz GHDJHYANBFVGPW-UHFFFAOYSA-N 1 1 340.467 2.948 20 10 EFCDMO CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000769513610 577368979 /nfs/dbraw/zinc/36/89/79/577368979.db2.gz CXLSCKAOWFVVKW-CQSZACIVSA-N 1 1 326.868 2.978 20 10 EFCDMO CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000769513610 577368980 /nfs/dbraw/zinc/36/89/80/577368980.db2.gz CXLSCKAOWFVVKW-CQSZACIVSA-N 1 1 326.868 2.978 20 10 EFCDMO CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000769515364 577369139 /nfs/dbraw/zinc/36/91/39/577369139.db2.gz OZHLGEZFXROIMD-MRXNPFEDSA-N 1 1 326.868 2.978 20 10 EFCDMO CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000769515364 577369140 /nfs/dbraw/zinc/36/91/40/577369140.db2.gz OZHLGEZFXROIMD-MRXNPFEDSA-N 1 1 326.868 2.978 20 10 EFCDMO Fc1cc(C[N@H+]2CC[C@@H](C3CCOCC3)C2)ccc1N1CCOCC1 ZINC000769519316 577369763 /nfs/dbraw/zinc/36/97/63/577369763.db2.gz QLMSYYQLUMXIEL-GOSISDBHSA-N 1 1 348.462 2.911 20 10 EFCDMO CCc1nsc(N2CCC[N@@H+](Cc3c(O)cccc3OC)CC2)n1 ZINC000769549414 577371975 /nfs/dbraw/zinc/37/19/75/577371975.db2.gz RCEVBEJFVQDBIW-UHFFFAOYSA-N 1 1 348.472 2.527 20 10 EFCDMO CCOc1ccc(C[NH+]2CCN([C@H](C)C(F)(F)F)CC2)c(O)c1 ZINC000769554320 577372148 /nfs/dbraw/zinc/37/21/48/577372148.db2.gz NORZLSMBYZGCLM-GFCCVEGCSA-N 1 1 332.366 2.859 20 10 EFCDMO C[C@H](CCN1CCN(C)CC1)[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000770006612 577397515 /nfs/dbraw/zinc/39/75/15/577397515.db2.gz YZQRXHCPLROPPV-LZWOXQAQSA-N 1 1 335.467 2.695 20 10 EFCDMO CC[C@H]1C[N@@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C[C@@H]1O ZINC000770381843 577414083 /nfs/dbraw/zinc/41/40/83/577414083.db2.gz QECQYWMHKPDKIM-YJBOKZPZSA-N 1 1 333.432 2.788 20 10 EFCDMO O=C(OCc1ccccc1)N1CC[NH+](Cc2ccccc2O)CC1 ZINC000770509705 581104566 /nfs/dbraw/zinc/10/45/66/581104566.db2.gz ROVSEIKENVCZHE-UHFFFAOYSA-N 1 1 326.396 2.847 20 10 EFCDMO CN1CCN(c2ccc(C[NH2+]CCCC(=O)OC(C)(C)C)cc2)CC1 ZINC000771843377 581249442 /nfs/dbraw/zinc/24/94/42/581249442.db2.gz PGHIMTUGGVSLSW-UHFFFAOYSA-N 1 1 347.503 2.650 20 10 EFCDMO CN1CCN(c2ccc(C[NH2+][C@](C)(CO)C3CCCCC3)cc2)CC1 ZINC000771842290 581249526 /nfs/dbraw/zinc/24/95/26/581249526.db2.gz MEPDOZGGXORLQQ-OAQYLSRUSA-N 1 1 345.531 2.859 20 10 EFCDMO CN1CCN(c2ccc(C[NH2+][C@@H]3[C@@H]4CCCO[C@@H]4C3(C)C)cc2)CC1 ZINC000771844319 581249942 /nfs/dbraw/zinc/24/99/42/581249942.db2.gz YMIHVHKILHODHJ-ZCNNSNEGSA-N 1 1 343.515 2.732 20 10 EFCDMO C[C@H](Nc1nc(N2CCOCC2)cc[nH+]1)c1ccc(N(C)C)cc1 ZINC000772299015 581305189 /nfs/dbraw/zinc/30/51/89/581305189.db2.gz VIWRAYUTNOCKAM-AWEZNQCLSA-N 1 1 327.432 2.552 20 10 EFCDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773293835 581415119 /nfs/dbraw/zinc/41/51/19/581415119.db2.gz AFAIBQCAXZTEGO-MAUKXSAKSA-N 1 1 332.492 2.987 20 10 EFCDMO CCC[N@H+]1CC[C@@H](CNC(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1 ZINC000773369233 581423743 /nfs/dbraw/zinc/42/37/43/581423743.db2.gz CKZAHQUDDRKURG-CVEARBPZSA-N 1 1 332.492 2.845 20 10 EFCDMO C[C@H](NC(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000773394548 581426370 /nfs/dbraw/zinc/42/63/70/581426370.db2.gz ZXHMKSDOVIOZTA-DEYYWGMASA-N 1 1 330.476 2.596 20 10 EFCDMO CC[N@H+]1CCC[C@@H](CNC(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1 ZINC000773610657 581450367 /nfs/dbraw/zinc/45/03/67/581450367.db2.gz FLWFQNRJVYBYEN-CVEARBPZSA-N 1 1 332.492 2.845 20 10 EFCDMO CCN(C)c1ccc(C[N@H+]2C[C@@H](C(=O)NCCOC)CC[C@@H]2C)cc1 ZINC000773748922 581460983 /nfs/dbraw/zinc/46/09/83/581460983.db2.gz GEEDEPBFDDHNEM-WMZOPIPTSA-N 1 1 347.503 2.506 20 10 EFCDMO CCN(C)c1ccc(C[N@@H+](C)[C@@H]2CCN(CC(F)(F)F)C2=O)cc1 ZINC000773757881 581462068 /nfs/dbraw/zinc/46/20/68/581462068.db2.gz QZAFLKQWFHZJLR-OAHLLOKOSA-N 1 1 343.393 2.738 20 10 EFCDMO CCN(C)c1ccc(C[N@H+]2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)cc1 ZINC000773825011 581466318 /nfs/dbraw/zinc/46/63/18/581466318.db2.gz WBMCDUXJDWYGBC-VQTJNVASSA-N 1 1 342.487 2.964 20 10 EFCDMO C[NH+]1CCN(c2nc3ccccc3nc2NCc2ccccc2O)CC1 ZINC000774524401 581493239 /nfs/dbraw/zinc/49/32/39/581493239.db2.gz SCAKOSSAPBTUST-UHFFFAOYSA-N 1 1 349.438 2.699 20 10 EFCDMO COc1c(O)c(C[NH+]2CCc3ccccc3CC2)ccc1[N+](=O)[O-] ZINC000774889398 581503348 /nfs/dbraw/zinc/50/33/48/581503348.db2.gz TYJCKFGOPVQSER-UHFFFAOYSA-N 1 1 328.368 2.910 20 10 EFCDMO COc1c(O)c(C[N@H+](C)[C@H]2C[C@](C)(OC)C2(C)C)ccc1[N+](=O)[O-] ZINC000774916005 581504139 /nfs/dbraw/zinc/50/41/39/581504139.db2.gz XRHNBYQTZWBMFZ-GUYCJALGSA-N 1 1 338.404 2.944 20 10 EFCDMO COc1c(O)c(C[N@@H+](C)[C@H]2C[C@](C)(OC)C2(C)C)ccc1[N+](=O)[O-] ZINC000774916005 581504140 /nfs/dbraw/zinc/50/41/40/581504140.db2.gz XRHNBYQTZWBMFZ-GUYCJALGSA-N 1 1 338.404 2.944 20 10 EFCDMO CCOc1ccc(C[N@@H+](C)Cc2cccc(-c3nn[nH]n3)c2)c(O)c1 ZINC000825639644 608521080 /nfs/dbraw/zinc/52/10/80/608521080.db2.gz ZVPYVCWWSQAUFF-UHFFFAOYSA-N 1 1 339.399 2.603 20 10 EFCDMO CN(C)c1ccc(C[N@H+](Cc2ccc(-c3nn[nH]n3)o2)C2CC2)cc1 ZINC000825879904 608521958 /nfs/dbraw/zinc/52/19/58/608521958.db2.gz SDZANRLNNVGIFV-UHFFFAOYSA-N 1 1 338.415 2.690 20 10 EFCDMO CN(C)c1ccc(C[N@@H+](Cc2ccc(-c3nn[nH]n3)o2)C2CC2)cc1 ZINC000825879904 608521960 /nfs/dbraw/zinc/52/19/60/608521960.db2.gz SDZANRLNNVGIFV-UHFFFAOYSA-N 1 1 338.415 2.690 20 10 EFCDMO CCOc1cccc(C[N@@H+](C)Cc2ccc(-c3nn[nH]n3)cc2)c1O ZINC000825649450 608525790 /nfs/dbraw/zinc/52/57/90/608525790.db2.gz QAZDOKSHFSVWSY-UHFFFAOYSA-N 1 1 339.399 2.603 20 10 EFCDMO COc1cc(CNC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c(O)c(C(C)(C)C)c1 ZINC000850118473 1250291558 /nfs/dbraw/zinc/29/15/58/1250291558.db2.gz HJKLAUKOETVIMP-NVXWUHKLSA-N 1 1 348.487 2.651 20 10 EFCDMO COc1cc(CNC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c(O)c(C(C)(C)C)c1 ZINC000850118473 1250291570 /nfs/dbraw/zinc/29/15/70/1250291570.db2.gz HJKLAUKOETVIMP-NVXWUHKLSA-N 1 1 348.487 2.651 20 10 EFCDMO COc1cc(CNC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c(O)c(C(C)(C)C)c1 ZINC000850118470 1250292221 /nfs/dbraw/zinc/29/22/21/1250292221.db2.gz HJKLAUKOETVIMP-DOTOQJQBSA-N 1 1 348.487 2.651 20 10 EFCDMO COc1cc(CNC[C@@H]2C[N@H+]3CCC[C@H]3CO2)c(O)c(C(C)(C)C)c1 ZINC000850118470 1250292232 /nfs/dbraw/zinc/29/22/32/1250292232.db2.gz HJKLAUKOETVIMP-DOTOQJQBSA-N 1 1 348.487 2.651 20 10 EFCDMO CC[C@H](C)N1C(=O)C[C@]2(CCC[N@@H+](Cc3cc(F)ccc3O)C2)C1=O ZINC001273283915 1265475392 /nfs/dbraw/zinc/47/53/92/1265475392.db2.gz CBXSCKKUKJZJKH-DJJJIMSYSA-N 1 1 348.418 2.671 20 10 EFCDMO CCn1nc(C)c(C[NH2+]Cc2cc(OC)cc(C(C)(C)C)c2O)n1 ZINC000850331400 1250435746 /nfs/dbraw/zinc/43/57/46/1250435746.db2.gz YBBMGFGSCDDEOJ-UHFFFAOYSA-N 1 1 332.448 2.908 20 10 EFCDMO C[C@@H](C[NH+]1CCC(C)CC1)NCc1ccc(N2CCOCC2)cc1 ZINC000850386971 1250457397 /nfs/dbraw/zinc/45/73/97/1250457397.db2.gz NPGRTABEBNBGIH-SFHVURJKSA-N 1 1 331.504 2.733 20 10 EFCDMO CC(C)(C[NH2+]Cc1c(O)ccc(Cl)c1F)[C@]1(O)CCCOC1 ZINC000850401067 1250466790 /nfs/dbraw/zinc/46/67/90/1250466790.db2.gz UDJNEYMGVLWEIX-INIZCTEOSA-N 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/nfs/dbraw/zinc/21/80/10/1251218010.db2.gz JWKKLHGRZLPTSN-UHFFFAOYSA-N 1 1 333.457 2.620 20 10 EFCDMO COc1ccc(N2CCC[N@@H+](Cc3cc(C)nc(C)n3)CC2)cc1 ZINC000851733359 1251232633 /nfs/dbraw/zinc/23/26/33/1251232633.db2.gz SLGLQKKDIMRSBR-UHFFFAOYSA-N 1 1 326.444 2.814 20 10 EFCDMO COCCCCC(=O)NCCC1=CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC001089814760 1252832071 /nfs/dbraw/zinc/83/20/71/1252832071.db2.gz LJRONMGAXPWWCZ-UHFFFAOYSA-N 1 1 346.475 2.553 20 10 EFCDMO Oc1c(Br)cccc1CN1CC[NH+](C2CCC2)CC1 ZINC000769411308 1255972438 /nfs/dbraw/zinc/97/24/38/1255972438.db2.gz ISVMIMNVQWJTOP-UHFFFAOYSA-N 1 1 325.250 2.825 20 10 EFCDMO CC(C)NC(=O)NCC[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000828062884 1257019763 /nfs/dbraw/zinc/01/97/63/1257019763.db2.gz TWFMNLFAQDKYTD-UHFFFAOYSA-N 1 1 331.416 2.695 20 10 EFCDMO CC(C)NC(=O)NCC[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000828062884 1257019771 /nfs/dbraw/zinc/01/97/71/1257019771.db2.gz TWFMNLFAQDKYTD-UHFFFAOYSA-N 1 1 331.416 2.695 20 10 EFCDMO CC[C@H](C)N1C(=O)C[C@@]2(CCC[N@@H+](Cc3ccc(C)cc3O)C2)C1=O ZINC001272764981 1257678212 /nfs/dbraw/zinc/67/82/12/1257678212.db2.gz FKBNZWAPNFBGIN-MGPUTAFESA-N 1 1 344.455 2.840 20 10 EFCDMO CC[C@@H](C)N1C(=O)C[C@]2(CCC[N@@H+](Cc3ccc(C)cc3O)C2)C1=O ZINC001272764982 1257678581 /nfs/dbraw/zinc/67/85/81/1257678581.db2.gz FKBNZWAPNFBGIN-QRWLVFNGSA-N 1 1 344.455 2.840 20 10 EFCDMO COCCCOCC[N@@H+](C)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000091026163 1259525375 /nfs/dbraw/zinc/52/53/75/1259525375.db2.gz GBASSSVDRZCBQK-UHFFFAOYSA-N 1 1 325.449 2.880 20 10 EFCDMO Oc1c(F)cc(F)cc1C[NH2+]C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000708516172 1259757870 /nfs/dbraw/zinc/75/78/70/1259757870.db2.gz FDVQOBYNQFRXCG-QGZVFWFLSA-N 1 1 348.393 2.661 20 10 EFCDMO C[C@H](CNC(=O)OC(C)(C)C)C[NH2+]Cc1cc(F)cc(F)c1O ZINC000708516709 1259758651 /nfs/dbraw/zinc/75/86/51/1259758651.db2.gz KOONLEJKFIDBTF-JTQLQIEISA-N 1 1 330.375 2.921 20 10 EFCDMO [NH3+]C[C@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])CC12CCOCC2 ZINC000843125205 1260614809 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EFCDMO CS(=O)(=O)c1ccccc1C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922185250 1264793220 /nfs/dbraw/zinc/79/32/20/1264793220.db2.gz CHENFPATMQLPQO-UHFFFAOYSA-N 1 1 331.437 2.705 20 10 EFCDMO CO[C@H](C[NH2+]Cc1cccc(Br)c1O)C(F)(F)F ZINC000733329777 1265171259 /nfs/dbraw/zinc/17/12/59/1265171259.db2.gz LFPLCUJGVWCDMV-SECBINFHSA-N 1 1 328.128 2.822 20 10 EFCDMO CO[C@@H](C[NH2+]Cc1cccc(Br)c1O)C(F)(F)F ZINC000733329778 1265173196 /nfs/dbraw/zinc/17/31/96/1265173196.db2.gz LFPLCUJGVWCDMV-VIFPVBQESA-N 1 1 328.128 2.822 20 10 EFCDMO CCCN(Cc1ccccc1O)C(=O)c1cc([C@H]2CCC[N@@H+]2C)[nH]n1 ZINC000822899957 1265176353 /nfs/dbraw/zinc/17/63/53/1265176353.db2.gz CHBUBWFJFQUPQK-QGZVFWFLSA-N 1 1 342.443 2.934 20 10 EFCDMO CCCN(Cc1ccccc1O)C(=O)c1cc([C@H]2CCC[N@H+]2C)[nH]n1 ZINC000822899957 1265176359 /nfs/dbraw/zinc/17/63/59/1265176359.db2.gz CHBUBWFJFQUPQK-QGZVFWFLSA-N 1 1 342.443 2.934 20 10 EFCDMO CCCN(Cc1ccccc1O)C(=O)c1cc([C@@H]2CCC[N@@H+]2C)[nH]n1 ZINC000822899956 1265176707 /nfs/dbraw/zinc/17/67/07/1265176707.db2.gz CHBUBWFJFQUPQK-KRWDZBQOSA-N 1 1 342.443 2.934 20 10 EFCDMO CCCN(Cc1ccccc1O)C(=O)c1cc([C@@H]2CCC[N@H+]2C)[nH]n1 ZINC000822899956 1265176712 /nfs/dbraw/zinc/17/67/12/1265176712.db2.gz CHBUBWFJFQUPQK-KRWDZBQOSA-N 1 1 342.443 2.934 20 10 EFCDMO CO[C@H]1COCC[C@@H]1C[NH2+]Cc1cc(C)cc(Br)c1O ZINC000824709025 1278257864 /nfs/dbraw/zinc/25/78/64/1278257864.db2.gz MJROTVIVBMUSAH-RISCZKNCSA-N 1 1 344.249 2.604 20 10 EFCDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)NCc1ccc(N(C)C)cc1C ZINC000734532546 1267005939 /nfs/dbraw/zinc/00/59/39/1267005939.db2.gz OLXGCORXTQPMQR-GOSISDBHSA-N 1 1 332.492 2.735 20 10 EFCDMO CN1CC[C@@]2(CCC[N@@H+](Cc3ccc4c(c3)CCCN4C)CC2)C1=O ZINC001273321384 1267227690 /nfs/dbraw/zinc/22/76/90/1267227690.db2.gz YFKUVFFHYYBEIM-OAQYLSRUSA-N 1 1 341.499 2.903 20 10 EFCDMO Oc1cc(Br)ccc1C[N@H+]1CCS[C@H]2COCC[C@H]21 ZINC000824913435 1278341973 /nfs/dbraw/zinc/34/19/73/1278341973.db2.gz SLJKIFQEWLEVDA-OCCSQVGLSA-N 1 1 344.274 2.861 20 10 EFCDMO COc1ccc(N2CC[NH+](Cc3c(C4CC4)cnn3C)CC2)cc1F ZINC000824919953 1278354434 /nfs/dbraw/zinc/35/44/34/1278354434.db2.gz CEQGGFIBTGYFMG-UHFFFAOYSA-N 1 1 344.434 2.767 20 10 EFCDMO C[C@@H]1CN(Cc2ccc(N3CCCCC3)cc2)C[C@H](C)[N@@H+]1CCO ZINC000824925878 1278356162 /nfs/dbraw/zinc/35/61/62/1278356162.db2.gz HKLVDYBPAWXKGU-HDICACEKSA-N 1 1 331.504 2.564 20 10 EFCDMO C[C@@H]1C[N@@H+](Cc2ccc(N3CCCCC3)cc2)C[C@H](C)N1CCO ZINC000824925878 1278356175 /nfs/dbraw/zinc/35/61/75/1278356175.db2.gz HKLVDYBPAWXKGU-HDICACEKSA-N 1 1 331.504 2.564 20 10 EFCDMO C[C@@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)C[C@H](C)N1CCO ZINC000824925878 1278356191 /nfs/dbraw/zinc/35/61/91/1278356191.db2.gz HKLVDYBPAWXKGU-HDICACEKSA-N 1 1 331.504 2.564 20 10 EFCDMO OCC[N@@H+](Cc1cc(Br)ccc1O)C1CCSCC1 ZINC000825129979 1278422370 /nfs/dbraw/zinc/42/23/70/1278422370.db2.gz JCQOJMXIROITKG-UHFFFAOYSA-N 1 1 346.290 2.845 20 10 EFCDMO CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(Br)cc2[O-])C1 ZINC000825167485 1278432496 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CC(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001085994767 1269450181 /nfs/dbraw/zinc/45/01/81/1269450181.db2.gz UMAXCLXAJDFWAC-OAHLLOKOSA-N 1 1 331.420 2.651 20 10 EFCDMO CN(C[C@@H]1CC[N@H+]1CC1CCC1)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001085994838 1269450483 /nfs/dbraw/zinc/45/04/83/1269450483.db2.gz WHDJNLYDHVSUGN-INIZCTEOSA-N 1 1 343.431 2.795 20 10 EFCDMO Cc1cc([O-])c(C[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1Cl ZINC000825261048 1278489633 /nfs/dbraw/zinc/48/96/33/1278489633.db2.gz WXFZSPAEEKTMIF-OAHLLOKOSA-N 1 1 337.895 2.612 20 10 EFCDMO CCOc1cccc(C[N@@H+](CCO)Cc2c(O)cccc2OC)c1 ZINC000825300115 1278496476 /nfs/dbraw/zinc/49/64/76/1278496476.db2.gz WBILRHAUGWLACN-UHFFFAOYSA-N 1 1 331.412 2.794 20 10 EFCDMO CCOc1cccc(C[N@@H+](CCO)Cc2cccc(OC)c2O)c1 ZINC000825299790 1278496505 /nfs/dbraw/zinc/49/65/05/1278496505.db2.gz OJHNTOXWHQKOIP-UHFFFAOYSA-N 1 1 331.412 2.794 20 10 EFCDMO CCCCNC(=O)NC(=O)C[N@@H+](C)Cc1ccc(N(CC)CC)cc1 ZINC000741678493 1269654697 /nfs/dbraw/zinc/65/46/97/1269654697.db2.gz RIENZDFYGYCBCW-UHFFFAOYSA-N 1 1 348.491 2.591 20 10 EFCDMO CC[N@H+]1CCC[C@H]1CNC(=S)NCc1c(O)ccc2c1CCCC2 ZINC000741874039 1269745066 /nfs/dbraw/zinc/74/50/66/1269745066.db2.gz HQRWLUQJHDYURG-HNNXBMFYSA-N 1 1 347.528 2.719 20 10 EFCDMO CC(C)[N@H+]1CC[C@@H](N(C)Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000825332415 1278509124 /nfs/dbraw/zinc/50/91/24/1278509124.db2.gz WMBPFOLLYVCQMV-QGZVFWFLSA-N 1 1 335.467 2.577 20 10 EFCDMO CN(C(=O)c1ccc(N=NC(N)=O)cc1)[C@@H]1CC[N@H+](C/C=C\Cl)C1 ZINC001033699129 1269860167 /nfs/dbraw/zinc/86/01/67/1269860167.db2.gz LBNQQNSSXUYNFI-QPIOPKGTSA-N 1 1 349.822 2.748 20 10 EFCDMO CN(C(=O)c1ccc(N=NC(N)=O)cc1)[C@@H]1CC[N@@H+](C/C=C\Cl)C1 ZINC001033699129 1269860181 /nfs/dbraw/zinc/86/01/81/1269860181.db2.gz LBNQQNSSXUYNFI-QPIOPKGTSA-N 1 1 349.822 2.748 20 10 EFCDMO COc1cc(C[N@@H+](C)[C@@H](C)C[S@](C)=O)c(O)c(C(C)(C)C)c1 ZINC000825504890 1278573811 /nfs/dbraw/zinc/57/38/11/1278573811.db2.gz LMNYSLYEEOLLDP-YTEVENLXSA-N 1 1 327.490 2.897 20 10 EFCDMO COc1cc(C[N@@H+](C)[C@H](C)C[S@](C)=O)c(O)c(C(C)(C)C)c1 ZINC000825504888 1278574045 /nfs/dbraw/zinc/57/40/45/1278574045.db2.gz LMNYSLYEEOLLDP-IPQOISQHSA-N 1 1 327.490 2.897 20 10 EFCDMO Cc1cc(O)c(C[NH+]2CCN(c3ncc(F)cn3)CC2)cc1Cl ZINC000825514619 1278578639 /nfs/dbraw/zinc/57/86/39/1278578639.db2.gz QDBVESMYJNHNMK-UHFFFAOYSA-N 1 1 336.798 2.605 20 10 EFCDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2c(F)ccc(O)c2O)C1 ZINC000825521945 1278582633 /nfs/dbraw/zinc/58/26/33/1278582633.db2.gz HFCXBYOCJRELRE-GXTWGEPZSA-N 1 1 344.386 2.802 20 10 EFCDMO CCN(C(=O)c1ccc(N=NC(N)=O)cc1)[C@@H]1CC[N@@H+](CCCF)C1 ZINC001034052839 1270933112 /nfs/dbraw/zinc/93/31/12/1270933112.db2.gz MNWOGEFAUOYFDD-OAHLLOKOSA-N 1 1 349.410 2.745 20 10 EFCDMO Oc1cccc(F)c1C[N@@H+]1CC[C@@H](F)[C@](O)(C(F)(F)F)CC1 ZINC001137832797 1271381787 /nfs/dbraw/zinc/38/17/87/1271381787.db2.gz IBQWJEOKMUOFAH-OLZOCXBDSA-N 1 1 325.277 2.759 20 10 EFCDMO Oc1cccc(F)c1C[N@H+]1CC[C@@H](F)[C@](O)(C(F)(F)F)CC1 ZINC001137832797 1271381802 /nfs/dbraw/zinc/38/18/02/1271381802.db2.gz IBQWJEOKMUOFAH-OLZOCXBDSA-N 1 1 325.277 2.759 20 10 EFCDMO C[C@@H]1C[C@@H](NC(=O)NCc2ccc(N3CCCC3)cc2)CC[N@H+]1C ZINC000745578843 1271521614 /nfs/dbraw/zinc/52/16/14/1271521614.db2.gz XFFSPBHTJNNBTK-WBVHZDCISA-N 1 1 330.476 2.569 20 10 EFCDMO CCN(CC)c1ccc(CNC(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000745655334 1271552410 /nfs/dbraw/zinc/55/24/10/1271552410.db2.gz IGBNHGFRSUDTJF-WBVHZDCISA-N 1 1 332.492 2.815 20 10 EFCDMO CC[C@@H](C)C[N@H+]1CCCC[C@H](NC(=O)c2cc(OC)nc(OC)c2)C1 ZINC001034287810 1271565169 /nfs/dbraw/zinc/56/51/69/1271565169.db2.gz ANXXQOAGNBPLIZ-ZBFHGGJFSA-N 1 1 349.475 2.729 20 10 EFCDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)NCc2ccc(N(C)C)cc2C)C1 ZINC000745827279 1271649983 /nfs/dbraw/zinc/64/99/83/1271649983.db2.gz DZCMFBRHLVMACM-QGZVFWFLSA-N 1 1 346.519 2.934 20 10 EFCDMO [O-]c1cccc(F)c1C[N@@H+]1C[C@H]2CN(Cc3nccs3)C[C@H]2C1 ZINC001137834270 1272461185 /nfs/dbraw/zinc/46/11/85/1272461185.db2.gz AKIIULMNFVNHKU-BETUJISGSA-N 1 1 333.432 2.552 20 10 EFCDMO Oc1cccc(F)c1C[N@H+]1C[C@H]2CN(Cc3nccs3)C[C@H]2C1 ZINC001137834270 1272461190 /nfs/dbraw/zinc/46/11/90/1272461190.db2.gz AKIIULMNFVNHKU-BETUJISGSA-N 1 1 333.432 2.552 20 10 EFCDMO Oc1cccc(F)c1C[N@@H+]1C[C@H]2CN(Cc3nccs3)C[C@H]2C1 ZINC001137834270 1272461194 /nfs/dbraw/zinc/46/11/94/1272461194.db2.gz AKIIULMNFVNHKU-BETUJISGSA-N 1 1 333.432 2.552 20 10 EFCDMO C[C@@H]1C[N@H+](Cc2c([O-])cccc2Br)CCC[C@@H]1C[NH3+] ZINC001206003148 1272721294 /nfs/dbraw/zinc/72/12/94/1272721294.db2.gz FKQOXZIDBIKFCC-VXGBXAGGSA-N 1 1 327.266 2.962 20 10 EFCDMO C[C@@H]1C[N@@H+](Cc2c([O-])cccc2Br)CCC[C@@H]1C[NH3+] ZINC001206003148 1272721302 /nfs/dbraw/zinc/72/13/02/1272721302.db2.gz FKQOXZIDBIKFCC-VXGBXAGGSA-N 1 1 327.266 2.962 20 10 EFCDMO CC[N@H+]1CCC2(C1)CCN(C(=O)c1ccc(N=NC(N)=O)cc1)CC2 ZINC001035260505 1273955881 /nfs/dbraw/zinc/95/58/81/1273955881.db2.gz XIHMWDLHFREBOZ-UHFFFAOYSA-N 1 1 343.431 2.797 20 10 EFCDMO [O-]c1cc(Br)ccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000691447765 1274087609 /nfs/dbraw/zinc/08/76/09/1274087609.db2.gz VSRLAACTPQQDBX-KGLIPLIRSA-N 1 1 325.250 2.871 20 10 EFCDMO [O-]c1cc(Br)ccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000691447765 1274087618 /nfs/dbraw/zinc/08/76/18/1274087618.db2.gz VSRLAACTPQQDBX-KGLIPLIRSA-N 1 1 325.250 2.871 20 10 EFCDMO C[N@@H+]1CCCC[C@H](C[NH2+]Cc2ccc(Br)cc2[O-])C1 ZINC000706059864 1274357167 /nfs/dbraw/zinc/35/71/67/1274357167.db2.gz PISHTJPETATOMV-GFCCVEGCSA-N 1 1 327.266 2.976 20 10 EFCDMO C[N@H+]1CCCC[C@H](C[NH2+]Cc2ccc(Br)cc2[O-])C1 ZINC000706059864 1274357172 /nfs/dbraw/zinc/35/71/72/1274357172.db2.gz PISHTJPETATOMV-GFCCVEGCSA-N 1 1 327.266 2.976 20 10 EFCDMO CC[NH+]1CCC(C[NH2+]Cc2ccc(Br)cc2[O-])CC1 ZINC000691488556 1274717984 /nfs/dbraw/zinc/71/79/84/1274717984.db2.gz MRGMZTILHFROHT-UHFFFAOYSA-N 1 1 327.266 2.976 20 10 EFCDMO Cc1cc(C(=O)C[N@H+]2CC[C@H](C)[C@H]2CO)c(C)n1-c1ccccc1 ZINC000785514652 1275106176 /nfs/dbraw/zinc/10/61/76/1275106176.db2.gz DMHRQSDIMCRDDQ-IFXJQAMLSA-N 1 1 326.440 2.980 20 10 EFCDMO Cc1cc(C(=O)C[N@@H+]2CC[C@H](C)[C@H]2CO)c(C)n1-c1ccccc1 ZINC000785514652 1275106180 /nfs/dbraw/zinc/10/61/80/1275106180.db2.gz DMHRQSDIMCRDDQ-IFXJQAMLSA-N 1 1 326.440 2.980 20 10 EFCDMO C[C@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)[C@@H]1CO ZINC000785984224 1275266105 /nfs/dbraw/zinc/26/61/05/1275266105.db2.gz JYQMQZWEHCYZJT-KBXCAEBGSA-N 1 1 333.432 2.788 20 10 EFCDMO CNC(=O)c1ccc(C[N@@H+](C)CCN(C)c2ccc(OC)cc2)cc1 ZINC000844399863 1278947657 /nfs/dbraw/zinc/94/76/57/1278947657.db2.gz QPIGUMYFCWMAMQ-UHFFFAOYSA-N 1 1 341.455 2.623 20 10 EFCDMO COc1ccc(N(C)CC[N@@H+](C)CC2CCC3(CC2)OCCO3)cc1 ZINC000844400759 1278948089 /nfs/dbraw/zinc/94/80/89/1278948089.db2.gz DXKCLWONLHJXBL-UHFFFAOYSA-N 1 1 348.487 2.997 20 10 EFCDMO COc1ccc(N(C)CC[N@@H+](C)C[C@H](O)c2cccc(F)c2)cc1 ZINC000844399619 1278949637 /nfs/dbraw/zinc/94/96/37/1278949637.db2.gz LWDNFOZGXMONSR-IBGZPJMESA-N 1 1 332.419 2.936 20 10 EFCDMO COc1ccc(N(C)CC[N@H+](C)[C@@H](C)c2nc(C)cc(=O)[nH]2)cc1 ZINC000844401466 1278950568 /nfs/dbraw/zinc/95/05/68/1278950568.db2.gz MCHBBBUWXFZVDS-AWEZNQCLSA-N 1 1 330.432 2.628 20 10 EFCDMO COc1ccc(N(C)CC[N@@H+](C)[C@@H](C)c2nc(C)cc(=O)[nH]2)cc1 ZINC000844401466 1278950576 /nfs/dbraw/zinc/95/05/76/1278950576.db2.gz MCHBBBUWXFZVDS-AWEZNQCLSA-N 1 1 330.432 2.628 20 10 EFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H](CO)Cc2ccccc2C)c1 ZINC000786580763 1275434563 /nfs/dbraw/zinc/43/45/63/1275434563.db2.gz CXOCERIHVPFSOC-YOEHRIQHSA-N 1 1 343.423 2.741 20 10 EFCDMO COc1ccc(N(C)CC[N@@H+](C)Cc2cc(=O)[nH]c(C3CC3)n2)cc1 ZINC000844401375 1278951604 /nfs/dbraw/zinc/95/16/04/1278951604.db2.gz KGYIYVFPAKYPEO-UHFFFAOYSA-N 1 1 342.443 2.636 20 10 EFCDMO C[C@H]1C[N@@H+](C2CCOCC2)CCN1Cc1cc(Cl)cc(F)c1O ZINC000787301468 1275749650 /nfs/dbraw/zinc/74/96/50/1275749650.db2.gz CVEBSTNDLNDWPC-LBPRGKRZSA-N 1 1 342.842 2.870 20 10 EFCDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1Cc1cc(Cl)cc(F)c1O ZINC000787301468 1275749654 /nfs/dbraw/zinc/74/96/54/1275749654.db2.gz CVEBSTNDLNDWPC-LBPRGKRZSA-N 1 1 342.842 2.870 20 10 EFCDMO COC(=O)[C@H]1CC[N@@H+](Cc2cc(Br)ccc2O)[C@@H]1C ZINC000787422085 1275770580 /nfs/dbraw/zinc/77/05/80/1275770580.db2.gz ZBSDKDUAFXMBQV-SKDRFNHKSA-N 1 1 328.206 2.538 20 10 EFCDMO CCN(CC)c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)cc1F ZINC000787425314 1275772199 /nfs/dbraw/zinc/77/21/99/1275772199.db2.gz VDFLCEKKHBSILN-HDMKZQKVSA-N 1 1 333.451 2.758 20 10 EFCDMO CCN(CC)c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)cc1F ZINC000787425309 1275772501 /nfs/dbraw/zinc/77/25/01/1275772501.db2.gz VDFLCEKKHBSILN-DAYGRLMNSA-N 1 1 333.451 2.758 20 10 EFCDMO CC[N@H+]1CCC[C@@H]1CNC(=S)NCc1ccc2c(c1)CCCN2C ZINC000746688808 1275802225 /nfs/dbraw/zinc/80/22/25/1275802225.db2.gz FSWJFNDPOWMTIC-QGZVFWFLSA-N 1 1 346.544 2.517 20 10 EFCDMO O=C(CNc1cc(N2CCCCC2)cc[nH+]1)c1ccc(O)c(O)c1 ZINC001170317083 1279011088 /nfs/dbraw/zinc/01/10/88/1279011088.db2.gz YDXAYWJREQYUNP-UHFFFAOYSA-N 1 1 327.384 2.778 20 10 EFCDMO O=C(CNc1cc[nH+]c(N2CCCCC2)c1)c1ccc(O)c(O)c1 ZINC001170315369 1279009349 /nfs/dbraw/zinc/00/93/49/1279009349.db2.gz WKNMMGIUKMPSBR-UHFFFAOYSA-N 1 1 327.384 2.778 20 10 EFCDMO C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000788561138 1276218953 /nfs/dbraw/zinc/21/89/53/1276218953.db2.gz FPHMXOUJIQHSHJ-GFCCVEGCSA-N 1 1 346.393 2.908 20 10 EFCDMO CCN1CCN(c2ccc(C[NH2+][C@@H](C)C(C)(C)OC)cc2F)CC1 ZINC000788592074 1276234337 /nfs/dbraw/zinc/23/43/37/1276234337.db2.gz AEACETVUBKXSAT-HNNXBMFYSA-N 1 1 337.483 2.871 20 10 EFCDMO Cc1cc(C(=O)N(C)C[C@H]2CCC[N@H+]2C)c(C)n1-c1ccccn1 ZINC000817677352 1276270073 /nfs/dbraw/zinc/27/00/73/1276270073.db2.gz RSNYCMZSOOQNAP-MRXNPFEDSA-N 1 1 326.444 2.655 20 10 EFCDMO Cc1cc(C(=O)N(C)C[C@@H]2CCC[N@H+]2C)c(C)n1-c1ccccn1 ZINC000817677351 1276270321 /nfs/dbraw/zinc/27/03/21/1276270321.db2.gz RSNYCMZSOOQNAP-INIZCTEOSA-N 1 1 326.444 2.655 20 10 EFCDMO C[C@H]1CN(c2ccccc2F)CC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000788785197 1276331694 /nfs/dbraw/zinc/33/16/94/1276331694.db2.gz WXAHNITULSHRPY-ZDUSSCGKSA-N 1 1 344.386 2.971 20 10 EFCDMO C[C@@H]1CN(c2ccc(CNC3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2F)C[C@H](C)O1 ZINC000817890527 1276347759 /nfs/dbraw/zinc/34/77/59/1276347759.db2.gz ZQIICYNUKYWUGL-SSAZZLEASA-N 1 1 347.478 2.812 20 10 EFCDMO C[C@@H]1C[C@@H](C)[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@@H]1C[NH3+] ZINC000817865651 1276351510 /nfs/dbraw/zinc/35/15/10/1276351510.db2.gz MJLBMFMXVVHJKV-FOGDFJRCSA-N 1 1 327.812 2.759 20 10 EFCDMO c1cc(N2CCCC2)ccc1CN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000817898532 1276366419 /nfs/dbraw/zinc/36/64/19/1276366419.db2.gz IHQWMDAECVTVQD-HSALFYBXSA-N 1 1 329.488 2.534 20 10 EFCDMO CCN(CC)c1ccc(CN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1F ZINC000817903263 1276367171 /nfs/dbraw/zinc/36/71/71/1276367171.db2.gz LOJLNNLZJGNQBV-YTQUADARSA-N 1 1 349.494 2.919 20 10 EFCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@H]2NCCc3ccccc32)c1 ZINC000817973051 1276416012 /nfs/dbraw/zinc/41/60/12/1276416012.db2.gz BCTKGVYVDAJWGR-FZKQIMNGSA-N 1 1 340.423 2.716 20 10 EFCDMO Cc1cc(C[NH+]2CCN(C(=O)N3CCCCC3)CC2)ccc1N(C)C ZINC000815009009 1287243999 /nfs/dbraw/zinc/24/39/99/1287243999.db2.gz WTRLKAKDPDUUIB-UHFFFAOYSA-N 1 1 344.503 2.785 20 10 EFCDMO O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1c(F)ccc(O)c1O ZINC000789956850 1277121997 /nfs/dbraw/zinc/12/19/97/1277121997.db2.gz IJZXEOCDCYQLEZ-CQSZACIVSA-N 1 1 344.386 2.631 20 10 EFCDMO CN(C)c1ccc(CN2CC[C@@]3(CC[N@@H+](CCC4CC4)C3)C2=O)cc1 ZINC001273163850 1277154972 /nfs/dbraw/zinc/15/49/72/1277154972.db2.gz DMTRFONJDSKCSF-OAQYLSRUSA-N 1 1 341.499 2.977 20 10 EFCDMO CN(C)c1ccc(CN2CC[C@]3(CC[N@@H+](CCC4CC4)C3)C2=O)cc1 ZINC001273163847 1277155655 /nfs/dbraw/zinc/15/56/55/1277155655.db2.gz DMTRFONJDSKCSF-NRFANRHFSA-N 1 1 341.499 2.977 20 10 EFCDMO O=C1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccc(Cl)cc2O)N1CC(F)F ZINC001273164174 1277176938 /nfs/dbraw/zinc/17/69/38/1277176938.db2.gz RQSTZUFJIJPRTH-CHWSQXEVSA-N 1 1 344.789 2.876 20 10 EFCDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000820680240 1277275433 /nfs/dbraw/zinc/27/54/33/1277275433.db2.gz FYYQLEHIPBQNAZ-CABCVRRESA-N 1 1 329.404 2.548 20 10 EFCDMO O=C(NCc1c(O)ccc2c1CCCC2)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000821070884 1277426027 /nfs/dbraw/zinc/42/60/27/1277426027.db2.gz PQPBKIGIKOZYJH-SFHVURJKSA-N 1 1 328.456 2.904 20 10 EFCDMO CN1CCN(c2ccc(C[NH2+]C[C@H]3N(C)CCCC3(C)C)cc2)CC1 ZINC000790485465 1277596803 /nfs/dbraw/zinc/59/68/03/1277596803.db2.gz LXEDOXYSLJGZER-HXUWFJFHSA-N 1 1 344.547 2.648 20 10 EFCDMO Cc1cc(C[N@@H+](C)[C@H]2CCCC[C@H]2S(C)(=O)=O)ccc1N(C)C ZINC000815071023 1287295925 /nfs/dbraw/zinc/29/59/25/1287295925.db2.gz CMSQRAGMBSYBOL-ZWKOTPCHSA-N 1 1 338.517 2.849 20 10 EFCDMO Cc1cc(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)ccc1N(C)C ZINC000815074257 1287301043 /nfs/dbraw/zinc/30/10/43/1287301043.db2.gz NMHVIFJRPRLKMO-DFQSSKMNSA-N 1 1 331.504 2.745 20 10 EFCDMO COc1c(O)c(C[NH2+]C[C@@H]2N(C)CCCC2(C)C)ccc1[N+](=O)[O-] ZINC000790927767 1277849760 /nfs/dbraw/zinc/84/97/60/1277849760.db2.gz NECSJACTKJZKLT-AWEZNQCLSA-N 1 1 337.420 2.519 20 10 EFCDMO C[C@H](O)C[C@H]1CCCC[N@@H+]1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000790934310 1277853331 /nfs/dbraw/zinc/85/33/31/1277853331.db2.gz KHKARUHHZGHOSL-FXAWDEMLSA-N 1 1 331.504 2.564 20 10 EFCDMO C[C@H](O)C[C@H]1CCCC[N@H+]1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000790934310 1277853333 /nfs/dbraw/zinc/85/33/33/1277853333.db2.gz KHKARUHHZGHOSL-FXAWDEMLSA-N 1 1 331.504 2.564 20 10 EFCDMO C[C@@H](O)C[C@@H]1CCCC[N@@H+]1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000790934314 1277853430 /nfs/dbraw/zinc/85/34/30/1277853430.db2.gz KHKARUHHZGHOSL-XLIONFOSSA-N 1 1 331.504 2.564 20 10 EFCDMO C[C@@H](O)C[C@@H]1CCCC[N@H+]1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000790934314 1277853432 /nfs/dbraw/zinc/85/34/32/1277853432.db2.gz KHKARUHHZGHOSL-XLIONFOSSA-N 1 1 331.504 2.564 20 10 EFCDMO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)c1cccc(O)c1O ZINC000790910760 1277865954 /nfs/dbraw/zinc/86/59/54/1277865954.db2.gz AYBHAPVAWMFSJM-HUUCEWRRSA-N 1 1 340.423 2.833 20 10 EFCDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)c1cccc(O)c1O ZINC000790910760 1277865958 /nfs/dbraw/zinc/86/59/58/1277865958.db2.gz AYBHAPVAWMFSJM-HUUCEWRRSA-N 1 1 340.423 2.833 20 10 EFCDMO Oc1ccc(Cl)c(F)c1C[NH2+][C@H]1CCN(CC(F)(F)F)C1 ZINC000790962161 1277882305 /nfs/dbraw/zinc/88/23/05/1277882305.db2.gz GSNONSKGMXBJPT-QMMMGPOBSA-N 1 1 326.721 2.911 20 10 EFCDMO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]Cc2c(O)ccc(Cl)c2F)C1 ZINC000790971380 1277887634 /nfs/dbraw/zinc/88/76/34/1277887634.db2.gz WEJDCEJYXYRKQZ-VHSXEESVSA-N 1 1 335.828 2.630 20 10 EFCDMO CCO[C@@H]1C[C@](CO)([NH2+]Cc2c(O)ccc(Cl)c2F)C1(C)C ZINC000790992499 1277894973 /nfs/dbraw/zinc/89/49/73/1277894973.db2.gz LYDSXRZJJJTZQQ-CZUORRHYSA-N 1 1 331.815 2.840 20 10 EFCDMO Oc1ccc(Cl)c(F)c1C[NH2+][C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC000790977728 1277908686 /nfs/dbraw/zinc/90/86/86/1277908686.db2.gz RIHXVSVABFVVKE-CABCVRRESA-N 1 1 342.842 2.918 20 10 EFCDMO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)C[C@H]1CCCS(=O)(=O)C1 ZINC000792861287 1279198068 /nfs/dbraw/zinc/19/80/68/1279198068.db2.gz AJLARNYJHXXZEN-QGZVFWFLSA-N 1 1 338.517 2.788 20 10 EFCDMO COc1ccc(N(C)CC[N@H+](C)CN2C(=O)CC23CCCC3)cc1 ZINC000844725202 1279202161 /nfs/dbraw/zinc/20/21/61/1279202161.db2.gz ICNZUHOWZFCOMK-UHFFFAOYSA-N 1 1 331.460 2.566 20 10 EFCDMO COc1ccc(N(C)CC[N@@H+](C)CN2C(=O)CC23CCCC3)cc1 ZINC000844725202 1279202169 /nfs/dbraw/zinc/20/21/69/1279202169.db2.gz ICNZUHOWZFCOMK-UHFFFAOYSA-N 1 1 331.460 2.566 20 10 EFCDMO COc1ccc(N(C)CC[N@H+](C)CN2C(=O)C(C)(C)[C@@H]2C2CC2)cc1 ZINC000844725858 1279203789 /nfs/dbraw/zinc/20/37/89/1279203789.db2.gz PUMSVZWFYUNKNS-SFHVURJKSA-N 1 1 345.487 2.668 20 10 EFCDMO COc1ccc(N(C)CC[N@@H+](C)CN2C(=O)C(C)(C)[C@@H]2C2CC2)cc1 ZINC000844725858 1279203796 /nfs/dbraw/zinc/20/37/96/1279203796.db2.gz PUMSVZWFYUNKNS-SFHVURJKSA-N 1 1 345.487 2.668 20 10 EFCDMO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3c([O-])ccc(Cl)c3F)C2)C1 ZINC000844902511 1279323363 /nfs/dbraw/zinc/32/33/63/1279323363.db2.gz OIPDXHLPNHBUAF-HSMVNMDESA-N 1 1 342.842 2.903 20 10 EFCDMO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3c([O-])ccc(Cl)c3F)C2)C1 ZINC000844902514 1279323863 /nfs/dbraw/zinc/32/38/63/1279323863.db2.gz OIPDXHLPNHBUAF-XHBSWPGZSA-N 1 1 342.842 2.903 20 10 EFCDMO C[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])[C@@H]1CC[NH3+] ZINC000844902609 1279325269 /nfs/dbraw/zinc/32/52/69/1279325269.db2.gz SYGCDSXRFLBGAP-ZWNOBZJWSA-N 1 1 327.812 2.903 20 10 EFCDMO CC[N@H+]1CCCC[C@H]1CNC(=O)NCc1cc(Cl)ccc1O ZINC000844969246 1279367225 /nfs/dbraw/zinc/36/72/25/1279367225.db2.gz NOPIFXGBRJUTAO-AWEZNQCLSA-N 1 1 325.840 2.719 20 10 EFCDMO OC[C@@H]1CCC[N@H+](Cc2cc(Br)c(F)cc2O)CC1 ZINC001144299417 1279386043 /nfs/dbraw/zinc/38/60/43/1279386043.db2.gz WPSSDOFZVBDSLM-SNVBAGLBSA-N 1 1 332.213 2.888 20 10 EFCDMO OC[C@@H]1CCC[N@@H+](Cc2cc(Br)c(F)cc2O)CC1 ZINC001144299417 1279386052 /nfs/dbraw/zinc/38/60/52/1279386052.db2.gz WPSSDOFZVBDSLM-SNVBAGLBSA-N 1 1 332.213 2.888 20 10 EFCDMO C[C@@H]1CC[N@H+](Cc2cc(Br)c(F)cc2O)CC[C@@H]1O ZINC001144299275 1279387084 /nfs/dbraw/zinc/38/70/84/1279387084.db2.gz ULZFJMGESFAELT-RNCFNFMXSA-N 1 1 332.213 2.887 20 10 EFCDMO C[C@@H]1CC[N@@H+](Cc2cc(Br)c(F)cc2O)CC[C@@H]1O ZINC001144299275 1279387095 /nfs/dbraw/zinc/38/70/95/1279387095.db2.gz ULZFJMGESFAELT-RNCFNFMXSA-N 1 1 332.213 2.887 20 10 EFCDMO C[C@@H]1C[N@H+](Cc2cc(Br)c(F)cc2O)CCC[C@@H]1O ZINC001144298844 1279387938 /nfs/dbraw/zinc/38/79/38/1279387938.db2.gz LANOXCYYKROFLS-RNCFNFMXSA-N 1 1 332.213 2.887 20 10 EFCDMO C[C@@H]1C[N@@H+](Cc2cc(Br)c(F)cc2O)CCC[C@@H]1O ZINC001144298844 1279387945 /nfs/dbraw/zinc/38/79/45/1279387945.db2.gz LANOXCYYKROFLS-RNCFNFMXSA-N 1 1 332.213 2.887 20 10 EFCDMO CN(CC[NH+]1CCCC1)Cc1cc(Br)c(F)cc1O ZINC001144306596 1279403530 /nfs/dbraw/zinc/40/35/30/1279403530.db2.gz IGJGIGOQAORWJY-UHFFFAOYSA-N 1 1 331.229 2.821 20 10 EFCDMO C[N@@H+]1CCN(Cc2cc(Br)c(F)cc2O)CC1(C)C ZINC001144306407 1279404237 /nfs/dbraw/zinc/40/42/37/1279404237.db2.gz APMXNFJNEZWBSN-UHFFFAOYSA-N 1 1 331.229 2.820 20 10 EFCDMO 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CC[N@H+]1CCN(Cc2cc(Br)c(OC)cc2O)[C@H](C)C1 ZINC001233142459 1312865240 /nfs/dbraw/zinc/86/52/40/1312865240.db2.gz PDCDYUVBBPMVOJ-LLVKDONJSA-N 1 1 343.265 2.689 20 10 EFCDMO COC(=O)c1occc1C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775260211 1291733567 /nfs/dbraw/zinc/73/35/67/1291733567.db2.gz NZYBIINHBHHXGE-AWEZNQCLSA-N 1 1 344.411 2.754 20 10 EFCDMO CCCn1c(C)nnc1C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775261164 1291735705 /nfs/dbraw/zinc/73/57/05/1291735705.db2.gz SXOXESNKDAUVTF-HNNXBMFYSA-N 1 1 343.475 2.684 20 10 EFCDMO Cc1cc(C[NH2+][C@H](c2nccn2C)C(C)(C)CO)ccc1N(C)C ZINC000878872666 1291837128 /nfs/dbraw/zinc/83/71/28/1291837128.db2.gz YDGSTUFMWPVWCU-QGZVFWFLSA-N 1 1 330.476 2.644 20 10 EFCDMO CCOC(=O)c1c(C[N@H+]2CCC[C@H](OC)C2)c2ccccc2n1C ZINC001233270712 1312889772 /nfs/dbraw/zinc/88/97/72/1312889772.db2.gz XQAQNIDINDXYET-AWEZNQCLSA-N 1 1 330.428 2.966 20 10 EFCDMO CCOC(=O)c1c(C[N@H+]2CCC[C@@H](O)[C@H](C)C2)c2ccccc2n1C ZINC001233270642 1312890066 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EFCDMO CN(C)C(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@H+]2Cc2cc(C(C)(C)C)ccc2O)O1 ZINC001233285257 1312894978 /nfs/dbraw/zinc/89/49/78/1312894978.db2.gz ZDSHYQGRHMIOIV-NXHRZFHOSA-N 1 1 346.471 2.510 20 10 EFCDMO CCO[C@@H]1C[C@H]2CN(Cc3cc(C(C)(C)C)ccc3O)CC[N@H+]2C1 ZINC001233285503 1312895437 /nfs/dbraw/zinc/89/54/37/1312895437.db2.gz IJFKLYZAQMTJQY-ZWKOTPCHSA-N 1 1 332.488 2.985 20 10 EFCDMO CCO[C@@H]1C[C@H]2C[N@H+](Cc3cc(C(C)(C)C)ccc3O)CCN2C1 ZINC001233285503 1312895441 /nfs/dbraw/zinc/89/54/41/1312895441.db2.gz IJFKLYZAQMTJQY-ZWKOTPCHSA-N 1 1 332.488 2.985 20 10 EFCDMO CCO[C@@H]1C[C@H]2C[N@@H+](Cc3cc(C(C)(C)C)ccc3O)CCN2C1 ZINC001233285503 1312895445 /nfs/dbraw/zinc/89/54/45/1312895445.db2.gz IJFKLYZAQMTJQY-ZWKOTPCHSA-N 1 1 332.488 2.985 20 10 EFCDMO COC(=O)[C@H]1C[C@@H]2COC[C@H](C1)[N@@H+]2Cc1cc(C(C)(C)C)ccc1O ZINC001233286542 1312895757 /nfs/dbraw/zinc/89/57/57/1312895757.db2.gz YGFPRUQKCVWVSL-AYGBPOKTSA-N 1 1 347.455 2.842 20 10 EFCDMO COC(=O)[C@H]1C[C@@H]2COC[C@H](C1)[N@H+]2Cc1cc(C(C)(C)C)ccc1O ZINC001233286542 1312895760 /nfs/dbraw/zinc/89/57/60/1312895760.db2.gz YGFPRUQKCVWVSL-AYGBPOKTSA-N 1 1 347.455 2.842 20 10 EFCDMO CC(C)(C)c1ccc(O)c(C[N@@H+]2CCC[C@@H](S(C)(=O)=O)C2)c1 ZINC001233286795 1312895845 /nfs/dbraw/zinc/89/58/45/1312895845.db2.gz IXYMRZMGDSRMTK-OAHLLOKOSA-N 1 1 325.474 2.699 20 10 EFCDMO CC(C)(C)c1ccc(O)c(C[N@H+]2CCC[C@@H](S(C)(=O)=O)C2)c1 ZINC001233286795 1312895849 /nfs/dbraw/zinc/89/58/49/1312895849.db2.gz IXYMRZMGDSRMTK-OAHLLOKOSA-N 1 1 325.474 2.699 20 10 EFCDMO COc1cc(Cl)cc(C[N@H+]2CC[C@@H](Oc3nccc(C)n3)C2)c1O ZINC001233291024 1312896125 /nfs/dbraw/zinc/89/61/25/1312896125.db2.gz HVCKCLYPEXYTPD-CQSZACIVSA-N 1 1 349.818 2.806 20 10 EFCDMO COc1cc(Cl)cc(CN2CC([NH+]3CCC(F)(F)CC3)C2)c1O ZINC001233290306 1312896859 /nfs/dbraw/zinc/89/68/59/1312896859.db2.gz VUBAOSCBOSKXRP-UHFFFAOYSA-N 1 1 346.805 2.970 20 10 EFCDMO C[C@H]([NH2+]Cc1cn(Cc2cccnc2)nn1)c1ccc(N(C)C)cc1 ZINC000775364384 1292021001 /nfs/dbraw/zinc/02/10/01/1292021001.db2.gz PUUVJAGLNOTQPM-HNNXBMFYSA-N 1 1 336.443 2.638 20 10 EFCDMO COCCOc1ccc(N2CC[NH+](Cc3cc(C)ns3)CC2)cc1 ZINC001233313442 1312900957 /nfs/dbraw/zinc/90/09/57/1312900957.db2.gz WPEAVJYZWVNQSE-UHFFFAOYSA-N 1 1 347.484 2.799 20 10 EFCDMO CCOC(=O)c1ccnc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)c1 ZINC001233327433 1312904277 /nfs/dbraw/zinc/90/42/77/1312904277.db2.gz TTWJWOONPBPSFR-UHFFFAOYSA-N 1 1 327.428 2.956 20 10 EFCDMO COc1ccc(N2CCN(CC[C@@H]3CCCC[N@H+]3C)CC2)c(OC)c1 ZINC000879463706 1292146263 /nfs/dbraw/zinc/14/62/63/1292146263.db2.gz NGSKLRKBGCAFBT-KRWDZBQOSA-N 1 1 347.503 2.700 20 10 EFCDMO COc1ccc(N2CC[NH+](Cc3cccc4nccn43)CC2)c(C)c1 ZINC001233364037 1312911627 /nfs/dbraw/zinc/91/16/27/1312911627.db2.gz MRBGABAJCSJKRK-UHFFFAOYSA-N 1 1 336.439 2.974 20 10 EFCDMO COC(=O)[C@]1(C)CCC[N@@H+](Cc2ccc(Br)cc2O)C1 ZINC000826123861 1292267852 /nfs/dbraw/zinc/26/78/52/1292267852.db2.gz WETCTHHNZFVGSW-OAHLLOKOSA-N 1 1 342.233 2.930 20 10 EFCDMO CN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cccc(C(F)(F)F)c1O ZINC001233417258 1312927908 /nfs/dbraw/zinc/92/79/08/1312927908.db2.gz OERRSHGNLBLREH-MRXNPFEDSA-N 1 1 342.361 2.998 20 10 EFCDMO CN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cccc(C(F)(F)F)c1O ZINC001233417258 1312927912 /nfs/dbraw/zinc/92/79/12/1312927912.db2.gz OERRSHGNLBLREH-MRXNPFEDSA-N 1 1 342.361 2.998 20 10 EFCDMO CN1C(=O)CCC12CC[NH+](Cc1cccc(C(F)(F)F)c1O)CC2 ZINC001233419977 1312928458 /nfs/dbraw/zinc/92/84/58/1312928458.db2.gz VBFVFNBUAGWERR-UHFFFAOYSA-N 1 1 342.361 2.998 20 10 EFCDMO CN(C)C(=O)[C@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2O)C1 ZINC001233453957 1312935038 /nfs/dbraw/zinc/93/50/38/1312935038.db2.gz AIUANWHJAOKJMI-LBPRGKRZSA-N 1 1 330.350 2.711 20 10 EFCDMO CCOC(=O)[C@@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2O)CCS1 ZINC001233455476 1312935590 /nfs/dbraw/zinc/93/55/90/1312935590.db2.gz MHWODCLPFMSPHD-ZDUSSCGKSA-N 1 1 349.374 2.892 20 10 EFCDMO CN1C(=O)CC[C@H]2C[N@H+](Cc3ccc(C(F)(F)F)cc3O)CC[C@H]21 ZINC001233455288 1312935917 /nfs/dbraw/zinc/93/59/17/1312935917.db2.gz DSDFDACICOIJON-SMDDNHRTSA-N 1 1 342.361 2.854 20 10 EFCDMO CC(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccc(C(F)(F)F)cc2O)C1 ZINC001233455365 1312935967 /nfs/dbraw/zinc/93/59/67/1312935967.db2.gz HVEGAKQYYOXCOB-CQSZACIVSA-N 1 1 330.350 2.854 20 10 EFCDMO CCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2O)C1 ZINC001233455300 1312936184 /nfs/dbraw/zinc/93/61/84/1312936184.db2.gz FGIJJIZEQSQUBI-CYBMUJFWSA-N 1 1 330.350 2.902 20 10 EFCDMO Oc1cc(O)c(CN2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1O ZINC001233487192 1312940141 /nfs/dbraw/zinc/94/01/41/1312940141.db2.gz UEDABFAPYJOJRH-NVXWUHKLSA-N 1 1 340.423 2.510 20 10 EFCDMO Oc1cc(O)c(C[N@@H+]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]32)cc1O ZINC001233487192 1312940148 /nfs/dbraw/zinc/94/01/48/1312940148.db2.gz UEDABFAPYJOJRH-NVXWUHKLSA-N 1 1 340.423 2.510 20 10 EFCDMO Oc1cc(O)c(C[N@H+]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]32)cc1O ZINC001233487192 1312940149 /nfs/dbraw/zinc/94/01/49/1312940149.db2.gz UEDABFAPYJOJRH-NVXWUHKLSA-N 1 1 340.423 2.510 20 10 EFCDMO C[N@@H+](CCCCNC(=O)OC(C)(C)C)Cc1cc(O)c(O)cc1O ZINC001233486661 1312940253 /nfs/dbraw/zinc/94/02/53/1312940253.db2.gz WYBUWXIQQCVFBM-UHFFFAOYSA-N 1 1 340.420 2.540 20 10 EFCDMO C[C@@]1(c2ccc(F)cc2)C[N@H+](Cc2cc(O)c(O)cc2O)CCO1 ZINC001233486478 1312940324 /nfs/dbraw/zinc/94/03/24/1312940324.db2.gz OBBZJKLFNLATLX-SFHVURJKSA-N 1 1 333.359 2.690 20 10 EFCDMO C[C@@]1(c2ccc(F)cc2)C[N@@H+](Cc2cc(O)c(O)cc2O)CCO1 ZINC001233486478 1312940326 /nfs/dbraw/zinc/94/03/26/1312940326.db2.gz OBBZJKLFNLATLX-SFHVURJKSA-N 1 1 333.359 2.690 20 10 EFCDMO COC[C@H](C)[N@@H+](Cc1cccc(OC)c1)Cc1cc(O)c(O)cc1O ZINC001233486404 1312940452 /nfs/dbraw/zinc/94/04/52/1312940452.db2.gz LXKAXHZIIWDMHX-ZDUSSCGKSA-N 1 1 347.411 2.849 20 10 EFCDMO CC(C)(C)OC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1cc(O)c(O)cc1O ZINC001233485630 1312940524 /nfs/dbraw/zinc/94/05/24/1312940524.db2.gz DSBUTXYLFOUMKY-BNLOLNQZSA-N 1 1 349.427 2.746 20 10 EFCDMO CC(C)(C)OC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1cc(O)c(O)cc1O ZINC001233485630 1312940529 /nfs/dbraw/zinc/94/05/29/1312940529.db2.gz DSBUTXYLFOUMKY-BNLOLNQZSA-N 1 1 349.427 2.746 20 10 EFCDMO Oc1cc(O)c(C[N@H+]2C[C@@H]3C[C@H](C2)c2cc4nccnc4cc23)cc1O ZINC001233486184 1312940668 /nfs/dbraw/zinc/94/06/68/1312940668.db2.gz BTKRZEIARNDULB-TXEJJXNPSA-N 1 1 349.390 2.833 20 10 EFCDMO Cc1cccc(O[C@H]2CCC[N@@H+](Cc3cc(O)c(O)cc3O)C2)n1 ZINC001233487623 1312941408 /nfs/dbraw/zinc/94/14/08/1312941408.db2.gz LQZNVOLLFNMATK-AWEZNQCLSA-N 1 1 330.384 2.550 20 10 EFCDMO Cc1cccc(O[C@@H]2CCC[N@@H+](Cc3cc(O)c(O)cc3O)C2)n1 ZINC001233487624 1312941771 /nfs/dbraw/zinc/94/17/71/1312941771.db2.gz LQZNVOLLFNMATK-CQSZACIVSA-N 1 1 330.384 2.550 20 10 EFCDMO Oc1ccccc1C[N@H+]1CCCn2cnc(COCC3CC3)c2C1 ZINC001203552951 1312955236 /nfs/dbraw/zinc/95/52/36/1312955236.db2.gz WSZIRKUESCOBPL-UHFFFAOYSA-N 1 1 327.428 2.921 20 10 EFCDMO Oc1ccccc1C[N@H+]1CC[C@H]2[C@@H](CCN2Cc2nccs2)C1 ZINC001203552242 1312954208 /nfs/dbraw/zinc/95/42/08/1312954208.db2.gz GADMBYIATGWHEB-HOCLYGCPSA-N 1 1 329.469 2.945 20 10 EFCDMO O=C1[C@@H]2C[N@@H+](Cc3ccccc3O)C[C@H]2CN1Cc1cccc(F)c1 ZINC001203551817 1312954285 /nfs/dbraw/zinc/95/42/85/1312954285.db2.gz PBPWWKJDVRYMIS-FUHWJXTLSA-N 1 1 340.398 2.622 20 10 EFCDMO Oc1ccccc1C[N@H+]1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@H]21 ZINC001203552595 1312954298 /nfs/dbraw/zinc/95/42/98/1312954298.db2.gz OOUWLCOPJGGPTI-SZVBFZGTSA-N 1 1 340.423 2.846 20 10 EFCDMO CC[C@@H]1[N@@H+](Cc2ccccc2O)CCC[C@]12CCC(=O)N2CCOC ZINC001203551915 1312954560 /nfs/dbraw/zinc/95/45/60/1312954560.db2.gz SKMUIPLSAQPNAP-ICSRJNTNSA-N 1 1 346.471 2.774 20 10 EFCDMO Oc1ccccc1C[N@H+]1CCc2ncnc(-c3cccnc3)c2CC1 ZINC001203552484 1312954597 /nfs/dbraw/zinc/95/45/97/1312954597.db2.gz MQQPHNRGZNCXBA-UHFFFAOYSA-N 1 1 332.407 2.845 20 10 EFCDMO Oc1ccccc1C[N@H+]1CCO[C@H]2[C@H](OCc3cccnc3)CC[C@@H]21 ZINC001203552330 1312954652 /nfs/dbraw/zinc/95/46/52/1312954652.db2.gz JZYCVGFWMGUBRV-DFQSSKMNSA-N 1 1 340.423 2.736 20 10 EFCDMO CO[C@H](C[NH+]1CCN(Cc2ccccc2O)CC1)c1ccccc1 ZINC001203558641 1312956053 /nfs/dbraw/zinc/95/60/53/1312956053.db2.gz RSOJHLZTBZQXCJ-HXUWFJFHSA-N 1 1 326.440 2.898 20 10 EFCDMO CCOC[C@@H]1C[N@@H+](Cc2cccc(OC)c2O)Cc2c1cnn2CC ZINC001203591558 1312965133 /nfs/dbraw/zinc/96/51/33/1312965133.db2.gz IXSBUVRIRQEHGW-HNNXBMFYSA-N 1 1 345.443 2.753 20 10 EFCDMO COc1cccc(C[N@H+]2CC[C@]3(C[C@@H](OCC4CC4)CO3)C2)c1O ZINC001203593367 1312965185 /nfs/dbraw/zinc/96/51/85/1312965185.db2.gz LSGNGDVQSSMQBR-APWZRJJASA-N 1 1 333.428 2.561 20 10 EFCDMO COc1cccc(C[N@H+]2CC[C@H]3O[C@@H](COCC4CC4)CC[C@H]32)c1O ZINC001203591548 1312965240 /nfs/dbraw/zinc/96/52/40/1312965240.db2.gz IOBGFCDDHUXRMU-KZNAEPCWSA-N 1 1 347.455 2.949 20 10 EFCDMO COc1cccc(C[N@H+]2C[C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H]3C2)c1O ZINC001203589980 1312965508 /nfs/dbraw/zinc/96/55/08/1312965508.db2.gz PNVUYPCEYCOPFL-DZGCQCFKSA-N 1 1 348.443 2.842 20 10 EFCDMO COc1cccc(C[NH+]2CCN(C(=O)c3cccc(C)c3)CC2)c1O ZINC001203595747 1312966255 /nfs/dbraw/zinc/96/62/55/1312966255.db2.gz JAHDNYWKMTWUGE-UHFFFAOYSA-N 1 1 340.423 2.667 20 10 EFCDMO COc1cccc(C[NH+]2CCN(Cc3c(F)cccc3F)CC2)c1O ZINC001203599850 1312967447 /nfs/dbraw/zinc/96/74/47/1312967447.db2.gz LAPYPSPLDTXMLO-UHFFFAOYSA-N 1 1 348.393 2.997 20 10 EFCDMO COc1cccc(C[N@H+]2CCC[C@H](Oc3nccnc3C)C2)c1O ZINC001203601884 1312968308 /nfs/dbraw/zinc/96/83/08/1312968308.db2.gz PNEVTMRBOYJLHW-HNNXBMFYSA-N 1 1 329.400 2.543 20 10 EFCDMO CCOc1cccc(C[N@H+]2CCc3ncnc(CC)c3CC2)c1O ZINC001203608397 1312970131 /nfs/dbraw/zinc/97/01/31/1312970131.db2.gz OCLXCUVHRCVQQO-UHFFFAOYSA-N 1 1 327.428 2.744 20 10 EFCDMO CCOC[C@@H]1C[N@@H+](Cc2cccc(OCC)c2O)Cc2cnn(C)c21 ZINC001203608696 1312970428 /nfs/dbraw/zinc/97/04/28/1312970428.db2.gz ZQVHKCXCJFLLME-INIZCTEOSA-N 1 1 345.443 2.660 20 10 EFCDMO CCOc1cccc(C[N@H+]2CC[C@]3(C[C@H](OCC4CC4)CO3)C2)c1O ZINC001203609977 1312970477 /nfs/dbraw/zinc/97/04/77/1312970477.db2.gz QFYWMPMXVJCCAA-PXNSSMCTSA-N 1 1 347.455 2.951 20 10 EFCDMO CCOc1cccc(C[N@H+]2CCCN(c3cccnc3)CC2)c1O ZINC001203614988 1312971435 /nfs/dbraw/zinc/97/14/35/1312971435.db2.gz JQYLWMPLMHLKFQ-UHFFFAOYSA-N 1 1 327.428 2.898 20 10 EFCDMO CCOc1cccc(C[N@H+]2CC[C@H](Oc3cccc(OC)n3)C2)c1O ZINC001203617198 1312972289 /nfs/dbraw/zinc/97/22/89/1312972289.db2.gz LPMDAWFFQRFGNX-HNNXBMFYSA-N 1 1 344.411 2.848 20 10 EFCDMO CCOc1cccc(C[N@H+]2CC[C@H](Oc3ccc(OC)cn3)C2)c1O ZINC001203617392 1312972608 /nfs/dbraw/zinc/97/26/08/1312972608.db2.gz PPMJYQJVTYHRMA-INIZCTEOSA-N 1 1 344.411 2.848 20 10 EFCDMO COc1ccc(C[N@H+]2C[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]32)c(O)c1 ZINC001203621879 1312973373 /nfs/dbraw/zinc/97/33/73/1312973373.db2.gz JGLLKJZTFMYQCB-HOCLYGCPSA-N 1 1 348.443 2.842 20 10 EFCDMO COc1ccc(C[N@H+]2C[C@@H](NC(=O)OC(C)(C)C)C3(CC3)C2)c(O)c1 ZINC001203620801 1312973592 /nfs/dbraw/zinc/97/35/92/1312973592.db2.gz ITAYJJFMWGYEFG-MRXNPFEDSA-N 1 1 348.443 2.890 20 10 EFCDMO CC[C@@H]1[N@@H+](Cc2ccc(OC)cc2O)CCC[C@]12CCC(=O)N2C ZINC001203622928 1312973956 /nfs/dbraw/zinc/97/39/56/1312973956.db2.gz FUFMVJUZABNDQG-HKUYNNGSSA-N 1 1 332.444 2.766 20 10 EFCDMO COc1ccc(C[N@H+]2CCC[C@]3(CCN(CC4CC4)C3=O)C2)c(O)c1 ZINC001203623430 1312974076 /nfs/dbraw/zinc/97/40/76/1312974076.db2.gz QJZKZZIJNWLANA-FQEVSTJZSA-N 1 1 344.455 2.625 20 10 EFCDMO COc1ccc(C[N@@H+]2CCO[C@H](COc3ccccc3)C2)c(O)c1 ZINC001203629365 1312975489 /nfs/dbraw/zinc/97/54/89/1312975489.db2.gz YDMLVHKHCPJBIB-SFHVURJKSA-N 1 1 329.396 2.681 20 10 EFCDMO COc1ccc(C[N@H+]2CCO[C@H](COc3ccccc3)C2)c(O)c1 ZINC001203629365 1312975494 /nfs/dbraw/zinc/97/54/94/1312975494.db2.gz YDMLVHKHCPJBIB-SFHVURJKSA-N 1 1 329.396 2.681 20 10 EFCDMO COc1ccc(C[N@H+]2CC[C@@]3(C2)c2ccccc2N(C)C3=O)c(O)c1 ZINC001203628645 1312975520 /nfs/dbraw/zinc/97/55/20/1312975520.db2.gz DKIAVGVOIKJZSI-HXUWFJFHSA-N 1 1 338.407 2.521 20 10 EFCDMO COc1ccc(C[NH+]2CCN(c3ncccc3Cl)CC2)c(O)c1 ZINC001203628748 1312975543 /nfs/dbraw/zinc/97/55/43/1312975543.db2.gz HCDIEKUBOKROHW-UHFFFAOYSA-N 1 1 333.819 2.771 20 10 EFCDMO COc1ccc(C[N@H+]2CCC[C@H](Oc3nccc(C)n3)C2)c(O)c1 ZINC001203635324 1312977635 /nfs/dbraw/zinc/97/76/35/1312977635.db2.gz PRGJBWZGDPDDDP-INIZCTEOSA-N 1 1 329.400 2.543 20 10 EFCDMO COc1ccc(C[N@H+]2CCC[C@H](Oc3ncc(C)cn3)C2)c(O)c1 ZINC001203635442 1312977685 /nfs/dbraw/zinc/97/76/85/1312977685.db2.gz VCHPUJIIFUHNAA-INIZCTEOSA-N 1 1 329.400 2.543 20 10 EFCDMO OC[C@@H]1C[N@@H+](Cc2cccc(OC(F)(F)F)c2O)CCC1(F)F ZINC001233727643 1312978468 /nfs/dbraw/zinc/97/84/68/1312978468.db2.gz NUFQYZFKFDUVSG-JTQLQIEISA-N 1 1 341.276 2.740 20 10 EFCDMO COC(=O)[C@H]1C[C@H](C)C[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC001203645401 1312979500 /nfs/dbraw/zinc/97/95/00/1312979500.db2.gz GUBAAXGKAPUVIZ-JQWIXIFHSA-N 1 1 342.233 2.786 20 10 EFCDMO O=c1ccc2c([nH]1)CC[N@H+](Cc1cc(Br)ccc1O)CC2 ZINC001203645856 1312979762 /nfs/dbraw/zinc/97/97/62/1312979762.db2.gz UPSLWRLXTNTTPK-UHFFFAOYSA-N 1 1 349.228 2.856 20 10 EFCDMO C[N@@H+](Cc1cc(Br)ccc1O)[C@@H]1CCC2(C1)OCCO2 ZINC001203650270 1312980342 /nfs/dbraw/zinc/98/03/42/1312980342.db2.gz PEJDIGXHEMEUET-CYBMUJFWSA-N 1 1 342.233 2.882 20 10 EFCDMO C[N@@H+](Cc1cc(Br)ccc1O)[C@H]1CCC2(C1)OCCO2 ZINC001203650276 1312980685 /nfs/dbraw/zinc/98/06/85/1312980685.db2.gz PEJDIGXHEMEUET-ZDUSSCGKSA-N 1 1 342.233 2.882 20 10 EFCDMO Cc1[nH+]cc2n1CCN(Cc1cccc(OC(F)(F)F)c1O)C2 ZINC001233737171 1312981803 /nfs/dbraw/zinc/98/18/03/1312981803.db2.gz YRBCEQZXKKSDCN-UHFFFAOYSA-N 1 1 327.306 2.812 20 10 EFCDMO C[N@H+]1CC[C@@H]2C[NH+](Cc3cccc(OC(F)(F)F)c3O)C[C@@H]2C1 ZINC001233736738 1312982104 /nfs/dbraw/zinc/98/21/04/1312982104.db2.gz QHYDXPNKNVZBLS-YPMHNXCESA-N 1 1 330.350 2.674 20 10 EFCDMO O=C1[C@H]2C[N@@H+](Cc3cc(Cl)ccc3O)C[C@H]2CN1c1cccnc1 ZINC001203657531 1312982488 /nfs/dbraw/zinc/98/24/88/1312982488.db2.gz LYSROUULIARRNI-BBRMVZONSA-N 1 1 343.814 2.535 20 10 EFCDMO CCOC[C@@H]1C[N@H+](Cc2cc(Cl)ccc2O)Cc2cn(C)nc21 ZINC001203655919 1312982583 /nfs/dbraw/zinc/98/25/83/1312982583.db2.gz FGBLOQUWHLHJKE-AWEZNQCLSA-N 1 1 335.835 2.915 20 10 EFCDMO CCOC[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2O)Cc2cn(C)nc21 ZINC001203655919 1312982586 /nfs/dbraw/zinc/98/25/86/1312982586.db2.gz FGBLOQUWHLHJKE-AWEZNQCLSA-N 1 1 335.835 2.915 20 10 EFCDMO CN(C)C(=O)[C@@H]1CCC[N@@H+](Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001233754826 1312984291 /nfs/dbraw/zinc/98/42/91/1312984291.db2.gz LZMNIFOVBDYOGJ-GFCCVEGCSA-N 1 1 346.349 2.591 20 10 EFCDMO Oc1c(CN2CC[N@H+]3CCCC[C@@H]3C2)cccc1OC(F)(F)F ZINC001233754306 1312984802 /nfs/dbraw/zinc/98/48/02/1312984802.db2.gz CXXSEXCBDPRWAP-CYBMUJFWSA-N 1 1 330.350 2.961 20 10 EFCDMO Oc1c(C[N@@H+]2CCN3CCCC[C@@H]3C2)cccc1OC(F)(F)F ZINC001233754306 1312984806 /nfs/dbraw/zinc/98/48/06/1312984806.db2.gz CXXSEXCBDPRWAP-CYBMUJFWSA-N 1 1 330.350 2.961 20 10 EFCDMO Oc1c(C[N@H+]2CCN3CCCC[C@@H]3C2)cccc1OC(F)(F)F ZINC001233754306 1312984809 /nfs/dbraw/zinc/98/48/09/1312984809.db2.gz CXXSEXCBDPRWAP-CYBMUJFWSA-N 1 1 330.350 2.961 20 10 EFCDMO CCOC[C@@H]1C[N@@H+](Cc2cc(OC)ccc2O)Cc2c1cnn2CC ZINC001203671329 1312986172 /nfs/dbraw/zinc/98/61/72/1312986172.db2.gz NSWSXJQYMRQEDQ-HNNXBMFYSA-N 1 1 345.443 2.753 20 10 EFCDMO CCOC[C@H]1C[N@@H+](Cc2cc(OC)ccc2O)Cc2cn(CC)nc21 ZINC001203673283 1312986555 /nfs/dbraw/zinc/98/65/55/1312986555.db2.gz UDTQPTYUZGOHOS-MRXNPFEDSA-N 1 1 345.443 2.753 20 10 EFCDMO Oc1c(C[N@@H+]2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)cccc1OC(F)(F)F ZINC001233768536 1312987550 /nfs/dbraw/zinc/98/75/50/1312987550.db2.gz TWFWJIBNXOBJEP-FNFFVJSTSA-N 1 1 329.318 2.900 20 10 EFCDMO COc1ccc(O)c(C[NH+]2CCN(C(=O)Nc3ccccc3)CC2)c1 ZINC001203678912 1312988202 /nfs/dbraw/zinc/98/82/02/1312988202.db2.gz VHKXTTDCRBSSDI-UHFFFAOYSA-N 1 1 341.411 2.751 20 10 EFCDMO COc1ccc(O)c(C[N@H+]2CCC[C@H](Oc3cc(C)ncn3)C2)c1 ZINC001203680606 1312988804 /nfs/dbraw/zinc/98/88/04/1312988804.db2.gz ABSUJRQBMIRMMI-INIZCTEOSA-N 1 1 329.400 2.543 20 10 EFCDMO COc1ccc(O)c(C[N@H+]2CCC[C@@H](Oc3nccnc3C)C2)c1 ZINC001203681372 1312989226 /nfs/dbraw/zinc/98/92/26/1312989226.db2.gz VIBCOIYITSXBGZ-MRXNPFEDSA-N 1 1 329.400 2.543 20 10 EFCDMO COc1ccc(O[C@@H]2CCC[N@@H+](Cc3cc(OC)ccc3O)C2)nc1 ZINC001203683853 1312989501 /nfs/dbraw/zinc/98/95/01/1312989501.db2.gz GBLZBOBGSMXVMM-QGZVFWFLSA-N 1 1 344.411 2.848 20 10 EFCDMO COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[N@@H+]1Cc1cccc(OC(F)(F)F)c1O ZINC001233776176 1312990032 /nfs/dbraw/zinc/99/00/32/1312990032.db2.gz MGUKJPAELLGQFA-SUZMYJTESA-N 1 1 345.317 2.817 20 10 EFCDMO COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[N@H+]1Cc1cccc(OC(F)(F)F)c1O ZINC001233776176 1312990035 /nfs/dbraw/zinc/99/00/35/1312990035.db2.gz MGUKJPAELLGQFA-SUZMYJTESA-N 1 1 345.317 2.817 20 10 EFCDMO Oc1c(C[N@H+]2CCC[C@H](n3ccnn3)C2)cccc1OC(F)(F)F ZINC001233776633 1312990469 /nfs/dbraw/zinc/99/04/69/1312990469.db2.gz WHXUVKCYJYBMHN-LBPRGKRZSA-N 1 1 342.321 2.719 20 10 EFCDMO Oc1c(F)cc(F)cc1C[NH2+][C@@H](CN1CCOCC1)c1ccccc1 ZINC000882880909 1293366219 /nfs/dbraw/zinc/36/62/19/1293366219.db2.gz OEYPXJLUMUTOEC-SFHVURJKSA-N 1 1 348.393 2.834 20 10 EFCDMO Oc1c(F)cc(F)cc1C[NH2+]Cc1ccccc1CN1CCOCC1 ZINC000882880132 1293366310 /nfs/dbraw/zinc/36/63/10/1293366310.db2.gz CVFRPYNOAIGITM-UHFFFAOYSA-N 1 1 348.393 2.792 20 10 EFCDMO COc1ccc(OC)c([C@@H](O)C[NH2+]Cc2cc(F)cc(F)c2O)c1 ZINC000882884541 1293370291 /nfs/dbraw/zinc/37/02/91/1293370291.db2.gz NPSNZGDSFVTMNY-HNNXBMFYSA-N 1 1 339.338 2.511 20 10 EFCDMO O=C(c1ccoc1)N1CCC([NH2+]Cc2cc(F)cc(F)c2O)CC1 ZINC000882886609 1293371046 /nfs/dbraw/zinc/37/10/46/1293371046.db2.gz CRNIYGAKNCWMHS-UHFFFAOYSA-N 1 1 336.338 2.658 20 10 EFCDMO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cc(O)c(O)c(Cl)c1 ZINC001193626545 1293374484 /nfs/dbraw/zinc/37/44/84/1293374484.db2.gz WFRQGLVLXHZKTF-NSHDSACASA-N 1 1 326.824 2.746 20 10 EFCDMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1cc(O)c(O)c(Cl)c1 ZINC001193626545 1293374494 /nfs/dbraw/zinc/37/44/94/1293374494.db2.gz WFRQGLVLXHZKTF-NSHDSACASA-N 1 1 326.824 2.746 20 10 EFCDMO O=C(NC1CCN(c2cc[nH+]cc2)CC1)c1cc(O)c(O)c(Cl)c1 ZINC001193633815 1293378949 /nfs/dbraw/zinc/37/89/49/1293378949.db2.gz HRJOFGKNWCIVIM-UHFFFAOYSA-N 1 1 347.802 2.545 20 10 EFCDMO O=C(NC1CC1)c1cccc(C[NH2+]Cc2cc(F)cc(F)c2O)c1 ZINC000882934839 1293390317 /nfs/dbraw/zinc/39/03/17/1293390317.db2.gz VHTIPFZNXTVZTG-UHFFFAOYSA-N 1 1 332.350 2.852 20 10 EFCDMO O=C1[C@H]([NH2+]Cc2cc(F)cc(F)c2O)CCN1Cc1ccccc1 ZINC000882940916 1293394181 /nfs/dbraw/zinc/39/41/81/1293394181.db2.gz CVBYVKKEPSOIFB-MRXNPFEDSA-N 1 1 332.350 2.561 20 10 EFCDMO O=C(NCCC[NH2+]Cc1cc(F)cc(F)c1O)c1cccs1 ZINC000882996944 1293420685 /nfs/dbraw/zinc/42/06/85/1293420685.db2.gz PEOZOVLMKDWYIA-UHFFFAOYSA-N 1 1 326.368 2.642 20 10 EFCDMO C[C@@](O)(C[NH2+]Cc1cc(Br)cc(F)c1O)c1ccco1 ZINC000883019038 1293431871 /nfs/dbraw/zinc/43/18/71/1293431871.db2.gz XTGRZOZDXMYEAV-CQSZACIVSA-N 1 1 344.180 2.884 20 10 EFCDMO COC[C@]1(C[NH2+]Cc2cc(F)cc(F)c2O)OCCc2ccccc21 ZINC000883121757 1293470605 /nfs/dbraw/zinc/47/06/05/1293470605.db2.gz RDIKJPVIYYQQRL-IBGZPJMESA-N 1 1 349.377 2.875 20 10 EFCDMO C[N@H+]1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)CC1(C)C ZINC000883140343 1293477926 /nfs/dbraw/zinc/47/79/26/1293477926.db2.gz QQMYEEATWPVPRN-UHFFFAOYSA-N 1 1 330.476 2.522 20 10 EFCDMO C[C@@H]([NH2+]Cc1cc(Br)cc(F)c1O)[C@H](O)C(F)(F)F ZINC000883194801 1293501606 /nfs/dbraw/zinc/50/16/06/1293501606.db2.gz DAPXXWMKHWGMBJ-FWOIEVBISA-N 1 1 346.118 2.695 20 10 EFCDMO COC[C@@H]([NH2+]Cc1ccc(N2CCN(C)CC2)cc1)C1CCCC1 ZINC000883290426 1293533628 /nfs/dbraw/zinc/53/36/28/1293533628.db2.gz UTBPBCCDTNYOKH-HXUWFJFHSA-N 1 1 331.504 2.733 20 10 EFCDMO COc1cc[nH+]c(N2CCN(Cc3ccc(N(C)C)c(F)c3)CC2)c1 ZINC000131645882 1293569726 /nfs/dbraw/zinc/56/97/26/1293569726.db2.gz ZPNLMAJHKYYCJG-UHFFFAOYSA-N 1 1 344.434 2.618 20 10 EFCDMO CC[C@H](F)C[N@@H+](C)[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001194367931 1293598427 /nfs/dbraw/zinc/59/84/27/1293598427.db2.gz NCPZLAWATZVSQI-ZFWWWQNUSA-N 1 1 349.410 2.743 20 10 EFCDMO C[C@H](F)CC[N@@H+](C)[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001194367617 1293599260 /nfs/dbraw/zinc/59/92/60/1293599260.db2.gz JCEQHJJWUXBTNF-WFASDCNBSA-N 1 1 349.410 2.743 20 10 EFCDMO Cc1noc(C)c1[C@@H](C)[NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000775618246 1293734919 /nfs/dbraw/zinc/73/49/19/1293734919.db2.gz WUKACQCTXRXZHQ-CYBMUJFWSA-N 1 1 344.459 2.667 20 10 EFCDMO O=c1cc2[nH]cnc(O[C@@H]3CC[N@@H+](Cc4ccccc4)C3)c-2cc1O ZINC001233949246 1313024401 /nfs/dbraw/zinc/02/44/01/1313024401.db2.gz AUZVYCIEAVZANV-CQSZACIVSA-N 1 1 337.379 2.694 20 10 EFCDMO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203880037 1313040077 /nfs/dbraw/zinc/04/00/77/1313040077.db2.gz MKEUDYZVYGHQAP-GXTWGEPZSA-N 1 1 336.432 2.833 20 10 EFCDMO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203880037 1313040081 /nfs/dbraw/zinc/04/00/81/1313040081.db2.gz MKEUDYZVYGHQAP-GXTWGEPZSA-N 1 1 336.432 2.833 20 10 EFCDMO COc1cc(O)c(C[N@H+]2CCC[C@@H](OCC(F)(F)F)C2)cc1OC ZINC000775654978 1293913788 /nfs/dbraw/zinc/91/37/88/1293913788.db2.gz SGVHQZUBGBKBGL-GFCCVEGCSA-N 1 1 349.349 2.953 20 10 EFCDMO CC(C)(C)OC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccc(O)c(O)c1 ZINC001203875905 1313038359 /nfs/dbraw/zinc/03/83/59/1313038359.db2.gz YKCGALJUICKILD-AWEZNQCLSA-N 1 1 336.432 2.977 20 10 EFCDMO CC(C)(C)OC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccc(O)c(O)c1 ZINC001203875905 1313038362 /nfs/dbraw/zinc/03/83/62/1313038362.db2.gz YKCGALJUICKILD-AWEZNQCLSA-N 1 1 336.432 2.977 20 10 EFCDMO CC(C)(C)OC(=O)N1CC[C@]2(CC[N@@H+](Cc3ccc(O)c(O)c3)C2)C1 ZINC001203875895 1313038374 /nfs/dbraw/zinc/03/83/74/1313038374.db2.gz YDTQZDIVVMOXKU-IBGZPJMESA-N 1 1 348.443 2.931 20 10 EFCDMO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203875383 1313038690 /nfs/dbraw/zinc/03/86/90/1313038690.db2.gz NBEYQNFIAUWZPS-ZDUSSCGKSA-N 1 1 336.432 2.787 20 10 EFCDMO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203875383 1313038693 /nfs/dbraw/zinc/03/86/93/1313038693.db2.gz NBEYQNFIAUWZPS-ZDUSSCGKSA-N 1 1 336.432 2.787 20 10 EFCDMO CC[N@H+](CCc1ccccn1)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775660100 1293942860 /nfs/dbraw/zinc/94/28/60/1293942860.db2.gz ARMXKNOAWGXRAX-UHFFFAOYSA-N 1 1 338.499 2.898 20 10 EFCDMO CC[N@@H+](CCc1ccccn1)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775660100 1293942868 /nfs/dbraw/zinc/94/28/68/1293942868.db2.gz ARMXKNOAWGXRAX-UHFFFAOYSA-N 1 1 338.499 2.898 20 10 EFCDMO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](Cc3ccc(O)c(O)c3)CC[C@H]21 ZINC001203877740 1313039435 /nfs/dbraw/zinc/03/94/35/1313039435.db2.gz IIKKXTULHHVUHA-HUUCEWRRSA-N 1 1 348.443 2.929 20 10 EFCDMO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](Cc3ccc(O)c(O)c3)CC[C@@H]21 ZINC001203877738 1313039484 /nfs/dbraw/zinc/03/94/84/1313039484.db2.gz IIKKXTULHHVUHA-CABCVRRESA-N 1 1 348.443 2.929 20 10 EFCDMO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCC[N@@H+]1Cc1ccc(O)c(O)c1 ZINC001203880829 1313039577 /nfs/dbraw/zinc/03/95/77/1313039577.db2.gz IWHBJHYGOKNNEL-JSGCOSHPSA-N 1 1 336.432 2.975 20 10 EFCDMO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCC[N@H+]1Cc1ccc(O)c(O)c1 ZINC001203880829 1313039581 /nfs/dbraw/zinc/03/95/81/1313039581.db2.gz IWHBJHYGOKNNEL-JSGCOSHPSA-N 1 1 336.432 2.975 20 10 EFCDMO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203880041 1313039590 /nfs/dbraw/zinc/03/95/90/1313039590.db2.gz 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EFCDMO Oc1c(F)cc(Br)cc1CN1CC[NH+](C2CCC2)CC1 ZINC001235056779 1313232435 /nfs/dbraw/zinc/23/24/35/1313232435.db2.gz FJGZCMNXZYACDO-UHFFFAOYSA-N 1 1 343.240 2.964 20 10 EFCDMO Oc1c(F)cc(Br)cc1CN1CC([NH+]2CCCCC2)C1 ZINC001235068874 1313235247 /nfs/dbraw/zinc/23/52/47/1313235247.db2.gz MSFUSYTUQLKSIY-UHFFFAOYSA-N 1 1 343.240 2.964 20 10 EFCDMO CC[NH+]1C[C@@H]2CN(Cc3cc(Br)cc(F)c3O)C[C@H]2C1 ZINC001235074474 1313237300 /nfs/dbraw/zinc/23/73/00/1313237300.db2.gz HZVHDGZELNRIEQ-VXGBXAGGSA-N 1 1 343.240 2.677 20 10 EFCDMO Oc1c(Br)cc(Cl)cc1CN1CC[C@H]2[NH2+]CC[C@H]21 ZINC001235075286 1313237896 /nfs/dbraw/zinc/23/78/96/1313237896.db2.gz LCLKTPFNRVGKEY-VXGBXAGGSA-N 1 1 331.641 2.744 20 10 EFCDMO Oc1cc(F)c(Br)cc1CN1CCCCC12C[NH2+]C2 ZINC001235101137 1313241886 /nfs/dbraw/zinc/24/18/86/1313241886.db2.gz BVMFITUXLZMMEV-UHFFFAOYSA-N 1 1 329.213 2.622 20 10 EFCDMO Oc1ccc(F)cc1C[N@@H+]1C[C@@H]2CC[NH+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001275908663 1296445863 /nfs/dbraw/zinc/44/58/63/1296445863.db2.gz GLRXZAKXLQWAKM-IYBDPMFKSA-N 1 1 344.434 2.598 20 10 EFCDMO [NH3+]C[C@]1(O)CCC[N@@H+](Cc2cc(-c3ccc(F)cc3)ccc2O)CC1 ZINC001205249301 1313259107 /nfs/dbraw/zinc/25/91/07/1313259107.db2.gz VLGOGUBIFWIPNP-FQEVSTJZSA-N 1 1 344.430 2.874 20 10 EFCDMO [NH3+]C[C@]1(O)CCC[N@H+](Cc2cc(-c3ccc(F)cc3)ccc2[O-])CC1 ZINC001205249301 1313259108 /nfs/dbraw/zinc/25/91/08/1313259108.db2.gz VLGOGUBIFWIPNP-FQEVSTJZSA-N 1 1 344.430 2.874 20 10 EFCDMO [NH3+]C[C@]1(O)CCC[N@@H+](Cc2cc(-c3ccc(F)cc3)ccc2[O-])CC1 ZINC001205249301 1313259111 /nfs/dbraw/zinc/25/91/11/1313259111.db2.gz VLGOGUBIFWIPNP-FQEVSTJZSA-N 1 1 344.430 2.874 20 10 EFCDMO Cc1ccc(C)c(C[N@@H+]2CC[C@H]3CN(C(=O)NC(C)C)C[C@H]32)c1O ZINC001275969079 1296464376 /nfs/dbraw/zinc/46/43/76/1296464376.db2.gz ZCNLTOVBITVDCT-DOTOQJQBSA-N 1 1 331.460 2.633 20 10 EFCDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1cc(C(=O)OC)ccn1 ZINC001235209125 1313264079 /nfs/dbraw/zinc/26/40/79/1313264079.db2.gz BDMHPVSXAZYGTO-UHFFFAOYSA-N 1 1 327.428 2.956 20 10 EFCDMO [NH3+][C@@]12CCC[C@@H]1CN(Cc1c(O)cc(Br)cc1F)C2 ZINC001235244769 1313273006 /nfs/dbraw/zinc/27/30/06/1313273006.db2.gz JNKVGRZAEQOZGR-YMTOWFKASA-N 1 1 329.213 2.607 20 10 EFCDMO COCCOCN1CC[C@@]2(C1)CCC[N@@H+](Cc1cccc(C)c1O)C2 ZINC001276080241 1296594465 /nfs/dbraw/zinc/59/44/65/1296594465.db2.gz LNUDWXNWOULYMU-FQEVSTJZSA-N 1 1 348.487 2.609 20 10 EFCDMO Oc1c(Br)cc(F)cc1CN1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001235302037 1313285552 /nfs/dbraw/zinc/28/55/52/1313285552.db2.gz LFTYNIVDWLFKSR-CYBMUJFWSA-N 1 1 343.240 2.964 20 10 EFCDMO Oc1c(Br)cc(F)cc1CN1CCC[N@H+]2CCC[C@@H]2C1 ZINC001235302037 1313285554 /nfs/dbraw/zinc/28/55/54/1313285554.db2.gz LFTYNIVDWLFKSR-CYBMUJFWSA-N 1 1 343.240 2.964 20 10 EFCDMO C[N@H+](C1CC1)[C@@H]1CCN(Cc2cc(F)cc(Br)c2O)C1 ZINC001235306736 1313286971 /nfs/dbraw/zinc/28/69/71/1313286971.db2.gz XJRXQRUVWIZOIS-CYBMUJFWSA-N 1 1 343.240 2.962 20 10 EFCDMO C[N@@H+](C1CC1)[C@@H]1CCN(Cc2cc(F)cc(Br)c2O)C1 ZINC001235306736 1313286974 /nfs/dbraw/zinc/28/69/74/1313286974.db2.gz XJRXQRUVWIZOIS-CYBMUJFWSA-N 1 1 343.240 2.962 20 10 EFCDMO C[N@H+](Cc1cc(-c2ccc(F)cc2)ccc1O)C[C@@H]1CNCCO1 ZINC001205537168 1313308025 /nfs/dbraw/zinc/30/80/25/1313308025.db2.gz DQNWFNCKLMDWGB-SFHVURJKSA-N 1 1 330.403 2.619 20 10 EFCDMO CN(Cc1cc(-c2ccc(F)cc2)ccc1O)C[C@@H]1C[NH2+]CCO1 ZINC001205537168 1313308030 /nfs/dbraw/zinc/30/80/30/1313308030.db2.gz DQNWFNCKLMDWGB-SFHVURJKSA-N 1 1 330.403 2.619 20 10 EFCDMO C[N@H+]1CC[C@H]1CNC(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000925411939 1296834466 /nfs/dbraw/zinc/83/44/66/1296834466.db2.gz RSXVEQVBEBCUIE-KRWDZBQOSA-N 1 1 331.460 2.941 20 10 EFCDMO Oc1cc(C(F)(F)F)ccc1CN1CC[C@@]2(C1)C[NH2+]CC[C@H]2F ZINC001235408517 1313314561 /nfs/dbraw/zinc/31/45/61/1313314561.db2.gz UJVVMIJHNYBBCW-CABCVRRESA-N 1 1 332.341 2.935 20 10 EFCDMO [NH3+]C[C@]1(F)CCC[N@@H+](Cc2cc(Br)cc(F)c2[O-])CC1 ZINC001205580257 1313316899 /nfs/dbraw/zinc/31/68/99/1313316899.db2.gz RUJKPQYHSLHKDL-AWEZNQCLSA-N 1 1 349.219 2.947 20 10 EFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCNc2ccc(C)cn2)c1 ZINC000927073098 1296984795 /nfs/dbraw/zinc/98/47/95/1296984795.db2.gz INVUUXKKSHBPDJ-ZDUSSCGKSA-N 1 1 329.400 2.645 20 10 EFCDMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000776238382 1297226438 /nfs/dbraw/zinc/22/64/38/1297226438.db2.gz NMIFBFNXMKTROC-YJBOKZPZSA-N 1 1 332.492 2.795 20 10 EFCDMO Nc1ccc(CN2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)cc1 ZINC001235599366 1313357951 /nfs/dbraw/zinc/35/79/51/1313357951.db2.gz YJPIFRFKFXPFGP-UYAOXDASSA-N 1 1 341.430 2.745 20 10 EFCDMO Nc1ccc(C[N@@H+]2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)cc1 ZINC001235599366 1313357956 /nfs/dbraw/zinc/35/79/56/1313357956.db2.gz YJPIFRFKFXPFGP-UYAOXDASSA-N 1 1 341.430 2.745 20 10 EFCDMO Nc1ccc(C[N@H+]2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)cc1 ZINC001235599366 1313357960 /nfs/dbraw/zinc/35/79/60/1313357960.db2.gz YJPIFRFKFXPFGP-UYAOXDASSA-N 1 1 341.430 2.745 20 10 EFCDMO C[C@H](NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(N(C)C)cc1 ZINC000776248900 1297270904 /nfs/dbraw/zinc/27/09/04/1297270904.db2.gz LGPKDYRMAIGDSO-QGTPRVQTSA-N 1 1 330.476 2.692 20 10 EFCDMO C[C@H]1CC[C@@H](C[NH3+])N(Cc2cc(F)cc(Br)c2O)C1 ZINC001205841416 1313364399 /nfs/dbraw/zinc/36/43/99/1313364399.db2.gz JUWJXZKCLZBKDN-CABZTGNLSA-N 1 1 331.229 2.853 20 10 EFCDMO C[C@@H]1CC[C@@H](CN)[N@H+](Cc2ccc(OCC(F)(F)F)cc2O)C1 ZINC001205856513 1313367090 /nfs/dbraw/zinc/36/70/90/1313367090.db2.gz WERVANLGOFPINB-YPMHNXCESA-N 1 1 332.366 2.893 20 10 EFCDMO C[C@@H]1CC[C@@H](CN)[N@@H+](Cc2ccc(OCC(F)(F)F)cc2O)C1 ZINC001205856513 1313367094 /nfs/dbraw/zinc/36/70/94/1313367094.db2.gz WERVANLGOFPINB-YPMHNXCESA-N 1 1 332.366 2.893 20 10 EFCDMO CC(C)(C)c1ccc(C[N@H+]2CCOC[C@@](O)(C(F)(F)F)C2)c(O)c1 ZINC001235676050 1313372027 /nfs/dbraw/zinc/37/20/27/1313372027.db2.gz OLQREIZOOCNYAC-MRXNPFEDSA-N 1 1 347.377 2.815 20 10 EFCDMO CC(C)(C)c1ccc(CN2CC[NH+](C[C@H]3CCCO3)CC2)c(O)c1 ZINC001235686042 1313375327 /nfs/dbraw/zinc/37/53/27/1313375327.db2.gz WSYPIJIYNBOKRM-GOSISDBHSA-N 1 1 332.488 2.986 20 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/nfs/dbraw/zinc/43/32/58/1313433258.db2.gz WFFNNERCZWHGSB-UHFFFAOYSA-N 1 1 329.488 2.631 20 10 EFCDMO Fc1cccc2c1CCN(Cc1ccc(N3CC[NH2+]CC3)cc1)C2 ZINC001236049111 1313434538 /nfs/dbraw/zinc/43/45/38/1313434538.db2.gz YMHILLQTTMCEMG-UHFFFAOYSA-N 1 1 325.431 2.794 20 10 EFCDMO CCC[C@@H]1CNCC[N@@H+]1Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001236130370 1313444605 /nfs/dbraw/zinc/44/46/05/1313444605.db2.gz CXEQIURGWBOZDN-QGZVFWFLSA-N 1 1 329.488 2.665 20 10 EFCDMO CCC[C@@H]1CNCC[N@H+]1Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001236130370 1313444608 /nfs/dbraw/zinc/44/46/08/1313444608.db2.gz CXEQIURGWBOZDN-QGZVFWFLSA-N 1 1 329.488 2.665 20 10 EFCDMO CN(Cc1cc(F)cc(Br)c1O)[C@@]1(C)CCC[NH2+]C1 ZINC001236204595 1313455257 /nfs/dbraw/zinc/45/52/57/1313455257.db2.gz BUDZJZRHPSHWPQ-AWEZNQCLSA-N 1 1 331.229 2.868 20 10 EFCDMO CN(Cc1cc(Br)cc(F)c1O)[C@]1(C)CCC[NH2+]C1 ZINC001236207747 1313455901 /nfs/dbraw/zinc/45/59/01/1313455901.db2.gz RRIAIZBXEAMRIU-CQSZACIVSA-N 1 1 331.229 2.868 20 10 EFCDMO CCCN(Cc1cc(Br)c(F)cc1O)[C@H]1CC[NH2+]C1 ZINC001236324820 1313469895 /nfs/dbraw/zinc/46/98/95/1313469895.db2.gz UOCURIGHVHBQHL-NSHDSACASA-N 1 1 331.229 2.868 20 10 EFCDMO COc1ccc(N2CCN(Cc3ccc(C[NH3+])cc3)CC2)c(C)c1 ZINC001236366389 1313474100 /nfs/dbraw/zinc/47/41/00/1313474100.db2.gz BRAFZMKEPLDHRB-UHFFFAOYSA-N 1 1 325.456 2.785 20 10 EFCDMO CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001049914212 1313477126 /nfs/dbraw/zinc/47/71/26/1313477126.db2.gz BGBSUTCZMXXUSH-CVEARBPZSA-N 1 1 343.431 2.938 20 10 EFCDMO COC(=O)c1c(CN2CCCC[C@](C)(C[NH3+])C2)c2ccccc2n1C ZINC001206564529 1313477406 /nfs/dbraw/zinc/47/74/06/1313477406.db2.gz QDNJDUVTDFLYFF-HXUWFJFHSA-N 1 1 343.471 2.916 20 10 EFCDMO CCC[NH+](CCC)CCCN1CCN(Cc2ccc(N)cc2)CC1 ZINC001236433758 1313480426 /nfs/dbraw/zinc/48/04/26/1313480426.db2.gz LEHOISWRDLQZFT-UHFFFAOYSA-N 1 1 332.536 2.899 20 10 EFCDMO CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001049918677 1313483587 /nfs/dbraw/zinc/48/35/87/1313483587.db2.gz SDZZITLOHJQVAS-HUUCEWRRSA-N 1 1 329.404 2.548 20 10 EFCDMO CC(C)N(Cc1cc(Br)c(F)cc1O)[C@@H]1CC[NH2+]C1 ZINC001236531171 1313488960 /nfs/dbraw/zinc/48/89/60/1313488960.db2.gz VRIRCZVROFERGM-LLVKDONJSA-N 1 1 331.229 2.866 20 10 EFCDMO C[C@@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)c1nnnn1C1CC1 ZINC000191836945 1298320574 /nfs/dbraw/zinc/32/05/74/1298320574.db2.gz KQFIDVFGAYOZCK-CQSZACIVSA-N 1 1 326.448 2.849 20 10 EFCDMO Cc1cc(Br)c([O-])c(C[N@@H+]2CCc3nccn3CC2)c1 ZINC001236669696 1313506442 /nfs/dbraw/zinc/50/64/42/1313506442.db2.gz QSEVGRVVSMDPDN-UHFFFAOYSA-N 1 1 336.233 2.718 20 10 EFCDMO Cc1cc(Br)c(O)c(C[N@H+]2CCc3nccn3CC2)c1 ZINC001236669696 1313506443 /nfs/dbraw/zinc/50/64/43/1313506443.db2.gz QSEVGRVVSMDPDN-UHFFFAOYSA-N 1 1 336.233 2.718 20 10 EFCDMO Cc1cc(Br)c(O)c(C[N@@H+]2CCc3nccn3CC2)c1 ZINC001236669696 1313506444 /nfs/dbraw/zinc/50/64/44/1313506444.db2.gz QSEVGRVVSMDPDN-UHFFFAOYSA-N 1 1 336.233 2.718 20 10 EFCDMO Cc1cc(Br)c(O)c(CN2C[C@@H]3CCC[N@H+](C)[C@@H]3C2)c1 ZINC001236668658 1313506606 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COc1ccc(O)c(CNC(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)c1 ZINC000853736717 1300251171 /nfs/dbraw/zinc/25/11/71/1300251171.db2.gz LJRNIOQUQWOGOW-HNNXBMFYSA-N 1 1 347.459 2.607 20 10 EFCDMO C[C@H]1C(=O)N(C)CC[N@@H+]1Cc1cc(-c2ccc(F)cc2)ccc1O ZINC001237645778 1313683210 /nfs/dbraw/zinc/68/32/10/1313683210.db2.gz LAAOKNKHZTVKNJ-ZDUSSCGKSA-N 1 1 328.387 2.861 20 10 EFCDMO CN1CC[N@@H+](Cc2cc(-c3ccc(F)cc3)ccc2O)CCC1=O ZINC001237647105 1313685096 /nfs/dbraw/zinc/68/50/96/1313685096.db2.gz RITFNHSPSULWEY-UHFFFAOYSA-N 1 1 328.387 2.862 20 10 EFCDMO Cc1cc(O)c(CN2C[C@H](C)[N@H+](C)C[C@H]2C)cc1Br ZINC001237680515 1313689907 /nfs/dbraw/zinc/68/99/07/1313689907.db2.gz JKKZPLCTKHFAAF-NWDGAFQWSA-N 1 1 327.266 2.988 20 10 EFCDMO COc1cc(C[N@H+]2CCCc3cc(O)c(O)cc3C2)c(O)c(OC)c1 ZINC001237681725 1313690477 /nfs/dbraw/zinc/69/04/77/1313690477.db2.gz RRKQHUSSSIZLBZ-UHFFFAOYSA-N 1 1 345.395 2.769 20 10 EFCDMO Cc1cc(O)c(C[N@@H+]2C[C@@H]3OCC(F)(F)[C@@H]3C2)cc1Br ZINC001237681876 1313691080 /nfs/dbraw/zinc/69/10/80/1313691080.db2.gz SXRWIXTULPWWEF-MFKMUULPSA-N 1 1 348.187 2.929 20 10 EFCDMO Cc1cc(O)c(C[N@H+]2C[C@@H]3OCC(F)(F)[C@@H]3C2)cc1Br ZINC001237681876 1313691083 /nfs/dbraw/zinc/69/10/83/1313691083.db2.gz SXRWIXTULPWWEF-MFKMUULPSA-N 1 1 348.187 2.929 20 10 EFCDMO Cc1cc(O)c(C[N@@H+]2CCC3(CN(C)C3)C2)cc1Br ZINC001237687118 1313691478 /nfs/dbraw/zinc/69/14/78/1313691478.db2.gz ZTFXJZHCTFBWOA-UHFFFAOYSA-N 1 1 325.250 2.601 20 10 EFCDMO Cc1cc(O)c(CN2CCC3(C[NH+](C)C3)C2)cc1Br ZINC001237687118 1313691481 /nfs/dbraw/zinc/69/14/81/1313691481.db2.gz ZTFXJZHCTFBWOA-UHFFFAOYSA-N 1 1 325.250 2.601 20 10 EFCDMO CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2cc(Br)c(C)cc2O)C1 ZINC001237686102 1313691495 /nfs/dbraw/zinc/69/14/95/1313691495.db2.gz TVSXXGQFBMHSRN-CYBMUJFWSA-N 1 1 341.249 2.516 20 10 EFCDMO COc1cc(C[N@H+]2CCC[C@@H](Oc3ccncc3)C2)c(O)c(OC)c1 ZINC001237684171 1313692056 /nfs/dbraw/zinc/69/20/56/1313692056.db2.gz NEQUXWSQFRYOBM-MRXNPFEDSA-N 1 1 344.411 2.848 20 10 EFCDMO CCOC(=O)C[N@H+](Cc1cc(OC)cc(OC)c1O)C1CCCC1 ZINC001237686001 1313692079 /nfs/dbraw/zinc/69/20/79/1313692079.db2.gz WOBGWSXBUAFBBY-UHFFFAOYSA-N 1 1 337.416 2.717 20 10 EFCDMO CCOC(=O)C[N@@H+](Cc1cc(OC)cc(OC)c1O)C1CCCC1 ZINC001237686001 1313692081 /nfs/dbraw/zinc/69/20/81/1313692081.db2.gz WOBGWSXBUAFBBY-UHFFFAOYSA-N 1 1 337.416 2.717 20 10 EFCDMO COc1cc(C[N@@H+](C)Cc2cnc3ccccn23)c(O)c(OC)c1 ZINC001237671156 1313688865 /nfs/dbraw/zinc/68/88/65/1313688865.db2.gz ZBWKGFGTCWWXSL-UHFFFAOYSA-N 1 1 327.384 2.689 20 10 EFCDMO CCOc1cccc(C[NH2+]Cc2n[nH]cc2Br)c1O ZINC000718128319 1300451464 /nfs/dbraw/zinc/45/14/64/1300451464.db2.gz IBMJHKQHIOOOJB-UHFFFAOYSA-N 1 1 326.194 2.566 20 10 EFCDMO COC[C@@H]1CCC[N@@H+]1Cc1cccc(I)c1O ZINC001237778471 1313704795 /nfs/dbraw/zinc/70/47/95/1313704795.db2.gz WIJMLHDGVJOMJY-NSHDSACASA-N 1 1 347.196 2.608 20 10 EFCDMO COC[C@@H]1CCC[N@H+]1Cc1cccc(I)c1O ZINC001237778471 1313704797 /nfs/dbraw/zinc/70/47/97/1313704797.db2.gz WIJMLHDGVJOMJY-NSHDSACASA-N 1 1 347.196 2.608 20 10 EFCDMO CC(C)NC(=O)N1CC[C@H]2C[N@@H+](Cc3cccc(F)c3O)C[C@H]2CC1 ZINC001276538663 1313707743 /nfs/dbraw/zinc/70/77/43/1313707743.db2.gz FHZOAEMTVAKRPO-GASCZTMLSA-N 1 1 349.450 2.793 20 10 EFCDMO CC(C)NC(=O)N1CC[C@H]2C[N@H+](Cc3cccc(F)c3O)C[C@H]2CC1 ZINC001276538663 1313707745 /nfs/dbraw/zinc/70/77/45/1313707745.db2.gz FHZOAEMTVAKRPO-GASCZTMLSA-N 1 1 349.450 2.793 20 10 EFCDMO C[C@@H]1CN(C[C@H]2CCC[N@H+]2Cc2ccc(N(C)C)cc2)C[C@H](C)O1 ZINC000245567254 1300661273 /nfs/dbraw/zinc/66/12/73/1300661273.db2.gz UGZADKZGWWWZDE-FUHIMQAGSA-N 1 1 331.504 2.826 20 10 EFCDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@@H]2CN2C[C@@H](C)O[C@H](C)C2)c1 ZINC000245573340 1300662745 /nfs/dbraw/zinc/66/27/45/1300662745.db2.gz YXKIIVWMDOPTMW-JFIYKMOQSA-N 1 1 348.487 2.865 20 10 EFCDMO Oc1c(Br)cccc1C[N@@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000245695384 1300729771 /nfs/dbraw/zinc/72/97/71/1300729771.db2.gz BCTKCLVYYPWDLB-CHWSQXEVSA-N 1 1 344.274 2.861 20 10 EFCDMO Oc1c(Br)cccc1C[N@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000245695384 1300729775 /nfs/dbraw/zinc/72/97/75/1300729775.db2.gz BCTKCLVYYPWDLB-CHWSQXEVSA-N 1 1 344.274 2.861 20 10 EFCDMO CC(C)N1CCC[C@H]([N@H+](Cc2ccccc2O)C[C@H]2CCCO2)C1=O ZINC000245705685 1300734247 /nfs/dbraw/zinc/73/42/47/1300734247.db2.gz YOGBXMGGHZIIMD-MSOLQXFVSA-N 1 1 346.471 2.773 20 10 EFCDMO CN(C)c1ccc(C[N@@H+](C)Cc2cccc(N3CCOCC3)n2)cc1 ZINC001237856448 1313721214 /nfs/dbraw/zinc/72/12/14/1313721214.db2.gz QNTKXRJENJJEGG-UHFFFAOYSA-N 1 1 340.471 2.616 20 10 EFCDMO COc1ccc(N2CCC[N@H+](CN3C[C@H](C(C)C)CC3=O)CC2)cc1 ZINC000113241636 1300917828 /nfs/dbraw/zinc/91/78/28/1300917828.db2.gz XCXWDRJDKILXHW-QGZVFWFLSA-N 1 1 345.487 2.669 20 10 EFCDMO COc1ccc(N2CCC[N@@H+](CN3C[C@H](C(C)C)CC3=O)CC2)cc1 ZINC000113241636 1300917836 /nfs/dbraw/zinc/91/78/36/1300917836.db2.gz XCXWDRJDKILXHW-QGZVFWFLSA-N 1 1 345.487 2.669 20 10 EFCDMO [O-]c1cc(Cl)c(F)cc1C[N@H+]1CC[C@@]2(CCN2c2ncccn2)C1 ZINC001237938536 1313733797 /nfs/dbraw/zinc/73/37/97/1313733797.db2.gz JVRNSJQYEMSOPN-QGZVFWFLSA-N 1 1 348.809 2.830 20 10 EFCDMO Oc1cc(Cl)c(F)cc1C[N@@H+]1CC[C@@]2(CCN2c2ncccn2)C1 ZINC001237938536 1313733801 /nfs/dbraw/zinc/73/38/01/1313733801.db2.gz JVRNSJQYEMSOPN-QGZVFWFLSA-N 1 1 348.809 2.830 20 10 EFCDMO Oc1cc(Cl)c(F)cc1C[N@H+]1CC[C@@]2(CCN2c2ncccn2)C1 ZINC001237938536 1313733804 /nfs/dbraw/zinc/73/38/04/1313733804.db2.gz JVRNSJQYEMSOPN-QGZVFWFLSA-N 1 1 348.809 2.830 20 10 EFCDMO CN1C(=O)CC[C@@H]2C[N@@H+](Cc3cc(F)c(Cl)cc3O)CC[C@@H]21 ZINC001237943871 1313734592 /nfs/dbraw/zinc/73/45/92/1313734592.db2.gz QDQCSOFIELKODN-YGRLFVJLSA-N 1 1 326.799 2.627 20 10 EFCDMO CN1C(=O)CC[C@@H]2C[N@H+](Cc3cc(F)c(Cl)cc3O)CC[C@@H]21 ZINC001237943871 1313734594 /nfs/dbraw/zinc/73/45/94/1313734594.db2.gz QDQCSOFIELKODN-YGRLFVJLSA-N 1 1 326.799 2.627 20 10 EFCDMO O=C1NCCC2(CC[NH+](Cc3cc(F)c(Cl)cc3O)CC2)O1 ZINC001237948600 1313735611 /nfs/dbraw/zinc/73/56/11/1313735611.db2.gz FIUHFKDOSDQZMZ-UHFFFAOYSA-N 1 1 328.771 2.649 20 10 EFCDMO C[NH+](C)CCCN(CCC[NH+](C)C)Cc1cc(F)c(Cl)cc1[O-] ZINC001237950460 1313735736 /nfs/dbraw/zinc/73/57/36/1313735736.db2.gz UWSUNXGKQCRGOT-UHFFFAOYSA-N 1 1 345.890 2.890 20 10 EFCDMO O=C(/C=C/c1ccc(O)c(O)c1)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000855809536 1301126334 /nfs/dbraw/zinc/12/63/34/1301126334.db2.gz HGFHYWIGPOTMNZ-HEWZJLJBSA-N 1 1 330.428 2.634 20 10 EFCDMO O=C(/C=C\c1ccc(O)c(O)c1)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000855809539 1301126551 /nfs/dbraw/zinc/12/65/51/1301126551.db2.gz HGFHYWIGPOTMNZ-VIHMKRCTSA-N 1 1 330.428 2.634 20 10 EFCDMO Cc1cc(C(=O)C[N@@H+]2CC[C@H](n3cncn3)C2)c(C)n1-c1ccccc1 ZINC000776874297 1301215999 /nfs/dbraw/zinc/21/59/99/1301215999.db2.gz PSRIIXDYKNTPSD-SFHVURJKSA-N 1 1 349.438 2.815 20 10 EFCDMO Cc1cc(C(=O)C[N@H+]2CC[C@H](n3cncn3)C2)c(C)n1-c1ccccc1 ZINC000776874297 1301216004 /nfs/dbraw/zinc/21/60/04/1301216004.db2.gz PSRIIXDYKNTPSD-SFHVURJKSA-N 1 1 349.438 2.815 20 10 EFCDMO CCOC[C@@H]1Cn2nccc2C[N@@H+](Cc2cc(F)cc(C)c2O)C1 ZINC001238061993 1313753216 /nfs/dbraw/zinc/75/32/16/1313753216.db2.gz SBEBXOAYGQYXIY-AWEZNQCLSA-N 1 1 333.407 2.705 20 10 EFCDMO Cc1cc(F)cc(C[N@@H+]2C[C@H]3CN(Cc4nccs4)C[C@H]3C2)c1O ZINC001238062030 1313753282 /nfs/dbraw/zinc/75/32/82/1313753282.db2.gz SMAVLXMWTKVREO-GASCZTMLSA-N 1 1 347.459 2.860 20 10 EFCDMO Cc1cc(F)cc(C[N@H+]2C[C@H]3CN(c4ccsc4)C(=O)[C@H]3C2)c1O ZINC001238060404 1313753351 /nfs/dbraw/zinc/75/33/51/1313753351.db2.gz HURFCQVRCIUPTO-BBRMVZONSA-N 1 1 346.427 2.996 20 10 EFCDMO Cc1cc(F)cc(C[N@@H+]2C[C@H]3CN(Cc4cccnc4)C[C@H]3C2)c1O ZINC001238063910 1313754059 /nfs/dbraw/zinc/75/40/59/1313754059.db2.gz MSBZDDJLVSVGAG-HDICACEKSA-N 1 1 341.430 2.799 20 10 EFCDMO CN1CCO[C@]2(CCC[N@@H+](Cc3ccc(N4CCCCC4)cc3)C2)C1 ZINC001276551078 1313808602 /nfs/dbraw/zinc/80/86/02/1313808602.db2.gz AGWSIYNZKQMBKO-OAQYLSRUSA-N 1 1 343.515 2.974 20 10 EFCDMO CN(C)c1cc(F)c(C[NH+]2CCC(O[C@H]3CCOC3)CC2)cc1F ZINC000862250751 1302323602 /nfs/dbraw/zinc/32/36/02/1302323602.db2.gz TWIBMGDVNHHDET-HNNXBMFYSA-N 1 1 340.414 2.801 20 10 EFCDMO CN(C)C(=O)CC1CC[NH+](Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC000862308789 1302333348 /nfs/dbraw/zinc/33/33/48/1302333348.db2.gz IIUATCGYJIDNCM-UHFFFAOYSA-N 1 1 339.430 2.721 20 10 EFCDMO COCCO[C@H]1CCC[N@@H+](Cc2c(O)cccc2Br)C1 ZINC000862357092 1302344476 /nfs/dbraw/zinc/34/44/76/1302344476.db2.gz TVOKTCBVPJXWBN-LBPRGKRZSA-N 1 1 344.249 2.782 20 10 EFCDMO COC(=O)[C@]1(C)CCC[N@@H+](Cc2c(O)cccc2Br)C1 ZINC000862394581 1302366522 /nfs/dbraw/zinc/36/65/22/1302366522.db2.gz LMBVNRDHQQABRD-OAHLLOKOSA-N 1 1 342.233 2.930 20 10 EFCDMO COC(=O)[C@@H]1CC[N@@H+](Cc2c(O)cccc2Br)C[C@@H]1C ZINC000862418824 1302377215 /nfs/dbraw/zinc/37/72/15/1302377215.db2.gz LXKBXGUSKSSZRB-WDEREUQCSA-N 1 1 342.233 2.786 20 10 EFCDMO COc1cc(Cl)cc(C[NH2+]C(C)(C)c2nc(C)cc(=O)[nH]2)c1O ZINC000862432799 1302382846 /nfs/dbraw/zinc/38/28/46/1302382846.db2.gz NMHQTVVNTMNNPC-UHFFFAOYSA-N 1 1 337.807 2.883 20 10 EFCDMO O=C(N1CCCC12CC2)[C@@]12C[C@@H]1CC[N@@H+]2Cc1cc(F)ccc1O ZINC001278254748 1313844215 /nfs/dbraw/zinc/84/42/15/1313844215.db2.gz GKFQEKUZTONVCL-IFXJQAMLSA-N 1 1 330.403 2.651 20 10 EFCDMO CC(C)(C)NC(=O)[C@H]1[C@H]2CC[C@@H]1C[N@@H+](Cc1cc(F)ccc1O)C2 ZINC001278255266 1313844487 /nfs/dbraw/zinc/84/44/87/1313844487.db2.gz RIESBLYRDMXPMJ-FVCICTRLSA-N 1 1 334.435 2.904 20 10 EFCDMO COC(=O)[C@H]1C[N@@H+](Cc2cc(C)cc(OC)c2O)Cc2ccccc21 ZINC000863334334 1302590658 /nfs/dbraw/zinc/59/06/58/1302590658.db2.gz ZRKYNWIAXBBUJO-KRWDZBQOSA-N 1 1 341.407 2.982 20 10 EFCDMO C[C@@H]1OCC[C@]12C[N@@H+](Cc1cc(C(C)(C)C)cc(O)c1O)CCO2 ZINC000794662849 1302885577 /nfs/dbraw/zinc/88/55/77/1302885577.db2.gz PGPXUTGBDANHDR-DJJJIMSYSA-N 1 1 335.444 2.775 20 10 EFCDMO COc1cc(C[N@@H+]2CCC[C@@]23CCOC3=O)c(O)c(C(C)(C)C)c1 ZINC000825566866 1303320769 /nfs/dbraw/zinc/32/07/69/1303320769.db2.gz ATBMDVRTYYNNSN-IBGZPJMESA-N 1 1 333.428 2.980 20 10 EFCDMO COc1cc(C[N@H+]2CCC[C@@]23CCOC3=O)c(O)c(C(C)(C)C)c1 ZINC000825566866 1303320775 /nfs/dbraw/zinc/32/07/75/1303320775.db2.gz ATBMDVRTYYNNSN-IBGZPJMESA-N 1 1 333.428 2.980 20 10 EFCDMO COc1cc(C[N@@H+]2CCC[C@]23CCOC3=O)c(O)c(C(C)(C)C)c1 ZINC000825566867 1303320954 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343.431 2.699 20 10 EFCDMO CCC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000968684997 1306565668 /nfs/dbraw/zinc/56/56/68/1306565668.db2.gz LNFJNLKZIJEEMS-IUODEOHRSA-N 1 1 331.420 2.699 20 10 EFCDMO C[N@H+](CCC(N)=O)CC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000796594984 1306602176 /nfs/dbraw/zinc/60/21/76/1306602176.db2.gz CFJBOLFKAHAHIJ-UHFFFAOYSA-N 1 1 339.399 2.848 20 10 EFCDMO C[N@@H+](CCC(N)=O)CC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000796594984 1306602179 /nfs/dbraw/zinc/60/21/79/1306602179.db2.gz CFJBOLFKAHAHIJ-UHFFFAOYSA-N 1 1 339.399 2.848 20 10 EFCDMO Cc1ccc(C)n1-c1ccc(CN2CCN(CC[NH+](C)C)CC2)cc1 ZINC001209519610 1314178277 /nfs/dbraw/zinc/17/82/77/1314178277.db2.gz YCSLBIXCGSHVPE-UHFFFAOYSA-N 1 1 340.515 2.773 20 10 EFCDMO COCCN1CC[NH+](Cc2ccc(-n3c(C)ccc3C)cc2)CC1 ZINC001209516968 1314178603 /nfs/dbraw/zinc/17/86/03/1314178603.db2.gz UZKMCKQAMSAYOV-UHFFFAOYSA-N 1 1 327.472 2.858 20 10 EFCDMO Cc1ccc(C)n1-c1ccc(C[N@H+]2CC[C@@](C)(CO)[C@H](O)C2)cc1 ZINC001209516819 1314178719 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YWIBUFDOTUTFJV-CALCHBBNSA-N 1 1 331.460 2.721 20 10 EFCDMO COc1cc(C)c(C[N@H+]2C[C@@H]3OCCN(C4CCCC4)[C@H]3C2)c(O)c1 ZINC001276806164 1315327224 /nfs/dbraw/zinc/32/72/24/1315327224.db2.gz IULHTRIDKJLKAO-ICSRJNTNSA-N 1 1 346.471 2.537 20 10 EFCDMO CCOc1ccc(C[N@H+]2C[C@@H]3OCCN(C4CCCC4)[C@H]3C2)c(O)c1 ZINC001276814033 1315422406 /nfs/dbraw/zinc/42/24/06/1315422406.db2.gz BEBRXZVJHKAMQV-ICSRJNTNSA-N 1 1 346.471 2.619 20 10 EFCDMO CCOc1ccc(CN2C[C@@H]3OCC[N@H+](C4CCCC4)[C@H]3C2)c(O)c1 ZINC001276814033 1315422409 /nfs/dbraw/zinc/42/24/09/1315422409.db2.gz BEBRXZVJHKAMQV-ICSRJNTNSA-N 1 1 346.471 2.619 20 10 EFCDMO CCOc1ccc(CN2C[C@@H]3OCC[N@@H+](C4CCCC4)[C@H]3C2)c(O)c1 ZINC001276814033 1315422412 /nfs/dbraw/zinc/42/24/12/1315422412.db2.gz BEBRXZVJHKAMQV-ICSRJNTNSA-N 1 1 346.471 2.619 20 10 EFCDMO CC[C@@H](C)C[N@H+]1CC[C@@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001039060598 1315433869 /nfs/dbraw/zinc/43/38/69/1315433869.db2.gz LXEGPYOEYWTOBR-IUODEOHRSA-N 1 1 331.420 2.699 20 10 EFCDMO CC[C@H](C)C[N@H+]1CC[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001039060601 1315434083 /nfs/dbraw/zinc/43/40/83/1315434083.db2.gz LXEGPYOEYWTOBR-WFASDCNBSA-N 1 1 331.420 2.699 20 10 EFCDMO CC(C)=CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001039061678 1315435005 /nfs/dbraw/zinc/43/50/05/1315435005.db2.gz SHQRAEIBYRZWJH-HNNXBMFYSA-N 1 1 329.404 2.619 20 10 EFCDMO CC(C)=CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001039061678 1315435009 /nfs/dbraw/zinc/43/50/09/1315435009.db2.gz SHQRAEIBYRZWJH-HNNXBMFYSA-N 1 1 329.404 2.619 20 10 EFCDMO C[C@@H]1CN(Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC(C)(C)O1 ZINC001253996828 1315663391 /nfs/dbraw/zinc/66/33/91/1315663391.db2.gz HDAZYISZJHHIIJ-OAHLLOKOSA-N 1 1 335.467 2.577 20 10 EFCDMO CC[N@@H+](Cc1ccc(N2CCN(C)CC2)c(F)c1)Cc1ccccn1 ZINC001254010698 1315665501 /nfs/dbraw/zinc/66/55/01/1315665501.db2.gz JXJWPQHZWDCWEH-UHFFFAOYSA-N 1 1 342.462 2.995 20 10 EFCDMO N[C@H](c1ccccc1O)[C@H]([NH2+][C@@H]1CCCOC1)c1ccccc1O ZINC001254369267 1315697920 /nfs/dbraw/zinc/69/79/20/1315697920.db2.gz HKXCJWGNRJAAMG-UPRAQXHNSA-N 1 1 328.412 2.608 20 10 EFCDMO COc1ccc(N2CC[NH+]([C@H]3CC4CCN(CC4)C3)CC2)c(C)c1 ZINC001254869420 1315753095 /nfs/dbraw/zinc/75/30/95/1315753095.db2.gz VRMDZLYPTUHMMH-SFHVURJKSA-N 1 1 329.488 2.610 20 10 EFCDMO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)[C@H]1C[C@@H]2CC(=O)C[C@@H]2C1 ZINC001254954665 1315764546 /nfs/dbraw/zinc/76/45/46/1315764546.db2.gz TWECFOHSISGYQE-DZFIZOCASA-N 1 1 328.456 2.713 20 10 EFCDMO O=C(C1CC1)N1CCC[N@@H+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001255473890 1315828027 /nfs/dbraw/zinc/82/80/27/1315828027.db2.gz LTIDVQKLBQZVFI-UHFFFAOYSA-N 1 1 327.472 2.731 20 10 EFCDMO C[C@@H](CS(=O)(=O)c1ccccc1)[N@@H+]1CCc2cccc(O)c2C1 ZINC001255825968 1315870772 /nfs/dbraw/zinc/87/07/72/1315870772.db2.gz FGLGTCOSIQYRGI-AWEZNQCLSA-N 1 1 331.437 2.613 20 10 EFCDMO C[C@@H](CS(=O)(=O)c1ccccc1)[N@H+]1CCc2cccc(O)c2C1 ZINC001255825968 1315870775 /nfs/dbraw/zinc/87/07/75/1315870775.db2.gz FGLGTCOSIQYRGI-AWEZNQCLSA-N 1 1 331.437 2.613 20 10 EFCDMO Cc1cc(C[N@H+]2CCC[C@H](OCCO)C2)ccc1N1CCCCC1 ZINC000827833938 1316021330 /nfs/dbraw/zinc/02/13/30/1316021330.db2.gz CKZVDVMALWLTEU-IBGZPJMESA-N 1 1 332.488 2.959 20 10 EFCDMO C[C@@H]1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C[N@H+]1CC1CC1 ZINC001072103354 1316358550 /nfs/dbraw/zinc/35/85/50/1316358550.db2.gz XRJAOUSKDXQUHR-WBMJQRKESA-N 1 1 343.431 2.842 20 10 EFCDMO COc1cccc(NCc2ccc(N3CC[NH+](C)CC3)c(F)c2)n1 ZINC001261671096 1316424065 /nfs/dbraw/zinc/42/40/65/1316424065.db2.gz HTELYUXMYJJJRO-UHFFFAOYSA-N 1 1 330.407 2.593 20 10 EFCDMO COc1ccc(CN[C@@H]2CCCC[C@@H]2[NH+](C)C)cc1Cn1cccn1 ZINC001261902857 1316436839 /nfs/dbraw/zinc/43/68/39/1316436839.db2.gz FNRRRFOWHKJIIR-MOPGFXCFSA-N 1 1 342.487 2.902 20 10 EFCDMO COc1ccc(CN[C@@H]2CCCC[C@H]2[NH+](C)C)cc1Cn1cccn1 ZINC001261902860 1316436936 /nfs/dbraw/zinc/43/69/36/1316436936.db2.gz FNRRRFOWHKJIIR-RTBURBONSA-N 1 1 342.487 2.902 20 10 EFCDMO COC(=O)C[C@@](C)([NH2+]Cc1ccc(OC)c(C)c1)c1ccccn1 ZINC001262263251 1316457349 /nfs/dbraw/zinc/45/73/49/1316457349.db2.gz KLNKYYOMJXKLNG-LJQANCHMSA-N 1 1 328.412 2.967 20 10 EFCDMO CC[C@@H]1CN(Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C[C@@H](C)O1 ZINC001319704829 1328956398 /nfs/dbraw/zinc/95/63/98/1328956398.db2.gz DAGQERFHYUBJIM-NVXWUHKLSA-N 1 1 335.467 2.577 20 10 EFCDMO C[C@H]1SCC[N@@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)[C@H]1C ZINC001319712631 1328960223 /nfs/dbraw/zinc/96/02/23/1328960223.db2.gz PTRJIWAOMLUQKG-LSDHHAIUSA-N 1 1 337.508 2.903 20 10 EFCDMO Cc1cc(CN2CCC[N@H+](Cc3ccc(N(C)C)c(F)c3)CC2)no1 ZINC001319815248 1329000689 /nfs/dbraw/zinc/00/06/89/1329000689.db2.gz OSFLEUMGRMXXGA-UHFFFAOYSA-N 1 1 346.450 2.896 20 10 EFCDMO C[C@@H]1CN=C(N2CC[NH+](Cc3ccc(N4CCCC4)cc3)CC2)S1 ZINC001319948148 1329041913 /nfs/dbraw/zinc/04/19/13/1329041913.db2.gz IOSICDLVLBKCJR-MRXNPFEDSA-N 1 1 344.528 2.896 20 10 EFCDMO CCOc1ccc(N2CC[NH+]([C@H]3CCCN(C(C)C)C3=O)CC2)cc1 ZINC001320364569 1329115732 /nfs/dbraw/zinc/11/57/32/1329115732.db2.gz BUMFVSIEXQGWHY-IBGZPJMESA-N 1 1 345.487 2.607 20 10 EFCDMO C[NH+]1CCN(c2ccc(C[N@H+]3CCCC[C@H]3CCC(=O)[O-])cc2)CC1 ZINC000901996104 1324765500 /nfs/dbraw/zinc/76/55/00/1324765500.db2.gz FSIQKAGWELRRDR-SFHVURJKSA-N 1 1 345.487 2.658 20 10 EFCDMO CC[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000904400723 1324875857 /nfs/dbraw/zinc/87/58/57/1324875857.db2.gz MEUGMQLTUHCRIG-HXUWFJFHSA-N 1 1 345.487 2.515 20 10 EFCDMO CO[C@@H]1CC[N@@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)[C@@H](C)C1 ZINC001321674072 1329402425 /nfs/dbraw/zinc/40/24/25/1329402425.db2.gz KXGSZTXTLXOFSH-DOTOQJQBSA-N 1 1 335.467 2.577 20 10 EFCDMO C[NH+]1CCN(c2ccc(CNc3nnc(C(C)(C)C)o3)cc2F)CC1 ZINC001323847621 1329578595 /nfs/dbraw/zinc/57/85/95/1329578595.db2.gz SALGSBCQFWOGOZ-UHFFFAOYSA-N 1 1 347.438 2.870 20 10 EFCDMO C[N@@H+](Cc1ccc(C(N)=O)cc1)Cc1cc(Br)ccc1O ZINC001324014995 1329591068 /nfs/dbraw/zinc/59/10/68/1329591068.db2.gz LOMNKMSSSOVJGI-UHFFFAOYSA-N 1 1 349.228 2.886 20 10 EFCDMO C[C@@H]1C[C@H](NCc2ccc(N3CC[NH+](C)CC3)c(F)c2)c2nccn21 ZINC001324438706 1329627506 /nfs/dbraw/zinc/62/75/06/1329627506.db2.gz OQCQEBURROYIEF-PBHICJAKSA-N 1 1 343.450 2.570 20 10 EFCDMO Cc1nn(CCO)c(C)c1C[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC001324716541 1329653513 /nfs/dbraw/zinc/65/35/13/1329653513.db2.gz NAJIWURSKYYFCL-UHFFFAOYSA-N 1 1 342.487 2.723 20 10 EFCDMO CCOc1ccc2c(c1)C[N@H+](Cc1cc3c(cc1O)OC[C@@H]3O)CC2 ZINC001324716271 1329653570 /nfs/dbraw/zinc/65/35/70/1329653570.db2.gz KIHMCOUWOHXNCN-IBGZPJMESA-N 1 1 341.407 2.775 20 10 EFCDMO CN(C)C(=O)O[C@H]1CCC[N@@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001325128861 1329672466 /nfs/dbraw/zinc/67/24/66/1329672466.db2.gz OBLZYXAIDPONNC-SFHVURJKSA-N 1 1 331.460 2.949 20 10 EFCDMO CCOc1ccc(N2CC[NH+]([C@H](C)C(=O)N3CCCCC3)CC2)cc1 ZINC001325182561 1329674290 /nfs/dbraw/zinc/67/42/90/1329674290.db2.gz WNOKJFHVKRBMSA-QGZVFWFLSA-N 1 1 345.487 2.608 20 10 EFCDMO CS[C@H]1CC[C@@H]([N@@H+](C)CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC001327314122 1330458481 /nfs/dbraw/zinc/45/84/81/1330458481.db2.gz WAIDHZXICHHFAZ-SJORKVTESA-N 1 1 335.517 2.585 20 10 EFCDMO CS[C@@H]1CC[C@@H]([N@@H+](C)CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC001327314114 1330458519 /nfs/dbraw/zinc/45/85/19/1330458519.db2.gz WAIDHZXICHHFAZ-IAGOWNOFSA-N 1 1 335.517 2.585 20 10 EFCDMO CN1CCN(c2ccc(C[N@H+]3CCSC[C@H]3C3CC3)cc2F)CC1 ZINC001327953827 1330533837 /nfs/dbraw/zinc/53/38/37/1330533837.db2.gz ZMROLYXLENPVCT-IBGZPJMESA-N 1 1 349.519 2.905 20 10 EFCDMO Cc1ccc(O)c(CNC(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001328763503 1330627850 /nfs/dbraw/zinc/62/78/50/1330627850.db2.gz AWQHKRBSRRLMNL-IYBDPMFKSA-N 1 1 333.476 2.868 20 10 EFCDMO CN(C)c1ccc(CNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cc1 ZINC001328772035 1330630129 /nfs/dbraw/zinc/63/01/29/1330630129.db2.gz QSAAVIPEHIBRHN-VQTJNVASSA-N 1 1 337.467 2.714 20 10 EFCDMO COC(=O)[C@@H]1C[N@@H+](Cc2ccc(N3CCCC3)cc2)C[C@H]1C1CC1 ZINC001329633168 1330725524 /nfs/dbraw/zinc/72/55/24/1330725524.db2.gz YOBQOVKQGJWYHM-RBUKOAKNSA-N 1 1 328.456 2.918 20 10 EFCDMO CN(C)c1cc(F)c(C[NH2+]Cc2ccc3c(c2)C(=O)NCC3)cc1F ZINC001331506456 1330844886 /nfs/dbraw/zinc/84/48/86/1330844886.db2.gz ZEJSYGYRECHDQI-UHFFFAOYSA-N 1 1 345.393 2.607 20 10 EFCDMO C[NH+]1CCN(c2ccc(CN3CC(C(F)(F)F)C3)cc2F)CC1 ZINC001331549676 1330851767 /nfs/dbraw/zinc/85/17/67/1330851767.db2.gz VEUIKGYZGPIZOC-UHFFFAOYSA-N 1 1 331.357 2.572 20 10 EFCDMO NC(=O)[C@@]1(c2ccccc2)CC[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC001333718676 1331201275 /nfs/dbraw/zinc/20/12/75/1331201275.db2.gz JXUNKVUYMWJVLI-SFHVURJKSA-N 1 1 348.805 2.814 20 10 EFCDMO NC(=O)[C@@]1(c2ccccc2)CC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC001333718676 1331201284 /nfs/dbraw/zinc/20/12/84/1331201284.db2.gz JXUNKVUYMWJVLI-SFHVURJKSA-N 1 1 348.805 2.814 20 10 EFCDMO OCC[C@@H]([NH2+]Cc1c(O)cccc1Br)c1ccco1 ZINC001334903607 1331328502 /nfs/dbraw/zinc/32/85/02/1331328502.db2.gz VAAIHZZQNMHDOO-GFCCVEGCSA-N 1 1 326.190 2.961 20 10 EFCDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NCc2ccc(N)cc2)C1 ZINC001335929185 1331417614 /nfs/dbraw/zinc/41/76/14/1331417614.db2.gz JRTHPAWCBHBKNJ-IYBDPMFKSA-N 1 1 332.492 2.826 20 10 EFCDMO Nc1ccc(C[N@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)cc1 ZINC001336118651 1331437109 /nfs/dbraw/zinc/43/71/09/1331437109.db2.gz ZCGIOQFSWSOGLT-MRXNPFEDSA-N 1 1 325.460 2.966 20 10 EFCDMO Cc1ccc(C[N@H+]2CC[C@H](NC(=O)NCc3ccc(N)cc3)C2)cc1 ZINC001336160017 1331441142 /nfs/dbraw/zinc/44/11/42/1331441142.db2.gz QKYVWFIAVNBPNJ-IBGZPJMESA-N 1 1 338.455 2.651 20 10 EFCDMO COC(=O)c1ccc(N2CC[N@@H+](Cc3ccc(N)cc3)[C@H](C)C2)cc1 ZINC001336284916 1331455160 /nfs/dbraw/zinc/45/51/60/1331455160.db2.gz DSSBOVCVFWOJCB-OAHLLOKOSA-N 1 1 339.439 2.766 20 10 EFCDMO Cc1ccccc1C[NH+]1CCN(C(=O)NCc2ccc(N)cc2)CC1 ZINC001337026094 1331529015 /nfs/dbraw/zinc/52/90/15/1331529015.db2.gz TWCKBIZMIBFWDX-UHFFFAOYSA-N 1 1 338.455 2.605 20 10 EFCDMO CCC[C@@H]1CN(Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CCO1 ZINC001337042869 1331530795 /nfs/dbraw/zinc/53/07/95/1331530795.db2.gz UIAKUKHVZJXXKE-QGZVFWFLSA-N 1 1 335.467 2.578 20 10 EFCDMO Nc1ccc(C[NH+]2CCN(C(=O)CCCc3ccccc3)CC2)cc1 ZINC001337837786 1331603769 /nfs/dbraw/zinc/60/37/69/1331603769.db2.gz FUKFWLNMPUHRMP-UHFFFAOYSA-N 1 1 337.467 2.936 20 10 EFCDMO COc1cc(C)cc(C[N@H+]2CCC[C@H](Cc3nccn3C)C2)c1O ZINC001338250122 1331679566 /nfs/dbraw/zinc/67/95/66/1331679566.db2.gz KAQVCFPTJPYIPC-OAHLLOKOSA-N 1 1 329.444 2.897 20 10 EFCDMO CCn1c(C2SC=CC2=O)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC001340903198 1332219475 /nfs/dbraw/zinc/21/94/75/1332219475.db2.gz NBNCOGSPLOGMMZ-NEPJUHHUSA-N 1 1 335.477 2.651 20 10 EFCDMO CCn1c(C2SC=CC2=O)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C ZINC001340903198 1332219477 /nfs/dbraw/zinc/21/94/77/1332219477.db2.gz NBNCOGSPLOGMMZ-NEPJUHHUSA-N 1 1 335.477 2.651 20 10 EFCDMO CCCCC[N@@H+](CCO)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001341523156 1332265042 /nfs/dbraw/zinc/26/50/42/1332265042.db2.gz FPMCSCHPPFEWTI-UHFFFAOYSA-N 1 1 337.483 2.562 20 10 EFCDMO CCC[N@@H+](Cc1ccc(N2CCCC2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC001341524447 1332265511 /nfs/dbraw/zinc/26/55/11/1332265511.db2.gz SPHXBXQVHMAEEM-SFHVURJKSA-N 1 1 336.501 2.686 20 10 EFCDMO COC1CCN(c2ccc(C[N@H+]3CCC[C@@](C)(CO)C3)cc2)CC1 ZINC001344122718 1332404077 /nfs/dbraw/zinc/40/40/77/1332404077.db2.gz BDINMGSHWQDLII-HXUWFJFHSA-N 1 1 332.488 2.896 20 10 EFCDMO C[N@@H+](Cc1ccc(N2CCCC2)cc1)C(C)(C)CN1CCOCC1 ZINC001345075790 1332506966 /nfs/dbraw/zinc/50/69/66/1332506966.db2.gz BEBIIKMPCQCYPD-UHFFFAOYSA-N 1 1 331.504 2.829 20 10 EFCDMO Nc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(F)cc3)CC2)cc1 ZINC001345159092 1332514253 /nfs/dbraw/zinc/51/42/53/1332514253.db2.gz AYEIHMSSCMMLGM-UHFFFAOYSA-N 1 1 327.403 2.756 20 10 EFCDMO Cc1cc(F)cc(NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)[nH+]1 ZINC001347932081 1332786473 /nfs/dbraw/zinc/78/64/73/1332786473.db2.gz KHOCTBMEXFTOEX-HNNXBMFYSA-N 1 1 342.418 2.843 20 10 EFCDMO C[C@@H]1C[C@@H]1c1nnc(NCc2ccc(N3CC[NH+](C)CC3)c(F)c2)o1 ZINC001348524512 1332845167 /nfs/dbraw/zinc/84/51/67/1332845167.db2.gz FBTRCUDPCKYLHT-OCCSQVGLSA-N 1 1 345.422 2.696 20 10 EFCDMO Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CC[C@@H]2C[C@H](C)C[N@@H+]2C1 ZINC001348861156 1332877653 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CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccc(N=NC(N)=O)cc3)C[C@@H]2C1 ZINC000980251896 717981172 /nfs/dbraw/zinc/98/11/72/717981172.db2.gz HBLAPUNQLLBRFE-LZWOXQAQSA-N 1 1 343.431 2.699 20 10 EFCDMO COc1ccc(C[N@H+](C)CC(=O)Nc2ccc(C)cc2)c(O)c1OC ZINC000891462180 714767540 /nfs/dbraw/zinc/76/75/40/714767540.db2.gz QXRMQEABFPUKKQ-UHFFFAOYSA-N 1 1 344.411 2.788 20 10 EFCDMO COc1ccc(C[N@@H+](C)CC(=O)Nc2ccc(C)cc2)c(O)c1OC ZINC000891462180 714767543 /nfs/dbraw/zinc/76/75/43/714767543.db2.gz QXRMQEABFPUKKQ-UHFFFAOYSA-N 1 1 344.411 2.788 20 10 EFCDMO CCn1cc(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)c(C)n1 ZINC000891527182 714802675 /nfs/dbraw/zinc/80/26/75/714802675.db2.gz VJLGEUUGYXVWRO-UHFFFAOYSA-N 1 1 328.460 2.680 20 10 EFCDMO Cn1cc(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)c(C2CC2)n1 ZINC000891527185 714802839 /nfs/dbraw/zinc/80/28/39/714802839.db2.gz VQTDQKFVRXYSLQ-UHFFFAOYSA-N 1 1 340.471 2.766 20 10 EFCDMO CN(C)c1ccc(C[N@@H+](Cc2cnc3n2CCOC3)C2CC2)cc1 ZINC000891596129 714842795 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CCCCCNC(=O)C[N@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000052465473 716197132 /nfs/dbraw/zinc/19/71/32/716197132.db2.gz FALSAPOFACHTSX-UHFFFAOYSA-N 1 1 333.476 2.514 20 10 EFCDMO C[C@H](NCCC(C)(C)[NH3+])c1ccc(N2CCOCC2)cc1Cl ZINC000925740842 716202543 /nfs/dbraw/zinc/20/25/43/716202543.db2.gz LYUKHKYMJWZHQF-ZDUSSCGKSA-N 1 1 325.884 2.955 20 10 EFCDMO COc1cc(Br)cc(C[N@@H+]2CCC[C@@H](OC)C2)c1O ZINC000091772308 716326180 /nfs/dbraw/zinc/32/61/80/716326180.db2.gz LLPISADTPRSMOW-GFCCVEGCSA-N 1 1 330.222 2.774 20 10 EFCDMO COc1ccc(N(C)CC[N@@H+](C)Cc2cn(C)nc2C2CC2)cc1 ZINC000895153140 723475632 /nfs/dbraw/zinc/47/56/32/723475632.db2.gz RDOCGOHHWKNQEO-UHFFFAOYSA-N 1 1 328.460 2.874 20 10 EFCDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000162892370 717350172 /nfs/dbraw/zinc/35/01/72/717350172.db2.gz VSDKWEYVEDRLCH-SFHVURJKSA-N 1 1 346.519 2.920 20 10 EFCDMO C[N@@H+](CC1CCC1)[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000980510093 717377131 /nfs/dbraw/zinc/37/71/31/717377131.db2.gz GCAZVMMNVYVPJY-MRXNPFEDSA-N 1 1 343.431 2.795 20 10 EFCDMO COc1ccc(N2CCCN(C(=O)[C@@H]3CC[N@H+]3C(C)(C)C)CC2)cc1 ZINC000895809449 724320224 /nfs/dbraw/zinc/32/02/24/724320224.db2.gz KMCVSJZDPCSIRI-SFHVURJKSA-N 1 1 345.487 2.607 20 10 EFCDMO NC(=O)N=Nc1ccc(C(=O)NC[C@@H]2CCCC[N@H+]2CC2CC2)cc1 ZINC001024820476 718177147 /nfs/dbraw/zinc/17/71/47/718177147.db2.gz ZQLRVLNBBKIKNF-INIZCTEOSA-N 1 1 343.431 2.843 20 10 EFCDMO CCN1CCN(c2ccc(C[NH2+][C@H](C)CCCOC)cc2F)CC1 ZINC000177972068 718230450 /nfs/dbraw/zinc/23/04/50/718230450.db2.gz IVKQCDKWRLPPGB-MRXNPFEDSA-N 1 1 337.483 2.872 20 10 EFCDMO CC(C)[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001029912803 724508252 /nfs/dbraw/zinc/50/82/52/724508252.db2.gz RRUSDUQYSVEUHM-ZDUSSCGKSA-N 1 1 331.420 2.651 20 10 EFCDMO C[N@H+](Cc1ccccc1O)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000163002924 718485970 /nfs/dbraw/zinc/48/59/70/718485970.db2.gz LOZUDKABOQSSLG-HNNXBMFYSA-N 1 1 349.228 2.813 20 10 EFCDMO C[N@@H+](Cc1ccccc1O)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000163002924 718485975 /nfs/dbraw/zinc/48/59/75/718485975.db2.gz LOZUDKABOQSSLG-HNNXBMFYSA-N 1 1 349.228 2.813 20 10 EFCDMO C[C@H]([NH2+]CC1(CS(C)(=O)=O)CCC1)c1cc(F)cc(F)c1O ZINC000840890441 718917610 /nfs/dbraw/zinc/91/76/10/718917610.db2.gz NNSIEONLNRVWAL-JTQLQIEISA-N 1 1 333.400 2.536 20 10 EFCDMO [NH3+]C[C@]12CCC[C@H]1CN(Cc1cc(Br)ccc1O)C2 ZINC000311905419 718963667 /nfs/dbraw/zinc/96/36/67/718963667.db2.gz DEMOMNQNBHIFPR-WFASDCNBSA-N 1 1 325.250 2.716 20 10 EFCDMO CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001025631452 719259369 /nfs/dbraw/zinc/25/93/69/719259369.db2.gz BJRKOEYTYSUCBM-GXTWGEPZSA-N 1 1 331.420 2.699 20 10 EFCDMO C[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)[C@@H]1CCC[N@@H+](CCF)C1 ZINC001025631697 719259658 /nfs/dbraw/zinc/25/96/58/719259658.db2.gz DEWAMEIJKZATSX-GXTWGEPZSA-N 1 1 349.410 2.649 20 10 EFCDMO CC(C)[N@H+]1CCCC2(CN(C(=O)c3ccc(N=NC(N)=O)cc3)C2)C1 ZINC000982166854 719622537 /nfs/dbraw/zinc/62/25/37/719622537.db2.gz QLDGCPPEAKTXTE-UHFFFAOYSA-N 1 1 343.431 2.795 20 10 EFCDMO C[C@@H](NC(=O)Cc1ccc(N)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261562192 719630498 /nfs/dbraw/zinc/63/04/98/719630498.db2.gz GJEOIQYJJSSLPI-APWZRJJASA-N 1 1 337.467 2.838 20 10 EFCDMO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2Cc2cc(F)cc(F)c2O)C[C@H](C)O1 ZINC000893975417 720192471 /nfs/dbraw/zinc/19/24/71/720192471.db2.gz ADOOJWYDIVOFQY-ZENOOKHLSA-N 1 1 340.414 2.744 20 10 EFCDMO C[C@@H]1CN(C[C@@H]2CCC[N@H+]2Cc2cc(F)cc(F)c2O)C[C@H](C)O1 ZINC000893975417 720192476 /nfs/dbraw/zinc/19/24/76/720192476.db2.gz ADOOJWYDIVOFQY-ZENOOKHLSA-N 1 1 340.414 2.744 20 10 EFCDMO CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000893987262 720206978 /nfs/dbraw/zinc/20/69/78/720206978.db2.gz QCEMWXOZVPITHW-GFCCVEGCSA-N 1 1 326.387 2.799 20 10 EFCDMO CCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000893987262 720206984 /nfs/dbraw/zinc/20/69/84/720206984.db2.gz QCEMWXOZVPITHW-GFCCVEGCSA-N 1 1 326.387 2.799 20 10 EFCDMO CCc1nn(C)cc1C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000183513289 720257559 /nfs/dbraw/zinc/25/75/59/720257559.db2.gz ORIABJZNBWOHTB-KRWDZBQOSA-N 1 1 329.444 2.869 20 10 EFCDMO COC(=O)[C@@H]1C[N@@H+](Cc2cc(C)ccc2O)C[C@H]1c1ccc(O)cc1 ZINC000295968487 720278610 /nfs/dbraw/zinc/27/86/10/720278610.db2.gz IJLCDOMQNAPKSO-ZWKOTPCHSA-N 1 1 341.407 2.795 20 10 EFCDMO NC(=O)N=Nc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2C/C=C\Cl)cc1 ZINC001028339812 720393615 /nfs/dbraw/zinc/39/36/15/720393615.db2.gz CXZGISKXWLHRMW-GRTSXNNNSA-N 1 1 349.822 2.796 20 10 EFCDMO NC(=O)N=Nc1ccc(C(=O)NC[C@H]2CCC[N@H+]2C/C=C\Cl)cc1 ZINC001028339812 720393618 /nfs/dbraw/zinc/39/36/18/720393618.db2.gz CXZGISKXWLHRMW-GRTSXNNNSA-N 1 1 349.822 2.796 20 10 EFCDMO C[C@H](F)CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001028345326 720531608 /nfs/dbraw/zinc/53/16/08/720531608.db2.gz ZVTHYDQZVDSDFP-SWLSCSKDSA-N 1 1 349.410 2.791 20 10 EFCDMO C[C@@H](F)CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001028345325 720531647 /nfs/dbraw/zinc/53/16/47/720531647.db2.gz ZVTHYDQZVDSDFP-IUODEOHRSA-N 1 1 349.410 2.791 20 10 EFCDMO C[NH2+]CCC1CC[NH+](Cc2cc(Br)ccc2[O-])CC1 ZINC000220341630 720874902 /nfs/dbraw/zinc/87/49/02/720874902.db2.gz KTOOBNMDPIBNKV-UHFFFAOYSA-N 1 1 327.266 2.976 20 10 EFCDMO NC(=O)CC[C@H]1CCC[N@H+](Cc2cccc(Br)c2O)C1 ZINC000092660393 721002165 /nfs/dbraw/zinc/00/21/65/721002165.db2.gz OFAQAODFWFLYQS-LLVKDONJSA-N 1 1 341.249 2.632 20 10 EFCDMO NC(=O)CC[C@H]1CCC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000092660393 721002171 /nfs/dbraw/zinc/00/21/71/721002171.db2.gz OFAQAODFWFLYQS-LLVKDONJSA-N 1 1 341.249 2.632 20 10 EFCDMO COCCc1noc(C[N@H+](Cc2ccc(N(C)C)cc2)C(C)C)n1 ZINC000729030202 724790364 /nfs/dbraw/zinc/79/03/64/724790364.db2.gz BLLFTPBRFDNRMU-UHFFFAOYSA-N 1 1 332.448 2.735 20 10 EFCDMO COCCc1noc(C[N@@H+](Cc2ccc(N(C)C)cc2)C(C)C)n1 ZINC000729030202 724790367 /nfs/dbraw/zinc/79/03/67/724790367.db2.gz BLLFTPBRFDNRMU-UHFFFAOYSA-N 1 1 332.448 2.735 20 10 EFCDMO COc1cc(C)cc(C[NH2+]C2CCN([C@@H]3CCCC[C@H]3O)CC2)c1O ZINC000894331119 722105456 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COc1ccc(C[N@H+](Cc2cnn(C)c2)CC(C)C)c(O)c1OC ZINC000894812778 722855024 /nfs/dbraw/zinc/85/50/24/722855024.db2.gz HHABRVGDAGWCDY-UHFFFAOYSA-N 1 1 333.432 2.801 20 10 EFCDMO COc1cc(C)cc(C[N@@H+](Cc2cccc(C(N)=O)c2)C2CC2)c1O ZINC000894875947 722932515 /nfs/dbraw/zinc/93/25/15/722932515.db2.gz CWNNZDNWWLEKFI-UHFFFAOYSA-N 1 1 340.423 2.973 20 10 EFCDMO O=C(NCc1ccccc1)[C@@H]1CC[N@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000895084686 723238949 /nfs/dbraw/zinc/23/89/49/723238949.db2.gz GMSGMYPONIWTRT-CQSZACIVSA-N 1 1 346.377 2.809 20 10 EFCDMO O=C(NCc1ccccc1)[C@@H]1CC[N@@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000895084686 723238952 /nfs/dbraw/zinc/23/89/52/723238952.db2.gz GMSGMYPONIWTRT-CQSZACIVSA-N 1 1 346.377 2.809 20 10 EFCDMO O=C(NCc1ccccc1)[C@@H]1CC[N@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000895084686 723238955 /nfs/dbraw/zinc/23/89/55/723238955.db2.gz GMSGMYPONIWTRT-CQSZACIVSA-N 1 1 346.377 2.809 20 10 EFCDMO Cc1cc(Br)c(O)c(C[N@@H+]2CC[C@@H](C3OCCO3)C2)c1 ZINC000896387814 723278674 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CC(C)(C)OC(=O)NC1(C[NH2+]Cc2cc(F)cc(F)c2O)CC1 ZINC000897420546 725504859 /nfs/dbraw/zinc/50/48/59/725504859.db2.gz BIFUNAXGQLRHMW-UHFFFAOYSA-N 1 1 328.359 2.817 20 10 EFCDMO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000050901234 725619211 /nfs/dbraw/zinc/61/92/11/725619211.db2.gz MOKZZFMXJZFTGN-KGLIPLIRSA-N 1 1 348.443 2.638 20 10 EFCDMO Cc1cc(C(=O)C[N@@H+]2CC[C@@H](CO)C2)c(C)n1-c1ccccc1C ZINC000174704037 725697378 /nfs/dbraw/zinc/69/73/78/725697378.db2.gz HECGLVXOWJNQCL-QGZVFWFLSA-N 1 1 326.440 2.899 20 10 EFCDMO Cc1cc(C(=O)C[N@H+]2CC[C@@H](CO)C2)c(C)n1-c1ccccc1C ZINC000174704037 725697382 /nfs/dbraw/zinc/69/73/82/725697382.db2.gz HECGLVXOWJNQCL-QGZVFWFLSA-N 1 1 326.440 2.899 20 10 EFCDMO C[C@@H]1CC[N@H+](CCNC(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000897456342 726216117 /nfs/dbraw/zinc/21/61/17/726216117.db2.gz CUZDCDAVSFHREJ-SNVBAGLBSA-N 1 1 346.258 2.840 20 10 EFCDMO C[C@@H]1CC[N@@H+](CCNC(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000897456342 726216119 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C[C@@H](C(=O)NCc1ccc(N(C)C)cc1)[N@H+]1CCc2ccccc2C1 ZINC000732257903 727014591 /nfs/dbraw/zinc/01/45/91/727014591.db2.gz IQJNLZGFCSWIMK-INIZCTEOSA-N 1 1 337.467 2.816 20 10 EFCDMO COc1cc(C)cc(C[N@@H+](C)C[C@@H]2COc3ccccc3O2)c1O ZINC000915825352 727177687 /nfs/dbraw/zinc/17/76/87/727177687.db2.gz XJPXUBWUIGVJRI-OAHLLOKOSA-N 1 1 329.396 2.981 20 10 EFCDMO COc1cc(C)cc(C[NH+]2CCN(C(=O)c3ccccc3)CC2)c1O ZINC000915826153 727181340 /nfs/dbraw/zinc/18/13/40/727181340.db2.gz NNPCHLXNLWHYDY-UHFFFAOYSA-N 1 1 340.423 2.667 20 10 EFCDMO O=C1CCCCN1[C@@H]1CCC[N@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000732796769 727233210 /nfs/dbraw/zinc/23/32/10/727233210.db2.gz HVCFMCDHOASMGS-MRXNPFEDSA-N 1 1 339.439 2.917 20 10 EFCDMO O=C(NCc1ccc(O)cc1O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000910951531 727472795 /nfs/dbraw/zinc/47/27/95/727472795.db2.gz SCGLZJDBHKFPOL-SFHVURJKSA-N 1 1 340.423 2.769 20 10 EFCDMO O=C(NCc1ccc2cccnc2c1O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC000911263596 727521530 /nfs/dbraw/zinc/52/15/30/727521530.db2.gz ZUSHNGAEJSQWBT-CVEARBPZSA-N 1 1 325.412 2.574 20 10 EFCDMO CN(C)c1ccc(CN(CC(F)(F)F)C(=O)[C@@H]2CCC[N@@H+]2C)cc1 ZINC000912105223 727654231 /nfs/dbraw/zinc/65/42/31/727654231.db2.gz BZFFKUMVXKHCTB-HNNXBMFYSA-N 1 1 343.393 2.738 20 10 EFCDMO CN(C)c1ccc(CN(CC(F)(F)F)C(=O)[C@@H]2CCC[N@H+]2C)cc1 ZINC000912105223 727654233 /nfs/dbraw/zinc/65/42/33/727654233.db2.gz BZFFKUMVXKHCTB-HNNXBMFYSA-N 1 1 343.393 2.738 20 10 EFCDMO CC(=O)c1cc(F)cc(C[N@@H+](C)CCC(=O)OC(C)(C)C)c1O ZINC000150948983 727753776 /nfs/dbraw/zinc/75/37/76/727753776.db2.gz LJLPNJWODCBHRO-UHFFFAOYSA-N 1 1 325.380 2.898 20 10 EFCDMO Cc1cc(C(=O)N2CC[N@H+](C)C[C@H]2C(C)C)c(C)n1-c1ccccn1 ZINC000151293968 727824409 /nfs/dbraw/zinc/82/44/09/727824409.db2.gz WHTCSFMKKRRPFD-SFHVURJKSA-N 1 1 340.471 2.901 20 10 EFCDMO CC[N@@H+](CCN1CCCC1=O)Cc1cc(Br)ccc1O ZINC000076118476 727998652 /nfs/dbraw/zinc/99/86/52/727998652.db2.gz XRGLPSWUZNGIEO-UHFFFAOYSA-N 1 1 341.249 2.599 20 10 EFCDMO CC[N@@H+](CC(=O)NCc1ccc(F)cc1)Cc1cccc(C)c1O ZINC000183517172 728142992 /nfs/dbraw/zinc/14/29/92/728142992.db2.gz PLXSAFARHVYBKO-UHFFFAOYSA-N 1 1 330.403 2.978 20 10 EFCDMO Cc1ccc(C(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)c(O)c1O ZINC000182421098 728154387 /nfs/dbraw/zinc/15/43/87/728154387.db2.gz CYTMPFWXILBFOT-AWEZNQCLSA-N 1 1 328.412 2.657 20 10 EFCDMO CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CCC[C@@H](CCC(N)=O)C2)c1 ZINC000170728633 728471905 /nfs/dbraw/zinc/47/19/05/728471905.db2.gz XEUZTKAXZQWOKG-ZDUSSCGKSA-N 1 1 334.460 2.873 20 10 EFCDMO COC[C@@H]1C[N@@H+](Cc2c3c(ccc2O)oc2c3CCCC2)CCO1 ZINC000172920697 728610386 /nfs/dbraw/zinc/61/03/86/728610386.db2.gz LFFOJIQWVQJICK-ZDUSSCGKSA-N 1 1 331.412 2.864 20 10 EFCDMO COCCOC[C@H]1CC[N@@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000173396555 728624831 /nfs/dbraw/zinc/62/48/31/728624831.db2.gz ZWJBGLULIHIDIO-AWEZNQCLSA-N 1 1 337.460 2.880 20 10 EFCDMO Cc1[nH+]ccn1CCCCNC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000173416810 728625507 /nfs/dbraw/zinc/62/55/07/728625507.db2.gz DTCCPUQCQRJXOP-UHFFFAOYSA-N 1 1 343.475 2.879 20 10 EFCDMO CC[N@@H+](CCCNC(C)=O)Cc1cc(Br)ccc1O ZINC000174424298 728664542 /nfs/dbraw/zinc/66/45/42/728664542.db2.gz VIMAVSPACGXJSI-UHFFFAOYSA-N 1 1 329.238 2.503 20 10 EFCDMO COC(=O)C[C@H]1CCC[N@@H+]1Cc1cccc(Br)c1O ZINC000179893183 729643968 /nfs/dbraw/zinc/64/39/68/729643968.db2.gz ZUPDMVXMJXDGBW-LLVKDONJSA-N 1 1 328.206 2.682 20 10 EFCDMO COC(=O)C[C@H]1CCC[N@H+]1Cc1cccc(Br)c1O ZINC000179893183 729643969 /nfs/dbraw/zinc/64/39/69/729643969.db2.gz ZUPDMVXMJXDGBW-LLVKDONJSA-N 1 1 328.206 2.682 20 10 EFCDMO COc1cc(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)ccc1O ZINC000179943852 729660986 /nfs/dbraw/zinc/66/09/86/729660986.db2.gz IMDVUSNGSQLTED-UHFFFAOYSA-N 1 1 342.439 2.869 20 10 EFCDMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000180696727 729765361 /nfs/dbraw/zinc/76/53/61/729765361.db2.gz XUARGFJYZVYYTL-WVOQPWCKSA-N 1 1 346.471 2.984 20 10 EFCDMO C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cc(C(=O)[O-])ccc1O ZINC001593258236 994540991 /nfs/dbraw/zinc/54/09/91/994540991.db2.gz YLEFDEALVDRLCU-HIFRSBDPSA-N 1 1 332.444 2.863 20 10 EFCDMO C[C@@H]1Cc2cc(CNC[C@H]([NH3+])c3ccc(N(C)C)cc3)ccc2O1 ZINC001576861172 1089493925 /nfs/dbraw/zinc/49/39/25/1089493925.db2.gz BUSSBAQNZISFDO-KUHUBIRLSA-N 1 1 325.456 2.866 20 10 EFCDMO CN(C)c1ccc([C@@H]([NH3+])CNCc2ccc(C(C)(C)O)cc2)cc1 ZINC001578424580 1090369691 /nfs/dbraw/zinc/36/96/91/1090369691.db2.gz NHZYQGFDOQNNIO-IBGZPJMESA-N 1 1 327.472 2.770 20 10 EFCDMO Cc1ccc(C)n1-c1ccc(C(=O)N2CC[NH2+]C[C@@H]2C(F)F)cc1 ZINC001579674410 1090658879 /nfs/dbraw/zinc/65/88/79/1090658879.db2.gz SDDHCYXVHFRFCJ-MRXNPFEDSA-N 1 1 333.382 2.773 20 10 EFCDMO Cc1cc(N(C)C)ccc1C[N@@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001591995650 1093950698 /nfs/dbraw/zinc/95/06/98/1093950698.db2.gz KSNNJRFRPVXKTI-UHFFFAOYSA-N 1 1 336.443 2.873 20 10 EFCDMO c1cc(-c2nn[nH]n2)cc2c1C[N@@H+](Cc1ccc(N3CCCC3)cc1)C2 ZINC001593560160 1094367305 /nfs/dbraw/zinc/36/73/05/1094367305.db2.gz YYDDBPVPBWJUDS-UHFFFAOYSA-N 1 1 346.438 2.983 20 10 EFCDMO c1cc(-c2nn[nH]n2)cc2c1C[N@H+](Cc1ccc(N3CCCC3)cc1)C2 ZINC001593560160 1094367309 /nfs/dbraw/zinc/36/73/09/1094367309.db2.gz YYDDBPVPBWJUDS-UHFFFAOYSA-N 1 1 346.438 2.983 20 10 EFCDMO CC[C@@H]([NH2+]Cc1nc(-c2nn[nH]n2)cs1)c1ccc(C)cc1O ZINC001604062591 1096716734 /nfs/dbraw/zinc/71/67/34/1096716734.db2.gz SHTTUICGWQDWNW-LLVKDONJSA-N 1 1 330.417 2.578 20 10 EFCDMO COC(=O)CC1([NH2+]Cc2cc(Cl)cc(C(C)=O)c2O)CCC1 ZINC000838925118 1098848846 /nfs/dbraw/zinc/84/88/46/1098848846.db2.gz UTYBDWXRXPAONM-UHFFFAOYSA-N 1 1 325.792 2.824 20 10 EFCDMO Cc1c[nH+]c(NCCc2cc(O)c(O)cc2O)c([Si](C)(C)C)c1 ZINC001168005945 1100124675 /nfs/dbraw/zinc/12/46/75/1100124675.db2.gz IMVZBCQHHPCFTE-UHFFFAOYSA-N 1 1 332.476 2.707 20 10 EFCDMO C[N@H+]1CC[C@@H](c2ccc(NCCc3cc(O)c(O)cc3O)cc2)C1 ZINC001168016867 1100532216 /nfs/dbraw/zinc/53/22/16/1100532216.db2.gz PJCSNKKOUMKGNK-OAHLLOKOSA-N 1 1 328.412 2.877 20 10 EFCDMO CC[C@@H]1[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CC[N@H+]1CCCF ZINC001087844068 1100862059 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C[C@@H]1CN(C(=O)NCc2ccc(N3CCCC3)cc2)C[C@H](C)[N@@H+]1C ZINC000296312930 241081218 /nfs/dbraw/zinc/08/12/18/241081218.db2.gz KYPXWXPZCXHOLY-IYBDPMFKSA-N 1 1 330.476 2.521 20 10 EFCDMO CN(Cc1cccs1)c1ccc(C[NH2+]Cc2nncn2C)cc1 ZINC000296571962 241091187 /nfs/dbraw/zinc/09/11/87/241091187.db2.gz WDBXRGMIGAPYBD-UHFFFAOYSA-N 1 1 327.457 2.803 20 10 EFCDMO COc1ccc(O)c([C@@H](C)[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c1 ZINC000294731144 241050558 /nfs/dbraw/zinc/05/05/58/241050558.db2.gz GHLDTLUIJMIPSM-QLFBSQMISA-N 1 1 340.423 2.743 20 10 EFCDMO COC(=O)[C@]1(C)CCC[N@@H+]1Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000295757249 241061402 /nfs/dbraw/zinc/06/14/02/241061402.db2.gz ONSSURSIATVONV-FQEVSTJZSA-N 1 1 346.471 2.829 20 10 EFCDMO Cc1n[nH]c(C)c1NC(=O)C[N@@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000298739889 241158856 /nfs/dbraw/zinc/15/88/56/241158856.db2.gz WUVBQLBRALCYJI-UHFFFAOYSA-N 1 1 341.459 2.696 20 10 EFCDMO Cc1n[nH]c(C)c1NC(=O)C[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000298739889 241158861 /nfs/dbraw/zinc/15/88/61/241158861.db2.gz WUVBQLBRALCYJI-UHFFFAOYSA-N 1 1 341.459 2.696 20 10 EFCDMO O=C(NCc1ccccc1O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000299528318 241179005 /nfs/dbraw/zinc/17/90/05/241179005.db2.gz RQQOQFZALIBDFT-SFHVURJKSA-N 1 1 339.439 2.856 20 10 EFCDMO Cc1nc(NCc2ccc(N3CCOCC3)c(F)c2)c(C)c(C)[nH+]1 ZINC000301675933 241188717 /nfs/dbraw/zinc/18/87/17/241188717.db2.gz HLUPKTBVAJOUTA-UHFFFAOYSA-N 1 1 330.407 2.990 20 10 EFCDMO COc1cc(Cl)cc(C[N@H+]2CC[C@H](Cc3cnn(C)c3)C2)c1O ZINC000363912900 242286308 /nfs/dbraw/zinc/28/63/08/242286308.db2.gz ZJMOWDJEAOWVHU-GFCCVEGCSA-N 1 1 335.835 2.852 20 10 EFCDMO C[C@H](N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000364452035 242299263 /nfs/dbraw/zinc/29/92/63/242299263.db2.gz WBCRJDMCGQRUEN-SZMVWBNQSA-N 1 1 347.478 2.940 20 10 EFCDMO C[C@H](N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000364452035 242299269 /nfs/dbraw/zinc/29/92/69/242299269.db2.gz WBCRJDMCGQRUEN-SZMVWBNQSA-N 1 1 347.478 2.940 20 10 EFCDMO Cn1cnnc1C[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000367522571 242384122 /nfs/dbraw/zinc/38/41/22/242384122.db2.gz HFSUBHMBCINNCV-UHFFFAOYSA-N 1 1 333.439 2.668 20 10 EFCDMO Oc1ccc(Br)cc1CNc1c[nH+]ccc1-n1ccnn1 ZINC000367968156 242399673 /nfs/dbraw/zinc/39/96/73/242399673.db2.gz LSIJLFBJASRCAN-UHFFFAOYSA-N 1 1 346.188 2.743 20 10 EFCDMO C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(F)c(F)c1[O-] ZINC000278648910 296123094 /nfs/dbraw/zinc/12/30/94/296123094.db2.gz SPMNZZIDMDHAQZ-CHWSQXEVSA-N 1 1 328.403 2.822 20 10 EFCDMO C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc(F)c(F)c1[O-] ZINC000278648910 296123097 /nfs/dbraw/zinc/12/30/97/296123097.db2.gz SPMNZZIDMDHAQZ-CHWSQXEVSA-N 1 1 328.403 2.822 20 10 EFCDMO COc1cccc(CNC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)c1O ZINC000173892854 533497246 /nfs/dbraw/zinc/49/72/46/533497246.db2.gz LHYZTPGCYRDFQW-HNNXBMFYSA-N 1 1 349.475 2.855 20 10 EFCDMO CCN(CC)c1ccc(CNC(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)cc1 ZINC000272768748 276341413 /nfs/dbraw/zinc/34/14/13/276341413.db2.gz PUMHBYBWKANGPD-MRXNPFEDSA-N 1 1 344.503 2.982 20 10 EFCDMO C[C@H](C[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2)CN1CCN(C)CC1 ZINC000185344228 289689762 /nfs/dbraw/zinc/68/97/62/289689762.db2.gz DJXJXAFNGUUZPE-SJORKVTESA-N 1 1 345.531 2.805 20 10 EFCDMO Cn1cc(-c2nc(C[NH2+]Cc3ccc4c(c3)CCO4)cs2)cn1 ZINC000527652838 316423477 /nfs/dbraw/zinc/42/34/77/316423477.db2.gz PLGFSZWJJABYKT-UHFFFAOYSA-N 1 1 326.425 2.768 20 10 EFCDMO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(N3CCN(C)CC3)nc2)c1 ZINC000184968431 473286730 /nfs/dbraw/zinc/28/67/30/473286730.db2.gz OPZUKHJBKZLHTB-MRXNPFEDSA-N 1 1 340.471 2.698 20 10 EFCDMO CN(CC[N@@H+](C)C1CC1)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000185169869 473351482 /nfs/dbraw/zinc/35/14/82/473351482.db2.gz SAUKLGCDLOMCEK-UHFFFAOYSA-N 1 1 330.476 2.522 20 10 EFCDMO C[C@@H]([NH2+][C@@H](C)c1ncnn1C)c1cc(Br)ccc1O ZINC000276472255 474555188 /nfs/dbraw/zinc/55/51/88/474555188.db2.gz BLNBEWYXDIYDSN-BDAKNGLRSA-N 1 1 325.210 2.695 20 10 EFCDMO Oc1cc2c(cc1C[NH+]1CCN(c3ccccc3F)CC1)OCO2 ZINC000003345442 471443347 /nfs/dbraw/zinc/44/33/47/471443347.db2.gz RVOCFMRPPYTCQT-UHFFFAOYSA-N 1 1 330.359 2.582 20 10 EFCDMO C[N@@H+](Cc1ccc2c(c1)OCCO2)Cc1cc2c(cc1O)OCO2 ZINC000008718489 471701380 /nfs/dbraw/zinc/70/13/80/471701380.db2.gz OIBPARHVNARCCP-UHFFFAOYSA-N 1 1 329.352 2.524 20 10 EFCDMO CN(C)c1ccc(CN(C)C(=O)NC[C@@H](c2ccco2)[NH+](C)C)cc1 ZINC000053525501 472016580 /nfs/dbraw/zinc/01/65/80/472016580.db2.gz DISRCHDXZHRSTJ-KRWDZBQOSA-N 1 1 344.459 2.790 20 10 EFCDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000075538636 472153702 /nfs/dbraw/zinc/15/37/02/472153702.db2.gz YJGLIBWHNGCHBW-QGZVFWFLSA-N 1 1 332.492 2.626 20 10 EFCDMO CCC[N@@H+](Cc1ccccc1O)[C@H]1CCCN(c2cnn(C)c2)C1=O ZINC000076074154 472262115 /nfs/dbraw/zinc/26/21/15/472262115.db2.gz KGQWHNJAXABYID-KRWDZBQOSA-N 1 1 342.443 2.533 20 10 EFCDMO O=C(NCc1ccco1)[C@@H]1CCC[N@H+]1Cc1c(O)cccc1Cl ZINC000128214679 472419710 /nfs/dbraw/zinc/41/97/10/472419710.db2.gz HNPYOXKEXUUOEY-HNNXBMFYSA-N 1 1 334.803 2.919 20 10 EFCDMO O=C(NCc1ccco1)[C@@H]1CCC[N@@H+]1Cc1c(O)cccc1Cl ZINC000128214679 472419714 /nfs/dbraw/zinc/41/97/14/472419714.db2.gz HNPYOXKEXUUOEY-HNNXBMFYSA-N 1 1 334.803 2.919 20 10 EFCDMO CN(C)c1ccc(C[N@@H+](C)Cc2cnc(N3CCOCC3)s2)cc1 ZINC000155183506 472518630 /nfs/dbraw/zinc/51/86/30/472518630.db2.gz QLIXWJPGYYYFFJ-UHFFFAOYSA-N 1 1 346.500 2.678 20 10 EFCDMO Cc1cccc(NC(=O)C[N@@H+](C)Cc2cc3c(cc2O)OCO3)c1C ZINC000119874730 472596214 /nfs/dbraw/zinc/59/62/14/472596214.db2.gz KWRJKTCIDDBHHH-UHFFFAOYSA-N 1 1 342.395 2.808 20 10 EFCDMO Cc1cccc(NC(=O)C[N@H+](C)Cc2cc3c(cc2O)OCO3)c1C ZINC000119874730 472596218 /nfs/dbraw/zinc/59/62/18/472596218.db2.gz KWRJKTCIDDBHHH-UHFFFAOYSA-N 1 1 342.395 2.808 20 10 EFCDMO CCCN(Cc1ccccc1O)C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000130716620 472623068 /nfs/dbraw/zinc/62/30/68/472623068.db2.gz HHBTYRNMNCCZNF-GOEBONIOSA-N 1 1 331.460 2.939 20 10 EFCDMO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000047106255 472656056 /nfs/dbraw/zinc/65/60/56/472656056.db2.gz XHXHHONGRMLXLH-RBUKOAKNSA-N 1 1 344.503 2.911 20 10 EFCDMO COCCCOCC[N@@H+](C)Cc1cc(Cl)cc(C(C)=O)c1O ZINC000091102283 472706700 /nfs/dbraw/zinc/70/67/00/472706700.db2.gz JPWWXGCINYKIPR-UHFFFAOYSA-N 1 1 329.824 2.733 20 10 EFCDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000120669377 472728530 /nfs/dbraw/zinc/72/85/30/472728530.db2.gz PULXXVFDERQMIE-LPHOPBHVSA-N 1 1 342.487 2.544 20 10 EFCDMO CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000105269198 472738474 /nfs/dbraw/zinc/73/84/74/472738474.db2.gz RULNBBKQQROLTM-OAHLLOKOSA-N 1 1 332.492 2.767 20 10 EFCDMO Cc1cc(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)c(C)n1-c1ccccn1 ZINC000105319009 472744995 /nfs/dbraw/zinc/74/49/95/472744995.db2.gz JBTMBMYGNJQRQS-INIZCTEOSA-N 1 1 338.455 2.703 20 10 EFCDMO C[NH+]1CCC(CC[NH2+]Cc2cc(Br)ccc2[O-])CC1 ZINC000105454399 472754785 /nfs/dbraw/zinc/75/47/85/472754785.db2.gz BFXDHLQRLGZFRE-UHFFFAOYSA-N 1 1 327.266 2.976 20 10 EFCDMO C[C@H](NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(N(C)C)cc1 ZINC000132857656 472759384 /nfs/dbraw/zinc/75/93/84/472759384.db2.gz KAQOJBNIGFYUIF-IRXDYDNUSA-N 1 1 331.504 2.904 20 10 EFCDMO C[C@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccc(N(C)C)cc1 ZINC000132857656 472759388 /nfs/dbraw/zinc/75/93/88/472759388.db2.gz KAQOJBNIGFYUIF-IRXDYDNUSA-N 1 1 331.504 2.904 20 10 EFCDMO C[C@@H](NC1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(N(C)C)cc1 ZINC000132858194 472759820 /nfs/dbraw/zinc/75/98/20/472759820.db2.gz KAQOJBNIGFYUIF-IAGOWNOFSA-N 1 1 331.504 2.904 20 10 EFCDMO C[C@@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccc(N(C)C)cc1 ZINC000132858194 472759828 /nfs/dbraw/zinc/75/98/28/472759828.db2.gz KAQOJBNIGFYUIF-IAGOWNOFSA-N 1 1 331.504 2.904 20 10 EFCDMO COc1ccc(OC)c2c1C[N@@H+](Cc1cc(C)ccc1O)C[C@@H]2O ZINC000121116466 472800639 /nfs/dbraw/zinc/80/06/39/472800639.db2.gz AJNNKMDKSXSESY-INIZCTEOSA-N 1 1 329.396 2.767 20 10 EFCDMO Cc1cc(C(=O)NCCC[N@H+](C)C(C)C)c(C)n1-c1ccccn1 ZINC000063738102 472809285 /nfs/dbraw/zinc/80/92/85/472809285.db2.gz RCUSKSCWFKNOOV-UHFFFAOYSA-N 1 1 328.460 2.949 20 10 EFCDMO Oc1ccc(Br)cc1C[N@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000091855641 472816197 /nfs/dbraw/zinc/81/61/97/472816197.db2.gz VUDVMLNADFPHMY-GXTWGEPZSA-N 1 1 344.274 2.861 20 10 EFCDMO COc1cc(NC(=O)C[N@H+](C)Cc2cc(C)ccc2O)cc(OC)c1 ZINC000091889445 472821509 /nfs/dbraw/zinc/82/15/09/472821509.db2.gz ZRMAXBDQBHLSGQ-UHFFFAOYSA-N 1 1 344.411 2.788 20 10 EFCDMO COc1cc(NC(=O)C[N@@H+](C)Cc2cc(C)ccc2O)cc(OC)c1 ZINC000091889445 472821513 /nfs/dbraw/zinc/82/15/13/472821513.db2.gz ZRMAXBDQBHLSGQ-UHFFFAOYSA-N 1 1 344.411 2.788 20 10 EFCDMO COC(=O)[C@H](C)Oc1ccc(C[N@@H+](C)Cc2ccccc2O)cc1 ZINC000091974653 472835304 /nfs/dbraw/zinc/83/53/04/472835304.db2.gz VXPNDLZVNJERIK-AWEZNQCLSA-N 1 1 329.396 2.965 20 10 EFCDMO COc1cccc(CNC(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1O ZINC000073662104 472848750 /nfs/dbraw/zinc/84/87/50/472848750.db2.gz MWHDBRDPUAKMDZ-GASCZTMLSA-N 1 1 349.475 2.568 20 10 EFCDMO CC[N@H+]1CCC[C@@H]1CNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000073721964 472861532 /nfs/dbraw/zinc/86/15/32/472861532.db2.gz AXLWWYCQLYJMMO-GOSISDBHSA-N 1 1 330.476 2.570 20 10 EFCDMO CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000079460481 472868245 /nfs/dbraw/zinc/86/82/45/472868245.db2.gz VVXHXOFQQAHSOP-KRWDZBQOSA-N 1 1 344.503 2.768 20 10 EFCDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000134084769 472872745 /nfs/dbraw/zinc/87/27/45/472872745.db2.gz DBRBCGVEYBKQDS-SFHVURJKSA-N 1 1 346.519 2.872 20 10 EFCDMO COCCCC(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134263580 472889188 /nfs/dbraw/zinc/88/91/88/472889188.db2.gz DKOSFPMYZXFYPI-HNNXBMFYSA-N 1 1 340.851 2.553 20 10 EFCDMO CCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2cc(OCC)ccc2O)C1 ZINC000092710469 472971361 /nfs/dbraw/zinc/97/13/61/472971361.db2.gz JFPMEAHNDBVULY-OAHLLOKOSA-N 1 1 334.460 2.919 20 10 EFCDMO CC[C@H](C)[N@@H+](C)CCNC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000066125327 473047260 /nfs/dbraw/zinc/04/72/60/473047260.db2.gz JIXRTXACRBPMGA-AWEZNQCLSA-N 1 1 328.460 2.949 20 10 EFCDMO CCOc1cccc(C[N@@H+](C)[C@H](CO)c2ccc(OC)cc2)c1O ZINC000093415493 473104578 /nfs/dbraw/zinc/10/45/78/473104578.db2.gz HWPHOEZUNVPAIZ-QGZVFWFLSA-N 1 1 331.412 2.965 20 10 EFCDMO CCS(=O)(=O)C[C@H](C)[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000093416775 473106177 /nfs/dbraw/zinc/10/61/77/473106177.db2.gz KFJBJDQEJSBHKV-INIZCTEOSA-N 1 1 338.517 2.932 20 10 EFCDMO CCS(=O)(=O)C[C@H](C)[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000093416775 473106183 /nfs/dbraw/zinc/10/61/83/473106183.db2.gz KFJBJDQEJSBHKV-INIZCTEOSA-N 1 1 338.517 2.932 20 10 EFCDMO CCN(CC)c1ccc(C[N@H+](C)[C@@H](C)[C@@H](C)S(C)(=O)=O)cc1 ZINC000093422003 473107481 /nfs/dbraw/zinc/10/74/81/473107481.db2.gz NFIPGSWVHQRSNN-LSDHHAIUSA-N 1 1 326.506 2.786 20 10 EFCDMO CCN(CC)c1ccc(C[N@@H+](C)[C@@H](C)[C@@H](C)S(C)(=O)=O)cc1 ZINC000093422003 473107489 /nfs/dbraw/zinc/10/74/89/473107489.db2.gz NFIPGSWVHQRSNN-LSDHHAIUSA-N 1 1 326.506 2.786 20 10 EFCDMO CC[C@@H](C)NC(=O)[C@@H](C)[N@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000052466700 473110090 /nfs/dbraw/zinc/11/00/90/473110090.db2.gz PGZHNOOMKPZYLX-HZPDHXFCSA-N 1 1 333.476 2.511 20 10 EFCDMO COc1ccc(N2CCC[N@H+](CC(=O)Nc3ccccc3)CC2)cc1 ZINC000052466784 473110889 /nfs/dbraw/zinc/11/08/89/473110889.db2.gz OVCNKNSLHHNGFQ-UHFFFAOYSA-N 1 1 339.439 2.846 20 10 EFCDMO COc1ccc(N2CCC[N@@H+](CC(=O)Nc3ccccc3)CC2)cc1 ZINC000052466784 473110897 /nfs/dbraw/zinc/11/08/97/473110897.db2.gz OVCNKNSLHHNGFQ-UHFFFAOYSA-N 1 1 339.439 2.846 20 10 EFCDMO CCCCNC(=O)[C@H](C)[N@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000052466717 473111626 /nfs/dbraw/zinc/11/16/26/473111626.db2.gz CWDKKMBRFZFRJS-INIZCTEOSA-N 1 1 333.476 2.512 20 10 EFCDMO COc1ccc(OC)c(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2O)c1 ZINC000109770258 473119457 /nfs/dbraw/zinc/11/94/57/473119457.db2.gz SWELMVLFCZHCTF-CYBMUJFWSA-N 1 1 344.411 2.868 20 10 EFCDMO COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@H+](C)Cc2ccccc2O)c1C ZINC000109773332 473119812 /nfs/dbraw/zinc/11/98/12/473119812.db2.gz CVOXBJMETIVGAU-CYBMUJFWSA-N 1 1 344.411 2.827 20 10 EFCDMO COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2O)c1C ZINC000109773332 473119824 /nfs/dbraw/zinc/11/98/24/473119824.db2.gz CVOXBJMETIVGAU-CYBMUJFWSA-N 1 1 344.411 2.827 20 10 EFCDMO C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@@H+](C)Cc1ccccc1O ZINC000109770860 473119844 /nfs/dbraw/zinc/11/98/44/473119844.db2.gz ZUPLWGFUAGAUME-ZDUSSCGKSA-N 1 1 342.395 2.622 20 10 EFCDMO COc1cccc(CNC(=O)[C@H](C)[N@@H+](C)Cc2ccccc2O)c1 ZINC000109769012 473120787 /nfs/dbraw/zinc/12/07/87/473120787.db2.gz NZYNNITVBBILPR-AWEZNQCLSA-N 1 1 328.412 2.538 20 10 EFCDMO NC(=O)c1cccc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC000109761730 473120849 /nfs/dbraw/zinc/12/08/49/473120849.db2.gz XDOLOKYVBHNHJD-SFHVURJKSA-N 1 1 340.423 2.672 20 10 EFCDMO O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1[O-] ZINC000093597350 473122765 /nfs/dbraw/zinc/12/27/65/473122765.db2.gz CGERMXMUELZICK-GFCCVEGCSA-N 1 1 339.823 2.872 20 10 EFCDMO O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1[O-] ZINC000093597350 473122774 /nfs/dbraw/zinc/12/27/74/473122774.db2.gz CGERMXMUELZICK-GFCCVEGCSA-N 1 1 339.823 2.872 20 10 EFCDMO CCCOc1ccc(C[NH+]2CCN(c3nc(C)ns3)CC2)c(O)c1 ZINC000093663571 473132552 /nfs/dbraw/zinc/13/25/52/473132552.db2.gz PSXPALCGBDYPTB-UHFFFAOYSA-N 1 1 348.472 2.663 20 10 EFCDMO c1cc(N2CCCCC2)ccc1C[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000093663985 473132960 /nfs/dbraw/zinc/13/29/60/473132960.db2.gz GEHMHFGKVKDWCM-HXUWFJFHSA-N 1 1 343.515 2.831 20 10 EFCDMO CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000093770189 473143279 /nfs/dbraw/zinc/14/32/79/473143279.db2.gz LNEUGLAHCQUWMU-NSHDSACASA-N 1 1 327.812 2.727 20 10 EFCDMO CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000093770189 473143284 /nfs/dbraw/zinc/14/32/84/473143284.db2.gz LNEUGLAHCQUWMU-NSHDSACASA-N 1 1 327.812 2.727 20 10 EFCDMO CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000093770189 473143288 /nfs/dbraw/zinc/14/32/88/473143288.db2.gz LNEUGLAHCQUWMU-NSHDSACASA-N 1 1 327.812 2.727 20 10 EFCDMO CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000093770189 473143293 /nfs/dbraw/zinc/14/32/93/473143293.db2.gz LNEUGLAHCQUWMU-NSHDSACASA-N 1 1 327.812 2.727 20 10 EFCDMO Oc1ccccc1C[N@@H+](Cc1cn2cccnc2n1)C[C@@H]1CCCO1 ZINC000111233006 473198084 /nfs/dbraw/zinc/19/80/84/473198084.db2.gz ZNEBVHNNGUTAGP-KRWDZBQOSA-N 1 1 338.411 2.616 20 10 EFCDMO Oc1ccccc1C[N@H+](Cc1cn2cccnc2n1)C[C@@H]1CCCO1 ZINC000111233006 473198088 /nfs/dbraw/zinc/19/80/88/473198088.db2.gz ZNEBVHNNGUTAGP-KRWDZBQOSA-N 1 1 338.411 2.616 20 10 EFCDMO CCCOc1cccc(CNC(=O)C[N@@H+](C)Cc2ccccc2O)c1 ZINC000111235814 473198490 /nfs/dbraw/zinc/19/84/90/473198490.db2.gz GBPKHTKNGSOXEF-UHFFFAOYSA-N 1 1 342.439 2.929 20 10 EFCDMO COC(=O)c1occc1C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000111232984 473198625 /nfs/dbraw/zinc/19/86/25/473198625.db2.gz LQNFFDGMRABZAW-INIZCTEOSA-N 1 1 345.395 2.953 20 10 EFCDMO COC(=O)c1occc1C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000111232984 473198630 /nfs/dbraw/zinc/19/86/30/473198630.db2.gz LQNFFDGMRABZAW-INIZCTEOSA-N 1 1 345.395 2.953 20 10 EFCDMO C[C@@H](C[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2)N1CCN(C)CC1 ZINC000185365580 473406777 /nfs/dbraw/zinc/40/67/77/473406777.db2.gz ZRRYAPXZALVFHK-HOTGVXAUSA-N 1 1 331.504 2.558 20 10 EFCDMO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(F)c(F)c1)c1ccc(F)cc1O ZINC000185374939 473409687 /nfs/dbraw/zinc/40/96/87/473409687.db2.gz CJQMENFJHGSNIJ-ZYHUDNBSSA-N 1 1 341.329 2.900 20 10 EFCDMO C[C@H]([NH2+]C[C@@H](O)COc1ccc(F)c(F)c1)c1ccc(F)cc1O ZINC000185374920 473410086 /nfs/dbraw/zinc/41/00/86/473410086.db2.gz CJQMENFJHGSNIJ-CMPLNLGQSA-N 1 1 341.329 2.900 20 10 EFCDMO CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)[C@H](C)C1 ZINC000151569342 473473345 /nfs/dbraw/zinc/47/33/45/473473345.db2.gz IAPXHQJKFCPLAC-DYESRHJHSA-N 1 1 345.531 2.715 20 10 EFCDMO CCN1CC[C@@H]([NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)[C@H](C)C1 ZINC000151569342 473473353 /nfs/dbraw/zinc/47/33/53/473473353.db2.gz IAPXHQJKFCPLAC-DYESRHJHSA-N 1 1 345.531 2.715 20 10 EFCDMO C[C@H]([NH2+]Cc1ccccc1CS(C)(=O)=O)c1ccc(F)cc1O ZINC000185649792 473478753 /nfs/dbraw/zinc/47/87/53/473478753.db2.gz XQSHPOZVZDAZCG-LBPRGKRZSA-N 1 1 337.416 2.927 20 10 EFCDMO C[C@H]1CCN(C(=O)c2cccc(O)c2O)CC[N@H+]1Cc1ccccc1 ZINC000185764191 473508925 /nfs/dbraw/zinc/50/89/25/473508925.db2.gz KGOOLEVCYNFSFH-HNNXBMFYSA-N 1 1 340.423 2.834 20 10 EFCDMO CCN(CC)c1ccc(C[NH2+][C@@H](C)CCN2CCN(C)CC2)cc1 ZINC000185881782 473537382 /nfs/dbraw/zinc/53/73/82/473537382.db2.gz SGUXPUOGSOQJNS-SFHVURJKSA-N 1 1 332.536 2.648 20 10 EFCDMO COc1ccc(N2CCC([NH2+]C[C@H]3CCN(C4CC4)C3)CC2)cc1 ZINC000152423542 473561761 /nfs/dbraw/zinc/56/17/61/473561761.db2.gz VROXWKNXEPJONJ-MRXNPFEDSA-N 1 1 329.488 2.738 20 10 EFCDMO C[C@@H]([NH2+][C@@H]1CCCN(CC(F)(F)F)C1=O)c1ccc(F)cc1O ZINC000186144221 473600298 /nfs/dbraw/zinc/60/02/98/473600298.db2.gz JXOPQAHEZNLPEZ-BXKDBHETSA-N 1 1 334.313 2.735 20 10 EFCDMO Cc1c(/C=C/C(=O)N2C[C@@H]3CCC[N@H+]3Cc3ccccc32)cnn1C ZINC000179073408 473623201 /nfs/dbraw/zinc/62/32/01/473623201.db2.gz OPBFTHVKEHZARP-BBVFFXRHSA-N 1 1 336.439 2.753 20 10 EFCDMO O=C1O[C@H](C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)CC12CCC2 ZINC000192102187 473627041 /nfs/dbraw/zinc/62/70/41/473627041.db2.gz XBYVMPLJTNNFJX-IRXDYDNUSA-N 1 1 345.439 2.859 20 10 EFCDMO COc1cccc(C(=O)N2CC[NH+](Cc3cccc(C)c3O)CC2)c1 ZINC000179718532 473713786 /nfs/dbraw/zinc/71/37/86/473713786.db2.gz GLWUZAOPXALJNY-UHFFFAOYSA-N 1 1 340.423 2.667 20 10 EFCDMO COc1ccncc1C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000287649867 473724246 /nfs/dbraw/zinc/72/42/46/473724246.db2.gz GPARDQIPWKEJPV-KRWDZBQOSA-N 1 1 328.412 2.977 20 10 EFCDMO COc1ccncc1C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000287649867 473724250 /nfs/dbraw/zinc/72/42/50/473724250.db2.gz GPARDQIPWKEJPV-KRWDZBQOSA-N 1 1 328.412 2.977 20 10 EFCDMO CC1CCC(O)(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000269316237 473771805 /nfs/dbraw/zinc/77/18/05/473771805.db2.gz CTZUHVAPUPWUJT-UHFFFAOYSA-N 1 1 332.488 2.896 20 10 EFCDMO COc1ccc(O)c(C[N@@H+](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000180067873 473790184 /nfs/dbraw/zinc/79/01/84/473790184.db2.gz SQMMTACPROJMOF-AWEZNQCLSA-N 1 1 336.432 2.842 20 10 EFCDMO COc1ccc(OC)c(C[N@H+](CCO)Cc2cc(F)ccc2O)c1 ZINC000180145478 473809645 /nfs/dbraw/zinc/80/96/45/473809645.db2.gz DWKMIXCZLAMVPW-UHFFFAOYSA-N 1 1 335.375 2.543 20 10 EFCDMO COc1ccc(OC)c(C[N@@H+](CCO)Cc2cc(F)ccc2O)c1 ZINC000180145478 473809653 /nfs/dbraw/zinc/80/96/53/473809653.db2.gz DWKMIXCZLAMVPW-UHFFFAOYSA-N 1 1 335.375 2.543 20 10 EFCDMO Cn1c(Cl)cnc1C[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000281819581 473848626 /nfs/dbraw/zinc/84/86/26/473848626.db2.gz WSYFHZCUDXXYTG-UHFFFAOYSA-N 1 1 348.878 2.572 20 10 EFCDMO CCN(Cc1ccccc1)c1ccc(C[N@H+]2C[C@@H](O)C[C@H]2CO)cc1 ZINC000187666186 473901273 /nfs/dbraw/zinc/90/12/73/473901273.db2.gz NVUHVCRYZHLXMF-SFTDATJTSA-N 1 1 340.467 2.641 20 10 EFCDMO Cc1cc([C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)nn1C ZINC000282036049 473925083 /nfs/dbraw/zinc/92/50/83/473925083.db2.gz FRXZXGCHZFKYCZ-CQSZACIVSA-N 1 1 332.423 2.555 20 10 EFCDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000180661633 473933155 /nfs/dbraw/zinc/93/31/55/473933155.db2.gz PQVOEDOGUYRMBV-GWJAVYCQSA-N 1 1 332.444 2.595 20 10 EFCDMO CCCC[N@@H+](Cc1ccccc1O)[C@@H](C)C(=O)NC(=O)NC(C)C ZINC000282322019 474021096 /nfs/dbraw/zinc/02/10/96/474021096.db2.gz ADLOMKOHUDWPRA-AWEZNQCLSA-N 1 1 335.448 2.617 20 10 EFCDMO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000274945921 474024210 /nfs/dbraw/zinc/02/42/10/474024210.db2.gz QPERLYHAIBTTCT-CJNGLKHVSA-N 1 1 332.444 2.552 20 10 EFCDMO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000274945923 474024834 /nfs/dbraw/zinc/02/48/34/474024834.db2.gz QPERLYHAIBTTCT-XJKSGUPXSA-N 1 1 332.444 2.552 20 10 EFCDMO CCCC[N@@H+](CC(=O)Nc1cc(C)nn1C)Cc1ccccc1O ZINC000282431188 474063738 /nfs/dbraw/zinc/06/37/38/474063738.db2.gz KDCXNOJYADKFNZ-UHFFFAOYSA-N 1 1 330.432 2.675 20 10 EFCDMO C[C@@H]([NH2+]Cc1ncnn1C(C)(C)C)c1ccc(N2CCOCC2)cc1 ZINC000282486796 474083893 /nfs/dbraw/zinc/08/38/93/474083893.db2.gz HLBOOXYYGWYWSG-OAHLLOKOSA-N 1 1 343.475 2.721 20 10 EFCDMO Oc1ccccc1C[NH+]1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000188664470 474158652 /nfs/dbraw/zinc/15/86/52/474158652.db2.gz CVXILQYTBNJTMV-UHFFFAOYSA-N 1 1 344.362 2.585 20 10 EFCDMO CCCOc1ccc(C[N@@H+]2C[C@H](C)[S@@](=O)[C@@H](CC)C2)c(O)c1 ZINC000289209969 474185228 /nfs/dbraw/zinc/18/52/28/474185228.db2.gz BXUKXTXYTHNMBQ-UMLSUDCWSA-N 1 1 325.474 2.912 20 10 EFCDMO CCOc1cccc(C[N@@H+](CCNC(C)=O)Cc2ccsc2)c1O ZINC000282922518 474242909 /nfs/dbraw/zinc/24/29/09/474242909.db2.gz FEGPATVJQOBNRE-UHFFFAOYSA-N 1 1 348.468 2.991 20 10 EFCDMO CC(C)NC(=O)C[N@@H+](C)Cc1ccc(OCc2ccccc2)cc1O ZINC000182960471 474295472 /nfs/dbraw/zinc/29/54/72/474295472.db2.gz FQJGDAIRYSQKFK-UHFFFAOYSA-N 1 1 342.439 2.928 20 10 EFCDMO COc1cc(O)c(C[N@@H+]2CCO[C@@H](Cc3ccccc3)C2)cc1OC ZINC000182952859 474296822 /nfs/dbraw/zinc/29/68/22/474296822.db2.gz PUGPQCYZCRUKRJ-KRWDZBQOSA-N 1 1 343.423 2.853 20 10 EFCDMO COc1cc(O)c(C[N@H+]2CCO[C@@H](Cc3ccccc3)C2)cc1OC ZINC000182952859 474296831 /nfs/dbraw/zinc/29/68/31/474296831.db2.gz PUGPQCYZCRUKRJ-KRWDZBQOSA-N 1 1 343.423 2.853 20 10 EFCDMO CCOc1cccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)c1O ZINC000289521197 474306172 /nfs/dbraw/zinc/30/61/72/474306172.db2.gz HDWLUYNPQPTXMQ-STQMWFEESA-N 1 1 333.350 2.784 20 10 EFCDMO COC(=O)c1ccc(C[N@@H+](C)Cc2cc(OC)c(OC)cc2O)cc1 ZINC000270908248 474316828 /nfs/dbraw/zinc/31/68/28/474316828.db2.gz SFEFQGGTBLKIOR-UHFFFAOYSA-N 1 1 345.395 2.828 20 10 EFCDMO CCOc1ccc(O)c(C[N@H+]2CC[C@@](C(=O)OC)(C(F)(F)F)C2)c1 ZINC000289597031 474338610 /nfs/dbraw/zinc/33/86/10/474338610.db2.gz KSAUHWBEXBTPCW-OAHLLOKOSA-N 1 1 347.333 2.718 20 10 EFCDMO C[C@H]1C[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)CCC1(F)F ZINC000289658372 474365389 /nfs/dbraw/zinc/36/53/89/474365389.db2.gz FDJOMIFDDJRHDS-AWEZNQCLSA-N 1 1 339.430 2.688 20 10 EFCDMO C[C@H]1C[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)CCC1(F)F ZINC000289658372 474365396 /nfs/dbraw/zinc/36/53/96/474365396.db2.gz FDJOMIFDDJRHDS-AWEZNQCLSA-N 1 1 339.430 2.688 20 10 EFCDMO CC(C)[N@@H+](CC(=O)NCc1cccnc1)Cc1ccc(N(C)C)cc1 ZINC000265912051 474382548 /nfs/dbraw/zinc/38/25/48/474382548.db2.gz KMEQQNKTOXJPHJ-UHFFFAOYSA-N 1 1 340.471 2.674 20 10 EFCDMO CN(C)c1ccc(C[N@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)cc1F ZINC000271070900 474395628 /nfs/dbraw/zinc/39/56/28/474395628.db2.gz LTRKAOUDYLYEML-MRXNPFEDSA-N 1 1 333.451 2.630 20 10 EFCDMO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H](C3(C)OCCO3)C2)c1O ZINC000183892278 474443270 /nfs/dbraw/zinc/44/32/70/474443270.db2.gz MRARCIJGHKGDPX-CQSZACIVSA-N 1 1 337.391 2.709 20 10 EFCDMO C[C@@H](C[N@H+](C)CC(=O)NCc1ccc(N(C)C)cc1)c1nccs1 ZINC000183948513 474450809 /nfs/dbraw/zinc/45/08/09/474450809.db2.gz MRXLMKMVFWQAGQ-AWEZNQCLSA-N 1 1 346.500 2.561 20 10 EFCDMO C[C@@H](C[N@@H+](C)CC(=O)NCc1ccc(N(C)C)cc1)c1nccs1 ZINC000183948513 474450816 /nfs/dbraw/zinc/45/08/16/474450816.db2.gz MRXLMKMVFWQAGQ-AWEZNQCLSA-N 1 1 346.500 2.561 20 10 EFCDMO CNC(=O)CC[C@H]1CCCC[N@H+]1Cc1cc(Cl)cc(OC)c1O ZINC000289854940 474457675 /nfs/dbraw/zinc/45/76/75/474457675.db2.gz VDKZMFQDUJTFRK-CQSZACIVSA-N 1 1 340.851 2.935 20 10 EFCDMO COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000289891976 474473974 /nfs/dbraw/zinc/47/39/74/474473974.db2.gz WMHZWJYHSDCWAU-OAHLLOKOSA-N 1 1 348.340 2.819 20 10 EFCDMO COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000289891976 474473979 /nfs/dbraw/zinc/47/39/79/474473979.db2.gz WMHZWJYHSDCWAU-OAHLLOKOSA-N 1 1 348.340 2.819 20 10 EFCDMO Nc1ccc(CC(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)cc1 ZINC000237903196 474499379 /nfs/dbraw/zinc/49/93/79/474499379.db2.gz AANFNOGGOFRYRO-FQEVSTJZSA-N 1 1 337.467 2.982 20 10 EFCDMO COc1c(O)c(C[N@@H+]2CCCCC[C@@H]2C[C@H](C)O)ccc1[N+](=O)[O-] ZINC000289987217 474517253 /nfs/dbraw/zinc/51/72/53/474517253.db2.gz ZZTWCBJUZKUJHN-GXTWGEPZSA-N 1 1 338.404 2.825 20 10 EFCDMO COc1c(O)c(C[N@H+]2CCCCC[C@@H]2C[C@H](C)O)ccc1[N+](=O)[O-] ZINC000289987217 474517257 /nfs/dbraw/zinc/51/72/57/474517257.db2.gz ZZTWCBJUZKUJHN-GXTWGEPZSA-N 1 1 338.404 2.825 20 10 EFCDMO CCN1CCN(c2ccc(C[NH2+][C@H](C)c3cn[nH]c3)cc2F)CC1 ZINC000283934164 474530224 /nfs/dbraw/zinc/53/02/24/474530224.db2.gz FERYOHNIJCMGJX-CQSZACIVSA-N 1 1 331.439 2.542 20 10 EFCDMO COc1cccc(C[N@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)c1O ZINC000271406856 474531282 /nfs/dbraw/zinc/53/12/82/474531282.db2.gz WTSKYNAGVRQUEP-AWEZNQCLSA-N 1 1 328.416 2.776 20 10 EFCDMO COc1cccc(C[N@@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)c1O ZINC000271406856 474531285 /nfs/dbraw/zinc/53/12/85/474531285.db2.gz WTSKYNAGVRQUEP-AWEZNQCLSA-N 1 1 328.416 2.776 20 10 EFCDMO COc1cccc(C[N@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)c1O ZINC000271406856 474531292 /nfs/dbraw/zinc/53/12/92/474531292.db2.gz WTSKYNAGVRQUEP-AWEZNQCLSA-N 1 1 328.416 2.776 20 10 EFCDMO COc1c(O)c(C[NH2+]C[C@H]2COc3ccccc32)ccc1[N+](=O)[O-] ZINC000290251473 474563065 /nfs/dbraw/zinc/56/30/65/474563065.db2.gz VTWSQYKDULZYMS-LBPRGKRZSA-N 1 1 330.340 2.575 20 10 EFCDMO C[C@H]([NH2+]C1CCN([C@H]2CCC[C@@H]2O)CC1)c1ccc(N(C)C)cc1 ZINC000271508870 474575792 /nfs/dbraw/zinc/57/57/92/474575792.db2.gz NLRXMFDDQMUSDX-YSSFQJQWSA-N 1 1 331.504 2.781 20 10 EFCDMO C[N@@H+](Cc1cc(F)ccc1O)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000190321927 474578620 /nfs/dbraw/zinc/57/86/20/474578620.db2.gz IXKGTZMOIMCTEM-HXUWFJFHSA-N 1 1 344.430 2.600 20 10 EFCDMO CN(Cc1cc(F)ccc1O)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000190321927 474578631 /nfs/dbraw/zinc/57/86/31/474578631.db2.gz IXKGTZMOIMCTEM-HXUWFJFHSA-N 1 1 344.430 2.600 20 10 EFCDMO CN(Cc1cc(F)ccc1O)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000190321927 474578638 /nfs/dbraw/zinc/57/86/38/474578638.db2.gz IXKGTZMOIMCTEM-HXUWFJFHSA-N 1 1 344.430 2.600 20 10 EFCDMO CCOCCO[C@H]1CC[N@@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000184703435 474589228 /nfs/dbraw/zinc/58/92/28/474589228.db2.gz XTKVOAKFLIIMII-AWEZNQCLSA-N 1 1 329.824 2.682 20 10 EFCDMO CCCCN(C)C[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000290992863 474589593 /nfs/dbraw/zinc/58/95/93/474589593.db2.gz ABZSFVPDBJEFKD-GFCCVEGCSA-N 1 1 325.409 2.519 20 10 EFCDMO C[C@@H]1[C@H](N2CCOCC2)CC[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000291003876 474589631 /nfs/dbraw/zinc/58/96/31/474589631.db2.gz BFDOWEKKWFSXOT-WIYYLYMNSA-N 1 1 343.515 2.972 20 10 EFCDMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NCc1ccccc1O ZINC000271796373 474591585 /nfs/dbraw/zinc/59/15/85/474591585.db2.gz HLKVSZFMIFCUBT-OAHLLOKOSA-N 1 1 327.428 2.712 20 10 EFCDMO CCOCC[C@H](O)C[N@@H+](CC)Cc1cc(Br)ccc1O ZINC000277770762 474595597 /nfs/dbraw/zinc/59/55/97/474595597.db2.gz RCHRXJNKQMTULP-AWEZNQCLSA-N 1 1 346.265 2.764 20 10 EFCDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@@H](Cc3nccn3C)C2)c1 ZINC000184730808 474596675 /nfs/dbraw/zinc/59/66/75/474596675.db2.gz KOAIGJIPJFBSRR-HNNXBMFYSA-N 1 1 329.444 2.979 20 10 EFCDMO COc1ccc(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)nc1 ZINC000271926486 474598342 /nfs/dbraw/zinc/59/83/42/474598342.db2.gz LKYOXZQRSJTGDP-GOSISDBHSA-N 1 1 328.412 2.977 20 10 EFCDMO COc1c(O)c(C[N@H+]2CCC[C@H]2c2cccn2C)ccc1[N+](=O)[O-] ZINC000278229451 474603188 /nfs/dbraw/zinc/60/31/88/474603188.db2.gz MNAOYRJVHDRKNY-AWEZNQCLSA-N 1 1 331.372 2.985 20 10 EFCDMO CCN(CC)c1ccc(CNC(=O)NCC2=CC[N@@H+](C)CC2)cc1 ZINC000272133885 474603555 /nfs/dbraw/zinc/60/35/55/474603555.db2.gz WUBBQCDTRRTPRQ-UHFFFAOYSA-N 1 1 330.476 2.594 20 10 EFCDMO COc1c(O)c(C[N@H+](C)[C@@H](CCO)c2ccccc2)ccc1[N+](=O)[O-] ZINC000278210007 474604092 /nfs/dbraw/zinc/60/40/92/474604092.db2.gz KFLKESJZZGOJBU-HNNXBMFYSA-N 1 1 346.383 2.865 20 10 EFCDMO COc1c(O)c(C[N@@H+](C)[C@@H](CCO)c2ccccc2)ccc1[N+](=O)[O-] ZINC000278210007 474604093 /nfs/dbraw/zinc/60/40/93/474604093.db2.gz KFLKESJZZGOJBU-HNNXBMFYSA-N 1 1 346.383 2.865 20 10 EFCDMO COc1c(O)c(C[NH2+]CC2(CCO)CCCCC2)ccc1[N+](=O)[O-] ZINC000278300232 474606758 /nfs/dbraw/zinc/60/67/58/474606758.db2.gz CVYKZHGTFLPKLN-UHFFFAOYSA-N 1 1 338.404 2.732 20 10 EFCDMO COc1c(O)c(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)ccc1[N+](=O)[O-] ZINC000278297819 474606869 /nfs/dbraw/zinc/60/68/69/474606869.db2.gz COEUCAFDTLJJDW-JLZZUVOBSA-N 1 1 348.399 2.746 20 10 EFCDMO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](C(C)C)N2CCN(C)CC2)c(O)c1 ZINC000284279402 474609283 /nfs/dbraw/zinc/60/92/83/474609283.db2.gz XHNXNCSDKMMCCQ-ROUUACIJSA-N 1 1 333.520 2.932 20 10 EFCDMO COc1cccc(C[N@@H+]2CCN(CC(F)(F)F)CC2(C)C)c1O ZINC000184797621 474609817 /nfs/dbraw/zinc/60/98/17/474609817.db2.gz JUFMLXXMSBRZOC-UHFFFAOYSA-N 1 1 332.366 2.859 20 10 EFCDMO COc1cccc(C[N@H+]2CCN(CC(F)(F)F)CC2(C)C)c1O ZINC000184797621 474609821 /nfs/dbraw/zinc/60/98/21/474609821.db2.gz JUFMLXXMSBRZOC-UHFFFAOYSA-N 1 1 332.366 2.859 20 10 EFCDMO C[N@H+]1CC[C@@H]2CCN(Cc3cc(Br)ccc3O)[C@@H]2C1 ZINC000272551517 474616404 /nfs/dbraw/zinc/61/64/04/474616404.db2.gz DAAGQNIRDMXMCT-BXUZGUMPSA-N 1 1 325.250 2.681 20 10 EFCDMO COc1c(O)c(C[NH2+][C@H](C)Cc2c(C)noc2C)ccc1[N+](=O)[O-] ZINC000278471474 474653162 /nfs/dbraw/zinc/65/31/62/474653162.db2.gz HHYPPOFIBZDINO-SECBINFHSA-N 1 1 335.360 2.635 20 10 EFCDMO O=C(NCc1ccccc1O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000267362882 474658864 /nfs/dbraw/zinc/65/88/64/474658864.db2.gz AIAHAVKHDCPPPD-QGZVFWFLSA-N 1 1 328.387 2.812 20 10 EFCDMO O=C(NCc1ccccc1O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000267362882 474658866 /nfs/dbraw/zinc/65/88/66/474658866.db2.gz AIAHAVKHDCPPPD-QGZVFWFLSA-N 1 1 328.387 2.812 20 10 EFCDMO COc1c(O)c(C[NH2+][C@@H]2C[C@H](OC(C)C)C2(C)C)ccc1[N+](=O)[O-] ZINC000278498000 474662726 /nfs/dbraw/zinc/66/27/26/474662726.db2.gz NARFQDYLXJZBTP-KGLIPLIRSA-N 1 1 338.404 2.991 20 10 EFCDMO COc1c(O)c(C[NH2+]CCc2ccc(Cl)nc2)ccc1[N+](=O)[O-] ZINC000278498175 474664458 /nfs/dbraw/zinc/66/44/58/474664458.db2.gz NDSKIKYEEXXELZ-UHFFFAOYSA-N 1 1 337.763 2.690 20 10 EFCDMO CCO[C@H](CC[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O)C(C)C ZINC000278505579 474667058 /nfs/dbraw/zinc/66/70/58/474667058.db2.gz OSIMGNZSJAIBHB-CQSZACIVSA-N 1 1 326.393 2.850 20 10 EFCDMO CCO[C@@H](CC[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O)C(C)C ZINC000278505578 474668180 /nfs/dbraw/zinc/66/81/80/474668180.db2.gz OSIMGNZSJAIBHB-AWEZNQCLSA-N 1 1 326.393 2.850 20 10 EFCDMO COc1c(O)c(C[NH2+][C@H]2CCO[C@@H](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000278539811 474689209 /nfs/dbraw/zinc/68/92/09/474689209.db2.gz WYNPRGIIBAYVAR-GXTWGEPZSA-N 1 1 338.404 2.992 20 10 EFCDMO C[C@@H]([NH2+]Cc1nnc2n1CCC2)c1cc(Br)ccc1O ZINC000273082848 474707365 /nfs/dbraw/zinc/70/73/65/474707365.db2.gz MQUPPPIECVZPEP-SECBINFHSA-N 1 1 337.221 2.543 20 10 EFCDMO COCCn1c(C)c(C)c2cc(C(=O)N3CC[N@H+](C)C[C@@H]3C)ccc21 ZINC000344384298 474708620 /nfs/dbraw/zinc/70/86/20/474708620.db2.gz RYCUYZVCEKLIAU-AWEZNQCLSA-N 1 1 343.471 2.681 20 10 EFCDMO COCCn1c(C)c(C)c2cc(C(=O)N3CC[N@@H+](C)C[C@@H]3C)ccc21 ZINC000344384298 474708628 /nfs/dbraw/zinc/70/86/28/474708628.db2.gz RYCUYZVCEKLIAU-AWEZNQCLSA-N 1 1 343.471 2.681 20 10 EFCDMO C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(F)c(F)c1[O-] ZINC000278648917 474753964 /nfs/dbraw/zinc/75/39/64/474753964.db2.gz SPMNZZIDMDHAQZ-STQMWFEESA-N 1 1 328.403 2.822 20 10 EFCDMO C[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(F)c(F)c1[O-] ZINC000278648917 474753971 /nfs/dbraw/zinc/75/39/71/474753971.db2.gz SPMNZZIDMDHAQZ-STQMWFEESA-N 1 1 328.403 2.822 20 10 EFCDMO C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(F)c(F)c1[O-] ZINC000278648914 474754012 /nfs/dbraw/zinc/75/40/12/474754012.db2.gz SPMNZZIDMDHAQZ-QWHCGFSZSA-N 1 1 328.403 2.822 20 10 EFCDMO C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(F)c(F)c1[O-] ZINC000278648914 474754017 /nfs/dbraw/zinc/75/40/17/474754017.db2.gz SPMNZZIDMDHAQZ-QWHCGFSZSA-N 1 1 328.403 2.822 20 10 EFCDMO CCCOc1ccc(C[N@H+]2CCCC[C@@H](S(C)(=O)=O)C2)c(O)c1 ZINC000278674427 474769484 /nfs/dbraw/zinc/76/94/84/474769484.db2.gz LTZWCTCYSIVLAU-MRXNPFEDSA-N 1 1 341.473 2.580 20 10 EFCDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000268143344 474825498 /nfs/dbraw/zinc/82/54/98/474825498.db2.gz KXZLKAFZKCVQDX-FZKQIMNGSA-N 1 1 343.471 2.553 20 10 EFCDMO Cc1cc(C[N@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)ccc1N(C)C ZINC000293133524 474832605 /nfs/dbraw/zinc/83/26/05/474832605.db2.gz PWXFWMDBVYMUQZ-QGZVFWFLSA-N 1 1 339.487 2.978 20 10 EFCDMO COc1c(O)c(C[NH2+]CCc2c(F)cccc2F)ccc1[N+](=O)[O-] ZINC000278884661 474894201 /nfs/dbraw/zinc/89/42/01/474894201.db2.gz OQIWKXTWSZAKAS-UHFFFAOYSA-N 1 1 338.310 2.920 20 10 EFCDMO C[C@@H]([NH2+]Cc1nnc2n1CCC2)c1ccc(Br)cc1O ZINC000273441262 474899899 /nfs/dbraw/zinc/89/98/99/474899899.db2.gz YMBYHQYJTXVWRA-SECBINFHSA-N 1 1 337.221 2.543 20 10 EFCDMO CC(C)[N@@H+](CC(=O)N1CCCCCC1)Cc1cc2c(cc1O)OCO2 ZINC000285125573 474900597 /nfs/dbraw/zinc/90/05/97/474900597.db2.gz MYSJLPGUVMFPBS-UHFFFAOYSA-N 1 1 348.443 2.734 20 10 EFCDMO COc1c(O)c(C[NH2+]CCCCNc2ccccn2)ccc1[N+](=O)[O-] ZINC000278898937 474901153 /nfs/dbraw/zinc/90/11/53/474901153.db2.gz QRGCPJCANAAOHE-UHFFFAOYSA-N 1 1 346.387 2.686 20 10 EFCDMO COc1c(O)c(C[NH2+][C@H]2CCc3c2cccc3O)ccc1[N+](=O)[O-] ZINC000278897418 474901688 /nfs/dbraw/zinc/90/16/88/474901688.db2.gz QQPYVQKRVLMRBZ-ZDUSSCGKSA-N 1 1 330.340 2.792 20 10 EFCDMO COc1c(O)c(C[NH2+]CCc2cc(F)cc(F)c2)ccc1[N+](=O)[O-] ZINC000278917453 474914861 /nfs/dbraw/zinc/91/48/61/474914861.db2.gz UHLBREVNKBEISF-UHFFFAOYSA-N 1 1 338.310 2.920 20 10 EFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H](CO)Cc2ccc(F)cc2)c1 ZINC000273500894 474932053 /nfs/dbraw/zinc/93/20/53/474932053.db2.gz QAWVTXHORCUFMC-BLLLJJGKSA-N 1 1 347.386 2.572 20 10 EFCDMO COc1c(O)c(C[NH2+]CCCNc2ccccc2)ccc1[N+](=O)[O-] ZINC000278954590 474940457 /nfs/dbraw/zinc/94/04/57/474940457.db2.gz ZZIFYCQPSQZKCM-UHFFFAOYSA-N 1 1 331.372 2.901 20 10 EFCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@@](C)(O)c2ccc(F)cc2)c1 ZINC000273525988 474944189 /nfs/dbraw/zinc/94/41/89/474944189.db2.gz VGRAXNJBCDPHNJ-CWTRNNRKSA-N 1 1 347.386 2.876 20 10 EFCDMO CN1CC[C@H]([N@@H+](C)Cc2ccc(OCc3ccccc3)cc2O)C1=O ZINC000273547584 474957733 /nfs/dbraw/zinc/95/77/33/474957733.db2.gz URIMCIHRJADJAD-SFHVURJKSA-N 1 1 340.423 2.634 20 10 EFCDMO CCCOc1ccc(C[N@H+]2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)c(O)c1 ZINC000279089087 474959064 /nfs/dbraw/zinc/95/90/64/474959064.db2.gz ABJRLGWCYXVWED-QMTMVMCOSA-N 1 1 335.444 2.949 20 10 EFCDMO CCCOc1ccc(C[N@H+]2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)c(O)c1 ZINC000279089082 474959468 /nfs/dbraw/zinc/95/94/68/474959468.db2.gz ABJRLGWCYXVWED-DOXZYTNZSA-N 1 1 335.444 2.949 20 10 EFCDMO CCN1CCN(C[C@@H](C)C[NH2+][C@H](C)c2ccc(C)c(C)c2O)CC1 ZINC000273563859 474964762 /nfs/dbraw/zinc/96/47/62/474964762.db2.gz IXVIIHVLBBVLGH-MAUKXSAKSA-N 1 1 333.520 2.933 20 10 EFCDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cccc(O)c1O ZINC000279425115 474975001 /nfs/dbraw/zinc/97/50/01/474975001.db2.gz YQYMDIZTGFTUNE-YOEHRIQHSA-N 1 1 340.423 2.738 20 10 EFCDMO C[C@H](C[S@](C)=O)[N@@H+](C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000279556682 474980098 /nfs/dbraw/zinc/98/00/98/474980098.db2.gz AZRMLBKHSYYUEL-XFNZEKPQSA-N 1 1 336.423 2.970 20 10 EFCDMO COc1ccc(O)c(CN2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000279611237 474982211 /nfs/dbraw/zinc/98/22/11/474982211.db2.gz FSHFMLJVZODTCY-KDURUIRLSA-N 1 1 338.451 2.965 20 10 EFCDMO COc1ccc(O)c(CN2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000279611237 474982223 /nfs/dbraw/zinc/98/22/23/474982223.db2.gz FSHFMLJVZODTCY-KDURUIRLSA-N 1 1 338.451 2.965 20 10 EFCDMO COc1ccc(O)c(C[N@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)c1 ZINC000279611237 474982231 /nfs/dbraw/zinc/98/22/31/474982231.db2.gz FSHFMLJVZODTCY-KDURUIRLSA-N 1 1 338.451 2.965 20 10 EFCDMO COc1ccc(O)c(C[N@@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)c1 ZINC000279611237 474982241 /nfs/dbraw/zinc/98/22/41/474982241.db2.gz FSHFMLJVZODTCY-KDURUIRLSA-N 1 1 338.451 2.965 20 10 EFCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])c1 ZINC000273602650 474984464 /nfs/dbraw/zinc/98/44/64/474984464.db2.gz SGIUPZVVSASJOE-GFCCVEGCSA-N 1 1 344.367 2.980 20 10 EFCDMO COc1cccc(C[N@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)c1O ZINC000279688144 474986575 /nfs/dbraw/zinc/98/65/75/474986575.db2.gz PMQXVJLHVMKTTB-KDURUIRLSA-N 1 1 338.451 2.965 20 10 EFCDMO COc1cccc(C[N@@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)c1O ZINC000279688144 474986584 /nfs/dbraw/zinc/98/65/84/474986584.db2.gz PMQXVJLHVMKTTB-KDURUIRLSA-N 1 1 338.451 2.965 20 10 EFCDMO COc1cccc(CN2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1O ZINC000279688144 474986595 /nfs/dbraw/zinc/98/65/95/474986595.db2.gz PMQXVJLHVMKTTB-KDURUIRLSA-N 1 1 338.451 2.965 20 10 EFCDMO COc1cccc(CN2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c1O ZINC000279688144 474986605 /nfs/dbraw/zinc/98/66/05/474986605.db2.gz PMQXVJLHVMKTTB-KDURUIRLSA-N 1 1 338.451 2.965 20 10 EFCDMO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)c1 ZINC000273608544 474988249 /nfs/dbraw/zinc/98/82/49/474988249.db2.gz UYUIYBOGKOPDAH-QWHCGFSZSA-N 1 1 331.416 2.671 20 10 EFCDMO CCOC(=O)c1c[nH+]ccc1N1CCN(c2ccc(OC)cc2)CC1 ZINC000280035372 475005727 /nfs/dbraw/zinc/00/57/27/475005727.db2.gz LNSZPHMFYOSHRA-UHFFFAOYSA-N 1 1 341.411 2.594 20 10 EFCDMO COc1cc(Cl)cc(C[N@@H+]2C[C@H](C)OC3(CCOCC3)C2)c1O ZINC000280465604 475027294 /nfs/dbraw/zinc/02/72/94/475027294.db2.gz MSANDCGRQDXZQU-LBPRGKRZSA-N 1 1 341.835 2.824 20 10 EFCDMO COc1cc(Cl)cc(C[N@H+]2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)c1O ZINC000280468051 475027604 /nfs/dbraw/zinc/02/76/04/475027604.db2.gz MWCOMKGABZNXCW-PRXAMGSTSA-N 1 1 341.835 2.823 20 10 EFCDMO C[C@H]([NH2+]CCn1cc(Br)cn1)c1ccc(F)cc1O ZINC000285550267 475029297 /nfs/dbraw/zinc/02/92/97/475029297.db2.gz DZTSHRVBSQHBSH-VIFPVBQESA-N 1 1 328.185 2.841 20 10 EFCDMO CCOCc1cc(C[NH2+][C@@H](c2nncn2C)C(C)C)ccc1OC ZINC000285610594 475032886 /nfs/dbraw/zinc/03/28/86/475032886.db2.gz VTVVINPFDVSZII-QGZVFWFLSA-N 1 1 332.448 2.847 20 10 EFCDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)c1O ZINC000273734751 475034283 /nfs/dbraw/zinc/03/42/83/475034283.db2.gz KZNRVPAEQUEVRK-ZWNOBZJWSA-N 1 1 339.741 2.942 20 10 EFCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCC(=O)N[C@H]2C(C)(C)C)c1 ZINC000285833747 475043167 /nfs/dbraw/zinc/04/31/67/475043167.db2.gz XVSABHQLYFYXRT-JDSLSITLSA-N 1 1 348.443 2.523 20 10 EFCDMO CCN1CCN(c2ccc(C[NH2+][C@@H]3CCOC3(C)C)cc2F)CC1 ZINC000293644009 475044919 /nfs/dbraw/zinc/04/49/19/475044919.db2.gz IHMCIWNBBDPKDE-GOSISDBHSA-N 1 1 335.467 2.625 20 10 EFCDMO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000268834022 475046779 /nfs/dbraw/zinc/04/67/79/475046779.db2.gz LEPAYBDBLBRCQE-SPYBWZPUSA-N 1 1 349.494 2.605 20 10 EFCDMO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000268834022 475046787 /nfs/dbraw/zinc/04/67/87/475046787.db2.gz LEPAYBDBLBRCQE-SPYBWZPUSA-N 1 1 349.494 2.605 20 10 EFCDMO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000268834022 475046792 /nfs/dbraw/zinc/04/67/92/475046792.db2.gz LEPAYBDBLBRCQE-SPYBWZPUSA-N 1 1 349.494 2.605 20 10 EFCDMO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](CS(C)(=O)=O)C2)cc1 ZINC000293835644 475054437 /nfs/dbraw/zinc/05/44/37/475054437.db2.gz GVDLPIYUZHQQFR-QGZVFWFLSA-N 1 1 338.517 2.789 20 10 EFCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@@H](CS(C)(=O)=O)C2)cc1 ZINC000293835644 475054444 /nfs/dbraw/zinc/05/44/44/475054444.db2.gz GVDLPIYUZHQQFR-QGZVFWFLSA-N 1 1 338.517 2.789 20 10 EFCDMO C[C@H]([NH2+]C[C@H](CO)[C@@H]1CCOC1)c1cc(Cl)c(Cl)cc1O ZINC000280912749 475055388 /nfs/dbraw/zinc/05/53/88/475055388.db2.gz QOJZJCHMZQPOTM-HBNTYKKESA-N 1 1 334.243 2.995 20 10 EFCDMO CCc1nc(N(C)Cc2ccc(N3CCOCC3)cc2)cc(C)[nH+]1 ZINC000286227100 475056806 /nfs/dbraw/zinc/05/68/06/475056806.db2.gz TXQYTSMFEBLTSH-UHFFFAOYSA-N 1 1 326.444 2.820 20 10 EFCDMO CNC(=O)CC[C@H]1CCCC[N@H+]1Cc1cc(F)cc(C(C)=O)c1O ZINC000286389665 475063313 /nfs/dbraw/zinc/06/33/13/475063313.db2.gz IWINXQZJMRPMGK-OAHLLOKOSA-N 1 1 336.407 2.615 20 10 EFCDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@H](c3nnc(C)[nH]3)C2)c1O ZINC000273815532 475064966 /nfs/dbraw/zinc/06/49/66/475064966.db2.gz ZQDGRQBKHYKGJA-NSHDSACASA-N 1 1 336.823 2.860 20 10 EFCDMO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](c3nc(C)n[nH]3)C2)c1O ZINC000273815532 475064971 /nfs/dbraw/zinc/06/49/71/475064971.db2.gz ZQDGRQBKHYKGJA-NSHDSACASA-N 1 1 336.823 2.860 20 10 EFCDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@H](c3nc(C)n[nH]3)C2)c1O ZINC000273815532 475064979 /nfs/dbraw/zinc/06/49/79/475064979.db2.gz ZQDGRQBKHYKGJA-NSHDSACASA-N 1 1 336.823 2.860 20 10 EFCDMO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](c3n[nH]c(C)n3)C2)c1O ZINC000273815532 475064983 /nfs/dbraw/zinc/06/49/83/475064983.db2.gz ZQDGRQBKHYKGJA-NSHDSACASA-N 1 1 336.823 2.860 20 10 EFCDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@H](c3n[nH]c(C)n3)C2)c1O ZINC000273815532 475064988 /nfs/dbraw/zinc/06/49/88/475064988.db2.gz ZQDGRQBKHYKGJA-NSHDSACASA-N 1 1 336.823 2.860 20 10 EFCDMO CCOc1cccc(C[NH2+]Cc2ncc(C(F)(F)F)cn2)c1O ZINC000294954463 475093797 /nfs/dbraw/zinc/09/37/97/475093797.db2.gz HWLQQDTYMICVIM-UHFFFAOYSA-N 1 1 327.306 2.890 20 10 EFCDMO COC[C@@]1(C(=O)OC)CC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000295006874 475096559 /nfs/dbraw/zinc/09/65/59/475096559.db2.gz JCDWJBFLNPLNLX-LJQANCHMSA-N 1 1 329.396 2.557 20 10 EFCDMO COC1CCN(c2ccc(C[N@@H+](C)C[C@@H]3CCC[C@@H]3O)cc2)CC1 ZINC000295028527 475098056 /nfs/dbraw/zinc/09/80/56/475098056.db2.gz VJSRWTWGHQJJCC-PXNSSMCTSA-N 1 1 332.488 2.895 20 10 EFCDMO Cc1ccc(O)c(C[N@@H+]2C[C@H](c3cnn(C)c3)C3(C2)CCOCC3)c1 ZINC000295058836 475099833 /nfs/dbraw/zinc/09/98/33/475099833.db2.gz QDEROWMTHQYHKE-GOSISDBHSA-N 1 1 341.455 2.830 20 10 EFCDMO C[C@@H]1C[C@@H](NC(=O)c2c(F)ccc(O)c2O)C[N@H+]1Cc1ccccc1 ZINC000295164214 475109606 /nfs/dbraw/zinc/10/96/06/475109606.db2.gz QWKIQPUWHNRRSW-TZMCWYRMSA-N 1 1 344.386 2.630 20 10 EFCDMO C[C@H]([NH2+]CC1(S(C)(=O)=O)CC1)c1cc(Cl)c(Cl)cc1O ZINC000281230281 475126719 /nfs/dbraw/zinc/12/67/19/475126719.db2.gz UQSNEBVLNOLFGQ-QMMMGPOBSA-N 1 1 338.256 2.927 20 10 EFCDMO COc1c(O)c(C[N@@H+]2CCOC[C@H](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000292701290 475158341 /nfs/dbraw/zinc/15/83/41/475158341.db2.gz CJEWPMGCMJUSEY-CQSZACIVSA-N 1 1 336.388 2.558 20 10 EFCDMO COc1c(O)c(C[N@H+]2CCOC[C@H](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000292701290 475158348 /nfs/dbraw/zinc/15/83/48/475158348.db2.gz CJEWPMGCMJUSEY-CQSZACIVSA-N 1 1 336.388 2.558 20 10 EFCDMO CC[N@H+]1CCC[C@H]1CNC(=O)NCc1c(C)c2ccccc2n1C ZINC000349461836 475974112 /nfs/dbraw/zinc/97/41/12/475974112.db2.gz OQHADHJRFPWPCQ-HNNXBMFYSA-N 1 1 328.460 2.770 20 10 EFCDMO Cc1c2ccccc2n(C)c1CNC(=O)N[C@H]1CCC[N@@H+](C)[C@H]1C ZINC000349895451 476016926 /nfs/dbraw/zinc/01/69/26/476016926.db2.gz PMGUBHHCAZNHAR-HOCLYGCPSA-N 1 1 328.460 2.769 20 10 EFCDMO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000368973033 476380822 /nfs/dbraw/zinc/38/08/22/476380822.db2.gz IJONNXROCSMBMM-QRQLOZEOSA-N 1 1 327.472 2.763 20 10 EFCDMO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000368973032 476381650 /nfs/dbraw/zinc/38/16/50/476381650.db2.gz IJONNXROCSMBMM-NEWSRXKRSA-N 1 1 327.472 2.763 20 10 EFCDMO CN(C)c1ccc(C[N@H+]2CCC[C@H]2C[C@H](O)c2cnn(C)c2)cc1 ZINC000373166913 476382226 /nfs/dbraw/zinc/38/22/26/476382226.db2.gz OZSBGGDHQKYWIO-OALUTQOASA-N 1 1 328.460 2.574 20 10 EFCDMO COc1cc(O)c(C[N@H+]2CCC[C@H](c3nccn3C)C2)cc1OC ZINC000373225242 476386465 /nfs/dbraw/zinc/38/64/65/476386465.db2.gz DKYQRBMHQOZEDI-ZDUSSCGKSA-N 1 1 331.416 2.523 20 10 EFCDMO C[C@H]([NH2+][C@H]1CCN(c2ccccc2C(N)=O)C1)c1ccc(F)cc1O ZINC000373255053 476388615 /nfs/dbraw/zinc/38/86/15/476388615.db2.gz IBGPRTVUVMFTSS-JSGCOSHPSA-N 1 1 343.402 2.560 20 10 EFCDMO O=C(NCc1ccc(N2CCCC2)cc1)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000369581630 476427105 /nfs/dbraw/zinc/42/71/05/476427105.db2.gz FJEQQUVLNJDOAN-IBGZPJMESA-N 1 1 342.487 2.667 20 10 EFCDMO C[C@@H]1C[C@H](N2CCCC2)C[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000377690319 476522616 /nfs/dbraw/zinc/52/26/16/476522616.db2.gz FZQFDCJVAJBLOL-XLIONFOSSA-N 1 1 329.488 2.582 20 10 EFCDMO C[C@@H]1C[C@H](N2CCCC2)C[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000377690319 476522620 /nfs/dbraw/zinc/52/26/20/476522620.db2.gz FZQFDCJVAJBLOL-XLIONFOSSA-N 1 1 329.488 2.582 20 10 EFCDMO COc1c(O)c(C[NH2+][C@@H]2CN(C)Cc3ccccc32)ccc1[N+](=O)[O-] ZINC000364670937 476541165 /nfs/dbraw/zinc/54/11/65/476541165.db2.gz GENMGTDWHOCCSS-OAHLLOKOSA-N 1 1 343.383 2.585 20 10 EFCDMO Cc1cccc(C[N@H+]2CCCC[C@H]2COC(=O)N[C@@H]2CCOC2)c1O ZINC000377720506 476545068 /nfs/dbraw/zinc/54/50/68/476545068.db2.gz LTYRYFUWTJWCBS-SJORKVTESA-N 1 1 348.443 2.570 20 10 EFCDMO C[C@H]([NH2+][C@H]1CCc2cn[nH]c2C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000378183490 476686004 /nfs/dbraw/zinc/68/60/04/476686004.db2.gz NWXQJGMEZGKNGI-BBRMVZONSA-N 1 1 344.434 2.594 20 10 EFCDMO C[C@@H]([NH2+][C@@H]1CCc2cn[nH]c2C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000378183494 476686124 /nfs/dbraw/zinc/68/61/24/476686124.db2.gz NWXQJGMEZGKNGI-CZUORRHYSA-N 1 1 344.434 2.594 20 10 EFCDMO C[C@H]([NH2+][C@@H]1CCc2cn[nH]c2C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000378183496 476686314 /nfs/dbraw/zinc/68/63/14/476686314.db2.gz NWXQJGMEZGKNGI-XJKSGUPXSA-N 1 1 344.434 2.594 20 10 EFCDMO COc1cc(Br)cc(C[N@H+]2CCOC[C@@H](C)C2)c1O ZINC000370187091 476688777 /nfs/dbraw/zinc/68/87/77/476688777.db2.gz VUEHXEPCHZPQJE-JTQLQIEISA-N 1 1 330.222 2.632 20 10 EFCDMO COC(=O)C(C)(C)CC[N@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000377075618 477629468 /nfs/dbraw/zinc/62/94/68/477629468.db2.gz CHLWPZHNPYKWTM-UHFFFAOYSA-N 1 1 334.460 2.797 20 10 EFCDMO COc1cc(Cl)cc(C[N@H+]2CCOC3(CCOCC3)CC2)c1O ZINC000372128500 477652719 /nfs/dbraw/zinc/65/27/19/477652719.db2.gz MSELTQFOJFDUFH-UHFFFAOYSA-N 1 1 341.835 2.826 20 10 EFCDMO OC[C@H]1[C@@H]2C[N@@H+](Cc3ccc4c(c3)CCN4Cc3ccccc3)C[C@H]12 ZINC000367782673 477688841 /nfs/dbraw/zinc/68/88/41/477688841.db2.gz UAOGMCHQGIBQIY-AERCQKQUSA-N 1 1 334.463 2.919 20 10 EFCDMO Clc1cnn([C@@H]2CC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C2)c1 ZINC000368117041 477786423 /nfs/dbraw/zinc/78/64/23/477786423.db2.gz WEAMBVPRZVGLAZ-GOSISDBHSA-N 1 1 346.862 2.820 20 10 EFCDMO CCOc1cccc(C[N@H+]2CCC[C@H](N3CCCCC3=O)C2)c1O ZINC000372413702 477795472 /nfs/dbraw/zinc/79/54/72/477795472.db2.gz PKZHRESKWIQINS-INIZCTEOSA-N 1 1 332.444 2.768 20 10 EFCDMO Cc1c2ccccc2n(C)c1CNC(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000472221619 478012613 /nfs/dbraw/zinc/01/26/13/478012613.db2.gz IARCNDSIKAQKIX-YOEHRIQHSA-N 1 1 342.487 2.968 20 10 EFCDMO Cc1c2ccccc2n(C)c1CNC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000472221616 478012636 /nfs/dbraw/zinc/01/26/36/478012636.db2.gz IARCNDSIKAQKIX-RHSMWYFYSA-N 1 1 342.487 2.968 20 10 EFCDMO Cc1c2ccccc2n(C)c1CNC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000472242861 478013684 /nfs/dbraw/zinc/01/36/84/478013684.db2.gz PYQJZKUKSSPLLQ-MRXNPFEDSA-N 1 1 342.487 2.970 20 10 EFCDMO COCCc1noc(CC2CC[NH+](Cc3cccc(F)c3O)CC2)n1 ZINC000529642859 479233649 /nfs/dbraw/zinc/23/36/49/479233649.db2.gz ONTRAUHLYZRPDL-UHFFFAOYSA-N 1 1 349.406 2.558 20 10 EFCDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000180934989 533793845 /nfs/dbraw/zinc/79/38/45/533793845.db2.gz GMOVUHHYRNNGTM-JNIGEABNSA-N 1 1 346.471 2.985 20 10 EFCDMO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H](c3nc(C)no3)C2)c1O ZINC000177263063 527210829 /nfs/dbraw/zinc/21/08/29/527210829.db2.gz WQKUCCJWPLNXBE-LBPRGKRZSA-N 1 1 333.363 2.805 20 10 EFCDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000177854946 527810215 /nfs/dbraw/zinc/81/02/15/527810215.db2.gz PONSFZBCJXJPFF-SFHVURJKSA-N 1 1 344.503 2.770 20 10 EFCDMO CCC[N@@H+](Cc1nn2c(nc(C)cc2=O)s1)Cc1ccccc1O ZINC000170779294 528155300 /nfs/dbraw/zinc/15/53/00/528155300.db2.gz VVZMQPQYAIVXIF-UHFFFAOYSA-N 1 1 344.440 2.577 20 10 EFCDMO CCOc1ccc(O)c(C[N@@H+]2CCSC[C@H]2c2cnn(C)c2)c1 ZINC000191747919 535752296 /nfs/dbraw/zinc/75/22/96/535752296.db2.gz TWJLEOHOGJYYRO-INIZCTEOSA-N 1 1 333.457 2.815 20 10 EFCDMO CCOc1ccc(O)c(C[N@H+]2CCSC[C@H]2c2cnn(C)c2)c1 ZINC000191747919 535752300 /nfs/dbraw/zinc/75/23/00/535752300.db2.gz TWJLEOHOGJYYRO-INIZCTEOSA-N 1 1 333.457 2.815 20 10 EFCDMO COc1c(O)c(C[N@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000290886614 536861584 /nfs/dbraw/zinc/86/15/84/536861584.db2.gz LBXYCRBHMVMBNT-RHSMWYFYSA-N 1 1 348.399 2.843 20 10 EFCDMO COc1c(O)c(C[NH+]2CCC(OCC3CC3)CC2)ccc1[N+](=O)[O-] ZINC000365805447 536862549 /nfs/dbraw/zinc/86/25/49/536862549.db2.gz KIVJTUFNQPDSEL-UHFFFAOYSA-N 1 1 336.388 2.700 20 10 EFCDMO O=C(NCc1ccc(N2CCCC2)cc1)c1cnn(-c2cc[nH+]cc2)c1 ZINC000294662716 545736632 /nfs/dbraw/zinc/73/66/32/545736632.db2.gz ZGNZUMUBKPESLB-UHFFFAOYSA-N 1 1 347.422 2.798 20 10 EFCDMO C[C@@H](c1ccccc1)[N@H+](Cc1nc(=O)n(C)[nH]1)Cc1ccccc1O ZINC000754082723 575387325 /nfs/dbraw/zinc/38/73/25/575387325.db2.gz QMGPAIUQFWRKHX-AWEZNQCLSA-N 1 1 338.411 2.577 20 10 EFCDMO C[C@@H](c1ccccc1)[N@@H+](Cc1nc(=O)n(C)[nH]1)Cc1ccccc1O ZINC000754082723 575387326 /nfs/dbraw/zinc/38/73/26/575387326.db2.gz QMGPAIUQFWRKHX-AWEZNQCLSA-N 1 1 338.411 2.577 20 10 EFCDMO CCN1CCN(c2ccc(C[NH2+]CC(C)(C)COC)cc2F)CC1 ZINC000755193093 575559033 /nfs/dbraw/zinc/55/90/33/575559033.db2.gz BYEXAUKDKXZTFI-UHFFFAOYSA-N 1 1 337.483 2.730 20 10 EFCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCOc2ccc(OC)cc2)c1 ZINC000756360367 575722878 /nfs/dbraw/zinc/72/28/78/575722878.db2.gz SACAKRVIMPKXIU-CYBMUJFWSA-N 1 1 345.395 2.917 20 10 EFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@H]2Cc3ccccc3O2)c1 ZINC000756378148 575726442 /nfs/dbraw/zinc/72/64/42/575726442.db2.gz AVZYDXCBWZKTDQ-SWLSCSKDSA-N 1 1 327.380 2.833 20 10 EFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCN(C)c2ccccc2)c1 ZINC000756379906 575726952 /nfs/dbraw/zinc/72/69/52/575726952.db2.gz DCOHBNNASICRJJ-AWEZNQCLSA-N 1 1 328.412 2.966 20 10 EFCDMO C[C@@H]([NH2+]Cc1cccnc1N1CCOCC1)c1cc(F)cc(F)c1O ZINC000756391426 575729607 /nfs/dbraw/zinc/72/96/07/575729607.db2.gz CEGKNJZPWYCAJF-GFCCVEGCSA-N 1 1 349.381 2.753 20 10 EFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@H](CO)Cc2ccccc2)c1 ZINC000756455551 575742141 /nfs/dbraw/zinc/74/21/41/575742141.db2.gz DFBSZEDNWJTLJL-HOCLYGCPSA-N 1 1 343.423 2.681 20 10 EFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H](C)CN2CCC[C@@H](C)C2)c1 ZINC000756458360 575742608 /nfs/dbraw/zinc/74/26/08/575742608.db2.gz LZWCTMCORZZYEN-ILXRZTDVSA-N 1 1 334.460 2.950 20 10 EFCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@H](C)N2CCC(C)CC2)c1 ZINC000756504062 575750244 /nfs/dbraw/zinc/75/02/44/575750244.db2.gz OXYCRYHVSKFSNB-LSDHHAIUSA-N 1 1 334.460 2.950 20 10 EFCDMO C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756571774 575764436 /nfs/dbraw/zinc/76/44/36/575764436.db2.gz FESCTDJQPBXBIR-CJNGLKHVSA-N 1 1 349.431 2.594 20 10 EFCDMO C[C@@H]([NH2+][C@@H]1C=C[C@H](CO)C1)c1cc(Br)c(F)cc1O ZINC000756661654 575773954 /nfs/dbraw/zinc/77/39/54/575773954.db2.gz SJNXKCIJXHSCMC-KXUCPTDWSA-N 1 1 330.197 2.881 20 10 EFCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC000756672751 575775472 /nfs/dbraw/zinc/77/54/72/575775472.db2.gz QWKFBXDUUVIFIN-LLVKDONJSA-N 1 1 330.340 2.938 20 10 EFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2ccc([S@](C)=O)cc2)c1 ZINC000756738943 575782815 /nfs/dbraw/zinc/78/28/15/575782815.db2.gz IJKDPDHFRYWTSX-MCFWBGNESA-N 1 1 347.436 2.767 20 10 EFCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCN(c3ccccn3)C2)c1 ZINC000756770693 575785454 /nfs/dbraw/zinc/78/54/54/575785454.db2.gz LHLWGIQCEKORAF-UKRRQHHQSA-N 1 1 341.411 2.503 20 10 EFCDMO Cc1cc(C[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)ncn1 ZINC000756989804 575808497 /nfs/dbraw/zinc/80/84/97/575808497.db2.gz GXTQWVLBLYCZCI-UHFFFAOYSA-N 1 1 341.415 2.973 20 10 EFCDMO Cn1nc(CNCc2ccc(N3CC[NH+](C)CC3)cc2)c2ccccc21 ZINC000759191345 575886639 /nfs/dbraw/zinc/88/66/39/575886639.db2.gz RPUXOXNUSYUJLH-UHFFFAOYSA-N 1 1 349.482 2.615 20 10 EFCDMO CCN(CC)c1ccc(C[N@@H+](C)[C@H](C)C(=O)NC[C@@H]2CCCO2)cc1 ZINC000759643002 575914359 /nfs/dbraw/zinc/91/43/59/575914359.db2.gz KIRLXNWQKYFALV-APWZRJJASA-N 1 1 347.503 2.648 20 10 EFCDMO CC(C)[N@@H+](CCCCS(C)(=O)=O)Cc1ccc(N(C)C)cc1 ZINC000759786199 575934023 /nfs/dbraw/zinc/93/40/23/575934023.db2.gz WBHPLGSIDPAKML-UHFFFAOYSA-N 1 1 326.506 2.788 20 10 EFCDMO C[C@H]([NH2+][C@H](CO)CC(F)F)c1cc(Br)cc(F)c1O ZINC000760050609 575975908 /nfs/dbraw/zinc/97/59/08/575975908.db2.gz JRRAGRINQMLADS-XPUUQOCRSA-N 1 1 342.155 2.961 20 10 EFCDMO CN(C)c1ccc(C[N@H+](C)CN2C[C@H](c3cccnc3)CC2=O)cc1 ZINC000765668080 577064593 /nfs/dbraw/zinc/06/45/93/577064593.db2.gz AZAVICGQJBKUON-GOSISDBHSA-N 1 1 338.455 2.553 20 10 EFCDMO CN(C)c1ccc(C[N@@H+](C)CN2C[C@H](c3cccnc3)CC2=O)cc1 ZINC000765668080 577064596 /nfs/dbraw/zinc/06/45/96/577064596.db2.gz AZAVICGQJBKUON-GOSISDBHSA-N 1 1 338.455 2.553 20 10 EFCDMO CC[N@H+]1C[C@@H](C)N(C(=O)NCc2ccc3c(c2)CCCN3C)C[C@@H]1C ZINC000766250936 577127252 /nfs/dbraw/zinc/12/72/52/577127252.db2.gz LUWPDQXVVGKYEA-JKSUJKDBSA-N 1 1 344.503 2.693 20 10 EFCDMO CS(=O)(=O)[C@H]1CCCC[N@@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000766666710 577176018 /nfs/dbraw/zinc/17/60/18/577176018.db2.gz FIDOIEHUQHZXIR-KRWDZBQOSA-N 1 1 337.485 2.670 20 10 EFCDMO O=[N+]([O-])c1cc(Cl)cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1[O-] ZINC000725845711 577246761 /nfs/dbraw/zinc/24/67/61/577246761.db2.gz IGFBDHCUCFZVAP-CHWSQXEVSA-N 1 1 325.796 2.670 20 10 EFCDMO C[C@H]([NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1cscn1 ZINC000768093160 577253977 /nfs/dbraw/zinc/25/39/77/577253977.db2.gz KYNFKWKMRKFTRH-ZFWWWQNUSA-N 1 1 344.484 2.696 20 10 EFCDMO C[N@@H+](CCCOc1ccccc1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768438649 577273563 /nfs/dbraw/zinc/27/35/63/577273563.db2.gz DEEJGMCQMLCLDY-SFHVURJKSA-N 1 1 329.396 2.719 20 10 EFCDMO COc1cc(C[NH+]2CCC(CCN3CCOCC3)CC2)c(O)cc1C ZINC000768446839 577274430 /nfs/dbraw/zinc/27/44/30/577274430.db2.gz OXJDGJCTFWRBIA-UHFFFAOYSA-N 1 1 348.487 2.644 20 10 EFCDMO CCC[N@@H+](Cc1cc2c(cc1O)OC[C@@H]2O)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000768446397 577274462 /nfs/dbraw/zinc/27/44/62/577274462.db2.gz NQOYXRIESXKKMV-PTKHLAPESA-N 1 1 347.455 2.844 20 10 EFCDMO Oc1cc2c(cc1C[N@H+]1CC[C@H](Cc3ccccc3)C1)[C@@H](O)CO2 ZINC000768448992 577274838 /nfs/dbraw/zinc/27/48/38/577274838.db2.gz YZTDWXQAEUELLE-BEFAXECRSA-N 1 1 325.408 2.883 20 10 EFCDMO Oc1cc2c(cc1C[N@H+]1CC[C@H](c3cccc(F)c3)C1)[C@@H](O)CO2 ZINC000768452706 577274973 /nfs/dbraw/zinc/27/49/73/577274973.db2.gz QVDBSFMPELSEEE-UGSOOPFHSA-N 1 1 329.371 2.947 20 10 EFCDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2cc3c(cc2O)OC[C@@H]3O)C12CCC2 ZINC000768461287 577275543 /nfs/dbraw/zinc/27/55/43/577275543.db2.gz ACLQZKFJCBQSOP-CGTJXYLNSA-N 1 1 333.428 2.598 20 10 EFCDMO CCC1(CC)[C@H](OC)C[C@H]1[N@@H+](C)Cc1cc2c(cc1O)OC[C@H]2O 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20 10 EFCDMO C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cccc(Br)c2[O-])C1 ZINC000700809402 1269549192 /nfs/dbraw/zinc/54/91/92/1269549192.db2.gz PIPIOACPGNTFHZ-LBPRGKRZSA-N 1 1 327.266 2.976 20 10 EFCDMO Cc1cc([O-])c(C[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)cc1Cl ZINC000825283139 1278492240 /nfs/dbraw/zinc/49/22/40/1278492240.db2.gz GDMZICZEMCALGP-OAHLLOKOSA-N 1 1 326.868 2.681 20 10 EFCDMO CCN(CC)c1ccc(C[N@@H+](C)[C@@H](C)C(=O)NC(=O)NC(C)C)cc1 ZINC000741678330 1269655560 /nfs/dbraw/zinc/65/55/60/1269655560.db2.gz OOIXTKDMWFCIEE-HNNXBMFYSA-N 1 1 348.491 2.587 20 10 EFCDMO CC(C)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001033699103 1269860136 /nfs/dbraw/zinc/86/01/36/1269860136.db2.gz KLPJNEVEVWWPTB-OAHLLOKOSA-N 1 1 331.420 2.651 20 10 EFCDMO CC[C@@H](F)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001033700059 1269867760 /nfs/dbraw/zinc/86/77/60/1269867760.db2.gz TYHKGAJAGQGOQG-UKRRQHHQSA-N 1 1 349.410 2.743 20 10 EFCDMO CC[C@@H](F)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001033700059 1269867772 /nfs/dbraw/zinc/86/77/72/1269867772.db2.gz TYHKGAJAGQGOQG-UKRRQHHQSA-N 1 1 349.410 2.743 20 10 EFCDMO O=C(NCc1ccccc1O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000792058417 1278522380 /nfs/dbraw/zinc/52/23/80/1278522380.db2.gz UXTBOWZTZFCUHU-QGZVFWFLSA-N 1 1 339.439 2.714 20 10 EFCDMO CCCCCC(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000742921694 1270316944 /nfs/dbraw/zinc/31/69/44/1270316944.db2.gz XPHJZDBXZJVUMD-UHFFFAOYSA-N 1 1 333.476 2.514 20 10 EFCDMO CC/C=C/CC[NH+]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001113703596 1278551163 /nfs/dbraw/zinc/55/11/63/1278551163.db2.gz DHKYQILUHDSGHQ-XZFMURBMSA-N 1 1 343.431 2.963 20 10 EFCDMO Cc1ccc([C@H](O)C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000743839444 1270779429 /nfs/dbraw/zinc/77/94/29/1270779429.db2.gz XIEAODHLNOAWDQ-OAQYLSRUSA-N 1 1 340.467 2.997 20 10 EFCDMO C[C@@H]1CCCN1C(=O)CC[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000744403365 1271028342 /nfs/dbraw/zinc/02/83/42/1271028342.db2.gz YWODHLFOLOXMHW-SJLPKXTDSA-N 1 1 346.471 2.774 20 10 EFCDMO Oc1ccc(Cl)c(F)c1C[NH+]1CCC(O[C@H]2CCOC2)CC1 ZINC000792170719 1278609672 /nfs/dbraw/zinc/60/96/72/1278609672.db2.gz WGMMGFLLEYHSQZ-LBPRGKRZSA-N 1 1 329.799 2.955 20 10 EFCDMO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000745857976 1271660058 /nfs/dbraw/zinc/66/00/58/1271660058.db2.gz MDMDKOOXQVPQSF-WBVHZDCISA-N 1 1 332.492 2.767 20 10 EFCDMO Cc1ccc2c(c1)CC[N@@H+](CC(=O)NCc1ccc(N(C)C)cc1)C2 ZINC000792312879 1278720431 /nfs/dbraw/zinc/72/04/31/1278720431.db2.gz RSXRHGZNIBDHOL-UHFFFAOYSA-N 1 1 337.467 2.736 20 10 EFCDMO Cc1ccc2c(c1)CC[N@H+](CC(=O)NCc1ccc(N(C)C)cc1)C2 ZINC000792312879 1278720443 /nfs/dbraw/zinc/72/04/43/1278720443.db2.gz RSXRHGZNIBDHOL-UHFFFAOYSA-N 1 1 337.467 2.736 20 10 EFCDMO CCOC(=O)C(=Cc1cc(C)c(C)[nH+]c1N[C@H]1COC(=O)C1)N=[N+]=[N-] ZINC001169121322 1272676867 /nfs/dbraw/zinc/67/68/67/1272676867.db2.gz WEHYRGZZEORINB-UHJIQDEKSA-N 1 1 345.359 2.640 20 10 EFCDMO CCOc1ccc(N2CCN([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc1 ZINC001169154212 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341.455 2.858 20 10 EFCDMO C[C@H](CCS(C)(=O)=O)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000798183687 1273960312 /nfs/dbraw/zinc/96/03/12/1273960312.db2.gz ZIGRYBSOWFQJOC-ZJUUUORDSA-N 1 1 339.379 2.885 20 10 EFCDMO C[N@H+]1CCCC[C@@H](CNCc2c(O)cccc2Br)C1 ZINC000706835088 1275041720 /nfs/dbraw/zinc/04/17/20/1275041720.db2.gz QAZKZHPFTIBUJG-LBPRGKRZSA-N 1 1 327.266 2.976 20 10 EFCDMO Oc1cccc(Br)c1CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000706853934 1275053749 /nfs/dbraw/zinc/05/37/49/1275053749.db2.gz NQHVVPIFFITQCG-VXGBXAGGSA-N 1 1 325.250 2.871 20 10 EFCDMO C[NH+]1CCC(CC[NH2+]Cc2c([O-])cccc2Br)CC1 ZINC000706875436 1275066933 /nfs/dbraw/zinc/06/69/33/1275066933.db2.gz ZTYVOPDXFRHQIF-UHFFFAOYSA-N 1 1 327.266 2.976 20 10 EFCDMO C[C@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000785986611 1275265024 /nfs/dbraw/zinc/26/50/24/1275265024.db2.gz BKCNOSCGPNVHBI-VCBZYWHSSA-N 1 1 336.451 2.644 20 10 EFCDMO CC(C)O[C@@H]1CCC[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000844380758 1278956610 /nfs/dbraw/zinc/95/66/10/1278956610.db2.gz YTRCVHAVUAETSJ-LJQANCHMSA-N 1 1 347.503 2.600 20 10 EFCDMO CCN(CC)c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)cc1F ZINC000787425319 1275772705 /nfs/dbraw/zinc/77/27/05/1275772705.db2.gz VDFLCEKKHBSILN-MPGHIAIKSA-N 1 1 333.451 2.758 20 10 EFCDMO CC(C)OCC[C@@H](O)C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000788274458 1276124580 /nfs/dbraw/zinc/12/45/80/1276124580.db2.gz HODWHAUVXCLENQ-MSOLQXFVSA-N 1 1 337.460 2.549 20 10 EFCDMO Cc1cc(C(=O)C[N@H+]2C[C@@H](O)C[C@@H]2C)c(C)n1-c1cccc(F)c1 ZINC000788275207 1276125578 /nfs/dbraw/zinc/12/55/78/1276125578.db2.gz KASRQMAEGWDEOF-SJCJKPOMSA-N 1 1 330.403 2.871 20 10 EFCDMO Cc1cc(C(=O)C[N@@H+]2C[C@@H](O)C[C@@H]2C)c(C)n1-c1cccc(F)c1 ZINC000788275207 1276125581 /nfs/dbraw/zinc/12/55/81/1276125581.db2.gz KASRQMAEGWDEOF-SJCJKPOMSA-N 1 1 330.403 2.871 20 10 EFCDMO COc1ccc2ccc(O)c(C[N@@H+](C)[C@H](C)CN3CCOCC3)c2c1 ZINC000788376645 1276156443 /nfs/dbraw/zinc/15/64/43/1276156443.db2.gz ARRYXWJOLIFWBP-OAHLLOKOSA-N 1 1 344.455 2.707 20 10 EFCDMO C[C@@H]([NH2+]CCN1CCOC[C@H]1C)c1cccc(C(F)(F)F)c1O ZINC000788586480 1276234608 /nfs/dbraw/zinc/23/46/08/1276234608.db2.gz CJBVDMWDCZWIKM-VXGBXAGGSA-N 1 1 332.366 2.782 20 10 EFCDMO C[C@@H]([NH2+]CC1(N2CCOCC2)CC1)c1cccc(C(F)(F)F)c1O ZINC000788775452 1276322843 /nfs/dbraw/zinc/32/28/43/1276322843.db2.gz KTDGEFLYVZUGCL-GFCCVEGCSA-N 1 1 344.377 2.926 20 10 EFCDMO C[C@@H]1C[C@H](C)[N@@H+](Cc2cccc(Br)c2[O-])C[C@@H]1C[NH3+] ZINC000817865966 1276351557 /nfs/dbraw/zinc/35/15/57/1276351557.db2.gz QFIFCUJNBDUJDO-MDZLAQPJSA-N 1 1 327.266 2.960 20 10 EFCDMO C[C@@H]1C[C@@H](C)[N@@H+](Cc2cccc(Br)c2[O-])C[C@H]1C[NH3+] ZINC000817865967 1276351850 /nfs/dbraw/zinc/35/18/50/1276351850.db2.gz QFIFCUJNBDUJDO-NQBHXWOUSA-N 1 1 327.266 2.960 20 10 EFCDMO [NH3+][C@H]1CCCCC[C@@H]1NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000817896148 1276364976 /nfs/dbraw/zinc/36/49/76/1276364976.db2.gz YRJLAHLGTOIIEJ-PMACEKPBSA-N 1 1 331.504 2.645 20 10 EFCDMO N[C@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000817896148 1276364977 /nfs/dbraw/zinc/36/49/77/1276364977.db2.gz YRJLAHLGTOIIEJ-PMACEKPBSA-N 1 1 331.504 2.645 20 10 EFCDMO CCCC[C@@H]([NH2+]C[C@@H]1CCN(c2ccc(OC)cc2)C1)C(=O)OC ZINC000818116447 1276467350 /nfs/dbraw/zinc/46/73/50/1276467350.db2.gz LDIWBVWCMQMQOS-MAUKXSAKSA-N 1 1 334.460 2.843 20 10 EFCDMO CCC[C@@H]([NH2+]C[C@H]1CCN(c2ccc(OC)cc2)C1)C(=O)OCC ZINC000818116609 1276467364 /nfs/dbraw/zinc/46/73/64/1276467364.db2.gz MYNOKAIEIDRZPD-CRAIPNDOSA-N 1 1 334.460 2.843 20 10 EFCDMO CCCN1CCC([NH2+]C[C@H]2CCN(c3ccc(OC)cc3)C2)CC1 ZINC000818345782 1276513092 /nfs/dbraw/zinc/51/30/92/1276513092.db2.gz XWRSFFFRJMNXTM-QGZVFWFLSA-N 1 1 331.504 2.986 20 10 EFCDMO Oc1cc2c(cc1C[N@H+]1CC3(CCC3)[C@H]1C1CCOCC1)[C@H](O)CO2 ZINC000819902063 1276941384 /nfs/dbraw/zinc/94/13/84/1276941384.db2.gz MQLRRISYBNGKQA-IEBWSBKVSA-N 1 1 345.439 2.599 20 10 EFCDMO COC(=O)CC[N@H+](Cc1ccc(N(C)C)c(C)c1)C[C@@H]1CCCO1 ZINC000815048062 1287268004 /nfs/dbraw/zinc/26/80/04/1287268004.db2.gz HBBACHYPPXIULA-KRWDZBQOSA-N 1 1 334.460 2.605 20 10 EFCDMO CN1CCN(c2ccc(C[NH2+]C[C@@H]3N(C)CCCC3(C)C)cc2)CC1 ZINC000790485464 1277596325 /nfs/dbraw/zinc/59/63/25/1277596325.db2.gz LXEDOXYSLJGZER-FQEVSTJZSA-N 1 1 344.547 2.648 20 10 EFCDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2cccc(O)c2O)C1 ZINC000790570247 1277653084 /nfs/dbraw/zinc/65/30/84/1277653084.db2.gz KQBKBHKCXPBOKG-UKRRQHHQSA-N 1 1 326.396 2.663 20 10 EFCDMO Cc1cc(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)ccc1N(C)C ZINC000815074259 1287300353 /nfs/dbraw/zinc/30/03/53/1287300353.db2.gz NMHVIFJRPRLKMO-YSIASYRMSA-N 1 1 331.504 2.745 20 10 EFCDMO C[C@@H](O)C[C@@H]1CCCC[N@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000790934281 1277853443 /nfs/dbraw/zinc/85/34/43/1277853443.db2.gz JRDRAWFREORANH-WBVHZDCISA-N 1 1 336.451 2.788 20 10 EFCDMO C[C@@H]1CN(C(=O)c2cccc(O)c2O)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000790910755 1277865502 /nfs/dbraw/zinc/86/55/02/1277865502.db2.gz AYBHAPVAWMFSJM-CABCVRRESA-N 1 1 340.423 2.833 20 10 EFCDMO C[C@@H]1CN(C(=O)c2cccc(O)c2O)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000790910755 1277865507 /nfs/dbraw/zinc/86/55/07/1277865507.db2.gz AYBHAPVAWMFSJM-CABCVRRESA-N 1 1 340.423 2.833 20 10 EFCDMO COCCOc1ccc(C[NH2+]Cc2c(O)ccc(Cl)c2F)cn1 ZINC000790949216 1277872721 /nfs/dbraw/zinc/87/27/21/1277872721.db2.gz KWPQUJJQNGQESS-UHFFFAOYSA-N 1 1 340.782 2.895 20 10 EFCDMO Oc1ccc(Cl)c(F)c1C[NH2+]C[C@H](O)COc1ccccc1 ZINC000790949827 1277873761 /nfs/dbraw/zinc/87/37/61/1277873761.db2.gz IZKVRBZDIJZYSV-NSHDSACASA-N 1 1 325.767 2.714 20 10 EFCDMO CN(C)C(=O)[C@H]1CCC[C@H]([NH2+]Cc2c(O)ccc(Cl)c2F)C1 ZINC000790965002 1277884360 /nfs/dbraw/zinc/88/43/60/1277884360.db2.gz YKRBABQUEFHRGA-QWRGUYRKSA-N 1 1 328.815 2.921 20 10 EFCDMO CS(=O)(=O)[C@H]1CCC[C@@H]([NH2+]Cc2c(O)ccc(Cl)c2F)C1 ZINC000790971382 1277887508 /nfs/dbraw/zinc/88/75/08/1277887508.db2.gz WEJDCEJYXYRKQZ-ZJUUUORDSA-N 1 1 335.828 2.630 20 10 EFCDMO Cc1cc(N2CCC([NH2+]Cc3c(O)ccc(Cl)c3F)CC2)n[nH]1 ZINC000790990284 1277894901 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C[C@H]([NH2+]Cc1ccc(N2CCN(C)CC2)cc1)[C@H](O)c1ccccc1 ZINC000808446915 1281715272 /nfs/dbraw/zinc/71/52/72/1281715272.db2.gz XLSUJIRPEMJJDE-UWJYYQICSA-N 1 1 339.483 2.650 20 10 EFCDMO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCCN2CCN(C)CC2)c1O ZINC000808672982 1281857917 /nfs/dbraw/zinc/85/79/17/1281857917.db2.gz IYVIDCJUGBVMPN-CQSZACIVSA-N 1 1 325.884 2.642 20 10 EFCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+](CC)C(CC)CC)cc2=O ZINC000808782052 1281898132 /nfs/dbraw/zinc/89/81/32/1281898132.db2.gz CRCXBPZBQVNCOI-UHFFFAOYSA-N 1 1 334.420 2.622 20 10 EFCDMO O=C1C[N@H+](Cc2ccc3c(c2)CCN3Cc2ccccc2)CCCN1 ZINC000809552606 1282304086 /nfs/dbraw/zinc/30/40/86/1282304086.db2.gz ODTOHFNVACPANI-UHFFFAOYSA-N 1 1 335.451 2.571 20 10 EFCDMO O=C1C[N@@H+](Cc2ccc3c(c2)CCN3Cc2ccccc2)CCCN1 ZINC000809552606 1282304094 /nfs/dbraw/zinc/30/40/94/1282304094.db2.gz ODTOHFNVACPANI-UHFFFAOYSA-N 1 1 335.451 2.571 20 10 EFCDMO CC[N@H+]1CCN(Cc2cc(C)cc(Br)c2O)[C@@H](C)C1 ZINC000809697383 1282381038 /nfs/dbraw/zinc/38/10/38/1282381038.db2.gz FZGFPRXMMXTNJZ-LBPRGKRZSA-N 1 1 327.266 2.989 20 10 EFCDMO CC[N@@H+](Cc1ccc2c(c1)CCN2Cc1ccccc1)[C@@H]1CCNC1=O ZINC000809660455 1282389894 /nfs/dbraw/zinc/38/98/94/1282389894.db2.gz IKOQFBVXANTYBK-OAQYLSRUSA-N 1 1 349.478 2.960 20 10 EFCDMO CN(CC[N@@H+](C)Cc1cc(Cl)cc(F)c1[O-])C1CC[NH+](C)CC1 ZINC000809735166 1282414200 /nfs/dbraw/zinc/41/42/00/1282414200.db2.gz ZYOMVTHVMXFENN-UHFFFAOYSA-N 1 1 343.874 2.643 20 10 EFCDMO C[NH+](C)CCN(Cc1c(O)ccc(Cl)c1F)C[C@H]1CCCO1 ZINC000809737141 1282437074 /nfs/dbraw/zinc/43/70/74/1282437074.db2.gz CXSGZBXFUPJQEK-GFCCVEGCSA-N 1 1 330.831 2.727 20 10 EFCDMO Cc1cc(Br)cc(C[N@@H+](C)C[C@@H](O)C(F)(F)F)c1O ZINC000809750814 1282454398 /nfs/dbraw/zinc/45/43/98/1282454398.db2.gz JBXUYCJTYRCQRG-SNVBAGLBSA-N 1 1 342.155 2.818 20 10 EFCDMO COc1cccc(O)c1C[N@H+]1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000809791029 1282490241 /nfs/dbraw/zinc/49/02/41/1282490241.db2.gz RZSCRIXBCFHHHI-HXUWFJFHSA-N 1 1 345.414 2.967 20 10 EFCDMO C[C@@H]([NH2+][C@@H](C)CN1CCOCC1)c1cccc(C(F)(F)F)c1O ZINC000815559487 1287595316 /nfs/dbraw/zinc/59/53/16/1287595316.db2.gz IDGMFKRAUPZNIO-NWDGAFQWSA-N 1 1 332.366 2.782 20 10 EFCDMO Cc1cc([C@H](C)[NH2+]Cc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)no1 ZINC000810211545 1283034829 /nfs/dbraw/zinc/03/48/29/1283034829.db2.gz SQOOBQZEXBMNNW-HOCLYGCPSA-N 1 1 342.443 2.536 20 10 EFCDMO CC[C@@H]([NH2+]Cc1nnnn1C1CC1)c1ccc(C(F)(F)F)cc1O ZINC000810227072 1283056006 /nfs/dbraw/zinc/05/60/06/1283056006.db2.gz QRAZTEASXYMSAI-GFCCVEGCSA-N 1 1 341.337 2.973 20 10 EFCDMO CCS(=O)(=O)C[C@H](C)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000815592728 1287619956 /nfs/dbraw/zinc/61/99/56/1287619956.db2.gz QMNXWHDVBIJSPN-UWVGGRQHSA-N 1 1 339.379 2.885 20 10 EFCDMO Oc1c(F)cc(Br)cc1C[NH2+][C@H]1CCCC12OCCO2 ZINC000715723221 1284318004 /nfs/dbraw/zinc/31/80/04/1284318004.db2.gz WZZWMSFLRLQQJP-LBPRGKRZSA-N 1 1 346.196 2.679 20 10 EFCDMO C[N@@H+]1CC=C(C[NH2+]Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000715812034 1284367206 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CCOC(=O)c1c(C[N@H+]2CCC[C@@H](CO)CC2)c2ccccc2n1C ZINC001233270717 1312889848 /nfs/dbraw/zinc/88/98/48/1312889848.db2.gz XQHMSSNLRAYLQG-OAHLLOKOSA-N 1 1 344.455 2.949 20 10 EFCDMO CCOC(=O)c1c(C[N@H+]2CCC[C@@H](O)CC2)c2ccccc2n1C ZINC001233270389 1312889888 /nfs/dbraw/zinc/88/98/88/1312889888.db2.gz LZYRVCLKLDKCBR-CQSZACIVSA-N 1 1 330.428 2.702 20 10 EFCDMO CCOC(=O)c1c(C[N@H+]2CCCC3(COC3)C2)c2ccccc2n1C ZINC001233271415 1312890115 /nfs/dbraw/zinc/89/01/15/1312890115.db2.gz YPOXXWSDSGYOMA-UHFFFAOYSA-N 1 1 342.439 2.967 20 10 EFCDMO CCOC(=O)c1c(C[N@H+]2CC[C@@H](COC)C2)c2ccccc2n1C ZINC001233270685 1312890210 /nfs/dbraw/zinc/89/02/10/1312890210.db2.gz WMDCLXJUEIYAMQ-CQSZACIVSA-N 1 1 330.428 2.823 20 10 EFCDMO CCOC(=O)c1c(C[N@H+]2C[C@@H](CO)CC[C@H]2C)c2ccccc2n1C ZINC001233270403 1312890482 /nfs/dbraw/zinc/89/04/82/1312890482.db2.gz MOUZPESULBVATD-CABCVRRESA-N 1 1 344.455 2.948 20 10 EFCDMO CCOC(=O)c1c(C[N@H+]2CCC[C@](C)(O)C2)c2ccccc2n1C ZINC001233272433 1312890686 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COC[C@]12CCCO[C@H]1CC[N@H+](Cc1c(O)ccc(F)c1F)C2 ZINC001233333685 1312905716 /nfs/dbraw/zinc/90/57/16/1312905716.db2.gz DVDCCWIYPLJMQQ-DOTOQJQBSA-N 1 1 327.371 2.688 20 10 EFCDMO COC[C@]12CCCO[C@H]1CC[N@@H+](Cc1c(O)ccc(F)c1F)C2 ZINC001233333685 1312905719 /nfs/dbraw/zinc/90/57/19/1312905719.db2.gz DVDCCWIYPLJMQQ-DOTOQJQBSA-N 1 1 327.371 2.688 20 10 EFCDMO CC(C)C(=O)N1CC[C@H]2C[N@H+](Cc3c(O)ccc(F)c3F)CC[C@@H]21 ZINC001233334135 1312906154 /nfs/dbraw/zinc/90/61/54/1312906154.db2.gz VQWRCTWSNKBALU-WFASDCNBSA-N 1 1 338.398 2.749 20 10 EFCDMO CC(C)C(=O)N1CC[C@H]2C[N@@H+](Cc3c(O)ccc(F)c3F)CC[C@@H]21 ZINC001233334135 1312906155 /nfs/dbraw/zinc/90/61/55/1312906155.db2.gz VQWRCTWSNKBALU-WFASDCNBSA-N 1 1 338.398 2.749 20 10 EFCDMO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1cncc(Cl)n1 ZINC001233448912 1312933502 /nfs/dbraw/zinc/93/35/02/1312933502.db2.gz JGGJEYMKLIBHHT-UHFFFAOYSA-N 1 1 332.835 2.599 20 10 EFCDMO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cc1cncc(Cl)n1 ZINC001233448912 1312933505 /nfs/dbraw/zinc/93/35/05/1312933505.db2.gz JGGJEYMKLIBHHT-UHFFFAOYSA-N 1 1 332.835 2.599 20 10 EFCDMO Oc1cc(C(F)(F)F)ccc1C[N@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC001233452382 1312934810 /nfs/dbraw/zinc/93/48/10/1312934810.db2.gz UMVRDHDKNRZQNM-NSHDSACASA-N 1 1 329.240 2.910 20 10 EFCDMO CN(C)C(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2O)C1 ZINC001233453956 1312935228 /nfs/dbraw/zinc/93/52/28/1312935228.db2.gz AIUANWHJAOKJMI-GFCCVEGCSA-N 1 1 330.350 2.711 20 10 EFCDMO CN1C(=O)CC[C@H]2C[N@H+](Cc3ccc(C(F)(F)F)cc3O)CC[C@@H]21 ZINC001233455286 1312936104 /nfs/dbraw/zinc/93/61/04/1312936104.db2.gz DSDFDACICOIJON-FZMZJTMJSA-N 1 1 342.361 2.854 20 10 EFCDMO COc1cccc(O[C@H]2CCC[N@@H+](Cc3cc(O)c(O)cc3O)C2)c1 ZINC001233484915 1312939656 /nfs/dbraw/zinc/93/96/56/1312939656.db2.gz CFDBJAILHAKTHI-INIZCTEOSA-N 1 1 345.395 2.855 20 10 EFCDMO Oc1cc(O)c(CN2C[C@H]3CC[N@@H+](Cc4ccccc4)[C@H]3C2)cc1O ZINC001233485610 1312940735 /nfs/dbraw/zinc/94/07/35/1312940735.db2.gz CYOXBNCNAAANRE-WBVHZDCISA-N 1 1 340.423 2.510 20 10 EFCDMO Oc1cc(O)c(C[N@@H+]2C[C@H]3CCN(Cc4ccccc4)[C@H]3C2)cc1O ZINC001233485610 1312940736 /nfs/dbraw/zinc/94/07/36/1312940736.db2.gz CYOXBNCNAAANRE-WBVHZDCISA-N 1 1 340.423 2.510 20 10 EFCDMO Oc1cc(O)c(C[N@H+]2C[C@H]3CCN(Cc4ccccc4)[C@H]3C2)cc1O ZINC001233485610 1312940738 /nfs/dbraw/zinc/94/07/38/1312940738.db2.gz CYOXBNCNAAANRE-WBVHZDCISA-N 1 1 340.423 2.510 20 10 EFCDMO Oc1cc(O)c(C[N@H+]2CCC[C@@H](OCc3ccccc3)C2)cc1O ZINC001233486226 1312940783 /nfs/dbraw/zinc/94/07/83/1312940783.db2.gz DMPFOQHOURMGPZ-MRXNPFEDSA-N 1 1 329.396 2.985 20 10 EFCDMO Oc1cc(O)c(C[N@@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2Cl)cc1O ZINC001233487530 1312941379 /nfs/dbraw/zinc/94/13/79/1312941379.db2.gz HOEVNPKNGGKKBN-STQMWFEESA-N 1 1 346.814 2.920 20 10 EFCDMO Oc1cc(O)c(C[N@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2Cl)cc1O ZINC001233487530 1312941382 /nfs/dbraw/zinc/94/13/82/1312941382.db2.gz HOEVNPKNGGKKBN-STQMWFEESA-N 1 1 346.814 2.920 20 10 EFCDMO CC[C@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1cc(Cl)ccc1[O-] ZINC000775502207 1292788880 /nfs/dbraw/zinc/78/88/80/1292788880.db2.gz QHRILCPMGPSQSA-BBRMVZONSA-N 1 1 325.884 2.722 20 10 EFCDMO Oc1ccccc1C[N@H+]1CCc2ncc(CN3CCCCC3)n2CC1 ZINC001203552217 1312953868 /nfs/dbraw/zinc/95/38/68/1312953868.db2.gz FHAGDQAUSPFYRO-UHFFFAOYSA-N 1 1 340.471 2.633 20 10 EFCDMO Oc1ccccc1C[N@@H+]1CCc2ncc(CN3CCCCC3)n2CC1 ZINC001203552217 1312953872 /nfs/dbraw/zinc/95/38/72/1312953872.db2.gz FHAGDQAUSPFYRO-UHFFFAOYSA-N 1 1 340.471 2.633 20 10 EFCDMO CC[C@H]1[N@@H+](Cc2ccccc2O)CCC[C@]12CCC(=O)N2CCOC ZINC001203552765 1312954237 /nfs/dbraw/zinc/95/42/37/1312954237.db2.gz SKMUIPLSAQPNAP-QUCCMNQESA-N 1 1 346.471 2.774 20 10 EFCDMO CCOC(=O)[C@H]1CCC[N@H+](C2CCN(Cc3ccccc3O)CC2)C1 ZINC001203551683 1312954516 /nfs/dbraw/zinc/95/45/16/1312954516.db2.gz KKDAHCKDTVJEIZ-KRWDZBQOSA-N 1 1 346.471 2.632 20 10 EFCDMO O=C1[C@H]2C[N@@H+](Cc3ccccc3O)C[C@H]2CN1Cc1cccc(F)c1 ZINC001203551819 1312954587 /nfs/dbraw/zinc/95/45/87/1312954587.db2.gz PBPWWKJDVRYMIS-WMZOPIPTSA-N 1 1 340.398 2.622 20 10 EFCDMO Cn1cc2c(n1)C[N@@H+](Cc1ccccc1O)C[C@H]2COCC1CC1 ZINC001203551297 1312954666 /nfs/dbraw/zinc/95/46/66/1312954666.db2.gz BARNOQSMWPAFPI-INIZCTEOSA-N 1 1 327.428 2.652 20 10 EFCDMO Cn1cc2c(n1)C[N@H+](Cc1ccccc1O)C[C@H]2COCC1CC1 ZINC001203551297 1312954668 /nfs/dbraw/zinc/95/46/68/1312954668.db2.gz BARNOQSMWPAFPI-INIZCTEOSA-N 1 1 327.428 2.652 20 10 EFCDMO Oc1ccccc1C[N@@H+]1Cc2nccn2C[C@@H](COCC2CC2)C1 ZINC001203552934 1312955038 /nfs/dbraw/zinc/95/50/38/1312955038.db2.gz VUBLHWWQISHJPC-INIZCTEOSA-N 1 1 327.428 2.647 20 10 EFCDMO Oc1ccccc1C[N@H+]1CC[C@]2(C[C@H](Oc3ncccc3F)CO2)C1 ZINC001203556325 1312955748 /nfs/dbraw/zinc/95/57/48/1312955748.db2.gz MQUSBUCIZKWMKT-KXBFYZLASA-N 1 1 344.386 2.739 20 10 EFCDMO COc1cccc(C[N@H+]2CC[C@]3(CCN3C(=O)OC(C)(C)C)C2)c1O ZINC001203589704 1312964681 /nfs/dbraw/zinc/96/46/81/1312964681.db2.gz LOZBATUDDRECTE-IBGZPJMESA-N 1 1 348.443 2.986 20 10 EFCDMO COc1cccc(CN2CC3(C2)CC[N@H+](Cc2cccnc2)C3)c1O ZINC001203591983 1312965341 /nfs/dbraw/zinc/96/53/41/1312965341.db2.gz OJFHPNWGABOXTP-UHFFFAOYSA-N 1 1 339.439 2.504 20 10 EFCDMO COc1cccc(CN2CC3(C2)CC[N@@H+](Cc2cccnc2)C3)c1O ZINC001203591983 1312965344 /nfs/dbraw/zinc/96/53/44/1312965344.db2.gz OJFHPNWGABOXTP-UHFFFAOYSA-N 1 1 339.439 2.504 20 10 EFCDMO COc1cccc(C[N@H+]2CC[C@@]3(CCN3C(=O)OC(C)(C)C)C2)c1O ZINC001203589706 1312965515 /nfs/dbraw/zinc/96/55/15/1312965515.db2.gz LOZBATUDDRECTE-LJQANCHMSA-N 1 1 348.443 2.986 20 10 EFCDMO CCOC[C@H]1C[N@@H+](Cc2cccc(OC)c2O)Cc2cn(CC)nc21 ZINC001203593913 1312965720 /nfs/dbraw/zinc/96/57/20/1312965720.db2.gz RPIREACOPZUZOL-MRXNPFEDSA-N 1 1 345.443 2.753 20 10 EFCDMO COc1cccc(C[N@H+]2CCC[C@@]3(CCCCN3C(C)=O)C2)c1O ZINC001203594240 1312965736 /nfs/dbraw/zinc/96/57/36/1312965736.db2.gz WAMGFBPOZQRGHZ-IBGZPJMESA-N 1 1 332.444 2.768 20 10 EFCDMO CCOC[C@@H]1C[N@@H+](Cc2cccc(OC)c2O)Cc2cn(CC)nc21 ZINC001203593912 1312965743 /nfs/dbraw/zinc/96/57/43/1312965743.db2.gz RPIREACOPZUZOL-INIZCTEOSA-N 1 1 345.443 2.753 20 10 EFCDMO COc1cccc(C[N@H+]2CCC[C@]3(CCCCN3C(C)=O)C2)c1O ZINC001203594241 1312966048 /nfs/dbraw/zinc/96/60/48/1312966048.db2.gz WAMGFBPOZQRGHZ-LJQANCHMSA-N 1 1 332.444 2.768 20 10 EFCDMO CCN(CC)c1ccc(CNC(=O)N2CC[NH+](CC)CC2)cc1F ZINC000303380143 1293004758 /nfs/dbraw/zinc/00/47/58/1293004758.db2.gz VPRQZJZVEXHMML-UHFFFAOYSA-N 1 1 336.455 2.519 20 10 EFCDMO CCOC[C@H]1C[N@H+](Cc2cccc(OCC)c2O)Cc2ncn(C)c21 ZINC001203608599 1312970178 /nfs/dbraw/zinc/97/01/78/1312970178.db2.gz VRWMUPSHRPSEJW-OAHLLOKOSA-N 1 1 345.443 2.660 20 10 EFCDMO CCOC[C@H]1C[N@@H+](Cc2cccc(OCC)c2O)Cc2ncn(C)c21 ZINC001203608599 1312970179 /nfs/dbraw/zinc/97/01/79/1312970179.db2.gz VRWMUPSHRPSEJW-OAHLLOKOSA-N 1 1 345.443 2.660 20 10 EFCDMO CCOc1cccc(C[N@H+]2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC2)c1O ZINC001203608377 1312970378 /nfs/dbraw/zinc/97/03/78/1312970378.db2.gz NQVIUJZGKBDBGA-IRXDYDNUSA-N 1 1 344.455 2.766 20 10 EFCDMO CCOc1cccc(C[N@H+]2CCC[C@@H](NC(=O)N3CCCC3)C2)c1O ZINC001203617703 1312972207 /nfs/dbraw/zinc/97/22/07/1312972207.db2.gz VGNWAFLHDAOKBQ-MRXNPFEDSA-N 1 1 347.459 2.561 20 10 EFCDMO CCOc1cccc(C[N@H+]2CC[C@H](Oc3ncccc3OC)C2)c1O ZINC001203616939 1312972223 /nfs/dbraw/zinc/97/22/23/1312972223.db2.gz BGVMZDHOLREZEX-HNNXBMFYSA-N 1 1 344.411 2.848 20 10 EFCDMO CCOc1cccc(CN2CCN(c3cc[nH+]cc3C)CC2)c1O ZINC001203616989 1312972454 /nfs/dbraw/zinc/97/24/54/1312972454.db2.gz DXQBPVYEFKPXTF-UHFFFAOYSA-N 1 1 327.428 2.817 20 10 EFCDMO CCOc1cccc(C[N@H+]2CCC[C@H](Oc3ncncc3C)C2)c1O ZINC001203616947 1312972562 /nfs/dbraw/zinc/97/25/62/1312972562.db2.gz BLLFPKXJMJZKFZ-INIZCTEOSA-N 1 1 343.427 2.933 20 10 EFCDMO COc1ccc(C[N@H+]2CC[C@]3(CCN3C(=O)OC(C)(C)C)C2)c(O)c1 ZINC001203622240 1312972886 /nfs/dbraw/zinc/97/28/86/1312972886.db2.gz VGHOETJBNHCYJY-IBGZPJMESA-N 1 1 348.443 2.986 20 10 EFCDMO COc1ccc(C[N@H+]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)c(O)c1 ZINC001203621322 1312973082 /nfs/dbraw/zinc/97/30/82/1312973082.db2.gz ABEKRFIQKXCGPV-HIFRSBDPSA-N 1 1 348.443 2.842 20 10 EFCDMO COc1ccc(C[N@H+]2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c(O)c1 ZINC001203622165 1312973325 /nfs/dbraw/zinc/97/33/25/1312973325.db2.gz RGANGEMRYGIXJD-XJKSGUPXSA-N 1 1 348.443 2.842 20 10 EFCDMO COC(=O)c1ccc2c(c1)CC[N@H+](Cc1ccc(OC)cc1O)C2 ZINC001203620605 1312973541 /nfs/dbraw/zinc/97/35/41/1312973541.db2.gz GBGXJVKGFQHWJV-UHFFFAOYSA-N 1 1 327.380 2.746 20 10 EFCDMO CCOC[C@H]1C[N@@H+](Cc2ccc(OC)cc2O)Cc2cnn(CC)c21 ZINC001203623220 1312973872 /nfs/dbraw/zinc/97/38/72/1312973872.db2.gz MSOBOEOQSALPSK-MRXNPFEDSA-N 1 1 345.443 2.753 20 10 EFCDMO COCC[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1ccc(OC)cc1O)C2 ZINC001203623622 1312974681 /nfs/dbraw/zinc/97/46/81/1312974681.db2.gz VJCORIAGXRQZLK-BEFAXECRSA-N 1 1 335.444 2.808 20 10 EFCDMO COc1ccc(CN2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)c(O)c1 ZINC001203627735 1312975008 /nfs/dbraw/zinc/97/50/08/1312975008.db2.gz MIXIZGLLFGFKEH-RTBURBONSA-N 1 1 338.451 2.965 20 10 EFCDMO COc1ccc(C[NH+]2CCN(C(=O)c3cccc(C)c3)CC2)c(O)c1 ZINC001203627809 1312975872 /nfs/dbraw/zinc/97/58/72/1312975872.db2.gz QALVZPSQDGSDLT-UHFFFAOYSA-N 1 1 340.423 2.667 20 10 EFCDMO COc1ccc(C[N@H+]2CC[C@]3(C[C@@H](OCC4CC4)CO3)C2)c(O)c1 ZINC001203629976 1312975934 /nfs/dbraw/zinc/97/59/34/1312975934.db2.gz PMDBLWBOKBUKRZ-MJGOQNOKSA-N 1 1 333.428 2.561 20 10 EFCDMO CC[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775556506 1293104578 /nfs/dbraw/zinc/10/45/78/1293104578.db2.gz YXPPWKRQNAEDMN-IUODEOHRSA-N 1 1 333.259 2.806 20 10 EFCDMO CC[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775556506 1293104584 /nfs/dbraw/zinc/10/45/84/1293104584.db2.gz YXPPWKRQNAEDMN-IUODEOHRSA-N 1 1 333.259 2.806 20 10 EFCDMO CN(C)c1ccc(C[N@@H+]2CCCN(CC(F)(F)F)CC2)cc1F ZINC000129455204 1293107581 /nfs/dbraw/zinc/10/75/81/1293107581.db2.gz UXQZMPFYAPQAIH-UHFFFAOYSA-N 1 1 333.373 2.962 20 10 EFCDMO CN(C)c1ccc(C[N@H+]2CCCN(CC(F)(F)F)CC2)cc1F ZINC000129455204 1293107584 /nfs/dbraw/zinc/10/75/84/1293107584.db2.gz UXQZMPFYAPQAIH-UHFFFAOYSA-N 1 1 333.373 2.962 20 10 EFCDMO COc1ccc(C[NH+]2CCN(Cc3c(F)cccc3F)CC2)c(O)c1 ZINC001203634527 1312977397 /nfs/dbraw/zinc/97/73/97/1312977397.db2.gz KMTSPMDEHUWJRA-UHFFFAOYSA-N 1 1 348.393 2.997 20 10 EFCDMO COC(=O)[C@@H]1C[N@@H+](Cc2ccc(OC)cc2O)C[C@H]1c1ccccc1 ZINC001203635321 1312977418 /nfs/dbraw/zinc/97/74/18/1312977418.db2.gz PNRGSYKGHQDATC-ZWKOTPCHSA-N 1 1 341.407 2.789 20 10 EFCDMO OC[C@H]1C[N@@H+](Cc2cccc(OC(F)(F)F)c2O)CCC1(F)F ZINC001233727646 1312978825 /nfs/dbraw/zinc/97/88/25/1312978825.db2.gz NUFQYZFKFDUVSG-SNVBAGLBSA-N 1 1 341.276 2.740 20 10 EFCDMO Oc1c(C[N@@H+]2CC[C@](O)(CF)[C@@H](F)C2)cccc1OC(F)(F)F ZINC001233727895 1312978999 /nfs/dbraw/zinc/97/89/99/1312978999.db2.gz QWZAWBBBZBMGNU-AAEUAGOBSA-N 1 1 341.276 2.535 20 10 EFCDMO Oc1c(C[N@H+]2CC[C@](O)(CF)[C@@H](F)C2)cccc1OC(F)(F)F ZINC001233727895 1312979002 /nfs/dbraw/zinc/97/90/02/1312979002.db2.gz QWZAWBBBZBMGNU-AAEUAGOBSA-N 1 1 341.276 2.535 20 10 EFCDMO Oc1ccc(Br)cc1C[N@H+]1C[C@@H]2COC[C@H](C1)C2(F)F ZINC001203645380 1312979900 /nfs/dbraw/zinc/97/99/00/1312979900.db2.gz FTKPSTLAMNYENI-PHIMTYICSA-N 1 1 348.187 2.868 20 10 EFCDMO C[N@@H+](C1CC1)[C@H]1CCN(Cc2cc(Br)ccc2O)C1 ZINC001203650375 1312980163 /nfs/dbraw/zinc/98/01/63/1312980163.db2.gz QLFAQUSLKTZVKT-AWEZNQCLSA-N 1 1 325.250 2.823 20 10 EFCDMO CC(C)(C)OC(=O)CN1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC001203658043 1312982789 /nfs/dbraw/zinc/98/27/89/1312982789.db2.gz QMXLUTRBILMMMS-UHFFFAOYSA-N 1 1 340.851 2.505 20 10 EFCDMO CN(C)c1ccc(-c2nc(C(=O)NC[C@@H]3CC[N@@H+](C)C3)cs2)cc1 ZINC001193178739 1293201420 /nfs/dbraw/zinc/20/14/20/1293201420.db2.gz GVHQZTSYKIWQMQ-ZDUSSCGKSA-N 1 1 344.484 2.558 20 10 EFCDMO Cc1cc(C[N@H+](C)Cc2cccc(OC(F)(F)F)c2O)n(C)n1 ZINC001233754420 1312984450 /nfs/dbraw/zinc/98/44/50/1312984450.db2.gz DQYYSNINHDTWRH-UHFFFAOYSA-N 1 1 329.322 2.965 20 10 EFCDMO Cc1cc(C[N@@H+](C)Cc2cccc(OC(F)(F)F)c2O)n(C)n1 ZINC001233754420 1312984453 /nfs/dbraw/zinc/98/44/53/1312984453.db2.gz DQYYSNINHDTWRH-UHFFFAOYSA-N 1 1 329.322 2.965 20 10 EFCDMO Oc1ccc(Cl)cc1C[NH+]1CCN(c2nccc(Cl)n2)CC1 ZINC001203663597 1312984498 /nfs/dbraw/zinc/98/44/98/1312984498.db2.gz AKPVZIJNIODDGM-UHFFFAOYSA-N 1 1 339.226 2.811 20 10 EFCDMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(O)c(O)c1Cl ZINC001193236689 1293209376 /nfs/dbraw/zinc/20/93/76/1293209376.db2.gz NEAPUURSICURBG-LLVKDONJSA-N 1 1 326.824 2.746 20 10 EFCDMO COc1ccc(O)c(C[N@H+]2CCCC23CN(C(=O)OC(C)(C)C)C3)c1 ZINC001203670317 1312985485 /nfs/dbraw/zinc/98/54/85/1312985485.db2.gz NTMNQSYHTZQVDW-UHFFFAOYSA-N 1 1 348.443 2.986 20 10 EFCDMO COC(=O)C[C@@H]1CCC[N@H+]1Cc1cccc(OC(F)(F)F)c1O ZINC001233760539 1312986053 /nfs/dbraw/zinc/98/60/53/1312986053.db2.gz GYIXASQOXRBKIC-NSHDSACASA-N 1 1 333.306 2.818 20 10 EFCDMO Cc1noc([C@H]2CC[N@@H+](Cc3cccc(OC(F)(F)F)c3O)C2)n1 ZINC001233768220 1312987743 /nfs/dbraw/zinc/98/77/43/1312987743.db2.gz MLTBDYNBGXZZJX-NSHDSACASA-N 1 1 343.305 2.972 20 10 EFCDMO COc1ccc(O)c(CN2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001203678021 1312987865 /nfs/dbraw/zinc/98/78/65/1312987865.db2.gz FSHFMLJVZODTCY-OALUTQOASA-N 1 1 338.451 2.965 20 10 EFCDMO COc1ccc(O)c(C[NH+]2C[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)c1 ZINC001203678021 1312987868 /nfs/dbraw/zinc/98/78/68/1312987868.db2.gz FSHFMLJVZODTCY-OALUTQOASA-N 1 1 338.451 2.965 20 10 EFCDMO COC(=O)[C@H]1C[N@@H+](Cc2cc(OC)ccc2O)C[C@H]1c1ccccc1 ZINC001203684530 1312989411 /nfs/dbraw/zinc/98/94/11/1312989411.db2.gz YZOGSUJAHYRFKQ-ROUUACIJSA-N 1 1 341.407 2.789 20 10 EFCDMO Cn1cnc2c1C[N@H+](Cc1cccc(OC(F)(F)F)c1O)CC2 ZINC001233775713 1312989900 /nfs/dbraw/zinc/98/99/00/1312989900.db2.gz APUDJBWSXAXMBR-UHFFFAOYSA-N 1 1 327.306 2.583 20 10 EFCDMO Cn1cnc2c1C[N@@H+](Cc1cccc(OC(F)(F)F)c1O)CC2 ZINC001233775713 1312989902 /nfs/dbraw/zinc/98/99/02/1312989902.db2.gz APUDJBWSXAXMBR-UHFFFAOYSA-N 1 1 327.306 2.583 20 10 EFCDMO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1cc(O)c(O)c(Cl)c1 ZINC001193626174 1293375204 /nfs/dbraw/zinc/37/52/04/1293375204.db2.gz RSIVCPRTTVYLMM-NSHDSACASA-N 1 1 326.824 2.601 20 10 EFCDMO Oc1c(Br)cccc1CN1CC[NH+](CC2CC2)CC1 ZINC000130666824 1293418239 /nfs/dbraw/zinc/41/82/39/1293418239.db2.gz RUTGEKVSJPFODX-UHFFFAOYSA-N 1 1 325.250 2.682 20 10 EFCDMO Cc1ccc(CN2CC[C@H]([NH2+]Cc3cc(F)cc(F)c3O)C2=O)cc1 ZINC000883102138 1293463051 /nfs/dbraw/zinc/46/30/51/1293463051.db2.gz HSWHJOICZLGMOC-KRWDZBQOSA-N 1 1 346.377 2.870 20 10 EFCDMO Cc1ncc([C@@H](C)[NH2+]Cc2ccc(N3CCN(C)CC3)cc2)c(C)n1 ZINC000883289607 1293533039 /nfs/dbraw/zinc/53/30/39/1293533039.db2.gz UUWKEZFPJUAMLD-OAHLLOKOSA-N 1 1 339.487 2.696 20 10 EFCDMO CC(C)=CC[N@H+](C)[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001194368984 1293599499 /nfs/dbraw/zinc/59/94/99/1293599499.db2.gz ZLSRCKXQFSNSTP-MRXNPFEDSA-N 1 1 343.431 2.962 20 10 EFCDMO CC(C)=CC[N@H+](C)[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001194368982 1293600595 /nfs/dbraw/zinc/60/05/95/1293600595.db2.gz ZLSRCKXQFSNSTP-INIZCTEOSA-N 1 1 343.431 2.962 20 10 EFCDMO CCCC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001194375445 1293603630 /nfs/dbraw/zinc/60/36/30/1293603630.db2.gz QNNMCKFYPQEKFZ-OAHLLOKOSA-N 1 1 331.420 2.795 20 10 EFCDMO CN1CCN(c2ccc(C[N@H+](CCO)C3CCCCC3)cc2)CC1 ZINC000775634048 1293792596 /nfs/dbraw/zinc/79/25/96/1293792596.db2.gz OBJSXQTYCFOBQN-UHFFFAOYSA-N 1 1 331.504 2.565 20 10 EFCDMO CN1CCN(c2ccc(C[N@@H+](CCO)C3CCCCC3)cc2)CC1 ZINC000775634048 1293792600 /nfs/dbraw/zinc/79/26/00/1293792600.db2.gz OBJSXQTYCFOBQN-UHFFFAOYSA-N 1 1 331.504 2.565 20 10 EFCDMO C[C@@H]1[C@@H](NC(=O)OC(C)(C)C)CCC[N@@H+]1Cc1ccc(O)c(O)c1 ZINC001203880833 1313040207 /nfs/dbraw/zinc/04/02/07/1313040207.db2.gz IWHBJHYGOKNNEL-OCCSQVGLSA-N 1 1 336.432 2.975 20 10 EFCDMO C[C@@H]1[C@@H](NC(=O)OC(C)(C)C)CCC[N@H+]1Cc1ccc(O)c(O)c1 ZINC001203880833 1313040210 /nfs/dbraw/zinc/04/02/10/1313040210.db2.gz IWHBJHYGOKNNEL-OCCSQVGLSA-N 1 1 336.432 2.975 20 10 EFCDMO Cc1noc(C)c1CN(C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775654639 1293923063 /nfs/dbraw/zinc/92/30/63/1293923063.db2.gz OACZRFIVGVXXGQ-UHFFFAOYSA-N 1 1 328.460 2.675 20 10 EFCDMO COc1ccc(O)c([C@H](C)[NH2+]Cc2cn(Cc3ccccc3)nn2)c1 ZINC000775655925 1293926163 /nfs/dbraw/zinc/92/61/63/1293926163.db2.gz XRLDNFDQELWQFI-AWEZNQCLSA-N 1 1 338.411 2.891 20 10 EFCDMO CC(C)(C)OC(=O)N[C@@]1(C)CCC[N@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203874840 1313038143 /nfs/dbraw/zinc/03/81/43/1313038143.db2.gz DFJSDUDPQPBORT-SFHVURJKSA-N 1 1 336.432 2.977 20 10 EFCDMO CC(C)(C)OC(=O)N[C@@]1(C)CCC[N@@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203874840 1313038147 /nfs/dbraw/zinc/03/81/47/1313038147.db2.gz DFJSDUDPQPBORT-SFHVURJKSA-N 1 1 336.432 2.977 20 10 EFCDMO CC(C)(C)OC(=O)N[C@H]1CCCC[N@@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203875107 1313038434 /nfs/dbraw/zinc/03/84/34/1313038434.db2.gz HLRNYEYKHPVOSW-AWEZNQCLSA-N 1 1 336.432 2.977 20 10 EFCDMO CN1CCN(c2ccc(C[N@@H+]3CCC[C@@H](c4cc[nH]n4)C3)cc2)CC1 ZINC000775657870 1293934051 /nfs/dbraw/zinc/93/40/51/1293934051.db2.gz ANYHSDIAFFDAPE-GOSISDBHSA-N 1 1 339.487 2.541 20 10 EFCDMO CN1CCN(c2ccc(C[N@H+]3CCC[C@@H](c4cc[nH]n4)C3)cc2)CC1 ZINC000775657870 1293934059 /nfs/dbraw/zinc/93/40/59/1293934059.db2.gz ANYHSDIAFFDAPE-GOSISDBHSA-N 1 1 339.487 2.541 20 10 EFCDMO CC(C)(C)OC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(O)c(O)c3)CC[C@@H]21 ZINC001203877739 1313038777 /nfs/dbraw/zinc/03/87/77/1313038777.db2.gz IIKKXTULHHVUHA-GJZGRUSLSA-N 1 1 348.443 2.929 20 10 EFCDMO CN1CCN(c2ccc(C[N@@H+]3CCC[C@H](c4ncc[nH]4)C3)cc2)CC1 ZINC000775659628 1293943360 /nfs/dbraw/zinc/94/33/60/1293943360.db2.gz ZOQNUOZPTOISQC-SFHVURJKSA-N 1 1 339.487 2.541 20 10 EFCDMO CN1CCN(c2ccc(C[N@H+]3CCC[C@H](c4ncc[nH]4)C3)cc2)CC1 ZINC000775659628 1293943362 /nfs/dbraw/zinc/94/33/62/1293943362.db2.gz ZOQNUOZPTOISQC-SFHVURJKSA-N 1 1 339.487 2.541 20 10 EFCDMO COCCOc1ccc(N2CC[NH+](Cc3ccc(C)o3)CC2)cc1 ZINC001203301268 1293946187 /nfs/dbraw/zinc/94/61/87/1293946187.db2.gz GJUOTAYSSJIDQZ-UHFFFAOYSA-N 1 1 330.428 2.935 20 10 EFCDMO Oc1ccc(C[NH+]2CCC(Oc3ccc(Cl)nn3)CC2)cc1O ZINC001203879332 1313039906 /nfs/dbraw/zinc/03/99/06/1313039906.db2.gz IFVFYJHRLNYLHE-UHFFFAOYSA-N 1 1 335.791 2.585 20 10 EFCDMO 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EFCDMO CCOC(=O)c1c(CN2CCC[C@H]2CC[NH3+])c2ccccc2n1C ZINC001235925193 1313418842 /nfs/dbraw/zinc/41/88/42/1313418842.db2.gz DQUXAQPWLBVIOC-AWEZNQCLSA-N 1 1 329.444 2.668 20 10 EFCDMO [NH3+]C[C@@]1(F)CCCCN(Cc2c(O)cc(Br)cc2F)C1 ZINC001206369456 1313443221 /nfs/dbraw/zinc/44/32/21/1313443221.db2.gz FGWFVKHASPLWAV-AWEZNQCLSA-N 1 1 349.219 2.947 20 10 EFCDMO Cc1cc(Br)cc(CN2CCC[C@H]3C[N@H+](C)C[C@H]32)c1O ZINC001206376444 1313444682 /nfs/dbraw/zinc/44/46/82/1313444682.db2.gz GZONGYWWLLGPKR-SWLSCSKDSA-N 1 1 339.277 2.989 20 10 EFCDMO CCC[C@@H]1C[NH2+]CCN1Cc1cc(Br)c(F)cc1O ZINC001236132784 1313445173 /nfs/dbraw/zinc/44/51/73/1313445173.db2.gz NXCROFLBHSIHOX-LLVKDONJSA-N 1 1 331.229 2.868 20 10 EFCDMO CCCC[C@H]1CN(Cc2c(O)ccc3c(C)cc(=O)oc32)CC[NH2+]1 ZINC001236138039 1313445935 /nfs/dbraw/zinc/44/59/35/1313445935.db2.gz FFFPPFGWBDRIGO-AWEZNQCLSA-N 1 1 330.428 2.771 20 10 EFCDMO C[N@@H+](Cc1cc(Br)cc(F)c1[O-])[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236212955 1313456798 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/nfs/dbraw/zinc/87/09/68/1315870968.db2.gz FGLGTCOSIQYRGI-CQSZACIVSA-N 1 1 331.437 2.613 20 10 EFCDMO C[C@H](CS(=O)(=O)c1ccccc1)[N@H+]1CCc2cccc(O)c2C1 ZINC001255825970 1315870969 /nfs/dbraw/zinc/87/09/69/1315870969.db2.gz FGLGTCOSIQYRGI-CQSZACIVSA-N 1 1 331.437 2.613 20 10 EFCDMO CC[N@@H+](Cc1ccccc1O)C1CCN(C(=O)C(F)(F)F)CC1 ZINC001255988537 1315889637 /nfs/dbraw/zinc/88/96/37/1315889637.db2.gz PCPMANZGZPCTEN-UHFFFAOYSA-N 1 1 330.350 2.767 20 10 EFCDMO CCOC(=O)N1CC[C@H]([NH2+]Cc2cc(Cl)c3cccnc3c2O)C1 ZINC001256017726 1315892599 /nfs/dbraw/zinc/89/25/99/1315892599.db2.gz WBLMMECBJBUEEL-LBPRGKRZSA-N 1 1 349.818 2.914 20 10 EFCDMO COc1ccc(N2CC[NH+](C3CCN(C4CC4)CC3)CC2)c(C)c1 ZINC001256081608 1315902853 /nfs/dbraw/zinc/90/28/53/1315902853.db2.gz IWKHKKQCMSIJEK-UHFFFAOYSA-N 1 1 329.488 2.752 20 10 EFCDMO C[C@H](Cc1ccccn1)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC001256418437 1315938811 /nfs/dbraw/zinc/93/88/11/1315938811.db2.gz VWKCWCCEGHQYTB-QGZVFWFLSA-N 1 1 325.456 2.981 20 10 EFCDMO Cc1ccc(O)c(C[N@H+]2CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C2)c1 ZINC000827849985 1316023824 /nfs/dbraw/zinc/02/38/24/1316023824.db2.gz KYNSITRKLUTWIZ-YPMHNXCESA-N 1 1 330.350 2.590 20 10 EFCDMO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C2)c1 ZINC000827849985 1316023828 /nfs/dbraw/zinc/02/38/28/1316023828.db2.gz KYNSITRKLUTWIZ-YPMHNXCESA-N 1 1 330.350 2.590 20 10 EFCDMO CC(C)[C@@H](C(=O)N[C@H](C)c1ccccc1O)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000827930627 1316034561 /nfs/dbraw/zinc/03/45/61/1316034561.db2.gz NOOUGIGMYWODCM-ADAWSYLGSA-N 1 1 334.460 2.703 20 10 EFCDMO CN1CCN(c2ccc(C[N@H+]3CC[C@H](O)CC(C)(C)C3)cc2F)CC1 ZINC001261256297 1316399058 /nfs/dbraw/zinc/39/90/58/1316399058.db2.gz BDOZMPJMXUUOIX-KRWDZBQOSA-N 1 1 349.494 2.560 20 10 EFCDMO COc1ccc(C[NH2+]Cc2csc([C@@H](C)OC)n2)c(O)c1OC ZINC001262362938 1316464109 /nfs/dbraw/zinc/46/41/09/1316464109.db2.gz GJRNFWUDSOMPKV-SNVBAGLBSA-N 1 1 338.429 2.863 20 10 EFCDMO CCCC[N@@H+](C)CC1CCN(C(=O)NCc2ccc(N)cc2)CC1 ZINC001262603689 1316475075 /nfs/dbraw/zinc/47/50/75/1316475075.db2.gz RSRFLJNMXSQAMT-UHFFFAOYSA-N 1 1 332.492 2.922 20 10 EFCDMO CCC[N@H+]1CC[C@H]2CCN(C(=O)c3ccc(N=NC(N)=O)cc3)C[C@H]21 ZINC001042371673 1317230231 /nfs/dbraw/zinc/23/02/31/1317230231.db2.gz UJJKEQDRUGJTRQ-XJKSGUPXSA-N 1 1 343.431 2.795 20 10 EFCDMO CCN(CC)c1ccc(C[N@@H+](C)Cc2c(C)nn(CCO)c2C)cc1 ZINC001319687207 1328950529 /nfs/dbraw/zinc/95/05/29/1328950529.db2.gz DCWMKUPHODVFAP-UHFFFAOYSA-N 1 1 344.503 2.970 20 10 EFCDMO C[C@H](CS(C)(=O)=O)[N@H+](Cc1ccc(N2CCCC2)cc1)C1CC1 ZINC001319707202 1328956637 /nfs/dbraw/zinc/95/66/37/1328956637.db2.gz LHKXMOYVWCKOSZ-OAHLLOKOSA-N 1 1 336.501 2.684 20 10 EFCDMO C[C@H](CS(C)(=O)=O)[N@@H+](Cc1ccc(N2CCCC2)cc1)C1CC1 ZINC001319707202 1328956639 /nfs/dbraw/zinc/95/66/39/1328956639.db2.gz LHKXMOYVWCKOSZ-OAHLLOKOSA-N 1 1 336.501 2.684 20 10 EFCDMO COc1cc(O)c(C[N@@H+](Cc2ccccc2)[C@H](C)CO)cc1OC ZINC001319813482 1329000589 /nfs/dbraw/zinc/00/05/89/1329000589.db2.gz AJSHFRVRLRRXHD-CQSZACIVSA-N 1 1 331.412 2.792 20 10 EFCDMO O=C(NC1CC1)[C@H]1CCC[N@@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001319948339 1329041840 /nfs/dbraw/zinc/04/18/40/1329041840.db2.gz SDGUIICZIXOIFQ-KRWDZBQOSA-N 1 1 327.472 2.777 20 10 EFCDMO CN1CCN(c2ccc(C[N@@H+](C)C[C@H]3CCCCO3)cc2F)CC1 ZINC001319948364 1329042388 /nfs/dbraw/zinc/04/23/88/1329042388.db2.gz SWGFXZRLDVGGPK-QGZVFWFLSA-N 1 1 335.467 2.578 20 10 EFCDMO CCc1nnc(NCc2ccc(N3CC[NH+](C)CC3)c(F)c2)s1 ZINC001320110674 1329083773 /nfs/dbraw/zinc/08/37/73/1329083773.db2.gz VXNKBTKEASCRQQ-UHFFFAOYSA-N 1 1 335.452 2.604 20 10 EFCDMO O=[N+]([O-])c1cnn(CC[N@H+](Cc2ccccc2O)C2CCCC2)c1 ZINC000746674428 1324437165 /nfs/dbraw/zinc/43/71/65/1324437165.db2.gz WTLCTQXVTWCGSV-UHFFFAOYSA-N 1 1 330.388 2.942 20 10 EFCDMO O=[N+]([O-])c1ccn(CC[N@H+](Cc2ccccc2O)C2CCCC2)n1 ZINC000747959785 1324592835 /nfs/dbraw/zinc/59/28/35/1324592835.db2.gz UEKPRJREXWRYRQ-UHFFFAOYSA-N 1 1 330.388 2.942 20 10 EFCDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1Cc1ccc(N2CCCC2)cc1 ZINC001320939641 1329322396 /nfs/dbraw/zinc/32/23/96/1329322396.db2.gz ZFEXOWJBQVRJOZ-SFHVURJKSA-N 1 1 343.515 2.972 20 10 EFCDMO CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001323285247 1329530997 /nfs/dbraw/zinc/53/09/97/1329530997.db2.gz FCINEFXLABVADM-QGZVFWFLSA-N 1 1 331.460 2.997 20 10 EFCDMO Cc1n[nH]c(=O)c(C[NH2+]Cc2cccc(Br)c2O)c1C ZINC001323472885 1329545377 /nfs/dbraw/zinc/54/53/77/1329545377.db2.gz QLKDAWNAXDSHHV-UHFFFAOYSA-N 1 1 338.205 2.557 20 10 EFCDMO C[NH+]1CCN(c2ccc(CNc3ccc(F)c(N)c3)cc2F)CC1 ZINC001325626403 1329702255 /nfs/dbraw/zinc/70/22/55/1329702255.db2.gz PRABDZGCMWXNOU-UHFFFAOYSA-N 1 1 332.398 2.911 20 10 EFCDMO CS(=O)(=O)CC1CC[NH+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001326126249 1329734207 /nfs/dbraw/zinc/73/42/07/1329734207.db2.gz NGHLBXGEYILYMY-UHFFFAOYSA-N 1 1 336.501 2.543 20 10 EFCDMO COc1ccc(N(C)CC[N@@H+](C)Cc2ccnn2CC2CC2)cc1 ZINC001327891544 1330527233 /nfs/dbraw/zinc/52/72/33/1330527233.db2.gz LQXVPQZBGYOHIU-UHFFFAOYSA-N 1 1 328.460 2.870 20 10 EFCDMO CN(Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)c1cccc(O)c1 ZINC001328006736 1330540805 /nfs/dbraw/zinc/54/08/05/1330540805.db2.gz QAKMBBVDIFACAD-UHFFFAOYSA-N 1 1 329.419 2.920 20 10 EFCDMO CO[C@@H]1CCC[N@@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)CC1 ZINC001328654823 1330612658 /nfs/dbraw/zinc/61/26/58/1330612658.db2.gz FIGWGSJMEDSOBR-QGZVFWFLSA-N 1 1 335.467 2.578 20 10 EFCDMO CCC[N@H+]1CC[C@H](NC(=O)c2cc(C)n(-c3ccccn3)c2C)C1 ZINC001331414368 1330834737 /nfs/dbraw/zinc/83/47/37/1330834737.db2.gz UCJNAGKTFQWSFN-INIZCTEOSA-N 1 1 326.444 2.703 20 10 EFCDMO NC(=O)[C@@]1(c2ccccc2)CC[N@@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001331503237 1330844562 /nfs/dbraw/zinc/84/45/62/1330844562.db2.gz LIOWNZICFAYAOW-QFIPXVFZSA-N 1 1 349.478 2.916 20 10 EFCDMO OCC[C@H]([NH2+]Cc1c(O)cccc1Br)c1ccco1 ZINC001334903608 1331328649 /nfs/dbraw/zinc/32/86/49/1331328649.db2.gz VAAIHZZQNMHDOO-LBPRGKRZSA-N 1 1 326.190 2.961 20 10 EFCDMO COc1ccc(N2CCC([NH2+]Cc3nc(C(F)F)no3)CC2)cc1 ZINC001335549650 1331371447 /nfs/dbraw/zinc/37/14/47/1331371447.db2.gz CZFGZFICCVJCOC-UHFFFAOYSA-N 1 1 338.358 2.774 20 10 EFCDMO Nc1ccc(CNC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001336090320 1331434063 /nfs/dbraw/zinc/43/40/63/1331434063.db2.gz KKUXUKWJDQEDRX-GOSISDBHSA-N 1 1 338.455 2.590 20 10 EFCDMO Nc1ccc(C[N@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)cc1 ZINC001336118650 1331437116 /nfs/dbraw/zinc/43/71/16/1331437116.db2.gz ZCGIOQFSWSOGLT-INIZCTEOSA-N 1 1 325.460 2.966 20 10 EFCDMO CCN(CC)C(=O)N1CC[NH+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001337001552 1331525782 /nfs/dbraw/zinc/52/57/82/1331525782.db2.gz VPFYSQCIKSWEAJ-UHFFFAOYSA-N 1 1 344.503 2.866 20 10 EFCDMO C[C@H]([NH2+]Cc1ccccc1N1CCN(C)CC1)c1ccccc1O ZINC001337613324 1331587436 /nfs/dbraw/zinc/58/74/36/1331587436.db2.gz VOESTHSWTSAECJ-INIZCTEOSA-N 1 1 325.456 2.995 20 10 EFCDMO CCc1ccc(NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)[nH+]c1 ZINC001337739974 1331595888 /nfs/dbraw/zinc/59/58/88/1331595888.db2.gz GQLDBUHIWKAWNG-KRWDZBQOSA-N 1 1 338.455 2.958 20 10 EFCDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCc1ccc(N)cc1 ZINC001338580601 1331717882 /nfs/dbraw/zinc/71/78/82/1331717882.db2.gz AUPSQVBNZKDCRA-BEFAXECRSA-N 1 1 338.455 2.589 20 10 EFCDMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(C3SC=CC3=O)n2CC)C1 ZINC001340027115 1332129835 /nfs/dbraw/zinc/12/98/35/1332129835.db2.gz XCNMYXHHZHVJJZ-CYBMUJFWSA-N 1 1 349.504 2.900 20 10 EFCDMO CC[C@@H]1CO[C@@H](C)CN1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001341523429 1332265130 /nfs/dbraw/zinc/26/51/30/1332265130.db2.gz BFKPFFHVWVDNSB-DOTOQJQBSA-N 1 1 335.467 2.577 20 10 EFCDMO CC[C@H]1CO[C@H](C)CN1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001341523434 1332265610 /nfs/dbraw/zinc/26/56/10/1332265610.db2.gz BFKPFFHVWVDNSB-WBVHZDCISA-N 1 1 335.467 2.577 20 10 EFCDMO CCN(Cc1ccc(N(C)C)cc1)C(=O)c1nc(C[NH3+])sc1C ZINC001341794722 1332284482 /nfs/dbraw/zinc/28/44/82/1332284482.db2.gz GGDMJBNOPQFICE-UHFFFAOYSA-N 1 1 332.473 2.639 20 10 EFCDMO Cc1cc(=O)[nH]c(C=Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)n1 ZINC001342253076 1332324504 /nfs/dbraw/zinc/32/45/04/1332324504.db2.gz DVSLGRMRTBTPHK-XQRVVYSFSA-N 1 1 328.391 2.552 20 10 EFCDMO CN(C)c1ncccc1C[NH2+]Cc1cccc(Br)c1O ZINC001343227618 1332342792 /nfs/dbraw/zinc/34/27/92/1332342792.db2.gz RRBXXCJJANVNNS-UHFFFAOYSA-N 1 1 336.233 2.906 20 10 EFCDMO Cn1ccnc1[C@@H]([NH2+]Cc1ccc(N2CCCC2)cc1)C(C)(C)CO ZINC001344076167 1332401059 /nfs/dbraw/zinc/40/10/59/1332401059.db2.gz UIGJYPXEBFGSPW-GOSISDBHSA-N 1 1 342.487 2.870 20 10 EFCDMO CS(=O)(=O)C[C@H]1CCCC[N@@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001347794032 1332773942 /nfs/dbraw/zinc/77/39/42/1332773942.db2.gz OFPFILUFVNCBTQ-GOSISDBHSA-N 1 1 336.501 2.686 20 10 EFCDMO CS(=O)(=O)C[C@H]1CCCC[N@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001347794032 1332773943 /nfs/dbraw/zinc/77/39/43/1332773943.db2.gz OFPFILUFVNCBTQ-GOSISDBHSA-N 1 1 336.501 2.686 20 10 EFCDMO CCOc1ccc(N2CC[NH+](CCn3cc(Cl)cn3)CC2)cc1 ZINC001348070246 1332797703 /nfs/dbraw/zinc/79/77/03/1332797703.db2.gz AXOZKFIDSJBGKU-UHFFFAOYSA-N 1 1 334.851 2.757 20 10 EFCDMO Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CC[C@@H]2C[C@@H](C)C[N@@H+]2C1 ZINC001348861155 1332877814 /nfs/dbraw/zinc/87/78/14/1332877814.db2.gz QLNCPBBQSMTSOW-LSBZLQRGSA-N 1 1 329.488 2.798 20 10 EFCDMO C[C@@H]1C[C@@H]2CC[C@@H](C(=O)N(C)Cc3ccc(N(C)C)cc3)C[N@H+]2C1 ZINC001350841943 1333140242 /nfs/dbraw/zinc/14/02/42/1333140242.db2.gz KHPWJFBCALISQN-SUMDDJOVSA-N 1 1 329.488 2.831 20 10 EFCDMO COc1ccc(C[N@H+]2CCC[C@H](Cc3nccn3C)C2)c(O)c1OC ZINC001352015612 1333353122 /nfs/dbraw/zinc/35/31/22/1333353122.db2.gz HCFIWXXNUUOKCS-CQSZACIVSA-N 1 1 345.443 2.598 20 10 EFCDMO CN(C)c1ccc(CNC(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1F ZINC000847301713 1333508477 /nfs/dbraw/zinc/50/84/77/1333508477.db2.gz BUZRIZOEHTWCOW-WMZOPIPTSA-N 1 1 348.466 2.708 20 10 EFCDMO COc1ccc(O)c(CNC(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)c1 ZINC000847590765 1333962016 /nfs/dbraw/zinc/96/20/16/1333962016.db2.gz GZBSKPHXEVAVNV-QGZVFWFLSA-N 1 1 348.830 2.973 20 10 EFCDMO CCO/C=C/C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000847590969 1333962028 /nfs/dbraw/zinc/96/20/28/1333962028.db2.gz LTEWOCRVTSRUCV-HEWZJLJBSA-N 1 1 338.835 2.676 20 10 EFCDMO CCO/C=C\C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000847590972 1333962356 /nfs/dbraw/zinc/96/23/56/1333962356.db2.gz LTEWOCRVTSRUCV-VIHMKRCTSA-N 1 1 338.835 2.676 20 10 EFCDMO OC1CCN(c2ccc(C[NH2+][C@H]3CCCn4ccnc43)cc2F)CC1 ZINC000848523352 1334771953 /nfs/dbraw/zinc/77/19/53/1334771953.db2.gz AXKZBNYJFINJFT-KRWDZBQOSA-N 1 1 344.434 2.608 20 10 EFCDMO Fc1cc(C[NH2+][C@@H]2CCCn3ccnc32)cc(F)c1N1CCOCC1 ZINC000848551678 1334791470 /nfs/dbraw/zinc/79/14/70/1334791470.db2.gz ARNHALRYYALBQJ-MRXNPFEDSA-N 1 1 348.397 2.623 20 10 EFCDMO C[C@@H]([NH2+][C@@H]1CCc2c(nnn2C)C1)c1cccc(C(F)(F)F)c1O ZINC000848562394 1334796133 /nfs/dbraw/zinc/79/61/33/1334796133.db2.gz CVYCDVPQKOGLFS-NXEZZACHSA-N 1 1 340.349 2.748 20 10 EFCDMO CCc1cccc(C[N@@H+](C)C[C@@H](O)COCc2ccccc2)c1O ZINC000848883513 1334959529 /nfs/dbraw/zinc/95/95/29/1334959529.db2.gz OZUFDCMMUKWMHO-LJQANCHMSA-N 1 1 329.440 2.964 20 10 EFCDMO CCc1cccc(C[N@H+]2CCC[C@H](CNC(=O)C(F)(F)F)C2)c1O ZINC000848913313 1334981901 /nfs/dbraw/zinc/98/19/01/1334981901.db2.gz UBDVXMDUFIRNTJ-GFCCVEGCSA-N 1 1 344.377 2.845 20 10 EFCDMO COCCN(Cc1c(O)ccc(Cl)c1F)C[C@@H](O)C(F)(F)F ZINC000848922475 1334988211 /nfs/dbraw/zinc/98/82/11/1334988211.db2.gz UAVWBUTZWAEWET-LLVKDONJSA-N 1 1 345.720 2.556 20 10 EFCDMO [O-]c1ccc(Cl)c(F)c1C[N@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000848930668 1334994197 /nfs/dbraw/zinc/99/41/97/1334994197.db2.gz VFBZCYNMCLKPEE-ZDUSSCGKSA-N 1 1 342.842 2.871 20 10 EFCDMO CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cc(Cl)cc(Cl)c1[O-] ZINC000849077858 1335070171 /nfs/dbraw/zinc/07/01/71/1335070171.db2.gz QSLNFZIXVDTIOW-LBPRGKRZSA-N 1 1 345.274 2.797 20 10 EFCDMO C[C@H]1CCCN(C(=[NH2+])NCc2cccc(Br)c2O)C1 ZINC000849105555 1335552865 /nfs/dbraw/zinc/55/28/65/1335552865.db2.gz UQBGHAQFNXMNGO-JTQLQIEISA-N 1 1 326.238 2.911 20 10 EFCDMO NC(=O)N=Nc1ccc(C(=O)N[C@H]2CC[N@@H+](CCCCCF)C2)cc1 ZINC001690112810 1417156592 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CN(C)c1ccc(CN(C)C(=O)C[N@@H+](C)C(C2CC2)C2CC2)cc1 ZINC000051558016 715404374 /nfs/dbraw/zinc/40/43/74/715404374.db2.gz FVMUSJIRRWAMBQ-UHFFFAOYSA-N 1 1 329.488 2.831 20 10 EFCDMO COc1cc(C(=O)N[C@@H]2CC[N@@H+](CC=C(C)C)[C@H](C)C2)cc(OC)n1 ZINC000947497406 715411617 /nfs/dbraw/zinc/41/16/17/715411617.db2.gz IMQRSWIPSZOQDG-GDBMZVCRSA-N 1 1 347.459 2.648 20 10 EFCDMO CC1(C)CC[C@H](CO)[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000895923838 724396088 /nfs/dbraw/zinc/39/60/88/724396088.db2.gz LYROMNOQYNWSRJ-GOSISDBHSA-N 1 1 332.488 2.631 20 10 EFCDMO CC1(C)CC[C@H](CO)[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000895925528 724396492 /nfs/dbraw/zinc/39/64/92/724396492.db2.gz BZICKEVLOTZIRH-MRXNPFEDSA-N 1 1 336.451 2.645 20 10 EFCDMO Cc1cc(C[N@@H+](C)[C@@H]2CCS(=O)(=O)C2)c(O)c(C(C)(C)C)c1 ZINC000054866180 715784203 /nfs/dbraw/zinc/78/42/03/715784203.db2.gz YAXBKKSBNGUPJU-CQSZACIVSA-N 1 1 325.474 2.617 20 10 EFCDMO Cc1cc(C[N@H+](C)[C@@H]2CCS(=O)(=O)C2)c(O)c(C(C)(C)C)c1 ZINC000054866180 715784207 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CCC(CC)[N@H+](CCOC)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278325673 474609289 /nfs/dbraw/zinc/60/92/89/474609289.db2.gz YPHRWISBIVKFPJ-UHFFFAOYSA-N 1 1 326.393 2.946 20 10 EFCDMO CCC(CC)[N@@H+](CCOC)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278325673 474609292 /nfs/dbraw/zinc/60/92/92/474609292.db2.gz YPHRWISBIVKFPJ-UHFFFAOYSA-N 1 1 326.393 2.946 20 10 EFCDMO CCOc1cccc(C[N@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)c1O ZINC000278340354 474615297 /nfs/dbraw/zinc/61/52/97/474615297.db2.gz HQRGDDUSOIXZKA-WFASDCNBSA-N 1 1 333.350 2.926 20 10 EFCDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000267313113 474646005 /nfs/dbraw/zinc/64/60/05/474646005.db2.gz MZUOTONNJBKVCI-QGZVFWFLSA-N 1 1 344.503 2.552 20 10 EFCDMO CN(C)c1ncc(C[NH2+]Cc2cccc(Br)c2O)s1 ZINC000278454266 474648536 /nfs/dbraw/zinc/64/85/36/474648536.db2.gz YMYMFYFXPMGOTP-UHFFFAOYSA-N 1 1 342.262 2.967 20 10 EFCDMO COc1c(O)c(C[NH2+]C[C@H](CCO)c2ccccc2)ccc1[N+](=O)[O-] ZINC000278464670 474651812 /nfs/dbraw/zinc/65/18/12/474651812.db2.gz FUTAQQJGYGBCCC-AWEZNQCLSA-N 1 1 346.383 2.565 20 10 EFCDMO COc1c(O)c(C[NH2+][C@@H]2CCO[C@@H](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000278539818 474690271 /nfs/dbraw/zinc/69/02/71/474690271.db2.gz WYNPRGIIBAYVAR-TZMCWYRMSA-N 1 1 338.404 2.992 20 10 EFCDMO CC(=O)N1CCC([N@@H+](Cc2cncs2)Cc2ccccc2O)CC1 ZINC000292881709 474693740 /nfs/dbraw/zinc/69/37/40/474693740.db2.gz XUEBMNZJHXYIPO-UHFFFAOYSA-N 1 1 345.468 2.862 20 10 EFCDMO CCCC[N@H+](Cc1ccccc1O)C[C@@H]1CCCS(=O)(=O)C1 ZINC000284765757 474759771 /nfs/dbraw/zinc/75/97/71/474759771.db2.gz MKRBCKBDENFSGZ-HNNXBMFYSA-N 1 1 325.474 2.819 20 10 EFCDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1Cc1ccc(N(C)C)c(F)c1 ZINC000278711489 474789626 /nfs/dbraw/zinc/78/96/26/474789626.db2.gz PWTAKIBGWVQSLU-OAHLLOKOSA-N 1 1 335.467 2.577 20 10 EFCDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1Cc1ccc(N(C)C)c(F)c1 ZINC000278711485 474790452 /nfs/dbraw/zinc/79/04/52/474790452.db2.gz PWTAKIBGWVQSLU-HNNXBMFYSA-N 1 1 335.467 2.577 20 10 EFCDMO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000268136296 474818511 /nfs/dbraw/zinc/81/85/11/474818511.db2.gz JNNORTFPJGXLJW-HNAYVOBHSA-N 1 1 344.503 2.767 20 10 EFCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C2CCC3(CC2)OCCO3)c1 ZINC000273365845 474861701 /nfs/dbraw/zinc/86/17/01/474861701.db2.gz FADWZZDTPYDFHN-GFCCVEGCSA-N 1 1 335.400 2.515 20 10 EFCDMO COc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)cc1F ZINC000278840389 474864494 /nfs/dbraw/zinc/86/44/94/474864494.db2.gz JWAPJKCPEUFTJK-UHFFFAOYSA-N 1 1 336.319 2.747 20 10 EFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCc2cn3ccccc3n2)c1 ZINC000273373728 474866687 /nfs/dbraw/zinc/86/66/87/474866687.db2.gz GUDWUFCTVRLYAB-ZDUSSCGKSA-N 1 1 339.395 2.720 20 10 EFCDMO Cc1c(/C=C\C(=O)N2C[C@@H]3CCC[N@H+]3Cc3ccccc32)cnn1C ZINC000255617152 474880656 /nfs/dbraw/zinc/88/06/56/474880656.db2.gz OPBFTHVKEHZARP-LPADLIQXSA-N 1 1 336.439 2.753 20 10 EFCDMO Cc1cc(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)c(C)n1-c1ccccn1 ZINC000268238816 474880804 /nfs/dbraw/zinc/88/08/04/474880804.db2.gz OKPOERWMBFJJGH-FZKQIMNGSA-N 1 1 338.455 2.702 20 10 EFCDMO COc1c(O)c(C[NH2+]Cc2ccc([C@H](C)O)cc2)ccc1[N+](=O)[O-] ZINC000278863248 474881230 /nfs/dbraw/zinc/88/12/30/474881230.db2.gz MDHZJWNKDTYZMD-NSHDSACASA-N 1 1 332.356 2.652 20 10 EFCDMO CC[C@H]1CCCCN1CC[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278870712 474885443 /nfs/dbraw/zinc/88/54/43/474885443.db2.gz MWACHWDEFJLGPE-AWEZNQCLSA-N 1 1 337.420 2.663 20 10 EFCDMO COc1c(O)c(C[NH2+]CCSC(F)(F)F)ccc1[N+](=O)[O-] ZINC000278880463 474890329 /nfs/dbraw/zinc/89/03/29/474890329.db2.gz OBEOYHZAMKMKAG-UHFFFAOYSA-N 1 1 326.296 2.652 20 10 EFCDMO CCCOc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)cn1 ZINC000278902503 474904855 /nfs/dbraw/zinc/90/48/55/474904855.db2.gz RIPIANWGZZPUEN-UHFFFAOYSA-N 1 1 347.371 2.783 20 10 EFCDMO COc1c(O)c(C[NH2+]C[C@@H]2CCOc3ccccc32)ccc1[N+](=O)[O-] ZINC000278931205 474923678 /nfs/dbraw/zinc/92/36/78/474923678.db2.gz WHHWJQQZUSISNF-LBPRGKRZSA-N 1 1 344.367 2.965 20 10 EFCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CSCCS2)c1 ZINC000273591914 474979031 /nfs/dbraw/zinc/97/90/31/474979031.db2.gz PMBYZADBPPHRMF-ZYHUDNBSSA-N 1 1 327.471 2.678 20 10 EFCDMO C[C@@H](C[S@@](C)=O)[N@@H+](C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000279556677 474980503 /nfs/dbraw/zinc/98/05/03/474980503.db2.gz AZRMLBKHSYYUEL-KPWVOAKYSA-N 1 1 336.423 2.970 20 10 EFCDMO C[C@@H]1OCC[C@]12C[N@H+](Cc1cc(Br)ccc1O)CCO2 ZINC000279609904 474981686 /nfs/dbraw/zinc/98/16/86/474981686.db2.gz FMANCIPILGRYCY-NHYWBVRUSA-N 1 1 342.233 2.535 20 10 EFCDMO C[C@@H]1OCC[C@]12C[N@@H+](Cc1cc(Br)ccc1O)CCO2 ZINC000279609904 474981690 /nfs/dbraw/zinc/98/16/90/474981690.db2.gz FMANCIPILGRYCY-NHYWBVRUSA-N 1 1 342.233 2.535 20 10 EFCDMO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)c1 ZINC000273622759 474994234 /nfs/dbraw/zinc/99/42/34/474994234.db2.gz ZOJGCTCLCDALJS-GJZGRUSLSA-N 1 1 334.460 2.950 20 10 EFCDMO COCCC[N@@H+](CCO)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000280302674 475020070 /nfs/dbraw/zinc/02/00/70/475020070.db2.gz BIRMHYVTODUFAR-UHFFFAOYSA-N 1 1 334.382 2.602 20 10 EFCDMO COC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC000293555021 475037247 /nfs/dbraw/zinc/03/72/47/475037247.db2.gz LNPBRYMDDYWVQG-INIZCTEOSA-N 1 1 344.377 2.988 20 10 EFCDMO C[C@H]([NH2+]C[C@H](CO)[C@H]1CCOC1)c1cc(Cl)c(Cl)cc1O ZINC000280912747 475055973 /nfs/dbraw/zinc/05/59/73/475055973.db2.gz QOJZJCHMZQPOTM-GARJFASQSA-N 1 1 334.243 2.995 20 10 EFCDMO C[C@H]([NH2+]C[C@@H](CO)[C@H]1CCOC1)c1cc(Cl)c(Cl)cc1O ZINC000280912741 475056166 /nfs/dbraw/zinc/05/61/66/475056166.db2.gz QOJZJCHMZQPOTM-DCAQKATOSA-N 1 1 334.243 2.995 20 10 EFCDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@@H](c3nnc(C)[nH]3)C2)c1O ZINC000273815527 475064680 /nfs/dbraw/zinc/06/46/80/475064680.db2.gz ZQDGRQBKHYKGJA-LLVKDONJSA-N 1 1 336.823 2.860 20 10 EFCDMO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](c3nc(C)n[nH]3)C2)c1O ZINC000273815527 475064693 /nfs/dbraw/zinc/06/46/93/475064693.db2.gz ZQDGRQBKHYKGJA-LLVKDONJSA-N 1 1 336.823 2.860 20 10 EFCDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@@H](c3nc(C)n[nH]3)C2)c1O ZINC000273815527 475064703 /nfs/dbraw/zinc/06/47/03/475064703.db2.gz ZQDGRQBKHYKGJA-LLVKDONJSA-N 1 1 336.823 2.860 20 10 EFCDMO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](c3n[nH]c(C)n3)C2)c1O ZINC000273815527 475064709 /nfs/dbraw/zinc/06/47/09/475064709.db2.gz ZQDGRQBKHYKGJA-LLVKDONJSA-N 1 1 336.823 2.860 20 10 EFCDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@@H](c3n[nH]c(C)n3)C2)c1O ZINC000273815527 475064720 /nfs/dbraw/zinc/06/47/20/475064720.db2.gz ZQDGRQBKHYKGJA-LLVKDONJSA-N 1 1 336.823 2.860 20 10 EFCDMO Cc1cc(CN2CC[N@@H+](C3CCOCC3)C[C@H]2C)ccc1N(C)C ZINC000294324047 475067203 /nfs/dbraw/zinc/06/72/03/475067203.db2.gz YDELLOUIHMUSPA-QGZVFWFLSA-N 1 1 331.504 2.746 20 10 EFCDMO COC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000286506657 475068153 /nfs/dbraw/zinc/06/81/53/475068153.db2.gz MPBSSQVOGXUXIP-HNNXBMFYSA-N 1 1 330.350 2.680 20 10 EFCDMO CN(Cc1cccs1)c1ccc(C[N@H+]2CC[C@H](C(N)=O)C2)cc1 ZINC000294517058 475069157 /nfs/dbraw/zinc/06/91/57/475069157.db2.gz DWEJOEAZKVHRJF-HNNXBMFYSA-N 1 1 329.469 2.692 20 10 EFCDMO CN(Cc1cccs1)c1ccc(C[N@H+]2CC[C@@H](C(N)=O)C2)cc1 ZINC000294517062 475069969 /nfs/dbraw/zinc/06/99/69/475069969.db2.gz DWEJOEAZKVHRJF-OAHLLOKOSA-N 1 1 329.469 2.692 20 10 EFCDMO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)c1O ZINC000286740385 475077201 /nfs/dbraw/zinc/07/72/01/475077201.db2.gz YDPOBTHTLYSKOS-SMDDNHRTSA-N 1 1 349.324 2.727 20 10 EFCDMO CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)c1O ZINC000286740385 475077209 /nfs/dbraw/zinc/07/72/09/475077209.db2.gz YDPOBTHTLYSKOS-SMDDNHRTSA-N 1 1 349.324 2.727 20 10 EFCDMO Fc1cc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)c(F)cn1 ZINC000294682281 475078790 /nfs/dbraw/zinc/07/87/90/475078790.db2.gz ADLVKBLADRWKSH-UHFFFAOYSA-N 1 1 337.345 2.625 20 10 EFCDMO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H](OCc3ccncc3)C2)c1O ZINC000281134676 475084904 /nfs/dbraw/zinc/08/49/04/475084904.db2.gz YSDMPMGUICZTSO-QGZVFWFLSA-N 1 1 344.386 2.920 20 10 EFCDMO C[C@@H]1[C@@H](NC(=O)NCc2ccccc2O)CC[N@H+]1Cc1ccccc1 ZINC000287452656 475153403 /nfs/dbraw/zinc/15/34/03/475153403.db2.gz IEAOOZRQTUZKCW-QAPCUYQASA-N 1 1 339.439 2.854 20 10 EFCDMO C[C@H]1[C@H](NC(=O)NCc2ccccc2O)CC[N@H+]1Cc1ccccc1 ZINC000287452655 475153673 /nfs/dbraw/zinc/15/36/73/475153673.db2.gz IEAOOZRQTUZKCW-MAUKXSAKSA-N 1 1 339.439 2.854 20 10 EFCDMO C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCC[N@H+]1Cc1cccc(F)c1[O-] ZINC000292803926 475203820 /nfs/dbraw/zinc/20/38/20/475203820.db2.gz NXCJTMSVYLQNJN-BXKDBHETSA-N 1 1 334.313 2.563 20 10 EFCDMO Cc1c2ccccc2n(C)c1CNC(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000348634985 475789704 /nfs/dbraw/zinc/78/97/04/475789704.db2.gz KNCJGQXFWVDABY-CQSZACIVSA-N 1 1 331.485 2.540 20 10 EFCDMO Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000349702868 475987885 /nfs/dbraw/zinc/98/78/85/475987885.db2.gz NMTZYTDETNGJFO-UKRRQHHQSA-N 1 1 340.471 2.911 20 10 EFCDMO Cc1c2ccccc2n(C)c1CNC(=O)NCC[N@@H+]1CC=C(C)CC1 ZINC000349973984 476026403 /nfs/dbraw/zinc/02/64/03/476026403.db2.gz ZAEVHHXQOMFRMY-UHFFFAOYSA-N 1 1 340.471 2.938 20 10 EFCDMO Cc1c2ccccc2n(C)c1CNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000350090415 476044346 /nfs/dbraw/zinc/04/43/46/476044346.db2.gz DQDOWCZHHKHOSB-ZBFHGGJFSA-N 1 1 340.471 2.865 20 10 EFCDMO Cc1c2ccccc2n(C)c1CNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000350090413 476044731 /nfs/dbraw/zinc/04/47/31/476044731.db2.gz DQDOWCZHHKHOSB-GOEBONIOSA-N 1 1 340.471 2.865 20 10 EFCDMO CN(Cc1ccccc1O)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000299117356 476135260 /nfs/dbraw/zinc/13/52/60/476135260.db2.gz SSVLRJUIUSMPHE-UHFFFAOYSA-N 1 1 345.468 2.653 20 10 EFCDMO CN(Cc1ccccc1O)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000299117356 476135270 /nfs/dbraw/zinc/13/52/70/476135270.db2.gz SSVLRJUIUSMPHE-UHFFFAOYSA-N 1 1 345.468 2.653 20 10 EFCDMO COc1cc(C[N@@H+](C)Cc2cc3c(cc2O)OCO3)cc(OC)c1 ZINC000299123529 476135798 /nfs/dbraw/zinc/13/57/98/476135798.db2.gz ANGHHZMXEJQIAS-UHFFFAOYSA-N 1 1 331.368 2.770 20 10 EFCDMO Cc1cc(O)c(C[N@@H+]2CCC[C@H]2C[C@H](O)c2cnn(C)c2)cc1C ZINC000374257938 476463797 /nfs/dbraw/zinc/46/37/97/476463797.db2.gz SOSXMBSKXXGZSV-HKUYNNGSSA-N 1 1 329.444 2.831 20 10 EFCDMO NC(=O)[C@H]1CC[N@@H+](Cc2ccc3c(c2)CCN3Cc2ccccc2)C1 ZINC000377615050 476474406 /nfs/dbraw/zinc/47/44/06/476474406.db2.gz KQYYZWIHFUAUTL-IBGZPJMESA-N 1 1 335.451 2.557 20 10 EFCDMO COc1ccc(N2CCC[N@H+](Cc3cn(C(C)C)nn3)CC2)cc1 ZINC000377617682 476476280 /nfs/dbraw/zinc/47/62/80/476476280.db2.gz SLBHBYLPYHJEED-UHFFFAOYSA-N 1 1 329.448 2.580 20 10 EFCDMO COc1ccc(N2CCC[N@@H+](Cc3cn(C(C)C)nn3)CC2)cc1 ZINC000377617682 476476288 /nfs/dbraw/zinc/47/62/88/476476288.db2.gz SLBHBYLPYHJEED-UHFFFAOYSA-N 1 1 329.448 2.580 20 10 EFCDMO Oc1ccc2c(c1)OCC[N@@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC000377626183 476484145 /nfs/dbraw/zinc/48/41/45/476484145.db2.gz LVCXIKFEJVWARN-UHFFFAOYSA-N 1 1 340.423 2.623 20 10 EFCDMO Oc1ccc2c(c1)OCC[N@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC000377626183 476484151 /nfs/dbraw/zinc/48/41/51/476484151.db2.gz 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Cc1ccc(C(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)c(O)c1O ZINC000371575111 477393839 /nfs/dbraw/zinc/39/38/39/477393839.db2.gz ZAUPNFPDLSJIRF-INIZCTEOSA-N 1 1 340.423 2.753 20 10 EFCDMO CCOc1cccc(C[N@H+]2CCC[C@@H](N3CCCCC3=O)C2)c1O ZINC000372413703 477795112 /nfs/dbraw/zinc/79/51/12/477795112.db2.gz PKZHRESKWIQINS-MRXNPFEDSA-N 1 1 332.444 2.768 20 10 EFCDMO Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000471671242 478007393 /nfs/dbraw/zinc/00/73/93/478007393.db2.gz MEEJHRCGYQRGOH-HZPDHXFCSA-N 1 1 340.471 2.913 20 10 EFCDMO Cc1c2ccccc2n(C)c1CNC(=O)N1CC[N@H+](C)C[C@@H]1C(C)C ZINC000472280757 478014538 /nfs/dbraw/zinc/01/45/38/478014538.db2.gz AZWIFSFZWBZPEH-LJQANCHMSA-N 1 1 342.487 2.968 20 10 EFCDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)NCc1c(C)c2ccccc2n1C ZINC000521567299 478376758 /nfs/dbraw/zinc/37/67/58/478376758.db2.gz YDOUNDQOJJJYRQ-OAHLLOKOSA-N 1 1 328.460 2.722 20 10 EFCDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)NCc1c(C)c2ccccc2n1C ZINC000521567292 478377100 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1 1 330.428 2.631 20 10 EFCDMO CCCCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ccc(O)c(O)c1 ZINC001272903349 1261296092 /nfs/dbraw/zinc/29/60/92/1261296092.db2.gz RCBHTNXTKZWAAX-LJQANCHMSA-N 1 1 332.444 2.855 20 10 EFCDMO CC(C)CN1CC[C@@]2(CCC[N@H+]2Cc2ccc(N(C)C)cc2)C1=O ZINC001272916759 1261327623 /nfs/dbraw/zinc/32/76/23/1261327623.db2.gz LDYCXLCAUYEQTA-FQEVSTJZSA-N 1 1 329.488 2.976 20 10 EFCDMO CC(C)CN1CC[C@@]2(CC[N@@H+](Cc3ccc(N(C)C)cc3)C2)C1=O ZINC001272916942 1261328961 /nfs/dbraw/zinc/32/89/61/1261328961.db2.gz NLZAVQPWDKOCDT-HXUWFJFHSA-N 1 1 329.488 2.833 20 10 EFCDMO Cc1cc(C(=O)N2[C@@H]3CC[C@H]2CC[N@H+](C)C3)c(C)n1-c1ccccn1 ZINC000923303749 1261436975 /nfs/dbraw/zinc/43/69/75/1261436975.db2.gz KAGMJXWQMOGVOR-DLBZAZTESA-N 1 1 338.455 2.798 20 10 EFCDMO COc1cccc(O)c1CNCC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000730817051 1264452543 /nfs/dbraw/zinc/45/25/43/1264452543.db2.gz FBCJLMOBXJIJSH-UHFFFAOYSA-N 1 1 348.487 2.914 20 10 EFCDMO O=C1N(CC2CCCC2)CC[C@@]12CC[N@H+](Cc1ccc(O)cc1O)C2 ZINC001272988234 1264742785 /nfs/dbraw/zinc/74/27/85/1264742785.db2.gz OMCIQHHKFVCEQR-HXUWFJFHSA-N 1 1 344.455 2.712 20 10 EFCDMO O=C1N(CC2CCCC2)CC[C@@]12CCC[N@@H+]2Cc1ccc(O)cc1O ZINC001272988184 1264742946 /nfs/dbraw/zinc/74/29/46/1264742946.db2.gz NXANZYSVKSAHRZ-FQEVSTJZSA-N 1 1 344.455 2.855 20 10 EFCDMO CN(C)c1ccc(CNC2CC[NH+](C[C@H]3CCCO3)CC2)cc1F ZINC000733329113 1265171126 /nfs/dbraw/zinc/17/11/26/1265171126.db2.gz MXRSNBZHQCVRHK-QGZVFWFLSA-N 1 1 335.467 2.625 20 10 EFCDMO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(C)cc(Br)c1O ZINC000824701894 1278254819 /nfs/dbraw/zinc/25/48/19/1278254819.db2.gz DQEDBFQVGWMBEE-YPMHNXCESA-N 1 1 342.233 2.894 20 10 EFCDMO COc1cc(C[N@H+]2CCC[C@H](OCCO)C2)c(O)c(C(C)(C)C)c1 ZINC000824769362 1278274340 /nfs/dbraw/zinc/27/43/40/1278274340.db2.gz UALCLDFDNBTZQI-HNNXBMFYSA-N 1 1 337.460 2.672 20 10 EFCDMO COc1c(O)c(C[NH2+]C[C@@](C)(OC)c2ccccc2)ccc1[N+](=O)[O-] ZINC000824780451 1278280544 /nfs/dbraw/zinc/28/05/44/1278280544.db2.gz PCGCATAQOGUYLS-GOSISDBHSA-N 1 1 346.383 2.960 20 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/nfs/dbraw/zinc/00/67/10/1267006710.db2.gz OLXGCORXTQPMQR-SFHVURJKSA-N 1 1 332.492 2.735 20 10 EFCDMO Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000734652676 1267055094 /nfs/dbraw/zinc/05/50/94/1267055094.db2.gz XNBAQNZZOBXSOQ-INIZCTEOSA-N 1 1 332.492 2.591 20 10 EFCDMO Cc1cc(N(C)C)ccc1CNC(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000734661389 1267057615 /nfs/dbraw/zinc/05/76/15/1267057615.db2.gz LNAGZVGRVWXKCX-DOTOQJQBSA-N 1 1 346.519 2.981 20 10 EFCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@@]23CCN(C)C3=O)c(OC)c1 ZINC001273326243 1267397796 /nfs/dbraw/zinc/39/77/96/1267397796.db2.gz YHOIHIXFONESPT-FQEVSTJZSA-N 1 1 345.487 2.738 20 10 EFCDMO CN1CCN(c2ccc(C[N@@H+]3CCSC[C@@H]3C3CC3)cc2)CC1 ZINC000824914545 1278341937 /nfs/dbraw/zinc/34/19/37/1278341937.db2.gz UNVCVKYUXGYBIF-LJQANCHMSA-N 1 1 331.529 2.766 20 10 EFCDMO CN1CCN(c2ccc(C[N@H+]3CCSC[C@@H]3C3CC3)cc2)CC1 ZINC000824914545 1278341948 /nfs/dbraw/zinc/34/19/48/1278341948.db2.gz UNVCVKYUXGYBIF-LJQANCHMSA-N 1 1 331.529 2.766 20 10 EFCDMO O=S1(=O)CC[C@]2(C1)CCC[N@H+](Cc1c(O)ccc3ccccc31)C2 ZINC000824976966 1278375526 /nfs/dbraw/zinc/37/55/26/1278375526.db2.gz GITFYHKIKFMQPP-LJQANCHMSA-N 1 1 345.464 2.946 20 10 EFCDMO C[N@@H+](Cc1ccc(N2CCOCC2)c(F)c1)[C@@H](CO)CC(C)(C)C ZINC000825040997 1278392326 /nfs/dbraw/zinc/39/23/26/1278392326.db2.gz XYNZWTRKQNAJBL-MRXNPFEDSA-N 1 1 338.467 2.891 20 10 EFCDMO CN1CCN(c2ccc(C[N@H+](C)[C@H](CO)CC(C)(C)C)cc2)CC1 ZINC000825041031 1278394386 /nfs/dbraw/zinc/39/43/86/1278394386.db2.gz ZFIPXWRDZHRJCM-IBGZPJMESA-N 1 1 333.520 2.667 20 10 EFCDMO Cn1nccc1[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2O)CCO1 ZINC000825045625 1278396240 /nfs/dbraw/zinc/39/62/40/1278396240.db2.gz IEHSDKVQXXQDAC-MEDUHNTESA-N 1 1 339.798 2.928 20 10 EFCDMO CN1CCN(c2ccc(C[N@@H+](C)[C@H](CO)CC(C)(C)C)cc2)CC1 ZINC000825041031 1278394395 /nfs/dbraw/zinc/39/43/95/1278394395.db2.gz ZFIPXWRDZHRJCM-IBGZPJMESA-N 1 1 333.520 2.667 20 10 EFCDMO Cn1nccc1[C@@H]1C[C@H]([NH2+]Cc2c(O)ccc(Cl)c2F)CCO1 ZINC000825046622 1278395633 /nfs/dbraw/zinc/39/56/33/1278395633.db2.gz WFUGJUJGYNJWRZ-BMIGLBTASA-N 1 1 339.798 2.928 20 10 EFCDMO Cn1nccc1[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2O)CCO1 ZINC000825045626 1278395764 /nfs/dbraw/zinc/39/57/64/1278395764.db2.gz IEHSDKVQXXQDAC-ZBEGNZNMSA-N 1 1 339.798 2.928 20 10 EFCDMO CO[C@@H]1C[C@H]([N@H+](C)Cc2ccc(N3CCN(C)CC3)cc2)C12CCC2 ZINC000825104220 1278399143 /nfs/dbraw/zinc/39/91/43/1278399143.db2.gz RGMYYMVQTMHWCE-VQTJNVASSA-N 1 1 343.515 2.828 20 10 EFCDMO CO[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(N3CCN(C)CC3)cc2)C12CCC2 ZINC000825104220 1278399146 /nfs/dbraw/zinc/39/91/46/1278399146.db2.gz RGMYYMVQTMHWCE-VQTJNVASSA-N 1 1 343.515 2.828 20 10 EFCDMO C[C@@H](Cc1cccc(O)c1)[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000825124636 1278419019 /nfs/dbraw/zinc/41/90/19/1278419019.db2.gz VFZUJKXKMZNCPK-KRWDZBQOSA-N 1 1 339.483 2.865 20 10 EFCDMO COC[C@]1(CO)CC[N@@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000825158187 1278457205 /nfs/dbraw/zinc/45/72/05/1278457205.db2.gz HDVJYLXJTMZGEV-MRXNPFEDSA-N 1 1 346.393 2.602 20 10 EFCDMO COc1c(O)c(C[NH2+]CC(C)(C)C2(O)CCCC2)ccc1[N+](=O)[O-] ZINC000825239703 1278481564 /nfs/dbraw/zinc/48/15/64/1278481564.db2.gz CVNQINTUFUIMTJ-UHFFFAOYSA-N 1 1 338.404 2.730 20 10 EFCDMO CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2cc(Cl)c(C)cc2[O-])CC1 ZINC000825247892 1278484538 /nfs/dbraw/zinc/48/45/38/1278484538.db2.gz ZDXSAGIODKOLSX-AWEZNQCLSA-N 1 1 339.911 2.717 20 10 EFCDMO CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2cc(Cl)c(C)cc2[O-])CC1 ZINC000825247893 1278485169 /nfs/dbraw/zinc/48/51/69/1278485169.db2.gz ZDXSAGIODKOLSX-CQSZACIVSA-N 1 1 339.911 2.717 20 10 EFCDMO COc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)c1O ZINC000825289850 1278494001 /nfs/dbraw/zinc/49/40/01/1278494001.db2.gz GKJHJTBBEDAFGI-HIFRSBDPSA-N 1 1 348.443 2.842 20 10 EFCDMO CCN(C)c1ccc(C[NH+]2CCN(Cc3cc(C)on3)CC2)cc1 ZINC000741753451 1269687950 /nfs/dbraw/zinc/68/79/50/1269687950.db2.gz ZKEMKIRRJIWGHM-UHFFFAOYSA-N 1 1 328.460 2.757 20 10 EFCDMO C[C@@H](F)CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(N=NC(N)=O)cc2)C1 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C[C@@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817944152 1276390924 /nfs/dbraw/zinc/39/09/24/1276390924.db2.gz XTPXEZXUBKYMRJ-SJKOYZFVSA-N 1 1 343.431 2.594 20 10 EFCDMO C[C@@H](NC[C@]1(C)CCC[NH2+]C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000817964402 1276403042 /nfs/dbraw/zinc/40/30/42/1276403042.db2.gz BJLAGODMRAKIEG-DNVCBOLYSA-N 1 1 335.467 2.703 20 10 EFCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2NCCc3ccccc32)c1 ZINC000817973036 1276415958 /nfs/dbraw/zinc/41/59/58/1276415958.db2.gz BCTKGVYVDAJWGR-ACJLOTCBSA-N 1 1 340.423 2.716 20 10 EFCDMO C[C@H](N[C@H](C[NH3+])C1CCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000817983219 1276421902 /nfs/dbraw/zinc/42/19/02/1276421902.db2.gz ZRRHGWVHSIOOGV-KBXCAEBGSA-N 1 1 335.467 2.830 20 10 EFCDMO COc1ccc(N2CC[C@H](C[NH2+]C3C[C@H]4CC[C@@H](C3)N4C)C2)cc1 ZINC000818342722 1276511411 /nfs/dbraw/zinc/51/14/11/1276511411.db2.gz UXEPNQIAFORMKB-VBZNHOPUSA-N 1 1 329.488 2.736 20 10 EFCDMO C[C@H]1CC2(C[N@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])CC[NH2+]CC2 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C[C@@H]([NH2+]CCN1CCO[C@@H](C)C1)c1cccc(C(F)(F)F)c1O ZINC000815576497 1287608882 /nfs/dbraw/zinc/60/88/82/1287608882.db2.gz RNDXLLOMUAGRIE-NWDGAFQWSA-N 1 1 332.366 2.782 20 10 EFCDMO C[C@H]([NH2+]C[C@H](O)c1cnn(C)c1)c1cccc(C(F)(F)F)c1O ZINC000815584199 1287613670 /nfs/dbraw/zinc/61/36/70/1287613670.db2.gz XXSSBVNWERVXRW-ZANVPECISA-N 1 1 329.322 2.529 20 10 EFCDMO CCCCC[N@H+]1C[C@H](NC(=O)c2cc(OC)nc(OC)c2)CC[C@H]1C ZINC001132157279 1283061595 /nfs/dbraw/zinc/06/15/95/1283061595.db2.gz NIQCCOWIFAVDTM-GDBMZVCRSA-N 1 1 349.475 2.872 20 10 EFCDMO CCNC(=O)N1CC[C@H]([NH2+][C@H](C)c2cccc(C(F)(F)F)c2O)C1 ZINC000815595988 1287624045 /nfs/dbraw/zinc/62/40/45/1287624045.db2.gz HSASCQVOEUQQJH-MNOVXSKESA-N 1 1 345.365 2.865 20 10 EFCDMO Oc1cc2ccccc2cc1CNc1nc(N2CCOCC2)cc[nH+]1 ZINC001171399093 1283341436 /nfs/dbraw/zinc/34/14/36/1283341436.db2.gz BYGZTIDJZSCEJP-UHFFFAOYSA-N 1 1 336.395 2.784 20 10 EFCDMO CN(C)c1ccc(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)cc1F ZINC000747658105 1283843707 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COc1cccc(C[N@H+]2CCCC[C@@H]2COC(=O)NC2CC2)c1O ZINC000811511594 1284390164 /nfs/dbraw/zinc/39/01/64/1284390164.db2.gz OEJPIILYTWCCPF-OAHLLOKOSA-N 1 1 334.416 2.644 20 10 EFCDMO Cc1cc(C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)c(C)n1-c1ccccn1 ZINC000811601777 1284449334 /nfs/dbraw/zinc/44/93/34/1284449334.db2.gz OLOAOTFAUQCMBJ-AWEZNQCLSA-N 1 1 328.460 2.948 20 10 EFCDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000811884194 1284729047 /nfs/dbraw/zinc/72/90/47/1284729047.db2.gz BGBJZINSCPYVIA-QGZVFWFLSA-N 1 1 344.503 2.982 20 10 EFCDMO CC(C)[N@H+](C)C[C@H](C)NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000811931175 1284756846 /nfs/dbraw/zinc/75/68/46/1284756846.db2.gz VUWLRLQIZMCHCF-HNNXBMFYSA-N 1 1 332.492 2.597 20 10 EFCDMO COCC[C@H]1COCC[N@@H+]1Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000812300659 1285066264 /nfs/dbraw/zinc/06/62/64/1285066264.db2.gz ZFPIWDRCXOSYJO-HNNXBMFYSA-N 1 1 337.460 2.936 20 10 EFCDMO COCC[C@H]1COCC[N@H+]1Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000812300659 1285066269 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20 10 EFCDMO COc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)c2[nH]ncc2F)cc1C ZINC001135407225 1288001961 /nfs/dbraw/zinc/00/19/61/1288001961.db2.gz GCGVEUROCLFWSU-CHWSQXEVSA-N 1 1 348.422 2.553 20 10 EFCDMO Oc1c(C[NH+]2CCN([C@H]3CCC[C@@H]3O)CC2)ccc2ccccc21 ZINC000816502450 1288173469 /nfs/dbraw/zinc/17/34/69/1288173469.db2.gz BKBCIZGRJWOYIO-OALUTQOASA-N 1 1 326.440 2.576 20 10 EFCDMO CS(=O)(=O)c1ccc(C[NH2+]Cc2cc(Cl)c(F)cc2O)s1 ZINC000816588866 1288208585 /nfs/dbraw/zinc/20/85/85/1288208585.db2.gz CXMMGMWRWUIYIH-UHFFFAOYSA-N 1 1 349.836 2.940 20 10 EFCDMO CCO[C@H]1C[C@@](CO)([NH2+]Cc2cc(Cl)c(F)cc2O)C1(C)C ZINC000816585617 1288208604 /nfs/dbraw/zinc/20/86/04/1288208604.db2.gz NZGMCCPCKBVRPK-HOCLYGCPSA-N 1 1 331.815 2.840 20 10 EFCDMO CS(=O)(=O)[C@H]1CCC[N@@H+](Cc2ccc3ccccc3c2O)CC1 ZINC000816600213 1288220513 /nfs/dbraw/zinc/22/05/13/1288220513.db2.gz OZXGYVJWLQVIDW-INIZCTEOSA-N 1 1 333.453 2.945 20 10 EFCDMO CN1CCN(CCC[N@H+](C)Cc2ccc3ccccc3c2O)CC1 ZINC000816611472 1288224111 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10 EFCDMO C[N@H+]1CCC[C@]2(CC[NH+](Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])C2)C1 ZINC000816641898 1288227359 /nfs/dbraw/zinc/22/73/59/1288227359.db2.gz JQKOHYJKBJIJSB-INIZCTEOSA-N 1 1 339.823 2.872 20 10 EFCDMO OC[C@]1([C@@H]([NH2+]Cc2c(O)ccc(Cl)c2F)C2CC2)CCCO1 ZINC000816666070 1288236428 /nfs/dbraw/zinc/23/64/28/1288236428.db2.gz DAUJSJGIIGFUEN-HOTGVXAUSA-N 1 1 329.799 2.594 20 10 EFCDMO c1cc(N2CCOCC2)ccc1C[N@H+]1C[C@@]2(CCCO2)[C@@H]1C1CC1 ZINC000816666708 1288236619 /nfs/dbraw/zinc/23/66/19/1288236619.db2.gz UXQNPFGARRJJOL-PMACEKPBSA-N 1 1 328.456 2.667 20 10 EFCDMO CC(C)[C@@H]1C[N@H+](Cc2ccc(N3CCN(C)CC3)cc2)CCCO1 ZINC000816675920 1288241259 /nfs/dbraw/zinc/24/12/59/1288241259.db2.gz OPWBZMSGQZKJHC-FQEVSTJZSA-N 1 1 331.504 2.685 20 10 EFCDMO CC(C)[C@@H]1C[N@@H+](Cc2ccc(N3CCN(C)CC3)cc2)CCCO1 ZINC000816675920 1288241265 /nfs/dbraw/zinc/24/12/65/1288241265.db2.gz OPWBZMSGQZKJHC-FQEVSTJZSA-N 1 1 331.504 2.685 20 10 EFCDMO CCCN(Cc1ccccc1O)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC000816914461 1288329970 /nfs/dbraw/zinc/32/99/70/1288329970.db2.gz RAZOBVCNMXWSIP-MRXNPFEDSA-N 1 1 327.428 2.898 20 10 EFCDMO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000817171598 1288448480 /nfs/dbraw/zinc/44/84/80/1288448480.db2.gz YLRPVNHSVLMLBZ-VQIMIIECSA-N 1 1 346.519 2.728 20 10 EFCDMO C[C@@H]1C[C@H](C(=O)OC(C)(C)C)C[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000817370325 1288562443 /nfs/dbraw/zinc/56/24/43/1288562443.db2.gz NPWSZIAXJNIWCA-OCCSQVGLSA-N 1 1 349.427 2.921 20 10 EFCDMO COc1cc(Br)cc(C[N@@H+]2C[C@H](CO)C[C@H](C)C2)c1O ZINC000817412553 1288591602 /nfs/dbraw/zinc/59/16/02/1288591602.db2.gz MLNNKAMNAQGANH-WDEREUQCSA-N 1 1 344.249 2.614 20 10 EFCDMO COc1cccc(C[N@@H+]2CCNC(=O)[C@@H]2CC2CCCCC2)c1O ZINC000817418245 1288592989 /nfs/dbraw/zinc/59/29/89/1288592989.db2.gz HRZOIEKQDSTNHD-INIZCTEOSA-N 1 1 332.444 2.672 20 10 EFCDMO COc1cccc(C[N@H+]2CCNC(=O)[C@@H]2CC2CCCCC2)c1O ZINC000817418245 1288592991 /nfs/dbraw/zinc/59/29/91/1288592991.db2.gz HRZOIEKQDSTNHD-INIZCTEOSA-N 1 1 332.444 2.672 20 10 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CC[N@H+](CCN(C)C)Cc1cc(Br)c(OC)cc1O ZINC001233135672 1312863618 /nfs/dbraw/zinc/86/36/18/1312863618.db2.gz XREXQPGWKNODBJ-UHFFFAOYSA-N 1 1 331.254 2.547 20 10 EFCDMO CC[N@@H+](CCN(C)C)Cc1cc(Br)c(OC)cc1O ZINC001233135672 1312863621 /nfs/dbraw/zinc/86/36/21/1312863621.db2.gz XREXQPGWKNODBJ-UHFFFAOYSA-N 1 1 331.254 2.547 20 10 EFCDMO COc1cc(O)c(C[N@H+]2CCCC[C@@](C)(O)C2)cc1Br ZINC001233135203 1312863821 /nfs/dbraw/zinc/86/38/21/1312863821.db2.gz ONGRMALHPZDNDW-OAHLLOKOSA-N 1 1 344.249 2.900 20 10 EFCDMO COc1cc(O)c(C[N@H+]2CCC[C@](C)(O)C2)cc1Br ZINC001233140483 1312865327 /nfs/dbraw/zinc/86/53/27/1312865327.db2.gz IYNOFGNGPASIIQ-AWEZNQCLSA-N 1 1 330.222 2.510 20 10 EFCDMO CN1CCN(Cc2cc3c(cc2O)OCO3)[C@@H](c2ccccc2)C1 ZINC000249697597 1291639944 /nfs/dbraw/zinc/63/99/44/1291639944.db2.gz AXZWLWBMJQVFBB-MRXNPFEDSA-N 1 1 326.396 2.610 20 10 EFCDMO CN1CC[N@H+](Cc2cc3c(cc2O)OCO3)[C@@H](c2ccccc2)C1 ZINC000249697597 1291639952 /nfs/dbraw/zinc/63/99/52/1291639952.db2.gz AXZWLWBMJQVFBB-MRXNPFEDSA-N 1 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C[NH+](C)CCCN1CCN(Cc2cc(C(C)(C)C)ccc2O)CC1 ZINC001233286060 1312895865 /nfs/dbraw/zinc/89/58/65/1312895865.db2.gz CVTFORHVAUEYTF-UHFFFAOYSA-N 1 1 333.520 2.759 20 10 EFCDMO COC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC001233287795 1312896273 /nfs/dbraw/zinc/89/62/73/1312896273.db2.gz HOOLASUCRAIHCB-GHMZBOCLSA-N 1 1 327.808 2.828 20 10 EFCDMO CCCNC(=O)[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(OC)c1O ZINC001233289966 1312896302 /nfs/dbraw/zinc/89/63/02/1312896302.db2.gz ZSETZFPRAHKJGM-AWEZNQCLSA-N 1 1 340.851 2.935 20 10 EFCDMO CCCNC(=O)[C@@H]1CCCC[N@H+]1Cc1cc(Cl)cc(OC)c1O ZINC001233289966 1312896306 /nfs/dbraw/zinc/89/63/06/1312896306.db2.gz ZSETZFPRAHKJGM-AWEZNQCLSA-N 1 1 340.851 2.935 20 10 EFCDMO COc1cc(Cl)cc(C[N@H+]2CC[C@@H](Oc3ncc(C)cn3)C2)c1O ZINC001233291313 1312897790 /nfs/dbraw/zinc/89/77/90/1312897790.db2.gz VTRDPPDPINPDIP-CQSZACIVSA-N 1 1 349.818 2.806 20 10 EFCDMO Oc1ccc(F)c(F)c1C[N@@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC001233332167 1312904938 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O=C([C@@H]1CCC[N@@H+](Cc2c(O)ccc(F)c2F)C1)N1CCCCC1 ZINC001233334617 1312906897 /nfs/dbraw/zinc/90/68/97/1312906897.db2.gz NTAAOWFFRPKEBF-CYBMUJFWSA-N 1 1 338.398 2.895 20 10 EFCDMO O=C([C@@H]1CCC[N@H+](Cc2c(O)ccc(F)c2F)C1)N1CCCCC1 ZINC001233334617 1312906899 /nfs/dbraw/zinc/90/68/99/1312906899.db2.gz NTAAOWFFRPKEBF-CYBMUJFWSA-N 1 1 338.398 2.895 20 10 EFCDMO COCCN(C(C)=O)c1nc(C[NH2+][C@H](C)c2ccccc2O)cs1 ZINC000879648661 1292219028 /nfs/dbraw/zinc/21/90/28/1292219028.db2.gz YBGXAMPTKYOIIT-GFCCVEGCSA-N 1 1 349.456 2.699 20 10 EFCDMO CC(=O)N(C)C1CC[NH+](Cc2cccc(C(F)(F)F)c2O)CC1 ZINC001233419002 1312928758 /nfs/dbraw/zinc/92/87/58/1312928758.db2.gz FRUVQCMQFWQWLD-UHFFFAOYSA-N 1 1 330.350 2.854 20 10 EFCDMO O=C1OCCN1C1CC[NH+](Cc2cccc(C(F)(F)F)c2O)CC1 ZINC001233418728 1312928795 /nfs/dbraw/zinc/92/87/95/1312928795.db2.gz SNEZEBNXPSGEKI-UHFFFAOYSA-N 1 1 344.333 2.828 20 10 EFCDMO COC(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2O)CC1 ZINC001233452041 1312934781 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20 10 EFCDMO CCC[C@H]1C(=O)NCC[N@@H+]1Cc1c(O)ccc2ccc(OC)cc21 ZINC000128702266 1292686765 /nfs/dbraw/zinc/68/67/65/1292686765.db2.gz QJIAVEHNRYJLAO-KRWDZBQOSA-N 1 1 328.412 2.655 20 10 EFCDMO CCC(=O)N1CCC[N@@H+](Cc2cc(C(C)(C)C)cc(O)c2O)CC1 ZINC000128728928 1292709577 /nfs/dbraw/zinc/70/95/77/1292709577.db2.gz WWBARGPJEJYZBG-UHFFFAOYSA-N 1 1 334.460 2.840 20 10 EFCDMO CC(C)(C)OC(=O)N1CCO[C@H]2C[N@@H+](Cc3ccccc3O)CC[C@@H]21 ZINC001203550565 1312953435 /nfs/dbraw/zinc/95/34/35/1312953435.db2.gz ZUEMASJOMTWLOP-RDJZCZTQSA-N 1 1 348.443 2.602 20 10 EFCDMO Oc1ccccc1C[N@H+]1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@@H]21 ZINC001203552589 1312954049 /nfs/dbraw/zinc/95/40/49/1312954049.db2.gz OOUWLCOPJGGPTI-HHXXYDBFSA-N 1 1 340.423 2.846 20 10 EFCDMO COC[C@H]1C[N@H+](Cc2ccccc2O)Cc2nn(CC3CC3)cc21 ZINC001203551290 1312954069 /nfs/dbraw/zinc/95/40/69/1312954069.db2.gz APPFSZHGLJHVHX-MRXNPFEDSA-N 1 1 327.428 2.745 20 10 EFCDMO COC[C@H]1C[N@@H+](Cc2ccccc2O)Cc2nn(CC3CC3)cc21 ZINC001203551290 1312954071 /nfs/dbraw/zinc/95/40/71/1312954071.db2.gz APPFSZHGLJHVHX-MRXNPFEDSA-N 1 1 327.428 2.745 20 10 EFCDMO Oc1ccccc1C[N@H+]1CCN2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001203552925 1312954119 /nfs/dbraw/zinc/95/41/19/1312954119.db2.gz VQTYCCBTSRFULD-HKUYNNGSSA-N 1 1 342.414 2.869 20 10 EFCDMO Oc1ccccc1CN1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001203552925 1312954121 /nfs/dbraw/zinc/95/41/21/1312954121.db2.gz VQTYCCBTSRFULD-HKUYNNGSSA-N 1 1 342.414 2.869 20 10 EFCDMO Oc1ccccc1CN1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001203552925 1312954123 /nfs/dbraw/zinc/95/41/23/1312954123.db2.gz VQTYCCBTSRFULD-HKUYNNGSSA-N 1 1 342.414 2.869 20 10 EFCDMO CC(C)C(=O)NC[C@@H]1CCC[C@]2(CC[N@@H+](Cc3ccccc3O)C2)O1 ZINC001203556390 1312955551 /nfs/dbraw/zinc/95/55/51/1312955551.db2.gz ONSHDHCDJHSIIH-FXAWDEMLSA-N 1 1 346.471 2.678 20 10 EFCDMO Oc1ccccc1C[N@@H+]1CCc2onc(COc3ccccn3)c2C1 ZINC001203556691 1312955642 /nfs/dbraw/zinc/95/56/42/1312955642.db2.gz TYEXMTSJGPVJRO-UHFFFAOYSA-N 1 1 337.379 2.913 20 10 EFCDMO Oc1ccccc1C[N@H+]1CCc2onc(COc3ccccn3)c2C1 ZINC001203556691 1312955645 /nfs/dbraw/zinc/95/56/45/1312955645.db2.gz TYEXMTSJGPVJRO-UHFFFAOYSA-N 1 1 337.379 2.913 20 10 EFCDMO COCC[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1cccc(OC)c1O)C2 ZINC001203591297 1312964953 /nfs/dbraw/zinc/96/49/53/1312964953.db2.gz GMCURBGPHQOYCH-HNAYVOBHSA-N 1 1 335.444 2.808 20 10 EFCDMO CCOC[C@H]1C[N@@H+](Cc2cccc(OC)c2O)Cc2c1cnn2CC ZINC001203591559 1312965014 /nfs/dbraw/zinc/96/50/14/1312965014.db2.gz IXSBUVRIRQEHGW-OAHLLOKOSA-N 1 1 345.443 2.753 20 10 EFCDMO COc1cccc(C[N@H+]2CCC[C@]3(C2)COCCN(C(C)C)C3)c1O ZINC001203590324 1312965103 /nfs/dbraw/zinc/96/51/03/1312965103.db2.gz WWNBXOOUMLYZRT-HXUWFJFHSA-N 1 1 348.487 2.724 20 10 EFCDMO COc1cccc(CN2CCC[C@]3(C2)COCC[N@@H+](C(C)C)C3)c1O ZINC001203590324 1312965105 /nfs/dbraw/zinc/96/51/05/1312965105.db2.gz WWNBXOOUMLYZRT-HXUWFJFHSA-N 1 1 348.487 2.724 20 10 EFCDMO COc1cccc(CN2CCC[C@]3(C2)COCC[N@H+](C(C)C)C3)c1O ZINC001203590324 1312965108 /nfs/dbraw/zinc/96/51/08/1312965108.db2.gz WWNBXOOUMLYZRT-HXUWFJFHSA-N 1 1 348.487 2.724 20 10 EFCDMO COc1cccc(C[N@H+]2CC[C@@]3(CCCN3C(=O)C(C)C)C2)c1O ZINC001203593625 1312965682 /nfs/dbraw/zinc/96/56/82/1312965682.db2.gz OYOMOPRTCNLYGI-IBGZPJMESA-N 1 1 332.444 2.624 20 10 EFCDMO COC(=O)[C@H]1C[N@@H+](Cc2cccc(OC)c2O)C[C@@H]1c1ccccc1 ZINC001203601808 1312967362 /nfs/dbraw/zinc/96/73/62/1312967362.db2.gz LRXNGNVSKFWIKS-SJORKVTESA-N 1 1 341.407 2.789 20 10 EFCDMO COc1cccc(C[N@@H+]2C[C@@H]3CC[C@H]2CN3C(=O)OC(C)(C)C)c1O ZINC001203601749 1312967646 /nfs/dbraw/zinc/96/76/46/1312967646.db2.gz JOQYTBYOVWREBN-GJZGRUSLSA-N 1 1 348.443 2.985 20 10 EFCDMO COc1cccc(C[N@H+]2C[C@@H]3CC[C@H]2CN3C(=O)OC(C)(C)C)c1O ZINC001203601749 1312967648 /nfs/dbraw/zinc/96/76/48/1312967648.db2.gz JOQYTBYOVWREBN-GJZGRUSLSA-N 1 1 348.443 2.985 20 10 EFCDMO CCOc1cccc(C[N@@H+]2CCN3C(=O)c4ccccc4[C@@H]3C2)c1O ZINC001203602833 1312967943 /nfs/dbraw/zinc/96/79/43/1312967943.db2.gz AMXWSBRDFNJWEG-KRWDZBQOSA-N 1 1 338.407 2.804 20 10 EFCDMO CCOc1cccc(C[N@H+]2CCN3C(=O)c4ccccc4[C@@H]3C2)c1O ZINC001203602833 1312967946 /nfs/dbraw/zinc/96/79/46/1312967946.db2.gz AMXWSBRDFNJWEG-KRWDZBQOSA-N 1 1 338.407 2.804 20 10 EFCDMO CCOc1cccc(C[NH+]2CCN(c3nccnc3Cl)CC2)c1O ZINC001203602419 1312968425 /nfs/dbraw/zinc/96/84/25/1312968425.db2.gz VWRVVXASVCIQAA-UHFFFAOYSA-N 1 1 348.834 2.557 20 10 EFCDMO CCOc1cccc(C[N@H+]2CC[C@]3(C[C@@H](OCC4CC4)CO3)C2)c1O ZINC001203609978 1312970553 /nfs/dbraw/zinc/97/05/53/1312970553.db2.gz QFYWMPMXVJCCAA-XLIONFOSSA-N 1 1 347.455 2.951 20 10 EFCDMO CCOc1cccc(C[NH+]2CC(N3CCC(F)(F)CC3)C2)c1O ZINC001203613729 1312970886 /nfs/dbraw/zinc/97/08/86/1312970886.db2.gz HDXSLVHRUPNCEG-UHFFFAOYSA-N 1 1 326.387 2.706 20 10 EFCDMO COc1ccc(O)c(CNC(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC000129309770 1293043436 /nfs/dbraw/zinc/04/34/36/1293043436.db2.gz GQVGUNSNVJXOOF-HNNXBMFYSA-N 1 1 349.475 2.568 20 10 EFCDMO CCOc1cccc(C[N@H+]2CC[C@H](Oc3nccc(C)n3)C2)c1O ZINC001203617132 1312972533 /nfs/dbraw/zinc/97/25/33/1312972533.db2.gz IWRAYAUCJKZPMX-HNNXBMFYSA-N 1 1 329.400 2.543 20 10 EFCDMO CCOc1cccc(C[N@H+]2CCC[C@H](Oc3cnccn3)C2)c1O ZINC001203617687 1312972540 /nfs/dbraw/zinc/97/25/40/1312972540.db2.gz UKAMSEWWASUEIG-HNNXBMFYSA-N 1 1 329.400 2.624 20 10 EFCDMO CCOc1cccc(C[N@H+]2CC[C@H](Oc3ncncc3C)C2)c1O ZINC001203617701 1312972687 /nfs/dbraw/zinc/97/26/87/1312972687.db2.gz VFEGSWKBYHIOFF-HNNXBMFYSA-N 1 1 329.400 2.543 20 10 EFCDMO CCOc1cccc(C[N@H+]2CCC[C@@H](Oc3cc(C)ncn3)C2)c1O ZINC001203617916 1312972722 /nfs/dbraw/zinc/97/27/22/1312972722.db2.gz YCJUCMOAEADZGV-MRXNPFEDSA-N 1 1 343.427 2.933 20 10 EFCDMO COc1ccc(C[N@H+]2C[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]32)c(O)c1 ZINC001203622127 1312972901 /nfs/dbraw/zinc/97/29/01/1312972901.db2.gz QCWUVYANQMADAF-CZUORRHYSA-N 1 1 348.443 2.842 20 10 EFCDMO COc1ccc(C[N@H+]2CCCN(c3ccc(F)cn3)CC2)c(O)c1 ZINC001203621581 1312973515 /nfs/dbraw/zinc/97/35/15/1312973515.db2.gz XXGAMDLSFSCWFO-UHFFFAOYSA-N 1 1 331.391 2.647 20 10 EFCDMO COc1ccc(C[N@H+]2CCO[C@H]3[C@H](OCC4CC4)CC[C@@H]32)c(O)c1 ZINC001203623104 1312974034 /nfs/dbraw/zinc/97/40/34/1312974034.db2.gz IHXVDQSQUWJNIK-QXAKKESOSA-N 1 1 333.428 2.559 20 10 EFCDMO COc1ccc(C[N@H+]2CC[C@H]3O[C@@H](COCC4CC4)CC[C@H]32)c(O)c1 ZINC001203623188 1312974140 /nfs/dbraw/zinc/97/41/40/1312974140.db2.gz LYJJKDAFXNGSPI-QWFCFKBJSA-N 1 1 347.455 2.949 20 10 EFCDMO COc1ccc(C[N@H+]2CCCn3cnc(COC(C)C)c3C2)c(O)c1 ZINC001203629466 1312975363 /nfs/dbraw/zinc/97/53/63/1312975363.db2.gz LQOXRCHDSQHMBC-UHFFFAOYSA-N 1 1 345.443 2.928 20 10 EFCDMO COc1ccc(C[N@H+]2CC[C@]3(C2)c2ccccc2N(C)C3=O)c(O)c1 ZINC001203628643 1312975629 /nfs/dbraw/zinc/97/56/29/1312975629.db2.gz DKIAVGVOIKJZSI-FQEVSTJZSA-N 1 1 338.407 2.521 20 10 EFCDMO COc1ccc(C[N@H+]2CCC[C@@H](C(=O)N3CCCCC3)C2)c(O)c1 ZINC001203628846 1312975687 /nfs/dbraw/zinc/97/56/87/1312975687.db2.gz HGSOGVWONDYJKC-MRXNPFEDSA-N 1 1 332.444 2.625 20 10 EFCDMO CC[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775556507 1293104647 /nfs/dbraw/zinc/10/46/47/1293104647.db2.gz YXPPWKRQNAEDMN-SWLSCSKDSA-N 1 1 333.259 2.806 20 10 EFCDMO CC[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775556507 1293104652 /nfs/dbraw/zinc/10/46/52/1293104652.db2.gz YXPPWKRQNAEDMN-SWLSCSKDSA-N 1 1 333.259 2.806 20 10 EFCDMO COc1ccc(C[NH+]2CC(N3Cc4ccccc4NC3=O)C2)c(O)c1 ZINC001203635191 1312977672 /nfs/dbraw/zinc/97/76/72/1312977672.db2.gz OBQBQHKTLHLMKK-UHFFFAOYSA-N 1 1 339.395 2.633 20 10 EFCDMO Oc1c(C[N@H+]2CC[C@](O)(C(F)(F)F)C2)cccc1OC(F)(F)F ZINC001233727689 1312978809 /nfs/dbraw/zinc/97/88/09/1312978809.db2.gz OGUCIHDKRSHHKW-LLVKDONJSA-N 1 1 345.239 2.790 20 10 EFCDMO Oc1c(C[N@H+]2CCCC[C@](O)(CF)C2)cccc1OC(F)(F)F ZINC001233727141 1312978859 /nfs/dbraw/zinc/97/88/59/1312978859.db2.gz JCYDTQQGNYGAAB-AWEZNQCLSA-N 1 1 337.313 2.977 20 10 EFCDMO COC(=O)C[C@@H]1CCC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC001203649948 1312980259 /nfs/dbraw/zinc/98/02/59/1312980259.db2.gz KBDSIYWYKJTVTR-NSHDSACASA-N 1 1 342.233 2.930 20 10 EFCDMO C[N@H+]1CCC[C@@H]2CN(Cc3cc(Br)ccc3O)C[C@@H]21 ZINC001203650208 1312980573 /nfs/dbraw/zinc/98/05/73/1312980573.db2.gz NEERPQHRASBWQE-RISCZKNCSA-N 1 1 325.250 2.681 20 10 EFCDMO Oc1ccc(Cl)cc1C[N@H+]1CC[C@]2(CCN2c2ncccn2)C1 ZINC001203655740 1312982169 /nfs/dbraw/zinc/98/21/69/1312982169.db2.gz CADHOINOCWRBRM-KRWDZBQOSA-N 1 1 330.819 2.690 20 10 EFCDMO CCOC[C@H]1C[N@H+](Cc2cc(Cl)ccc2O)Cc2cn(C)nc21 ZINC001203655920 1312982652 /nfs/dbraw/zinc/98/26/52/1312982652.db2.gz FGBLOQUWHLHJKE-CQSZACIVSA-N 1 1 335.835 2.915 20 10 EFCDMO CCOC[C@H]1C[N@@H+](Cc2cc(Cl)ccc2O)Cc2cn(C)nc21 ZINC001203655920 1312982655 /nfs/dbraw/zinc/98/26/55/1312982655.db2.gz FGBLOQUWHLHJKE-CQSZACIVSA-N 1 1 335.835 2.915 20 10 EFCDMO CCOC[C@H]1C[N@H+](Cc2cc(Cl)ccc2O)Cc2cnn(C)c21 ZINC001203656149 1312982666 /nfs/dbraw/zinc/98/26/66/1312982666.db2.gz JNSBJFSXLJBDKY-CQSZACIVSA-N 1 1 335.835 2.915 20 10 EFCDMO CCOC[C@H]1C[N@@H+](Cc2cc(Cl)ccc2O)Cc2cnn(C)c21 ZINC001203656149 1312982670 /nfs/dbraw/zinc/98/26/70/1312982670.db2.gz JNSBJFSXLJBDKY-CQSZACIVSA-N 1 1 335.835 2.915 20 10 EFCDMO COc1ccc(O)c(C[N@H+]2CCC[C@]3(CCCCN3C(C)=O)C2)c1 ZINC001203675161 1312987100 /nfs/dbraw/zinc/98/71/00/1312987100.db2.gz PFVLUCPIPSNBOL-LJQANCHMSA-N 1 1 332.444 2.768 20 10 EFCDMO CN(C)C(=O)[C@H]1CCC[N@@H+](Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001233754827 1312984604 /nfs/dbraw/zinc/98/46/04/1312984604.db2.gz LZMNIFOVBDYOGJ-LBPRGKRZSA-N 1 1 346.349 2.591 20 10 EFCDMO COc1ccc(O)c(C[N@H+]2CCCN(c3ccc(F)cn3)CC2)c1 ZINC001203669901 1312985208 /nfs/dbraw/zinc/98/52/08/1312985208.db2.gz HHSCIUFQUQXTKL-UHFFFAOYSA-N 1 1 331.391 2.647 20 10 EFCDMO CC(C)[N@H+]1CC[C@@H](NC(=O)c2ccc(O)c(O)c2Cl)[C@@H](C)C1 ZINC001193255307 1293216608 /nfs/dbraw/zinc/21/66/08/1293216608.db2.gz UIESCQMHGSSWEZ-CMPLNLGQSA-N 1 1 326.824 2.600 20 10 EFCDMO CC[C@@H]1[N@@H+](Cc2cc(OC)ccc2O)CCC[C@]12CCC(=O)N2C ZINC001203673295 1312986714 /nfs/dbraw/zinc/98/67/14/1312986714.db2.gz UKRZIRPNMPUWNX-HKUYNNGSSA-N 1 1 332.444 2.766 20 10 EFCDMO Cn1ncc2c1CC[N@H+](Cc1cccc(OC(F)(F)F)c1O)C2 ZINC001233768186 1312987565 /nfs/dbraw/zinc/98/75/65/1312987565.db2.gz LRPLJQQPFXFLNU-UHFFFAOYSA-N 1 1 327.306 2.583 20 10 EFCDMO Cn1ncc2c1CC[N@@H+](Cc1cccc(OC(F)(F)F)c1O)C2 ZINC001233768186 1312987568 /nfs/dbraw/zinc/98/75/68/1312987568.db2.gz LRPLJQQPFXFLNU-UHFFFAOYSA-N 1 1 327.306 2.583 20 10 EFCDMO CCC1(NC(=O)OC(C)(C)C)C[NH+](Cc2cc(OC)ccc2O)C1 ZINC001203681210 1312988788 /nfs/dbraw/zinc/98/87/88/1312988788.db2.gz QKPOJVTXOAVQOC-UHFFFAOYSA-N 1 1 336.432 2.890 20 10 EFCDMO Oc1c(F)cc(F)cc1C[NH2+][C@H](CN1CCOCC1)c1ccccc1 ZINC000882880908 1293366264 /nfs/dbraw/zinc/36/62/64/1293366264.db2.gz OEYPXJLUMUTOEC-GOSISDBHSA-N 1 1 348.393 2.834 20 10 EFCDMO COc1cc(C[NH2+]Cc2cc(F)cc(F)c2O)cc(OC)c1OC ZINC000882880924 1293366596 /nfs/dbraw/zinc/36/65/96/1293366596.db2.gz OXLSLPKXUNPVLP-UHFFFAOYSA-N 1 1 339.338 2.986 20 10 EFCDMO COc1ccc(OC)c([C@H](O)C[NH2+]Cc2cc(F)cc(F)c2O)c1 ZINC000882884542 1293370335 /nfs/dbraw/zinc/37/03/35/1293370335.db2.gz NPSNZGDSFVTMNY-OAHLLOKOSA-N 1 1 339.338 2.511 20 10 EFCDMO COc1ccc(C[NH2+]Cc2cc(F)cc(F)c2O)c(OC)c1OC ZINC000882903207 1293377646 /nfs/dbraw/zinc/37/76/46/1293377646.db2.gz XWEATQNRFJGGEU-UHFFFAOYSA-N 1 1 339.338 2.986 20 10 EFCDMO [NH3+]C1(CC2CCC2)CCN(C(=O)c2cc(O)c(O)c(Cl)c2)CC1 ZINC001193633624 1293378033 /nfs/dbraw/zinc/37/80/33/1293378033.db2.gz BXOJDHGCBQIWIK-UHFFFAOYSA-N 1 1 338.835 2.875 20 10 EFCDMO Cc1[nH+]ccn1CCC[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC000882904121 1293378567 /nfs/dbraw/zinc/37/85/67/1293378567.db2.gz QXDIGYDEWNLEPE-UHFFFAOYSA-N 1 1 342.212 2.979 20 10 EFCDMO C[NH+](C)CC1CCC(NC(=O)c2cc(O)c(O)c(Cl)c2)CC1 ZINC001193635735 1293378643 /nfs/dbraw/zinc/37/86/43/1293378643.db2.gz ZRRXKTPXZVSUSM-UHFFFAOYSA-N 1 1 326.824 2.601 20 10 EFCDMO CS(=O)(=O)Cc1ccc(C[NH2+]Cc2cc(F)cc(F)c2O)cc1 ZINC000882904850 1293378821 /nfs/dbraw/zinc/37/88/21/1293378821.db2.gz MCPAAKSPVUXLAA-UHFFFAOYSA-N 1 1 341.379 2.505 20 10 EFCDMO OC[C@@H](C[NH2+]Cc1cc(F)cc(F)c1O)Cc1ccc(F)cc1 ZINC000882916196 1293383053 /nfs/dbraw/zinc/38/30/53/1293383053.db2.gz JWHNAPNNAJNDLG-GFCCVEGCSA-N 1 1 325.330 2.750 20 10 EFCDMO O=C(c1cc(O)c(O)c(Cl)c1)N1CCCC[C@@H]1C[NH+]1CCCC1 ZINC001193603836 1293391193 /nfs/dbraw/zinc/39/11/93/1293391193.db2.gz PRGZOKTUGAPWSJ-CYBMUJFWSA-N 1 1 338.835 2.842 20 10 EFCDMO CS(=O)(=O)Cc1cccc(C[NH2+]Cc2cc(F)cc(F)c2O)c1 ZINC000882946250 1293398674 /nfs/dbraw/zinc/39/86/74/1293398674.db2.gz BJMVAGPOMCWBPL-UHFFFAOYSA-N 1 1 341.379 2.505 20 10 EFCDMO COc1ccccc1N1CC[C@H]([NH2+]Cc2cc(F)cc(F)c2O)C1=O ZINC000883038595 1293439135 /nfs/dbraw/zinc/43/91/35/1293439135.db2.gz MYCYLMIHFZNPIU-AWEZNQCLSA-N 1 1 348.349 2.574 20 10 EFCDMO Oc1c(F)cc(F)cc1C[NH2+]C1CCN(c2nccs2)CC1 ZINC000883110714 1293466245 /nfs/dbraw/zinc/46/62/45/1293466245.db2.gz IYZPLWMNMHBIDZ-UHFFFAOYSA-N 1 1 325.384 2.886 20 10 EFCDMO C[S@@](=O)Cc1ccc(C[NH2+]Cc2cc(F)cc(F)c2O)cc1 ZINC000883118673 1293468500 /nfs/dbraw/zinc/46/85/00/1293468500.db2.gz CDXQIIDVDXERFL-JOCHJYFZSA-N 1 1 325.380 2.839 20 10 EFCDMO C[C@H]([NH2+]Cc1cc(Br)cc(F)c1O)[C@@H](O)C(F)(F)F ZINC000883194804 1293501796 /nfs/dbraw/zinc/50/17/96/1293501796.db2.gz DAPXXWMKHWGMBJ-XUOSJQGZSA-N 1 1 346.118 2.695 20 10 EFCDMO COc1ccc2ccc(O)c(C[N@H+]3CCOC4(CCOCC4)C3)c2c1 ZINC000131217765 1293505090 /nfs/dbraw/zinc/50/50/90/1293505090.db2.gz FFWRZEQPWRRYHN-UHFFFAOYSA-N 1 1 343.423 2.935 20 10 EFCDMO C[C@H](F)CC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001194367616 1293598505 /nfs/dbraw/zinc/59/85/05/1293598505.db2.gz JCEQHJJWUXBTNF-SWLSCSKDSA-N 1 1 349.410 2.743 20 10 EFCDMO Cc1cc(Cn2cc(C[NH+]3CCC(C)CC3)nn2)ccc1N(C)C ZINC000883993736 1293860234 /nfs/dbraw/zinc/86/02/34/1293860234.db2.gz UUZBELNBEMUIMC-UHFFFAOYSA-N 1 1 327.476 2.933 20 10 EFCDMO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cn(Cc3ccccc3)nn2)c1 ZINC000775655927 1293925993 /nfs/dbraw/zinc/92/59/93/1293925993.db2.gz XRLDNFDQELWQFI-CQSZACIVSA-N 1 1 338.411 2.891 20 10 EFCDMO CC(C)(C)OC(=O)N[C@@H]1C[N@H+](Cc2ccc(O)c(O)c2)CC12CC2 ZINC001203874755 1313038133 /nfs/dbraw/zinc/03/81/33/1313038133.db2.gz CJEJBJTWJULUMJ-OAHLLOKOSA-N 1 1 334.416 2.587 20 10 EFCDMO CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](Cc2ccc(O)c(O)c2)CC12CC2 ZINC001203874755 1313038136 /nfs/dbraw/zinc/03/81/36/1313038136.db2.gz CJEJBJTWJULUMJ-OAHLLOKOSA-N 1 1 334.416 2.587 20 10 EFCDMO COc1ccc(N2CC[NH+](Cc3ccc(O)c(O)c3)CC2)c(C)c1 ZINC001203878701 1313040136 /nfs/dbraw/zinc/04/01/36/1313040136.db2.gz AOTRJFCTSDZBLB-UHFFFAOYSA-N 1 1 328.412 2.737 20 10 EFCDMO CCOC(=O)Cc1ccc2c(c1)C[N@@H+](Cc1ccc(O)c(O)c1)CC2 ZINC001203875893 1313038472 /nfs/dbraw/zinc/03/84/72/1313038472.db2.gz YBCOBGZFUMIYNQ-UHFFFAOYSA-N 1 1 341.407 2.762 20 10 EFCDMO CCOC(=O)Cc1ccc2c(c1)C[N@H+](Cc1ccc(O)c(O)c1)CC2 ZINC001203875893 1313038475 /nfs/dbraw/zinc/03/84/75/1313038475.db2.gz YBCOBGZFUMIYNQ-UHFFFAOYSA-N 1 1 341.407 2.762 20 10 EFCDMO Oc1ccc(C[N@H+]2CC[C@H]3[C@H](CCN3Cc3nccs3)C2)cc1O ZINC001203876659 1313038831 /nfs/dbraw/zinc/03/88/31/1313038831.db2.gz HBMCRYNVINRPNV-CABCVRRESA-N 1 1 345.468 2.651 20 10 EFCDMO Oc1ccc(CN2CC[C@H]3[C@H](CC[N@@H+]3Cc3nccs3)C2)cc1O ZINC001203876659 1313038834 /nfs/dbraw/zinc/03/88/34/1313038834.db2.gz HBMCRYNVINRPNV-CABCVRRESA-N 1 1 345.468 2.651 20 10 EFCDMO Oc1ccc(CN2CC[C@H]3[C@H](CC[N@H+]3Cc3nccs3)C2)cc1O ZINC001203876659 1313038838 /nfs/dbraw/zinc/03/88/38/1313038838.db2.gz HBMCRYNVINRPNV-CABCVRRESA-N 1 1 345.468 2.651 20 10 EFCDMO Cc1ncc(CN(C)Cc2ccc(N3CC[NH+](C)CC3)cc2)s1 ZINC000775659052 1293939101 /nfs/dbraw/zinc/93/91/01/1293939101.db2.gz UMXZSURJZZEPTA-UHFFFAOYSA-N 1 1 330.501 2.835 20 10 EFCDMO COc1cc(O)c(C[N@H+](Cc2ccccc2)C[C@H](C)O)cc1OC ZINC000775658655 1293940059 /nfs/dbraw/zinc/94/00/59/1293940059.db2.gz OGCMLYHADUFPNU-AWEZNQCLSA-N 1 1 331.412 2.792 20 10 EFCDMO CC(C)(C)OC(=O)N1CC([N@H+](Cc2ccc(O)c(O)c2)C2CC2)C1 ZINC001203880003 1313039977 /nfs/dbraw/zinc/03/99/77/1313039977.db2.gz LQBQQOVIYUMDGU-UHFFFAOYSA-N 1 1 334.416 2.682 20 10 EFCDMO CC(C)(C)OC(=O)N1CC([N@@H+](Cc2ccc(O)c(O)c2)C2CC2)C1 ZINC001203880003 1313039979 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C[C@H]1CCN(Cc2cc(Br)c(F)cc2O)C[C@@H]1C[NH3+] ZINC001205303479 1313267118 /nfs/dbraw/zinc/26/71/18/1313267118.db2.gz GAZWCURLXNQFMW-ONGXEEELSA-N 1 1 331.229 2.711 20 10 EFCDMO C[C@H]1CC[N@H+](Cc2cc(F)cc(Br)c2[O-])C[C@H]1C[NH3+] ZINC001205316442 1313269278 /nfs/dbraw/zinc/26/92/78/1313269278.db2.gz IZWWCNPFXHAZMN-GXSJLCMTSA-N 1 1 331.229 2.711 20 10 EFCDMO C[C@H]1CC[N@@H+](Cc2cc(F)cc(Br)c2[O-])C[C@H]1C[NH3+] ZINC001205316442 1313269280 /nfs/dbraw/zinc/26/92/80/1313269280.db2.gz IZWWCNPFXHAZMN-GXSJLCMTSA-N 1 1 331.229 2.711 20 10 EFCDMO C[C@H]1CCN(Cc2cc(F)cc(Br)c2O)C[C@H]1C[NH3+] ZINC001205316442 1313269283 /nfs/dbraw/zinc/26/92/83/1313269283.db2.gz IZWWCNPFXHAZMN-GXSJLCMTSA-N 1 1 331.229 2.711 20 10 EFCDMO [NH3+][C@@]12CCC[C@@H]1CN(Cc1cc(Br)c(F)cc1O)C2 ZINC001235246222 1313274162 /nfs/dbraw/zinc/27/41/62/1313274162.db2.gz VSSIAVMKTWGBLU-QMTHXVAHSA-N 1 1 329.213 2.607 20 10 EFCDMO Cc1cccc(C[NH+]2CC3(CCN3C(=O)Cc3ccsc3)C2)c1O ZINC001276077224 1296593226 /nfs/dbraw/zinc/59/32/26/1296593226.db2.gz AHZQEGVCCDCEQI-UHFFFAOYSA-N 1 1 342.464 2.792 20 10 EFCDMO CCc1cccc(C[NH+]2CCN(c3ccc(OC)cc3OC)CC2)n1 ZINC001235266393 1313279000 /nfs/dbraw/zinc/27/90/00/1313279000.db2.gz NOWGFOZGQRUFLT-UHFFFAOYSA-N 1 1 341.455 2.983 20 10 EFCDMO C[N@H+]1CCC[C@@H]2CN(Cc3cc(F)cc(Br)c3[O-])C[C@@H]21 ZINC001235305329 1313287027 /nfs/dbraw/zinc/28/70/27/1313287027.db2.gz LXCMTPLPJMJYAN-YGRLFVJLSA-N 1 1 343.240 2.820 20 10 EFCDMO C[N@@H+]1CCC[C@@H]2CN(Cc3cc(F)cc(Br)c3O)C[C@@H]21 ZINC001235305329 1313287030 /nfs/dbraw/zinc/28/70/30/1313287030.db2.gz LXCMTPLPJMJYAN-YGRLFVJLSA-N 1 1 343.240 2.820 20 10 EFCDMO C[N@H+]1CCC[C@@H]2CN(Cc3cc(F)cc(Br)c3O)C[C@@H]21 ZINC001235305329 1313287034 /nfs/dbraw/zinc/28/70/34/1313287034.db2.gz LXCMTPLPJMJYAN-YGRLFVJLSA-N 1 1 343.240 2.820 20 10 EFCDMO Cc1cc(C)c(O)c(C[N@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)c1 ZINC000777564732 1296857495 /nfs/dbraw/zinc/85/74/95/1296857495.db2.gz CBDWKEQODSCEIB-GFCCVEGCSA-N 1 1 330.350 2.509 20 10 EFCDMO F[C@@H]1CC[NH2+]C[C@]12CCN(Cc1cc3c4c(c1)CCCN4CCC3)C2 ZINC001235401872 1313312508 /nfs/dbraw/zinc/31/25/08/1313312508.db2.gz HKZBCNKDGRONIQ-CTNGQTDRSA-N 1 1 343.490 2.909 20 10 EFCDMO CC(C)[C@@H]1C[NH2+]CCN1Cc1cc(F)cc(Br)c1O ZINC001235458790 1313327653 /nfs/dbraw/zinc/32/76/53/1313327653.db2.gz SQRITBFLLIONEA-ZDUSSCGKSA-N 1 1 331.229 2.724 20 10 EFCDMO C[C@H](NC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1)c1ccc(N(C)C)cc1 ZINC000776245040 1297221325 /nfs/dbraw/zinc/22/13/25/1297221325.db2.gz HEDXREGZXQGAFO-HOTGVXAUSA-N 1 1 332.492 2.797 20 10 EFCDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1 ZINC000776239194 1297225228 /nfs/dbraw/zinc/22/52/28/1297225228.db2.gz RRXDBBWRKCRNJM-CVEARBPZSA-N 1 1 332.492 2.797 20 10 EFCDMO C[C@H](NC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21)c1ccc(N(C)C)cc1 ZINC000776242604 1297243359 /nfs/dbraw/zinc/24/33/59/1297243359.db2.gz AAYDCSWTYWUNIR-KVSKMBFKSA-N 1 1 344.503 2.939 20 10 EFCDMO CC[C@@H](C)[N@H+]1CC[C@@]2(CCN(Cc3ccc(N(C)C)cc3)C2=O)C1 ZINC001273932278 1297271417 /nfs/dbraw/zinc/27/14/17/1297271417.db2.gz BNQHAWDPZSQKFY-UZLBHIALSA-N 1 1 329.488 2.976 20 10 EFCDMO C[C@H]1CC[C@H](C[NH3+])N(Cc2cc(F)cc(Br)c2O)C1 ZINC001205841417 1313365054 /nfs/dbraw/zinc/36/50/54/1313365054.db2.gz JUWJXZKCLZBKDN-JOYOIKCWSA-N 1 1 331.229 2.853 20 10 EFCDMO C[C@@H]1CC[C@H](C[NH3+])N(Cc2cc(Br)cc(F)c2O)C1 ZINC001205844045 1313365597 /nfs/dbraw/zinc/36/55/97/1313365597.db2.gz VMXOWOJBKLQQHQ-BXKDBHETSA-N 1 1 331.229 2.853 20 10 EFCDMO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1ccc(C(C)(C)C)cc1O ZINC001235679686 1313373229 /nfs/dbraw/zinc/37/32/29/1313373229.db2.gz PXDAOMQPOLPBSC-RBUKOAKNSA-N 1 1 345.531 2.900 20 10 EFCDMO CN(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C(C)(C)C)cc2O)C1 ZINC001235681771 1313373638 /nfs/dbraw/zinc/37/36/38/1313373638.db2.gz QFAWRTKZIFWKCM-MRXNPFEDSA-N 1 1 333.476 2.925 20 10 EFCDMO CCCCN(CCCC)c1ccc(CN2CC[C@@H]([NH3+])[C@H](O)C2)c(O)c1 ZINC001205972970 1313383574 /nfs/dbraw/zinc/38/35/74/1313383574.db2.gz DUGGRNALFLRNCS-UYAOXDASSA-N 1 1 349.519 2.693 20 10 EFCDMO CCOc1cccc(C[N@@H+]2CCNC[C@H]2Cc2ccccc2)c1O ZINC001235846956 1313408776 /nfs/dbraw/zinc/40/87/76/1313408776.db2.gz ASVMFDXGZKUMSL-GOSISDBHSA-N 1 1 326.440 2.807 20 10 EFCDMO CCOc1cccc(C[N@H+]2CCNC[C@H]2Cc2ccccc2)c1O ZINC001235846956 1313408777 /nfs/dbraw/zinc/40/87/77/1313408777.db2.gz ASVMFDXGZKUMSL-GOSISDBHSA-N 1 1 326.440 2.807 20 10 EFCDMO [NH3+][C@H]1CCN(Cc2c(O)cc(Br)cc2F)CC[C@H]1F ZINC001206182915 1313416791 /nfs/dbraw/zinc/41/67/91/1313416791.db2.gz DZJNRNYVCVHBHX-PWSUYJOCSA-N 1 1 335.192 2.555 20 10 EFCDMO [NH3+][C@@H]1CCN(Cc2c(O)cc(Br)cc2F)CC[C@H]1F ZINC001206182916 1313416961 /nfs/dbraw/zinc/41/69/61/1313416961.db2.gz DZJNRNYVCVHBHX-ZYHUDNBSSA-N 1 1 335.192 2.555 20 10 EFCDMO [NH3+][C@H]1CCN(Cc2c(O)cc(Br)cc2F)CC[C@@H]1F ZINC001206182914 1313417268 /nfs/dbraw/zinc/41/72/68/1313417268.db2.gz DZJNRNYVCVHBHX-JQWIXIFHSA-N 1 1 335.192 2.555 20 10 EFCDMO [NH3+][C@H]1CCN(Cc2cc(Br)cc(F)c2O)CC[C@H]1F ZINC001206201004 1313419746 /nfs/dbraw/zinc/41/97/46/1313419746.db2.gz VEAZBWWUVBJOFQ-PWSUYJOCSA-N 1 1 335.192 2.555 20 10 EFCDMO Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206304525 1313433068 /nfs/dbraw/zinc/43/30/68/1313433068.db2.gz MCMUGXSUCPGJIN-LJQANCHMSA-N 1 1 330.428 2.758 20 10 EFCDMO Fc1ccc2c(c1)CCN(Cc1ccc(N3CC[NH2+]CC3)cc1)C2 ZINC001236092809 1313440628 /nfs/dbraw/zinc/44/06/28/1313440628.db2.gz DBGLZCRDEPWWDM-UHFFFAOYSA-N 1 1 325.431 2.794 20 10 EFCDMO Cc1cc(C)c(C[N@H+]2CCCC3(CN(Cc4cn[nH]c4)C3)C2)c(O)c1 ZINC001276365028 1297976300 /nfs/dbraw/zinc/97/63/00/1297976300.db2.gz HZFHVZWGLGYZJU-UHFFFAOYSA-N 1 1 340.471 2.830 20 10 EFCDMO CCC[C@H]1CN(Cc2cc(Br)cc(F)c2O)CC[NH2+]1 ZINC001236178785 1313452026 /nfs/dbraw/zinc/45/20/26/1313452026.db2.gz LFGONZPMXVPJKR-LBPRGKRZSA-N 1 1 331.229 2.868 20 10 EFCDMO CN(Cc1c(O)cc(Br)cc1F)[C@@]1(C)CCC[NH2+]C1 ZINC001236207100 1313455575 /nfs/dbraw/zinc/45/55/75/1313455575.db2.gz OTMUERAJPYHSTO-AWEZNQCLSA-N 1 1 331.229 2.868 20 10 EFCDMO CCCN(Cc1c(O)cc(Br)cc1F)[C@@H]1CC[NH2+]C1 ZINC001236325013 1313469631 /nfs/dbraw/zinc/46/96/31/1313469631.db2.gz WSYAIQDRGBIGLL-LLVKDONJSA-N 1 1 331.229 2.868 20 10 EFCDMO COc1ccc(N2CCN(Cc3cccc(C[NH3+])c3)CC2)c(C)c1 ZINC001236366940 1313474171 /nfs/dbraw/zinc/47/41/71/1313474171.db2.gz JVFRVAJWCDJQSH-UHFFFAOYSA-N 1 1 325.456 2.785 20 10 EFCDMO CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001049918676 1313483957 /nfs/dbraw/zinc/48/39/57/1313483957.db2.gz SDZZITLOHJQVAS-GJZGRUSLSA-N 1 1 329.404 2.548 20 10 EFCDMO CC(C)N(Cc1cc(F)cc(Br)c1O)[C@@H]1CC[NH2+]C1 ZINC001236531241 1313489002 /nfs/dbraw/zinc/48/90/02/1313489002.db2.gz WSSCUNYARJUQAG-GFCCVEGCSA-N 1 1 331.229 2.866 20 10 EFCDMO Oc1cc(Br)cc(F)c1CN(C1CC1)[C@@H]1CC[NH2+]C1 ZINC001236529719 1313489018 /nfs/dbraw/zinc/48/90/18/1313489018.db2.gz XQZAVZKPFKJNCL-LLVKDONJSA-N 1 1 329.213 2.620 20 10 EFCDMO Cc1cc(Br)cc(CN2CCC(F)(F)[C@@H]([NH3+])C2)c1O ZINC001206683500 1313490629 /nfs/dbraw/zinc/49/06/29/1313490629.db2.gz LLZLJHCFNMLODA-NSHDSACASA-N 1 1 335.192 2.631 20 10 EFCDMO Cc1cc(Br)cc(CN2CCC(F)(F)[C@H]([NH3+])C2)c1O ZINC001206683497 1313491262 /nfs/dbraw/zinc/49/12/62/1313491262.db2.gz LLZLJHCFNMLODA-LLVKDONJSA-N 1 1 335.192 2.631 20 10 EFCDMO COC(=O)CC[N@@H+](Cc1cc(C)cc(Br)c1[O-])C1CC1 ZINC001236671056 1313507002 /nfs/dbraw/zinc/50/70/02/1313507002.db2.gz RXCCDSSCGJWRRN-UHFFFAOYSA-N 1 1 342.233 2.991 20 10 EFCDMO COC(=O)CC[N@H+](Cc1cc(C)cc(Br)c1O)C1CC1 ZINC001236671056 1313507005 /nfs/dbraw/zinc/50/70/05/1313507005.db2.gz RXCCDSSCGJWRRN-UHFFFAOYSA-N 1 1 342.233 2.991 20 10 EFCDMO COC(=O)CC[N@@H+](Cc1cc(C)cc(Br)c1O)C1CC1 ZINC001236671056 1313507007 /nfs/dbraw/zinc/50/70/07/1313507007.db2.gz RXCCDSSCGJWRRN-UHFFFAOYSA-N 1 1 342.233 2.991 20 10 EFCDMO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccc(F)c(O)c1 ZINC001236706560 1313515298 /nfs/dbraw/zinc/51/52/98/1313515298.db2.gz ZLCJAPGRLFGUFD-UHFFFAOYSA-N 1 1 330.403 3.000 20 10 EFCDMO COC[C@@H]1CCC[N@H+]1Cc1cc(OC)c(Br)cc1O ZINC001236744897 1313520917 /nfs/dbraw/zinc/52/09/17/1313520917.db2.gz IIIRBRHANUGDBV-NSHDSACASA-N 1 1 330.222 2.774 20 10 EFCDMO COc1cc(C[N@H+]2CC[C@@H](C)[C@@H](O)CC2)c(O)cc1Br ZINC001236746562 1313521015 /nfs/dbraw/zinc/52/10/15/1313521015.db2.gz DSMJSGRFBSGLAD-MFKMUULPSA-N 1 1 344.249 2.756 20 10 EFCDMO COc1cc(C[N@H+]2CC[C@@](C)(O)[C@@H](C)C2)c(O)cc1Br ZINC001236744700 1313521100 /nfs/dbraw/zinc/52/11/00/1313521100.db2.gz BQOCLZFTFNGSQN-ZUZCIYMTSA-N 1 1 344.249 2.756 20 10 EFCDMO COc1cc(C[N@@H+](C)[C@H]2CC[C@H](O)CC2)c(O)cc1Br ZINC001236748061 1313521169 /nfs/dbraw/zinc/52/11/69/1313521169.db2.gz KQFIFFMSYLNDGD-HAQNSBGRSA-N 1 1 344.249 2.899 20 10 EFCDMO COC[C@H]1CCC[N@H+]1Cc1cc(OC)c(Br)cc1O ZINC001236744896 1313521289 /nfs/dbraw/zinc/52/12/89/1313521289.db2.gz IIIRBRHANUGDBV-LLVKDONJSA-N 1 1 330.222 2.774 20 10 EFCDMO COc1cc(O)c(C[N@H+]2CCCC[C@@](O)(C(F)(F)F)C2)cc1OC ZINC001236750075 1313521641 /nfs/dbraw/zinc/52/16/41/1313521641.db2.gz OAPNSOAFWOHVJO-HNNXBMFYSA-N 1 1 349.349 2.689 20 10 EFCDMO COc1cc(O)c(C[N@H+]2CCc3cc4c(cc3C2)OCO4)cc1OC ZINC001236750681 1313521771 /nfs/dbraw/zinc/52/17/71/1313521771.db2.gz WXPBPMOLYWOPAS-UHFFFAOYSA-N 1 1 343.379 2.696 20 10 EFCDMO COc1cc(O)c(C[N@H+]2CCC[C@H](Oc3ccncc3)C2)cc1OC ZINC001236754537 1313523185 /nfs/dbraw/zinc/52/31/85/1313523185.db2.gz TVFAIDYDKVQHNK-INIZCTEOSA-N 1 1 344.411 2.848 20 10 EFCDMO COc1cc(O)c(C[N@H+]2CCC[C@@H](Oc3ccncc3)C2)cc1OC ZINC001236754553 1313523423 /nfs/dbraw/zinc/52/34/23/1313523423.db2.gz TVFAIDYDKVQHNK-MRXNPFEDSA-N 1 1 344.411 2.848 20 10 EFCDMO CCOC(=O)[C@@]1(C)CCC[N@@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC001236757813 1313523445 /nfs/dbraw/zinc/52/34/45/1313523445.db2.gz PPRMVGUKKNFDRP-SFHVURJKSA-N 1 1 337.416 2.575 20 10 EFCDMO CC(C)(O)[C@H]1CCC[N@H+]1Cc1cc(O)c(Br)cc1O ZINC001236763280 1313524262 /nfs/dbraw/zinc/52/42/62/1313524262.db2.gz XWFJDKSHYWPVNO-CYBMUJFWSA-N 1 1 330.222 2.596 20 10 EFCDMO C[C@H]1C[N@@H+](Cc2cc(O)c(Br)cc2O)CCC[C@@]1(C)O ZINC001236769577 1313525483 /nfs/dbraw/zinc/52/54/83/1313525483.db2.gz 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1313536142 /nfs/dbraw/zinc/53/61/42/1313536142.db2.gz OICYKURZWCTDJQ-HNNXBMFYSA-N 1 1 332.444 2.544 20 10 EFCDMO COc1cc(C)c(C[N@H+]2CCCN(c3ccc(F)cn3)CC2)c(O)c1 ZINC001236819580 1313536355 /nfs/dbraw/zinc/53/63/55/1313536355.db2.gz XCMAKXPYRNWJBE-UHFFFAOYSA-N 1 1 345.418 2.956 20 10 EFCDMO COc1cc(C)c(C[N@H+]2CCCN(C(=O)CC(C)C)CC2)c(O)c1 ZINC001236820293 1313536670 /nfs/dbraw/zinc/53/66/70/1313536670.db2.gz KPDCCBVRBJCTTB-UHFFFAOYSA-N 1 1 334.460 2.790 20 10 EFCDMO COc1cc(C)c(C[N@@H+]2CCO[C@@H](COc3ccccc3)C2)c(O)c1 ZINC001236817701 1313536877 /nfs/dbraw/zinc/53/68/77/1313536877.db2.gz GCSAPKWCLBEQCG-GOSISDBHSA-N 1 1 343.423 2.989 20 10 EFCDMO COc1cc(C)c(C[N@H+]2CCO[C@@H](COc3ccccc3)C2)c(O)c1 ZINC001236817701 1313536880 /nfs/dbraw/zinc/53/68/80/1313536880.db2.gz GCSAPKWCLBEQCG-GOSISDBHSA-N 1 1 343.423 2.989 20 10 EFCDMO Oc1cc2ccccc2cc1CN1CCN(CC[NH+]2CCCC2)CC1 ZINC001236832780 1313538574 /nfs/dbraw/zinc/53/85/74/1313538574.db2.gz LBVUQZZFWOEEIV-UHFFFAOYSA-N 1 1 339.483 2.759 20 10 EFCDMO CCOC(=O)C1=C(O)CC[N@@H+](Cc2cc3ccccc3cc2O)CC1 ZINC001236842516 1313541285 /nfs/dbraw/zinc/54/12/85/1313541285.db2.gz WQEHDBBHEUKSOO-QGZVFWFLSA-N 1 1 341.407 2.890 20 10 EFCDMO CN1CCN(c2cccc(C[N@@H+]3CCc4cccc(O)c4C3)c2)CC1 ZINC001236893991 1313547509 /nfs/dbraw/zinc/54/75/09/1313547509.db2.gz PLJKEAFQUFEJLJ-UHFFFAOYSA-N 1 1 337.467 2.702 20 10 EFCDMO CN1CCN(c2cccc(C[N@H+]3CCc4cccc(O)c4C3)c2)CC1 ZINC001236893991 1313547510 /nfs/dbraw/zinc/54/75/10/1313547510.db2.gz PLJKEAFQUFEJLJ-UHFFFAOYSA-N 1 1 337.467 2.702 20 10 EFCDMO Clc1cc(N2CCOCC2)ccc1C[N@H+]1CCC[C@]2(CCO2)C1 ZINC001236919023 1313553353 /nfs/dbraw/zinc/55/33/53/1313553353.db2.gz KKUCGUUSKJNKIQ-SFHVURJKSA-N 1 1 336.863 2.932 20 10 EFCDMO OC[C@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2Cl)CC1 ZINC001236925996 1313554633 /nfs/dbraw/zinc/55/46/33/1313554633.db2.gz ZYBDVEJNLUJZTK-HNNXBMFYSA-N 1 1 338.879 2.771 20 10 EFCDMO C[C@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2Cl)CC[C@@H]1O ZINC001236926288 1313554717 /nfs/dbraw/zinc/55/47/17/1313554717.db2.gz FBHCWWARZUAKPI-KSSFIOAISA-N 1 1 338.879 2.769 20 10 EFCDMO CC(C)[N@@H+](CCCO)Cc1ccc(N2CCOCC2)cc1Cl ZINC001236928035 1313554779 /nfs/dbraw/zinc/55/47/79/1313554779.db2.gz UIIBPGBHUPTRHR-UHFFFAOYSA-N 1 1 326.868 2.769 20 10 EFCDMO C[N@H+]1C[C@H]2CCCN(Cc3ccc(N4CCOCC4)cc3Cl)[C@@H]2C1 ZINC001236928606 1313555378 /nfs/dbraw/zinc/55/53/78/1313555378.db2.gz XYGLXJRDZMILDC-VQIMIIECSA-N 1 1 349.906 2.703 20 10 EFCDMO C[C@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)CC[C@]1(C)O ZINC001236932428 1313556008 /nfs/dbraw/zinc/55/60/08/1313556008.db2.gz OSMPFZAHXBCEIH-JXFKEZNVSA-N 1 1 349.494 2.560 20 10 EFCDMO C[C@H]1CC[N@H+](Cc2ccc(N3CCN(C)CC3)cc2F)CC[C@]1(C)O ZINC001236932428 1313556011 /nfs/dbraw/zinc/55/60/11/1313556011.db2.gz OSMPFZAHXBCEIH-JXFKEZNVSA-N 1 1 349.494 2.560 20 10 EFCDMO C[C@H]1CC[N@@H+](Cc2ccc(N3CCN(C)CC3)cc2F)CC[C@]1(C)O ZINC001236932428 1313556013 /nfs/dbraw/zinc/55/60/13/1313556013.db2.gz OSMPFZAHXBCEIH-JXFKEZNVSA-N 1 1 349.494 2.560 20 10 EFCDMO COC[C@H]1CCCC[N@@H+]1Cc1ccc(N2CCN(C)CC2)cc1F ZINC001236931258 1313556241 /nfs/dbraw/zinc/55/62/41/1313556241.db2.gz IFNYFYDYOXRPJJ-GOSISDBHSA-N 1 1 335.467 2.578 20 10 EFCDMO COC[C@H]1CCCC[N@H+]1Cc1ccc(N2CCN(C)CC2)cc1F ZINC001236931258 1313556243 /nfs/dbraw/zinc/55/62/43/1313556243.db2.gz IFNYFYDYOXRPJJ-GOSISDBHSA-N 1 1 335.467 2.578 20 10 EFCDMO C[NH+](C)CCN(Cc1cc(Cl)c(Cl)cc1[O-])[C@H]1CCC[NH2+]C1 ZINC001236932966 1313556610 /nfs/dbraw/zinc/55/66/10/1313556610.db2.gz PZRPIKMCUCPHHU-ZDUSSCGKSA-N 1 1 346.302 2.815 20 10 EFCDMO CN1CCN(c2ccc(C[N@@H+]3CC[C@@]4(C3)CCCCO4)c(F)c2)CC1 ZINC001236936919 1313557070 /nfs/dbraw/zinc/55/70/70/1313557070.db2.gz UQVFESBNDMWWOU-HXUWFJFHSA-N 1 1 347.478 2.723 20 10 EFCDMO CN1CCN(c2ccc(C[N@H+]3CC[C@@]4(C3)CCCCO4)c(F)c2)CC1 ZINC001236936919 1313557072 /nfs/dbraw/zinc/55/70/72/1313557072.db2.gz UQVFESBNDMWWOU-HXUWFJFHSA-N 1 1 347.478 2.723 20 10 EFCDMO CN1CCN(c2ccc(C[N@@H+]3CC[C@@H]4CCCO[C@H]4C3)c(F)c2)CC1 ZINC001236935211 1313557296 /nfs/dbraw/zinc/55/72/96/1313557296.db2.gz GMOAOLGFVSNSRE-JXFKEZNVSA-N 1 1 347.478 2.578 20 10 EFCDMO CN1CCN(c2ccc(C[N@H+]3CC[C@@H]4CCCO[C@H]4C3)c(F)c2)CC1 ZINC001236935211 1313557300 /nfs/dbraw/zinc/55/73/00/1313557300.db2.gz GMOAOLGFVSNSRE-JXFKEZNVSA-N 1 1 347.478 2.578 20 10 EFCDMO CN1CCN(c2ccc(C[N@@H+]3CC[C@@]4(CC4(F)F)C3)c(F)c2)CC1 ZINC001236938852 1313557599 /nfs/dbraw/zinc/55/75/99/1313557599.db2.gz OKQBHFMDSKPTIO-QGZVFWFLSA-N 1 1 339.405 2.809 20 10 EFCDMO CN1CCN(c2ccc(C[N@H+]3CC[C@@]4(CC4(F)F)C3)c(F)c2)CC1 ZINC001236938852 1313557601 /nfs/dbraw/zinc/55/76/01/1313557601.db2.gz OKQBHFMDSKPTIO-QGZVFWFLSA-N 1 1 339.405 2.809 20 10 EFCDMO CC1(C)C=Cc2c(O)c(C[N@@H+]3CCN[C@H](C(F)(F)F)C3)ccc2O1 ZINC001236999548 1313568712 /nfs/dbraw/zinc/56/87/12/1313568712.db2.gz LSHFCXBIKJWIEH-AWEZNQCLSA-N 1 1 342.361 2.913 20 10 EFCDMO CC1(C)C=Cc2c(O)c(C[N@H+]3CCN[C@H](C(F)(F)F)C3)ccc2O1 ZINC001236999548 1313568714 /nfs/dbraw/zinc/56/87/14/1313568714.db2.gz LSHFCXBIKJWIEH-AWEZNQCLSA-N 1 1 342.361 2.913 20 10 EFCDMO Oc1c(C[N@@H+]2CCN[C@H](C(F)(F)F)C2)cccc1OC(F)(F)F ZINC001236997248 1313568908 /nfs/dbraw/zinc/56/89/08/1313568908.db2.gz RRNMRPCATFANHE-JTQLQIEISA-N 1 1 344.255 2.627 20 10 EFCDMO Oc1c(C[N@H+]2CCN[C@H](C(F)(F)F)C2)cccc1OC(F)(F)F ZINC001236997248 1313568912 /nfs/dbraw/zinc/56/89/12/1313568912.db2.gz RRNMRPCATFANHE-JTQLQIEISA-N 1 1 344.255 2.627 20 10 EFCDMO COC[C@H]1Cn2ccnc2C[N@@H+](Cc2ccc(C(C)C)cc2O)C1 ZINC001237050496 1313576205 /nfs/dbraw/zinc/57/62/05/1313576205.db2.gz FNQBAERICADIIA-OAHLLOKOSA-N 1 1 329.444 2.991 20 10 EFCDMO CCOC[C@@H]1Cn2nccc2C[N@@H+](Cc2ccc(OCC)cc2O)C1 ZINC001237039697 1313573154 /nfs/dbraw/zinc/57/31/54/1313573154.db2.gz AJEHQOOUZSXIJM-HNNXBMFYSA-N 1 1 345.443 2.656 20 10 EFCDMO CCOc1ccc(C[N@H+]2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC2)c(O)c1 ZINC001237039624 1313573184 /nfs/dbraw/zinc/57/31/84/1313573184.db2.gz AWOZEBBMLBZROY-ROUUACIJSA-N 1 1 344.455 2.766 20 10 EFCDMO CCOc1ccc(C[N@H+]2CCc3ncnc(CC)c3CC2)c(O)c1 ZINC001237040958 1313573262 /nfs/dbraw/zinc/57/32/62/1313573262.db2.gz NBYRBKMLAPJUJR-UHFFFAOYSA-N 1 1 327.428 2.744 20 10 EFCDMO CCOc1ccc(C[N@H+]2CC[C@H]3[C@H](CCN3C(=O)C(C)C)C2)c(O)c1 ZINC001237040319 1313573362 /nfs/dbraw/zinc/57/33/62/1313573362.db2.gz GQNXALMDDDFEGF-QAPCUYQASA-N 1 1 346.471 2.870 20 10 EFCDMO CCOC[C@H]1C[N@@H+](Cc2ccc(OCC)cc2O)Cc2cnn(C)c21 ZINC001237040361 1313573753 /nfs/dbraw/zinc/57/37/53/1313573753.db2.gz HLPCWCQIOWUDAN-MRXNPFEDSA-N 1 1 345.443 2.660 20 10 EFCDMO CCOc1ccc(C[N@H+]2CC[C@]3(C[C@@H](OCC4CC4)CO3)C2)c(O)c1 ZINC001237042482 1313573943 /nfs/dbraw/zinc/57/39/43/1313573943.db2.gz WJQHYIVPNFLLPQ-QUCCMNQESA-N 1 1 347.455 2.951 20 10 EFCDMO CCOc1ccc(CN2CCC([N@@H+](CC)[C@@H]3CCOC3)CC2)c(O)c1 ZINC001237043434 1313574000 /nfs/dbraw/zinc/57/40/00/1313574000.db2.gz OCUAJMLTRUZXEN-GOSISDBHSA-N 1 1 348.487 2.866 20 10 EFCDMO CCOC[C@H]1C[N@@H+](Cc2ccc(OCC)cc2O)Cc2cn(C)nc21 ZINC001237043036 1313574228 /nfs/dbraw/zinc/57/42/28/1313574228.db2.gz MWLRKUVGGAEWMD-MRXNPFEDSA-N 1 1 345.443 2.660 20 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EFCDMO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](S(C)(=O)=O)CC2)cc1 ZINC000800534003 1308073188 /nfs/dbraw/zinc/07/31/88/1308073188.db2.gz IKNWPYDYXJYIMA-SFHVURJKSA-N 1 1 338.517 2.932 20 10 EFCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@H](S(C)(=O)=O)CC2)cc1 ZINC000800534003 1308073191 /nfs/dbraw/zinc/07/31/91/1308073191.db2.gz IKNWPYDYXJYIMA-SFHVURJKSA-N 1 1 338.517 2.932 20 10 EFCDMO OCCNc1ncc(-c2[nH+]ccc3c2ccn3Cc2ccccc2)cn1 ZINC001242832864 1314237888 /nfs/dbraw/zinc/23/78/88/1314237888.db2.gz SXNSVWZVHFWYFC-UHFFFAOYSA-N 1 1 345.406 2.946 20 10 EFCDMO CCOc1cccc(C[N@@H+]2CCN[C@@H](Cc3ccccc3)C2)c1O ZINC001210312237 1314312571 /nfs/dbraw/zinc/31/25/71/1314312571.db2.gz WOVDZLICIVQFRV-SFHVURJKSA-N 1 1 326.440 2.807 20 10 EFCDMO CCOc1cccc(C[N@H+]2CCN[C@@H](Cc3ccccc3)C2)c1O ZINC001210312237 1314312574 /nfs/dbraw/zinc/31/25/74/1314312574.db2.gz WOVDZLICIVQFRV-SFHVURJKSA-N 1 1 326.440 2.807 20 10 EFCDMO CCOc1ccc(C[N@@H+]2CCN[C@H](Cc3ccccc3)C2)c(O)c1 ZINC001210382114 1314324649 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C[C@H]1CN(Cc2ccc(N3CCCC3)cc2)CC[N@H+]1CC(C)(C)O ZINC001326060451 1329731684 /nfs/dbraw/zinc/73/16/84/1329731684.db2.gz JFTZNHFGGXGZPY-KRWDZBQOSA-N 1 1 331.504 2.564 20 10 EFCDMO CC(C)CNC(=O)CCC[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC001327863118 1330523712 /nfs/dbraw/zinc/52/37/12/1330523712.db2.gz DKQSYGDNNFPPHK-UHFFFAOYSA-N 1 1 347.503 2.507 20 10 EFCDMO C[C@@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)[C@@H]1CC[NH3+] ZINC001328644445 1330611481 /nfs/dbraw/zinc/61/14/81/1330611481.db2.gz ZDRKVGHUTNWBHN-VQIMIIECSA-N 1 1 348.510 2.527 20 10 EFCDMO CO[C@H]1CCC[N@@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)CC1 ZINC001328654822 1330612483 /nfs/dbraw/zinc/61/24/83/1330612483.db2.gz FIGWGSJMEDSOBR-KRWDZBQOSA-N 1 1 335.467 2.578 20 10 EFCDMO Oc1cc(Br)ccc1C[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC001328757926 1330627220 /nfs/dbraw/zinc/62/72/20/1330627220.db2.gz BPLBCKUFUNDJKY-CYBMUJFWSA-N 1 1 337.221 2.583 20 10 EFCDMO CCC(O)(CC)C[N@@H+](C)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001329537153 1330716731 /nfs/dbraw/zinc/71/67/31/1330716731.db2.gz IUGZXCRTYMKJFX-UHFFFAOYSA-N 1 1 337.483 2.560 20 10 EFCDMO CC(=O)Nc1ccc(C[NH2+]Cc2cc(F)c(N(C)C)cc2F)cn1 ZINC001329732118 1330731619 /nfs/dbraw/zinc/73/16/19/1330731619.db2.gz SWERYGDFPOWSHN-UHFFFAOYSA-N 1 1 334.370 2.674 20 10 EFCDMO COc1cncc(NCc2ccc(N3CC[NH+](C)CC3)c(F)c2)c1 ZINC001331875186 1330884010 /nfs/dbraw/zinc/88/40/10/1330884010.db2.gz YYICDRFFUQPUCC-UHFFFAOYSA-N 1 1 330.407 2.593 20 10 EFCDMO CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001335924272 1331417157 /nfs/dbraw/zinc/41/71/57/1331417157.db2.gz ZXGSAPKARROCHP-CQSZACIVSA-N 1 1 325.449 2.615 20 10 EFCDMO CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001335924271 1331417214 /nfs/dbraw/zinc/41/72/14/1331417214.db2.gz ZXGSAPKARROCHP-AWEZNQCLSA-N 1 1 325.449 2.615 20 10 EFCDMO CC[N@@H+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1ccc(N)cc1 ZINC001336116925 1331436921 /nfs/dbraw/zinc/43/69/21/1331436921.db2.gz HUQKSOJRIOIUPN-UHFFFAOYSA-N 1 1 341.411 2.501 20 10 EFCDMO Cc1cc(C(=O)NC[C@H]2CCCC[N@@H+]2C)c(C)n1-c1ccccn1 ZINC001336204004 1331446223 /nfs/dbraw/zinc/44/62/23/1331446223.db2.gz RRIOEOBCNYZZEQ-MRXNPFEDSA-N 1 1 326.444 2.703 20 10 EFCDMO Nc1cc(N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)nc[nH+]1 ZINC001336531148 1331481671 /nfs/dbraw/zinc/48/16/71/1331481671.db2.gz FOQWTHSHIRGUPM-LLVKDONJSA-N 1 1 335.358 2.741 20 10 EFCDMO Nc1cc(N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)[nH+]cn1 ZINC001336531148 1331481673 /nfs/dbraw/zinc/48/16/73/1331481673.db2.gz FOQWTHSHIRGUPM-LLVKDONJSA-N 1 1 335.358 2.741 20 10 EFCDMO COc1ccc(O)c([C@@H](C)NC(=O)C[N@H+](C)Cc2ccccc2)c1 ZINC001338562005 1331716457 /nfs/dbraw/zinc/71/64/57/1331716457.db2.gz PBXLWFMAQLODGG-CQSZACIVSA-N 1 1 328.412 2.710 20 10 EFCDMO COc1ccc(O)c([C@@H](C)NC(=O)C[N@@H+](C)Cc2ccccc2)c1 ZINC001338562005 1331716462 /nfs/dbraw/zinc/71/64/62/1331716462.db2.gz PBXLWFMAQLODGG-CQSZACIVSA-N 1 1 328.412 2.710 20 10 EFCDMO CCn1c(C2SC=CC2=O)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC001340903199 1332219145 /nfs/dbraw/zinc/21/91/45/1332219145.db2.gz NBNCOGSPLOGMMZ-NWDGAFQWSA-N 1 1 335.477 2.651 20 10 EFCDMO CCn1c(C2SC=CC2=O)nnc1N1C[C@H](C)[N@@H+](CC)C[C@H]1C ZINC001340903199 1332219147 /nfs/dbraw/zinc/21/91/47/1332219147.db2.gz NBNCOGSPLOGMMZ-NWDGAFQWSA-N 1 1 335.477 2.651 20 10 EFCDMO CC[C@H]1CO[C@@H](C)CN1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001341523432 1332265411 /nfs/dbraw/zinc/26/54/11/1332265411.db2.gz BFKPFFHVWVDNSB-RDJZCZTQSA-N 1 1 335.467 2.577 20 10 EFCDMO C[C@H]1c2cccn2CCN1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001341524420 1332265572 /nfs/dbraw/zinc/26/55/72/1332265572.db2.gz SHEPZJQEVSBKKF-INIZCTEOSA-N 1 1 342.462 2.956 20 10 EFCDMO CCC[N@@H+](Cc1ccc(N2CCCC2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC001341524445 1332265717 /nfs/dbraw/zinc/26/57/17/1332265717.db2.gz SPHXBXQVHMAEEM-GOSISDBHSA-N 1 1 336.501 2.686 20 10 EFCDMO Nc1ccc(CNC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)cc1 ZINC001342018959 1332295532 /nfs/dbraw/zinc/29/55/32/1332295532.db2.gz CDSCLXHTWCVBNF-GOSISDBHSA-N 1 1 341.480 2.675 20 10 EFCDMO COc1ccc(N2CCC[N@@H+](Cc3cccnc3N(C)C)CC2)cc1 ZINC001343225059 1332342675 /nfs/dbraw/zinc/34/26/75/1332342675.db2.gz SWESZNMDOUWDGC-UHFFFAOYSA-N 1 1 340.471 2.869 20 10 EFCDMO C[C@H]1CCCN(C(=O)CC[NH2+]Cc2c(O)ccc(Cl)c2F)C1 ZINC001343559665 1332357169 /nfs/dbraw/zinc/35/71/69/1332357169.db2.gz KFMWAUQKHFKSMN-NSHDSACASA-N 1 1 328.815 2.923 20 10 EFCDMO COc1ccc(CN2CCC[N@H+](C3CCCC3)CC2)c(O)c1OC ZINC001351947767 1333329615 /nfs/dbraw/zinc/32/96/15/1333329615.db2.gz HGGWFGZANKWTKC-UHFFFAOYSA-N 1 1 334.460 2.860 20 10 EFCDMO CN(C)c1ccc(CNC(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000847276600 1333471425 /nfs/dbraw/zinc/47/14/25/1333471425.db2.gz LQCRAGZSZSBOGU-ROUUACIJSA-N 1 1 330.476 2.569 20 10 EFCDMO COc1ccc(O)c(CNC(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)c1 ZINC000847590764 1333961967 /nfs/dbraw/zinc/96/19/67/1333961967.db2.gz GZBSKPHXEVAVNV-KRWDZBQOSA-N 1 1 348.830 2.973 20 10 EFCDMO COc1ccc(CNC(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)c(O)c1 ZINC000848022591 1334167319 /nfs/dbraw/zinc/16/73/19/1334167319.db2.gz DTGOYIHVEHOESL-KRWDZBQOSA-N 1 1 348.830 2.973 20 10 EFCDMO CCc1cccc(C[NH+]2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)c1O ZINC000848884169 1334960021 /nfs/dbraw/zinc/96/00/21/1334960021.db2.gz ZFPJIULSYWXHGO-HDICACEKSA-N 1 1 345.531 2.945 20 10 EFCDMO CCc1cccc(CN2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)c1O ZINC000848884169 1334960024 /nfs/dbraw/zinc/96/00/24/1334960024.db2.gz ZFPJIULSYWXHGO-HDICACEKSA-N 1 1 345.531 2.945 20 10 EFCDMO CCc1cccc(CN2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)c1O ZINC000848884169 1334960027 /nfs/dbraw/zinc/96/00/27/1334960027.db2.gz ZFPJIULSYWXHGO-HDICACEKSA-N 1 1 345.531 2.945 20 10 EFCDMO CCc1cccc(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)c1O ZINC000848889528 1334963884 /nfs/dbraw/zinc/96/38/84/1334963884.db2.gz KPVWDXJYHQDZAB-QZTJIDSGSA-N 1 1 329.444 2.776 20 10 EFCDMO CCc1cccc(C[N@@H+](C)CCN2C(=O)c3ccccc3C2=O)c1O ZINC000848889425 1334963930 /nfs/dbraw/zinc/96/39/30/1334963930.db2.gz KORFSNKTIIAYMA-UHFFFAOYSA-N 1 1 338.407 2.683 20 10 EFCDMO CCc1cccc(C[N@H+]2CCC[C@H]([C@H](O)c3nccn3C)C2)c1O ZINC000848890198 1334964578 /nfs/dbraw/zinc/96/45/78/1334964578.db2.gz PXIOBNNKHVABLI-WMZOPIPTSA-N 1 1 329.444 2.634 20 10 EFCDMO CCc1cccc(C[NH2+]C2CCN([C@@H]3CCCC[C@H]3O)CC2)c1O ZINC000848899988 1334972525 /nfs/dbraw/zinc/97/25/25/1334972525.db2.gz WIACSLXFQUVSGG-RTBURBONSA-N 1 1 332.488 2.812 20 10 EFCDMO O=C1CCCN1[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000160177898 712909771 /nfs/dbraw/zinc/90/97/71/712909771.db2.gz NWYNHQXPIJGYGG-GOSISDBHSA-N 1 1 328.456 2.858 20 10 EFCDMO Cc1ccc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)c(O)c1O ZINC000177659738 713891090 /nfs/dbraw/zinc/89/10/90/713891090.db2.gz QGJPVRLKXIHQNF-OAHLLOKOSA-N 1 1 344.411 2.956 20 10 EFCDMO Cc1ccc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)c(O)c1O ZINC000177659728 713891126 /nfs/dbraw/zinc/89/11/26/713891126.db2.gz QGJPVRLKXIHQNF-HNNXBMFYSA-N 1 1 344.411 2.956 20 10 EFCDMO COC(=O)CC[N@H+](Cc1ccc(N2CCOCC2)cc1)CC(C)C ZINC000091922731 714052942 /nfs/dbraw/zinc/05/29/42/714052942.db2.gz WLDNAVBPWYSMNY-UHFFFAOYSA-N 1 1 334.460 2.544 20 10 EFCDMO CC[C@H](F)C[NH+]1CC([C@@H](C)NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000970954095 714177340 /nfs/dbraw/zinc/17/73/40/714177340.db2.gz KCVONNFHYKYZEL-RISCZKNCSA-N 1 1 349.410 2.647 20 10 EFCDMO Cc1ccc(C)n1-c1ccc(C(=O)NCCC[NH+]2CCOCC2)cc1 ZINC000036146957 714426604 /nfs/dbraw/zinc/42/66/04/714426604.db2.gz CDFMZJVWFIPCQR-UHFFFAOYSA-N 1 1 341.455 2.546 20 10 EFCDMO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000160766032 714463908 /nfs/dbraw/zinc/46/39/08/714463908.db2.gz UDVJJVBZQSHQTI-GOSISDBHSA-N 1 1 344.503 2.768 20 10 EFCDMO CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccc(N=NC(N)=O)cc3)C[C@H]2C1 ZINC000980251898 717981061 /nfs/dbraw/zinc/98/10/61/717981061.db2.gz HBLAPUNQLLBRFE-OFQRWUPVSA-N 1 1 343.431 2.699 20 10 EFCDMO COc1ccc(C[N@@H+](C)C[C@@H]2COc3ccccc3O2)c(O)c1OC ZINC000891483926 714778409 /nfs/dbraw/zinc/77/84/09/714778409.db2.gz XTKGNAAUPQQJDQ-CQSZACIVSA-N 1 1 345.395 2.681 20 10 EFCDMO COc1ccc(C[N@@H+](C)Cc2ccc3c(c2)OCCO3)c(O)c1OC ZINC000891488090 714780478 /nfs/dbraw/zinc/78/04/78/714780478.db2.gz RKTYJTXMIOLBLL-UHFFFAOYSA-N 1 1 345.395 2.813 20 10 EFCDMO COc1ccc(C[N@@H+](C)Cc2ccc3c(c2)OCO3)c(O)c1OC ZINC000891512717 714794427 /nfs/dbraw/zinc/79/44/27/714794427.db2.gz VTMDNHMWJAUESS-UHFFFAOYSA-N 1 1 331.368 2.770 20 10 EFCDMO Cc1cc(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)cnc1F ZINC000891526685 714800973 /nfs/dbraw/zinc/80/09/73/714800973.db2.gz NYHKIKSXAOLHIC-UHFFFAOYSA-N 1 1 329.419 2.998 20 10 EFCDMO COc1ccc(N2CC[NH+](C[C@H](O)c3cccc(F)c3)CC2)cc1F ZINC000084866822 714955035 /nfs/dbraw/zinc/95/50/35/714955035.db2.gz LDQZJINORURLEH-SFHVURJKSA-N 1 1 348.393 2.829 20 10 EFCDMO Cc1cc(N(C)C)ccc1CNC(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000085405843 714967966 /nfs/dbraw/zinc/96/79/66/714967966.db2.gz QCNJUTGUNMOCKG-YJBOKZPZSA-N 1 1 332.492 2.543 20 10 EFCDMO COc1ccc(C[N@H+]2CCC[C@@H](c3ccnn3C)C2)c(O)c1OC ZINC000891755004 714998773 /nfs/dbraw/zinc/99/87/73/714998773.db2.gz SGQFNDZABGAWAY-CYBMUJFWSA-N 1 1 331.416 2.523 20 10 EFCDMO COc1ccc(C[N@H+]2CCc3ccc(O)cc3CC2)c(O)c1OC ZINC000891847896 715060776 /nfs/dbraw/zinc/06/07/76/715060776.db2.gz SRNQBTCOQVNVEA-UHFFFAOYSA-N 1 1 329.396 2.716 20 10 EFCDMO COc1ccc(C[N@H+](C)Cc2nc3ccccc3n2C)c(O)c1OC ZINC000892033909 715227076 /nfs/dbraw/zinc/22/70/76/715227076.db2.gz VYLUOOMIMFYFCH-UHFFFAOYSA-N 1 1 341.411 2.928 20 10 EFCDMO COc1ccc(C[N@@H+](C)Cc2nc3ccccc3n2C)c(O)c1OC ZINC000892033909 715227078 /nfs/dbraw/zinc/22/70/78/715227078.db2.gz VYLUOOMIMFYFCH-UHFFFAOYSA-N 1 1 341.411 2.928 20 10 EFCDMO COc1ccc(C[N@@H+]2CCC[C@@H]2C(=O)OC(C)(C)C)c(O)c1OC ZINC000892121884 715263524 /nfs/dbraw/zinc/26/35/24/715263524.db2.gz WSPOUCWLMOCUCE-CYBMUJFWSA-N 1 1 337.416 2.716 20 10 EFCDMO COc1ccc(C[N@H+]2CCC[C@@H]2C(=O)OC(C)(C)C)c(O)c1OC ZINC000892121884 715263526 /nfs/dbraw/zinc/26/35/26/715263526.db2.gz WSPOUCWLMOCUCE-CYBMUJFWSA-N 1 1 337.416 2.716 20 10 EFCDMO COc1ccc(C[N@H+]2CCC[C@@H]2c2cn(C)nc2C)c(O)c1OC ZINC000892222834 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CCC[N@H+]1CCC[C@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001023770084 716990460 /nfs/dbraw/zinc/99/04/60/716990460.db2.gz PAJRXMJBEYRCOX-CYBMUJFWSA-N 1 1 331.420 2.701 20 10 EFCDMO COc1cc(Br)cc(CNCC[C@H](C)[NH+](C)C)c1O ZINC000895300033 724007224 /nfs/dbraw/zinc/00/72/24/724007224.db2.gz RIDYDCFABVYCDK-JTQLQIEISA-N 1 1 331.254 2.593 20 10 EFCDMO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H](CCC(N)=O)C2)c1O ZINC000177104578 717795835 /nfs/dbraw/zinc/79/58/35/717795835.db2.gz BEHQKLXOKFDMDN-GFCCVEGCSA-N 1 1 338.835 2.726 20 10 EFCDMO Cc1ccc(C(=O)NCCC[N@H+]2CCc3ccccc3C2)c(O)c1O ZINC000177670923 718154944 /nfs/dbraw/zinc/15/49/44/718154944.db2.gz GIPGNIVOVRPDSC-UHFFFAOYSA-N 1 1 340.423 2.584 20 10 EFCDMO CCN(CC)c1ccc(CNC(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1 ZINC000177708341 718174730 /nfs/dbraw/zinc/17/47/30/718174730.db2.gz KTFJZFUPKDMLNQ-DOTOQJQBSA-N 1 1 344.503 2.957 20 10 EFCDMO CCN(CC)c1ccc(CNC(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1 ZINC000177708380 718174835 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Cc1cc(C[NH2+]Cc2cc(F)cc(F)c2O)nc(N2CCCC2)n1 ZINC000894846738 722891722 /nfs/dbraw/zinc/89/17/22/722891722.db2.gz JRWHFAXRYKAUOC-UHFFFAOYSA-N 1 1 334.370 2.659 20 10 EFCDMO Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000141066581 723010236 /nfs/dbraw/zinc/01/02/36/723010236.db2.gz XNJWFJQRUQHSAD-MJGOQNOKSA-N 1 1 344.503 2.687 20 10 EFCDMO NC(=O)[C@]1(c2ccccc2)CC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000895005326 723046795 /nfs/dbraw/zinc/04/67/95/723046795.db2.gz XQCKLCFAPLXCJK-GOSISDBHSA-N 1 1 330.815 2.675 20 10 EFCDMO CCN1CCN(C[C@@H](C)C[NH2+][C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000121177323 723132156 /nfs/dbraw/zinc/13/21/56/723132156.db2.gz BFBCRVDMCYEGHR-ZWKOTPCHSA-N 1 1 332.536 2.677 20 10 EFCDMO Cc1cc(Br)c(O)c(C[N@@H+]2CC[C@H](C3OCCO3)C2)c1 ZINC000896387815 723278434 /nfs/dbraw/zinc/27/84/34/723278434.db2.gz WCGZFPZVFOLMSA-NSHDSACASA-N 1 1 342.233 2.658 20 10 EFCDMO Cc1cc(Br)c(O)c(C[N@H+]2CC[C@H](C3OCCO3)C2)c1 ZINC000896387815 723278441 /nfs/dbraw/zinc/27/84/41/723278441.db2.gz WCGZFPZVFOLMSA-NSHDSACASA-N 1 1 342.233 2.658 20 10 EFCDMO COc1c(O)c(C[NH2+]Cc2ccc3c(c2)C[C@@H](C)O3)ccc1[N+](=O)[O-] ZINC000896829328 723514897 /nfs/dbraw/zinc/51/48/97/723514897.db2.gz QPAMNDPQMXHVBH-LLVKDONJSA-N 1 1 344.367 2.922 20 10 EFCDMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)NCCCSc1nccs1 ZINC000154650739 728842896 /nfs/dbraw/zinc/84/28/96/728842896.db2.gz NTTIBVOXHUBTGT-ZDUSSCGKSA-N 1 1 342.534 2.607 20 10 EFCDMO CCOC(=O)[C@@H]1CC[N@@H+](Cc2cc(Br)cc(F)c2[O-])C1 ZINC000896955351 723912573 /nfs/dbraw/zinc/91/25/73/723912573.db2.gz HWQATBCEXFOFMI-SECBINFHSA-N 1 1 346.196 2.679 20 10 EFCDMO CCOC(=O)[C@@H]1CCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC000896955351 723912575 /nfs/dbraw/zinc/91/25/75/723912575.db2.gz HWQATBCEXFOFMI-SECBINFHSA-N 1 1 346.196 2.679 20 10 EFCDMO COc1cccc(C[N@H+]2CCC[C@@H](CNC(=O)C(C)(C)C)C2)c1O ZINC000093281838 724040061 /nfs/dbraw/zinc/04/00/61/724040061.db2.gz DNAVXULZNCUQNZ-AWEZNQCLSA-N 1 1 334.460 2.775 20 10 EFCDMO COc1ccc(C[N@H+]2CCOC(C3CC3)(C3CC3)C2)c(O)c1OC ZINC000895438106 724133828 /nfs/dbraw/zinc/13/38/28/724133828.db2.gz NGILFFQOOKYAAT-UHFFFAOYSA-N 1 1 333.428 2.800 20 10 EFCDMO Oc1cc(F)c(Cl)cc1C[NH+]1CCC2(CC1)C[C@@H](O)CCO2 ZINC000897259650 724140139 /nfs/dbraw/zinc/14/01/39/724140139.db2.gz TZMMESVICLKQSY-LBPRGKRZSA-N 1 1 329.799 2.691 20 10 EFCDMO COc1ccc(CN2CCCC[C@H]2[C@@H](C)C[NH+](C)C)c(O)c1OC ZINC000895508081 724163936 /nfs/dbraw/zinc/16/39/36/724163936.db2.gz DXDVRVLZLVFTIK-HOCLYGCPSA-N 1 1 336.476 2.962 20 10 EFCDMO COc1ccc(C[N@@H+]2CCCC[C@H]2[C@@H](C)CN(C)C)c(O)c1OC ZINC000895508081 724163937 /nfs/dbraw/zinc/16/39/37/724163937.db2.gz DXDVRVLZLVFTIK-HOCLYGCPSA-N 1 1 336.476 2.962 20 10 EFCDMO COc1ccc(C[N@H+]2CCCC[C@H]2[C@@H](C)CN(C)C)c(O)c1OC ZINC000895508081 724163939 /nfs/dbraw/zinc/16/39/39/724163939.db2.gz DXDVRVLZLVFTIK-HOCLYGCPSA-N 1 1 336.476 2.962 20 10 EFCDMO C[C@@H](Cc1ccc(O)cc1)[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000895606833 724221354 /nfs/dbraw/zinc/22/13/54/724221354.db2.gz GOIOWOPUSLFMBT-KRWDZBQOSA-N 1 1 339.483 2.865 20 10 EFCDMO Cc1ccc(CCC[NH2+]Cc2ccc(N3CCN(C)CC3)cc2)cn1 ZINC000895607091 724221848 /nfs/dbraw/zinc/22/18/48/724221848.db2.gz KVMVLQXFWGUENZ-UHFFFAOYSA-N 1 1 338.499 2.864 20 10 EFCDMO CC(C)(C)[N@H+]1CC[C@@H]1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000895772485 724307070 /nfs/dbraw/zinc/30/70/70/724307070.db2.gz RXHULIGMBCPAQM-QGZVFWFLSA-N 1 1 347.528 2.729 20 10 EFCDMO CCC[N@H+]1CC[C@H](CNC(=O)NCCCSc2nccs2)C1 ZINC000152802261 726259747 /nfs/dbraw/zinc/25/97/47/726259747.db2.gz ZPNFTQPPCRRPHL-CYBMUJFWSA-N 1 1 342.534 2.656 20 10 EFCDMO CN(C)c1ccc(CNC(=O)C[N@H+](C)CCc2ccccc2F)cc1 ZINC000731670931 726911951 /nfs/dbraw/zinc/91/19/51/726911951.db2.gz IMJDJMWBACBZGF-UHFFFAOYSA-N 1 1 343.446 2.682 20 10 EFCDMO CN(C)c1ccc(CNC(=O)C[N@@H+](C)CCc2ccccc2F)cc1 ZINC000731670931 726911952 /nfs/dbraw/zinc/91/19/52/726911952.db2.gz IMJDJMWBACBZGF-UHFFFAOYSA-N 1 1 343.446 2.682 20 10 EFCDMO C[C@H](C(=O)NCCc1ccc(F)cc1)[N@@H+](C)Cc1ccccc1O ZINC000731843125 726941500 /nfs/dbraw/zinc/94/15/00/726941500.db2.gz XPQRFXSPUDCOET-CQSZACIVSA-N 1 1 330.403 2.711 20 10 EFCDMO Cc1cccc(NCCNC(=O)NCc2ccc(N(C)C)c(F)c2)[nH+]1 ZINC000915365429 726963781 /nfs/dbraw/zinc/96/37/81/726963781.db2.gz FAQZKXUUQPZTNN-UHFFFAOYSA-N 1 1 345.422 2.506 20 10 EFCDMO O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)C1=CC(=O)CS1 ZINC000732274842 727013688 /nfs/dbraw/zinc/01/36/88/727013688.db2.gz BAQFHQMVHXBEJF-UHFFFAOYSA-N 1 1 332.425 2.581 20 10 EFCDMO CN(C)c1ccc(C[N@@H+](C)CCn2cc(Br)cn2)cc1 ZINC000732408516 727069896 /nfs/dbraw/zinc/06/98/96/727069896.db2.gz LVZRQLLEUDYXFY-UHFFFAOYSA-N 1 1 337.265 2.844 20 10 EFCDMO CN(C)c1ccc(CN(C)C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000916574278 727697743 /nfs/dbraw/zinc/69/77/43/727697743.db2.gz YFSXPDGTRCDEFW-FUHWJXTLSA-N 1 1 330.476 2.521 20 10 EFCDMO CN(C)c1ccc(C[N@@H+](C[C@H](O)COCc2ccco2)C2CC2)cc1 ZINC000917014231 727754933 /nfs/dbraw/zinc/75/49/33/727754933.db2.gz PDLLNYRUNLIEBA-IBGZPJMESA-N 1 1 344.455 2.888 20 10 EFCDMO C[C@@H]1CCCN(C(=O)C[N@@H+](Cc2ccc(N(C)C)cc2)C2CC2)C1 ZINC000917073916 727763436 /nfs/dbraw/zinc/76/34/36/727763436.db2.gz HRKXDVCPVBLQMI-MRXNPFEDSA-N 1 1 329.488 2.976 20 10 EFCDMO C[C@@H]1[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CCC[N@H+]1CC1CC1 ZINC000994497654 727772103 /nfs/dbraw/zinc/77/21/03/727772103.db2.gz QORRCBGRFVLTGX-MLGOLLRUSA-N 1 1 343.431 2.842 20 10 EFCDMO C[C@@H]1[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CCC[N@H+]1CC1CC1 ZINC000994497656 727772129 /nfs/dbraw/zinc/77/21/29/727772129.db2.gz QORRCBGRFVLTGX-WBMJQRKESA-N 1 1 343.431 2.842 20 10 EFCDMO C[C@H]1C[C@H](NC(=O)NCCCSc2nccs2)C[N@H+]1C1CC1 ZINC000154409565 727811627 /nfs/dbraw/zinc/81/16/27/727811627.db2.gz AJCSELMRQVEGLZ-RYUDHWBXSA-N 1 1 340.518 2.550 20 10 EFCDMO Cc1ccc(C(=O)N[C@H](C)C[N@@H+](C)Cc2ccccc2)c(O)c1O ZINC000182991937 727919865 /nfs/dbraw/zinc/91/98/65/727919865.db2.gz SYTFCKUEXSLXEG-CQSZACIVSA-N 1 1 328.412 2.657 20 10 EFCDMO COc1cc(C)cc(C[NH+]2CCN([C@@H](C)C(F)(F)F)CC2)c1O ZINC000164457368 727947579 /nfs/dbraw/zinc/94/75/79/727947579.db2.gz JIUNGNKJWQRIGD-LBPRGKRZSA-N 1 1 332.366 2.778 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Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000349606757 475978453 /nfs/dbraw/zinc/97/84/53/475978453.db2.gz BPIGDOKDWJFFDN-SUMWQHHRSA-N 1 1 340.471 2.769 20 10 EFCDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000085391983 472242432 /nfs/dbraw/zinc/24/24/32/472242432.db2.gz RMRJLVAJHPCCCU-APWZRJJASA-N 1 1 344.503 2.768 20 10 EFCDMO C[N@H+](Cc1ccc(N2CCOCC2)cc1)C[C@H](O)c1ccccc1F ZINC000076549227 472365655 /nfs/dbraw/zinc/36/56/55/472365655.db2.gz LQRAHAQTIRYEIG-FQEVSTJZSA-N 1 1 344.430 2.828 20 10 EFCDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@@H]2C(=O)NCc2ccco2)c1 ZINC000128245830 472423968 /nfs/dbraw/zinc/42/39/68/472423968.db2.gz PFRGFQPBZQTEAE-QGZVFWFLSA-N 1 1 344.411 2.665 20 10 EFCDMO COC(=O)c1ccc([C@H](C)[NH+]2CCN(c3ccc(OC)cc3)CC2)o1 ZINC000032825163 472472673 /nfs/dbraw/zinc/47/26/73/472472673.db2.gz JWTNWVJWGXRAEX-AWEZNQCLSA-N 1 1 344.411 2.958 20 10 EFCDMO CCOc1cccc(C[NH+]2CCN(C(=O)c3ccccc3)CC2)c1O ZINC000154966252 472491573 /nfs/dbraw/zinc/49/15/73/472491573.db2.gz JJXLMAGFRXZZLV-UHFFFAOYSA-N 1 1 340.423 2.749 20 10 EFCDMO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@@](C)(O)c1ccccc1 ZINC000119407295 472553073 /nfs/dbraw/zinc/55/30/73/472553073.db2.gz QNSFKCZCSCLGSR-OAQYLSRUSA-N 1 1 340.467 2.863 20 10 EFCDMO CC[N@@H+](CCNC(=O)c1cc(C)n(-c2ccccn2)c1C)C1CC1 ZINC000101957500 472558250 /nfs/dbraw/zinc/55/82/50/472558250.db2.gz XMWMXFPZAPVTIR-UHFFFAOYSA-N 1 1 326.444 2.703 20 10 EFCDMO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000129881914 472570642 /nfs/dbraw/zinc/57/06/42/472570642.db2.gz FPLLZXXWBVFYEF-WBVHZDCISA-N 1 1 344.503 2.909 20 10 EFCDMO CCCN(Cc1ccccc1O)C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000130717072 472623769 /nfs/dbraw/zinc/62/37/69/472623769.db2.gz HHBTYRNMNCCZNF-GDBMZVCRSA-N 1 1 331.460 2.939 20 10 EFCDMO Cc1cc(Br)cc(C[N@H+](C)[C@@H](C)C[S@](C)=O)c1O ZINC000130907200 472634079 /nfs/dbraw/zinc/63/40/79/472634079.db2.gz XEQZCMOFEFGVLG-XTZNXHDOSA-N 1 1 334.279 2.662 20 10 EFCDMO Cc1nsc(N2CCC[N@@H+](Cc3c(O)cccc3Cl)CC2)n1 ZINC000131811776 472694994 /nfs/dbraw/zinc/69/49/94/472694994.db2.gz IAMBCOXJLYJVGK-UHFFFAOYSA-N 1 1 338.864 2.918 20 10 EFCDMO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)Cc1cc(=O)c(O)co1 ZINC000078730475 472760742 /nfs/dbraw/zinc/76/07/42/472760742.db2.gz ZYCKMLOFZZXCKU-UHFFFAOYSA-N 1 1 328.412 2.968 20 10 EFCDMO C[N@H+](Cc1ccc(N2CCCCC2)cc1)Cc1cc(=O)c(O)co1 ZINC000078730475 472760744 /nfs/dbraw/zinc/76/07/44/472760744.db2.gz ZYCKMLOFZZXCKU-UHFFFAOYSA-N 1 1 328.412 2.968 20 10 EFCDMO CCC[N@@H+](Cc1ccccc1O)[C@H](C)C(=O)NC(=O)NC(C)(C)C ZINC000157068231 472782591 /nfs/dbraw/zinc/78/25/91/472782591.db2.gz QRKYYLKOMOAWGU-CYBMUJFWSA-N 1 1 335.448 2.617 20 10 EFCDMO Cc1ccc(S(=O)(=O)CCC[N@@H+](C)Cc2ccccc2O)cc1 ZINC000091619339 472783253 /nfs/dbraw/zinc/78/32/53/472783253.db2.gz PWDBFHHPVVFEDO-UHFFFAOYSA-N 1 1 333.453 2.996 20 10 EFCDMO Cc1ccc(S(=O)(=O)CCC[N@H+](C)Cc2ccccc2O)cc1 ZINC000091619339 472783256 /nfs/dbraw/zinc/78/32/56/472783256.db2.gz PWDBFHHPVVFEDO-UHFFFAOYSA-N 1 1 333.453 2.996 20 10 EFCDMO CNC(=O)c1ccc(C[N@@H+](C)Cc2ccc(N(C)C)c(F)c2)cc1 ZINC000121154428 472807210 /nfs/dbraw/zinc/80/72/10/472807210.db2.gz LBMPIGCCZSXMAB-UHFFFAOYSA-N 1 1 329.419 2.883 20 10 EFCDMO Cc1[nH+]ccn1CCCN(C)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000121264706 472826408 /nfs/dbraw/zinc/82/64/08/472826408.db2.gz VEOWSHYYWNRIEQ-UHFFFAOYSA-N 1 1 347.438 2.628 20 10 EFCDMO CCCC[C@H](C(=O)OC)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000133718904 472834582 /nfs/dbraw/zinc/83/45/82/472834582.db2.gz ZFSSHTPGPOIJMT-GOSISDBHSA-N 1 1 334.460 2.687 20 10 EFCDMO CCCC[C@H](C(=O)OC)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000133718904 472834587 /nfs/dbraw/zinc/83/45/87/472834587.db2.gz ZFSSHTPGPOIJMT-GOSISDBHSA-N 1 1 334.460 2.687 20 10 EFCDMO CC(=O)c1cc(F)cc(C[N@@H+](CCC(N)=O)Cc2ccccc2)c1O ZINC000079396417 472858779 /nfs/dbraw/zinc/85/87/79/472858779.db2.gz YKWYGWZIKLWLNV-UHFFFAOYSA-N 1 1 344.386 2.612 20 10 EFCDMO Cc1ocnc1C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134267583 472891628 /nfs/dbraw/zinc/89/16/28/472891628.db2.gz UHRZKKOPYYOLSB-CQSZACIVSA-N 1 1 349.818 2.736 20 10 EFCDMO Cc1ocnc1C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134267583 472891635 /nfs/dbraw/zinc/89/16/35/472891635.db2.gz UHRZKKOPYYOLSB-CQSZACIVSA-N 1 1 349.818 2.736 20 10 EFCDMO CCOc1cccc(C[N@H+]2CCC[C@H](CNC(=O)C(C)C)C2)c1O ZINC000092706211 472967750 /nfs/dbraw/zinc/96/77/50/472967750.db2.gz FVOYDUHHZDRHIW-OAHLLOKOSA-N 1 1 334.460 2.775 20 10 EFCDMO CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2cc(OCC)ccc2O)C1 ZINC000092707940 472968852 /nfs/dbraw/zinc/96/88/52/472968852.db2.gz TUKMLPFHKGLJLP-HNNXBMFYSA-N 1 1 334.460 2.919 20 10 EFCDMO CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccc(OCC)c2O)C1 ZINC000092707674 472969100 /nfs/dbraw/zinc/96/91/00/472969100.db2.gz ANGJACLMADGVJR-HNNXBMFYSA-N 1 1 334.460 2.919 20 10 EFCDMO COCCc1noc(C[N@H+](C)Cc2c(O)ccc3ccccc32)n1 ZINC000122581926 473033811 /nfs/dbraw/zinc/03/38/11/473033811.db2.gz SSNLGPATNDCMKK-UHFFFAOYSA-N 1 1 327.384 2.749 20 10 EFCDMO COCCc1noc(C[N@@H+](C)Cc2c(O)ccc3ccccc32)n1 ZINC000122581926 473033816 /nfs/dbraw/zinc/03/38/16/473033816.db2.gz SSNLGPATNDCMKK-UHFFFAOYSA-N 1 1 327.384 2.749 20 10 EFCDMO CCCOc1ccc(C[N@H+](CC)[C@@H](C)CS(=O)(=O)CC)c(O)c1 ZINC000093414147 473104167 /nfs/dbraw/zinc/10/41/67/473104167.db2.gz CSOPLLPZGLYMCH-AWEZNQCLSA-N 1 1 343.489 2.826 20 10 EFCDMO CCCOc1ccc(C[N@@H+](CC)[C@@H](C)CS(=O)(=O)CC)c(O)c1 ZINC000093414147 473104173 /nfs/dbraw/zinc/10/41/73/473104173.db2.gz CSOPLLPZGLYMCH-AWEZNQCLSA-N 1 1 343.489 2.826 20 10 EFCDMO CCOc1ccc(O)c(C[N@@H+](C)[C@@H](CO)c2ccc(OC)cc2)c1 ZINC000093415747 473105944 /nfs/dbraw/zinc/10/59/44/473105944.db2.gz PRYGOWIBTYYEPK-SFHVURJKSA-N 1 1 331.412 2.965 20 10 EFCDMO COc1ccc(N2CCC[N@H+]([C@@H](C)C(=O)NC3CCCC3)CC2)cc1 ZINC000052466264 473109535 /nfs/dbraw/zinc/10/95/35/473109535.db2.gz JOCNTWAVYZJPDG-INIZCTEOSA-N 1 1 345.487 2.655 20 10 EFCDMO CCOC(=O)c1ccsc1NC(=O)C[N@H+](C)Cc1ccccc1O ZINC000109769259 473120659 /nfs/dbraw/zinc/12/06/59/473120659.db2.gz HNXJKSDHWKFVHJ-UHFFFAOYSA-N 1 1 348.424 2.701 20 10 EFCDMO CCOC(=O)c1ccsc1NC(=O)C[N@@H+](C)Cc1ccccc1O ZINC000109769259 473120665 /nfs/dbraw/zinc/12/06/65/473120665.db2.gz HNXJKSDHWKFVHJ-UHFFFAOYSA-N 1 1 348.424 2.701 20 10 EFCDMO Cc1cc(O)c(C[N@H+](C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)cc1C ZINC000093646752 473129978 /nfs/dbraw/zinc/12/99/78/473129978.db2.gz GUKKPNVNQIMLCV-WBVHZDCISA-N 1 1 325.474 2.797 20 10 EFCDMO Cc1cc(O)c(C[N@H+](C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)cc1C ZINC000093646753 473131157 /nfs/dbraw/zinc/13/11/57/473131157.db2.gz GUKKPNVNQIMLCV-RDJZCZTQSA-N 1 1 325.474 2.797 20 10 EFCDMO Cc1nsc(N2CCC[N@@H+](Cc3cc(Cl)ccc3O)CC2)n1 ZINC000093716853 473136727 /nfs/dbraw/zinc/13/67/27/473136727.db2.gz PLXGTOZSEGGJJI-UHFFFAOYSA-N 1 1 338.864 2.918 20 10 EFCDMO Cc1csc(=O)n1CC[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000123509948 473149174 /nfs/dbraw/zinc/14/91/74/473149174.db2.gz OWJBBSJNBIQWAN-MRXNPFEDSA-N 1 1 348.468 2.605 20 10 EFCDMO Cn1ncc2c1CCC[C@H]2[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000093863959 473152750 /nfs/dbraw/zinc/15/27/50/473152750.db2.gz VJCXSNOOJJIMBP-LJQANCHMSA-N 1 1 340.471 2.766 20 10 EFCDMO CCc1nsc(N2CCC[N@@H+](Cc3ccc(N(C)C)cc3)CC2)n1 ZINC000093871432 473157416 /nfs/dbraw/zinc/15/74/16/473157416.db2.gz KVDSWPCWHNEVNO-UHFFFAOYSA-N 1 1 345.516 2.879 20 10 EFCDMO C[C@H](C[NH2+][C@H](C)c1cc2c(cc1O)CCCC2)CN1CCN(C)CC1 ZINC000185344265 473399069 /nfs/dbraw/zinc/39/90/69/473399069.db2.gz DJXJXAFNGUUZPE-IAGOWNOFSA-N 1 1 345.531 2.805 20 10 EFCDMO CCC[N@H+]1CC[C@H](CNC(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000151180579 473421693 /nfs/dbraw/zinc/42/16/93/473421693.db2.gz SMVVDUGNGPVTPC-GOSISDBHSA-N 1 1 342.487 2.594 20 10 EFCDMO COc1cc(OC)cc([C@H](O)C[NH2+][C@@H](C)c2ccc(F)cc2O)c1 ZINC000185486934 473439879 /nfs/dbraw/zinc/43/98/79/473439879.db2.gz MCVMRQHRDZJWHB-BBATYDOGSA-N 1 1 335.375 2.933 20 10 EFCDMO C[C@H](CCN1CCN(C)CC1)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000185865052 473533245 /nfs/dbraw/zinc/53/32/45/473533245.db2.gz PXEHPHWGNZGBQK-LJQANCHMSA-N 1 1 344.547 2.793 20 10 EFCDMO CC[N@H+]1CCCC[C@H]1CNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000126929390 473560149 /nfs/dbraw/zinc/56/01/49/473560149.db2.gz RKIWLTLROJCYND-IBGZPJMESA-N 1 1 342.487 2.736 20 10 EFCDMO Nc1ccc(CCNC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000152571101 473577846 /nfs/dbraw/zinc/57/78/46/473577846.db2.gz FWTUWRUASHQQTO-IBGZPJMESA-N 1 1 337.467 2.840 20 10 EFCDMO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc(N(C)C)cc2)[C@H](C)C1 ZINC000115628914 473589008 /nfs/dbraw/zinc/58/90/08/473589008.db2.gz MBACJSZXEYGOCQ-YLJYHZDGSA-N 1 1 333.520 2.979 20 10 EFCDMO C[C@H]1C[C@@H](NC(=O)N(C)Cc2ccc(N(C)C)cc2)C[N@H+]1C1CC1 ZINC000127330294 473600378 /nfs/dbraw/zinc/60/03/78/473600378.db2.gz UAPZWUMYSWZKRW-GOEBONIOSA-N 1 1 330.476 2.519 20 10 EFCDMO C[C@H](c1ccncc1)[N@H+](C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000179138634 473636552 /nfs/dbraw/zinc/63/65/52/473636552.db2.gz YRYNLQJICPTHLV-MRXNPFEDSA-N 1 1 340.471 2.799 20 10 EFCDMO C[C@H](c1ccncc1)[N@@H+](C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000179138634 473636559 /nfs/dbraw/zinc/63/65/59/473636559.db2.gz YRYNLQJICPTHLV-MRXNPFEDSA-N 1 1 340.471 2.799 20 10 EFCDMO Oc1ccc(Br)cc1C[N@H+]1CCC[C@H](C2OCCO2)C1 ZINC000179365740 473680737 /nfs/dbraw/zinc/68/07/37/473680737.db2.gz YGLROLYRGSKXIF-NSHDSACASA-N 1 1 342.233 2.740 20 10 EFCDMO COc1cc(O)c(CN2CCC[N@H+](C3CCCC3)CC2)cc1OC ZINC000179444545 473688257 /nfs/dbraw/zinc/68/82/57/473688257.db2.gz NGPTVWZWKVSSPV-UHFFFAOYSA-N 1 1 334.460 2.860 20 10 EFCDMO C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000186592525 473695852 /nfs/dbraw/zinc/69/58/52/473695852.db2.gz BPLQPCRVHXULMJ-KGLIPLIRSA-N 1 1 325.884 2.722 20 10 EFCDMO C[C@@H](c1ccccc1)[N@@H+](CCNS(C)(=O)=O)Cc1ccccc1O ZINC000179645324 473702151 /nfs/dbraw/zinc/70/21/51/473702151.db2.gz WCTUQFRNGRUDGW-HNNXBMFYSA-N 1 1 348.468 2.505 20 10 EFCDMO Cc1cccc(C[NH+]2CCN(C(=O)c3ccc(F)cc3)CC2)c1O ZINC000179673679 473707016 /nfs/dbraw/zinc/70/70/16/473707016.db2.gz CUFBSQIVGOQGGB-UHFFFAOYSA-N 1 1 328.387 2.798 20 10 EFCDMO CCCOc1ccc(C[NH+]2CCN(Cc3cc(C)on3)CC2)c(O)c1 ZINC000179737309 473715788 /nfs/dbraw/zinc/71/57/88/473715788.db2.gz WFSFGXCGPGZBAK-UHFFFAOYSA-N 1 1 345.443 2.795 20 10 EFCDMO C[C@@H]([NH2+][C@H]1CCCN(C(=O)N2CCCC2)C1)c1ccc(F)cc1O ZINC000287623419 473716749 /nfs/dbraw/zinc/71/67/49/473716749.db2.gz TUFHLWLWJKZPMA-HIFRSBDPSA-N 1 1 335.423 2.862 20 10 EFCDMO Cc1nn(C)c(Cl)c1/C=C/C(=O)N1CC[NH2+]Cc2ccccc21 ZINC000269187133 473723678 /nfs/dbraw/zinc/72/36/78/473723678.db2.gz UFSJMKXYCWMCKM-BQYQJAHWSA-N 1 1 330.819 2.532 20 10 EFCDMO CCc1nc(CN2CC[NH+](Cc3cc(OC)ccc3O)CC2)cs1 ZINC000179857283 473743866 /nfs/dbraw/zinc/74/38/66/473743866.db2.gz LSIRCZBNFSOHGS-UHFFFAOYSA-N 1 1 347.484 2.738 20 10 EFCDMO Cc1cccc(CN2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)c1O ZINC000179909564 473753242 /nfs/dbraw/zinc/75/32/42/473753242.db2.gz VWWQWTHQDYXKNR-HDICACEKSA-N 1 1 331.504 2.691 20 10 EFCDMO Cc1cccc(CN2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)c1O ZINC000179909564 473753250 /nfs/dbraw/zinc/75/32/50/473753250.db2.gz VWWQWTHQDYXKNR-HDICACEKSA-N 1 1 331.504 2.691 20 10 EFCDMO O=C(c1ccsc1)N1CCC[N@H+](Cc2cc(F)ccc2O)CC1 ZINC000179948400 473761660 /nfs/dbraw/zinc/76/16/60/473761660.db2.gz QSVSISKZUWRCSM-UHFFFAOYSA-N 1 1 334.416 2.941 20 10 EFCDMO CC[N@@H+](Cc1ccc(OCc2ccccc2)cc1O)[C@H]1CCNC1=O ZINC000281648741 473793889 /nfs/dbraw/zinc/79/38/89/473793889.db2.gz BIDFHWCTGCOIBF-SFHVURJKSA-N 1 1 340.423 2.682 20 10 EFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1 ZINC000274448996 473827950 /nfs/dbraw/zinc/82/79/50/473827950.db2.gz YKPNCVUTFLAHOS-BHADISHBSA-N 1 1 331.412 2.787 20 10 EFCDMO CC[N@@H+]1CCc2nc(NC(=O)/C=C/c3ccc(O)c(O)c3)sc2C1 ZINC000180607983 473918547 /nfs/dbraw/zinc/91/85/47/473918547.db2.gz OVXFYUNSRAQYTN-GQCTYLIASA-N 1 1 345.424 2.584 20 10 EFCDMO CC[N@H+]1CCc2nc(NC(=O)/C=C/c3ccc(O)c(O)c3)sc2C1 ZINC000180607983 473918558 /nfs/dbraw/zinc/91/85/58/473918558.db2.gz OVXFYUNSRAQYTN-GQCTYLIASA-N 1 1 345.424 2.584 20 10 EFCDMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000180697711 473945580 /nfs/dbraw/zinc/94/55/80/473945580.db2.gz YBWMNCLNVWZWES-KGXGESDWSA-N 1 1 332.444 2.738 20 10 EFCDMO C[C@H](CNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)[N@@H+](C)C1CC1 ZINC000264281084 473959358 /nfs/dbraw/zinc/95/93/58/473959358.db2.gz JRXUHXZSVVWGKE-OAHLLOKOSA-N 1 1 344.503 2.909 20 10 EFCDMO Cn1c(-c2ccccc2)cnc1SCCC[NH+]1CCN(C)CC1 ZINC000181312795 474026341 /nfs/dbraw/zinc/02/63/41/474026341.db2.gz RBLDCQSYRVSMHY-UHFFFAOYSA-N 1 1 330.501 2.817 20 10 EFCDMO COc1ccc(N2CC[NH+](CCNC(=O)C3(C)CCCC3)CC2)cc1 ZINC000264538753 474030260 /nfs/dbraw/zinc/03/02/60/474030260.db2.gz PJOXRCQDLVXJNF-UHFFFAOYSA-N 1 1 345.487 2.514 20 10 EFCDMO C[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1cc(Cl)ccc1[O-] ZINC000282507622 474090974 /nfs/dbraw/zinc/09/09/74/474090974.db2.gz YOXMATNNFPABKY-ZDUSSCGKSA-N 1 1 325.884 2.722 20 10 EFCDMO C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cc(Cl)ccc1[O-] ZINC000282507622 474090981 /nfs/dbraw/zinc/09/09/81/474090981.db2.gz YOXMATNNFPABKY-ZDUSSCGKSA-N 1 1 325.884 2.722 20 10 EFCDMO CCn1cnnc1C[NH2+][C@H](C)c1cc(Br)cc(C)c1O ZINC000275324649 474144895 /nfs/dbraw/zinc/14/48/95/474144895.db2.gz LSYVNFGAXPBDBF-SNVBAGLBSA-N 1 1 339.237 2.925 20 10 EFCDMO COCCO[C@@H]1CC[N@@H+](Cc2cc(Br)cc(C)c2O)C1 ZINC000188824603 474208528 /nfs/dbraw/zinc/20/85/28/474208528.db2.gz CWJZUMLUTHXVOU-CQSZACIVSA-N 1 1 344.249 2.700 20 10 EFCDMO Oc1ccc(Br)cc1CN[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000227437681 474245732 /nfs/dbraw/zinc/24/57/32/474245732.db2.gz WXMSVDHVYPTOFA-KGLIPLIRSA-N 1 1 325.250 2.871 20 10 EFCDMO Oc1ccc(Br)cc1CN[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000227437681 474245740 /nfs/dbraw/zinc/24/57/40/474245740.db2.gz WXMSVDHVYPTOFA-KGLIPLIRSA-N 1 1 325.250 2.871 20 10 EFCDMO CCNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1cccc(OCC)c1O ZINC000289400606 474255826 /nfs/dbraw/zinc/25/58/26/474255826.db2.gz OPCXHLQCYRBUAT-HNNXBMFYSA-N 1 1 336.432 2.892 20 10 EFCDMO COc1c(O)c(C[NH2+]C[C@@H](O)c2cc(C)cc(C)c2)ccc1[N+](=O)[O-] ZINC000282971357 474258970 /nfs/dbraw/zinc/25/89/70/474258970.db2.gz IOVRLULKHKBZFT-MRXNPFEDSA-N 1 1 346.383 2.749 20 10 EFCDMO COc1c(O)c(C[NH2+]C[C@H](O)c2cc(C)cc(C)c2)ccc1[N+](=O)[O-] ZINC000282971353 474259180 /nfs/dbraw/zinc/25/91/80/474259180.db2.gz IOVRLULKHKBZFT-INIZCTEOSA-N 1 1 346.383 2.749 20 10 EFCDMO Oc1cc2c(cc1C[N@@H+]1CCO[C@@H](Cc3ccccc3)C1)OCO2 ZINC000182955239 474295750 /nfs/dbraw/zinc/29/57/50/474295750.db2.gz YENKRKQSYGPFRT-INIZCTEOSA-N 1 1 327.380 2.564 20 10 EFCDMO Oc1cc2c(cc1C[N@H+]1CCO[C@@H](Cc3ccccc3)C1)OCO2 ZINC000182955239 474295754 /nfs/dbraw/zinc/29/57/54/474295754.db2.gz YENKRKQSYGPFRT-INIZCTEOSA-N 1 1 327.380 2.564 20 10 EFCDMO CN1CC[NH+](CC2CC[NH+](Cc3c([O-])cccc3Cl)CC2)CC1 ZINC000289535676 474312550 /nfs/dbraw/zinc/31/25/50/474312550.db2.gz WIPUHYLAEVUKHD-UHFFFAOYSA-N 1 1 337.895 2.505 20 10 EFCDMO COC[C@H]1C[N@H+](Cc2ccc(OCc3ccccc3)cc2O)CCO1 ZINC000183085425 474324309 /nfs/dbraw/zinc/32/43/09/474324309.db2.gz CODZXHHCWPWMIC-LJQANCHMSA-N 1 1 343.423 2.818 20 10 EFCDMO COC[C@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)CCO1 ZINC000183085425 474324313 /nfs/dbraw/zinc/32/43/13/474324313.db2.gz CODZXHHCWPWMIC-LJQANCHMSA-N 1 1 343.423 2.818 20 10 EFCDMO C[C@H]1C[C@@H](N2CCOCC2)C[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000289591410 474336382 /nfs/dbraw/zinc/33/63/82/474336382.db2.gz KLSSOHRVOAKAAG-GHTZIAJQSA-N 1 1 343.515 2.972 20 10 EFCDMO CN(C)c1ncc(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)s1 ZINC000271045408 474381834 /nfs/dbraw/zinc/38/18/34/474381834.db2.gz QWMDXNCKQYPDJC-UHFFFAOYSA-N 1 1 346.500 2.678 20 10 EFCDMO CCc1nc(NCc2ccc(N3CCOCC3)c(F)c2)cc(C)[nH+]1 ZINC000283435400 474402107 /nfs/dbraw/zinc/40/21/07/474402107.db2.gz CPHQXKQCZCGERY-UHFFFAOYSA-N 1 1 330.407 2.935 20 10 EFCDMO CCOc1cccc(C[N@H+]2CC[C@](C(=O)OC)(C(F)(F)F)C2)c1O ZINC000289774847 474421357 /nfs/dbraw/zinc/42/13/57/474421357.db2.gz RLMGHKZQJIRYAW-HNNXBMFYSA-N 1 1 347.333 2.718 20 10 EFCDMO COc1c(C)cnc(C[N@@H+](C)Cc2cc3c(cc2O)OCO3)c1C ZINC000183785407 474428992 /nfs/dbraw/zinc/42/89/92/474428992.db2.gz GEQUEANAZBDZKG-UHFFFAOYSA-N 1 1 330.384 2.773 20 10 EFCDMO COc1c(C)c[nH+]c(CN(C)Cc2cc3c(cc2O)OCO3)c1C ZINC000183785407 474429002 /nfs/dbraw/zinc/42/90/02/474429002.db2.gz GEQUEANAZBDZKG-UHFFFAOYSA-N 1 1 330.384 2.773 20 10 EFCDMO C[C@@H](O)c1ncc(C[NH2+]Cc2cccc(Br)c2O)s1 ZINC000289809460 474436165 /nfs/dbraw/zinc/43/61/65/474436165.db2.gz SRGWTEIRNGZSRT-MRVPVSSYSA-N 1 1 343.246 2.954 20 10 EFCDMO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H](C3(C)OCCO3)C2)c1O ZINC000183892258 474443335 /nfs/dbraw/zinc/44/33/35/474443335.db2.gz MRARCIJGHKGDPX-AWEZNQCLSA-N 1 1 337.391 2.709 20 10 EFCDMO O=C(NCc1c(O)ccc2c1CCCC2)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000266687057 474447246 /nfs/dbraw/zinc/44/72/46/474447246.db2.gz DTDNWVWSYTWZIC-ZWKOTPCHSA-N 1 1 343.471 2.697 20 10 EFCDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)Cc2ccc(N)cc2)C1 ZINC000237682788 474457387 /nfs/dbraw/zinc/45/73/87/474457387.db2.gz LPQMPFJBEPGHCB-AEFFLSMTSA-N 1 1 329.488 2.924 20 10 EFCDMO C[C@H]([NH2+][C@@H](C)c1cc(Br)ccc1O)c1ncnn1C ZINC000276472263 474556103 /nfs/dbraw/zinc/55/61/03/474556103.db2.gz BLNBEWYXDIYDSN-IUCAKERBSA-N 1 1 325.210 2.695 20 10 EFCDMO CC[N@H+]1CCCC[C@H]1C(=O)NCc1cccc(Br)c1O ZINC000277585629 474589891 /nfs/dbraw/zinc/58/98/91/474589891.db2.gz RWNHJJBOYNPDQJ-ZDUSSCGKSA-N 1 1 341.249 2.645 20 10 EFCDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@H](Cc3nccn3C)C2)c1 ZINC000184730785 474596624 /nfs/dbraw/zinc/59/66/24/474596624.db2.gz KOAIGJIPJFBSRR-OAHLLOKOSA-N 1 1 329.444 2.979 20 10 EFCDMO COc1c(O)c(C[N@H+](C)[C@H](CCO)c2ccccc2)ccc1[N+](=O)[O-] ZINC000278210011 474603263 /nfs/dbraw/zinc/60/32/63/474603263.db2.gz KFLKESJZZGOJBU-OAHLLOKOSA-N 1 1 346.383 2.865 20 10 EFCDMO COc1c(O)c(C[N@@H+](C)[C@H](CCO)c2ccccc2)ccc1[N+](=O)[O-] ZINC000278210011 474603268 /nfs/dbraw/zinc/60/32/68/474603268.db2.gz KFLKESJZZGOJBU-OAHLLOKOSA-N 1 1 346.383 2.865 20 10 EFCDMO COc1c(O)c(C[N@H+](C)C2Cc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000278207422 474603526 /nfs/dbraw/zinc/60/35/26/474603526.db2.gz JTGMGRUMIOHTRW-UHFFFAOYSA-N 1 1 328.368 2.908 20 10 EFCDMO COc1c(O)c(C[N@@H+](C)C2Cc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000278207422 474603532 /nfs/dbraw/zinc/60/35/32/474603532.db2.gz JTGMGRUMIOHTRW-UHFFFAOYSA-N 1 1 328.368 2.908 20 10 EFCDMO C[C@@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)c1cc(Cl)c(Cl)cc1O ZINC000278271333 474605495 /nfs/dbraw/zinc/60/54/95/474605495.db2.gz PCLPQQGXCJNMNL-RKDXNWHRSA-N 1 1 338.256 2.784 20 10 EFCDMO COC(=O)c1ccc2c(c1)C[N@H+](Cc1cccc(OC)c1O)CC2 ZINC000272329811 474607905 /nfs/dbraw/zinc/60/79/05/474607905.db2.gz DQUWPGNAQCRXQS-UHFFFAOYSA-N 1 1 327.380 2.746 20 10 EFCDMO Cc1cc(C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)c(C)n1-c1ccccn1 ZINC000272481254 474612627 /nfs/dbraw/zinc/61/26/27/474612627.db2.gz MCWFSSSIKCBSJX-WMZOPIPTSA-N 1 1 338.455 2.655 20 10 EFCDMO C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(N2CCCCC2)cc1 ZINC000272635772 474621361 /nfs/dbraw/zinc/62/13/61/474621361.db2.gz LAKQMTPUZSMHHR-UHFFFAOYSA-N 1 1 344.547 2.746 20 10 EFCDMO CN1CCN(CCC[N@H+](C)Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000272635772 474621368 /nfs/dbraw/zinc/62/13/68/474621368.db2.gz LAKQMTPUZSMHHR-UHFFFAOYSA-N 1 1 344.547 2.746 20 10 EFCDMO CN1CCN(CCC[N@@H+](C)Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000272635772 474621375 /nfs/dbraw/zinc/62/13/75/474621375.db2.gz LAKQMTPUZSMHHR-UHFFFAOYSA-N 1 1 344.547 2.746 20 10 EFCDMO COc1c(O)c(C[NH2+][C@@H](CCCO)c2ccccc2)ccc1[N+](=O)[O-] ZINC000278478735 474655728 /nfs/dbraw/zinc/65/57/28/474655728.db2.gz JAJIAPOVBJQMBS-HNNXBMFYSA-N 1 1 346.383 2.912 20 10 EFCDMO COCCSCCC[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000278496476 474661363 /nfs/dbraw/zinc/66/13/63/474661363.db2.gz KLIVKHARYQMSDK-UHFFFAOYSA-N 1 1 338.517 2.725 20 10 EFCDMO CC(C)[N@H+](CCS(=O)(=O)C(C)C)Cc1ccc(N(C)C)cc1 ZINC000267409182 474667462 /nfs/dbraw/zinc/66/74/62/474667462.db2.gz KFAAQKZQSBNYLY-UHFFFAOYSA-N 1 1 326.506 2.786 20 10 EFCDMO CC(C)[N@@H+](CCS(=O)(=O)C(C)C)Cc1ccc(N(C)C)cc1 ZINC000267409182 474667471 /nfs/dbraw/zinc/66/74/71/474667471.db2.gz KFAAQKZQSBNYLY-UHFFFAOYSA-N 1 1 326.506 2.786 20 10 EFCDMO COc1c(O)c(C[NH2+][C@@H](C)C[C@@H](O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000278524523 474680953 /nfs/dbraw/zinc/68/09/53/474680953.db2.gz SWDZXDODAVAPNF-BLLLJJGKSA-N 1 1 346.383 2.911 20 10 EFCDMO COc1c(O)c(C[NH2+][C@@H](C)C[C@H](O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000278524526 474681017 /nfs/dbraw/zinc/68/10/17/474681017.db2.gz SWDZXDODAVAPNF-LRDDRELGSA-N 1 1 346.383 2.911 20 10 EFCDMO COc1c(O)c(C[NH2+]C[C@@H](C)c2c(C)noc2C)ccc1[N+](=O)[O-] ZINC000278550269 474696492 /nfs/dbraw/zinc/69/64/92/474696492.db2.gz YXSREIJMVNLCCG-SECBINFHSA-N 1 1 335.360 2.807 20 10 EFCDMO COc1c(O)c(C[NH2+][C@H](C)CN2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000278609183 474734797 /nfs/dbraw/zinc/73/47/97/474734797.db2.gz DQPSKZXENGQIIZ-CHWSQXEVSA-N 1 1 337.420 2.519 20 10 EFCDMO C[C@@H]([NH2+]C[C@@H]1CN(C)CCN1C)c1cc(Cl)c(Cl)cc1O ZINC000278644126 474752033 /nfs/dbraw/zinc/75/20/33/474752033.db2.gz HSRSZGGSFNISMY-GHMZBOCLSA-N 1 1 332.275 2.595 20 10 EFCDMO C[C@@H]1C[C@H](NC(=O)NCc2ccccc2O)C[N@H+]1Cc1ccccc1 ZINC000268119848 474809096 /nfs/dbraw/zinc/80/90/96/474809096.db2.gz MCAGSICWWIKHRW-QAPCUYQASA-N 1 1 339.439 2.854 20 10 EFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCCn2nc(C)cc2C)c1 ZINC000273303011 474834030 /nfs/dbraw/zinc/83/40/30/474834030.db2.gz BYYNQUZQKSMBNU-AWEZNQCLSA-N 1 1 331.416 2.733 20 10 EFCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)c2ccc(C)cc2)c1 ZINC000273362697 474860678 /nfs/dbraw/zinc/86/06/78/474860678.db2.gz DHNIMEHDFQYWOC-ACJLOTCBSA-N 1 1 329.396 2.871 20 10 EFCDMO C[C@@H]([NH2+]Cc1ccc(NS(C)(=O)=O)cc1)c1ccc(F)cc1O ZINC000273378231 474869027 /nfs/dbraw/zinc/86/90/27/474869027.db2.gz HQSOMMQSUHQMDQ-LLVKDONJSA-N 1 1 338.404 2.754 20 10 EFCDMO CCNC(=O)COc1cccc(C[NH2+][C@H](C)c2ccc(F)cc2O)c1 ZINC000273382811 474872468 /nfs/dbraw/zinc/87/24/68/474872468.db2.gz IRSKQMUEJJXAOV-CYBMUJFWSA-N 1 1 346.402 2.897 20 10 EFCDMO COc1cc(C[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)ccc1C ZINC000278857234 474877402 /nfs/dbraw/zinc/87/74/02/474877402.db2.gz LPIFAFVXFKZWRN-UHFFFAOYSA-N 1 1 332.356 2.916 20 10 EFCDMO Cc1c(/C=C\C(=O)N2C[C@H]3CCC[N@H+]3Cc3ccccc32)cnn1C ZINC000255617151 474880591 /nfs/dbraw/zinc/88/05/91/474880591.db2.gz OPBFTHVKEHZARP-HJCTWCACSA-N 1 1 336.439 2.753 20 10 EFCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(NC(C)=O)cc2)c1 ZINC000273417131 474888367 /nfs/dbraw/zinc/88/83/67/474888367.db2.gz RCCHFSXUCGIAAO-GFCCVEGCSA-N 1 1 342.395 2.988 20 10 EFCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)c2ccc(F)cc2)c1 ZINC000273420998 474890822 /nfs/dbraw/zinc/89/08/22/474890822.db2.gz SBAKYVIVOCQBAX-PIGZYNQJSA-N 1 1 333.359 2.702 20 10 EFCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)CCc2ccccc2)c1 ZINC000273427805 474892488 /nfs/dbraw/zinc/89/24/88/474892488.db2.gz KMDOVKXJKIOATL-PBHICJAKSA-N 1 1 343.423 2.823 20 10 EFCDMO COc1c(O)c(C[NH2+]Cc2ccc(N(C)C)cc2)ccc1[N+](=O)[O-] ZINC000278887989 474895530 /nfs/dbraw/zinc/89/55/30/474895530.db2.gz PDYYQFVVKQBUSR-UHFFFAOYSA-N 1 1 331.372 2.665 20 10 EFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2cccc(NC(C)=O)c2)c1 ZINC000273443901 474899933 /nfs/dbraw/zinc/89/99/33/474899933.db2.gz ZIGUPJHYWARQLX-LBPRGKRZSA-N 1 1 342.395 2.988 20 10 EFCDMO COc1c(O)c(C[NH2+]C[C@@H](OC)c2ccccc2)ccc1[N+](=O)[O-] ZINC000278911053 474910893 /nfs/dbraw/zinc/91/08/93/474910893.db2.gz SMHXZULRMCUZRD-OAHLLOKOSA-N 1 1 332.356 2.786 20 10 EFCDMO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC=C(c3ccco3)C2)cc1 ZINC000285197609 474926234 /nfs/dbraw/zinc/92/62/34/474926234.db2.gz CVHMTAKTMYPHDP-UHFFFAOYSA-N 1 1 339.439 2.751 20 10 EFCDMO CN(C)c1ccc(CNC(=O)C[N@H+]2CCC=C(c3ccco3)C2)cc1 ZINC000285197609 474926238 /nfs/dbraw/zinc/92/62/38/474926238.db2.gz CVHMTAKTMYPHDP-UHFFFAOYSA-N 1 1 339.439 2.751 20 10 EFCDMO COc1c(O)c(C[NH2+]C[C@H](C)N2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000278936861 474926977 /nfs/dbraw/zinc/92/69/77/474926977.db2.gz XBMABBWZLRUBFL-ZDUSSCGKSA-N 1 1 337.420 2.519 20 10 EFCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@@H](CO)Cc2ccc(F)cc2)c1 ZINC000273500901 474932896 /nfs/dbraw/zinc/93/28/96/474932896.db2.gz QAWVTXHORCUFMC-MLGOLLRUSA-N 1 1 347.386 2.572 20 10 EFCDMO CC(C)S(=O)(=O)CCC[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000268369193 474944703 /nfs/dbraw/zinc/94/47/03/474944703.db2.gz VYKPYBZQJWCQFL-UHFFFAOYSA-N 1 1 338.517 2.930 20 10 EFCDMO CC(C)S(=O)(=O)CCC[N@@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000268369193 474944709 /nfs/dbraw/zinc/94/47/09/474944709.db2.gz VYKPYBZQJWCQFL-UHFFFAOYSA-N 1 1 338.517 2.930 20 10 EFCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CC(=O)N(C)C2CCCCC2)c1 ZINC000273551162 474958330 /nfs/dbraw/zinc/95/83/30/474958330.db2.gz FZDYKJGAVXNANJ-CYBMUJFWSA-N 1 1 348.443 2.621 20 10 EFCDMO CCN1CCN(C[C@H](C)C[NH2+][C@@H](C)c2ccc(C)c(C)c2O)CC1 ZINC000273563860 474965173 /nfs/dbraw/zinc/96/51/73/474965173.db2.gz IXVIIHVLBBVLGH-QAPCUYQASA-N 1 1 333.520 2.933 20 10 EFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@H](CCO)c2ccccc2)c1 ZINC000273566829 474967742 /nfs/dbraw/zinc/96/77/42/474967742.db2.gz JSYMHXAOQLOTDQ-WMLDXEAASA-N 1 1 343.423 2.996 20 10 EFCDMO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCCCn2cc[nH+]c2C)c1 ZINC000273584549 474975131 /nfs/dbraw/zinc/97/51/31/474975131.db2.gz NNBPZQNWSKANKE-ZDUSSCGKSA-N 1 1 331.416 2.815 20 10 EFCDMO CSC[C@@H]1CCC[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000292362023 474984145 /nfs/dbraw/zinc/98/41/45/474984145.db2.gz IHHYPSDQMKGLDV-QGZVFWFLSA-N 1 1 349.544 2.786 20 10 EFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2cn3ccc(C)cc3n2)c1 ZINC000273618351 474993492 /nfs/dbraw/zinc/99/34/92/474993492.db2.gz YGAKMIBBVJQMDY-ZDUSSCGKSA-N 1 1 339.395 2.986 20 10 EFCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@@H](C)COCC(F)(F)F)c1 ZINC000273619894 474994295 /nfs/dbraw/zinc/99/42/95/474994295.db2.gz YRLNWURKGXKRNR-VHSXEESVSA-N 1 1 335.322 2.797 20 10 EFCDMO CNC(=O)CCC[N@@H+](C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000280197792 475014404 /nfs/dbraw/zinc/01/44/04/475014404.db2.gz IIGMUISMWAGENV-UHFFFAOYSA-N 1 1 331.382 2.729 20 10 EFCDMO CCCOc1ccc(C[N@H+]2C[C@@]3(CCOC3)OC(C)(C)C2)c(O)c1 ZINC000280363255 475022288 /nfs/dbraw/zinc/02/22/88/475022288.db2.gz UPZKHHWXZSAEBO-LJQANCHMSA-N 1 1 335.444 2.951 20 10 EFCDMO COc1cc(Cl)cc(C[N@H+]2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)c1O ZINC000280468031 475026957 /nfs/dbraw/zinc/02/69/57/475026957.db2.gz MWCOMKGABZNXCW-JKDFXYPNSA-N 1 1 341.835 2.823 20 10 EFCDMO COc1cc(O)c(C[N@H+]2CC3(CCOCC3)[C@@H]2C2CC2)cc1OC ZINC000293667563 475046806 /nfs/dbraw/zinc/04/68/06/475046806.db2.gz OLWPBVDQFXWKGE-SFHVURJKSA-N 1 1 333.428 2.800 20 10 EFCDMO C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000268887320 475051211 /nfs/dbraw/zinc/05/12/11/475051211.db2.gz ZCMWSWIDAOITMO-LLGFUMIMSA-N 1 1 345.531 2.714 20 10 EFCDMO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](CS(C)(=O)=O)C2)cc1 ZINC000293835641 475054306 /nfs/dbraw/zinc/05/43/06/475054306.db2.gz GVDLPIYUZHQQFR-KRWDZBQOSA-N 1 1 338.517 2.789 20 10 EFCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@H](CS(C)(=O)=O)C2)cc1 ZINC000293835641 475054318 /nfs/dbraw/zinc/05/43/18/475054318.db2.gz GVDLPIYUZHQQFR-KRWDZBQOSA-N 1 1 338.517 2.789 20 10 EFCDMO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)c1nncn1C ZINC000281033147 475064499 /nfs/dbraw/zinc/06/44/99/475064499.db2.gz YRRXASXBQKICDZ-JTQLQIEISA-N 1 1 327.354 2.751 20 10 EFCDMO CCCOc1ccc(C[N@@H+]2C[C@@H](OC)C[C@H]2CN2CCCC2)c(O)c1 ZINC000286416415 475064842 /nfs/dbraw/zinc/06/48/42/475064842.db2.gz OPFCZALYYHGRNL-HKUYNNGSSA-N 1 1 348.487 2.866 20 10 EFCDMO CCCOc1ccc(C[N@H+]2C[C@@H](OC)C[C@H]2CN2CCCC2)c(O)c1 ZINC000286416415 475064850 /nfs/dbraw/zinc/06/48/50/475064850.db2.gz OPFCZALYYHGRNL-HKUYNNGSSA-N 1 1 348.487 2.866 20 10 EFCDMO Cc1ccc(C(=O)N(C)CCC[N@@H+](C)Cc2ccco2)c(O)c1O ZINC000286468694 475065896 /nfs/dbraw/zinc/06/58/96/475065896.db2.gz INQJHUUFNYWLQC-UHFFFAOYSA-N 1 1 332.400 2.593 20 10 EFCDMO Cc1cc(C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)c(C)n1-c1ccccn1 ZINC000292531658 475073791 /nfs/dbraw/zinc/07/37/91/475073791.db2.gz KJBRDAUHRJHWBJ-FQEVSTJZSA-N 1 1 338.455 2.657 20 10 EFCDMO CN(Cc1cccs1)c1ccc(C[N@@H+](CCO)CCCO)cc1 ZINC000294685369 475079529 /nfs/dbraw/zinc/07/95/29/475079529.db2.gz DLPVCULVYLFYNX-UHFFFAOYSA-N 1 1 334.485 2.561 20 10 EFCDMO CCOc1cccc(C[N@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)c1O ZINC000294771345 475081337 /nfs/dbraw/zinc/08/13/37/475081337.db2.gz KFHQKKRPWSHJFE-CQSZACIVSA-N 1 1 334.460 2.905 20 10 EFCDMO COC[C@]1(C(=O)OC)CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000295044504 475100181 /nfs/dbraw/zinc/10/01/81/475100181.db2.gz MWDURCIHIWWIAF-FQEVSTJZSA-N 1 1 346.471 2.688 20 10 EFCDMO CCn1ccnc1[C@H](C)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000295246771 475115726 /nfs/dbraw/zinc/11/57/26/475115726.db2.gz PUSQTOHUAHDLEJ-AWEZNQCLSA-N 1 1 332.423 2.730 20 10 EFCDMO CCN1CCN(c2ccc(C[NH2+][C@@H]3C[C@@H](C)O[C@@H]3C)cc2F)CC1 ZINC000295270902 475117834 /nfs/dbraw/zinc/11/78/34/475117834.db2.gz VPRUCSUTAPJSDU-IIDMSEBBSA-N 1 1 335.467 2.623 20 10 EFCDMO COCCc1cc[nH+]c(N[C@H](C)c2cc(C(=O)OC)ccc2O)c1 ZINC000287507355 475177862 /nfs/dbraw/zinc/17/78/62/475177862.db2.gz NZINSHJTHGWNLG-GFCCVEGCSA-N 1 1 330.384 2.936 20 10 EFCDMO COc1c([O-])c(C[N@H+]2CCC[C@H](CSC)C2)ccc1[N+](=O)[O-] ZINC000292773352 475191664 /nfs/dbraw/zinc/19/16/64/475191664.db2.gz KRCMOHDTHVKYSJ-NSHDSACASA-N 1 1 326.418 2.884 20 10 EFCDMO COc1c(O)c(C[N@@H+]2CCC[C@H](CSC)C2)ccc1[N+](=O)[O-] ZINC000292773352 475191667 /nfs/dbraw/zinc/19/16/67/475191667.db2.gz KRCMOHDTHVKYSJ-NSHDSACASA-N 1 1 326.418 2.884 20 10 EFCDMO COc1c(O)c(C[N@H+]2CCC[C@H](CSC)C2)ccc1[N+](=O)[O-] ZINC000292773352 475191673 /nfs/dbraw/zinc/19/16/73/475191673.db2.gz KRCMOHDTHVKYSJ-NSHDSACASA-N 1 1 326.418 2.884 20 10 EFCDMO CS(=O)(=O)C[C@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000292814402 475206888 /nfs/dbraw/zinc/20/68/88/475206888.db2.gz PEZVWJQCDCFZAS-KRWDZBQOSA-N 1 1 336.501 2.543 20 10 EFCDMO CS(=O)(=O)C[C@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000292814402 475206892 /nfs/dbraw/zinc/20/68/92/475206892.db2.gz PEZVWJQCDCFZAS-KRWDZBQOSA-N 1 1 336.501 2.543 20 10 EFCDMO COC1CCN(c2ccc(C[N@H+]3CCOC[C@@H]3C3CC3)cc2)CC1 ZINC000296240930 475235811 /nfs/dbraw/zinc/23/58/11/475235811.db2.gz IEFVSTWRTQCBQV-HXUWFJFHSA-N 1 1 330.472 2.913 20 10 EFCDMO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H](N3CCCCC3=O)C2)c1O ZINC000361366003 475389184 /nfs/dbraw/zinc/38/91/84/475389184.db2.gz RFKSMJHMGVXZDK-MRXNPFEDSA-N 1 1 348.418 2.711 20 10 EFCDMO CCOc1ccc(O)c(C[N@H+]2CC[C@]3(C2)C(=O)Nc2ccccc23)c1 ZINC000368785009 476371298 /nfs/dbraw/zinc/37/12/98/476371298.db2.gz SRRSFRUUYXUGRE-HXUWFJFHSA-N 1 1 338.407 2.887 20 10 EFCDMO Cc1cc(Br)cc(C[N@H+]2CC[C@@](O)(C3CC3)C2)c1O ZINC000373325153 476392943 /nfs/dbraw/zinc/39/29/43/476392943.db2.gz SDPDIUMSIIIXKT-HNNXBMFYSA-N 1 1 326.234 2.810 20 10 EFCDMO COc1c(O)c(C[N@@H+](C)[C@H]2CCCc3c2cnn3C)ccc1[N+](=O)[O-] ZINC000369326488 476409292 /nfs/dbraw/zinc/40/92/92/476409292.db2.gz ICZGPYLOZQGNLH-ZDUSSCGKSA-N 1 1 346.387 2.552 20 10 EFCDMO Cc1cc(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(C)n1-c1ccccn1 ZINC000373929781 476442050 /nfs/dbraw/zinc/44/20/50/476442050.db2.gz RYAWIQXISFLZJB-IAGOWNOFSA-N 1 1 338.455 2.846 20 10 EFCDMO CCOc1cccc(C[N@H+]2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)c1O ZINC000374256523 476464272 /nfs/dbraw/zinc/46/42/72/476464272.db2.gz NYKOLJFNJFATON-SJORKVTESA-N 1 1 345.443 2.613 20 10 EFCDMO CN1[C@@H]2CC[C@H]1CC([N@H+](C)Cc1ccc(N3CCOCC3)cc1)C2 ZINC000377619552 476478041 /nfs/dbraw/zinc/47/80/41/476478041.db2.gz DCSAXZIPKOZOJK-YOFSQIOKSA-N 1 1 329.488 2.580 20 10 EFCDMO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)Cc1ccc(N3CCOCC3)cc1)C2 ZINC000377619552 476478047 /nfs/dbraw/zinc/47/80/47/476478047.db2.gz DCSAXZIPKOZOJK-YOFSQIOKSA-N 1 1 329.488 2.580 20 10 EFCDMO CN(Cc1ccc(N2CCOCC2)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000377619552 476478051 /nfs/dbraw/zinc/47/80/51/476478051.db2.gz DCSAXZIPKOZOJK-YOFSQIOKSA-N 1 1 329.488 2.580 20 10 EFCDMO CN(Cc1ccc(N2CCOCC2)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000377619552 476478054 /nfs/dbraw/zinc/47/80/54/476478054.db2.gz DCSAXZIPKOZOJK-YOFSQIOKSA-N 1 1 329.488 2.580 20 10 EFCDMO CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000377622809 476481275 /nfs/dbraw/zinc/48/12/75/476481275.db2.gz IIQTYMYIYCWHCP-SJORKVTESA-N 1 1 331.460 2.941 20 10 EFCDMO COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000377681897 476517826 /nfs/dbraw/zinc/51/78/26/476517826.db2.gz XJKJBTUHMLLXMC-CYBMUJFWSA-N 1 1 337.725 2.973 20 10 EFCDMO Cc1ccc(O)c(C[N@H+]2CCCC[C@H]2COC(=O)N[C@H]2CCOC2)c1 ZINC000377689508 476522947 /nfs/dbraw/zinc/52/29/47/476522947.db2.gz CCVKEXHEDKNFCL-IRXDYDNUSA-N 1 1 348.443 2.570 20 10 EFCDMO CC(=O)c1cc(F)cc(C[NH+]2CCC(C)(c3nc(C)no3)CC2)c1O ZINC000378576453 476721288 /nfs/dbraw/zinc/72/12/88/476721288.db2.gz BZRDWZHNMRDSKQ-UHFFFAOYSA-N 1 1 347.390 2.979 20 10 EFCDMO COc1c(O)c(C[NH2+]C[C@]2(C)CCO[C@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000375734903 476977152 /nfs/dbraw/zinc/97/71/52/476977152.db2.gz YBCHYZPXDUSCQH-IRXDYDNUSA-N 1 1 336.388 2.604 20 10 EFCDMO CN(C)c1ccc(C[NH+]2CCC(CCN3CCOCC3)CC2)cc1 ZINC000371417858 477305943 /nfs/dbraw/zinc/30/59/43/477305943.db2.gz YOIOYSQSWXPYBB-UHFFFAOYSA-N 1 1 331.504 2.687 20 10 EFCDMO Cc1c2ccccc2n(C)c1CNC(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000454874437 477413116 /nfs/dbraw/zinc/41/31/16/477413116.db2.gz MHXFOOISFZSGNO-OKILXGFUSA-N 1 1 328.460 2.721 20 10 EFCDMO Cc1c2ccccc2n(C)c1CNC(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000420835525 477788148 /nfs/dbraw/zinc/78/81/48/477788148.db2.gz IROPQSWPZFKEAI-OAHLLOKOSA-N 1 1 328.460 2.722 20 10 EFCDMO Cc1c2ccccc2n(C)c1CNC(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000420835524 477788569 /nfs/dbraw/zinc/78/85/69/477788569.db2.gz IROPQSWPZFKEAI-HNNXBMFYSA-N 1 1 328.460 2.722 20 10 EFCDMO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H](c3ccnn3C)C2)c1O ZINC000372679342 477809055 /nfs/dbraw/zinc/80/90/55/477809055.db2.gz BSQMKDRSRSBPNN-CYBMUJFWSA-N 1 1 331.391 2.847 20 10 EFCDMO Cc1c2ccccc2n(C)c1CNC(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000471823437 478010501 /nfs/dbraw/zinc/01/05/01/478010501.db2.gz DUWQIOJVLOYSRS-CYBMUJFWSA-N 1 1 328.460 2.769 20 10 EFCDMO Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000471972037 478012444 /nfs/dbraw/zinc/01/24/44/478012444.db2.gz DNYNESHATNYWJF-UKRRQHHQSA-N 1 1 328.460 2.769 20 10 EFCDMO CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000564730540 478797868 /nfs/dbraw/zinc/79/78/68/478797868.db2.gz OPEYUWAKOBAYTH-LJQANCHMSA-N 1 1 339.439 2.781 20 10 EFCDMO COC(=O)c1coc(C[N@H+]2CCCN(c3ccc(OC)cc3)CC2)c1 ZINC000171033537 534314814 /nfs/dbraw/zinc/31/48/14/534314814.db2.gz JDELCUNEXFGKLZ-UHFFFAOYSA-N 1 1 344.411 2.787 20 10 EFCDMO Oc1ccccc1C[N@H+](Cc1cnc2cnccn12)C[C@@H]1CCCO1 ZINC000160175906 534457167 /nfs/dbraw/zinc/45/71/67/534457167.db2.gz VFPHOVWOOPJABT-KRWDZBQOSA-N 1 1 338.411 2.616 20 10 EFCDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc(C)n(-c3ccccn3)c2C)C1 ZINC000174467845 527813869 /nfs/dbraw/zinc/81/38/69/527813869.db2.gz DTHRARDTSWQJGB-KRWDZBQOSA-N 1 1 340.471 2.903 20 10 EFCDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000075538632 527833789 /nfs/dbraw/zinc/83/37/89/527833789.db2.gz YJGLIBWHNGCHBW-KRWDZBQOSA-N 1 1 332.492 2.626 20 10 EFCDMO CCOC(=O)c1nn(C)cc1C[NH2+]Cc1ccc(N(CC)CC)cc1 ZINC000186312947 528377429 /nfs/dbraw/zinc/37/74/29/528377429.db2.gz QSHLSDKOUYVZOR-UHFFFAOYSA-N 1 1 344.459 2.733 20 10 EFCDMO CC[C@H]1C[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)CCS1 ZINC000174356372 529286236 /nfs/dbraw/zinc/28/62/36/529286236.db2.gz MZIKREVRNSBHKJ-KRWDZBQOSA-N 1 1 335.517 2.538 20 10 EFCDMO C[NH+](C)[C@@H](CNC(=O)Cc1ccc(N)cc1)c1ccccc1Cl ZINC000195133867 536127597 /nfs/dbraw/zinc/12/75/97/536127597.db2.gz YXEICBQMIOMTPY-KRWDZBQOSA-N 1 1 331.847 2.884 20 10 EFCDMO COc1ccc(N2CCC[N@@H+](Cc3ccc(CO)cc3)CC2)cc1 ZINC000305837061 536671843 /nfs/dbraw/zinc/67/18/43/536671843.db2.gz PYKNZDNYTYGLEV-UHFFFAOYSA-N 1 1 326.440 2.900 20 10 EFCDMO COc1c(O)c(C[N@@H+]2CCOCC3(CCCC3)C2)ccc1[N+](=O)[O-] ZINC000364455895 536861878 /nfs/dbraw/zinc/86/18/78/536861878.db2.gz PZPJWDDMNHQPHJ-UHFFFAOYSA-N 1 1 336.388 2.702 20 10 EFCDMO COc1c(O)c(C[N@H+]2CCOCC3(CCCC3)C2)ccc1[N+](=O)[O-] ZINC000364455895 536861883 /nfs/dbraw/zinc/86/18/83/536861883.db2.gz 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ZINC000756379910 575726992 /nfs/dbraw/zinc/72/69/92/575726992.db2.gz DCOHBNNASICRJJ-CQSZACIVSA-N 1 1 328.412 2.966 20 10 EFCDMO C[C@H]([NH2+][C@H]1CCCCNC1=O)c1cc(Br)c(F)cc1O ZINC000756396344 575730405 /nfs/dbraw/zinc/73/04/05/575730405.db2.gz MRTXQXYIURFDNO-UFBFGSQYSA-N 1 1 345.212 2.613 20 10 EFCDMO C[C@H]([NH2+][C@@H]1CCCCNC1=O)c1cc(Br)c(F)cc1O ZINC000756396342 575730431 /nfs/dbraw/zinc/73/04/31/575730431.db2.gz MRTXQXYIURFDNO-QPUJVOFHSA-N 1 1 345.212 2.613 20 10 EFCDMO CC(C)[C@H](C[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F)N1CCN(C)CC1 ZINC000756398127 575730794 /nfs/dbraw/zinc/73/07/94/575730794.db2.gz BTLJORIXIJSWDI-OIISXLGYSA-N 1 1 349.494 2.941 20 10 EFCDMO CNC(=O)COc1cccc(C[NH2+][C@H](C)c2ccc(F)cc2O)c1 ZINC000756435133 575738955 /nfs/dbraw/zinc/73/89/55/575738955.db2.gz WNDWJWZVWNKWRH-GFCCVEGCSA-N 1 1 332.375 2.507 20 10 EFCDMO C[C@H]([NH2+]CCS(=O)(=O)Cc1ccccc1)c1ccc(F)cc1O ZINC000756456715 575742154 /nfs/dbraw/zinc/74/21/54/575742154.db2.gz OFIUOVHKENOGQE-ZDUSSCGKSA-N 1 1 337.416 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1275053973 /nfs/dbraw/zinc/05/39/73/1275053973.db2.gz KUWNYGMTTCTJST-UONOGXRCSA-N 1 1 325.250 2.871 20 10 EFCDMO CC(C)[N@H+]1CC[C@@H](CNCc2c(O)cccc2Br)C1 ZINC000706871960 1275065003 /nfs/dbraw/zinc/06/50/03/1275065003.db2.gz TVUCETKPPIPLJS-LBPRGKRZSA-N 1 1 327.266 2.975 20 10 EFCDMO C[NH+](C)CC1CC[NH+](Cc2c([O-])cccc2Br)CC1 ZINC000707137531 1275337872 /nfs/dbraw/zinc/33/78/72/1275337872.db2.gz ZNVAOPVEWUTGPS-UHFFFAOYSA-N 1 1 327.266 2.928 20 10 EFCDMO COc1ccc(N(C)CC[N@@H+](C)Cc2ccc3c(c2)nnn3C)cc1 ZINC000844400630 1278950734 /nfs/dbraw/zinc/95/07/34/1278950734.db2.gz DXDOPVWKVUZNJZ-UHFFFAOYSA-N 1 1 339.443 2.545 20 10 EFCDMO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1c([O-])ccc2ccncc21 ZINC000746644218 1275683060 /nfs/dbraw/zinc/68/30/60/1275683060.db2.gz ASNXLNRPJWASJD-BPAFIMBUSA-N 1 1 341.455 2.624 20 10 EFCDMO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1c([O-])ccc2ccncc21 ZINC000746644218 1275683068 /nfs/dbraw/zinc/68/30/68/1275683068.db2.gz ASNXLNRPJWASJD-BPAFIMBUSA-N 1 1 341.455 2.624 20 10 EFCDMO COC(=O)[C@H]1CC[N@@H+](Cc2c(O)ccc3ccc(OC)cc32)[C@@H]1C ZINC000787239936 1275730986 /nfs/dbraw/zinc/73/09/86/1275730986.db2.gz PKLZTFCMPWSMQO-DOMZBBRYSA-N 1 1 329.396 2.937 20 10 EFCDMO COC(=O)[C@@H]1CC[N@H+](Cc2cccc(Br)c2O)[C@@H]1C ZINC000787420900 1275771489 /nfs/dbraw/zinc/77/14/89/1275771489.db2.gz MPTVFCDZAOZZJV-MWLCHTKSSA-N 1 1 328.206 2.538 20 10 EFCDMO COC(=O)[C@@H]1CC[N@@H+](Cc2cccc(Br)c2O)[C@@H]1C ZINC000787420900 1275771492 /nfs/dbraw/zinc/77/14/92/1275771492.db2.gz MPTVFCDZAOZZJV-MWLCHTKSSA-N 1 1 328.206 2.538 20 10 EFCDMO Cc1cc(C(=O)C[N@H+]2C[C@H](O)C[C@H]2C)c(C)n1-c1cccc(F)c1 ZINC000788275208 1276125588 /nfs/dbraw/zinc/12/55/88/1276125588.db2.gz KASRQMAEGWDEOF-SJKOYZFVSA-N 1 1 330.403 2.871 20 10 EFCDMO Cc1cc(C(=O)C[N@@H+]2C[C@H](O)C[C@H]2C)c(C)n1-c1cccc(F)c1 ZINC000788275208 1276125592 /nfs/dbraw/zinc/12/55/92/1276125592.db2.gz KASRQMAEGWDEOF-SJKOYZFVSA-N 1 1 330.403 2.871 20 10 EFCDMO Cc1cc(C(=O)C[N@H+]2C[C@H](O)C[C@@H]2C)c(C)n1-c1cccc(F)c1 ZINC000788275209 1276125604 /nfs/dbraw/zinc/12/56/04/1276125604.db2.gz KASRQMAEGWDEOF-YVEFUNNKSA-N 1 1 330.403 2.871 20 10 EFCDMO Cc1cc(C(=O)C[N@@H+]2C[C@H](O)C[C@@H]2C)c(C)n1-c1cccc(F)c1 ZINC000788275209 1276125608 /nfs/dbraw/zinc/12/56/08/1276125608.db2.gz KASRQMAEGWDEOF-YVEFUNNKSA-N 1 1 330.403 2.871 20 10 EFCDMO O=C(NCCc1ccc(O)c(O)c1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000788310033 1276141484 /nfs/dbraw/zinc/14/14/84/1276141484.db2.gz YLRXXLPBKTXBFI-INIZCTEOSA-N 1 1 332.444 2.554 20 10 EFCDMO C[C@H]([NH2+]C[C@@H](CO)[C@H]1CCOC1)c1cccc(C(F)(F)F)c1O ZINC000788800080 1276316699 /nfs/dbraw/zinc/31/66/99/1276316699.db2.gz FTBMQHCKLVAEGG-SRVKXCTJSA-N 1 1 333.350 2.707 20 10 EFCDMO C[C@H]([NH2+]CC1(S(C)(=O)=O)CC1)c1cccc(C(F)(F)F)c1O ZINC000788801812 1276317019 /nfs/dbraw/zinc/31/70/19/1276317019.db2.gz CPKZOAOKRXVATM-VIFPVBQESA-N 1 1 337.363 2.639 20 10 EFCDMO CCOC1CC(O)(C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2O)C1 ZINC000788775861 1276322729 /nfs/dbraw/zinc/32/27/29/1276322729.db2.gz MCYHAGWNRKBRCK-NLTNOIMHSA-N 1 1 333.350 2.992 20 10 EFCDMO COC(=O)c1cc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)n(C)c1C ZINC000788841732 1276349742 /nfs/dbraw/zinc/34/97/42/1276349742.db2.gz XKUKWIFGIRJQQE-UHFFFAOYSA-N 1 1 329.444 2.818 20 10 EFCDMO C[C@@H]1C[C@@H](C)[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@H]1C[NH3+] ZINC000817865648 1276351154 /nfs/dbraw/zinc/35/11/54/1276351154.db2.gz MJLBMFMXVVHJKV-CKYFFXLPSA-N 1 1 327.812 2.759 20 10 EFCDMO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCc1ccc(N2CCOCC2)cc1 ZINC000817895436 1276364232 /nfs/dbraw/zinc/36/42/32/1276364232.db2.gz UWUJPMMKSGCOJN-PKOBYXMFSA-N 1 1 331.504 2.924 20 10 EFCDMO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCc1ccc(N2CCOCC2)cc1 ZINC000817895429 1276364303 /nfs/dbraw/zinc/36/43/03/1276364303.db2.gz UWUJPMMKSGCOJN-HKUYNNGSSA-N 1 1 331.504 2.924 20 10 EFCDMO COc1ccc([C@@H](C)[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)cc1O ZINC000817940327 1276386381 /nfs/dbraw/zinc/38/63/81/1276386381.db2.gz GBBQOKSYEXIJOD-DYVFJYSZSA-N 1 1 329.444 2.817 20 10 EFCDMO C[C@H](NC[C@]1(C)CCC[NH2+]C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000817964403 1276403340 /nfs/dbraw/zinc/40/33/40/1276403340.db2.gz BJLAGODMRAKIEG-HNAYVOBHSA-N 1 1 335.467 2.703 20 10 EFCDMO C[C@@H](N[C@H](C[NH3+])C1CCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000817983222 1276420709 /nfs/dbraw/zinc/42/07/09/1276420709.db2.gz ZRRHGWVHSIOOGV-RDTXWAMCSA-N 1 1 335.467 2.830 20 10 EFCDMO CCN(C)C(=O)[C@H](C)[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000788981673 1276449255 /nfs/dbraw/zinc/44/92/55/1276449255.db2.gz FTTCULQFUMBZRV-IUCAKERBSA-N 1 1 347.228 2.811 20 10 EFCDMO C[C@@H]([NH2+]CCCCS(C)(=O)=O)c1cccc(C(F)(F)F)c1O ZINC000818348862 1276518376 /nfs/dbraw/zinc/51/83/76/1276518376.db2.gz AFLAIOQBTUQIIQ-SNVBAGLBSA-N 1 1 339.379 2.886 20 10 EFCDMO C[N@H+](Cc1ccccc1)C[C@H](O)CNc1ccccc1OCCF ZINC000819488175 1276791586 /nfs/dbraw/zinc/79/15/86/1276791586.db2.gz KSMNXWQIFMSBRM-QGZVFWFLSA-N 1 1 332.419 2.940 20 10 EFCDMO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819582456 1276824573 /nfs/dbraw/zinc/82/45/73/1276824573.db2.gz MBWONVLVSRHRSS-QFBILLFUSA-N 1 1 345.487 2.512 20 10 EFCDMO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819582458 1276825393 /nfs/dbraw/zinc/82/53/93/1276825393.db2.gz MBWONVLVSRHRSS-VQIMIIECSA-N 1 1 345.487 2.512 20 10 EFCDMO CC(C)C[C@]1(CO)CCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000789593784 1276870554 /nfs/dbraw/zinc/87/05/54/1276870554.db2.gz WCFYMVFSSJLZGR-NRFANRHFSA-N 1 1 345.531 2.811 20 10 EFCDMO CC(C)C[C@]1(CO)CCC[N@@H+]1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000789593784 1276870568 /nfs/dbraw/zinc/87/05/68/1276870568.db2.gz WCFYMVFSSJLZGR-NRFANRHFSA-N 1 1 345.531 2.811 20 10 EFCDMO CC(C)C[C@]1(CO)CCC[N@H+]1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000789593784 1276870582 /nfs/dbraw/zinc/87/05/82/1276870582.db2.gz WCFYMVFSSJLZGR-NRFANRHFSA-N 1 1 345.531 2.811 20 10 EFCDMO COc1cccc(O)c1C[N@H+](C)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000789595368 1276874479 /nfs/dbraw/zinc/87/44/79/1276874479.db2.gz BARCQRXWCWNKCS-QGZVFWFLSA-N 1 1 340.423 2.634 20 10 EFCDMO COc1cccc(O)c1C[N@@H+](C)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000789595368 1276874490 /nfs/dbraw/zinc/87/44/90/1276874490.db2.gz BARCQRXWCWNKCS-QGZVFWFLSA-N 1 1 340.423 2.634 20 10 EFCDMO CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cccc(C[NH+](C)C)c1 ZINC000819761694 1276912390 /nfs/dbraw/zinc/91/23/90/1276912390.db2.gz ZOXLADUTYKGGGS-UHFFFAOYSA-N 1 1 333.428 2.870 20 10 EFCDMO Cc1cc(C[N@@H+](C)[C@@H]2CCN(CC(F)(F)F)C2=O)ccc1N(C)C ZINC000815048854 1287268170 /nfs/dbraw/zinc/26/81/70/1287268170.db2.gz RSTSUAQQOYCKJJ-OAHLLOKOSA-N 1 1 343.393 2.656 20 10 EFCDMO O=C1N(CC(F)F)CC[C@@]12CC[N@H+](Cc1ccc(Cl)cc1O)C2 ZINC001273164417 1277157240 /nfs/dbraw/zinc/15/72/40/1277157240.db2.gz VNOIYQGDWBRWGJ-MRXNPFEDSA-N 1 1 344.789 2.735 20 10 EFCDMO C[C@H]1OCC[C@]12C[N@@H+](Cc1c(O)ccc3ccncc31)C[C@@H](C)O2 ZINC000790399760 1277539754 /nfs/dbraw/zinc/53/97/54/1277539754.db2.gz HOCYTHDRWHJVHF-LPMFXHHGSA-N 1 1 328.412 2.709 20 10 EFCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2N(C)CCCC2(C)C)c1 ZINC000790495756 1277600633 /nfs/dbraw/zinc/60/06/33/1277600633.db2.gz ANSVSXREKZTBSN-DYVFJYSZSA-N 1 1 334.460 2.950 20 10 EFCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@H]2N(C)CCCC2(C)C)c1 ZINC000790495755 1277600995 /nfs/dbraw/zinc/60/09/95/1277600995.db2.gz ANSVSXREKZTBSN-CXAGYDPISA-N 1 1 334.460 2.950 20 10 EFCDMO CN(C)c1ccc(CNC(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)cc1 ZINC000790467803 1277608170 /nfs/dbraw/zinc/60/81/70/1277608170.db2.gz JJYMQGSNXLWXNO-QGZVFWFLSA-N 1 1 332.492 2.672 20 10 EFCDMO Oc1c(Br)cccc1C[NH2+]Cc1cnc2n1CCCC2 ZINC000790637641 1277693317 /nfs/dbraw/zinc/69/33/17/1277693317.db2.gz KUEDPPFBRQGSRA-UHFFFAOYSA-N 1 1 336.233 2.977 20 10 EFCDMO C[C@@H](O)C[C@H]1CCCC[N@@H+]1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000790934316 1277853437 /nfs/dbraw/zinc/85/34/37/1277853437.db2.gz KHKARUHHZGHOSL-YLJYHZDGSA-N 1 1 331.504 2.564 20 10 EFCDMO C[C@@H](O)C[C@H]1CCCC[N@H+]1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000790934316 1277853439 /nfs/dbraw/zinc/85/34/39/1277853439.db2.gz KHKARUHHZGHOSL-YLJYHZDGSA-N 1 1 331.504 2.564 20 10 EFCDMO Oc1ccc(Cl)c(F)c1C[NH2+]C[C@@H](O)COc1ccccc1 ZINC000790949824 1277873991 /nfs/dbraw/zinc/87/39/91/1277873991.db2.gz IZKVRBZDIJZYSV-LLVKDONJSA-N 1 1 325.767 2.714 20 10 EFCDMO CC(C)[C@H]([NH2+]Cc1c(O)ccc(Cl)c1F)C(=O)N1CCCC1 ZINC000790965537 1277883586 /nfs/dbraw/zinc/88/35/86/1277883586.db2.gz NRZKSIUAWFSRJV-HNNXBMFYSA-N 1 1 328.815 2.921 20 10 EFCDMO Oc1ccc(Cl)c(F)c1C[NH2+][C@@H]1CCCC[C@H]1N1CCOCC1 ZINC000790977730 1277908559 /nfs/dbraw/zinc/90/85/59/1277908559.db2.gz RIHXVSVABFVVKE-HUUCEWRRSA-N 1 1 342.842 2.918 20 10 EFCDMO CCC[N@H+]1CC[C@H](CNC(=O)NCc2cc(Cl)ccc2O)C1 ZINC000844518067 1279069196 /nfs/dbraw/zinc/06/91/96/1279069196.db2.gz GPBZMVPIEWJZFV-GFCCVEGCSA-N 1 1 325.840 2.577 20 10 EFCDMO CC[N@H+](CC(=O)N(C)C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792789217 1279153260 /nfs/dbraw/zinc/15/32/60/1279153260.db2.gz HZANNMXPXCLMKY-UHFFFAOYSA-N 1 1 331.382 2.682 20 10 EFCDMO CN1CCN(c2ccc(C[NH2+]C[C@H](CO)C3CCCCC3)cc2)CC1 ZINC000815150486 1287329814 /nfs/dbraw/zinc/32/98/14/1287329814.db2.gz GAAUXWCNNPWJQL-HXUWFJFHSA-N 1 1 345.531 2.717 20 10 EFCDMO CCCC[N@H+]1CCCC[C@H]1CNC(=O)NCc1ccc(OC)cc1O ZINC000792921263 1279276706 /nfs/dbraw/zinc/27/67/06/1279276706.db2.gz DSHQCSZTBPZXSZ-INIZCTEOSA-N 1 1 349.475 2.855 20 10 EFCDMO C[C@@H](CNC(=O)NCc1cc(Cl)ccc1O)[N@H+]1CCC[C@H](C)C1 ZINC000844879930 1279312971 /nfs/dbraw/zinc/31/29/71/1279312971.db2.gz NPCIOVZGQHVNTM-STQMWFEESA-N 1 1 339.867 2.965 20 10 EFCDMO C[C@@H]1CCC[N@@H+](CCNC(=O)NCc2cc(Cl)ccc2O)C1 ZINC000844880402 1279332763 /nfs/dbraw/zinc/33/27/63/1279332763.db2.gz RADVCWDLLMFQTG-GFCCVEGCSA-N 1 1 325.840 2.577 20 10 EFCDMO Cc1[nH+]ccn1CCCCNC(=O)NCc1cc(Cl)ccc1O ZINC000845008623 1279383861 /nfs/dbraw/zinc/38/38/61/1279383861.db2.gz LNQSHNYIKDGYJW-UHFFFAOYSA-N 1 1 336.823 2.830 20 10 EFCDMO C[NH+](C)[C@@H]1CCCN(Cc2cc(Br)c(F)cc2O)C1 ZINC001144300208 1279394304 /nfs/dbraw/zinc/39/43/04/1279394304.db2.gz XKHZFOZWIMKONJ-LLVKDONJSA-N 1 1 331.229 2.820 20 10 EFCDMO C[NH+](C)[C@H]1CCCN(Cc2cc(Br)c(F)cc2O)C1 ZINC001144300209 1279394645 /nfs/dbraw/zinc/39/46/45/1279394645.db2.gz XKHZFOZWIMKONJ-NSHDSACASA-N 1 1 331.229 2.820 20 10 EFCDMO Oc1cc(F)c(Br)cc1C[N@@H+]1CC[C@H]2OCC[C@@H]2C1 ZINC001144306582 1279403659 /nfs/dbraw/zinc/40/36/59/1279403659.db2.gz HTJDVYXZPUKUCJ-YMTOWFKASA-N 1 1 330.197 2.905 20 10 EFCDMO Oc1cc(F)c(Br)cc1C[N@H+]1CC[C@H]2OCC[C@@H]2C1 ZINC001144306582 1279403663 /nfs/dbraw/zinc/40/36/63/1279403663.db2.gz HTJDVYXZPUKUCJ-YMTOWFKASA-N 1 1 330.197 2.905 20 10 EFCDMO Fc1cc(C[N@H+]2CCC[C@H]2[C@@H]2CCCO2)ccc1N1CCOCC1 ZINC000793608972 1279755642 /nfs/dbraw/zinc/75/56/42/1279755642.db2.gz MFHQGICPIDBYRR-OALUTQOASA-N 1 1 334.435 2.806 20 10 EFCDMO C[C@@H](O)CN1CC[N@@H+](Cc2cc(-c3ccccc3)ccc2O)[C@@H](C)C1 ZINC000793589817 1279759554 /nfs/dbraw/zinc/75/95/54/1279759554.db2.gz MMUOLGOWOGAOLX-DLBZAZTESA-N 1 1 340.467 2.946 20 10 EFCDMO C[C@@H](O)C[N@@H+]1CCN(Cc2cc(-c3ccccc3)ccc2O)[C@@H](C)C1 ZINC000793589817 1279759564 /nfs/dbraw/zinc/75/95/64/1279759564.db2.gz MMUOLGOWOGAOLX-DLBZAZTESA-N 1 1 340.467 2.946 20 10 EFCDMO C[C@@H](O)C[N@H+]1CCN(Cc2cc(-c3ccccc3)ccc2O)[C@@H](C)C1 ZINC000793589817 1279759571 /nfs/dbraw/zinc/75/95/71/1279759571.db2.gz MMUOLGOWOGAOLX-DLBZAZTESA-N 1 1 340.467 2.946 20 10 EFCDMO CC(C)[N@@H+](CCNC(=O)OC(C)(C)C)Cc1c(O)cc(O)cc1O ZINC001144514511 1279774148 /nfs/dbraw/zinc/77/41/48/1279774148.db2.gz INSLBHQSQNEDGO-UHFFFAOYSA-N 1 1 340.420 2.539 20 10 EFCDMO Oc1cc(O)c(C[N@H+]2CCCN(Cc3ccc(F)cc3)CC2)c(O)c1 ZINC001144514469 1279774288 /nfs/dbraw/zinc/77/42/88/1279774288.db2.gz GNIXEQZKLGMCCL-UHFFFAOYSA-N 1 1 346.402 2.650 20 10 EFCDMO Cc1ccc([C@@]2(C)C[N@@H+](Cc3c(O)cc(O)cc3O)CCO2)cc1 ZINC001144514768 1279774888 /nfs/dbraw/zinc/77/48/88/1279774888.db2.gz RJEIMLIVQDDYPP-LJQANCHMSA-N 1 1 329.396 2.859 20 10 EFCDMO Cc1cccc(O[C@H]2CCC[N@@H+](Cc3c(O)cc(O)cc3O)C2)n1 ZINC001144515812 1279777576 /nfs/dbraw/zinc/77/75/76/1279777576.db2.gz GDKWTPOFBQGQPB-AWEZNQCLSA-N 1 1 330.384 2.550 20 10 EFCDMO Oc1cc(O)c(C[N@H+]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]32)c(O)c1 ZINC001144516395 1279779707 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VBDZILANTRWSEF-KSSFIOAISA-N 1 1 344.455 2.948 20 10 EFCDMO CCOC(=O)c1c(CN2CCC[N@@H+](CC)CC2)c2ccccc2n1C ZINC001233270530 1312890462 /nfs/dbraw/zinc/89/04/62/1312890462.db2.gz QRWBXKBQPKCAKJ-UHFFFAOYSA-N 1 1 343.471 2.883 20 10 EFCDMO CCOC(=O)c1c(C[N@H+]2CCC[C@H](C)[C@@H]2CO)c2ccccc2n1C ZINC001233270560 1312890598 /nfs/dbraw/zinc/89/05/98/1312890598.db2.gz RPKQSAARYZZOGB-KSSFIOAISA-N 1 1 344.455 2.948 20 10 EFCDMO CC(C)(C)c1ccc(O)c(CN2CCN(CC[NH+]3CCCC3)CC2)c1 ZINC001233286633 1312895570 /nfs/dbraw/zinc/89/55/70/1312895570.db2.gz CGFXWZROMSLQJI-UHFFFAOYSA-N 1 1 345.531 2.903 20 10 EFCDMO COc1cc(Cl)cc(C[N@@H+](C)[C@@H]2CCC3(C2)OCCO3)c1O ZINC001233290820 1312896252 /nfs/dbraw/zinc/89/62/52/1312896252.db2.gz YBZVZPUOFMEBHB-CYBMUJFWSA-N 1 1 327.808 2.782 20 10 EFCDMO COc1cc(Cl)cc(C[N@H+]2C[C@@H]3COC[C@H](C2)C3(F)F)c1O ZINC001233290043 1312896619 /nfs/dbraw/zinc/89/66/19/1312896619.db2.gz FDOSPUREHPIGDX-PHIMTYICSA-N 1 1 333.762 2.768 20 10 EFCDMO 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CC[C@H]1CN(Cc2ccccc2)CC[N@@H+]1Cc1cc(O)c(O)cc1O ZINC001233487096 1312940359 /nfs/dbraw/zinc/94/03/59/1312940359.db2.gz PEXVKPNHCPJFPM-KRWDZBQOSA-N 1 1 342.439 2.900 20 10 EFCDMO CC[C@H]1CN(Cc2ccccc2)CC[N@H+]1Cc1cc(O)c(O)cc1O ZINC001233487096 1312940362 /nfs/dbraw/zinc/94/03/62/1312940362.db2.gz PEXVKPNHCPJFPM-KRWDZBQOSA-N 1 1 342.439 2.900 20 10 EFCDMO Oc1cc(O)c(C[N@@H+](Cc2ccccc2)C2CCOCC2)cc1O ZINC001233486102 1312940661 /nfs/dbraw/zinc/94/06/61/1312940661.db2.gz YOSVYOCXFODQFB-UHFFFAOYSA-N 1 1 329.396 2.985 20 10 EFCDMO COC[C@@H](C)[N@@H+](Cc1cccc(OC)c1)Cc1cc(O)c(O)cc1O ZINC001233486403 1312940680 /nfs/dbraw/zinc/94/06/80/1312940680.db2.gz LXKAXHZIIWDMHX-CYBMUJFWSA-N 1 1 347.411 2.849 20 10 EFCDMO COc1ccccc1[C@H](O)C[N@@H+](Cc1cc(O)c(O)cc1O)C(C)C ZINC001233486604 1312940840 /nfs/dbraw/zinc/94/08/40/1312940840.db2.gz UGSYDFQWHACWFT-GOSISDBHSA-N 1 1 347.411 2.756 20 10 EFCDMO CC[C@@H]([NH2+][C@H](C)CN1CCN(C)CC1)c1cc(Cl)ccc1O ZINC000775500911 1292783300 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1 340.423 2.846 20 10 EFCDMO Oc1ccccc1C[N@H+]1CCC[C@@]2(C[C@H](Oc3ccccn3)CO2)C1 ZINC001203552129 1312954159 /nfs/dbraw/zinc/95/41/59/1312954159.db2.gz BOZDXFCVHUUGDA-FXAWDEMLSA-N 1 1 340.423 2.990 20 10 EFCDMO Oc1ccccc1C[N@H+]1C[C@H](Oc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001203551307 1312954220 /nfs/dbraw/zinc/95/42/20/1312954220.db2.gz BQYFATWVYDNYEG-WDSOQIARSA-N 1 1 326.396 2.598 20 10 EFCDMO Oc1ccccc1C[N@H+]1CC[C@]2(C[C@H](Oc3ccccn3)CO2)C1 ZINC001203552483 1312954270 /nfs/dbraw/zinc/95/42/70/1312954270.db2.gz MQDZDEQIDBGBIS-LPHOPBHVSA-N 1 1 326.396 2.600 20 10 EFCDMO Oc1ccccc1C[N@H+]1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC001203552488 1312954617 /nfs/dbraw/zinc/95/46/17/1312954617.db2.gz MRMZHBSFEOALMO-MJGOQNOKSA-N 1 1 326.396 2.600 20 10 EFCDMO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2O)C1)c1ccccc1F ZINC001203561355 1312956294 /nfs/dbraw/zinc/95/62/94/1312956294.db2.gz RWNDFNKAJBLOHB-OAHLLOKOSA-N 1 1 328.387 2.926 20 10 EFCDMO Cc1cc(Cn2cc(C[NH2+]Cc3ccccc3)nn2)ccc1N(C)C ZINC000881378152 1292863804 /nfs/dbraw/zinc/86/38/04/1292863804.db2.gz GZIAMKYOCGOSNC-UHFFFAOYSA-N 1 1 335.455 2.991 20 10 EFCDMO Cc1ccc(C[N@H+]2CC[C@H](NC(=O)c3c(F)ccc(O)c3O)C2)cc1 ZINC000881414861 1292881314 /nfs/dbraw/zinc/88/13/14/1292881314.db2.gz PFPIDDVUGUTMAO-AWEZNQCLSA-N 1 1 344.386 2.550 20 10 EFCDMO COc1cccc(C[N@H+]2CCCN(Cc3ccncc3)CC2)c1O ZINC001203586124 1312962939 /nfs/dbraw/zinc/96/29/39/1312962939.db2.gz YVECCLWKQVUZCL-UHFFFAOYSA-N 1 1 327.428 2.504 20 10 EFCDMO COc1cccc(C[N@H+]2CC[C@H]3CN(C(=O)OC(C)(C)C)[C@H]3C2)c1O ZINC001203590480 1312964933 /nfs/dbraw/zinc/96/49/33/1312964933.db2.gz ZCYKVIXAKWDGSY-ZFWWWQNUSA-N 1 1 348.443 2.842 20 10 EFCDMO COCC[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1cccc(OC)c1O)C2 ZINC001203591298 1312965039 /nfs/dbraw/zinc/96/50/39/1312965039.db2.gz GMCURBGPHQOYCH-KXBFYZLASA-N 1 1 335.444 2.808 20 10 EFCDMO COc1cccc(C[N@H+]2CC[C@@]3(C[C@@H](OCC4CC4)CO3)C2)c1O ZINC001203593372 1312965232 /nfs/dbraw/zinc/96/52/32/1312965232.db2.gz LSGNGDVQSSMQBR-VQIMIIECSA-N 1 1 333.428 2.561 20 10 EFCDMO COc1cccc(C[N@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)CC[C@H]32)c1O ZINC001203590283 1312965493 /nfs/dbraw/zinc/96/54/93/1312965493.db2.gz VSVKKGQKZOXBNN-HUUCEWRRSA-N 1 1 348.443 2.842 20 10 EFCDMO COc1cccc(C[N@H+]2CCC[C@@]3(C[C@H](OCC4CC4)CO3)C2)c1O ZINC001203591062 1312965525 /nfs/dbraw/zinc/96/55/25/1312965525.db2.gz BADNQQPSTBNQES-FXAWDEMLSA-N 1 1 347.455 2.951 20 10 EFCDMO COc1cccc(C[N@H+]2CCCN(c3cccc(C)n3)CC2)c1O ZINC001203596412 1312966322 /nfs/dbraw/zinc/96/63/22/1312966322.db2.gz AZBURGSSKKRKII-UHFFFAOYSA-N 1 1 327.428 2.817 20 10 EFCDMO CCC[NH+](CCC)CCN1CCN(Cc2cccc(OC)c2O)CC1 ZINC001203596898 1312966868 /nfs/dbraw/zinc/96/68/68/1312966868.db2.gz SPNNEZGZRBWSDH-UHFFFAOYSA-N 1 1 349.519 2.640 20 10 EFCDMO COc1cccc(C[N@@H+]2CCN(C(=O)c3ccccc3)C[C@H]2C)c1O ZINC001203601562 1312967687 /nfs/dbraw/zinc/96/76/87/1312967687.db2.gz AFZYCRUKTJCKLX-OAHLLOKOSA-N 1 1 340.423 2.747 20 10 EFCDMO COc1cccc(C[N@H+]2CCN(C(=O)c3ccccc3)C[C@H]2C)c1O ZINC001203601562 1312967691 /nfs/dbraw/zinc/96/76/91/1312967691.db2.gz AFZYCRUKTJCKLX-OAHLLOKOSA-N 1 1 340.423 2.747 20 10 EFCDMO COc1cccc(O[C@@H]2CCC[N@@H+](Cc3cccc(OC)c3O)C2)n1 ZINC001203601962 1312968014 /nfs/dbraw/zinc/96/80/14/1312968014.db2.gz SWHIGXBHWORPHF-OAHLLOKOSA-N 1 1 344.411 2.848 20 10 EFCDMO CCOc1cccc(C[N@H+]2C[C@@H]3C(=O)Nc4ccccc4[C@H]3C2)c1O ZINC001203603466 1312968147 /nfs/dbraw/zinc/96/81/47/1312968147.db2.gz QLWZEGWHVRIJEN-CVEARBPZSA-N 1 1 338.407 2.959 20 10 EFCDMO CCOc1cccc(C[N@H+]2C[C@H]3C[C@@H](C2)N3C(=O)OC(C)(C)C)c1O ZINC001203603183 1312968253 /nfs/dbraw/zinc/96/82/53/1312968253.db2.gz JTQAQNFFQBGPCK-GASCZTMLSA-N 1 1 348.443 2.985 20 10 EFCDMO CCOc1cccc(C[N@@H+]2C[C@H]3C[C@@H](C2)N3C(=O)OC(C)(C)C)c1O ZINC001203603183 1312968254 /nfs/dbraw/zinc/96/82/54/1312968254.db2.gz JTQAQNFFQBGPCK-GASCZTMLSA-N 1 1 348.443 2.985 20 10 EFCDMO CCOc1cccc(C[N@@H+]2Cc3cnn(CC)c3[C@H](COC)C2)c1O ZINC001203608133 1312969850 /nfs/dbraw/zinc/96/98/50/1312969850.db2.gz IYNXBYORNSKKSS-INIZCTEOSA-N 1 1 345.443 2.753 20 10 EFCDMO CCOc1cccc(C[N@H+]2CC[C@@]3(C2)CCCCN3C(C)=O)c1O ZINC001203610132 1312970027 /nfs/dbraw/zinc/97/00/27/1312970027.db2.gz WNDLBVJEXYYMMD-LJQANCHMSA-N 1 1 332.444 2.768 20 10 EFCDMO CCOc1cccc(C[N@H+]2CC[C@@H]3[C@@H](CCN3C(=O)C(C)C)C2)c1O ZINC001203609107 1312970057 /nfs/dbraw/zinc/97/00/57/1312970057.db2.gz ALUFRELDGWEARJ-DOTOQJQBSA-N 1 1 346.471 2.870 20 10 EFCDMO CCOc1cccc(C[N@H+]2CCC[C@]3(CCN(CC)C3=O)C2)c1O ZINC001203610186 1312970288 /nfs/dbraw/zinc/97/02/88/1312970288.db2.gz YKQXTNFRSUCXRT-IBGZPJMESA-N 1 1 332.444 2.625 20 10 EFCDMO CCOc1cccc(CN2CC[NH+](CCc3ccccn3)CC2)c1O ZINC001203609533 1312970448 /nfs/dbraw/zinc/97/04/48/1312970448.db2.gz XPTLBJXNGDOOKF-UHFFFAOYSA-N 1 1 341.455 2.546 20 10 EFCDMO CCOc1cccc(C[N@H+]2CC[C@H]3[C@H](CCN3C(=O)C(C)C)C2)c1O ZINC001203609110 1312970572 /nfs/dbraw/zinc/97/05/72/1312970572.db2.gz ALUFRELDGWEARJ-WBVHZDCISA-N 1 1 346.471 2.870 20 10 EFCDMO CCOc1cccc(C[N@H+]2CC[C@H](Oc3ccnc(OC)c3)C2)c1O ZINC001203617572 1312972368 /nfs/dbraw/zinc/97/23/68/1312972368.db2.gz QJFPNIGADHOPRH-INIZCTEOSA-N 1 1 344.411 2.848 20 10 EFCDMO CCOc1cccc(C[N@H+]2CC[C@@H](Oc3ncncc3C)C2)c1O ZINC001203617702 1312972503 /nfs/dbraw/zinc/97/25/03/1312972503.db2.gz VFEGSWKBYHIOFF-OAHLLOKOSA-N 1 1 329.400 2.543 20 10 EFCDMO COc1ccc(C[N@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]32)c(O)c1 ZINC001203621880 1312973052 /nfs/dbraw/zinc/97/30/52/1312973052.db2.gz JGLLKJZTFMYQCB-ZBFHGGJFSA-N 1 1 348.443 2.842 20 10 EFCDMO COc1ccc(C[N@H+]2C[C@H]3C[C@@H](C2)N3C(=O)OC(C)(C)C)c(O)c1 ZINC001203622064 1312973294 /nfs/dbraw/zinc/97/32/94/1312973294.db2.gz NDHGCBHZZZIQMB-OKILXGFUSA-N 1 1 334.416 2.594 20 10 EFCDMO COc1ccc(C[N@@H+]2C[C@H]3C[C@@H](C2)N3C(=O)OC(C)(C)C)c(O)c1 ZINC001203622064 1312973297 /nfs/dbraw/zinc/97/32/97/1312973297.db2.gz NDHGCBHZZZIQMB-OKILXGFUSA-N 1 1 334.416 2.594 20 10 EFCDMO COc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)c(O)c1 ZINC001203621624 1312973316 /nfs/dbraw/zinc/97/33/16/1312973316.db2.gz FEYUGZCTDUGIIX-GASCZTMLSA-N 1 1 348.443 2.985 20 10 EFCDMO COc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)c(O)c1 ZINC001203621624 1312973319 /nfs/dbraw/zinc/97/33/19/1312973319.db2.gz FEYUGZCTDUGIIX-GASCZTMLSA-N 1 1 348.443 2.985 20 10 EFCDMO COc1ccc(C[N@H+]2CCC3(CN(C(=O)OC(C)(C)C)C3)C2)c(O)c1 ZINC001203621683 1312973475 /nfs/dbraw/zinc/97/34/75/1312973475.db2.gz GNCXTYIXIDBXAR-UHFFFAOYSA-N 1 1 348.443 2.844 20 10 EFCDMO CCOCc1ncn2c1C[N@@H+](Cc1ccc(OC)cc1O)CCC2 ZINC001203623126 1312974201 /nfs/dbraw/zinc/97/42/01/1312974201.db2.gz JDEKSJDYBTZWCI-UHFFFAOYSA-N 1 1 331.416 2.540 20 10 EFCDMO COc1ccc(C[N@H+]2C[C@H]3CN(c4ccsc4)C(=O)[C@H]3C2)c(O)c1 ZINC001203628842 1312975390 /nfs/dbraw/zinc/97/53/90/1312975390.db2.gz HAGBIWRQHOXOSJ-BBRMVZONSA-N 1 1 344.436 2.557 20 10 EFCDMO COc1ccc(C[N@H+]2CC[C@]3(C[C@H](OCC4CC4)CO3)C2)c(O)c1 ZINC001203629974 1312975704 /nfs/dbraw/zinc/97/57/04/1312975704.db2.gz PMDBLWBOKBUKRZ-HKUYNNGSSA-N 1 1 333.428 2.561 20 10 EFCDMO COc1ccc(C[N@H+]2CCCN(c3cccc(C)n3)CC2)c(O)c1 ZINC001203629333 1312975895 /nfs/dbraw/zinc/97/58/95/1312975895.db2.gz WSSDQQAKDLDINM-UHFFFAOYSA-N 1 1 327.428 2.817 20 10 EFCDMO OC[C@@]1(F)CCC[N@@H+](Cc2cc(Br)ccc2O)CC1 ZINC001203636530 1312977283 /nfs/dbraw/zinc/97/72/83/1312977283.db2.gz WHQJKVJUCBTSNB-CQSZACIVSA-N 1 1 332.213 2.841 20 10 EFCDMO Oc1c(C[N@H+]2CCC[C@](O)(CF)CC2)cccc1OC(F)(F)F ZINC001233726258 1312978718 /nfs/dbraw/zinc/97/87/18/1312978718.db2.gz BJDMZTJJNIOTEI-CQSZACIVSA-N 1 1 337.313 2.977 20 10 EFCDMO OC[C@]1(F)CCC[N@@H+](Cc2cccc(OC(F)(F)F)c2O)CC1 ZINC001233726682 1312978794 /nfs/dbraw/zinc/97/87/94/1312978794.db2.gz FYECDIDAFUSYNX-AWEZNQCLSA-N 1 1 337.313 2.977 20 10 EFCDMO C[N@@H+]1C[C@H]2[C@H](C1)CCCN2Cc1cc(Br)ccc1O ZINC001203645797 1312979805 /nfs/dbraw/zinc/97/98/05/1312979805.db2.gz SPAHYRZBFUNKMD-FZMZJTMJSA-N 1 1 325.250 2.681 20 10 EFCDMO COC(=O)[C@@H]1CCC[N@@H+](Cc2cc(Br)ccc2O)CC1 ZINC001203648273 1312979913 /nfs/dbraw/zinc/97/99/13/1312979913.db2.gz HXHVJTGFYQCBRU-LLVKDONJSA-N 1 1 342.233 2.930 20 10 EFCDMO O=C1CC[C@]2(CCC[N@H+](Cc3cc(Br)ccc3O)C2)O1 ZINC001203649804 1312980565 /nfs/dbraw/zinc/98/05/65/1312980565.db2.gz HFZZBYMWGLDAHV-HNNXBMFYSA-N 1 1 340.217 2.826 20 10 EFCDMO C[NH+]1CCC2(CN(Cc3cc(Br)ccc3O)C2)CC1 ZINC001203650185 1312980770 /nfs/dbraw/zinc/98/07/70/1312980770.db2.gz LVAQJPAGOLMQQY-UHFFFAOYSA-N 1 1 325.250 2.682 20 10 EFCDMO C[N@H+]1C[C@H]2CCCN(Cc3cccc(OC(F)(F)F)c3O)[C@@H]2C1 ZINC001233760082 1312985147 /nfs/dbraw/zinc/98/51/47/1312985147.db2.gz BMLGLJLCETVMJT-DGCLKSJQSA-N 1 1 330.350 2.817 20 10 EFCDMO CN1C[C@H]2CCC[N@H+](Cc3cccc(OC(F)(F)F)c3O)[C@@H]2C1 ZINC001233760082 1312985151 /nfs/dbraw/zinc/98/51/51/1312985151.db2.gz BMLGLJLCETVMJT-DGCLKSJQSA-N 1 1 330.350 2.817 20 10 EFCDMO CN1C[C@H]2CCC[N@@H+](Cc3cccc(OC(F)(F)F)c3O)[C@@H]2C1 ZINC001233760082 1312985156 /nfs/dbraw/zinc/98/51/56/1312985156.db2.gz BMLGLJLCETVMJT-DGCLKSJQSA-N 1 1 330.350 2.817 20 10 EFCDMO COc1ccc(O)c(C[N@H+]2CC[C@@H](F)[C@@](O)(C(F)(F)F)CC2)c1 ZINC001203670294 1312985470 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EFCDMO Oc1c(C[N@H+]2CC[C@@H](N3CCCC3)C2)cccc1OC(F)(F)F ZINC001233761531 1312985980 /nfs/dbraw/zinc/98/59/80/1312985980.db2.gz VENZKFOSILESKD-CYBMUJFWSA-N 1 1 330.350 2.961 20 10 EFCDMO COc1ccc(O)c(C[N@H+]2CCCn3cnc(COC(C)C)c3C2)c1 ZINC001203675106 1312986923 /nfs/dbraw/zinc/98/69/23/1312986923.db2.gz MYAZXGVVVXVTMM-UHFFFAOYSA-N 1 1 345.443 2.928 20 10 EFCDMO COc1ccc(O)c(C[N@H+]2CC[C@]3(C[C@H](OCC4CC4)CO3)C2)c1 ZINC001203675014 1312987231 /nfs/dbraw/zinc/98/72/31/1312987231.db2.gz HVCFMRHJDBSWOP-HKUYNNGSSA-N 1 1 333.428 2.561 20 10 EFCDMO C[N@@H+](C1CC1)[C@@H]1CCN(Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001233768673 1312987459 /nfs/dbraw/zinc/98/74/59/1312987459.db2.gz WPWUJJBBSJTUSA-CYBMUJFWSA-N 1 1 330.350 2.959 20 10 EFCDMO CN(C1CC1)[C@@H]1CC[N@H+](Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001233768673 1312987461 /nfs/dbraw/zinc/98/74/61/1312987461.db2.gz WPWUJJBBSJTUSA-CYBMUJFWSA-N 1 1 330.350 2.959 20 10 EFCDMO CN(C1CC1)[C@@H]1CC[N@@H+](Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001233768673 1312987465 /nfs/dbraw/zinc/98/74/65/1312987465.db2.gz WPWUJJBBSJTUSA-CYBMUJFWSA-N 1 1 330.350 2.959 20 10 EFCDMO CCOC(=O)[C@H]1[C@@H]2C[N@H+](Cc3cccc(OC(F)(F)F)c3O)C[C@@H]21 ZINC001233768349 1312987755 /nfs/dbraw/zinc/98/77/55/1312987755.db2.gz PQSQMKLQLZILNU-PJXYFTJBSA-N 1 1 345.317 2.532 20 10 EFCDMO COC(=O)[C@H](Cc1ccccc1)[N@H+](C)Cc1cc(OC)ccc1O ZINC001203680103 1312989144 /nfs/dbraw/zinc/98/91/44/1312989144.db2.gz DSDCQAQIRDYFRQ-KRWDZBQOSA-N 1 1 329.396 2.617 20 10 EFCDMO COC(=O)[C@H](Cc1ccccc1)[N@@H+](C)Cc1cc(OC)ccc1O ZINC001203680103 1312989148 /nfs/dbraw/zinc/98/91/48/1312989148.db2.gz DSDCQAQIRDYFRQ-KRWDZBQOSA-N 1 1 329.396 2.617 20 10 EFCDMO COc1ccc(O)c(C[N@@H+](C)[C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c1 ZINC001203680856 1312989242 /nfs/dbraw/zinc/98/92/42/1312989242.db2.gz HNZPBBIKNUAHAA-QLPKVWCKSA-N 1 1 348.443 2.698 20 10 EFCDMO COc1ccc(O)c(C[N@@H+]2CCN(C(=O)c3ccccc3)C[C@H]2C)c1 ZINC001203683861 1312989727 /nfs/dbraw/zinc/98/97/27/1312989727.db2.gz GOBLSFIQXNENER-OAHLLOKOSA-N 1 1 340.423 2.747 20 10 EFCDMO COc1ccc(O)c(C[N@H+]2CCN(C(=O)c3ccccc3)C[C@H]2C)c1 ZINC001203683861 1312989730 /nfs/dbraw/zinc/98/97/30/1312989730.db2.gz GOBLSFIQXNENER-OAHLLOKOSA-N 1 1 340.423 2.747 20 10 EFCDMO COc1ccc(O)c(C[N@H+]2CCC[C@@H](Oc3ncncc3C)C2)c1 ZINC001203684020 1312989737 /nfs/dbraw/zinc/98/97/37/1312989737.db2.gz JRYAUEHCHSHNRS-MRXNPFEDSA-N 1 1 329.400 2.543 20 10 EFCDMO COC(=O)[C@H]1C[N@@H+](Cc2cc(OC)ccc2O)C[C@@H]1c1ccccc1 ZINC001203684529 1312989850 /nfs/dbraw/zinc/98/98/50/1312989850.db2.gz YZOGSUJAHYRFKQ-MSOLQXFVSA-N 1 1 341.407 2.789 20 10 EFCDMO CC(=O)N1CCC[C@@H]([N@@H+](C)Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001233776457 1312989999 /nfs/dbraw/zinc/98/99/99/1312989999.db2.gz SVHKRVNHZAZTSM-CYBMUJFWSA-N 1 1 346.349 2.734 20 10 EFCDMO COC(=O)CC[N@@H+](Cc1cccc(OC(F)(F)F)c1O)C1CC1 ZINC001233776580 1312990432 /nfs/dbraw/zinc/99/04/32/1312990432.db2.gz VQKHYDOYUWLCBB-UHFFFAOYSA-N 1 1 333.306 2.818 20 10 EFCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCC[C@H]1CC(C)C)cc2=O ZINC000130237945 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EFCDMO CN(C)C(=O)c1cccc(CC[NH2+]Cc2cc(F)cc(F)c2O)c1 ZINC000883018287 1293432162 /nfs/dbraw/zinc/43/21/62/1293432162.db2.gz WVJFEDPUNKORLI-UHFFFAOYSA-N 1 1 334.366 2.705 20 10 EFCDMO CCOC(=O)c1csc(CC[NH2+]Cc2cc(F)cc(F)c2O)n1 ZINC000883100341 1293462245 /nfs/dbraw/zinc/46/22/45/1293462245.db2.gz UXNXILNRXDCPHM-UHFFFAOYSA-N 1 1 342.367 2.636 20 10 EFCDMO C[S@](=O)Cc1ccc(C[NH2+]Cc2cc(F)cc(F)c2O)cc1 ZINC000883118674 1293468353 /nfs/dbraw/zinc/46/83/53/1293468353.db2.gz CDXQIIDVDXERFL-QFIPXVFZSA-N 1 1 325.380 2.839 20 10 EFCDMO Cc1cc(Br)c(O)c(C[NH2+][C@H]2CCCC23OCCO3)c1 ZINC000883179188 1293494722 /nfs/dbraw/zinc/49/47/22/1293494722.db2.gz QDTFZZQPWPTCFC-ZDUSSCGKSA-N 1 1 342.233 2.848 20 10 EFCDMO Oc1c(F)cc(F)cc1C[NH2+]CC[C@@H](O)COCc1ccccc1 ZINC000883192018 1293500637 /nfs/dbraw/zinc/50/06/37/1293500637.db2.gz PGPRKHDLFAFAPQ-MRXNPFEDSA-N 1 1 337.366 2.728 20 10 EFCDMO Cc1ncc([C@H](C)[NH2+]Cc2ccc(N3CCN(C)CC3)cc2)c(C)n1 ZINC000883289606 1293532738 /nfs/dbraw/zinc/53/27/38/1293532738.db2.gz UUWKEZFPJUAMLD-HNNXBMFYSA-N 1 1 339.487 2.696 20 10 EFCDMO COCC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000883290015 1293533196 /nfs/dbraw/zinc/53/31/96/1293533196.db2.gz IHBMGLMGCXCTKY-ICSRJNTNSA-N 1 1 331.504 2.733 20 10 EFCDMO CN1CCN(c2ccc(C[NH2+][C@@H]3CCc4cccc(O)c43)cc2)CC1 ZINC000883291043 1293534089 /nfs/dbraw/zinc/53/40/89/1293534089.db2.gz QEMHVTMZGGHBFU-LJQANCHMSA-N 1 1 337.467 2.921 20 10 EFCDMO CC[C@@H](C)N1C[C@]2(CC1=O)CCCC[N@H+]2Cc1c(O)cc(O)cc1O ZINC001273671189 1293548217 /nfs/dbraw/zinc/54/82/17/1293548217.db2.gz XVVKESCAVALKME-BFUOFWGJSA-N 1 1 348.443 2.559 20 10 EFCDMO CCCC[N@@H+](C)[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001194375444 1293603813 /nfs/dbraw/zinc/60/38/13/1293603813.db2.gz QNNMCKFYPQEKFZ-HNNXBMFYSA-N 1 1 331.420 2.795 20 10 EFCDMO CN1CCN(c2ccc(C[N@H+](C)Cc3cccc(O)c3)cc2)CC1 ZINC000775634674 1293794343 /nfs/dbraw/zinc/79/43/43/1293794343.db2.gz TXQVPGTXNCLIDU-UHFFFAOYSA-N 1 1 325.456 2.776 20 10 EFCDMO CN1CCN(c2ccc(C[N@@H+](C)Cc3cccc(O)c3)cc2)CC1 ZINC000775634674 1293794348 /nfs/dbraw/zinc/79/43/48/1293794348.db2.gz TXQVPGTXNCLIDU-UHFFFAOYSA-N 1 1 325.456 2.776 20 10 EFCDMO CC(C)(C)OC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccc(O)c(O)c1 ZINC001203875906 1313038595 /nfs/dbraw/zinc/03/85/95/1313038595.db2.gz YKCGALJUICKILD-CQSZACIVSA-N 1 1 336.432 2.977 20 10 EFCDMO CC(C)(C)OC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccc(O)c(O)c1 ZINC001203875906 1313038600 /nfs/dbraw/zinc/03/86/00/1313038600.db2.gz YKCGALJUICKILD-CQSZACIVSA-N 1 1 336.432 2.977 20 10 EFCDMO CC(C)(C)OC(=O)N1CC2(C1)CC[N@@H+](Cc1ccc(O)c(O)c1)C2 ZINC001203875498 1313038610 /nfs/dbraw/zinc/03/86/10/1313038610.db2.gz NUHFXYZZMSERGJ-UHFFFAOYSA-N 1 1 334.416 2.541 20 10 EFCDMO Oc1ccc(CN2C[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2)cc1O ZINC001203877351 1313039092 /nfs/dbraw/zinc/03/90/92/1313039092.db2.gz DUVIRJIZKSNNHW-GASCZTMLSA-N 1 1 330.453 2.723 20 10 EFCDMO CN(C[C@H]1CCC[N@H+]1Cc1ccc(O)c(O)c1)C(=O)OC(C)(C)C ZINC001203879915 1313040182 /nfs/dbraw/zinc/04/01/82/1313040182.db2.gz GXOUJYPJVGXOTJ-CQSZACIVSA-N 1 1 336.432 2.929 20 10 EFCDMO CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1ccc(O)c(O)c1)C2 ZINC001203880024 1313039722 /nfs/dbraw/zinc/03/97/22/1313039722.db2.gz MCTANWFKOLARNP-XOIINTDNSA-N 1 1 348.443 2.833 20 10 EFCDMO C[N@@H+](Cc1ccc(O)c(O)c1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001203878151 1313039954 /nfs/dbraw/zinc/03/99/54/1313039954.db2.gz PXEUYDUNIHMUCJ-CQSZACIVSA-N 1 1 336.432 2.929 20 10 EFCDMO O=C(N[C@@H]1CCC[N@@H+](Cc2ccc(O)c(O)c2)C1)c1ccc(F)cc1 ZINC001203881708 1313040690 /nfs/dbraw/zinc/04/06/90/1313040690.db2.gz TWXZKGLJMBZHAS-MRXNPFEDSA-N 1 1 344.386 2.631 20 10 EFCDMO O=C(N[C@@H]1CCC[N@H+](Cc2ccc(O)c(O)c2)C1)c1ccc(F)cc1 ZINC001203881708 1313040692 /nfs/dbraw/zinc/04/06/92/1313040692.db2.gz TWXZKGLJMBZHAS-MRXNPFEDSA-N 1 1 344.386 2.631 20 10 EFCDMO CC(C)(C)OC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(O)c(O)c3)C[C@@H]2C1 ZINC001203882898 1313040778 /nfs/dbraw/zinc/04/07/78/1313040778.db2.gz WMUPDVYDNVWFQH-LSDHHAIUSA-N 1 1 348.443 2.787 20 10 EFCDMO COC(=O)[C@H]1C[N@@H+](Cc2ccc(O)c(O)c2)C[C@@H]1c1ccc(F)cc1 ZINC001203881723 1313040855 /nfs/dbraw/zinc/04/08/55/1313040855.db2.gz UNDXLQUMEIUCGR-CVEARBPZSA-N 1 1 345.370 2.626 20 10 EFCDMO COc1ccc(O[C@@H]2CCC[N@@H+](Cc3ccc(O)c(O)c3)C2)nc1 ZINC001203884123 1313041222 /nfs/dbraw/zinc/04/12/22/1313041222.db2.gz SPHFRAYYTUAYPB-OAHLLOKOSA-N 1 1 330.384 2.545 20 10 EFCDMO COc1cc(O)c(C[N@H+]2CCc3ccc(O)cc3CC2)cc1OC ZINC000775665643 1293976424 /nfs/dbraw/zinc/97/64/24/1293976424.db2.gz HIVZBIUKELWZEO-UHFFFAOYSA-N 1 1 329.396 2.716 20 10 EFCDMO CN(C)c1ccc(C[N@H+]2CC[C@@]3(C2)C(=O)NC[C@H]3c2ccccc2)cc1 ZINC001203932033 1313049936 /nfs/dbraw/zinc/04/99/36/1313049936.db2.gz OVELEOHGDSBTGG-UNMCSNQZSA-N 1 1 349.478 2.858 20 10 EFCDMO CN(C)c1ccc(C[N@H+]2CC[C@]3(C2)C(=O)NC[C@H]3c2ccccc2)cc1 ZINC001203932032 1313050156 /nfs/dbraw/zinc/05/01/56/1313050156.db2.gz OVELEOHGDSBTGG-RBBKRZOGSA-N 1 1 349.478 2.858 20 10 EFCDMO Cc1cncnc1O[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC001203935218 1313051034 /nfs/dbraw/zinc/05/10/34/1313051034.db2.gz AJPKIKNYMPQDOH-GOSISDBHSA-N 1 1 326.444 2.894 20 10 EFCDMO CN(C)c1ccc(C[N@@H+]2CC3CC2(C(=O)NCc2ccco2)C3)cc1 ZINC001203934462 1313051188 /nfs/dbraw/zinc/05/11/88/1313051188.db2.gz ZDHPEQJKQFGNAJ-UHFFFAOYSA-N 1 1 339.439 2.626 20 10 EFCDMO CN(C)c1ccc(C[N@H+]2CC3CC2(C(=O)NCc2ccco2)C3)cc1 ZINC001203934462 1313051191 /nfs/dbraw/zinc/05/11/91/1313051191.db2.gz ZDHPEQJKQFGNAJ-UHFFFAOYSA-N 1 1 339.439 2.626 20 10 EFCDMO COc1cccc(O[C@H]2CC[N@@H+](Cc3ccc(N(C)C)cc3)C2)n1 ZINC001203937417 1313051396 /nfs/dbraw/zinc/05/13/96/1313051396.db2.gz QEULIRBNYQXJJV-KRWDZBQOSA-N 1 1 327.428 2.810 20 10 EFCDMO COC(=O)[C@H](Cc1ccccc1)[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC001203937915 1313051412 /nfs/dbraw/zinc/05/14/12/1313051412.db2.gz ZDUNFRHUFFCXID-IBGZPJMESA-N 1 1 326.440 2.969 20 10 EFCDMO COC(=O)[C@H](Cc1ccccc1)[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC001203937915 1313051413 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CC(C)N1CC[N@@H+](Cc2ccc(N(C)C)c3ccccc23)CC1=O ZINC001204240303 1313106961 /nfs/dbraw/zinc/10/69/61/1313106961.db2.gz NZDXPIYKGNWGEN-UHFFFAOYSA-N 1 1 325.456 2.958 20 10 EFCDMO Oc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCN3Cc3nccs3)C2)c(O)c1 ZINC001204274567 1313113287 /nfs/dbraw/zinc/11/32/87/1313113287.db2.gz PBNTUHZFEWENEF-CZUORRHYSA-N 1 1 345.468 2.651 20 10 EFCDMO O=C1C[C@]2(CC[N@H+](Cc3ccc(O)cc3O)C2)CN1c1ccsc1 ZINC001204275086 1313113789 /nfs/dbraw/zinc/11/37/89/1313113789.db2.gz WTCXFBPWUIKAMT-SFHVURJKSA-N 1 1 344.436 2.788 20 10 EFCDMO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](Cc3ccc(O)cc3O)[C@@H]2C1 ZINC001204276373 1313114356 /nfs/dbraw/zinc/11/43/56/1313114356.db2.gz LBNYNTSGHVEBSR-IUODEOHRSA-N 1 1 334.416 2.539 20 10 EFCDMO CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2Cc2ccc(O)cc2O)C1 ZINC001204275813 1313114423 /nfs/dbraw/zinc/11/44/23/1313114423.db2.gz BXAGUXZRLNAPAW-XJKSGUPXSA-N 1 1 348.443 2.929 20 10 EFCDMO CC(C)(C)OC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(O)cc3O)C[C@@H]2C1 ZINC001204278556 1313114952 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EFCDMO COC(=O)CC[N@H+](CCCN(C)C)Cc1ccc(N2CCCC2)cc1 ZINC001204327429 1313123143 /nfs/dbraw/zinc/12/31/43/1313123143.db2.gz TVALEOPTAAILAL-UHFFFAOYSA-N 1 1 347.503 2.604 20 10 EFCDMO COC(=O)CC[N@@H+](CCCN(C)C)Cc1ccc(N2CCCC2)cc1 ZINC001204327429 1313123147 /nfs/dbraw/zinc/12/31/47/1313123147.db2.gz TVALEOPTAAILAL-UHFFFAOYSA-N 1 1 347.503 2.604 20 10 EFCDMO CN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ccc(N2CCCC2)cc1 ZINC001204327909 1313123488 /nfs/dbraw/zinc/12/34/88/1313123488.db2.gz MLBXRMZWJSAHFY-FQEVSTJZSA-N 1 1 327.472 2.874 20 10 EFCDMO COc1cc(Br)cc(C[N@H+]2CCC[C@@H](C(C)=O)C2)c1O ZINC001204339448 1313125120 /nfs/dbraw/zinc/12/51/20/1313125120.db2.gz JIANFFPIZZJJHN-LLVKDONJSA-N 1 1 342.233 2.964 20 10 EFCDMO COc1cc(Br)cc(C[N@H+]2CC[C@@H]3CCO[C@H]3C2)c1O ZINC001204337428 1313125173 /nfs/dbraw/zinc/12/51/73/1313125173.db2.gz HOAVPZHUZCIMNG-YGRLFVJLSA-N 1 1 342.233 2.774 20 10 EFCDMO COc1cc(Br)cc(C[N@H+]2[C@@H](C)CC[C@H]2CO)c1O ZINC001204336481 1313125261 /nfs/dbraw/zinc/12/52/61/1313125261.db2.gz SERIKNMFNUBTMW-CABZTGNLSA-N 1 1 330.222 2.509 20 10 EFCDMO COc1cc(Br)cc(C[N@H+](C)Cc2ccno2)c1O ZINC001204341329 1313125872 /nfs/dbraw/zinc/12/58/72/1313125872.db2.gz FMOAQDSDVGYHQR-UHFFFAOYSA-N 1 1 327.178 2.783 20 10 EFCDMO COc1cc(Br)cc(C[N@@H+](C)Cc2ccno2)c1O ZINC001204341329 1313125874 /nfs/dbraw/zinc/12/58/74/1313125874.db2.gz FMOAQDSDVGYHQR-UHFFFAOYSA-N 1 1 327.178 2.783 20 10 EFCDMO COc1cc(C[N@@H+]2CC[C@@H](C(=O)c3ccccc3)C2)cc(O)c1O ZINC001204349958 1313127273 /nfs/dbraw/zinc/12/72/73/1313127273.db2.gz ZHKRALMXJHCSCE-OAHLLOKOSA-N 1 1 327.380 2.811 20 10 EFCDMO COc1cc(C[N@H+]2CC[C@@H](C(=O)c3ccccc3)C2)cc(O)c1O ZINC001204349958 1313127274 /nfs/dbraw/zinc/12/72/74/1313127274.db2.gz ZHKRALMXJHCSCE-OAHLLOKOSA-N 1 1 327.380 2.811 20 10 EFCDMO CCOC(=O)C[C@H]1CC[N@@H+](Cc2cc(O)c(O)c(OC)c2)C[C@H]1C ZINC001204350741 1313127566 /nfs/dbraw/zinc/12/75/66/1313127566.db2.gz IHNSEDIFPCBCRB-TZMCWYRMSA-N 1 1 337.416 2.518 20 10 EFCDMO COc1cc(C[N@@H+]2CCC[C@H](Oc3ccncc3)C2)cc(O)c1O ZINC001204350846 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20 10 EFCDMO COc1ccc2ccc(O)c(C[N@H+]3CCC[C@@]4(CCNC4=O)C3)c2c1 ZINC001234536465 1313149823 /nfs/dbraw/zinc/14/98/23/1313149823.db2.gz PASKVEGXMSCTGH-HXUWFJFHSA-N 1 1 340.423 2.656 20 10 EFCDMO CN1C(=O)C[C@@]2(CCC[N@@H+](Cc3cc(C(C)(C)C)ccc3O)C2)C1=O ZINC001274121459 1295481549 /nfs/dbraw/zinc/48/15/49/1295481549.db2.gz LJHUNADWQJHNLN-HXUWFJFHSA-N 1 1 344.455 2.661 20 10 EFCDMO CN1C(=O)C[C@]2(CCC[N@@H+](Cc3cc(C(C)(C)C)ccc3O)C2)C1=O ZINC001274121458 1295482062 /nfs/dbraw/zinc/48/20/62/1295482062.db2.gz LJHUNADWQJHNLN-FQEVSTJZSA-N 1 1 344.455 2.661 20 10 EFCDMO COc1ccc2ccc(O)c(C[N@H+]3CC[C@H](N(C)C(C)=O)C3)c2c1 ZINC001234569944 1313160518 /nfs/dbraw/zinc/16/05/18/1313160518.db2.gz UYTQQJNOSNCIJS-HNNXBMFYSA-N 1 1 328.412 2.607 20 10 EFCDMO CC[NH+]1CCN(c2ccc(O[C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)cc2)CC1 ZINC001234657822 1313179268 /nfs/dbraw/zinc/17/92/68/1313179268.db2.gz JETJYEVYHTYIOF-RUYXUALKSA-N 1 1 329.488 2.833 20 10 EFCDMO Cc1cc(C[N@@H+]2C[C@@H]3OCCN(C)[C@H]3C2)c(C)n1-c1ccccc1 ZINC001276362911 1295877292 /nfs/dbraw/zinc/87/72/92/1295877292.db2.gz NVWIQZNHZKVXDU-PMACEKPBSA-N 1 1 325.456 2.609 20 10 EFCDMO OCC1CCN(c2ccc(CN[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2)CC1 ZINC000305300261 1296078922 /nfs/dbraw/zinc/07/89/22/1296078922.db2.gz HKRVFBYVUVYWTR-TZIWHRDSSA-N 1 1 343.515 2.612 20 10 EFCDMO OCC1CCN(c2ccc(CN[C@@H]3CC[N@H+]4CCC[C@@H]4C3)cc2)CC1 ZINC000305300261 1296078927 /nfs/dbraw/zinc/07/89/27/1296078927.db2.gz HKRVFBYVUVYWTR-TZIWHRDSSA-N 1 1 343.515 2.612 20 10 EFCDMO c1c(CN2CCC[C@]3(CC[NH2+]C3)C2)cc2c3c1CCCN3CCC2 ZINC001234992385 1313219108 /nfs/dbraw/zinc/21/91/08/1313219108.db2.gz JAKLNVGWZICJMX-OAQYLSRUSA-N 1 1 325.500 2.961 20 10 EFCDMO c1c(CN2CCC[C@@]3(CC[NH2+]C3)C2)cc2c3c1CCCN3CCC2 ZINC001234992375 1313219141 /nfs/dbraw/zinc/21/91/41/1313219141.db2.gz JAKLNVGWZICJMX-NRFANRHFSA-N 1 1 325.500 2.961 20 10 EFCDMO Oc1ccc(-c2ccc(F)cc2)cc1CN1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001234974806 1313215333 /nfs/dbraw/zinc/21/53/33/1313215333.db2.gz MVFNCACDQHDICU-YLJYHZDGSA-N 1 1 342.414 2.619 20 10 EFCDMO Oc1c(Br)cc(Cl)cc1CN1CC[NH2+]CC12CC2 ZINC001234980973 1313216505 /nfs/dbraw/zinc/21/65/05/1313216505.db2.gz ZPPQKTNVLQMBSH-UHFFFAOYSA-N 1 1 331.641 2.746 20 10 EFCDMO COC(=O)[C@H]1C[N@@H+](Cc2cccc(-c3ccccc3)c2O)CCCO1 ZINC001234998895 1313219522 /nfs/dbraw/zinc/21/95/22/1313219522.db2.gz PIBQBDLEOQSSEH-GOSISDBHSA-N 1 1 341.407 2.823 20 10 EFCDMO Oc1c(Br)cc(Cl)cc1CN1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC001235016129 1313224656 /nfs/dbraw/zinc/22/46/56/1313224656.db2.gz CDPQCIMZUKIVAO-TVQRCGJNSA-N 1 1 345.668 2.992 20 10 EFCDMO COCCOCN[C@@]12CC[C@@]([NH2+]Cc3ccccc3O)(C1)CCC2 ZINC001275267597 1296246012 /nfs/dbraw/zinc/24/60/12/1296246012.db2.gz SLYVEPLXBZYZLK-MOPGFXCFSA-N 1 1 334.460 2.537 20 10 EFCDMO C[NH+](C)C[C@@]12C[C@@H]1CN(Cc1cc(Br)cc(F)c1O)C2 ZINC001235066826 1313234317 /nfs/dbraw/zinc/23/43/17/1313234317.db2.gz OHMTVNBKYHPWKE-IAQYHMDHSA-N 1 1 343.240 2.677 20 10 EFCDMO CCCCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cc(O)c(O)cc1O ZINC001273843694 1296282385 /nfs/dbraw/zinc/28/23/85/1296282385.db2.gz ULMRBVQHZVHSHC-LJQANCHMSA-N 1 1 348.443 2.561 20 10 EFCDMO CC[N@H+]1C[C@H]2CN(Cc3cc(Br)cc(F)c3O)C[C@H]2C1 ZINC001235074473 1313237473 /nfs/dbraw/zinc/23/74/73/1313237473.db2.gz HZVHDGZELNRIEQ-TXEJJXNPSA-N 1 1 343.240 2.677 20 10 EFCDMO CC[N@@H+]1C[C@H]2CN(Cc3cc(Br)cc(F)c3O)C[C@H]2C1 ZINC001235074473 1313237477 /nfs/dbraw/zinc/23/74/77/1313237477.db2.gz HZVHDGZELNRIEQ-TXEJJXNPSA-N 1 1 343.240 2.677 20 10 EFCDMO C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N2Cc1cccc(C(C)(C)C)c1O ZINC001275802755 1296413321 /nfs/dbraw/zinc/41/33/21/1296413321.db2.gz NHSRJRAJKFQKOX-CALCHBBNSA-N 1 1 331.504 2.510 20 10 EFCDMO C[C@@H]1CCN(Cc2c(O)cc(Br)cc2F)C[C@H]1C[NH3+] ZINC001205317416 1313269209 /nfs/dbraw/zinc/26/92/09/1313269209.db2.gz OYUZBSUNLOJSPM-NXEZZACHSA-N 1 1 331.229 2.711 20 10 EFCDMO C[NH+](C)[C@@H]1CCCN(Cc2cc(F)cc(Br)c2O)C1 ZINC001235302226 1313285708 /nfs/dbraw/zinc/28/57/08/1313285708.db2.gz NGFRJNTWFSVHIA-GFCCVEGCSA-N 1 1 331.229 2.820 20 10 EFCDMO Oc1c(Br)cc(F)cc1CN1CC([NH+]2CCCC2)C1 ZINC001235302515 1313285743 /nfs/dbraw/zinc/28/57/43/1313285743.db2.gz RESJMNANMSGBSK-UHFFFAOYSA-N 1 1 329.213 2.574 20 10 EFCDMO C[N@@H+]1CC[C@]2(CCN(Cc3cc(F)cc(Br)c3O)C2)C1 ZINC001235306921 1313286633 /nfs/dbraw/zinc/28/66/33/1313286633.db2.gz YXOMRAANDYBVDS-HNNXBMFYSA-N 1 1 343.240 2.821 20 10 EFCDMO C[N@H+]1CC[C@]2(CCN(Cc3cc(F)cc(Br)c3O)C2)C1 ZINC001235306921 1313286638 /nfs/dbraw/zinc/28/66/38/1313286638.db2.gz YXOMRAANDYBVDS-HNNXBMFYSA-N 1 1 343.240 2.821 20 10 EFCDMO COc1cc([C@H](C)[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)on1 ZINC000924796781 1296784461 /nfs/dbraw/zinc/78/44/61/1296784461.db2.gz WYSWBQRQICRVQK-KGLIPLIRSA-N 1 1 331.416 2.932 20 10 EFCDMO CCCCN(CCCC)c1ccc(C[N@@H+]2CCNC[C@@H]2CO)c(O)c1 ZINC001235444875 1313324055 /nfs/dbraw/zinc/32/40/55/1313324055.db2.gz OZMMOBIXKOSRQB-LJQANCHMSA-N 1 1 349.519 2.565 20 10 EFCDMO CCCCN(CCCC)c1ccc(C[N@H+]2CCNC[C@@H]2CO)c(O)c1 ZINC001235444875 1313324059 /nfs/dbraw/zinc/32/40/59/1313324059.db2.gz OZMMOBIXKOSRQB-LJQANCHMSA-N 1 1 349.519 2.565 20 10 EFCDMO COc1ccc2ccc(O)c(C[N@H+]3CC[C@@]4(CCN(C)C4=O)C3)c2c1 ZINC001273904717 1297066355 /nfs/dbraw/zinc/06/63/55/1297066355.db2.gz JMWWFAIXYKDPGF-FQEVSTJZSA-N 1 1 340.423 2.608 20 10 EFCDMO COc1ccc2ccc(O)c(CN3CCC(F)(F)[C@@H](C[NH3+])C3)c2c1 ZINC001205788673 1313356410 /nfs/dbraw/zinc/35/64/10/1313356410.db2.gz PQBBYNURGSLISD-ZDUSSCGKSA-N 1 1 336.382 2.970 20 10 EFCDMO C[C@@H](NC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1)c1ccc(N(C)C)cc1 ZINC000776245039 1297221381 /nfs/dbraw/zinc/22/13/81/1297221381.db2.gz HEDXREGZXQGAFO-CVEARBPZSA-N 1 1 332.492 2.797 20 10 EFCDMO C[C@H](NC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21)c1ccc(N(C)C)cc1 ZINC000776242602 1297242805 /nfs/dbraw/zinc/24/28/05/1297242805.db2.gz AAYDCSWTYWUNIR-IEZWGBDMSA-N 1 1 344.503 2.939 20 10 EFCDMO C[C@@H]1CC[C@@H](CN)[N@H+](Cc2cc3c4c(c2O)CCCN4CCC3)C1 ZINC001205819382 1313361165 /nfs/dbraw/zinc/36/11/65/1313361165.db2.gz XLKXNWKXHSLGLM-PBHICJAKSA-N 1 1 329.488 2.650 20 10 EFCDMO C[C@@H]1CC[C@@H](CN)[N@@H+](Cc2cc3c4c(c2O)CCCN4CCC3)C1 ZINC001205819382 1313361169 /nfs/dbraw/zinc/36/11/69/1313361169.db2.gz XLKXNWKXHSLGLM-PBHICJAKSA-N 1 1 329.488 2.650 20 10 EFCDMO C[C@@H]1CC[C@@H](C[NH3+])N(Cc2cc(Br)cc(F)c2O)C1 ZINC001205844049 1313365608 /nfs/dbraw/zinc/36/56/08/1313365608.db2.gz VMXOWOJBKLQQHQ-SKDRFNHKSA-N 1 1 331.229 2.853 20 10 EFCDMO COC[C@@H]1C[N@H+](Cc2ccc(C(C)(C)C)cc2O)Cc2nnn(C)c21 ZINC001235683845 1313373792 /nfs/dbraw/zinc/37/37/92/1313373792.db2.gz VVKJQUFFYPCYRC-AWEZNQCLSA-N 1 1 344.459 2.564 20 10 EFCDMO COC[C@@H]1C[N@@H+](Cc2ccc(C(C)(C)C)cc2O)Cc2nnn(C)c21 ZINC001235683845 1313373795 /nfs/dbraw/zinc/37/37/95/1313373795.db2.gz VVKJQUFFYPCYRC-AWEZNQCLSA-N 1 1 344.459 2.564 20 10 EFCDMO COc1ccc(F)cc1CNCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000778186127 1297508569 /nfs/dbraw/zinc/50/85/69/1297508569.db2.gz PHXLSPCFPPYQNW-UHFFFAOYSA-N 1 1 343.446 2.876 20 10 EFCDMO CN1CCOc2cc(C[N@@H+]3CCNC[C@@H]3Cc3ccccc3)ccc21 ZINC001235849024 1313409186 /nfs/dbraw/zinc/40/91/86/1313409186.db2.gz GHMFVPVOIUMRJD-IBGZPJMESA-N 1 1 337.467 2.532 20 10 EFCDMO CN1CCOc2cc(C[N@H+]3CCNC[C@@H]3Cc3ccccc3)ccc21 ZINC001235849024 1313409188 /nfs/dbraw/zinc/40/91/88/1313409188.db2.gz GHMFVPVOIUMRJD-IBGZPJMESA-N 1 1 337.467 2.532 20 10 EFCDMO CN1CCOc2cc(C[N@@H+]3CCNC[C@H]3Cc3ccccc3)ccc21 ZINC001235849025 1313409236 /nfs/dbraw/zinc/40/92/36/1313409236.db2.gz GHMFVPVOIUMRJD-LJQANCHMSA-N 1 1 337.467 2.532 20 10 EFCDMO CN1CCOc2cc(C[N@H+]3CCNC[C@H]3Cc3ccccc3)ccc21 ZINC001235849025 1313409240 /nfs/dbraw/zinc/40/92/40/1313409240.db2.gz GHMFVPVOIUMRJD-LJQANCHMSA-N 1 1 337.467 2.532 20 10 EFCDMO COc1cc(N(C)C)ccc1C[N@@H+]1CCN[C@@H](c2ccccc2)C1 ZINC001235855356 1313410513 /nfs/dbraw/zinc/41/05/13/1313410513.db2.gz NODNRPPBEGNFNB-LJQANCHMSA-N 1 1 325.456 2.908 20 10 EFCDMO COc1cc(N(C)C)ccc1C[N@H+]1CCN[C@@H](c2ccccc2)C1 ZINC001235855356 1313410516 /nfs/dbraw/zinc/41/05/16/1313410516.db2.gz NODNRPPBEGNFNB-LJQANCHMSA-N 1 1 325.456 2.908 20 10 EFCDMO COc1cc(C)c(C[N@H+]2CCNC[C@H]2Cc2ccccc2)c(O)c1 ZINC001235855563 1313410634 /nfs/dbraw/zinc/41/06/34/1313410634.db2.gz QQDYVZNECVOZLZ-QGZVFWFLSA-N 1 1 326.440 2.726 20 10 EFCDMO COc1cc(C)c(CN2CC[NH2+]C[C@H]2Cc2ccccc2)c(O)c1 ZINC001235855563 1313410635 /nfs/dbraw/zinc/41/06/35/1313410635.db2.gz QQDYVZNECVOZLZ-QGZVFWFLSA-N 1 1 326.440 2.726 20 10 EFCDMO CCOC(=O)c1ccc(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)nc1 ZINC001235871757 1313413300 /nfs/dbraw/zinc/41/33/00/1313413300.db2.gz FSAGOASDLSGICK-UHFFFAOYSA-N 1 1 342.395 2.618 20 10 EFCDMO CCOC(=O)c1ccc(C[N@H+]2CCCc3cc(O)c(O)cc3C2)nc1 ZINC001235871757 1313413301 /nfs/dbraw/zinc/41/33/01/1313413301.db2.gz FSAGOASDLSGICK-UHFFFAOYSA-N 1 1 342.395 2.618 20 10 EFCDMO CCN(Cc1cc(Br)c(F)cc1O)[C@H]1CCC[NH2+]C1 ZINC001236007458 1313430733 /nfs/dbraw/zinc/43/07/33/1313430733.db2.gz MTRXRKROJBBNAQ-NSHDSACASA-N 1 1 331.229 2.868 20 10 EFCDMO N[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(C(F)(F)F)cc2O)C1 ZINC001206243912 1313425166 /nfs/dbraw/zinc/42/51/66/1313425166.db2.gz HKBHRAAYPMSUNM-NSHDSACASA-N 1 1 328.256 2.877 20 10 EFCDMO Oc1c(Br)cc(F)cc1CN1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001236093547 1313440318 /nfs/dbraw/zinc/44/03/18/1313440318.db2.gz QYMBOITYVSIUCN-TXEJJXNPSA-N 1 1 329.213 2.620 20 10 EFCDMO [NH3+]C[C@@]1(F)CCCCN(Cc2cc(Br)cc(F)c2O)C1 ZINC001206369747 1313443183 /nfs/dbraw/zinc/44/31/83/1313443183.db2.gz HTBPRPFOQZPBCY-AWEZNQCLSA-N 1 1 349.219 2.947 20 10 EFCDMO CCCC[C@H]1CN(Cc2ccc(N3CCN(C)CC3)cc2F)CC[NH2+]1 ZINC001236141773 1313446402 /nfs/dbraw/zinc/44/64/02/1313446402.db2.gz MCVCBADWZFXOPP-SFHVURJKSA-N 1 1 348.510 2.542 20 10 EFCDMO [NH3+][C@H]1C[C@@H](F)CN(Cc2cc(Cl)cc(Br)c2O)C1 ZINC001206424359 1313451096 /nfs/dbraw/zinc/45/10/96/1313451096.db2.gz OSETZOJSUULYRJ-ZJUUUORDSA-N 1 1 337.620 2.679 20 10 EFCDMO [NH3+][C@H]1C[C@H](F)CN(Cc2cc(Cl)cc(Br)c2O)C1 ZINC001206424357 1313451315 /nfs/dbraw/zinc/45/13/15/1313451315.db2.gz OSETZOJSUULYRJ-UWVGGRQHSA-N 1 1 337.620 2.679 20 10 EFCDMO C[N@@H+](Cc1cc(Br)cc(F)c1[O-])[C@@H]1CCCC[C@H]1[NH3+] ZINC001236212951 1313456587 /nfs/dbraw/zinc/45/65/87/1313456587.db2.gz ANJBFNPYPJRPRK-CHWSQXEVSA-N 1 1 331.229 2.996 20 10 EFCDMO C[C@H]1C[N@@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC[C@@H]1O ZINC000779199943 1298051036 /nfs/dbraw/zinc/05/10/36/1298051036.db2.gz NHJXGVSTABDHFM-KSSFIOAISA-N 1 1 333.432 2.788 20 10 EFCDMO [O-]c1cccc(Br)c1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236320206 1313468473 /nfs/dbraw/zinc/46/84/73/1313468473.db2.gz MENKUEKNSVFLOQ-TXEJJXNPSA-N 1 1 325.250 2.586 20 10 EFCDMO [O-]c1cccc(Br)c1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236320206 1313468475 /nfs/dbraw/zinc/46/84/75/1313468475.db2.gz MENKUEKNSVFLOQ-TXEJJXNPSA-N 1 1 325.250 2.586 20 10 EFCDMO Cc1cc(Br)c([O-])c(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236321251 1313469009 /nfs/dbraw/zinc/46/90/09/1313469009.db2.gz OWAFEYTZRSIWPJ-BETUJISGSA-N 1 1 339.277 2.895 20 10 EFCDMO CC1(C)CC(NCc2ccc(N3CCOCC3)cc2)CC(C)(C)[NH2+]1 ZINC000078409715 1298271328 /nfs/dbraw/zinc/27/13/28/1298271328.db2.gz ZPVMIKBQXCSGHI-UHFFFAOYSA-N 1 1 331.504 2.922 20 10 EFCDMO CC(=O)N(C)[C@H]1CC[N@H+](Cc2cc(C)cc(Br)c2O)C1 ZINC001236668379 1313507044 /nfs/dbraw/zinc/50/70/44/1313507044.db2.gz ADSVNCRQOZWORG-ZDUSSCGKSA-N 1 1 341.249 2.516 20 10 EFCDMO CC(=O)N(C)[C@H]1CC[N@@H+](Cc2cc(C)cc(Br)c2O)C1 ZINC001236668379 1313507047 /nfs/dbraw/zinc/50/70/47/1313507047.db2.gz ADSVNCRQOZWORG-ZDUSSCGKSA-N 1 1 341.249 2.516 20 10 EFCDMO COc1cc(C[N@@H+]2CCCO[C@@H](C)C2)c(O)cc1Br ZINC001236745864 1313520788 /nfs/dbraw/zinc/52/07/88/1313520788.db2.gz SIJZRLHJSYKFPU-JTQLQIEISA-N 1 1 330.222 2.774 20 10 EFCDMO COc1cc(C[N@H+]2CCCO[C@@H](C)C2)c(O)cc1Br ZINC001236745864 1313520792 /nfs/dbraw/zinc/52/07/92/1313520792.db2.gz SIJZRLHJSYKFPU-JTQLQIEISA-N 1 1 330.222 2.774 20 10 EFCDMO COc1cc(C[N@H+]2CCC[C@@H](O)[C@@H](C)C2)c(O)cc1Br ZINC001236744706 1313520946 /nfs/dbraw/zinc/52/09/46/1313520946.db2.gz BVXCVOZGGQVSLO-GXFFZTMASA-N 1 1 344.249 2.756 20 10 EFCDMO COc1cc(C[N@@H+]2CCC[C@@H](OC)C2)c(O)cc1Br ZINC001236746303 1313521267 /nfs/dbraw/zinc/52/12/67/1313521267.db2.gz XCHQSCFYHJFRLG-LLVKDONJSA-N 1 1 330.222 2.774 20 10 EFCDMO COc1cc(C[N@H+]2CCC[C@@H](CCO)C2)c(O)cc1Br ZINC001236753546 1313522264 /nfs/dbraw/zinc/52/22/64/1313522264.db2.gz PNEWECMQZFROIY-NSHDSACASA-N 1 1 344.249 2.758 20 10 EFCDMO COc1cc(O)c(C[N@@H+](C)CCCC(=O)c2cccnc2)cc1OC ZINC001236752828 1313522396 /nfs/dbraw/zinc/52/23/96/1313522396.db2.gz WGDLYNGWPUMANF-UHFFFAOYSA-N 1 1 344.411 2.899 20 10 EFCDMO CCOC(=O)[C@]1(C)CCC[N@@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC001236757811 1313522930 /nfs/dbraw/zinc/52/29/30/1313522930.db2.gz PPRMVGUKKNFDRP-GOSISDBHSA-N 1 1 337.416 2.575 20 10 EFCDMO Oc1cc(C[N@@H+]2CC[C@]3(CCCO3)C2)c(O)cc1Br ZINC001236769595 1313524965 /nfs/dbraw/zinc/52/49/65/1313524965.db2.gz WTJIMOANAYSLPT-CQSZACIVSA-N 1 1 328.206 2.615 20 10 EFCDMO Oc1cc(C[N@H+]2CC[C@]3(CCCO3)C2)c(O)cc1Br ZINC001236769595 1313524968 /nfs/dbraw/zinc/52/49/68/1313524968.db2.gz WTJIMOANAYSLPT-CQSZACIVSA-N 1 1 328.206 2.615 20 10 EFCDMO COC(=O)[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1c(O)cc(OC)cc1Cl)C2 ZINC001236807473 1313533453 /nfs/dbraw/zinc/53/34/53/1313533453.db2.gz GYVJYIMPTSDWLD-SRVKXCTJSA-N 1 1 339.819 2.828 20 10 EFCDMO C[C@@H]1C[N@@H+](Cc2cc(O)c(Br)cc2O)CCC[C@@]1(C)O ZINC001236769575 1313525276 /nfs/dbraw/zinc/52/52/76/1313525276.db2.gz WEMWSPVQWOXAHA-MEBBXXQBSA-N 1 1 344.249 2.843 20 10 EFCDMO OC[C@]1(F)CCC[N@@H+](Cc2cc(O)c(Br)cc2O)CC1 ZINC001236769516 1313525370 /nfs/dbraw/zinc/52/53/70/1313525370.db2.gz VSQIUNVPENFFIZ-AWEZNQCLSA-N 1 1 348.212 2.547 20 10 EFCDMO COc1cc(O)c(C[N@H+]2CCC[C@H](Oc3cnccn3)C2)c(Cl)c1 ZINC001236806651 1313533480 /nfs/dbraw/zinc/53/34/80/1313533480.db2.gz YNLXQHLRRQQXEY-LBPRGKRZSA-N 1 1 349.818 2.888 20 10 EFCDMO CCc1ccc(C[NH+]2CCN(c3nccnc3Cl)CC2)c(O)c1 ZINC001236784592 1313528125 /nfs/dbraw/zinc/52/81/25/1313528125.db2.gz XAGNLTLJOQOFQX-UHFFFAOYSA-N 1 1 332.835 2.720 20 10 EFCDMO CCOC[C@H]1C[N@H+](Cc2ccc(CC)cc2O)Cc2ncn(C)c21 ZINC001236787572 1313529277 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CNC(=O)[C@@H]1Cc2ccccc2C[N@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001329499297 1330712459 /nfs/dbraw/zinc/71/24/59/1330712459.db2.gz RSKIKKNUYVBLJP-NRFANRHFSA-N 1 1 349.478 2.960 20 10 EFCDMO CN(CC[N@@H+](C)Cc1ccc(N2CCCC2)cc1)C1CC[NH+](C)CC1 ZINC001329771018 1330735199 /nfs/dbraw/zinc/73/51/99/1330735199.db2.gz MHKYFORKIYNTSK-UHFFFAOYSA-N 1 1 344.547 2.745 20 10 EFCDMO CCC[N@H+]1CC[C@@H](NC(=O)c2cc(C)n(-c3ccccn3)c2C)C1 ZINC001331414369 1330834567 /nfs/dbraw/zinc/83/45/67/1330834567.db2.gz UCJNAGKTFQWSFN-MRXNPFEDSA-N 1 1 326.444 2.703 20 10 EFCDMO CCCN(C(=O)NCc1ccc(N2CC=CC2)cc1)[C@@H]1CC[N@@H+](C)C1 ZINC001332086604 1330916311 /nfs/dbraw/zinc/91/63/11/1330916311.db2.gz BPSMXFHNPWRIPU-LJQANCHMSA-N 1 1 342.487 2.689 20 10 EFCDMO NC(=O)[C@]1(c2ccccc2)CC[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC001333718673 1331200558 /nfs/dbraw/zinc/20/05/58/1331200558.db2.gz JXUNKVUYMWJVLI-GOSISDBHSA-N 1 1 348.805 2.814 20 10 EFCDMO NC(=O)[C@]1(c2ccccc2)CC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC001333718673 1331200561 /nfs/dbraw/zinc/20/05/61/1331200561.db2.gz JXUNKVUYMWJVLI-GOSISDBHSA-N 1 1 348.805 2.814 20 10 EFCDMO COc1cc(OC)cc(N2CCC[N@@H+](Cc3ccc(N)cc3)CC2)c1 ZINC001334753618 1331300690 /nfs/dbraw/zinc/30/06/90/1331300690.db2.gz HLEORBSEFIQMPA-UHFFFAOYSA-N 1 1 341.455 2.998 20 10 EFCDMO Nc1ccc(CNC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)cc1 ZINC001335559627 1331373707 /nfs/dbraw/zinc/37/37/07/1331373707.db2.gz JNOGPZWBLSZKLH-SFHVURJKSA-N 1 1 330.476 2.865 20 10 EFCDMO Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)NCc3ccc(N)cc3)C2)cc1 ZINC001336160018 1331441113 /nfs/dbraw/zinc/44/11/13/1331441113.db2.gz QKYVWFIAVNBPNJ-LJQANCHMSA-N 1 1 338.455 2.651 20 10 EFCDMO CCC[C@H]1CN(Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CCO1 ZINC001337042868 1331530667 /nfs/dbraw/zinc/53/06/67/1331530667.db2.gz UIAKUKHVZJXXKE-KRWDZBQOSA-N 1 1 335.467 2.578 20 10 EFCDMO C[C@@H]([NH2+]Cc1ccccc1N1CCN(C)CC1)c1ccccc1O ZINC001337613491 1331587256 /nfs/dbraw/zinc/58/72/56/1331587256.db2.gz VOESTHSWTSAECJ-MRXNPFEDSA-N 1 1 325.456 2.995 20 10 EFCDMO C[C@@H](NC(=O)N1CCC[N@H+]2CCC[C@@H]2C1)c1ccc(N(C)C)cc1 ZINC001338359867 1331697957 /nfs/dbraw/zinc/69/79/57/1331697957.db2.gz XZUGVLUXWMZEBX-CRAIPNDOSA-N 1 1 330.476 2.693 20 10 EFCDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)NCc1ccc(N)cc1 ZINC001338580603 1331717864 /nfs/dbraw/zinc/71/78/64/1331717864.db2.gz AUPSQVBNZKDCRA-DNVCBOLYSA-N 1 1 338.455 2.589 20 10 EFCDMO C[C@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001338734679 1331731265 /nfs/dbraw/zinc/73/12/65/1331731265.db2.gz FDCFWCYZCZDPGM-GQIGUUNPSA-N 1 1 349.494 2.559 20 10 EFCDMO CCn1c(C2SC=CC2=O)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC001340903201 1332219232 /nfs/dbraw/zinc/21/92/32/1332219232.db2.gz NBNCOGSPLOGMMZ-VXGBXAGGSA-N 1 1 335.477 2.651 20 10 EFCDMO CCn1c(C2SC=CC2=O)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@H]1C ZINC001340903201 1332219234 /nfs/dbraw/zinc/21/92/34/1332219234.db2.gz NBNCOGSPLOGMMZ-VXGBXAGGSA-N 1 1 335.477 2.651 20 10 EFCDMO CC[C@@H]1CO[C@H](C)CN1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001341523430 1332264805 /nfs/dbraw/zinc/26/48/05/1332264805.db2.gz BFKPFFHVWVDNSB-NVXWUHKLSA-N 1 1 335.467 2.577 20 10 EFCDMO Cc1nn(CCO)c(C)c1C[N@@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC001341523249 1332264968 /nfs/dbraw/zinc/26/49/68/1332264968.db2.gz KSRNPIRHUKLTMR-UHFFFAOYSA-N 1 1 344.503 2.969 20 10 EFCDMO COC(=O)C[C@H]1CSCC[N@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001341569625 1332268636 /nfs/dbraw/zinc/26/86/36/1332268636.db2.gz RQKYCKSGFTUKIA-KRWDZBQOSA-N 1 1 334.485 2.767 20 10 EFCDMO Fc1cc(C[N@H+]2CC[C@@H]3OCCC[C@H]3C2)ccc1N1CCOCC1 ZINC001341567789 1332268683 /nfs/dbraw/zinc/26/86/83/1332268683.db2.gz LFPNVVKWFDXLQF-LPHOPBHVSA-N 1 1 334.435 2.663 20 10 EFCDMO COc1ccc(C[NH2+]Cc2nnc(C(C)(C)C)s2)c(O)c1OC ZINC001343003558 1332338989 /nfs/dbraw/zinc/33/89/89/1332338989.db2.gz WWBYVDPETXRCIJ-UHFFFAOYSA-N 1 1 337.445 2.848 20 10 EFCDMO COC(=O)C[N@H+](Cc1ccc(N2CCC(OC)CC2)cc1)CC(C)C ZINC001344125296 1332404031 /nfs/dbraw/zinc/40/40/31/1332404031.db2.gz SATVKHVPOXTETK-UHFFFAOYSA-N 1 1 348.487 2.933 20 10 EFCDMO COC(=O)C[N@@H+](Cc1ccc(N2CCC(OC)CC2)cc1)CC(C)C ZINC001344125296 1332404033 /nfs/dbraw/zinc/40/40/33/1332404033.db2.gz SATVKHVPOXTETK-UHFFFAOYSA-N 1 1 348.487 2.933 20 10 EFCDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)NCc2ccc(N)cc2)C1 ZINC001346739084 1332680699 /nfs/dbraw/zinc/68/06/99/1332680699.db2.gz MTZIUAGOWHZGQT-LJQANCHMSA-N 1 1 338.455 2.685 20 10 EFCDMO C[C@H]1C[C@@H]1c1nnc(NCc2ccc(N3CC[NH+](C)CC3)c(F)c2)o1 ZINC001348524510 1332845077 /nfs/dbraw/zinc/84/50/77/1332845077.db2.gz FBTRCUDPCKYLHT-JSGCOSHPSA-N 1 1 345.422 2.696 20 10 EFCDMO COc1ccc(CNC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(O)c1 ZINC000848022657 1334167645 /nfs/dbraw/zinc/16/76/45/1334167645.db2.gz GJHSLTLQHHFGKR-KRWDZBQOSA-N 1 1 340.423 2.539 20 10 EFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCN3CCCC[C@@H]23)c1 ZINC000848569004 1334798400 /nfs/dbraw/zinc/79/84/00/1334798400.db2.gz UUGZRWXQXPOPRZ-XKQJLSEDSA-N 1 1 332.444 2.846 20 10 EFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H]2CCCN3CCCC[C@@H]23)c1 ZINC000848569002 1334798426 /nfs/dbraw/zinc/79/84/26/1334798426.db2.gz UUGZRWXQXPOPRZ-JQFCIGGWSA-N 1 1 332.444 2.846 20 10 EFCDMO CCc1cccc(C[N@@H+](C)C[C@H](O)COCc2ccccc2)c1O ZINC000848883511 1334959329 /nfs/dbraw/zinc/95/93/29/1334959329.db2.gz OZUFDCMMUKWMHO-IBGZPJMESA-N 1 1 329.440 2.964 20 10 EFCDMO CCc1cccc(C[N@H+]2CCC[C@@H](CNC(=O)C(F)(F)F)C2)c1O ZINC000848913314 1334982026 /nfs/dbraw/zinc/98/20/26/1334982026.db2.gz UBDVXMDUFIRNTJ-LBPRGKRZSA-N 1 1 344.377 2.845 20 10 EFCDMO CC1(C)C(=O)N[C@@H]1C1CC[NH+](Cc2c(O)ccc(Cl)c2F)CC1 ZINC000848920472 1334986851 /nfs/dbraw/zinc/98/68/51/1334986851.db2.gz HHKBTYNPFPGENJ-OAHLLOKOSA-N 1 1 340.826 2.921 20 10 EFCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000848930057 1334994787 /nfs/dbraw/zinc/99/47/87/1334994787.db2.gz NECCZDVQOOAXSE-IBGZPJMESA-N 1 1 331.504 2.748 20 10 EFCDMO NC(=O)N=Nc1ccc(C(=O)NC[C@@H]2CCCCC[N@@H+]2CCF)cc1 ZINC000969158522 712943959 /nfs/dbraw/zinc/94/39/59/712943959.db2.gz MZXLBLMYBQHTNL-HNNXBMFYSA-N 1 1 349.410 2.793 20 10 EFCDMO NC(=O)N=Nc1ccc(C(=O)NC[C@@H]2CCCCC[N@H+]2CCF)cc1 ZINC000969158522 712943961 /nfs/dbraw/zinc/94/39/61/712943961.db2.gz MZXLBLMYBQHTNL-HNNXBMFYSA-N 1 1 349.410 2.793 20 10 EFCDMO CC[N@H+]1CCCCC[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000969158892 712944318 /nfs/dbraw/zinc/94/43/18/712944318.db2.gz UVMRTKNWGODKAE-HNNXBMFYSA-N 1 1 331.420 2.843 20 10 EFCDMO CC(C)CCO[C@@H]1CC[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000177385225 713725379 /nfs/dbraw/zinc/72/53/79/713725379.db2.gz ZKYAZYWBMDSKGP-LJQANCHMSA-N 1 1 347.503 2.506 20 10 EFCDMO CC(C)CCO[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000177385225 713725381 /nfs/dbraw/zinc/72/53/81/713725381.db2.gz ZKYAZYWBMDSKGP-LJQANCHMSA-N 1 1 347.503 2.506 20 10 EFCDMO COc1cc(C[NH+]2CCN([C@@H](C)C(F)(F)F)CC2)c(O)cc1C ZINC000160360711 714020658 /nfs/dbraw/zinc/02/06/58/714020658.db2.gz XJYOLOSSBVXQCD-LBPRGKRZSA-N 1 1 332.366 2.778 20 10 EFCDMO COc1ccc(N2CCC[N@@H+](CCCc3cnn(C)c3)CC2)cc1 ZINC000054337619 714258576 /nfs/dbraw/zinc/25/85/76/714258576.db2.gz CHHRWZZHIONPJP-UHFFFAOYSA-N 1 1 328.460 2.574 20 10 EFCDMO CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001021740039 714403891 /nfs/dbraw/zinc/40/38/91/714403891.db2.gz QKEGQRRLOHPLEV-ZBFHGGJFSA-N 1 1 343.431 2.795 20 10 EFCDMO CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccc(N=NC(N)=O)cc3)C[C@@H]2C1 ZINC000980251900 717981148 /nfs/dbraw/zinc/98/11/48/717981148.db2.gz HBLAPUNQLLBRFE-SQWLQELKSA-N 1 1 343.431 2.699 20 10 EFCDMO COc1ccc(C[N@@H+](C)[C@@H](CCO)c2ccccc2)c(O)c1OC ZINC000892053387 715235663 /nfs/dbraw/zinc/23/56/63/715235663.db2.gz VLGVYFAJVTWVSH-INIZCTEOSA-N 1 1 331.412 2.965 20 10 EFCDMO C[C@@H](NCCC(C)(C)[NH3+])c1ccc(N2CCOCC2)cc1Cl ZINC000925740839 716202513 /nfs/dbraw/zinc/20/25/13/716202513.db2.gz LYUKHKYMJWZHQF-CYBMUJFWSA-N 1 1 325.884 2.955 20 10 EFCDMO CC(C)C[N@H+]1C[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C(C)(C)C1 ZINC000977648953 716440412 /nfs/dbraw/zinc/44/04/12/716440412.db2.gz BLUMBOTVGKZBIN-OAHLLOKOSA-N 1 1 345.447 2.945 20 10 EFCDMO CC(C)[N@H+]1C[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C(C)(C)C1 ZINC000977665739 716462553 /nfs/dbraw/zinc/46/25/53/716462553.db2.gz YOQNYUNNDQPLHQ-AWEZNQCLSA-N 1 1 331.420 2.698 20 10 EFCDMO CS(=O)(=O)C[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1ccccc1 ZINC000893614878 717672646 /nfs/dbraw/zinc/67/26/46/717672646.db2.gz VJCIZYUZORJGNV-GOSISDBHSA-N 1 1 345.464 2.887 20 10 EFCDMO COc1cccc(C(=O)N2CC[NH+](Cc3cc(C)ccc3O)CC2)c1 ZINC000159228058 717737789 /nfs/dbraw/zinc/73/77/89/717737789.db2.gz DKWZZHZYHFGORY-UHFFFAOYSA-N 1 1 340.423 2.667 20 10 EFCDMO COc1ccc(C[NH2+]C[C@H]2CCCCN2C(=O)c2ccn[nH]2)cc1C ZINC001024881974 718203290 /nfs/dbraw/zinc/20/32/90/718203290.db2.gz XIJWNYMPTFTUQF-MRXNPFEDSA-N 1 1 342.443 2.511 20 10 EFCDMO COC(=O)[C@@]1(F)CC[N@H+](Cc2cc(OC)cc(C(C)(C)C)c2O)C1 ZINC000164441128 718418930 /nfs/dbraw/zinc/41/89/30/718418930.db2.gz NKALIZVUGZIFGV-GOSISDBHSA-N 1 1 339.407 2.785 20 10 EFCDMO COC(=O)[C@@]1(F)CC[N@@H+](Cc2cc(OC)cc(C(C)(C)C)c2O)C1 ZINC000164441128 718418931 /nfs/dbraw/zinc/41/89/31/718418931.db2.gz NKALIZVUGZIFGV-GOSISDBHSA-N 1 1 339.407 2.785 20 10 EFCDMO C[C@H](NC[C@H](C1CC1)[NH+](C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000166229467 718605216 /nfs/dbraw/zinc/60/52/16/718605216.db2.gz DRKDEOIMPDPKST-IFXJQAMLSA-N 1 1 335.467 2.653 20 10 EFCDMO C[C@H](NC[C@@H](C1CC1)[NH+](C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000166229231 718605361 /nfs/dbraw/zinc/60/53/61/718605361.db2.gz DRKDEOIMPDPKST-LIRRHRJNSA-N 1 1 335.467 2.653 20 10 EFCDMO CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000935946787 718764330 /nfs/dbraw/zinc/76/43/30/718764330.db2.gz OEGVHOQCFASHHK-MJBXVCDLSA-N 1 1 325.449 2.755 20 10 EFCDMO CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000935946787 718764332 /nfs/dbraw/zinc/76/43/32/718764332.db2.gz OEGVHOQCFASHHK-MJBXVCDLSA-N 1 1 325.449 2.755 20 10 EFCDMO COc1ccc(C[N@H+]2CCSC3(CCOCC3)C2)c(O)c1OC ZINC000893659806 719194385 /nfs/dbraw/zinc/19/43/85/719194385.db2.gz KEFMQXDBTYCZMB-UHFFFAOYSA-N 1 1 339.457 2.507 20 10 EFCDMO C[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)[C@H]1CCC[N@@H+](CCF)C1 ZINC001025631698 719259584 /nfs/dbraw/zinc/25/95/84/719259584.db2.gz DEWAMEIJKZATSX-JSGCOSHPSA-N 1 1 349.410 2.649 20 10 EFCDMO C[C@H](NC(=O)Cc1ccc(N)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261562197 719630509 /nfs/dbraw/zinc/63/05/09/719630509.db2.gz GJEOIQYJJSSLPI-QFBILLFUSA-N 1 1 337.467 2.838 20 10 EFCDMO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)c2nnnn2-c2ccccc2)c1 ZINC000182389401 720123678 /nfs/dbraw/zinc/12/36/78/720123678.db2.gz QALNLHQSKQKXRP-QWHCGFSZSA-N 1 1 339.399 2.788 20 10 EFCDMO COc1ccc(C[N@H+]2CCC[C@](OC)(C(F)(F)F)C2)c(O)c1OC ZINC000893876770 720137613 /nfs/dbraw/zinc/13/76/13/720137613.db2.gz XIXKIDRMLLCPKR-OAHLLOKOSA-N 1 1 349.349 2.953 20 10 EFCDMO O=C(C1CC[NH+](Cc2cc(F)cc(F)c2O)CC1)N1CCCCC1 ZINC000893902628 720146961 /nfs/dbraw/zinc/14/69/61/720146961.db2.gz JRHZPHBVQABXQL-UHFFFAOYSA-N 1 1 338.398 2.895 20 10 EFCDMO CC(C)N(C)C(=O)C1CC[NH+](Cc2cc(F)cc(F)c2O)CC1 ZINC000893961428 720175099 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COc1cc(C)cc(C[NH2+]C2CCN([C@@H]3CCCC[C@@H]3O)CC2)c1O ZINC000894331118 722105484 /nfs/dbraw/zinc/10/54/84/722105484.db2.gz BRVPAMODXQQUFB-MSOLQXFVSA-N 1 1 348.487 2.567 20 10 EFCDMO COc1cc(C)cc(CNC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c1O ZINC000894331118 722105485 /nfs/dbraw/zinc/10/54/85/722105485.db2.gz BRVPAMODXQQUFB-MSOLQXFVSA-N 1 1 348.487 2.567 20 10 EFCDMO CC(C)=CC[N@H+]1CC[C@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001029014346 722640289 /nfs/dbraw/zinc/64/02/89/722640289.db2.gz WWCWJVNCMAOZFL-CQSZACIVSA-N 1 1 343.431 2.867 20 10 EFCDMO CCCC[N@H+]1CC[C@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001029014279 722641736 /nfs/dbraw/zinc/64/17/36/722641736.db2.gz UFFBBLHFANFAQR-CYBMUJFWSA-N 1 1 331.420 2.701 20 10 EFCDMO COc1cc(C)cc(C[N@H+]2CCN(C(=O)C3CC3)CC2(C)C)c1O ZINC000894466708 722747381 /nfs/dbraw/zinc/74/73/81/722747381.db2.gz LAHDJVHZHXXGQU-UHFFFAOYSA-N 1 1 332.444 2.542 20 10 EFCDMO COc1ccc(C[N@H+]2CC3(CCOCC3)[C@H]2C2CC2)c(O)c1OC ZINC000894632476 722803315 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CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC[C@@H]2c2ccc[nH]2)cc1 ZINC000298343600 241147947 /nfs/dbraw/zinc/14/79/47/241147947.db2.gz DZBZTRBTDWRBKH-GOSISDBHSA-N 1 1 326.444 2.534 20 10 EFCDMO CN(C)c1ccc(CNC(=O)C[N@H+]2CCC[C@@H]2c2ccc[nH]2)cc1 ZINC000298343600 241147956 /nfs/dbraw/zinc/14/79/56/241147956.db2.gz DZBZTRBTDWRBKH-GOSISDBHSA-N 1 1 326.444 2.534 20 10 EFCDMO CC[N@@H+](CC(=O)NCc1ccc(N(C)C)cc1)[C@H]1CCOC(C)(C)C1 ZINC000298692777 241155591 /nfs/dbraw/zinc/15/55/91/241155591.db2.gz ZOARWDZQIQIWLR-SFHVURJKSA-N 1 1 347.503 2.648 20 10 EFCDMO CCN(Cc1ccc(N(C)C)cc1)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000297542919 241124284 /nfs/dbraw/zinc/12/42/84/241124284.db2.gz OXFVEHRVCNKCHD-JLYLLQBASA-N 1 1 344.503 2.909 20 10 EFCDMO Cc1cc(Br)cc(C[N@H+](C)[C@H]2CCCCNC2=O)c1O ZINC000367728225 242390296 /nfs/dbraw/zinc/39/02/96/242390296.db2.gz UYOLFOBNGLLYGS-ZDUSSCGKSA-N 1 1 341.249 2.564 20 10 EFCDMO COc1ccc(N2CC[NH+](C[C@@H](O)c3ccc(F)c(F)c3)CC2)cc1 ZINC000051092673 132179823 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CC(C)[N@@H+](CCS(C)(=O)=O)Cc1ccc(N2CCCCC2)cc1 ZINC000093707623 544556360 /nfs/dbraw/zinc/55/63/60/544556360.db2.gz PYTLWUHSSUATGP-UHFFFAOYSA-N 1 1 338.517 2.932 20 10 EFCDMO COc1cccc(C[N@H+]2CC[C@@H](C(=O)N(C)c3ccccc3)C2)c1O ZINC000281266889 278010949 /nfs/dbraw/zinc/01/09/49/278010949.db2.gz YHQNVBZMXRTMNS-MRXNPFEDSA-N 1 1 340.423 2.886 20 10 EFCDMO C[C@H]([NH2+]Cc1cccc(OCC(=O)N(C)C)c1)c1ccc(F)cc1O ZINC000185063650 278266629 /nfs/dbraw/zinc/26/66/29/278266629.db2.gz WMRYRAGWAYVZBY-ZDUSSCGKSA-N 1 1 346.402 2.849 20 10 EFCDMO COc1cc([N+](=O)[O-])c(N2CC[N@H+](C3CCC3)C[C@H](C)C2)cc1OC ZINC000292288026 295027167 /nfs/dbraw/zinc/02/71/67/295027167.db2.gz MVBBLGAGDYRYCR-ZDUSSCGKSA-N 1 1 349.431 2.923 20 10 EFCDMO CCCC[N@@H+](CC(N)=O)Cc1cc(Br)cc(C)c1O ZINC000124551261 473261356 /nfs/dbraw/zinc/26/13/56/473261356.db2.gz NBYZCZZNLBWUGV-UHFFFAOYSA-N 1 1 329.238 2.551 20 10 EFCDMO C[C@H]([NH2+]CCCN1CCN(C)CC1)c1cc2c(cc1O)CCCC2 ZINC000184900154 473267519 /nfs/dbraw/zinc/26/75/19/473267519.db2.gz 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2.788 20 10 EFCDMO CCN(CC)c1ccc(C[N@@H+](C)[C@@H](C)CS(=O)(=O)CC)cc1 ZINC000093417406 473106656 /nfs/dbraw/zinc/10/66/56/473106656.db2.gz LOTZNXXTUFOFRK-HNNXBMFYSA-N 1 1 326.506 2.788 20 10 EFCDMO COc1ccccc1CNC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1O ZINC000109773022 473119350 /nfs/dbraw/zinc/11/93/50/473119350.db2.gz AZKAEUOUKJJQPD-AWEZNQCLSA-N 1 1 328.412 2.538 20 10 EFCDMO CCOc1cccc(CNC(=O)C[N@@H+](C)Cc2ccccc2O)c1 ZINC000109773203 473120216 /nfs/dbraw/zinc/12/02/16/473120216.db2.gz QAZOGIOJXNJRTL-UHFFFAOYSA-N 1 1 328.412 2.539 20 10 EFCDMO CCS(=O)(=O)CC[N@H+](C)Cc1cc(-c2ccccc2)ccc1O ZINC000093643340 473128485 /nfs/dbraw/zinc/12/84/85/473128485.db2.gz IJDZDEKWWRFKQQ-UHFFFAOYSA-N 1 1 333.453 2.926 20 10 EFCDMO CCS(=O)(=O)CC[N@@H+](C)Cc1cc(-c2ccccc2)ccc1O ZINC000093643340 473128492 /nfs/dbraw/zinc/12/84/92/473128492.db2.gz IJDZDEKWWRFKQQ-UHFFFAOYSA-N 1 1 333.453 2.926 20 10 EFCDMO CCC[N@@H+](Cc1ccccc1O)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000109836011 473128774 /nfs/dbraw/zinc/12/87/74/473128774.db2.gz HOIYQEGHYMLMGF-CYBMUJFWSA-N 1 1 330.350 2.767 20 10 EFCDMO CCOc1ccc(O)c(C[NH+]2CCN(c3ncccc3F)CC2)c1 ZINC000093687643 473134122 /nfs/dbraw/zinc/13/41/22/473134122.db2.gz UICPGMABYWOAGC-UHFFFAOYSA-N 1 1 331.391 2.647 20 10 EFCDMO CC[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1cc2c(cc1O)OCO2 ZINC000093688167 473135447 /nfs/dbraw/zinc/13/54/47/473135447.db2.gz HZPIHUCFHOANQD-MRXNPFEDSA-N 1 1 329.396 2.894 20 10 EFCDMO C[C@@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@@H+](C)Cc1ccccc1O ZINC000111235635 473197688 /nfs/dbraw/zinc/19/76/88/473197688.db2.gz VJPQWCXKQHAQJE-WMLDXEAASA-N 1 1 340.423 2.853 20 10 EFCDMO COc1ccc(Cl)cc1CNC(=O)C[N@@H+](C)Cc1ccccc1O ZINC000111235989 473197731 /nfs/dbraw/zinc/19/77/31/473197731.db2.gz OZIHZXLEQUGJDH-UHFFFAOYSA-N 1 1 348.830 2.802 20 10 EFCDMO Cc1cccc(OCCNC(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2O)c1 ZINC000111236083 473198036 /nfs/dbraw/zinc/19/80/36/473198036.db2.gz DIVHZMHYLHCOCE-MRXNPFEDSA-N 1 1 342.439 2.716 20 10 EFCDMO Oc1ccccc1C[N@@H+](C[C@H](O)Cc1ccccc1)C[C@@H]1CCCO1 ZINC000111232938 473198190 /nfs/dbraw/zinc/19/81/90/473198190.db2.gz NIHWEDKGRSLJJJ-UXHICEINSA-N 1 1 341.451 2.977 20 10 EFCDMO CCOCc1ccccc1CNC(=O)C[N@@H+](C)Cc1ccccc1O ZINC000111235205 473198505 /nfs/dbraw/zinc/19/85/05/473198505.db2.gz KIGUSFOHFLEKEC-UHFFFAOYSA-N 1 1 342.439 2.677 20 10 EFCDMO CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])CC1 ZINC000185344939 473401232 /nfs/dbraw/zinc/40/12/32/473401232.db2.gz CZLMUFGOVUOHET-CABCVRRESA-N 1 1 339.911 2.970 20 10 EFCDMO C[C@H](CN1CCN(C)CC1)[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000185392448 473414887 /nfs/dbraw/zinc/41/48/87/473414887.db2.gz MXVLQJVZBSXBOG-CVEARBPZSA-N 1 1 327.472 2.832 20 10 EFCDMO C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1cc(Cl)ccc1[O-] ZINC000185414282 473420473 /nfs/dbraw/zinc/42/04/73/473420473.db2.gz XRVGJXHHXROGRG-UKRRQHHQSA-N 1 1 326.868 2.933 20 10 EFCDMO C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cc(Cl)ccc1[O-] ZINC000185414282 473420476 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COc1c(O)c(C[NH2+]C[C@](C)(O)C2CCCCC2)ccc1[N+](=O)[O-] ZINC000278440488 474645488 /nfs/dbraw/zinc/64/54/88/474645488.db2.gz VUKCXZPDGRQINW-KRWDZBQOSA-N 1 1 338.404 2.730 20 10 EFCDMO COc1c(O)c(C[NH2+]C[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)ccc1[N+](=O)[O-] ZINC000278461375 474650675 /nfs/dbraw/zinc/65/06/75/474650675.db2.gz FADPNHLMIYVUOG-UXLLHSPISA-N 1 1 340.379 2.985 20 10 EFCDMO COc1c(O)c(C[NH2+]CC2([C@H](C)CCO)CCC2)ccc1[N+](=O)[O-] ZINC000278474178 474654503 /nfs/dbraw/zinc/65/45/03/474654503.db2.gz IAJLHHHNLUJCTQ-GFCCVEGCSA-N 1 1 338.404 2.587 20 10 EFCDMO COc1cc(F)cc(C[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)c1 ZINC000278498244 474663746 /nfs/dbraw/zinc/66/37/46/474663746.db2.gz NFMMEXNGHPFMKB-UHFFFAOYSA-N 1 1 336.319 2.747 20 10 EFCDMO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)C12CCC2 ZINC000278524546 474681275 /nfs/dbraw/zinc/68/12/75/474681275.db2.gz SWGPXIITPYNHCU-ZIAGYGMSSA-N 1 1 336.388 2.746 20 10 EFCDMO COc1cc(C)ccc1C[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278545711 474693692 /nfs/dbraw/zinc/69/36/92/474693692.db2.gz YEXLIFGFXGZZAH-UHFFFAOYSA-N 1 1 332.356 2.916 20 10 EFCDMO COc1c(O)c(C[NH2+]C[C@H](C)c2c(C)noc2C)ccc1[N+](=O)[O-] ZINC000278550271 474697294 /nfs/dbraw/zinc/69/72/94/474697294.db2.gz YXSREIJMVNLCCG-VIFPVBQESA-N 1 1 335.360 2.807 20 10 EFCDMO CC[N@H+](CC(=O)N(C)Cc1ccc(N(C)C)cc1)Cc1ccncc1 ZINC000267916159 474706629 /nfs/dbraw/zinc/70/66/29/474706629.db2.gz PGNGCSOUTLBOAW-UHFFFAOYSA-N 1 1 340.471 2.628 20 10 EFCDMO CC[N@@H+](CC(=O)N(C)Cc1ccc(N(C)C)cc1)Cc1ccncc1 ZINC000267916159 474706638 /nfs/dbraw/zinc/70/66/38/474706638.db2.gz PGNGCSOUTLBOAW-UHFFFAOYSA-N 1 1 340.471 2.628 20 10 EFCDMO CCCC[N@H+](Cc1ccccc1O)C[C@@H](O)COCC(F)(F)F ZINC000292986221 474751474 /nfs/dbraw/zinc/75/14/74/474751474.db2.gz ROKSKRUGNNTULN-CQSZACIVSA-N 1 1 335.366 2.934 20 10 EFCDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000268143351 474825324 /nfs/dbraw/zinc/82/53/24/474825324.db2.gz KXZLKAFZKCVQDX-UGSOOPFHSA-N 1 1 343.471 2.553 20 10 EFCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCCn2nc(C)cc2C)c1 ZINC000273303015 474833457 /nfs/dbraw/zinc/83/34/57/474833457.db2.gz BYYNQUZQKSMBNU-CQSZACIVSA-N 1 1 331.416 2.733 20 10 EFCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@]2(O)CCc3ccccc32)c1 ZINC000273355819 474856251 /nfs/dbraw/zinc/85/62/51/474856251.db2.gz CRASDUCXKZBZSD-ZUOKHONESA-N 1 1 341.407 2.663 20 10 EFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@]2(O)CCc3ccccc32)c1 ZINC000273355816 474856734 /nfs/dbraw/zinc/85/67/34/474856734.db2.gz CRASDUCXKZBZSD-RBZFPXEDSA-N 1 1 341.407 2.663 20 10 EFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@H](O)c2ccc(OC)cc2)c1 ZINC000273363650 474860271 /nfs/dbraw/zinc/86/02/71/474860271.db2.gz DJUKUSJUFHSYBM-SGTLLEGYSA-N 1 1 345.395 2.572 20 10 EFCDMO C[C@H]([NH2+]C[C@H](O)c1cnn(C)c1)c1cc(Cl)c(Cl)cc1O ZINC000278854491 474874942 /nfs/dbraw/zinc/87/49/42/474874942.db2.gz VWBPPOBUJNKCQN-RTHLEPHNSA-N 1 1 330.215 2.817 20 10 EFCDMO C[C@H]([NH2+]C[C@@H](O)c1cnn(C)c1)c1cc(Cl)c(Cl)cc1O ZINC000278854489 474875196 /nfs/dbraw/zinc/87/51/96/474875196.db2.gz VWBPPOBUJNKCQN-RMLUDKJBSA-N 1 1 330.215 2.817 20 10 EFCDMO COc1cc(C[NH2+][C@H](C)c2ccc(F)cc2O)ccc1OCCO ZINC000273404501 474881210 /nfs/dbraw/zinc/88/12/10/474881210.db2.gz OEBGYVGZGPUJNJ-GFCCVEGCSA-N 1 1 335.375 2.762 20 10 EFCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)c2ccc(F)cc2)c1 ZINC000273420991 474890810 /nfs/dbraw/zinc/89/08/10/474890810.db2.gz SBAKYVIVOCQBAX-DIFFPNOSSA-N 1 1 333.359 2.702 20 10 EFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@H](O)c2ccc(F)cc2)c1 ZINC000273420995 474890952 /nfs/dbraw/zinc/89/09/52/474890952.db2.gz SBAKYVIVOCQBAX-GTNSWQLSSA-N 1 1 333.359 2.702 20 10 EFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)CCc2ccccc2)c1 ZINC000273427813 474892753 /nfs/dbraw/zinc/89/27/53/474892753.db2.gz KMDOVKXJKIOATL-YOEHRIQHSA-N 1 1 343.423 2.823 20 10 EFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)c1 ZINC000273443438 474899650 /nfs/dbraw/zinc/89/96/50/474899650.db2.gz DQESYLWVRWRDBU-LBPRGKRZSA-N 1 1 344.367 2.980 20 10 EFCDMO C[C@@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C1=O)c1ccc(F)cc1O ZINC000273447708 474902059 /nfs/dbraw/zinc/90/20/59/474902059.db2.gz FIGXDRDUIGAHAS-CXAGYDPISA-N 1 1 328.387 2.983 20 10 EFCDMO C[C@@H]([NH2+][C@H]1CCN(Cc2ccccc2)C1=O)c1ccc(F)cc1O ZINC000273447709 474902114 /nfs/dbraw/zinc/90/21/14/474902114.db2.gz FIGXDRDUIGAHAS-DYVFJYSZSA-N 1 1 328.387 2.983 20 10 EFCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCC(=O)Nc2ccccc2)c1 ZINC000273586131 474976666 /nfs/dbraw/zinc/97/66/66/474976666.db2.gz NVACZELUVQTHQI-CYBMUJFWSA-N 1 1 342.395 2.858 20 10 EFCDMO C[C@@H]1C[N@H+](Cc2cc(Br)ccc2O)C[C@@]2(CCOC2)O1 ZINC000279625274 474983182 /nfs/dbraw/zinc/98/31/82/474983182.db2.gz ABFHENVOVGAUJU-IAQYHMDHSA-N 1 1 342.233 2.535 20 10 EFCDMO C[C@@H]1C[N@@H+](Cc2cc(Br)ccc2O)C[C@@]2(CCOC2)O1 ZINC000279625274 474983191 /nfs/dbraw/zinc/98/31/91/474983191.db2.gz ABFHENVOVGAUJU-IAQYHMDHSA-N 1 1 342.233 2.535 20 10 EFCDMO CSC[C@H]1CCC[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000292362019 474983205 /nfs/dbraw/zinc/98/32/05/474983205.db2.gz IHHYPSDQMKGLDV-KRWDZBQOSA-N 1 1 349.544 2.786 20 10 EFCDMO C[C@H]1C[N@H+](Cc2cc(Br)ccc2O)C[C@]2(CCOC2)O1 ZINC000279625279 474983916 /nfs/dbraw/zinc/98/39/16/474983916.db2.gz ABFHENVOVGAUJU-NHYWBVRUSA-N 1 1 342.233 2.535 20 10 EFCDMO C[C@H]1C[N@@H+](Cc2cc(Br)ccc2O)C[C@]2(CCOC2)O1 ZINC000279625279 474983921 /nfs/dbraw/zinc/98/39/21/474983921.db2.gz ABFHENVOVGAUJU-NHYWBVRUSA-N 1 1 342.233 2.535 20 10 EFCDMO O=C(NC1CC1)N[C@H]1CC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000273600287 474984497 /nfs/dbraw/zinc/98/44/97/474984497.db2.gz JFRCBBNLJSNRFH-HNNXBMFYSA-N 1 1 325.412 2.581 20 10 EFCDMO C[C@H](NC(=O)c1cccc(O)c1O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000279789553 474991045 /nfs/dbraw/zinc/99/10/45/474991045.db2.gz IMCVXJLWYRDKKJ-GOEBONIOSA-N 1 1 340.423 2.738 20 10 EFCDMO CC(=O)c1cc(F)cc(C[N@H+](C)[C@H](CC(N)=O)c2ccccc2)c1O ZINC000280329992 475019645 /nfs/dbraw/zinc/01/96/45/475019645.db2.gz HPHHCDXIDOAXGS-QGZVFWFLSA-N 1 1 344.386 2.782 20 10 EFCDMO COc1coc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)cc1=O ZINC000268514578 475025413 /nfs/dbraw/zinc/02/54/13/475025413.db2.gz DFAFSJMIJCHLGS-HNNXBMFYSA-N 1 1 345.395 2.535 20 10 EFCDMO COc1coc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)cc1=O ZINC000268514578 475025421 /nfs/dbraw/zinc/02/54/21/475025421.db2.gz DFAFSJMIJCHLGS-HNNXBMFYSA-N 1 1 345.395 2.535 20 10 EFCDMO COc1cc(Cl)cc(C[N@H+]2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)c1O ZINC000280468042 475027565 /nfs/dbraw/zinc/02/75/65/475027565.db2.gz MWCOMKGABZNXCW-NVGCLXPQSA-N 1 1 341.835 2.823 20 10 EFCDMO COc1cc(Cl)cc(C[N@H+]2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)c1O ZINC000280468061 475027986 /nfs/dbraw/zinc/02/79/86/475027986.db2.gz MWCOMKGABZNXCW-XWCIJXRUSA-N 1 1 341.835 2.823 20 10 EFCDMO CCOC1CC(C[N@H+](CC(=O)OC)Cc2cc(Cl)ccc2O)C1 ZINC000285604028 475032934 /nfs/dbraw/zinc/03/29/34/475032934.db2.gz LQYHEJJZHUEBLQ-UHFFFAOYSA-N 1 1 341.835 2.836 20 10 EFCDMO CCOC1CC(C[N@@H+](CC(=O)OC)Cc2cc(Cl)ccc2O)C1 ZINC000285604028 475032938 /nfs/dbraw/zinc/03/29/38/475032938.db2.gz LQYHEJJZHUEBLQ-UHFFFAOYSA-N 1 1 341.835 2.836 20 10 EFCDMO Cc1cc(C[NH+]2CCC(CN3CCOCC3)CC2)ccc1N(C)C ZINC000293551409 475035313 /nfs/dbraw/zinc/03/53/13/475035313.db2.gz RFQHCDKOMBAMJT-UHFFFAOYSA-N 1 1 331.504 2.605 20 10 EFCDMO Cc1noc(CCC[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)n1 ZINC000268623457 475037653 /nfs/dbraw/zinc/03/76/53/475037653.db2.gz BXFGPNRTZDCRBC-INIZCTEOSA-N 1 1 331.416 2.697 20 10 EFCDMO CC(C)(C)[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000293814319 475053300 /nfs/dbraw/zinc/05/33/00/475053300.db2.gz FKSINAKRKLEBFF-IUODEOHRSA-N 1 1 328.815 2.968 20 10 EFCDMO Cc1cc(C(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)c(C)n1-c1ccccn1 ZINC000293907996 475058307 /nfs/dbraw/zinc/05/83/07/475058307.db2.gz FTEKPKFVUGYBEB-GASCZTMLSA-N 1 1 326.444 2.654 20 10 EFCDMO Cc1cc(C[NH2+][C@@H](CS(C)(=O)=O)c2ccccc2)ccc1N(C)C ZINC000294629049 475077423 /nfs/dbraw/zinc/07/74/23/475077423.db2.gz PFENLJOLRASREM-SFHVURJKSA-N 1 1 346.496 2.937 20 10 EFCDMO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)c1O ZINC000286740370 475077794 /nfs/dbraw/zinc/07/77/94/475077794.db2.gz YDPOBTHTLYSKOS-BXUZGUMPSA-N 1 1 349.324 2.727 20 10 EFCDMO CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)c1O ZINC000286740370 475077802 /nfs/dbraw/zinc/07/78/02/475077802.db2.gz YDPOBTHTLYSKOS-BXUZGUMPSA-N 1 1 349.324 2.727 20 10 EFCDMO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c1O ZINC000286740380 475078034 /nfs/dbraw/zinc/07/80/34/475078034.db2.gz YDPOBTHTLYSKOS-RISCZKNCSA-N 1 1 349.324 2.727 20 10 EFCDMO CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c1O ZINC000286740380 475078038 /nfs/dbraw/zinc/07/80/38/475078038.db2.gz YDPOBTHTLYSKOS-RISCZKNCSA-N 1 1 349.324 2.727 20 10 EFCDMO COC(=O)C[C@H]1CCC[N@@H+]1Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000294855499 475086301 /nfs/dbraw/zinc/08/63/01/475086301.db2.gz BMSWCYBMYHCZPH-GOSISDBHSA-N 1 1 346.471 2.829 20 10 EFCDMO CC[C@H]([NH2+][C@H]1CCCN(c2ccnn2C)C1)c1ccc(F)cc1O ZINC000286949569 475087001 /nfs/dbraw/zinc/08/70/01/475087001.db2.gz BMARZXCOXCPSAS-HOCLYGCPSA-N 1 1 332.423 2.975 20 10 EFCDMO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000294855504 475087591 /nfs/dbraw/zinc/08/75/91/475087591.db2.gz BMSWCYBMYHCZPH-SFHVURJKSA-N 1 1 346.471 2.829 20 10 EFCDMO COc1cc([N+](=O)[O-])c(N2CC[N@H+](C3CC3)C[C@@H](C)C2)cc1OC ZINC000294957936 475094257 /nfs/dbraw/zinc/09/42/57/475094257.db2.gz NBZFRZXFYFQPQD-GFCCVEGCSA-N 1 1 335.404 2.533 20 10 EFCDMO CN(C)c1ccc(C[N@@H+](C[C@@H](O)COCC(F)(F)F)C2CC2)cc1 ZINC000292576321 475096257 /nfs/dbraw/zinc/09/62/57/475096257.db2.gz ZBUWWVMHIVJRKU-MRXNPFEDSA-N 1 1 346.393 2.657 20 10 EFCDMO CC[N@H+]1CCN(Cc2ccc(N3CCC(OC)CC3)cc2)[C@H](C)C1 ZINC000295384254 475123072 /nfs/dbraw/zinc/12/30/72/475123072.db2.gz UGSOUSMHVKXEIQ-QGZVFWFLSA-N 1 1 331.504 2.828 20 10 EFCDMO CCN1CC[N@H+](Cc2ccc(N3CCC(OC)CC3)cc2)[C@H](C)C1 ZINC000295384254 475123082 /nfs/dbraw/zinc/12/30/82/475123082.db2.gz UGSOUSMHVKXEIQ-QGZVFWFLSA-N 1 1 331.504 2.828 20 10 EFCDMO CCN1CC[N@@H+](Cc2ccc(N3CCC(OC)CC3)cc2)[C@H](C)C1 ZINC000295384254 475123090 /nfs/dbraw/zinc/12/30/90/475123090.db2.gz UGSOUSMHVKXEIQ-QGZVFWFLSA-N 1 1 331.504 2.828 20 10 EFCDMO COc1c(O)c(C[NH2+][C@H](C(C)C)C2(CO)CCC2)ccc1[N+](=O)[O-] ZINC000292706034 475161109 /nfs/dbraw/zinc/16/11/09/475161109.db2.gz CWPMHDBKUYHQSG-MRXNPFEDSA-N 1 1 338.404 2.586 20 10 EFCDMO O=C1N[C@H]2CC[N@@H+](Cc3ccc(N4CCCCC4)cc3)C[C@@H]2CO1 ZINC000281360882 475185511 /nfs/dbraw/zinc/18/55/11/475185511.db2.gz UWSYDAKANGSQBX-AEFFLSMTSA-N 1 1 329.444 2.607 20 10 EFCDMO Cc1c2ccccc2n(C)c1CNC(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000349702869 475987993 /nfs/dbraw/zinc/98/79/93/475987993.db2.gz NMTZYTDETNGJFO-ZFWWWQNUSA-N 1 1 340.471 2.911 20 10 EFCDMO Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000349805343 476005024 /nfs/dbraw/zinc/00/50/24/476005024.db2.gz VITNARZIPHNIRX-HNNXBMFYSA-N 1 1 340.471 2.936 20 10 EFCDMO CC[N@H+]1CCCN(C(=O)NCc2c(C)c3ccccc3n2C)CC1 ZINC000350030356 476035370 /nfs/dbraw/zinc/03/53/70/476035370.db2.gz BLBUQUMBTOUXJZ-UHFFFAOYSA-N 1 1 328.460 2.724 20 10 EFCDMO COc1ccc(N2CCC[N@@H+](CCOCC(F)(F)F)CC2)cc1 ZINC000363436831 476384522 /nfs/dbraw/zinc/38/45/22/476384522.db2.gz PXDQKHPKWJCIOF-UHFFFAOYSA-N 1 1 332.366 2.786 20 10 EFCDMO C[C@H]([NH2+][C@@H]1CCN(c2ccccc2C(N)=O)C1)c1ccc(F)cc1O ZINC000373255052 476389756 /nfs/dbraw/zinc/38/97/56/476389756.db2.gz IBGPRTVUVMFTSS-GXTWGEPZSA-N 1 1 343.402 2.560 20 10 EFCDMO Cc1cc(Br)cc(C[N@H+]2CC[C@](O)(C3CC3)C2)c1O ZINC000373325154 476393005 /nfs/dbraw/zinc/39/30/05/476393005.db2.gz SDPDIUMSIIIXKT-OAHLLOKOSA-N 1 1 326.234 2.810 20 10 EFCDMO c1cc(N2CCOCC2)ccc1C[N@@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000373535663 476413832 /nfs/dbraw/zinc/41/38/32/476413832.db2.gz RUMCKZFEIZSFQV-HXUWFJFHSA-N 1 1 330.472 2.914 20 10 EFCDMO Cc1cccc(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)c1O ZINC000373832288 476431685 /nfs/dbraw/zinc/43/16/85/476431685.db2.gz RLUAFRZHTGQYGO-UXHICEINSA-N 1 1 338.451 2.786 20 10 EFCDMO O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000373932635 476441385 /nfs/dbraw/zinc/44/13/85/476441385.db2.gz IPPPNGTULCZYJP-MJGOQNOKSA-N 1 1 342.487 2.713 20 10 EFCDMO O=C(NCc1ccc(N2CCCC2)cc1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000373932633 476441883 /nfs/dbraw/zinc/44/18/83/476441883.db2.gz IPPPNGTULCZYJP-HKUYNNGSSA-N 1 1 342.487 2.713 20 10 EFCDMO CN(Cc1ccccc1O)C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000374349133 476473212 /nfs/dbraw/zinc/47/32/12/476473212.db2.gz AMGQHSJSPKFRHO-KRWDZBQOSA-N 1 1 325.412 2.720 20 10 EFCDMO CN(Cc1ccccc1O)C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000374349133 476473215 /nfs/dbraw/zinc/47/32/15/476473215.db2.gz AMGQHSJSPKFRHO-KRWDZBQOSA-N 1 1 325.412 2.720 20 10 EFCDMO C[C@@H]1C[C@@H](N2CCCC2)C[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000377690320 476522576 /nfs/dbraw/zinc/52/25/76/476522576.db2.gz FZQFDCJVAJBLOL-YLJYHZDGSA-N 1 1 329.488 2.582 20 10 EFCDMO C[C@@H]1C[C@@H](N2CCCC2)C[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000377690320 476522584 /nfs/dbraw/zinc/52/25/84/476522584.db2.gz FZQFDCJVAJBLOL-YLJYHZDGSA-N 1 1 329.488 2.582 20 10 EFCDMO Cc1c2ccccc2n(C)c1CN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423081378 476920709 /nfs/dbraw/zinc/92/07/09/476920709.db2.gz BMQHYYCRSVKDPP-OKZBNKHCSA-N 1 1 327.472 2.733 20 10 EFCDMO COc1c(O)c(C[NH2+]C[C@@]2(C)CCO[C@@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000375734902 476977499 /nfs/dbraw/zinc/97/74/99/476977499.db2.gz YBCHYZPXDUSCQH-IAGOWNOFSA-N 1 1 336.388 2.604 20 10 EFCDMO COc1cc(O)c(C[N@H+]2CCC[C@@H]2c2cn(C)nc2C)cc1OC ZINC000371360433 477265016 /nfs/dbraw/zinc/26/50/16/477265016.db2.gz GPYLBTYFJSHOMA-OAHLLOKOSA-N 1 1 331.416 2.788 20 10 EFCDMO Oc1ccc(Cl)cc1C[NH+]1CCC(CCN2CCOCC2)CC1 ZINC000371416633 477307097 /nfs/dbraw/zinc/30/70/97/477307097.db2.gz MVDFSKJGKYTUFC-UHFFFAOYSA-N 1 1 338.879 2.980 20 10 EFCDMO c1cc(N2CCOCC2)ccc1C[N@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000377246301 477708247 /nfs/dbraw/zinc/70/82/47/477708247.db2.gz SJSPDNQTCVQLKB-LJQANCHMSA-N 1 1 330.472 2.772 20 10 EFCDMO C[C@@H]1CC(=O)NCC[N@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC000368136414 477787601 /nfs/dbraw/zinc/78/76/01/477787601.db2.gz UWTCJVUHCFIFGT-OAHLLOKOSA-N 1 1 340.423 2.682 20 10 EFCDMO COc1ccc(N2CCC[N@@H+](CCCn3ccnc3C)CC2)cc1 ZINC000372739636 477811147 /nfs/dbraw/zinc/81/11/47/477811147.db2.gz JFHPCZNFDWPASG-UHFFFAOYSA-N 1 1 328.460 2.803 20 10 EFCDMO Cc1c2ccccc2n(C)c1CNC(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000471688138 478007762 /nfs/dbraw/zinc/00/77/62/478007762.db2.gz LQXCRUYNFCIFKV-FUHWJXTLSA-N 1 1 340.471 2.913 20 10 EFCDMO Cc1c2ccccc2n(C)c1CNC(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000471896256 478010955 /nfs/dbraw/zinc/01/09/55/478010955.db2.gz DAZSAQFRYVNOEL-AWEZNQCLSA-N 1 1 326.444 2.523 20 10 EFCDMO Cc1c2ccccc2n(C)c1CNC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000472221618 478013422 /nfs/dbraw/zinc/01/34/22/478013422.db2.gz IARCNDSIKAQKIX-WMLDXEAASA-N 1 1 342.487 2.968 20 10 EFCDMO Cc1c2ccccc2n(C)c1CNC(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000472231531 478013488 /nfs/dbraw/zinc/01/34/88/478013488.db2.gz HHVPXMNXBOAETE-MRXNPFEDSA-N 1 1 340.471 2.866 20 10 EFCDMO OC[C@]1([NH2+]Cc2c(O)ccc(Cl)c2F)COc2ccccc2C1 ZINC000527769279 478510656 /nfs/dbraw/zinc/51/06/56/478510656.db2.gz LBSRMEFIWDOQRG-KRWDZBQOSA-N 1 1 337.778 2.641 20 10 EFCDMO COc1ccc(O)c(C[N@@H+]2CCOC[C@H]2C[C@H](O)c2ccccc2)c1 ZINC000180743050 534201464 /nfs/dbraw/zinc/20/14/64/534201464.db2.gz YEKAOKOLNSZGTH-XLIONFOSSA-N 1 1 343.423 2.725 20 10 EFCDMO COc1ccc(O)c(C[N@H+]2CCOC[C@H]2C[C@H](O)c2ccccc2)c1 ZINC000180743050 534201470 /nfs/dbraw/zinc/20/14/70/534201470.db2.gz YEKAOKOLNSZGTH-XLIONFOSSA-N 1 1 343.423 2.725 20 10 EFCDMO COc1ccc(O)c([C@@H](C)[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)c1 ZINC000185491844 534202679 /nfs/dbraw/zinc/20/26/79/534202679.db2.gz WKWDLRJFTDYQGI-CABCVRRESA-N 1 1 334.460 2.552 20 10 EFCDMO COc1c(O)c(C[NH2+][C@H](C)Cc2ccc(O)cc2)ccc1[N+](=O)[O-] ZINC000278568422 518127307 /nfs/dbraw/zinc/12/73/07/518127307.db2.gz CMDPUQFFRVMFHX-LLVKDONJSA-N 1 1 332.356 2.735 20 10 EFCDMO Cc1ncsc1CC[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000172522682 534797002 /nfs/dbraw/zinc/79/70/02/534797002.db2.gz KFVYQCUDXAXOFK-UHFFFAOYSA-N 1 1 331.485 2.963 20 10 EFCDMO COc1ccc(OC)c2c1C[N@H+](Cc1ccc(N(C)C)cc1)C[C@H]2O ZINC000299198594 524922803 /nfs/dbraw/zinc/92/28/03/524922803.db2.gz RHNMRGXDOVMFRD-QGZVFWFLSA-N 1 1 342.439 2.819 20 10 EFCDMO COc1ccc(OC)c2c1C[N@@H+](Cc1ccc(N(C)C)cc1)C[C@H]2O ZINC000299198594 524922813 /nfs/dbraw/zinc/92/28/13/524922813.db2.gz RHNMRGXDOVMFRD-QGZVFWFLSA-N 1 1 342.439 2.819 20 10 EFCDMO CCCC[N@H+](Cc1ccc(N(C)C)c(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000160766811 528442056 /nfs/dbraw/zinc/44/20/56/528442056.db2.gz XNYGIOXOLWSBQQ-HNNXBMFYSA-N 1 1 342.480 2.681 20 10 EFCDMO CCCC[N@@H+](Cc1ccc(N(C)C)c(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000160766811 528442061 /nfs/dbraw/zinc/44/20/61/528442061.db2.gz XNYGIOXOLWSBQQ-HNNXBMFYSA-N 1 1 342.480 2.681 20 10 EFCDMO CCOc1ccc(O)c(C[N@@H+]2CCSC[C@@H]2c2cnn(C)c2)c1 ZINC000191747903 535752560 /nfs/dbraw/zinc/75/25/60/535752560.db2.gz TWJLEOHOGJYYRO-MRXNPFEDSA-N 1 1 333.457 2.815 20 10 EFCDMO CCOc1ccc(O)c(C[N@H+]2CCSC[C@@H]2c2cnn(C)c2)c1 ZINC000191747903 535752564 /nfs/dbraw/zinc/75/25/64/535752564.db2.gz TWJLEOHOGJYYRO-MRXNPFEDSA-N 1 1 333.457 2.815 20 10 EFCDMO COC1CCN(c2ccc(C[N@H+]3CCC[C@@](F)(CO)C3)cc2)CC1 ZINC000296030588 536756530 /nfs/dbraw/zinc/75/65/30/536756530.db2.gz RXUGQRPFBDVACC-IBGZPJMESA-N 1 1 336.451 2.598 20 10 EFCDMO COc1cc(O)c(C[N@H+]2CC[C@@H](n3cc(Cl)cn3)C2)cc1OC ZINC000290929662 536856830 /nfs/dbraw/zinc/85/68/30/536856830.db2.gz OUUHQXOSTVEMQJ-CYBMUJFWSA-N 1 1 337.807 2.706 20 10 EFCDMO COc1c(O)c(C[N@@H+]2CC[C@@H](C3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000365799827 536861164 /nfs/dbraw/zinc/86/11/64/536861164.db2.gz XTRRORLICXNPJC-CYBMUJFWSA-N 1 1 336.388 2.558 20 10 EFCDMO COc1c(O)c(C[N@H+]2CC[C@@H](C3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000365799827 536861171 /nfs/dbraw/zinc/86/11/71/536861171.db2.gz XTRRORLICXNPJC-CYBMUJFWSA-N 1 1 336.388 2.558 20 10 EFCDMO COc1ccc(N2CC[NH+](Cc3ccnc(N(C)C)c3)CC2)cc1F ZINC000754051528 575380843 /nfs/dbraw/zinc/38/08/43/575380843.db2.gz QUTHNKQBSOCTSZ-UHFFFAOYSA-N 1 1 344.434 2.618 20 10 EFCDMO Cc1cc(C(=O)CN2CC[NH+](C)CC2)c(C)n1-c1cccc(C)c1 ZINC000754643462 575465018 /nfs/dbraw/zinc/46/50/18/575465018.db2.gz YXTIEPCZCNLXDU-UHFFFAOYSA-N 1 1 325.456 2.833 20 10 EFCDMO Oc1ccccc1C[N@H+](C[C@@H](O)COC1CCOCC1)C1CCCC1 ZINC000755943247 575660702 /nfs/dbraw/zinc/66/07/02/575660702.db2.gz GPAAUFHPEZFKDW-GOSISDBHSA-N 1 1 349.471 2.693 20 10 EFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCOc2ccc(OC)cc2)c1 ZINC000756360369 575722893 /nfs/dbraw/zinc/72/28/93/575722893.db2.gz SACAKRVIMPKXIU-ZDUSSCGKSA-N 1 1 345.395 2.917 20 10 EFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCOc2ccccc2OC)c1 ZINC000756369128 575724886 /nfs/dbraw/zinc/72/48/86/575724886.db2.gz AKASYBLPJDZYHR-ZDUSSCGKSA-N 1 1 345.395 2.917 20 10 EFCDMO CC(C)[C@@H](C[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F)N1CCN(C)CC1 ZINC000756398125 575730723 /nfs/dbraw/zinc/73/07/23/575730723.db2.gz BTLJORIXIJSWDI-HYVNUMGLSA-N 1 1 349.494 2.941 20 10 EFCDMO C[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1cc(Cl)ccc1[O-] ZINC000756408490 575732649 /nfs/dbraw/zinc/73/26/49/575732649.db2.gz OPBKNMBFXQZAQA-CQSZACIVSA-N 1 1 325.884 2.724 20 10 EFCDMO C[C@@H]([NH2+][C@@H]1CCCc2c1cnn2CCO)c1cc(F)cc(F)c1O ZINC000756460585 575743035 /nfs/dbraw/zinc/74/30/35/575743035.db2.gz SFSZVHSIIBNPJK-MEBBXXQBSA-N 1 1 337.370 2.587 20 10 EFCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCN2Cc3ccccc3C2)c1 ZINC000756477586 575745704 /nfs/dbraw/zinc/74/57/04/575745704.db2.gz BOUKCFCJSSQEGR-CQSZACIVSA-N 1 1 340.423 2.845 20 10 EFCDMO C[C@H]([NH2+]Cc1nnnn1-c1ccccc1)c1cc(Cl)ccc1O ZINC000756490772 575747937 /nfs/dbraw/zinc/74/79/37/575747937.db2.gz SHOVDMBPSJOVMX-NSHDSACASA-N 1 1 329.791 2.872 20 10 EFCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@H]2COc3ccccc3C2)c1 ZINC000756495327 575748858 /nfs/dbraw/zinc/74/88/58/575748858.db2.gz QBONKPMJILIRQE-IUODEOHRSA-N 1 1 327.380 2.833 20 10 EFCDMO C[C@H]1C[C@H]([NH2+]CCCN2CCC[N@@H+](C)CC2)c2c1c(F)ccc2O ZINC000756548150 575759228 /nfs/dbraw/zinc/75/92/28/575759228.db2.gz IYMJZLBFUSCJMS-HOCLYGCPSA-N 1 1 335.467 2.697 20 10 EFCDMO C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cc(F)cc(F)c1[O-] ZINC000756562761 575762801 /nfs/dbraw/zinc/76/28/01/575762801.db2.gz KJQXMMHWFLLCRI-GXTWGEPZSA-N 1 1 328.403 2.558 20 10 EFCDMO C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756571776 575764465 /nfs/dbraw/zinc/76/44/65/575764465.db2.gz FESCTDJQPBXBIR-XJKSGUPXSA-N 1 1 349.431 2.594 20 10 EFCDMO C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1cc(F)cc(F)c1[O-] ZINC000756572628 575764513 /nfs/dbraw/zinc/76/45/13/575764513.db2.gz HBQMCAKXOWSHRI-WFASDCNBSA-N 1 1 340.414 2.964 20 10 EFCDMO C[C@@H]([NH2+]CC1(C(=O)N(C)C)CCCC1)c1cc(F)cc(F)c1O ZINC000756577034 575765024 /nfs/dbraw/zinc/76/50/24/575765024.db2.gz XJVTTWOHDQLJTD-LLVKDONJSA-N 1 1 326.387 2.970 20 10 EFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H](CO)c2ccccc2C)c1 ZINC000756635690 575771149 /nfs/dbraw/zinc/77/11/49/575771149.db2.gz GZQWPGKKBJNNIQ-SUMWQHHRSA-N 1 1 329.396 2.871 20 10 EFCDMO C[C@H]([NH2+]CCn1cccn1)c1cc(Br)c(F)cc1O ZINC000756686586 575776870 /nfs/dbraw/zinc/77/68/70/575776870.db2.gz SGAREQNHUGBVRX-VIFPVBQESA-N 1 1 328.185 2.841 20 10 EFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H](CO)c2ccc(F)cc2)c1 ZINC000756711085 575779514 /nfs/dbraw/zinc/77/95/14/575779514.db2.gz IGYCKRFCMFHETK-MEDUHNTESA-N 1 1 333.359 2.702 20 10 EFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H](CO)c2ccc(F)cc2)c1 ZINC000756711086 575779856 /nfs/dbraw/zinc/77/98/56/575779856.db2.gz IGYCKRFCMFHETK-ZBEGNZNMSA-N 1 1 333.359 2.702 20 10 EFCDMO C[C@H]([NH2+][C@@H]1CCC[C@H](S(C)(=O)=O)C1)c1cc(F)cc(F)c1O ZINC000756738105 575782750 /nfs/dbraw/zinc/78/27/50/575782750.db2.gz JHFMEOIJJVARCQ-WCQGTBRESA-N 1 1 333.400 2.677 20 10 EFCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2ccc([S@](C)=O)cc2)c1 ZINC000756738947 575782844 /nfs/dbraw/zinc/78/28/44/575782844.db2.gz IJKDPDHFRYWTSX-YYUOZPCZSA-N 1 1 347.436 2.767 20 10 EFCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)c2cccc(C)c2)c1 ZINC000756757958 575784218 /nfs/dbraw/zinc/78/42/18/575784218.db2.gz FAINEEAMRFHGNK-FZKQIMNGSA-N 1 1 329.396 2.871 20 10 EFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H](C)[C@@H](O)Cc2ccccc2)c1 ZINC000756762490 575784826 /nfs/dbraw/zinc/78/48/26/575784826.db2.gz UMYOOVRBHQACEL-KSMMKXTCSA-N 1 1 343.423 2.822 20 10 EFCDMO C[C@H]([NH2+]Cc1ccc2c(c1)C(=O)NCC2)c1cc(F)cc(F)c1O ZINC000757660271 575848357 /nfs/dbraw/zinc/84/83/57/575848357.db2.gz DKLSTMSCIOFFRA-JTQLQIEISA-N 1 1 332.350 2.807 20 10 EFCDMO O=C(NCCCSc1nccs1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000759554106 575899886 /nfs/dbraw/zinc/89/98/86/575899886.db2.gz JFPOWLHFYUFIMS-STQMWFEESA-N 1 1 340.518 2.551 20 10 EFCDMO O=C(NCCCSc1nccs1)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000759561156 575900872 /nfs/dbraw/zinc/90/08/72/575900872.db2.gz CSIRFYNGGAOBSO-CHWSQXEVSA-N 1 1 340.518 2.551 20 10 EFCDMO C[C@@H]([NH2+][C@@H](CO)CC(F)F)c1cc(Br)c(F)cc1O ZINC000760035633 575974326 /nfs/dbraw/zinc/97/43/26/575974326.db2.gz BZFNYFKKDQKHTJ-RNFRBKRXSA-N 1 1 342.155 2.961 20 10 EFCDMO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000760886643 576085239 /nfs/dbraw/zinc/08/52/39/576085239.db2.gz CIGOCNJPQWYLIB-GOSISDBHSA-N 1 1 349.544 2.927 20 10 EFCDMO C[N@@H+](Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)CC1(O)CCC1 ZINC000761219399 576131524 /nfs/dbraw/zinc/13/15/24/576131524.db2.gz PLMRSMJWELAQAE-UHFFFAOYSA-N 1 1 333.432 2.932 20 10 EFCDMO CN(C)c1ccc(C[N@@H+](CCCNC(=O)C(F)(F)F)C2CC2)cc1 ZINC000763186153 576366069 /nfs/dbraw/zinc/36/60/69/576366069.db2.gz LWUJHGKLTKZNFB-UHFFFAOYSA-N 1 1 343.393 2.786 20 10 EFCDMO C[C@@H](NCC[NH+]1CCCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000764617527 576480281 /nfs/dbraw/zinc/48/02/81/576480281.db2.gz CTKWARYGPVEWJM-OAHLLOKOSA-N 1 1 337.895 2.923 20 10 EFCDMO COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)c1 ZINC000764850050 576511727 /nfs/dbraw/zinc/51/17/27/576511727.db2.gz JZVDLKXYHVRQIX-HIFRSBDPSA-N 1 1 347.459 2.778 20 10 EFCDMO C[C@H](N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(N2CCOCC2)cc1 ZINC000765039234 576539740 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C[C@@H]([NH2+]Cc1ncc(Cl)n1C)c1ccc(N2CCOCC2)cc1 ZINC000765626456 577060598 /nfs/dbraw/zinc/06/05/98/577060598.db2.gz IFISFBLZKMZOEM-CYBMUJFWSA-N 1 1 334.851 2.761 20 10 EFCDMO CC[N@H+]1C[C@H](C)N(C(=O)NCc2ccc(N3CCCC3)cc2)C[C@H]1C ZINC000765660976 577063766 /nfs/dbraw/zinc/06/37/66/577063766.db2.gz WQBIKBXXXUKJMH-SJORKVTESA-N 1 1 344.503 2.911 20 10 EFCDMO C[C@@H](NCC[N@@H+]1CC[C@H](C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000766383305 577142841 /nfs/dbraw/zinc/14/28/41/577142841.db2.gz ROXQQIFMINANIS-JKSUJKDBSA-N 1 1 335.467 2.655 20 10 EFCDMO C[C@@H](NCC[N@H+]1CC[C@H](C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000766383305 577142845 /nfs/dbraw/zinc/14/28/45/577142845.db2.gz ROXQQIFMINANIS-JKSUJKDBSA-N 1 1 335.467 2.655 20 10 EFCDMO CN1CCN(c2ccc(C[NH2+]C[C@]3(C)CCO[C@H]3C3CC3)cc2)CC1 ZINC000767194207 577199445 /nfs/dbraw/zinc/19/94/45/577199445.db2.gz ASTYSYROZNTKCU-SFTDATJTSA-N 1 1 343.515 2.733 20 10 EFCDMO CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000725848924 577248804 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CCOc1ccc(C[N@@H+](C)Cc2cc3c(cc2O)OC[C@H]3O)cc1 ZINC000768437986 577273432 /nfs/dbraw/zinc/27/34/32/577273432.db2.gz MQWFCGYCFJPASD-GOSISDBHSA-N 1 1 329.396 2.849 20 10 EFCDMO C[C@@H](C(=O)NCc1ccc2c(c1)CCCN2C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000725893719 577273610 /nfs/dbraw/zinc/27/36/10/577273610.db2.gz SXQCGZRVFUOMFF-XHSDSOJGSA-N 1 1 329.488 2.947 20 10 EFCDMO COc1ccccc1C[N@@H+](Cc1cc2c(cc1O)OC[C@@H]2O)C1CC1 ZINC000768440134 577273832 /nfs/dbraw/zinc/27/38/32/577273832.db2.gz OIYDFGOBGBSOSY-SFHVURJKSA-N 1 1 341.407 2.991 20 10 EFCDMO COc1ccc([C@@H]2CC[N@@H+](Cc3cc4c(cc3O)OC[C@H]4O)C2)cc1 ZINC000768444710 577273990 /nfs/dbraw/zinc/27/39/90/577273990.db2.gz NVCZIHITRSMBDF-AUUYWEPGSA-N 1 1 341.407 2.816 20 10 EFCDMO Oc1cc2c(cc1C[N@H+]1CCCO[C@H](c3ccccc3)C1)[C@H](O)CO2 ZINC000768453437 577275120 /nfs/dbraw/zinc/27/51/20/577275120.db2.gz XHJQZURMYMBWCM-QUCCMNQESA-N 1 1 341.407 2.782 20 10 EFCDMO Oc1cc2c(cc1C[N@H+]1CCOC3(C1)CCCCCC3)[C@@H](O)CO2 ZINC000768461296 577275554 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C[C@@H]1CN(C[C@@H]2CCC[N@H+]2Cc2ccc(N(C)C)c(F)c2)C[C@@H](C)O1 ZINC000769108127 577334829 /nfs/dbraw/zinc/33/48/29/577334829.db2.gz LMACCHNPNDYWFH-NUJGCVRESA-N 1 1 349.494 2.965 20 10 EFCDMO C[C@@H]1C[NH+](C[C@@H]2CCCN2Cc2ccc(N(C)C)c(F)c2)C[C@@H](C)O1 ZINC000769108127 577334830 /nfs/dbraw/zinc/33/48/30/577334830.db2.gz LMACCHNPNDYWFH-NUJGCVRESA-N 1 1 349.494 2.965 20 10 EFCDMO C[N@@H+](CCOC(=O)/C=C\c1ccc(O)c(O)c1)Cc1ccc(F)cc1 ZINC000769118620 577336527 /nfs/dbraw/zinc/33/65/27/577336527.db2.gz XRRFDHNQDAYMEU-UITAMQMPSA-N 1 1 345.370 2.925 20 10 EFCDMO Oc1ccc2c(c1)CC[N@H+](Cc1ccc(N3CCOCC3)cc1)CC2 ZINC000769191984 577343384 /nfs/dbraw/zinc/34/33/84/577343384.db2.gz WYGLQPVNEXZDOB-UHFFFAOYSA-N 1 1 338.451 2.830 20 10 EFCDMO CCCC(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(OCC)cc2O)C1 ZINC000769205158 577344309 /nfs/dbraw/zinc/34/43/09/577344309.db2.gz DPYPMUMTCHVFMZ-OAHLLOKOSA-N 1 1 334.460 2.919 20 10 EFCDMO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2c(O)cccc2OC)C1 ZINC000769209853 577344741 /nfs/dbraw/zinc/34/47/41/577344741.db2.gz NOPCZUCWEWWHOY-LSDHHAIUSA-N 1 1 334.460 2.918 20 10 EFCDMO Fc1cc(C[N@H+]2CCC[C@@H](n3ccnc3)C2)ccc1N1CCOCC1 ZINC000769313612 577351209 /nfs/dbraw/zinc/35/12/09/577351209.db2.gz UZWTUOYULAUKNO-QGZVFWFLSA-N 1 1 344.434 2.696 20 10 EFCDMO CCOc1ccc(C[N@H+]2CCC[C@H](N3CCCCC3=O)C2)c(O)c1 ZINC000769338580 577353239 /nfs/dbraw/zinc/35/32/39/577353239.db2.gz QULTXKYCYNNVLN-INIZCTEOSA-N 1 1 332.444 2.768 20 10 EFCDMO OCCCC[NH+]1CCN(Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000769396149 577358581 /nfs/dbraw/zinc/35/85/81/577358581.db2.gz WGEDWZFPIKPERO-UHFFFAOYSA-N 1 1 340.467 2.949 20 10 EFCDMO C[N@H+](Cc1cn[nH]c1)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000769423271 577361557 /nfs/dbraw/zinc/36/15/57/577361557.db2.gz DXJDNWLPMWSYBI-UHFFFAOYSA-N 1 1 329.404 2.940 20 10 EFCDMO C[N@@H+](Cc1cn[nH]c1)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000769423271 577361558 /nfs/dbraw/zinc/36/15/58/577361558.db2.gz DXJDNWLPMWSYBI-UHFFFAOYSA-N 1 1 329.404 2.940 20 10 EFCDMO CN(C)c1ccc(C[N@H+](C)CC(=O)NCc2cccs2)cc1F ZINC000769427598 577361891 /nfs/dbraw/zinc/36/18/91/577361891.db2.gz KVUWDLUPJQJKLC-UHFFFAOYSA-N 1 1 335.448 2.701 20 10 EFCDMO CN(C)c1ccc(C[N@@H+](C)CC(=O)NCc2cccs2)cc1F ZINC000769427598 577361893 /nfs/dbraw/zinc/36/18/93/577361893.db2.gz KVUWDLUPJQJKLC-UHFFFAOYSA-N 1 1 335.448 2.701 20 10 EFCDMO CCOc1ccc(C[N@@H+](C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)c(O)c1 ZINC000769482892 577365999 /nfs/dbraw/zinc/36/59/99/577365999.db2.gz KPPRMSZOPWQYDF-WBVHZDCISA-N 1 1 341.473 2.579 20 10 EFCDMO Fc1cc(C[N@H+]2CC[C@H]([C@H]3CCOC3)C2)ccc1N1CCOCC1 ZINC000769515455 577369293 /nfs/dbraw/zinc/36/92/93/577369293.db2.gz QSQZDZOVTQRJHA-IRXDYDNUSA-N 1 1 334.435 2.521 20 10 EFCDMO Oc1ccc(-c2ccccc2)cc1C[NH2+]Cc1nnnn1CC1CC1 ZINC000769932657 577394081 /nfs/dbraw/zinc/39/40/81/577394081.db2.gz HHHSDSFUJLCBEQ-UHFFFAOYSA-N 1 1 335.411 2.746 20 10 EFCDMO C[C@H](CCN1CCN(C)CC1)[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000770006613 577397553 /nfs/dbraw/zinc/39/75/53/577397553.db2.gz YZQRXHCPLROPPV-SQWLQELKSA-N 1 1 335.467 2.695 20 10 EFCDMO CCOc1ccc(C[N@@H+]2CCN(CC(F)(F)F)[C@H](C)C2)c(O)c1 ZINC000770390033 577414812 /nfs/dbraw/zinc/41/48/12/577414812.db2.gz JAJBLUOGIRYCKA-GFCCVEGCSA-N 1 1 332.366 2.859 20 10 EFCDMO CCOc1ccc(C[N@H+]2CCN(CC(F)(F)F)[C@H](C)C2)c(O)c1 ZINC000770390033 577414813 /nfs/dbraw/zinc/41/48/13/577414813.db2.gz JAJBLUOGIRYCKA-GFCCVEGCSA-N 1 1 332.366 2.859 20 10 EFCDMO c1cc(N2CCOCC2)nc(NCc2ccc(N3CCCC3)cc2)[nH+]1 ZINC000770444603 577418658 /nfs/dbraw/zinc/41/86/58/577418658.db2.gz OJTLZZWSEIDYPN-UHFFFAOYSA-N 1 1 339.443 2.526 20 10 EFCDMO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1C[N@H+](Cc2ccccc2O)CCO1 ZINC000770506173 577422008 /nfs/dbraw/zinc/42/20/08/577422008.db2.gz WSFPCPLRSQTDLN-CJNGLKHVSA-N 1 1 336.432 2.506 20 10 EFCDMO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1C[N@@H+](Cc2ccccc2O)CCO1 ZINC000770506173 577422009 /nfs/dbraw/zinc/42/20/09/577422009.db2.gz WSFPCPLRSQTDLN-CJNGLKHVSA-N 1 1 336.432 2.506 20 10 EFCDMO CC[C@H](OC)C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000771053681 581169270 /nfs/dbraw/zinc/16/92/70/581169270.db2.gz PPCKZHAYFIRINW-ZBFHGGJFSA-N 1 1 340.851 2.551 20 10 EFCDMO Cc1cc(C(=O)N2CC[N@H+](C)[C@@H](C)[C@H]2C)c(C)n1-c1ccccn1 ZINC000771398209 581207608 /nfs/dbraw/zinc/20/76/08/581207608.db2.gz SIWVMFKNKSQATG-LSDHHAIUSA-N 1 1 326.444 2.654 20 10 EFCDMO C[C@@H](CC1CCOCC1)[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000771842604 581249517 /nfs/dbraw/zinc/24/95/17/581249517.db2.gz JHYBCAATGWRBEI-KRWDZBQOSA-N 1 1 331.504 2.733 20 10 EFCDMO CCC1(O)CCC([NH2+]Cc2ccc(N3CCN(C)CC3)cc2)CC1 ZINC000771875306 581253614 /nfs/dbraw/zinc/25/36/14/581253614.db2.gz QPBSEZXHCRBRCT-UHFFFAOYSA-N 1 1 331.504 2.612 20 10 EFCDMO C[N@H+]1CCCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 ZINC000771924203 581260205 /nfs/dbraw/zinc/26/02/05/581260205.db2.gz CQYPTPNDAIHKRL-UHFFFAOYSA-N 1 1 332.448 2.723 20 10 EFCDMO C[C@H]([NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1nccs1 ZINC000772445180 581323382 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CC(C)[N@@H+](CC(=O)NCc1ccccn1)Cc1ccc(N(C)C)cc1 ZINC000733609557 1265316167 /nfs/dbraw/zinc/31/61/67/1265316167.db2.gz CODOMUHJGXYLPC-UHFFFAOYSA-N 1 1 340.471 2.674 20 10 EFCDMO COc1ccc(O)c(C[N@@H+](C)C2CC(NC(=O)OC(C)(C)C)C2)c1 ZINC000824733724 1278268161 /nfs/dbraw/zinc/26/81/61/1278268161.db2.gz XFJKTKXEXNIVJB-UHFFFAOYSA-N 1 1 336.432 2.888 20 10 EFCDMO COc1c(O)c(C[NH2+]C[C@]2(C)CC2(Cl)Cl)ccc1[N+](=O)[O-] ZINC000824773941 1278276283 /nfs/dbraw/zinc/27/62/83/1278276283.db2.gz OZEMNCBLBUEDMV-LBPRGKRZSA-N 1 1 335.187 2.983 20 10 EFCDMO Cc1cc(N(C)C)ccc1CNC(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000734530458 1267004509 /nfs/dbraw/zinc/00/45/09/1267004509.db2.gz CSGVTSUATISMTA-RDJZCZTQSA-N 1 1 346.519 2.981 20 10 EFCDMO CNC(=O)[C@H]1CCC[N@@H+](Cc2cc(OC)cc(C(C)(C)C)c2O)C1 ZINC000824796074 1278311681 /nfs/dbraw/zinc/31/16/81/1278311681.db2.gz BEWJLXUWEJYOHB-ZDUSSCGKSA-N 1 1 334.460 2.656 20 10 EFCDMO CN1CC[C@]2(CCC[N@@H+](Cc3ccc4c(c3)CCCN4C)CC2)C1=O ZINC001273321383 1267226834 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Cc1cc(Br)c(O)c(C[NH2+][C@H](C)Cc2cnn(C)c2)c1 ZINC000825046862 1278396961 /nfs/dbraw/zinc/39/69/61/1278396961.db2.gz YTORQLYIKIMKOV-LLVKDONJSA-N 1 1 338.249 2.917 20 10 EFCDMO CCOc1ccc(C[N@@H+]2CCCC[C@H]2C(=O)NCC(F)F)c(O)c1 ZINC000825068922 1278403436 /nfs/dbraw/zinc/40/34/36/1278403436.db2.gz ZHHCFRXDCVTZAN-AWEZNQCLSA-N 1 1 342.386 2.527 20 10 EFCDMO CCOc1ccc(C[N@H+]2CCCC[C@H]2C(=O)NCC(F)F)c(O)c1 ZINC000825068922 1278403440 /nfs/dbraw/zinc/40/34/40/1278403440.db2.gz ZHHCFRXDCVTZAN-AWEZNQCLSA-N 1 1 342.386 2.527 20 10 EFCDMO CC(C)CN1CC[C@@]2(CC[N@H+](Cc3cc(F)c(F)cc3O)C2)C1=O ZINC001273379596 1269278128 /nfs/dbraw/zinc/27/81/28/1269278128.db2.gz XDMLXYUNXLQLMD-GOSISDBHSA-N 1 1 338.398 2.751 20 10 EFCDMO CC(C)CN1CC[C@@]2(CC[N@@H+](Cc3cc(F)c(F)cc3O)C2)C1=O ZINC001273379596 1269278140 /nfs/dbraw/zinc/27/81/40/1269278140.db2.gz XDMLXYUNXLQLMD-GOSISDBHSA-N 1 1 338.398 2.751 20 10 EFCDMO CC(C)[N@H+]1CC[C@@H](CNC(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000741065176 1269292873 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330.432 2.900 20 10 EFCDMO CCN(CC)c1ccc(C[N@@H+](C)CC(=O)Nc2cc(C)on2)cc1 ZINC000741678237 1269655745 /nfs/dbraw/zinc/65/57/45/1269655745.db2.gz MZXWBRBZUKGVDU-UHFFFAOYSA-N 1 1 330.432 2.900 20 10 EFCDMO CC(C)(C[NH+]1CCCC1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000825325916 1278506628 /nfs/dbraw/zinc/50/66/28/1278506628.db2.gz IBKCTXVUXOUYIJ-UHFFFAOYSA-N 1 1 335.467 2.626 20 10 EFCDMO CN(C(=O)c1ccc(N=NC(N)=O)cc1)[C@H]1CC[N@H+](C/C=C/Cl)C1 ZINC001033699131 1269860472 /nfs/dbraw/zinc/86/04/72/1269860472.db2.gz LBNQQNSSXUYNFI-XEBASZHOSA-N 1 1 349.822 2.748 20 10 EFCDMO CN(C(=O)c1ccc(N=NC(N)=O)cc1)[C@H]1CC[N@@H+](C/C=C/Cl)C1 ZINC001033699131 1269860489 /nfs/dbraw/zinc/86/04/89/1269860489.db2.gz LBNQQNSSXUYNFI-XEBASZHOSA-N 1 1 349.822 2.748 20 10 EFCDMO CN(C(=O)c1ccc(N=NC(N)=O)cc1)[C@H]1CC[N@H+](C/C=C\Cl)C1 ZINC001033699130 1269860889 /nfs/dbraw/zinc/86/08/89/1269860889.db2.gz LBNQQNSSXUYNFI-RUBGMUFISA-N 1 1 349.822 2.748 20 10 EFCDMO CN(C(=O)c1ccc(N=NC(N)=O)cc1)[C@H]1CC[N@@H+](C/C=C\Cl)C1 ZINC001033699130 1269860906 /nfs/dbraw/zinc/86/09/06/1269860906.db2.gz LBNQQNSSXUYNFI-RUBGMUFISA-N 1 1 349.822 2.748 20 10 EFCDMO C[C@H](F)CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001033700319 1269869239 /nfs/dbraw/zinc/86/92/39/1269869239.db2.gz XHJWTCSETCOXFS-WFASDCNBSA-N 1 1 349.410 2.743 20 10 EFCDMO COCCn1c(C)c(C)c2cc(C(=O)N3CC[N@H+](C)[C@H](C)C3)ccc21 ZINC000742198438 1269933138 /nfs/dbraw/zinc/93/31/38/1269933138.db2.gz KWHXCHBKYISAIE-CQSZACIVSA-N 1 1 343.471 2.681 20 10 EFCDMO COCCn1c(C)c(C)c2cc(C(=O)N3CC[N@@H+](C)[C@H](C)C3)ccc21 ZINC000742198438 1269933145 /nfs/dbraw/zinc/93/31/45/1269933145.db2.gz KWHXCHBKYISAIE-CQSZACIVSA-N 1 1 343.471 2.681 20 10 EFCDMO O=C(NCc1ccccc1O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000792058415 1278522638 /nfs/dbraw/zinc/52/26/38/1278522638.db2.gz UXTBOWZTZFCUHU-KRWDZBQOSA-N 1 1 339.439 2.714 20 10 EFCDMO NC(=O)N=Nc1ccc(C(=O)N2CC[NH+](CCCCCF)CC2)cc1 ZINC001113703520 1278551822 /nfs/dbraw/zinc/55/18/22/1278551822.db2.gz ACHAWKAMRYKOOB-UHFFFAOYSA-N 1 1 349.410 2.747 20 10 EFCDMO COc1cc(C[N@@H+](C)[C@@H](C)C[S@@](C)=O)c(O)c(C(C)(C)C)c1 ZINC000825504887 1278574504 /nfs/dbraw/zinc/57/45/04/1278574504.db2.gz LMNYSLYEEOLLDP-AMXDTQDGSA-N 1 1 327.490 2.897 20 10 EFCDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000743604793 1270662060 /nfs/dbraw/zinc/66/20/60/1270662060.db2.gz QVQSOCLRBZGZMY-MRXNPFEDSA-N 1 1 345.487 2.945 20 10 EFCDMO O=C(NCc1c(O)ccc2c1CCCC2)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000743623530 1270671982 /nfs/dbraw/zinc/67/19/82/1270671982.db2.gz ZKLQXDUXBOBNIJ-INIZCTEOSA-N 1 1 343.471 2.555 20 10 EFCDMO CCN(C(=O)c1ccc(N=NC(N)=O)cc1)[C@H]1CC[N@@H+](CC2CC2)C1 ZINC001034053047 1270933978 /nfs/dbraw/zinc/93/39/78/1270933978.db2.gz OHXDUPJKIHEQSD-INIZCTEOSA-N 1 1 343.431 2.795 20 10 EFCDMO COC(=O)[C@@H]1CC12CC[NH+](Cc1c(O)ccc(Cl)c1F)CC2 ZINC000792164768 1278602417 /nfs/dbraw/zinc/60/24/17/1278602417.db2.gz DSNMKCGVBTYZBD-NSHDSACASA-N 1 1 327.783 2.960 20 10 EFCDMO [O-]c1c(Cl)cccc1C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000702637010 1271563193 /nfs/dbraw/zinc/56/31/93/1271563193.db2.gz RNPYYOFDPDURJG-IBGZPJMESA-N 1 1 346.858 2.772 20 10 EFCDMO [O-]c1c(Cl)cccc1C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000702637010 1271563196 /nfs/dbraw/zinc/56/31/96/1271563196.db2.gz RNPYYOFDPDURJG-IBGZPJMESA-N 1 1 346.858 2.772 20 10 EFCDMO C[C@@H]1C[C@H](NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CC[N@H+]1C ZINC000745858696 1271660231 /nfs/dbraw/zinc/66/02/31/1271660231.db2.gz SWDHBODOTOVWIU-NVXWUHKLSA-N 1 1 344.503 2.909 20 10 EFCDMO CCn1ccc(C[N@H+](C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)c1 ZINC000792311299 1278721348 /nfs/dbraw/zinc/72/13/48/1278721348.db2.gz GIWCHMKEGCEYSJ-UHFFFAOYSA-N 1 1 342.487 2.664 20 10 EFCDMO CCn1ccc(C[N@@H+](C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)c1 ZINC000792311299 1278721357 /nfs/dbraw/zinc/72/13/57/1278721357.db2.gz GIWCHMKEGCEYSJ-UHFFFAOYSA-N 1 1 342.487 2.664 20 10 EFCDMO COc1ccc(N2CCN([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c(C)c1 ZINC001169154407 1272714249 /nfs/dbraw/zinc/71/42/49/1272714249.db2.gz PPRRQXPZWOUPGJ-PIIMJCKOSA-N 1 1 329.488 2.751 20 10 EFCDMO CCOC(=O)[C@@H]1CC[C@@H]([N@@H+](CC)Cc2ccc(N(C)C)cc2)CO1 ZINC001169415309 1272901177 /nfs/dbraw/zinc/90/11/77/1272901177.db2.gz CYTXQEXOSKEKMS-MSOLQXFVSA-N 1 1 334.460 2.685 20 10 EFCDMO COc1ccc2c(c1)c1c(n2C)CC[N@H+]([C@@H]2CCCN(C(C)=O)C2)C1 ZINC001169617164 1273055954 /nfs/dbraw/zinc/05/59/54/1273055954.db2.gz PPZKZMYNFYKBDL-OAHLLOKOSA-N 1 1 341.455 2.556 20 10 EFCDMO COc1ccc2c(c1)c1c(n2C)CC[N@@H+]([C@@H]2CCCN(C(C)=O)C2)C1 ZINC001169617164 1273055959 /nfs/dbraw/zinc/05/59/59/1273055959.db2.gz PPZKZMYNFYKBDL-OAHLLOKOSA-N 1 1 341.455 2.556 20 10 EFCDMO COc1ccc2c(c1)c1c(n2C)CC[N@H+]([C@H]2CCCN(C(C)=O)C2)C1 ZINC001169617163 1273056787 /nfs/dbraw/zinc/05/67/87/1273056787.db2.gz PPZKZMYNFYKBDL-HNNXBMFYSA-N 1 1 341.455 2.556 20 10 EFCDMO COc1ccc2c(c1)c1c(n2C)CC[N@@H+]([C@H]2CCCN(C(C)=O)C2)C1 ZINC001169617163 1273056798 /nfs/dbraw/zinc/05/67/98/1273056798.db2.gz PPZKZMYNFYKBDL-HNNXBMFYSA-N 1 1 341.455 2.556 20 10 EFCDMO CCOC(=O)N1CCC[C@@H]([N@H+]2CCCc3cc(O)c(O)cc3C2)CC1 ZINC001169703287 1273106345 /nfs/dbraw/zinc/10/63/45/1273106345.db2.gz FILXUWYFIJTFSZ-MRXNPFEDSA-N 1 1 348.443 2.857 20 10 EFCDMO CSc1nc(N2CCCC2)cc(NCc2ccc(O)c(O)c2)[nH+]1 ZINC001169990320 1274055781 /nfs/dbraw/zinc/05/57/81/1274055781.db2.gz FKORTCOXZUWGBI-UHFFFAOYSA-N 1 1 332.429 2.822 20 10 EFCDMO CSc1nc(NCc2ccc(O)c(O)c2)cc(N2CCCC2)[nH+]1 ZINC001169990320 1274055790 /nfs/dbraw/zinc/05/57/90/1274055790.db2.gz FKORTCOXZUWGBI-UHFFFAOYSA-N 1 1 332.429 2.822 20 10 EFCDMO C[N@H+]1CCCC[C@H](CNCc2c(O)cccc2Br)C1 ZINC000706835087 1275042274 /nfs/dbraw/zinc/04/22/74/1275042274.db2.gz QAZKZHPFTIBUJG-GFCCVEGCSA-N 1 1 327.266 2.976 20 10 EFCDMO CN(C)c1ccc(C[NH2+]Cc2ncnn2-c2ccccc2)cc1F ZINC000785526227 1275108982 /nfs/dbraw/zinc/10/89/82/1275108982.db2.gz LQSPICUNEAKOIB-UHFFFAOYSA-N 1 1 325.391 2.762 20 10 EFCDMO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000785986608 1275265925 /nfs/dbraw/zinc/26/59/25/1275265925.db2.gz BKCNOSCGPNVHBI-CLCXKQKWSA-N 1 1 336.451 2.644 20 10 EFCDMO C[C@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)[C@H]1CO ZINC000785984226 1275265950 /nfs/dbraw/zinc/26/59/50/1275265950.db2.gz JYQMQZWEHCYZJT-KSSFIOAISA-N 1 1 333.432 2.788 20 10 EFCDMO COc1ccc(N(C)CC[N@@H+](C)C[C@H](O)c2ccccc2F)cc1 ZINC000844400069 1278948187 /nfs/dbraw/zinc/94/81/87/1278948187.db2.gz VBGKDPBXONLOFD-IBGZPJMESA-N 1 1 332.419 2.936 20 10 EFCDMO COc1ccc(N(C)CC[N@@H+](C)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000844399870 1278948413 /nfs/dbraw/zinc/94/84/13/1278948413.db2.gz RDFQXKABMHDSLT-HNNXBMFYSA-N 1 1 333.476 2.511 20 10 EFCDMO C[C@@H]([NH2+]Cc1ccc(S(C)(=O)=O)s1)c1cc(F)cc(F)c1O ZINC000786964579 1275592278 /nfs/dbraw/zinc/59/22/78/1275592278.db2.gz ZECXURHDFJZADC-MRVPVSSYSA-N 1 1 347.408 2.986 20 10 EFCDMO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1c([O-])ccc2ccncc21 ZINC000746644223 1275682926 /nfs/dbraw/zinc/68/29/26/1275682926.db2.gz ASNXLNRPJWASJD-ZTNFWEORSA-N 1 1 341.455 2.624 20 10 EFCDMO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1c([O-])ccc2ccncc21 ZINC000746644223 1275682931 /nfs/dbraw/zinc/68/29/31/1275682931.db2.gz ASNXLNRPJWASJD-ZTNFWEORSA-N 1 1 341.455 2.624 20 10 EFCDMO C[N@@H+]1C[C@H]2CN(Cc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)C[C@H]2C1 ZINC000787302695 1275750829 /nfs/dbraw/zinc/75/08/29/1275750829.db2.gz DDJVSRYEEIFTAT-CALCHBBNSA-N 1 1 344.459 2.579 20 10 EFCDMO CCN(CC)c1ccc(CNC(=O)[C@H]2CCC[N@H+]2C2CC2)cc1F ZINC000787343061 1275762379 /nfs/dbraw/zinc/76/23/79/1275762379.db2.gz YAIMKBRBFXYRNS-GOSISDBHSA-N 1 1 333.451 2.915 20 10 EFCDMO COC(=O)[C@H]1CC[N@@H+](Cc2cc(Br)cc(C)c2O)[C@@H]1C ZINC000787420066 1275769638 /nfs/dbraw/zinc/76/96/38/1275769638.db2.gz CTLAYUPMFILMCG-MFKMUULPSA-N 1 1 342.233 2.847 20 10 EFCDMO C[C@H](CN1CCOCC1)[N@@H+](C)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000788379545 1276158391 /nfs/dbraw/zinc/15/83/91/1276158391.db2.gz VLQSMAPEQPOCDU-CQSZACIVSA-N 1 1 336.476 2.548 20 10 EFCDMO C[C@@H]1C[C@H](C)[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@@H]1C[NH3+] ZINC000817865657 1276351036 /nfs/dbraw/zinc/35/10/36/1276351036.db2.gz MJLBMFMXVVHJKV-SCVCMEIPSA-N 1 1 327.812 2.759 20 10 EFCDMO C[C@@H]1C[C@H](C)[N@@H+](Cc2cccc(Br)c2[O-])C[C@H]1C[NH3+] ZINC000817865969 1276351104 /nfs/dbraw/zinc/35/11/04/1276351104.db2.gz QFIFCUJNBDUJDO-NTZNESFSSA-N 1 1 327.266 2.960 20 10 EFCDMO CCN1CCN(c2ccc(CN[C@@H](C)[C@H]3CCCC[NH2+]3)cc2F)CC1 ZINC000817902369 1276366889 /nfs/dbraw/zinc/36/68/89/1276366889.db2.gz OXXJXSNAWRRHJD-QFBILLFUSA-N 1 1 348.510 2.588 20 10 EFCDMO CCN(CC)c1ccc(CN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1F ZINC000817903260 1276367009 /nfs/dbraw/zinc/36/70/09/1276367009.db2.gz LOJLNNLZJGNQBV-BHIYHBOVSA-N 1 1 349.494 2.919 20 10 EFCDMO CCN1CCN(c2ccc(CN[C@@H](C)[C@@H]3CCCC[NH2+]3)cc2F)CC1 ZINC000817902368 1276367058 /nfs/dbraw/zinc/36/70/58/1276367058.db2.gz OXXJXSNAWRRHJD-LPHOPBHVSA-N 1 1 348.510 2.588 20 10 EFCDMO C[C@@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1ccc(Br)cc1[O-] ZINC000817976632 1276417095 /nfs/dbraw/zinc/41/70/95/1276417095.db2.gz PWOQKPHMLFRWQM-YGRLFVJLSA-N 1 1 325.250 2.947 20 10 EFCDMO C[C@H](N[C@@H](C[NH3+])C1CCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000817983221 1276420549 /nfs/dbraw/zinc/42/05/49/1276420549.db2.gz ZRRHGWVHSIOOGV-KSSFIOAISA-N 1 1 335.467 2.830 20 10 EFCDMO C[C@H](N[C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000817987450 1276427897 /nfs/dbraw/zinc/42/78/97/1276427897.db2.gz ZLPBXLGGNZKYCT-DOTOQJQBSA-N 1 1 347.478 2.988 20 10 EFCDMO COc1ccc(N2CC[C@@H](C[NH2+]C3CCN(CC4CC4)CC3)C2)cc1 ZINC000818343983 1276511588 /nfs/dbraw/zinc/51/15/88/1276511588.db2.gz GTLCUTLCVYBSEL-SFHVURJKSA-N 1 1 343.515 2.986 20 10 EFCDMO CCn1nc(C)c(C[NH2+][C@H](C)c2cc(Br)ccc2O)n1 ZINC000818344850 1276511775 /nfs/dbraw/zinc/51/17/75/1276511775.db2.gz HJHXDIOVINDAMT-SECBINFHSA-N 1 1 339.237 2.925 20 10 EFCDMO C[C@@H]1CC2(C[N@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])CC[NH2+]CC2 ZINC000818430878 1276515705 /nfs/dbraw/zinc/51/57/05/1276515705.db2.gz AVHJXFZRZIGYRZ-LLVKDONJSA-N 1 1 339.823 2.918 20 10 EFCDMO COc1cc(Br)cc(CN[C@@H]2CCCC[C@H]2[NH3+])c1O ZINC000818431434 1276516284 /nfs/dbraw/zinc/51/62/84/1276516284.db2.gz MDYPMHCMVLPCMN-VXGBXAGGSA-N 1 1 329.238 2.523 20 10 EFCDMO CCN(CC)C(=O)N1CC[NH+](Cc2ccc(N(C)C)c(C)c2)CC1 ZINC000815008831 1287241086 /nfs/dbraw/zinc/24/10/86/1287241086.db2.gz PHRSAQWSEOZEDB-UHFFFAOYSA-N 1 1 332.492 2.640 20 10 EFCDMO C[N@@H+](C[C@@H](O)CNc1ccccc1OC[C@H]1CCCCO1)C1CC1 ZINC000819425566 1276782427 /nfs/dbraw/zinc/78/24/27/1276782427.db2.gz DGEOCEAVDZMRPL-DLBZAZTESA-N 1 1 334.460 2.502 20 10 EFCDMO CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CCC[C@@H](n3ccnn3)C2)c1 ZINC000819896749 1276938543 /nfs/dbraw/zinc/93/85/43/1276938543.db2.gz KPWVWYOYFTWXND-OAHLLOKOSA-N 1 1 330.432 2.824 20 10 EFCDMO CCN(CC)c1ccc(C[N@@H+](C)[C@H](C)CN2CCOCC2)cc1F ZINC000789763150 1276971197 /nfs/dbraw/zinc/97/11/97/1276971197.db2.gz FOGLAWGYVBQOLI-MRXNPFEDSA-N 1 1 337.483 2.824 20 10 EFCDMO COc1cc(Br)cc(C[N@@H+](C)CCCCCO)c1O ZINC000789763456 1276971364 /nfs/dbraw/zinc/97/13/64/1276971364.db2.gz KYXWEKVTEGUKMR-UHFFFAOYSA-N 1 1 332.238 2.758 20 10 EFCDMO Cc1cc(C[NH+]2CCC(CCN3CCOCC3)CC2)ccc1N(C)C ZINC000815029106 1287276179 /nfs/dbraw/zinc/27/61/79/1287276179.db2.gz NWRROLQRTUQQOL-UHFFFAOYSA-N 1 1 345.531 2.995 20 10 EFCDMO CC(C)c1[nH+]ccn1CC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000821071224 1277427546 /nfs/dbraw/zinc/42/75/46/1277427546.db2.gz YKUIVXKRGYLCBW-UHFFFAOYSA-N 1 1 327.428 2.907 20 10 EFCDMO Cc1cc(C[NH+]2CCN(Cc3cscn3)CC2)ccc1N(C)C ZINC000815032064 1287278338 /nfs/dbraw/zinc/27/83/38/1287278338.db2.gz AFBFHIQOILEKTA-UHFFFAOYSA-N 1 1 330.501 2.835 20 10 EFCDMO Cc1ccnc(NC(=O)C[N@@H+](C)Cc2ccc(N(C)C)c(C)c2)c1 ZINC000815034782 1287278876 /nfs/dbraw/zinc/27/88/76/1287278876.db2.gz BNKCOEHZYGARPO-UHFFFAOYSA-N 1 1 326.444 2.835 20 10 EFCDMO Cc1ccnc(NC(=O)C[N@H+](C)Cc2ccc(N(C)C)c(C)c2)c1 ZINC000815034782 1287278881 /nfs/dbraw/zinc/27/88/81/1287278881.db2.gz BNKCOEHZYGARPO-UHFFFAOYSA-N 1 1 326.444 2.835 20 10 EFCDMO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1c(O)ccc3ccncc31)C[C@@H](C)O2 ZINC000790399758 1277539154 /nfs/dbraw/zinc/53/91/54/1277539154.db2.gz HOCYTHDRWHJVHF-BIENJYKASA-N 1 1 328.412 2.709 20 10 EFCDMO COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)c1 ZINC000790538976 1277612715 /nfs/dbraw/zinc/61/27/15/1277612715.db2.gz MHUFRYBZTWNZCY-GUYCJALGSA-N 1 1 349.475 2.881 20 10 EFCDMO CC[C@@H](CNC(=O)c1cccc(O)c1O)[N@H+]1CCc2ccccc2C1 ZINC000790533751 1277638437 /nfs/dbraw/zinc/63/84/37/1277638437.db2.gz ZINXMIHYGSVZLF-INIZCTEOSA-N 1 1 340.423 2.665 20 10 EFCDMO Cc1cc(C[N@@H+](C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)ccc1N(C)C ZINC000815071022 1287295247 /nfs/dbraw/zinc/29/52/47/1287295247.db2.gz CMSQRAGMBSYBOL-ROUUACIJSA-N 1 1 338.517 2.849 20 10 EFCDMO Cc1cc(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)ccc1N(C)C ZINC000815074260 1287300848 /nfs/dbraw/zinc/30/08/48/1287300848.db2.gz NMHVIFJRPRLKMO-YZGWKJHDSA-N 1 1 331.504 2.745 20 10 EFCDMO O=C(C1CC1)N1CCC([NH2+]Cc2c(O)ccc(Cl)c2F)CC1 ZINC000790949830 1277874354 /nfs/dbraw/zinc/87/43/54/1277874354.db2.gz JBXCQCGRRANJAT-UHFFFAOYSA-N 1 1 326.799 2.675 20 10 EFCDMO C[C@@H]([NH2+]Cc1cn(C(C)(C)C)nn1)c1ccc(N2CCOCC2)cc1 ZINC000790958428 1277878900 /nfs/dbraw/zinc/87/89/00/1277878900.db2.gz PDGFRCVQKVCFPC-OAHLLOKOSA-N 1 1 343.475 2.721 20 10 EFCDMO CCO[C@H]1C[C@@](CO)([NH2+]Cc2c(O)ccc(Cl)c2F)C1(C)C ZINC000790992497 1277894442 /nfs/dbraw/zinc/89/44/42/1277894442.db2.gz LYDSXRZJJJTZQQ-BBRMVZONSA-N 1 1 331.815 2.840 20 10 EFCDMO COC(=O)C(C)(C)CC[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000792773625 1279167548 /nfs/dbraw/zinc/16/75/48/1279167548.db2.gz IELZGLDAYRAMIS-UHFFFAOYSA-N 1 1 334.460 2.544 20 10 EFCDMO CN(C)c1ccc(C[N@@H+](C)CCN2CCCC2=O)c(C(F)(F)F)c1 ZINC000792819708 1279183408 /nfs/dbraw/zinc/18/34/08/1279183408.db2.gz IXKIWPJKWLRRKX-UHFFFAOYSA-N 1 1 343.393 2.826 20 10 EFCDMO CCN(CC)c1ccc(C[N@@H+](C)C[C@H]2CCCS(=O)(=O)C2)cc1 ZINC000792863061 1279199410 /nfs/dbraw/zinc/19/94/10/1279199410.db2.gz RFSMAFRDTVWSDI-QGZVFWFLSA-N 1 1 338.517 2.789 20 10 EFCDMO COC(=O)[C@@H]1C[N@H+](Cc2cc(C)cc(C(C)(C)C)c2O)C[C@H](C)O1 ZINC000844737631 1279243474 /nfs/dbraw/zinc/24/34/74/1279243474.db2.gz RBGGDBWZERQLFO-BBRMVZONSA-N 1 1 335.444 2.760 20 10 EFCDMO COC(=O)[C@@H]1C[N@@H+](Cc2cc(C)cc(C(C)(C)C)c2O)C[C@H](C)O1 ZINC000844737631 1279243478 /nfs/dbraw/zinc/24/34/78/1279243478.db2.gz RBGGDBWZERQLFO-BBRMVZONSA-N 1 1 335.444 2.760 20 10 EFCDMO [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1cccc(Br)c1[O-])C2 ZINC000844902530 1279324035 /nfs/dbraw/zinc/32/40/35/1279324035.db2.gz OTOVJJAQCMYFEF-WFASDCNBSA-N 1 1 325.250 2.716 20 10 EFCDMO C[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])[C@H]1CC[NH3+] ZINC000844902608 1279325730 /nfs/dbraw/zinc/32/57/30/1279325730.db2.gz SYGCDSXRFLBGAP-MFKMUULPSA-N 1 1 327.812 2.903 20 10 EFCDMO CCCC(C)(C)C(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000845320718 1279549913 /nfs/dbraw/zinc/54/99/13/1279549913.db2.gz YPMQTIKIWQMRMZ-UHFFFAOYSA-N 1 1 347.503 2.760 20 10 EFCDMO CCN(CC)c1ccc(CN2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)cc1F ZINC000793591852 1279761761 /nfs/dbraw/zinc/76/17/61/1279761761.db2.gz RVFKNPKDCICQFC-HOTGVXAUSA-N 1 1 337.483 2.559 20 10 EFCDMO Oc1cc(O)c(C[N@H+](Cc2cccnc2)Cc2ccccn2)c(O)c1 ZINC001144508857 1279769615 /nfs/dbraw/zinc/76/96/15/1279769615.db2.gz BBDFKOQGODPGCS-UHFFFAOYSA-N 1 1 337.379 2.796 20 10 EFCDMO Oc1cc(O)c(C[N@@H+](Cc2cccnc2)Cc2ccccn2)c(O)c1 ZINC001144508857 1279769620 /nfs/dbraw/zinc/76/96/20/1279769620.db2.gz BBDFKOQGODPGCS-UHFFFAOYSA-N 1 1 337.379 2.796 20 10 EFCDMO C[N@@H+](Cc1c(O)cc(O)cc1O)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC001144514437 1279774846 /nfs/dbraw/zinc/77/48/46/1279774846.db2.gz DGGXIGVCCIHXPG-INIZCTEOSA-N 1 1 342.439 2.757 20 10 EFCDMO C[N@H+](Cc1c(O)cc(O)cc1O)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC001144514437 1279774854 /nfs/dbraw/zinc/77/48/54/1279774854.db2.gz DGGXIGVCCIHXPG-INIZCTEOSA-N 1 1 342.439 2.757 20 10 EFCDMO Oc1cc(O)c(C[N@H+]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)c(O)c1 ZINC001144516396 1279778922 /nfs/dbraw/zinc/77/89/22/1279778922.db2.gz XPZMNUGPBVGVSQ-MAUKXSAKSA-N 1 1 340.423 2.510 20 10 EFCDMO C[C@H]1C[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)Cc2ccccc2O1 ZINC000793779080 1279891882 /nfs/dbraw/zinc/89/18/82/1279891882.db2.gz GQOHIYDPKGSJKD-YVEFUNNKSA-N 1 1 327.380 2.601 20 10 EFCDMO C[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)Cc2ccccc2O1 ZINC000793779078 1279892260 /nfs/dbraw/zinc/89/22/60/1279892260.db2.gz GQOHIYDPKGSJKD-SJKOYZFVSA-N 1 1 327.380 2.601 20 10 EFCDMO COc1ccc(N(C)CC[N@H+](C)Cc2cnc([C@@H](C)O)s2)cc1 ZINC000846053082 1280004630 /nfs/dbraw/zinc/00/46/30/1280004630.db2.gz VEGHLLMMYPHNJR-CYBMUJFWSA-N 1 1 335.473 2.773 20 10 EFCDMO COc1ccc(N(C)CC[N@@H+](C)Cc2cnc([C@@H](C)O)s2)cc1 ZINC000846053082 1280004640 /nfs/dbraw/zinc/00/46/40/1280004640.db2.gz VEGHLLMMYPHNJR-CYBMUJFWSA-N 1 1 335.473 2.773 20 10 EFCDMO O=C(NCc1cc(Cl)ccc1O)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000846475772 1280191821 /nfs/dbraw/zinc/19/18/21/1280191821.db2.gz IYGSKLRGQIPUOP-MRXNPFEDSA-N 1 1 345.830 2.721 20 10 EFCDMO O=C(NCc1cc(Cl)ccc1O)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000846475772 1280191827 /nfs/dbraw/zinc/19/18/27/1280191827.db2.gz IYGSKLRGQIPUOP-MRXNPFEDSA-N 1 1 345.830 2.721 20 10 EFCDMO C[N@@H+](CCNC(=O)NCc1cc(Cl)cc(Cl)c1O)C1CC1 ZINC000805184463 1280473487 /nfs/dbraw/zinc/47/34/87/1280473487.db2.gz QLPVSOKCYQIICK-UHFFFAOYSA-N 1 1 332.231 2.592 20 10 EFCDMO C[N@H+](CCNC(=O)NCc1cc(Cl)cc(Cl)c1O)C1CC1 ZINC000805184463 1280473484 /nfs/dbraw/zinc/47/34/84/1280473484.db2.gz QLPVSOKCYQIICK-UHFFFAOYSA-N 1 1 332.231 2.592 20 10 EFCDMO O=C(NCCC[NH+]1CCCC1)NCc1cc(Cl)cc(Cl)c1O ZINC000806332129 1281042052 /nfs/dbraw/zinc/04/20/52/1281042052.db2.gz JRIWLGXXRYNLOI-UHFFFAOYSA-N 1 1 346.258 2.984 20 10 EFCDMO CC[C@@H]([NH2+][C@@H](CCSC)C(=O)N(C)C)c1ccc(F)cc1O ZINC000806663513 1281128073 /nfs/dbraw/zinc/12/80/73/1281128073.db2.gz WYHMAPLFHBCMSE-KGLIPLIRSA-N 1 1 328.453 2.782 20 10 EFCDMO CC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000806855454 1281164461 /nfs/dbraw/zinc/16/44/61/1281164461.db2.gz MIRDMWQLAUSNSK-GFCCVEGCSA-N 1 1 346.258 2.983 20 10 EFCDMO CC[N@H+]1CCC[C@@H]1CNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000806855454 1281164466 /nfs/dbraw/zinc/16/44/66/1281164466.db2.gz MIRDMWQLAUSNSK-GFCCVEGCSA-N 1 1 346.258 2.983 20 10 EFCDMO CC[C@@]1(C)CC(=O)N(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)C1 ZINC000808136115 1281550365 /nfs/dbraw/zinc/55/03/65/1281550365.db2.gz CXLMYBORRZXETN-FQEVSTJZSA-N 1 1 345.487 2.561 20 10 EFCDMO CC[C@@]1(C)CC(=O)N(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)C1 ZINC000808136115 1281550376 /nfs/dbraw/zinc/55/03/76/1281550376.db2.gz CXLMYBORRZXETN-FQEVSTJZSA-N 1 1 345.487 2.561 20 10 EFCDMO COc1ccc(N2CCC[N@@H+](CN3C(=O)CCC3(C)C)CC2)cc1 ZINC000808142179 1281557136 /nfs/dbraw/zinc/55/71/36/1281557136.db2.gz LASABXJXLWWARV-UHFFFAOYSA-N 1 1 331.460 2.566 20 10 EFCDMO CC(=O)NCC[C@H]1CCC[N@@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000808218517 1281594256 /nfs/dbraw/zinc/59/42/56/1281594256.db2.gz SSUUVOVFADSIMF-OAHLLOKOSA-N 1 1 327.428 2.679 20 10 EFCDMO O=C([C@H]1CC[N@H+](Cc2cc3c(cc2O)CCCC3)C1)N1CCCC1 ZINC000808209039 1281603557 /nfs/dbraw/zinc/60/35/57/1281603557.db2.gz SHKHBTMOQSEFHP-KRWDZBQOSA-N 1 1 328.456 2.715 20 10 EFCDMO CN(C)c1ccccc1C[N@@H+](C)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000808235658 1281617216 /nfs/dbraw/zinc/61/72/16/1281617216.db2.gz BAAHTRDZZGHLFI-SFHVURJKSA-N 1 1 328.412 2.516 20 10 EFCDMO CC1(C)C[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)Cc2ccccc2O1 ZINC000808236637 1281619708 /nfs/dbraw/zinc/61/97/08/1281619708.db2.gz ILCBBVFTWCEBNY-QGZVFWFLSA-N 1 1 341.407 2.991 20 10 EFCDMO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3c(O)ccc(Cl)c3F)[C@@H]2C1 ZINC000808446844 1281715646 /nfs/dbraw/zinc/71/56/46/1281715646.db2.gz MLLOGOQWYVSQED-LNSITVRQSA-N 1 1 340.826 2.921 20 10 EFCDMO C[C@@H]([NH2+]Cc1ccc(N2CCN(C)CC2)cc1)[C@@H](O)c1ccccc1 ZINC000808446912 1281715839 /nfs/dbraw/zinc/71/58/39/1281715839.db2.gz XLSUJIRPEMJJDE-DYESRHJHSA-N 1 1 339.483 2.650 20 10 EFCDMO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H](C)CN2CCN(C)CC2)c1O ZINC000808693301 1281847524 /nfs/dbraw/zinc/84/75/24/1281847524.db2.gz YOBCQLBAFBGGBQ-UKRRQHHQSA-N 1 1 339.911 2.888 20 10 EFCDMO NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)CCN3Cc2ccccc2)C1 ZINC000809538282 1282272173 /nfs/dbraw/zinc/27/21/73/1282272173.db2.gz CYHJYQFWYZKVEE-HXUWFJFHSA-N 1 1 349.478 2.947 20 10 EFCDMO CCNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1cc(OCC)ccc1O ZINC000809691180 1282376376 /nfs/dbraw/zinc/37/63/76/1282376376.db2.gz JFCCJIPCJXCJKY-HNNXBMFYSA-N 1 1 336.432 2.892 20 10 EFCDMO CCCNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1cc(OC)ccc1O ZINC000809726725 1282408943 /nfs/dbraw/zinc/40/89/43/1282408943.db2.gz URRXYCNQSDUCNZ-HNNXBMFYSA-N 1 1 336.432 2.892 20 10 EFCDMO COCC[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccccn1 ZINC000809735008 1282414091 /nfs/dbraw/zinc/41/40/91/1282414091.db2.gz VKDYKKPBSRMESU-UHFFFAOYSA-N 1 1 341.455 2.567 20 10 EFCDMO CCOc1ccc(C[N@H+]2CCCC[C@@H]2COC(=O)N(C)C)c(O)c1 ZINC000809709135 1282419656 /nfs/dbraw/zinc/41/96/56/1282419656.db2.gz NIRXZNHZKHVUOD-OAHLLOKOSA-N 1 1 336.432 2.844 20 10 EFCDMO COc1ccc(O)c(C[N@H+]2CCCC[C@H]2COC(=O)NC(C)C)c1 ZINC000809720277 1282425832 /nfs/dbraw/zinc/42/58/32/1282425832.db2.gz CSBFSLHNHKHADP-HNNXBMFYSA-N 1 1 336.432 2.890 20 10 EFCDMO CCN(C)C(=O)OC[C@@H]1CCCC[N@H+]1Cc1cccc(OC)c1O ZINC000809723205 1282427157 /nfs/dbraw/zinc/42/71/57/1282427157.db2.gz RMUZNHGDLMRKCG-HNNXBMFYSA-N 1 1 336.432 2.844 20 10 EFCDMO C[N@@H+]1CC[C@H]2[C@H](CCCN2Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000809767502 1282431118 /nfs/dbraw/zinc/43/11/18/1282431118.db2.gz MZORJKSBCHSRTH-MJGOQNOKSA-N 1 1 347.478 2.578 20 10 EFCDMO C[N@H+]1CC[C@H]2[C@H](CCCN2Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000809767502 1282431120 /nfs/dbraw/zinc/43/11/20/1282431120.db2.gz MZORJKSBCHSRTH-MJGOQNOKSA-N 1 1 347.478 2.578 20 10 EFCDMO C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cccc(Br)c1[O-] ZINC000809765541 1282464786 /nfs/dbraw/zinc/46/47/86/1282464786.db2.gz ODABAKIHHFSSTI-BXUZGUMPSA-N 1 1 327.266 2.927 20 10 EFCDMO C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cccc(Br)c1[O-] ZINC000809765541 1282464791 /nfs/dbraw/zinc/46/47/91/1282464791.db2.gz ODABAKIHHFSSTI-BXUZGUMPSA-N 1 1 327.266 2.927 20 10 EFCDMO C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cccc(Br)c1[O-] ZINC000809765541 1282464797 /nfs/dbraw/zinc/46/47/97/1282464797.db2.gz ODABAKIHHFSSTI-BXUZGUMPSA-N 1 1 327.266 2.927 20 10 EFCDMO C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cccc(Br)c1[O-] ZINC000809765541 1282464802 /nfs/dbraw/zinc/46/48/02/1282464802.db2.gz ODABAKIHHFSSTI-BXUZGUMPSA-N 1 1 327.266 2.927 20 10 EFCDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@@H](CCNC(C)=O)C2)c1O ZINC000809777921 1282478205 /nfs/dbraw/zinc/47/82/05/1282478205.db2.gz IRCUHRUCXXWXCL-ZDUSSCGKSA-N 1 1 340.851 2.792 20 10 EFCDMO C[C@@H]([NH2+]CCNc1cnccn1)c1cccc(C(F)(F)F)c1O ZINC000815589189 1287618048 /nfs/dbraw/zinc/61/80/48/1287618048.db2.gz KODPWECFBMRAAA-SNVBAGLBSA-N 1 1 326.322 2.964 20 10 EFCDMO C[NH+]1CCN(c2ncc(NCc3cc4ccccc4cc3O)cn2)CC1 ZINC001171404477 1283523802 /nfs/dbraw/zinc/52/38/02/1283523802.db2.gz DBOALNCGECQPHZ-UHFFFAOYSA-N 1 1 349.438 2.699 20 10 EFCDMO C[C@@H]([NH2+]CCC1(O)CCOCC1)c1cccc(C(F)(F)F)c1O ZINC000815625265 1287644266 /nfs/dbraw/zinc/64/42/66/1287644266.db2.gz YXSUVWLMGCTQAI-LLVKDONJSA-N 1 1 333.350 2.993 20 10 EFCDMO OC[C@H](CC(F)(F)F)[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715745017 1284323177 /nfs/dbraw/zinc/32/31/77/1284323177.db2.gz MLUDRYQSIURCQG-QMMMGPOBSA-N 1 1 346.118 2.697 20 10 EFCDMO C[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)cc(F)c2[O-])CC[N@@H+]1C ZINC000715793542 1284333439 /nfs/dbraw/zinc/33/34/39/1284333439.db2.gz WKYPVUSXTQFDJL-SKDRFNHKSA-N 1 1 331.229 2.866 20 10 EFCDMO C[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)cc(F)c2[O-])CC[N@H+]1C ZINC000715793542 1284333449 /nfs/dbraw/zinc/33/34/49/1284333449.db2.gz WKYPVUSXTQFDJL-SKDRFNHKSA-N 1 1 331.229 2.866 20 10 EFCDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000811884997 1284730506 /nfs/dbraw/zinc/73/05/06/1284730506.db2.gz SSNYHWAHYYITAE-KRWDZBQOSA-N 1 1 344.503 2.982 20 10 EFCDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000811931747 1284755547 /nfs/dbraw/zinc/75/55/47/1284755547.db2.gz REMAHZMGHXNQJD-INIZCTEOSA-N 1 1 346.519 2.989 20 10 EFCDMO CC(C)[N@H+](C)C[C@@H](C)NC(=O)NCCCSc1nccs1 ZINC000812154988 1284930921 /nfs/dbraw/zinc/93/09/21/1284930921.db2.gz XYWMOJOMYKWIKT-GFCCVEGCSA-N 1 1 330.523 2.653 20 10 EFCDMO COCC[C@@H]1COCC[N@H+]1Cc1c(O)ccc2ccc(OC)cc21 ZINC000812299956 1285063849 /nfs/dbraw/zinc/06/38/49/1285063849.db2.gz ROXKNNTUQGUJND-OAHLLOKOSA-N 1 1 331.412 2.791 20 10 EFCDMO COc1ccc(O)c(C[N@H+]2C[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]32)c1 ZINC000822507927 1289019018 /nfs/dbraw/zinc/01/90/18/1289019018.db2.gz LIGGJRJYUNSRLS-BBRMVZONSA-N 1 1 348.443 2.842 20 10 EFCDMO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ncc(C3OCCO3)s2)c1 ZINC000813331664 1285816329 /nfs/dbraw/zinc/81/63/29/1285816329.db2.gz QMGMJDXEMBLQBL-SNVBAGLBSA-N 1 1 336.413 2.754 20 10 EFCDMO O=C1CC[C@H]2C[C@H]([NH2+]Cc3cc(Cl)c4cccnc4c3O)CCN12 ZINC001172169716 1286045689 /nfs/dbraw/zinc/04/56/89/1286045689.db2.gz INLBPWJJGNOOST-OLZOCXBDSA-N 1 1 345.830 2.837 20 10 EFCDMO Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)c(O)c1O ZINC000813828388 1286130915 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CC(C)[C@@H]([NH2+]Cc1ccc(N2CCN(C)CC2)cc1)C1(CO)CCC1 ZINC000814169505 1286372686 /nfs/dbraw/zinc/37/26/86/1286372686.db2.gz IZPQLKXOKXUIHH-HXUWFJFHSA-N 1 1 345.531 2.715 20 10 EFCDMO [NH3+][C@H]1CCN(Cc2cc(Br)c(F)cc2O)CC[C@H]1F ZINC001206188304 1286389481 /nfs/dbraw/zinc/38/94/81/1286389481.db2.gz VECNRPWJSPPJCF-PWSUYJOCSA-N 1 1 335.192 2.555 20 10 EFCDMO CC1(C)C[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)[C@H]1c1ccncc1 ZINC000814229814 1286428532 /nfs/dbraw/zinc/42/85/32/1286428532.db2.gz DYJLMVHPKCNTET-WMZOPIPTSA-N 1 1 326.396 2.796 20 10 EFCDMO CC1(C)C[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)[C@H]1c1ccncc1 ZINC000814229814 1286428538 /nfs/dbraw/zinc/42/85/38/1286428538.db2.gz DYJLMVHPKCNTET-WMZOPIPTSA-N 1 1 326.396 2.796 20 10 EFCDMO CN(C)c1ccc(C[N@@H+](C)C2CCS(=O)(=O)CC2)c2ccccc21 ZINC001204240412 1289091711 /nfs/dbraw/zinc/09/17/11/1289091711.db2.gz RQABAXUYXKKPAT-UHFFFAOYSA-N 1 1 346.496 2.915 20 10 EFCDMO COc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c2[nH]ncc2F)cc1C ZINC001135407227 1288002754 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EFCDMO COc1c(O)c(C[NH2+]C2(C)Cc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000775035333 1291000645 /nfs/dbraw/zinc/00/06/45/1291000645.db2.gz YRACHHVVOVWABN-UHFFFAOYSA-N 1 1 328.368 2.956 20 10 EFCDMO CCN1CC[C@@H]([N@H+](C)Cc2ccc(N3CCC(O)CC3)cc2)C[C@@H]1C ZINC000876757993 1291009912 /nfs/dbraw/zinc/00/99/12/1291009912.db2.gz HDALQXVNHGRJPP-FXAWDEMLSA-N 1 1 345.531 2.952 20 10 EFCDMO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(N3CCC(O)CC3)cc2)C[C@@H]1C ZINC000876757993 1291009923 /nfs/dbraw/zinc/00/99/23/1291009923.db2.gz HDALQXVNHGRJPP-FXAWDEMLSA-N 1 1 345.531 2.952 20 10 EFCDMO Cc1ccc(CNc2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)c(O)c1 ZINC000876844814 1291045477 /nfs/dbraw/zinc/04/54/77/1291045477.db2.gz JGKFCAWOHWSSIR-GOSISDBHSA-N 1 1 339.439 2.762 20 10 EFCDMO COc1cccc(O[C@@H]2CCC[N@H+](Cc3cc(O)c(O)c(O)c3)C2)c1 ZINC001233014061 1312832366 /nfs/dbraw/zinc/83/23/66/1312832366.db2.gz XWDDOWWNQDDKTG-MRXNPFEDSA-N 1 1 345.395 2.855 20 10 EFCDMO COc1cccc(O[C@@H]2CCC[N@@H+](Cc3cc(O)c(O)c(O)c3)C2)c1 ZINC001233014061 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CC[N@@H+]1C[C@H]2CN(Cc3c(O)cc(Br)cc3F)C[C@H]2C1 ZINC001233033455 1312837156 /nfs/dbraw/zinc/83/71/56/1312837156.db2.gz ONXXGCLGCKDRMA-PHIMTYICSA-N 1 1 343.240 2.677 20 10 EFCDMO CC[N@H+](Cc1cc2c(cc1O)OCO2)C[C@@H](O)c1ccc(C)cc1 ZINC000093641169 1291183257 /nfs/dbraw/zinc/18/32/57/1291183257.db2.gz GFCOQIIQLGMDRU-QGZVFWFLSA-N 1 1 329.396 2.985 20 10 EFCDMO OC1CCN(c2ccc(C[N@@H+]3CCC[C@H]3c3ncc[nH]3)cc2)CC1 ZINC000877345042 1291200552 /nfs/dbraw/zinc/20/05/52/1291200552.db2.gz URDOVLIEQYLJLV-SFHVURJKSA-N 1 1 326.444 2.708 20 10 EFCDMO OC1CCN(c2ccc(C[N@H+]3CCC[C@H]3c3ncc[nH]3)cc2)CC1 ZINC000877345042 1291200558 /nfs/dbraw/zinc/20/05/58/1291200558.db2.gz URDOVLIEQYLJLV-SFHVURJKSA-N 1 1 326.444 2.708 20 10 EFCDMO COC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2cc(C)cc(OC)c2O)C1 ZINC000795690625 1291204908 /nfs/dbraw/zinc/20/49/08/1291204908.db2.gz VXBGXVFEMJJWCO-HNNXBMFYSA-N 1 1 347.333 2.637 20 10 EFCDMO C[C@H]1C[C@H](N2CCOCC2)C[N@H+]1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000795693158 1291206309 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COc1cccc(C[N@@H+](C2CC2)C2CN(C(=O)OC(C)(C)C)C2)c1O ZINC001203600161 1312967406 /nfs/dbraw/zinc/96/74/06/1312967406.db2.gz ULNQIGWLZRCFQD-UHFFFAOYSA-N 1 1 348.443 2.985 20 10 EFCDMO COc1cccc(C[N@H+]2CCC[C@@H](Oc3cc(C)ncn3)C2)c1O ZINC001203601709 1312967625 /nfs/dbraw/zinc/96/76/25/1312967625.db2.gz HRGKDLBLYNSOIX-OAHLLOKOSA-N 1 1 329.400 2.543 20 10 EFCDMO COc1cccc(C[N@@H+](C)[C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c1O ZINC001203601851 1312967632 /nfs/dbraw/zinc/96/76/32/1312967632.db2.gz NSVKRROABLUAQP-FOLVSLTJSA-N 1 1 348.443 2.698 20 10 EFCDMO CCOc1cccc(C[N@H+]2Cc3nn(CC)cc3[C@@H](COC)C2)c1O ZINC001203603963 1312968048 /nfs/dbraw/zinc/96/80/48/1312968048.db2.gz XZIWKLBZQPKTIU-OAHLLOKOSA-N 1 1 345.443 2.753 20 10 EFCDMO CCOc1cccc(C[N@@H+]2Cc3nn(CC)cc3[C@@H](COC)C2)c1O ZINC001203603963 1312968051 /nfs/dbraw/zinc/96/80/51/1312968051.db2.gz XZIWKLBZQPKTIU-OAHLLOKOSA-N 1 1 345.443 2.753 20 10 EFCDMO CCOc1cccc(C[N@@H+]2CCC23CN(C(=O)OC(C)(C)C)C3)c1O ZINC001203603425 1312968325 /nfs/dbraw/zinc/96/83/25/1312968325.db2.gz OQDFYJGOOYIQFV-UHFFFAOYSA-N 1 1 348.443 2.986 20 10 EFCDMO CCOc1cccc(C[N@H+]2CCC23CN(C(=O)OC(C)(C)C)C3)c1O ZINC001203603425 1312968329 /nfs/dbraw/zinc/96/83/29/1312968329.db2.gz OQDFYJGOOYIQFV-UHFFFAOYSA-N 1 1 348.443 2.986 20 10 EFCDMO CCOc1cccc(C[N@H+]2CC[C@@H]3OCCC[C@]3(COC)C2)c1O ZINC001203608224 1312969630 /nfs/dbraw/zinc/96/96/30/1312969630.db2.gz LQWJVNBPYGAQJJ-PKOBYXMFSA-N 1 1 335.444 2.808 20 10 EFCDMO CCOc1cccc(C[N@H+]2CC[C@]3(C2)CCCCN3C(C)=O)c1O ZINC001203610131 1312970063 /nfs/dbraw/zinc/97/00/63/1312970063.db2.gz WNDLBVJEXYYMMD-IBGZPJMESA-N 1 1 332.444 2.768 20 10 EFCDMO CCOCc1noc2c1C[N@H+](Cc1cccc(OCC)c1O)CC2 ZINC001203609853 1312970224 /nfs/dbraw/zinc/97/02/24/1312970224.db2.gz MQUIDIGRFYKPEM-UHFFFAOYSA-N 1 1 332.400 2.874 20 10 EFCDMO CCOCc1noc2c1C[N@@H+](Cc1cccc(OCC)c1O)CC2 ZINC001203609853 1312970226 /nfs/dbraw/zinc/97/02/26/1312970226.db2.gz MQUIDIGRFYKPEM-UHFFFAOYSA-N 1 1 332.400 2.874 20 10 EFCDMO CCOc1cccc(C[N@H+]2CC[C@@H](O)[C@@H]2Cc2ccccc2)c1O ZINC001203608540 1312970490 /nfs/dbraw/zinc/97/04/90/1312970490.db2.gz STVFPEWCYVHPNG-ZWKOTPCHSA-N 1 1 327.424 2.969 20 10 EFCDMO CCOc1cccc(C[N@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)[C@H]3C2)c1O ZINC001203615716 1312972050 /nfs/dbraw/zinc/97/20/50/1312972050.db2.gz YUEYXNVTUFSWKL-GJZGRUSLSA-N 1 1 348.443 2.842 20 10 EFCDMO CCOc1cccc(C[N@H+]2CC[C@H](Oc3cc(OC)ccn3)C2)c1O ZINC001203616915 1312972440 /nfs/dbraw/zinc/97/24/40/1312972440.db2.gz AGSDMHCHARKPGX-INIZCTEOSA-N 1 1 344.411 2.848 20 10 EFCDMO CCOc1cccc(C[N@H+]2CCC[C@H](Oc3cc(C)ncn3)C2)c1O ZINC001203617915 1312972474 /nfs/dbraw/zinc/97/24/74/1312972474.db2.gz YCJUCMOAEADZGV-INIZCTEOSA-N 1 1 343.427 2.933 20 10 EFCDMO CCOc1cccc(C[N@H+]2CC[C@@H](Oc3ncccc3OC)C2)c1O ZINC001203616940 1312972699 /nfs/dbraw/zinc/97/26/99/1312972699.db2.gz BGVMZDHOLREZEX-OAHLLOKOSA-N 1 1 344.411 2.848 20 10 EFCDMO COc1ccc(C[N@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)CC[C@H]32)c(O)c1 ZINC001203621877 1312972945 /nfs/dbraw/zinc/97/29/45/1312972945.db2.gz JGLLKJZTFMYQCB-GDBMZVCRSA-N 1 1 348.443 2.842 20 10 EFCDMO COc1ccc(CC[N@H+](Cc2ccc(OC)cc2O)C[C@@H](C)O)cc1 ZINC001203621285 1312973582 /nfs/dbraw/zinc/97/35/82/1312973582.db2.gz RHENOMAHDKJYOZ-OAHLLOKOSA-N 1 1 345.439 2.835 20 10 EFCDMO CCOC[C@@H]1C[N@H+](Cc2ccc(OC)cc2O)Cc2nn(CC)cc21 ZINC001203623559 1312973939 /nfs/dbraw/zinc/97/39/39/1312973939.db2.gz UHTFTTGWNLXOAO-HNNXBMFYSA-N 1 1 345.443 2.753 20 10 EFCDMO CCOC[C@@H]1C[N@@H+](Cc2ccc(OC)cc2O)Cc2nn(CC)cc21 ZINC001203623559 1312973941 /nfs/dbraw/zinc/97/39/41/1312973941.db2.gz UHTFTTGWNLXOAO-HNNXBMFYSA-N 1 1 345.443 2.753 20 10 EFCDMO COc1ccc(C[N@H+]2CCC[C@@]3(CCN(CC4CC4)C3=O)C2)c(O)c1 ZINC001203623431 1312974167 /nfs/dbraw/zinc/97/41/67/1312974167.db2.gz QJZKZZIJNWLANA-HXUWFJFHSA-N 1 1 344.455 2.625 20 10 EFCDMO COC(=O)CC[N@@H+](Cc1ccccc1)Cc1ccc(OC)cc1O ZINC001203628874 1312975310 /nfs/dbraw/zinc/97/53/10/1312975310.db2.gz HSRSVSPMRSLWFY-UHFFFAOYSA-N 1 1 329.396 2.966 20 10 EFCDMO COc1ccc(C[N@H+]2CCC[C@H](C(=O)N3CCCCC3)C2)c(O)c1 ZINC001203628845 1312975779 /nfs/dbraw/zinc/97/57/79/1312975779.db2.gz HGSOGVWONDYJKC-INIZCTEOSA-N 1 1 332.444 2.625 20 10 EFCDMO Oc1ccc(Br)cc1C[NH+]1CCN(c2cccnc2)CC1 ZINC001203635847 1312977187 /nfs/dbraw/zinc/97/71/87/1312977187.db2.gz IYMFTTKUELCGNX-UHFFFAOYSA-N 1 1 348.244 2.872 20 10 EFCDMO COc1ccc(C[N@H+]2CCC[C@@H](Oc3ncc(C)cn3)C2)c(O)c1 ZINC001203635443 1312977355 /nfs/dbraw/zinc/97/73/55/1312977355.db2.gz VCHPUJIIFUHNAA-MRXNPFEDSA-N 1 1 329.400 2.543 20 10 EFCDMO COc1ccc(C[N@H+]2CCC[C@H](Oc3cccc(OC)n3)C2)c(O)c1 ZINC001203635147 1312977538 /nfs/dbraw/zinc/97/75/38/1312977538.db2.gz LKWBJZKPRVMAPV-INIZCTEOSA-N 1 1 344.411 2.848 20 10 EFCDMO COc1ccc(C[N@H+]2CCC[C@H](Oc3cc(C)ncn3)C2)c(O)c1 ZINC001203634997 1312977616 /nfs/dbraw/zinc/97/76/16/1312977616.db2.gz FOTGBSBSIJIJNH-INIZCTEOSA-N 1 1 329.400 2.543 20 10 EFCDMO Oc1c(C[NH+]2CCN(C3CCC3)CC2)cccc1OC(F)(F)F ZINC001233727132 1312978907 /nfs/dbraw/zinc/97/89/07/1312978907.db2.gz JBLQHXNCZKXMOK-UHFFFAOYSA-N 1 1 330.350 2.961 20 10 EFCDMO Oc1c(C[N@H+]2C[C@@H]3OCC(F)(F)[C@@H]3C2)cccc1OC(F)(F)F ZINC001233737167 1312981649 /nfs/dbraw/zinc/98/16/49/1312981649.db2.gz YIIJQIFQGVABRB-KOLCDFICSA-N 1 1 339.260 2.757 20 10 EFCDMO CCOC[C@@H]1Cn2nccc2C[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC001203658388 1312982330 /nfs/dbraw/zinc/98/23/30/1312982330.db2.gz LHZMIYBLLTUTIS-ZDUSSCGKSA-N 1 1 335.835 2.911 20 10 EFCDMO CCOC[C@@H]1Cn2nccc2C[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC001203658388 1312982332 /nfs/dbraw/zinc/98/23/32/1312982332.db2.gz LHZMIYBLLTUTIS-ZDUSSCGKSA-N 1 1 335.835 2.911 20 10 EFCDMO Cc1noc(C[C@@H]2C[C@H]3C[N@@H+](Cc4cc(Cl)ccc4O)C[C@H]3O2)n1 ZINC001203658729 1312982539 /nfs/dbraw/zinc/98/25/39/1312982539.db2.gz MZAPVHFXLWRSDI-DUVNUKRYSA-N 1 1 349.818 2.569 20 10 EFCDMO COc1cc(C)nc(O[C@@H]2CC[N@@H+](Cc3cc(Cl)ccc3O)C2)n1 ZINC001203665597 1312984313 /nfs/dbraw/zinc/98/43/13/1312984313.db2.gz OQFGXGNAHLUFGV-CQSZACIVSA-N 1 1 349.818 2.806 20 10 EFCDMO COc1ccc(O)c(C[N@H+]2CC[C@H]3CN(C(=O)OC(C)(C)C)[C@H]3C2)c1 ZINC001203670247 1312985167 /nfs/dbraw/zinc/98/51/67/1312985167.db2.gz LRBQPBVVCNTAOF-BBRMVZONSA-N 1 1 348.443 2.842 20 10 EFCDMO CC(C)[N@H+]1CC[C@@H](NC(=O)c2ccc(O)c(O)c2Cl)[C@H](C)C1 ZINC001193255310 1293215756 /nfs/dbraw/zinc/21/57/56/1293215756.db2.gz UIESCQMHGSSWEZ-ZYHUDNBSSA-N 1 1 326.824 2.600 20 10 EFCDMO COc1ccc(O)c(C[N@H+]2CC[C@H]3O[C@@H](c4nc(C)no4)CC[C@H]32)c1 ZINC001203671379 1312985828 /nfs/dbraw/zinc/98/58/28/1312985828.db2.gz PDNYBNZYKSMHPT-DJIMGWMZSA-N 1 1 345.399 2.587 20 10 EFCDMO COc1ccc(O)c(C[N@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)CC[C@H]32)c1 ZINC001203671067 1312985992 /nfs/dbraw/zinc/98/59/92/1312985992.db2.gz IPTAEAPAQHYYFI-GDBMZVCRSA-N 1 1 348.443 2.842 20 10 EFCDMO COc1ccc(O)c(C[N@H+]2CCC[C@@](O)(C(F)(F)F)[C@@H](C)C2)c1 ZINC001203670709 1312986013 /nfs/dbraw/zinc/98/60/13/1312986013.db2.gz XMDMXNWQUQAWNN-NHYWBVRUSA-N 1 1 333.350 2.926 20 10 EFCDMO COc1ccc(O)c(C[N@H+]2CCC[C@@](O)(C(F)(F)F)[C@H](C)C2)c1 ZINC001203670707 1312986083 /nfs/dbraw/zinc/98/60/83/1312986083.db2.gz XMDMXNWQUQAWNN-ABAIWWIYSA-N 1 1 333.350 2.926 20 10 EFCDMO COc1ccc(O)c(C[N@H+]2C[C@@H]3C[C@H](C(=O)NC4CCC4)C[C@@H]3C2)c1 ZINC001203674757 1312987184 /nfs/dbraw/zinc/98/71/84/1312987184.db2.gz AKXWFZSBCXVVAX-QKDCVEJESA-N 1 1 344.455 2.528 20 10 EFCDMO COc1ccc(O)c(C[N@H+]2CC[C@]3(C2)c2ccccc2N(C)C3=O)c1 ZINC001203674825 1312987204 /nfs/dbraw/zinc/98/72/04/1312987204.db2.gz CUUXNNURPVVRSP-FQEVSTJZSA-N 1 1 338.407 2.521 20 10 EFCDMO Oc1c(C[N@H+]2CCCC3(C2)OCCO3)cccc1OC(F)(F)F ZINC001233768488 1312987380 /nfs/dbraw/zinc/98/73/80/1312987380.db2.gz RZTDGWQBXNFATO-UHFFFAOYSA-N 1 1 333.306 2.630 20 10 EFCDMO Oc1c(C[NH+]2CCN(CC(F)F)CC2)cccc1OC(F)(F)F ZINC001233768252 1312987470 /nfs/dbraw/zinc/98/74/70/1312987470.db2.gz OFDGKBAEXJSOLH-UHFFFAOYSA-N 1 1 340.292 2.674 20 10 EFCDMO Oc1c(C[N@@H+]2CCc3nccn3CC2)cccc1OC(F)(F)F ZINC001233768194 1312987809 /nfs/dbraw/zinc/98/78/09/1312987809.db2.gz LZGAQFHDDOZRGQ-UHFFFAOYSA-N 1 1 327.306 2.546 20 10 EFCDMO CN1CCC[C@@H]2C[N@@H+](Cc3cccc(OC(F)(F)F)c3O)C[C@@H]21 ZINC001233768392 1312987948 /nfs/dbraw/zinc/98/79/48/1312987948.db2.gz QDFDYKHQKUIVPV-YPMHNXCESA-N 1 1 330.350 2.817 20 10 EFCDMO C[N@@H+]1CCC[C@@H]2CN(Cc3cccc(OC(F)(F)F)c3O)C[C@@H]21 ZINC001233768392 1312987951 /nfs/dbraw/zinc/98/79/51/1312987951.db2.gz QDFDYKHQKUIVPV-YPMHNXCESA-N 1 1 330.350 2.817 20 10 EFCDMO C[N@H+]1CCC[C@@H]2CN(Cc3cccc(OC(F)(F)F)c3O)C[C@@H]21 ZINC001233768392 1312987955 /nfs/dbraw/zinc/98/79/55/1312987955.db2.gz QDFDYKHQKUIVPV-YPMHNXCESA-N 1 1 330.350 2.817 20 10 EFCDMO COc1ccc(O)c(C[N@@H+](Cc2cccnc2)C2CCOCC2)c1 ZINC001203678324 1312988132 /nfs/dbraw/zinc/98/81/32/1312988132.db2.gz KRAQFBIUALKWGX-UHFFFAOYSA-N 1 1 328.412 2.977 20 10 EFCDMO O=C1C[N@@H+](Cc2cccc(OC(F)(F)F)c2O)CC2(CCCC2)N1 ZINC001233776484 1312990500 /nfs/dbraw/zinc/99/05/00/1312990500.db2.gz ULFXMRRVEJWMIY-UHFFFAOYSA-N 1 1 344.333 2.535 20 10 EFCDMO O=C1C[N@H+](Cc2cccc(OC(F)(F)F)c2O)CC2(CCCC2)N1 ZINC001233776484 1312990502 /nfs/dbraw/zinc/99/05/02/1312990502.db2.gz ULFXMRRVEJWMIY-UHFFFAOYSA-N 1 1 344.333 2.535 20 10 EFCDMO Oc1c(C[N@H+]2CCC[C@@H](n3ccnn3)C2)cccc1OC(F)(F)F ZINC001233776630 1312990579 /nfs/dbraw/zinc/99/05/79/1312990579.db2.gz WHXUVKCYJYBMHN-GFCCVEGCSA-N 1 1 342.321 2.719 20 10 EFCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCC[C@@H]1CC(C)C)cc2=O ZINC000130237712 1293343052 /nfs/dbraw/zinc/34/30/52/1293343052.db2.gz PLRXTKQJVBFYLB-CQSZACIVSA-N 1 1 346.431 2.622 20 10 EFCDMO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1cc(O)c(O)c(Cl)c1 ZINC001193626171 1293373971 /nfs/dbraw/zinc/37/39/71/1293373971.db2.gz RSIVCPRTTVYLMM-LLVKDONJSA-N 1 1 326.824 2.601 20 10 EFCDMO COCc1cc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)no1 ZINC000882924198 1293386628 /nfs/dbraw/zinc/38/66/28/1293386628.db2.gz XQYXSZPZELOMPT-AWEZNQCLSA-N 1 1 331.416 2.508 20 10 EFCDMO CC(C)CC(=O)N1CCC([NH2+]Cc2cc(F)cc(F)c2O)CC1 ZINC000882935020 1293391146 /nfs/dbraw/zinc/39/11/46/1293391146.db2.gz BLNUENGKYBFJJF-UHFFFAOYSA-N 1 1 326.387 2.797 20 10 EFCDMO C[C@@H]1C[N@H+](CCCC[NH2+]Cc2cc(F)cc(F)c2[O-])C[C@H](C)O1 ZINC000883015286 1293430764 /nfs/dbraw/zinc/43/07/64/1293430764.db2.gz OGQFEFAFIYJIEF-BETUJISGSA-N 1 1 328.403 2.649 20 10 EFCDMO C[C@H]([NH2+]Cc1ccc(N2CCN(C)CC2)cc1)c1cccc(CO)c1 ZINC000883290059 1293533049 /nfs/dbraw/zinc/53/30/49/1293533049.db2.gz JOLIEHGCRSNJKN-KRWDZBQOSA-N 1 1 339.483 2.782 20 10 EFCDMO COC1([C@@H](C)[NH2+]Cc2ccc(N3CCN(C)CC3)cc2)CCCC1 ZINC000883291118 1293534277 /nfs/dbraw/zinc/53/42/77/1293534277.db2.gz SRBGCRYKCMHIBS-QGZVFWFLSA-N 1 1 331.504 2.876 20 10 EFCDMO CN1CCN(c2ccc(C[NH2+][C@H]3CCc4cccc(O)c43)cc2)CC1 ZINC000883291042 1293534344 /nfs/dbraw/zinc/53/43/44/1293534344.db2.gz QEMHVTMZGGHBFU-IBGZPJMESA-N 1 1 337.467 2.921 20 10 EFCDMO C[C@@H](F)CC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001194367615 1293598998 /nfs/dbraw/zinc/59/89/98/1293598998.db2.gz JCEQHJJWUXBTNF-IUODEOHRSA-N 1 1 349.410 2.743 20 10 EFCDMO C[N@@H+](C/C=C\Cl)[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001194374048 1293601910 /nfs/dbraw/zinc/60/19/10/1293601910.db2.gz BKPJNSXHTMVMOZ-RUBGMUFISA-N 1 1 349.822 2.748 20 10 EFCDMO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccc(O)c(O)c1 ZINC001203875306 1313038332 /nfs/dbraw/zinc/03/83/32/1313038332.db2.gz KUCZSASTSKAUNV-CYBMUJFWSA-N 1 1 336.432 2.929 20 10 EFCDMO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[N@H+]1Cc1ccc(O)c(O)c1 ZINC001203875306 1313038336 /nfs/dbraw/zinc/03/83/36/1313038336.db2.gz KUCZSASTSKAUNV-CYBMUJFWSA-N 1 1 336.432 2.929 20 10 EFCDMO CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1ccc(O)c(O)c1 ZINC001203875321 1313038496 /nfs/dbraw/zinc/03/84/96/1313038496.db2.gz LKJXJSKVTCWAFI-KBPBESRZSA-N 1 1 334.416 2.682 20 10 EFCDMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(O)c(O)c2)[C@H]1c1ccccc1 ZINC001203877503 1313038942 /nfs/dbraw/zinc/03/89/42/1313038942.db2.gz HLVKLBREYCDEPN-QAPCUYQASA-N 1 1 327.380 2.834 20 10 EFCDMO COc1cc(C[N@@H+](C)Cc2ccc(O)c(O)c2)cc(OC)c1OC ZINC001203882943 1313040610 /nfs/dbraw/zinc/04/06/10/1313040610.db2.gz YCAODPNSBGQBLR-UHFFFAOYSA-N 1 1 333.384 2.756 20 10 EFCDMO CCOC[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2)Cc2ncn(C)c21 ZINC001203932381 1313050769 /nfs/dbraw/zinc/05/07/69/1313050769.db2.gz ZRCBLEIKGUWQHM-INIZCTEOSA-N 1 1 328.460 2.622 20 10 EFCDMO CCOC[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)Cc2ncn(C)c21 ZINC001203932381 1313050773 /nfs/dbraw/zinc/05/07/73/1313050773.db2.gz ZRCBLEIKGUWQHM-INIZCTEOSA-N 1 1 328.460 2.622 20 10 EFCDMO CCOC(=O)c1cc2n(n1)CCC[N@H+](Cc1ccc(N(C)C)cc1)C2 ZINC001203931202 1313049823 /nfs/dbraw/zinc/04/98/23/1313049823.db2.gz OHTDOMVWVLUZKK-UHFFFAOYSA-N 1 1 342.443 2.532 20 10 EFCDMO CCOC(=O)c1cc2n(n1)CCC[N@@H+](Cc1ccc(N(C)C)cc1)C2 ZINC001203931202 1313049826 /nfs/dbraw/zinc/04/98/26/1313049826.db2.gz OHTDOMVWVLUZKK-UHFFFAOYSA-N 1 1 342.443 2.532 20 10 EFCDMO CN(C)c1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)OC(C)(C)C)cc1 ZINC001203931131 1313050148 /nfs/dbraw/zinc/05/01/48/1313050148.db2.gz NGYWEUUZGUFHIO-FVQHAEBGSA-N 1 1 331.460 2.708 20 10 EFCDMO CN(C)c1ccc(CN2CC[NH+](CCOc3ccccc3)CC2)cc1 ZINC001203934704 1313050992 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Oc1c(F)cc(Cl)cc1CN1CC[NH+](CC2CCOCC2)CC1 ZINC000775695520 1294163938 /nfs/dbraw/zinc/16/39/38/1294163938.db2.gz MADWCINYPUKZLR-UHFFFAOYSA-N 1 1 342.842 2.729 20 10 EFCDMO CCOC[C@@H]1Cn2nccc2C[N@@H+](Cc2ccc(N(C)C)cc2)C1 ZINC001203932786 1313050848 /nfs/dbraw/zinc/05/08/48/1313050848.db2.gz CRLXUTVCMCPAIX-KRWDZBQOSA-N 1 1 328.460 2.618 20 10 EFCDMO COCCOc1ccc(N2CC[NH+](Cc3cccc(C)n3)CC2)cc1 ZINC001204070249 1313075804 /nfs/dbraw/zinc/07/58/04/1313075804.db2.gz JGULPMYMLZWCSK-UHFFFAOYSA-N 1 1 341.455 2.737 20 10 EFCDMO C[NH+](C)CCN1CCC[C@]2(CCC[N@@H+](Cc3c([O-])cccc3F)C2)C1 ZINC001276359950 1294653774 /nfs/dbraw/zinc/65/37/74/1294653774.db2.gz ODSKHLZLTPUWIZ-FQEVSTJZSA-N 1 1 349.494 2.771 20 10 EFCDMO C[NH+](C)CCN1CCC12CN(Cc1cc(C(C)(C)C)ccc1O)C2 ZINC001276445095 1313093593 /nfs/dbraw/zinc/09/35/93/1313093593.db2.gz KKSUVWODSQKJEL-UHFFFAOYSA-N 1 1 331.504 2.511 20 10 EFCDMO CC[N@H+]1CCCC[C@H]1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000104146724 1294816450 /nfs/dbraw/zinc/81/64/50/1294816450.db2.gz KDNFNKRNPKIQEO-SFHVURJKSA-N 1 1 347.528 2.730 20 10 EFCDMO CN(C)c1ccc(C[N@H+]2CCO[C@@]3(CCOC3)C2)c2ccccc21 ZINC001204235045 1313106079 /nfs/dbraw/zinc/10/60/79/1313106079.db2.gz DVUSHRSDEBWEKH-FQEVSTJZSA-N 1 1 326.440 2.897 20 10 EFCDMO COC(=O)C[C@H]1C[N@H+](Cc2ccc(N(C)C)c3ccccc23)CCO1 ZINC001204241971 1313106903 /nfs/dbraw/zinc/10/69/03/1313106903.db2.gz LEUPYPPMVBBMPE-INIZCTEOSA-N 1 1 342.439 2.670 20 10 EFCDMO COC(=O)C[C@H]1C[N@@H+](Cc2ccc(N(C)C)c3ccccc23)CCO1 ZINC001204241971 1313106905 /nfs/dbraw/zinc/10/69/05/1313106905.db2.gz LEUPYPPMVBBMPE-INIZCTEOSA-N 1 1 342.439 2.670 20 10 EFCDMO Oc1ccc(C[N@H+]2CC[C@H]3O[C@@H](COCC4CC4)CC[C@H]32)c(O)c1 ZINC001204272454 1313112510 /nfs/dbraw/zinc/11/25/10/1313112510.db2.gz AVCWZVPNWMEJKI-ZHALLVOQSA-N 1 1 333.428 2.646 20 10 EFCDMO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[N@H+]1Cc1ccc(O)cc1O ZINC001204272533 1313112908 /nfs/dbraw/zinc/11/29/08/1313112908.db2.gz PQLLCKAJFNVKQZ-CYBMUJFWSA-N 1 1 336.432 2.929 20 10 EFCDMO C[C@H]1CCN(C(=O)OC(C)(C)C)CC[N@H+]1Cc1ccc(O)cc1O ZINC001204272534 1313113194 /nfs/dbraw/zinc/11/31/94/1313113194.db2.gz PQLLCKAJFNVKQZ-ZDUSSCGKSA-N 1 1 336.432 2.929 20 10 EFCDMO CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](C[N@H+]2Cc2ccc(O)cc2O)C1 ZINC001204276081 1313114334 /nfs/dbraw/zinc/11/43/34/1313114334.db2.gz GAOGKCSYYXTRFA-DZGCQCFKSA-N 1 1 334.416 2.539 20 10 EFCDMO CC(C)(C)OC(=O)N1CC[C@H]2CC[N@@H+](Cc3ccc(O)cc3O)C[C@H]21 ZINC001204276114 1313114354 /nfs/dbraw/zinc/11/43/54/1313114354.db2.gz HBWAFIJMFWGBHW-CZUORRHYSA-N 1 1 348.443 2.929 20 10 EFCDMO CC(C)(C)OC(=O)N[C@H]1C[N@@H+](Cc2ccc(O)cc2O)CC[C@H]1F ZINC001204278642 1313114784 /nfs/dbraw/zinc/11/47/84/1313114784.db2.gz GSIHWENIMQDHQK-KGLIPLIRSA-N 1 1 340.395 2.535 20 10 EFCDMO O=C1Nc2ccccc2CN1[C@H]1CC[N@H+](Cc2ccc(O)cc2O)C1 ZINC001204277490 1313114897 /nfs/dbraw/zinc/11/48/97/1313114897.db2.gz FEEPVJONCUKBAS-HNNXBMFYSA-N 1 1 339.395 2.720 20 10 EFCDMO C[N@H+](Cc1ccc(O)cc1O)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001204277786 1313114922 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O=C1c2ccc(O[C@H]3CCC[NH2+]CC3)cc2C(=O)c2ccc(O)cc21 ZINC001217996419 1315130566 /nfs/dbraw/zinc/13/05/66/1315130566.db2.gz HNCYUHBSUWMNRU-ZDUSSCGKSA-N 1 1 337.375 2.689 20 10 EFCDMO O=C1c2ccc(O[C@H]3CCC4(C[NH2+]C4)C3)cc2C(=O)c2ccc(O)cc21 ZINC001218238456 1315168860 /nfs/dbraw/zinc/16/88/60/1315168860.db2.gz PNHIZOIPSIYILA-AWEZNQCLSA-N 1 1 349.386 2.689 20 10 EFCDMO Cc1cc(C[N@H+]2CC[C@H](O)[C@@H](F)CC2)c(O)cc1Br ZINC001250120519 1315174754 /nfs/dbraw/zinc/17/47/54/1315174754.db2.gz GYXFYQZFIHXWRW-STQMWFEESA-N 1 1 332.213 2.758 20 10 EFCDMO COc1cc(-c2nc3cc(F)c(-n4ccnc4)cc3[nH]2)cc(O)c1O ZINC001250488807 1315216715 /nfs/dbraw/zinc/21/67/15/1315216715.db2.gz OMOCBONLUVUWIN-UHFFFAOYSA-N 1 1 340.314 2.975 20 10 EFCDMO CC[N@H+](Cc1ccccc1O)C[C@@H](O)COc1ccc(OC)cc1 ZINC001252719567 1315493305 /nfs/dbraw/zinc/49/33/05/1315493305.db2.gz ZEIQCCSJKXKYEI-MRXNPFEDSA-N 1 1 331.412 2.663 20 10 EFCDMO CCOc1ccc(C[N@H+]2CCCN(Cc3cc(C)on3)CC2)c(O)c1 ZINC001254004883 1315665003 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C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCc2ccc(N)cc2)C1 ZINC001262597238 1316474678 /nfs/dbraw/zinc/47/46/78/1316474678.db2.gz JFXFWEAUFWDKQW-BEFAXECRSA-N 1 1 338.455 2.904 20 10 EFCDMO O=C(Nc1cccc2nccn21)[C@]12C[C@H]1CC[N@@H+]2Cc1ccccc1O ZINC001279969329 1317426195 /nfs/dbraw/zinc/42/61/95/1317426195.db2.gz XKMLWWPANLNKRL-QRWLVFNGSA-N 1 1 348.406 2.643 20 10 EFCDMO CN1CCN(c2ccc(C[N@H+]3CC[C@@H]4OCCC[C@H]4C3)cc2F)CC1 ZINC001319947781 1329041964 /nfs/dbraw/zinc/04/19/64/1329041964.db2.gz DMXSKKFSNYPLJZ-PXNSSMCTSA-N 1 1 347.478 2.578 20 10 EFCDMO CN(Cc1cscn1)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001319948304 1329042042 /nfs/dbraw/zinc/04/20/42/1329042042.db2.gz QSMDKPGWXPRURV-UHFFFAOYSA-N 1 1 334.464 2.666 20 10 EFCDMO C[C@H]1CN=C(N2CC[NH+](Cc3ccc(N4CCCC4)cc3)CC2)S1 ZINC001319948146 1329041701 /nfs/dbraw/zinc/04/17/01/1329041701.db2.gz IOSICDLVLBKCJR-INIZCTEOSA-N 1 1 344.528 2.896 20 10 EFCDMO O=C(NC1CC1)[C@H]1CCC[N@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC001320481015 1329141196 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20 10 EFCDMO C[NH+]1CCN(c2ccc(CNc3ccc(Cl)nn3)cc2F)CC1 ZINC001324238521 1329610745 /nfs/dbraw/zinc/61/07/45/1329610745.db2.gz ZQONTVLDKUEDHJ-UHFFFAOYSA-N 1 1 335.814 2.633 20 10 EFCDMO OC[C@H](C[NH2+]Cc1cc(Cl)c(F)cc1O)CC1CCOCC1 ZINC001324276849 1329613368 /nfs/dbraw/zinc/61/33/68/1329613368.db2.gz VWJRPVILVSPDHT-LBPRGKRZSA-N 1 1 331.815 2.700 20 10 EFCDMO CCN(CC)c1ccc(C[N@@H+]2CCCN(C(=O)OC)CC2)cc1F ZINC001324743901 1329655391 /nfs/dbraw/zinc/65/53/91/1329655391.db2.gz PDVIEEFKUWJJHU-UHFFFAOYSA-N 1 1 337.439 2.946 20 10 EFCDMO CCN(CC)c1ccc(C[N@H+]2CCCN(C(=O)OC)CC2)cc1F ZINC001324743901 1329655393 /nfs/dbraw/zinc/65/53/93/1329655393.db2.gz PDVIEEFKUWJJHU-UHFFFAOYSA-N 1 1 337.439 2.946 20 10 EFCDMO CN(C)c1ccc(NCc2ccc(N3CC[NH+](C)CC3)c(F)c2)nc1 ZINC001325436890 1329687883 /nfs/dbraw/zinc/68/78/83/1329687883.db2.gz JHPQRNQCARIOHP-UHFFFAOYSA-N 1 1 343.450 2.651 20 10 EFCDMO COC[C@@H]1CCCC[N@H+]1Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001326450674 1329758013 /nfs/dbraw/zinc/75/80/13/1329758013.db2.gz AXHXKSICNMDWEQ-KRWDZBQOSA-N 1 1 335.467 2.578 20 10 EFCDMO CN(C)c1cc(F)c(C[N@H+]2CCC[C@@H](C(=O)NC3CC3)C2)cc1F ZINC001329053470 1330661802 /nfs/dbraw/zinc/66/18/02/1330661802.db2.gz PIEQFIZWWPTEFN-GFCCVEGCSA-N 1 1 337.414 2.521 20 10 EFCDMO COCC[N@@H+](Cc1ccc(N2CCCC2)cc1)C[C@H](O)C(F)(F)F ZINC001329104810 1330667445 /nfs/dbraw/zinc/66/74/45/1330667445.db2.gz MHDBFPNWLUCWTC-INIZCTEOSA-N 1 1 346.393 2.658 20 10 EFCDMO COCC[N@H+](Cc1ccc(N2CCCC2)cc1)C[C@H](O)C(F)(F)F ZINC001329104810 1330667449 /nfs/dbraw/zinc/66/74/49/1330667449.db2.gz MHDBFPNWLUCWTC-INIZCTEOSA-N 1 1 346.393 2.658 20 10 EFCDMO NC(=O)[C@]1(c2ccccc2)CC[N@@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001331503235 1330844620 /nfs/dbraw/zinc/84/46/20/1330844620.db2.gz LIOWNZICFAYAOW-JOCHJYFZSA-N 1 1 349.478 2.916 20 10 EFCDMO COCn1ncc(C)c1C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC001333632453 1331184569 /nfs/dbraw/zinc/18/45/69/1331184569.db2.gz GGVPGKYPURKMMI-QGZVFWFLSA-N 1 1 345.443 2.682 20 10 EFCDMO Oc1c(F)cc(Cl)cc1CN1CCC([NH2+]C2CCOCC2)CC1 ZINC001333735357 1331204403 /nfs/dbraw/zinc/20/44/03/1331204403.db2.gz XDYRDPIALXEERG-UHFFFAOYSA-N 1 1 342.842 2.918 20 10 EFCDMO Nc1ccc(C[N@H+]2CCCN(C(=O)c3ccccc3F)CC2)cc1 ZINC001334753298 1331300508 /nfs/dbraw/zinc/30/05/08/1331300508.db2.gz CAULKDWFWXILJY-UHFFFAOYSA-N 1 1 327.403 2.756 20 10 EFCDMO CC[C@H](F)C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC001335855973 1331410749 /nfs/dbraw/zinc/41/07/49/1331410749.db2.gz QBEBJVKTMPMVTE-KGLIPLIRSA-N 1 1 328.815 2.874 20 10 EFCDMO Nc1ccc(CNC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001336090321 1331434093 /nfs/dbraw/zinc/43/40/93/1331434093.db2.gz KKUXUKWJDQEDRX-SFHVURJKSA-N 1 1 338.455 2.590 20 10 EFCDMO C[N@@H+](CCCOc1cccc(S(C)(=O)=O)c1)Cc1ccc(N)cc1 ZINC001336118365 1331437371 /nfs/dbraw/zinc/43/73/71/1331437371.db2.gz XQMACANSVOIAIN-UHFFFAOYSA-N 1 1 348.468 2.573 20 10 EFCDMO CCc1ccc(NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)[nH+]c1 ZINC001337739979 1331595908 /nfs/dbraw/zinc/59/59/08/1331595908.db2.gz GQLDBUHIWKAWNG-QGZVFWFLSA-N 1 1 338.455 2.958 20 10 EFCDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCc1ccc(N)cc1 ZINC001338580606 1331717886 /nfs/dbraw/zinc/71/78/86/1331717886.db2.gz AUPSQVBNZKDCRA-KXBFYZLASA-N 1 1 338.455 2.589 20 10 EFCDMO Nc1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)cc1 ZINC001343473416 1332348935 /nfs/dbraw/zinc/34/89/35/1332348935.db2.gz MEOBWEDHVXGBAB-SFHVURJKSA-N 1 1 327.403 2.689 20 10 EFCDMO Nc1ccc(CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)cc1 ZINC001343473416 1332348937 /nfs/dbraw/zinc/34/89/37/1332348937.db2.gz MEOBWEDHVXGBAB-SFHVURJKSA-N 1 1 327.403 2.689 20 10 EFCDMO Cn1ccnc1[C@H]([NH2+]Cc1ccc(N2CCCC2)cc1)C(C)(C)CO ZINC001344076168 1332400907 /nfs/dbraw/zinc/40/09/07/1332400907.db2.gz UIGJYPXEBFGSPW-SFHVURJKSA-N 1 1 342.487 2.870 20 10 EFCDMO CC(C)Cn1c(C2SC=CC2=O)nnc1N1CC[N@H+](C)C(C)(C)C1 ZINC001345132665 1332511564 /nfs/dbraw/zinc/51/15/64/1332511564.db2.gz PKHLCWOXWRTBME-UHFFFAOYSA-N 1 1 349.504 2.899 20 10 EFCDMO CC(C)Cn1c(C2SC=CC2=O)nnc1N1CC[N@@H+](C)C(C)(C)C1 ZINC001345132665 1332511565 /nfs/dbraw/zinc/51/15/65/1332511565.db2.gz PKHLCWOXWRTBME-UHFFFAOYSA-N 1 1 349.504 2.899 20 10 EFCDMO Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CC[C@H]2C[C@H](C)C[N@@H+]2C1 ZINC001348861157 1332877584 /nfs/dbraw/zinc/87/75/84/1332877584.db2.gz QLNCPBBQSMTSOW-YJLNNSPDSA-N 1 1 329.488 2.798 20 10 EFCDMO Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CC[C@H]2C[C@@H](C)C[N@@H+]2C1 ZINC001348861154 1332877891 /nfs/dbraw/zinc/87/78/91/1332877891.db2.gz QLNCPBBQSMTSOW-BJZITVGISA-N 1 1 329.488 2.798 20 10 EFCDMO C[NH+](C)Cc1cc(C(=O)NCc2ccc(N3CCCCC3)cc2)no1 ZINC001349811061 1333000625 /nfs/dbraw/zinc/00/06/25/1333000625.db2.gz IAGHXVNCHBWRRY-UHFFFAOYSA-N 1 1 342.443 2.657 20 10 EFCDMO NC(=O)[C@@H]1C[N@@H+](Cc2ccc(N3CCCC3)cc2)C[C@H]1c1ccccc1 ZINC001350283847 1333058426 /nfs/dbraw/zinc/05/84/26/1333058426.db2.gz PPSKRRWRHRCCMK-LEWJYISDSA-N 1 1 349.478 2.988 20 10 EFCDMO Cn1cc(C[N@H+](C)Cc2c3c(ccc2O)oc2c3CCCC2)nn1 ZINC001350479471 1333087306 /nfs/dbraw/zinc/08/73/06/1333087306.db2.gz HSAWKKOOAPOHDN-UHFFFAOYSA-N 1 1 326.400 2.778 20 10 EFCDMO Cn1cc(C[N@@H+](C)Cc2c3c(ccc2O)oc2c3CCCC2)nn1 ZINC001350479471 1333087310 /nfs/dbraw/zinc/08/73/10/1333087310.db2.gz HSAWKKOOAPOHDN-UHFFFAOYSA-N 1 1 326.400 2.778 20 10 EFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@H](C)C(=O)OC(C)(C)C)c1 ZINC000848563761 1334796758 /nfs/dbraw/zinc/79/67/58/1334796758.db2.gz XCRNQAWTIXMANO-NEPJUHHUSA-N 1 1 337.416 2.807 20 10 EFCDMO CCc1cccc(CN2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)c1O ZINC000848884171 1334959901 /nfs/dbraw/zinc/95/99/01/1334959901.db2.gz ZFPJIULSYWXHGO-ROUUACIJSA-N 1 1 345.531 2.945 20 10 EFCDMO CCc1cccc(CN2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)c1O ZINC000848884170 1334959981 /nfs/dbraw/zinc/95/99/81/1334959981.db2.gz ZFPJIULSYWXHGO-QZTJIDSGSA-N 1 1 345.531 2.945 20 10 EFCDMO CCc1cccc(C[N@@H+](C)[C@H](C)c2cccc(S(N)(=O)=O)c2)c1O ZINC000848883206 1334960360 /nfs/dbraw/zinc/96/03/60/1334960360.db2.gz KUICBBQEOZEQDQ-CYBMUJFWSA-N 1 1 348.468 2.795 20 10 EFCDMO CCc1cccc(C[N@@H+](C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)c1O ZINC000848888256 1334962712 /nfs/dbraw/zinc/96/27/12/1334962712.db2.gz PZOXEKAJZVWKOZ-CVEARBPZSA-N 1 1 325.474 2.742 20 10 EFCDMO CCc1cccc(C[N@H+]2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)c1O ZINC000848889530 1334963801 /nfs/dbraw/zinc/96/38/01/1334963801.db2.gz KPVWDXJYHQDZAB-ZWKOTPCHSA-N 1 1 329.444 2.776 20 10 EFCDMO CCc1cccc(C[N@H+]2CCCC[C@H]2C(=O)NCC(F)F)c1O ZINC000848913942 1334983218 /nfs/dbraw/zinc/98/32/18/1334983218.db2.gz CCZJDHZJZLSOCY-AWEZNQCLSA-N 1 1 326.387 2.690 20 10 EFCDMO Fc1ccc([C@@H]2CCNC[C@@H]2[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC000849350224 1335596628 /nfs/dbraw/zinc/59/66/28/1335596628.db2.gz VDKBHZGLYINQQN-OALUTQOASA-N 1 1 326.415 2.996 20 10 EFCDMO Oc1c(Br)cccc1C[NH2+]CCOCC(F)(F)F ZINC000101595338 1416722606 /nfs/dbraw/zinc/72/26/06/1416722606.db2.gz FGUFKCVXTLTOFK-UHFFFAOYSA-N 1 1 328.128 2.823 20 10 EFCDMO CCC(CC)[C@@H](CNCc1ccc(N2CCOCC2)cc1)[NH+](C)C ZINC000074337429 713831736 /nfs/dbraw/zinc/83/17/36/713831736.db2.gz KCGGLBNFBZHGRI-HXUWFJFHSA-N 1 1 333.520 2.979 20 10 EFCDMO COc1ccc2ccc(O)c(C[N@H+](CCS(C)(=O)=O)C3CC3)c2c1 ZINC000157081567 714513829 /nfs/dbraw/zinc/51/38/29/714513829.db2.gz JVBRMEXNMXFBCN-UHFFFAOYSA-N 1 1 349.452 2.563 20 10 EFCDMO COc1ccc2ccc(O)c(C[N@@H+](CCS(C)(=O)=O)C3CC3)c2c1 ZINC000157081567 714513832 /nfs/dbraw/zinc/51/38/32/714513832.db2.gz JVBRMEXNMXFBCN-UHFFFAOYSA-N 1 1 349.452 2.563 20 10 EFCDMO COc1ccc(CN2CC[N@@H+](C)C[C@H]2c2ccccc2)c(O)c1OC ZINC000891400969 714618833 /nfs/dbraw/zinc/61/88/33/714618833.db2.gz XONVAONQEZXJOX-KRWDZBQOSA-N 1 1 342.439 2.898 20 10 EFCDMO COc1ccc(C[N@@H+]2CCN(C)C[C@H]2c2ccccc2)c(O)c1OC ZINC000891400969 714618837 /nfs/dbraw/zinc/61/88/37/714618837.db2.gz XONVAONQEZXJOX-KRWDZBQOSA-N 1 1 342.439 2.898 20 10 EFCDMO COc1ccc(C[N@H+]2CCN(C)C[C@H]2c2ccccc2)c(O)c1OC ZINC000891400969 714618840 /nfs/dbraw/zinc/61/88/40/714618840.db2.gz XONVAONQEZXJOX-KRWDZBQOSA-N 1 1 342.439 2.898 20 10 EFCDMO COc1ccc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])c(O)c1OC ZINC000891620686 714869478 /nfs/dbraw/zinc/86/94/78/714869478.db2.gz IGXPTRLTUXBNEK-UHFFFAOYSA-N 1 1 332.356 2.950 20 10 EFCDMO COc1ccc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c(O)c1OC ZINC000891620686 714869479 /nfs/dbraw/zinc/86/94/79/714869479.db2.gz IGXPTRLTUXBNEK-UHFFFAOYSA-N 1 1 332.356 2.950 20 10 EFCDMO CCOC[C@@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000093419183 715167084 /nfs/dbraw/zinc/16/70/84/715167084.db2.gz SLEVYFNNEITOAS-QGZVFWFLSA-N 1 1 336.451 2.911 20 10 EFCDMO COc1ccc([C@H](CO)[N@@H+](C)Cc2ccc(OC)c(OC)c2O)cc1 ZINC000892044384 715232274 /nfs/dbraw/zinc/23/22/74/715232274.db2.gz IYIFTNDRADZGSW-INIZCTEOSA-N 1 1 347.411 2.583 20 10 EFCDMO COc1ccc(C[N@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)c(O)c1OC ZINC000892223232 715373046 /nfs/dbraw/zinc/37/30/46/715373046.db2.gz HBNJZTHBTGOVAQ-DZGCQCFKSA-N 1 1 331.416 2.689 20 10 EFCDMO COc1cccc(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)c1O ZINC000121315733 724432471 /nfs/dbraw/zinc/43/24/71/724432471.db2.gz LCXQELRNBKIYNL-UHFFFAOYSA-N 1 1 342.439 2.869 20 10 EFCDMO NC(=O)N=Nc1ccc(C(=O)NC[C@H]2CCCC[N@H+]2CC2CC2)cc1 ZINC001024820479 718177145 /nfs/dbraw/zinc/17/71/45/718177145.db2.gz ZQLRVLNBBKIKNF-MRXNPFEDSA-N 1 1 343.431 2.843 20 10 EFCDMO C[C@@H]([NH2+]CC1(CS(C)(=O)=O)CCC1)c1cc(F)cc(F)c1O ZINC000840890452 718917321 /nfs/dbraw/zinc/91/73/21/718917321.db2.gz NNSIEONLNRVWAL-SNVBAGLBSA-N 1 1 333.400 2.536 20 10 EFCDMO C[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)[C@@H]1CCC[N@@H+](CCF)C1 ZINC001025631701 719259695 /nfs/dbraw/zinc/25/96/95/719259695.db2.gz DEWAMEIJKZATSX-TZMCWYRMSA-N 1 1 349.410 2.649 20 10 EFCDMO Oc1c(F)cc(F)cc1C[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000894006534 720219486 /nfs/dbraw/zinc/21/94/86/720219486.db2.gz WBDISNCCTWSWQE-LLVKDONJSA-N 1 1 334.370 2.588 20 10 EFCDMO Oc1c(F)cc(F)cc1C[N@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000894006534 720219490 /nfs/dbraw/zinc/21/94/90/720219490.db2.gz WBDISNCCTWSWQE-LLVKDONJSA-N 1 1 334.370 2.588 20 10 EFCDMO NC(=O)C1(c2ccccc2)CC[NH+](Cc2cc(F)cc(F)c2O)CC1 ZINC000894032859 720233398 /nfs/dbraw/zinc/23/33/98/720233398.db2.gz AOMUAMIGUPRCOT-UHFFFAOYSA-N 1 1 346.377 2.690 20 10 EFCDMO COc1ccc([C@H](CO)[N@@H+](C)Cc2cc(C)cc(OC)c2O)cc1 ZINC000894027636 720240003 /nfs/dbraw/zinc/24/00/03/720240003.db2.gz SBSJNYVLWFMNKY-KRWDZBQOSA-N 1 1 331.412 2.883 20 10 EFCDMO COC(=O)[C@@]1(C)CC[N@@H+](Cc2cc(Br)cc(F)c2[O-])C1 ZINC000894075407 720269020 /nfs/dbraw/zinc/26/90/20/720269020.db2.gz CIEQQSFEACDBKY-AWEZNQCLSA-N 1 1 346.196 2.679 20 10 EFCDMO NC(=O)N=Nc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2C/C=C\Cl)cc1 ZINC001028339813 720393963 /nfs/dbraw/zinc/39/39/63/720393963.db2.gz CXZGISKXWLHRMW-JUHIVRTASA-N 1 1 349.822 2.796 20 10 EFCDMO NC(=O)N=Nc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2C/C=C\Cl)cc1 ZINC001028339813 720393969 /nfs/dbraw/zinc/39/39/69/720393969.db2.gz CXZGISKXWLHRMW-JUHIVRTASA-N 1 1 349.822 2.796 20 10 EFCDMO CCCC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001028341124 720400843 /nfs/dbraw/zinc/40/08/43/720400843.db2.gz ZGGFDMJFUAAKBO-OAHLLOKOSA-N 1 1 331.420 2.843 20 10 EFCDMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1cccc(O)c1O ZINC000186754948 720479950 /nfs/dbraw/zinc/47/99/50/720479950.db2.gz YRWMVZCDZGNHAK-AWEZNQCLSA-N 1 1 330.384 2.648 20 10 EFCDMO CC[C@H](F)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001028344860 720530321 /nfs/dbraw/zinc/53/03/21/720530321.db2.gz QCQJAPAQBOKXRU-DZGCQCFKSA-N 1 1 349.410 2.791 20 10 EFCDMO CCN1CCC[N@@H+](Cc2c(O)ccc3ccc(OC)cc32)CC1=O ZINC000189214490 720593811 /nfs/dbraw/zinc/59/38/11/720593811.db2.gz YHLSMRUSFZDJKG-UHFFFAOYSA-N 1 1 328.412 2.608 20 10 EFCDMO CC[NH2+]CC1CC[NH+](Cc2cc(Br)ccc2[O-])CC1 ZINC000220320353 720857216 /nfs/dbraw/zinc/85/72/16/720857216.db2.gz ZEZLAASHGKBVFH-UHFFFAOYSA-N 1 1 327.266 2.976 20 10 EFCDMO C[C@@H](F)CC[N@H+]1CC[C@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001029013826 722637450 /nfs/dbraw/zinc/63/74/50/722637450.db2.gz IPXPJIUXOGCLIF-CHWSQXEVSA-N 1 1 349.410 2.649 20 10 EFCDMO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)cc(F)c2O)[C@@H]1OC ZINC000894466961 722747464 /nfs/dbraw/zinc/74/74/64/722747464.db2.gz RBHKKDIMYWUMFM-BZPMIXESSA-N 1 1 348.212 2.576 20 10 EFCDMO COC(=O)C[C@](C)([NH2+]Cc1cc(F)cc(F)c1O)c1ccncc1 ZINC000894491929 722757020 /nfs/dbraw/zinc/75/70/20/722757020.db2.gz VUKPYBWSOKEQHJ-KRWDZBQOSA-N 1 1 336.338 2.634 20 10 EFCDMO C[N@@H+](Cc1cc(F)cc(F)c1[O-])[C@H]1CCN(Cc2ccccc2)C1=O ZINC000894540750 722776348 /nfs/dbraw/zinc/77/63/48/722776348.db2.gz MWOSVTBNAPKKLF-KRWDZBQOSA-N 1 1 346.377 2.903 20 10 EFCDMO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cc(F)cc(F)c3O)CC2)n1 ZINC000894580866 722787551 /nfs/dbraw/zinc/78/75/51/722787551.db2.gz XIWVVIHSSBYEAR-UHFFFAOYSA-N 1 1 338.314 2.612 20 10 EFCDMO COc1ccc(N2CCC(NC(=O)[C@H]3CC[N@H+]3C(C)(C)C)CC2)cc1 ZINC000896086744 723124856 /nfs/dbraw/zinc/12/48/56/723124856.db2.gz IFZNSOUMVZCLIE-GOSISDBHSA-N 1 1 345.487 2.653 20 10 EFCDMO CCC[N@@H+](Cc1ccc(OCC(N)=O)cc1)Cc1ccccc1O ZINC000727830900 723186640 /nfs/dbraw/zinc/18/66/40/723186640.db2.gz UKXLXXDSZVKDRL-UHFFFAOYSA-N 1 1 328.412 2.669 20 10 EFCDMO O=C(NCc1ccccc1)[C@H]1CC[N@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000895084684 723238928 /nfs/dbraw/zinc/23/89/28/723238928.db2.gz GMSGMYPONIWTRT-AWEZNQCLSA-N 1 1 346.377 2.809 20 10 EFCDMO O=C(NCc1ccccc1)[C@H]1CC[N@@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000895084684 723238932 /nfs/dbraw/zinc/23/89/32/723238932.db2.gz GMSGMYPONIWTRT-AWEZNQCLSA-N 1 1 346.377 2.809 20 10 EFCDMO O=C(NCc1ccccc1)[C@H]1CC[N@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000895084684 723238934 /nfs/dbraw/zinc/23/89/34/723238934.db2.gz GMSGMYPONIWTRT-AWEZNQCLSA-N 1 1 346.377 2.809 20 10 EFCDMO COc1ccc(C[N@@H+](C)C[C@]2(O)CCc3ccccc32)c(O)c1OC ZINC000895090351 723257475 /nfs/dbraw/zinc/25/74/75/723257475.db2.gz MFEMNTAUFHIDLN-HXUWFJFHSA-N 1 1 343.423 2.675 20 10 EFCDMO CN(C)c1ccc(C[N@H+]2CC[C@H](C3OCCO3)C2)c(C(F)(F)F)c1 ZINC000896380844 723286186 /nfs/dbraw/zinc/28/61/86/723286186.db2.gz LYVUEAVTIRZIEB-ZDUSSCGKSA-N 1 1 344.377 2.966 20 10 EFCDMO COc1c(O)c(C[NH2+]CCc2nc3c(s2)CCC3)ccc1[N+](=O)[O-] ZINC000896841054 723536629 /nfs/dbraw/zinc/53/66/29/723536629.db2.gz IANOURVVPRKTPL-UHFFFAOYSA-N 1 1 349.412 2.587 20 10 EFCDMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)NCCCSc1nccs1 ZINC000154650836 728842910 /nfs/dbraw/zinc/84/29/10/728842910.db2.gz NTTIBVOXHUBTGT-CYBMUJFWSA-N 1 1 342.534 2.607 20 10 EFCDMO CCOC(=O)[C@H]1CC[N@@H+](Cc2c(O)cccc2Br)C1 ZINC000896957875 723913833 /nfs/dbraw/zinc/91/38/33/723913833.db2.gz DYCWNSVRIXKIFI-JTQLQIEISA-N 1 1 328.206 2.540 20 10 EFCDMO CN1CCN(c2ccc(C[NH2+]C[C@H]3CC3(Cl)Cl)cc2)CC1 ZINC000895608150 724221975 /nfs/dbraw/zinc/22/19/75/724221975.db2.gz YCXFGCNCJJSRFJ-CQSZACIVSA-N 1 1 328.287 2.722 20 10 EFCDMO CCOc1ccc(C[N@@H+](CCO)Cc2ccc(OC)cc2)c(O)c1 ZINC000895710066 724280411 /nfs/dbraw/zinc/28/04/11/724280411.db2.gz FLSPLQXHKYBMIV-UHFFFAOYSA-N 1 1 331.412 2.794 20 10 EFCDMO CCC[N@@H+](CC)CCNC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000174653617 725535045 /nfs/dbraw/zinc/53/50/45/725535045.db2.gz GMOQLTNAMHQKIN-UHFFFAOYSA-N 1 1 328.460 2.951 20 10 EFCDMO C[C@@H]1CC[N@@H+](CCNC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)C1 ZINC000897428764 725730997 /nfs/dbraw/zinc/73/09/97/725730997.db2.gz RGGOZJQYXQICIZ-MRXNPFEDSA-N 1 1 344.503 2.768 20 10 EFCDMO C[C@@H]1CCC[N@H+]1CCNC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000897505304 726349135 /nfs/dbraw/zinc/34/91/35/726349135.db2.gz KOHUYWWIJHGPAL-SNVBAGLBSA-N 1 1 346.258 2.983 20 10 EFCDMO C[C@@H]1CCC[N@@H+]1CCNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000897505304 726349140 /nfs/dbraw/zinc/34/91/40/726349140.db2.gz KOHUYWWIJHGPAL-SNVBAGLBSA-N 1 1 346.258 2.983 20 10 EFCDMO C[C@@H]1CCC[N@H+]1CCNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000897505304 726349143 /nfs/dbraw/zinc/34/91/43/726349143.db2.gz KOHUYWWIJHGPAL-SNVBAGLBSA-N 1 1 346.258 2.983 20 10 EFCDMO C[C@H]1C[N@H+](Cc2cccc(CNC(=O)C3=CC(=O)CS3)c2)CCO1 ZINC000731871849 726946139 /nfs/dbraw/zinc/94/61/39/726946139.db2.gz SPMDTGUXPJALHC-ZDUSSCGKSA-N 1 1 346.452 2.604 20 10 EFCDMO C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)C3=CC(=O)CS3)c2)CCO1 ZINC000731871849 726946141 /nfs/dbraw/zinc/94/61/41/726946141.db2.gz SPMDTGUXPJALHC-ZDUSSCGKSA-N 1 1 346.452 2.604 20 10 EFCDMO CCc1nnc([C@H](C)[N@@H+]2CCCN(c3ccc(OC)cc3)CC2)o1 ZINC000731918862 726956111 /nfs/dbraw/zinc/95/61/11/726956111.db2.gz YQTCWVQUNLQMFF-AWEZNQCLSA-N 1 1 330.432 2.914 20 10 EFCDMO CCc1nnc([C@H](C)[N@H+]2CCCN(c3ccc(OC)cc3)CC2)o1 ZINC000731918862 726956112 /nfs/dbraw/zinc/95/61/12/726956112.db2.gz YQTCWVQUNLQMFF-AWEZNQCLSA-N 1 1 330.432 2.914 20 10 EFCDMO C[C@H](CNC(=O)NCc1ccc(N(C)C)cc1)[N@H+]1CCC[C@H](C)C1 ZINC000915698768 727119995 /nfs/dbraw/zinc/11/99/95/727119995.db2.gz YKLXMFRMAWWUND-JKSUJKDBSA-N 1 1 332.492 2.672 20 10 EFCDMO c1cc(N2CCCCC2)ccc1C[NH+]1CCN(C[C@H]2CCCO2)CC1 ZINC000732589493 727167556 /nfs/dbraw/zinc/16/75/56/727167556.db2.gz ARUKEGASISKLLQ-OAQYLSRUSA-N 1 1 343.515 2.974 20 10 EFCDMO c1cc(N2CCCCC2)ccc1C[NH+]1CCN(C[C@@H]2CCCO2)CC1 ZINC000732589492 727167726 /nfs/dbraw/zinc/16/77/26/727167726.db2.gz ARUKEGASISKLLQ-NRFANRHFSA-N 1 1 343.515 2.974 20 10 EFCDMO 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/nfs/dbraw/zinc/88/14/07/1117881407.db2.gz GRCHIMJFSNNJFU-LHHJGKSTSA-N 1 1 328.460 2.956 20 10 EFCDMO CSC[C@@H](C)C(=O)NCCC1=CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC001089822998 1117942961 /nfs/dbraw/zinc/94/29/61/1117942961.db2.gz USYLGFOZNFCGGV-CYBMUJFWSA-N 1 1 348.516 2.735 20 10 EFCDMO Cc1cc(N2CC=C(CCNC(=O)c3ccns3)CC2)nc(C)[nH+]1 ZINC001089843330 1118236274 /nfs/dbraw/zinc/23/62/74/1118236274.db2.gz DJCHDYADETYLII-UHFFFAOYSA-N 1 1 343.456 2.507 20 10 EFCDMO C[C@@H]1C[C@H]1C[N@H+]1CCC[C@@]12CCN(Cc1ccc(N(C)C)cc1)C2=O ZINC001272699262 1118248019 /nfs/dbraw/zinc/24/80/19/1118248019.db2.gz FAXKEVXVUGBBRY-MMOPVJDHSA-N 1 1 341.499 2.976 20 10 EFCDMO CCc1cc(N2CC=C(CCNC(=O)[C@@H](F)C(C)C)CC2)nc(C)[nH+]1 ZINC001089854073 1118352258 /nfs/dbraw/zinc/35/22/58/1118352258.db2.gz NSSSZAULUVJPBY-SFHVURJKSA-N 1 1 348.466 2.984 20 10 EFCDMO Cc1cc(N2CC=C(CCNC(=O)[C@H]3CC[C@@H](F)C3)CC2)nc(C)[nH+]1 ZINC001089855404 1118415081 /nfs/dbraw/zinc/41/50/81/1118415081.db2.gz JTEVPJSBWJMFBZ-DLBZAZTESA-N 1 1 346.450 2.874 20 10 EFCDMO CCc1cc(N2CC=C(CCNC(=O)[C@H]3CC34CC4)CC2)nc(C)[nH+]1 ZINC001089864232 1118854446 /nfs/dbraw/zinc/85/44/46/1118854446.db2.gz UHNXOBDEAUKBQT-QGZVFWFLSA-N 1 1 340.471 2.790 20 10 EFCDMO CCc1nc(N2CC=C(CCNC(=O)c3cc[nH]c3)CC2)cc(C)[nH+]1 ZINC001089867128 1118914370 /nfs/dbraw/zinc/91/43/70/1118914370.db2.gz BQMOFTNWOIMTOK-UHFFFAOYSA-N 1 1 339.443 2.632 20 10 EFCDMO CCC[N@H+]1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)[C@@H](C)C1 ZINC000945219995 1120678668 /nfs/dbraw/zinc/67/86/68/1120678668.db2.gz FGZAINWRXXQWST-WFASDCNBSA-N 1 1 331.420 2.699 20 10 EFCDMO CC(C)C[N@H+]1CC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)[C@H](C)C1 ZINC000945227316 1120685160 /nfs/dbraw/zinc/68/51/60/1120685160.db2.gz XYHGHZFZFXMQQO-CZUORRHYSA-N 1 1 345.447 2.945 20 10 EFCDMO COC(=O)c1cccc(C[NH+]2CCN(c3ccc(OC)cc3)CC2)c1 ZINC000097653836 219044153 /nfs/dbraw/zinc/04/41/53/219044153.db2.gz KXRANXJCAIWOLF-UHFFFAOYSA-N 1 1 340.423 2.804 20 10 EFCDMO CN(C)c1ccc(CNC(=O)C[N@@H+](C)CCc2cccs2)cc1 ZINC000173756791 529780697 /nfs/dbraw/zinc/78/06/97/529780697.db2.gz BAFTYDVBEXIKCS-UHFFFAOYSA-N 1 1 331.485 2.605 20 10 EFCDMO C[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)NCc1ccc(N3CCCC3)cc1)C2 ZINC000173993295 529831803 /nfs/dbraw/zinc/83/18/03/529831803.db2.gz FKMIXOUJEYWPRM-PKOBYXMFSA-N 1 1 342.487 2.665 20 10 EFCDMO COc1cc(O)c(C[N@@H+]2CCC[C@@H]2CN2CCCCC2)cc1OC ZINC000160233863 239043892 /nfs/dbraw/zinc/04/38/92/239043892.db2.gz SKEKCJQROODZOC-MRXNPFEDSA-N 1 1 334.460 2.860 20 10 EFCDMO COc1cc(O)c(C[N@H+]2CCC[C@@H]2CN2CCCCC2)cc1OC ZINC000160233863 239043895 /nfs/dbraw/zinc/04/38/95/239043895.db2.gz SKEKCJQROODZOC-MRXNPFEDSA-N 1 1 334.460 2.860 20 10 EFCDMO NC(=O)c1csc(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)c1 ZINC000160202249 239044329 /nfs/dbraw/zinc/04/43/29/239044329.db2.gz WIFAFYOKDPYHCG-OAHLLOKOSA-N 1 1 346.452 2.734 20 10 EFCDMO NC(=O)c1csc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC000160202100 239045770 /nfs/dbraw/zinc/04/57/70/239045770.db2.gz WIFAFYOKDPYHCG-HNNXBMFYSA-N 1 1 346.452 2.734 20 10 EFCDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2cccc(O)c2O)C1 ZINC000193069260 240084062 /nfs/dbraw/zinc/08/40/62/240084062.db2.gz DVWOWIDSHSSNOI-GJZGRUSLSA-N 1 1 332.444 2.824 20 10 EFCDMO Oc1ccccc1C[N@@H+](CCO[C@@H]1CCCCO1)C[C@@H]1CCCO1 ZINC000193071252 240084510 /nfs/dbraw/zinc/08/45/10/240084510.db2.gz JKELRZASUOMTFX-PKOBYXMFSA-N 1 1 335.444 2.916 20 10 EFCDMO C[C@H]([NH2+]CCNC(=O)c1ccn[nH]1)c1cc(Cl)c(Cl)cc1O ZINC000193274964 240093499 /nfs/dbraw/zinc/09/34/99/240093499.db2.gz UHOQSTYPWSUXOS-QMMMGPOBSA-N 1 1 343.214 2.503 20 10 EFCDMO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1csc(C[NH3+])n1 ZINC000237219970 240241948 /nfs/dbraw/zinc/24/19/48/240241948.db2.gz FFHFMWFTOCNACU-UHFFFAOYSA-N 1 1 344.484 2.864 20 10 EFCDMO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1CCC[N@H+]1C ZINC000266672846 240482430 /nfs/dbraw/zinc/48/24/30/240482430.db2.gz AYXSILCGDJTQFB-GOSISDBHSA-N 1 1 332.492 2.767 20 10 EFCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCn2cnc3ccccc32)c1 ZINC000273395091 240696723 /nfs/dbraw/zinc/69/67/23/240696723.db2.gz LVBVYRCEUZPFAQ-CYBMUJFWSA-N 1 1 339.395 2.879 20 10 EFCDMO Cc1[nH+]cc2n1CC[C@@H](C(=O)NCc1c(O)ccc3c1CCCC3)C2 ZINC000290771649 241018835 /nfs/dbraw/zinc/01/88/35/241018835.db2.gz IWRANCRAMGVTNL-OAHLLOKOSA-N 1 1 339.439 2.655 20 10 EFCDMO COc1c(O)c(C[NH2+][C@@H]2COc3c(C)cccc3C2)ccc1[N+](=O)[O-] ZINC000290916600 241024176 /nfs/dbraw/zinc/02/41/76/241024176.db2.gz NMZPZNZPNPEDQS-AWEZNQCLSA-N 1 1 344.367 2.711 20 10 EFCDMO C[C@H]([NH2+]CCN1CCC(O)CC1)c1cc(Cl)c(Cl)cc1O ZINC000296026658 241071622 /nfs/dbraw/zinc/07/16/22/241071622.db2.gz SLDCBTKXWGVPGL-JTQLQIEISA-N 1 1 333.259 2.806 20 10 EFCDMO COc1c(O)c(C[NH2+]C[C@@H](Cc2ccccc2)OC)ccc1[N+](=O)[O-] ZINC000294700639 241050069 /nfs/dbraw/zinc/05/00/69/241050069.db2.gz CZAKKCZNSDAPHP-OAHLLOKOSA-N 1 1 346.383 2.656 20 10 EFCDMO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)c2nccn21 ZINC000294708334 241050538 /nfs/dbraw/zinc/05/05/38/241050538.db2.gz BICNSGFDAACJJI-CZUORRHYSA-N 1 1 330.407 2.654 20 10 EFCDMO C[C@H]([NH2+][C@H](C(N)=O)c1ccccn1)c1cc2c(cc1O)CCCC2 ZINC000297397228 241119529 /nfs/dbraw/zinc/11/95/29/241119529.db2.gz SFBKHDVLVHUUBG-SGTLLEGYSA-N 1 1 325.412 2.543 20 10 EFCDMO Cc1cc(NC(=O)C[N@@H+](Cc2ccc(N(C)C)cc2)C(C)C)no1 ZINC000298689175 241156688 /nfs/dbraw/zinc/15/66/88/241156688.db2.gz CSHKYVCDUOBRNF-UHFFFAOYSA-N 1 1 330.432 2.898 20 10 EFCDMO CC[N@H+]1CCC[C@H]1CNC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000298733900 241160113 /nfs/dbraw/zinc/16/01/13/241160113.db2.gz OWCPCOCCFMJFJY-INIZCTEOSA-N 1 1 326.444 2.703 20 10 EFCDMO Cc1cc(C(=O)NCCCn2cc[nH+]c2C)c(C)n1-c1ccccn1 ZINC000298910259 241162142 /nfs/dbraw/zinc/16/21/42/241162142.db2.gz BSUPNWYZSMPAKD-UHFFFAOYSA-N 1 1 337.427 2.814 20 10 EFCDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000299403929 241174532 /nfs/dbraw/zinc/17/45/32/241174532.db2.gz MUYPNZHXRXCSPW-KRWDZBQOSA-N 1 1 332.492 2.672 20 10 EFCDMO Cc1c2ccccc2n(C)c1C[NH2+]Cc1cn(Cc2cccnc2)nn1 ZINC000355130656 242020143 /nfs/dbraw/zinc/02/01/43/242020143.db2.gz XVCZLVCMCRZZHJ-UHFFFAOYSA-N 1 1 346.438 2.811 20 10 EFCDMO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000363913167 242285512 /nfs/dbraw/zinc/28/55/12/242285512.db2.gz GRGORBWZKHWUJZ-PKOBYXMFSA-N 1 1 344.503 2.911 20 10 EFCDMO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000363913164 242286220 /nfs/dbraw/zinc/28/62/20/242286220.db2.gz GRGORBWZKHWUJZ-HKUYNNGSSA-N 1 1 344.503 2.911 20 10 EFCDMO COc1c(O)c(C[NH2+][C@@H]2CCc3ccccc3OC2)ccc1[N+](=O)[O-] ZINC000367344003 242379179 /nfs/dbraw/zinc/37/91/79/242379179.db2.gz RTIAUTGEHSASBR-CQSZACIVSA-N 1 1 344.367 2.792 20 10 EFCDMO CN(C)c1ccc(CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1F ZINC000367473153 242383399 /nfs/dbraw/zinc/38/33/99/242383399.db2.gz BOJAQCZFIIGAFW-XYPWUTKMSA-N 1 1 348.466 2.658 20 10 EFCDMO C[C@H]1[C@H](N2CCCC2)CC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000367681710 242388088 /nfs/dbraw/zinc/38/80/88/242388088.db2.gz DWNWUNXHVGJMDM-FXAWDEMLSA-N 1 1 329.488 2.582 20 10 EFCDMO C[C@H]1[C@H](N2CCCC2)CC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000367681710 242388093 /nfs/dbraw/zinc/38/80/93/242388093.db2.gz DWNWUNXHVGJMDM-FXAWDEMLSA-N 1 1 329.488 2.582 20 10 EFCDMO COc1cc(Cl)cc(C[N@H+]2CCOCC3(CCOCC3)C2)c1O ZINC000184744908 286223179 /nfs/dbraw/zinc/22/31/79/286223179.db2.gz DVWJHRSFVOARBI-UHFFFAOYSA-N 1 1 341.835 2.683 20 10 EFCDMO COc1ccc(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)cn1 ZINC000085795064 544513323 /nfs/dbraw/zinc/51/33/23/544513323.db2.gz ALTRSJTWHQRYOP-QGZVFWFLSA-N 1 1 328.412 2.977 20 10 EFCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@@]2(O)CCc3ccccc32)c1 ZINC000273355818 274003508 /nfs/dbraw/zinc/00/35/08/274003508.db2.gz CRASDUCXKZBZSD-XCLFUZPHSA-N 1 1 341.407 2.663 20 10 EFCDMO C[C@@H](CN1CCN(C)CC1)[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000185392602 274218956 /nfs/dbraw/zinc/21/89/56/274218956.db2.gz FFIXQNQELFHQOX-HOTGVXAUSA-N 1 1 331.504 2.558 20 10 EFCDMO CCCOc1ccc(C[N@H+]2C[C@@H](C)OC3(CCOCC3)C2)c(O)c1 ZINC000280595622 276019590 /nfs/dbraw/zinc/01/95/90/276019590.db2.gz XTDFIXYKSQQAOU-OAHLLOKOSA-N 1 1 335.444 2.951 20 10 EFCDMO C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000186592563 278172242 /nfs/dbraw/zinc/17/22/42/278172242.db2.gz BPLQPCRVHXULMJ-ZIAGYGMSSA-N 1 1 325.884 2.722 20 10 EFCDMO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000298770899 279236602 /nfs/dbraw/zinc/23/66/02/279236602.db2.gz XHXHHONGRMLXLH-OALUTQOASA-N 1 1 344.503 2.911 20 10 EFCDMO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)c1ncnn1C ZINC000280513925 279491621 /nfs/dbraw/zinc/49/16/21/279491621.db2.gz HDFLQQVEBRWJQY-JTQLQIEISA-N 1 1 327.354 2.751 20 10 EFCDMO C[C@H](CN1CCN(C)CC1)[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000185392636 289604065 /nfs/dbraw/zinc/60/40/65/289604065.db2.gz FFIXQNQELFHQOX-CVEARBPZSA-N 1 1 331.504 2.558 20 10 EFCDMO COc1ccc(OC)c([C@@H](O)C[NH2+][C@@H](C)c2ccc(F)cc2O)c1 ZINC000184945949 473279488 /nfs/dbraw/zinc/27/94/88/473279488.db2.gz MEUCBMCVQPPUJL-GTNSWQLSSA-N 1 1 335.375 2.933 20 10 EFCDMO C[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1cc(Cl)ccc1[O-] ZINC000184983026 473292296 /nfs/dbraw/zinc/29/22/96/473292296.db2.gz JEMZXXZYDXJCRZ-ZDUSSCGKSA-N 1 1 325.884 2.722 20 10 EFCDMO CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])CC1 ZINC000185013696 473301763 /nfs/dbraw/zinc/30/17/63/473301763.db2.gz RUOMHXBUSLBMGN-AWEZNQCLSA-N 1 1 325.884 2.724 20 10 EFCDMO Cc1ccc(O)c([C@H](C)[NH2+]Cc2ccnc(N3CCN(C)CC3)c2)c1 ZINC000185041963 473310138 /nfs/dbraw/zinc/31/01/38/473310138.db2.gz PUENMRTYVWJOEV-INIZCTEOSA-N 1 1 340.471 2.698 20 10 EFCDMO FC(F)(F)c1cc(N2CCOCC2)ccc1C[NH2+]Cc1ncc[nH]1 ZINC000067694019 472073398 /nfs/dbraw/zinc/07/33/98/472073398.db2.gz TVQDKIGDJXBSLH-UHFFFAOYSA-N 1 1 340.349 2.555 20 10 EFCDMO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000068964573 472272021 /nfs/dbraw/zinc/27/20/21/472272021.db2.gz LOWNBKCKAUPAMK-ZIAGYGMSSA-N 1 1 348.443 2.638 20 10 EFCDMO CCCCCNC(=O)C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000096971096 472402788 /nfs/dbraw/zinc/40/27/88/472402788.db2.gz VCCRLRDEHXATIW-QGZVFWFLSA-N 1 1 334.460 2.680 20 10 EFCDMO CCCCCNC(=O)C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000096971096 472402793 /nfs/dbraw/zinc/40/27/93/472402793.db2.gz VCCRLRDEHXATIW-QGZVFWFLSA-N 1 1 334.460 2.680 20 10 EFCDMO CCOc1cccc(C[N@H+]2CCC[C@H]2C(=O)NCc2ccco2)c1O ZINC000128186773 472414510 /nfs/dbraw/zinc/41/45/10/472414510.db2.gz SGJBJMYFTHRRKC-INIZCTEOSA-N 1 1 344.411 2.665 20 10 EFCDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@H]2C(=O)NCc2ccco2)c1 ZINC000128246044 472424729 /nfs/dbraw/zinc/42/47/29/472424729.db2.gz PFRGFQPBZQTEAE-KRWDZBQOSA-N 1 1 344.411 2.665 20 10 EFCDMO CCCOc1ccc(C[NH+]2CCN(C(=O)C(C)(C)C)CC2)c(O)c1 ZINC000128333637 472437254 /nfs/dbraw/zinc/43/72/54/472437254.db2.gz DPQBBNPVTMWEFN-UHFFFAOYSA-N 1 1 334.460 2.871 20 10 EFCDMO C[C@@H]1SCC[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)[C@H]1C ZINC000118533865 472498425 /nfs/dbraw/zinc/49/84/25/472498425.db2.gz RUVCCAXCIAVGAT-GJZGRUSLSA-N 1 1 335.517 2.537 20 10 EFCDMO CC[N@@H+](Cc1cc(Br)ccc1O)[C@H]1CCCCNC1=O ZINC000119216558 472537348 /nfs/dbraw/zinc/53/73/48/472537348.db2.gz RIDDXXUPUMLQAZ-ZDUSSCGKSA-N 1 1 341.249 2.645 20 10 EFCDMO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@](C)(O)c1ccccc1 ZINC000119407375 472553979 /nfs/dbraw/zinc/55/39/79/472553979.db2.gz QNSFKCZCSCLGSR-NRFANRHFSA-N 1 1 340.467 2.863 20 10 EFCDMO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000129881721 472570464 /nfs/dbraw/zinc/57/04/64/472570464.db2.gz FPLLZXXWBVFYEF-NVXWUHKLSA-N 1 1 344.503 2.909 20 10 EFCDMO COc1cccc(CNC(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)c1O ZINC000130693072 472623446 /nfs/dbraw/zinc/62/34/46/472623446.db2.gz BHKNAGLQZKXLJT-OAHLLOKOSA-N 1 1 349.475 2.568 20 10 EFCDMO C[C@@H](CN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1)[N@H+](C)C1CC1 ZINC000131145419 472652628 /nfs/dbraw/zinc/65/26/28/472652628.db2.gz MLYVKAKRHMZYES-GJZGRUSLSA-N 1 1 335.467 2.796 20 10 EFCDMO C[C@@H](CN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1)[N@@H+](C)C1CC1 ZINC000131145419 472652635 /nfs/dbraw/zinc/65/26/35/472652635.db2.gz MLYVKAKRHMZYES-GJZGRUSLSA-N 1 1 335.467 2.796 20 10 EFCDMO CC[N@H+]1CCCC[C@H]1C(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000104289233 472664654 /nfs/dbraw/zinc/66/46/54/472664654.db2.gz QEILSOCOYDKPPN-IBGZPJMESA-N 1 1 345.487 2.608 20 10 EFCDMO Cc1nsc(N2CCC[N@H+](Cc3ccc(N(C)C)c(F)c3)CC2)n1 ZINC000131805547 472693887 /nfs/dbraw/zinc/69/38/87/472693887.db2.gz CRKGYHOWALWZSG-UHFFFAOYSA-N 1 1 349.479 2.764 20 10 EFCDMO C[C@H](NCC(C)(C)C[NH+](C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000132121505 472716011 /nfs/dbraw/zinc/71/60/11/472716011.db2.gz QBCIKPRSXNXQLP-HNNXBMFYSA-N 1 1 337.483 2.901 20 10 EFCDMO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H](C)CN2CCN(C)CC2)cc1 ZINC000120844713 472756183 /nfs/dbraw/zinc/75/61/83/472756183.db2.gz SGLXRGCLDJDWKG-MSOLQXFVSA-N 1 1 332.536 2.677 20 10 EFCDMO CC[C@H]([NH2+]C[C@H](C)CN1CCN(C)CC1)c1ccc(N(C)C)cc1 ZINC000120929445 472770229 /nfs/dbraw/zinc/77/02/29/472770229.db2.gz SUYINZUWFRNHRP-PXNSSMCTSA-N 1 1 332.536 2.677 20 10 EFCDMO c1cc([C@H]2CCC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)n[nH]1 ZINC000121216063 472817462 /nfs/dbraw/zinc/81/74/62/472817462.db2.gz NJLCLVWWXYOILD-KRWDZBQOSA-N 1 1 326.444 2.626 20 10 EFCDMO c1cc([C@H]2CCC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C2)[nH]n1 ZINC000121216063 472817465 /nfs/dbraw/zinc/81/74/65/472817465.db2.gz NJLCLVWWXYOILD-KRWDZBQOSA-N 1 1 326.444 2.626 20 10 EFCDMO c1cc([C@H]2CCC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)[nH]n1 ZINC000121216063 472817471 /nfs/dbraw/zinc/81/74/71/472817471.db2.gz NJLCLVWWXYOILD-KRWDZBQOSA-N 1 1 326.444 2.626 20 10 EFCDMO COc1cccc(CNC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)c1O ZINC000073677282 472851887 /nfs/dbraw/zinc/85/18/87/472851887.db2.gz OXQYBUPOYYJVSJ-OAHLLOKOSA-N 1 1 349.475 2.712 20 10 EFCDMO Cc1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)on1 ZINC000134258378 472890225 /nfs/dbraw/zinc/89/02/25/472890225.db2.gz LJMHIPOYJNONEM-CQSZACIVSA-N 1 1 349.818 2.736 20 10 EFCDMO Cc1cc(C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)on1 ZINC000134258378 472890231 /nfs/dbraw/zinc/89/02/31/472890231.db2.gz LJMHIPOYJNONEM-CQSZACIVSA-N 1 1 349.818 2.736 20 10 EFCDMO [O-]c1c(Br)cccc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000048797070 472910809 /nfs/dbraw/zinc/91/08/09/472910809.db2.gz QJXAFMDXGRYUDD-UHFFFAOYSA-N 1 1 325.250 2.871 20 10 EFCDMO Cc1ccc(O)c(C[N@H+](C)[C@@H](C)c2cccc(S(N)(=O)=O)c2)c1 ZINC000092585738 472940376 /nfs/dbraw/zinc/94/03/76/472940376.db2.gz VCQASROAIDEVGO-ZDUSSCGKSA-N 1 1 334.441 2.541 20 10 EFCDMO CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(OC)c2O)C1 ZINC000092731237 472973556 /nfs/dbraw/zinc/97/35/56/472973556.db2.gz HPMPKMFPJGXRAQ-HOCLYGCPSA-N 1 1 334.460 2.918 20 10 EFCDMO CCCNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(OCCC)cc2O)C1 ZINC000092734261 472975098 /nfs/dbraw/zinc/97/50/98/472975098.db2.gz NRDRCOCPLPCBSX-INIZCTEOSA-N 1 1 334.460 2.919 20 10 EFCDMO NC(=O)N1CCC[N@@H+](Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000092754087 472979528 /nfs/dbraw/zinc/97/95/28/472979528.db2.gz LQIZDXDJQSBIFI-UHFFFAOYSA-N 1 1 325.412 2.646 20 10 EFCDMO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](N3CCN(CC)CC3)C2)cc1 ZINC000093133346 473048138 /nfs/dbraw/zinc/04/81/38/473048138.db2.gz PFUVQAIZYLHKKJ-OAQYLSRUSA-N 1 1 344.547 2.745 20 10 EFCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@@H](N3CCN(CC)CC3)C2)cc1 ZINC000093133346 473048141 /nfs/dbraw/zinc/04/81/41/473048141.db2.gz PFUVQAIZYLHKKJ-OAQYLSRUSA-N 1 1 344.547 2.745 20 10 EFCDMO OCCC[N@@H+](Cc1cc2c(cc1O)OCO2)[C@@H]1CCc2ccccc21 ZINC000093389311 473100621 /nfs/dbraw/zinc/10/06/21/473100621.db2.gz WDHLMRGMAKLSKW-QGZVFWFLSA-N 1 1 341.407 2.993 20 10 EFCDMO OCC[N@@H+](Cc1cc2c(cc1O)OCO2)[C@@H]1CCc2ccccc21 ZINC000093388079 473100756 /nfs/dbraw/zinc/10/07/56/473100756.db2.gz WTHICHLGBWQVPN-MRXNPFEDSA-N 1 1 327.380 2.603 20 10 EFCDMO CCOCc1ccc(CNC(=O)C[N@@H+](C)Cc2ccccc2O)cc1 ZINC000109769735 473119403 /nfs/dbraw/zinc/11/94/03/473119403.db2.gz LVHWLLUGQBEVLS-UHFFFAOYSA-N 1 1 342.439 2.677 20 10 EFCDMO NC(=O)c1ccc(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)cc1 ZINC000109761911 473119532 /nfs/dbraw/zinc/11/95/32/473119532.db2.gz GKBLMTGUCYYVGL-GOSISDBHSA-N 1 1 340.423 2.672 20 10 EFCDMO CCC[N@@H+](Cc1ccccc1O)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000109836012 473127240 /nfs/dbraw/zinc/12/72/40/473127240.db2.gz HOIYQEGHYMLMGF-ZDUSSCGKSA-N 1 1 330.350 2.767 20 10 EFCDMO CCOc1cccc(C[N@@H+](C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)c1O ZINC000093646787 473130996 /nfs/dbraw/zinc/13/09/96/473130996.db2.gz NGMAHNAUUGUOBP-HOCLYGCPSA-N 1 1 341.473 2.579 20 10 EFCDMO C[NH+](C)CCOc1cc(C[NH2+]Cc2c([O-])cccc2Cl)ccn1 ZINC000136224403 473145507 /nfs/dbraw/zinc/14/55/07/473145507.db2.gz QYHABYJGHQTAJO-UHFFFAOYSA-N 1 1 335.835 2.671 20 10 EFCDMO C[C@@H]1CCCCN1C(=O)C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000123482191 473146224 /nfs/dbraw/zinc/14/62/24/473146224.db2.gz KXDGKFVKKSRSBE-AEFFLSMTSA-N 1 1 346.471 2.774 20 10 EFCDMO Oc1ccccc1C[N@@H+](C[C@@H](O)Cc1ccccc1)C[C@@H]1CCCO1 ZINC000111232937 473197790 /nfs/dbraw/zinc/19/77/90/473197790.db2.gz NIHWEDKGRSLJJJ-PMACEKPBSA-N 1 1 341.451 2.977 20 10 EFCDMO Cc1cc2ncn(C[C@@H](O)C[N@H+](C)Cc3ccccc3O)c2cc1C ZINC000111235768 473197915 /nfs/dbraw/zinc/19/79/15/473197915.db2.gz ZVRXYZAMKCMRTN-KRWDZBQOSA-N 1 1 339.439 2.852 20 10 EFCDMO COC(=O)c1coc(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)c1 ZINC000111232940 473197937 /nfs/dbraw/zinc/19/79/37/473197937.db2.gz GPPXSANBSRRJMU-MRXNPFEDSA-N 1 1 345.395 2.953 20 10 EFCDMO C[C@H](C[NH2+][C@H](C)c1cc2c(cc1O)CCCC2)N1CCN(C)CC1 ZINC000185365635 473406214 /nfs/dbraw/zinc/40/62/14/473406214.db2.gz ZRRYAPXZALVFHK-HZPDHXFCSA-N 1 1 331.504 2.558 20 10 EFCDMO C[C@H](C[NH2+][C@H](C)c1ccc2ccccc2c1O)N1CCN(C)CC1 ZINC000185364558 473406619 /nfs/dbraw/zinc/40/66/19/473406619.db2.gz AIVOLFJFRGBWGR-HZPDHXFCSA-N 1 1 327.472 2.832 20 10 EFCDMO C[C@H](CN1CCN(C)CC1)[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000185392667 473414603 /nfs/dbraw/zinc/41/46/03/473414603.db2.gz FFIXQNQELFHQOX-HZPDHXFCSA-N 1 1 331.504 2.558 20 10 EFCDMO C[C@H](CN1CCN(C)CC1)[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000185392488 473414719 /nfs/dbraw/zinc/41/47/19/473414719.db2.gz MXVLQJVZBSXBOG-HZPDHXFCSA-N 1 1 327.472 2.832 20 10 EFCDMO COc1cccc(C[NH+]2CCN([C@@H](C)c3nccs3)CC2)c1O ZINC000185609360 473467308 /nfs/dbraw/zinc/46/73/08/473467308.db2.gz LJEGTFOVWNMMCC-ZDUSSCGKSA-N 1 1 333.457 2.736 20 10 EFCDMO CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1c(O)ccc(Cl)c1F)CC2 ZINC000191394975 473534790 /nfs/dbraw/zinc/53/47/90/473534790.db2.gz KAMMYISJZUBXGG-CABCVRRESA-N 1 1 343.826 2.937 20 10 EFCDMO CC[C@H](C)[N@@H+](C)CCNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000126719866 473539917 /nfs/dbraw/zinc/53/99/17/473539917.db2.gz CQYSEDWYVAMVQY-INIZCTEOSA-N 1 1 330.476 2.592 20 10 EFCDMO Cc1ccc(N2CCC(C(=O)NCCc3ccc(N)cc3)CC2)[nH+]c1 ZINC000152485814 473567965 /nfs/dbraw/zinc/56/79/65/473567965.db2.gz CICQRAQTLWQUDT-UHFFFAOYSA-N 1 1 338.455 2.548 20 10 EFCDMO C[C@H]1CCN(C(=O)Cc2ccc(N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000178840852 473575847 /nfs/dbraw/zinc/57/58/47/473575847.db2.gz DKKLWWNZWUDOBH-KRWDZBQOSA-N 1 1 337.467 2.934 20 10 EFCDMO CN(C)c1ccc(C[N@@H+](C)C[C@H](O)COCc2ccccc2)cc1 ZINC000127475713 473617329 /nfs/dbraw/zinc/61/73/29/473617329.db2.gz XNAIPKOVQJNODW-FQEVSTJZSA-N 1 1 328.456 2.762 20 10 EFCDMO C[C@@H]1C[C@@H](NC(=O)NCc2c(O)ccc3c2CCCC3)C[N@H+]1C1CC1 ZINC000127564817 473626183 /nfs/dbraw/zinc/62/61/83/473626183.db2.gz OMQYQJCCZBMWKW-UKRRQHHQSA-N 1 1 343.471 2.695 20 10 EFCDMO C[C@H]1C[C@@H](NC(=O)NCc2c(O)ccc3c2CCCC3)C[N@H+]1C1CC1 ZINC000127565052 473626767 /nfs/dbraw/zinc/62/67/67/473626767.db2.gz OMQYQJCCZBMWKW-DZGCQCFKSA-N 1 1 343.471 2.695 20 10 EFCDMO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000186433489 473674305 /nfs/dbraw/zinc/67/43/05/473674305.db2.gz NIMKGFIXYPTROX-ZBFHGGJFSA-N 1 1 346.471 2.800 20 10 EFCDMO O=C(c1cccc(F)c1)N1CCC[N@H+](Cc2ccccc2O)CC1 ZINC000179556520 473694853 /nfs/dbraw/zinc/69/48/53/473694853.db2.gz UQAXBFKUTABTLP-UHFFFAOYSA-N 1 1 328.387 2.879 20 10 EFCDMO C[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1cc(Cl)ccc1[O-] ZINC000186592542 473695543 /nfs/dbraw/zinc/69/55/43/473695543.db2.gz BPLQPCRVHXULMJ-UONOGXRCSA-N 1 1 325.884 2.722 20 10 EFCDMO CCCC[N@@H+](Cc1cccc(OCC)c1O)[C@H]1CCS(=O)(=O)C1 ZINC000179612790 473698476 /nfs/dbraw/zinc/69/84/76/473698476.db2.gz XKMLTSZXLOAAPH-HNNXBMFYSA-N 1 1 341.473 2.580 20 10 EFCDMO COc1ccc(O)c(C[N@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000179704426 473709543 /nfs/dbraw/zinc/70/95/43/473709543.db2.gz HVKBSCUUTNOHNX-CQSZACIVSA-N 1 1 336.432 2.890 20 10 EFCDMO COc1cccc(C[N@H+]2CCC[C@@H](c3nnc4ccccn43)C2)c1O ZINC000179780010 473725016 /nfs/dbraw/zinc/72/50/16/473725016.db2.gz AESKMCKFUNXEAK-OAHLLOKOSA-N 1 1 338.411 2.823 20 10 EFCDMO CCOc1ccc(O)c(C[NH+]2CCN(Cc3csc(C)n3)CC2)c1 ZINC000179877142 473746499 /nfs/dbraw/zinc/74/64/99/473746499.db2.gz RSGCTEMUMJERHZ-UHFFFAOYSA-N 1 1 347.484 2.874 20 10 EFCDMO COc1ccc(C[N@@H+](CCO)Cc2cc(F)ccc2O)c(OC)c1 ZINC000180147844 473810124 /nfs/dbraw/zinc/81/01/24/473810124.db2.gz SIHKCWODJNBSHL-UHFFFAOYSA-N 1 1 335.375 2.543 20 10 EFCDMO Oc1ccc(F)cc1C[NH+]1CCN(Cc2ccc(Cl)nc2)CC1 ZINC000180174426 473819287 /nfs/dbraw/zinc/81/92/87/473819287.db2.gz MJFODLDSOVWVCT-UHFFFAOYSA-N 1 1 335.810 2.898 20 10 EFCDMO C[C@H]1C[C@@H](NC(=O)c2cccc(O)c2O)CC[N@H+]1Cc1ccccc1 ZINC000187171189 473830226 /nfs/dbraw/zinc/83/02/26/473830226.db2.gz JYCLSZKVYNFZMK-HOCLYGCPSA-N 1 1 340.423 2.881 20 10 EFCDMO C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(F)c(F)c1[O-] ZINC000187714066 473908002 /nfs/dbraw/zinc/90/80/02/473908002.db2.gz LZJWTYQLWYDPSP-QWHCGFSZSA-N 1 1 328.403 2.558 20 10 EFCDMO C[N@@H+]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)[C@H](c2ccccc2)C1 ZINC000180618836 473921220 /nfs/dbraw/zinc/92/12/20/473921220.db2.gz AUSLKQMTCAITDO-VMSUTVGLSA-N 1 1 338.407 2.626 20 10 EFCDMO C[N@H+]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)[C@H](c2ccccc2)C1 ZINC000180618836 473921227 /nfs/dbraw/zinc/92/12/27/473921227.db2.gz AUSLKQMTCAITDO-VMSUTVGLSA-N 1 1 338.407 2.626 20 10 EFCDMO Cc1cc([C@H](C)[NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)nn1C ZINC000282078554 473938562 /nfs/dbraw/zinc/93/85/62/473938562.db2.gz HLFIYYFVZVEGFF-INIZCTEOSA-N 1 1 342.487 2.788 20 10 EFCDMO Cc1cc(C(=O)NC[C@@H]2CC[N@H+](C)C2)c(C)n1-c1ccc(F)cc1 ZINC000264365105 473964029 /nfs/dbraw/zinc/96/40/29/473964029.db2.gz VVQRHSRUPILFNX-HNNXBMFYSA-N 1 1 329.419 2.915 20 10 EFCDMO CCCN(Cc1ccccc1O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000264495096 474013435 /nfs/dbraw/zinc/01/34/35/474013435.db2.gz FNUTVCFIWJDGLS-IRXDYDNUSA-N 1 1 331.460 2.941 20 10 EFCDMO COc1cccc(C[NH+]2CCN(C(=O)c3ccc(C)cc3)CC2)c1O ZINC000181415609 474033465 /nfs/dbraw/zinc/03/34/65/474033465.db2.gz GLWOTFUEMOTPMZ-UHFFFAOYSA-N 1 1 340.423 2.667 20 10 EFCDMO O=C(NCC(F)(F)F)[C@H]1CC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000275125842 474078812 /nfs/dbraw/zinc/07/88/12/474078812.db2.gz IXTHVPXOOZSYQA-JTQLQIEISA-N 1 1 336.741 2.546 20 10 EFCDMO O=C(NCC(F)(F)F)[C@H]1CC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000275132696 474079941 /nfs/dbraw/zinc/07/99/41/474079941.db2.gz KYBPRHMAIIIIFB-VIFPVBQESA-N 1 1 336.741 2.546 20 10 EFCDMO C[C@H]([NH2+]Cc1ncnn1C(C)(C)C)c1ccc(N2CCOCC2)cc1 ZINC000282486792 474084518 /nfs/dbraw/zinc/08/45/18/474084518.db2.gz HLBOOXYYGWYWSG-HNNXBMFYSA-N 1 1 343.475 2.721 20 10 EFCDMO COc1cc(O)c(C[N@H+]2CCC[C@H](Cc3nccn3C)C2)cc1OC ZINC000182087930 474097058 /nfs/dbraw/zinc/09/70/58/474097058.db2.gz CGTPOIAAHPUPDE-CQSZACIVSA-N 1 1 345.443 2.598 20 10 EFCDMO CCCC[N@@H+](C)CC1CCN(C(=O)c2ccc(C)c(O)c2O)CC1 ZINC000182437919 474175345 /nfs/dbraw/zinc/17/53/45/474175345.db2.gz JGCPCOQHUVMBJL-UHFFFAOYSA-N 1 1 334.460 2.990 20 10 EFCDMO FC(F)Oc1ccc(N2CCC[C@@H]([NH2+]Cc3csnn3)C2)cc1 ZINC000182495062 474190790 /nfs/dbraw/zinc/19/07/90/474190790.db2.gz WSBUZFKFYXXHJH-LLVKDONJSA-N 1 1 340.399 2.898 20 10 EFCDMO CC[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1nccn1C ZINC000182503819 474191585 /nfs/dbraw/zinc/19/15/85/474191585.db2.gz ANBHFFXVPJAECF-INIZCTEOSA-N 1 1 332.423 2.637 20 10 EFCDMO COCCO[C@H]1CC[N@@H+](Cc2cc(Br)cc(C)c2O)C1 ZINC000188824576 474208913 /nfs/dbraw/zinc/20/89/13/474208913.db2.gz CWJZUMLUTHXVOU-AWEZNQCLSA-N 1 1 344.249 2.700 20 10 EFCDMO COc1ccc(O)c(C[N@@H+](CCNC(C)=O)Cc2ccsc2)c1 ZINC000283016022 474273978 /nfs/dbraw/zinc/27/39/78/474273978.db2.gz LWUXKYITZDKUOV-UHFFFAOYSA-N 1 1 334.441 2.601 20 10 EFCDMO CC(C)(CNC(=O)Cc1ccc(N)cc1)[N@H+]1CCc2ccccc2C1 ZINC000236661546 474278359 /nfs/dbraw/zinc/27/83/59/474278359.db2.gz XXDRFJPGYDUKRR-UHFFFAOYSA-N 1 1 337.467 2.764 20 10 EFCDMO NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000182930757 474290293 /nfs/dbraw/zinc/29/02/93/474290293.db2.gz LENQWDMCVCYPGE-QGZVFWFLSA-N 1 1 340.423 2.669 20 10 EFCDMO CCOc1cccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c1O ZINC000289521187 474305838 /nfs/dbraw/zinc/30/58/38/474305838.db2.gz HDWLUYNPQPTXMQ-OLZOCXBDSA-N 1 1 333.350 2.784 20 10 EFCDMO C[C@H]([NH2+]CCCn1cc(CO)nn1)c1cc(Cl)c(Cl)cc1O ZINC000289591943 474336650 /nfs/dbraw/zinc/33/66/50/474336650.db2.gz CBHVJBBSOAKMGL-VIFPVBQESA-N 1 1 345.230 2.524 20 10 EFCDMO C[C@@H]([NH2+]CCCn1cc(CO)nn1)c1cc(Cl)c(Cl)cc1O ZINC000289591941 474337008 /nfs/dbraw/zinc/33/70/08/474337008.db2.gz CBHVJBBSOAKMGL-SECBINFHSA-N 1 1 345.230 2.524 20 10 EFCDMO CCc1ccc([C@H](O)C[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)cc1 ZINC000289644459 474359438 /nfs/dbraw/zinc/35/94/38/474359438.db2.gz XTXBUVXPJUOZKV-MRXNPFEDSA-N 1 1 346.383 2.695 20 10 EFCDMO C[C@@H]1C[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)CCC1(F)F ZINC000289658378 474364637 /nfs/dbraw/zinc/36/46/37/474364637.db2.gz FDJOMIFDDJRHDS-CQSZACIVSA-N 1 1 339.430 2.688 20 10 EFCDMO C[C@@H]1C[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)CCC1(F)F ZINC000289658378 474364642 /nfs/dbraw/zinc/36/46/42/474364642.db2.gz FDJOMIFDDJRHDS-CQSZACIVSA-N 1 1 339.430 2.688 20 10 EFCDMO C[C@H](c1ccccc1)[N@@H+](CCN1CCNC1=O)Cc1ccccc1O ZINC000289657534 474364841 /nfs/dbraw/zinc/36/48/41/474364841.db2.gz CRUUBXGPASOICJ-MRXNPFEDSA-N 1 1 339.439 2.981 20 10 EFCDMO Cc1cn[nH]c1C[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000289742348 474405881 /nfs/dbraw/zinc/40/58/81/474405881.db2.gz DZVKXVIEZVMMOU-OKILXGFUSA-N 1 1 332.423 2.761 20 10 EFCDMO Cc1c[nH]nc1C[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000289742348 474405888 /nfs/dbraw/zinc/40/58/88/474405888.db2.gz DZVKXVIEZVMMOU-OKILXGFUSA-N 1 1 332.423 2.761 20 10 EFCDMO CC[N@H+](Cc1cc(Br)ccc1O)C[C@@H](O)COC(C)C ZINC000266534845 474434495 /nfs/dbraw/zinc/43/44/95/474434495.db2.gz HASYQURUNNKNSR-CQSZACIVSA-N 1 1 346.265 2.763 20 10 EFCDMO COC(=O)CN(CC[C@H]1CCC[N@H+]1C)Cc1cc(Cl)ccc1O ZINC000271206697 474441151 /nfs/dbraw/zinc/44/11/51/474441151.db2.gz GLXQDZYSLXILPW-OAHLLOKOSA-N 1 1 340.851 2.505 20 10 EFCDMO CN(C)c1ccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)cc1F ZINC000289821478 474442505 /nfs/dbraw/zinc/44/25/05/474442505.db2.gz TYBCTVFKURGZKW-OLZOCXBDSA-N 1 1 334.357 2.884 20 10 EFCDMO CC(C)[NH+]1CCC(N2CCN(Cc3ccc(N(C)C)cc3)CC2)CC1 ZINC000271229683 474453294 /nfs/dbraw/zinc/45/32/94/474453294.db2.gz SYAZKETYKQLJCA-UHFFFAOYSA-N 1 1 344.547 2.743 20 10 EFCDMO CN(C)c1ccc(C[N@H+]2CCC[C@@H]([C@@H](O)c3nccn3C)C2)cc1F ZINC000271276144 474471155 /nfs/dbraw/zinc/47/11/55/474471155.db2.gz KZGNQEGQZIGJSU-CRAIPNDOSA-N 1 1 346.450 2.571 20 10 EFCDMO Nc1ccc(CC(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)cc1 ZINC000237887393 474495042 /nfs/dbraw/zinc/49/50/42/474495042.db2.gz FZZCPSIYHUAQAX-UHFFFAOYSA-N 1 1 329.488 2.926 20 10 EFCDMO CCCNC(=O)OC[C@H]1CCCC[N@H+]1Cc1cccc(OC)c1O ZINC000289942791 474496207 /nfs/dbraw/zinc/49/62/07/474496207.db2.gz XFKJHEUMTYNIRK-OAHLLOKOSA-N 1 1 336.432 2.892 20 10 EFCDMO CCOC(CC[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O)OCC ZINC000276609035 474568008 /nfs/dbraw/zinc/56/80/08/474568008.db2.gz ZAORVMMOLITIGP-LBPRGKRZSA-N 1 1 325.405 2.619 20 10 EFCDMO CC[C@H](C)c1nnc([C@@H](C)[NH2+]Cc2cc(OC)c(OC)cc2O)[nH]1 ZINC000276829233 474572087 /nfs/dbraw/zinc/57/20/87/474572087.db2.gz BIIZNMFGFPTLDL-WDEREUQCSA-N 1 1 334.420 2.892 20 10 EFCDMO CCc1nnc([C@H](C)[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)[nH]1 ZINC000271532834 474580802 /nfs/dbraw/zinc/58/08/02/474580802.db2.gz PVPGXSLSQZCJKG-KGLIPLIRSA-N 1 1 329.448 2.616 20 10 EFCDMO COc1ccc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)nc1 ZINC000271926489 474597929 /nfs/dbraw/zinc/59/79/29/474597929.db2.gz LKYOXZQRSJTGDP-SFHVURJKSA-N 1 1 328.412 2.977 20 10 EFCDMO CN(C)c1ccc(C[N@@H+](CCn2ccc([N+](=O)[O-])n2)C2CC2)cc1 ZINC000267156873 474604500 /nfs/dbraw/zinc/60/45/00/474604500.db2.gz DTRNYABZQDFZIJ-UHFFFAOYSA-N 1 1 329.404 2.522 20 10 EFCDMO Oc1cc2c(cc1C[N@H+]1CC[C@@]3(C1)OCc1ccccc13)OCO2 ZINC000184812062 474613127 /nfs/dbraw/zinc/61/31/27/474613127.db2.gz HGBLTDODRDYRRF-IBGZPJMESA-N 1 1 325.364 2.752 20 10 EFCDMO Cc1cc(C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)c(C)n1-c1ccccn1 ZINC000272751531 474624689 /nfs/dbraw/zinc/62/46/89/474624689.db2.gz OHTKAYAOLUHAHG-HNNXBMFYSA-N 1 1 338.455 2.869 20 10 EFCDMO CCN(CC)c1ccc(CNC(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)cc1 ZINC000272768747 474625331 /nfs/dbraw/zinc/62/53/31/474625331.db2.gz PUMHBYBWKANGPD-INIZCTEOSA-N 1 1 344.503 2.982 20 10 EFCDMO C[C@@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)C1=CC[N@@H+](C)CC1 ZINC000272759803 474625398 /nfs/dbraw/zinc/62/53/98/474625398.db2.gz OQZGLMODROAAKX-MRXNPFEDSA-N 1 1 340.471 2.512 20 10 EFCDMO Cc1cc(C)nc(N2CC[NH+](Cc3c(O)cccc3Cl)CC2)n1 ZINC000273002413 474665067 /nfs/dbraw/zinc/66/50/67/474665067.db2.gz ZQGGFUXTRMQOMQ-UHFFFAOYSA-N 1 1 332.835 2.775 20 10 EFCDMO COc1c(O)c(C[NH2+]CCc2nc(C)c(C)s2)ccc1[N+](=O)[O-] ZINC000278519880 474676676 /nfs/dbraw/zinc/67/66/76/474676676.db2.gz RQFGPAXQCPJLDI-UHFFFAOYSA-N 1 1 337.401 2.715 20 10 EFCDMO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)C12CCC2 ZINC000278524544 474680141 /nfs/dbraw/zinc/68/01/41/474680141.db2.gz SWGPXIITPYNHCU-UONOGXRCSA-N 1 1 336.388 2.746 20 10 EFCDMO CC(=O)c1cc(Cl)cc(CN2CCC(F)(F)[C@H](CO)C2)c1[O-] ZINC000291783554 474685188 /nfs/dbraw/zinc/68/51/88/474685188.db2.gz MJAURYKSNBXVQC-NSHDSACASA-N 1 1 333.762 2.698 20 10 EFCDMO COc1c(O)c(C[NH2+]C[C@@H](C)N2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000278558269 474700378 /nfs/dbraw/zinc/70/03/78/474700378.db2.gz BAJSXUQYCXUOIC-QWHCGFSZSA-N 1 1 337.420 2.519 20 10 EFCDMO COc1c([O-])c(C[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000278563395 474704318 /nfs/dbraw/zinc/70/43/18/474704318.db2.gz BPBXFXUUPHLBSR-ZDUSSCGKSA-N 1 1 337.420 2.519 20 10 EFCDMO CCOc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)cc1 ZINC000278563275 474705131 /nfs/dbraw/zinc/70/51/31/474705131.db2.gz BNCKZCVNMMGPFM-UHFFFAOYSA-N 1 1 332.356 2.998 20 10 EFCDMO C[C@H]([NH2+]Cc1nnc2n1CCC2)c1cc(Br)ccc1O ZINC000273082851 474706951 /nfs/dbraw/zinc/70/69/51/474706951.db2.gz MQUPPPIECVZPEP-VIFPVBQESA-N 1 1 337.221 2.543 20 10 EFCDMO COc1c(O)c(C[NH2+]Cc2ccc(N(C)C)c(F)c2)ccc1[N+](=O)[O-] ZINC000278568128 474707911 /nfs/dbraw/zinc/70/79/11/474707911.db2.gz CFBBZJARPUYWHT-UHFFFAOYSA-N 1 1 349.362 2.804 20 10 EFCDMO C[C@H]([NH2+]C[C@H]1CN(C)CCN1C)c1cc(Cl)c(Cl)cc1O ZINC000278644135 474752260 /nfs/dbraw/zinc/75/22/60/474752260.db2.gz HSRSZGGSFNISMY-QWRGUYRKSA-N 1 1 332.275 2.595 20 10 EFCDMO CCCN(Cc1ccccc1O)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000268113578 474805409 /nfs/dbraw/zinc/80/54/09/474805409.db2.gz DCGGEVNBAGTGBW-PBHICJAKSA-N 1 1 331.460 2.797 20 10 EFCDMO CCCN(Cc1ccccc1O)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000268113582 474805466 /nfs/dbraw/zinc/80/54/66/474805466.db2.gz DCGGEVNBAGTGBW-RHSMWYFYSA-N 1 1 331.460 2.797 20 10 EFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)c2ccc(OC)cc2)c1 ZINC000273363643 474859854 /nfs/dbraw/zinc/85/98/54/474859854.db2.gz DJUKUSJUFHSYBM-KPZWWZAWSA-N 1 1 345.395 2.572 20 10 EFCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)c2ccc(OC)cc2)c1 ZINC000273363653 474860442 /nfs/dbraw/zinc/86/04/42/474860442.db2.gz DJUKUSJUFHSYBM-XIKOKIGWSA-N 1 1 345.395 2.572 20 10 EFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCCN(C)CC(F)(F)F)c1 ZINC000273368795 474863594 /nfs/dbraw/zinc/86/35/94/474863594.db2.gz FOWIWFJWEADXMX-NSHDSACASA-N 1 1 348.365 2.714 20 10 EFCDMO Cc1ccc([C@H](C)[NH2+]C[C@@H](C(C)C)N2CCN(C)CC2)c(O)c1C ZINC000273389257 474874899 /nfs/dbraw/zinc/87/48/99/474874899.db2.gz KIZBDRQAWKFXGP-HKUYNNGSSA-N 1 1 333.520 2.932 20 10 EFCDMO CCn1cnnc1C[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000273391095 474875693 /nfs/dbraw/zinc/87/56/93/474875693.db2.gz KRIHGXJFTRVBQZ-VIFPVBQESA-N 1 1 325.210 2.617 20 10 EFCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)CCc2ccccc2)c1 ZINC000273427809 474892515 /nfs/dbraw/zinc/89/25/15/474892515.db2.gz KMDOVKXJKIOATL-RHSMWYFYSA-N 1 1 343.423 2.823 20 10 EFCDMO COc1c(O)c(C[NH2+]CCN(C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000278886402 474893541 /nfs/dbraw/zinc/89/35/41/474893541.db2.gz OYKPOGPSTVAXCK-UHFFFAOYSA-N 1 1 331.372 2.535 20 10 EFCDMO COc1ccc(OC)c(C[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)c1 ZINC000278884664 474893871 /nfs/dbraw/zinc/89/38/71/474893871.db2.gz OQKZELUSMWTYLD-UHFFFAOYSA-N 1 1 348.355 2.616 20 10 EFCDMO Cc1cc(C[N@H+]2CCC[C@@H]2C(=O)NCc2ccco2)ccc1N(C)C ZINC000293263752 474897617 /nfs/dbraw/zinc/89/76/17/474897617.db2.gz XOQOPKYLJRANPG-LJQANCHMSA-N 1 1 341.455 2.935 20 10 EFCDMO COc1c(O)c(C[NH2+][C@@H]2CCc3c2cccc3O)ccc1[N+](=O)[O-] ZINC000278897412 474901068 /nfs/dbraw/zinc/90/10/68/474901068.db2.gz QQPYVQKRVLMRBZ-CYBMUJFWSA-N 1 1 330.340 2.792 20 10 EFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@](C)(O)c2ccc(F)cc2)c1 ZINC000273525985 474944736 /nfs/dbraw/zinc/94/47/36/474944736.db2.gz VGRAXNJBCDPHNJ-BUXKBTBVSA-N 1 1 347.386 2.876 20 10 EFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CC(=O)N(C)C2CCCCC2)c1 ZINC000273551164 474958626 /nfs/dbraw/zinc/95/86/26/474958626.db2.gz FZDYKJGAVXNANJ-ZDUSSCGKSA-N 1 1 348.443 2.621 20 10 EFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@](C)(O)c2cccs2)c1 ZINC000273588267 474976976 /nfs/dbraw/zinc/97/69/76/474976976.db2.gz OJRXIXXSFOWAIU-GTNSWQLSSA-N 1 1 335.425 2.799 20 10 EFCDMO C[C@]1(C(N)=O)CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000280298659 475019602 /nfs/dbraw/zinc/01/96/02/475019602.db2.gz ORUVJSXYXHSREP-FQEVSTJZSA-N 1 1 340.423 2.669 20 10 EFCDMO CN(C)c1ccc(C[N@H+]2CCC[C@@H](OCCO)C2)c(C(F)(F)F)c1 ZINC000280381296 475022571 /nfs/dbraw/zinc/02/25/71/475022571.db2.gz WDMLBSDZGYGXKT-OAHLLOKOSA-N 1 1 346.393 2.745 20 10 EFCDMO C[C@@H]([NH2+]CC(=O)NCC(F)F)c1cc(Cl)c(Cl)cc1O ZINC000280427994 475026357 /nfs/dbraw/zinc/02/63/57/475026357.db2.gz BROJDSRVGNEKLH-ZCFIWIBFSA-N 1 1 327.158 2.731 20 10 EFCDMO CCCOc1ccc(C[N@H+]2C[C@H](C)OC3(CCOCC3)C2)c(O)c1 ZINC000280595604 475036753 /nfs/dbraw/zinc/03/67/53/475036753.db2.gz XTDFIXYKSQQAOU-HNNXBMFYSA-N 1 1 335.444 2.951 20 10 EFCDMO C[C@H](N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(N2CCOCC2)c(F)c1 ZINC000268780994 475041281 /nfs/dbraw/zinc/04/12/81/475041281.db2.gz PTLAEUCFCQHRSE-QKYXUNIQSA-N 1 1 347.478 2.940 20 10 EFCDMO C[C@H]([NH2+][C@@H]1CCN2CCCC[C@H]12)c1ccc(N2CCOCC2)c(F)c1 ZINC000268780994 475041285 /nfs/dbraw/zinc/04/12/85/475041285.db2.gz PTLAEUCFCQHRSE-QKYXUNIQSA-N 1 1 347.478 2.940 20 10 EFCDMO CCN1CCN(c2ccc(C[NH2+][C@H]3CCOC3(C)C)cc2F)CC1 ZINC000293644012 475044828 /nfs/dbraw/zinc/04/48/28/475044828.db2.gz IHMCIWNBBDPKDE-SFHVURJKSA-N 1 1 335.467 2.625 20 10 EFCDMO O=C(NC1CC1)N[C@@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000273768528 475049334 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20 10 EFCDMO CCCC[N@@H+](CC(N)=O)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000768867858 577311800 /nfs/dbraw/zinc/31/18/00/577311800.db2.gz KMVLYTZMAUXGTL-UHFFFAOYSA-N 1 1 348.447 2.673 20 10 EFCDMO Cc1ccc(C(=O)OCC[N@H+](C)Cc2ccc(F)cc2)c(O)c1O ZINC000769095948 577333827 /nfs/dbraw/zinc/33/38/27/577333827.db2.gz SRVBOTLWHOSKEN-UHFFFAOYSA-N 1 1 333.359 2.834 20 10 EFCDMO CCOc1ccc(C[N@@H+](C)C[C@H](O)COCc2ccccc2)c(O)c1 ZINC000769099284 577334221 /nfs/dbraw/zinc/33/42/21/577334221.db2.gz CIHOYMRMMFGPNE-SFHVURJKSA-N 1 1 345.439 2.800 20 10 EFCDMO COc1cccc(O)c1C[N@H+]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000769194516 577343580 /nfs/dbraw/zinc/34/35/80/577343580.db2.gz HEAGGMBMRWVOFR-CYBMUJFWSA-N 1 1 336.432 2.747 20 10 EFCDMO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2c(O)cccc2OC)C1 ZINC000769209846 577344777 /nfs/dbraw/zinc/34/47/77/577344777.db2.gz NOPCZUCWEWWHOY-CABCVRRESA-N 1 1 334.460 2.918 20 10 EFCDMO CC(C)(O)CN1CC[NH+](Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000769301398 577350536 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CCOc1ccc(C[N@H+](C)CC(=O)NCc2ccccc2)c(O)c1 ZINC000769465650 577364190 /nfs/dbraw/zinc/36/41/90/577364190.db2.gz APMQZUZQPXHDPW-UHFFFAOYSA-N 1 1 328.412 2.539 20 10 EFCDMO CCOc1ccc(C[N@@H+](C)CC(=O)NCc2ccccc2)c(O)c1 ZINC000769465650 577364192 /nfs/dbraw/zinc/36/41/92/577364192.db2.gz APMQZUZQPXHDPW-UHFFFAOYSA-N 1 1 328.412 2.539 20 10 EFCDMO CCOc1cccc(C[N@H+](C)CC(=O)NCc2ccccc2)c1O ZINC000769467309 577364609 /nfs/dbraw/zinc/36/46/09/577364609.db2.gz SWBNMLZYHCLFLT-UHFFFAOYSA-N 1 1 328.412 2.539 20 10 EFCDMO CCOc1cccc(C[N@@H+](C)CC(=O)NCc2ccccc2)c1O ZINC000769467309 577364610 /nfs/dbraw/zinc/36/46/10/577364610.db2.gz SWBNMLZYHCLFLT-UHFFFAOYSA-N 1 1 328.412 2.539 20 10 EFCDMO CC[N@H+]1C[C@H](C)N(Cc2ccc(N3CCOCC3)c(F)c2)C[C@H]1C ZINC000769467818 577364803 /nfs/dbraw/zinc/36/48/03/577364803.db2.gz ZKYKMBSOYZPHSJ-CVEARBPZSA-N 1 1 335.467 2.577 20 10 EFCDMO CCOC(=O)C1([N@@H+](C)Cc2cc3c(cc2O)OCO3)CCCCC1 ZINC000769502826 577367993 /nfs/dbraw/zinc/36/79/93/577367993.db2.gz 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CCc1nnc([C@@H](C)[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)[nH]1 ZINC000773142705 581400473 /nfs/dbraw/zinc/40/04/73/581400473.db2.gz ZTQMPSIQGGCKEC-QWHCGFSZSA-N 1 1 347.438 2.755 20 10 EFCDMO C[C@@H](NC(=O)NCC[N@@H+](C)C1CCCC1)c1ccc(N(C)C)cc1 ZINC000773271108 581412784 /nfs/dbraw/zinc/41/27/84/581412784.db2.gz BRQZZYGWZYIUNM-OAHLLOKOSA-N 1 1 332.492 2.987 20 10 EFCDMO CN(C)c1ccc(C[N@H+](C)Cn2c(=O)oc3ccc(F)cc32)cc1 ZINC000773283606 581413793 /nfs/dbraw/zinc/41/37/93/581413793.db2.gz JDLQMPJGOSOEDG-UHFFFAOYSA-N 1 1 329.375 2.889 20 10 EFCDMO CN(C)c1ccc(C[N@@H+](C)Cn2c(=O)oc3ccc(F)cc32)cc1 ZINC000773283606 581413794 /nfs/dbraw/zinc/41/37/94/581413794.db2.gz JDLQMPJGOSOEDG-UHFFFAOYSA-N 1 1 329.375 2.889 20 10 EFCDMO C[C@H](NC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1)c1ccc(N(C)C)cc1 ZINC000773314610 581417471 /nfs/dbraw/zinc/41/74/71/581417471.db2.gz KMAYBVYSBGUDQC-YOEHRIQHSA-N 1 1 330.476 2.597 20 10 EFCDMO C[C@H](NC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(N(C)C)cc1 ZINC000773365828 581423534 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EFCDMO CCO[C@H]1C[C@@H]([N@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2O)C1(C)C ZINC000774904061 581503750 /nfs/dbraw/zinc/50/37/50/581503750.db2.gz PBYJPCOFNSCRLA-KGLIPLIRSA-N 1 1 338.404 2.944 20 10 EFCDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2O)C1(C)C ZINC000774904061 581503751 /nfs/dbraw/zinc/50/37/51/581503751.db2.gz PBYJPCOFNSCRLA-KGLIPLIRSA-N 1 1 338.404 2.944 20 10 EFCDMO CC(C)n1ccnc1C[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000850072559 1250258930 /nfs/dbraw/zinc/25/89/30/1250258930.db2.gz BSEDXTBIRJZWSG-UHFFFAOYSA-N 1 1 346.450 2.854 20 10 EFCDMO C[C@H](C[NH+]1CCC(C)CC1)NCc1ccc(N2CCOCC2)cc1 ZINC000850386970 1250458661 /nfs/dbraw/zinc/45/86/61/1250458661.db2.gz NPGRTABEBNBGIH-GOSISDBHSA-N 1 1 331.504 2.733 20 10 EFCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2c(C3CC3)cnn2C)c1 ZINC000850534197 1250526272 /nfs/dbraw/zinc/52/62/72/1250526272.db2.gz GQRYCXJOHCWDSI-LLVKDONJSA-N 1 1 329.400 2.641 20 10 EFCDMO CCC[N@@H+]1CC[C@H](N[C@H](C)c2ccc(N3CCOCC3)c(F)c2)C1 ZINC000850556060 1250535053 /nfs/dbraw/zinc/53/50/53/1250535053.db2.gz QJFJHZHCJFISHZ-WBVHZDCISA-N 1 1 335.467 2.797 20 10 EFCDMO CCC[N@H+]1CC[C@H](N[C@H](C)c2ccc(N3CCOCC3)c(F)c2)C1 ZINC000850556060 1250535061 /nfs/dbraw/zinc/53/50/61/1250535061.db2.gz QJFJHZHCJFISHZ-WBVHZDCISA-N 1 1 335.467 2.797 20 10 EFCDMO CCc1nc(N2CC=C(CCNC(=O)[C@@H]3C[C@@H]3C)CC2)cc(C)[nH+]1 ZINC001089802196 1252760888 /nfs/dbraw/zinc/76/08/88/1252760888.db2.gz IFZCZGHANBIROW-XJKSGUPXSA-N 1 1 328.460 2.646 20 10 EFCDMO C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)c1cccc(O)c1O ZINC000185889041 1253320077 /nfs/dbraw/zinc/32/00/77/1253320077.db2.gz HRGZSIROCMRUNG-UHFFFAOYSA-N 1 1 328.412 2.738 20 10 EFCDMO CC(C)=CCN1CC[C@]2(CC[N@H+](Cc3cccc(F)c3O)C2)C1=O ZINC001273303627 1265999744 /nfs/dbraw/zinc/99/97/44/1265999744.db2.gz MXTVFFNMCOISAX-IBGZPJMESA-N 1 1 332.419 2.922 20 10 EFCDMO CC(C)=CCN1CC[C@]2(CC[N@@H+](Cc3cccc(F)c3O)C2)C1=O ZINC001273303627 1265999758 /nfs/dbraw/zinc/99/97/58/1265999758.db2.gz MXTVFFNMCOISAX-IBGZPJMESA-N 1 1 332.419 2.922 20 10 EFCDMO O=C1N(C2CCCC2)CC[C@]12CC[N@@H+](Cc1cccc(F)c1O)C2 ZINC001273304936 1266113646 /nfs/dbraw/zinc/11/36/46/1266113646.db2.gz VDBCEFDFTXOXPY-IBGZPJMESA-N 1 1 332.419 2.898 20 10 EFCDMO O=C1N(C2CCCC2)CC[C@]12CC[N@H+](Cc1cccc(F)c1O)C2 ZINC001273304936 1266113652 /nfs/dbraw/zinc/11/36/52/1266113652.db2.gz VDBCEFDFTXOXPY-IBGZPJMESA-N 1 1 332.419 2.898 20 10 EFCDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)Cc1ccc(N)cc1 ZINC000708507672 1259756957 /nfs/dbraw/zinc/75/69/57/1259756957.db2.gz VVUVTSJAHRCYOI-LPHOPBHVSA-N 1 1 337.467 2.696 20 10 EFCDMO O=C1N(CC2CCCC2)CC[C@]12CCC[N@H+]2Cc1ccc(O)c(O)c1 ZINC001272902469 1261292782 /nfs/dbraw/zinc/29/27/82/1261292782.db2.gz DDHZPBKMWNSKAH-HXUWFJFHSA-N 1 1 344.455 2.855 20 10 EFCDMO O=C1N(CC2CCCC2)CC[C@]12CCC[N@@H+]2Cc1ccc(O)c(O)c1 ZINC001272902469 1261292787 /nfs/dbraw/zinc/29/27/87/1261292787.db2.gz DDHZPBKMWNSKAH-HXUWFJFHSA-N 1 1 344.455 2.855 20 10 EFCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@@]3(CC(=O)N(C)C3=O)C2)cc1 ZINC001272916349 1261326095 /nfs/dbraw/zinc/32/60/95/1261326095.db2.gz GCGNSNDNPKFRJJ-HXUWFJFHSA-N 1 1 343.471 2.504 20 10 EFCDMO CCCCN1CC[C@@]2(CC[N@@H+](Cc3ccc(N(C)C)cc3)C2)C1=O ZINC001272916453 1261326940 /nfs/dbraw/zinc/32/69/40/1261326940.db2.gz IJMZFXJOGMJLIJ-HXUWFJFHSA-N 1 1 329.488 2.977 20 10 EFCDMO CC(C)CN1CC[C@]2(CCC[N@H+]2Cc2ccc(N(C)C)cc2)C1=O ZINC001272916760 1261327685 /nfs/dbraw/zinc/32/76/85/1261327685.db2.gz LDYCXLCAUYEQTA-HXUWFJFHSA-N 1 1 329.488 2.976 20 10 EFCDMO CC(C)(C)c1cccc(C[N@H+]2CCOC[C@](O)(C(F)(F)F)C2)c1O ZINC001143103579 1264215530 /nfs/dbraw/zinc/21/55/30/1264215530.db2.gz FVBNEYRAXKIYKR-INIZCTEOSA-N 1 1 347.377 2.815 20 10 EFCDMO CCCCN1C(=O)C[C@]2(CCC[N@@H+](Cc3c([O-])cccc3F)C2)C1=O ZINC001273266446 1265248160 /nfs/dbraw/zinc/24/81/60/1265248160.db2.gz YBQBICFIZXGWHY-IBGZPJMESA-N 1 1 348.418 2.673 20 10 EFCDMO CCCCN1C(=O)C[C@]2(CCC[N@H+](Cc3c(O)cccc3F)C2)C1=O ZINC001273266446 1265248168 /nfs/dbraw/zinc/24/81/68/1265248168.db2.gz YBQBICFIZXGWHY-IBGZPJMESA-N 1 1 348.418 2.673 20 10 EFCDMO CCCCN1C(=O)C[C@]2(CCC[N@@H+](Cc3c(O)cccc3F)C2)C1=O ZINC001273266446 1265248176 /nfs/dbraw/zinc/24/81/76/1265248176.db2.gz YBQBICFIZXGWHY-IBGZPJMESA-N 1 1 348.418 2.673 20 10 EFCDMO C[C@@H]([NH2+][C@@H](C)CCN1CCN(C)CC1)c1cc2c(cc1O)CCCC2 ZINC000186582414 1266786065 /nfs/dbraw/zinc/78/60/65/1266786065.db2.gz SOZAPVSEXPVEMC-DLBZAZTESA-N 1 1 345.531 2.948 20 10 EFCDMO CN1CCN(c2ccc(C[NH2+]C[C@@H]3CCOC4(CCC4)C3)cc2)CC1 ZINC000824750248 1278282287 /nfs/dbraw/zinc/28/22/87/1278282287.db2.gz FRUCBIYNRAYQFX-LJQANCHMSA-N 1 1 343.515 2.877 20 10 EFCDMO COc1c(O)c(C[NH2+]C[C@@H]2CCOC3(CCC3)C2)ccc1[N+](=O)[O-] ZINC000824751347 1278282467 /nfs/dbraw/zinc/28/24/67/1278282467.db2.gz UIRUIIOWQSLKEC-GFCCVEGCSA-N 1 1 336.388 2.748 20 10 EFCDMO Cc1cc(O)c(CN2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc1Cl ZINC000824761809 1278286566 /nfs/dbraw/zinc/28/65/66/1278286566.db2.gz KKKSCYOWEJDMDS-INIZCTEOSA-N 1 1 337.895 2.566 20 10 EFCDMO CC[N@H+](Cc1cc(Cl)c(C)cc1O)[C@H](C)CS(=O)(=O)CC ZINC000824814343 1278297081 /nfs/dbraw/zinc/29/70/81/1278297081.db2.gz PPPLNROSIVOAFL-GFCCVEGCSA-N 1 1 333.881 2.999 20 10 EFCDMO CC[N@@H+](Cc1cc(Cl)c(C)cc1O)[C@H](C)CS(=O)(=O)CC ZINC000824814343 1278297093 /nfs/dbraw/zinc/29/70/93/1278297093.db2.gz PPPLNROSIVOAFL-GFCCVEGCSA-N 1 1 333.881 2.999 20 10 EFCDMO CC[N@H+]1CCC[C@@H](CNC(=O)NCc2ccc(N(C)C)cc2C)C1 ZINC000734667662 1267070214 /nfs/dbraw/zinc/07/02/14/1267070214.db2.gz KVHQUKISPUVXOS-INIZCTEOSA-N 1 1 332.492 2.592 20 10 EFCDMO Cc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)c1O ZINC000824832436 1278324468 /nfs/dbraw/zinc/32/44/68/1278324468.db2.gz YLIXHVDQECYZJJ-OCCSQVGLSA-N 1 1 342.361 2.543 20 10 EFCDMO Fc1cc(C[N@H+]2CCSC[C@H]2C2CC2)ccc1N1CCOCC1 ZINC000824914805 1278341179 /nfs/dbraw/zinc/34/11/79/1278341179.db2.gz ZPVOPDONEOJTSM-SFHVURJKSA-N 1 1 336.476 2.990 20 10 EFCDMO COc1c(O)c(C[N@H+](C)[C@@H](CO)CC(C)(C)C)ccc1[N+](=O)[O-] ZINC000825045804 1278395123 /nfs/dbraw/zinc/39/51/23/1278395123.db2.gz LSIFHLOJRHTARA-GFCCVEGCSA-N 1 1 326.393 2.538 20 10 EFCDMO COc1c(O)c(C[N@@H+](C)[C@@H](CO)CC(C)(C)C)ccc1[N+](=O)[O-] ZINC000825045804 1278395132 /nfs/dbraw/zinc/39/51/32/1278395132.db2.gz LSIFHLOJRHTARA-GFCCVEGCSA-N 1 1 326.393 2.538 20 10 EFCDMO CO[C@H]1C[C@@H]([N@H+](C)Cc2ccc(N3CCN(C)CC3)cc2)C12CCC2 ZINC000825104219 1278399395 /nfs/dbraw/zinc/39/93/95/1278399395.db2.gz RGMYYMVQTMHWCE-UXHICEINSA-N 1 1 343.515 2.828 20 10 EFCDMO CO[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(N3CCN(C)CC3)cc2)C12CCC2 ZINC000825104219 1278399410 /nfs/dbraw/zinc/39/94/10/1278399410.db2.gz RGMYYMVQTMHWCE-UXHICEINSA-N 1 1 343.515 2.828 20 10 EFCDMO CC(C)C(=O)N1CCC[N@@H+](Cc2c(O)ccc3ccncc32)CC1 ZINC000738086648 1268322025 /nfs/dbraw/zinc/32/20/25/1268322025.db2.gz LDBPSOMCJXPMDA-UHFFFAOYSA-N 1 1 327.428 2.631 20 10 EFCDMO CCN(CC)c1ccc(C[N@H+](C)CC(=O)NCc2cccnc2)cc1 ZINC000738300631 1268442861 /nfs/dbraw/zinc/44/28/61/1268442861.db2.gz ZCPMIEUGMCPGEM-UHFFFAOYSA-N 1 1 340.471 2.676 20 10 EFCDMO CCN(CC)c1ccc(C[N@@H+](C)CC(=O)NCc2cccnc2)cc1 ZINC000738300631 1268442864 /nfs/dbraw/zinc/44/28/64/1268442864.db2.gz ZCPMIEUGMCPGEM-UHFFFAOYSA-N 1 1 340.471 2.676 20 10 EFCDMO Cc1ccc([C@H](O)C[NH2+]Cc2cccc(Br)c2O)o1 ZINC000741261508 1269446556 /nfs/dbraw/zinc/44/65/56/1269446556.db2.gz OHIKUJRTNPCIMV-GFCCVEGCSA-N 1 1 326.190 2.879 20 10 EFCDMO CN(C[C@H]1CC[N@H+]1CCC1CC1)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001085994213 1269449084 /nfs/dbraw/zinc/44/90/84/1269449084.db2.gz GARTXVCMFMNCEH-MRXNPFEDSA-N 1 1 343.431 2.795 20 10 EFCDMO C[C@@H](F)CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001085994778 1269450912 /nfs/dbraw/zinc/45/09/12/1269450912.db2.gz UQKOQPHHVOLUMU-DOMZBBRYSA-N 1 1 349.410 2.743 20 10 EFCDMO C[N@H+]1CCCC[C@H](C[NH2+]Cc2cc(Br)ccc2O)C1 ZINC000700809915 1269550505 /nfs/dbraw/zinc/55/05/05/1269550505.db2.gz VZBAZKAWDGSONK-GFCCVEGCSA-N 1 1 327.266 2.976 20 10 EFCDMO C[N@@H+]1CCCC[C@H](C[NH2+]Cc2cc(Br)ccc2[O-])C1 ZINC000700809915 1269550516 /nfs/dbraw/zinc/55/05/16/1269550516.db2.gz VZBAZKAWDGSONK-GFCCVEGCSA-N 1 1 327.266 2.976 20 10 EFCDMO C[N@H+]1CCCC[C@H](C[NH2+]Cc2cc(Br)ccc2[O-])C1 ZINC000700809915 1269550524 /nfs/dbraw/zinc/55/05/24/1269550524.db2.gz VZBAZKAWDGSONK-GFCCVEGCSA-N 1 1 327.266 2.976 20 10 EFCDMO CN(C)C(=O)N[C@H]1CCC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC000825278468 1278492958 /nfs/dbraw/zinc/49/29/58/1278492958.db2.gz CPYLLNPKBYIQLJ-INIZCTEOSA-N 1 1 327.428 2.781 20 10 EFCDMO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c(C)n1-c1ccccn1 ZINC000741725408 1269667433 /nfs/dbraw/zinc/66/74/33/1269667433.db2.gz UXWAXKBYIMOOFX-CZUORRHYSA-N 1 1 326.444 2.702 20 10 EFCDMO C[C@H]([NH2+]Cc1ccc(Br)cc1O)c1nnc2n1CCC2 ZINC000701043322 1269841313 /nfs/dbraw/zinc/84/13/13/1269841313.db2.gz LBORYVFOCLTUIV-VIFPVBQESA-N 1 1 337.221 2.543 20 10 EFCDMO CCC[N@@H+](C)CC(=O)N(CC)Cc1cc(Br)ccc1O ZINC000743809399 1270764120 /nfs/dbraw/zinc/76/41/20/1270764120.db2.gz SOEIFUAKBGEJLJ-UHFFFAOYSA-N 1 1 343.265 2.845 20 10 EFCDMO Oc1cccc(F)c1C[N@@H+]1CC[C@H](F)[C@@](O)(C(F)(F)F)CC1 ZINC001137832798 1271383209 /nfs/dbraw/zinc/38/32/09/1271383209.db2.gz IBQWJEOKMUOFAH-QWHCGFSZSA-N 1 1 325.277 2.759 20 10 EFCDMO Oc1cccc(F)c1C[N@H+]1CC[C@H](F)[C@@](O)(C(F)(F)F)CC1 ZINC001137832798 1271383219 /nfs/dbraw/zinc/38/32/19/1271383219.db2.gz IBQWJEOKMUOFAH-QWHCGFSZSA-N 1 1 325.277 2.759 20 10 EFCDMO C[C@@H]1C[C@H](NC(=O)NCc2ccc(N3CCCC3)cc2)CC[N@H+]1C ZINC000745578841 1271521331 /nfs/dbraw/zinc/52/13/31/1271521331.db2.gz XFFSPBHTJNNBTK-NVXWUHKLSA-N 1 1 330.476 2.569 20 10 EFCDMO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000745821876 1271646002 /nfs/dbraw/zinc/64/60/02/1271646002.db2.gz BXZXVVQGQHEJMJ-KRWDZBQOSA-N 1 1 344.503 2.909 20 10 EFCDMO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)[C@H]1CCCC2(C1)OCCO2 ZINC001169948680 1273271931 /nfs/dbraw/zinc/27/19/31/1273271931.db2.gz JZSULPVYFNEOHH-IBGZPJMESA-N 1 1 346.471 2.641 20 10 EFCDMO COc1ccccc1[C@@H]([NH3+])C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000844173397 1278780830 /nfs/dbraw/zinc/78/08/30/1278780830.db2.gz ZDTNDWXDYVQQKY-LJQANCHMSA-N 1 1 339.439 2.612 20 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C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)c2c(F)ccc(O)c2O)C1 ZINC000789966542 1277127519 /nfs/dbraw/zinc/12/75/19/1277127519.db2.gz HURMAXNLONVWCV-TXEJJXNPSA-N 1 1 338.423 2.723 20 10 EFCDMO Cc1cc(=O)[nH]c([C@@H](C)[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000790325000 1277427168 /nfs/dbraw/zinc/42/71/68/1277427168.db2.gz GHEWNPMGEUKOGX-HUUCEWRRSA-N 1 1 342.443 2.739 20 10 EFCDMO C[C@@H]1C[N@@H+](Cc2c(O)ccc3ccncc32)CC2(CCOCC2)O1 ZINC000790394426 1277499238 /nfs/dbraw/zinc/49/92/38/1277499238.db2.gz OBETZDZYYJQIOI-CQSZACIVSA-N 1 1 328.412 2.710 20 10 EFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@H]2N(C)CCCC2(C)C)c1 ZINC000790495757 1277600937 /nfs/dbraw/zinc/60/09/37/1277600937.db2.gz ANSVSXREKZTBSN-GUYCJALGSA-N 1 1 334.460 2.950 20 10 EFCDMO COc1ccc(O)c([C@@H](C)NC(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)c1 ZINC000790538972 1277612268 /nfs/dbraw/zinc/61/22/68/1277612268.db2.gz MHUFRYBZTWNZCY-CXAGYDPISA-N 1 1 349.475 2.881 20 10 EFCDMO Cc1cc(C[NH+]2CCN(C3=NC[C@@H](C)S3)CC2)ccc1N(C)C ZINC000815072212 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CCCC[N@@H+](CC(N)=O)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792789363 1279152503 /nfs/dbraw/zinc/15/25/03/1279152503.db2.gz YYAXKQOBJMRSBQ-UHFFFAOYSA-N 1 1 331.382 2.859 20 10 EFCDMO CCC[N@@H+](CC(=O)NC)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792793405 1279155644 /nfs/dbraw/zinc/15/56/44/1279155644.db2.gz UIXQQBBHXSTIFU-UHFFFAOYSA-N 1 1 331.382 2.729 20 10 EFCDMO COC(=O)C(C)(C)CC[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000792768204 1279164169 /nfs/dbraw/zinc/16/41/69/1279164169.db2.gz XYZLDYYYDZGWEE-MRXNPFEDSA-N 1 1 335.444 2.963 20 10 EFCDMO CCOC(=O)[C@@]1(COC)CCC[N@@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC000815108540 1287329256 /nfs/dbraw/zinc/32/92/56/1287329256.db2.gz ZOJTZNCXAYIHNN-FQEVSTJZSA-N 1 1 348.487 2.853 20 10 EFCDMO COc1ccc(CNC(=O)NCCCC[N@H+]2CCCC[C@H]2C)c(O)c1 ZINC000792830145 1279188549 /nfs/dbraw/zinc/18/85/49/1279188549.db2.gz DWWYLKVJADITTR-OAHLLOKOSA-N 1 1 349.475 2.855 20 10 EFCDMO CCN(CC)c1ccc(C[N@@H+](C)C[C@@H]2CCCS(=O)(=O)C2)cc1 ZINC000792863060 1279199098 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CC[N@@H+]1CCCN(Cc2cc(Br)c(F)cc2O)CC1 ZINC001144299273 1279387253 /nfs/dbraw/zinc/38/72/53/1279387253.db2.gz ULMHTFPAFIXPGS-UHFFFAOYSA-N 1 1 331.229 2.821 20 10 EFCDMO CC[N@H+]1CCCN(Cc2cc(Br)c(F)cc2O)CC1 ZINC001144299273 1279387266 /nfs/dbraw/zinc/38/72/66/1279387266.db2.gz ULMHTFPAFIXPGS-UHFFFAOYSA-N 1 1 331.229 2.821 20 10 EFCDMO C[N@H+](Cc1cc(Br)c(F)cc1[O-])C1CC[NH+](C)CC1 ZINC001144299480 1279387681 /nfs/dbraw/zinc/38/76/81/1279387681.db2.gz XYLOJHYBCRXISC-UHFFFAOYSA-N 1 1 331.229 2.820 20 10 EFCDMO C[N@@H+](Cc1cc(Br)c(F)cc1[O-])C1CC[NH+](C)CC1 ZINC001144299480 1279387690 /nfs/dbraw/zinc/38/76/90/1279387690.db2.gz XYLOJHYBCRXISC-UHFFFAOYSA-N 1 1 331.229 2.820 20 10 EFCDMO C[C@H]1CC[N@H+](Cc2cc(Br)c(F)cc2O)CC[C@@H]1O ZINC001144299277 1279388044 /nfs/dbraw/zinc/38/80/44/1279388044.db2.gz ULZFJMGESFAELT-ZANVPECISA-N 1 1 332.213 2.887 20 10 EFCDMO C[C@H]1CC[N@@H+](Cc2cc(Br)c(F)cc2O)CC[C@@H]1O ZINC001144299277 1279388050 /nfs/dbraw/zinc/38/80/50/1279388050.db2.gz ULZFJMGESFAELT-ZANVPECISA-N 1 1 332.213 2.887 20 10 EFCDMO Oc1cc(F)c(Br)cc1CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC001144299834 1279388191 /nfs/dbraw/zinc/38/81/91/1279388191.db2.gz JYHJHPQRAWZVKS-GFCCVEGCSA-N 1 1 343.240 2.964 20 10 EFCDMO C[N@@H+]1C[C@H]2CCCN(Cc3cc(Br)c(F)cc3O)[C@H]2C1 ZINC001144306404 1279403773 /nfs/dbraw/zinc/40/37/73/1279403773.db2.gz AIYLLZMDGLUMSC-YGRLFVJLSA-N 1 1 343.240 2.820 20 10 EFCDMO C[N@H+]1C[C@H]2CCCN(Cc3cc(Br)c(F)cc3O)[C@H]2C1 ZINC001144306404 1279403779 /nfs/dbraw/zinc/40/37/79/1279403779.db2.gz AIYLLZMDGLUMSC-YGRLFVJLSA-N 1 1 343.240 2.820 20 10 EFCDMO CCC[NH+]1CCN(Cc2cc(Br)c(F)cc2O)CC1 ZINC001144306465 1279403788 /nfs/dbraw/zinc/40/37/88/1279403788.db2.gz CXVBXRBZZZRPIK-UHFFFAOYSA-N 1 1 331.229 2.821 20 10 EFCDMO CCc1noc(C)c1CNCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000815145627 1287347000 /nfs/dbraw/zinc/34/70/00/1287347000.db2.gz AHDZHSSEXRNONA-UHFFFAOYSA-N 1 1 328.460 2.587 20 10 EFCDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)NCc1cc(Cl)ccc1O ZINC000845199333 1279490744 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EFCDMO COc1ccccc1[C@H](O)C[N@@H+](Cc1c(O)cc(O)cc1O)C(C)C ZINC001144514670 1279774017 /nfs/dbraw/zinc/77/40/17/1279774017.db2.gz ODBMVIOTDJWXTB-GOSISDBHSA-N 1 1 347.411 2.756 20 10 EFCDMO C[N@@H+](Cc1ccc(-n2ccnc2)cc1)Cc1c(O)cc(O)cc1O ZINC001144515466 1279777716 /nfs/dbraw/zinc/77/77/16/1279777716.db2.gz PNRVKHQUIHBYAG-UHFFFAOYSA-N 1 1 325.368 2.621 20 10 EFCDMO Oc1cc(O)c(C[N@H+]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)c(O)c1 ZINC001144516398 1279779020 /nfs/dbraw/zinc/77/90/20/1279779020.db2.gz XPZMNUGPBVGVSQ-YJBOKZPZSA-N 1 1 340.423 2.510 20 10 EFCDMO COc1cccc(O)c1C[N@H+]1CCN(C)[C@@H](Cc2ccccc2)C1 ZINC000793619592 1279780301 /nfs/dbraw/zinc/78/03/01/1279780301.db2.gz IDAYWWRIAYOARS-KRWDZBQOSA-N 1 1 326.440 2.760 20 10 EFCDMO COc1cccc(O)c1CN1CC[N@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000793619592 1279780310 /nfs/dbraw/zinc/78/03/10/1279780310.db2.gz IDAYWWRIAYOARS-KRWDZBQOSA-N 1 1 326.440 2.760 20 10 EFCDMO COc1cccc(O)c1CN1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000793619592 1279780313 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C[N@H+]1CCC[C@H](CNC(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000805183518 1280473075 /nfs/dbraw/zinc/47/30/75/1280473075.db2.gz HNYXYTCQWPHTKT-SNVBAGLBSA-N 1 1 346.258 2.840 20 10 EFCDMO O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000805184169 1280473129 /nfs/dbraw/zinc/47/31/29/1280473129.db2.gz OSTUAAALCAXFKG-LLVKDONJSA-N 1 1 344.242 2.735 20 10 EFCDMO O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000805184169 1280473138 /nfs/dbraw/zinc/47/31/38/1280473138.db2.gz OSTUAAALCAXFKG-LLVKDONJSA-N 1 1 344.242 2.735 20 10 EFCDMO C[C@@H](CNC(=O)NCc1cc(Cl)cc(Cl)c1O)[N@H+](C)C1CC1 ZINC000805187813 1280474989 /nfs/dbraw/zinc/47/49/89/1280474989.db2.gz WTXNSWOJESGNBB-VIFPVBQESA-N 1 1 346.258 2.981 20 10 EFCDMO C[C@@H](CNC(=O)NCc1cc(Cl)cc(Cl)c1O)[N@@H+](C)C1CC1 ZINC000805187813 1280474994 /nfs/dbraw/zinc/47/49/94/1280474994.db2.gz WTXNSWOJESGNBB-VIFPVBQESA-N 1 1 346.258 2.981 20 10 EFCDMO CC[NH+](CC)CCNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000806273192 1281023248 /nfs/dbraw/zinc/02/32/48/1281023248.db2.gz TWAZQYSPHXFJQR-UHFFFAOYSA-N 1 1 334.247 2.840 20 10 EFCDMO C[NH+](C)CCCNC(=S)NCc1cc(Cl)cc(Cl)c1O ZINC000806599460 1281104467 /nfs/dbraw/zinc/10/44/67/1281104467.db2.gz SPEZQEKGQIDZQB-UHFFFAOYSA-N 1 1 336.288 2.615 20 10 EFCDMO CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000807141894 1281224657 /nfs/dbraw/zinc/22/46/57/1281224657.db2.gz WXQULWSXLHTBIR-YJBOKZPZSA-N 1 1 332.492 2.987 20 10 EFCDMO NC(=O)C[C@H]1CC[N@@H+](Cc2c3c(ccc2O)oc2c3CCCC2)C1 ZINC000808228650 1281598572 /nfs/dbraw/zinc/59/85/72/1281598572.db2.gz KBJWHOVEWHSWNO-GFCCVEGCSA-N 1 1 328.412 2.715 20 10 EFCDMO COC(=O)C[C@H]1COCC[N@@H+]1Cc1cc(C)cc(C(C)(C)C)c1O ZINC000808212668 1281604143 /nfs/dbraw/zinc/60/41/43/1281604143.db2.gz UZRWAPSJXWKRER-HNNXBMFYSA-N 1 1 335.444 2.762 20 10 EFCDMO COC(=O)C[C@H]1COCC[N@H+]1Cc1cc(C)cc(C(C)(C)C)c1O ZINC000808212668 1281604152 /nfs/dbraw/zinc/60/41/52/1281604152.db2.gz UZRWAPSJXWKRER-HNNXBMFYSA-N 1 1 335.444 2.762 20 10 EFCDMO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H](C)CN2CCN(C)CC2)c1O ZINC000808693339 1281847310 /nfs/dbraw/zinc/84/73/10/1281847310.db2.gz GJUKYNSHSBAHES-ZIAGYGMSSA-N 1 1 325.884 2.641 20 10 EFCDMO CCNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000809691470 1282375623 /nfs/dbraw/zinc/37/56/23/1282375623.db2.gz NKIONCBQTSIKIJ-HNNXBMFYSA-N 1 1 337.439 2.992 20 10 EFCDMO C[C@H](O)C[C@@H]1CCCCC[N@@H+]1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000809700358 1282384956 /nfs/dbraw/zinc/38/49/56/1282384956.db2.gz FBCIMHLYMZATRW-RXVVDRJESA-N 1 1 345.531 2.954 20 10 EFCDMO C[C@H](O)C[C@@H]1CCCCC[N@H+]1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000809700358 1282384968 /nfs/dbraw/zinc/38/49/68/1282384968.db2.gz FBCIMHLYMZATRW-RXVVDRJESA-N 1 1 345.531 2.954 20 10 EFCDMO CN(C)CC[N@H+](Cc1ccccc1)Cc1cc2c(cc1O)OCO2 ZINC000809728452 1282408495 /nfs/dbraw/zinc/40/84/95/1282408495.db2.gz XRZCFNQHYVZLAB-UHFFFAOYSA-N 1 1 328.412 2.685 20 10 EFCDMO CN(C)CC[N@@H+](Cc1ccccc1)Cc1cc2c(cc1O)OCO2 ZINC000809728452 1282408500 /nfs/dbraw/zinc/40/85/00/1282408500.db2.gz XRZCFNQHYVZLAB-UHFFFAOYSA-N 1 1 328.412 2.685 20 10 EFCDMO Cc1noc([C@@H]2CCCC[N@@H+]2Cc2ccc(N3CCOCC3)cc2)n1 ZINC000809718029 1282424924 /nfs/dbraw/zinc/42/49/24/1282424924.db2.gz DYOHCAHSOAJWPJ-SFHVURJKSA-N 1 1 342.443 2.942 20 10 EFCDMO Cc1noc([C@@H]2CCCC[N@H+]2Cc2ccc(N3CCOCC3)cc2)n1 ZINC000809718029 1282424928 /nfs/dbraw/zinc/42/49/28/1282424928.db2.gz DYOHCAHSOAJWPJ-SFHVURJKSA-N 1 1 342.443 2.942 20 10 EFCDMO CCN(CC)c1ccc(C[N@@H+](C)[C@H](CO)COC(C)C)cc1F ZINC000809768742 1282431468 /nfs/dbraw/zinc/43/14/68/1282431468.db2.gz VRNGFZYKIDPCCU-MRXNPFEDSA-N 1 1 326.456 2.890 20 10 EFCDMO C[N@@H+](C[C@@H](O)CN1CCCc2cc(OC(F)(F)F)ccc21)C1CC1 ZINC000809955458 1282681485 /nfs/dbraw/zinc/68/14/85/1282681485.db2.gz IZPYLEDCXXTFAE-CQSZACIVSA-N 1 1 344.377 2.793 20 10 EFCDMO CCCC[C@H](C)[N@@H+](C)Cc1cc(=O)n2ncc(C(=O)OCC)c2[nH]1 ZINC000810125547 1282909086 /nfs/dbraw/zinc/90/90/86/1282909086.db2.gz YPMQGOMIHNPNII-LBPRGKRZSA-N 1 1 334.420 2.622 20 10 EFCDMO Cc1nnc(CC[NH2+]Cc2cc(C)cc(Br)c2O)s1 ZINC000810159120 1282989430 /nfs/dbraw/zinc/98/94/30/1282989430.db2.gz FCJCTGBCOJCOPP-UHFFFAOYSA-N 1 1 342.262 2.955 20 10 EFCDMO CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000815600156 1287625362 /nfs/dbraw/zinc/62/53/62/1287625362.db2.gz NCJDFHYWTBCRCX-UFGOTCBOSA-N 1 1 330.350 2.976 20 10 EFCDMO CCC[N@@H+]1C[C@@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)[C@H](C)C1 ZINC001093240843 1283487581 /nfs/dbraw/zinc/48/75/81/1283487581.db2.gz JYYLECSVTNEKMD-TZMCWYRMSA-N 1 1 331.420 2.557 20 10 EFCDMO COc1cccc(C[NH2+]Cc2ncc(Br)s2)c1O ZINC000714932365 1283897252 /nfs/dbraw/zinc/89/72/52/1283897252.db2.gz VTPDSBCOMDMQLR-UHFFFAOYSA-N 1 1 329.219 2.910 20 10 EFCDMO C[C@@](O)(C[NH2+]Cc1cc(Br)cc(F)c1O)C(F)(F)F ZINC000715712138 1284312427 /nfs/dbraw/zinc/31/24/27/1284312427.db2.gz IWOUIUZPEPLJCD-SNVBAGLBSA-N 1 1 346.118 2.697 20 10 EFCDMO CC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(Br)cc(F)c2[O-])C1 ZINC000715791962 1284331472 /nfs/dbraw/zinc/33/14/72/1284331472.db2.gz MGSGJWSHYJPSKV-JTQLQIEISA-N 1 1 331.229 2.725 20 10 EFCDMO Cc1ccc2nc(CNCc3ccc(N4CC[NH+](C)CC4)cc3)cn2c1 ZINC000811628045 1284443644 /nfs/dbraw/zinc/44/36/44/1284443644.db2.gz LYHQIKNHJCVIFR-UHFFFAOYSA-N 1 1 349.482 2.684 20 10 EFCDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000811977254 1284790769 /nfs/dbraw/zinc/79/07/69/1284790769.db2.gz CSIRKQIQPPQOJX-UONOGXRCSA-N 1 1 337.464 2.881 20 10 EFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2ccc3cnn(C)c3c2)c1 ZINC000812737461 1285388076 /nfs/dbraw/zinc/38/80/76/1285388076.db2.gz IVWZGQUIFFPTIB-LBPRGKRZSA-N 1 1 339.395 2.916 20 10 EFCDMO CCOC(=O)C[N@H+](CCCC1CCOCC1)Cc1ccccc1O ZINC000822511723 1289020493 /nfs/dbraw/zinc/02/04/93/1289020493.db2.gz MLIJTHOWHJJHPB-UHFFFAOYSA-N 1 1 335.444 2.964 20 10 EFCDMO CCOC(=O)C[N@@H+](CCCC1CCOCC1)Cc1ccccc1O ZINC000822511723 1289020499 /nfs/dbraw/zinc/02/04/99/1289020499.db2.gz MLIJTHOWHJJHPB-UHFFFAOYSA-N 1 1 335.444 2.964 20 10 EFCDMO CN1[C@H]2COC[C@@H]1CC([N@@H+](C)Cc1ccc(N3CCCC3)cc1)C2 ZINC001172138833 1286018059 /nfs/dbraw/zinc/01/80/59/1286018059.db2.gz IXLXOXXXPXPAGR-IHWFROFDSA-N 1 1 329.488 2.580 20 10 EFCDMO O=C1CC[C@H]2C[C@@H]([NH2+]Cc3cc(Cl)c4cccnc4c3O)CCN12 ZINC001172169719 1286045887 /nfs/dbraw/zinc/04/58/87/1286045887.db2.gz INLBPWJJGNOOST-STQMWFEESA-N 1 1 345.830 2.837 20 10 EFCDMO CC1(C)C[C@H]([NH2+][C@H](c2ccccc2O)[C@H](N)c2ccccc2O)CO1 ZINC001172279405 1286078037 /nfs/dbraw/zinc/07/80/37/1286078037.db2.gz MRAJCDOWSYXPCZ-MJXNMMHHSA-N 1 1 342.439 2.996 20 10 EFCDMO COC(=O)[C@@H]1CCC[C@H]([N@@H+](C)Cc2ccc(N3CCOCC3)cc2)C1 ZINC001172616317 1286205903 /nfs/dbraw/zinc/20/59/03/1286205903.db2.gz LIOVFWXQMJRVLU-MJGOQNOKSA-N 1 1 346.471 2.687 20 10 EFCDMO O=C1C[C@@H]([N@@H+]2CCc3cccc(O)c3C2)CCN1Cc1ccccc1 ZINC001172682270 1286229146 /nfs/dbraw/zinc/22/91/46/1286229146.db2.gz PFZVXRWHJVVDGJ-SFHVURJKSA-N 1 1 336.435 2.942 20 10 EFCDMO COC(=O)[C@@]1(c2ccccc2)CC[N@@H+](Cc2cc(OC)ccc2O)C1 ZINC000814171565 1286353550 /nfs/dbraw/zinc/35/35/50/1286353550.db2.gz OTAIOHBVUALSFS-FQEVSTJZSA-N 1 1 341.407 2.718 20 10 EFCDMO Cc1cc(Br)cc(C[N@@H+](C)[C@H]2CC(C)(C)OC2=O)c1O ZINC000814180425 1286355730 /nfs/dbraw/zinc/35/57/30/1286355730.db2.gz ODPSBOMRNPJMTN-LBPRGKRZSA-N 1 1 342.233 2.989 20 10 EFCDMO Cc1cc(Br)cc(C[N@H+](C)[C@H]2CC(C)(C)OC2=O)c1O ZINC000814180425 1286355737 /nfs/dbraw/zinc/35/57/37/1286355737.db2.gz ODPSBOMRNPJMTN-LBPRGKRZSA-N 1 1 342.233 2.989 20 10 EFCDMO Cc1cc(Br)c(O)c(CN2CC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000814178533 1286360444 /nfs/dbraw/zinc/36/04/44/1286360444.db2.gz UCKIRQLIXAWIGR-MRXNPFEDSA-N 1 1 339.277 2.991 20 10 EFCDMO CS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000814227167 1286423450 /nfs/dbraw/zinc/42/34/50/1286423450.db2.gz QWKCCBLYERXBOP-AWEZNQCLSA-N 1 1 337.485 2.528 20 10 EFCDMO CC1(C)C[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)[C@@H]1c1ccncc1 ZINC000814229812 1286427799 /nfs/dbraw/zinc/42/77/99/1286427799.db2.gz DYJLMVHPKCNTET-SJLPKXTDSA-N 1 1 326.396 2.796 20 10 EFCDMO CC1(C)C[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)[C@@H]1c1ccncc1 ZINC000814229812 1286427803 /nfs/dbraw/zinc/42/78/03/1286427803.db2.gz DYJLMVHPKCNTET-SJLPKXTDSA-N 1 1 326.396 2.796 20 10 EFCDMO C[C@@H]([NH2+]Cc1nnc(C(C)(C)C)[nH]1)c1ccc(N2CCOCC2)cc1 ZINC000814629450 1286835344 /nfs/dbraw/zinc/83/53/44/1286835344.db2.gz OMBQDIQCUHXNLS-CQSZACIVSA-N 1 1 343.475 2.790 20 10 EFCDMO CCOc1ccc(O)c(C[NH+]2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000123715519 1287171173 /nfs/dbraw/zinc/17/11/73/1287171173.db2.gz WMPBMKJFDFDSBP-UHFFFAOYSA-N 1 1 336.432 2.844 20 10 EFCDMO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2Cc1cc(Cl)c(F)cc1O ZINC000816521419 1288169968 /nfs/dbraw/zinc/16/99/68/1288169968.db2.gz OPKUVPAKVFQCNB-VMGRFDJRSA-N 1 1 342.842 2.868 20 10 EFCDMO CN1CCN(C(C)(C)C[NH2+]Cc2ccc3ccccc3c2O)CC1 ZINC000816534894 1288193933 /nfs/dbraw/zinc/19/39/33/1288193933.db2.gz YJCUNBUPMDSPGI-UHFFFAOYSA-N 1 1 327.472 2.661 20 10 EFCDMO COCCOc1ccc(C[NH2+]Cc2cc(Cl)c(F)cc2O)cn1 ZINC000816535562 1288196588 /nfs/dbraw/zinc/19/65/88/1288196588.db2.gz SLECGMRFHMKYTJ-UHFFFAOYSA-N 1 1 340.782 2.895 20 10 EFCDMO Oc1cc(F)c(Cl)cc1C[NH2+]C[C@@H](O)COc1cccc(F)c1 ZINC000816538057 1288196650 /nfs/dbraw/zinc/19/66/50/1288196650.db2.gz CJUQTYSDEIDGBI-GFCCVEGCSA-N 1 1 343.757 2.853 20 10 EFCDMO C[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1O)C(=O)NCc1ccccc1 ZINC000816538345 1288196809 /nfs/dbraw/zinc/19/68/09/1288196809.db2.gz OESCXQFVXNGQAU-LLVKDONJSA-N 1 1 336.794 2.979 20 10 EFCDMO CS(=O)(=O)[C@H]1CCC[C@H]([NH2+]Cc2cc(Cl)c(F)cc2O)C1 ZINC000816552474 1288197192 /nfs/dbraw/zinc/19/71/92/1288197192.db2.gz NOKQDWPHMGYYIL-QWRGUYRKSA-N 1 1 335.828 2.630 20 10 EFCDMO CCO[C@@H]1C[C@@](CO)([NH2+]Cc2cc(Cl)c(F)cc2O)C1(C)C ZINC000816585618 1288208569 /nfs/dbraw/zinc/20/85/69/1288208569.db2.gz NZGMCCPCKBVRPK-ZBFHGGJFSA-N 1 1 331.815 2.840 20 10 EFCDMO CS(=O)(=O)C1(C[NH2+]Cc2cc(Cl)c(F)cc2O)CCCC1 ZINC000816609090 1288222386 /nfs/dbraw/zinc/22/23/86/1288222386.db2.gz RITJXTLDIVPNLI-UHFFFAOYSA-N 1 1 335.828 2.632 20 10 EFCDMO C[C@H]1C[C@H](N2CCOCC2)C[N@H+]1Cc1ccc2ccccc2c1O ZINC000816609056 1288222776 /nfs/dbraw/zinc/22/27/76/1288222776.db2.gz QQPQDGYDKVFUON-YJBOKZPZSA-N 1 1 326.440 2.840 20 10 EFCDMO C[C@@H]1C[C@H](N2CCOCC2)C[N@H+]1Cc1ccc2ccccc2c1O ZINC000816609055 1288222953 /nfs/dbraw/zinc/22/29/53/1288222953.db2.gz QQPQDGYDKVFUON-QAPCUYQASA-N 1 1 326.440 2.840 20 10 EFCDMO C[NH+]1CCN(c2ccc(CN3C[C@@]4(CCCO4)[C@H]3C3CC3)cc2)CC1 ZINC000816666293 1288235393 /nfs/dbraw/zinc/23/53/93/1288235393.db2.gz JLXQTSPBEXLLCR-RTWAWAEBSA-N 1 1 341.499 2.582 20 10 EFCDMO OC[C@@]1([C@@H]([NH2+]Cc2cc(Cl)c(F)cc2O)C2CC2)CCCO1 ZINC000816667188 1288236125 /nfs/dbraw/zinc/23/61/25/1288236125.db2.gz GFAJPZIYZFSCOO-JKSUJKDBSA-N 1 1 329.799 2.594 20 10 EFCDMO Fc1cc(C[N@@H+]2C[C@@]3(CCCO3)[C@H]2C2CC2)ccc1N1CCOCC1 ZINC000816666967 1288236682 /nfs/dbraw/zinc/23/66/82/1288236682.db2.gz YVDXQOFWGKQCNP-UXHICEINSA-N 1 1 346.446 2.806 20 10 EFCDMO Fc1cc(C[N@H+]2C[C@@]3(CCCO3)[C@H]2C2CC2)ccc1N1CCOCC1 ZINC000816666967 1288236687 /nfs/dbraw/zinc/23/66/87/1288236687.db2.gz YVDXQOFWGKQCNP-UXHICEINSA-N 1 1 346.446 2.806 20 10 EFCDMO Fc1cc(C[N@@H+]2C[C@]3(CCCO3)[C@H]2C2CC2)ccc1N1CCOCC1 ZINC000816666969 1288237018 /nfs/dbraw/zinc/23/70/18/1288237018.db2.gz YVDXQOFWGKQCNP-WOJBJXKFSA-N 1 1 346.446 2.806 20 10 EFCDMO Fc1cc(C[N@H+]2C[C@]3(CCCO3)[C@H]2C2CC2)ccc1N1CCOCC1 ZINC000816666969 1288237021 /nfs/dbraw/zinc/23/70/21/1288237021.db2.gz YVDXQOFWGKQCNP-WOJBJXKFSA-N 1 1 346.446 2.806 20 10 EFCDMO CC(C)[C@H]1C[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)CCCO1 ZINC000816676208 1288241155 /nfs/dbraw/zinc/24/11/55/1288241155.db2.gz VMJXCCIQKFHCMT-LJQANCHMSA-N 1 1 336.451 2.909 20 10 EFCDMO Cc1cc(C)c(CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccco2)c(O)c1 ZINC001177626767 1288495595 /nfs/dbraw/zinc/49/55/95/1288495595.db2.gz RJJCDGUOWQABRX-QGZVFWFLSA-N 1 1 328.412 2.883 20 10 EFCDMO Cc1cc(C)c(CNC(=O)[C@H]2CCC[N@H+]2Cc2ccco2)c(O)c1 ZINC001177626767 1288495603 /nfs/dbraw/zinc/49/56/03/1288495603.db2.gz RJJCDGUOWQABRX-QGZVFWFLSA-N 1 1 328.412 2.883 20 10 EFCDMO COc1cc(Br)cc(CN(C)C[C@H]2CCC[N@H+]2C)c1O ZINC000817417907 1288593536 /nfs/dbraw/zinc/59/35/36/1288593536.db2.gz WKZGONGDNFXYON-CYBMUJFWSA-N 1 1 343.265 2.689 20 10 EFCDMO COc1cc(Br)cc(C[N@H+](C)C[C@H]2CCCN2C)c1O ZINC000817417907 1288593545 /nfs/dbraw/zinc/59/35/45/1288593545.db2.gz WKZGONGDNFXYON-CYBMUJFWSA-N 1 1 343.265 2.689 20 10 EFCDMO COc1cc(Br)cc(C[N@@H+](C)C[C@H]2CCCN2C)c1O ZINC000817417907 1288593549 /nfs/dbraw/zinc/59/35/49/1288593549.db2.gz WKZGONGDNFXYON-CYBMUJFWSA-N 1 1 343.265 2.689 20 10 EFCDMO CC(C)n1cc(C(C)(C)[NH2+]Cc2ccc(N3CCOCC3)cc2)nn1 ZINC000817420663 1288595401 /nfs/dbraw/zinc/59/54/01/1288595401.db2.gz WPCOKSIXTDTLKY-UHFFFAOYSA-N 1 1 343.475 2.721 20 10 EFCDMO COc1ccc(N2CC[NH+](Cc3ccc(OC)nc3C)CC2)cc1 ZINC001232331349 1312677653 /nfs/dbraw/zinc/67/76/53/1312677653.db2.gz PIUCYJYEKLOPFY-UHFFFAOYSA-N 1 1 327.428 2.729 20 10 EFCDMO COC(=O)N1CC[NH+](Cc2ccc(N(C)C)c3ccccc23)CC1 ZINC001204233592 1288968681 /nfs/dbraw/zinc/96/86/81/1288968681.db2.gz RZHIODUKYAHOBL-UHFFFAOYSA-N 1 1 327.428 2.790 20 10 EFCDMO CN(Cc1ccccc1O)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000822525955 1289009871 /nfs/dbraw/zinc/00/98/71/1289009871.db2.gz SEKTTZRJPUFJEM-MRXNPFEDSA-N 1 1 331.460 2.941 20 10 EFCDMO COC(=O)c1c(C[N@H+]2CC[C@](C)(O)[C@H](C)C2)c2ccccc2n1C ZINC001232402365 1312694212 /nfs/dbraw/zinc/69/42/12/1312694212.db2.gz MBJAJMDMMNATIY-YJYMSZOUSA-N 1 1 330.428 2.558 20 10 EFCDMO COC(=O)c1c(C[N@H+]2CC[C@H]3O[C@@H](C)C[C@H]3C2)c2ccccc2n1C ZINC001232400898 1312694262 /nfs/dbraw/zinc/69/42/62/1312694262.db2.gz LUGUEAQSPDXGBH-SUNYJGFJSA-N 1 1 342.439 2.964 20 10 EFCDMO COc1cc([C@H](C)[NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)on1 ZINC000903448381 1312694576 /nfs/dbraw/zinc/69/45/76/1312694576.db2.gz OFZLWXPNKWPQOV-BBRMVZONSA-N 1 1 332.448 2.703 20 10 EFCDMO COC(=O)c1c(C[NH+]2CC3(C2)C[C@H](F)CS3)c2ccccc2n1C ZINC001232405211 1312694645 /nfs/dbraw/zinc/69/46/45/1312694645.db2.gz IGJROQCKVXUBME-LBPRGKRZSA-N 1 1 348.443 2.994 20 10 EFCDMO CC[C@H](NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1nccn1C ZINC000903448587 1312694688 /nfs/dbraw/zinc/69/46/88/1312694688.db2.gz QHCIZRKLGMAEHU-ROUUACIJSA-N 1 1 329.492 2.830 20 10 EFCDMO COC(=O)c1c(C[N@H+]2CCC[C@@](O)(CF)CC2)c2ccccc2n1C ZINC001232403373 1312695116 /nfs/dbraw/zinc/69/51/16/1312695116.db2.gz WUTBZZYTAABBIT-IBGZPJMESA-N 1 1 348.418 2.651 20 10 EFCDMO CCn1ccnc1[C@H](C)[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000903449141 1312695609 /nfs/dbraw/zinc/69/56/09/1312695609.db2.gz VPEGTKJWJNRFFD-YJBOKZPZSA-N 1 1 329.492 2.923 20 10 EFCDMO CCn1ccnc1[C@H](C)[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000903449139 1312695668 /nfs/dbraw/zinc/69/56/68/1312695668.db2.gz VPEGTKJWJNRFFD-MAUKXSAKSA-N 1 1 329.492 2.923 20 10 EFCDMO COC(=O)c1c(C[N@@H+]2CC[C@@H](OC)C[C@H]2C)c2ccccc2n1C ZINC001232409602 1312696353 /nfs/dbraw/zinc/69/63/53/1312696353.db2.gz FTVMZFSXSQYVCU-ZIAGYGMSSA-N 1 1 330.428 2.964 20 10 EFCDMO C[C@@H]1CO[C@H](CO)C[N@@H+]1Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000823489709 1289320226 /nfs/dbraw/zinc/32/02/26/1289320226.db2.gz LEUVGCHVAFUDLY-QAPCUYQASA-N 1 1 346.496 2.966 20 10 EFCDMO C[C@@H]1CO[C@H](CO)C[N@H+]1Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000823489709 1289320235 /nfs/dbraw/zinc/32/02/35/1289320235.db2.gz LEUVGCHVAFUDLY-QAPCUYQASA-N 1 1 346.496 2.966 20 10 EFCDMO CCOC(=O)C[N@H+](CCCc1ccncc1)Cc1ccccc1O ZINC000823576589 1289337246 /nfs/dbraw/zinc/33/72/46/1289337246.db2.gz TYSZPNBXYGKSOS-UHFFFAOYSA-N 1 1 328.412 2.785 20 10 EFCDMO CCOC(=O)C[N@@H+](CCCc1ccncc1)Cc1ccccc1O ZINC000823576589 1289337256 /nfs/dbraw/zinc/33/72/56/1289337256.db2.gz TYSZPNBXYGKSOS-UHFFFAOYSA-N 1 1 328.412 2.785 20 10 EFCDMO O=C(NCc1ccc2cccnc2c1O)[C@H]1CC[N@H+]1C1CCCC1 ZINC000823770236 1289445410 /nfs/dbraw/zinc/44/54/10/1289445410.db2.gz ZVFSGYFVFOWBDW-MRXNPFEDSA-N 1 1 325.412 2.574 20 10 EFCDMO O=C(NCc1ccc2cccnc2c1O)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000823770234 1289445910 /nfs/dbraw/zinc/44/59/10/1289445910.db2.gz ZVFSGYFVFOWBDW-INIZCTEOSA-N 1 1 325.412 2.574 20 10 EFCDMO CC[C@@H](C)[N@@H+](C)CCNCc1ccc(OC)c(Cn2cccn2)c1 ZINC000873037085 1289533653 /nfs/dbraw/zinc/53/36/53/1289533653.db2.gz LXXRQGPTSAMPMR-MRXNPFEDSA-N 1 1 330.476 2.760 20 10 EFCDMO CC[C@@H](C)N(C)CC[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC000873037085 1289533659 /nfs/dbraw/zinc/53/36/59/1289533659.db2.gz LXXRQGPTSAMPMR-MRXNPFEDSA-N 1 1 330.476 2.760 20 10 EFCDMO CC[NH+](CC)C[C@H](C)NCc1ccc(OC)c(Cn2cccn2)c1 ZINC000873042712 1289536722 /nfs/dbraw/zinc/53/67/22/1289536722.db2.gz HFYLAMDMSZNAHA-INIZCTEOSA-N 1 1 330.476 2.760 20 10 EFCDMO COc1ccc(CNCC[N@@H+](C)C2CCCC2)cc1Cn1cccn1 ZINC000873045363 1289538003 /nfs/dbraw/zinc/53/80/03/1289538003.db2.gz DLFURFOIMITZQY-UHFFFAOYSA-N 1 1 342.487 2.904 20 10 EFCDMO COc1ccc(C[NH2+]CCN(C)C2CCCC2)cc1Cn1cccn1 ZINC000873045363 1289538008 /nfs/dbraw/zinc/53/80/08/1289538008.db2.gz DLFURFOIMITZQY-UHFFFAOYSA-N 1 1 342.487 2.904 20 10 EFCDMO COc1ccc(CNC[C@@H](C)[N@H+](C)C2CC2)cc1Cn1cccn1 ZINC000873045753 1289538107 /nfs/dbraw/zinc/53/81/07/1289538107.db2.gz KYJCSOYCAKWBBG-OAHLLOKOSA-N 1 1 328.460 2.512 20 10 EFCDMO COc1ccc(CNC[C@@H](C)[N@@H+](C)C2CC2)cc1Cn1cccn1 ZINC000873045753 1289538109 /nfs/dbraw/zinc/53/81/09/1289538109.db2.gz KYJCSOYCAKWBBG-OAHLLOKOSA-N 1 1 328.460 2.512 20 10 EFCDMO COc1ccc(CN[C@H]2CC[N@H+](C(C)(C)C)C2)cc1Cn1cccn1 ZINC000873135622 1289591743 /nfs/dbraw/zinc/59/17/43/1289591743.db2.gz YWHXTGGSWZAXFT-SFHVURJKSA-N 1 1 342.487 2.902 20 10 EFCDMO COc1ccc(C[NH2+][C@H]2CCN(C(C)(C)C)C2)cc1Cn1cccn1 ZINC000873135622 1289591750 /nfs/dbraw/zinc/59/17/50/1289591750.db2.gz YWHXTGGSWZAXFT-SFHVURJKSA-N 1 1 342.487 2.902 20 10 EFCDMO CCOC(=O)[C@@H]1C[N@@H+](Cc2ccc3ccccc3c2O)CC12COC2 ZINC000824488954 1289666496 /nfs/dbraw/zinc/66/64/96/1289666496.db2.gz DCRCBWVGUCAQQT-KRWDZBQOSA-N 1 1 341.407 2.557 20 10 EFCDMO CCCNC(=O)C[N@@H+](CCC)Cc1ccc(Br)cc1O ZINC000824600765 1289720513 /nfs/dbraw/zinc/72/05/13/1289720513.db2.gz CCBDRDDZHTYEPK-UHFFFAOYSA-N 1 1 343.265 2.893 20 10 EFCDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)c1 ZINC000824608734 1289725758 /nfs/dbraw/zinc/72/57/58/1289725758.db2.gz OGORELDHKVYXAN-CQSZACIVSA-N 1 1 334.460 2.905 20 10 EFCDMO CC(C)[N@H+]1CC[C@@H](C(=O)NCc2cc(Cl)c3cccnc3c2O)C1 ZINC001181982775 1290022071 /nfs/dbraw/zinc/02/20/71/1290022071.db2.gz RRQNHBGJBIXSNP-GFCCVEGCSA-N 1 1 347.846 2.940 20 10 EFCDMO COc1cccc(CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)c1O ZINC000825702624 1290111506 /nfs/dbraw/zinc/11/15/06/1290111506.db2.gz DFQOXVUMBRPVKC-INIZCTEOSA-N 1 1 332.444 2.814 20 10 EFCDMO COc1cc(C[N@H+]2CCC[C@](O)(C(F)(F)F)[C@@H](C)C2)cc(O)c1O ZINC001204342879 1290202719 /nfs/dbraw/zinc/20/27/19/1290202719.db2.gz NWENGVCENBGVNJ-ZUZCIYMTSA-N 1 1 349.349 2.632 20 10 EFCDMO CC(C)[N@@H+]1CC[C@H]1C(=O)NCc1cc(Cl)c2cccnc2c1O ZINC001182868978 1290266204 /nfs/dbraw/zinc/26/62/04/1290266204.db2.gz HUXZYIXGRMEYJK-AWEZNQCLSA-N 1 1 333.819 2.693 20 10 EFCDMO CC(C)[N@H+]1CC[C@H]1C(=O)NCc1cc(Cl)c2cccnc2c1O ZINC001182868978 1290266209 /nfs/dbraw/zinc/26/62/09/1290266209.db2.gz HUXZYIXGRMEYJK-AWEZNQCLSA-N 1 1 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CCC[C@@H](C)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000127223257 1291726874 /nfs/dbraw/zinc/72/68/74/1291726874.db2.gz VRTOSCRBXFCDDU-IAGOWNOFSA-N 1 1 347.503 2.648 20 10 EFCDMO C[C@H]1C(=O)NCC[N@H+]1Cc1c(O)ccc2cc(Br)ccc21 ZINC001233195061 1312878139 /nfs/dbraw/zinc/87/81/39/1312878139.db2.gz DRBOUYAQKXJHGF-JTQLQIEISA-N 1 1 349.228 2.628 20 10 EFCDMO C[C@H]1C(=O)NCC[N@@H+]1Cc1c(O)ccc2cc(Br)ccc21 ZINC001233195061 1312878141 /nfs/dbraw/zinc/87/81/41/1312878141.db2.gz DRBOUYAQKXJHGF-JTQLQIEISA-N 1 1 349.228 2.628 20 10 EFCDMO COc1ccc(N2CC[NH+](Cc3cnn4ccccc34)CC2)c(C)c1 ZINC001233238991 1312884538 /nfs/dbraw/zinc/88/45/38/1312884538.db2.gz YQSGKROIQBGDDD-UHFFFAOYSA-N 1 1 336.439 2.974 20 10 EFCDMO COC(=O)C[C@](C)([NH2+]Cc1ccc(N(C)C)cc1)c1ccccn1 ZINC000796011354 1291870374 /nfs/dbraw/zinc/87/03/74/1291870374.db2.gz RGOOLDIGACORFZ-IBGZPJMESA-N 1 1 327.428 2.716 20 10 EFCDMO COC(=O)C[C@@](C)([NH2+]Cc1ccc(N(C)C)cc1)c1ccccn1 ZINC000796011356 1291870596 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CCNC(=O)CO[C@@H]1CCC[N@@H+](Cc2cc(C(C)(C)C)ccc2O)C1 ZINC001233286865 1312895459 /nfs/dbraw/zinc/89/54/59/1312895459.db2.gz MAGWPJOSBFQFJO-QGZVFWFLSA-N 1 1 348.487 2.807 20 10 EFCDMO COC[C@@H]1C[N@H+](Cc2cc(C(C)(C)C)ccc2O)Cc2nnn(C)c21 ZINC001233284849 1312895834 /nfs/dbraw/zinc/89/58/34/1312895834.db2.gz KJKKEHFJKRVBKS-AWEZNQCLSA-N 1 1 344.459 2.564 20 10 EFCDMO COC[C@@H]1C[N@@H+](Cc2cc(C(C)(C)C)ccc2O)Cc2nnn(C)c21 ZINC001233284849 1312895837 /nfs/dbraw/zinc/89/58/37/1312895837.db2.gz KJKKEHFJKRVBKS-AWEZNQCLSA-N 1 1 344.459 2.564 20 10 EFCDMO COC1CCN(c2ccc(C[N@@H+](C)Cc3c[nH]nc3C)cc2)CC1 ZINC000879188073 1292009089 /nfs/dbraw/zinc/00/90/89/1292009089.db2.gz GWCPNGJIJWQCRW-UHFFFAOYSA-N 1 1 328.460 2.965 20 10 EFCDMO COC(=O)[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(OC)c2O)CC1 ZINC001233290904 1312896610 /nfs/dbraw/zinc/89/66/10/1312896610.db2.gz CHZLGLCNDXMXHK-NSHDSACASA-N 1 1 327.808 2.829 20 10 EFCDMO COc1cc(Cl)cc(C[N@H+]2CC[C@H](Oc3nccc(C)n3)C2)c1O ZINC001233291023 1312896848 /nfs/dbraw/zinc/89/68/48/1312896848.db2.gz HVCKCLYPEXYTPD-AWEZNQCLSA-N 1 1 349.818 2.806 20 10 EFCDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@@H](Oc3cnccn3)C2)c1O ZINC001233291276 1312897643 /nfs/dbraw/zinc/89/76/43/1312897643.db2.gz UBHPKLBRZTUFKV-CQSZACIVSA-N 1 1 349.818 2.888 20 10 EFCDMO COc1ccc(N2CCN(CC[C@H]3CCCC[N@H+]3C)CC2)c(OC)c1 ZINC000879463707 1292146158 /nfs/dbraw/zinc/14/61/58/1292146158.db2.gz NGSKLRKBGCAFBT-QGZVFWFLSA-N 1 1 347.503 2.700 20 10 EFCDMO O=C1CC[N@@H+](Cc2cccc(C(F)(F)F)c2O)C[C@H]2CCCN12 ZINC001233420083 1312928524 /nfs/dbraw/zinc/92/85/24/1312928524.db2.gz YWOIJOPCRMLRSK-GFCCVEGCSA-N 1 1 328.334 2.608 20 10 EFCDMO O=C1CC[N@H+](Cc2cccc(C(F)(F)F)c2O)C[C@H]2CCCN12 ZINC001233420083 1312928525 /nfs/dbraw/zinc/92/85/25/1312928525.db2.gz YWOIJOPCRMLRSK-GFCCVEGCSA-N 1 1 328.334 2.608 20 10 EFCDMO CN1C(=O)CC[C@@H]2C[N@@H+](Cc3cccc(C(F)(F)F)c3O)CC[C@H]21 ZINC001233419588 1312928742 /nfs/dbraw/zinc/92/87/42/1312928742.db2.gz FKOJKYBQKVPFFC-BXUZGUMPSA-N 1 1 342.361 2.854 20 10 EFCDMO CN1C(=O)CC[C@@H]2C[N@H+](Cc3cccc(C(F)(F)F)c3O)CC[C@H]21 ZINC001233419588 1312928745 /nfs/dbraw/zinc/92/87/45/1312928745.db2.gz FKOJKYBQKVPFFC-BXUZGUMPSA-N 1 1 342.361 2.854 20 10 EFCDMO CN(C)C(=O)[C@@H]1CCC[N@H+](Cc2cccc(C(F)(F)F)c2O)C1 ZINC001233418760 1312928770 /nfs/dbraw/zinc/92/87/70/1312928770.db2.gz VCTVOZHPNBZMFU-GFCCVEGCSA-N 1 1 330.350 2.711 20 10 EFCDMO CN(C)C(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C(F)(F)F)c2O)C1 ZINC001233418760 1312928774 /nfs/dbraw/zinc/92/87/74/1312928774.db2.gz VCTVOZHPNBZMFU-GFCCVEGCSA-N 1 1 330.350 2.711 20 10 EFCDMO CC[N@@H+](CCN1CCOCC1)Cc1ccc(C(F)(F)F)cc1O ZINC001233454875 1312934831 /nfs/dbraw/zinc/93/48/31/1312934831.db2.gz NFUOLCMUFYSWET-UHFFFAOYSA-N 1 1 332.366 2.565 20 10 EFCDMO COC[C@]12COC[C@H]1C[N@@H+](Cc1ccc(C(F)(F)F)cc1O)C2 ZINC001233453907 1312935166 /nfs/dbraw/zinc/93/51/66/1312935166.db2.gz YIYNZSZCJUZWGO-UKRRQHHQSA-N 1 1 331.334 2.506 20 10 EFCDMO COC1C[C@@H]2COC[C@H](C1)[N@@H+]2Cc1ccc(C(F)(F)F)cc1O ZINC001233453867 1312935397 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COC(=O)CCC[N@@H+](Cc1ccccc1)Cc1cc(O)c(O)cc1O ZINC001233482755 1312939342 /nfs/dbraw/zinc/93/93/42/1312939342.db2.gz AZESTAGHEVCOJM-UHFFFAOYSA-N 1 1 345.395 2.759 20 10 EFCDMO CCOC(=O)[C@H]1C[N@@H+](Cc2cc(O)c(O)cc2O)C[C@H]2CCCC[C@@H]12 ZINC001233483930 1312939395 /nfs/dbraw/zinc/93/93/95/1312939395.db2.gz RJBGKJKLAWCBET-YUELXQCFSA-N 1 1 349.427 2.605 20 10 EFCDMO C[C@@H]1CN(Cc2ccc(F)cc2)CC[N@@H+]1Cc1cc(O)c(O)cc1O ZINC001233482222 1312939415 /nfs/dbraw/zinc/93/94/15/1312939415.db2.gz FVRSQAVDGPKJKI-CYBMUJFWSA-N 1 1 346.402 2.649 20 10 EFCDMO C[C@@H]1CN(Cc2ccc(F)cc2)CC[N@H+]1Cc1cc(O)c(O)cc1O ZINC001233482222 1312939419 /nfs/dbraw/zinc/93/94/19/1312939419.db2.gz FVRSQAVDGPKJKI-CYBMUJFWSA-N 1 1 346.402 2.649 20 10 EFCDMO Oc1cc(O)c(C[NH+]2CCN(C/C=C/c3ccccc3)CC2)cc1O ZINC001233482282 1312939479 /nfs/dbraw/zinc/93/94/79/1312939479.db2.gz IHCCEOMJNQJRSO-QPJJXVBHSA-N 1 1 340.423 2.634 20 10 EFCDMO Oc1cc(O)c(CN2CC[NH+](C/C=C/c3ccccc3)CC2)cc1O ZINC001233482282 1312939483 /nfs/dbraw/zinc/93/94/83/1312939483.db2.gz IHCCEOMJNQJRSO-QPJJXVBHSA-N 1 1 340.423 2.634 20 10 EFCDMO COC(=O)[C@@H]1CC[N@@H+](Cc2cc(O)c(O)cc2O)[C@H]1c1ccccc1 ZINC001233484155 1312939491 /nfs/dbraw/zinc/93/94/91/1312939491.db2.gz ZSDFPJKAFCMEBO-KDOFPFPSSA-N 1 1 343.379 2.540 20 10 EFCDMO C[N@@H+](CCc1cccc(C(F)(F)F)n1)Cc1cc(O)c(O)cc1O ZINC001233482263 1312939505 /nfs/dbraw/zinc/93/95/05/1312939505.db2.gz HAWOYTGGOOKDTM-UHFFFAOYSA-N 1 1 342.317 2.892 20 10 EFCDMO Oc1cc(O)c(C[N@@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3OCC2CC2)cc1O ZINC001233484627 1312939908 /nfs/dbraw/zinc/93/99/08/1312939908.db2.gz RIXTVIUGACUQGH-FRIZHTMISA-N 1 1 333.428 2.831 20 10 EFCDMO C[N@@H+](Cc1cc(O)c(O)cc1O)C1CCN(Cc2ccccc2)CC1 ZINC001233483078 1312940014 /nfs/dbraw/zinc/94/00/14/1312940014.db2.gz NBWVXYMXLJAHJL-UHFFFAOYSA-N 1 1 342.439 2.900 20 10 EFCDMO CN(Cc1cc(O)c(O)cc1O)C1CC[NH+](Cc2ccccc2)CC1 ZINC001233483078 1312940015 /nfs/dbraw/zinc/94/00/15/1312940015.db2.gz NBWVXYMXLJAHJL-UHFFFAOYSA-N 1 1 342.439 2.900 20 10 EFCDMO COC(=O)C[C@@H](C)[N@@H+](Cc1ccccc1)Cc1cc(O)c(O)cc1O ZINC001233486755 1312940133 /nfs/dbraw/zinc/94/01/33/1312940133.db2.gz ALJHOTLSZZOOAR-CYBMUJFWSA-N 1 1 345.395 2.757 20 10 EFCDMO CCN(Cc1cc(O)c(O)cc1O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001233485996 1312940489 /nfs/dbraw/zinc/94/04/89/1312940489.db2.gz TVXFDGYENQRCTP-QGZVFWFLSA-N 1 1 342.439 2.900 20 10 EFCDMO CC[N@H+](Cc1cc(O)c(O)cc1O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001233485996 1312940493 /nfs/dbraw/zinc/94/04/93/1312940493.db2.gz TVXFDGYENQRCTP-QGZVFWFLSA-N 1 1 342.439 2.900 20 10 EFCDMO CC[N@@H+](Cc1cc(O)c(O)cc1O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001233485996 1312940497 /nfs/dbraw/zinc/94/04/97/1312940497.db2.gz TVXFDGYENQRCTP-QGZVFWFLSA-N 1 1 342.439 2.900 20 10 EFCDMO CN(Cc1cc(O)c(O)cc1O)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001233486380 1312940700 /nfs/dbraw/zinc/94/07/00/1312940700.db2.gz LAKGLXVGMYITQS-MRXNPFEDSA-N 1 1 342.439 2.757 20 10 EFCDMO CN(Cc1cc(O)c(O)cc1O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001233487690 1312941683 /nfs/dbraw/zinc/94/16/83/1312941683.db2.gz OOEQRTGVZUDONS-KRWDZBQOSA-N 1 1 342.439 2.900 20 10 EFCDMO C[N@H+](Cc1cc(O)c(O)cc1O)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001233487690 1312941687 /nfs/dbraw/zinc/94/16/87/1312941687.db2.gz OOEQRTGVZUDONS-KRWDZBQOSA-N 1 1 342.439 2.900 20 10 EFCDMO C[N@@H+](Cc1cc(O)c(O)cc1O)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001233487690 1312941690 /nfs/dbraw/zinc/94/16/90/1312941690.db2.gz OOEQRTGVZUDONS-KRWDZBQOSA-N 1 1 342.439 2.900 20 10 EFCDMO COC(=O)c1cccc([C@H]2CCC[N@H+]2Cc2cc(O)c(O)cc2O)c1 ZINC001233487497 1312941762 /nfs/dbraw/zinc/94/17/62/1312941762.db2.gz GBZAMAHJISOERA-OAHLLOKOSA-N 1 1 343.379 2.927 20 10 EFCDMO Oc1ccccc1C[N@H+]1CC[C@H]2O[C@H](COc3cccnc3)CC[C@H]21 ZINC001203553052 1312955152 /nfs/dbraw/zinc/95/51/52/1312955152.db2.gz ZPCDOQKENSGGAZ-NLWGTHIKSA-N 1 1 340.423 2.988 20 10 EFCDMO CC[C@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)c1cc(Cl)ccc1[O-] ZINC000775502208 1292788421 /nfs/dbraw/zinc/78/84/21/1292788421.db2.gz QHRILCPMGPSQSA-CJNGLKHVSA-N 1 1 325.884 2.722 20 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/nfs/dbraw/zinc/95/53/00/1312955300.db2.gz VQTYCCBTSRFULD-MJGOQNOKSA-N 1 1 342.414 2.869 20 10 EFCDMO Oc1ccccc1C[N@H+]1CC[C@@H]2[C@H](CCN2Cc2nccs2)C1 ZINC001203552240 1312954440 /nfs/dbraw/zinc/95/44/40/1312954440.db2.gz GADMBYIATGWHEB-GDBMZVCRSA-N 1 1 329.469 2.945 20 10 EFCDMO COc1cccc(C[N@H+]2C[C@@H]3C[C@H](C(=O)NC4CCC4)C[C@@H]3C2)c1O ZINC001203592083 1312964867 /nfs/dbraw/zinc/96/48/67/1312964867.db2.gz CCAIQMAFUDKCOO-PHZGNYQRSA-N 1 1 344.455 2.528 20 10 EFCDMO COc1cccc(C[N@@H+]2CCC[C@H]3[C@@H]2CN3C(=O)OC(C)(C)C)c1O ZINC001203589983 1312964887 /nfs/dbraw/zinc/96/48/87/1312964887.db2.gz PQGDYUUFYHBHFJ-GJZGRUSLSA-N 1 1 348.443 2.985 20 10 EFCDMO COc1cccc(C[N@H+]2CCC[C@H]3[C@@H]2CN3C(=O)OC(C)(C)C)c1O ZINC001203589983 1312964890 /nfs/dbraw/zinc/96/48/90/1312964890.db2.gz PQGDYUUFYHBHFJ-GJZGRUSLSA-N 1 1 348.443 2.985 20 10 EFCDMO COc1cccc(C[N@H+]2CCCC23CN(C(=O)OC(C)(C)C)C3)c1O ZINC001203589999 1312965050 /nfs/dbraw/zinc/96/50/50/1312965050.db2.gz QCZZMMWPNGNWBQ-UHFFFAOYSA-N 1 1 348.443 2.986 20 10 EFCDMO COc1cccc(C[N@H+]2CC[C@@H]3[C@@H](CN3C(=O)OC(C)(C)C)C2)c1O ZINC001203590010 1312965068 /nfs/dbraw/zinc/96/50/68/1312965068.db2.gz QLSLWCYBJXBPKI-HUUCEWRRSA-N 1 1 348.443 2.842 20 10 EFCDMO CCOC[C@@H]1C[N@H+](Cc2cccc(OC)c2O)Cc2nn(CC)cc21 ZINC001203591234 1312965098 /nfs/dbraw/zinc/96/50/98/1312965098.db2.gz DWZSKAOBNFSBKF-HNNXBMFYSA-N 1 1 345.443 2.753 20 10 EFCDMO CCOC[C@@H]1C[N@@H+](Cc2cccc(OC)c2O)Cc2nn(CC)cc21 ZINC001203591234 1312965100 /nfs/dbraw/zinc/96/51/00/1312965100.db2.gz DWZSKAOBNFSBKF-HNNXBMFYSA-N 1 1 345.443 2.753 20 10 EFCDMO COc1cccc(C[N@H+]2CC[C@H]3O[C@H](c4nc(C)no4)CC[C@H]32)c1O ZINC001203591581 1312965421 /nfs/dbraw/zinc/96/54/21/1312965421.db2.gz JQIQEFMAXFSURK-FMKPAKJESA-N 1 1 345.399 2.587 20 10 EFCDMO CCC1(NC(=O)OC(C)(C)C)C[NH+](Cc2cccc(OC)c2O)C1 ZINC001203600150 1312967315 /nfs/dbraw/zinc/96/73/15/1312967315.db2.gz SRNJJJQRNDRWLL-UHFFFAOYSA-N 1 1 336.432 2.890 20 10 EFCDMO COc1cccc(C[N@H+]2CCC[C@H](Oc3nccc(C)n3)C2)c1O ZINC001203601567 1312967663 /nfs/dbraw/zinc/96/76/63/1312967663.db2.gz ANRIETHDWNIMPX-HNNXBMFYSA-N 1 1 329.400 2.543 20 10 EFCDMO COc1cccc(C[N@H+]2CCC[C@@H](Oc3ncc(C)cn3)C2)c1O ZINC001203601904 1312968349 /nfs/dbraw/zinc/96/83/49/1312968349.db2.gz QECMZBUHJSYRHE-OAHLLOKOSA-N 1 1 329.400 2.543 20 10 EFCDMO CCOC[C@@H]1C[N@H+](Cc2cccc(OCC)c2O)Cc2ncn(C)c21 ZINC001203608598 1312970191 /nfs/dbraw/zinc/97/01/91/1312970191.db2.gz VRWMUPSHRPSEJW-HNNXBMFYSA-N 1 1 345.443 2.660 20 10 EFCDMO CCOC[C@@H]1C[N@@H+](Cc2cccc(OCC)c2O)Cc2ncn(C)c21 ZINC001203608598 1312970194 /nfs/dbraw/zinc/97/01/94/1312970194.db2.gz VRWMUPSHRPSEJW-HNNXBMFYSA-N 1 1 345.443 2.660 20 10 EFCDMO CCOc1cccc(C[N@H+]2CC[C@@H](Oc3cccc(OC)n3)C2)c1O ZINC001203617199 1312972345 /nfs/dbraw/zinc/97/23/45/1312972345.db2.gz LPMDAWFFQRFGNX-OAHLLOKOSA-N 1 1 344.411 2.848 20 10 EFCDMO CCOc1cccc(C[N@@H+]2CCc3ncc(C(=O)OC)cc3C2)c1O ZINC001203617028 1312972583 /nfs/dbraw/zinc/97/25/83/1312972583.db2.gz GMEQXNXIJOEWCL-UHFFFAOYSA-N 1 1 342.395 2.531 20 10 EFCDMO CCOc1cccc(C[N@H+]2CCc3ncc(C(=O)OC)cc3C2)c1O ZINC001203617028 1312972585 /nfs/dbraw/zinc/97/25/85/1312972585.db2.gz GMEQXNXIJOEWCL-UHFFFAOYSA-N 1 1 342.395 2.531 20 10 EFCDMO COc1ccc(C[N@H+]2C[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@H]32)c(O)c1 ZINC001203621878 1312972828 /nfs/dbraw/zinc/97/28/28/1312972828.db2.gz JGLLKJZTFMYQCB-GOEBONIOSA-N 1 1 348.443 2.842 20 10 EFCDMO COc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)c(O)c1 ZINC001203622149 1312973133 /nfs/dbraw/zinc/97/31/33/1312973133.db2.gz QVHZJAKHGYMJQW-KBPBESRZSA-N 1 1 334.416 2.594 20 10 EFCDMO COc1ccc(C[N@H+]2CC[C@H]3[C@H]2CC(=O)N3c2ccsc2)c(O)c1 ZINC001203623779 1312974565 /nfs/dbraw/zinc/97/45/65/1312974565.db2.gz WIGZVSUIYMJFAZ-JKSUJKDBSA-N 1 1 344.436 2.842 20 10 EFCDMO COc1ccc(C[N@H+]2CC[C@@]3(C[C@@H](OCC4CC4)CO3)C2)c(O)c1 ZINC001203629975 1312975747 /nfs/dbraw/zinc/97/57/47/1312975747.db2.gz PMDBLWBOKBUKRZ-IEBWSBKVSA-N 1 1 333.428 2.561 20 10 EFCDMO CC[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775556508 1293104936 /nfs/dbraw/zinc/10/49/36/1293104936.db2.gz YXPPWKRQNAEDMN-WFASDCNBSA-N 1 1 333.259 2.806 20 10 EFCDMO CC[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775556508 1293104939 /nfs/dbraw/zinc/10/49/39/1293104939.db2.gz YXPPWKRQNAEDMN-WFASDCNBSA-N 1 1 333.259 2.806 20 10 EFCDMO COC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC001203636570 1312977203 /nfs/dbraw/zinc/97/72/03/1312977203.db2.gz XOPCMLJBRPGHHN-GHMZBOCLSA-N 1 1 342.233 2.928 20 10 EFCDMO COc1ccc(C[N@@H+]2CCN(C(=O)c3ccccc3)C[C@H]2C)c(O)c1 ZINC001203635486 1312977818 /nfs/dbraw/zinc/97/78/18/1312977818.db2.gz XOSMILCYTMROHR-OAHLLOKOSA-N 1 1 340.423 2.747 20 10 EFCDMO COc1ccc(C[N@H+]2CCN(C(=O)c3ccccc3)C[C@H]2C)c(O)c1 ZINC001203635486 1312977821 /nfs/dbraw/zinc/97/78/21/1312977821.db2.gz XOSMILCYTMROHR-OAHLLOKOSA-N 1 1 340.423 2.747 20 10 EFCDMO COC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccc(OC(F)(F)F)c1O ZINC001233727269 1312978684 /nfs/dbraw/zinc/97/86/84/1312978684.db2.gz LLVWOYVBDMUIKW-NSHDSACASA-N 1 1 333.306 2.818 20 10 EFCDMO COC(=O)[C@@H]1CCCC[N@H+]1Cc1cccc(OC(F)(F)F)c1O ZINC001233727269 1312978687 /nfs/dbraw/zinc/97/86/87/1312978687.db2.gz LLVWOYVBDMUIKW-NSHDSACASA-N 1 1 333.306 2.818 20 10 EFCDMO COC(=O)[C@H]1CCC[N@@H+](Cc2cc(Br)ccc2O)CC1 ZINC001203648274 1312980010 /nfs/dbraw/zinc/98/00/10/1312980010.db2.gz HXHVJTGFYQCBRU-NSHDSACASA-N 1 1 342.233 2.930 20 10 EFCDMO C[N@H+]1CCC[C@H]2CN(Cc3cc(Br)ccc3O)C[C@@H]21 ZINC001203650207 1312980152 /nfs/dbraw/zinc/98/01/52/1312980152.db2.gz NEERPQHRASBWQE-FZMZJTMJSA-N 1 1 325.250 2.681 20 10 EFCDMO COC(=O)[C@H]1C[N@@H+](Cc2cc(Br)ccc2O)CC12CC2 ZINC001203648614 1312980159 /nfs/dbraw/zinc/98/01/59/1312980159.db2.gz OBTHMQCBIQDFCM-GFCCVEGCSA-N 1 1 340.217 2.540 20 10 EFCDMO C[N@H+]1CCC[C@@H]2CN(Cc3cc(Br)ccc3O)C[C@H]21 ZINC001203650206 1312980423 /nfs/dbraw/zinc/98/04/23/1312980423.db2.gz NEERPQHRASBWQE-BXUZGUMPSA-N 1 1 325.250 2.681 20 10 EFCDMO O=C1CC[C@@]2(CCC[N@H+](Cc3cc(Br)ccc3O)C2)O1 ZINC001203649806 1312980581 /nfs/dbraw/zinc/98/05/81/1312980581.db2.gz HFZZBYMWGLDAHV-OAHLLOKOSA-N 1 1 340.217 2.826 20 10 EFCDMO COC(=O)[C@@]1(C)CCC[N@@H+]1Cc1cccc(OC(F)(F)F)c1O ZINC001233736369 1312981686 /nfs/dbraw/zinc/98/16/86/1312981686.db2.gz JNLGXDGIZAJUFV-CQSZACIVSA-N 1 1 333.306 2.818 20 10 EFCDMO COC(=O)[C@@]1(C)CCC[N@H+]1Cc1cccc(OC(F)(F)F)c1O ZINC001233736369 1312981690 /nfs/dbraw/zinc/98/16/90/1312981690.db2.gz JNLGXDGIZAJUFV-CQSZACIVSA-N 1 1 333.306 2.818 20 10 EFCDMO CCOC[C@H]1C[N@H+](Cc2cc(Cl)ccc2O)Cc2c1cnn2C ZINC001203655901 1312982510 /nfs/dbraw/zinc/98/25/10/1312982510.db2.gz DQCDSCRTSKWCKC-CYBMUJFWSA-N 1 1 335.835 2.915 20 10 EFCDMO CCOC[C@H]1C[N@@H+](Cc2cc(Cl)ccc2O)Cc2c1cnn2C ZINC001203655901 1312982513 /nfs/dbraw/zinc/98/25/13/1312982513.db2.gz DQCDSCRTSKWCKC-CYBMUJFWSA-N 1 1 335.835 2.915 20 10 EFCDMO COc1ccnc(O[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)n1 ZINC001203665636 1312984469 /nfs/dbraw/zinc/98/44/69/1312984469.db2.gz QPKHPGQHPSAQDF-CQSZACIVSA-N 1 1 349.818 2.888 20 10 EFCDMO Oc1c(CN2CCC[N@H+]3CCC[C@H]3C2)cccc1OC(F)(F)F ZINC001233754716 1312984500 /nfs/dbraw/zinc/98/45/00/1312984500.db2.gz JIBNERPERGCMFH-ZDUSSCGKSA-N 1 1 330.350 2.961 20 10 EFCDMO Oc1c(CN2CCC[N@H+]3CCC[C@@H]3C2)cccc1OC(F)(F)F ZINC001233754715 1312984514 /nfs/dbraw/zinc/98/45/14/1312984514.db2.gz JIBNERPERGCMFH-CYBMUJFWSA-N 1 1 330.350 2.961 20 10 EFCDMO COc1ccc(O)c(C[N@H+]2CC[C@H](F)[C@](O)(C(F)(F)F)CC2)c1 ZINC001203670285 1312985421 /nfs/dbraw/zinc/98/54/21/1312985421.db2.gz MKZWYKBHISVBTQ-KBPBESRZSA-N 1 1 337.313 2.628 20 10 EFCDMO COc1ccc(O)c(C[N@H+]2CCCN(Cc3ccncc3)CC2)c1 ZINC001203669626 1312985478 /nfs/dbraw/zinc/98/54/78/1312985478.db2.gz GOFLJHCYCHGEIC-UHFFFAOYSA-N 1 1 327.428 2.504 20 10 EFCDMO COc1ccc(O)c(C[N@H+]2C[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@H]32)c1 ZINC001203671068 1312985592 /nfs/dbraw/zinc/98/55/92/1312985592.db2.gz IPTAEAPAQHYYFI-GOEBONIOSA-N 1 1 348.443 2.842 20 10 EFCDMO Oc1c(C[N@@H+]2CCc3ncncc3C2)cccc1OC(F)(F)F ZINC001233761720 1312986193 /nfs/dbraw/zinc/98/61/93/1312986193.db2.gz XQEITKILWFNZJS-UHFFFAOYSA-N 1 1 325.290 2.639 20 10 EFCDMO Oc1c(C[N@H+]2CCc3ncncc3C2)cccc1OC(F)(F)F ZINC001233761720 1312986194 /nfs/dbraw/zinc/98/61/94/1312986194.db2.gz XQEITKILWFNZJS-UHFFFAOYSA-N 1 1 325.290 2.639 20 10 EFCDMO COC(=O)[C@H]1C[C@@H](C)C[N@@H+](Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001233760580 1312986233 /nfs/dbraw/zinc/98/62/33/1312986233.db2.gz HYTVBIDVTKLJQD-PWSUYJOCSA-N 1 1 347.333 2.922 20 10 EFCDMO COC(=O)[C@@H]1C[C@H](C)C[N@@H+](Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001233760577 1312986434 /nfs/dbraw/zinc/98/64/34/1312986434.db2.gz HYTVBIDVTKLJQD-CMPLNLGQSA-N 1 1 347.333 2.922 20 10 EFCDMO CCOC[C@@H]1C[N@H+](Cc2cc(OC)ccc2O)Cc2nn(CC)cc21 ZINC001203671929 1312986471 /nfs/dbraw/zinc/98/64/71/1312986471.db2.gz ZPNIDZVMTANPFU-HNNXBMFYSA-N 1 1 345.443 2.753 20 10 EFCDMO CCOC[C@@H]1C[N@@H+](Cc2cc(OC)ccc2O)Cc2nn(CC)cc21 ZINC001203671929 1312986474 /nfs/dbraw/zinc/98/64/74/1312986474.db2.gz ZPNIDZVMTANPFU-HNNXBMFYSA-N 1 1 345.443 2.753 20 10 EFCDMO COc1ccc(O)c(C[N@H+]2CC[C@H]3O[C@@H](COCC4CC4)CC[C@H]32)c1 ZINC001203672820 1312986506 /nfs/dbraw/zinc/98/65/06/1312986506.db2.gz FGDABFAUBZKXLQ-QWFCFKBJSA-N 1 1 347.455 2.949 20 10 EFCDMO COCC[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1cc(OC)ccc1O)C2 ZINC001203673464 1312986571 /nfs/dbraw/zinc/98/65/71/1312986571.db2.gz ZQXQKPMVFXBVNK-DNVCBOLYSA-N 1 1 335.444 2.808 20 10 EFCDMO COc1ccc(O)c(C[N@H+]2CCC[C@]3(CCN(CC4CC4)C3=O)C2)c1 ZINC001203673085 1312986602 /nfs/dbraw/zinc/98/66/02/1312986602.db2.gz MFYWSKDQSXQLHE-FQEVSTJZSA-N 1 1 344.455 2.625 20 10 EFCDMO COCC[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1cc(OC)ccc1O)C2 ZINC001203673466 1312986642 /nfs/dbraw/zinc/98/66/42/1312986642.db2.gz ZQXQKPMVFXBVNK-KXBFYZLASA-N 1 1 335.444 2.808 20 10 EFCDMO Cn1ncc2c1C[N@H+](Cc1cccc(OC(F)(F)F)c1O)CC2 ZINC001233767342 1312987921 /nfs/dbraw/zinc/98/79/21/1312987921.db2.gz AKQSEINLULQVNY-UHFFFAOYSA-N 1 1 327.306 2.583 20 10 EFCDMO Cn1ncc2c1C[N@@H+](Cc1cccc(OC(F)(F)F)c1O)CC2 ZINC001233767342 1312987925 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EFCDMO CCOc1ccc(N2CC[NH+](Cc3c(O)cccc3Cl)CC2)nn1 ZINC000827798304 1316017230 /nfs/dbraw/zinc/01/72/30/1316017230.db2.gz FYMKREMLMBQJDL-UHFFFAOYSA-N 1 1 348.834 2.557 20 10 EFCDMO C[C@@H]1CC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C[N@H+]1CC1CC1 ZINC001072103353 1316358518 /nfs/dbraw/zinc/35/85/18/1316358518.db2.gz XRJAOUSKDXQUHR-MLGOLLRUSA-N 1 1 343.431 2.842 20 10 EFCDMO Oc1ccc2ccccc2c1C[N@H+]1CC[C@H]2CN(Cc3cn[nH]c3)C[C@H]21 ZINC001279293772 1317228150 /nfs/dbraw/zinc/22/81/50/1317228150.db2.gz OSZKPNNTLHQPTQ-FXAWDEMLSA-N 1 1 348.450 2.975 20 10 EFCDMO CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc(N=NC(N)=O)cc3)C[C@H]21 ZINC001042371672 1317230066 /nfs/dbraw/zinc/23/00/66/1317230066.db2.gz UJJKEQDRUGJTRQ-CZUORRHYSA-N 1 1 343.431 2.795 20 10 EFCDMO CC[C@H]1CN(Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C[C@H](C)O1 ZINC001319704830 1328956935 /nfs/dbraw/zinc/95/69/35/1328956935.db2.gz DAGQERFHYUBJIM-RDJZCZTQSA-N 1 1 335.467 2.577 20 10 EFCDMO NC(=O)[C@@H]1c2ccccc2CC[N@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001319815585 1329000090 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EFCDMO COc1c(O)c(C[NH2+]CCc2ccc(N(C)C)cc2)ccc1[N+](=O)[O-] ZINC001322150692 1329433377 /nfs/dbraw/zinc/43/33/77/1329433377.db2.gz XMAQAAHPXIFYIB-UHFFFAOYSA-N 1 1 345.399 2.707 20 10 EFCDMO C[C@@H](O)C[C@@H]1CCCC[N@H+]1Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001322338438 1329449171 /nfs/dbraw/zinc/44/91/71/1329449171.db2.gz KHYPVVCSJTZLMQ-AEFFLSMTSA-N 1 1 349.494 2.703 20 10 EFCDMO COc1ncccc1NCc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001322422061 1329457256 /nfs/dbraw/zinc/45/72/56/1329457256.db2.gz YTNDJIDFYUMZJD-UHFFFAOYSA-N 1 1 330.407 2.593 20 10 EFCDMO Nc1cc(NC2CCN(c3ccc(OC(F)F)cc3)CC2)nc[nH+]1 ZINC001322496114 1329463160 /nfs/dbraw/zinc/46/31/60/1329463160.db2.gz LBTNTKWAHNZPAN-UHFFFAOYSA-N 1 1 335.358 2.741 20 10 EFCDMO Nc1cc(NC2CCN(c3ccc(OC(F)F)cc3)CC2)[nH+]cn1 ZINC001322496114 1329463161 /nfs/dbraw/zinc/46/31/61/1329463161.db2.gz LBTNTKWAHNZPAN-UHFFFAOYSA-N 1 1 335.358 2.741 20 10 EFCDMO CC(C)[C@]1(CO)CC[N@H+](Cc2cccc(Br)c2O)C1 ZINC001324634326 1329646699 /nfs/dbraw/zinc/64/66/99/1329646699.db2.gz RDTVNHGGLKZXKC-OAHLLOKOSA-N 1 1 328.250 2.995 20 10 EFCDMO CC(C)[C@]1(CO)CC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC001324634326 1329646700 /nfs/dbraw/zinc/64/67/00/1329646700.db2.gz RDTVNHGGLKZXKC-OAHLLOKOSA-N 1 1 328.250 2.995 20 10 EFCDMO CCOc1cccc(C[N@H+]2CCCN(Cc3cc(C)on3)CC2)c1O ZINC001324732445 1329654513 /nfs/dbraw/zinc/65/45/13/1329654513.db2.gz QUISGRZROGSOON-UHFFFAOYSA-N 1 1 345.443 2.795 20 10 EFCDMO COC(=O)C[N@@H+](Cc1cc(Br)ccc1O)CC(C)C ZINC001324749756 1329655551 /nfs/dbraw/zinc/65/55/51/1329655551.db2.gz GAGDAJUNFJXJOM-UHFFFAOYSA-N 1 1 330.222 2.786 20 10 EFCDMO COC(=O)C[N@H+](Cc1cc(Br)ccc1O)CC(C)C ZINC001324749756 1329655553 /nfs/dbraw/zinc/65/55/53/1329655553.db2.gz GAGDAJUNFJXJOM-UHFFFAOYSA-N 1 1 330.222 2.786 20 10 EFCDMO C[NH+]1CCN(c2ccc(CN3CCC[C@@H]3c3ncc[nH]3)cc2F)CC1 ZINC001326062359 1329731598 /nfs/dbraw/zinc/73/15/98/1329731598.db2.gz SIBBZGIMBIQWSK-GOSISDBHSA-N 1 1 343.450 2.638 20 10 EFCDMO C[NH+]1CCN(c2ccc(CN3CCC[C@H]3c3ncc[nH]3)cc2F)CC1 ZINC001326062364 1329731660 /nfs/dbraw/zinc/73/16/60/1329731660.db2.gz SIBBZGIMBIQWSK-SFHVURJKSA-N 1 1 343.450 2.638 20 10 EFCDMO C[C@@H]1CN(Cc2ccc(N3CCCC3)cc2)CC[N@H+]1CC(C)(C)O ZINC001326060454 1329731736 /nfs/dbraw/zinc/73/17/36/1329731736.db2.gz JFTZNHFGGXGZPY-QGZVFWFLSA-N 1 1 331.504 2.564 20 10 EFCDMO C[C@@H]1CCSCC[N@H+]1Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001326279280 1329743934 /nfs/dbraw/zinc/74/39/34/1329743934.db2.gz GKFVBCDXNYEMPE-OAHLLOKOSA-N 1 1 337.508 2.905 20 10 EFCDMO C[C@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)[C@@H]1CC[NH3+] ZINC001328644444 1330611561 /nfs/dbraw/zinc/61/15/61/1330611561.db2.gz ZDRKVGHUTNWBHN-QFBILLFUSA-N 1 1 348.510 2.527 20 10 EFCDMO Oc1cc(Br)ccc1C[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC001328757928 1330627490 /nfs/dbraw/zinc/62/74/90/1330627490.db2.gz BPLBCKUFUNDJKY-ZDUSSCGKSA-N 1 1 337.221 2.583 20 10 EFCDMO C[C@H]1C[N@@H+](CCCNCc2cc(F)c(N(C)C)cc2F)CCCO1 ZINC001329160269 1330674773 /nfs/dbraw/zinc/67/47/73/1330674773.db2.gz ZGWJFVVWWXGXAH-AWEZNQCLSA-N 1 1 341.446 2.621 20 10 EFCDMO C[C@@H]1C[N@@H+](CCCNCc2cc(F)c(N(C)C)cc2F)CCCO1 ZINC001329160270 1330674849 /nfs/dbraw/zinc/67/48/49/1330674849.db2.gz ZGWJFVVWWXGXAH-CQSZACIVSA-N 1 1 341.446 2.621 20 10 EFCDMO Cc1ccc(O)c(CNC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccncc2)c1 ZINC001329175825 1330677073 /nfs/dbraw/zinc/67/70/73/1330677073.db2.gz DMYGCRMRESBJPZ-SFHVURJKSA-N 1 1 339.439 2.767 20 10 EFCDMO Cc1ccc(O)c(CNC(=O)[C@@H]2CCCC[N@H+]2Cc2ccncc2)c1 ZINC001329175825 1330677076 /nfs/dbraw/zinc/67/70/76/1330677076.db2.gz DMYGCRMRESBJPZ-SFHVURJKSA-N 1 1 339.439 2.767 20 10 EFCDMO O=C([C@@H]1CC[N@@H+](Cc2ccc(N3CCCC3)cc2)C1)N1CCCC1 ZINC001329839779 1330742027 /nfs/dbraw/zinc/74/20/27/1330742027.db2.gz OFHUMJKQZNACDF-GOSISDBHSA-N 1 1 327.472 2.731 20 10 EFCDMO C[C@H]([NH2+]CCN1C(=O)COc2ccccc21)c1c(O)cccc1F ZINC001332366256 1330963828 /nfs/dbraw/zinc/96/38/28/1330963828.db2.gz VZMTYGGTFYOOEG-LBPRGKRZSA-N 1 1 330.359 2.608 20 10 EFCDMO COc1cc(C)cc(C[N@H+]2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)c1O ZINC001332691129 1331003343 /nfs/dbraw/zinc/00/33/43/1331003343.db2.gz JKZVGNVKHMSRNN-DLBZAZTESA-N 1 1 345.443 2.531 20 10 EFCDMO CN1CCN(c2ccc(C[NH2+]Cc3cccc4c[nH]nc43)cc2)CC1 ZINC001333161012 1331086206 /nfs/dbraw/zinc/08/62/06/1331086206.db2.gz HZSIVPJKSPZWTD-UHFFFAOYSA-N 1 1 335.455 2.605 20 10 EFCDMO Nc1ccc(C[N@H+]2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)cc1 ZINC001334774028 1331305132 /nfs/dbraw/zinc/30/51/32/1331305132.db2.gz CJPBVUZAGRVGBA-QGZVFWFLSA-N 1 1 328.391 2.804 20 10 EFCDMO COc1ccc(CN2CCC[N@H+](Cc3ccc(N)cc3)CC2=O)cc1 ZINC001334775117 1331305222 /nfs/dbraw/zinc/30/52/22/1331305222.db2.gz RXGKPPHAWGCDIF-UHFFFAOYSA-N 1 1 339.439 2.512 20 10 EFCDMO COc1ccc(CN2CCC[N@@H+](Cc3ccc(N)cc3)CC2=O)cc1 ZINC001334775117 1331305227 /nfs/dbraw/zinc/30/52/27/1331305227.db2.gz RXGKPPHAWGCDIF-UHFFFAOYSA-N 1 1 339.439 2.512 20 10 EFCDMO Cc1cccc(C[NH+]2CCN(C(=O)NCc3ccc(N)cc3)CC2)c1 ZINC001335736666 1331395945 /nfs/dbraw/zinc/39/59/45/1331395945.db2.gz FFNRDKNUHUNOPG-UHFFFAOYSA-N 1 1 338.455 2.605 20 10 EFCDMO C[NH+](C)[C@@H](C(=O)NCc1ccc(O)c(O)c1)c1cccc(Cl)c1 ZINC001337395529 1331570087 /nfs/dbraw/zinc/57/00/87/1331570087.db2.gz LGMDNXSEWJPAFX-MRXNPFEDSA-N 1 1 334.803 2.670 20 10 EFCDMO CC[N@@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1ccc(N)cc1 ZINC001337838605 1331603405 /nfs/dbraw/zinc/60/34/05/1331603405.db2.gz QIRCPVOQRSRABD-UHFFFAOYSA-N 1 1 340.427 2.688 20 10 EFCDMO C[NH+](C)[C@@H]1CCCC[C@@H]1NCc1ccc(N2CCOCC2)c(F)c1 ZINC001338886813 1331753054 /nfs/dbraw/zinc/75/30/54/1331753054.db2.gz IFPWJNFUOUPAIA-PKOBYXMFSA-N 1 1 335.467 2.625 20 10 EFCDMO Nc1ccc(CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)cc1 ZINC001343473412 1332348898 /nfs/dbraw/zinc/34/88/98/1332348898.db2.gz MEOBWEDHVXGBAB-GOSISDBHSA-N 1 1 327.403 2.689 20 10 EFCDMO Nc1ccc(CNC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)cc1 ZINC001343473412 1332348901 /nfs/dbraw/zinc/34/89/01/1332348901.db2.gz MEOBWEDHVXGBAB-GOSISDBHSA-N 1 1 327.403 2.689 20 10 EFCDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)NCc2ccc(N)cc2)C1 ZINC001346739082 1332680077 /nfs/dbraw/zinc/68/00/77/1332680077.db2.gz MTZIUAGOWHZGQT-IBGZPJMESA-N 1 1 338.455 2.685 20 10 EFCDMO O=C(Nc1c2nonc2ccc1Cl)c1ccn(-c2cc[nH+]cc2)n1 ZINC001346941650 1332705246 /nfs/dbraw/zinc/70/52/46/1332705246.db2.gz WBONJBMPXWTQJR-UHFFFAOYSA-N 1 1 340.730 2.709 20 10 EFCDMO Cc1cc(F)cc(NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)[nH+]1 ZINC001347932085 1332786241 /nfs/dbraw/zinc/78/62/41/1332786241.db2.gz KHOCTBMEXFTOEX-OAHLLOKOSA-N 1 1 342.418 2.843 20 10 EFCDMO COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CC[C@H]3C[C@H](C)C[N@H+]3C2)c1 ZINC001348141828 1332803571 /nfs/dbraw/zinc/80/35/71/1332803571.db2.gz ZLONYJCZDLXGCU-XQLPTFJDSA-N 1 1 332.444 2.698 20 10 EFCDMO C[C@@H]1C[C@H]2CC[C@@H](C(=O)N3CCOc4cc(N(C)C)ccc43)C[N@H+]2C1 ZINC001349147746 1332911669 /nfs/dbraw/zinc/91/16/69/1332911669.db2.gz QENQQLGRMDIGAL-BFYDXBDKSA-N 1 1 343.471 2.598 20 10 EFCDMO O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1[O-] ZINC001349325479 1332938304 /nfs/dbraw/zinc/93/83/04/1332938304.db2.gz OLAYPYHFRJQDCK-UHFFFAOYSA-N 1 1 339.823 2.919 20 10 EFCDMO COc1ccc(C[N@H+]2CCC[C@@H](Cc3nccn3C)C2)c(O)c1OC ZINC001352015609 1333353330 /nfs/dbraw/zinc/35/33/30/1333353330.db2.gz HCFIWXXNUUOKCS-AWEZNQCLSA-N 1 1 345.443 2.598 20 10 EFCDMO CN(C)c1ccc(CN(C)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000847443678 1333725813 /nfs/dbraw/zinc/72/58/13/1333725813.db2.gz URPCLJZGRQWJNF-OALUTQOASA-N 1 1 344.503 2.911 20 10 EFCDMO O=C(NCc1cc(Cl)ccc1O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000847446622 1333731234 /nfs/dbraw/zinc/73/12/34/1333731234.db2.gz IHMNMDDEBPSOEU-CABCVRRESA-N 1 1 337.851 2.862 20 10 EFCDMO CC(=O)N1C[C@@H]2C[N@H+](Cc3cc(C)cc(C(C)(C)C)c3O)C[C@@H]2C1 ZINC001353199782 1334005472 /nfs/dbraw/zinc/00/54/72/1334005472.db2.gz STXUXTQJIWMXLS-CALCHBBNSA-N 1 1 330.472 2.908 20 10 EFCDMO CCc1cccc(C[N@H+]2CCCNC(=O)[C@H]2Cc2ccccc2)c1O ZINC000848914524 1334983126 /nfs/dbraw/zinc/98/31/26/1334983126.db2.gz PDMLYXPUSOUEFC-LJQANCHMSA-N 1 1 338.451 2.888 20 10 EFCDMO CCOC(=O)CC[N@H+](Cc1ccc(N2CCN(C)CC2)cc1)C(C)C ZINC000848927555 1334991851 /nfs/dbraw/zinc/99/18/51/1334991851.db2.gz HQVCWMGNMYCRRN-UHFFFAOYSA-N 1 1 347.503 2.602 20 10 EFCDMO CCOC(=O)CC[N@@H+](Cc1ccc(N2CCN(C)CC2)cc1)C(C)C ZINC000848927555 1334991856 /nfs/dbraw/zinc/99/18/56/1334991856.db2.gz HQVCWMGNMYCRRN-UHFFFAOYSA-N 1 1 347.503 2.602 20 10 EFCDMO NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CC[N@@H+](CCCCCF)C2)cc1 ZINC001690112811 1417156765 /nfs/dbraw/zinc/15/67/65/1417156765.db2.gz MNMFNRROTPYOTE-OAHLLOKOSA-N 1 1 349.410 2.793 20 10 EFCDMO Oc1cc2c(cc1C[N@H+]1CCC[C@@H](CN3CCOCC3)C1)CCCC2 ZINC000160184883 712914354 /nfs/dbraw/zinc/91/43/54/712914354.db2.gz SVNXWCPECDEDNJ-KRWDZBQOSA-N 1 1 344.499 2.815 20 10 EFCDMO CC[N@H+]1CCCCC[C@@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000969158893 712944287 /nfs/dbraw/zinc/94/42/87/712944287.db2.gz UVMRTKNWGODKAE-OAHLLOKOSA-N 1 1 331.420 2.843 20 10 EFCDMO C[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C1C[NH+](C/C=C\Cl)C1 ZINC000970955335 714178760 /nfs/dbraw/zinc/17/87/60/714178760.db2.gz UWIMUUQDSNXMRF-ZVTOAQRHSA-N 1 1 349.822 2.652 20 10 EFCDMO C[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C1C[NH+](C/C=C\Cl)C1 ZINC000970955333 714178955 /nfs/dbraw/zinc/17/89/55/714178955.db2.gz UWIMUUQDSNXMRF-GXLOUMRASA-N 1 1 349.822 2.652 20 10 EFCDMO COc1ccc(N2CC[NH+](C[C@@H](O)c3cccc(F)c3)CC2)cc1 ZINC000051092611 714656141 /nfs/dbraw/zinc/65/61/41/714656141.db2.gz KYLSBIIHBSUAMQ-LJQANCHMSA-N 1 1 330.403 2.690 20 10 EFCDMO COc1ccc(N2CC[NH+](C[C@H](O)c3cccc(F)c3)CC2)cc1 ZINC000051092609 714656189 /nfs/dbraw/zinc/65/61/89/714656189.db2.gz KYLSBIIHBSUAMQ-IBGZPJMESA-N 1 1 330.403 2.690 20 10 EFCDMO COc1ccc(C[NH+]2CCN(c3ccccc3F)CC2)c(O)c1OC ZINC000891444664 714700697 /nfs/dbraw/zinc/70/06/97/714700697.db2.gz KOQSASLZYGIKNP-UHFFFAOYSA-N 1 1 346.402 2.871 20 10 EFCDMO Cn1ncc(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)c1C1CC1 ZINC000891530465 714802435 /nfs/dbraw/zinc/80/24/35/714802435.db2.gz YWTZWLMSMQWDFW-UHFFFAOYSA-N 1 1 340.471 2.766 20 10 EFCDMO Oc1cc2c(cc1C[NH+]1CCN(c3cc(F)ccc3F)CC1)OCO2 ZINC000176211881 715187205 /nfs/dbraw/zinc/18/72/05/715187205.db2.gz DJSSMPXWYMYXKN-UHFFFAOYSA-N 1 1 348.349 2.721 20 10 EFCDMO COc1ccc(C[N@@H+](CCO)[C@H]2CCc3ccccc32)c(O)c1OC ZINC000892043738 715231923 /nfs/dbraw/zinc/23/19/23/715231923.db2.gz ZHVMXRPEUPTZDY-KRWDZBQOSA-N 1 1 343.423 2.891 20 10 EFCDMO COc1ccc(C[N@H+](CC(=O)OC(C)(C)C)C(C)C)c(O)c1OC ZINC000892122520 715263866 /nfs/dbraw/zinc/26/38/66/715263866.db2.gz XPUOHCVJWCWUFJ-UHFFFAOYSA-N 1 1 339.432 2.962 20 10 EFCDMO COc1ccc(C[N@@H+](CC(=O)OC(C)(C)C)C(C)C)c(O)c1OC ZINC000892122520 715263868 /nfs/dbraw/zinc/26/38/68/715263868.db2.gz XPUOHCVJWCWUFJ-UHFFFAOYSA-N 1 1 339.432 2.962 20 10 EFCDMO CCC[N@@H+](Cc1ccc(N(CC)CC)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000161115287 715279607 /nfs/dbraw/zinc/27/96/07/715279607.db2.gz SURYLPRKADMDOB-GOSISDBHSA-N 1 1 338.517 2.932 20 10 EFCDMO CCC[N@H+]1CCC[C@H]1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000124368482 715298764 /nfs/dbraw/zinc/29/87/64/715298764.db2.gz IPVQDBPQWIQMDF-SFHVURJKSA-N 1 1 347.528 2.730 20 10 EFCDMO CCC[N@H+]1CCC[C@@H]1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000124368283 715298895 /nfs/dbraw/zinc/29/88/95/715298895.db2.gz IPVQDBPQWIQMDF-GOSISDBHSA-N 1 1 347.528 2.730 20 10 EFCDMO COc1ccc(C[N@@H+](C)[C@@H]2CCCc3c2cnn3C)c(O)c1OC ZINC000892194952 715319528 /nfs/dbraw/zinc/31/95/28/715319528.db2.gz KBCUHHXBYXDYMA-CQSZACIVSA-N 1 1 331.416 2.652 20 10 EFCDMO COc1ccc(C[N@@H+](C)[C@H]2CCCc3c2cnn3C)c(O)c1OC ZINC000892194948 715319815 /nfs/dbraw/zinc/31/98/15/715319815.db2.gz KBCUHHXBYXDYMA-AWEZNQCLSA-N 1 1 331.416 2.652 20 10 EFCDMO COc1ccc(CN2CC[N@@H+](C)CC23CCCCC3)c(O)c1OC ZINC000892200351 715330203 /nfs/dbraw/zinc/33/02/03/715330203.db2.gz FUKVKGMFLFUKFW-UHFFFAOYSA-N 1 1 334.460 2.860 20 10 EFCDMO COc1ccc(C[N@@H+]2CCN(C)CC23CCCCC3)c(O)c1OC ZINC000892200351 715330209 /nfs/dbraw/zinc/33/02/09/715330209.db2.gz FUKVKGMFLFUKFW-UHFFFAOYSA-N 1 1 334.460 2.860 20 10 EFCDMO COc1ccc(C[N@H+]2CCN(C)CC23CCCCC3)c(O)c1OC ZINC000892200351 715330213 /nfs/dbraw/zinc/33/02/13/715330213.db2.gz FUKVKGMFLFUKFW-UHFFFAOYSA-N 1 1 334.460 2.860 20 10 EFCDMO COc1ccc(N2CC[NH+](Cc3cnn(C)c3C3CC3)CC2)cc1F ZINC000892222214 715369831 /nfs/dbraw/zinc/36/98/31/715369831.db2.gz QEMBADZALWVNEK-UHFFFAOYSA-N 1 1 344.434 2.767 20 10 EFCDMO COc1ccc(N2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)N4C)CC2)cc1 ZINC000178440039 715911829 /nfs/dbraw/zinc/91/18/29/715911829.db2.gz NSIPILWVXRHIAS-JLYLLQBASA-N 1 1 329.488 2.879 20 10 EFCDMO CCN1CCC([N@@H+](C)Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000125224690 715994575 /nfs/dbraw/zinc/99/45/75/715994575.db2.gz QIKVCFKYRKIFMP-UHFFFAOYSA-N 1 1 327.812 2.870 20 10 EFCDMO CC[NH+]1CCC([N@@H+](C)Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000125224690 715994579 /nfs/dbraw/zinc/99/45/79/715994579.db2.gz QIKVCFKYRKIFMP-UHFFFAOYSA-N 1 1 327.812 2.870 20 10 EFCDMO COc1ccc(N2CCC[N@H+]([C@H](C)C(=O)NCCC(C)C)CC2)cc1 ZINC000052466723 716197384 /nfs/dbraw/zinc/19/73/84/716197384.db2.gz ZKPQHCMYWOEDSG-QGZVFWFLSA-N 1 1 347.503 2.758 20 10 EFCDMO COc1ccc(N2CCC[N@H+]([C@@H](C)C(=O)NCCC(C)C)CC2)cc1 ZINC000052466725 716197592 /nfs/dbraw/zinc/19/75/92/716197592.db2.gz ZKPQHCMYWOEDSG-KRWDZBQOSA-N 1 1 347.503 2.758 20 10 EFCDMO CC(C)[N@H+]1C[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C(C)(C)C1 ZINC000977665744 716462381 /nfs/dbraw/zinc/46/23/81/716462381.db2.gz YOQNYUNNDQPLHQ-CQSZACIVSA-N 1 1 331.420 2.698 20 10 EFCDMO CC(C)[N@@H+](C)[C@@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001027698277 716558351 /nfs/dbraw/zinc/55/83/51/716558351.db2.gz HEYDHBWNDLLOCC-OAHLLOKOSA-N 1 1 331.420 2.794 20 10 EFCDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001023769703 716989681 /nfs/dbraw/zinc/98/96/81/716989681.db2.gz CIJYTIKFIYDUJJ-ZDUSSCGKSA-N 1 1 331.420 2.699 20 10 EFCDMO CC(C)C[N@@H+](C)[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000980511864 717377091 /nfs/dbraw/zinc/37/70/91/717377091.db2.gz SNFYMCOHKOHNGG-OAHLLOKOSA-N 1 1 331.420 2.651 20 10 EFCDMO COc1ccc(CNCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c(O)c1OC ZINC000892591757 718318380 /nfs/dbraw/zinc/31/83/80/718318380.db2.gz JIUYZJDSTFDWTC-GASCZTMLSA-N 1 1 336.476 2.867 20 10 EFCDMO COc1ccc(CNCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c(O)c1OC ZINC000892591757 718318383 /nfs/dbraw/zinc/31/83/83/718318383.db2.gz JIUYZJDSTFDWTC-GASCZTMLSA-N 1 1 336.476 2.867 20 10 EFCDMO COc1ccc(CNCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c(O)c1OC ZINC000892591761 718318418 /nfs/dbraw/zinc/31/84/18/718318418.db2.gz JIUYZJDSTFDWTC-HUUCEWRRSA-N 1 1 336.476 2.867 20 10 EFCDMO COc1ccc(CN[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)c(O)c1OC ZINC000892674951 718472388 /nfs/dbraw/zinc/47/23/88/718472388.db2.gz LVFSLRXBVNGFQH-QLFBSQMISA-N 1 1 336.476 2.865 20 10 EFCDMO COc1ccc(CN[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)c(O)c1OC ZINC000892674951 718472389 /nfs/dbraw/zinc/47/23/89/718472389.db2.gz LVFSLRXBVNGFQH-QLFBSQMISA-N 1 1 336.476 2.865 20 10 EFCDMO CCOC(=O)c1ncc(C[NH2+]Cc2ccc(N(C)C)c(F)c2)s1 ZINC000892737622 719092541 /nfs/dbraw/zinc/09/25/41/719092541.db2.gz GHDGFARCAZHCHK-UHFFFAOYSA-N 1 1 337.420 2.815 20 10 EFCDMO COc1ccc(C[NH2+]Cc2nc(C)c3ccccc3n2)c(O)c1OC ZINC000892805601 719200836 /nfs/dbraw/zinc/20/08/36/719200836.db2.gz OZTWONCOJHJLHN-UHFFFAOYSA-N 1 1 339.395 2.951 20 10 EFCDMO Cc1cccc(C[NH+]2CCN(C(=O)c3cccc(F)c3)CC2)c1O ZINC000179674026 719828456 /nfs/dbraw/zinc/82/84/56/719828456.db2.gz WPRDALOKLPCHJU-UHFFFAOYSA-N 1 1 328.387 2.798 20 10 EFCDMO COc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)c(O)c1OC ZINC000893202103 720034793 /nfs/dbraw/zinc/03/47/93/720034793.db2.gz ZFAKXPYXNCIKEP-HNNXBMFYSA-N 1 1 336.476 2.867 20 10 EFCDMO CC(C)CNC(=O)C1CC[NH+](Cc2cc(F)cc(F)c2O)CC1 ZINC000893918376 720160078 /nfs/dbraw/zinc/16/00/78/720160078.db2.gz CBFLSRSPVPOENN-UHFFFAOYSA-N 1 1 326.387 2.655 20 10 EFCDMO Oc1c(F)cc(F)cc1C[NH+]1CCC(OC[C@H]2CCCO2)CC1 ZINC000893979830 720195359 /nfs/dbraw/zinc/19/53/59/720195359.db2.gz FUEDBAFKHYADMS-OAHLLOKOSA-N 1 1 327.371 2.830 20 10 EFCDMO CC(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000893983516 720204328 /nfs/dbraw/zinc/20/43/28/720204328.db2.gz 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CC(C)(C)c1cc(C[N@H+]2C[C@@H](O)C[C@H]2CO)c(O)c(C(C)(C)C)c1 ZINC000187669920 720517012 /nfs/dbraw/zinc/51/70/12/720517012.db2.gz DAJITYGCQRKOFU-HOTGVXAUSA-N 1 1 335.488 2.915 20 10 EFCDMO C[C@@H](F)CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001028345324 720531345 /nfs/dbraw/zinc/53/13/45/720531345.db2.gz ZVTHYDQZVDSDFP-DOMZBBRYSA-N 1 1 349.410 2.791 20 10 EFCDMO COc1ccc(C[N@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)c(O)c1OC ZINC000893318186 720591239 /nfs/dbraw/zinc/59/12/39/720591239.db2.gz RYMVMYXRXWRGFL-IBGZPJMESA-N 1 1 347.386 2.642 20 10 EFCDMO COc1ccc(C[NH2+]CCc2ccc3cn[nH]c3c2)c(O)c1OC ZINC000894293127 721972316 /nfs/dbraw/zinc/97/23/16/721972316.db2.gz HQUXGFRFHNXSGH-UHFFFAOYSA-N 1 1 327.384 2.618 20 10 EFCDMO C[C@@H](F)CC[N@H+]1CC[C@@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001029013827 722637353 /nfs/dbraw/zinc/63/73/53/722637353.db2.gz IPXPJIUXOGCLIF-OLZOCXBDSA-N 1 1 349.410 2.649 20 10 EFCDMO C[C@H](F)CC[N@H+]1CC[C@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001029013828 722637360 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CN(C)c1ccc(C[N@@H+](C[C@@H](O)COCc2ccco2)C2CC2)cc1 ZINC000917014232 727754889 /nfs/dbraw/zinc/75/48/89/727754889.db2.gz PDLLNYRUNLIEBA-LJQANCHMSA-N 1 1 344.455 2.888 20 10 EFCDMO COC(=O)c1occc1C[N@@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000917088403 727766100 /nfs/dbraw/zinc/76/61/00/727766100.db2.gz VPFFOTYKGHJHCC-UHFFFAOYSA-N 1 1 344.411 2.787 20 10 EFCDMO COC(=O)c1occc1C[N@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000917088403 727766101 /nfs/dbraw/zinc/76/61/01/727766101.db2.gz VPFFOTYKGHJHCC-UHFFFAOYSA-N 1 1 344.411 2.787 20 10 EFCDMO CCC[N@H+]1CCC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)[C@H]1C ZINC000994497171 727771958 /nfs/dbraw/zinc/77/19/58/727771958.db2.gz QJMIOJYZSVGYEL-IUODEOHRSA-N 1 1 331.420 2.842 20 10 EFCDMO C[C@H]1[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CCC[N@H+]1CCCF ZINC000994497772 727772126 /nfs/dbraw/zinc/77/21/26/727772126.db2.gz RENZGSUYHWOCRB-WFASDCNBSA-N 1 1 349.410 2.791 20 10 EFCDMO C[C@@H]1C[C@H](NC(=O)NCCCSc2nccs2)C[N@H+]1C1CC1 ZINC000154409457 727811642 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CCN(CC)c1ccc(CNC(=O)NC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000171755780 728551021 /nfs/dbraw/zinc/55/10/21/728551021.db2.gz GRJAKOQGRLELQM-KRWDZBQOSA-N 1 1 332.492 2.674 20 10 EFCDMO CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CCC[C@@H]2CN2CCOCC2)c1 ZINC000173374303 728624676 /nfs/dbraw/zinc/62/46/76/728624676.db2.gz ZRJRMSRBSAUUGW-QGZVFWFLSA-N 1 1 348.487 2.692 20 10 EFCDMO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000179882815 729645621 /nfs/dbraw/zinc/64/56/21/729645621.db2.gz AUWVBGFJZJYFFG-UHFFFAOYSA-N 1 1 331.347 2.762 20 10 EFCDMO N#Cc1c(F)cccc1N1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000179941812 729653510 /nfs/dbraw/zinc/65/35/10/729653510.db2.gz SVICCMDTUPXHNT-UHFFFAOYSA-N 1 1 329.350 2.864 20 10 EFCDMO COc1ccc(O)c(C[N@H+](C)CC(=O)Nc2cc(F)cc(F)c2)c1 ZINC000180028401 729670762 /nfs/dbraw/zinc/67/07/62/729670762.db2.gz QWGIDGQNJUGSQG-UHFFFAOYSA-N 1 1 336.338 2.750 20 10 EFCDMO COc1ccc(O)c(C[N@@H+](C)CC(=O)Nc2cc(F)cc(F)c2)c1 ZINC000180028401 729670763 /nfs/dbraw/zinc/67/07/63/729670763.db2.gz 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20 10 EFCDMO [O-]c1c(Br)cccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252667241 240308508 /nfs/dbraw/zinc/30/85/08/240308508.db2.gz HKDGIJYNKBDKLU-STQMWFEESA-N 1 1 325.250 2.871 20 10 EFCDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000246427858 240267783 /nfs/dbraw/zinc/26/77/83/240267783.db2.gz WESNORQJALDELC-CRAIPNDOSA-N 1 1 344.503 2.551 20 10 EFCDMO C[C@H]1CCCN(C(=O)C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)C1 ZINC000255830828 240311129 /nfs/dbraw/zinc/31/11/29/240311129.db2.gz DGCBYPQYMGJHLO-FUHWJXTLSA-N 1 1 346.471 2.632 20 10 EFCDMO Oc1ccc(Br)cc1CN[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000263724828 240389345 /nfs/dbraw/zinc/38/93/45/240389345.db2.gz WXMSVDHVYPTOFA-ZIAGYGMSSA-N 1 1 325.250 2.871 20 10 EFCDMO Oc1ccc(Br)cc1CN[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000263724828 240389351 /nfs/dbraw/zinc/38/93/51/240389351.db2.gz WXMSVDHVYPTOFA-ZIAGYGMSSA-N 1 1 325.250 2.871 20 10 EFCDMO Cc1cc(C(=O)N[C@H](C)C[N@@H+](C)C(C)C)c(C)n1-c1ccccn1 ZINC000290941111 241024144 /nfs/dbraw/zinc/02/41/44/241024144.db2.gz OLOAOTFAUQCMBJ-CQSZACIVSA-N 1 1 328.460 2.948 20 10 EFCDMO COCC1(C[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)CCCCC1 ZINC000290964930 241024785 /nfs/dbraw/zinc/02/47/85/241024785.db2.gz RVUJCCZEZGHMKC-UHFFFAOYSA-N 1 1 338.404 2.996 20 10 EFCDMO Cc1cnc(C[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)s1 ZINC000296284584 241080988 /nfs/dbraw/zinc/08/09/88/241080988.db2.gz FJYUQXKSNGRDMB-UHFFFAOYSA-N 1 1 335.448 2.842 20 10 EFCDMO C[C@@H]([NH2+]Cc1nnc(C2CC2)[nH]1)c1ccc(N2CCOCC2)c(F)c1 ZINC000296391562 241085095 /nfs/dbraw/zinc/08/50/95/241085095.db2.gz KCFYVMTWQOZHGB-GFCCVEGCSA-N 1 1 345.422 2.509 20 10 EFCDMO C[C@H]([NH2+][C@@H](C(N)=O)c1ccccn1)c1cc2c(cc1O)CCCC2 ZINC000297397219 241121368 /nfs/dbraw/zinc/12/13/68/241121368.db2.gz SFBKHDVLVHUUBG-KPZWWZAWSA-N 1 1 325.412 2.543 20 10 EFCDMO C[C@H]([NH2+]C1CCC(CS(C)(=O)=O)CC1)c1ccc(F)cc1O ZINC000297167857 241113220 /nfs/dbraw/zinc/11/32/20/241113220.db2.gz DGDLYWUWDMQOMT-DCBWTQNWSA-N 1 1 329.437 2.785 20 10 EFCDMO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)[N@H+]2Cc2ccc(N(C)C)c(C)c2)O1 ZINC000294307826 241041268 /nfs/dbraw/zinc/04/12/68/241041268.db2.gz XHAHCNZEMULSNW-AXUOBQJMSA-N 1 1 346.471 2.744 20 10 EFCDMO C[C@@H]([NH2+][C@@H](C(N)=O)c1ccccn1)c1cc2c(cc1O)CCCC2 ZINC000297397223 241119864 /nfs/dbraw/zinc/11/98/64/241119864.db2.gz SFBKHDVLVHUUBG-KZULUSFZSA-N 1 1 325.412 2.543 20 10 EFCDMO C[C@@H]1Cc2[nH+]cn(CC(=O)NCc3ccc(N(C)C)cc3)c2C[C@@H]1C ZINC000298529715 241152995 /nfs/dbraw/zinc/15/29/95/241152995.db2.gz WIDMTIMDESICOC-CABCVRRESA-N 1 1 340.471 2.636 20 10 EFCDMO CC[N@@H+](CC(=O)NCc1ccc(N(C)C)cc1)[C@@H]1CCOC(C)(C)C1 ZINC000298692776 241155652 /nfs/dbraw/zinc/15/56/52/241155652.db2.gz ZOARWDZQIQIWLR-GOSISDBHSA-N 1 1 347.503 2.648 20 10 EFCDMO Cc1ccccc1C[NH+]1CCN(C(=O)CSc2nccs2)CC1 ZINC000298707876 241156739 /nfs/dbraw/zinc/15/67/39/241156739.db2.gz HJQRREUSWFMJRY-UHFFFAOYSA-N 1 1 347.509 2.888 20 10 EFCDMO Cc1cc(NC(=O)C[N@@H+](Cc2ccc(N(C)C)cc2)C(C)C)n(C)n1 ZINC000298727246 241159188 /nfs/dbraw/zinc/15/91/88/241159188.db2.gz QUWLFTLVAOIWOS-UHFFFAOYSA-N 1 1 343.475 2.644 20 10 EFCDMO Cc1cc(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)c(C)n1-c1ccccn1 ZINC000299022347 241163343 /nfs/dbraw/zinc/16/33/43/241163343.db2.gz MDGRMMZBEIEXAV-ROUUACIJSA-N 1 1 338.455 2.846 20 10 EFCDMO COc1ccnc(N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)n1 ZINC000301209676 241184711 /nfs/dbraw/zinc/18/47/11/241184711.db2.gz SYMXBAWRVMYEBA-CQSZACIVSA-N 1 1 348.834 2.921 20 10 EFCDMO COc1cc2[nH+]c(N(C)Cc3ccccc3O)nc(N)c2cc1OC ZINC000302608279 241195588 /nfs/dbraw/zinc/19/55/88/241195588.db2.gz DNZQIXIZLKSLDV-UHFFFAOYSA-N 1 1 340.383 2.571 20 10 EFCDMO Cc1[nH+]ccn1CC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000297589122 241127088 /nfs/dbraw/zinc/12/70/88/241127088.db2.gz FCQPONAPDKVRSU-UHFFFAOYSA-N 1 1 326.444 2.744 20 10 EFCDMO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H](C)CF)C1 ZINC000360607869 242203533 /nfs/dbraw/zinc/20/35/33/242203533.db2.gz PSNKPOPBIGRTQL-CQSZACIVSA-N 1 1 331.435 2.882 20 10 EFCDMO COC(=O)c1ccc(C[N@H+]2CCCN(c3ccc(OC)cc3)CC2)[nH]1 ZINC000360723651 242209176 /nfs/dbraw/zinc/20/91/76/242209176.db2.gz YVCLXGCZPBUXGW-UHFFFAOYSA-N 1 1 343.427 2.522 20 10 EFCDMO COc1cc(Br)cc(C[N@H+]2CCC[C@@](C)(O)CC2)c1O ZINC000366245982 242347509 /nfs/dbraw/zinc/34/75/09/242347509.db2.gz ITXSUOULBHVUCY-OAHLLOKOSA-N 1 1 344.249 2.900 20 10 EFCDMO COc1cc(Cl)cc(C[N@@H+]2C[C@H](C)O[C@]3(CCCOC3)C2)c1O ZINC000366494678 242355748 /nfs/dbraw/zinc/35/57/48/242355748.db2.gz ZNCGICJWTQVNEZ-YVEFUNNKSA-N 1 1 341.835 2.824 20 10 EFCDMO COc1cc(Cl)cc(C[N@H+]2C[C@H](C)O[C@]3(CCCOC3)C2)c1O ZINC000366494678 242355754 /nfs/dbraw/zinc/35/57/54/242355754.db2.gz ZNCGICJWTQVNEZ-YVEFUNNKSA-N 1 1 341.835 2.824 20 10 EFCDMO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2Cc1c(O)ccc(Cl)c1F ZINC000364715358 242306578 /nfs/dbraw/zinc/30/65/78/242306578.db2.gz DFABYKLSQIJDIK-WPGHFRTFSA-N 1 1 342.842 2.868 20 10 EFCDMO COc1c(O)c(C[NH2+]C[C@H]2OCCc3ccccc32)ccc1[N+](=O)[O-] ZINC000365325971 242323119 /nfs/dbraw/zinc/32/31/19/242323119.db2.gz UPLJQLXLOSAYEI-MRXNPFEDSA-N 1 1 344.367 2.713 20 10 EFCDMO COc1c(O)c(C[NH2+][C@H]2CCc3ccccc3OC2)ccc1[N+](=O)[O-] ZINC000367344002 242378355 /nfs/dbraw/zinc/37/83/55/242378355.db2.gz RTIAUTGEHSASBR-AWEZNQCLSA-N 1 1 344.367 2.792 20 10 EFCDMO COc1cccc(C[N@H+]2CC[C@](CO)(Cc3ccc(F)cc3)C2)c1O ZINC000367684550 242387473 /nfs/dbraw/zinc/38/74/73/242387473.db2.gz IGDVXKORIRVCKX-FQEVSTJZSA-N 1 1 345.414 2.967 20 10 EFCDMO COc1cccc(C[N@H+]2CC[C@@](CO)(Cc3ccc(F)cc3)C2)c1O ZINC000367684552 242388745 /nfs/dbraw/zinc/38/87/45/242388745.db2.gz IGDVXKORIRVCKX-HXUWFJFHSA-N 1 1 345.414 2.967 20 10 EFCDMO OC[C@H]1[C@@H]2C[N@@H+](Cc3ccc(OCc4ccccc4)cc3O)C[C@H]12 ZINC000367842023 242394794 /nfs/dbraw/zinc/39/47/94/242394794.db2.gz WLQVVSAJJUNKIN-BWTSREIZSA-N 1 1 325.408 2.641 20 10 EFCDMO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000298770888 285100663 /nfs/dbraw/zinc/10/06/63/285100663.db2.gz XHXHHONGRMLXLH-MOPGFXCFSA-N 1 1 344.503 2.911 20 10 EFCDMO COCCOC[C@H]1CC[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000177350839 533134690 /nfs/dbraw/zinc/13/46/90/533134690.db2.gz SJVFIXAHNKMVEC-ZDUSSCGKSA-N 1 1 341.835 2.733 20 10 EFCDMO COc1ccc2c(c1)C[N@H+](Cc1cc(OC)c(OC)cc1O)CC2 ZINC000159930708 533261212 /nfs/dbraw/zinc/26/12/12/533261212.db2.gz IMRUWJADRMNSJM-UHFFFAOYSA-N 1 1 329.396 2.976 20 10 EFCDMO COc1cccc(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)n1 ZINC000172536802 533474677 /nfs/dbraw/zinc/47/46/77/533474677.db2.gz ITUUQCIXJKRMKT-QGZVFWFLSA-N 1 1 328.412 2.977 20 10 EFCDMO COc1cc(Cl)cc(C[N@H+]2CCS[C@@H]3COCC[C@@H]32)c1O ZINC000184702024 286223144 /nfs/dbraw/zinc/22/31/44/286223144.db2.gz BIYCNVYVYRWWBE-GXTWGEPZSA-N 1 1 329.849 2.761 20 10 EFCDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000126929131 544627806 /nfs/dbraw/zinc/62/78/06/544627806.db2.gz RKIWLTLROJCYND-LJQANCHMSA-N 1 1 342.487 2.736 20 10 EFCDMO C[C@H]([NH2+]Cc1ccc(N2CCN(C)CC2)nc1)c1cc(F)ccc1O ZINC000184969149 473287880 /nfs/dbraw/zinc/28/78/80/473287880.db2.gz FDGPWYDSMWHFOV-AWEZNQCLSA-N 1 1 344.434 2.529 20 10 EFCDMO COc1cc(O)c(C[NH+]2CCC(C(=O)C(F)(F)F)CC2)cc1OC ZINC000185109012 473330576 /nfs/dbraw/zinc/33/05/76/473330576.db2.gz XIPWVEJPMLSUIU-UHFFFAOYSA-N 1 1 347.333 2.753 20 10 EFCDMO COc1cccc(C(=O)NCC[NH2+][C@H](C)c2ccc(F)cc2O)c1 ZINC000185201205 473361192 /nfs/dbraw/zinc/36/11/92/473361192.db2.gz AHRXBCOUXWSUNW-GFCCVEGCSA-N 1 1 332.375 2.621 20 10 EFCDMO COc1ccc(C[N@H+](C)CC(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000007355841 471608566 /nfs/dbraw/zinc/60/85/66/471608566.db2.gz ZIIBFNWDRYTADK-UHFFFAOYSA-N 1 1 341.455 2.509 20 10 EFCDMO COc1ccc(C[N@@H+](C)CC(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000007355841 471608570 /nfs/dbraw/zinc/60/85/70/471608570.db2.gz ZIIBFNWDRYTADK-UHFFFAOYSA-N 1 1 341.455 2.509 20 10 EFCDMO COc1ccc(N2CC[NH+](C[C@H](O)c3ccccc3F)CC2)cc1 ZINC000075608184 472167093 /nfs/dbraw/zinc/16/70/93/472167093.db2.gz JFRMFHPZXCPPCA-IBGZPJMESA-N 1 1 330.403 2.690 20 10 EFCDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000085400857 472243058 /nfs/dbraw/zinc/24/30/58/472243058.db2.gz WESNORQJALDELC-YJBOKZPZSA-N 1 1 344.503 2.551 20 10 EFCDMO CCC[N@@H+](Cc1ccccc1O)[C@@H]1CCCN(c2cnn(C)c2)C1=O ZINC000076074151 472261774 /nfs/dbraw/zinc/26/17/74/472261774.db2.gz KGQWHNJAXABYID-QGZVFWFLSA-N 1 1 342.443 2.533 20 10 EFCDMO COC(=O)c1occc1C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000069421276 472339983 /nfs/dbraw/zinc/33/99/83/472339983.db2.gz KVYJELZNHIOJRM-UHFFFAOYSA-N 1 1 344.411 2.535 20 10 EFCDMO COC(=O)c1occc1C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000069421276 472339991 /nfs/dbraw/zinc/33/99/91/472339991.db2.gz KVYJELZNHIOJRM-UHFFFAOYSA-N 1 1 344.411 2.535 20 10 EFCDMO C[N@H+](Cc1ccc(N2CCOCC2)cc1)C[C@H](O)c1cccc(F)c1 ZINC000069518825 472361953 /nfs/dbraw/zinc/36/19/53/472361953.db2.gz MOQYVRCDXCRTDK-FQEVSTJZSA-N 1 1 344.430 2.828 20 10 EFCDMO C[N@H+](Cc1ccc(N2CCOCC2)cc1)C[C@@H](O)c1ccccc1F ZINC000076549229 472365862 /nfs/dbraw/zinc/36/58/62/472365862.db2.gz LQRAHAQTIRYEIG-HXUWFJFHSA-N 1 1 344.430 2.828 20 10 EFCDMO C[N@@H+](Cc1ccccc1O)[C@@H]1CCN(c2c(F)cccc2F)C1=O ZINC000088511007 472369111 /nfs/dbraw/zinc/36/91/11/472369111.db2.gz DBWYHZSAHFRXGF-OAHLLOKOSA-N 1 1 332.350 2.908 20 10 EFCDMO C[C@H]1CCCN(C(=O)C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)C1 ZINC000096970980 472402909 /nfs/dbraw/zinc/40/29/09/472402909.db2.gz DGCBYPQYMGJHLO-WMZOPIPTSA-N 1 1 346.471 2.632 20 10 EFCDMO CCC[N@H+]1CC[C@H](CNC(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000069784613 472432563 /nfs/dbraw/zinc/43/25/63/472432563.db2.gz UNXCGLOFWVJSGG-QGZVFWFLSA-N 1 1 344.503 2.600 20 10 EFCDMO CN(C)c1ccc(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)cc1F ZINC000057559662 472450615 /nfs/dbraw/zinc/45/06/15/472450615.db2.gz JITSCFWXRGGLNX-SFHVURJKSA-N 1 1 329.419 2.811 20 10 EFCDMO C[C@H](CN1CCN(C)CC1)[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000154885519 472483586 /nfs/dbraw/zinc/48/35/86/472483586.db2.gz PSRXLAYUXQADLY-RTBURBONSA-N 1 1 344.547 2.963 20 10 EFCDMO COc1cccc(C[N@H+]2CCC[C@H](NC(=O)OC(C)(C)C)C2)c1O ZINC000154900063 472484236 /nfs/dbraw/zinc/48/42/36/472484236.db2.gz HZKWWHSZDZCXDE-AWEZNQCLSA-N 1 1 336.432 2.890 20 10 EFCDMO C[C@@H]1[C@H](C)SCC[N@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000118533862 472497547 /nfs/dbraw/zinc/49/75/47/472497547.db2.gz RUVCCAXCIAVGAT-CABCVRRESA-N 1 1 335.517 2.537 20 10 EFCDMO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H](Cc3nccn3C)C2)c1O ZINC000090003494 472579366 /nfs/dbraw/zinc/57/93/66/472579366.db2.gz ZHXLMYMVHSHJNH-AWEZNQCLSA-N 1 1 345.418 2.922 20 10 EFCDMO CN(C)c1ccc(C[N@H+]2CCC[C@H](c3nnc4n3CCC4)C2)cc1F ZINC000119836455 472588944 /nfs/dbraw/zinc/58/89/44/472588944.db2.gz ANOBHWWUYFVNHB-HNNXBMFYSA-N 1 1 343.450 2.809 20 10 EFCDMO C[C@H](CN[C@H](C)c1ccc(N2CCOCC2)c(F)c1)[N@H+](C)C1CC1 ZINC000131146033 472652090 /nfs/dbraw/zinc/65/20/90/472652090.db2.gz MLYVKAKRHMZYES-HUUCEWRRSA-N 1 1 335.467 2.796 20 10 EFCDMO C[C@H](CN[C@H](C)c1ccc(N2CCOCC2)c(F)c1)[N@@H+](C)C1CC1 ZINC000131146033 472652092 /nfs/dbraw/zinc/65/20/92/472652092.db2.gz MLYVKAKRHMZYES-HUUCEWRRSA-N 1 1 335.467 2.796 20 10 EFCDMO CC(C)[C@H](C[NH2+][C@@H](C)c1ccc(N(C)C)cc1)N1CCN(C)CC1 ZINC000132371179 472730068 /nfs/dbraw/zinc/73/00/68/472730068.db2.gz JYEZUULOSHHJKG-PXNSSMCTSA-N 1 1 332.536 2.675 20 10 EFCDMO Cc1cc(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)c(C)n1-c1ccccn1 ZINC000105319011 472744500 /nfs/dbraw/zinc/74/45/00/472744500.db2.gz JBTMBMYGNJQRQS-MRXNPFEDSA-N 1 1 338.455 2.703 20 10 EFCDMO CC[C@@H]([NH2+]C[C@H](C)CN1CCN(C)CC1)c1ccc(N(C)C)cc1 ZINC000120929598 472769993 /nfs/dbraw/zinc/76/99/93/472769993.db2.gz SUYINZUWFRNHRP-FXAWDEMLSA-N 1 1 332.536 2.677 20 10 EFCDMO Cc1cc(O)c(C[NH+]2CCN(C(=O)c3ccc(O)cc3)CC2)cc1C ZINC000091811051 472810986 /nfs/dbraw/zinc/81/09/86/472810986.db2.gz CYFKYMJKIQVIHY-UHFFFAOYSA-N 1 1 340.423 2.673 20 10 EFCDMO Cc1noc([C@@H]2CCC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C2)n1 ZINC000091832624 472813012 /nfs/dbraw/zinc/81/30/12/472813012.db2.gz XXLDYASKMYPRQV-QGZVFWFLSA-N 1 1 342.443 2.594 20 10 EFCDMO CCOc1ccc(O)c(C[NH+]2CCN(Cc3c(C)noc3C)CC2)c1 ZINC000091891158 472822246 /nfs/dbraw/zinc/82/22/46/472822246.db2.gz JDEBGIIZGIOSMJ-UHFFFAOYSA-N 1 1 345.443 2.714 20 10 EFCDMO COCc1ccc(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)o1 ZINC000121293329 472830305 /nfs/dbraw/zinc/83/03/05/472830305.db2.gz VRAJRGSTONFYHC-UHFFFAOYSA-N 1 1 330.428 2.895 20 10 EFCDMO CCC[C@H](C(=O)OCC)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000133695268 472832235 /nfs/dbraw/zinc/83/22/35/472832235.db2.gz ODQDZHUIBPOIHS-GOSISDBHSA-N 1 1 334.460 2.687 20 10 EFCDMO CCC[C@H](C(=O)OCC)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000133695268 472832245 /nfs/dbraw/zinc/83/22/45/472832245.db2.gz ODQDZHUIBPOIHS-GOSISDBHSA-N 1 1 334.460 2.687 20 10 EFCDMO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cc1cccc2c1OCO2 ZINC000121300635 472832435 /nfs/dbraw/zinc/83/24/35/472832435.db2.gz CDRGLPULIJKIDD-UHFFFAOYSA-N 1 1 340.423 2.884 20 10 EFCDMO COc1cccc(CNC(=O)NCCCC[N@H+]2CCC[C@H](C)C2)c1O ZINC000073677286 472851578 /nfs/dbraw/zinc/85/15/78/472851578.db2.gz OXQYBUPOYYJVSJ-HNNXBMFYSA-N 1 1 349.475 2.712 20 10 EFCDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000134084575 472873335 /nfs/dbraw/zinc/87/33/35/472873335.db2.gz DBRBCGVEYBKQDS-GOSISDBHSA-N 1 1 346.519 2.872 20 10 EFCDMO CCN(CC)c1ccc(CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000073778691 472873926 /nfs/dbraw/zinc/87/39/26/472873926.db2.gz DHZMGTOYHLKTQL-MJGOQNOKSA-N 1 1 344.503 2.911 20 10 EFCDMO Cc1cc(C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)on1 ZINC000134258398 472890606 /nfs/dbraw/zinc/89/06/06/472890606.db2.gz LJMHIPOYJNONEM-AWEZNQCLSA-N 1 1 349.818 2.736 20 10 EFCDMO Cc1cc(C(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)on1 ZINC000134258398 472890610 /nfs/dbraw/zinc/89/06/10/472890610.db2.gz LJMHIPOYJNONEM-AWEZNQCLSA-N 1 1 349.818 2.736 20 10 EFCDMO CCOc1cccc(C[N@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)c1O ZINC000092455350 472916231 /nfs/dbraw/zinc/91/62/31/472916231.db2.gz GZXXVEOGBJPVEI-AWEZNQCLSA-N 1 1 336.432 2.890 20 10 EFCDMO C[C@@H](CNC(=O)NCc1c(O)ccc2c1CCCC2)[N@@H+](C)C1CC1 ZINC000074100709 472941601 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CCOc1ccc(O)c(C[N@H+]2CCC[C@H](c3nnc4n3CCC4)C2)c1 ZINC000093134427 473048495 /nfs/dbraw/zinc/04/84/95/473048495.db2.gz YRFGLPLMWNEILK-AWEZNQCLSA-N 1 1 342.443 2.708 20 10 EFCDMO CC[C@H](C)[N@@H+](C)CCNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000066179909 473056208 /nfs/dbraw/zinc/05/62/08/473056208.db2.gz AGXQCEXIAYYGIG-INIZCTEOSA-N 1 1 332.492 2.816 20 10 EFCDMO C[N@H+](Cc1ccc(N2CCOCC2)cc1)C[C@@H](O)c1ccc(F)cc1 ZINC000066350631 473078956 /nfs/dbraw/zinc/07/89/56/473078956.db2.gz OYLUYOTUFNQXBP-HXUWFJFHSA-N 1 1 344.430 2.828 20 10 EFCDMO COc1ccc(N2CCC[N@@H+](CC(=O)N3CCCC[C@H]3C)CC2)cc1 ZINC000052466188 473110502 /nfs/dbraw/zinc/11/05/02/473110502.db2.gz YLZMNWICSZIGQZ-QGZVFWFLSA-N 1 1 345.487 2.608 20 10 EFCDMO CCc1noc([C@H](C)[N@@H+]2CCCN(c3ccc(OC)cc3)CC2)n1 ZINC000052466840 473110848 /nfs/dbraw/zinc/11/08/48/473110848.db2.gz YXFCAJZWNKQJQP-AWEZNQCLSA-N 1 1 330.432 2.914 20 10 EFCDMO CCc1noc([C@H](C)[N@H+]2CCCN(c3ccc(OC)cc3)CC2)n1 ZINC000052466840 473110852 /nfs/dbraw/zinc/11/08/52/473110852.db2.gz YXFCAJZWNKQJQP-AWEZNQCLSA-N 1 1 330.432 2.914 20 10 EFCDMO NC(=O)c1ccc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)cc1 ZINC000109761907 473120258 /nfs/dbraw/zinc/12/02/58/473120258.db2.gz GKBLMTGUCYYVGL-SFHVURJKSA-N 1 1 340.423 2.672 20 10 EFCDMO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccccc2O)cc1OC ZINC000109773006 473121069 /nfs/dbraw/zinc/12/10/69/473121069.db2.gz VAMJEMKRWCVTGA-ZDUSSCGKSA-N 1 1 344.411 2.868 20 10 EFCDMO CCOc1cccc(C[N@@H+](C)CC(C)(C)CN2CCOCC2)c1O ZINC000093769613 473142998 /nfs/dbraw/zinc/14/29/98/473142998.db2.gz BIIKKPAVOOLTPZ-UHFFFAOYSA-N 1 1 336.476 2.581 20 10 EFCDMO COC(=O)[C@@]1(C)CC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000093813397 473146162 /nfs/dbraw/zinc/14/61/62/473146162.db2.gz TUQXJSWUEPATBD-AWEZNQCLSA-N 1 1 328.206 2.540 20 10 EFCDMO Cc1nn(C)c(C)c1C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000111233026 473197970 /nfs/dbraw/zinc/19/79/70/473197970.db2.gz VPZXCNJLNKVCGB-QGZVFWFLSA-N 1 1 329.444 2.924 20 10 EFCDMO CCOc1ccc(OC[C@@H](O)C[N@@H+](C)Cc2ccccc2O)cc1 ZINC000111236021 473198402 /nfs/dbraw/zinc/19/84/02/473198402.db2.gz UUKIDLKHICFNQS-INIZCTEOSA-N 1 1 331.412 2.663 20 10 EFCDMO C[N@@H+](CC(=O)N1CCc2[nH]c3ccccc3c2C1)Cc1ccccc1O ZINC000111235629 473198578 /nfs/dbraw/zinc/19/85/78/473198578.db2.gz XPBKFYDNICGVOZ-UHFFFAOYSA-N 1 1 349.434 2.890 20 10 EFCDMO Cc1cc(C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)c(C)n1-c1ccccn1 ZINC000151103349 473408877 /nfs/dbraw/zinc/40/88/77/473408877.db2.gz KKAQWPPRHRKQIM-MRXNPFEDSA-N 1 1 326.444 2.655 20 10 EFCDMO Cc1cc(C(=O)N(C)[C@H]2CCC[N@@H+](C)C2)c(C)n1-c1ccccn1 ZINC000151103395 473409439 /nfs/dbraw/zinc/40/94/39/473409439.db2.gz KKAQWPPRHRKQIM-INIZCTEOSA-N 1 1 326.444 2.655 20 10 EFCDMO COc1cccc(C[N@H+](C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c1O ZINC000125920673 473471807 /nfs/dbraw/zinc/47/18/07/473471807.db2.gz SIFOWHCJZGOZGD-ZDUSSCGKSA-N 1 1 349.452 2.997 20 10 EFCDMO COc1cccc(C[N@@H+](C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c1O ZINC000125920673 473471811 /nfs/dbraw/zinc/47/18/11/473471811.db2.gz SIFOWHCJZGOZGD-ZDUSSCGKSA-N 1 1 349.452 2.997 20 10 EFCDMO COc1cccc(CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)c1O ZINC000178190336 473473913 /nfs/dbraw/zinc/47/39/13/473473913.db2.gz FGGVBAJERJVPLD-HNNXBMFYSA-N 1 1 332.444 2.672 20 10 EFCDMO CCN(CC)c1ccc(CNC(=O)c2csc(C[NH3+])n2)cc1F ZINC000178768459 473557883 /nfs/dbraw/zinc/55/78/83/473557883.db2.gz LAXXRKZZSBCZPG-UHFFFAOYSA-N 1 1 336.436 2.517 20 10 EFCDMO C[C@H](C[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1)N1CCN(C)CC1 ZINC000127308085 473598357 /nfs/dbraw/zinc/59/83/57/473598357.db2.gz SZJRDBMGJNQJHA-RTBURBONSA-N 1 1 344.547 2.963 20 10 EFCDMO C[C@@H]([NH2+][C@H]1CCCN(CC(F)(F)F)C1=O)c1ccc(F)cc1O ZINC000186144250 473599770 /nfs/dbraw/zinc/59/97/70/473599770.db2.gz JXOPQAHEZNLPEZ-SKDRFNHKSA-N 1 1 334.313 2.735 20 10 EFCDMO CCOC(=O)c1nn(C)cc1C[N@H+](CC)Cc1ccc(N(C)C)cc1 ZINC000186153895 473601621 /nfs/dbraw/zinc/60/16/21/473601621.db2.gz UIEVOYKJTKKKHG-UHFFFAOYSA-N 1 1 344.459 2.685 20 10 EFCDMO CCOC(=O)c1nn(C)cc1C[N@@H+](CC)Cc1ccc(N(C)C)cc1 ZINC000186153895 473601627 /nfs/dbraw/zinc/60/16/27/473601627.db2.gz UIEVOYKJTKKKHG-UHFFFAOYSA-N 1 1 344.459 2.685 20 10 EFCDMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000115813653 473606191 /nfs/dbraw/zinc/60/61/91/473606191.db2.gz SYEFLQUYGMFXDJ-KRWDZBQOSA-N 1 1 344.503 2.552 20 10 EFCDMO COCCN(CCCn1cc[nH+]c1C)c1ccc(OC)c(OC)c1 ZINC000127442083 473613468 /nfs/dbraw/zinc/61/34/68/473613468.db2.gz ZAMNKCSBRXSZGG-UHFFFAOYSA-N 1 1 333.432 2.752 20 10 EFCDMO O=C(c1ccccc1F)N1CCC[N@H+](Cc2ccccc2O)CC1 ZINC000179556461 473694579 /nfs/dbraw/zinc/69/45/79/473694579.db2.gz WWBXKZMKGLJJHL-UHFFFAOYSA-N 1 1 328.387 2.879 20 10 EFCDMO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3O)C2)nc1 ZINC000179559353 473695275 /nfs/dbraw/zinc/69/52/75/473695275.db2.gz AJOINSKTDNWNOD-MRXNPFEDSA-N 1 1 325.412 2.946 20 10 EFCDMO CC[N@@H+](CC(=O)Nc1cccc(OC)c1)Cc1cccc(OC)c1O ZINC000179603411 473698649 /nfs/dbraw/zinc/69/86/49/473698649.db2.gz SOCRLSXZMIJPGF-UHFFFAOYSA-N 1 1 344.411 2.870 20 10 EFCDMO CCOc1cccc(C[N@@H+](C)Cc2ccc(C(=O)NC)cc2)c1O ZINC000179757678 473719649 /nfs/dbraw/zinc/71/96/49/473719649.db2.gz JNMXGFKIWDVDSQ-UHFFFAOYSA-N 1 1 328.412 2.783 20 10 EFCDMO COc1ccc(O)c(C[N@@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)c1 ZINC000193336456 473781589 /nfs/dbraw/zinc/78/15/89/473781589.db2.gz JGYVHOPOMWPFIF-GASCZTMLSA-N 1 1 348.443 2.700 20 10 EFCDMO C[C@@H]1C[C@@H](NC(=O)c2cccc(O)c2O)CC[N@H+]1Cc1ccccc1 ZINC000187171171 473830697 /nfs/dbraw/zinc/83/06/97/473830697.db2.gz JYCLSZKVYNFZMK-ZBFHGGJFSA-N 1 1 340.423 2.881 20 10 EFCDMO CN(C)c1ccc(C[N@H+](CC(=O)Nc2nccs2)C2CC2)cc1 ZINC000269549335 473830853 /nfs/dbraw/zinc/83/08/53/473830853.db2.gz XZWKFIFTHIJNMS-UHFFFAOYSA-N 1 1 330.457 2.812 20 10 EFCDMO CN(C)c1ccc(C[N@@H+](CC(=O)Nc2nccs2)C2CC2)cc1 ZINC000269549335 473830862 /nfs/dbraw/zinc/83/08/62/473830862.db2.gz XZWKFIFTHIJNMS-UHFFFAOYSA-N 1 1 330.457 2.812 20 10 EFCDMO COc1ccc(C[N@@H+](CCO)Cc2cccc(C)c2O)c(OC)c1 ZINC000180227564 473833732 /nfs/dbraw/zinc/83/37/32/473833732.db2.gz WXUYLTNNYRCQPV-UHFFFAOYSA-N 1 1 331.412 2.712 20 10 EFCDMO COC(=O)COc1ccc(C[N@@H+](C)Cc2cccc(C)c2O)cc1 ZINC000187436375 473872431 /nfs/dbraw/zinc/87/24/31/473872431.db2.gz CWZBFYVOLHXLAC-UHFFFAOYSA-N 1 1 329.396 2.884 20 10 EFCDMO COC(=O)COc1ccc(C[N@@H+](C)Cc2cc(C)ccc2O)cc1 ZINC000187433269 473872547 /nfs/dbraw/zinc/87/25/47/473872547.db2.gz INENWANNLNBLLP-UHFFFAOYSA-N 1 1 329.396 2.884 20 10 EFCDMO COc1cc(NC(=O)C[N@H+](C)Cc2cccc(C)c2O)cc(OC)c1 ZINC000180693261 473943478 /nfs/dbraw/zinc/94/34/78/473943478.db2.gz PBXQMDLBGOGYFG-UHFFFAOYSA-N 1 1 344.411 2.788 20 10 EFCDMO COc1cc(NC(=O)C[N@@H+](C)Cc2cccc(C)c2O)cc(OC)c1 ZINC000180693261 473943485 /nfs/dbraw/zinc/94/34/85/473943485.db2.gz PBXQMDLBGOGYFG-UHFFFAOYSA-N 1 1 344.411 2.788 20 10 EFCDMO COc1ccc(O)c(C[N@@H+]2CCOC[C@@H]2C[C@H](O)c2ccccc2)c1 ZINC000180743030 473954209 /nfs/dbraw/zinc/95/42/09/473954209.db2.gz YEKAOKOLNSZGTH-PXNSSMCTSA-N 1 1 343.423 2.725 20 10 EFCDMO COc1ccc(O)c(C[N@H+]2CCOC[C@@H]2C[C@H](O)c2ccccc2)c1 ZINC000180743030 473954214 /nfs/dbraw/zinc/95/42/14/473954214.db2.gz YEKAOKOLNSZGTH-PXNSSMCTSA-N 1 1 343.423 2.725 20 10 EFCDMO COc1cc(O)c(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)cc1OC ZINC000282192188 473976757 /nfs/dbraw/zinc/97/67/57/473976757.db2.gz KUIPRHSHBUYPKE-UHFFFAOYSA-N 1 1 346.383 2.992 20 10 EFCDMO COC(=O)[C@H]1CC[N@@H+](Cc2cc(Br)ccc2O)C[C@H]1C ZINC000188101732 473982248 /nfs/dbraw/zinc/98/22/48/473982248.db2.gz QZVDKVPBLKGEJB-MFKMUULPSA-N 1 1 342.233 2.786 20 10 EFCDMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180933806 473987841 /nfs/dbraw/zinc/98/78/41/473987841.db2.gz PDLGWBYQIBCOSM-HQPKTYMTSA-N 1 1 332.444 2.882 20 10 EFCDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000181236033 474018292 /nfs/dbraw/zinc/01/82/92/474018292.db2.gz OAUFMOGLCGYUEV-BVBGJJFLSA-N 1 1 332.444 2.595 20 10 EFCDMO COC(=O)c1ccoc1C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000264604556 474056640 /nfs/dbraw/zinc/05/66/40/474056640.db2.gz LDPFLXSMMLYYJF-OAHLLOKOSA-N 1 1 345.395 2.953 20 10 EFCDMO COC(=O)c1ccoc1C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000264604556 474056647 /nfs/dbraw/zinc/05/66/47/474056647.db2.gz LDPFLXSMMLYYJF-OAHLLOKOSA-N 1 1 345.395 2.953 20 10 EFCDMO CCN(CC)c1ccc(CNC(=O)CCCC[NH+]2CCOCC2)cc1 ZINC000264717038 474101478 /nfs/dbraw/zinc/10/14/78/474101478.db2.gz XEOFOXQYLKLNRC-UHFFFAOYSA-N 1 1 347.503 2.652 20 10 EFCDMO CCCC[N@H+](Cc1ccccc1O)CC1CCS(=O)(=O)CC1 ZINC000282574195 474115241 /nfs/dbraw/zinc/11/52/41/474115241.db2.gz ZXSUVERERYSEOG-UHFFFAOYSA-N 1 1 325.474 2.819 20 10 EFCDMO CCOCCCN1CC[C@H]([NH2+]Cc2ccc(N(C)C)cc2)[C@@H](C)C1 ZINC000265182847 474168813 /nfs/dbraw/zinc/16/88/13/474168813.db2.gz MBACJSZXEYGOCQ-PXNSSMCTSA-N 1 1 333.520 2.979 20 10 EFCDMO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)[C@@H]1Cc2ccccc2[C@@H]1O ZINC000182668276 474230346 /nfs/dbraw/zinc/23/03/46/474230346.db2.gz NODKIMOLGJRZLZ-RTWAWAEBSA-N 1 1 338.451 2.613 20 10 EFCDMO [O-]c1ccc(Br)cc1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000227437242 474246515 /nfs/dbraw/zinc/24/65/15/474246515.db2.gz GFUJDVMTBJUZKB-LLVKDONJSA-N 1 1 325.250 2.729 20 10 EFCDMO [O-]c1ccc(Br)cc1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000227437242 474246520 /nfs/dbraw/zinc/24/65/20/474246520.db2.gz GFUJDVMTBJUZKB-LLVKDONJSA-N 1 1 325.250 2.729 20 10 EFCDMO CCC[N@H+]1CC[C@@H](CNC(=O)NCc2c(O)ccc3c2CCCC3)C1 ZINC000175557316 474249720 /nfs/dbraw/zinc/24/97/20/474249720.db2.gz LCQYRZFNSNPARR-HNNXBMFYSA-N 1 1 345.487 2.802 20 10 EFCDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)Cc1ccc(N)cc1 ZINC000236655252 474277978 /nfs/dbraw/zinc/27/79/78/474277978.db2.gz FDSAIRZKCDMJCP-UHFFFAOYSA-N 1 1 325.456 2.968 20 10 EFCDMO Cc1ccc(C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c(O)c1O ZINC000182911631 474285571 /nfs/dbraw/zinc/28/55/71/474285571.db2.gz IGSSNMRWMGROFV-UONOGXRCSA-N 1 1 332.444 2.789 20 10 EFCDMO Cc1ccc(C(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c(O)c1O ZINC000182911667 474285997 /nfs/dbraw/zinc/28/59/97/474285997.db2.gz IGSSNMRWMGROFV-KBPBESRZSA-N 1 1 332.444 2.789 20 10 EFCDMO COC(=O)COc1ccc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)cc1 ZINC000182919328 474287451 /nfs/dbraw/zinc/28/74/51/474287451.db2.gz CYNKTPMJGWRTSE-UHFFFAOYSA-N 1 1 342.439 2.936 20 10 EFCDMO CCOc1cccc(C[N@H+]2CCCC[C@H]2COC(=O)N(C)C)c1O ZINC000289774700 474420325 /nfs/dbraw/zinc/42/03/25/474420325.db2.gz RKQZRQSHNNKGJV-HNNXBMFYSA-N 1 1 336.432 2.844 20 10 EFCDMO CCOc1cccc(C[N@H+]2CC[C@@](C(=O)OC)(C(F)(F)F)C2)c1O ZINC000289774849 474420734 /nfs/dbraw/zinc/42/07/34/474420734.db2.gz RLMGHKZQJIRYAW-OAHLLOKOSA-N 1 1 347.333 2.718 20 10 EFCDMO CCOc1cccc(C[N@H+]2CCCC[C@@H]2COC(=O)N(C)C)c1O ZINC000289774705 474421267 /nfs/dbraw/zinc/42/12/67/474421267.db2.gz RKQZRQSHNNKGJV-OAHLLOKOSA-N 1 1 336.432 2.844 20 10 EFCDMO Cc1[nH+]ccn1CCCNC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000266539796 474435860 /nfs/dbraw/zinc/43/58/60/474435860.db2.gz LWAXPHVEPXFACD-UHFFFAOYSA-N 1 1 342.443 2.665 20 10 EFCDMO CNC(=O)CC[C@@H]1CCCC[N@H+]1Cc1cc(Cl)cc(OC)c1O ZINC000289854937 474457397 /nfs/dbraw/zinc/45/73/97/474457397.db2.gz VDKZMFQDUJTFRK-AWEZNQCLSA-N 1 1 340.851 2.935 20 10 EFCDMO CN(C)c1ccc(C[N@H+]2CCC[C@H]([C@@H](O)c3nccn3C)C2)cc1F ZINC000271276146 474471141 /nfs/dbraw/zinc/47/11/41/474471141.db2.gz KZGNQEGQZIGJSU-MAUKXSAKSA-N 1 1 346.450 2.571 20 10 EFCDMO COc1cc(O)c(CN[C@@H](C[NH+](C)C)c2ccc(F)cc2)cc1OC ZINC000290291849 474565574 /nfs/dbraw/zinc/56/55/74/474565574.db2.gz AMFHNWXWLIHGNL-INIZCTEOSA-N 1 1 348.418 2.941 20 10 EFCDMO COc1cc(O)c(CN[C@H](C[NH+](C)C)c2ccc(F)cc2)cc1OC ZINC000290291853 474565831 /nfs/dbraw/zinc/56/58/31/474565831.db2.gz AMFHNWXWLIHGNL-MRXNPFEDSA-N 1 1 348.418 2.941 20 10 EFCDMO Oc1ccccc1C[N@H+](Cc1c[nH]c2nccnc12)C[C@H]1CCCO1 ZINC000290321616 474566174 /nfs/dbraw/zinc/56/61/74/474566174.db2.gz BSOZCUWNHASPNQ-MRXNPFEDSA-N 1 1 338.411 2.845 20 10 EFCDMO COc1c(O)c(C[NH2+][C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)ccc1[N+](=O)[O-] ZINC000290350355 474567679 /nfs/dbraw/zinc/56/76/79/474567679.db2.gz GABJLCFMUUTHJV-VNQPRFMTSA-N 1 1 326.352 2.737 20 10 EFCDMO O=C(c1c(F)ccc(O)c1O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000276778918 474570756 /nfs/dbraw/zinc/57/07/56/474570756.db2.gz ZDVYENQHYZLJOG-UHFFFAOYSA-N 1 1 344.386 2.585 20 10 EFCDMO CN(C)c1ccc(C[N@@H+](CCn2cc([N+](=O)[O-])cn2)C2CC2)cc1 ZINC000267034535 474571423 /nfs/dbraw/zinc/57/14/23/474571423.db2.gz NLUJKIWTHVJKTK-UHFFFAOYSA-N 1 1 329.404 2.522 20 10 EFCDMO C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000290563545 474577562 /nfs/dbraw/zinc/57/75/62/474577562.db2.gz SLYMRRFAMWQAKP-ZWNOBZJWSA-N 1 1 327.812 2.726 20 10 EFCDMO C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000290563545 474577569 /nfs/dbraw/zinc/57/75/69/474577569.db2.gz SLYMRRFAMWQAKP-ZWNOBZJWSA-N 1 1 327.812 2.726 20 10 EFCDMO C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000290563545 474577575 /nfs/dbraw/zinc/57/75/75/474577575.db2.gz SLYMRRFAMWQAKP-ZWNOBZJWSA-N 1 1 327.812 2.726 20 10 EFCDMO C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000290563545 474577577 /nfs/dbraw/zinc/57/75/77/474577577.db2.gz SLYMRRFAMWQAKP-ZWNOBZJWSA-N 1 1 327.812 2.726 20 10 EFCDMO COc1cc(Cl)cc(C[N@@H+]2CCCN(C(=O)C(C)C)CC2)c1O ZINC000184682563 474583263 /nfs/dbraw/zinc/58/32/63/474583263.db2.gz FILDMRXJHGBROC-UHFFFAOYSA-N 1 1 340.851 2.745 20 10 EFCDMO COc1cc(Cl)cc(C[N@H+]2CCCN(C(=O)C(C)C)CC2)c1O ZINC000184682563 474583268 /nfs/dbraw/zinc/58/32/68/474583268.db2.gz FILDMRXJHGBROC-UHFFFAOYSA-N 1 1 340.851 2.745 20 10 EFCDMO COc1ccc(O)c(C[NH+]2CCN(CCc3cccs3)CC2)c1 ZINC000271751150 474588589 /nfs/dbraw/zinc/58/85/89/474588589.db2.gz VLXCXXRHRINASK-UHFFFAOYSA-N 1 1 332.469 2.823 20 10 EFCDMO COc1cc(O)c(C[N@@H+](C)[C@@H](CCO)c2ccccc2)cc1OC ZINC000271795272 474591432 /nfs/dbraw/zinc/59/14/32/474591432.db2.gz JVSYUZCODNFOIE-INIZCTEOSA-N 1 1 331.412 2.965 20 10 EFCDMO COc1cc(O)c(C[N@@H+](C)Cc2ccc3c(c2)OCO3)cc1OC ZINC000271799023 474593493 /nfs/dbraw/zinc/59/34/93/474593493.db2.gz KVDPNACJFYWNHH-UHFFFAOYSA-N 1 1 331.368 2.770 20 10 EFCDMO COc1c([O-])c(C[N@H+]2CCS[C@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000278219071 474604180 /nfs/dbraw/zinc/60/41/80/474604180.db2.gz LIMWWOANMPKVDT-ZDUSSCGKSA-N 1 1 326.418 2.882 20 10 EFCDMO COc1c(O)c(C[N@H+]2CCS[C@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000278219071 474604187 /nfs/dbraw/zinc/60/41/87/474604187.db2.gz LIMWWOANMPKVDT-ZDUSSCGKSA-N 1 1 326.418 2.882 20 10 EFCDMO COc1cc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2O)ccc1O ZINC000278270155 474605616 /nfs/dbraw/zinc/60/56/16/474605616.db2.gz ROGWANCIHPRWEB-UHFFFAOYSA-N 1 1 348.355 2.655 20 10 EFCDMO Oc1cc2c(cc1C[N@H+]1CCC[C@H](Oc3ncccc3F)C1)OCO2 ZINC000278285862 474605787 /nfs/dbraw/zinc/60/57/87/474605787.db2.gz QTXQQBMDDHYPFM-ZDUSSCGKSA-N 1 1 346.358 2.698 20 10 EFCDMO Cc1cc(C)c([C@@H](C)[NH2+]C[C@H](C(C)C)N2CCN(C)CC2)c(O)c1 ZINC000284279397 474608984 /nfs/dbraw/zinc/60/89/84/474608984.db2.gz XHNXNCSDKMMCCQ-QZTJIDSGSA-N 1 1 333.520 2.932 20 10 EFCDMO Cc1cc(C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)c(C)n1-c1ccccn1 ZINC000272481242 474613743 /nfs/dbraw/zinc/61/37/43/474613743.db2.gz MCWFSSSIKCBSJX-AEFFLSMTSA-N 1 1 338.455 2.655 20 10 EFCDMO C[N@H+]1CC[C@@H]2CCN(Cc3cc(Br)ccc3O)[C@H]2C1 ZINC000272551521 474617258 /nfs/dbraw/zinc/61/72/58/474617258.db2.gz DAAGQNIRDMXMCT-RISCZKNCSA-N 1 1 325.250 2.681 20 10 EFCDMO COc1c(O)c(C[N@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000291560954 474619911 /nfs/dbraw/zinc/61/99/11/474619911.db2.gz NBCMQXAYGWMUBN-XJKSGUPXSA-N 1 1 336.388 2.698 20 10 EFCDMO C[C@H](NC(=O)NCc1ccccc1O)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000272721620 474624801 /nfs/dbraw/zinc/62/48/01/474624801.db2.gz JDDDUHVZKXEDST-GOEBONIOSA-N 1 1 331.460 2.844 20 10 EFCDMO COc1c(O)c(C[N@H+]2CCC[C@@]2(CO)CC(C)C)ccc1[N+](=O)[O-] ZINC000278390226 474630909 /nfs/dbraw/zinc/63/09/09/474630909.db2.gz MVNUHEFIMMPPBQ-KRWDZBQOSA-N 1 1 338.404 2.682 20 10 EFCDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)c1 ZINC000278424413 474641048 /nfs/dbraw/zinc/64/10/48/474641048.db2.gz SAVZKVDFRJIECH-ABAIWWIYSA-N 1 1 333.350 2.926 20 10 EFCDMO COc1c(O)c(C[NH2+]C[C@H](C)c2nc(C)cs2)ccc1[N+](=O)[O-] ZINC000278500471 474663484 /nfs/dbraw/zinc/66/34/84/474663484.db2.gz NRXPQIRWDAHPLR-VIFPVBQESA-N 1 1 337.401 2.967 20 10 EFCDMO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)C12CCC2 ZINC000278524540 474680462 /nfs/dbraw/zinc/68/04/62/474680462.db2.gz SWGPXIITPYNHCU-KGLIPLIRSA-N 1 1 336.388 2.746 20 10 EFCDMO CCOCCC1(C[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)CCC1 ZINC000278531934 474686079 /nfs/dbraw/zinc/68/60/79/474686079.db2.gz VIGHGKCFOVFJKB-UHFFFAOYSA-N 1 1 338.404 2.996 20 10 EFCDMO COc1c(O)c(C[NH2+]C[C@@H](C)N2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000278558261 474700314 /nfs/dbraw/zinc/70/03/14/474700314.db2.gz BAJSXUQYCXUOIC-CHWSQXEVSA-N 1 1 337.420 2.519 20 10 EFCDMO CCn1cc(CC[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)cn1 ZINC000278578751 474716593 /nfs/dbraw/zinc/71/65/93/474716593.db2.gz JXTXSFICGDDUBR-GOSISDBHSA-N 1 1 329.444 2.832 20 10 EFCDMO C[C@@H]([NH2+][C@H](CO)c1cnn(C)c1)c1cc(Cl)c(Cl)cc1O ZINC000278675516 474770454 /nfs/dbraw/zinc/77/04/54/474770454.db2.gz JMTCZLAHIYTGOB-AMIZOPFISA-N 1 1 330.215 2.817 20 10 EFCDMO CC[N@H+](Cc1ccc(N(C)C)c(C)c1)[C@@H](C)CS(=O)(=O)CC ZINC000293063267 474794584 /nfs/dbraw/zinc/79/45/84/474794584.db2.gz LGVIKHIZDKXLTK-HNNXBMFYSA-N 1 1 326.506 2.706 20 10 EFCDMO CC[N@@H+](Cc1ccc(N(C)C)c(C)c1)[C@@H](C)CS(=O)(=O)CC ZINC000293063267 474794591 /nfs/dbraw/zinc/79/45/91/474794591.db2.gz LGVIKHIZDKXLTK-HNNXBMFYSA-N 1 1 326.506 2.706 20 10 EFCDMO CCCOc1ccc(CN2CC[N@H+](C3CCOCC3)C[C@@H]2C)c(O)c1 ZINC000278754950 474816097 /nfs/dbraw/zinc/81/60/97/474816097.db2.gz SRUKNNLWZJKBCB-INIZCTEOSA-N 1 1 348.487 2.866 20 10 EFCDMO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000268136294 474818611 /nfs/dbraw/zinc/81/86/11/474818611.db2.gz JNNORTFPJGXLJW-DNVCBOLYSA-N 1 1 344.503 2.767 20 10 EFCDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000268143348 474824201 /nfs/dbraw/zinc/82/42/01/474824201.db2.gz KXZLKAFZKCVQDX-SCLBCKFNSA-N 1 1 343.471 2.553 20 10 EFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCC(=O)NC2CCCCC2)c1 ZINC000273361062 474859959 /nfs/dbraw/zinc/85/99/59/474859959.db2.gz CZRCRPYTTHIPFA-ZDUSSCGKSA-N 1 1 348.443 2.668 20 10 EFCDMO COc1c(O)c(C[NH2+]CCO[C@@H]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000278857091 474877564 /nfs/dbraw/zinc/87/75/64/474877564.db2.gz LMVBIIJCLTZYNF-IUODEOHRSA-N 1 1 338.404 2.994 20 10 EFCDMO Cc1cc(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)c(C)n1-c1ccccn1 ZINC000268238820 474880435 /nfs/dbraw/zinc/88/04/35/474880435.db2.gz OKPOERWMBFJJGH-UGSOOPFHSA-N 1 1 338.455 2.702 20 10 EFCDMO COc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)c(OC)c1 ZINC000278868520 474882203 /nfs/dbraw/zinc/88/22/03/474882203.db2.gz MSXPEZZPMBZMML-UHFFFAOYSA-N 1 1 348.355 2.616 20 10 EFCDMO COc1c(O)c(C[NH2+]CCN(C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000278870857 474884694 /nfs/dbraw/zinc/88/46/94/474884694.db2.gz NAIJZGQZFILMPZ-UHFFFAOYSA-N 1 1 345.399 2.531 20 10 EFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)c2ccc(F)cc2)c1 ZINC000273420987 474890171 /nfs/dbraw/zinc/89/01/71/474890171.db2.gz SBAKYVIVOCQBAX-APPDUMDISA-N 1 1 333.359 2.702 20 10 EFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CC2(SC)CCOCC2)c1 ZINC000273455249 474907982 /nfs/dbraw/zinc/90/79/82/474907982.db2.gz HAMKGEGZVQDOSL-LBPRGKRZSA-N 1 1 339.457 2.742 20 10 EFCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@@](C)(O)c2ccsc2)c1 ZINC000273469191 474914273 /nfs/dbraw/zinc/91/42/73/474914273.db2.gz FISGGTBITGMOFG-PIGZYNQJSA-N 1 1 335.425 2.799 20 10 EFCDMO C[C@@H]1C[C@@H](N2CCOCC2)C[N@H+]1Cc1c(O)ccc2ccccc21 ZINC000285266943 474951881 /nfs/dbraw/zinc/95/18/81/474951881.db2.gz YILPVDFBBRBPBO-NVXWUHKLSA-N 1 1 326.440 2.840 20 10 EFCDMO COc1coc(C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)cc1=O ZINC000268418864 474969156 /nfs/dbraw/zinc/96/91/56/474969156.db2.gz AMSNTPNJKZMTTI-UHFFFAOYSA-N 1 1 328.412 2.879 20 10 EFCDMO COc1coc(C[N@@H+](Cc2ccc(N(C)C)cc2)C2CC2)cc1=O ZINC000268418864 474969163 /nfs/dbraw/zinc/96/91/63/474969163.db2.gz AMSNTPNJKZMTTI-UHFFFAOYSA-N 1 1 328.412 2.879 20 10 EFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000273569518 474969322 /nfs/dbraw/zinc/96/93/22/474969322.db2.gz KIMQOMLKSCQBKF-LBPRGKRZSA-N 1 1 344.367 2.980 20 10 EFCDMO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCCCn2cc[nH+]c2C)c1 ZINC000273584547 474976092 /nfs/dbraw/zinc/97/60/92/474976092.db2.gz NNBPZQNWSKANKE-CYBMUJFWSA-N 1 1 331.416 2.815 20 10 EFCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(OC)c(O)c2)c1 ZINC000273584413 474976225 /nfs/dbraw/zinc/97/62/25/474976225.db2.gz NKBQGKAWRPCQQS-LLVKDONJSA-N 1 1 331.368 2.744 20 10 EFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@H](O)c2cccc(OC)c2)c1 ZINC000273586016 474976805 /nfs/dbraw/zinc/97/68/05/474976805.db2.gz NTDLLBZYBUGEDF-SGTLLEGYSA-N 1 1 345.395 2.572 20 10 EFCDMO C[C@@H](NC(=O)c1cccc(O)c1O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000279789552 474990974 /nfs/dbraw/zinc/99/09/74/474990974.db2.gz IMCVXJLWYRDKKJ-GDBMZVCRSA-N 1 1 340.423 2.738 20 10 EFCDMO CO[C@]1(C)CCC[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000280314764 475020701 /nfs/dbraw/zinc/02/07/01/475020701.db2.gz GOBZPURYXIJKFJ-HXUWFJFHSA-N 1 1 347.503 2.602 20 10 EFCDMO Cc1cc(C[N@H+]2CCC[C@H](C(=O)NCC3CC3)C2)ccc1N(C)C ZINC000293619971 475044182 /nfs/dbraw/zinc/04/41/82/475044182.db2.gz WBJVRHIIPCTAGZ-SFHVURJKSA-N 1 1 329.488 2.799 20 10 EFCDMO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000268834023 475045759 /nfs/dbraw/zinc/04/57/59/475045759.db2.gz LEPAYBDBLBRCQE-VCBZYWHSSA-N 1 1 349.494 2.605 20 10 EFCDMO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000268834023 475045768 /nfs/dbraw/zinc/04/57/68/475045768.db2.gz LEPAYBDBLBRCQE-VCBZYWHSSA-N 1 1 349.494 2.605 20 10 EFCDMO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000268834023 475045776 /nfs/dbraw/zinc/04/57/76/475045776.db2.gz LEPAYBDBLBRCQE-VCBZYWHSSA-N 1 1 349.494 2.605 20 10 EFCDMO CC[C@@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1=O)c1ccc(F)cc1O ZINC000286046205 475049454 /nfs/dbraw/zinc/04/94/54/475049454.db2.gz KVEKTYXGENCUMK-NEPJUHHUSA-N 1 1 334.313 2.735 20 10 EFCDMO COc1c([O-])c(C[N@H+]2CCC[C@](CO)(C(C)C)C2)ccc1[N+](=O)[O-] ZINC000293872872 475055927 /nfs/dbraw/zinc/05/59/27/475055927.db2.gz CQTTXLRJVULEKO-KRWDZBQOSA-N 1 1 338.404 2.540 20 10 EFCDMO COc1c(O)c(C[N@@H+]2CCC[C@](CO)(C(C)C)C2)ccc1[N+](=O)[O-] ZINC000293872872 475055934 /nfs/dbraw/zinc/05/59/34/475055934.db2.gz CQTTXLRJVULEKO-KRWDZBQOSA-N 1 1 338.404 2.540 20 10 EFCDMO COc1c(O)c(C[N@H+]2CCC[C@](CO)(C(C)C)C2)ccc1[N+](=O)[O-] ZINC000293872872 475055941 /nfs/dbraw/zinc/05/59/41/475055941.db2.gz CQTTXLRJVULEKO-KRWDZBQOSA-N 1 1 338.404 2.540 20 10 EFCDMO Cc1cc(CN2CC[N@@H+](C3CCOCC3)C[C@@H]2C)ccc1N(C)C ZINC000294324041 475067074 /nfs/dbraw/zinc/06/70/74/475067074.db2.gz YDELLOUIHMUSPA-KRWDZBQOSA-N 1 1 331.504 2.746 20 10 EFCDMO CCCCC[N@@H+](CC(N)=O)Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000294968445 475096131 /nfs/dbraw/zinc/09/61/31/475096131.db2.gz KTGVUNIPUCYJLR-UHFFFAOYSA-N 1 1 347.503 2.779 20 10 EFCDMO COC1CCN(c2ccc(C[N@@H+](C)C[C@@H]3CCC[C@H]3O)cc2)CC1 ZINC000295028526 475098637 /nfs/dbraw/zinc/09/86/37/475098637.db2.gz VJSRWTWGHQJJCC-FXAWDEMLSA-N 1 1 332.488 2.895 20 10 EFCDMO Cn1cc([C@@H]2C[N@@H+](Cc3ccccc3O)CC23CCOCC3)cn1 ZINC000295096990 475103478 /nfs/dbraw/zinc/10/34/78/475103478.db2.gz UKJXDCPLLFTYFQ-KRWDZBQOSA-N 1 1 327.428 2.522 20 10 EFCDMO Cn1cc([C@H]2C[N@@H+](Cc3ccccc3O)CC23CCOCC3)cn1 ZINC000295096992 475104559 /nfs/dbraw/zinc/10/45/59/475104559.db2.gz UKJXDCPLLFTYFQ-QGZVFWFLSA-N 1 1 327.428 2.522 20 10 EFCDMO COc1c(O)c(C[NH2+]CCCc2ncccc2C)ccc1[N+](=O)[O-] ZINC000295141407 475108109 /nfs/dbraw/zinc/10/81/09/475108109.db2.gz ZVFKAGPANHABPF-UHFFFAOYSA-N 1 1 331.372 2.735 20 10 EFCDMO COc1ccc(O)c(C[N@H+]2CC[C@@H](C(=O)N(C)c3ccccc3)C2)c1 ZINC000281282956 475150177 /nfs/dbraw/zinc/15/01/77/475150177.db2.gz ZJEJFYWXTWTJHV-OAHLLOKOSA-N 1 1 340.423 2.886 20 10 EFCDMO COc1c(O)c(C[NH2+][C@@H](C(C)C)C2(CO)CCC2)ccc1[N+](=O)[O-] ZINC000292706032 475161393 /nfs/dbraw/zinc/16/13/93/475161393.db2.gz CWPMHDBKUYHQSG-INIZCTEOSA-N 1 1 338.404 2.586 20 10 EFCDMO CCCC[N@@H+](Cc1ccc(N(C)C)c(C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000292774401 475191395 /nfs/dbraw/zinc/19/13/95/475191395.db2.gz JYGOGRIOCAMBCG-QGZVFWFLSA-N 1 1 338.517 2.850 20 10 EFCDMO CN(C)c1ccc(CNc2[nH+]cccc2N2CCOCC2)cc1F ZINC000359876203 476270141 /nfs/dbraw/zinc/27/01/41/476270141.db2.gz UHZWQKMOYICIHN-UHFFFAOYSA-N 1 1 330.407 2.735 20 10 EFCDMO COc1c(O)c(C[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)ccc1[N+](=O)[O-] ZINC000372975733 476368272 /nfs/dbraw/zinc/36/82/72/476368272.db2.gz IOGNZBIHJWMGJN-HFBAOOFYSA-N 1 1 336.388 2.602 20 10 EFCDMO C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2C(N)=O)C1)c1ccc(F)cc1O ZINC000373255055 476388714 /nfs/dbraw/zinc/38/87/14/476388714.db2.gz IBGPRTVUVMFTSS-TZMCWYRMSA-N 1 1 343.402 2.560 20 10 EFCDMO CN(C)c1ccc(C[N@H+]2CC[C@@]3(C2)c2ccccc2NC3=O)cc1F ZINC000373531365 476413864 /nfs/dbraw/zinc/41/38/64/476413864.db2.gz DVJDRDLOEARCHL-HXUWFJFHSA-N 1 1 339.414 2.988 20 10 EFCDMO CCOc1cccc(C[N@H+]2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)c1O ZINC000374256520 476463593 /nfs/dbraw/zinc/46/35/93/476463593.db2.gz NYKOLJFNJFATON-DLBZAZTESA-N 1 1 345.443 2.613 20 10 EFCDMO CCOc1cccc(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)c1O ZINC000374256521 476464079 /nfs/dbraw/zinc/46/40/79/476464079.db2.gz NYKOLJFNJFATON-IAGOWNOFSA-N 1 1 345.443 2.613 20 10 EFCDMO CN(C)c1ccc(C[N@H+]2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)cc1F ZINC000374254314 476464144 /nfs/dbraw/zinc/46/41/44/476464144.db2.gz DHWSADLJDOBALB-QFBILLFUSA-N 1 1 346.450 2.713 20 10 EFCDMO CN(C)c1ccc(C[N@H+]2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)cc1F ZINC000374254310 476464345 /nfs/dbraw/zinc/46/43/45/476464345.db2.gz DHWSADLJDOBALB-APWZRJJASA-N 1 1 346.450 2.713 20 10 EFCDMO Cn1cc([C@H](O)C[C@H]2CCC[N@H+]2Cc2cc(Cl)ccc2O)cn1 ZINC000374258341 476465040 /nfs/dbraw/zinc/46/50/40/476465040.db2.gz VBHOZTNPKZZHPN-NVXWUHKLSA-N 1 1 335.835 2.867 20 10 EFCDMO Cn1cc([C@@H](O)C[C@H]2CCC[N@H+]2Cc2cc(Cl)ccc2O)cn1 ZINC000374258343 476465124 /nfs/dbraw/zinc/46/51/24/476465124.db2.gz VBHOZTNPKZZHPN-WBVHZDCISA-N 1 1 335.835 2.867 20 10 EFCDMO c1cc([C@H]2CCCC[N@@H+]2Cc2ccc(N3CCOCC3)cc2)n[nH]1 ZINC000377617579 476476232 /nfs/dbraw/zinc/47/62/32/476476232.db2.gz AKXCBARTOGGFFI-LJQANCHMSA-N 1 1 326.444 2.974 20 10 EFCDMO CCCN(Cc1ccccc1O)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000377622807 476480941 /nfs/dbraw/zinc/48/09/41/476480941.db2.gz IIQTYMYIYCWHCP-IRXDYDNUSA-N 1 1 331.460 2.941 20 10 EFCDMO Cc1ccc(O)c(C[N@H+]2CCCC[C@H]2COC(=O)N[C@@H]2CCOC2)c1 ZINC000377689509 476523399 /nfs/dbraw/zinc/52/33/99/476523399.db2.gz CCVKEXHEDKNFCL-SJORKVTESA-N 1 1 348.443 2.570 20 10 EFCDMO CC(=O)Nc1c[nH]nc1[C@H]1CCC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000374783372 476528434 /nfs/dbraw/zinc/52/84/34/476528434.db2.gz QUBOYQTWAVSTRB-LBPRGKRZSA-N 1 1 332.379 2.592 20 10 EFCDMO COc1c(O)c(C[NH2+][C@H]2CN(C)Cc3ccccc32)ccc1[N+](=O)[O-] ZINC000364670934 476541225 /nfs/dbraw/zinc/54/12/25/476541225.db2.gz GENMGTDWHOCCSS-HNNXBMFYSA-N 1 1 343.383 2.585 20 10 EFCDMO COCCn1c(C)c(C)c2cc(C(=O)NC3C[NH+](C(C)C)C3)ccc21 ZINC000430435964 476833760 /nfs/dbraw/zinc/83/37/60/476833760.db2.gz GONNSUAGJYTRJK-UHFFFAOYSA-N 1 1 343.471 2.727 20 10 EFCDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Cc1ccc(N)cc1 ZINC000370773177 476978981 /nfs/dbraw/zinc/97/89/81/476978981.db2.gz MZPQRPPFRRYJKE-JXFKEZNVSA-N 1 1 337.467 2.838 20 10 EFCDMO Cc1cc(Br)cc(C[N@H+]2CC[C@@H](n3cncn3)C2)c1O ZINC000377278734 477720860 /nfs/dbraw/zinc/72/08/60/477720860.db2.gz QZHNXMVAKYWODY-CYBMUJFWSA-N 1 1 337.221 2.502 20 10 EFCDMO Clc1cnn([C@H]2CC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C2)c1 ZINC000368117042 477787172 /nfs/dbraw/zinc/78/71/72/477787172.db2.gz WEAMBVPRZVGLAZ-SFHVURJKSA-N 1 1 346.862 2.820 20 10 EFCDMO Oc1cc2c(cc1C[N@H+]1CCCN3c4ccccc4C[C@@H]3C1)OCO2 ZINC000368219108 477791092 /nfs/dbraw/zinc/79/10/92/477791092.db2.gz YZBUDMQUXXNEBP-MRXNPFEDSA-N 1 1 338.407 2.758 20 10 EFCDMO C[N@H+]1CC[C@@]2(CCN(C(=O)NCc3ccc(N4CCCC4)cc3)C2)C1 ZINC000368305720 477797176 /nfs/dbraw/zinc/79/71/76/477797176.db2.gz ZBUITTBBLZLGRA-HXUWFJFHSA-N 1 1 342.487 2.524 20 10 EFCDMO Cc1c2ccccc2n(C)c1CNC(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000471671241 478007336 /nfs/dbraw/zinc/00/73/36/478007336.db2.gz MEEJHRCGYQRGOH-HOTGVXAUSA-N 1 1 340.471 2.913 20 10 EFCDMO Cc1c2ccccc2n(C)c1CNC(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000490344784 478332080 /nfs/dbraw/zinc/33/20/80/478332080.db2.gz QCQMRYYKXOEWLM-FQEVSTJZSA-N 1 1 340.471 2.724 20 10 EFCDMO C[C@H]([NH2+]CCCN1CCN(C)CC1)c1ccc(N2CCCCC2)cc1 ZINC000162559889 533850303 /nfs/dbraw/zinc/85/03/03/533850303.db2.gz ULRRRYPZIIFFPT-IBGZPJMESA-N 1 1 344.547 2.965 20 10 EFCDMO Oc1cc2c(cc1C[N@@H+]1CC[C@@H]3[C@H](CCCN3C3CC3)C1)OCO2 ZINC000157931651 534449502 /nfs/dbraw/zinc/44/95/02/534449502.db2.gz WVFJGNIEIAKBED-CZUORRHYSA-N 1 1 330.428 2.570 20 10 EFCDMO Oc1cc2c(cc1C[N@H+]1CC[C@@H]3[C@H](CCCN3C3CC3)C1)OCO2 ZINC000157931651 534449508 /nfs/dbraw/zinc/44/95/08/534449508.db2.gz WVFJGNIEIAKBED-CZUORRHYSA-N 1 1 330.428 2.570 20 10 EFCDMO CS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000298773801 525136231 /nfs/dbraw/zinc/13/62/31/525136231.db2.gz HCTJKEUZUNXSBG-CQSZACIVSA-N 1 1 333.453 2.802 20 10 EFCDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc(C)n(-c3ccccn3)c2C)C1 ZINC000174467862 527832842 /nfs/dbraw/zinc/83/28/42/527832842.db2.gz DTHRARDTSWQJGB-QGZVFWFLSA-N 1 1 340.471 2.903 20 10 EFCDMO CCN(CC)c1ccc(C[NH2+][C@H](C)CCN2CCN(C)CC2)cc1 ZINC000185881803 528306965 /nfs/dbraw/zinc/30/69/65/528306965.db2.gz SGUXPUOGSOQJNS-GOSISDBHSA-N 1 1 332.536 2.648 20 10 EFCDMO COC1CCN(c2ccc(C[N@@H+](C)Cc3cnn(C)c3)cc2)CC1 ZINC000296537368 536755807 /nfs/dbraw/zinc/75/58/07/536755807.db2.gz NPFBKEGTWVPRNZ-UHFFFAOYSA-N 1 1 328.460 2.667 20 10 EFCDMO COc1cc(O)c(C[N@H+]2CC[C@](CO)(c3ccccc3)C2)cc1OC ZINC000365835715 536856725 /nfs/dbraw/zinc/85/67/25/536856725.db2.gz GIVGOEDFRWJWHX-FQEVSTJZSA-N 1 1 343.423 2.545 20 10 EFCDMO COC(=O)C[C@@H]([NH2+]Cc1cc(Cl)cc(C(C)=O)c1O)C1CC1 ZINC000754524574 575446931 /nfs/dbraw/zinc/44/69/31/575446931.db2.gz PRBIIWFPGFQJFQ-CQSZACIVSA-N 1 1 325.792 2.680 20 10 EFCDMO Cc1cc(C)c(O)c(C[NH+]2CCC(CCN3CCOCC3)CC2)c1 ZINC000754732979 575479992 /nfs/dbraw/zinc/47/99/92/575479992.db2.gz YULBZOQWAIDWIH-UHFFFAOYSA-N 1 1 332.488 2.943 20 10 EFCDMO COC(=O)[C@@H]1C[N@@H+](Cc2cc(OC)cc(C(C)(C)C)c2O)C[C@H]1C ZINC000754740516 575481366 /nfs/dbraw/zinc/48/13/66/575481366.db2.gz UOJFZWFYJJIVKQ-IUODEOHRSA-N 1 1 335.444 2.939 20 10 EFCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCC(CC)(CC)C1)cc2=O ZINC000756023660 575673420 /nfs/dbraw/zinc/67/34/20/575673420.db2.gz PCSJBIDGVYQPEZ-UHFFFAOYSA-N 1 1 346.431 2.624 20 10 EFCDMO C[C@H]1C[C@@H]([NH2+]CC(C)(C)N2CCN(C)CC2)c2c1c(F)ccc2O ZINC000756400027 575731094 /nfs/dbraw/zinc/73/10/94/575731094.db2.gz UHHYGYUYNVYSRC-DZGCQCFKSA-N 1 1 335.467 2.695 20 10 EFCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@H](C(C)C)N2CCCC2)c1 ZINC000756402887 575731619 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Cc1cc(CN2CCC[N@@H+](C[C@H]3CCCO3)CC2)ccc1N(C)C ZINC000815014882 1287248636 /nfs/dbraw/zinc/24/86/36/1287248636.db2.gz CEFSCSXGLWHBAT-LJQANCHMSA-N 1 1 331.504 2.748 20 10 EFCDMO Cc1cc(C[N@@H+]2CCCN(C[C@H]3CCCO3)CC2)ccc1N(C)C ZINC000815014882 1287248642 /nfs/dbraw/zinc/24/86/42/1287248642.db2.gz CEFSCSXGLWHBAT-LJQANCHMSA-N 1 1 331.504 2.748 20 10 EFCDMO Cc1cc(C[N@H+]2CCCN(C[C@H]3CCCO3)CC2)ccc1N(C)C ZINC000815014882 1287248652 /nfs/dbraw/zinc/24/86/52/1287248652.db2.gz CEFSCSXGLWHBAT-LJQANCHMSA-N 1 1 331.504 2.748 20 10 EFCDMO Cc1nsc(N2CCC[N@H+](Cc3ccc(N(C)C)c(C)c3)CC2)n1 ZINC000815053897 1287269943 /nfs/dbraw/zinc/26/99/43/1287269943.db2.gz CPDYPEKDAOSHHY-UHFFFAOYSA-N 1 1 345.516 2.933 20 10 EFCDMO O=C(NCc1c(O)ccc2c1CCCC2)[C@H]1CC[N@H+]1C1CCCC1 ZINC000821070883 1277427067 /nfs/dbraw/zinc/42/70/67/1277427067.db2.gz PQPBKIGIKOZYJH-GOSISDBHSA-N 1 1 328.456 2.904 20 10 EFCDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2cccc(O)c2O)C1 ZINC000790570246 1277653217 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EFCDMO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1cccc(O)c1O ZINC000790910761 1277866171 /nfs/dbraw/zinc/86/61/71/1277866171.db2.gz AYBHAPVAWMFSJM-LSDHHAIUSA-N 1 1 340.423 2.833 20 10 EFCDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1cccc(O)c1O ZINC000790910761 1277866176 /nfs/dbraw/zinc/86/61/76/1277866176.db2.gz AYBHAPVAWMFSJM-LSDHHAIUSA-N 1 1 340.423 2.833 20 10 EFCDMO Oc1ccc(Cl)c(F)c1C[NH2+]C[C@H](O)COc1cccc(F)c1 ZINC000790954719 1277876324 /nfs/dbraw/zinc/87/63/24/1277876324.db2.gz WRBTZYMQSKYXCN-NSHDSACASA-N 1 1 343.757 2.853 20 10 EFCDMO O=C(C[NH2+]Cc1c(O)ccc(Cl)c1F)N1CCc2ccccc21 ZINC000790959962 1277880557 /nfs/dbraw/zinc/88/05/57/1277880557.db2.gz NSEUJGQXVSDYFI-UHFFFAOYSA-N 1 1 334.778 2.864 20 10 EFCDMO O=C1NCCc2ccc(C[NH2+]Cc3c(O)ccc(Cl)c3F)cc21 ZINC000790986157 1277890479 /nfs/dbraw/zinc/89/04/79/1277890479.db2.gz HZJKKNINFSIFGR-UHFFFAOYSA-N 1 1 334.778 2.760 20 10 EFCDMO Oc1ccc(Cl)c(F)c1C[NH2+]CCc1cn2c(n1)SCC2 ZINC000790992303 1277894782 /nfs/dbraw/zinc/89/47/82/1277894782.db2.gz WYRODPXWKKMVHQ-UHFFFAOYSA-N 1 1 327.812 2.819 20 10 EFCDMO CCN(C)c1ccc(C[N@@H+]2CCN3C(=O)N(CC(C)C)C[C@H]3C2)cc1 ZINC000815104194 1287327715 /nfs/dbraw/zinc/32/77/15/1287327715.db2.gz DGCGEMFYZVRVGN-LJQANCHMSA-N 1 1 344.503 2.721 20 10 EFCDMO CCN(C)c1ccc(C[N@H+]2CCN3C(=O)N(CC(C)C)C[C@H]3C2)cc1 ZINC000815104194 1287327719 /nfs/dbraw/zinc/32/77/19/1287327719.db2.gz DGCGEMFYZVRVGN-LJQANCHMSA-N 1 1 344.503 2.721 20 10 EFCDMO CC(C)C[N@@H+](CC(N)=O)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792789418 1279152844 /nfs/dbraw/zinc/15/28/44/1279152844.db2.gz ITAVSDBOFDMAMJ-UHFFFAOYSA-N 1 1 331.382 2.715 20 10 EFCDMO CN(C)c1ccc(C[N@@H+](C)[C@H]2CCCCNC2=O)c(C(F)(F)F)c1 ZINC000792796825 1279157206 /nfs/dbraw/zinc/15/72/06/1279157206.db2.gz DATJAIKMMFIXTB-HNNXBMFYSA-N 1 1 343.393 2.872 20 10 EFCDMO CCN(C)c1ccc(C[N@H+]2CCC[C@@H](CN3CCOCC3)C2)cc1 ZINC000815110665 1287329944 /nfs/dbraw/zinc/32/99/44/1287329944.db2.gz YDRQSBFDHSOEQM-IBGZPJMESA-N 1 1 331.504 2.687 20 10 EFCDMO C[C@@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)[C@H]1CC[NH3+] ZINC000844900648 1279322579 /nfs/dbraw/zinc/32/25/79/1279322579.db2.gz CAOWEBXQLYLTQZ-QAPCUYQASA-N 1 1 335.467 2.612 20 10 EFCDMO C[C@@H]1CCCN(Cc2ccc(N3CCOCC3)c(F)c2)[C@H]1CC[NH3+] ZINC000844900648 1279322586 /nfs/dbraw/zinc/32/25/86/1279322586.db2.gz CAOWEBXQLYLTQZ-QAPCUYQASA-N 1 1 335.467 2.612 20 10 EFCDMO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3c([O-])ccc(Cl)c3F)C2)C1 ZINC000844902512 1279323146 /nfs/dbraw/zinc/32/31/46/1279323146.db2.gz OIPDXHLPNHBUAF-HWWQOWPSSA-N 1 1 342.842 2.903 20 10 EFCDMO C[C@H]1CCC[N@@H+](CCNC(=O)NCc2cc(Cl)ccc2O)C1 ZINC000844880403 1279332410 /nfs/dbraw/zinc/33/24/10/1279332410.db2.gz RADVCWDLLMFQTG-LBPRGKRZSA-N 1 1 325.840 2.577 20 10 EFCDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NCc1cc(Cl)ccc1O ZINC000844939400 1279354366 /nfs/dbraw/zinc/35/43/66/1279354366.db2.gz PMDCBQFMTQCNER-NSHDSACASA-N 1 1 336.823 2.686 20 10 EFCDMO CN(C)c1ccc(C[N@H+]2CC[C@H](n3cncn3)C2)c(C(F)(F)F)c1 ZINC000793096747 1279375130 /nfs/dbraw/zinc/37/51/30/1279375130.db2.gz CLTBPYZKBXLBTG-AWEZNQCLSA-N 1 1 339.365 2.810 20 10 EFCDMO C[C@H](O)C[N@H+]1CCN(Cc2ccc(N3CCCCC3)cc2)[C@H](C)C1 ZINC000793593250 1279762309 /nfs/dbraw/zinc/76/23/09/1279762309.db2.gz WVDPMMOFJQKEQP-MSOLQXFVSA-N 1 1 331.504 2.564 20 10 EFCDMO C[C@H](O)CN1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)[C@H](C)C1 ZINC000793593250 1279762313 /nfs/dbraw/zinc/76/23/13/1279762313.db2.gz WVDPMMOFJQKEQP-MSOLQXFVSA-N 1 1 331.504 2.564 20 10 EFCDMO C[C@H](O)CN1CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)[C@H](C)C1 ZINC000793593250 1279762317 /nfs/dbraw/zinc/76/23/17/1279762317.db2.gz WVDPMMOFJQKEQP-MSOLQXFVSA-N 1 1 331.504 2.564 20 10 EFCDMO C[N@@H+](Cc1ccccc1)C1CCN(Cc2c(O)cc(O)cc2O)CC1 ZINC001144509126 1279768726 /nfs/dbraw/zinc/76/87/26/1279768726.db2.gz LMOJXJSJBRVNML-UHFFFAOYSA-N 1 1 342.439 2.900 20 10 EFCDMO COc1cccc(O[C@H]2CCC[N@@H+](Cc3c(O)cc(O)cc3O)C2)c1 ZINC001144509186 1279769683 /nfs/dbraw/zinc/76/96/83/1279769683.db2.gz OGUCYBYOPCBZAJ-INIZCTEOSA-N 1 1 345.395 2.855 20 10 EFCDMO CC[N@@H+](Cc1c(O)cc(O)cc1O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001144514829 1279774198 /nfs/dbraw/zinc/77/41/98/1279774198.db2.gz UCUYEOAMSNISQT-MRXNPFEDSA-N 1 1 342.439 2.900 20 10 EFCDMO Oc1cc(O)c(C[N@@H+]2CCO[C@@H](c3ccc(F)c(F)c3)C2)c(O)c1 ZINC001144515054 1279776221 /nfs/dbraw/zinc/77/62/21/1279776221.db2.gz CQJGNWNVLHATEV-QGZVFWFLSA-N 1 1 337.322 2.655 20 10 EFCDMO Oc1cc(O)c(C[N@H+]2CCO[C@@H](c3ccc(F)c(F)c3)C2)c(O)c1 ZINC001144515054 1279776226 /nfs/dbraw/zinc/77/62/26/1279776226.db2.gz CQJGNWNVLHATEV-QGZVFWFLSA-N 1 1 337.322 2.655 20 10 EFCDMO Cc1ccnc(O[C@@H]2CCC[N@@H+](Cc3c(O)cc(O)cc3O)C2)c1 ZINC001144516448 1279779366 /nfs/dbraw/zinc/77/93/66/1279779366.db2.gz YNVUVVOMFJYBDH-CQSZACIVSA-N 1 1 330.384 2.550 20 10 EFCDMO C[C@H]([NH2+]Cc1ccc(N2CCN(C)CC2)cc1)c1ccccc1O ZINC000845991701 1279961726 /nfs/dbraw/zinc/96/17/26/1279961726.db2.gz VUXNLNRKASCMDV-INIZCTEOSA-N 1 1 325.456 2.995 20 10 EFCDMO COc1ccc(O)c(C[N@H+]2CCN(C)C[C@H]2Cc2ccccc2)c1 ZINC000846066899 1280018020 /nfs/dbraw/zinc/01/80/20/1280018020.db2.gz IODRPYTWOOUZPG-GOSISDBHSA-N 1 1 326.440 2.760 20 10 EFCDMO C[C@H]([NH2+]CC[C@]1(O)CCCOC1)c1cccc(C(F)(F)F)c1O ZINC000846215184 1280071431 /nfs/dbraw/zinc/07/14/31/1280071431.db2.gz YYSPIQLCPQFVDQ-XHDPSFHLSA-N 1 1 333.350 2.993 20 10 EFCDMO CC[NH+]1CCC(NC(=O)NCc2cc(Cl)cc(Cl)c2O)CC1 ZINC000805178364 1280469865 /nfs/dbraw/zinc/46/98/65/1280469865.db2.gz MUUHRUCTKCXSRF-UHFFFAOYSA-N 1 1 346.258 2.983 20 10 EFCDMO C[C@H]1C[C@@H](NC(=O)NCc2cc(Cl)cc(Cl)c2O)CC[N@@H+]1C ZINC000805187745 1280474833 /nfs/dbraw/zinc/47/48/33/1280474833.db2.gz VKTGYVZZCPRCHF-CABZTGNLSA-N 1 1 346.258 2.981 20 10 EFCDMO C[C@H]1C[C@@H](NC(=O)NCc2cc(Cl)cc(Cl)c2O)CC[N@H+]1C ZINC000805187745 1280474841 /nfs/dbraw/zinc/47/48/41/1280474841.db2.gz VKTGYVZZCPRCHF-CABZTGNLSA-N 1 1 346.258 2.981 20 10 EFCDMO COc1ccc(N2CC[NH+](Cc3ccc4nonc4c3)CC2)cc1F ZINC000846814102 1280545439 /nfs/dbraw/zinc/54/54/39/1280545439.db2.gz NORYYAQWCDBRRB-UHFFFAOYSA-N 1 1 342.374 2.693 20 10 EFCDMO COCCOCC[N@@H+](C)Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000808237392 1281621485 /nfs/dbraw/zinc/62/14/85/1281621485.db2.gz OGTSEROWNGPYTJ-UHFFFAOYSA-N 1 1 325.449 2.793 20 10 EFCDMO CC(F)(F)C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000808462138 1281723221 /nfs/dbraw/zinc/72/32/21/1281723221.db2.gz TYYLMOJOMBKPTP-LBPRGKRZSA-N 1 1 332.778 2.781 20 10 EFCDMO CC(F)(F)C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000808462138 1281723232 /nfs/dbraw/zinc/72/32/32/1281723232.db2.gz TYYLMOJOMBKPTP-LBPRGKRZSA-N 1 1 332.778 2.781 20 10 EFCDMO CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCN3Cc2ccccc2)CC1 ZINC000809537060 1282271779 /nfs/dbraw/zinc/27/17/79/1282271779.db2.gz GAJXJCAPMNJJAY-UHFFFAOYSA-N 1 1 349.478 2.913 20 10 EFCDMO CCN(CC)c1ccc(C[N@H+]2C[C@H](N3CCOCC3)C[C@@H]2C)cc1F ZINC000809700796 1282388864 /nfs/dbraw/zinc/38/88/64/1282388864.db2.gz OIEQXZFWDUGTHX-FUHWJXTLSA-N 1 1 349.494 2.967 20 10 EFCDMO CCN(CC)c1ccc(C[N@H+]2C[C@@H](N3CCOCC3)C[C@H]2C)cc1F ZINC000809700795 1282390835 /nfs/dbraw/zinc/39/08/35/1282390835.db2.gz OIEQXZFWDUGTHX-AEFFLSMTSA-N 1 1 349.494 2.967 20 10 EFCDMO CCOc1ccc(O)c(C[N@H+]2CCCC[C@@H]2COC(=O)N(C)C)c1 ZINC000809710507 1282421374 /nfs/dbraw/zinc/42/13/74/1282421374.db2.gz ZEXZKHUJIYVVRN-OAHLLOKOSA-N 1 1 336.432 2.844 20 10 EFCDMO CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cccc(Cl)c1[O-] ZINC000809737938 1282437403 /nfs/dbraw/zinc/43/74/03/1282437403.db2.gz MSWZIWWYGJZKOP-MRXNPFEDSA-N 1 1 339.911 2.894 20 10 EFCDMO Cc1cc(Br)c(O)c(CN(C)CC[N@@H+](C)C2CC2)c1 ZINC000809754678 1282456567 /nfs/dbraw/zinc/45/65/67/1282456567.db2.gz MFYPQPBLQOICNU-UHFFFAOYSA-N 1 1 327.266 2.989 20 10 EFCDMO CN1CCN(c2ccc(C[N@@H+]3CCC[C@]3(C)CCCO)cc2)CC1 ZINC000809756126 1282458335 /nfs/dbraw/zinc/45/83/35/1282458335.db2.gz DGZLEJQRPXGRST-HXUWFJFHSA-N 1 1 331.504 2.565 20 10 EFCDMO CN1CCN(c2ccc(C[N@H+]3CCC[C@]3(C)CCCO)cc2)CC1 ZINC000809756126 1282458339 /nfs/dbraw/zinc/45/83/39/1282458339.db2.gz DGZLEJQRPXGRST-HXUWFJFHSA-N 1 1 331.504 2.565 20 10 EFCDMO C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cccc(Br)c1[O-] ZINC000809765544 1282463888 /nfs/dbraw/zinc/46/38/88/1282463888.db2.gz ODABAKIHHFSSTI-SMDDNHRTSA-N 1 1 327.266 2.927 20 10 EFCDMO C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cccc(Br)c1[O-] ZINC000809765544 1282463895 /nfs/dbraw/zinc/46/38/95/1282463895.db2.gz ODABAKIHHFSSTI-SMDDNHRTSA-N 1 1 327.266 2.927 20 10 EFCDMO C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cccc(Br)c1[O-] ZINC000809765544 1282463902 /nfs/dbraw/zinc/46/39/02/1282463902.db2.gz ODABAKIHHFSSTI-SMDDNHRTSA-N 1 1 327.266 2.927 20 10 EFCDMO C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cccc(Br)c1[O-] ZINC000809765544 1282463916 /nfs/dbraw/zinc/46/39/16/1282463916.db2.gz ODABAKIHHFSSTI-SMDDNHRTSA-N 1 1 327.266 2.927 20 10 EFCDMO CCC[C@@]1(CO)CC[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000809790788 1282490877 /nfs/dbraw/zinc/49/08/77/1282490877.db2.gz OKRHYMCSKJGAAO-LJQANCHMSA-N 1 1 336.451 2.647 20 10 EFCDMO CN(C)c1ccc(C[N@H+]2CCCC[C@H]2COC(=O)NC2CC2)cc1 ZINC000810038774 1282801483 /nfs/dbraw/zinc/80/14/83/1282801483.db2.gz ZNEXUGRFAWCBGK-SFHVURJKSA-N 1 1 331.460 2.996 20 10 EFCDMO C[C@H]([NH2+]C[C@@H](O)c1cnn(C)c1)c1cccc(C(F)(F)F)c1O ZINC000815584198 1287613690 /nfs/dbraw/zinc/61/36/90/1287613690.db2.gz XXSSBVNWERVXRW-TVQRCGJNSA-N 1 1 329.322 2.529 20 10 EFCDMO CCCCC[N@H+]1C[C@@H](NC(=O)c2cc(OC)nc(OC)c2)CC[C@@H]1C ZINC001132157281 1283062815 /nfs/dbraw/zinc/06/28/15/1283062815.db2.gz NIQCCOWIFAVDTM-HOCLYGCPSA-N 1 1 349.475 2.872 20 10 EFCDMO C[C@@H]([NH2+]Cc1ccc(C(N)=O)nc1)c1cccc(C(F)(F)F)c1O ZINC000815587768 1287618551 /nfs/dbraw/zinc/61/85/51/1287618551.db2.gz STTNWCRWDOQXIG-SECBINFHSA-N 1 1 339.317 2.756 20 10 EFCDMO CCS(=O)(=O)C[C@@H](C)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000815592730 1287619326 /nfs/dbraw/zinc/61/93/26/1287619326.db2.gz QMNXWHDVBIJSPN-ZJUUUORDSA-N 1 1 339.379 2.885 20 10 EFCDMO Cc1[nH+]cc2n1CC[C@H](C(=O)NCCCSc1nccs1)C2 ZINC000810399448 1283191062 /nfs/dbraw/zinc/19/10/62/1283191062.db2.gz XJJYPGBNLNAUFY-LBPRGKRZSA-N 1 1 336.486 2.509 20 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CCCc1noc([C@H]2CCC[N@H+](Cc3cc(O)c(O)c(O)c3)C2)n1 ZINC001233016784 1312833180 /nfs/dbraw/zinc/83/31/80/1312833180.db2.gz ODFXFVUGGSADMP-LBPRGKRZSA-N 1 1 333.388 2.519 20 10 EFCDMO CCCc1noc([C@H]2CCC[N@@H+](Cc3cc(O)c(O)c(O)c3)C2)n1 ZINC001233016784 1312833183 /nfs/dbraw/zinc/83/31/83/1312833183.db2.gz ODFXFVUGGSADMP-LBPRGKRZSA-N 1 1 333.388 2.519 20 10 EFCDMO C[NH+](C)[C@H]1CCC[C@H](NCc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877073487 1291125321 /nfs/dbraw/zinc/12/53/21/1291125321.db2.gz LMFVSTBDJYQZAY-HKUYNNGSSA-N 1 1 331.504 2.610 20 10 EFCDMO CN(C(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccc(N)cc1 ZINC000877077963 1291128329 /nfs/dbraw/zinc/12/83/29/1291128329.db2.gz XDASGMKOALMTBD-LJQANCHMSA-N 1 1 339.439 2.523 20 10 EFCDMO CN(C(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccc(N)cc1 ZINC000877077963 1291128332 /nfs/dbraw/zinc/12/83/32/1291128332.db2.gz XDASGMKOALMTBD-LJQANCHMSA-N 1 1 339.439 2.523 20 10 EFCDMO COC(=O)[C@@H]1CCCCC[N@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877187845 1291158295 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C[NH+](C)CC1(CNCc2ccc(N3CCC(O)CC3)cc2)CCCC1 ZINC000877348130 1291203664 /nfs/dbraw/zinc/20/36/64/1291203664.db2.gz CKOFBRRGLWPELO-UHFFFAOYSA-N 1 1 345.531 2.859 20 10 EFCDMO Cc1ccc(C[N@H+](C)C[C@]2(O)CCN(Cc3ccccc3)C2)c(O)c1 ZINC000877442011 1291235587 /nfs/dbraw/zinc/23/55/87/1291235587.db2.gz RVNFKUBJTQGJMA-OAQYLSRUSA-N 1 1 340.467 2.769 20 10 EFCDMO C[C@H]1C[C@@H](N2CCOCC2)C[N@H+]1Cc1cc2c(cc1O)CCCC2 ZINC000795697513 1291239399 /nfs/dbraw/zinc/23/93/99/1291239399.db2.gz DWSOTSZCHYIVJZ-HNAYVOBHSA-N 1 1 330.472 2.566 20 10 EFCDMO CC(C)(CNCc1ccc(N2CCC(O)CC2)cc1)C[NH+]1CCCC1 ZINC000877474671 1291242795 /nfs/dbraw/zinc/24/27/95/1291242795.db2.gz ZGKUQEHVBKXSGA-UHFFFAOYSA-N 1 1 345.531 2.859 20 10 EFCDMO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@H+]2Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877517209 1291255454 /nfs/dbraw/zinc/25/54/54/1291255454.db2.gz MJRYUMBRRZJWIB-WPCMGHOJSA-N 1 1 342.483 2.503 20 10 EFCDMO C[C@@H]1[C@H](N2CCCC2)CC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877522847 1291258928 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CC[N@H+]1CCN(Cc2cc(Br)c(OC)cc2O)C[C@H]1C ZINC001233142970 1312865816 /nfs/dbraw/zinc/86/58/16/1312865816.db2.gz TVLFEYBAKPTWPU-LLVKDONJSA-N 1 1 343.265 2.689 20 10 EFCDMO CCOCCN1CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000127426361 1291880697 /nfs/dbraw/zinc/88/06/97/1291880697.db2.gz YLGIFBJQCWACSK-UHFFFAOYSA-N 1 1 331.504 2.831 20 10 EFCDMO COc1ccc(N2CC[NH+](Cc3cnc4ccccn34)CC2)c(C)c1 ZINC001203159821 1312889003 /nfs/dbraw/zinc/88/90/03/1312889003.db2.gz SCCVHHGQRRKNJX-UHFFFAOYSA-N 1 1 336.439 2.974 20 10 EFCDMO CCOC(=O)c1c(C[N@@H+]2CC[C@@H](O)[C@@H](C)CC2)c2ccccc2n1C ZINC001233270231 1312889228 /nfs/dbraw/zinc/88/92/28/1312889228.db2.gz FZTULVVWCXLZFH-KBXCAEBGSA-N 1 1 344.455 2.948 20 10 EFCDMO CCOC(=O)c1c(C[N@H+]2CC[C@@H](O)[C@H](F)CC2)c2ccccc2n1C ZINC001233270593 1312890014 /nfs/dbraw/zinc/89/00/14/1312890014.db2.gz SPKTTWKKNXULJI-NVXWUHKLSA-N 1 1 348.418 2.650 20 10 EFCDMO CCOC(=O)c1c(C[N@H+]2CC[C@H](COC)C2)c2ccccc2n1C ZINC001233270684 1312890124 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EFCDMO Oc1cc(O)c(C[N@H+]2CCC[C@@H](Sc3ccncc3)C2)cc1O ZINC001233486027 1312940163 /nfs/dbraw/zinc/94/01/63/1312940163.db2.gz VDJGWVHIVPLWEX-CQSZACIVSA-N 1 1 332.425 2.955 20 10 EFCDMO CC(C)c1noc([C@H]2CCC[N@@H+](Cc3cc(O)c(O)cc3O)C2)n1 ZINC001233486392 1312940215 /nfs/dbraw/zinc/94/02/15/1312940215.db2.gz LOVONCUBRDSEKP-NSHDSACASA-N 1 1 333.388 2.689 20 10 EFCDMO CCN(Cc1cc(O)c(O)cc1O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001233485995 1312940260 /nfs/dbraw/zinc/94/02/60/1312940260.db2.gz TVXFDGYENQRCTP-KRWDZBQOSA-N 1 1 342.439 2.900 20 10 EFCDMO CC[N@H+](Cc1cc(O)c(O)cc1O)[C@H]1CCN(Cc2ccccc2)C1 ZINC001233485995 1312940261 /nfs/dbraw/zinc/94/02/61/1312940261.db2.gz TVXFDGYENQRCTP-KRWDZBQOSA-N 1 1 342.439 2.900 20 10 EFCDMO CC[N@@H+](Cc1cc(O)c(O)cc1O)[C@H]1CCN(Cc2ccccc2)C1 ZINC001233485995 1312940264 /nfs/dbraw/zinc/94/02/64/1312940264.db2.gz TVXFDGYENQRCTP-KRWDZBQOSA-N 1 1 342.439 2.900 20 10 EFCDMO Oc1cc(O)c(C[N@@H+]2CCc3nn(-c4ccccc4)cc3C2)cc1O ZINC001233486167 1312940288 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340.423 2.510 20 10 EFCDMO Oc1cc(O)c(C[N@@H+]2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)cc1O ZINC001233485607 1312940571 /nfs/dbraw/zinc/94/05/71/1312940571.db2.gz CYOXBNCNAAANRE-DOTOQJQBSA-N 1 1 340.423 2.510 20 10 EFCDMO Oc1cc(O)c(C[N@H+]2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)cc1O ZINC001233485607 1312940574 /nfs/dbraw/zinc/94/05/74/1312940574.db2.gz CYOXBNCNAAANRE-DOTOQJQBSA-N 1 1 340.423 2.510 20 10 EFCDMO C[C@H](c1ccc(F)cc1)N1CC[NH+](Cc2cc(O)c(O)cc2O)CC1 ZINC001233487857 1312941512 /nfs/dbraw/zinc/94/15/12/1312941512.db2.gz VBSQCRBTCLUITP-CYBMUJFWSA-N 1 1 346.402 2.821 20 10 EFCDMO C[C@H](c1ccc(F)cc1)[NH+]1CCN(Cc2cc(O)c(O)cc2O)CC1 ZINC001233487857 1312941516 /nfs/dbraw/zinc/94/15/16/1312941516.db2.gz VBSQCRBTCLUITP-CYBMUJFWSA-N 1 1 346.402 2.821 20 10 EFCDMO COc1cc(OC)c(C[N@H+]2CCc3cccc(O)c3C2)c(OC)c1 ZINC001203517142 1312943719 /nfs/dbraw/zinc/94/37/19/1312943719.db2.gz KBWCLQGDAQGVFW-UHFFFAOYSA-N 1 1 329.396 2.976 20 10 EFCDMO COC(=O)c1ccc(C[N@H+]2CCc3cccc(O)c3C2)cc1OC ZINC001233534451 1312952198 /nfs/dbraw/zinc/95/21/98/1312952198.db2.gz SCNUSQMNWXWUQB-UHFFFAOYSA-N 1 1 327.380 2.746 20 10 EFCDMO Oc1ccccc1C[N@H+]1CCO[C@H]2[C@@H](OCc3cccnc3)CC[C@@H]21 ZINC001203551666 1312954354 /nfs/dbraw/zinc/95/43/54/1312954354.db2.gz JZYCVGFWMGUBRV-YSIASYRMSA-N 1 1 340.423 2.736 20 10 EFCDMO CC(C)COC[C@H]1C[N@H+](Cc2ccccc2O)Cc2ncn(C)c21 ZINC001203551321 1312954475 /nfs/dbraw/zinc/95/44/75/1312954475.db2.gz CGVWTUORWJDHFQ-MRXNPFEDSA-N 1 1 329.444 2.898 20 10 EFCDMO CC(C)COC[C@H]1C[N@@H+](Cc2ccccc2O)Cc2ncn(C)c21 ZINC001203551321 1312954478 /nfs/dbraw/zinc/95/44/78/1312954478.db2.gz CGVWTUORWJDHFQ-MRXNPFEDSA-N 1 1 329.444 2.898 20 10 EFCDMO Oc1ccccc1C[N@H+]1CCO[C@]2(CCCN(c3cccnc3)C2)C1 ZINC001203551798 1312954713 /nfs/dbraw/zinc/95/47/13/1312954713.db2.gz OONLHSHQJIYFQQ-HXUWFJFHSA-N 1 1 339.439 2.659 20 10 EFCDMO Oc1ccccc1C[N@H+]1CCO[C@@]2(CCCN(c3cccnc3)C2)C1 ZINC001203551797 1312954741 /nfs/dbraw/zinc/95/47/41/1312954741.db2.gz OONLHSHQJIYFQQ-FQEVSTJZSA-N 1 1 339.439 2.659 20 10 EFCDMO O=C(c1cccc(F)c1)N1CC[C@H]2C[N@H+](Cc3ccccc3O)C[C@H]21 ZINC001203552233 1312954770 /nfs/dbraw/zinc/95/47/70/1312954770.db2.gz FVHWMSMUQHNFMU-MAUKXSAKSA-N 1 1 340.398 2.878 20 10 EFCDMO Oc1ccccc1CN1CCn2cc(C[NH+]3CCCCC3)nc2C1 ZINC001203553033 1312954968 /nfs/dbraw/zinc/95/49/68/1312954968.db2.gz YXMRYLIWAAWZEB-UHFFFAOYSA-N 1 1 326.444 2.590 20 10 EFCDMO C[N@H+](Cc1ccccc1O)C[C@H]1CN(Cc2ccccc2)CCO1 ZINC001203561529 1312956438 /nfs/dbraw/zinc/95/64/38/1312956438.db2.gz VUWVPHISXCWEQP-IBGZPJMESA-N 1 1 326.440 2.725 20 10 EFCDMO Oc1ccccc1C[N@H+]1CC[C@H](Oc2cc(C(F)(F)F)ncn2)C1 ZINC001203562948 1312957066 /nfs/dbraw/zinc/95/70/66/1312957066.db2.gz QHXNVJIORGLWOS-LBPRGKRZSA-N 1 1 339.317 2.854 20 10 EFCDMO COc1cccc(C[N@H+]2CC[C@]3(C2)c2ccccc2N(C)C3=O)c1O ZINC001203593867 1312965857 /nfs/dbraw/zinc/96/58/57/1312965857.db2.gz QXLACPUVWPPSPV-FQEVSTJZSA-N 1 1 338.407 2.521 20 10 EFCDMO COc1cccc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)OC(C)(C)C)[C@@H]3C2)c1O ZINC001203584390 1312963223 /nfs/dbraw/zinc/96/32/23/1312963223.db2.gz AHKSSSSQYUNKFK-QKDCVEJESA-N 1 1 348.443 2.603 20 10 EFCDMO COc1cccc(C[N@H+]2CCC3(CN(C(=O)OC(C)(C)C)C3)C2)c1O ZINC001203590049 1312965204 /nfs/dbraw/zinc/96/52/04/1312965204.db2.gz SFACZAOPFUWOHS-UHFFFAOYSA-N 1 1 348.443 2.844 20 10 EFCDMO COc1cccc(C[N@@H+]2CCC[C@@H]3[C@@H]2CN3C(=O)OC(C)(C)C)c1O ZINC001203589982 1312965254 /nfs/dbraw/zinc/96/52/54/1312965254.db2.gz PQGDYUUFYHBHFJ-CABCVRRESA-N 1 1 348.443 2.985 20 10 EFCDMO COc1cccc(C[N@H+]2CCC[C@@H]3[C@@H]2CN3C(=O)OC(C)(C)C)c1O ZINC001203589982 1312965257 /nfs/dbraw/zinc/96/52/57/1312965257.db2.gz PQGDYUUFYHBHFJ-CABCVRRESA-N 1 1 348.443 2.985 20 10 EFCDMO CCOC[C@H]1C[N@@H+](Cc2cccc(OC)c2O)Cc2cnn(CC)c21 ZINC001203592163 1312965287 /nfs/dbraw/zinc/96/52/87/1312965287.db2.gz QJXUAMNBCZKBGA-MRXNPFEDSA-N 1 1 345.443 2.753 20 10 EFCDMO CCOC[C@@H]1C[N@@H+](Cc2cccc(OC)c2O)Cc2cnn(CC)c21 ZINC001203592159 1312965402 /nfs/dbraw/zinc/96/54/02/1312965402.db2.gz QJXUAMNBCZKBGA-INIZCTEOSA-N 1 1 345.443 2.753 20 10 EFCDMO COc1cccc(C[NH+]2C[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)c1O ZINC001203595822 1312966469 /nfs/dbraw/zinc/96/64/69/1312966469.db2.gz PMQXVJLHVMKTTB-RTBURBONSA-N 1 1 338.451 2.965 20 10 EFCDMO COc1cccc(CN2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)c1O ZINC001203595822 1312966471 /nfs/dbraw/zinc/96/64/71/1312966471.db2.gz PMQXVJLHVMKTTB-RTBURBONSA-N 1 1 338.451 2.965 20 10 EFCDMO CCOC(=O)N1CCC([N@@H+](C)Cc2cccc(OCC)c2O)CC1 ZINC001203614307 1312971219 /nfs/dbraw/zinc/97/12/19/1312971219.db2.gz VWLHRYYNFVFMOW-UHFFFAOYSA-N 1 1 336.432 2.844 20 10 EFCDMO CCOC[C@H]1C[N@@H+](Cc2cccc(OCC)c2O)Cc2c1cnn2C ZINC001203603628 1312967841 /nfs/dbraw/zinc/96/78/41/1312967841.db2.gz UPTKTAFLQITNGJ-OAHLLOKOSA-N 1 1 345.443 2.660 20 10 EFCDMO CCOc1cccc(C[N@H+]2CC[C@](O)(C(F)(F)F)[C@@H](C)C2)c1O ZINC001203602395 1312968106 /nfs/dbraw/zinc/96/81/06/1312968106.db2.gz UEBWOMMTQFKABY-XHDPSFHLSA-N 1 1 333.350 2.926 20 10 EFCDMO COc1cccc(C[N@H+]2CC[C@H](N3Cc4ccccc4C3=O)C2)c1O ZINC001203601971 1312968394 /nfs/dbraw/zinc/96/83/94/1312968394.db2.gz UMSKALXTCRTDQW-INIZCTEOSA-N 1 1 338.407 2.631 20 10 EFCDMO CCOc1cccc(CN2CC[NH+](CCc3ccncc3)CC2)c1O ZINC001203609429 1312970259 /nfs/dbraw/zinc/97/02/59/1312970259.db2.gz SSEDCIWDISXXRG-UHFFFAOYSA-N 1 1 341.455 2.546 20 10 EFCDMO CCOC[C@H]1C[N@@H+](Cc2cccc(OCC)c2O)Cc2cnn(C)c21 ZINC001203608697 1312970459 /nfs/dbraw/zinc/97/04/59/1312970459.db2.gz ZQVHKCXCJFLLME-MRXNPFEDSA-N 1 1 345.443 2.660 20 10 EFCDMO CCOc1cccc(CN2CCC([N@@H+](CC)[C@@H]3CCOC3)CC2)c1O ZINC001203613917 1312971417 /nfs/dbraw/zinc/97/14/17/1312971417.db2.gz JXOYSJRCQMKEPD-GOSISDBHSA-N 1 1 348.487 2.866 20 10 EFCDMO CCOc1cccc(C[N@H+]2CC[C@H](Oc3ncc(C)cn3)C2)c1O ZINC001203617371 1312972194 /nfs/dbraw/zinc/97/21/94/1312972194.db2.gz OZLWENPWUREGKG-HNNXBMFYSA-N 1 1 329.400 2.543 20 10 EFCDMO COc1ccc(C[N@H+]2CCc3ncnc(OC(C)C)c3CC2)c(O)c1 ZINC001203622147 1312972976 /nfs/dbraw/zinc/97/29/76/1312972976.db2.gz QTEFHLPAHCSHNU-UHFFFAOYSA-N 1 1 343.427 2.579 20 10 EFCDMO COc1ccc(C[N@@H+]2CCC[C@@H]3[C@@H]2CN3C(=O)OC(C)(C)C)c(O)c1 ZINC001203622052 1312973043 /nfs/dbraw/zinc/97/30/43/1312973043.db2.gz MWIJRKMQMFRVDQ-CVEARBPZSA-N 1 1 348.443 2.985 20 10 EFCDMO COc1ccc(C[N@H+]2CCC[C@@H]3[C@@H]2CN3C(=O)OC(C)(C)C)c(O)c1 ZINC001203622052 1312973046 /nfs/dbraw/zinc/97/30/46/1312973046.db2.gz MWIJRKMQMFRVDQ-CVEARBPZSA-N 1 1 348.443 2.985 20 10 EFCDMO COc1ccc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)OC(C)(C)C)[C@@H]3C2)c(O)c1 ZINC001203620999 1312973095 /nfs/dbraw/zinc/97/30/95/1312973095.db2.gz MWBSZJPRTKUNGL-PHZGNYQRSA-N 1 1 348.443 2.603 20 10 EFCDMO COc1ccc(C[N@H+]2CC[C@H]3O[C@H](c4nc(C)no4)CC[C@H]32)c(O)c1 ZINC001203622807 1312973809 /nfs/dbraw/zinc/97/38/09/1312973809.db2.gz BXKSUFJWUOWMOY-OIISXLGYSA-N 1 1 345.399 2.587 20 10 EFCDMO CCOC[C@@H]1C[N@@H+](Cc2ccc(OC)cc2O)Cc2cnn(CC)c21 ZINC001203623219 1312974130 /nfs/dbraw/zinc/97/41/30/1312974130.db2.gz MSOBOEOQSALPSK-INIZCTEOSA-N 1 1 345.443 2.753 20 10 EFCDMO COc1ccc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)C3(CC3)C2)c(O)c1 ZINC001203629188 1312975695 /nfs/dbraw/zinc/97/56/95/1312975695.db2.gz SJKALIYKRUTZCN-UHFFFAOYSA-N 1 1 348.443 2.986 20 10 EFCDMO COc1ccc(C[N@H+]2CCN(C(=O)OC(C)(C)C)C3(CC3)C2)c(O)c1 ZINC001203629188 1312975697 /nfs/dbraw/zinc/97/56/97/1312975697.db2.gz SJKALIYKRUTZCN-UHFFFAOYSA-N 1 1 348.443 2.986 20 10 EFCDMO COc1ccc(C[N@H+]2CC[C@@]3(C[C@H](OCC4CC4)CO3)C2)c(O)c1 ZINC001203629977 1312975719 /nfs/dbraw/zinc/97/57/19/1312975719.db2.gz PMDBLWBOKBUKRZ-PKOBYXMFSA-N 1 1 333.428 2.561 20 10 EFCDMO COc1ccc(C[N@@H+]2CCO[C@@H](COc3ccccc3)C2)c(O)c1 ZINC001203629364 1312975859 /nfs/dbraw/zinc/97/58/59/1312975859.db2.gz YDMLVHKHCPJBIB-GOSISDBHSA-N 1 1 329.396 2.681 20 10 EFCDMO COc1ccc(C[N@H+]2CCO[C@@H](COc3ccccc3)C2)c(O)c1 ZINC001203629364 1312975862 /nfs/dbraw/zinc/97/58/62/1312975862.db2.gz YDMLVHKHCPJBIB-GOSISDBHSA-N 1 1 329.396 2.681 20 10 EFCDMO CC[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775556505 1293104563 /nfs/dbraw/zinc/10/45/63/1293104563.db2.gz YXPPWKRQNAEDMN-DOMZBBRYSA-N 1 1 333.259 2.806 20 10 EFCDMO CC[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775556505 1293104568 /nfs/dbraw/zinc/10/45/68/1293104568.db2.gz YXPPWKRQNAEDMN-DOMZBBRYSA-N 1 1 333.259 2.806 20 10 EFCDMO COc1ccc(C[N@H+]2CCC[C@H](Oc3ncccc3OC)C2)c(O)c1 ZINC001203634961 1312977139 /nfs/dbraw/zinc/97/71/39/1312977139.db2.gz CTEWMEMOIDVJPM-INIZCTEOSA-N 1 1 344.411 2.848 20 10 EFCDMO COc1ccc(C[N@H+]2CC[C@H](N3Cc4ccccc4C3=O)C2)c(O)c1 ZINC001203635184 1312977257 /nfs/dbraw/zinc/97/72/57/1312977257.db2.gz NQWRYHRUNVUKPZ-INIZCTEOSA-N 1 1 338.407 2.631 20 10 EFCDMO COc1ccc(C[N@H+]2C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)c(O)c1 ZINC001203634469 1312977462 /nfs/dbraw/zinc/97/74/62/1312977462.db2.gz HNKWXMVQCBWXIU-DOMZBBRYSA-N 1 1 336.432 2.746 20 10 EFCDMO COc1ccc(C[N@H+]2CCC[C@@H](Oc3nccnc3C)C2)c(O)c1 ZINC001203634937 1312977713 /nfs/dbraw/zinc/97/77/13/1312977713.db2.gz BTWUEOGOJWKWFY-MRXNPFEDSA-N 1 1 329.400 2.543 20 10 EFCDMO COC(=O)[C@H]1C[C@@H](C)C[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC001203645402 1312979744 /nfs/dbraw/zinc/97/97/44/1312979744.db2.gz GUBAAXGKAPUVIZ-PWSUYJOCSA-N 1 1 342.233 2.786 20 10 EFCDMO O=c1[nH]ccc2c1CC[N@H+](Cc1cc(Br)ccc1O)C2 ZINC001203650218 1312980283 /nfs/dbraw/zinc/98/02/83/1312980283.db2.gz NUOBHEGTIIFNKN-UHFFFAOYSA-N 1 1 335.201 2.814 20 10 EFCDMO COC(=O)N1CCC[N@@H+](Cc2cccc(OC(F)(F)F)c2O)CC1 ZINC001233736079 1312981748 /nfs/dbraw/zinc/98/17/48/1312981748.db2.gz CDYVKCDYMJDYIV-UHFFFAOYSA-N 1 1 348.321 2.565 20 10 EFCDMO Cc1noc(C[C@H]2C[C@H]3C[N@@H+](Cc4cc(Cl)ccc4O)C[C@H]3O2)n1 ZINC001203658730 1312982254 /nfs/dbraw/zinc/98/22/54/1312982254.db2.gz MZAPVHFXLWRSDI-JGGQBBKZSA-N 1 1 349.818 2.569 20 10 EFCDMO CN(C)c1ccc(-c2nc(C(=O)N[C@H]3CCC[N@@H+](C)C3)cs2)cc1 ZINC001193175232 1293181126 /nfs/dbraw/zinc/18/11/26/1293181126.db2.gz AHXSNUSWKMAFEH-AWEZNQCLSA-N 1 1 344.484 2.700 20 10 EFCDMO COCCN1CC[N@H+](Cc2cc(Cl)ccc2O)Cc2cccnc21 ZINC001203659749 1312983290 /nfs/dbraw/zinc/98/32/90/1312983290.db2.gz ZWJWNPPVCYSFTC-UHFFFAOYSA-N 1 1 347.846 2.909 20 10 EFCDMO COCCN1CC[N@@H+](Cc2cc(Cl)ccc2O)Cc2cccnc21 ZINC001203659749 1312983294 /nfs/dbraw/zinc/98/32/94/1312983294.db2.gz ZWJWNPPVCYSFTC-UHFFFAOYSA-N 1 1 347.846 2.909 20 10 EFCDMO COC1C[C@@H]2COC[C@H](C1)[N@@H+]2Cc1cccc(OC(F)(F)F)c1O ZINC001233754748 1312984844 /nfs/dbraw/zinc/98/48/44/1312984844.db2.gz JTIZVCRETLPXND-FUNVUKJBSA-N 1 1 347.333 2.669 20 10 EFCDMO COC1C[C@@H]2COC[C@H](C1)[N@H+]2Cc1cccc(OC(F)(F)F)c1O ZINC001233754748 1312984848 /nfs/dbraw/zinc/98/48/48/1312984848.db2.gz JTIZVCRETLPXND-FUNVUKJBSA-N 1 1 347.333 2.669 20 10 EFCDMO COc1ccc(O)c(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)c1 ZINC001203669772 1312985218 /nfs/dbraw/zinc/98/52/18/1312985218.db2.gz DIVNSGKGYBIGFZ-KBPBESRZSA-N 1 1 334.416 2.594 20 10 EFCDMO COc1ccc(O)c(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)c1 ZINC001203669772 1312985222 /nfs/dbraw/zinc/98/52/22/1312985222.db2.gz DIVNSGKGYBIGFZ-KBPBESRZSA-N 1 1 334.416 2.594 20 10 EFCDMO CC(C)[N@H+]1CC[C@H](NC(=O)c2ccc(O)c(O)c2Cl)[C@@H](C)C1 ZINC001193255308 1293216156 /nfs/dbraw/zinc/21/61/56/1293216156.db2.gz UIESCQMHGSSWEZ-JQWIXIFHSA-N 1 1 326.824 2.600 20 10 EFCDMO COc1ccc(O)c(C[N@H+]2CCC[C@](O)(C(F)(F)F)[C@@H](C)C2)c1 ZINC001203670710 1312985807 /nfs/dbraw/zinc/98/58/07/1312985807.db2.gz XMDMXNWQUQAWNN-XHDPSFHLSA-N 1 1 333.350 2.926 20 10 EFCDMO CCOC[C@H]1C[N@@H+](Cc2cc(OC)ccc2O)Cc2c1cnn2CC ZINC001203671330 1312985882 /nfs/dbraw/zinc/98/58/82/1312985882.db2.gz NSWSXJQYMRQEDQ-OAHLLOKOSA-N 1 1 345.443 2.753 20 10 EFCDMO Oc1c(C[NH+]2CC(N3CC[C@H](F)C3)C2)cccc1OC(F)(F)F ZINC001233761282 1312986108 /nfs/dbraw/zinc/98/61/08/1312986108.db2.gz QZSQXRBAJOPYKQ-NSHDSACASA-N 1 1 334.313 2.519 20 10 EFCDMO COc1ccc(O)c(C[N@H+]2CCC[C@@H](Oc3cc(C)ncn3)C2)c1 ZINC001203680607 1312988905 /nfs/dbraw/zinc/98/89/05/1312988905.db2.gz ABSUJRQBMIRMMI-MRXNPFEDSA-N 1 1 329.400 2.543 20 10 EFCDMO COC(=O)C[C@H]1CC[N@@H+](Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001233776072 1312989607 /nfs/dbraw/zinc/98/96/07/1312989607.db2.gz JKTDORMTAWBPEI-SNVBAGLBSA-N 1 1 333.306 2.676 20 10 EFCDMO COc1ccc(O)c(C[N@H+]2CCC[C@H](Oc3ncc(C)cn3)C2)c1 ZINC001203684156 1312989804 /nfs/dbraw/zinc/98/98/04/1312989804.db2.gz NSMFAGTZQXFKTN-INIZCTEOSA-N 1 1 329.400 2.543 20 10 EFCDMO CCC(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001233776166 1312989820 /nfs/dbraw/zinc/98/98/20/1312989820.db2.gz LUWDHSCEEWEKAF-GFCCVEGCSA-N 1 1 346.349 2.781 20 10 EFCDMO COc1cc(OC)cc([C@@H](O)C[NH2+]Cc2cc(F)cc(F)c2O)c1 ZINC000883011478 1293427365 /nfs/dbraw/zinc/42/73/65/1293427365.db2.gz WVDFTVUXRQCOTL-INIZCTEOSA-N 1 1 339.338 2.511 20 10 EFCDMO CCC[N@@H+](CC(=O)NC(=O)Nc1ccccc1)Cc1ccccc1O ZINC000130734828 1293427793 /nfs/dbraw/zinc/42/77/93/1293427793.db2.gz AFINHOPMNXBAIQ-UHFFFAOYSA-N 1 1 341.411 2.953 20 10 EFCDMO O=C1COc2ccccc2N1CCC[NH2+]Cc1cc(F)cc(F)c1O ZINC000883018282 1293432317 /nfs/dbraw/zinc/43/23/17/1293432317.db2.gz WPAVMBCKGKEYOJ-UHFFFAOYSA-N 1 1 348.349 2.576 20 10 EFCDMO COCC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000883290017 1293533027 /nfs/dbraw/zinc/53/30/27/1293533027.db2.gz IHBMGLMGCXCTKY-UYAOXDASSA-N 1 1 331.504 2.733 20 10 EFCDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1ccc2c(n1)OCCO2 ZINC001233895308 1313012830 /nfs/dbraw/zinc/01/28/30/1313012830.db2.gz VIFMXXYSOMXNET-UHFFFAOYSA-N 1 1 327.428 2.941 20 10 EFCDMO CC[C@@H](F)C[N@@H+](C)[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001194367829 1293599151 /nfs/dbraw/zinc/59/91/51/1293599151.db2.gz NCPZLAWATZVSQI-HIFRSBDPSA-N 1 1 349.410 2.743 20 10 EFCDMO O=c1cc2[nH]cnc(O[C@H]3CCN4Cc5ccccc5[NH+]=C34)c-2cc1O ZINC001233948937 1313024512 /nfs/dbraw/zinc/02/45/12/1313024512.db2.gz QTPRKSYQMWWZOI-KRWDZBQOSA-N 1 1 348.362 2.738 20 10 EFCDMO CCC[C@H](COC)[N@@H+](CCC(=O)OCC)Cc1ccc(O)c(O)c1 ZINC001203878779 1313040123 /nfs/dbraw/zinc/04/01/23/1313040123.db2.gz BPEIDYCYUFYNHT-OAHLLOKOSA-N 1 1 339.432 2.668 20 10 EFCDMO CC(C)(C)OC(=O)N1C[C@@H]2CC[N@H+](Cc3ccc(O)c(O)c3)C[C@@H]21 ZINC001203875586 1313038628 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EFCDMO CN1CC[C@@]2(CCC[N@H+]2Cc2ccc(C(F)(F)F)cc2O)C1=O ZINC001273836654 1296264417 /nfs/dbraw/zinc/26/44/17/1296264417.db2.gz SUTQWHQCHZMEDJ-HNNXBMFYSA-N 1 1 328.334 2.608 20 10 EFCDMO CN1CC[C@]2(CCC[N@H+]2Cc2ccc(C(F)(F)F)cc2O)C1=O ZINC001273836656 1296264725 /nfs/dbraw/zinc/26/47/25/1296264725.db2.gz SUTQWHQCHZMEDJ-OAHLLOKOSA-N 1 1 328.334 2.608 20 10 EFCDMO C[N@H+]1CCC[C@H]2CN(Cc3cc(Br)cc(F)c3[O-])C[C@H]21 ZINC001235066577 1313234776 /nfs/dbraw/zinc/23/47/76/1313234776.db2.gz KXKRWSIHWCIQDX-IINYFYTJSA-N 1 1 343.240 2.820 20 10 EFCDMO C[N@@H+]1CCC[C@H]2CN(Cc3cc(Br)cc(F)c3O)C[C@H]21 ZINC001235066577 1313234778 /nfs/dbraw/zinc/23/47/78/1313234778.db2.gz KXKRWSIHWCIQDX-IINYFYTJSA-N 1 1 343.240 2.820 20 10 EFCDMO C[N@H+]1CCC[C@H]2CN(Cc3cc(Br)cc(F)c3O)C[C@H]21 ZINC001235066577 1313234781 /nfs/dbraw/zinc/23/47/81/1313234781.db2.gz KXKRWSIHWCIQDX-IINYFYTJSA-N 1 1 343.240 2.820 20 10 EFCDMO CC[N@@H+]1C[C@@H]2C[C@H]1CN2Cc1cc(Br)cc(F)c1O ZINC001235075769 1313237701 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20 10 EFCDMO C[N@H+]1CC[C@@H]2C[NH+](Cc3cc(F)cc(Br)c3[O-])C[C@@H]2C1 ZINC001235293636 1313283199 /nfs/dbraw/zinc/28/31/99/1313283199.db2.gz KEUDILPALSTKIU-PWSUYJOCSA-N 1 1 343.240 2.677 20 10 EFCDMO C[NH+]1CC[C@@H]2C[N@H+](Cc3cc(F)cc(Br)c3[O-])C[C@@H]2C1 ZINC001235293636 1313283202 /nfs/dbraw/zinc/28/32/02/1313283202.db2.gz KEUDILPALSTKIU-PWSUYJOCSA-N 1 1 343.240 2.677 20 10 EFCDMO C[NH+]1CC[C@@H]2C[N@@H+](Cc3cc(F)cc(Br)c3[O-])C[C@@H]2C1 ZINC001235293636 1313283205 /nfs/dbraw/zinc/28/32/05/1313283205.db2.gz KEUDILPALSTKIU-PWSUYJOCSA-N 1 1 343.240 2.677 20 10 EFCDMO CC[N@@H+]1C[C@@H]2C[C@H]1CN2Cc1cc(F)cc(Br)c1O ZINC001235307005 1313287182 /nfs/dbraw/zinc/28/71/82/1313287182.db2.gz JVEWIDRLDUPEPL-RYUDHWBXSA-N 1 1 329.213 2.572 20 10 EFCDMO CC[N@H+]1C[C@@H]2C[C@H]1CN2Cc1cc(F)cc(Br)c1O ZINC001235307005 1313287185 /nfs/dbraw/zinc/28/71/85/1313287185.db2.gz JVEWIDRLDUPEPL-RYUDHWBXSA-N 1 1 329.213 2.572 20 10 EFCDMO Oc1c(Br)cc(Cl)cc1CN1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001235386765 1313308064 /nfs/dbraw/zinc/30/80/64/1313308064.db2.gz MOIJXNITTTZOSQ-PHIMTYICSA-N 1 1 331.641 2.744 20 10 EFCDMO C[C@@H]([NH2+]CCO[C@@H]1CCOC1)c1cc(Br)c(F)cc1O ZINC000927081394 1296986187 /nfs/dbraw/zinc/98/61/87/1296986187.db2.gz RLPHEUDNEAWDNU-NXEZZACHSA-N 1 1 348.212 2.750 20 10 EFCDMO C[C@H](NC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1)c1ccc(N(C)C)cc1 ZINC000776245042 1297221517 /nfs/dbraw/zinc/22/15/17/1297221517.db2.gz HEDXREGZXQGAFO-JKSUJKDBSA-N 1 1 332.492 2.797 20 10 EFCDMO C[C@H](NC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21)c1ccc(N(C)C)cc1 ZINC000776242606 1297243503 /nfs/dbraw/zinc/24/35/03/1297243503.db2.gz AAYDCSWTYWUNIR-VDZJLULYSA-N 1 1 344.503 2.939 20 10 EFCDMO CC(C)(C)c1ccc(C[N@H+]2C[C@](O)(C(F)(F)F)C[C@H]2CO)c(O)c1 ZINC001235673895 1313372149 /nfs/dbraw/zinc/37/21/49/1313372149.db2.gz BDMCFQQZYUDMSD-BBRMVZONSA-N 1 1 347.377 2.550 20 10 EFCDMO CC(C)(C)c1ccc(C[N@H+]2Cc3ccnn3CC[C@@H]2CO)c(O)c1 ZINC001235682064 1313373079 /nfs/dbraw/zinc/37/30/79/1313373079.db2.gz UKYHEJPSIJUFCQ-QGZVFWFLSA-N 1 1 329.444 2.653 20 10 EFCDMO C[N@@H+](Cc1ccc(C(C)(C)C)cc1O)C1CCS(=O)(=O)CC1 ZINC001235680987 1313373309 /nfs/dbraw/zinc/37/33/09/1313373309.db2.gz WJTGJTLQMVSCMH-UHFFFAOYSA-N 1 1 325.474 2.699 20 10 EFCDMO C[C@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1cc(F)cc(Br)c1[O-] ZINC001205912391 1313374858 /nfs/dbraw/zinc/37/48/58/1313374858.db2.gz ADGFOGGFVBECSF-UWVGGRQHSA-N 1 1 331.229 2.853 20 10 EFCDMO C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cc(F)cc(Br)c1[O-] ZINC001205912391 1313374860 /nfs/dbraw/zinc/37/48/60/1313374860.db2.gz ADGFOGGFVBECSF-UWVGGRQHSA-N 1 1 331.229 2.853 20 10 EFCDMO C[C@H]1[C@H](C[NH3+])CCCN1Cc1cc(F)cc(Br)c1O ZINC001205912391 1313374862 /nfs/dbraw/zinc/37/48/62/1313374862.db2.gz ADGFOGGFVBECSF-UWVGGRQHSA-N 1 1 331.229 2.853 20 10 EFCDMO C[C@@H]1[C@H](C[NH3+])CCCN1Cc1cc(Br)cc(F)c1O ZINC001205913699 1313374889 /nfs/dbraw/zinc/37/48/89/1313374889.db2.gz JBRNOECKPRQFCD-ZJUUUORDSA-N 1 1 331.229 2.853 20 10 EFCDMO CCN(CC)c1ccc(CN2CCN(C3(C)CC[NH2+]CC3)CC2)cc1 ZINC001235816699 1313403743 /nfs/dbraw/zinc/40/37/43/1313403743.db2.gz WGWLXVAJYKMQDE-UHFFFAOYSA-N 1 1 344.547 2.793 20 10 EFCDMO c1ccc([C@H]2C[N@@H+](Cc3ccc(N4CCOCC4)cc3)CCN2)cc1 ZINC001235852858 1313409827 /nfs/dbraw/zinc/40/98/27/1313409827.db2.gz HDEMYWYLGYUYME-OAQYLSRUSA-N 1 1 337.467 2.670 20 10 EFCDMO c1ccc([C@H]2CN(Cc3ccc(N4CCOCC4)cc3)CC[NH2+]2)cc1 ZINC001235852858 1313409830 /nfs/dbraw/zinc/40/98/30/1313409830.db2.gz HDEMYWYLGYUYME-OAQYLSRUSA-N 1 1 337.467 2.670 20 10 EFCDMO [NH3+][C@@H]1CCN(Cc2cc(Br)cc(F)c2O)CC[C@H]1F ZINC001206201005 1313419563 /nfs/dbraw/zinc/41/95/63/1313419563.db2.gz VEAZBWWUVBJOFQ-ZYHUDNBSSA-N 1 1 335.192 2.555 20 10 EFCDMO N[C@@]1(C(F)(F)F)CC[N@H+](Cc2c(O)cccc2Br)C1 ZINC001206230099 1313423447 /nfs/dbraw/zinc/42/34/47/1313423447.db2.gz YLZKUBYFKAFGCR-NSHDSACASA-N 1 1 339.155 2.620 20 10 EFCDMO N[C@@]1(C(F)(F)F)CC[N@@H+](Cc2c(O)cccc2Br)C1 ZINC001206230099 1313423449 /nfs/dbraw/zinc/42/34/49/1313423449.db2.gz YLZKUBYFKAFGCR-NSHDSACASA-N 1 1 339.155 2.620 20 10 EFCDMO Cc1cc(C)c(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)NC(C)C)c(O)c1 ZINC001276364847 1297791936 /nfs/dbraw/zinc/79/19/36/1297791936.db2.gz GPBBCDBKUORXTO-IYBDPMFKSA-N 1 1 331.460 2.776 20 10 EFCDMO CCC[C@@H]1CNCC[N@@H+]1Cc1ccc(OCC(F)(F)F)cc1O ZINC001236132866 1313445459 /nfs/dbraw/zinc/44/54/59/1313445459.db2.gz OYCVOPHKXNMAKJ-CYBMUJFWSA-N 1 1 332.366 2.907 20 10 EFCDMO CCC[C@@H]1CNCC[N@H+]1Cc1ccc(OCC(F)(F)F)cc1O ZINC001236132866 1313445462 /nfs/dbraw/zinc/44/54/62/1313445462.db2.gz OYCVOPHKXNMAKJ-CYBMUJFWSA-N 1 1 332.366 2.907 20 10 EFCDMO CN(Cc1c(O)cc(Br)cc1F)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236213499 1313456559 /nfs/dbraw/zinc/45/65/59/1313456559.db2.gz BBIKPFSARBDUAJ-STQMWFEESA-N 1 1 331.229 2.996 20 10 EFCDMO CN(Cc1cc(Br)c(F)cc1O)[C@]1(C)CCC[NH2+]C1 ZINC001236207572 1313455788 /nfs/dbraw/zinc/45/57/88/1313455788.db2.gz QZYDUGNRBSXCQU-CQSZACIVSA-N 1 1 331.229 2.868 20 10 EFCDMO COc1ccc(N2CC[NH+](CCNC(=O)OC(C)(C)C)CC2)c(C)c1 ZINC001236369360 1313474024 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COc1ccc(Br)c(C[N@H+]2C[C@H]3[C@H](CF)[C@H]3C2)c1O ZINC001231557514 1312525190 /nfs/dbraw/zinc/52/51/90/1312525190.db2.gz UHYJAEVKJUPVBN-OWUUHHOZSA-N 1 1 330.197 2.811 20 10 EFCDMO COc1cc(C[N@H+]2CCC[C@@](O)(C(F)(F)F)[C@H](C)C2)c(O)cc1O ZINC001231635125 1312536327 /nfs/dbraw/zinc/53/63/27/1312536327.db2.gz WBOFKGOTJGQCCB-BMIGLBTASA-N 1 1 349.349 2.632 20 10 EFCDMO COc1cc(C[N@H+]2CCN(C)[C@@H](c3ccccc3)C2)c(O)cc1O ZINC001231637050 1312536621 /nfs/dbraw/zinc/53/66/21/1312536621.db2.gz YUPSGCOMNSUPTA-MRXNPFEDSA-N 1 1 328.412 2.595 20 10 EFCDMO COc1cc(CN2CC[N@H+](C)[C@@H](c3ccccc3)C2)c(O)cc1O ZINC001231637050 1312536624 /nfs/dbraw/zinc/53/66/24/1312536624.db2.gz YUPSGCOMNSUPTA-MRXNPFEDSA-N 1 1 328.412 2.595 20 10 EFCDMO COc1cc(CN2CC[N@@H+](C)[C@@H](c3ccccc3)C2)c(O)cc1O ZINC001231637050 1312536627 /nfs/dbraw/zinc/53/66/27/1312536627.db2.gz YUPSGCOMNSUPTA-MRXNPFEDSA-N 1 1 328.412 2.595 20 10 EFCDMO COc1cc(C[NH+]2CCN([C@H](C)c3ccccc3)CC2)c(O)cc1O ZINC001231636376 1312536672 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COc1cc(C[N@H+](C)CCN(C)Cc2ccccc2)c(O)cc1O ZINC001231639264 1312538033 /nfs/dbraw/zinc/53/80/33/1312538033.db2.gz NQXYPCXZJJLFHM-UHFFFAOYSA-N 1 1 330.428 2.670 20 10 EFCDMO COc1cc(C[N@@H+](C)CCN(C)Cc2ccccc2)c(O)cc1O ZINC001231639264 1312538036 /nfs/dbraw/zinc/53/80/36/1312538036.db2.gz NQXYPCXZJJLFHM-UHFFFAOYSA-N 1 1 330.428 2.670 20 10 EFCDMO COc1cc(C[N@H+](C)Cc2cn3ccc(C)cc3n2)c(O)cc1O ZINC001231640916 1312538648 /nfs/dbraw/zinc/53/86/48/1312538648.db2.gz WTGZWNPDQYFJSD-UHFFFAOYSA-N 1 1 327.384 2.695 20 10 EFCDMO COc1cc(C[N@@H+](C)Cc2cn3ccc(C)cc3n2)c(O)cc1O ZINC001231640916 1312538651 /nfs/dbraw/zinc/53/86/51/1312538651.db2.gz WTGZWNPDQYFJSD-UHFFFAOYSA-N 1 1 327.384 2.695 20 10 EFCDMO Cc1ccc(C[N@H+]2C[C@@H]3CC[C@H](C2)[C@H]3C(=O)Nc2cn[nH]c2)c(O)c1 ZINC001277559742 1312556974 /nfs/dbraw/zinc/55/69/74/1312556974.db2.gz IMFLTFDNLRIGIO-JLVBRIDZSA-N 1 1 340.427 2.520 20 10 EFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@](C)(O)c2cccc(F)c2)c1 ZINC000903307760 1312559122 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20 10 EFCDMO COc1cc(N(C)C)ccc1C[N@H+]1CC[C@@](O)(C(F)(F)F)[C@@H](C)C1 ZINC001231849733 1312574503 /nfs/dbraw/zinc/57/45/03/1312574503.db2.gz XOEKLPMPHBBXRK-LRDDRELGSA-N 1 1 346.393 2.896 20 10 EFCDMO CCOC(=O)[C@H]1CCC[N@@H+](Cc2ccc(N(C)C)cc2OC)[C@@H]1C ZINC001231852841 1312575352 /nfs/dbraw/zinc/57/53/52/1312575352.db2.gz BBRSYISRQKARSD-PBHICJAKSA-N 1 1 334.460 2.925 20 10 EFCDMO COc1cc(N(C)C)ccc1C[N@H+]1CC[C@@H](Oc2ncc(C)cn2)C1 ZINC001231858339 1312575641 /nfs/dbraw/zinc/57/56/41/1312575641.db2.gz UESVQBOFDYNBKZ-QGZVFWFLSA-N 1 1 342.443 2.513 20 10 EFCDMO CCOC(=O)[C@@]1(C)CCC[N@@H+](Cc2ccc(N(C)C)cc2OC)C1 ZINC001231855078 1312575809 /nfs/dbraw/zinc/57/58/09/1312575809.db2.gz QDOLTRJZSKGDAB-IBGZPJMESA-N 1 1 334.460 2.926 20 10 EFCDMO COc1cc(N(C)C)ccc1C[N@H+]1CC[C@H](Oc2ccncc2)C1 ZINC001231855380 1312576140 /nfs/dbraw/zinc/57/61/40/1312576140.db2.gz RLGIBYFXZUYDLD-SFHVURJKSA-N 1 1 327.428 2.810 20 10 EFCDMO COc1ncnc2c1CC[N@@H+](Cc1cc(Cl)c(C)cc1O)CC2 ZINC001231866438 1312577607 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339.483 2.756 20 10 EFCDMO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1ccc2ccccc2c1[O-] ZINC001231880895 1312579692 /nfs/dbraw/zinc/57/96/92/1312579692.db2.gz SKADMUZNEUIGBG-VQTJNVASSA-N 1 1 339.483 2.756 20 10 EFCDMO COC(=O)CC[C@H]1COCC[N@@H+]1Cc1ccc2ccccc2c1O ZINC001231881665 1312580140 /nfs/dbraw/zinc/58/01/40/1312580140.db2.gz ADVSCQKDZVJKHV-INIZCTEOSA-N 1 1 329.396 2.699 20 10 EFCDMO CC(C)(O)CC[NH+]1CCN(Cc2ccc3ccccc3c2O)CC1 ZINC001231883705 1312580670 /nfs/dbraw/zinc/58/06/70/1312580670.db2.gz SWKVYFOFELDGAN-UHFFFAOYSA-N 1 1 328.456 2.824 20 10 EFCDMO C[C@@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)C[C@@]1(C)O ZINC001232194294 1312646133 /nfs/dbraw/zinc/64/61/33/1312646133.db2.gz HXTMIQHBRLOOMH-RDTXWAMCSA-N 1 1 338.879 2.769 20 10 EFCDMO C[C@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)[C@H]1CO ZINC001232194201 1312646350 /nfs/dbraw/zinc/64/63/50/1312646350.db2.gz DTIDJYILQOTVOT-KSSFIOAISA-N 1 1 338.879 2.769 20 10 EFCDMO C[N@H+]1CCC[C@H]2CN(Cc3ccc(N4CCOCC4)c(Cl)c3)C[C@H]21 ZINC001232199558 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EFCDMO [O-]c1cc(F)c(Cl)cc1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000827549324 1315998984 /nfs/dbraw/zinc/99/89/84/1315998984.db2.gz HVFGRZNVXUKCQY-ZDUSSCGKSA-N 1 1 328.815 2.528 20 10 EFCDMO CC(C)NC(=O)NCC[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000827719200 1316012478 /nfs/dbraw/zinc/01/24/78/1316012478.db2.gz GLNAZRBNEKIPEX-UHFFFAOYSA-N 1 1 332.492 2.816 20 10 EFCDMO Cc1cc(C(=O)C[N@@H+](C)CC(C)(C)O)c(C)n1-c1ccc(F)cn1 ZINC000827834374 1316021107 /nfs/dbraw/zinc/02/11/07/1316021107.db2.gz IOHVGIHWXMJVNM-UHFFFAOYSA-N 1 1 333.407 2.514 20 10 EFCDMO Cc1cc(C(=O)C[N@H+](C)CC(C)(C)O)c(C)n1-c1ccc(F)cn1 ZINC000827834374 1316021108 /nfs/dbraw/zinc/02/11/08/1316021108.db2.gz IOHVGIHWXMJVNM-UHFFFAOYSA-N 1 1 333.407 2.514 20 10 EFCDMO CCOC(=O)[C@@H]1CC[C@H]([N@@H+](C)Cc2ccc(N3CCOCC3)cc2)C1 ZINC001257062226 1316027662 /nfs/dbraw/zinc/02/76/62/1316027662.db2.gz KWKTVEGIMKMVGJ-MJGOQNOKSA-N 1 1 346.471 2.687 20 10 EFCDMO CCOC(=O)CC[C@@H](C)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC001258495869 1316156016 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COC[C@H](NCc1ccc(N2CC[NH+](C)CC2)c(F)c1)c1ccco1 ZINC001318885303 1328731970 /nfs/dbraw/zinc/73/19/70/1328731970.db2.gz VRJPCFWQPQWABK-KRWDZBQOSA-N 1 1 347.434 2.648 20 10 EFCDMO COc1ccc2ccc(O)c(C[N@@H+]3CC[S@](=O)[C@@H](C)[C@@H]3C)c2c1 ZINC000736597264 1321976828 /nfs/dbraw/zinc/97/68/28/1321976828.db2.gz WPVLBWHLBMXNIV-XCMOZONUSA-N 1 1 333.453 2.895 20 10 EFCDMO COc1ccc2ccc(O)c(C[N@H+]3CC[S@](=O)[C@@H](C)[C@@H]3C)c2c1 ZINC000736597264 1321976833 /nfs/dbraw/zinc/97/68/33/1321976833.db2.gz WPVLBWHLBMXNIV-XCMOZONUSA-N 1 1 333.453 2.895 20 10 EFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H](C)CC(=O)OC(C)(C)C)c1 ZINC001320419031 1329127910 /nfs/dbraw/zinc/12/79/10/1329127910.db2.gz AFTPEIMGHGIMGX-RYUDHWBXSA-N 1 1 337.416 2.950 20 10 EFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H](C)CC(=O)OC(C)(C)C)c1 ZINC001320419029 1329128152 /nfs/dbraw/zinc/12/81/52/1329128152.db2.gz AFTPEIMGHGIMGX-NEPJUHHUSA-N 1 1 337.416 2.950 20 10 EFCDMO CCOC[C@@H]1CCC[N@@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001320498155 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342.443 2.817 20 10 EFCDMO COc1ccc(N(C)CC[N@@H+](C)Cc2cccnc2N(C)C)cc1 ZINC001327306176 1330455858 /nfs/dbraw/zinc/45/58/58/1330455858.db2.gz VMDDMRWUDDPGJQ-UHFFFAOYSA-N 1 1 328.460 2.724 20 10 EFCDMO CCOC[C@H]1CCCC[N@H+]1Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001328219124 1330569695 /nfs/dbraw/zinc/56/96/95/1330569695.db2.gz FBRFEWZHBDYGBR-GOSISDBHSA-N 1 1 349.494 2.969 20 10 EFCDMO C[C@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)[C@H]1CC[NH3+] ZINC001328644443 1330611367 /nfs/dbraw/zinc/61/13/67/1330611367.db2.gz ZDRKVGHUTNWBHN-LPHOPBHVSA-N 1 1 348.510 2.527 20 10 EFCDMO CN(C)c1cc(F)c(C[NH2+][C@]2(CO)CCc3ccccc32)cc1F ZINC001329721540 1330730495 /nfs/dbraw/zinc/73/04/95/1330730495.db2.gz FHRZMYOSUTYRIX-IBGZPJMESA-N 1 1 332.394 2.954 20 10 EFCDMO CCc1[nH]nc(NCc2ccc(N3CC[NH+](C)CC3)c(F)c2)c1C ZINC001331486168 1330842161 /nfs/dbraw/zinc/84/21/61/1330842161.db2.gz RFQVIBUHXIQGEO-UHFFFAOYSA-N 1 1 331.439 2.784 20 10 EFCDMO COc1cc(C)cc(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)c1O ZINC001332691130 1331002624 /nfs/dbraw/zinc/00/26/24/1331002624.db2.gz JKZVGNVKHMSRNN-IAGOWNOFSA-N 1 1 345.443 2.531 20 10 EFCDMO CCOc1ccc(C[NH+]2CCN(Cc3ccc(N)cc3)CC2)cc1 ZINC001334775304 1331305078 /nfs/dbraw/zinc/30/50/78/1331305078.db2.gz VMQGTKLNLJBAPC-UHFFFAOYSA-N 1 1 325.456 2.985 20 10 EFCDMO Cc1ccc(CNC(=O)NCc2ccc(N)cc2)c(N2CCCC2)[nH+]1 ZINC001335557637 1331373341 /nfs/dbraw/zinc/37/33/41/1331373341.db2.gz QYNVTZDQIZFZTL-UHFFFAOYSA-N 1 1 339.443 2.572 20 10 EFCDMO Nc1ccc(CNC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)cc1 ZINC001335559624 1331373591 /nfs/dbraw/zinc/37/35/91/1331373591.db2.gz JNOGPZWBLSZKLH-GOSISDBHSA-N 1 1 330.476 2.865 20 10 EFCDMO Nc1ccc(C[NH+]2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)cc1 ZINC001336286987 1331455225 /nfs/dbraw/zinc/45/52/25/1331455225.db2.gz VJSOLNLEEVLCJL-UHFFFAOYSA-N 1 1 334.423 2.708 20 10 EFCDMO CCCc1nnc(NCc2ccc(N3CC[NH+](C)CC3)c(F)c2)o1 ZINC001337326450 1331562279 /nfs/dbraw/zinc/56/22/79/1331562279.db2.gz DJVMBLSQGJFMPP-UHFFFAOYSA-N 1 1 333.411 2.525 20 10 EFCDMO CCN(Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)CC(F)(F)F ZINC001341540185 1332266615 /nfs/dbraw/zinc/26/66/15/1332266615.db2.gz QAQYQXSBEAPGEP-UHFFFAOYSA-N 1 1 333.373 2.962 20 10 EFCDMO Nc1ccc(CNC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)cc1 ZINC001343567303 1332358318 /nfs/dbraw/zinc/35/83/18/1332358318.db2.gz ORUSTIRGWWJCEH-QGZVFWFLSA-N 1 1 341.430 2.936 20 10 EFCDMO CC(C)Cn1c(C2SC=CC2=O)nnc1N1CC[NH+](C(C)C)CC1 ZINC001344502141 1332459649 /nfs/dbraw/zinc/45/96/49/1332459649.db2.gz HAXKZYIINNSJKJ-UHFFFAOYSA-N 1 1 349.504 2.899 20 10 EFCDMO CCCCN(Cc1ccccc1O)C(=O)c1cc(C[NH+](C)C)on1 ZINC001344668447 1332471961 /nfs/dbraw/zinc/47/19/61/1332471961.db2.gz HVUGRFPRYHRWNB-UHFFFAOYSA-N 1 1 331.416 2.884 20 10 EFCDMO Cc1ccc([C@@H]([NH2+]Cc2ccc(N)cc2)[C@H](C)S(C)(=O)=O)cc1 ZINC001345159123 1332514211 /nfs/dbraw/zinc/51/42/11/1332514211.db2.gz BXUKXYIHCWFLSL-KSSFIOAISA-N 1 1 332.469 2.841 20 10 EFCDMO C[C@@H]1C[C@@H]2CC[C@H](C(=O)NCc3ccc(N(C)C)c(F)c3)C[N@H+]2C1 ZINC001346375496 1332631860 /nfs/dbraw/zinc/63/18/60/1332631860.db2.gz RMKCHDWVLLQJDO-KBMXLJTQSA-N 1 1 333.451 2.628 20 10 EFCDMO O=C(NC1CC1)[C@@H]1CCC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC001347701756 1332767606 /nfs/dbraw/zinc/76/76/06/1332767606.db2.gz MIOYFYZJBJGZJQ-SNVBAGLBSA-N 1 1 326.799 2.675 20 10 EFCDMO O=C(NC1CC1)[C@@H]1CCC[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC001347701756 1332767609 /nfs/dbraw/zinc/76/76/09/1332767609.db2.gz MIOYFYZJBJGZJQ-SNVBAGLBSA-N 1 1 326.799 2.675 20 10 EFCDMO O=C(NCc1cccc(O)c1O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001350299453 1333060721 /nfs/dbraw/zinc/06/07/21/1333060721.db2.gz AIUCRKOEZRPYIP-QGZVFWFLSA-N 1 1 340.423 2.626 20 10 EFCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@@](C(N)=O)(c2ccccc2)C1 ZINC001350328525 1333065275 /nfs/dbraw/zinc/06/52/75/1333065275.db2.gz WDKLIFIIAGHJRA-NRFANRHFSA-N 1 1 337.467 2.690 20 10 EFCDMO CN(C)c1cc(F)c(C[NH2+]CC(=O)N(C)C2CCCCC2)cc1F ZINC001351316524 1333210540 /nfs/dbraw/zinc/21/05/40/1333210540.db2.gz YEHVFAFDEJYPLC-UHFFFAOYSA-N 1 1 339.430 2.912 20 10 EFCDMO C[C@@H]([NH2+][C@H]1CCc2c(nnn2C)C1)c1cccc(C(F)(F)F)c1O ZINC000848562400 1334795828 /nfs/dbraw/zinc/79/58/28/1334795828.db2.gz CVYCDVPQKOGLFS-ZJUUUORDSA-N 1 1 340.349 2.748 20 10 EFCDMO C[C@H]([NH2+][C@@H]1CCc2c(nnn2C)C1)c1cccc(C(F)(F)F)c1O ZINC000848562398 1334796328 /nfs/dbraw/zinc/79/63/28/1334796328.db2.gz CVYCDVPQKOGLFS-VHSXEESVSA-N 1 1 340.349 2.748 20 10 EFCDMO C[C@H](C[NH2+]Cc1ccc(N2CCN(C)CC2)cc1)C(=O)OC(C)(C)C ZINC000848565954 1334797824 /nfs/dbraw/zinc/79/78/24/1334797824.db2.gz OGLHGJYYCYLIQJ-MRXNPFEDSA-N 1 1 347.503 2.506 20 10 EFCDMO CCc1cccc(C[NH+]2CCC(CCN3CCOCC3)CC2)c1O ZINC000848884328 1334960251 /nfs/dbraw/zinc/96/02/51/1334960251.db2.gz HIPQLYQBHFABRY-UHFFFAOYSA-N 1 1 332.488 2.889 20 10 EFCDMO CCc1cccc(C[N@H+]2CCC[C@H](c3nnc4n3CCC4)C2)c1O ZINC000848885310 1334961130 /nfs/dbraw/zinc/96/11/30/1334961130.db2.gz IQEKUWDQXRKFRM-INIZCTEOSA-N 1 1 326.444 2.872 20 10 EFCDMO CCc1cccc(C[N@H+]2CCN3C(=O)N(CC(C)C)C[C@@H]3C2)c1O ZINC000848907081 1334976960 /nfs/dbraw/zinc/97/69/60/1334976960.db2.gz IDHDQAFPZUZICB-KRWDZBQOSA-N 1 1 331.460 2.532 20 10 EFCDMO CCc1cccc(C[N@@H+](CCOC)Cc2c(C)nn(C)c2C)c1O ZINC000848913884 1334982854 /nfs/dbraw/zinc/98/28/54/1334982854.db2.gz AOZXKODRWOLYDR-UHFFFAOYSA-N 1 1 331.460 2.954 20 10 EFCDMO COc1c(O)c(C[NH2+]CCc2ncc(C)cc2C)ccc1[N+](=O)[O-] ZINC000848923032 1334989838 /nfs/dbraw/zinc/98/98/38/1334989838.db2.gz CPEQQYFKNQHSHR-UHFFFAOYSA-N 1 1 331.372 2.653 20 10 EFCDMO COc1cc(C[NH+]2CCN([C@H](C)C(F)(F)F)CC2)c(O)cc1C ZINC000160360819 714021276 /nfs/dbraw/zinc/02/12/76/714021276.db2.gz XJYOLOSSBVXQCD-GFCCVEGCSA-N 1 1 332.366 2.778 20 10 EFCDMO CCN(CC)c1ccc(C[N@H+](C)Cc2cnc3n2CCOC3)cc1 ZINC000891528983 714803918 /nfs/dbraw/zinc/80/39/18/714803918.db2.gz RXWPBNKRPFEXIW-UHFFFAOYSA-N 1 1 328.460 2.892 20 10 EFCDMO CCN(CC)c1ccc(C[N@@H+](C)Cc2cnc3n2CCOC3)cc1 ZINC000891528983 714803920 /nfs/dbraw/zinc/80/39/20/714803920.db2.gz RXWPBNKRPFEXIW-UHFFFAOYSA-N 1 1 328.460 2.892 20 10 EFCDMO COc1ccc(N2CC[NH+](C[C@@H](O)c3cccc(F)c3)CC2)cc1F ZINC000084866824 714955125 /nfs/dbraw/zinc/95/51/25/714955125.db2.gz LDQZJINORURLEH-GOSISDBHSA-N 1 1 348.393 2.829 20 10 EFCDMO Cc1cc(N(C)C)ccc1CNC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000085405840 714968082 /nfs/dbraw/zinc/96/80/82/714968082.db2.gz QCNJUTGUNMOCKG-MAUKXSAKSA-N 1 1 332.492 2.543 20 10 EFCDMO COc1ccc(C[N@H+]2CCCN(c3nccs3)CC2)c(O)c1OC ZINC000891802134 715028251 /nfs/dbraw/zinc/02/82/51/715028251.db2.gz OXXNKDABFPCUEQ-UHFFFAOYSA-N 1 1 349.456 2.578 20 10 EFCDMO COc1ccc(CN2CC[C@H](C[N@@H+](C)CC3CC3)C2)c(O)c1OC ZINC000892142407 715272600 /nfs/dbraw/zinc/27/26/00/715272600.db2.gz FGRKLRXLPPVQBB-OAHLLOKOSA-N 1 1 334.460 2.573 20 10 EFCDMO COc1cc(C(=O)N[C@@H]2CC[N@@H+](CC=C(C)C)[C@@H](C)C2)cc(OC)n1 ZINC000947497410 715411490 /nfs/dbraw/zinc/41/14/90/715411490.db2.gz IMQRSWIPSZOQDG-GOEBONIOSA-N 1 1 347.459 2.648 20 10 EFCDMO CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cccc(Br)c2[O-])C1 ZINC000048797603 715508185 /nfs/dbraw/zinc/50/81/85/715508185.db2.gz LILJJLWRHGZOIN-LBPRGKRZSA-N 1 1 327.266 2.975 20 10 EFCDMO CC(C)(C[C@H]1CCC[N@H+](Cc2cc(F)cc(F)c2O)C1)C(N)=O ZINC000894878010 722934271 /nfs/dbraw/zinc/93/42/71/722934271.db2.gz OVTUYQSFWCJXRO-LLVKDONJSA-N 1 1 326.387 2.784 20 10 EFCDMO CC(C)(C[C@H]1CCC[N@@H+](Cc2cc(F)cc(F)c2O)C1)C(N)=O ZINC000894878010 722934272 /nfs/dbraw/zinc/93/42/72/722934272.db2.gz OVTUYQSFWCJXRO-LLVKDONJSA-N 1 1 326.387 2.784 20 10 EFCDMO CC(C)C[N@H+]1C[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C(C)(C)C1 ZINC000977648943 716440118 /nfs/dbraw/zinc/44/01/18/716440118.db2.gz BLUMBOTVGKZBIN-HNNXBMFYSA-N 1 1 345.447 2.945 20 10 EFCDMO CC1(C)C[N@@H+](CC2CC2)C[C@@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000977664433 716460512 /nfs/dbraw/zinc/46/05/12/716460512.db2.gz VAYWQYLXCORNES-HNNXBMFYSA-N 1 1 343.431 2.699 20 10 EFCDMO CC1(C)C[N@@H+](CC2CC2)C[C@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000977664443 716460651 /nfs/dbraw/zinc/46/06/51/716460651.db2.gz VAYWQYLXCORNES-OAHLLOKOSA-N 1 1 343.431 2.699 20 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/nfs/dbraw/zinc/17/74/86/720177486.db2.gz GYYSFXCCMDUWAR-UHFFFAOYSA-N 1 1 332.350 2.934 20 10 EFCDMO COc1cc(C)cc(C[N@H+]2CCC[C@@H]2CN2C[C@@H](C)O[C@H](C)C2)c1O ZINC000893976233 720192312 /nfs/dbraw/zinc/19/23/12/720192312.db2.gz OZWOQWRSVWBIMZ-JFIYKMOQSA-N 1 1 348.487 2.783 20 10 EFCDMO COc1cc(C)cc(C[N@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)c1O ZINC000894006393 720219298 /nfs/dbraw/zinc/21/92/98/720219298.db2.gz UVRDPUPOGPHQEQ-CQSZACIVSA-N 1 1 342.443 2.627 20 10 EFCDMO COC(=O)[C@]1(C)CC[N@@H+](Cc2cc(Br)cc(F)c2[O-])C1 ZINC000894075408 720269091 /nfs/dbraw/zinc/26/90/91/720269091.db2.gz CIEQQSFEACDBKY-CQSZACIVSA-N 1 1 346.196 2.679 20 10 EFCDMO NC(=O)N=Nc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2CC2CCC2)cc1 ZINC001028340927 720400172 /nfs/dbraw/zinc/40/01/72/720400172.db2.gz YJABPJTUUCONFZ-INIZCTEOSA-N 1 1 343.431 2.843 20 10 EFCDMO CC[C@H](F)C[N@H+]1CCC[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001028344863 720530270 /nfs/dbraw/zinc/53/02/70/720530270.db2.gz QCQJAPAQBOKXRU-ZFWWWQNUSA-N 1 1 349.410 2.791 20 10 EFCDMO COC[C@@H]1C[N@@H+](Cc2c(O)ccc3ccc(OC)cc32)C[C@@H](C)O1 ZINC000249769112 720793568 /nfs/dbraw/zinc/79/35/68/720793568.db2.gz JEMSYWGDCJIQPV-CJNGLKHVSA-N 1 1 331.412 2.790 20 10 EFCDMO CN(C)c1ccc(CNC(=O)C[NH2+]C2(c3ccccc3F)CC2)cc1 ZINC000298844649 720858043 /nfs/dbraw/zinc/85/80/43/720858043.db2.gz IFAWWZNROMRSCE-UHFFFAOYSA-N 1 1 341.430 2.787 20 10 EFCDMO C[C@H](F)CC[N@H+]1CC[C@@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001029013829 722637748 /nfs/dbraw/zinc/63/77/48/722637748.db2.gz IPXPJIUXOGCLIF-STQMWFEESA-N 1 1 349.410 2.649 20 10 EFCDMO C[S@@](=O)C[C@@H]([NH2+]Cc1cc(F)cc(F)c1O)c1ccccc1 ZINC000894424120 722732774 /nfs/dbraw/zinc/73/27/74/722732774.db2.gz BJWQWIPYKDLZTB-IVZQSRNASA-N 1 1 325.380 2.880 20 10 EFCDMO Oc1c(F)cc(F)cc1C[NH+]1CCC(OC[C@H]2CCOC2)CC1 ZINC000894442460 722735744 /nfs/dbraw/zinc/73/57/44/722735744.db2.gz RZPUDRIVOBJKPB-LBPRGKRZSA-N 1 1 327.371 2.688 20 10 EFCDMO COC(=O)C[C@@](C)([NH2+]Cc1cc(F)cc(F)c1O)c1ccncc1 ZINC000894491930 722756918 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Cc1n[nH]c([C@@H]2CC[N@H+](Cc3cccc(Br)c3[O-])C2)n1 ZINC000895007588 723052170 /nfs/dbraw/zinc/05/21/70/723052170.db2.gz KGTYYWPYURTOAD-LLVKDONJSA-N 1 1 337.221 2.571 20 10 EFCDMO Cc1n[nH]c([C@@H]2CC[N@@H+](Cc3cccc(Br)c3[O-])C2)n1 ZINC000895007588 723052171 /nfs/dbraw/zinc/05/21/71/723052171.db2.gz KGTYYWPYURTOAD-LLVKDONJSA-N 1 1 337.221 2.571 20 10 EFCDMO CC(C)(C)OC(=O)N1CCO[C@]2(CC[N@@H+](Cc3ccccc3O)C2)C1 ZINC000896168193 723177453 /nfs/dbraw/zinc/17/74/53/723177453.db2.gz ODTRXFBLBULMQO-IBGZPJMESA-N 1 1 348.443 2.604 20 10 EFCDMO C[C@H]1C[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)Cc2ccccc21 ZINC000727240246 723872383 /nfs/dbraw/zinc/87/23/83/723872383.db2.gz HOEVPWWFWTZOTE-INIZCTEOSA-N 1 1 337.467 2.988 20 10 EFCDMO C[C@H]1C[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)Cc2ccccc21 ZINC000727240246 723872386 /nfs/dbraw/zinc/87/23/86/723872386.db2.gz HOEVPWWFWTZOTE-INIZCTEOSA-N 1 1 337.467 2.988 20 10 EFCDMO COc1c(O)c(C[NH+]2CCC(CSC)CC2)ccc1[N+](=O)[O-] ZINC000896940564 723903009 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EFCDMO C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)C3=CC(=O)CS3)c2)CCO1 ZINC000731871848 726946096 /nfs/dbraw/zinc/94/60/96/726946096.db2.gz SPMDTGUXPJALHC-CYBMUJFWSA-N 1 1 346.452 2.604 20 10 EFCDMO C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)C3=CC(=O)CS3)c2)CCO1 ZINC000731871848 726946100 /nfs/dbraw/zinc/94/61/00/726946100.db2.gz SPMDTGUXPJALHC-CYBMUJFWSA-N 1 1 346.452 2.604 20 10 EFCDMO COc1cccc(O)c1CNCC1([NH+]2CCCCC2)CCOCC1 ZINC000732231206 727007838 /nfs/dbraw/zinc/00/78/38/727007838.db2.gz LPEHYDNZJUTEAJ-UHFFFAOYSA-N 1 1 334.460 2.526 20 10 EFCDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccc(N2CCCCC2)cc1 ZINC000174812302 727125579 /nfs/dbraw/zinc/12/55/79/727125579.db2.gz NWBIJZZNBYGWBX-UHFFFAOYSA-N 1 1 343.431 2.914 20 10 EFCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1C[C@H](C)CCC[C@H]1C)cc2=O ZINC000246483528 727402118 /nfs/dbraw/zinc/40/21/18/727402118.db2.gz AGFFFHPRVAARNI-CHWSQXEVSA-N 1 1 346.431 2.622 20 10 EFCDMO CC1CCN(C(=O)C[N@@H+](Cc2ccc(N(C)C)cc2)C2CC2)CC1 ZINC000917074043 727763421 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EFCDMO CCOC(=O)[C@@H](C)[N@@H+](CC)Cc1cc(Br)ccc1O ZINC000076118506 727994035 /nfs/dbraw/zinc/99/40/35/727994035.db2.gz ULFLNRLURGHBIA-SNVBAGLBSA-N 1 1 330.222 2.928 20 10 EFCDMO COc1cc(C[N@@H+](C)C[C@H]2CCN(C(C)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000165130339 728016285 /nfs/dbraw/zinc/01/62/85/728016285.db2.gz MJOHERHMEBYKDN-OAHLLOKOSA-N 1 1 348.487 2.999 20 10 EFCDMO CCc1nn(C)cc1C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000183513309 728145925 /nfs/dbraw/zinc/14/59/25/728145925.db2.gz ORIABJZNBWOHTB-QGZVFWFLSA-N 1 1 329.444 2.869 20 10 EFCDMO C[C@H](N[C@H]1CC[N@H+](CC2CC2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000157817422 728217376 /nfs/dbraw/zinc/21/73/76/728217376.db2.gz KOIMLMIWNSOXAW-YJBOKZPZSA-N 1 1 347.478 2.797 20 10 EFCDMO C[C@H](N[C@H]1CC[N@@H+](CC2CC2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000157817422 728217379 /nfs/dbraw/zinc/21/73/79/728217379.db2.gz KOIMLMIWNSOXAW-YJBOKZPZSA-N 1 1 347.478 2.797 20 10 EFCDMO CC(=O)c1cc(F)cc(C[NH2+][C@H](C)c2nnc3ccccn32)c1O ZINC000182702146 728328630 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CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CCC[C@H](C3OCCO3)C2)c1 ZINC000172491578 728593022 /nfs/dbraw/zinc/59/30/22/728593022.db2.gz XXRXYGJABTXCNA-ZDUSSCGKSA-N 1 1 335.444 2.980 20 10 EFCDMO COc1ccc(N2CCC[N@@H+]([C@@H](C)C(=O)OC(C)(C)C)CC2)cc1 ZINC000172528134 728595730 /nfs/dbraw/zinc/59/57/30/728595730.db2.gz QMTHGCAZOMBUKO-HNNXBMFYSA-N 1 1 334.460 2.938 20 10 EFCDMO COc1ccc(N2CCC[N@H+]([C@@H](C)C(=O)OC(C)(C)C)CC2)cc1 ZINC000172528134 728595732 /nfs/dbraw/zinc/59/57/32/728595732.db2.gz QMTHGCAZOMBUKO-HNNXBMFYSA-N 1 1 334.460 2.938 20 10 EFCDMO COc1ccc(N2CCC[N@@H+]([C@H](C)C(=O)OC(C)(C)C)CC2)cc1 ZINC000172528141 728595855 /nfs/dbraw/zinc/59/58/55/728595855.db2.gz QMTHGCAZOMBUKO-OAHLLOKOSA-N 1 1 334.460 2.938 20 10 EFCDMO COc1ccc(N2CCC[N@H+]([C@H](C)C(=O)OC(C)(C)C)CC2)cc1 ZINC000172528141 728595856 /nfs/dbraw/zinc/59/58/56/728595856.db2.gz QMTHGCAZOMBUKO-OAHLLOKOSA-N 1 1 334.460 2.938 20 10 EFCDMO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)CN1C(=O)C(C)(C)C1(C)C ZINC000172817784 728606750 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CN(C)c1ccc(C[N@@H+](C)CN2Cc3ccc(F)cc3C2=O)cc1 ZINC000179850397 729637263 /nfs/dbraw/zinc/63/72/63/729637263.db2.gz GCJGTQBRJBDQPG-UHFFFAOYSA-N 1 1 327.403 2.937 20 10 EFCDMO CN(C)c1ccc(C[NH+]2CCN(C(=O)Cc3ccccc3)CC2)cc1 ZINC000179978421 729661260 /nfs/dbraw/zinc/66/12/60/729661260.db2.gz ZLQPLDGAPCUZSD-UHFFFAOYSA-N 1 1 337.467 2.640 20 10 EFCDMO COc1ccc(O)c(C[N@@H+]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)c1 ZINC000180194350 729707071 /nfs/dbraw/zinc/70/70/71/729707071.db2.gz HKYWCERFQSERAI-CYBMUJFWSA-N 1 1 336.432 2.842 20 10 EFCDMO COc1ccc(O)c(C[N@H+]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)c1 ZINC000180194350 729707073 /nfs/dbraw/zinc/70/70/73/729707073.db2.gz HKYWCERFQSERAI-CYBMUJFWSA-N 1 1 336.432 2.842 20 10 EFCDMO C[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1cc(C(=O)[O-])ccc1O ZINC001593258235 994540560 /nfs/dbraw/zinc/54/05/60/994540560.db2.gz YLEFDEALVDRLCU-DZGCQCFKSA-N 1 1 332.444 2.863 20 10 EFCDMO C/C(=C/C(=O)N1C[C@H](C)[NH2+]Cc2ccc(F)cc21)c1cnccn1 ZINC001574969367 1088178757 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10 EFCDMO CN(C)c1ccc(/C=C/C[N@@H+]2Cc3cccc(-c4nn[nH]n4)c3C2)cc1 ZINC001591031835 1093654168 /nfs/dbraw/zinc/65/41/68/1093654168.db2.gz WKAKJDADOPVTGX-SNAWJCMRSA-N 1 1 346.438 2.962 20 10 EFCDMO CN(C)c1ccc(/C=C/C[N@H+]2Cc3cccc(-c4nn[nH]n4)c3C2)cc1 ZINC001591031835 1093654173 /nfs/dbraw/zinc/65/41/73/1093654173.db2.gz WKAKJDADOPVTGX-SNAWJCMRSA-N 1 1 346.438 2.962 20 10 EFCDMO COc1cccc(C[N@@H+](C)[C@H](C)c2cccc(-c3nn[nH]n3)c2)c1O ZINC001591638232 1093810182 /nfs/dbraw/zinc/81/01/82/1093810182.db2.gz OZAGWDHKISHOKE-GFCCVEGCSA-N 1 1 339.399 2.774 20 10 EFCDMO CN(C)c1ccc(/C=C/C(=O)N2CC3(CC[N@H+]3C3CCCC3)C2)cc1 ZINC001270932705 1100284405 /nfs/dbraw/zinc/28/44/05/1100284405.db2.gz PMFZDALNOXWWBN-FMIVXFBMSA-N 1 1 339.483 2.995 20 10 EFCDMO COC(=O)[C@]1(C)CCC[N@H+](Cc2cccc(Br)c2O)C1 ZINC000840974869 1102634659 /nfs/dbraw/zinc/63/46/59/1102634659.db2.gz IZXJPNUEDIDMCC-OAHLLOKOSA-N 1 1 342.233 2.930 20 10 EFCDMO COC(=O)[C@]1(C)CCC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000840974869 1102634667 /nfs/dbraw/zinc/63/46/67/1102634667.db2.gz IZXJPNUEDIDMCC-OAHLLOKOSA-N 1 1 342.233 2.930 20 10 EFCDMO [NH3+]CCc1ccc(C[NH2+]Cc2cc(Br)ccc2[O-])cc1 ZINC000841032196 1102839657 /nfs/dbraw/zinc/83/96/57/1102839657.db2.gz OTNMHLIKVPSMSE-UHFFFAOYSA-N 1 1 335.245 2.946 20 10 EFCDMO COc1cc(CNC[C@H]([NH3+])c2ccc(N(C)C)cc2)cc(OC)c1 ZINC000841041244 1102878380 /nfs/dbraw/zinc/87/83/80/1102878380.db2.gz YURDPQJPWMFCBN-IBGZPJMESA-N 1 1 329.444 2.559 20 10 EFCDMO CN(Cc1ccc(N2CCOCC2)cc1)C1CC[NH+](CC2CC2)CC1 ZINC001168390975 1104184715 /nfs/dbraw/zinc/18/47/15/1104184715.db2.gz JQXCYJITJMSJIZ-UHFFFAOYSA-N 1 1 343.515 2.829 20 10 EFCDMO C[N@H+](Cc1ccc(N2CCOCC2)cc1)C1CCN(CC2CC2)CC1 ZINC001168390975 1104184723 /nfs/dbraw/zinc/18/47/23/1104184723.db2.gz JQXCYJITJMSJIZ-UHFFFAOYSA-N 1 1 343.515 2.829 20 10 EFCDMO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C1CCN(CC2CC2)CC1 ZINC001168390975 1104184731 /nfs/dbraw/zinc/18/47/31/1104184731.db2.gz JQXCYJITJMSJIZ-UHFFFAOYSA-N 1 1 343.515 2.829 20 10 EFCDMO CC(C)(C)[N@H+]1CC[C@@H]1C(=O)NCc1cccc(Br)c1O ZINC000897577334 1105780052 /nfs/dbraw/zinc/78/00/52/1105780052.db2.gz VVNAGCWMHGRHSA-GFCCVEGCSA-N 1 1 341.249 2.644 20 10 EFCDMO COc1ccc(C[N@@H+](CCCO)Cc2c(O)cccc2OC)cc1 ZINC000898172382 1106258318 /nfs/dbraw/zinc/25/83/18/1106258318.db2.gz FMDPTBGGFLPCGU-UHFFFAOYSA-N 1 1 331.412 2.794 20 10 EFCDMO CC(C)C[N@H+]1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)[C@H]1C ZINC001089068023 1107403991 /nfs/dbraw/zinc/40/39/91/1107403991.db2.gz ITAWNEYYNVOLNV-DOMZBBRYSA-N 1 1 331.420 2.698 20 10 EFCDMO O=C1N(CC2CCCC2)CC[C@@]12CC[N@H+](Cc1cc(O)ccc1O)C2 ZINC001272386841 1108150324 /nfs/dbraw/zinc/15/03/24/1108150324.db2.gz NYGZKPLQCUQVRS-HXUWFJFHSA-N 1 1 344.455 2.712 20 10 EFCDMO CN(C)c1ccc(CN2CC[C@]3(CCC[N@H+]3CC3CC3)C2=O)cc1 ZINC001272492438 1108523251 /nfs/dbraw/zinc/52/32/51/1108523251.db2.gz YNZMKHGLHPTDJJ-HXUWFJFHSA-N 1 1 327.472 2.730 20 10 EFCDMO CN(C)c1ccc([C@@H](C[NH2+]Cc2ncc(Cl)n2C)N(C)C)cc1 ZINC000898449378 1108942785 /nfs/dbraw/zinc/94/27/85/1108942785.db2.gz CZHGVNDFNHNKGL-OAHLLOKOSA-N 1 1 335.883 2.532 20 10 EFCDMO COc1ncc(CNC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)s1 ZINC000898450091 1108944135 /nfs/dbraw/zinc/94/41/35/1108944135.db2.gz MZSJJSAIOLQOBV-MRXNPFEDSA-N 1 1 334.489 2.610 20 10 EFCDMO CN(C)c1ccc([C@H](C[NH2+]Cc2cnn(C)c2Cl)N(C)C)cc1 ZINC000898450235 1108944405 /nfs/dbraw/zinc/94/44/05/1108944405.db2.gz PCPWSMAQMQLWIO-INIZCTEOSA-N 1 1 335.883 2.532 20 10 EFCDMO COc1cc(CNC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)sn1 ZINC000898446774 1108948153 /nfs/dbraw/zinc/94/81/53/1108948153.db2.gz AHSHFVKCLNYBBN-MRXNPFEDSA-N 1 1 334.489 2.610 20 10 EFCDMO COc1ccc(N2CCN(C(=O)C[N@@H+](C)[C@H](C)C(C)(C)C)CC2)cc1 ZINC000914574599 1111265470 /nfs/dbraw/zinc/26/54/70/1111265470.db2.gz RIHLXJXTTZUXTH-MRXNPFEDSA-N 1 1 347.503 2.710 20 10 EFCDMO CC[C@@H](C)N1C(=O)C[C@]2(CCC[N@@H+](Cc3cc(C)ccc3O)C2)C1=O ZINC001272622371 1111759397 /nfs/dbraw/zinc/75/93/97/1111759397.db2.gz GUKPTRTUEKASJM-QRWLVFNGSA-N 1 1 344.455 2.840 20 10 EFCDMO CC[C@@H](C)N1CC[C@@]2(CC[N@@H+](Cc3cccc(OC)c3O)C2)C1=O ZINC001272622460 1111759523 /nfs/dbraw/zinc/75/95/23/1111759523.db2.gz KMIKCJCKQWXMOB-AUUYWEPGSA-N 1 1 332.444 2.624 20 10 EFCDMO COc1ccc(C[N@H+]2CCC[C@@]23CCN(CC=C(C)C)C3=O)c(O)c1 ZINC001272624650 1111763638 /nfs/dbraw/zinc/76/36/38/1111763638.db2.gz AIFFOXIOMHFOTP-FQEVSTJZSA-N 1 1 344.455 2.934 20 10 EFCDMO COc1ccc(C[N@H+]2CC[C@@]3(CCN(C4CCCC4)C3=O)C2)c(O)c1 ZINC001272626449 1111767744 /nfs/dbraw/zinc/76/77/44/1111767744.db2.gz XLXCGBHVQDOQRG-HXUWFJFHSA-N 1 1 344.455 2.768 20 10 EFCDMO CC[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccc(OC)cc1O ZINC001272626390 1111768123 /nfs/dbraw/zinc/76/81/23/1111768123.db2.gz WTKRCQRMACPTCA-IAOVAPTHSA-N 1 1 332.444 2.765 20 10 EFCDMO COc1ccc(O)c(C[N@H+]2CCC[C@@]23CCN(CC=C(C)C)C3=O)c1 ZINC001272637241 1111786465 /nfs/dbraw/zinc/78/64/65/1111786465.db2.gz KRESPNVWGWXWFW-FQEVSTJZSA-N 1 1 344.455 2.934 20 10 EFCDMO CC[C@@H](C)N1CC[C@]2(CCC[N@H+]2Cc2cc(OC)ccc2O)C1=O ZINC001272637742 1111788273 /nfs/dbraw/zinc/78/82/73/1111788273.db2.gz NANKNLCTCGFHEC-AUUYWEPGSA-N 1 1 332.444 2.766 20 10 EFCDMO CC[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(OC)ccc1O ZINC001272638793 1111797761 /nfs/dbraw/zinc/79/77/61/1111797761.db2.gz UYWZKFZQAQNMRH-IAOVAPTHSA-N 1 1 332.444 2.765 20 10 EFCDMO CCCCN1CC[C@@]2(CC[N@@H+](Cc3ccc(O)c(C)c3O)C2)C1=O ZINC001272660393 1111954765 /nfs/dbraw/zinc/95/47/65/1111954765.db2.gz QKFOLCPGWOZVDG-LJQANCHMSA-N 1 1 332.444 2.631 20 10 EFCDMO COCCC[N@@H+](CCOC)Cc1ccc(Br)cc1O ZINC000691677154 1112265617 /nfs/dbraw/zinc/26/56/17/1112265617.db2.gz MUEUJGNNIYKBQJ-UHFFFAOYSA-N 1 1 332.238 2.640 20 10 EFCDMO CCCN(Cc1cc(F)cc(Br)c1O)[C@H]1CC[NH2+]C1 ZINC001236325118 1112384173 /nfs/dbraw/zinc/38/41/73/1112384173.db2.gz ZRKZVYQBETXPAA-LBPRGKRZSA-N 1 1 331.229 2.868 20 10 EFCDMO CCc1cc(N2CC=C(CCNC(=O)[C@H](C)SC)CC2)nc(C)[nH+]1 ZINC001089808334 1113070219 /nfs/dbraw/zinc/07/02/19/1113070219.db2.gz CJRILXPNGBCRBY-ZDUSSCGKSA-N 1 1 348.516 2.742 20 10 EFCDMO CCc1nc(N2CC=C(CCNC(=O)/C=C\C3CC3)CC2)cc(C)[nH+]1 ZINC001089817423 1117770047 /nfs/dbraw/zinc/77/00/47/1117770047.db2.gz MVVDMUDCZLWFLP-SREVYHEPSA-N 1 1 340.471 2.956 20 10 EFCDMO Cc1cc(N2CC=C(CCNC(=O)/C=C\C3CC3)CC2)nc(C)[nH+]1 ZINC001089817551 1117772267 /nfs/dbraw/zinc/77/22/67/1117772267.db2.gz PVWCCUWPKYGQDW-WAYWQWQTSA-N 1 1 326.444 2.702 20 10 EFCDMO CS[C@H](C)CC(=O)NCCC1=CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC001089820449 1117878120 /nfs/dbraw/zinc/87/81/20/1117878120.db2.gz WUUKWUYWCNKOCI-CQSZACIVSA-N 1 1 348.516 2.878 20 10 EFCDMO Cc1cc(N2CC=C(CCNC(=O)Cc3ccoc3)CC2)nc(C)[nH+]1 ZINC001089822851 1117942358 /nfs/dbraw/zinc/94/23/58/1117942358.db2.gz QZADZBOVLPJGGG-UHFFFAOYSA-N 1 1 340.427 2.572 20 10 EFCDMO CSC[C@H](C)C(=O)NCCC1=CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC001089823019 1117943284 /nfs/dbraw/zinc/94/32/84/1117943284.db2.gz USYLGFOZNFCGGV-ZDUSSCGKSA-N 1 1 348.516 2.735 20 10 EFCDMO CCc1nc(N2CC=C(CCNC(=O)CCCF)CC2)cc(C)[nH+]1 ZINC001089850327 1118318419 /nfs/dbraw/zinc/31/84/19/1118318419.db2.gz URQRLYDAAHNHHZ-UHFFFAOYSA-N 1 1 334.439 2.740 20 10 EFCDMO Cc1cc(N2CC=C(CCNC(=O)[C@@H]3CC[C@@H](F)C3)CC2)nc(C)[nH+]1 ZINC001089855405 1118415457 /nfs/dbraw/zinc/41/54/57/1118415457.db2.gz JTEVPJSBWJMFBZ-IAGOWNOFSA-N 1 1 346.450 2.874 20 10 EFCDMO C[C@@H]1C[C@@H]1C[N@H+]1CC[C@@]2(CCN(Cc3ccc(N(C)C)cc3)C2=O)C1 ZINC001272700111 1118430366 /nfs/dbraw/zinc/43/03/66/1118430366.db2.gz RUTTUCOQYCFUTC-HGHGUNKESA-N 1 1 341.499 2.833 20 10 EFCDMO COc1cc(O)c(C[N@@H+](C)CC2(C)COC2)c(Br)c1 ZINC001237072888 1118585213 /nfs/dbraw/zinc/58/52/13/1118585213.db2.gz MUBSGNLUSCQSLW-UHFFFAOYSA-N 1 1 330.222 2.632 20 10 EFCDMO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)c2nnnn2-c2ccccc2)c1 ZINC000182389423 1118602687 /nfs/dbraw/zinc/60/26/87/1118602687.db2.gz QALNLHQSKQKXRP-CHWSQXEVSA-N 1 1 339.399 2.788 20 10 EFCDMO Cc1cc(O)c(C[N@H+]2CC[C@@H](O)[C@@H](F)CC2)cc1Br ZINC001237676158 1118789884 /nfs/dbraw/zinc/78/98/84/1118789884.db2.gz GGAWOHAZVFHNRR-QWHCGFSZSA-N 1 1 332.213 2.758 20 10 EFCDMO CCc1nc(N2CC=C(CCNC(=O)[C@H]3CC34CC4)CC2)cc(C)[nH+]1 ZINC001089863688 1118831177 /nfs/dbraw/zinc/83/11/77/1118831177.db2.gz DBZKCWFBHBOFQR-MRXNPFEDSA-N 1 1 340.471 2.790 20 10 EFCDMO CCc1cc(N2CC=C(CCNC(=O)[C@@H]3CC34CC4)CC2)nc(C)[nH+]1 ZINC001089864231 1118854901 /nfs/dbraw/zinc/85/49/01/1118854901.db2.gz UHNXOBDEAUKBQT-KRWDZBQOSA-N 1 1 340.471 2.790 20 10 EFCDMO Cc1cc(N2CC=C(CCNC(=O)[C@]34C[C@H]3CCC4)CC2)nc(C)[nH+]1 ZINC001089871602 1119177767 /nfs/dbraw/zinc/17/77/67/1119177767.db2.gz ZGZAODIHZHPIQK-YLJYHZDGSA-N 1 1 340.471 2.926 20 10 EFCDMO CC(C)[N@H+]1CC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)[C@@H](C)C1 ZINC000945220657 1120679459 /nfs/dbraw/zinc/67/94/59/1120679459.db2.gz HEIMESJQLDPBKR-SWLSCSKDSA-N 1 1 331.420 2.698 20 10 EFCDMO C[C@@H]1C[N@@H+](CC2CC2)CC[C@@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000945223769 1120682432 /nfs/dbraw/zinc/68/24/32/1120682432.db2.gz QEYOOODLQRKDOW-WBMJQRKESA-N 1 1 343.431 2.699 20 10 EFCDMO CC(C)C[N@H+]1CC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)[C@@H](C)C1 ZINC000945227317 1120685307 /nfs/dbraw/zinc/68/53/07/1120685307.db2.gz XYHGHZFZFXMQQO-XJKSGUPXSA-N 1 1 345.447 2.945 20 10 EFCDMO CN(c1ccc(CNC(=O)[C@H]2CSC[NH2+]2)cc1)C1CCCCC1 ZINC000166469912 530035000 /nfs/dbraw/zinc/03/50/00/530035000.db2.gz XNFAPKPIPQNVGW-QGZVFWFLSA-N 1 1 333.501 2.734 20 10 EFCDMO Oc1cc2c(cc1C[N@@H+]1CCO[C@H](c3ccc(F)cc3)C1)OCO2 ZINC000029894366 202191199 /nfs/dbraw/zinc/19/11/99/202191199.db2.gz URLVYFOVSCPPDI-SFHVURJKSA-N 1 1 331.343 2.834 20 10 EFCDMO Oc1cc2c(cc1C[N@H+]1CCO[C@H](c3ccc(F)cc3)C1)OCO2 ZINC000029894366 202191201 /nfs/dbraw/zinc/19/12/01/202191201.db2.gz URLVYFOVSCPPDI-SFHVURJKSA-N 1 1 331.343 2.834 20 10 EFCDMO COCC[N@@H+](Cc1ccc(C)o1)Cc1cc(OC)c(OC)cc1O ZINC000180498335 239493813 /nfs/dbraw/zinc/49/38/13/239493813.db2.gz KETJAOPGHHMVLG-UHFFFAOYSA-N 1 1 335.400 2.959 20 10 EFCDMO C[C@@H]1CC[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)CCS1 ZINC000192169480 240028524 /nfs/dbraw/zinc/02/85/24/240028524.db2.gz MTYYCJXWWCLRSN-OAHLLOKOSA-N 1 1 335.517 2.538 20 10 EFCDMO C[C@H]1C[C@@H](NC(=O)Cc2ccc(N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000237531798 240244438 /nfs/dbraw/zinc/24/44/38/240244438.db2.gz UHUAYPXFHPSREA-JXFKEZNVSA-N 1 1 337.467 2.981 20 10 EFCDMO C[C@H]1C[C@H](NC(=O)Cc2ccc(N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000237563835 240246611 /nfs/dbraw/zinc/24/66/11/240246611.db2.gz UHUAYPXFHPSREA-OXJNMPFZSA-N 1 1 337.467 2.981 20 10 EFCDMO Oc1ccc(Br)cc1CN[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000263724826 240389535 /nfs/dbraw/zinc/38/95/35/240389535.db2.gz WXMSVDHVYPTOFA-UONOGXRCSA-N 1 1 325.250 2.871 20 10 EFCDMO Oc1ccc(Br)cc1CN[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000263724826 240389543 /nfs/dbraw/zinc/38/95/43/240389543.db2.gz WXMSVDHVYPTOFA-UONOGXRCSA-N 1 1 325.250 2.871 20 10 EFCDMO CCN(Cc1ccc(N(C)C)cc1)C(=O)CCCC[NH+]1CCOCC1 ZINC000263954101 240394234 /nfs/dbraw/zinc/39/42/34/240394234.db2.gz XVNWRTFDHCJPHM-UHFFFAOYSA-N 1 1 347.503 2.604 20 10 EFCDMO C[NH+](C)CCCOc1cnccc1CNCc1ccc2c(c1)CCO2 ZINC000288542286 241016613 /nfs/dbraw/zinc/01/66/13/241016613.db2.gz KZUAJPOXFFYZAI-UHFFFAOYSA-N 1 1 341.455 2.637 20 10 EFCDMO Cc1ccc(O)c(C[N@H+]2CCC[C@@H](CNC(=O)C(F)(F)F)C2)c1 ZINC000291624258 241027431 /nfs/dbraw/zinc/02/74/31/241027431.db2.gz RUUVGLOVZKAFHI-LBPRGKRZSA-N 1 1 330.350 2.591 20 10 EFCDMO CCCOc1ccc(C[NH+]2CC([C@@H](F)C(=O)OCC)C2)c(O)c1 ZINC000294021284 241030823 /nfs/dbraw/zinc/03/08/23/241030823.db2.gz UXCQMVVYUBINET-MRXNPFEDSA-N 1 1 325.380 2.514 20 10 EFCDMO C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3CCn4ccnc43)cc2F)C[C@@H](C)O1 ZINC000296170370 241077537 /nfs/dbraw/zinc/07/75/37/241077537.db2.gz XPNFZWBIMLTCJG-CKEIUWERSA-N 1 1 344.434 2.870 20 10 EFCDMO COc1c(O)c(C[NH2+]C[C@H](Cc2ccccc2)OC)ccc1[N+](=O)[O-] ZINC000294700636 241050786 /nfs/dbraw/zinc/05/07/86/241050786.db2.gz CZAKKCZNSDAPHP-HNNXBMFYSA-N 1 1 346.383 2.656 20 10 EFCDMO O=C(NCCC[N@H+]1CCc2ccccc2C1)NCc1ccccc1O ZINC000299491177 241179474 /nfs/dbraw/zinc/17/94/74/241179474.db2.gz JLGZZEPGJJZYCQ-UHFFFAOYSA-N 1 1 339.439 2.640 20 10 EFCDMO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC[C@@H]2c2ccncc2)cc1 ZINC000299731017 241183692 /nfs/dbraw/zinc/18/36/92/241183692.db2.gz XANWJWHIELLOTK-LJQANCHMSA-N 1 1 338.455 2.601 20 10 EFCDMO CN(C)c1ccc(CNC(=O)C[N@H+]2CCC[C@@H]2c2ccncc2)cc1 ZINC000299731017 241183696 /nfs/dbraw/zinc/18/36/96/241183696.db2.gz XANWJWHIELLOTK-LJQANCHMSA-N 1 1 338.455 2.601 20 10 EFCDMO COc1cc(Cl)cc(C[N@@H+]2C[C@@H](C)O[C@@]3(CCCOC3)C2)c1O ZINC000366494675 242354965 /nfs/dbraw/zinc/35/49/65/242354965.db2.gz ZNCGICJWTQVNEZ-PXAZEXFGSA-N 1 1 341.835 2.824 20 10 EFCDMO COc1cc(Cl)cc(C[N@H+]2C[C@@H](C)O[C@@]3(CCCOC3)C2)c1O ZINC000366494675 242354968 /nfs/dbraw/zinc/35/49/68/242354968.db2.gz ZNCGICJWTQVNEZ-PXAZEXFGSA-N 1 1 341.835 2.824 20 10 EFCDMO C[C@H](N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000364452033 242298982 /nfs/dbraw/zinc/29/89/82/242298982.db2.gz WBCRJDMCGQRUEN-JQHSSLGASA-N 1 1 347.478 2.940 20 10 EFCDMO C[C@H](N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000364452033 242298990 /nfs/dbraw/zinc/29/89/90/242298990.db2.gz WBCRJDMCGQRUEN-JQHSSLGASA-N 1 1 347.478 2.940 20 10 EFCDMO CN(C)c1ccc(CN(C)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000047106241 544447292 /nfs/dbraw/zinc/44/72/92/544447292.db2.gz CVDJLDQFOJZEOX-QZTJIDSGSA-N 1 1 330.476 2.521 20 10 EFCDMO C[NH+]1CCC(N2CCC([NH2+]Cc3c([O-])cccc3Cl)CC2)CC1 ZINC000113331408 544569922 /nfs/dbraw/zinc/56/99/22/544569922.db2.gz SAVQNWIEQNHDNH-UHFFFAOYSA-N 1 1 337.895 2.694 20 10 EFCDMO CN(C)c1ccc(C[NH2+][C@H](CS(C)(=O)=O)c2ccccc2)cc1 ZINC000154972995 276884021 /nfs/dbraw/zinc/88/40/21/276884021.db2.gz AZFKGVVUYXRPJW-GOSISDBHSA-N 1 1 332.469 2.628 20 10 EFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CSCCS2)c1 ZINC000273591911 277435496 /nfs/dbraw/zinc/43/54/96/277435496.db2.gz PMBYZADBPPHRMF-CMPLNLGQSA-N 1 1 327.471 2.678 20 10 EFCDMO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)c1ncnn1C ZINC000280513932 278357510 /nfs/dbraw/zinc/35/75/10/278357510.db2.gz HDFLQQVEBRWJQY-SNVBAGLBSA-N 1 1 327.354 2.751 20 10 EFCDMO Cc1cc(Br)cc(C[N@@H+]2CCCC3(C2)OCCO3)c1O ZINC000095468635 473210306 /nfs/dbraw/zinc/21/03/06/473210306.db2.gz ZKSXABUUPZIKJD-UHFFFAOYSA-N 1 1 342.233 2.802 20 10 EFCDMO Cc1cc(Br)cc(C[N@H+]2CCCC3(C2)OCCO3)c1O ZINC000095468635 473210309 /nfs/dbraw/zinc/21/03/09/473210309.db2.gz ZKSXABUUPZIKJD-UHFFFAOYSA-N 1 1 342.233 2.802 20 10 EFCDMO Cc1c2ccccc2n(C)c1CNc1cc[nH+]c(N2CCOCC2)n1 ZINC000530376424 467979618 /nfs/dbraw/zinc/97/96/18/467979618.db2.gz WGZAWYNQYZMMEB-UHFFFAOYSA-N 1 1 337.427 2.725 20 10 EFCDMO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCN(C)CC3)nc2)c(O)c1 ZINC000184968945 473286506 /nfs/dbraw/zinc/28/65/06/473286506.db2.gz TVGCQVQDDLDFDT-MRXNPFEDSA-N 1 1 340.471 2.698 20 10 EFCDMO CC(C)[C@H](C[NH2+][C@@H](C)c1cc(Cl)ccc1O)N1CCN(C)CC1 ZINC000184976961 473289212 /nfs/dbraw/zinc/28/92/12/473289212.db2.gz MSDMICLADWHTOF-YOEHRIQHSA-N 1 1 339.911 2.968 20 10 EFCDMO C[C@H]([NH2+]C[C@@H](O)CN1CCc2ccccc2C1)c1ccc(F)cc1O ZINC000184992024 473295596 /nfs/dbraw/zinc/29/55/96/473295596.db2.gz SWAMYWXKIVFRQM-KBXCAEBGSA-N 1 1 344.430 2.601 20 10 EFCDMO C[C@H]([NH2+]CCCNC(=O)c1cccc(O)c1)c1ccc(F)cc1O ZINC000185303634 473390342 /nfs/dbraw/zinc/39/03/42/473390342.db2.gz COHVTCRXBKIYOP-LBPRGKRZSA-N 1 1 332.375 2.708 20 10 EFCDMO Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000349606753 475977736 /nfs/dbraw/zinc/97/77/36/475977736.db2.gz BPIGDOKDWJFFDN-CXAGYDPISA-N 1 1 340.471 2.769 20 10 EFCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+](C(C)C)C1CCCC1)cc2=O ZINC000068449330 472192420 /nfs/dbraw/zinc/19/24/20/472192420.db2.gz ZGNOAGRFWHDZMD-UHFFFAOYSA-N 1 1 346.431 2.765 20 10 EFCDMO CC[N@@H+](CC(=O)NCC1CC1)Cc1cc(Br)ccc1O ZINC000076118527 472276799 /nfs/dbraw/zinc/27/67/99/472276799.db2.gz LILYVXHOZIPFNY-UHFFFAOYSA-N 1 1 341.249 2.503 20 10 EFCDMO C[N@@H+](Cc1ccccc1O)[C@H]1CCN(c2c(F)cccc2F)C1=O ZINC000088511011 472369389 /nfs/dbraw/zinc/36/93/89/472369389.db2.gz DBWYHZSAHFRXGF-HNNXBMFYSA-N 1 1 332.350 2.908 20 10 EFCDMO CCCCCNC(=O)C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000096971095 472402606 /nfs/dbraw/zinc/40/26/06/472402606.db2.gz VCCRLRDEHXATIW-KRWDZBQOSA-N 1 1 334.460 2.680 20 10 EFCDMO CCCCCNC(=O)C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000096971095 472402614 /nfs/dbraw/zinc/40/26/14/472402614.db2.gz VCCRLRDEHXATIW-KRWDZBQOSA-N 1 1 334.460 2.680 20 10 EFCDMO CCN(C)c1ccc([C@@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)cc1 ZINC000128281621 472428300 /nfs/dbraw/zinc/42/83/00/472428300.db2.gz YAOZGIOZSDUPBF-GOSISDBHSA-N 1 1 332.536 2.821 20 10 EFCDMO COc1cccc(C[N@H+]2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c1O ZINC000128463922 472455126 /nfs/dbraw/zinc/45/51/26/472455126.db2.gz KTKDLOBIGLLJIC-CQSZACIVSA-N 1 1 336.432 2.842 20 10 EFCDMO C[C@H](CN1CCN(C)CC1)[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000154885274 472483723 /nfs/dbraw/zinc/48/37/23/472483723.db2.gz PSRXLAYUXQADLY-MOPGFXCFSA-N 1 1 344.547 2.963 20 10 EFCDMO COc1cccc(C[N@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1O ZINC000154899953 472484355 /nfs/dbraw/zinc/48/43/55/472484355.db2.gz HZKWWHSZDZCXDE-CQSZACIVSA-N 1 1 336.432 2.890 20 10 EFCDMO C[C@H]1SCC[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)[C@H]1C ZINC000118533870 472497465 /nfs/dbraw/zinc/49/74/65/472497465.db2.gz RUVCCAXCIAVGAT-LSDHHAIUSA-N 1 1 335.517 2.537 20 10 EFCDMO Cc1sc2[nH]c(C[N@@H+](C)Cc3ccccc3O)nc(=O)c2c1C ZINC000089912288 472543948 /nfs/dbraw/zinc/54/39/48/472543948.db2.gz BXSHYAJCABXMQZ-UHFFFAOYSA-N 1 1 329.425 2.939 20 10 EFCDMO Cc1sc2[nH]c(C[N@H+](C)Cc3ccccc3O)nc(=O)c2c1C ZINC000089912288 472543954 /nfs/dbraw/zinc/54/39/54/472543954.db2.gz BXSHYAJCABXMQZ-UHFFFAOYSA-N 1 1 329.425 2.939 20 10 EFCDMO CCOc1ccc(O)c(C[N@H+]2CCCN(CC(F)(F)F)CC2)c1 ZINC000129491963 472548527 /nfs/dbraw/zinc/54/85/27/472548527.db2.gz TWYZMTOVPMAJNJ-UHFFFAOYSA-N 1 1 332.366 2.861 20 10 EFCDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NCCCSc1nccs1 ZINC000089937321 472552467 /nfs/dbraw/zinc/55/24/67/472552467.db2.gz ZFGPSMCPEBWNGJ-STQMWFEESA-N 1 1 342.534 2.607 20 10 EFCDMO Cc1ccc(C[N@@H+](C)CC(=O)NCc2ccc(N(C)C)cc2)s1 ZINC000102774059 472593171 /nfs/dbraw/zinc/59/31/71/472593171.db2.gz GZCCVWNJNCSNBL-UHFFFAOYSA-N 1 1 331.485 2.871 20 10 EFCDMO Cc1ccc(C[N@H+](C)CC(=O)NCc2ccc(N(C)C)cc2)s1 ZINC000102774059 472593177 /nfs/dbraw/zinc/59/31/77/472593177.db2.gz GZCCVWNJNCSNBL-UHFFFAOYSA-N 1 1 331.485 2.871 20 10 EFCDMO COc1cccc(CNC(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)c1O ZINC000130693288 472623643 /nfs/dbraw/zinc/62/36/43/472623643.db2.gz BHKNAGLQZKXLJT-HNNXBMFYSA-N 1 1 349.475 2.568 20 10 EFCDMO CC[N@@H+]1CCC[C@H]1CN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000156559832 472724756 /nfs/dbraw/zinc/72/47/56/472724756.db2.gz GPVFUDSWQMZUIR-RDJZCZTQSA-N 1 1 335.467 2.797 20 10 EFCDMO CC[N@H+]1CCC[C@H]1CN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000156559832 472724759 /nfs/dbraw/zinc/72/47/59/472724759.db2.gz GPVFUDSWQMZUIR-RDJZCZTQSA-N 1 1 335.467 2.797 20 10 EFCDMO O=S1(=O)CC[C@@H]([N@H+](Cc2ccc(N3CCCCC3)cc2)C2CC2)C1 ZINC000157002052 472775610 /nfs/dbraw/zinc/77/56/10/472775610.db2.gz QDBJBZUSNLGMMY-LJQANCHMSA-N 1 1 348.512 2.828 20 10 EFCDMO O=S1(=O)CC[C@@H]([N@@H+](Cc2ccc(N3CCCCC3)cc2)C2CC2)C1 ZINC000157002052 472775617 /nfs/dbraw/zinc/77/56/17/472775617.db2.gz QDBJBZUSNLGMMY-LJQANCHMSA-N 1 1 348.512 2.828 20 10 EFCDMO Cc1cc(O)c(C[NH+]2CCN(C(=O)c3ccccc3O)CC2)cc1C ZINC000091923664 472827740 /nfs/dbraw/zinc/82/77/40/472827740.db2.gz GHVCQXKJRAGVGA-UHFFFAOYSA-N 1 1 340.423 2.673 20 10 EFCDMO COc1cc(C[N@H+](C)Cc2ccccc2O)c([N+](=O)[O-])cc1OC ZINC000091956787 472832352 /nfs/dbraw/zinc/83/23/52/472832352.db2.gz YCVANBFIUKTJCF-UHFFFAOYSA-N 1 1 332.356 2.950 20 10 EFCDMO COc1cc(C[N@@H+](C)Cc2ccccc2O)c([N+](=O)[O-])cc1OC ZINC000091956787 472832356 /nfs/dbraw/zinc/83/23/56/472832356.db2.gz YCVANBFIUKTJCF-UHFFFAOYSA-N 1 1 332.356 2.950 20 10 EFCDMO CC[N@H+](Cc1cc(Br)ccc1O)C[C@@H](O)C(F)(F)F ZINC000121399704 472846362 /nfs/dbraw/zinc/84/63/62/472846362.db2.gz DSTWITQNJTYJNL-LLVKDONJSA-N 1 1 342.155 2.900 20 10 EFCDMO CCCOc1ccc(C[N@H+]2CCC[C@@H](Cn3ccnn3)C2)c(O)c1 ZINC000092070605 472849883 /nfs/dbraw/zinc/84/98/83/472849883.db2.gz VQBUNXNCAHKFOK-OAHLLOKOSA-N 1 1 330.432 2.685 20 10 EFCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@@H](N3CCNC3=O)C2)cc1F ZINC000092188638 472871725 /nfs/dbraw/zinc/87/17/25/472871725.db2.gz WSQZNNRUNYMEQB-MRXNPFEDSA-N 1 1 348.466 2.662 20 10 EFCDMO Cc1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)no1 ZINC000158082522 472890856 /nfs/dbraw/zinc/89/08/56/472890856.db2.gz OIBURHIEJAYWJK-CQSZACIVSA-N 1 1 349.818 2.736 20 10 EFCDMO Cc1cc(C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)no1 ZINC000158082522 472890862 /nfs/dbraw/zinc/89/08/62/472890862.db2.gz OIBURHIEJAYWJK-CQSZACIVSA-N 1 1 349.818 2.736 20 10 EFCDMO COc1ccc(N2CCC[N@@H+](Cc3cc(C(N)=O)cs3)CC2)cc1 ZINC000092380841 472904181 /nfs/dbraw/zinc/90/41/81/472904181.db2.gz BWARXFJENMFGLD-UHFFFAOYSA-N 1 1 345.468 2.568 20 10 EFCDMO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC000092585296 472941075 /nfs/dbraw/zinc/94/10/75/472941075.db2.gz YJVYIPZRDLAFPF-CQSZACIVSA-N 1 1 347.484 2.593 20 10 EFCDMO c1c[nH]c([C@@H]2CCCC[N@H+]2Cc2ccc(N3CCOCC3)cc2)n1 ZINC000092729039 472972860 /nfs/dbraw/zinc/97/28/60/472972860.db2.gz GIGRESZBXOCDKO-SFHVURJKSA-N 1 1 326.444 2.974 20 10 EFCDMO c1c[nH]c([C@@H]2CCCC[N@@H+]2Cc2ccc(N3CCOCC3)cc2)n1 ZINC000092729039 472972867 /nfs/dbraw/zinc/97/28/67/472972867.db2.gz GIGRESZBXOCDKO-SFHVURJKSA-N 1 1 326.444 2.974 20 10 EFCDMO Cc1cc(O)c(C[N@H+]2CCC[C@H](c3nnc4n3CCC4)C2)cc1C ZINC000093134061 473049564 /nfs/dbraw/zinc/04/95/64/473049564.db2.gz KYSCTSNEJWBBHF-HNNXBMFYSA-N 1 1 326.444 2.926 20 10 EFCDMO COc1ccc(OC)c(C[N@@H+](CCO)Cc2cc(C)ccc2O)c1 ZINC000093361552 473095611 /nfs/dbraw/zinc/09/56/11/473095611.db2.gz ICTJIZCCUASODT-UHFFFAOYSA-N 1 1 331.412 2.712 20 10 EFCDMO CC[N@H+](Cc1ccc(N2CCCCC2)cc1)[C@@H](C)CS(C)(=O)=O ZINC000093390115 473099993 /nfs/dbraw/zinc/09/99/93/473099993.db2.gz IWULMFDWNJCOCN-INIZCTEOSA-N 1 1 338.517 2.932 20 10 EFCDMO CC[N@@H+](Cc1ccc(N2CCCCC2)cc1)[C@@H](C)CS(C)(=O)=O ZINC000093390115 473099998 /nfs/dbraw/zinc/09/99/98/473099998.db2.gz IWULMFDWNJCOCN-INIZCTEOSA-N 1 1 338.517 2.932 20 10 EFCDMO CCN(CC)c1ccc(C[N@H+](C)[C@H](C)[C@@H](C)S(C)(=O)=O)cc1 ZINC000093422005 473108048 /nfs/dbraw/zinc/10/80/48/473108048.db2.gz NFIPGSWVHQRSNN-HUUCEWRRSA-N 1 1 326.506 2.786 20 10 EFCDMO CCN(CC)c1ccc(C[N@@H+](C)[C@H](C)[C@@H](C)S(C)(=O)=O)cc1 ZINC000093422005 473108055 /nfs/dbraw/zinc/10/80/55/473108055.db2.gz NFIPGSWVHQRSNN-HUUCEWRRSA-N 1 1 326.506 2.786 20 10 EFCDMO COc1ccc(N2CCC[N@H+]([C@H](C)C(=O)NC(C)(C)C)CC2)cc1 ZINC000052466387 473109700 /nfs/dbraw/zinc/10/97/00/473109700.db2.gz FSQAFZWQKLOLDE-OAHLLOKOSA-N 1 1 333.476 2.511 20 10 EFCDMO CC[C@@H](C)NC(=O)[C@H](C)[N@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000052466705 473110045 /nfs/dbraw/zinc/11/00/45/473110045.db2.gz PGZHNOOMKPZYLX-CVEARBPZSA-N 1 1 333.476 2.511 20 10 EFCDMO COc1cc(O)c(C[N@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)cc1OC ZINC000160404990 473119022 /nfs/dbraw/zinc/11/90/22/473119022.db2.gz YKMGAMGEDFMODZ-HIFRSBDPSA-N 1 1 331.416 2.689 20 10 EFCDMO CCOc1cccc(C[NH+]2CCN([C@H](C)C(F)(F)F)CC2)c1O ZINC000093882993 473157489 /nfs/dbraw/zinc/15/74/89/473157489.db2.gz MTBPRXYJXIPFKH-GFCCVEGCSA-N 1 1 332.366 2.859 20 10 EFCDMO Cc1cc2ncn(C[C@H](O)C[N@H+](C)Cc3ccccc3O)c2cc1C ZINC000111235766 473197746 /nfs/dbraw/zinc/19/77/46/473197746.db2.gz ZVRXYZAMKCMRTN-QGZVFWFLSA-N 1 1 339.439 2.852 20 10 EFCDMO C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@@H+](C)Cc1ccccc1O ZINC000111235637 473197841 /nfs/dbraw/zinc/19/78/41/473197841.db2.gz VJPQWCXKQHAQJE-RHSMWYFYSA-N 1 1 340.423 2.853 20 10 EFCDMO CN(CCOc1ccccc1F)C(=O)C[N@@H+](C)Cc1ccccc1O ZINC000111236369 473197955 /nfs/dbraw/zinc/19/79/55/473197955.db2.gz WKHDGVJLXMJIOA-UHFFFAOYSA-N 1 1 346.402 2.501 20 10 EFCDMO C[N@H+](Cc1ccccc1O)[C@@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000111234980 473198019 /nfs/dbraw/zinc/19/80/19/473198019.db2.gz BYEAWEMURWFBSM-GOSISDBHSA-N 1 1 328.387 2.983 20 10 EFCDMO 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COEUCAFDTLJJDW-VUCTXSBTSA-N 1 1 348.399 2.746 20 10 EFCDMO OC[C@H](C1CC1)[N@@H+](Cc1ccccc1)Cc1cc2c(cc1O)OCO2 ZINC000184786583 474607999 /nfs/dbraw/zinc/60/79/99/474607999.db2.gz SRDKTWSCNOERAI-QGZVFWFLSA-N 1 1 341.407 2.894 20 10 EFCDMO CCN(CC)c1ccc(CNC(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)cc1 ZINC000272440342 474611665 /nfs/dbraw/zinc/61/16/65/474611665.db2.gz KZCFLXMQZNTXBH-IEBWSBKVSA-N 1 1 344.503 2.768 20 10 EFCDMO C[C@@H](NC(=O)NCc1ccc(N2CCCC2)cc1)C1=CC[N@@H+](C)CC1 ZINC000272689898 474623111 /nfs/dbraw/zinc/62/31/11/474623111.db2.gz CGKNMEQZUVFEON-MRXNPFEDSA-N 1 1 342.487 2.736 20 10 EFCDMO C[C@@H](NC(=O)NCc1ccc2c(c1)CCCN2C)C1=CC[N@@H+](C)CC1 ZINC000272748739 474624673 /nfs/dbraw/zinc/62/46/73/474624673.db2.gz NFBJHBDJPBPOPF-OAHLLOKOSA-N 1 1 342.487 2.519 20 10 EFCDMO Cn1ncc(Cl)c1C[NH2+]Cc1cccc(Br)c1O ZINC000278393818 474632361 /nfs/dbraw/zinc/63/23/61/474632361.db2.gz NBSNPQSIROVAAL-UHFFFAOYSA-N 1 1 330.613 2.831 20 10 EFCDMO C[C@H](NC(=O)N(C)Cc1ccc(N(C)C)cc1)C1=CC[N@@H+](C)CC1 ZINC000272909092 474638624 /nfs/dbraw/zinc/63/86/24/474638624.db2.gz JJADULAQPBEMBB-HNNXBMFYSA-N 1 1 330.476 2.544 20 10 EFCDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000267313109 474646372 /nfs/dbraw/zinc/64/63/72/474646372.db2.gz MZUOTONNJBKVCI-KRWDZBQOSA-N 1 1 344.503 2.552 20 10 EFCDMO COc1c(O)c(C[NH2+]CCc2ccc3c(c2)CCO3)ccc1[N+](=O)[O-] ZINC000278471465 474653390 /nfs/dbraw/zinc/65/33/90/474653390.db2.gz HHWKZGBAUQLINK-UHFFFAOYSA-N 1 1 344.367 2.576 20 10 EFCDMO COC(=O)C[N@H+](CCC1CCOCC1)Cc1cc(Cl)ccc1O ZINC000292849662 474674689 /nfs/dbraw/zinc/67/46/89/474674689.db2.gz FXJCVPGQRGFIFA-UHFFFAOYSA-N 1 1 341.835 2.837 20 10 EFCDMO COC(=O)C[N@@H+](CCC1CCOCC1)Cc1cc(Cl)ccc1O ZINC000292849662 474674694 /nfs/dbraw/zinc/67/46/94/474674694.db2.gz FXJCVPGQRGFIFA-UHFFFAOYSA-N 1 1 341.835 2.837 20 10 EFCDMO Cc1ccc(O)c(C[N@H+]2CCC[C@@H](NC(=O)C(F)(F)F)[C@H]2C)c1 ZINC000292865406 474682475 /nfs/dbraw/zinc/68/24/75/474682475.db2.gz VUCQNVQOZPKLAX-DGCLKSJQSA-N 1 1 330.350 2.732 20 10 EFCDMO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H](NC(=O)C(F)(F)F)[C@H]2C)c1 ZINC000292865406 474682479 /nfs/dbraw/zinc/68/24/79/474682479.db2.gz VUCQNVQOZPKLAX-DGCLKSJQSA-N 1 1 330.350 2.732 20 10 EFCDMO COc1c(O)c(C[NH2+][C@@H]2CCOC3(CCCC3)C2)ccc1[N+](=O)[O-] ZINC000278537303 474687788 /nfs/dbraw/zinc/68/77/88/474687788.db2.gz WJKGSBOONPIVKA-CYBMUJFWSA-N 1 1 336.388 2.890 20 10 EFCDMO COc1c(O)c(C[NH2+][C@@H]2CCO[C@H](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000278539816 474690181 /nfs/dbraw/zinc/69/01/81/474690181.db2.gz WYNPRGIIBAYVAR-OCCSQVGLSA-N 1 1 338.404 2.992 20 10 EFCDMO CCN(CC)c1ccc(C[NH+]2CCC(CS(C)(=O)=O)CC2)cc1 ZINC000292881729 474692479 /nfs/dbraw/zinc/69/24/79/474692479.db2.gz XUWKVCATXXZDLK-UHFFFAOYSA-N 1 1 338.517 2.789 20 10 EFCDMO CS(=O)(=O)C[C@@H]1CC[N@@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000292885793 474696936 /nfs/dbraw/zinc/69/69/36/474696936.db2.gz YHRUBHFJKLMYGM-OAHLLOKOSA-N 1 1 345.464 2.926 20 10 EFCDMO NC(=O)c1ccc(C[N@H+](Cc2cc(F)ccc2O)C2CC2)c(F)c1 ZINC000292892472 474700204 /nfs/dbraw/zinc/70/02/04/474700204.db2.gz ZEZPHPDDTVOLMJ-UHFFFAOYSA-N 1 1 332.350 2.934 20 10 EFCDMO NC(=O)c1ccc(C[N@@H+](Cc2cc(F)ccc2O)C2CC2)c(F)c1 ZINC000292892472 474700212 /nfs/dbraw/zinc/70/02/12/474700212.db2.gz ZEZPHPDDTVOLMJ-UHFFFAOYSA-N 1 1 332.350 2.934 20 10 EFCDMO COc1c(O)c(C[NH2+][C@@H](C)Cc2ccc(O)cc2)ccc1[N+](=O)[O-] ZINC000278568428 474709437 /nfs/dbraw/zinc/70/94/37/474709437.db2.gz CMDPUQFFRVMFHX-NSHDSACASA-N 1 1 332.356 2.735 20 10 EFCDMO COc1c(O)c(C[NH2+][C@@H](C)CN2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000278609190 474733825 /nfs/dbraw/zinc/73/38/25/474733825.db2.gz DQPSKZXENGQIIZ-OLZOCXBDSA-N 1 1 337.420 2.519 20 10 EFCDMO CCN(CC)c1ccc(C[N@@H+]2CCCC[C@@H](S(C)(=O)=O)C2)cc1 ZINC000278610632 474733921 /nfs/dbraw/zinc/73/39/21/474733921.db2.gz GLDQMZVHRHVRKP-GOSISDBHSA-N 1 1 338.517 2.932 20 10 EFCDMO CCN(CC)c1ccc(C[N@H+]2CCCC[C@@H](S(C)(=O)=O)C2)cc1 ZINC000278610632 474733927 /nfs/dbraw/zinc/73/39/27/474733927.db2.gz GLDQMZVHRHVRKP-GOSISDBHSA-N 1 1 338.517 2.932 20 10 EFCDMO CCN(CC)c1ccc(C[N@@H+]2CCCC[C@H](S(C)(=O)=O)C2)cc1 ZINC000278610636 474735281 /nfs/dbraw/zinc/73/52/81/474735281.db2.gz GLDQMZVHRHVRKP-SFHVURJKSA-N 1 1 338.517 2.932 20 10 EFCDMO CCN(CC)c1ccc(C[N@H+]2CCCC[C@H](S(C)(=O)=O)C2)cc1 ZINC000278610636 474735290 /nfs/dbraw/zinc/73/52/90/474735290.db2.gz GLDQMZVHRHVRKP-SFHVURJKSA-N 1 1 338.517 2.932 20 10 EFCDMO COc1c(O)c(C[NH2+]CCOc2ccc(C)cc2)ccc1[N+](=O)[O-] ZINC000278619296 474739028 /nfs/dbraw/zinc/73/90/28/474739028.db2.gz FPBWGNIOUBNVMM-UHFFFAOYSA-N 1 1 332.356 2.786 20 10 EFCDMO COCc1ccccc1C[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278627522 474743484 /nfs/dbraw/zinc/74/34/84/474743484.db2.gz GNSOGUQXHVXBJO-UHFFFAOYSA-N 1 1 332.356 2.745 20 10 EFCDMO C[C@@H]([NH2+]C[C@H]1CN(C)CCN1C)c1cc(Cl)c(Cl)cc1O ZINC000278644130 474752797 /nfs/dbraw/zinc/75/27/97/474752797.db2.gz HSRSZGGSFNISMY-MNOVXSKESA-N 1 1 332.275 2.595 20 10 EFCDMO Cc1ccc(C(=O)N2CCC(Oc3cc[nH+]cc3C)CC2)c(O)c1O ZINC000278712974 474789923 /nfs/dbraw/zinc/78/99/23/474789923.db2.gz QXOZCTANCHKDJY-UHFFFAOYSA-N 1 1 342.395 2.793 20 10 EFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@H](O)c2ccc(C)cc2)c1 ZINC000273362715 474859972 /nfs/dbraw/zinc/85/99/72/474859972.db2.gz DHNIMEHDFQYWOC-UGSOOPFHSA-N 1 1 329.396 2.871 20 10 EFCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCCNc2ccccn2)c1 ZINC000273370064 474862771 /nfs/dbraw/zinc/86/27/71/474862771.db2.gz CGDFDPPTZHIGNF-CYBMUJFWSA-N 1 1 329.400 2.727 20 10 EFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCCNc2ccccn2)c1 ZINC000273370065 474862940 /nfs/dbraw/zinc/86/29/40/474862940.db2.gz CGDFDPPTZHIGNF-ZDUSSCGKSA-N 1 1 329.400 2.727 20 10 EFCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@H](c2ccco2)N(C)C)c1 ZINC000273389028 474874832 /nfs/dbraw/zinc/87/48/32/474874832.db2.gz KGRIPUSPAVFMIJ-IUODEOHRSA-N 1 1 332.400 2.725 20 10 EFCDMO CCNC(=O)C[C@@H]1CCCC[N@H+]1Cc1cc(Cl)cc(OC)c1O ZINC000285065211 474880303 /nfs/dbraw/zinc/88/03/03/474880303.db2.gz LTFGWSRCAHYBCB-AWEZNQCLSA-N 1 1 340.851 2.935 20 10 EFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@H](O)c2cccc(F)c2)c1 ZINC000273414679 474887048 /nfs/dbraw/zinc/88/70/48/474887048.db2.gz QLXYAWBZHFRMHC-GTNSWQLSSA-N 1 1 333.359 2.702 20 10 EFCDMO COc1cc(O)c(C[N@@H+](C)CCCN(C)Cc2ccco2)cc1OC ZINC000285138065 474904325 /nfs/dbraw/zinc/90/43/25/474904325.db2.gz NVURTPOSRWYKHZ-UHFFFAOYSA-N 1 1 348.443 2.956 20 10 EFCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CC2(SC)CCOCC2)c1 ZINC000273455248 474907266 /nfs/dbraw/zinc/90/72/66/474907266.db2.gz HAMKGEGZVQDOSL-GFCCVEGCSA-N 1 1 339.457 2.742 20 10 EFCDMO COc1c(O)c(C[NH2+]C[C@H]2CCOc3ccccc32)ccc1[N+](=O)[O-] ZINC000278931203 474924369 /nfs/dbraw/zinc/92/43/69/474924369.db2.gz WHHWJQQZUSISNF-GFCCVEGCSA-N 1 1 344.367 2.965 20 10 EFCDMO COc1c(O)c(C[NH2+]Cc2ccc(OC(C)C)nc2)ccc1[N+](=O)[O-] ZINC000278941389 474931388 /nfs/dbraw/zinc/93/13/88/474931388.db2.gz XTSASYPNPSBATL-UHFFFAOYSA-N 1 1 347.371 2.781 20 10 EFCDMO Cc1cc(CN2CC[NH+](Cc3ccc(N(C)C)c(C)c3)CC2)no1 ZINC000293350093 474940601 /nfs/dbraw/zinc/94/06/01/474940601.db2.gz DOLVJKKPMUYWND-UHFFFAOYSA-N 1 1 328.460 2.675 20 10 EFCDMO CCCOc1ccc(C[N@H+]2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)c(O)c1 ZINC000279089089 474959730 /nfs/dbraw/zinc/95/97/30/474959730.db2.gz ABJRLGWCYXVWED-YZVOILCLSA-N 1 1 335.444 2.949 20 10 EFCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@](C)(O)c2cccs2)c1 ZINC000273588264 474977843 /nfs/dbraw/zinc/97/78/43/474977843.db2.gz OJRXIXXSFOWAIU-DIFFPNOSSA-N 1 1 335.425 2.799 20 10 EFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@H]2CSCCS2)c1 ZINC000273591912 474979098 /nfs/dbraw/zinc/97/90/98/474979098.db2.gz PMBYZADBPPHRMF-JQWIXIFHSA-N 1 1 327.471 2.678 20 10 EFCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2cn3c(cccc3C)n2)c1 ZINC000273605888 474987103 /nfs/dbraw/zinc/98/71/03/474987103.db2.gz UAGYZEFUWHDBSD-CYBMUJFWSA-N 1 1 339.395 2.986 20 10 EFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@](C)(O)c2ccccc2)c1 ZINC000273606743 474988377 /nfs/dbraw/zinc/98/83/77/474988377.db2.gz UJHUIWPQHJKGON-ORAYPTAESA-N 1 1 329.396 2.737 20 10 EFCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2cn3cc(C)ccc3n2)c1 ZINC000273610480 474988871 /nfs/dbraw/zinc/98/88/71/474988871.db2.gz VSJJDEXDEWWHRF-CYBMUJFWSA-N 1 1 339.395 2.986 20 10 EFCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCC(=O)N2CCCCCC2)c1 ZINC000273615870 474991221 /nfs/dbraw/zinc/99/12/21/474991221.db2.gz XKJCZPBCDBWGKM-CQSZACIVSA-N 1 1 348.443 2.622 20 10 EFCDMO CN(C)c1ccc(C[N@H+]2CCC[C@H](OCCO)C2)c(C(F)(F)F)c1 ZINC000280381292 475021972 /nfs/dbraw/zinc/02/19/72/475021972.db2.gz WDMLBSDZGYGXKT-HNNXBMFYSA-N 1 1 346.393 2.745 20 10 EFCDMO CC[C@@H]([NH2+]Cc1cccc(OCC(N)=O)c1)c1ccc(F)cc1O ZINC000285901856 475045778 /nfs/dbraw/zinc/04/57/78/475045778.db2.gz CUHVULUJRUIOPJ-MRXNPFEDSA-N 1 1 332.375 2.636 20 10 EFCDMO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000268834020 475045919 /nfs/dbraw/zinc/04/59/19/475045919.db2.gz LEPAYBDBLBRCQE-CLCXKQKWSA-N 1 1 349.494 2.605 20 10 EFCDMO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000268834020 475045931 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COC1CCN(c2ccc(C[N@H+]3CC[C@H](n4cccn4)C3)cc2)CC1 ZINC000294938563 475092939 /nfs/dbraw/zinc/09/29/39/475092939.db2.gz AFHFJURNKXXXSH-IBGZPJMESA-N 1 1 340.471 2.945 20 10 EFCDMO C[C@H](NC(=O)c1c(F)ccc(O)c1O)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000295695588 475131175 /nfs/dbraw/zinc/13/11/75/475131175.db2.gz PCJMFGUBOJYYAI-NWDGAFQWSA-N 1 1 336.407 2.620 20 10 EFCDMO COc1c(O)c(C[N@@H+]2CCOC[C@@H](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000292701285 475158026 /nfs/dbraw/zinc/15/80/26/475158026.db2.gz CJEWPMGCMJUSEY-AWEZNQCLSA-N 1 1 336.388 2.558 20 10 EFCDMO COc1c(O)c(C[N@H+]2CCOC[C@@H](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000292701285 475158029 /nfs/dbraw/zinc/15/80/29/475158029.db2.gz CJEWPMGCMJUSEY-AWEZNQCLSA-N 1 1 336.388 2.558 20 10 EFCDMO CN(Cc1n[nH]c(C(C)(C)C)n1)Cc1ccc(N2CCOCC2)cc1 ZINC000292747206 475181518 /nfs/dbraw/zinc/18/15/18/475181518.db2.gz WLQJNMLEFHNYSD-UHFFFAOYSA-N 1 1 343.475 2.571 20 10 EFCDMO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H](N3CCCCC3=O)C2)c1O ZINC000361366002 475388944 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Cc1ccc(C[N@H+]2CCC[C@@]23CCN(CC(F)(F)F)C3=O)c(O)c1 ZINC001272767028 1257724687 /nfs/dbraw/zinc/72/46/87/1257724687.db2.gz WOHOOYYPIYVQHE-INIZCTEOSA-N 1 1 342.361 2.830 20 10 EFCDMO COc1ccc(C[N@H+]2CCc3cccc(O)c3C2)c(OC)c1OC ZINC001203465916 1261272720 /nfs/dbraw/zinc/27/27/20/1261272720.db2.gz AEJWZQNNVWMORQ-UHFFFAOYSA-N 1 1 329.396 2.976 20 10 EFCDMO CC[C@@H](C)N1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ccc(O)c(O)c1 ZINC001272902567 1261293769 /nfs/dbraw/zinc/29/37/69/1261293769.db2.gz FCLXAKMMISZPED-AUUYWEPGSA-N 1 1 332.444 2.853 20 10 EFCDMO CCCCN1CC[C@]2(CC[N@@H+](Cc3ccc(N(C)C)cc3)C2)C1=O ZINC001272916452 1261326476 /nfs/dbraw/zinc/32/64/76/1261326476.db2.gz IJMZFXJOGMJLIJ-FQEVSTJZSA-N 1 1 329.488 2.977 20 10 EFCDMO Cc1cccc(NCCNC(=O)N[C@H](C)c2ccc(N(C)C)cc2)[nH+]1 ZINC000922054411 1264227426 /nfs/dbraw/zinc/22/74/26/1264227426.db2.gz KTKACPXITYEELI-OAHLLOKOSA-N 1 1 341.459 2.928 20 10 EFCDMO COCC[N@H+]1CC[C@H](NC(=O)c2sccc2-n2c(C)ccc2C)C1 ZINC000730785445 1264441973 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CCN(CC)c1ccc(C[N@H+]2CCCC[C@@H]2CS(C)(=O)=O)cc1 ZINC000824913618 1278340542 /nfs/dbraw/zinc/34/05/42/1278340542.db2.gz CNIJYZDLXKRRCP-GOSISDBHSA-N 1 1 338.517 2.932 20 10 EFCDMO COc1c(O)c(C[N@@H+](C)[C@H]2C[C@@H](OC)C23CCC3)ccc1[N+](=O)[O-] ZINC000825104431 1278399094 /nfs/dbraw/zinc/39/90/94/1278399094.db2.gz WWOZWAMWDDLYHY-UONOGXRCSA-N 1 1 336.388 2.698 20 10 EFCDMO COc1c(O)c(C[N@H+](C)[C@H]2C[C@@H](OC)C23CCC3)ccc1[N+](=O)[O-] ZINC000825104431 1278399099 /nfs/dbraw/zinc/39/90/99/1278399099.db2.gz WWOZWAMWDDLYHY-UONOGXRCSA-N 1 1 336.388 2.698 20 10 EFCDMO Cc1cc(O)c(C[NH2+]C[C@H](C(C)C)N2CCN(C)CC2)cc1Cl ZINC000825097736 1278409749 /nfs/dbraw/zinc/40/97/49/1278409749.db2.gz XZXXRDSTWSHIOU-QGZVFWFLSA-N 1 1 339.911 2.716 20 10 EFCDMO CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(Br)cc2[O-])C1 ZINC000825167484 1278432274 /nfs/dbraw/zinc/43/22/74/1278432274.db2.gz MXERMKAWCLWIAG-GFCCVEGCSA-N 1 1 327.266 2.976 20 10 EFCDMO CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(Br)cc2[O-])C1 ZINC000825167484 1278432295 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EFCDMO CC(C)[N@H+]1CC[C@H](N(C)Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000825332413 1278509635 /nfs/dbraw/zinc/50/96/35/1278509635.db2.gz WMBPFOLLYVCQMV-KRWDZBQOSA-N 1 1 335.467 2.577 20 10 EFCDMO CN(C(=O)c1ccc(N=NC(N)=O)cc1)[C@@H]1CC[N@@H+](CCC2CC2)C1 ZINC001033700078 1269867003 /nfs/dbraw/zinc/86/70/03/1269867003.db2.gz ULDWWVWYNQXBMU-MRXNPFEDSA-N 1 1 343.431 2.795 20 10 EFCDMO CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(Br)cc2[O-])C1 ZINC000701073955 1269868776 /nfs/dbraw/zinc/86/87/76/1269868776.db2.gz GJALGVRLRQPOIH-GFCCVEGCSA-N 1 1 327.266 2.975 20 10 EFCDMO CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccc(Br)cc2[O-])C1 ZINC000701073955 1269868786 /nfs/dbraw/zinc/86/87/86/1269868786.db2.gz GJALGVRLRQPOIH-GFCCVEGCSA-N 1 1 327.266 2.975 20 10 EFCDMO C[C@@H]1C[C@H](O)C[N@@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000825312651 1278516205 /nfs/dbraw/zinc/51/62/05/1278516205.db2.gz WEZMMRQPXHZUFO-ZBFHGGJFSA-N 1 1 333.432 2.788 20 10 EFCDMO CC(C)=CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001033699028 1269906547 /nfs/dbraw/zinc/90/65/47/1269906547.db2.gz IQPMHGUYFDFRLY-INIZCTEOSA-N 1 1 343.431 2.962 20 10 EFCDMO CC/C=C\CC[NH+]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001113703595 1278551287 /nfs/dbraw/zinc/55/12/87/1278551287.db2.gz DHKYQILUHDSGHQ-XWQBDTFCSA-N 1 1 343.431 2.963 20 10 EFCDMO CC(C)[N@H+]1CC[C@H](CNC(=O)NCc2c(O)ccc3c2CCCC3)C1 ZINC000743130657 1270432724 /nfs/dbraw/zinc/43/27/24/1270432724.db2.gz RYMHKCKHTBNEQF-OAHLLOKOSA-N 1 1 345.487 2.801 20 10 EFCDMO CCCCC[N@@H+](CC(N)=O)Cc1ccc(Br)cc1O ZINC000825468979 1278559051 /nfs/dbraw/zinc/55/90/51/1278559051.db2.gz RHVFZJQSQYSNIV-UHFFFAOYSA-N 1 1 329.238 2.632 20 10 EFCDMO CCC(C)(C)CC(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000744482213 1271063808 /nfs/dbraw/zinc/06/38/08/1271063808.db2.gz MQOGUWZMCQZCSH-UHFFFAOYSA-N 1 1 347.503 2.760 20 10 EFCDMO Cc1cc(C(=O)NCC[N@@H+]2CC[C@H](C)C2)c(C)n1-c1ccccn1 ZINC000744799804 1271188507 /nfs/dbraw/zinc/18/85/07/1271188507.db2.gz RIWPFGPKPYFYKR-AWEZNQCLSA-N 1 1 326.444 2.561 20 10 EFCDMO Cc1cc(C(=O)NCC[N@@H+]2CC[C@@H](C)C2)c(C)n1-c1ccccn1 ZINC000744799805 1271188931 /nfs/dbraw/zinc/18/89/31/1271188931.db2.gz RIWPFGPKPYFYKR-CQSZACIVSA-N 1 1 326.444 2.561 20 10 EFCDMO COc1ccc(CNC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1C ZINC000702554625 1271479207 /nfs/dbraw/zinc/47/92/07/1271479207.db2.gz WVLBVKHMUXBZRE-NRFANRHFSA-N 1 1 340.467 2.730 20 10 EFCDMO COc1ccc(C[NH2+]C[C@@]2(O)CCN(Cc3ccccc3)C2)cc1C ZINC000702554625 1271479213 /nfs/dbraw/zinc/47/92/13/1271479213.db2.gz WVLBVKHMUXBZRE-NRFANRHFSA-N 1 1 340.467 2.730 20 10 EFCDMO CCN(CC)c1ccc(CNC(=O)NC[C@@H]2CCC[N@H+]2CC)cc1 ZINC000745656477 1271542771 /nfs/dbraw/zinc/54/27/71/1271542771.db2.gz WVQARESKZXBKLW-SFHVURJKSA-N 1 1 332.492 2.816 20 10 EFCDMO CCN(CC)c1ccc(CNC(=O)NC[C@H]2CCC[N@H+]2CC)cc1 ZINC000745656476 1271542813 /nfs/dbraw/zinc/54/28/13/1271542813.db2.gz WVQARESKZXBKLW-GOSISDBHSA-N 1 1 332.492 2.816 20 10 EFCDMO COc1cc(C(=O)N[C@@H]2CCCC[N@@H+](CC=C(C)C)C2)cc(OC)n1 ZINC001034287896 1271566958 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COc1ccc(N2CCC[N@@H+](Cc3cc4n(n3)CCCC4)CC2)cc1 ZINC000844280008 1278853137 /nfs/dbraw/zinc/85/31/37/1278853137.db2.gz QZLGJLUJHDPQSE-UHFFFAOYSA-N 1 1 340.471 2.940 20 10 EFCDMO CN(C)c1ccc(C[N@@H+]2Cc3ccccc3C[C@@H]2C(=O)NC2CC2)cc1 ZINC000844355802 1278926336 /nfs/dbraw/zinc/92/63/36/1278926336.db2.gz FFNYJVBCRVBSPD-OAQYLSRUSA-N 1 1 349.478 2.958 20 10 EFCDMO CN(C)c1ccc(C[N@H+]2Cc3ccccc3C[C@@H]2C(=O)NC2CC2)cc1 ZINC000844355802 1278926344 /nfs/dbraw/zinc/92/63/44/1278926344.db2.gz FFNYJVBCRVBSPD-OAQYLSRUSA-N 1 1 349.478 2.958 20 10 EFCDMO C[N@@H+](Cc1c([O-])cccc1Br)CC1CC[NH+](C)CC1 ZINC000707137334 1275337979 /nfs/dbraw/zinc/33/79/79/1275337979.db2.gz YXDFAJRVKWLQNP-UHFFFAOYSA-N 1 1 327.266 2.928 20 10 EFCDMO C[N@H+](Cc1c([O-])cccc1Br)CC1CC[NH+](C)CC1 ZINC000707137334 1275337990 /nfs/dbraw/zinc/33/79/90/1275337990.db2.gz YXDFAJRVKWLQNP-UHFFFAOYSA-N 1 1 327.266 2.928 20 10 EFCDMO COc1ccc(N(C)CC[N@H+](C)CC(=O)Nc2ccccc2)cc1 ZINC000844399429 1278948135 /nfs/dbraw/zinc/94/81/35/1278948135.db2.gz IUCGVNAFASRJIR-UHFFFAOYSA-N 1 1 327.428 2.702 20 10 EFCDMO COc1ccc(N(C)CC[N@@H+](C)CC(=O)Nc2ccccc2)cc1 ZINC000844399429 1278948143 /nfs/dbraw/zinc/94/81/43/1278948143.db2.gz IUCGVNAFASRJIR-UHFFFAOYSA-N 1 1 327.428 2.702 20 10 EFCDMO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1c([O-])ccc2ccncc21 ZINC000746644219 1275683279 /nfs/dbraw/zinc/68/32/79/1275683279.db2.gz ASNXLNRPJWASJD-MOXGXCLJSA-N 1 1 341.455 2.624 20 10 EFCDMO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1c([O-])ccc2ccncc21 ZINC000746644219 1275683287 /nfs/dbraw/zinc/68/32/87/1275683287.db2.gz ASNXLNRPJWASJD-MOXGXCLJSA-N 1 1 341.455 2.624 20 10 EFCDMO COC(=O)[C@@H]1CC[N@@H+](Cc2c(O)ccc3ccc(OC)cc32)[C@H]1C ZINC000787239942 1275731171 /nfs/dbraw/zinc/73/11/71/1275731171.db2.gz PKLZTFCMPWSMQO-SWLSCSKDSA-N 1 1 329.396 2.937 20 10 EFCDMO CC(C)CN1C[C@H]2C[N@H+](Cc3cc(Cl)ccc3O)CCN2C1=O ZINC000787289896 1275734773 /nfs/dbraw/zinc/73/47/73/1275734773.db2.gz ZZZMUAPLFMVKAD-OAHLLOKOSA-N 1 1 337.851 2.623 20 10 EFCDMO CC(C)CN1C[C@H]2C[N@@H+](Cc3cc(Cl)ccc3O)CCN2C1=O ZINC000787289896 1275734779 /nfs/dbraw/zinc/73/47/79/1275734779.db2.gz ZZZMUAPLFMVKAD-OAHLLOKOSA-N 1 1 337.851 2.623 20 10 EFCDMO CCOC(=O)[C@H](CC)[N@H+](Cc1cc(OC)c(OC)cc1O)C1CC1 ZINC000787438590 1275779952 /nfs/dbraw/zinc/77/99/52/1275779952.db2.gz DVQORHJCIVBUPN-AWEZNQCLSA-N 1 1 337.416 2.716 20 10 EFCDMO CCOC(=O)[C@H](CC)[N@@H+](Cc1cc(OC)c(OC)cc1O)C1CC1 ZINC000787438590 1275779956 /nfs/dbraw/zinc/77/99/56/1275779956.db2.gz DVQORHJCIVBUPN-AWEZNQCLSA-N 1 1 337.416 2.716 20 10 EFCDMO CC(C)OCC[C@@H](O)C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000788274460 1276124599 /nfs/dbraw/zinc/12/45/99/1276124599.db2.gz HODWHAUVXCLENQ-QZTJIDSGSA-N 1 1 337.460 2.549 20 10 EFCDMO C[N@H+]1CCCC[C@@H]1c1ccc(NCC(=O)c2ccc(O)c(O)c2)nc1 ZINC001170316698 1279009171 /nfs/dbraw/zinc/00/91/71/1279009171.db2.gz YXXXLBYMSOLGBG-OAHLLOKOSA-N 1 1 341.411 2.944 20 10 EFCDMO C[C@H]([NH2+]C[C@@H](CO)[C@@H]1CCOC1)c1cccc(C(F)(F)F)c1O ZINC000788800082 1276317375 /nfs/dbraw/zinc/31/73/75/1276317375.db2.gz FTBMQHCKLVAEGG-TUAOUCFPSA-N 1 1 333.350 2.707 20 10 EFCDMO C[C@H](CC(=O)Nc1ccccc1)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817939063 1276386354 /nfs/dbraw/zinc/38/63/54/1276386354.db2.gz YKXJEMQDBNWJSB-DNVCBOLYSA-N 1 1 340.471 2.759 20 10 EFCDMO COC(=O)c1csc([C@H](C)[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)c1 ZINC000817943266 1276390050 /nfs/dbraw/zinc/39/00/50/1276390050.db2.gz SZFIGBJEZXBQAR-BLLLJJGKSA-N 1 1 347.484 2.951 20 10 EFCDMO C[C@H](N[C@@H](C)[C@@H]1CCC[NH2+]C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000817947759 1276390879 /nfs/dbraw/zinc/39/08/79/1276390879.db2.gz QJUZCNWYSPGXCK-YQQAZPJKSA-N 1 1 335.467 2.701 20 10 EFCDMO C[C@@H](N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1)[C@H]1CCC[NH2+]C1 ZINC000817947758 1276390908 /nfs/dbraw/zinc/39/09/08/1276390908.db2.gz QJUZCNWYSPGXCK-UXLLHSPISA-N 1 1 335.467 2.701 20 10 EFCDMO C[C@@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1cc(Br)ccc1[O-] ZINC000817976931 1276415450 /nfs/dbraw/zinc/41/54/50/1276415450.db2.gz XDEQEMRTHFGREJ-YGRLFVJLSA-N 1 1 325.250 2.947 20 10 EFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@H]2NCCc3ccccc32)c1 ZINC000817973054 1276415750 /nfs/dbraw/zinc/41/57/50/1276415750.db2.gz BCTKGVYVDAJWGR-SCLBCKFNSA-N 1 1 340.423 2.716 20 10 EFCDMO C[C@@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1cc(Br)ccc1[O-] ZINC000817976930 1276416033 /nfs/dbraw/zinc/41/60/33/1276416033.db2.gz XDEQEMRTHFGREJ-QMTHXVAHSA-N 1 1 325.250 2.947 20 10 EFCDMO C[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1ccc(Br)cc1[O-] ZINC000817976630 1276417384 /nfs/dbraw/zinc/41/73/84/1276417384.db2.gz PWOQKPHMLFRWQM-IINYFYTJSA-N 1 1 325.250 2.947 20 10 EFCDMO CCOC1CC(CC[NH2+]Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000788969577 1276419364 /nfs/dbraw/zinc/41/93/64/1276419364.db2.gz JZLZPKKRXVEPKU-UHFFFAOYSA-N 1 1 331.504 2.733 20 10 EFCDMO CCN1CC[C@H]([NH2+]C[C@@H]2CCN(c3ccc(OC)cc3)C2)[C@H](C)C1 ZINC000818344141 1276510863 /nfs/dbraw/zinc/51/08/63/1276510863.db2.gz JUARENPNVBUMOD-UWVAXJGDSA-N 1 1 331.504 2.841 20 10 EFCDMO COc1ccc(N2CC[C@H](C[NH2+]C3CCN(CC4CC4)CC3)C2)cc1 ZINC000818343982 1276511025 /nfs/dbraw/zinc/51/10/25/1276511025.db2.gz GTLCUTLCVYBSEL-GOSISDBHSA-N 1 1 343.515 2.986 20 10 EFCDMO CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819583472 1276824663 /nfs/dbraw/zinc/82/46/63/1276824663.db2.gz WVVBDOSHLIXDCE-QFBILLFUSA-N 1 1 345.487 2.512 20 10 EFCDMO C[C@@]1(CO)CCC[N@H+]1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000789557961 1276843607 /nfs/dbraw/zinc/84/36/07/1276843607.db2.gz PXOLKIXIFDQIAF-SFHVURJKSA-N 1 1 333.432 2.932 20 10 EFCDMO Oc1cc2c(cc1C[N@H+]1CC3(CCC3)[C@@H]1C1CCOCC1)[C@@H](O)CO2 ZINC000819902062 1276940938 /nfs/dbraw/zinc/94/09/38/1276940938.db2.gz MQLRRISYBNGKQA-HKUYNNGSSA-N 1 1 345.439 2.599 20 10 EFCDMO CCOC(=O)c1cc(C[N@H+](CC)Cc2ccc(N(C)C)cc2)on1 ZINC000820852003 1277347889 /nfs/dbraw/zinc/34/78/89/1277347889.db2.gz XTRXNTYMLLJEMW-UHFFFAOYSA-N 1 1 331.416 2.939 20 10 EFCDMO CCOC(=O)c1cc(C[N@@H+](CC)Cc2ccc(N(C)C)cc2)on1 ZINC000820852003 1277347897 /nfs/dbraw/zinc/34/78/97/1277347897.db2.gz XTRXNTYMLLJEMW-UHFFFAOYSA-N 1 1 331.416 2.939 20 10 EFCDMO COc1ccc(O)c([C@H](C)NC(=O)C[N@@H+](C)CCc2ccccc2)c1 ZINC000821064530 1277425449 /nfs/dbraw/zinc/42/54/49/1277425449.db2.gz CPDUWIZNZNUTRQ-HNNXBMFYSA-N 1 1 342.439 2.753 20 10 EFCDMO COc1ccc2ccc(O)c(C[N@H+]3CC[C@H](N4CCCC4=O)C3)c2c1 ZINC000790455464 1277572315 /nfs/dbraw/zinc/57/23/15/1277572315.db2.gz DBTVIQZNKHDCKP-HNNXBMFYSA-N 1 1 340.423 2.751 20 10 EFCDMO O=C(NC[C@H]1CCC[N@H+]1CC1CCCCC1)c1cccc(O)c1O ZINC000790668051 1277708196 /nfs/dbraw/zinc/70/81/96/1277708196.db2.gz JJUMVNOWIQKCOB-OAHLLOKOSA-N 1 1 332.444 2.872 20 10 EFCDMO Cc1cc(C[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)ccc1N(C)C ZINC000815078042 1287301680 /nfs/dbraw/zinc/30/16/80/1287301680.db2.gz LZPUSWSABYUTGG-RXVVDRJESA-N 1 1 344.547 2.519 20 10 EFCDMO Cc1cc(C[N@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)ccc1N(C)C ZINC000815078042 1287301684 /nfs/dbraw/zinc/30/16/84/1287301684.db2.gz LZPUSWSABYUTGG-RXVVDRJESA-N 1 1 344.547 2.519 20 10 EFCDMO Cc1cc(C[NH+]2CCN(c3ncccc3F)CC2)ccc1N(C)C ZINC000815078244 1287303700 /nfs/dbraw/zinc/30/37/00/1287303700.db2.gz TVBPELQYRJDASD-UHFFFAOYSA-N 1 1 328.435 2.917 20 10 EFCDMO C[C@@H](O)C[C@H]1CCCC[N@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000790934279 1277853408 /nfs/dbraw/zinc/85/34/08/1277853408.db2.gz JRDRAWFREORANH-NVXWUHKLSA-N 1 1 336.451 2.788 20 10 EFCDMO CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+]Cc2c(O)ccc(Cl)c2F)C1 ZINC000790965001 1277884402 /nfs/dbraw/zinc/88/44/02/1277884402.db2.gz YKRBABQUEFHRGA-MNOVXSKESA-N 1 1 328.815 2.921 20 10 EFCDMO OC[C@@H](C[C@@H](O)c1ccccc1)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790983637 1277911424 /nfs/dbraw/zinc/91/14/24/1277911424.db2.gz RCAPRZSSGWLQKF-MLGOLLRUSA-N 1 1 339.794 2.759 20 10 EFCDMO COC(=O)c1cc(C(C)(C)[NH2+]Cc2ccc(N(C)C)c(C)c2)no1 ZINC000815120373 1287315221 /nfs/dbraw/zinc/31/52/21/1287315221.db2.gz QHOVQEURBGBWII-UHFFFAOYSA-N 1 1 331.416 2.861 20 10 EFCDMO CCN(C)c1ccc(C[N@@H+]2CCN3C(=O)N(CC(C)C)C[C@@H]3C2)cc1 ZINC000815104193 1287327733 /nfs/dbraw/zinc/32/77/33/1287327733.db2.gz DGCGEMFYZVRVGN-IBGZPJMESA-N 1 1 344.503 2.721 20 10 EFCDMO CCN(C)c1ccc(C[N@H+]2CCN3C(=O)N(CC(C)C)C[C@@H]3C2)cc1 ZINC000815104193 1287327738 /nfs/dbraw/zinc/32/77/38/1287327738.db2.gz DGCGEMFYZVRVGN-IBGZPJMESA-N 1 1 344.503 2.721 20 10 EFCDMO COC(=O)C(C)(C)CC[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000792768200 1279164621 /nfs/dbraw/zinc/16/46/21/1279164621.db2.gz XYZLDYYYDZGWEE-INIZCTEOSA-N 1 1 335.444 2.963 20 10 EFCDMO CCNC(=O)C[N@H+](CC)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792778495 1279171690 /nfs/dbraw/zinc/17/16/90/1279171690.db2.gz VVHNTJXKMAFXCG-UHFFFAOYSA-N 1 1 331.382 2.729 20 10 EFCDMO CCNC(=O)C[N@@H+](CC)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792778495 1279171695 /nfs/dbraw/zinc/17/16/95/1279171695.db2.gz VVHNTJXKMAFXCG-UHFFFAOYSA-N 1 1 331.382 2.729 20 10 EFCDMO CCOC(=O)[C@@]1(COC)CCC[N@@H+](Cc2ccc(N(C)CC)cc2)C1 ZINC000815108473 1287329647 /nfs/dbraw/zinc/32/96/47/1287329647.db2.gz XHQUBDSZXJKDPZ-FQEVSTJZSA-N 1 1 348.487 2.934 20 10 EFCDMO COc1ccc(N2CCC[N@@H+](CN3C(=O)CC34CCCC4)CC2)cc1 ZINC000844687522 1279187941 /nfs/dbraw/zinc/18/79/41/1279187941.db2.gz ACFREYSGIHBAER-UHFFFAOYSA-N 1 1 343.471 2.710 20 10 EFCDMO CCC[C@@H]1CC(=O)N(C[N@H+](C)CCN(C)c2ccc(OC)cc2)C1 ZINC000844724965 1279202463 /nfs/dbraw/zinc/20/24/63/1279202463.db2.gz GDRZULOOMRIDPO-MRXNPFEDSA-N 1 1 333.476 2.669 20 10 EFCDMO CCC[C@@H]1CC(=O)N(C[N@@H+](C)CCN(C)c2ccc(OC)cc2)C1 ZINC000844724965 1279202465 /nfs/dbraw/zinc/20/24/65/1279202465.db2.gz GDRZULOOMRIDPO-MRXNPFEDSA-N 1 1 333.476 2.669 20 10 EFCDMO NC(=O)C[C@H]([NH2+]Cc1cccc(Br)c1O)c1ccccc1 ZINC000815154339 1287332702 /nfs/dbraw/zinc/33/27/02/1287332702.db2.gz NMVNUYKWWGRCOG-AWEZNQCLSA-N 1 1 349.228 2.861 20 10 EFCDMO COc1ccc(CNC(=O)N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)c(O)c1 ZINC000792914427 1279272429 /nfs/dbraw/zinc/27/24/29/1279272429.db2.gz RXEAEMYBHHJWLT-QLFBSQMISA-N 1 1 349.475 2.566 20 10 EFCDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)NCc1cc(Cl)ccc1O ZINC000844939397 1279354489 /nfs/dbraw/zinc/35/44/89/1279354489.db2.gz PMDCBQFMTQCNER-LLVKDONJSA-N 1 1 336.823 2.686 20 10 EFCDMO C[N@@H+]1C[C@H]2CCCN(Cc3cc(Br)c(F)cc3O)[C@@H]2C1 ZINC001144306403 1279403918 /nfs/dbraw/zinc/40/39/18/1279403918.db2.gz AIYLLZMDGLUMSC-QMTHXVAHSA-N 1 1 343.240 2.820 20 10 EFCDMO C[N@H+]1C[C@H]2CCCN(Cc3cc(Br)c(F)cc3O)[C@@H]2C1 ZINC001144306403 1279403921 /nfs/dbraw/zinc/40/39/21/1279403921.db2.gz AIYLLZMDGLUMSC-QMTHXVAHSA-N 1 1 343.240 2.820 20 10 EFCDMO C[N@@H+]1C[C@@H]2CCCN(Cc3cc(Br)c(F)cc3O)[C@@H]2C1 ZINC001144306402 1279403956 /nfs/dbraw/zinc/40/39/56/1279403956.db2.gz AIYLLZMDGLUMSC-IINYFYTJSA-N 1 1 343.240 2.820 20 10 EFCDMO C[N@H+]1C[C@@H]2CCCN(Cc3cc(Br)c(F)cc3O)[C@@H]2C1 ZINC001144306402 1279403957 /nfs/dbraw/zinc/40/39/57/1279403957.db2.gz AIYLLZMDGLUMSC-IINYFYTJSA-N 1 1 343.240 2.820 20 10 EFCDMO C[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C[C@@H](C2CC2)O1 ZINC000793214691 1279443743 /nfs/dbraw/zinc/44/37/43/1279443743.db2.gz QBIBMGLZMKYPJE-LIRRHRJNSA-N 1 1 334.435 2.662 20 10 EFCDMO C[C@H]1C[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C[C@@H](C2CC2)O1 ZINC000793214691 1279443747 /nfs/dbraw/zinc/44/37/47/1279443747.db2.gz QBIBMGLZMKYPJE-LIRRHRJNSA-N 1 1 334.435 2.662 20 10 EFCDMO O=C(NCc1c[nH+]c2n1CCCC2)NCc1cc(Cl)ccc1O ZINC000845180943 1279475986 /nfs/dbraw/zinc/47/59/86/1279475986.db2.gz BWHLKDYZCJCORB-UHFFFAOYSA-N 1 1 334.807 2.578 20 10 EFCDMO CCN(CC)c1ccc(CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)cc1 ZINC000845233479 1279510359 /nfs/dbraw/zinc/51/03/59/1279510359.db2.gz REIDCMCLMLPTSF-QGZVFWFLSA-N 1 1 340.471 2.917 20 10 EFCDMO C[N@@H+](Cc1cc(I)c[nH]1)Cc1ccccc1O ZINC001144401375 1279540877 /nfs/dbraw/zinc/54/08/77/1279540877.db2.gz DQXIAIGDHDMYRP-UHFFFAOYSA-N 1 1 342.180 2.957 20 10 EFCDMO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC000845310750 1279567661 /nfs/dbraw/zinc/56/76/61/1279567661.db2.gz QWQKGRNZGZOAQF-QGZVFWFLSA-N 1 1 340.471 2.869 20 10 EFCDMO COC(=O)CCC[N@@H+](Cc1ccccc1)Cc1c(O)cc(O)cc1O ZINC001144499843 1279741970 /nfs/dbraw/zinc/74/19/70/1279741970.db2.gz LRDFGKQEBAFFJE-UHFFFAOYSA-N 1 1 345.395 2.759 20 10 EFCDMO CC1(C)C[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)[C@@H]1c1cccnc1 ZINC000793569102 1279752120 /nfs/dbraw/zinc/75/21/20/1279752120.db2.gz BSHHEVVVQCGVAT-SJLPKXTDSA-N 1 1 326.396 2.796 20 10 EFCDMO CC1(C)C[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)[C@@H]1c1cccnc1 ZINC000793569102 1279752124 /nfs/dbraw/zinc/75/21/24/1279752124.db2.gz BSHHEVVVQCGVAT-SJLPKXTDSA-N 1 1 326.396 2.796 20 10 EFCDMO COc1c(O)c(C[NH2+]CCc2ccc3c[nH]nc3c2)ccc1[N+](=O)[O-] ZINC000793609564 1279773417 /nfs/dbraw/zinc/77/34/17/1279773417.db2.gz OTDIIOGYNJQHMC-UHFFFAOYSA-N 1 1 342.355 2.518 20 10 EFCDMO COc1ccccc1[C@@H](O)C[N@@H+](Cc1c(O)cc(O)cc1O)C(C)C ZINC001144514671 1279775032 /nfs/dbraw/zinc/77/50/32/1279775032.db2.gz ODBMVIOTDJWXTB-SFHVURJKSA-N 1 1 347.411 2.756 20 10 EFCDMO Oc1cc(O)c(C[N@H+]2CCc3nn(-c4ccccc4)cc3C2)c(O)c1 ZINC001144515622 1279778102 /nfs/dbraw/zinc/77/81/02/1279778102.db2.gz SXHMPIWQIKGREO-UHFFFAOYSA-N 1 1 337.379 2.547 20 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/nfs/dbraw/zinc/85/04/62/1279850462.db2.gz YCSZRCVYSJYKNO-CYBMUJFWSA-N 1 1 344.386 2.971 20 10 EFCDMO Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)CC2 ZINC000845957795 1279933009 /nfs/dbraw/zinc/93/30/09/1279933009.db2.gz SHSQOLKBGCIUSM-BBRMVZONSA-N 1 1 326.444 2.697 20 10 EFCDMO COCC(C)(C)[NH+]1CCN(Cc2c(O)ccc(Cl)c2F)CC1 ZINC000822498012 1289015429 /nfs/dbraw/zinc/01/54/29/1289015429.db2.gz SKYQELNUJZBTRM-UHFFFAOYSA-N 1 1 330.831 2.727 20 10 EFCDMO COc1ccc(CNC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)c(O)c1 ZINC000794387714 1280165707 /nfs/dbraw/zinc/16/57/07/1280165707.db2.gz KIYGEOYEFYCKNH-QGZVFWFLSA-N 1 1 348.830 2.973 20 10 EFCDMO C[C@@H](CC[NH+](C)C)NC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805184689 1280473407 /nfs/dbraw/zinc/47/34/07/1280473407.db2.gz VRZTZZUHTJBCTK-VIFPVBQESA-N 1 1 334.247 2.838 20 10 EFCDMO CC[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806157660 1280995822 /nfs/dbraw/zinc/99/58/22/1280995822.db2.gz AOBRSDLWXWALKZ-ZFWWWQNUSA-N 1 1 333.259 2.806 20 10 EFCDMO CC[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806157660 1280995831 /nfs/dbraw/zinc/99/58/31/1280995831.db2.gz AOBRSDLWXWALKZ-ZFWWWQNUSA-N 1 1 333.259 2.806 20 10 EFCDMO CC[N@@H+]1CCC[C@H]1CNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000806855455 1281164820 /nfs/dbraw/zinc/16/48/20/1281164820.db2.gz MIRDMWQLAUSNSK-LBPRGKRZSA-N 1 1 346.258 2.983 20 10 EFCDMO CC[N@H+]1CCC[C@H]1CNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000806855455 1281164824 /nfs/dbraw/zinc/16/48/24/1281164824.db2.gz MIRDMWQLAUSNSK-LBPRGKRZSA-N 1 1 346.258 2.983 20 10 EFCDMO C[N@@H+](CCC[NH+]1CCCC1)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000798958202 1281445953 /nfs/dbraw/zinc/44/59/53/1281445953.db2.gz PPZHQBFGXQDGKV-UHFFFAOYSA-N 1 1 327.812 2.872 20 10 EFCDMO O=C(NCc1cc(Cl)cc(Cl)c1O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000807835822 1281446059 /nfs/dbraw/zinc/44/60/59/1281446059.db2.gz APGBEGHGQFMCJQ-CYBMUJFWSA-N 1 1 329.227 2.942 20 10 EFCDMO O=C(NCc1cc(Cl)cc(Cl)c1O)[C@H]1CCC[N@H+]1C1CC1 ZINC000807835822 1281446066 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COC(=O)C[C@@H]1COCC[N@@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000809773185 1282432667 /nfs/dbraw/zinc/43/26/67/1282432667.db2.gz MZBQGPHGDIGXBP-GOSISDBHSA-N 1 1 341.407 2.823 20 10 EFCDMO COC(=O)C[C@@H]1COCC[N@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000809773185 1282432672 /nfs/dbraw/zinc/43/26/72/1282432672.db2.gz MZBQGPHGDIGXBP-GOSISDBHSA-N 1 1 341.407 2.823 20 10 EFCDMO C[NH+](C)CCN(Cc1cc(Cl)cc(F)c1O)C[C@H]1CCCO1 ZINC000809737014 1282438105 /nfs/dbraw/zinc/43/81/05/1282438105.db2.gz AQVNYUJAEXKDOL-CQSZACIVSA-N 1 1 330.831 2.727 20 10 EFCDMO COc1c(O)c(C[NH2+]CC[C@H](O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000809747281 1282446451 /nfs/dbraw/zinc/44/64/51/1282446451.db2.gz NNRLSQWLSBRGHX-HNNXBMFYSA-N 1 1 332.356 2.522 20 10 EFCDMO Cc1cc(Br)cc(CN(C)CC[N@@H+](C)C2CC2)c1O ZINC000809754023 1282456441 /nfs/dbraw/zinc/45/64/41/1282456441.db2.gz ADZIOQAUDSMMHU-UHFFFAOYSA-N 1 1 327.266 2.989 20 10 EFCDMO Cc1cc(Br)cc(C[N@@H+](C)CCN(C)C2CC2)c1O ZINC000809754023 1282456445 /nfs/dbraw/zinc/45/64/45/1282456445.db2.gz ADZIOQAUDSMMHU-UHFFFAOYSA-N 1 1 327.266 2.989 20 10 EFCDMO Cc1cc(Br)cc(C[N@H+](C)CCN(C)C2CC2)c1O ZINC000809754023 1282456454 /nfs/dbraw/zinc/45/64/54/1282456454.db2.gz ADZIOQAUDSMMHU-UHFFFAOYSA-N 1 1 327.266 2.989 20 10 EFCDMO Cc1cc(C[N@H+](C)CCNC(=O)N(C)C)ccc1N1CCCCC1 ZINC000828603402 1287587559 /nfs/dbraw/zinc/58/75/59/1287587559.db2.gz AXQLVZNBSNHNPM-UHFFFAOYSA-N 1 1 332.492 2.688 20 10 EFCDMO C[C@@H]([NH2+]C[C@@H](O)c1cnn(C)c1)c1cccc(C(F)(F)F)c1O ZINC000815584196 1287613438 /nfs/dbraw/zinc/61/34/38/1287613438.db2.gz XXSSBVNWERVXRW-NOZJJQNGSA-N 1 1 329.322 2.529 20 10 EFCDMO C[C@H]([NH2+][C@H]1CC(=O)N(C2CC2)C1)c1cccc(C(F)(F)F)c1O ZINC000815595561 1287621175 /nfs/dbraw/zinc/62/11/75/1287621175.db2.gz VIBNRAXZLOXMPF-UWVGGRQHSA-N 1 1 328.334 2.825 20 10 EFCDMO C[C@@H]([NH2+]CCCc1cnn(C)n1)c1cccc(C(F)(F)F)c1O ZINC000815640427 1287664252 /nfs/dbraw/zinc/66/42/52/1287664252.db2.gz XKSQVPDCVRWESI-SNVBAGLBSA-N 1 1 328.338 2.823 20 10 EFCDMO CC[N@H+]1CC[C@H](C[NH2+]Cc2cc(Br)cc(F)c2[O-])C1 ZINC000715791963 1284331835 /nfs/dbraw/zinc/33/18/35/1284331835.db2.gz MGSGJWSHYJPSKV-SNVBAGLBSA-N 1 1 331.229 2.725 20 10 EFCDMO CCOc1cccc(C[N@@H+](C)C2CN(C(=O)OC(C)(C)C)C2)c1O ZINC000811514712 1284392119 /nfs/dbraw/zinc/39/21/19/1284392119.db2.gz DHFQUBFWLDVIDO-UHFFFAOYSA-N 1 1 336.432 2.842 20 10 EFCDMO CN(C)c1ccc(C[N@H+](C)CN2C(=O)C(C)(C)[C@H]2[C@H]2CCCO2)cc1 ZINC000811729006 1284568526 /nfs/dbraw/zinc/56/85/26/1284568526.db2.gz JUGYZSRHNVGTQT-QZTJIDSGSA-N 1 1 345.487 2.558 20 10 EFCDMO CN(C)c1ccc(C[N@@H+](C)CN2C(=O)C(C)(C)[C@H]2[C@H]2CCCO2)cc1 ZINC000811729006 1284568536 /nfs/dbraw/zinc/56/85/36/1284568536.db2.gz JUGYZSRHNVGTQT-QZTJIDSGSA-N 1 1 345.487 2.558 20 10 EFCDMO CN(C)c1ccc(C[N@H+](C)CN2C(=O)C(C)(C)[C@@H]2[C@@H]2CCCO2)cc1 ZINC000811729008 1284568744 /nfs/dbraw/zinc/56/87/44/1284568744.db2.gz JUGYZSRHNVGTQT-ROUUACIJSA-N 1 1 345.487 2.558 20 10 EFCDMO CN(C)c1ccc(C[N@@H+](C)CN2C(=O)C(C)(C)[C@@H]2[C@@H]2CCCO2)cc1 ZINC000811729008 1284568750 /nfs/dbraw/zinc/56/87/50/1284568750.db2.gz JUGYZSRHNVGTQT-ROUUACIJSA-N 1 1 345.487 2.558 20 10 EFCDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000811884998 1284729902 /nfs/dbraw/zinc/72/99/02/1284729902.db2.gz SSNYHWAHYYITAE-QGZVFWFLSA-N 1 1 344.503 2.982 20 10 EFCDMO CC(C)[N@H+](C)C[C@H](C)NC(=O)NCCCSc1nccs1 ZINC000812154989 1284930151 /nfs/dbraw/zinc/93/01/51/1284930151.db2.gz XYWMOJOMYKWIKT-LBPRGKRZSA-N 1 1 330.523 2.653 20 10 EFCDMO CCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(N=NC(N)=O)cc3)CC[C@@H]21 ZINC001036905346 1285401568 /nfs/dbraw/zinc/40/15/68/1285401568.db2.gz IEUYGCIKZYITIB-ZBFHGGJFSA-N 1 1 343.431 2.795 20 10 EFCDMO CCOc1ccc(C[N@H+]2CC[C@](CO)(c3ccccc3)C2)c(O)c1 ZINC000812781783 1285415280 /nfs/dbraw/zinc/41/52/80/1285415280.db2.gz FWPYQGVPYGXSAW-FQEVSTJZSA-N 1 1 327.424 2.927 20 10 EFCDMO CN1CCN(c2ccc(C[NH2+][C@H]3Cc4cccc(F)c4C3)cc2)CC1 ZINC001171774453 1285779423 /nfs/dbraw/zinc/77/94/23/1285779423.db2.gz AEBYMTPRMOPVFL-SFHVURJKSA-N 1 1 339.458 2.835 20 10 EFCDMO C[C@H](NC(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1)c1ccc(N(C)C)cc1 ZINC000813720984 1286073090 /nfs/dbraw/zinc/07/30/90/1286073090.db2.gz ZNIQYMXKKDOVDE-HNAYVOBHSA-N 1 1 330.476 2.551 20 10 EFCDMO COC(=O)[C@@H]1CCC[C@H]([N@H+]2CCCc3cc(O)c(O)cc3C2)CC1 ZINC001172806697 1286284856 /nfs/dbraw/zinc/28/48/56/1286284856.db2.gz KESAVTKGSLTORT-CJNGLKHVSA-N 1 1 333.428 2.968 20 10 EFCDMO CCC[N@@H+](CC(N)=O)Cc1ccc(OCc2ccccc2)cc1O ZINC000814177760 1286360395 /nfs/dbraw/zinc/36/03/95/1286360395.db2.gz OFNGKIXEZLFMAZ-UHFFFAOYSA-N 1 1 328.412 2.669 20 10 EFCDMO [NH3+][C@@H]1CCN(Cc2cc(Br)c(F)cc2O)CC[C@H]1F ZINC001206188306 1286390407 /nfs/dbraw/zinc/39/04/07/1286390407.db2.gz VECNRPWJSPPJCF-ZYHUDNBSSA-N 1 1 335.192 2.555 20 10 EFCDMO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)[C@@H]1CCc2ncsc2C1 ZINC001173136161 1286424357 /nfs/dbraw/zinc/42/43/57/1286424357.db2.gz DWRMZSWWCJNQTE-QGZVFWFLSA-N 1 1 343.496 2.969 20 10 EFCDMO CCOc1cccc(C[NH+]2CCN(C(=O)OC(C)(C)C)CC2)c1O ZINC000123705547 1287167487 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OC[C@@H]1CCC[N@H+]1CCCC[NH2+]Cc1ccc2ccccc2c1O ZINC000816551126 1288199230 /nfs/dbraw/zinc/19/92/30/1288199230.db2.gz PVESJCPEUYYSBJ-SFHVURJKSA-N 1 1 328.456 2.872 20 10 EFCDMO [O-]c1c(C[NH2+]CCCC[N@H+]2CCC[C@H]2CO)ccc2ccccc21 ZINC000816551126 1288199235 /nfs/dbraw/zinc/19/92/35/1288199235.db2.gz PVESJCPEUYYSBJ-SFHVURJKSA-N 1 1 328.456 2.872 20 10 EFCDMO [O-]c1c(C[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)ccc2ccccc21 ZINC000816551126 1288199237 /nfs/dbraw/zinc/19/92/37/1288199237.db2.gz PVESJCPEUYYSBJ-SFHVURJKSA-N 1 1 328.456 2.872 20 10 EFCDMO C[NH+]1CCC(N2CC[C@@H]([NH2+]Cc3ccc4ccccc4c3[O-])C2)CC1 ZINC000816549657 1288199325 /nfs/dbraw/zinc/19/93/25/1288199325.db2.gz VFFJZULXTBVEGW-GOSISDBHSA-N 1 1 339.483 2.804 20 10 EFCDMO c1cc(N2CCOCC2)ccc1C[N@H+]1CC2(CCOCC2)[C@H]1C1CC1 ZINC000816657101 1288230814 /nfs/dbraw/zinc/23/08/14/1288230814.db2.gz KGQXYRDRUPGHJT-HXUWFJFHSA-N 1 1 342.483 2.914 20 10 EFCDMO CC[C@H]1C[N@@H+](C)CCN1Cc1cc(Br)cc(C)c1O ZINC000816660550 1288232645 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CO[C@@H](C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1)C1CCOCC1 ZINC000876531692 1290936880 /nfs/dbraw/zinc/93/68/80/1290936880.db2.gz MKDCJOJQJLLSBX-ICSRJNTNSA-N 1 1 349.471 2.815 20 10 EFCDMO COc1c(O)c(C[NH2+][C@@H]2CCCc3nc(C)ncc32)ccc1[N+](=O)[O-] ZINC000775012652 1290942258 /nfs/dbraw/zinc/94/22/58/1290942258.db2.gz RTYLTNYUMNQUFH-CYBMUJFWSA-N 1 1 344.371 2.575 20 10 EFCDMO COc1c(O)c(C[NH2+][C@H](C)c2cnn(C(C)C)c2)ccc1[N+](=O)[O-] ZINC000775012565 1290942292 /nfs/dbraw/zinc/94/22/92/1290942292.db2.gz RDJIKTLGCKHJMR-LLVKDONJSA-N 1 1 334.376 2.937 20 10 EFCDMO OC1CCN(c2ccc(C[N@@H+](C[C@H]3CCOC3)C3CC3)cc2)CC1 ZINC000876570653 1290944974 /nfs/dbraw/zinc/94/49/74/1290944974.db2.gz KAZIHZUESJPPDU-QGZVFWFLSA-N 1 1 330.472 2.649 20 10 EFCDMO COCC[C@H](C[N@@H+](C)Cc1ccccc1O)NC(=O)OC(C)(C)C ZINC000876615818 1290956695 /nfs/dbraw/zinc/95/66/95/1290956695.db2.gz MBENEAWBKCHYPM-OAHLLOKOSA-N 1 1 338.448 2.754 20 10 EFCDMO COc1cccc(C[N@H+](C)CC(=O)Nc2cc(F)cc(F)c2)c1O ZINC000093012654 1290981887 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EFCDMO COC(=O)[C@H](Cc1ccccc1)[N@H+](C)Cc1cccc(OC)c1O ZINC001203599230 1312967708 /nfs/dbraw/zinc/96/77/08/1312967708.db2.gz DVCWBCJBCRNWGL-INIZCTEOSA-N 1 1 329.396 2.617 20 10 EFCDMO COC(=O)[C@H](Cc1ccccc1)[N@@H+](C)Cc1cccc(OC)c1O ZINC001203599230 1312967710 /nfs/dbraw/zinc/96/77/10/1312967710.db2.gz DVCWBCJBCRNWGL-INIZCTEOSA-N 1 1 329.396 2.617 20 10 EFCDMO CCOc1cccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)c1O ZINC001203603490 1312968338 /nfs/dbraw/zinc/96/83/38/1312968338.db2.gz RKPITGZBZQDNSG-GJZGRUSLSA-N 1 1 348.443 2.985 20 10 EFCDMO CCOc1cccc(C[N@H+]2C[C@@H]3C[C@H](C(=O)NC4CC4)C[C@@H]3C2)c1O ZINC001203609843 1312970356 /nfs/dbraw/zinc/97/03/56/1312970356.db2.gz MHINYVFCONUGSS-PHZGNYQRSA-N 1 1 344.455 2.528 20 10 EFCDMO CCOC[C@@H]1Cn2nccc2C[N@@H+](Cc2cccc(OCC)c2O)C1 ZINC001203609765 1312970500 /nfs/dbraw/zinc/97/05/00/1312970500.db2.gz JQNQACLGCWZVGY-HNNXBMFYSA-N 1 1 345.443 2.656 20 10 EFCDMO CCOc1cccc(C[N@H+]2CC[C@@H]3[C@H](CCN3C(=O)C(C)C)C2)c1O ZINC001203609108 1312970533 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ZKYKIWZFGDQUDR-CYBMUJFWSA-N 1 1 347.415 2.992 20 10 EFCDMO COc1cc(C[N@@H+]2CCC[C@H](Oc3cc(C)ccn3)C2)cc(O)c1O ZINC001204352059 1313127768 /nfs/dbraw/zinc/12/77/68/1313127768.db2.gz YDBJUIXOCCHJCA-HNNXBMFYSA-N 1 1 344.411 2.853 20 10 EFCDMO COc1cc(C[N@H+]2CCC[C@H](Oc3cc(C)ccn3)C2)cc(O)c1O ZINC001204352059 1313127772 /nfs/dbraw/zinc/12/77/72/1313127772.db2.gz YDBJUIXOCCHJCA-HNNXBMFYSA-N 1 1 344.411 2.853 20 10 EFCDMO COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000104900570 1295440437 /nfs/dbraw/zinc/44/04/37/1295440437.db2.gz VZERDEDFVOUQTO-FZKQIMNGSA-N 1 1 328.412 2.881 20 10 EFCDMO Cc1cc(F)cc(C[N@H+]2CCC[C@@]23CCN(CC(F)F)C3=O)c1O ZINC001274100029 1295451584 /nfs/dbraw/zinc/45/15/84/1295451584.db2.gz STKAXNYKKUJMOR-KRWDZBQOSA-N 1 1 342.361 2.672 20 10 EFCDMO Cc1cc(F)cc(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC(F)F)c1O ZINC001274099281 1295453946 /nfs/dbraw/zinc/45/39/46/1295453946.db2.gz CERQJDYJQHQWFX-ZIAGYGMSSA-N 1 1 342.361 2.670 20 10 EFCDMO 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EFCDMO C[N@@H+]1C[C@H]2[C@H](C1)CCCN2Cc1cc(Br)cc(F)c1O ZINC001235068394 1313234947 /nfs/dbraw/zinc/23/49/47/1313234947.db2.gz GGWSLGMOICRKBP-HZMBPMFUSA-N 1 1 343.240 2.820 20 10 EFCDMO C[N@H+](C1CC1)[C@@H]1CCN(Cc2cc(Br)cc(F)c2O)C1 ZINC001235067066 1313235011 /nfs/dbraw/zinc/23/50/11/1313235011.db2.gz PNTYJRLFIQLTRU-CYBMUJFWSA-N 1 1 343.240 2.962 20 10 EFCDMO C[N@@H+](C1CC1)[C@@H]1CCN(Cc2cc(Br)cc(F)c2O)C1 ZINC001235067066 1313235014 /nfs/dbraw/zinc/23/50/14/1313235014.db2.gz PNTYJRLFIQLTRU-CYBMUJFWSA-N 1 1 343.240 2.962 20 10 EFCDMO Oc1c(F)cc(Br)cc1CN1CC[NH+](CC2CC2)CC1 ZINC001235066001 1313234278 /nfs/dbraw/zinc/23/42/78/1313234278.db2.gz TWYGXKNBNDLYCL-UHFFFAOYSA-N 1 1 343.240 2.821 20 10 EFCDMO COC(=O)CC[N@H+](Cc1cc(Br)cc(F)c1O)C1CC1 ZINC001235067157 1313234882 /nfs/dbraw/zinc/23/48/82/1313234882.db2.gz REVVFMYMFRRQIX-UHFFFAOYSA-N 1 1 346.196 2.821 20 10 EFCDMO COC(=O)CC[N@@H+](Cc1cc(Br)cc(F)c1O)C1CC1 ZINC001235067157 1313234886 /nfs/dbraw/zinc/23/48/86/1313234886.db2.gz REVVFMYMFRRQIX-UHFFFAOYSA-N 1 1 346.196 2.821 20 10 EFCDMO Cc1ccc(C)n1-c1ccc(O)c(C(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)c1 ZINC001275408698 1296271216 /nfs/dbraw/zinc/27/12/16/1296271216.db2.gz PTNPZWGDAIAIPV-MAUKXSAKSA-N 1 1 339.439 2.576 20 10 EFCDMO Oc1c(F)cc(Br)cc1CN1CCCCC12C[NH2+]C2 ZINC001235105776 1313243133 /nfs/dbraw/zinc/24/31/33/1313243133.db2.gz WFWKZVCUKZRVDI-UHFFFAOYSA-N 1 1 329.213 2.622 20 10 EFCDMO Cc1cc(=O)oc2c1ccc(O)c2CN1CCCC[C@]12CC[NH2+]C2 ZINC001235116181 1313245619 /nfs/dbraw/zinc/24/56/19/1313245619.db2.gz LMCHHSQFMGXHPM-LJQANCHMSA-N 1 1 328.412 2.525 20 10 EFCDMO C[C@]1([NH3+])CCCN(Cc2ccc(N3CCOCC3)c(Cl)c2)CC1 ZINC001205280966 1313263748 /nfs/dbraw/zinc/26/37/48/1313263748.db2.gz NDIZNHUEKKSESK-SFHVURJKSA-N 1 1 337.895 2.880 20 10 EFCDMO C[C@]1([NH3+])CCCN(Cc2c(O)cc(Br)cc2F)CC1 ZINC001205287695 1313265009 /nfs/dbraw/zinc/26/50/09/1313265009.db2.gz ATQCDWPPQLXBRU-AWEZNQCLSA-N 1 1 331.229 2.997 20 10 EFCDMO C[C@@H]1CCN(Cc2cc(Br)c(F)cc2O)C[C@@H]1C[NH3+] ZINC001205303477 1313267065 /nfs/dbraw/zinc/26/70/65/1313267065.db2.gz GAZWCURLXNQFMW-KOLCDFICSA-N 1 1 331.229 2.711 20 10 EFCDMO C[C@H]1CCN(Cc2c(O)cc(Br)cc2F)C[C@@H]1C[NH3+] ZINC001205317417 1313269167 /nfs/dbraw/zinc/26/91/67/1313269167.db2.gz OYUZBSUNLOJSPM-UWVGGRQHSA-N 1 1 331.229 2.711 20 10 EFCDMO CC(C)[NH+]1CCN(Cc2cc(F)cc(Br)c2O)CC1 ZINC001235293996 1313283994 /nfs/dbraw/zinc/28/39/94/1313283994.db2.gz DQYGQSZJNWJZEF-UHFFFAOYSA-N 1 1 331.229 2.820 20 10 EFCDMO C[N@H+](Cc1cc(Cl)c(C(C)(C)C)cc1O)C[C@H]1CNCCO1 ZINC001205537164 1313308073 /nfs/dbraw/zinc/30/80/73/1313308073.db2.gz DPMPBMUJOFHORR-CYBMUJFWSA-N 1 1 326.868 2.763 20 10 EFCDMO CN(Cc1cc(Cl)c(C(C)(C)C)cc1O)C[C@H]1C[NH2+]CCO1 ZINC001205537164 1313308077 /nfs/dbraw/zinc/30/80/77/1313308077.db2.gz DPMPBMUJOFHORR-CYBMUJFWSA-N 1 1 326.868 2.763 20 10 EFCDMO CC[N@@H+](C)C[C@@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001017267241 1313311739 /nfs/dbraw/zinc/31/17/39/1313311739.db2.gz PSJVEQBDXLEADE-ZDUSSCGKSA-N 1 1 331.420 2.653 20 10 EFCDMO [NH3+]C[C@]1(F)CCC[N@H+](Cc2c([O-])cccc2Br)CC1 ZINC001205560072 1313313518 /nfs/dbraw/zinc/31/35/18/1313313518.db2.gz ZCFAKTXUGZVUNQ-AWEZNQCLSA-N 1 1 331.229 2.808 20 10 EFCDMO [NH3+]C[C@]1(F)CCC[N@@H+](Cc2c([O-])cccc2Br)CC1 ZINC001205560072 1313313522 /nfs/dbraw/zinc/31/35/22/1313313522.db2.gz ZCFAKTXUGZVUNQ-AWEZNQCLSA-N 1 1 331.229 2.808 20 10 EFCDMO Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205618111 1313324246 /nfs/dbraw/zinc/32/42/46/1313324246.db2.gz RNXDDSBDMNORDQ-JSGCOSHPSA-N 1 1 330.428 2.614 20 10 EFCDMO C[C@@H]1CC[N@H+](Cc2c([O-])cccc2Br)CC[C@H]1C[NH3+] ZINC001205626713 1313325597 /nfs/dbraw/zinc/32/55/97/1313325597.db2.gz IJOGNDCUEKQBAN-NEPJUHHUSA-N 1 1 327.266 2.962 20 10 EFCDMO C[C@@H]1CC[N@@H+](Cc2c([O-])cccc2Br)CC[C@H]1C[NH3+] ZINC001205626713 1313325601 /nfs/dbraw/zinc/32/56/01/1313325601.db2.gz IJOGNDCUEKQBAN-NEPJUHHUSA-N 1 1 327.266 2.962 20 10 EFCDMO CC(C)[C@@H]1C[NH2+]CCN1Cc1cc(Br)cc(F)c1O ZINC001235458271 1313327680 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COC(=O)C1CC[NH+](Cc2c(O)cccc2OC(F)(F)F)CC1 ZINC001237115872 1313588899 /nfs/dbraw/zinc/58/88/99/1313588899.db2.gz JDIKZWHHPYVEIW-UHFFFAOYSA-N 1 1 333.306 2.676 20 10 EFCDMO Oc1cccc(OC(F)(F)F)c1C[N@@H+]1CCc2nccn2CC1 ZINC001237115496 1313589098 /nfs/dbraw/zinc/58/90/98/1313589098.db2.gz UKIPNLGDIQEBED-UHFFFAOYSA-N 1 1 327.306 2.546 20 10 EFCDMO CC[C@@H](C)[C@@H](C)C(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000779892490 1299118629 /nfs/dbraw/zinc/11/86/29/1299118629.db2.gz ZFSQDXHUKYKERJ-IAGOWNOFSA-N 1 1 347.503 2.616 20 10 EFCDMO O=C1CCC[C@@]2(CCC[N@H+](Cc3c(O)ccc(F)c3Cl)C2)N1 ZINC001237120252 1313589803 /nfs/dbraw/zinc/58/98/03/1313589803.db2.gz AEVRLXXEWLBPAS-INIZCTEOSA-N 1 1 326.799 2.819 20 10 EFCDMO CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C2 ZINC001096640915 1313594044 /nfs/dbraw/zinc/59/40/44/1313594044.db2.gz ILRAZFDQUDAVMB-ILXRZTDVSA-N 1 1 329.404 2.594 20 10 EFCDMO COc1ccc(N2CCN(Cc3[nH+]cc4ccccn43)CC2)c(C)c1 ZINC001207054027 1313600773 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CCOC(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(N3CCCC3)cc2)C1 ZINC001256039722 1315894669 /nfs/dbraw/zinc/89/46/69/1315894669.db2.gz MCPFHEZLGWBNES-SFHVURJKSA-N 1 1 331.460 2.949 20 10 EFCDMO Cc1cccc(C[N@H+]2CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C2)c1O ZINC000827850620 1316023839 /nfs/dbraw/zinc/02/38/39/1316023839.db2.gz PJGBZJHMJCTZGO-MFKMUULPSA-N 1 1 330.350 2.590 20 10 EFCDMO Cc1cccc(C[N@@H+]2CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C2)c1O ZINC000827850620 1316023840 /nfs/dbraw/zinc/02/38/40/1316023840.db2.gz PJGBZJHMJCTZGO-MFKMUULPSA-N 1 1 330.350 2.590 20 10 EFCDMO C[C@H]1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C[N@H+]1CC1CC1 ZINC001072103352 1316358608 /nfs/dbraw/zinc/35/86/08/1316358608.db2.gz XRJAOUSKDXQUHR-LRDDRELGSA-N 1 1 343.431 2.842 20 10 EFCDMO COc1ccc(CN[C@H]2CCCC[C@@H]2[NH+](C)C)cc1Cn1cccn1 ZINC001261902858 1316436907 /nfs/dbraw/zinc/43/69/07/1316436907.db2.gz FNRRRFOWHKJIIR-OALUTQOASA-N 1 1 342.487 2.902 20 10 EFCDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NCc2ccc(N)cc2)C1 ZINC001262597240 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1324592757 /nfs/dbraw/zinc/59/27/57/1324592757.db2.gz PVIUTMTXXRURES-UHFFFAOYSA-N 1 1 342.355 2.792 20 10 EFCDMO C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H](CCC(=O)[O-])C3)cc2)CC1 ZINC000901553553 1324747075 /nfs/dbraw/zinc/74/70/75/1324747075.db2.gz MIDQVJKDVBSZGS-QGZVFWFLSA-N 1 1 345.487 2.515 20 10 EFCDMO C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H](CCC(=O)[O-])C3)cc2)CC1 ZINC000901553552 1324747337 /nfs/dbraw/zinc/74/73/37/1324747337.db2.gz MIDQVJKDVBSZGS-KRWDZBQOSA-N 1 1 345.487 2.515 20 10 EFCDMO COc1c(O)c(C[NH2+][C@@H](C)CC(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC001320869938 1329312273 /nfs/dbraw/zinc/31/22/73/1329312273.db2.gz UASYUUDVFYJYND-JTQLQIEISA-N 1 1 340.376 2.519 20 10 EFCDMO CO[C@H]1CC[N@@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)[C@H](C)C1 ZINC001321674077 1329402479 /nfs/dbraw/zinc/40/24/79/1329402479.db2.gz KXGSZTXTLXOFSH-WBVHZDCISA-N 1 1 335.467 2.577 20 10 EFCDMO c1ccc(-c2n[nH]c(C[NH2+]Cc3ccc(N4CCCC4)cc3)n2)nc1 ZINC001324379504 1329622045 /nfs/dbraw/zinc/62/20/45/1329622045.db2.gz WFTLPPXJMQHZFK-UHFFFAOYSA-N 1 1 334.427 2.757 20 10 EFCDMO CCOc1ccc2c(c1)C[N@H+](Cc1cc3c(cc1O)OC[C@H]3O)CC2 ZINC001324716452 1329653537 /nfs/dbraw/zinc/65/35/37/1329653537.db2.gz KIHMCOUWOHXNCN-LJQANCHMSA-N 1 1 341.407 2.775 20 10 EFCDMO CN(Cc1nccs1)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001324747515 1329655689 /nfs/dbraw/zinc/65/56/89/1329655689.db2.gz ZRUZKOFCVQOFTO-UHFFFAOYSA-N 1 1 334.464 2.666 20 10 EFCDMO CCCc1nnc(NCc2ccc(N3CC[NH+](C)CC3)c(F)c2)s1 ZINC001324979225 1329665057 /nfs/dbraw/zinc/66/50/57/1329665057.db2.gz MYAAIMVUNXFWRM-UHFFFAOYSA-N 1 1 349.479 2.994 20 10 EFCDMO C[NH+]1CCN(c2ccc(CNc3cccc(CO)c3)cc2F)CC1 ZINC001326218938 1329739509 /nfs/dbraw/zinc/73/95/09/1329739509.db2.gz LDPQLYSOZNSBSW-UHFFFAOYSA-N 1 1 329.419 2.682 20 10 EFCDMO COC[C@H]1CCCC[N@H+]1Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001326450676 1329757803 /nfs/dbraw/zinc/75/78/03/1329757803.db2.gz AXHXKSICNMDWEQ-QGZVFWFLSA-N 1 1 335.467 2.578 20 10 EFCDMO CC[C@H]1C[N@@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)CCCO1 ZINC001326996681 1330396728 /nfs/dbraw/zinc/39/67/28/1330396728.db2.gz KWGCYCCPVGTNEH-KRWDZBQOSA-N 1 1 335.467 2.578 20 10 EFCDMO CCCC[N@@H+](CCCO)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001327437897 1330478344 /nfs/dbraw/zinc/47/83/44/1330478344.db2.gz XYGUSFXRAMNKMX-UHFFFAOYSA-N 1 1 337.483 2.562 20 10 EFCDMO COCC[N@@H+](Cc1ccc(N2CCCC2)cc1)C[C@@H](O)C(F)(F)F ZINC001329104811 1330667506 /nfs/dbraw/zinc/66/75/06/1330667506.db2.gz MHDBFPNWLUCWTC-MRXNPFEDSA-N 1 1 346.393 2.658 20 10 EFCDMO COCC[N@H+](Cc1ccc(N2CCCC2)cc1)C[C@@H](O)C(F)(F)F ZINC001329104811 1330667509 /nfs/dbraw/zinc/66/75/09/1330667509.db2.gz MHDBFPNWLUCWTC-MRXNPFEDSA-N 1 1 346.393 2.658 20 10 EFCDMO C[NH+]1CCN(c2ccc(CN3Cc4ccc(O)cc4C3)cc2F)CC1 ZINC001329530219 1330716353 /nfs/dbraw/zinc/71/63/53/1330716353.db2.gz MGQSCKYDOKBZHR-UHFFFAOYSA-N 1 1 341.430 2.799 20 10 EFCDMO C[NH+]1CCN(c2ccc(CNc3cncc(Cl)n3)cc2F)CC1 ZINC001329708291 1330729613 /nfs/dbraw/zinc/72/96/13/1330729613.db2.gz BJRDXNHNHSDCJO-UHFFFAOYSA-N 1 1 335.814 2.633 20 10 EFCDMO CN1CCN(c2ccc(C[N@H+]3CCC[C@H](C(C)(C)O)C3)cc2F)CC1 ZINC001331084169 1330793024 /nfs/dbraw/zinc/79/30/24/1330793024.db2.gz VLOZLWMNSWLJKK-KRWDZBQOSA-N 1 1 349.494 2.560 20 10 EFCDMO COCC[N@@H+]1[C@H](C)CN(Cc2ccc(N3CCCC3)cc2)C[C@@H]1C ZINC001332432412 1330971261 /nfs/dbraw/zinc/97/12/61/1330971261.db2.gz XJHVMKYHGTVYJZ-HDICACEKSA-N 1 1 331.504 2.828 20 10 EFCDMO COCCN1[C@H](C)C[N@@H+](Cc2ccc(N3CCCC3)cc2)C[C@@H]1C ZINC001332432412 1330971263 /nfs/dbraw/zinc/97/12/63/1330971263.db2.gz XJHVMKYHGTVYJZ-HDICACEKSA-N 1 1 331.504 2.828 20 10 EFCDMO COCCN1[C@H](C)C[N@H+](Cc2ccc(N3CCCC3)cc2)C[C@@H]1C ZINC001332432412 1330971265 /nfs/dbraw/zinc/97/12/65/1330971265.db2.gz XJHVMKYHGTVYJZ-HDICACEKSA-N 1 1 331.504 2.828 20 10 EFCDMO C[NH+]1CCN(c2ccc(CNc3nnc(C4CCC4)o3)cc2F)CC1 ZINC001334101128 1331248921 /nfs/dbraw/zinc/24/89/21/1331248921.db2.gz SNVRXDBDFLKPAH-UHFFFAOYSA-N 1 1 345.422 2.840 20 10 EFCDMO CN(C)c1cc(F)c(C[NH2+]C(C)(C)C(=O)N2CCCC2)cc1F ZINC001336978707 1331523610 /nfs/dbraw/zinc/52/36/10/1331523610.db2.gz VGLHYOIUVPDMOU-UHFFFAOYSA-N 1 1 325.403 2.521 20 10 EFCDMO C[C@H]1C[C@H](NC(=O)NCc2ccc(N)cc2)C[N@H+]1Cc1ccccc1 ZINC001337016631 1331527918 /nfs/dbraw/zinc/52/79/18/1331527918.db2.gz RVGVSPGZZVOEJO-KXBFYZLASA-N 1 1 338.455 2.731 20 10 EFCDMO COc1cc(C)cc(C[N@H+]2CCC[C@@H](Cc3nccn3C)C2)c1O ZINC001338250121 1331679460 /nfs/dbraw/zinc/67/94/60/1331679460.db2.gz KAQVCFPTJPYIPC-HNNXBMFYSA-N 1 1 329.444 2.897 20 10 EFCDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)NCc1ccc(N)cc1 ZINC001338580605 1331717837 /nfs/dbraw/zinc/71/78/37/1331717837.db2.gz AUPSQVBNZKDCRA-HNAYVOBHSA-N 1 1 338.455 2.589 20 10 EFCDMO C[C@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001338734680 1331731212 /nfs/dbraw/zinc/73/12/12/1331731212.db2.gz FDCFWCYZCZDPGM-GUXCAODWSA-N 1 1 349.494 2.559 20 10 EFCDMO C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NCc3ccc(N(C)C)c(F)c3)C[N@H+]2C1 ZINC001346375489 1332631799 /nfs/dbraw/zinc/63/17/99/1332631799.db2.gz RMKCHDWVLLQJDO-BMFZPTHFSA-N 1 1 333.451 2.628 20 10 EFCDMO [NH3+]C1CC2(C1)CC(NC(=O)NCc1cc(Cl)cc(Cl)c1O)C2 ZINC001346725123 1332678419 /nfs/dbraw/zinc/67/84/19/1332678419.db2.gz MWBARYAHAACELW-UHFFFAOYSA-N 1 1 344.242 2.768 20 10 EFCDMO CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1c([O-])cccc1Br ZINC001348089192 1332799070 /nfs/dbraw/zinc/79/90/70/1332799070.db2.gz FZHZZSZYMHONGB-GFCCVEGCSA-N 1 1 345.281 2.601 20 10 EFCDMO C[C@H]1C[C@H]1c1nnc(NCc2ccc(N3CC[NH+](C)CC3)c(F)c2)o1 ZINC001348524508 1332845261 /nfs/dbraw/zinc/84/52/61/1332845261.db2.gz FBTRCUDPCKYLHT-GXTWGEPZSA-N 1 1 345.422 2.696 20 10 EFCDMO CCC[N@H+]1CCCC[C@@H]1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC001349448363 1332954807 /nfs/dbraw/zinc/95/48/07/1332954807.db2.gz ZDVUDLUDILJCPY-QGZVFWFLSA-N 1 1 331.460 2.743 20 10 EFCDMO Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000847318484 1333541272 /nfs/dbraw/zinc/54/12/72/1333541272.db2.gz KDUDGXBYEIXHEG-MOPGFXCFSA-N 1 1 344.503 2.877 20 10 EFCDMO COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000847443899 1333725859 /nfs/dbraw/zinc/72/58/59/1333725859.db2.gz FYZCXCDBTADPHC-RRQGHBQHSA-N 1 1 347.459 2.778 20 10 EFCDMO Nc1ccc(C[NH+]2CCN(C(=O)Cc3ccccc3Cl)CC2)cc1 ZINC001352790142 1333730955 /nfs/dbraw/zinc/73/09/55/1333730955.db2.gz PDOFMOXTFFMXGJ-UHFFFAOYSA-N 1 1 343.858 2.809 20 10 EFCDMO COc1cccc(CNC(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)c1O ZINC000847589094 1333958794 /nfs/dbraw/zinc/95/87/94/1333958794.db2.gz DXXBITCVPYQCMQ-MRXNPFEDSA-N 1 1 348.830 2.973 20 10 EFCDMO CCc1cccc(C[N@H+]2CCC[C@@H]2C(=O)NCc2ccco2)c1O ZINC000848881402 1334958431 /nfs/dbraw/zinc/95/84/31/1334958431.db2.gz OKAFPJYWKSWZDP-QGZVFWFLSA-N 1 1 328.412 2.828 20 10 EFCDMO CCc1cccc(C[NH+]2CCN(C(=O)c3ccsc3)CC2)c1O ZINC000848881928 1334958531 /nfs/dbraw/zinc/95/85/31/1334958531.db2.gz KWJRFWVPMYELTK-UHFFFAOYSA-N 1 1 330.453 2.974 20 10 EFCDMO CCc1cccc(C[N@H+]2CCCN(c3nc(C)ns3)CC2)c1O ZINC000848890729 1334964346 /nfs/dbraw/zinc/96/43/46/1334964346.db2.gz UNNNABFLVCPPGE-UHFFFAOYSA-N 1 1 332.473 2.827 20 10 EFCDMO C[C@H](O)C[N@@H+](Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C1CC1 ZINC000848929143 1334993828 /nfs/dbraw/zinc/99/38/28/1334993828.db2.gz TYFDBVBXPCNRAO-AWEZNQCLSA-N 1 1 333.432 2.930 20 10 EFCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000848930058 1334995020 /nfs/dbraw/zinc/99/50/20/1334995020.db2.gz NECCZDVQOOAXSE-LJQANCHMSA-N 1 1 331.504 2.748 20 10 EFCDMO CCN(CC)c1ccc(CNC(=O)[C@@H]2[NH2+]CCc3occc32)cc1 ZINC001357361219 1335305068 /nfs/dbraw/zinc/30/50/68/1335305068.db2.gz FYLVQKMCCJHGDG-GOSISDBHSA-N 1 1 327.428 2.629 20 10 EFCDMO COc1cccc(CN[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)c1O ZINC000849349601 1335596764 /nfs/dbraw/zinc/59/67/64/1335596764.db2.gz BWTFHENYVJNSQX-IAGOWNOFSA-N 1 1 330.403 2.775 20 10 EFCDMO COc1ccc(O)c(CN[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c1 ZINC000849350481 1335596900 /nfs/dbraw/zinc/59/69/00/1335596900.db2.gz YTRQELRUAKXFNG-QZTJIDSGSA-N 1 1 330.403 2.775 20 10 EFCDMO COCC[C@@H]1COCCN1Cc1cc(C)cc(Br)c1[O-] ZINC000812786773 713481558 /nfs/dbraw/zinc/48/15/58/713481558.db2.gz RCYIQEPNMBZTQQ-CYBMUJFWSA-N 1 1 344.249 2.700 20 10 EFCDMO COC(=O)CC[N@@H+](Cc1cc2c(cc1O)CCCC2)C1CCOCC1 ZINC000160324684 713833616 /nfs/dbraw/zinc/83/36/16/713833616.db2.gz LXAHMVGEDKJSTI-UHFFFAOYSA-N 1 1 347.455 2.815 20 10 EFCDMO Oc1cc2c(cc1C[N@H+]1CCC[C@H](Cn3ccnn3)C1)CCCC2 ZINC000160474101 714167018 /nfs/dbraw/zinc/16/70/18/714167018.db2.gz SNSRRIGDTDTCCF-HNNXBMFYSA-N 1 1 326.444 2.775 20 10 EFCDMO COc1cc(C[N@@H+]2CCN(CC(F)(F)F)[C@H](C)C2)c(O)cc1C ZINC000160514312 714247312 /nfs/dbraw/zinc/24/73/12/714247312.db2.gz VBQUFDSTOYVRMJ-GFCCVEGCSA-N 1 1 332.366 2.778 20 10 EFCDMO COc1cc(C[N@H+]2CCN(CC(F)(F)F)[C@H](C)C2)c(O)cc1C ZINC000160514312 714247314 /nfs/dbraw/zinc/24/73/14/714247314.db2.gz VBQUFDSTOYVRMJ-GFCCVEGCSA-N 1 1 332.366 2.778 20 10 EFCDMO CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001021740030 714403795 /nfs/dbraw/zinc/40/37/95/714403795.db2.gz QKEGQRRLOHPLEV-GDBMZVCRSA-N 1 1 343.431 2.795 20 10 EFCDMO COc1ccc(C[N@@H+]2CCO[C@@H](c3ccccc3)C2)c(O)c1OC ZINC000891563830 714825192 /nfs/dbraw/zinc/82/51/92/714825192.db2.gz GPNAOJDKMRXSTM-QGZVFWFLSA-N 1 1 329.396 2.983 20 10 EFCDMO COc1ccc(C[N@H+]2CCO[C@@H](c3ccccc3)C2)c(O)c1OC ZINC000891563830 714825196 /nfs/dbraw/zinc/82/51/96/714825196.db2.gz GPNAOJDKMRXSTM-QGZVFWFLSA-N 1 1 329.396 2.983 20 10 EFCDMO COc1ccc(C[N@@H+](C)Cc2ccc(OC)c(OC)c2O)cc1O ZINC000891780642 715013005 /nfs/dbraw/zinc/01/30/05/715013005.db2.gz AWARTGSMEJVRAE-UHFFFAOYSA-N 1 1 333.384 2.756 20 10 EFCDMO C[C@H]1CCC[N@H+]1CCNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000891999391 715215582 /nfs/dbraw/zinc/21/55/82/715215582.db2.gz CCBMQAXMRGTXTQ-INIZCTEOSA-N 1 1 330.476 2.570 20 10 EFCDMO CN(C(=O)NCc1ccc(N2CCCC2)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC000891999390 715215651 /nfs/dbraw/zinc/21/56/51/715215651.db2.gz CBTQZFWJUGDDOL-SFHVURJKSA-N 1 1 330.476 2.522 20 10 EFCDMO COc1ccc(C[N@@H+]2CCC[C@H]2C(=O)OC(C)(C)C)c(O)c1OC ZINC000892208245 715341638 /nfs/dbraw/zinc/34/16/38/715341638.db2.gz 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/nfs/dbraw/zinc/88/96/74/726889674.db2.gz WNBJGUZRGNFAKI-UHFFFAOYSA-N 1 1 343.471 2.792 20 10 EFCDMO O=C1CCCN1[C@H]1CCC[N@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000732186735 727002048 /nfs/dbraw/zinc/00/20/48/727002048.db2.gz ZABVCFZQJXACPF-HNNXBMFYSA-N 1 1 325.412 2.527 20 10 EFCDMO O=C(NCC1([NH+]2CCSCC2)CCCC1)C1=CC(=O)CS1 ZINC000732270689 727012907 /nfs/dbraw/zinc/01/29/07/727012907.db2.gz ZEJIWQSBZZVYDJ-UHFFFAOYSA-N 1 1 326.487 2.545 20 10 EFCDMO C[N@@H+](CC(=O)Nc1c(-c2ccccn2)nc2ccccn21)C1CCC1 ZINC000908275159 727148577 /nfs/dbraw/zinc/14/85/77/727148577.db2.gz LHIKQZHCHFNZQL-UHFFFAOYSA-N 1 1 335.411 2.819 20 10 EFCDMO CCN(CC)C(=O)C[N@H+](C)Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000916568238 727698516 /nfs/dbraw/zinc/69/85/16/727698516.db2.gz ZEFXMHNQCUNPLO-UHFFFAOYSA-N 1 1 336.476 2.999 20 10 EFCDMO CCN(CC)C(=O)C[N@@H+](C)Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000916568238 727698517 /nfs/dbraw/zinc/69/85/17/727698517.db2.gz ZEFXMHNQCUNPLO-UHFFFAOYSA-N 1 1 336.476 2.999 20 10 EFCDMO C[C@H]1[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CCC[N@H+]1CCCF ZINC000994497769 727772096 /nfs/dbraw/zinc/77/20/96/727772096.db2.gz RENZGSUYHWOCRB-SWLSCSKDSA-N 1 1 349.410 2.791 20 10 EFCDMO CCCC(=O)NC[C@H]1CCC[N@@H+](Cc2cc(C)cc(OC)c2O)C1 ZINC000164265214 727923777 /nfs/dbraw/zinc/92/37/77/727923777.db2.gz TXAPJXCXBVJZJP-OAHLLOKOSA-N 1 1 334.460 2.838 20 10 EFCDMO COc1cc(C)cc(C[N@H+]2CCC[C@@H](CNC(=O)C(C)C)C2)c1O ZINC000164263938 727923928 /nfs/dbraw/zinc/92/39/28/727923928.db2.gz YKZXDSNRSWXSMY-HNNXBMFYSA-N 1 1 334.460 2.693 20 10 EFCDMO COc1cc(C)cc(C[NH+]2CCN(Cc3nc(C)c(C)o3)CC2)c1O ZINC000164284336 727932954 /nfs/dbraw/zinc/93/29/54/727932954.db2.gz YJKPRJPNNHAMFY-UHFFFAOYSA-N 1 1 345.443 2.632 20 10 EFCDMO COc1cc(C)cc(C[NH+]2CCN([C@H](C)C(F)(F)F)CC2)c1O ZINC000164457494 727947296 /nfs/dbraw/zinc/94/72/96/727947296.db2.gz JIUNGNKJWQRIGD-GFCCVEGCSA-N 1 1 332.366 2.778 20 10 EFCDMO C[C@@H](N[C@@H]1CC[N@H+](CC2CC2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000157817270 728217320 /nfs/dbraw/zinc/21/73/20/728217320.db2.gz KOIMLMIWNSOXAW-CRAIPNDOSA-N 1 1 347.478 2.797 20 10 EFCDMO C[C@@H](N[C@@H]1CC[N@@H+](CC2CC2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000157817270 728217321 /nfs/dbraw/zinc/21/73/21/728217321.db2.gz KOIMLMIWNSOXAW-CRAIPNDOSA-N 1 1 347.478 2.797 20 10 EFCDMO C[C@@H]([NH2+]C[C@H]1CCCN(C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000158257225 728326533 /nfs/dbraw/zinc/32/65/33/728326533.db2.gz JCZMEXBCGTYKEH-HZPDHXFCSA-N 1 1 335.467 2.655 20 10 EFCDMO COc1ccc(O)c([C@H](C)NC(=O)NC[C@H](C)Cn2cc[nH+]c2C)c1 ZINC000171436578 728534274 /nfs/dbraw/zinc/53/42/74/728534274.db2.gz NVSIEKSMUJWBFX-STQMWFEESA-N 1 1 346.431 2.602 20 10 EFCDMO CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CCC[C@@H](C3OCCO3)C2)c1 ZINC000172491582 728593031 /nfs/dbraw/zinc/59/30/31/728593031.db2.gz XXRXYGJABTXCNA-CYBMUJFWSA-N 1 1 335.444 2.980 20 10 EFCDMO CCC[C@@H]1CC(=O)N(C[N@@H+]2CCCN(c3ccc(OC)cc3)CC2)C1 ZINC000173313112 728622319 /nfs/dbraw/zinc/62/23/19/728622319.db2.gz JVWBBGJLQCSBPX-QGZVFWFLSA-N 1 1 345.487 2.813 20 10 EFCDMO CCC[C@@H]1CC(=O)N(C[N@H+]2CCCN(c3ccc(OC)cc3)CC2)C1 ZINC000173313112 728622321 /nfs/dbraw/zinc/62/23/21/728622321.db2.gz JVWBBGJLQCSBPX-QGZVFWFLSA-N 1 1 345.487 2.813 20 10 EFCDMO CCCNC(=O)[C@H](C)[N@@H+](CC)Cc1cc(Br)ccc1O ZINC000174425204 728664567 /nfs/dbraw/zinc/66/45/67/728664567.db2.gz TUHWWZHMHCTFFO-NSHDSACASA-N 1 1 343.265 2.891 20 10 EFCDMO CC[C@@H](C)NC(=O)C[N@@H+](CC)Cc1cc(Br)ccc1O ZINC000174423038 728664618 /nfs/dbraw/zinc/66/46/18/728664618.db2.gz GLQPLCARZUSBCU-LLVKDONJSA-N 1 1 343.265 2.891 20 10 EFCDMO CCCCNC(=O)C[N@@H+](CC)Cc1cc(Br)ccc1O ZINC000174422687 728664624 /nfs/dbraw/zinc/66/46/24/728664624.db2.gz JBUMBACCSGQGJG-UHFFFAOYSA-N 1 1 343.265 2.893 20 10 EFCDMO Cc1cc(C(=O)NCC[N@@H+]2CCC[C@H](C)C2)c(C)n1-c1ccccn1 ZINC000919966732 729119628 /nfs/dbraw/zinc/11/96/28/729119628.db2.gz AEVVRFIMZTUSAQ-HNNXBMFYSA-N 1 1 340.471 2.951 20 10 EFCDMO CC(C)[C@H](C(=O)NCc1ccc(N(C)C)cc1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000921202825 729270617 /nfs/dbraw/zinc/27/06/17/729270617.db2.gz GXVLFSJLZJQKNB-GPMSIDNRSA-N 1 1 347.503 2.503 20 10 EFCDMO CCC[N@@H+](CC)CCNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000175313914 729494092 /nfs/dbraw/zinc/49/40/92/729494092.db2.gz YFDINUICMGGTFP-UHFFFAOYSA-N 1 1 332.492 2.818 20 10 EFCDMO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1cccc(Br)c1O ZINC000179893171 729643893 /nfs/dbraw/zinc/64/38/93/729643893.db2.gz ZUPDMVXMJXDGBW-NSHDSACASA-N 1 1 328.206 2.682 20 10 EFCDMO COC(=O)C[C@@H]1CCC[N@H+]1Cc1cccc(Br)c1O ZINC000179893171 729643895 /nfs/dbraw/zinc/64/38/95/729643895.db2.gz ZUPDMVXMJXDGBW-NSHDSACASA-N 1 1 328.206 2.682 20 10 EFCDMO COc1ccc(N2CC[NH+](Cc3cccc4nccn43)CC2)cc1F ZINC000180706011 729764825 /nfs/dbraw/zinc/76/48/25/729764825.db2.gz IJQKBVOTUXQGLI-UHFFFAOYSA-N 1 1 340.402 2.804 20 10 EFCDMO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2cc(F)cc(F)c2O)cc1 ZINC000883204320 1126125053 /nfs/dbraw/zinc/12/50/53/1126125053.db2.gz XXHQSZIOSPVNKK-SFHVURJKSA-N 1 1 337.366 2.762 20 10 EFCDMO C/C(=C\C(=O)N1C[C@H](C)[NH2+]Cc2ccc(F)cc21)c1cnccn1 ZINC001574969368 1088177668 /nfs/dbraw/zinc/17/76/68/1088177668.db2.gz GWYLGOAYCRXDFI-WHGQRRHOSA-N 1 1 326.375 2.544 20 10 EFCDMO CCCOc1ccc(C[NH2+][C@@H]2CCCN(Cc3c[nH]nn3)C2)cc1C ZINC001576490337 1089294279 /nfs/dbraw/zinc/29/42/79/1089294279.db2.gz UGBUKJPYZQCENH-QGZVFWFLSA-N 1 1 343.475 2.656 20 10 EFCDMO CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@@H]1[NH2+]CCc2occc21 ZINC001578489677 1090384139 /nfs/dbraw/zinc/38/41/39/1090384139.db2.gz FWFVTQAZOMCOEQ-LJQANCHMSA-N 1 1 339.439 2.725 20 10 EFCDMO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3cc(Cl)c(F)cc3[O-])C2)C1 ZINC001580201191 1090808020 /nfs/dbraw/zinc/80/80/20/1090808020.db2.gz XIMBYKUUDMBNEJ-CJBNDPTMSA-N 1 1 342.842 2.903 20 10 EFCDMO COc1cccc(C[N@@H+](C)[C@@H](C)c2cccc(-c3nn[nH]n3)c2)c1O ZINC001591638233 1093811553 /nfs/dbraw/zinc/81/15/53/1093811553.db2.gz OZAGWDHKISHOKE-LBPRGKRZSA-N 1 1 339.399 2.774 20 10 EFCDMO COC(=O)N1CCC[N@H+](Cc2ccc(N(C)C)cc2Cl)CC1 ZINC001140922316 1094608621 /nfs/dbraw/zinc/60/86/21/1094608621.db2.gz NXCFLNQDSKGESV-UHFFFAOYSA-N 1 1 325.840 2.680 20 10 EFCDMO COC(=O)N1CCC[N@@H+](Cc2ccc(N(C)C)cc2Cl)CC1 ZINC001140922316 1094608630 /nfs/dbraw/zinc/60/86/30/1094608630.db2.gz NXCFLNQDSKGESV-UHFFFAOYSA-N 1 1 325.840 2.680 20 10 EFCDMO O=C(c1cccc(O)c1O)N1CCC[C@]2(CC[N@H+](C3CCCC3)C2)C1 ZINC001269608108 1098286401 /nfs/dbraw/zinc/28/64/01/1098286401.db2.gz UEEDRQGTEIHVAF-HXUWFJFHSA-N 1 1 344.455 2.969 20 10 EFCDMO O=C(/C=C/c1ccc(O)c(O)c1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCCC1 ZINC001270703324 1099462527 /nfs/dbraw/zinc/46/25/27/1099462527.db2.gz JTLPPYQWSPRIKW-CHAYFFTQSA-N 1 1 342.439 2.729 20 10 EFCDMO CN(C)c1ccc(CNC(=O)NCC[N@@H+](C)C2CCCC2)cc1F ZINC000729506839 1099975992 /nfs/dbraw/zinc/97/59/92/1099975992.db2.gz SRVGFZIRXJRRMT-UHFFFAOYSA-N 1 1 336.455 2.565 20 10 EFCDMO Oc1cc(O)c(CCNc2[nH+]cccc2C2CCOCC2)cc1O ZINC001168010076 1100253629 /nfs/dbraw/zinc/25/36/29/1100253629.db2.gz QFPAENPKOHHILZ-UHFFFAOYSA-N 1 1 330.384 2.747 20 10 EFCDMO CN(C)c1ccc(/C=C/C(=O)N2CCC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC001270931348 1100279553 /nfs/dbraw/zinc/27/95/53/1100279553.db2.gz HLLHBRDLPVDTHZ-OSICKASQSA-N 1 1 327.472 2.710 20 10 EFCDMO CN(C)C(=O)N[C@H]1CCC[N@@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000840145756 1100848032 /nfs/dbraw/zinc/84/80/32/1100848032.db2.gz FXPZWRZWGVLWMM-HNNXBMFYSA-N 1 1 349.475 2.631 20 10 EFCDMO Cc1nc2ccc(NCc3ccc(N4CC[NH+](C)CC4)cc3)nc2[nH]1 ZINC001167434683 1101663776 /nfs/dbraw/zinc/66/37/76/1101663776.db2.gz RVNFWFDXHKTARE-UHFFFAOYSA-N 1 1 336.443 2.630 20 10 EFCDMO CN1CCN(c2ccc(CNc3cccc4c3CC[C@@H]4[NH3+])cc2)CC1 ZINC001167436949 1101712807 /nfs/dbraw/zinc/71/28/07/1101712807.db2.gz IHQAYFTYAGEBPL-FQEVSTJZSA-N 1 1 336.483 2.997 20 10 EFCDMO Oc1cccc(Br)c1CN1CCC[N@H+]2CCC[C@@H]2C1 ZINC000707166035 1102232374 /nfs/dbraw/zinc/23/23/74/1102232374.db2.gz NLHKRSDWARTBIV-GFCCVEGCSA-N 1 1 325.250 2.825 20 10 EFCDMO CCc1ncc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)cn1 ZINC000840907066 1102412783 /nfs/dbraw/zinc/41/27/83/1102412783.db2.gz AAVQBHXZVWLHPN-KRWDZBQOSA-N 1 1 327.428 2.926 20 10 EFCDMO Cc1cccc([C@@H](O)C[NH2+]Cc2ccc(N3CCN(C)CC3)cc2)c1 ZINC000905428469 1103188098 /nfs/dbraw/zinc/18/80/98/1103188098.db2.gz UKOXTUGAZOBHIR-NRFANRHFSA-N 1 1 339.483 2.570 20 10 EFCDMO COC(=O)C[C@@H]([NH2+]Cc1ccc(N2CCN(C)CC2)cc1)C(C)(C)C ZINC000897888439 1106132255 /nfs/dbraw/zinc/13/22/55/1106132255.db2.gz BBTDDISPINOHKL-GOSISDBHSA-N 1 1 347.503 2.506 20 10 EFCDMO COc1ccc(C[N@@H+](CCCO)Cc2cccc(OC)c2O)cc1 ZINC000898172592 1106259428 /nfs/dbraw/zinc/25/94/28/1106259428.db2.gz QCHJJAOXOUDQHP-UHFFFAOYSA-N 1 1 331.412 2.794 20 10 EFCDMO COc1c(O)c(C[NH2+][C@@H](c2ccncc2)C2CC2)ccc1[N+](=O)[O-] ZINC000898323128 1106309171 /nfs/dbraw/zinc/30/91/71/1106309171.db2.gz YAPXPJBFGZOSTC-OAHLLOKOSA-N 1 1 329.356 2.945 20 10 EFCDMO NC(=O)N=Nc1ccc(C(=O)N2CCC[N@@H+](CCC3CC3)CC2)cc1 ZINC000989760844 1106627593 /nfs/dbraw/zinc/62/75/93/1106627593.db2.gz FRYRNBHKOKGZJQ-UHFFFAOYSA-N 1 1 343.431 2.797 20 10 EFCDMO C[C@@H]1[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CC[N@H+]1CC1CCC1 ZINC001089068201 1107403623 /nfs/dbraw/zinc/40/36/23/1107403623.db2.gz RSWBKRPTCOLULD-WBMJQRKESA-N 1 1 343.431 2.842 20 10 EFCDMO C[C@@H]([NH2+]CCc1ccccc1S(C)(=O)=O)c1c(O)cccc1F ZINC000926906006 1107721702 /nfs/dbraw/zinc/72/17/02/1107721702.db2.gz QDBLYTDPVPRVHU-GFCCVEGCSA-N 1 1 337.416 2.828 20 10 EFCDMO O=C1N(C2CCCC2)CC[C@@]12CCC[N@@H+]2Cc1cc(O)ccc1O ZINC001272386597 1108150935 /nfs/dbraw/zinc/15/09/35/1108150935.db2.gz NXTSFVHARIXLMH-IBGZPJMESA-N 1 1 330.428 2.607 20 10 EFCDMO CC[C@H](C)[N@@H+](C)CCNC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000176456012 1108600344 /nfs/dbraw/zinc/60/03/44/1108600344.db2.gz BPGUVRWZQPTCJL-AWEZNQCLSA-N 1 1 333.476 2.801 20 10 EFCDMO Oc1c(Br)cccc1C[NH2+][C@H]1Cc2ccccc2[C@@H]1O ZINC000898392446 1108907569 /nfs/dbraw/zinc/90/75/69/1108907569.db2.gz GNDYUJLECDSPGN-HOCLYGCPSA-N 1 1 334.213 2.903 20 10 EFCDMO CN(C)c1ccc([C@H](C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)N(C)C)cc1 ZINC000898450138 1108943701 /nfs/dbraw/zinc/94/37/01/1108943701.db2.gz OGYWDEGGMCDWRT-SXLOBPIMSA-N 1 1 330.520 2.572 20 10 EFCDMO CN(C)c1ccc([C@H](C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)N(C)C)cc1 ZINC000898450138 1108943709 /nfs/dbraw/zinc/94/37/09/1108943709.db2.gz OGYWDEGGMCDWRT-SXLOBPIMSA-N 1 1 330.520 2.572 20 10 EFCDMO CN1C[C@H](c2ccccc2)[C@]2(CC[N@@H+](Cc3ccccc3O)C2)C1=O ZINC001272618649 1111753038 /nfs/dbraw/zinc/75/30/38/1111753038.db2.gz LEIGCXMCSMTKLM-WIYYLYMNSA-N 1 1 336.435 2.840 20 10 EFCDMO CC[C@H](C)N1C(=O)C[C@]2(CCC[N@@H+](Cc3ccccc3O)C2)C1=O ZINC001272618629 1111753299 /nfs/dbraw/zinc/75/32/99/1111753299.db2.gz KTFGUXZCAROIEH-LIRRHRJNSA-N 1 1 330.428 2.532 20 10 EFCDMO O=C1N(CC(F)(F)F)CC[C@]12CCC[N@@H+]2Cc1ccccc1O ZINC001272618707 1111754210 /nfs/dbraw/zinc/75/42/10/1111754210.db2.gz NNCBRTHFJISIFK-OAHLLOKOSA-N 1 1 328.334 2.521 20 10 EFCDMO CC[C@@H](C)N1C[C@]2(CC1=O)COCC[N@@H+](Cc1cc(C)ccc1O)C2 ZINC001272623220 1111760064 /nfs/dbraw/zinc/76/00/64/1111760064.db2.gz XWWQWEIXEDAWAG-OXQOHEQNSA-N 1 1 346.471 2.550 20 10 EFCDMO CC[C@@H](C)N1CC[C@@]2(CCC[N@H+]2Cc2cccc(OC)c2O)C1=O ZINC001272622738 1111760250 /nfs/dbraw/zinc/76/02/50/1111760250.db2.gz QILOGPLXMVGMNN-KUHUBIRLSA-N 1 1 332.444 2.766 20 10 EFCDMO COc1ccc(C[N@H+]2CCC[C@@]23CCN(CC(C)C)C3=O)c(O)c1 ZINC001272626438 1111767140 /nfs/dbraw/zinc/76/71/40/1111767140.db2.gz XBYFAAKFWBUSDT-IBGZPJMESA-N 1 1 332.444 2.624 20 10 EFCDMO COc1ccc(C[N@H+]2CCC[C@]23CCN(C2CCCC2)C3=O)c(O)c1 ZINC001272626349 1111768629 /nfs/dbraw/zinc/76/86/29/1111768629.db2.gz WIUBSHGFZAPUKK-HXUWFJFHSA-N 1 1 344.455 2.910 20 10 EFCDMO CC[C@H](C)N1CC[C@@]2(CCC[N@H+]2Cc2cc(OC)ccc2O)C1=O ZINC001272637755 1111788233 /nfs/dbraw/zinc/78/82/33/1111788233.db2.gz NANKNLCTCGFHEC-LIRRHRJNSA-N 1 1 332.444 2.766 20 10 EFCDMO CC[C@@H](C)N1CC[C@@]2(CCC[N@H+]2Cc2ccc(O)c(C)c2O)C1=O ZINC001272658102 1111934818 /nfs/dbraw/zinc/93/48/18/1111934818.db2.gz VMLMNZAZSRAHPO-YJYMSZOUSA-N 1 1 332.444 2.772 20 10 EFCDMO Cc1c(O)ccc(C[N@H+]2CCC[C@]23CCN(C2CCCC2)C3=O)c1O ZINC001272660790 1111953243 /nfs/dbraw/zinc/95/32/43/1111953243.db2.gz WHPFNLAJAGFSIP-HXUWFJFHSA-N 1 1 344.455 2.916 20 10 EFCDMO Cc1c(O)ccc(C[N@H+]2CC[C@]3(CCN(C4CCCC4)C3=O)C2)c1O ZINC001272660594 1111955263 /nfs/dbraw/zinc/95/52/63/1111955263.db2.gz UAJHFYJTDVMGKL-FQEVSTJZSA-N 1 1 344.455 2.773 20 10 EFCDMO Oc1cc(Br)cc(F)c1CN1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001236093598 1112124664 /nfs/dbraw/zinc/12/46/64/1112124664.db2.gz UGWZMBCMRBIAQO-PHIMTYICSA-N 1 1 329.213 2.620 20 10 EFCDMO CCc1cc(N2CC=C(CCNC(=O)[C@@H](C)SC)CC2)nc(C)[nH+]1 ZINC001089808333 1113069784 /nfs/dbraw/zinc/06/97/84/1113069784.db2.gz CJRILXPNGBCRBY-CYBMUJFWSA-N 1 1 348.516 2.742 20 10 EFCDMO CCc1nc(N2CC=C(CCNC(=O)c3ccc[nH]3)CC2)cc(C)[nH+]1 ZINC001089812266 1113110679 /nfs/dbraw/zinc/11/06/79/1113110679.db2.gz DENAWDNKYRASST-UHFFFAOYSA-N 1 1 339.443 2.632 20 10 EFCDMO Cc1cc(N2CC=C(CCNC(=O)c3cscn3)CC2)nc(C)[nH+]1 ZINC001089812068 1113113932 /nfs/dbraw/zinc/11/39/32/1113113932.db2.gz AAKKDTPNTUNFMV-UHFFFAOYSA-N 1 1 343.456 2.507 20 10 EFCDMO C/C=C(/C)C(=O)NCCC1=CCN(c2cc(CC)[nH+]c(C)n2)CC1 ZINC001089821260 1117920899 /nfs/dbraw/zinc/92/08/99/1117920899.db2.gz VWUZKXLERQECCI-RZNTYIFUSA-N 1 1 328.460 2.956 20 10 EFCDMO CCc1nc(N2CC=C(CCNC(=O)C3CC=CC3)CC2)cc(C)[nH+]1 ZINC001089823510 1117944486 /nfs/dbraw/zinc/94/44/86/1117944486.db2.gz IQCSFZKRCVESKR-UHFFFAOYSA-N 1 1 340.471 2.956 20 10 EFCDMO Oc1cc(C[N@H+]2CCC3(C2)CCOCC3)c(O)cc1Br ZINC001236775699 1117948221 /nfs/dbraw/zinc/94/82/21/1117948221.db2.gz OZIMWIQWFSTBJF-UHFFFAOYSA-N 1 1 342.233 2.863 20 10 EFCDMO Cc1c[nH]cc1C(=O)NCCC1=CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC001089832427 1118049855 /nfs/dbraw/zinc/04/98/55/1118049855.db2.gz VAIUVMURGLIOSN-UHFFFAOYSA-N 1 1 339.443 2.687 20 10 EFCDMO Cc1cc(N2CC=C(CCNC(=O)C[C@@H]3C[C@@H]3C)CC2)nc(C)[nH+]1 ZINC001089856860 1118449754 /nfs/dbraw/zinc/44/97/54/1118449754.db2.gz IIUJEASVICTJQR-GUYCJALGSA-N 1 1 328.460 2.782 20 10 EFCDMO CC(=O)N1CCC[N@H+](Cc2cc(Br)c(C)cc2O)CC1 ZINC001237675730 1118790187 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Cc1cc(O)c(C[NH+]2CCN(C(=O)c3cccc(O)c3)CC2)cc1C ZINC000092937658 473009557 /nfs/dbraw/zinc/00/95/57/473009557.db2.gz RAWCHCLIGFGYGA-UHFFFAOYSA-N 1 1 340.423 2.673 20 10 EFCDMO CCCOc1ccc(C[N@H+](CC(N)=O)Cc2ccccc2)c(O)c1 ZINC000093358591 473093008 /nfs/dbraw/zinc/09/30/08/473093008.db2.gz URCJHFYXVUNNBI-UHFFFAOYSA-N 1 1 328.412 2.669 20 10 EFCDMO CCCOc1ccc(C[N@@H+](CC(N)=O)Cc2ccccc2)c(O)c1 ZINC000093358591 473093017 /nfs/dbraw/zinc/09/30/17/473093017.db2.gz URCJHFYXVUNNBI-UHFFFAOYSA-N 1 1 328.412 2.669 20 10 EFCDMO C[C@@H]([C@H](C)S(C)(=O)=O)[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000093420240 473105979 /nfs/dbraw/zinc/10/59/79/473105979.db2.gz PNXIDVZJYBOPIB-HOTGVXAUSA-N 1 1 338.517 2.930 20 10 EFCDMO C[C@@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000093420240 473105987 /nfs/dbraw/zinc/10/59/87/473105987.db2.gz PNXIDVZJYBOPIB-HOTGVXAUSA-N 1 1 338.517 2.930 20 10 EFCDMO CCc1noc([C@@H](C)[N@@H+]2CCCN(c3ccc(OC)cc3)CC2)n1 ZINC000052466837 473111399 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CCCOc1ccc(C[N@H+]2CCCN(C(=O)C(C)C)CC2)c(O)c1 ZINC000123596516 473162536 /nfs/dbraw/zinc/16/25/36/473162536.db2.gz XEXXNYWDUOIAHQ-UHFFFAOYSA-N 1 1 334.460 2.871 20 10 EFCDMO Cc1ccccc1CCNC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1O ZINC000111236241 473198455 /nfs/dbraw/zinc/19/84/55/473198455.db2.gz BGADNVGAEDBNML-INIZCTEOSA-N 1 1 326.440 2.880 20 10 EFCDMO C[N@H+](CC(=O)Nc1nnc(C(C)(C)C)s1)Cc1ccccc1O ZINC000137278892 473201982 /nfs/dbraw/zinc/20/19/82/473201982.db2.gz SIKJPNZBZYTQJW-UHFFFAOYSA-N 1 1 334.445 2.612 20 10 EFCDMO C[N@@H+](CC(=O)Nc1nnc(C(C)(C)C)s1)Cc1ccccc1O ZINC000137278892 473201989 /nfs/dbraw/zinc/20/19/89/473201989.db2.gz SIKJPNZBZYTQJW-UHFFFAOYSA-N 1 1 334.445 2.612 20 10 EFCDMO C[C@@H](C[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2)CN1CCN(C)CC1 ZINC000185344213 473399897 /nfs/dbraw/zinc/39/98/97/473399897.db2.gz DJXJXAFNGUUZPE-IRXDYDNUSA-N 1 1 345.531 2.805 20 10 EFCDMO CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2cc(Cl)ccc2[O-])CC1 ZINC000185344976 473401033 /nfs/dbraw/zinc/40/10/33/473401033.db2.gz 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CN(C)c1ccc(C[N@@H+](C)C[C@@H](O)COCc2ccccc2)cc1 ZINC000127475939 473617454 /nfs/dbraw/zinc/61/74/54/473617454.db2.gz XNAIPKOVQJNODW-HXUWFJFHSA-N 1 1 328.456 2.762 20 10 EFCDMO C[C@H]1C[C@H](NC(=O)NCc2c(O)ccc3c2CCCC3)C[N@H+]1C1CC1 ZINC000127564575 473626141 /nfs/dbraw/zinc/62/61/41/473626141.db2.gz OMQYQJCCZBMWKW-ZFWWWQNUSA-N 1 1 343.471 2.695 20 10 EFCDMO COc1cccc(C[N@@H+](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1O ZINC000179472724 473689541 /nfs/dbraw/zinc/68/95/41/473689541.db2.gz SXAMQJQFUPITBB-CQSZACIVSA-N 1 1 336.432 2.842 20 10 EFCDMO CC[C@H]([NH2+][C@H](C)CCN1CCN(C)CC1)c1ccc(N(C)C)cc1 ZINC000186580135 473693380 /nfs/dbraw/zinc/69/33/80/473693380.db2.gz BIQHTTMZIILWRG-XLIONFOSSA-N 1 1 332.536 2.819 20 10 EFCDMO COc1ccc(O)c(C[N@H+]2CCC[C@H](c3nnc4ccccn43)C2)c1 ZINC000179623721 473699365 /nfs/dbraw/zinc/69/93/65/473699365.db2.gz ANJDEEXKPLCTOK-AWEZNQCLSA-N 1 1 338.411 2.823 20 10 EFCDMO C[C@H](c1ccccc1)[N@@H+](CCNS(C)(=O)=O)Cc1ccccc1O ZINC000179645338 473701731 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C[N@H+]1CCN(CC[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CC1(C)C ZINC000282522708 474096722 /nfs/dbraw/zinc/09/67/22/474096722.db2.gz YJLYYYLOUWYPQJ-UHFFFAOYSA-N 1 1 346.302 2.815 20 10 EFCDMO COC(=O)[C@]1(C)C[N@@H+](Cc2cc(Cl)cc(OC)c2O)C[C@H]1C ZINC000282665227 474149280 /nfs/dbraw/zinc/14/92/80/474149280.db2.gz HBYVAWSBYSYTDF-QLJPJBMISA-N 1 1 327.808 2.685 20 10 EFCDMO CN(CC[N@@H+](C)Cc1cccc(Cl)c1[O-])C1CC[NH+](C)CC1 ZINC000289189742 474176959 /nfs/dbraw/zinc/17/69/59/474176959.db2.gz BFYKGXUOZKCOBP-UHFFFAOYSA-N 1 1 325.884 2.503 20 10 EFCDMO CN(C)c1ccc(CNC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cc1F ZINC000182524383 474196503 /nfs/dbraw/zinc/19/65/03/474196503.db2.gz STWBJCOOGUNONK-NVXWUHKLSA-N 1 1 348.466 2.517 20 10 EFCDMO O=C(NCc1ccc(O)c(O)c1)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000182536133 474201124 /nfs/dbraw/zinc/20/11/24/474201124.db2.gz PWUGMIRZMNSKRI-QGZVFWFLSA-N 1 1 340.423 2.769 20 10 EFCDMO CCNC(=O)OC[C@H]1CCCC[N@H+]1Cc1cccc(OCC)c1O ZINC000289400610 474255169 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COc1ccc(C(=O)N2CC[NH+](Cc3cccc(C)c3O)CC2)cc1 ZINC000289962545 474505479 /nfs/dbraw/zinc/50/54/79/474505479.db2.gz YOCRTVOFFDSZTB-UHFFFAOYSA-N 1 1 340.423 2.667 20 10 EFCDMO CNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1cc(Cl)cc(OC)c1O ZINC000290167629 474560688 /nfs/dbraw/zinc/56/06/88/474560688.db2.gz MNVYPKKFTJYUIZ-ZDUSSCGKSA-N 1 1 342.823 2.765 20 10 EFCDMO CCCOc1ccc(C[N@H+]2CC[C@@H](C(=O)N3CCCC3)C2)c(O)c1 ZINC000290425279 474570478 /nfs/dbraw/zinc/57/04/78/474570478.db2.gz LAWTUJZCLSVMHU-MRXNPFEDSA-N 1 1 332.444 2.625 20 10 EFCDMO C[C@H]([NH2+]C1CCN([C@@H]2CCC[C@@H]2O)CC1)c1ccc(N(C)C)cc1 ZINC000271508860 474575525 /nfs/dbraw/zinc/57/55/25/474575525.db2.gz NLRXMFDDQMUSDX-BEVDRBHNSA-N 1 1 331.504 2.781 20 10 EFCDMO CCOC(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000184679503 474582010 /nfs/dbraw/zinc/58/20/10/474582010.db2.gz VVAQDBIKVQWHMW-CYBMUJFWSA-N 1 1 342.823 2.765 20 10 EFCDMO CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000184679503 474582014 /nfs/dbraw/zinc/58/20/14/474582014.db2.gz VVAQDBIKVQWHMW-CYBMUJFWSA-N 1 1 342.823 2.765 20 10 EFCDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@@H](C3OCCO3)C2)c1O ZINC000184687358 474585297 /nfs/dbraw/zinc/58/52/97/474585297.db2.gz CUHZJVHALCTFOK-LLVKDONJSA-N 1 1 327.808 2.639 20 10 EFCDMO COc1cc(O)c(C[N@@H+](C)C[C@@H]2COc3ccccc3O2)cc1OC ZINC000271835179 474595876 /nfs/dbraw/zinc/59/58/76/474595876.db2.gz RWAUCRYGXOTEMY-CQSZACIVSA-N 1 1 345.395 2.681 20 10 EFCDMO COc1cc(O)c(C[N@H+](CC(=O)OC(C)(C)C)C(C)C)cc1OC ZINC000271874596 474597359 /nfs/dbraw/zinc/59/73/59/474597359.db2.gz SXRLIRDLMLFMBH-UHFFFAOYSA-N 1 1 339.432 2.962 20 10 EFCDMO COc1cc(O)c(C[N@@H+](CC(=O)OC(C)(C)C)C(C)C)cc1OC ZINC000271874596 474597364 /nfs/dbraw/zinc/59/73/64/474597364.db2.gz SXRLIRDLMLFMBH-UHFFFAOYSA-N 1 1 339.432 2.962 20 10 EFCDMO COc1cc(N2CC[NH+](Cc3ccc(C)o3)CC2)cc(OC)c1OC ZINC000184753530 474601372 /nfs/dbraw/zinc/60/13/72/474601372.db2.gz QULXPYKHQBDEDX-UHFFFAOYSA-N 1 1 346.427 2.936 20 10 EFCDMO COc1c(O)c(C[NH2+][C@H]2CCO[C@H](CC(C)C)C2)ccc1[N+](=O)[O-] ZINC000278304574 474606625 /nfs/dbraw/zinc/60/66/25/474606625.db2.gz DHPXTGGBDALCJB-UONOGXRCSA-N 1 1 338.404 2.992 20 10 EFCDMO Oc1cc2c(cc1C[N@H+]1CC[C@]3(C1)OCc1ccccc13)OCO2 ZINC000184812044 474612351 /nfs/dbraw/zinc/61/23/51/474612351.db2.gz HGBLTDODRDYRRF-LJQANCHMSA-N 1 1 325.364 2.752 20 10 EFCDMO C[N@H+]1CC[C@H]2CCN(C(=O)NCc3ccc(N4CCCC4)cc3)[C@@H]2C1 ZINC000272473893 474612594 /nfs/dbraw/zinc/61/25/94/474612594.db2.gz QOAICCMRXPWCBN-PKOBYXMFSA-N 1 1 342.487 2.522 20 10 EFCDMO COC(=O)c1ccc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)[nH]1 ZINC000272713901 474622905 /nfs/dbraw/zinc/62/29/05/474622905.db2.gz CFEJBFWXIHDLFO-INIZCTEOSA-N 1 1 344.411 2.688 20 10 EFCDMO COC(=O)c1ccc(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)[nH]1 ZINC000272713903 474623380 /nfs/dbraw/zinc/62/33/80/474623380.db2.gz CFEJBFWXIHDLFO-MRXNPFEDSA-N 1 1 344.411 2.688 20 10 EFCDMO COc1c(O)c(C[NH+]2CCC([C@H]3CCCO3)CC2)ccc1[N+](=O)[O-] ZINC000278407083 474635454 /nfs/dbraw/zinc/63/54/54/474635454.db2.gz PDCVEJALNIIKDI-OAHLLOKOSA-N 1 1 336.388 2.700 20 10 EFCDMO COc1c(O)c(C[NH2+]C[C@@H](C)c2nc(C)cs2)ccc1[N+](=O)[O-] ZINC000278500467 474664131 /nfs/dbraw/zinc/66/41/31/474664131.db2.gz NRXPQIRWDAHPLR-SECBINFHSA-N 1 1 337.401 2.967 20 10 EFCDMO COc1c(O)c(C[NH2+][C@H]2CCCO[C@@H]2CC(C)C)ccc1[N+](=O)[O-] ZINC000278534914 474687507 /nfs/dbraw/zinc/68/75/07/474687507.db2.gz VUFTTYMCDKRZET-DZGCQCFKSA-N 1 1 338.404 2.992 20 10 EFCDMO Cc1ccc(C(=O)Nc2nc3c(s2)C[N@H+](C(C)C)CC3)c(O)c1O ZINC000273144483 474741102 /nfs/dbraw/zinc/74/11/02/474741102.db2.gz ZGDVAYZIUFPOOR-UHFFFAOYSA-N 1 1 347.440 2.882 20 10 EFCDMO Cc1ccc(C(=O)Nc2nc3c(s2)C[N@@H+](C(C)C)CC3)c(O)c1O ZINC000273144483 474741108 /nfs/dbraw/zinc/74/11/08/474741108.db2.gz ZGDVAYZIUFPOOR-UHFFFAOYSA-N 1 1 347.440 2.882 20 10 EFCDMO CCN(CC)c1ccc(CNC(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000291938988 474763657 /nfs/dbraw/zinc/76/36/57/474763657.db2.gz MSLHSOBLQCSZBG-HXUWFJFHSA-N 1 1 344.503 2.770 20 10 EFCDMO COc1ccc(O)c(C[N@H+]2CCC[C@H](Oc3ncccc3F)C2)c1 ZINC000278721014 474796001 /nfs/dbraw/zinc/79/60/01/474796001.db2.gz QLXBVEFGEYNVBO-HNNXBMFYSA-N 1 1 332.375 2.978 20 10 EFCDMO C[C@H]1C[C@@H](NC(=O)NCc2ccccc2O)C[N@H+]1Cc1ccccc1 ZINC000268119847 474809238 /nfs/dbraw/zinc/80/92/38/474809238.db2.gz MCAGSICWWIKHRW-MAUKXSAKSA-N 1 1 339.439 2.854 20 10 EFCDMO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)nc1)c1ccc(F)cc1O ZINC000273364781 474861528 /nfs/dbraw/zinc/86/15/28/474861528.db2.gz DTZARQZQDJRMDA-CYBMUJFWSA-N 1 1 331.391 2.614 20 10 EFCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)c2cccc(F)c2)c1 ZINC000273414683 474886971 /nfs/dbraw/zinc/88/69/71/474886971.db2.gz QLXYAWBZHFRMHC-PIGZYNQJSA-N 1 1 333.359 2.702 20 10 EFCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCCc3c2cnn3C)c1 ZINC000273424964 474892174 /nfs/dbraw/zinc/89/21/74/474892174.db2.gz TUKMIQAIAXHFOI-IAQYHMDHSA-N 1 1 329.400 2.641 20 10 EFCDMO CCc1nc(CC[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)cs1 ZINC000278889876 474895956 /nfs/dbraw/zinc/89/59/56/474895956.db2.gz PMBBLTANBLTAJN-UHFFFAOYSA-N 1 1 337.401 2.660 20 10 EFCDMO COc1ccc(CC[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)cc1 ZINC000278934722 474926113 /nfs/dbraw/zinc/92/61/13/474926113.db2.gz WTMZWPGGNUSNNZ-UHFFFAOYSA-N 1 1 332.356 2.650 20 10 EFCDMO COc1c(O)c(C[NH2+]C[C@@H](C)N2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000278936857 474927844 /nfs/dbraw/zinc/92/78/44/474927844.db2.gz XBMABBWZLRUBFL-CYBMUJFWSA-N 1 1 337.420 2.519 20 10 EFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H](CO)Cc2ccc(F)cc2)c1 ZINC000273500898 474932692 /nfs/dbraw/zinc/93/26/92/474932692.db2.gz QAWVTXHORCUFMC-LRDDRELGSA-N 1 1 347.386 2.572 20 10 EFCDMO CN(C)c1ccc(C[N@H+](C)Cc2cnc(C3OCCO3)s2)cc1 ZINC000279079539 474959402 /nfs/dbraw/zinc/95/94/02/474959402.db2.gz SMAYZOCNRNMBLR-UHFFFAOYSA-N 1 1 333.457 2.887 20 10 EFCDMO CN(C)c1ccc(C[N@@H+](C)Cc2cnc(C3OCCO3)s2)cc1 ZINC000279079539 474959412 /nfs/dbraw/zinc/95/94/12/474959412.db2.gz SMAYZOCNRNMBLR-UHFFFAOYSA-N 1 1 333.457 2.887 20 10 EFCDMO CCN1CCN(C[C@H](C)C[NH2+][C@H](C)c2ccc(C)c(C)c2O)CC1 ZINC000273563858 474964633 /nfs/dbraw/zinc/96/46/33/474964633.db2.gz IXVIIHVLBBVLGH-CRAIPNDOSA-N 1 1 333.520 2.933 20 10 EFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)c2ccccc2C)c1 ZINC000273577859 474972539 /nfs/dbraw/zinc/97/25/39/474972539.db2.gz MBGIJMUGSIURDN-SCLBCKFNSA-N 1 1 329.396 2.871 20 10 EFCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)c2ccccc2C)c1 ZINC000273577856 474972642 /nfs/dbraw/zinc/97/26/42/474972642.db2.gz MBGIJMUGSIURDN-FZKQIMNGSA-N 1 1 329.396 2.871 20 10 EFCDMO CCn1cnnc1C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000279785524 474992454 /nfs/dbraw/zinc/99/24/54/474992454.db2.gz CIXCMOPRBHAECL-UHFFFAOYSA-N 1 1 327.354 2.673 20 10 EFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H](C)COCC(F)(F)F)c1 ZINC000273619891 474995463 /nfs/dbraw/zinc/99/54/63/474995463.db2.gz YRLNWURKGXKRNR-UWVGGRQHSA-N 1 1 335.322 2.797 20 10 EFCDMO Cc1nc(CC[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)n[nH]1 ZINC000280258839 475016771 /nfs/dbraw/zinc/01/67/71/475016771.db2.gz LEMKNHUJRIPGQZ-UHFFFAOYSA-N 1 1 327.354 2.530 20 10 EFCDMO Cc1nnc(CC[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)[nH]1 ZINC000280258839 475016779 /nfs/dbraw/zinc/01/67/79/475016779.db2.gz LEMKNHUJRIPGQZ-UHFFFAOYSA-N 1 1 327.354 2.530 20 10 EFCDMO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)C[C@@H](O)COCC(F)(F)F ZINC000292433383 475023913 /nfs/dbraw/zinc/02/39/13/475023913.db2.gz LWQISIJKUCEWGR-MRXNPFEDSA-N 1 1 348.409 2.903 20 10 EFCDMO COc1cc(Cl)cc(C[N@@H+]2C[C@@H](C)OC3(CCOCC3)C2)c1O ZINC000280465598 475027703 /nfs/dbraw/zinc/02/77/03/475027703.db2.gz MSANDCGRQDXZQU-GFCCVEGCSA-N 1 1 341.835 2.824 20 10 EFCDMO COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC000293555023 475036482 /nfs/dbraw/zinc/03/64/82/475036482.db2.gz LNPBRYMDDYWVQG-MRXNPFEDSA-N 1 1 344.377 2.988 20 10 EFCDMO CC(C)[N@@H+]1CCc2nc(NC(=O)c3cccc(O)c3O)sc2C1 ZINC000280607448 475036628 /nfs/dbraw/zinc/03/66/28/475036628.db2.gz YTSBXWYLLQWAAY-UHFFFAOYSA-N 1 1 333.413 2.573 20 10 EFCDMO CC(C)[N@H+]1CCc2nc(NC(=O)c3cccc(O)c3O)sc2C1 ZINC000280607448 475036638 /nfs/dbraw/zinc/03/66/38/475036638.db2.gz YTSBXWYLLQWAAY-UHFFFAOYSA-N 1 1 333.413 2.573 20 10 EFCDMO Cc1noc(CCC[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)n1 ZINC000268623459 475037321 /nfs/dbraw/zinc/03/73/21/475037321.db2.gz BXFGPNRTZDCRBC-MRXNPFEDSA-N 1 1 331.416 2.697 20 10 EFCDMO C[C@H](N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(N2CCOCC2)c(F)c1 ZINC000268780992 475042253 /nfs/dbraw/zinc/04/22/53/475042253.db2.gz PTLAEUCFCQHRSE-CVAIRZPRSA-N 1 1 347.478 2.940 20 10 EFCDMO C[C@H]([NH2+][C@@H]1CCN2CCCC[C@@H]12)c1ccc(N2CCOCC2)c(F)c1 ZINC000268780992 475042262 /nfs/dbraw/zinc/04/22/62/475042262.db2.gz PTLAEUCFCQHRSE-CVAIRZPRSA-N 1 1 347.478 2.940 20 10 EFCDMO Cc1cc(C[N@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)ccc1N(C)C ZINC000293618274 475042926 /nfs/dbraw/zinc/04/29/26/475042926.db2.gz WBJVRHIIPCTAGZ-GOSISDBHSA-N 1 1 329.488 2.799 20 10 EFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2CCC(=O)N[C@H]2C(C)(C)C)c1 ZINC000285833745 475043433 /nfs/dbraw/zinc/04/34/33/475043433.db2.gz XVSABHQLYFYXRT-FABXCBLPSA-N 1 1 348.443 2.523 20 10 EFCDMO Cc1nnsc1C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000293805425 475053705 /nfs/dbraw/zinc/05/37/05/475053705.db2.gz VERGPMFNMIKDRG-LLVKDONJSA-N 1 1 336.436 2.673 20 10 EFCDMO Cc1cc(C[NH2+][C@H](CS(C)(=O)=O)c2ccccc2)ccc1N(C)C ZINC000294629045 475076160 /nfs/dbraw/zinc/07/61/60/475076160.db2.gz PFENLJOLRASREM-GOSISDBHSA-N 1 1 346.496 2.937 20 10 EFCDMO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H](OCc3ccncc3)C2)c1O ZINC000281134669 475084327 /nfs/dbraw/zinc/08/43/27/475084327.db2.gz YSDMPMGUICZTSO-KRWDZBQOSA-N 1 1 344.386 2.920 20 10 EFCDMO CC[C@@H]([NH2+][C@H]1CCCN(c2ccnn2C)C1)c1ccc(F)cc1O ZINC000286949567 475086911 /nfs/dbraw/zinc/08/69/11/475086911.db2.gz BMARZXCOXCPSAS-GOEBONIOSA-N 1 1 332.423 2.975 20 10 EFCDMO COC1CCN(c2ccc(C[N@@H+](C)[C@H](C)C[S@@](C)=O)cc2)CC1 ZINC000294868164 475089189 /nfs/dbraw/zinc/08/91/89/475089189.db2.gz AUXRXOFPKSAODY-IQMFZBJNSA-N 1 1 338.517 2.501 20 10 EFCDMO 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CN(C)c1ccc(C[N@@H+](CCc2nnn(C(C)(C)C)n2)C2CC2)cc1 ZINC000851732886 1251229762 /nfs/dbraw/zinc/22/97/62/1251229762.db2.gz ZKZWYOSUIWXLEU-UHFFFAOYSA-N 1 1 342.491 2.701 20 10 EFCDMO [O-]c1ccc(Br)cc1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236314189 1252074801 /nfs/dbraw/zinc/07/48/01/1252074801.db2.gz JTVMMCFEUGMRQA-TXEJJXNPSA-N 1 1 325.250 2.586 20 10 EFCDMO [O-]c1ccc(Br)cc1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236314189 1252074807 /nfs/dbraw/zinc/07/48/07/1252074807.db2.gz JTVMMCFEUGMRQA-TXEJJXNPSA-N 1 1 325.250 2.586 20 10 EFCDMO CC(C)=CCN1CC[C@@]2(CC[N@H+](Cc3cccc(F)c3O)C2)C1=O ZINC001273303629 1265999886 /nfs/dbraw/zinc/99/98/86/1265999886.db2.gz MXTVFFNMCOISAX-LJQANCHMSA-N 1 1 332.419 2.922 20 10 EFCDMO CC(C)=CCN1CC[C@@]2(CC[N@@H+](Cc3cccc(F)c3O)C2)C1=O ZINC001273303629 1265999895 /nfs/dbraw/zinc/99/98/95/1265999895.db2.gz MXTVFFNMCOISAX-LJQANCHMSA-N 1 1 332.419 2.922 20 10 EFCDMO CC[C@H](C)N1C(=O)C[C@]2(CCC[N@@H+](Cc3ccc(C)cc3O)C2)C1=O ZINC001272764983 1257678540 /nfs/dbraw/zinc/67/85/40/1257678540.db2.gz FKBNZWAPNFBGIN-YWZLYKJASA-N 1 1 344.455 2.840 20 10 EFCDMO CC(=O)[C@H](C)N1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ccc(C)cc1O ZINC001272764925 1257680530 /nfs/dbraw/zinc/68/05/30/1257680530.db2.gz CTXKPVSKCQTXMB-MGPUTAFESA-N 1 1 344.455 2.635 20 10 EFCDMO Cn1c[nH+]cc1CC[NH2+]Cc1cc(Cl)cc(Br)c1[O-] ZINC000708090135 1259669072 /nfs/dbraw/zinc/66/90/72/1259669072.db2.gz NSFNIICKOJDLCX-UHFFFAOYSA-N 1 1 344.640 2.874 20 10 EFCDMO CC(C)CN1CC[C@]2(CCC[N@@H+](Cc3ccc(O)c(O)c3)CC2)C1=O ZINC001272902841 1261295133 /nfs/dbraw/zinc/29/51/33/1261295133.db2.gz HXVQCKPOQZBOTF-HXUWFJFHSA-N 1 1 346.471 2.958 20 10 EFCDMO CC[C@@H](C)N1CC[C@@]2(CC[N@@H+](Cc3ccc(N(C)C)cc3)C2)C1=O ZINC001272916984 1261328183 /nfs/dbraw/zinc/32/81/83/1261328183.db2.gz OCHOIMWNXVMCSM-OXQOHEQNSA-N 1 1 329.488 2.976 20 10 EFCDMO Oc1cc(Br)ccc1C[N@@H+]1CCCC[C@@H]1C1OCCO1 ZINC000824682749 1278245136 /nfs/dbraw/zinc/24/51/36/1278245136.db2.gz JQNVABTTXHOHSU-CYBMUJFWSA-N 1 1 342.233 2.882 20 10 EFCDMO Oc1cc(Br)ccc1C[N@H+]1CCCC[C@@H]1C1OCCO1 ZINC000824682749 1278245148 /nfs/dbraw/zinc/24/51/48/1278245148.db2.gz JQNVABTTXHOHSU-CYBMUJFWSA-N 1 1 342.233 2.882 20 10 EFCDMO Oc1cc(Br)ccc1C[N@@H+]1CCCC[C@H]1C1OCCO1 ZINC000824682750 1278246014 /nfs/dbraw/zinc/24/60/14/1278246014.db2.gz JQNVABTTXHOHSU-ZDUSSCGKSA-N 1 1 342.233 2.882 20 10 EFCDMO Oc1cc(Br)ccc1C[N@H+]1CCCC[C@H]1C1OCCO1 ZINC000824682750 1278246032 /nfs/dbraw/zinc/24/60/32/1278246032.db2.gz JQNVABTTXHOHSU-ZDUSSCGKSA-N 1 1 342.233 2.882 20 10 EFCDMO c1cc(N2CCCC2)nc(NCc2ccc(N3CCOCC3)cc2)[nH+]1 ZINC000733188790 1265115653 /nfs/dbraw/zinc/11/56/53/1265115653.db2.gz ZAWUVMHDRKULBQ-UHFFFAOYSA-N 1 1 339.443 2.526 20 10 EFCDMO O=C1N(CC(F)(F)F)CC[C@]12CC[N@H+](Cc1c([O-])cccc1F)C2 ZINC001273266438 1265249140 /nfs/dbraw/zinc/24/91/40/1265249140.db2.gz XYVCDIZBTRDMSA-HNNXBMFYSA-N 1 1 346.324 2.518 20 10 EFCDMO O=C1N(CC(F)(F)F)CC[C@]12CC[N@@H+](Cc1c(O)cccc1F)C2 ZINC001273266438 1265249142 /nfs/dbraw/zinc/24/91/42/1265249142.db2.gz XYVCDIZBTRDMSA-HNNXBMFYSA-N 1 1 346.324 2.518 20 10 EFCDMO O=C1N(CC(F)(F)F)CC[C@]12CC[N@H+](Cc1c(O)cccc1F)C2 ZINC001273266438 1265249146 /nfs/dbraw/zinc/24/91/46/1265249146.db2.gz XYVCDIZBTRDMSA-HNNXBMFYSA-N 1 1 346.324 2.518 20 10 EFCDMO Cn1ncc(Br)c1C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922301997 1265410819 /nfs/dbraw/zinc/41/08/19/1265410819.db2.gz KUXNKTZBONARBV-UHFFFAOYSA-N 1 1 336.233 2.797 20 10 EFCDMO C[C@H](CCN1CCN(C)CC1)[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000186582397 1266786814 /nfs/dbraw/zinc/78/68/14/1266786814.db2.gz SOZAPVSEXPVEMC-SJORKVTESA-N 1 1 345.531 2.948 20 10 EFCDMO CC(=O)[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1c(C)ccc(C)c1O ZINC001273049174 1266788779 /nfs/dbraw/zinc/78/87/79/1266788779.db2.gz OQBFXSVBQCTSFF-BMGDILEWSA-N 1 1 344.455 2.552 20 10 EFCDMO COc1c(O)c(C[NH2+]C[C@](C)(OC)c2ccccc2)ccc1[N+](=O)[O-] ZINC000824780452 1278280975 /nfs/dbraw/zinc/28/09/75/1278280975.db2.gz PCGCATAQOGUYLS-SFHVURJKSA-N 1 1 346.383 2.960 20 10 EFCDMO Cc1cc(O)c(CN2CCC([N@@H+](C)CCCO)CC2)cc1Cl ZINC000824815024 1278300928 /nfs/dbraw/zinc/30/09/28/1278300928.db2.gz YPLIKJQBUUBFMZ-UHFFFAOYSA-N 1 1 326.868 2.633 20 10 EFCDMO COC(=O)C[C@@H]1CCC[N@H+]1Cc1ccc(Br)cc1O ZINC000824856547 1278315053 /nfs/dbraw/zinc/31/50/53/1278315053.db2.gz ZSJKWYKDFKLEIR-LBPRGKRZSA-N 1 1 328.206 2.682 20 10 EFCDMO COc1cc(C[N@@H+]2CCN(C(C)=O)C[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC000824829284 1278323616 /nfs/dbraw/zinc/32/36/16/1278323616.db2.gz ILTXHDDSINCKKV-ZDUSSCGKSA-N 1 1 334.460 2.751 20 10 EFCDMO COc1cc(C[N@H+]2CCN(C(C)=O)C[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC000824829284 1278323630 /nfs/dbraw/zinc/32/36/30/1278323630.db2.gz ILTXHDDSINCKKV-ZDUSSCGKSA-N 1 1 334.460 2.751 20 10 EFCDMO CN1CCN(c2ccc(C[N@@H+]3CCSC[C@H]3C3CC3)cc2)CC1 ZINC000824914544 1278340449 /nfs/dbraw/zinc/34/04/49/1278340449.db2.gz UNVCVKYUXGYBIF-IBGZPJMESA-N 1 1 331.529 2.766 20 10 EFCDMO CN1CCN(c2ccc(C[N@H+]3CCSC[C@H]3C3CC3)cc2)CC1 ZINC000824914544 1278340457 /nfs/dbraw/zinc/34/04/57/1278340457.db2.gz UNVCVKYUXGYBIF-IBGZPJMESA-N 1 1 331.529 2.766 20 10 EFCDMO C[N@@H+](Cc1ccc(N2CCOCC2)c(F)c1)[C@H](CO)CC(C)(C)C ZINC000825040996 1278393448 /nfs/dbraw/zinc/39/34/48/1278393448.db2.gz XYNZWTRKQNAJBL-INIZCTEOSA-N 1 1 338.467 2.891 20 10 EFCDMO Cn1nccc1[C@H]1C[C@H]([NH2+]Cc2cc(Cl)c(F)cc2O)CCO1 ZINC000825045623 1278396212 /nfs/dbraw/zinc/39/62/12/1278396212.db2.gz IEHSDKVQXXQDAC-BDJLRTHQSA-N 1 1 339.798 2.928 20 10 EFCDMO COc1c(O)c(C[N@@H+](C)[C@@H]2C[C@@H](OC)C23CCC3)ccc1[N+](=O)[O-] ZINC000825104432 1278399671 /nfs/dbraw/zinc/39/96/71/1278399671.db2.gz WWOZWAMWDDLYHY-ZIAGYGMSSA-N 1 1 336.388 2.698 20 10 EFCDMO COc1c(O)c(C[N@H+](C)[C@@H]2C[C@@H](OC)C23CCC3)ccc1[N+](=O)[O-] ZINC000825104432 1278399686 /nfs/dbraw/zinc/39/96/86/1278399686.db2.gz WWOZWAMWDDLYHY-ZIAGYGMSSA-N 1 1 336.388 2.698 20 10 EFCDMO CC(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(F)c(F)cc1O ZINC001273379625 1269301777 /nfs/dbraw/zinc/30/17/77/1269301777.db2.gz YGXUCOXAHLYJLY-HZPDHXFCSA-N 1 1 338.398 2.892 20 10 EFCDMO CC(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(F)c(F)cc1O ZINC001273379625 1269301789 /nfs/dbraw/zinc/30/17/89/1269301789.db2.gz YGXUCOXAHLYJLY-HZPDHXFCSA-N 1 1 338.398 2.892 20 10 EFCDMO CCCC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001085994093 1269447826 /nfs/dbraw/zinc/44/78/26/1269447826.db2.gz BNXNWXMTKDOJNR-OAHLLOKOSA-N 1 1 331.420 2.795 20 10 EFCDMO CCCC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001085994092 1269447883 /nfs/dbraw/zinc/44/78/83/1269447883.db2.gz BNXNWXMTKDOJNR-HNNXBMFYSA-N 1 1 331.420 2.795 20 10 EFCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@H](NC(=O)N(C)C)C2)cc1 ZINC000825278294 1278491836 /nfs/dbraw/zinc/49/18/36/1278491836.db2.gz BEBANMMZSPIHMQ-KRWDZBQOSA-N 1 1 332.492 2.768 20 10 EFCDMO Cc1cc([O-])c(C[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)cc1Cl ZINC000825283138 1278492874 /nfs/dbraw/zinc/49/28/74/1278492874.db2.gz GDMZICZEMCALGP-HNNXBMFYSA-N 1 1 326.868 2.681 20 10 EFCDMO Cc1cc([O-])c(C[NH2+]CCCC[N@H+]2CCC[C@H]2CO)cc1Cl ZINC000825283138 1278492879 /nfs/dbraw/zinc/49/28/79/1278492879.db2.gz GDMZICZEMCALGP-HNNXBMFYSA-N 1 1 326.868 2.681 20 10 EFCDMO CCN(CC)c1ccc(C[N@H+](C)CC(=O)NCC(F)(F)F)cc1 ZINC000741678702 1269655672 /nfs/dbraw/zinc/65/56/72/1269655672.db2.gz WLKQQVFFIZNQHK-UHFFFAOYSA-N 1 1 331.382 2.643 20 10 EFCDMO CCN(CC)c1ccc(C[N@@H+](C)CC(=O)NCC(F)(F)F)cc1 ZINC000741678702 1269655683 /nfs/dbraw/zinc/65/56/83/1269655683.db2.gz WLKQQVFFIZNQHK-UHFFFAOYSA-N 1 1 331.382 2.643 20 10 EFCDMO CCN(C)c1ccc(C[N@H+](C)CC(=O)Nc2cc(C)ccn2)cc1 ZINC000741754167 1269688059 /nfs/dbraw/zinc/68/80/59/1269688059.db2.gz KHIYWMVAYAHRGV-UHFFFAOYSA-N 1 1 326.444 2.917 20 10 EFCDMO CCN(C)c1ccc(C[N@@H+](C)CC(=O)Nc2cc(C)ccn2)cc1 ZINC000741754167 1269688063 /nfs/dbraw/zinc/68/80/63/1269688063.db2.gz KHIYWMVAYAHRGV-UHFFFAOYSA-N 1 1 326.444 2.917 20 10 EFCDMO CCCC[N@@H+](Cc1ccc(N(C)CC)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000741754217 1269688664 /nfs/dbraw/zinc/68/86/64/1269688664.db2.gz LIRSECHVAMURQS-SFHVURJKSA-N 1 1 338.517 2.932 20 10 EFCDMO CCN(C)c1ccc(C[N@H+]2CCC[C@H](C(=O)NCC3CC3)C2)cc1 ZINC000741754779 1269690325 /nfs/dbraw/zinc/69/03/25/1269690325.db2.gz XHTGAGVULNIQGL-SFHVURJKSA-N 1 1 329.488 2.881 20 10 EFCDMO CC1(C)CCC[N@H+]1CCNCc1ccc(N2CCOCC2)c(F)c1 ZINC000825326701 1278506367 /nfs/dbraw/zinc/50/63/67/1278506367.db2.gz PAOMOWSBLRDPTF-UHFFFAOYSA-N 1 1 335.467 2.626 20 10 EFCDMO CC1(C)CCCN1CC[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000825326701 1278506373 /nfs/dbraw/zinc/50/63/73/1278506373.db2.gz PAOMOWSBLRDPTF-UHFFFAOYSA-N 1 1 335.467 2.626 20 10 EFCDMO C[NH+]1CCC(C)(C[NH2+]Cc2ccc(Br)cc2[O-])CC1 ZINC000701075993 1269868884 /nfs/dbraw/zinc/86/88/84/1269868884.db2.gz KRTYAWUVOFTEEP-UHFFFAOYSA-N 1 1 327.266 2.976 20 10 EFCDMO C[C@@H](F)CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001033700316 1269869053 /nfs/dbraw/zinc/86/90/53/1269869053.db2.gz XHJWTCSETCOXFS-DOMZBBRYSA-N 1 1 349.410 2.743 20 10 EFCDMO COCCn1c(C)c(C)c2cc(C(=O)N3CC[N@H+](C)[C@@H](C)C3)ccc21 ZINC000742198437 1269932464 /nfs/dbraw/zinc/93/24/64/1269932464.db2.gz KWHXCHBKYISAIE-AWEZNQCLSA-N 1 1 343.471 2.681 20 10 EFCDMO COCCn1c(C)c(C)c2cc(C(=O)N3CC[N@@H+](C)[C@@H](C)C3)ccc21 ZINC000742198437 1269932471 /nfs/dbraw/zinc/93/24/71/1269932471.db2.gz KWHXCHBKYISAIE-AWEZNQCLSA-N 1 1 343.471 2.681 20 10 EFCDMO O=C(NCc1c(O)ccc2c1CCCC2)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000743623532 1270673086 /nfs/dbraw/zinc/67/30/86/1270673086.db2.gz ZKLQXDUXBOBNIJ-MRXNPFEDSA-N 1 1 343.471 2.555 20 10 EFCDMO Cc1[nH+]ccn1CCCCNC(=O)NCc1ccc(N(C)C)cc1C ZINC000743632245 1270680163 /nfs/dbraw/zinc/68/01/63/1270680163.db2.gz ZYHBOLUDSMDNLP-UHFFFAOYSA-N 1 1 343.475 2.846 20 10 EFCDMO Cc1cc(O)c(C[NH+]2CCN(c3ccnc(C)n3)CC2)cc1Cl ZINC000825514333 1278578890 /nfs/dbraw/zinc/57/88/90/1278578890.db2.gz NCHGQUFLGLCLRH-UHFFFAOYSA-N 1 1 332.835 2.775 20 10 EFCDMO COc1cc(C(=O)N[C@@H]2CCCC[N@@H+](CCC(C)C)C2)cc(OC)n1 ZINC001034289562 1271569964 /nfs/dbraw/zinc/56/99/64/1271569964.db2.gz ZAQKCKXLUIFZCN-MRXNPFEDSA-N 1 1 349.475 2.729 20 10 EFCDMO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000745857968 1271660100 /nfs/dbraw/zinc/66/01/00/1271660100.db2.gz MDMDKOOXQVPQSF-DOTOQJQBSA-N 1 1 332.492 2.767 20 10 EFCDMO C[C@H](NC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000746168356 1271872922 /nfs/dbraw/zinc/87/29/22/1271872922.db2.gz OLMUKZHGFBIVLF-BBWFWOEESA-N 1 1 345.487 2.573 20 10 EFCDMO CCC[N@H+]1CCCC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001034545187 1272261538 /nfs/dbraw/zinc/26/15/38/1272261538.db2.gz SORBIKQZMTWSKA-OAHLLOKOSA-N 1 1 331.420 2.843 20 10 EFCDMO CCN(CC)C(=O)C[C@@H](C)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC001169478489 1272942713 /nfs/dbraw/zinc/94/27/13/1272942713.db2.gz QKVHGMLNVRAXNX-QGZVFWFLSA-N 1 1 347.503 2.602 20 10 EFCDMO COc1ccccc1[C@H]([NH3+])C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000844173396 1278780286 /nfs/dbraw/zinc/78/02/86/1278780286.db2.gz ZDTNDWXDYVQQKY-IBGZPJMESA-N 1 1 339.439 2.612 20 10 EFCDMO [O-]c1cc(Br)ccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000691447767 1274087870 /nfs/dbraw/zinc/08/78/70/1274087870.db2.gz VSRLAACTPQQDBX-UONOGXRCSA-N 1 1 325.250 2.871 20 10 EFCDMO [O-]c1cc(Br)ccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000691447767 1274087879 /nfs/dbraw/zinc/08/78/79/1274087879.db2.gz VSRLAACTPQQDBX-UONOGXRCSA-N 1 1 325.250 2.871 20 10 EFCDMO CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(Br)cc2[O-])C1 ZINC000691455338 1274132272 /nfs/dbraw/zinc/13/22/72/1274132272.db2.gz NYUYSIISXSKLDZ-GFCCVEGCSA-N 1 1 327.266 2.976 20 10 EFCDMO CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(Br)cc2[O-])C1 ZINC000691455338 1274132275 /nfs/dbraw/zinc/13/22/75/1274132275.db2.gz NYUYSIISXSKLDZ-GFCCVEGCSA-N 1 1 327.266 2.976 20 10 EFCDMO CCC[N@H+]1CC[C@H](CNCc2c(O)cccc2Br)C1 ZINC000706854212 1275054423 /nfs/dbraw/zinc/05/44/23/1275054423.db2.gz VYUUFZGIFQDOOZ-GFCCVEGCSA-N 1 1 327.266 2.976 20 10 EFCDMO CC(C)[N@H+]1CC[C@H](CNCc2c(O)cccc2Br)C1 ZINC000706871958 1275065907 /nfs/dbraw/zinc/06/59/07/1275065907.db2.gz TVUCETKPPIPLJS-GFCCVEGCSA-N 1 1 327.266 2.975 20 10 EFCDMO CN(Cc1c(O)cccc1Br)C[C@@H]1CCC[N@@H+](C)C1 ZINC000707129994 1275337403 /nfs/dbraw/zinc/33/74/03/1275337403.db2.gz XAXXROJDGQIVRL-GFCCVEGCSA-N 1 1 327.266 2.928 20 10 EFCDMO C[N@H+]1CC[C@@]2(CCN(Cc3c(O)cccc3Br)C2)C1 ZINC000707170607 1275375076 /nfs/dbraw/zinc/37/50/76/1275375076.db2.gz BCRKZAHYMYBHFL-OAHLLOKOSA-N 1 1 325.250 2.682 20 10 EFCDMO COc1ccc(N(C)CC[N@@H+](C)CCC(=O)NC2CCCC2)cc1 ZINC000844399816 1278947749 /nfs/dbraw/zinc/94/77/49/1278947749.db2.gz PCXCQZTVMBYHDY-UHFFFAOYSA-N 1 1 333.476 2.512 20 10 EFCDMO COC(=O)[C@@H]1CC[N@@H+](Cc2cc(Br)cc(C)c2O)[C@@H]1C ZINC000787420067 1275769884 /nfs/dbraw/zinc/76/98/84/1275769884.db2.gz CTLAYUPMFILMCG-ZWNOBZJWSA-N 1 1 342.233 2.847 20 10 EFCDMO COC(=O)[C@H]1CC[N@H+](Cc2cccc(Br)c2O)[C@H]1C ZINC000787420901 1275770972 /nfs/dbraw/zinc/77/09/72/1275770972.db2.gz MPTVFCDZAOZZJV-ONGXEEELSA-N 1 1 328.206 2.538 20 10 EFCDMO COC(=O)[C@H]1CC[N@@H+](Cc2cccc(Br)c2O)[C@H]1C ZINC000787420901 1275770976 /nfs/dbraw/zinc/77/09/76/1275770976.db2.gz MPTVFCDZAOZZJV-ONGXEEELSA-N 1 1 328.206 2.538 20 10 EFCDMO C[C@H]([NH2+]CCN1CCOC[C@@H]1C)c1cccc(C(F)(F)F)c1O ZINC000788586478 1276235112 /nfs/dbraw/zinc/23/51/12/1276235112.db2.gz CJBVDMWDCZWIKM-RYUDHWBXSA-N 1 1 332.366 2.782 20 10 EFCDMO CCOC1CC(O)(C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2O)C1 ZINC000788775863 1276322957 /nfs/dbraw/zinc/32/29/57/1276322957.db2.gz MCYHAGWNRKBRCK-RWWNRMGGSA-N 1 1 333.350 2.992 20 10 EFCDMO C[C@@H]1CN(c2ccc(CNC3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2F)C[C@@H](C)O1 ZINC000817890528 1276348460 /nfs/dbraw/zinc/34/84/60/1276348460.db2.gz ZQIICYNUKYWUGL-SUQXETJPSA-N 1 1 347.478 2.812 20 10 EFCDMO [NH3+][C@@H]1CCCCC[C@H]1NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000817896153 1276365034 /nfs/dbraw/zinc/36/50/34/1276365034.db2.gz YRJLAHLGTOIIEJ-WOJBJXKFSA-N 1 1 331.504 2.645 20 10 EFCDMO N[C@@H]1CCCCC[C@H]1[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000817896153 1276365037 /nfs/dbraw/zinc/36/50/37/1276365037.db2.gz YRJLAHLGTOIIEJ-WOJBJXKFSA-N 1 1 331.504 2.645 20 10 EFCDMO CC[C@@H](NCc1ccc(N2CCN(CC)CC2)c(F)c1)[C@@H]1CCC[NH2+]1 ZINC000817902406 1276367769 /nfs/dbraw/zinc/36/77/69/1276367769.db2.gz PWNWWOQWNVEKOG-MOPGFXCFSA-N 1 1 348.510 2.588 20 10 EFCDMO COC(=O)c1csc([C@H](C)[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)c1 ZINC000817943267 1276389356 /nfs/dbraw/zinc/38/93/56/1276389356.db2.gz SZFIGBJEZXBQAR-LRDDRELGSA-N 1 1 347.484 2.951 20 10 EFCDMO C[C@@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817944147 1276390507 /nfs/dbraw/zinc/39/05/07/1276390507.db2.gz XTPXEZXUBKYMRJ-PXAZEXFGSA-N 1 1 343.431 2.594 20 10 EFCDMO C[C@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817944149 1276390902 /nfs/dbraw/zinc/39/09/02/1276390902.db2.gz XTPXEZXUBKYMRJ-SJCJKPOMSA-N 1 1 343.431 2.594 20 10 EFCDMO C[C@@H](NC[C@@]1(C)CCC[NH2+]C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000817964401 1276403392 /nfs/dbraw/zinc/40/33/92/1276403392.db2.gz BJLAGODMRAKIEG-BEFAXECRSA-N 1 1 335.467 2.703 20 10 EFCDMO C[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1cc(Br)ccc1[O-] 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CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CC[C@H](N3CCCC3=O)C2)c1 ZINC000790462153 1277546254 /nfs/dbraw/zinc/54/62/54/1277546254.db2.gz UZLUUVKUEABLHM-HNNXBMFYSA-N 1 1 332.444 2.592 20 10 EFCDMO Cc1cc(C(=O)C[N@@H+]2C[C@H](O)C(C)(C)C2)c(C)n1-c1ccccc1 ZINC000790448397 1277567393 /nfs/dbraw/zinc/56/73/93/1277567393.db2.gz AKPPJWYLEVAZEP-IBGZPJMESA-N 1 1 326.440 2.980 20 10 EFCDMO Cc1cc(C(=O)C[N@H+]2C[C@H](O)C(C)(C)C2)c(C)n1-c1ccccc1 ZINC000790448397 1277567400 /nfs/dbraw/zinc/56/74/00/1277567400.db2.gz AKPPJWYLEVAZEP-IBGZPJMESA-N 1 1 326.440 2.980 20 10 EFCDMO COc1ccc2ccc(O)c(C[N@H+]3CC[C@@H](N4CCCC4=O)C3)c2c1 ZINC000790455468 1277572169 /nfs/dbraw/zinc/57/21/69/1277572169.db2.gz DBTVIQZNKHDCKP-OAHLLOKOSA-N 1 1 340.423 2.751 20 10 EFCDMO Cn1cc([C@@H]2CSCC[N@H+]2Cc2c(O)ccc3ccncc32)cn1 ZINC000790469286 1277579946 /nfs/dbraw/zinc/57/99/46/1277579946.db2.gz ATGMEVVUGWAEEZ-KRWDZBQOSA-N 1 1 340.452 2.964 20 10 EFCDMO COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)c1 ZINC000790538974 1277611934 /nfs/dbraw/zinc/61/19/34/1277611934.db2.gz MHUFRYBZTWNZCY-DYVFJYSZSA-N 1 1 349.475 2.881 20 10 EFCDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2cccc(O)c2O)C1 ZINC000790570248 1277653324 /nfs/dbraw/zinc/65/33/24/1277653324.db2.gz KQBKBHKCXPBOKG-ZFWWWQNUSA-N 1 1 326.396 2.663 20 10 EFCDMO Cc1cc(C[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)ccc1N(C)C ZINC000815078040 1287302080 /nfs/dbraw/zinc/30/20/80/1287302080.db2.gz LZPUSWSABYUTGG-GHTZIAJQSA-N 1 1 344.547 2.519 20 10 EFCDMO Cc1cc(C[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)ccc1N(C)C ZINC000815078040 1287302088 /nfs/dbraw/zinc/30/20/88/1287302088.db2.gz LZPUSWSABYUTGG-GHTZIAJQSA-N 1 1 344.547 2.519 20 10 EFCDMO C[NH+]1CCN(c2ccc(CN3CCO[C@@H](C(C)(C)C)C3)cc2)CC1 ZINC000790930884 1277853303 /nfs/dbraw/zinc/85/33/03/1277853303.db2.gz JXAZTSNVYINCEZ-LJQANCHMSA-N 1 1 331.504 2.685 20 10 EFCDMO C[C@H](O)C[C@H]1CCCC[N@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000790934278 1277853660 /nfs/dbraw/zinc/85/36/60/1277853660.db2.gz JRDRAWFREORANH-DOTOQJQBSA-N 1 1 336.451 2.788 20 10 EFCDMO CC(C)(CNCc1ccc(N2CCOCC2)cc1)C[NH+]1CCCC1 ZINC000791010073 1277906259 /nfs/dbraw/zinc/90/62/59/1277906259.db2.gz CVKYZMSZPRNYSN-UHFFFAOYSA-N 1 1 331.504 2.735 20 10 EFCDMO OC[C@H](C[C@H](O)c1ccccc1)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790983636 1277911295 /nfs/dbraw/zinc/91/12/95/1277911295.db2.gz RCAPRZSSGWLQKF-LRDDRELGSA-N 1 1 339.794 2.759 20 10 EFCDMO CCN(C)c1ccc(C[N@H+]2[C@@H]3C[C@H](C(=O)OC)O[C@H]3CC[C@H]2C)cc1 ZINC000815112414 1287310709 /nfs/dbraw/zinc/31/07/09/1287310709.db2.gz QCXNMPKLGIAIHW-DQEVTTJGSA-N 1 1 346.471 2.826 20 10 EFCDMO Cc1cc(C[N@H+]2CCN3C(=O)N(CC(C)C)C[C@H]3C2)ccc1N(C)C ZINC000815104362 1287326035 /nfs/dbraw/zinc/32/60/35/1287326035.db2.gz IUBKNXZUEDEVLH-GOSISDBHSA-N 1 1 344.503 2.639 20 10 EFCDMO Cc1cc(C[N@H+]2CCC[C@@H](CN3CCOCC3)C2)ccc1N(C)C ZINC000815110911 1287329387 /nfs/dbraw/zinc/32/93/87/1287329387.db2.gz ZZAFUTJFHMEPPZ-IBGZPJMESA-N 1 1 331.504 2.605 20 10 EFCDMO CN(C)c1ccc(C[N@H+](C)CC(=O)N2CCCC2)c(C(F)(F)F)c1 ZINC000792778377 1279171708 /nfs/dbraw/zinc/17/17/08/1279171708.db2.gz OZDZHVQSHWBQST-UHFFFAOYSA-N 1 1 343.393 2.826 20 10 EFCDMO CN(C)c1ccc(C[N@@H+](C)CC(=O)N2CCCC2)c(C(F)(F)F)c1 ZINC000792778377 1279171714 /nfs/dbraw/zinc/17/17/14/1279171714.db2.gz OZDZHVQSHWBQST-UHFFFAOYSA-N 1 1 343.393 2.826 20 10 EFCDMO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)C[C@@H]1CCCS(=O)(=O)C1 ZINC000792861285 1279198272 /nfs/dbraw/zinc/19/82/72/1279198272.db2.gz AJLARNYJHXXZEN-KRWDZBQOSA-N 1 1 338.517 2.788 20 10 EFCDMO CCN(CC)c1ccc(CNC(=O)NCC[N@@H+]2CC=CCC2)cc1 ZINC000792884521 1279235012 /nfs/dbraw/zinc/23/50/12/1279235012.db2.gz UYQCJJAGYODTGP-UHFFFAOYSA-N 1 1 330.476 2.594 20 10 EFCDMO C[C@H](CNC(=O)NCc1cc(Cl)ccc1O)[N@H+]1CCC[C@@H](C)C1 ZINC000844879927 1279312888 /nfs/dbraw/zinc/31/28/88/1279312888.db2.gz NPCIOVZGQHVNTM-CHWSQXEVSA-N 1 1 339.867 2.965 20 10 EFCDMO CN(C)c1ccc(C[N@H+]2CCCNC(=O)[C@H]2Cc2ccccc2)cc1 ZINC000815140773 1287343657 /nfs/dbraw/zinc/34/36/57/1287343657.db2.gz IXAIBKFFMNRBHL-HXUWFJFHSA-N 1 1 337.467 2.686 20 10 EFCDMO CC(C)[NH+]1CCN(Cc2cc(Br)c(F)cc2O)CC1 ZINC001144298641 1279386745 /nfs/dbraw/zinc/38/67/45/1279386745.db2.gz HOHWWTLUSOFMJG-UHFFFAOYSA-N 1 1 331.229 2.820 20 10 EFCDMO Oc1c(Br)cccc1CNc1c[nH+]ccc1-n1ccnn1 ZINC000808426099 1279476713 /nfs/dbraw/zinc/47/67/13/1279476713.db2.gz OFUJPCXCLPUJOX-UHFFFAOYSA-N 1 1 346.188 2.743 20 10 EFCDMO CCN(CC)c1ccc(CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)cc1 ZINC000845233477 1279510235 /nfs/dbraw/zinc/51/02/35/1279510235.db2.gz REIDCMCLMLPTSF-KRWDZBQOSA-N 1 1 340.471 2.917 20 10 EFCDMO CO[C@@]1(C)CCC[N@H+](Cc2ccc(N3CCN(C)CC3)cc2)CC1 ZINC000793339880 1279559205 /nfs/dbraw/zinc/55/92/05/1279559205.db2.gz NMMXPZMNTCPENX-FQEVSTJZSA-N 1 1 331.504 2.829 20 10 EFCDMO CO[C@@]1(C)CCC[N@@H+](Cc2ccc(N3CCN(C)CC3)cc2)CC1 ZINC000793339880 1279559214 /nfs/dbraw/zinc/55/92/14/1279559214.db2.gz NMMXPZMNTCPENX-FQEVSTJZSA-N 1 1 331.504 2.829 20 10 EFCDMO CCOc1ccc(N2CC[NH+](Cc3ccc(OC)cn3)CC2)cc1 ZINC001144437148 1279655504 /nfs/dbraw/zinc/65/55/04/1279655504.db2.gz GUPPAEDRMMTZDF-UHFFFAOYSA-N 1 1 327.428 2.811 20 10 EFCDMO CCOC(=O)[C@H]1C[N@@H+](Cc2c(O)cc(O)cc2O)C[C@H]2CCCC[C@@H]12 ZINC001144504044 1279748183 /nfs/dbraw/zinc/74/81/83/1279748183.db2.gz JMTAVCOMACDZOZ-YUELXQCFSA-N 1 1 349.427 2.605 20 10 EFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2cnc3n2CCCC3)c1 ZINC000793566971 1279751212 /nfs/dbraw/zinc/75/12/12/1279751212.db2.gz WFBSMQNCMSWCOR-LBPRGKRZSA-N 1 1 329.400 2.562 20 10 EFCDMO Oc1cc(O)c(C[N@@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3OCC2CC2)c(O)c1 ZINC001144508107 1279753136 /nfs/dbraw/zinc/75/31/36/1279753136.db2.gz IICFKBGRKGGFOW-FRIZHTMISA-N 1 1 333.428 2.831 20 10 EFCDMO C[C@H](O)CN1CC[N@@H+](Cc2cc(-c3ccccc3)ccc2O)[C@H](C)C1 ZINC000793589821 1279758998 /nfs/dbraw/zinc/75/89/98/1279758998.db2.gz MMUOLGOWOGAOLX-SJORKVTESA-N 1 1 340.467 2.946 20 10 EFCDMO C[C@H](O)C[N@@H+]1CCN(Cc2cc(-c3ccccc3)ccc2O)[C@H](C)C1 ZINC000793589821 1279759000 /nfs/dbraw/zinc/75/90/00/1279759000.db2.gz MMUOLGOWOGAOLX-SJORKVTESA-N 1 1 340.467 2.946 20 10 EFCDMO 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RGZCVLJQIHPAIT-LBPRGKRZSA-N 1 1 332.366 2.784 20 10 EFCDMO C[C@H](CN1CCOCC1)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000815559489 1287594743 /nfs/dbraw/zinc/59/47/43/1287594743.db2.gz IDGMFKRAUPZNIO-VXGBXAGGSA-N 1 1 332.366 2.782 20 10 EFCDMO C[C@H]([NH2+]CC(=O)NCC(F)(F)F)c1cccc(C(F)(F)F)c1O ZINC000815567995 1287601925 /nfs/dbraw/zinc/60/19/25/1287601925.db2.gz RXEHRRPOFBEBHH-ZETCQYMHSA-N 1 1 344.255 2.740 20 10 EFCDMO CCOc1cccc(C[NH2+]C(C)(C)c2cc(C(=O)OC)on2)c1O ZINC000810166096 1282958854 /nfs/dbraw/zinc/95/88/54/1282958854.db2.gz LEUIVWFSHQLBIT-UHFFFAOYSA-N 1 1 334.372 2.590 20 10 EFCDMO CC[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810219987 1283048117 /nfs/dbraw/zinc/04/81/17/1283048117.db2.gz NXMAGYRTSOJWDI-CQSZACIVSA-N 1 1 346.393 2.908 20 10 EFCDMO CCNC(=O)N1CC[C@H]([NH2+][C@@H](C)c2cccc(C(F)(F)F)c2O)C1 ZINC000815595989 1287623787 /nfs/dbraw/zinc/62/37/87/1287623787.db2.gz HSASCQVOEUQQJH-QWRGUYRKSA-N 1 1 345.365 2.865 20 10 EFCDMO 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20 10 EFCDMO c1cc(N2CCCCC2)ccc1C[N@@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000092217886 1290665948 /nfs/dbraw/zinc/66/59/48/1290665948.db2.gz YUQARXLFBFMGBV-OAQYLSRUSA-N 1 1 343.515 2.974 20 10 EFCDMO O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)c1c(F)ccc(O)c1O ZINC000825849429 1290813594 /nfs/dbraw/zinc/81/35/94/1290813594.db2.gz HFBWKLXPZCPVJN-CQSZACIVSA-N 1 1 344.386 2.631 20 10 EFCDMO O=C1C[N@H+](Cc2ccc(N3CCCCC3)cc2)[C@H]2CCCC[C@H]2N1 ZINC000092703005 1290845088 /nfs/dbraw/zinc/84/50/88/1290845088.db2.gz VMTFZGXYAMABJM-MOPGFXCFSA-N 1 1 327.472 2.920 20 10 EFCDMO O=C1C[N@@H+](Cc2ccc(N3CCCCC3)cc2)[C@H]2CCCC[C@H]2N1 ZINC000092703005 1290845101 /nfs/dbraw/zinc/84/51/01/1290845101.db2.gz VMTFZGXYAMABJM-MOPGFXCFSA-N 1 1 327.472 2.920 20 10 EFCDMO CC[N@H+](Cc1cn(C[C@@H]2CCCO2)nn1)Cc1ccc(N(C)C)cc1 ZINC000876521950 1290936227 /nfs/dbraw/zinc/93/62/27/1290936227.db2.gz CHCSJABFBRROTQ-IBGZPJMESA-N 1 1 343.475 2.545 20 10 EFCDMO CC[N@@H+](Cc1cn(C[C@@H]2CCCO2)nn1)Cc1ccc(N(C)C)cc1 ZINC000876521950 1290936235 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EFCDMO Oc1cc(I)ccc1C[NH+]1CCC(F)CC1 ZINC001232975260 1312824079 /nfs/dbraw/zinc/82/40/79/1312824079.db2.gz YBMBULYPGMKARO-UHFFFAOYSA-N 1 1 335.160 2.931 20 10 EFCDMO Oc1cc(I)ccc1C[N@H+]1C[C@H]2[C@H](CF)[C@H]2C1 ZINC001232979561 1312824271 /nfs/dbraw/zinc/82/42/71/1312824271.db2.gz GESIDYVVPCWLFP-CNDDSTCGSA-N 1 1 347.171 2.644 20 10 EFCDMO OC1CCN(c2ccc(C[N@H+]3CC[C@H]([C@H]4CCOC4)C3)cc2)CC1 ZINC000876781823 1291022845 /nfs/dbraw/zinc/02/28/45/1291022845.db2.gz NVURLCFATBNENM-ROUUACIJSA-N 1 1 330.472 2.506 20 10 EFCDMO CCc1nsc(N2CCC[N@@H+](Cc3c(C)cccc3O)CC2)n1 ZINC000876797708 1291024350 /nfs/dbraw/zinc/02/43/50/1291024350.db2.gz TZLSJTJSTNCHML-UHFFFAOYSA-N 1 1 332.473 2.827 20 10 EFCDMO C[N@@H+](CCc1cccc(C(F)(F)F)n1)Cc1cc(O)c(O)c(O)c1 ZINC001233009813 1312831767 /nfs/dbraw/zinc/83/17/67/1312831767.db2.gz CCFOKPOHIYMALM-UHFFFAOYSA-N 1 1 342.317 2.892 20 10 EFCDMO Oc1cc(C[N@@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3OCC2CC2)cc(O)c1O ZINC001233011263 1312831890 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COC[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1ccco1 ZINC000877081056 1291129500 /nfs/dbraw/zinc/12/95/00/1291129500.db2.gz TUVZAUUIOPOERM-SFHVURJKSA-N 1 1 330.428 2.718 20 10 EFCDMO C[NH+](C)[C@@H]1CCCN(Cc2c(O)cc(Br)cc2F)C1 ZINC001233031147 1312835819 /nfs/dbraw/zinc/83/58/19/1312835819.db2.gz XMWUWKRVHDSTML-LLVKDONJSA-N 1 1 331.229 2.820 20 10 EFCDMO Oc1cc(Br)cc(F)c1CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC001233030742 1312836583 /nfs/dbraw/zinc/83/65/83/1312836583.db2.gz LXAKKXOKKOMSHL-LBPRGKRZSA-N 1 1 343.240 2.964 20 10 EFCDMO Oc1cc(Br)cc(F)c1CN1CC[N@H+]2CCCC[C@H]2C1 ZINC001233030742 1312836586 /nfs/dbraw/zinc/83/65/86/1312836586.db2.gz LXAKKXOKKOMSHL-LBPRGKRZSA-N 1 1 343.240 2.964 20 10 EFCDMO Oc1cc(Br)cc(F)c1CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC001233031607 1312837207 /nfs/dbraw/zinc/83/72/07/1312837207.db2.gz IBAPQIBLCNQEAN-GFCCVEGCSA-N 1 1 343.240 2.964 20 10 EFCDMO CC[N@H+](Cc1cc2c(cc1O)OCO2)C[C@H](O)c1ccc(C)cc1 ZINC000093641167 1291183352 /nfs/dbraw/zinc/18/33/52/1291183352.db2.gz GFCOQIIQLGMDRU-KRWDZBQOSA-N 1 1 329.396 2.985 20 10 EFCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@H](CN3CCOCC3)C2)cc1F ZINC000093664408 1291189414 /nfs/dbraw/zinc/18/94/14/1291189414.db2.gz MODPTSFZPUFCNF-GOSISDBHSA-N 1 1 349.494 2.826 20 10 EFCDMO OC1CCN(c2ccc(C[N@H+]3CCOCC4(CCC4)C3)cc2)CC1 ZINC000877348308 1291203886 /nfs/dbraw/zinc/20/38/86/1291203886.db2.gz AOHCEVQANQAEAV-UHFFFAOYSA-N 1 1 330.472 2.650 20 10 EFCDMO C[C@]1(CCCO)CCC[N@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877528534 1291262589 /nfs/dbraw/zinc/26/25/89/1291262589.db2.gz DAWQVNXMUGFDKK-HXUWFJFHSA-N 1 1 332.488 2.775 20 10 EFCDMO Cc1cnn([C@@H]2CC[N@@H+](Cc3ccc(N4CCC(O)CC4)cc3)C2)c1 ZINC000877542815 1291267884 /nfs/dbraw/zinc/26/78/84/1291267884.db2.gz SIKGRIDWGCJTKT-LJQANCHMSA-N 1 1 340.471 2.600 20 10 EFCDMO OC1CCN(c2ccc(C[N@H+]3CCOC[C@@H](C4CCC4)C3)cc2)CC1 ZINC000877545272 1291269068 /nfs/dbraw/zinc/26/90/68/1291269068.db2.gz DYHIKUALHPMKIK-IBGZPJMESA-N 1 1 344.499 2.896 20 10 EFCDMO CN1CCC[C@@]2(CC[N@H+](Cc3ccc(N4CCC(O)CC4)cc3)C2)C1 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BSBMNXBQDCYXNT-KRWDZBQOSA-N 1 1 331.504 2.610 20 10 EFCDMO CC(C)(C)[N@H+]1CC[C@H](NCc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877621901 1291295723 /nfs/dbraw/zinc/29/57/23/1291295723.db2.gz BSBMNXBQDCYXNT-KRWDZBQOSA-N 1 1 331.504 2.610 20 10 EFCDMO Oc1cccc2c1CC[N@H+](Cc1ccc(N3CCC(O)CC3)cc1)C2 ZINC000877658389 1291314265 /nfs/dbraw/zinc/31/42/65/1291314265.db2.gz QLIPWTXHYUIIIB-UHFFFAOYSA-N 1 1 338.451 2.912 20 10 EFCDMO COc1ccc(N2CC[NH+](Cc3cccc(F)c3N)CC2)c(OC)c1 ZINC000877708198 1291337830 /nfs/dbraw/zinc/33/78/30/1291337830.db2.gz CWNKRAZBQACMQE-UHFFFAOYSA-N 1 1 345.418 2.747 20 10 EFCDMO CCOc1ccc(O)c(C[N@H+]2CCCN(C(=O)CC(C)C)CC2)c1 ZINC000877775242 1291371086 /nfs/dbraw/zinc/37/10/86/1291371086.db2.gz WJFIKXUTRCRFJR-UHFFFAOYSA-N 1 1 334.460 2.871 20 10 EFCDMO C[N@@H+](CCCOC(F)(F)F)Cc1ccc(N2CCOCC2)cc1 ZINC000877922414 1291417436 /nfs/dbraw/zinc/41/74/36/1291417436.db2.gz CWQLLXDNWFYSHG-UHFFFAOYSA-N 1 1 332.366 2.882 20 10 EFCDMO CC[C@H](C)CCC(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000795775889 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CCC[C@@H](C)NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000127223683 1291726684 /nfs/dbraw/zinc/72/66/84/1291726684.db2.gz VRTOSCRBXFCDDU-SJORKVTESA-N 1 1 347.503 2.648 20 10 EFCDMO CCOC(=O)c1c(C[N@H+]2[C@@H](C)CC[C@H]2CO)c2ccccc2n1C ZINC001233270178 1312889370 /nfs/dbraw/zinc/88/93/70/1312889370.db2.gz DHCOPEVVVDNOFM-KBPBESRZSA-N 1 1 330.428 2.700 20 10 EFCDMO CCOC(=O)c1c(C[N@@H+]2CC[C@@H](F)[C@@H](O)CC2)c2ccccc2n1C ZINC001233270595 1312890058 /nfs/dbraw/zinc/89/00/58/1312890058.db2.gz SPKTTWKKNXULJI-WBVHZDCISA-N 1 1 348.418 2.650 20 10 EFCDMO CCOC(=O)c1c(C[N@@H+](CCCO)C(C)C)c2ccccc2n1C ZINC001233272199 1312890204 /nfs/dbraw/zinc/89/02/04/1312890204.db2.gz BPIUVWITLHAENV-UHFFFAOYSA-N 1 1 332.444 2.948 20 10 EFCDMO CCOC(=O)c1c(C[N@H+]2CCC[C@H](O)[C@H](C)C2)c2ccccc2n1C ZINC001233270640 1312890517 /nfs/dbraw/zinc/89/05/17/1312890517.db2.gz VBDZILANTRWSEF-KDOFPFPSSA-N 1 1 344.455 2.948 20 10 EFCDMO CCOC(=O)c1c(C[N@H+]2CCCO[C@@H](C)C2)c2ccccc2n1C ZINC001233270314 1312890525 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20 10 EFCDMO COc1cc(Cl)cc(C[N@@H+](C(C)C)[C@@H]2CCN(C(C)=O)C2)c1O ZINC001233290447 1312896137 /nfs/dbraw/zinc/89/61/37/1312896137.db2.gz CUCDQWWQULBGKT-OAHLLOKOSA-N 1 1 340.851 2.885 20 10 EFCDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@H](Oc3ncccn3)C2)c1O ZINC001233291377 1312897295 /nfs/dbraw/zinc/89/72/95/1312897295.db2.gz YDZRVNKBABOCEG-AWEZNQCLSA-N 1 1 349.818 2.888 20 10 EFCDMO COc1cc(Cl)cc(C[N@H+]2CC[C@@H](Oc3nccnc3C)C2)c1O ZINC001233291191 1312897593 /nfs/dbraw/zinc/89/75/93/1312897593.db2.gz PQNZWUWZSCCERI-CQSZACIVSA-N 1 1 349.818 2.806 20 10 EFCDMO CN1c2ccccc2[C@]2(CC[N@H+](Cc3c(O)ccc(F)c3F)C2)C1=O ZINC001233334243 1312906093 /nfs/dbraw/zinc/90/60/93/1312906093.db2.gz YXAIARRIWUQMPW-LJQANCHMSA-N 1 1 344.361 2.791 20 10 EFCDMO CN1c2ccccc2[C@]2(CC[N@@H+](Cc3c(O)ccc(F)c3F)C2)C1=O ZINC001233334243 1312906096 /nfs/dbraw/zinc/90/60/96/1312906096.db2.gz YXAIARRIWUQMPW-LJQANCHMSA-N 1 1 344.361 2.791 20 10 EFCDMO CC(C)C(=O)N1CCC[C@]12CC[N@H+](Cc1c(O)ccc(F)c1F)C2 ZINC001233334386 1312906406 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Oc1c(C[N@H+]2CCC[C@H](n3ccnn3)C2)cccc1C(F)(F)F ZINC001233419734 1312928688 /nfs/dbraw/zinc/92/86/88/1312928688.db2.gz KQUCDPNCAMTMND-LBPRGKRZSA-N 1 1 326.322 2.840 20 10 EFCDMO O=C1CCCN1C1CC[NH+](Cc2cccc(C(F)(F)F)c2O)CC1 ZINC001233419444 1312929052 /nfs/dbraw/zinc/92/90/52/1312929052.db2.gz XWQTUPMBAKDSHR-UHFFFAOYSA-N 1 1 342.361 2.998 20 10 EFCDMO C[NH+](C)Cc1cc(NC(=O)NCc2cc(Cl)ccc2O)ccn1 ZINC000880613878 1292560748 /nfs/dbraw/zinc/56/07/48/1292560748.db2.gz XVJBKWIRIVPWFM-UHFFFAOYSA-N 1 1 334.807 2.824 20 10 EFCDMO Oc1cc(C(F)(F)F)ccc1C[N@H+]1CCC[C@H](n2cncn2)C1 ZINC001233454886 1312935313 /nfs/dbraw/zinc/93/53/13/1312935313.db2.gz NQTYGCOJSMQAIN-ZDUSSCGKSA-N 1 1 326.322 2.840 20 10 EFCDMO O=C1C[N@@H+](Cc2ccc(C(F)(F)F)cc2O)CC2(CCCC2)N1 ZINC001233455219 1312935929 /nfs/dbraw/zinc/93/59/29/1312935929.db2.gz BCGWLIFIPXVTBD-UHFFFAOYSA-N 1 1 328.334 2.656 20 10 EFCDMO O=C1C[N@H+](Cc2ccc(C(F)(F)F)cc2O)CC2(CCCC2)N1 ZINC001233455219 1312935931 /nfs/dbraw/zinc/93/59/31/1312935931.db2.gz BCGWLIFIPXVTBD-UHFFFAOYSA-N 1 1 328.334 2.656 20 10 EFCDMO Oc1cc(C(F)(F)F)ccc1C[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC001233455217 1312936213 /nfs/dbraw/zinc/93/62/13/1312936213.db2.gz BBYJUWSTSGZHGI-CYBMUJFWSA-N 1 1 326.322 2.840 20 10 EFCDMO C[C@@H]1CN(Cc2cc(O)c(O)cc2O)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001233482448 1312939891 /nfs/dbraw/zinc/93/98/91/1312939891.db2.gz NZUHUBDPDPMUSH-CABCVRRESA-N 1 1 342.439 2.898 20 10 EFCDMO C[C@@H]1C[N@H+](Cc2cc(O)c(O)cc2O)[C@@H](C)CN1Cc1ccccc1 ZINC001233482448 1312939893 /nfs/dbraw/zinc/93/98/93/1312939893.db2.gz NZUHUBDPDPMUSH-CABCVRRESA-N 1 1 342.439 2.898 20 10 EFCDMO C[C@@H]1C[N@@H+](Cc2cc(O)c(O)cc2O)[C@@H](C)CN1Cc1ccccc1 ZINC001233482448 1312939896 /nfs/dbraw/zinc/93/98/96/1312939896.db2.gz NZUHUBDPDPMUSH-CABCVRRESA-N 1 1 342.439 2.898 20 10 EFCDMO Cc1cccnc1O[C@@H]1CCC[N@@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001233486806 1312940582 /nfs/dbraw/zinc/94/05/82/1312940582.db2.gz CXJLCFSFBOQRJY-CQSZACIVSA-N 1 1 330.384 2.550 20 10 EFCDMO Cc1ccc([C@]2(C)C[N@H+](Cc3cc(O)c(O)cc3O)CCO2)cc1 ZINC001233485640 1312940756 /nfs/dbraw/zinc/94/07/56/1312940756.db2.gz FACFZBKFRBXSOH-IBGZPJMESA-N 1 1 329.396 2.859 20 10 EFCDMO Cc1ccc([C@]2(C)C[N@@H+](Cc3cc(O)c(O)cc3O)CCO2)cc1 ZINC001233485640 1312940759 /nfs/dbraw/zinc/94/07/59/1312940759.db2.gz FACFZBKFRBXSOH-IBGZPJMESA-N 1 1 329.396 2.859 20 10 EFCDMO Oc1ccccc1C[N@H+]1CC[C@H]2O[C@@H](COc3cccnc3)CC[C@H]21 ZINC001203553053 1312955176 /nfs/dbraw/zinc/95/51/76/1312955176.db2.gz ZPCDOQKENSGGAZ-QWFCFKBJSA-N 1 1 340.423 2.988 20 10 EFCDMO O=S1(=O)CC[C@H]([NH2+]Cc2ccc3c(c2)CCO3)c2cc(F)ccc21 ZINC000775499917 1292764187 /nfs/dbraw/zinc/76/41/87/1292764187.db2.gz HDMFUTJHDAXNDS-INIZCTEOSA-N 1 1 347.411 2.769 20 10 EFCDMO CC[C@H]([NH2+][C@H](C)CN1CCN(C)CC1)c1cc(Cl)ccc1O ZINC000775500910 1292783123 /nfs/dbraw/zinc/78/31/23/1292783123.db2.gz AUMQZYBLTOLXNL-CJNGLKHVSA-N 1 1 325.884 2.722 20 10 EFCDMO CC(C)(C)OC(=O)N1CC[C@H]2OCC[N@H+](Cc3ccccc3O)[C@H]2C1 ZINC001203550142 1312953311 /nfs/dbraw/zinc/95/33/11/1312953311.db2.gz JTSVFQOCCPNLPG-DOTOQJQBSA-N 1 1 348.443 2.602 20 10 EFCDMO CC(C)(C)OC(=O)N1CC[C@H]2OCC[N@@H+](Cc3ccccc3O)[C@H]2C1 ZINC001203550142 1312953313 /nfs/dbraw/zinc/95/33/13/1312953313.db2.gz JTSVFQOCCPNLPG-DOTOQJQBSA-N 1 1 348.443 2.602 20 10 EFCDMO Oc1ccccc1C[N@H+]1CC[C@H]2[C@H](CCN2Cc2nccs2)C1 ZINC001203552243 1312954058 /nfs/dbraw/zinc/95/40/58/1312954058.db2.gz GADMBYIATGWHEB-ZBFHGGJFSA-N 1 1 329.469 2.945 20 10 EFCDMO Oc1ccccc1C[N@H+]1CCO[C@H]2[C@H](OCC3CCOCC3)CC[C@@H]21 ZINC001203551772 1312954376 /nfs/dbraw/zinc/95/43/76/1312954376.db2.gz NHAQXYDOXDVDRO-DFQSSKMNSA-N 1 1 347.455 2.567 20 10 EFCDMO Oc1ccccc1C[N@H+]1CCC[C@@]2(C[C@@H](Oc3ccccn3)CO2)C1 ZINC001203555514 1312955002 /nfs/dbraw/zinc/95/50/02/1312955002.db2.gz BOZDXFCVHUUGDA-YLJYHZDGSA-N 1 1 340.423 2.990 20 10 EFCDMO COc1cccc(C[N@H+]2CCc3ncnc(C4CC4)c3CC2)c1O ZINC001203593681 1312965807 /nfs/dbraw/zinc/96/58/07/1312965807.db2.gz PHHLAMQPCMAHPX-UHFFFAOYSA-N 1 1 325.412 2.669 20 10 EFCDMO COc1ccc(CC[N@H+](Cc2cccc(OC)c2O)C[C@H](C)O)cc1 ZINC001203585755 1312963231 /nfs/dbraw/zinc/96/32/31/1312963231.db2.gz TWRTWVALWHQDGI-HNNXBMFYSA-N 1 1 345.439 2.835 20 10 EFCDMO COc1cccc(C[N@H+]2CC[C@@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)c1O ZINC001203590009 1312964842 /nfs/dbraw/zinc/96/48/42/1312964842.db2.gz QLIOPXGPFPXSJG-LSDHHAIUSA-N 1 1 348.443 2.985 20 10 EFCDMO CCOc1cccc(C[N@H+]2C[C@@H]3[C@H](NC(=O)OC(C)(C)C)[C@@H]3C2)c1O ZINC001203603271 1312967999 /nfs/dbraw/zinc/96/79/99/1312967999.db2.gz MGTJXUZLJHAAOZ-MIFYACCESA-N 1 1 348.443 2.746 20 10 EFCDMO COc1ccc(O[C@H]2CCC[N@@H+](Cc3cccc(OC)c3O)C2)nc1 ZINC001203601944 1312968062 /nfs/dbraw/zinc/96/80/62/1312968062.db2.gz SGKQPWCQRCEIIR-INIZCTEOSA-N 1 1 344.411 2.848 20 10 EFCDMO CCOc1cccc(C[N@@H+]2CCc3cnc(SC)nc3C2)c1O ZINC001203614625 1312971258 /nfs/dbraw/zinc/97/12/58/1312971258.db2.gz BYQCWCGASJIBMV-UHFFFAOYSA-N 1 1 331.441 2.861 20 10 EFCDMO CCOc1cccc(C[N@H+]2CCc3cnc(SC)nc3C2)c1O ZINC001203614625 1312971259 /nfs/dbraw/zinc/97/12/59/1312971259.db2.gz BYQCWCGASJIBMV-UHFFFAOYSA-N 1 1 331.441 2.861 20 10 EFCDMO CCOc1cccc(C[N@H+]2CC[C@@]3(C[C@@H](OCC4CC4)CO3)C2)c1O ZINC001203609979 1312970270 /nfs/dbraw/zinc/97/02/70/1312970270.db2.gz QFYWMPMXVJCCAA-YLJYHZDGSA-N 1 1 347.455 2.951 20 10 EFCDMO CCOc1cccc(C[N@H+]2CC[C@@]3(C[C@H](OCC4CC4)CO3)C2)c1O ZINC001203609976 1312970524 /nfs/dbraw/zinc/97/05/24/1312970524.db2.gz QFYWMPMXVJCCAA-FXAWDEMLSA-N 1 1 347.455 2.951 20 10 EFCDMO COc1cccc(C[N@H+]2CC[C@H]3[C@H]2CC(=O)N3c2ccsc2)c1O ZINC001203594431 1312965988 /nfs/dbraw/zinc/96/59/88/1312965988.db2.gz ZATITLGAHCIDMG-LSDHHAIUSA-N 1 1 344.436 2.842 20 10 EFCDMO CCOc1cccc(C[N@H+]2CCC[C@@H](NC(=O)C3CCC3)C2)c1O ZINC001203617324 1312972491 /nfs/dbraw/zinc/97/24/91/1312972491.db2.gz NLGJAGQKRFFDPH-MRXNPFEDSA-N 1 1 332.444 2.672 20 10 EFCDMO CCOc1cccc(C[N@H+]2CCC[C@H](Oc3nccnc3C)C2)c1O ZINC001203617384 1312972641 /nfs/dbraw/zinc/97/26/41/1312972641.db2.gz PGFJPRYRZHKEPZ-INIZCTEOSA-N 1 1 343.427 2.933 20 10 EFCDMO CCOc1cccc(C[N@H+]2CC[C@@H](Oc3nccc(C)n3)C2)c1O ZINC001203617133 1312972653 /nfs/dbraw/zinc/97/26/53/1312972653.db2.gz IWRAYAUCJKZPMX-OAHLLOKOSA-N 1 1 329.400 2.543 20 10 EFCDMO COc1ccc(C[N@H+]2CCCC23CN(C(=O)OC(C)(C)C)C3)c(O)c1 ZINC001203621354 1312973237 /nfs/dbraw/zinc/97/32/37/1312973237.db2.gz BJTQTWYSULUBCW-UHFFFAOYSA-N 1 1 348.443 2.986 20 10 EFCDMO CCOC[C@H]1C[N@H+](Cc2ccc(OC)cc2O)Cc2nn(CC)cc21 ZINC001203623562 1312973927 /nfs/dbraw/zinc/97/39/27/1312973927.db2.gz UHTFTTGWNLXOAO-OAHLLOKOSA-N 1 1 345.443 2.753 20 10 EFCDMO CCOC[C@H]1C[N@@H+](Cc2ccc(OC)cc2O)Cc2nn(CC)cc21 ZINC001203623562 1312973929 /nfs/dbraw/zinc/97/39/29/1312973929.db2.gz UHTFTTGWNLXOAO-OAHLLOKOSA-N 1 1 345.443 2.753 20 10 EFCDMO COCC[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1ccc(OC)cc1O)C2 ZINC001203623625 1312974576 /nfs/dbraw/zinc/97/45/76/1312974576.db2.gz VJCORIAGXRQZLK-HNAYVOBHSA-N 1 1 335.444 2.808 20 10 EFCDMO COc1ccc(C[NH+]2CCN(C(=O)Nc3ccccc3)CC2)c(O)c1 ZINC001203628030 1312975297 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COC(=O)[C@@H]1CCC[N@@H+](Cc2cc(Br)ccc2O)[C@@H]1C ZINC001203645954 1312979624 /nfs/dbraw/zinc/97/96/24/1312979624.db2.gz WXVSCUGAEXUMRW-ZWNOBZJWSA-N 1 1 342.233 2.928 20 10 EFCDMO Oc1ccc(Cl)cc1C[N@H+]1CC[C@@]2(CCN2c2ncccn2)C1 ZINC001203655741 1312982190 /nfs/dbraw/zinc/98/21/90/1312982190.db2.gz CADHOINOCWRBRM-QGZVFWFLSA-N 1 1 330.819 2.690 20 10 EFCDMO CCOC[C@@H]1C[N@H+](Cc2cc(Cl)ccc2O)Cc2cnn(C)c21 ZINC001203656148 1312982270 /nfs/dbraw/zinc/98/22/70/1312982270.db2.gz JNSBJFSXLJBDKY-AWEZNQCLSA-N 1 1 335.835 2.915 20 10 EFCDMO CCOC[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2O)Cc2cnn(C)c21 ZINC001203656148 1312982272 /nfs/dbraw/zinc/98/22/72/1312982272.db2.gz JNSBJFSXLJBDKY-AWEZNQCLSA-N 1 1 335.835 2.915 20 10 EFCDMO COc1ccc(O)c(C[N@H+]2CC[C@H](F)[C@@](O)(C(F)(F)F)CC2)c1 ZINC001203670292 1312985396 /nfs/dbraw/zinc/98/53/96/1312985396.db2.gz MKZWYKBHISVBTQ-UONOGXRCSA-N 1 1 337.313 2.628 20 10 EFCDMO COc1ccc(CC[N@H+](Cc2cc(OC)ccc2O)C[C@H](C)O)cc1 ZINC001203670375 1312985850 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Oc1c(C[N@H+]2CCOC3(CCOCC3)C2)cccc1OC(F)(F)F ZINC001233768333 1312987843 /nfs/dbraw/zinc/98/78/43/1312987843.db2.gz PJRMJTPSQPNEDB-UHFFFAOYSA-N 1 1 347.333 2.672 20 10 EFCDMO COc1ccc(O)c(C[NH+]2CCN(C(=O)c3ccccc3C)CC2)c1 ZINC001203680079 1312989026 /nfs/dbraw/zinc/98/90/26/1312989026.db2.gz CPDBLDPUQOBZJF-UHFFFAOYSA-N 1 1 340.423 2.667 20 10 EFCDMO C[NH+]1CCC2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1 ZINC001193611593 1293365849 /nfs/dbraw/zinc/36/58/49/1293365849.db2.gz ISVWDJNEUZCWEQ-UHFFFAOYSA-N 1 1 338.835 2.699 20 10 EFCDMO C[NH+](C)Cc1cccc(CNC(=O)c2cc(O)c(O)c(Cl)c2)c1 ZINC001193626331 1293374011 /nfs/dbraw/zinc/37/40/11/1293374011.db2.gz UXZZUTCCEIMVLE-UHFFFAOYSA-N 1 1 334.803 2.743 20 10 EFCDMO C[C@@H](CNC(=O)c1cc(O)c(O)c(Cl)c1)CC(C)(C)CC[NH3+] ZINC001193633981 1293378312 /nfs/dbraw/zinc/37/83/12/1293378312.db2.gz NFBCDUJMGFEVAX-SNVBAGLBSA-N 1 1 328.840 2.882 20 10 EFCDMO CC(=N)N(Cc1cccc(C[NH3+])c1)C(=O)c1cc(O)c(O)c(Cl)c1 ZINC001193635521 1293378332 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C[C@@H]([NH2+]Cc1ccc(N2CCN(C)CC2)cc1)c1cccc(CO)c1 ZINC000883290060 1293532513 /nfs/dbraw/zinc/53/25/13/1293532513.db2.gz JOLIEHGCRSNJKN-QGZVFWFLSA-N 1 1 339.483 2.782 20 10 EFCDMO CC[C@H](C)N1C[C@]2(CC1=O)CCCC[N@H+]2Cc1c(O)cc(O)cc1O ZINC001273671191 1293547781 /nfs/dbraw/zinc/54/77/81/1293547781.db2.gz XVVKESCAVALKME-ORAYPTAESA-N 1 1 348.443 2.559 20 10 EFCDMO C[N@@H+](C/C=C/Cl)[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001194374046 1293602643 /nfs/dbraw/zinc/60/26/43/1293602643.db2.gz BKPJNSXHTMVMOZ-JRVQNELISA-N 1 1 349.822 2.748 20 10 EFCDMO CN1CCN(c2ccc(C[N@H+](C)Cc3ccccc3O)cc2)CC1 ZINC000775655746 1293929262 /nfs/dbraw/zinc/92/92/62/1293929262.db2.gz LDJXHOZOIJSAOG-UHFFFAOYSA-N 1 1 325.456 2.776 20 10 EFCDMO CN1CCN(c2ccc(C[N@@H+](C)Cc3ccccc3O)cc2)CC1 ZINC000775655746 1293929266 /nfs/dbraw/zinc/92/92/66/1293929266.db2.gz LDJXHOZOIJSAOG-UHFFFAOYSA-N 1 1 325.456 2.776 20 10 EFCDMO CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](Cc3ccc(O)c(O)c3)CC[C@@H]2C1 ZINC001203875619 1313038710 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C[C@@H]([NH2+]CCN1C(=O)COc2ccccc21)c1c(O)cccc1F ZINC001332366255 1330963765 /nfs/dbraw/zinc/96/37/65/1330963765.db2.gz VZMTYGGTFYOOEG-GFCCVEGCSA-N 1 1 330.359 2.608 20 10 EFCDMO COc1ccc(C[N@@H+](Cc2ccccc2)[C@H](C)CO)c(O)c1OC ZINC001334140739 1331254789 /nfs/dbraw/zinc/25/47/89/1331254789.db2.gz NOKIPMPQRJHYBA-CQSZACIVSA-N 1 1 331.412 2.792 20 10 EFCDMO CC(C)[N@H+]1CCC[C@H]1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC001334877310 1331322139 /nfs/dbraw/zinc/32/21/39/1331322139.db2.gz HOJKKWUQQMCBOY-SFHVURJKSA-N 1 1 347.528 2.729 20 10 EFCDMO C[C@@H](CCNC(=O)NCc1ccc(N)cc1)[N@@H+](C)Cc1ccccc1 ZINC001336052493 1331430515 /nfs/dbraw/zinc/43/05/15/1331430515.db2.gz ZGVAPQBYNKYAOV-INIZCTEOSA-N 1 1 340.471 2.979 20 10 EFCDMO COc1ccc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c(O)c1OC ZINC001336685727 1331491967 /nfs/dbraw/zinc/49/19/67/1331491967.db2.gz JIRAMELBJAMABN-UHFFFAOYSA-N 1 1 344.367 2.876 20 10 EFCDMO COc1ccc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c(O)c1OC ZINC001336685727 1331491968 /nfs/dbraw/zinc/49/19/68/1331491968.db2.gz JIRAMELBJAMABN-UHFFFAOYSA-N 1 1 344.367 2.876 20 10 EFCDMO CC(C)[N@@H+](C)CC1CCN(c2nnc(C3SC=CC3=O)n2C)CC1 ZINC001338087224 1331648960 /nfs/dbraw/zinc/64/89/60/1331648960.db2.gz LJVSIIKAPHLACZ-UHFFFAOYSA-N 1 1 349.504 2.806 20 10 EFCDMO CN1CCN(CCC(C)(C)[NH2+]Cc2ccc(N3CCCC3)cc2)CC1 ZINC001338184820 1331668688 /nfs/dbraw/zinc/66/86/88/1331668688.db2.gz APDWFGZHTVGMAE-UHFFFAOYSA-N 1 1 344.547 2.793 20 10 EFCDMO CSCCC[N@@H+](C)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001339826739 1332105155 /nfs/dbraw/zinc/10/51/55/1332105155.db2.gz QYSXPUOQXPRAFS-UHFFFAOYSA-N 1 1 325.497 2.762 20 10 EFCDMO CCn1c(C2SC=CC2=O)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC001340903200 1332219170 /nfs/dbraw/zinc/21/91/70/1332219170.db2.gz NBNCOGSPLOGMMZ-RYUDHWBXSA-N 1 1 335.477 2.651 20 10 EFCDMO CCn1c(C2SC=CC2=O)nnc1N1C[C@H](C)[N@@H+](CC)C[C@@H]1C ZINC001340903200 1332219171 /nfs/dbraw/zinc/21/91/71/1332219171.db2.gz NBNCOGSPLOGMMZ-RYUDHWBXSA-N 1 1 335.477 2.651 20 10 EFCDMO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2Cc1ccc(N2CCCC2)cc1 ZINC001341604223 1332270676 /nfs/dbraw/zinc/27/06/76/1332270676.db2.gz GMLCXCFLKJIDTI-HKBOAZHASA-N 1 1 343.515 2.970 20 10 EFCDMO Cc1ccc([C@@H]([NH2+]Cc2ccc(N)cc2)[C@@H](C)S(C)(=O)=O)cc1 ZINC001345159121 1332514141 /nfs/dbraw/zinc/51/41/41/1332514141.db2.gz BXUKXYIHCWFLSL-KDOFPFPSSA-N 1 1 332.469 2.841 20 10 EFCDMO Cc1ccc([C@H]([NH2+]Cc2ccc(N)cc2)[C@@H](C)S(C)(=O)=O)cc1 ZINC001345159125 1332514198 /nfs/dbraw/zinc/51/41/98/1332514198.db2.gz BXUKXYIHCWFLSL-RDTXWAMCSA-N 1 1 332.469 2.841 20 10 EFCDMO Cc1c[nH+]ccc1OC1CCN(C(=O)NCc2ccc(N)cc2)CC1 ZINC001346738697 1332680489 /nfs/dbraw/zinc/68/04/89/1332680489.db2.gz JNJDBEQZHUFHOM-UHFFFAOYSA-N 1 1 340.427 2.725 20 10 EFCDMO CN(C)c1ccc(CNC(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1F ZINC000847301709 1333508077 /nfs/dbraw/zinc/50/80/77/1333508077.db2.gz BUZRIZOEHTWCOW-SJLPKXTDSA-N 1 1 348.466 2.708 20 10 EFCDMO C[NH+](C)[C@@H](C(=O)NCCc1ccc(O)c(O)c1)c1ccc(Cl)cc1 ZINC000847590450 1333959384 /nfs/dbraw/zinc/95/93/84/1333959384.db2.gz YTXJUAOQRPENSZ-QGZVFWFLSA-N 1 1 348.830 2.713 20 10 EFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H]2CCCN3CCCC[C@H]23)c1 ZINC000848569003 1334798883 /nfs/dbraw/zinc/79/88/83/1334798883.db2.gz UUGZRWXQXPOPRZ-RRQGHBQHSA-N 1 1 332.444 2.846 20 10 EFCDMO CCc1cccc(C[NH+]2CCN(C(=O)c3ccc(O)cc3)CC2)c1O ZINC000848881877 1334958441 /nfs/dbraw/zinc/95/84/41/1334958441.db2.gz IYSZRAQVWZMIHU-UHFFFAOYSA-N 1 1 340.423 2.618 20 10 EFCDMO CCc1cccc(C[N@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)c1O ZINC000848885312 1334960877 /nfs/dbraw/zinc/96/08/77/1334960877.db2.gz IQEKUWDQXRKFRM-MRXNPFEDSA-N 1 1 326.444 2.872 20 10 EFCDMO CCc1cccc(C[N@@H+](C)[C@@H]2CCCC[C@H]2S(C)(=O)=O)c1O ZINC000848888258 1334963225 /nfs/dbraw/zinc/96/32/25/1334963225.db2.gz PZOXEKAJZVWKOZ-HZPDHXFCSA-N 1 1 325.474 2.742 20 10 EFCDMO CCc1cccc(C[N@H+]2CCC[C@H]([C@@H](O)c3nccn3C)C2)c1O ZINC000848890196 1334964874 /nfs/dbraw/zinc/96/48/74/1334964874.db2.gz PXIOBNNKHVABLI-FUHWJXTLSA-N 1 1 329.444 2.634 20 10 EFCDMO CCc1cccc(C[NH2+]C2CCN([C@H]3CCCC[C@H]3O)CC2)c1O ZINC000848899987 1334972060 /nfs/dbraw/zinc/97/20/60/1334972060.db2.gz WIACSLXFQUVSGG-RBUKOAKNSA-N 1 1 332.488 2.812 20 10 EFCDMO CCOC(=O)[C@]1(COC)CCC[N@@H+](Cc2cccc(CC)c2O)C1 ZINC000848908797 1334976652 /nfs/dbraw/zinc/97/66/52/1334976652.db2.gz DLUWJWURKUZGBS-LJQANCHMSA-N 1 1 335.444 2.746 20 10 EFCDMO CCc1cccc(C[N@H+]2CC[C@](C(=O)OC)(C(F)(F)F)C2)c1O ZINC000848911324 1334980358 /nfs/dbraw/zinc/98/03/58/1334980358.db2.gz TUVNFJIVQDVLIB-HNNXBMFYSA-N 1 1 331.334 2.882 20 10 EFCDMO CC1(C)C(=O)N[C@H]1C1CC[NH+](Cc2c(O)ccc(Cl)c2F)CC1 ZINC000848920471 1334986790 /nfs/dbraw/zinc/98/67/90/1334986790.db2.gz HHKBTYNPFPGENJ-HNNXBMFYSA-N 1 1 340.826 2.921 20 10 EFCDMO C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H](OC4CCC4)C3)cc2)CC1 ZINC000848925021 1334991173 /nfs/dbraw/zinc/99/11/73/1334991173.db2.gz LDNPQAYBNOPIOT-OAQYLSRUSA-N 1 1 343.515 2.972 20 10 EFCDMO CN1CCN(c2ccc(C[N@@H+]3CCC[C@@H](OC4CCC4)C3)cc2)CC1 ZINC000848925021 1334991174 /nfs/dbraw/zinc/99/11/74/1334991174.db2.gz LDNPQAYBNOPIOT-OAQYLSRUSA-N 1 1 343.515 2.972 20 10 EFCDMO CN1CCN(c2ccc(C[N@H+]3CCC[C@@H](OC4CCC4)C3)cc2)CC1 ZINC000848925021 1334991177 /nfs/dbraw/zinc/99/11/77/1334991177.db2.gz LDNPQAYBNOPIOT-OAQYLSRUSA-N 1 1 343.515 2.972 20 10 EFCDMO CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cc(Cl)cc(Cl)c1[O-] ZINC000849077857 1335070183 /nfs/dbraw/zinc/07/01/83/1335070183.db2.gz QSLNFZIXVDTIOW-GFCCVEGCSA-N 1 1 345.274 2.797 20 10 EFCDMO CN(Cc1ccccc1O)C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000175941291 714135142 /nfs/dbraw/zinc/13/51/42/714135142.db2.gz HYNFESAFRZCYRA-UHFFFAOYSA-N 1 1 345.418 2.805 20 10 EFCDMO COC(=O)CC[N@@H+](Cc1cc(F)cc(C(C)=O)c1O)CC(C)C ZINC000177269487 717965796 /nfs/dbraw/zinc/96/57/96/717965796.db2.gz VWLRLDWQDFPFAS-UHFFFAOYSA-N 1 1 325.380 2.755 20 10 EFCDMO COC(=O)CC[N@H+](Cc1cc(F)cc(C(C)=O)c1O)CC(C)C ZINC000177269487 717965798 /nfs/dbraw/zinc/96/57/98/717965798.db2.gz VWLRLDWQDFPFAS-UHFFFAOYSA-N 1 1 325.380 2.755 20 10 EFCDMO CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000050901235 714508827 /nfs/dbraw/zinc/50/88/27/714508827.db2.gz MOKZZFMXJZFTGN-KBPBESRZSA-N 1 1 348.443 2.638 20 10 EFCDMO COc1ccc(CN2CC[NH+](Cc3cccs3)CC2)c(O)c1OC ZINC000891509843 714791809 /nfs/dbraw/zinc/79/18/09/714791809.db2.gz PMJLUNXRCRUDQZ-UHFFFAOYSA-N 1 1 348.468 2.789 20 10 EFCDMO COc1ccc(C[NH+]2CCN(Cc3cccs3)CC2)c(O)c1OC ZINC000891509843 714791811 /nfs/dbraw/zinc/79/18/11/714791811.db2.gz PMJLUNXRCRUDQZ-UHFFFAOYSA-N 1 1 348.468 2.789 20 10 EFCDMO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccc(O)c(F)c1 ZINC000891526476 714800883 /nfs/dbraw/zinc/80/08/83/714800883.db2.gz MOJZMDWOMVSVPG-UHFFFAOYSA-N 1 1 330.403 3.000 20 10 EFCDMO COc1ccc(C[N@H+]2CCC[C@@H](OCC(F)(F)F)C2)c(O)c1OC ZINC000891700555 714960625 /nfs/dbraw/zinc/96/06/25/714960625.db2.gz ZZAZFCFYBAIYMX-GFCCVEGCSA-N 1 1 349.349 2.953 20 10 EFCDMO COC(=O)[C@H](C)Oc1ccccc1C[N@@H+](C)Cc1ccccc1O ZINC000891714255 714970702 /nfs/dbraw/zinc/97/07/02/714970702.db2.gz UEJMMCYNIAJJIP-AWEZNQCLSA-N 1 1 329.396 2.965 20 10 EFCDMO COc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCCN3C3CC3)C2)c(O)c1OC ZINC000892237470 715400719 /nfs/dbraw/zinc/40/07/19/715400719.db2.gz ZQLSSKNMMMUEEF-RHSMWYFYSA-N 1 1 346.471 2.858 20 10 EFCDMO COc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCCN3C3CC3)C2)c(O)c1OC ZINC000892237470 715400721 /nfs/dbraw/zinc/40/07/21/715400721.db2.gz ZQLSSKNMMMUEEF-RHSMWYFYSA-N 1 1 346.471 2.858 20 10 EFCDMO COc1cc(C(=O)N[C@@H]2CC[N@@H+](CCC(C)C)[C@@H](C)C2)cc(OC)n1 ZINC000947497596 715422593 /nfs/dbraw/zinc/42/25/93/715422593.db2.gz JVCNBCKYDRIMMF-GOEBONIOSA-N 1 1 349.475 2.728 20 10 EFCDMO CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cccc(Br)c2[O-])C1 ZINC000048797601 715508267 /nfs/dbraw/zinc/50/82/67/715508267.db2.gz LILJJLWRHGZOIN-GFCCVEGCSA-N 1 1 327.266 2.975 20 10 EFCDMO CCC(CC)NC(=O)[C@H](C)[N@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000052466731 716197558 /nfs/dbraw/zinc/19/75/58/716197558.db2.gz RVCHYLNETLYNJD-INIZCTEOSA-N 1 1 347.503 2.901 20 10 EFCDMO CC[C@@H]([NH2+]CCOCC[NH+](C)C)c1cc(Br)ccc1[O-] ZINC000219315712 716386186 /nfs/dbraw/zinc/38/61/86/716386186.db2.gz RCBBQVCLSCJRSP-CQSZACIVSA-N 1 1 345.281 2.774 20 10 EFCDMO COc1ccc(N2CC[NH+]([C@H](C)C(=O)N3CCCCCC3)CC2)cc1 ZINC000052636426 716408654 /nfs/dbraw/zinc/40/86/54/716408654.db2.gz JOONRECLKNAYSK-QGZVFWFLSA-N 1 1 345.487 2.608 20 10 EFCDMO [O-]c1c(Br)cccc1C[N@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000179371521 717411483 /nfs/dbraw/zinc/41/14/83/717411483.db2.gz ZHHSXWQQNXYTSD-GFCCVEGCSA-N 1 1 342.233 2.740 20 10 EFCDMO Oc1c(Br)cccc1C[N@@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000179371521 717411485 /nfs/dbraw/zinc/41/14/85/717411485.db2.gz ZHHSXWQQNXYTSD-GFCCVEGCSA-N 1 1 342.233 2.740 20 10 EFCDMO Oc1c(Br)cccc1C[N@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000179371521 717411487 /nfs/dbraw/zinc/41/14/87/717411487.db2.gz ZHHSXWQQNXYTSD-GFCCVEGCSA-N 1 1 342.233 2.740 20 10 EFCDMO COc1ccc(N2CCCN(C(=O)[C@H]3CC[N@H+]3C(C)(C)C)CC2)cc1 ZINC000895809446 724320283 /nfs/dbraw/zinc/32/02/83/724320283.db2.gz KMCVSJZDPCSIRI-GOSISDBHSA-N 1 1 345.487 2.607 20 10 EFCDMO CCC[N@@H+](Cc1cc2c(cc1O)CCCC2)[C@H]1CCS(=O)(=O)C1 ZINC000179435372 717462335 /nfs/dbraw/zinc/46/23/35/717462335.db2.gz UZJFSXYEXHAHDY-KRWDZBQOSA-N 1 1 337.485 2.670 20 10 EFCDMO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCSC(C)(C)C2)cc1 ZINC000177511504 718070115 /nfs/dbraw/zinc/07/01/15/718070115.db2.gz HUQSSEBXWWKZDA-UHFFFAOYSA-N 1 1 335.517 2.538 20 10 EFCDMO Cc1ccc(C(=O)NC[C@@H](C)[N@H+]2CCc3ccccc3C2)c(O)c1O ZINC000177676747 718158463 /nfs/dbraw/zinc/15/84/63/718158463.db2.gz ILMILPJCNDVNIR-CQSZACIVSA-N 1 1 340.423 2.583 20 10 EFCDMO COc1ccc(O)c([C@H](C)[NH2+]Cc2nn(C)cc2Br)c1 ZINC000393321680 718287413 /nfs/dbraw/zinc/28/74/13/718287413.db2.gz CBVOXQDIJLDPRG-VIFPVBQESA-N 1 1 340.221 2.748 20 10 EFCDMO C[C@@H](NC[C@@H](C1CC1)[NH+](C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000166229356 718605239 /nfs/dbraw/zinc/60/52/39/718605239.db2.gz DRKDEOIMPDPKST-KUHUBIRLSA-N 1 1 335.467 2.653 20 10 EFCDMO COC(=O)CC[N@H+](Cc1c(O)cccc1Cl)C[C@@H]1CCCO1 ZINC000127299763 724570665 /nfs/dbraw/zinc/57/06/65/724570665.db2.gz WYMRYHIGODAHQI-LBPRGKRZSA-N 1 1 327.808 2.590 20 10 EFCDMO CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001025631453 719259244 /nfs/dbraw/zinc/25/92/44/719259244.db2.gz BJRKOEYTYSUCBM-JSGCOSHPSA-N 1 1 331.420 2.699 20 10 EFCDMO COCCC[N@@H+](CCOC)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000122541683 719326537 /nfs/dbraw/zinc/32/65/37/719326537.db2.gz WNDUAHSXVYEHHX-UHFFFAOYSA-N 1 1 325.449 2.880 20 10 EFCDMO C[C@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)[N@@H+](C)Cc1ccccc1 ZINC000181065282 720002845 /nfs/dbraw/zinc/00/28/45/720002845.db2.gz YTLYINAKDBJUSZ-SLZMIMFISA-N 1 1 340.423 2.748 20 10 EFCDMO O=C(CC1CC[NH+](Cc2cc(F)cc(F)c2O)CC1)N1CCCC1 ZINC000893967014 720187743 /nfs/dbraw/zinc/18/77/43/720187743.db2.gz VGFWCOHAHRCGHG-UHFFFAOYSA-N 1 1 338.398 2.895 20 10 EFCDMO COc1cc(C)cc(C[N@H+]2CCCN(Cc3cscn3)CC2)c1O ZINC000893998184 720203191 /nfs/dbraw/zinc/20/31/91/720203191.db2.gz CXNJDBREMIYYGQ-UHFFFAOYSA-N 1 1 347.484 2.874 20 10 EFCDMO COC(=O)C[C@H]1CCC[N@H+]1Cc1cc(Br)cc(F)c1[O-] ZINC000894049037 720248185 /nfs/dbraw/zinc/24/81/85/720248185.db2.gz CUOGOKTYDWSEFR-LLVKDONJSA-N 1 1 346.196 2.821 20 10 EFCDMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001028340650 720400031 /nfs/dbraw/zinc/40/00/31/720400031.db2.gz UGMGPLVGRXIUCS-OAHLLOKOSA-N 1 1 331.420 2.699 20 10 EFCDMO COc1cc(Br)cc(CN2CC[N@@H+](C)[C@@H](C)[C@H]2C)c1O ZINC000775987829 720732994 /nfs/dbraw/zinc/73/29/94/720732994.db2.gz WKWMKZRNTSUNMA-WDEREUQCSA-N 1 1 343.265 2.688 20 10 EFCDMO COC[C@@H]1C[N@@H+](Cc2c(O)ccc3ccc(OC)cc32)C[C@H](C)O1 ZINC000249769105 720793629 /nfs/dbraw/zinc/79/36/29/720793629.db2.gz JEMSYWGDCJIQPV-BBRMVZONSA-N 1 1 331.412 2.790 20 10 EFCDMO NC(=O)CC[C@@H]1CCC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000092659880 720983170 /nfs/dbraw/zinc/98/31/70/720983170.db2.gz MIBASPZOXAFQMO-NSHDSACASA-N 1 1 341.249 2.632 20 10 EFCDMO COc1cccc(C[N@H+](C)CC(=O)NCCC2=CCCCC2)c1O ZINC000897377868 724740251 /nfs/dbraw/zinc/74/02/51/724740251.db2.gz AUKQKNTYUMURDI-UHFFFAOYSA-N 1 1 332.444 2.839 20 10 EFCDMO COc1cccc(C[N@@H+](C)CC(=O)NCCC2=CCCCC2)c1O ZINC000897377868 724740254 /nfs/dbraw/zinc/74/02/54/724740254.db2.gz AUKQKNTYUMURDI-UHFFFAOYSA-N 1 1 332.444 2.839 20 10 EFCDMO COc1ccc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)c(O)c1OC ZINC000894272881 721867498 /nfs/dbraw/zinc/86/74/98/721867498.db2.gz MBGOTYINBOKORE-UHFFFAOYSA-N 1 1 346.383 2.992 20 10 EFCDMO COc1ccc2c(c1)OCC[N@@H+](Cc1ccc(OC)c(OC)c1O)C2 ZINC000894278701 721899464 /nfs/dbraw/zinc/89/94/64/721899464.db2.gz XYEBZOOESOZASU-UHFFFAOYSA-N 1 1 345.395 2.813 20 10 EFCDMO COc1ccc2c(c1)OCC[N@H+](Cc1ccc(OC)c(OC)c1O)C2 ZINC000894278701 721899466 /nfs/dbraw/zinc/89/94/66/721899466.db2.gz XYEBZOOESOZASU-UHFFFAOYSA-N 1 1 345.395 2.813 20 10 EFCDMO COc1ccc(C[N@H+]2CCC[C@@](O)(C(F)(F)F)CC2)c(O)c1OC ZINC000894419863 722731656 /nfs/dbraw/zinc/73/16/56/722731656.db2.gz VPLGZIPVPKYWQE-HNNXBMFYSA-N 1 1 349.349 2.689 20 10 EFCDMO C[S@@](=O)C[C@H]([NH2+]Cc1cc(F)cc(F)c1O)c1ccccc1 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CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccc(O)c(C)c1O ZINC001272660099 1111951050 /nfs/dbraw/zinc/95/10/50/1111951050.db2.gz JTHQOZKDBLTBSV-HZPDHXFCSA-N 1 1 332.444 2.772 20 10 EFCDMO CCC[N@H+]1CC[C@H](NC(=O)c2cc(OC)nc(OC)c2)CC(C)(C)C1 ZINC001089430295 1112124031 /nfs/dbraw/zinc/12/40/31/1112124031.db2.gz KCVHNXRKYUSPRW-HNNXBMFYSA-N 1 1 349.475 2.729 20 10 EFCDMO CCc1nc(N2CC=C(CCNC(=O)C=C(C)C)CC2)cc(C)[nH+]1 ZINC001089799866 1113037281 /nfs/dbraw/zinc/03/72/81/1113037281.db2.gz FJAJJWUREQEOOR-UHFFFAOYSA-N 1 1 328.460 2.956 20 10 EFCDMO Cc1cc(N2CC=C(CCNC(=O)c3cncs3)CC2)nc(C)[nH+]1 ZINC001089808531 1113067008 /nfs/dbraw/zinc/06/70/08/1113067008.db2.gz JPOKYMSXGJDMNJ-UHFFFAOYSA-N 1 1 343.456 2.507 20 10 EFCDMO CO[C@@H]1CC[N@@H+](Cc2cc(O)c(Br)cc2O)[C@@H](C)C1 ZINC001236763811 1117924932 /nfs/dbraw/zinc/92/49/32/1117924932.db2.gz CMRVSUQTCFLCST-GXSJLCMTSA-N 1 1 330.222 2.860 20 10 EFCDMO CO[C@@H](C)CCC(=O)NCCC1=CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC001089828041 1117991030 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EFCDMO CC[C@@H]1C[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)CCS1 ZINC000174356361 529385436 /nfs/dbraw/zinc/38/54/36/529385436.db2.gz MZIKREVRNSBHKJ-QGZVFWFLSA-N 1 1 335.517 2.538 20 10 EFCDMO O=C(NCc1ccc(O)c(O)c1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000159058607 239019523 /nfs/dbraw/zinc/01/95/23/239019523.db2.gz BSEZZWBGWNOVTL-KRWDZBQOSA-N 1 1 340.423 2.626 20 10 EFCDMO COc1cc(O)c(C[N@@H+](C)Cc2ccc([S@@](C)=O)cc2)cc1OC ZINC000160363795 239049656 /nfs/dbraw/zinc/04/96/56/239049656.db2.gz IOSYKRPLDBZYLW-DEOSSOPVSA-N 1 1 349.452 2.779 20 10 EFCDMO Oc1ccc2ccccc2c1C[N@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000172935504 239176621 /nfs/dbraw/zinc/17/66/21/239176621.db2.gz JLNPPQCQTQDAJL-INIZCTEOSA-N 1 1 326.440 2.700 20 10 EFCDMO CCOc1cccc(C[N@@H+]2CCSC[C@H]2c2cnn(C)c2)c1O ZINC000191750492 240006126 /nfs/dbraw/zinc/00/61/26/240006126.db2.gz ZTUJUJBAXJEKDB-HNNXBMFYSA-N 1 1 333.457 2.815 20 10 EFCDMO CCOc1cccc(C[N@H+]2CCSC[C@H]2c2cnn(C)c2)c1O ZINC000191750492 240006134 /nfs/dbraw/zinc/00/61/34/240006134.db2.gz ZTUJUJBAXJEKDB-HNNXBMFYSA-N 1 1 333.457 2.815 20 10 EFCDMO Oc1cc2c(cc1C[NH2+]C[C@H]1CCN(Cc3ccccc3)C1)OCO2 ZINC000192929626 240073025 /nfs/dbraw/zinc/07/30/25/240073025.db2.gz SVDFKWPGMJGPEI-MRXNPFEDSA-N 1 1 340.423 2.733 20 10 EFCDMO Cc1nc(C[NH+]2CCC(C(=O)Nc3ccc(N)cc3)CC2)cs1 ZINC000237719890 240245546 /nfs/dbraw/zinc/24/55/46/240245546.db2.gz JSTQFIGFOBGYKW-UHFFFAOYSA-N 1 1 330.457 2.884 20 10 EFCDMO C[C@H](c1ccc(NC(=O)Cc2ccc(N)cc2)cc1)[NH+]1CCOCC1 ZINC000237399477 240244158 /nfs/dbraw/zinc/24/41/58/240244158.db2.gz TWBOBDVNIJCNBA-OAHLLOKOSA-N 1 1 339.439 2.843 20 10 EFCDMO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@H](C)CN2CCN(C)CC2)cc1 ZINC000247099271 240276772 /nfs/dbraw/zinc/27/67/72/240276772.db2.gz SGLXRGCLDJDWKG-ZWKOTPCHSA-N 1 1 332.536 2.677 20 10 EFCDMO CN(C)c1ccc(CN(C)C(=O)C[N@H+](C)Cc2cccs2)cc1 ZINC000263836356 240392522 /nfs/dbraw/zinc/39/25/22/240392522.db2.gz GYQMCPYRPAIAPH-UHFFFAOYSA-N 1 1 331.485 2.905 20 10 EFCDMO CN(C)c1ccc(CN(C)C(=O)C[N@@H+](C)Cc2cccs2)cc1 ZINC000263836356 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EFCDMO Cc1cc(C(=O)N2CCC[N@H+]3CCC[C@H]3C2)c(C)n1-c1ccccn1 ZINC000363036903 242271000 /nfs/dbraw/zinc/27/10/00/242271000.db2.gz SYEXVZAZWLBFHH-KRWDZBQOSA-N 1 1 338.455 2.799 20 10 EFCDMO CC(C)OCC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000363713147 242279457 /nfs/dbraw/zinc/27/94/57/242279457.db2.gz DMYVREZMABTQMK-OAHLLOKOSA-N 1 1 340.851 2.551 20 10 EFCDMO COc1cc(Cl)cc(C[N@@H+]2C[C@@H](C)O[C@]3(CCCOC3)C2)c1O ZINC000366494677 242354764 /nfs/dbraw/zinc/35/47/64/242354764.db2.gz ZNCGICJWTQVNEZ-SJKOYZFVSA-N 1 1 341.835 2.824 20 10 EFCDMO COc1cc(Cl)cc(C[N@H+]2C[C@@H](C)O[C@]3(CCCOC3)C2)c1O ZINC000366494677 242354770 /nfs/dbraw/zinc/35/47/70/242354770.db2.gz ZNCGICJWTQVNEZ-SJKOYZFVSA-N 1 1 341.835 2.824 20 10 EFCDMO COc1cc(Cl)cc(C[N@@H+]2C[C@H](C)O[C@@]3(CCCOC3)C2)c1O ZINC000366494676 242355036 /nfs/dbraw/zinc/35/50/36/242355036.db2.gz ZNCGICJWTQVNEZ-SJCJKPOMSA-N 1 1 341.835 2.824 20 10 EFCDMO COc1cc(Cl)cc(C[N@H+]2C[C@H](C)O[C@@]3(CCCOC3)C2)c1O ZINC000366494676 242355040 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/nfs/dbraw/zinc/36/71/38/277367138.db2.gz VUEHXEPCHZPQJE-SNVBAGLBSA-N 1 1 330.222 2.632 20 10 EFCDMO COc1ccccc1N1CC[C@H]([NH2+][C@H](C)c2ccc(F)cc2O)C1=O ZINC000186102108 278056180 /nfs/dbraw/zinc/05/61/80/278056180.db2.gz BWJNIEYGDXZMPQ-DOMZBBRYSA-N 1 1 344.386 2.996 20 10 EFCDMO CC[C@H]([NH2+][C@@H](CC(C)C)C(=O)NCCOC)c1ccc(F)cc1O ZINC000286325131 288062760 /nfs/dbraw/zinc/06/27/60/288062760.db2.gz YDLBQWJZBDUHNB-HOTGVXAUSA-N 1 1 340.439 2.749 20 10 EFCDMO CN(C)c1ccc(CNCC2([NH+]3CCCCC3)CCOCC2)cc1 ZINC000111403648 473210728 /nfs/dbraw/zinc/21/07/28/473210728.db2.gz YDRRKDIPVCVMAZ-UHFFFAOYSA-N 1 1 331.504 2.877 20 10 EFCDMO C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cc(Cl)ccc1[O-] ZINC000185366701 473406494 /nfs/dbraw/zinc/40/64/94/473406494.db2.gz DLYSTKPBXWYHAG-AWEZNQCLSA-N 1 1 325.884 2.724 20 10 EFCDMO COc1ccc(OC)c([C@@H](O)C[NH2+][C@H](C)c2ccc(F)cc2O)c1 ZINC000184945990 473279788 /nfs/dbraw/zinc/27/97/88/473279788.db2.gz MEUCBMCVQPPUJL-DIFFPNOSSA-N 1 1 335.375 2.933 20 10 EFCDMO C[C@@H]([NH2+]Cc1ccc(N2CCN(C)CC2)nc1)c1cc(F)ccc1O ZINC000184969168 473287657 /nfs/dbraw/zinc/28/76/57/473287657.db2.gz FDGPWYDSMWHFOV-CQSZACIVSA-N 1 1 344.434 2.529 20 10 EFCDMO CCN1CCN(c2ccc(C[NH2+]Cc3ccn(C)c3)cc2F)CC1 ZINC000125202292 473373598 /nfs/dbraw/zinc/37/35/98/473373598.db2.gz JKVOAWFQPDHQIJ-UHFFFAOYSA-N 1 1 330.451 2.596 20 10 EFCDMO Cc1c2ccccc2n(C)c1CNC(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000349606756 475979251 /nfs/dbraw/zinc/97/92/51/475979251.db2.gz BPIGDOKDWJFFDN-GUYCJALGSA-N 1 1 340.471 2.769 20 10 EFCDMO COc1ccc(N2CC[NH+](C[C@@H](O)c3ccccc3F)CC2)cc1 ZINC000075608185 472167143 /nfs/dbraw/zinc/16/71/43/472167143.db2.gz JFRMFHPZXCPPCA-LJQANCHMSA-N 1 1 330.403 2.690 20 10 EFCDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000085400856 472243118 /nfs/dbraw/zinc/24/31/18/472243118.db2.gz WESNORQJALDELC-QAPCUYQASA-N 1 1 344.503 2.551 20 10 EFCDMO Cc1cc(O)c(C[N@H+]2CCC[C@@H]2C(=O)NCc2ccco2)cc1C ZINC000128179134 472414455 /nfs/dbraw/zinc/41/44/55/472414455.db2.gz SLAUGHULBKXEII-QGZVFWFLSA-N 1 1 328.412 2.883 20 10 EFCDMO CN(C)c1ccc(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)cc1F ZINC000057559661 472451340 /nfs/dbraw/zinc/45/13/40/472451340.db2.gz JITSCFWXRGGLNX-GOSISDBHSA-N 1 1 329.419 2.811 20 10 EFCDMO CCCN(CCC)C(=O)C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000071004497 472532381 /nfs/dbraw/zinc/53/23/81/472532381.db2.gz IFLAQQZNLMZTMH-UHFFFAOYSA-N 1 1 347.503 2.604 20 10 EFCDMO Cn1ncc(Cl)c1C[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000130737315 472625324 /nfs/dbraw/zinc/62/53/24/472625324.db2.gz XEQAIKBHIMKDKC-UHFFFAOYSA-N 1 1 348.878 2.572 20 10 EFCDMO CN(C)c1ccc(C[N@H+](C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)cc1F ZINC000130755861 472626386 /nfs/dbraw/zinc/62/63/86/472626386.db2.gz BWHKDWGXVIRKFD-SJORKVTESA-N 1 1 342.480 2.679 20 10 EFCDMO CN(C)c1ccc(C[N@@H+](C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)cc1F ZINC000130755861 472626392 /nfs/dbraw/zinc/62/63/92/472626392.db2.gz BWHKDWGXVIRKFD-SJORKVTESA-N 1 1 342.480 2.679 20 10 EFCDMO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000047106253 472655664 /nfs/dbraw/zinc/65/56/64/472655664.db2.gz XHXHHONGRMLXLH-RTBURBONSA-N 1 1 344.503 2.911 20 10 EFCDMO CN(C)c1ccc(CN(C)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000047106243 472656280 /nfs/dbraw/zinc/65/62/80/472656280.db2.gz CVDJLDQFOJZEOX-ZWKOTPCHSA-N 1 1 330.476 2.521 20 10 EFCDMO CC(C)[C@H](C[NH2+][C@H](C)c1ccc(N(C)C)cc1)N1CCN(C)CC1 ZINC000132371605 472730091 /nfs/dbraw/zinc/73/00/91/472730091.db2.gz JYEZUULOSHHJKG-XLIONFOSSA-N 1 1 332.536 2.675 20 10 EFCDMO O=C(C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1)N1CCCCCC1 ZINC000072952765 472745592 /nfs/dbraw/zinc/74/55/92/472745592.db2.gz YQEAUGYNLXPZMB-SFHVURJKSA-N 1 1 346.471 2.776 20 10 EFCDMO COc1cccc(C[N@@H+]2CCOC[C@H]2C[C@H](O)c2cccs2)c1O ZINC000091921191 472826262 /nfs/dbraw/zinc/82/62/62/472826262.db2.gz MKXCZZLQLZYSDK-CABCVRRESA-N 1 1 349.452 2.787 20 10 EFCDMO COc1cccc(C[N@H+]2CCOC[C@H]2C[C@H](O)c2cccs2)c1O ZINC000091921191 472826268 /nfs/dbraw/zinc/82/62/68/472826268.db2.gz MKXCZZLQLZYSDK-CABCVRRESA-N 1 1 349.452 2.787 20 10 EFCDMO Oc1cc2c(cc1C[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccco1)OCO2 ZINC000091958892 472832121 /nfs/dbraw/zinc/83/21/21/472832121.db2.gz ZLXYXNFARGBQRO-DZGCQCFKSA-N 1 1 331.368 2.802 20 10 EFCDMO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@H]2c2ccc[nH]2)cc1 ZINC000157679735 472846183 /nfs/dbraw/zinc/84/61/83/472846183.db2.gz DVMFJYBPNSHUBF-IBGZPJMESA-N 1 1 340.471 2.876 20 10 EFCDMO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCC[C@H]2c2ccc[nH]2)cc1 ZINC000157679735 472846188 /nfs/dbraw/zinc/84/61/88/472846188.db2.gz DVMFJYBPNSHUBF-IBGZPJMESA-N 1 1 340.471 2.876 20 10 EFCDMO CCOCCO[C@H]1CC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000092067266 472851542 /nfs/dbraw/zinc/85/15/42/472851542.db2.gz KZPYEIZKMTUXPE-AWEZNQCLSA-N 1 1 344.249 2.782 20 10 EFCDMO CCC(=O)N1CCC[N@H+](Cc2cc(Br)ccc2O)CC1 ZINC000092186801 472869770 /nfs/dbraw/zinc/86/97/70/472869770.db2.gz UIKVEKIXPGOLQG-UHFFFAOYSA-N 1 1 341.249 2.599 20 10 EFCDMO CCC(=O)N1CCC[N@@H+](Cc2cc(Br)ccc2O)CC1 ZINC000092186801 472869774 /nfs/dbraw/zinc/86/97/74/472869774.db2.gz UIKVEKIXPGOLQG-UHFFFAOYSA-N 1 1 341.249 2.599 20 10 EFCDMO CCNC(=O)N1CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000121560394 472872891 /nfs/dbraw/zinc/87/28/91/472872891.db2.gz BYYHVLZNQUPDPT-UHFFFAOYSA-N 1 1 330.476 2.524 20 10 EFCDMO CCC[N@@H+](C)C[C@@H]1CCN(c2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000121567807 472873626 /nfs/dbraw/zinc/87/36/26/472873626.db2.gz SCRKKARVROCDMY-ZDUSSCGKSA-N 1 1 337.420 2.780 20 10 EFCDMO CCO[C@H](C)C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000158038851 472885894 /nfs/dbraw/zinc/88/58/94/472885894.db2.gz JLLISBMWBXKGOZ-IUODEOHRSA-N 1 1 340.851 2.551 20 10 EFCDMO Cc1ocnc1C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134267605 472891098 /nfs/dbraw/zinc/89/10/98/472891098.db2.gz UHRZKKOPYYOLSB-AWEZNQCLSA-N 1 1 349.818 2.736 20 10 EFCDMO Cc1ocnc1C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134267605 472891103 /nfs/dbraw/zinc/89/11/03/472891103.db2.gz UHRZKKOPYYOLSB-AWEZNQCLSA-N 1 1 349.818 2.736 20 10 EFCDMO O=C(N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)c1ccccn1 ZINC000158110920 472893174 /nfs/dbraw/zinc/89/31/74/472893174.db2.gz WXHGGRVWTRFXFR-HNNXBMFYSA-N 1 1 345.830 2.835 20 10 EFCDMO Cc1ccc(O)c(CN2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)c1 ZINC000092665912 472957578 /nfs/dbraw/zinc/95/75/78/472957578.db2.gz WNPOQFAFMAJBRF-QZTJIDSGSA-N 1 1 331.504 2.691 20 10 EFCDMO CCN(CC)c1ccc(CNC(=O)NCCCn2cc[nH+]c2C)cc1 ZINC000080054310 472967595 /nfs/dbraw/zinc/96/75/95/472967595.db2.gz YNTZRXZWECLKAL-UHFFFAOYSA-N 1 1 343.475 2.927 20 10 EFCDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@H](CNC(=O)C(C)C)C2)c1 ZINC000092706505 472969336 /nfs/dbraw/zinc/96/93/36/472969336.db2.gz QOJKUGQVYBUJNQ-OAHLLOKOSA-N 1 1 334.460 2.775 20 10 EFCDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@@H](CNC(=O)C(C)C)C2)c1 ZINC000092706506 472969748 /nfs/dbraw/zinc/96/97/48/472969748.db2.gz QOJKUGQVYBUJNQ-HNNXBMFYSA-N 1 1 334.460 2.775 20 10 EFCDMO CCCC[C@@H]([NH2+]C1CCN(c2ccc(OC)cc2)CC1)C(=O)OC ZINC000135199428 473034992 /nfs/dbraw/zinc/03/49/92/473034992.db2.gz YOGUIIMYJNFDSE-GOSISDBHSA-N 1 1 334.460 2.985 20 10 EFCDMO COC(=O)C[C@@H]1C[N@H+](Cc2cc(-c3ccccc3)ccc2O)CCO1 ZINC000093458402 473109533 /nfs/dbraw/zinc/10/95/33/473109533.db2.gz AYWRYGDUOCANJL-GOSISDBHSA-N 1 1 341.407 2.823 20 10 EFCDMO COC(=O)C[C@@H]1C[N@@H+](Cc2cc(-c3ccccc3)ccc2O)CCO1 ZINC000093458402 473109538 /nfs/dbraw/zinc/10/95/38/473109538.db2.gz AYWRYGDUOCANJL-GOSISDBHSA-N 1 1 341.407 2.823 20 10 EFCDMO COc1ccc(N2CCC[N@@H+](CC(=O)N3CCCC[C@@H]3C)CC2)cc1 ZINC000052466191 473110304 /nfs/dbraw/zinc/11/03/04/473110304.db2.gz YLZMNWICSZIGQZ-KRWDZBQOSA-N 1 1 345.487 2.608 20 10 EFCDMO C[N@@H+](CCC(=O)Nc1ccc2c(c1)OCO2)Cc1ccccc1O ZINC000109772403 473119376 /nfs/dbraw/zinc/11/93/76/473119376.db2.gz RAXQFXIKASXLQW-UHFFFAOYSA-N 1 1 328.368 2.582 20 10 EFCDMO CCCOc1ccc(CNC(=O)C[N@@H+](C)Cc2ccccc2O)cc1 ZINC000109769085 473119907 /nfs/dbraw/zinc/11/99/07/473119907.db2.gz LKRMRGZVYVJIFA-UHFFFAOYSA-N 1 1 342.439 2.929 20 10 EFCDMO C[N@H+](Cc1ccccc1O)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000109773368 473121043 /nfs/dbraw/zinc/12/10/43/473121043.db2.gz OZBHIAMSMQXBKD-UHFFFAOYSA-N 1 1 330.340 2.799 20 10 EFCDMO C[N@@H+](Cc1ccccc1O)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000109773368 473121050 /nfs/dbraw/zinc/12/10/50/473121050.db2.gz OZBHIAMSMQXBKD-UHFFFAOYSA-N 1 1 330.340 2.799 20 10 EFCDMO CCOc1cccc(C[NH+]2CCN(c3ncccc3F)CC2)c1O ZINC000093687413 473134560 /nfs/dbraw/zinc/13/45/60/473134560.db2.gz RLBBEGFIWMQZPT-UHFFFAOYSA-N 1 1 331.391 2.647 20 10 EFCDMO CCOc1cccc(C[NH+]2CCN([C@@H](C)C(F)(F)F)CC2)c1O ZINC000093882992 473157240 /nfs/dbraw/zinc/15/72/40/473157240.db2.gz MTBPRXYJXIPFKH-LBPRGKRZSA-N 1 1 332.366 2.859 20 10 EFCDMO C[N@@H+](CCCCN1C(=O)c2ccccc2C1=O)Cc1ccccc1O ZINC000111236270 473197896 /nfs/dbraw/zinc/19/78/96/473197896.db2.gz JQNZLBDOAUMNCN-UHFFFAOYSA-N 1 1 338.407 2.900 20 10 EFCDMO CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])CC1 ZINC000185344922 473400779 /nfs/dbraw/zinc/40/07/79/473400779.db2.gz CZLMUFGOVUOHET-GJZGRUSLSA-N 1 1 339.911 2.970 20 10 EFCDMO C[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1cc(Cl)ccc1[O-] ZINC000185366701 473406489 /nfs/dbraw/zinc/40/64/89/473406489.db2.gz DLYSTKPBXWYHAG-AWEZNQCLSA-N 1 1 325.884 2.724 20 10 EFCDMO C[C@@H]([NH2+]C[C@H](C)N1CCN(C)CC1)c1cc2c(cc1O)CCCC2 ZINC000185365615 473407585 /nfs/dbraw/zinc/40/75/85/473407585.db2.gz ZRRYAPXZALVFHK-JKSUJKDBSA-N 1 1 331.504 2.558 20 10 EFCDMO C[C@@H]([NH2+][C@@H](C)CN1CCN(C)CC1)c1ccc2ccccc2c1O ZINC000185392468 473414367 /nfs/dbraw/zinc/41/43/67/473414367.db2.gz MXVLQJVZBSXBOG-JKSUJKDBSA-N 1 1 327.472 2.832 20 10 EFCDMO C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1cc(Cl)ccc1[O-] ZINC000185647746 473477268 /nfs/dbraw/zinc/47/72/68/473477268.db2.gz RFORYVMKJAPLCG-CYBMUJFWSA-N 1 1 325.884 2.722 20 10 EFCDMO CCO[C@@H]1C[C@H](O)C12CC[NH+](Cc1c(O)ccc(Cl)c1F)CC2 ZINC000191394941 473534524 /nfs/dbraw/zinc/53/45/24/473534524.db2.gz KAMMYISJZUBXGG-LSDHHAIUSA-N 1 1 343.826 2.937 20 10 EFCDMO CCOCCOCC[N@@H+](C)Cc1cc(Br)cc(C)c1O ZINC000191570641 473556656 /nfs/dbraw/zinc/55/66/56/473556656.db2.gz YJKIEXWGYKUNOR-UHFFFAOYSA-N 1 1 346.265 2.948 20 10 EFCDMO CC(C)(C)OCc1cc(C[NH2+]Cc2cc3c(cc2O)OCO3)no1 ZINC000186416402 473671312 /nfs/dbraw/zinc/67/13/12/473671312.db2.gz TWYOWWXMSKKOKG-UHFFFAOYSA-N 1 1 334.372 2.714 20 10 EFCDMO CCCC[N@@H+](Cc1cccc(OCC)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000179612778 473698456 /nfs/dbraw/zinc/69/84/56/473698456.db2.gz XKMLTSZXLOAAPH-OAHLLOKOSA-N 1 1 341.473 2.580 20 10 EFCDMO COc1ccc(O)c(C[N@@H+](C)Cc2ccccc2N2CCOCC2)c1 ZINC000179616435 473698484 /nfs/dbraw/zinc/69/84/84/473698484.db2.gz HCJMPGYOCMUUIR-UHFFFAOYSA-N 1 1 342.439 2.869 20 10 EFCDMO COc1ccc(OC)c2c1C[N@@H+](Cc1cccc(C)c1O)C[C@H]2O ZINC000179613939 473698660 /nfs/dbraw/zinc/69/86/60/473698660.db2.gz QSKXNNGESDFMSC-OAHLLOKOSA-N 1 1 329.396 2.767 20 10 EFCDMO COc1ccc(O)c(C[N@H+]2CCCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000179672710 473707307 /nfs/dbraw/zinc/70/73/07/473707307.db2.gz JKKUIBPTARHFSX-UHFFFAOYSA-N 1 1 336.432 2.844 20 10 EFCDMO COc1ccc(O)c(C[N@H+]2CCC[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000179704440 473710381 /nfs/dbraw/zinc/71/03/81/473710381.db2.gz HVKBSCUUTNOHNX-AWEZNQCLSA-N 1 1 336.432 2.890 20 10 EFCDMO COc1ccc(O)c(C[N@H+]2CCCN(C(=O)c3ccccc3)CC2)c1 ZINC000179725367 473714216 /nfs/dbraw/zinc/71/42/16/473714216.db2.gz IWGFBZRBOLLDBS-UHFFFAOYSA-N 1 1 340.423 2.749 20 10 EFCDMO Cc1cccc(C[NH+]2CCN(C(=O)c3c(F)cccc3F)CC2)c1O ZINC000179885477 473748351 /nfs/dbraw/zinc/74/83/51/473748351.db2.gz LNJWXGZSNBLLCL-UHFFFAOYSA-N 1 1 346.377 2.937 20 10 EFCDMO Cc1cccc(CN2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)c1O ZINC000179909582 473752577 /nfs/dbraw/zinc/75/25/77/473752577.db2.gz VWWQWTHQDYXKNR-ROUUACIJSA-N 1 1 331.504 2.691 20 10 EFCDMO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2cc(C(=O)OC)ccc2O)[C@]12CCCO2 ZINC000274204470 473760550 /nfs/dbraw/zinc/76/05/50/473760550.db2.gz LZMPIPUMZPQFEU-UMBPUVEWSA-N 1 1 349.427 2.556 20 10 EFCDMO Cc1ccc(O)c(C[NH+]2CCN(C(=O)c3cccc(F)c3)CC2)c1 ZINC000179998255 473774375 /nfs/dbraw/zinc/77/43/75/473774375.db2.gz KTXOZWOOGGNCIE-UHFFFAOYSA-N 1 1 328.387 2.798 20 10 EFCDMO O=C(c1cccc(O)c1O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000186990612 473797638 /nfs/dbraw/zinc/79/76/38/473797638.db2.gz ISBKDONGCLMEMB-UHFFFAOYSA-N 1 1 332.444 2.826 20 10 EFCDMO COC(=O)CC1(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)CC1 ZINC000281710732 473813075 /nfs/dbraw/zinc/81/30/75/473813075.db2.gz UNRJCTBLVQPAGT-MRXNPFEDSA-N 1 1 333.428 2.717 20 10 EFCDMO COC(=O)CC1(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)CC1 ZINC000281710731 473813960 /nfs/dbraw/zinc/81/39/60/473813960.db2.gz UNRJCTBLVQPAGT-INIZCTEOSA-N 1 1 333.428 2.717 20 10 EFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)c1 ZINC000274449007 473827816 /nfs/dbraw/zinc/82/78/16/473827816.db2.gz YKPNCVUTFLAHOS-XYZKALLWSA-N 1 1 331.412 2.787 20 10 EFCDMO Oc1ccc(F)cc1C[N@H+]1CCOC[C@@H]1C[C@H](O)c1ccccc1 ZINC000180278746 473846459 /nfs/dbraw/zinc/84/64/59/473846459.db2.gz NPVNMGSXHHKXLE-HKUYNNGSSA-N 1 1 331.387 2.856 20 10 EFCDMO Oc1ccc(F)cc1C[N@@H+]1CCOC[C@@H]1C[C@H](O)c1ccccc1 ZINC000180278746 473846461 /nfs/dbraw/zinc/84/64/61/473846461.db2.gz NPVNMGSXHHKXLE-HKUYNNGSSA-N 1 1 331.387 2.856 20 10 EFCDMO Cc1cc([C@@H](C)[NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)nn1C ZINC000282078561 473938756 /nfs/dbraw/zinc/93/87/56/473938756.db2.gz HLFIYYFVZVEGFF-MRXNPFEDSA-N 1 1 342.487 2.788 20 10 EFCDMO COCCn1c(C)c(C)c2cc(C(=O)NCC[N@@H+](C)C3CC3)ccc21 ZINC000264229420 473957169 /nfs/dbraw/zinc/95/71/69/473957169.db2.gz XOXGZPZWLLZFLM-UHFFFAOYSA-N 1 1 343.471 2.729 20 10 EFCDMO CCCCC[N@@H+](CC(N)=O)Cc1cc(Br)ccc1O ZINC000180802760 473969456 /nfs/dbraw/zinc/96/94/56/473969456.db2.gz VRBGOIQWUBVOMI-UHFFFAOYSA-N 1 1 329.238 2.632 20 10 EFCDMO Cc1[nH+]ccn1-c1ncccc1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180943508 473991447 /nfs/dbraw/zinc/99/14/47/473991447.db2.gz VNUQDUDUFKFEHY-FNORWQNLSA-N 1 1 336.351 2.639 20 10 EFCDMO Cc1cc([C@H](C)[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)nn1C ZINC000282289127 474011058 /nfs/dbraw/zinc/01/10/58/474011058.db2.gz SALOAHXNZNCPQZ-AWEZNQCLSA-N 1 1 346.450 2.680 20 10 EFCDMO CC(=O)NCC[N@@H+](Cc1ccsc1)Cc1ccc(N(C)C)cc1 ZINC000282345065 474031576 /nfs/dbraw/zinc/03/15/76/474031576.db2.gz ABTPKADICUVUTL-UHFFFAOYSA-N 1 1 331.485 2.952 20 10 EFCDMO COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)C[NH+](C)C)cc1 ZINC000188375710 474075504 /nfs/dbraw/zinc/07/55/04/474075504.db2.gz VEAFJDIVCDIZJZ-UHFFFAOYSA-N 1 1 341.455 2.856 20 10 EFCDMO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCC[N@@H+](C)C1CC1 ZINC000264797218 474129682 /nfs/dbraw/zinc/12/96/82/474129682.db2.gz DOAIXHZJDXLSFH-UHFFFAOYSA-N 1 1 344.503 2.913 20 10 EFCDMO CN(C)c1ccc(C[N@@H+](CC2CCS(=O)(=O)CC2)C2CC2)cc1 ZINC000270549774 474165991 /nfs/dbraw/zinc/16/59/91/474165991.db2.gz YRIJJNBMYPLLCE-UHFFFAOYSA-N 1 1 336.501 2.542 20 10 EFCDMO CC[N@@H+](CCOCCO)Cc1ccc(OCc2ccccc2)cc1O ZINC000282752236 474180288 /nfs/dbraw/zinc/18/02/88/474180288.db2.gz ODVTUXHDIZQGNL-UHFFFAOYSA-N 1 1 345.439 2.802 20 10 EFCDMO CC[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)c1nccn1C ZINC000182571763 474208685 /nfs/dbraw/zinc/20/86/85/474208685.db2.gz YXRGQYGFFVMWIL-KRWDZBQOSA-N 1 1 346.450 2.761 20 10 EFCDMO C[NH+]1CCC(C)(C[NH2+]Cc2cc(Br)ccc2[O-])CC1 ZINC000227329770 474245630 /nfs/dbraw/zinc/24/56/30/474245630.db2.gz FZVOEXHRMQPUMO-UHFFFAOYSA-N 1 1 327.266 2.976 20 10 EFCDMO CC1(C)CN(C(=O)Cc2ccc(N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000236635753 474275810 /nfs/dbraw/zinc/27/58/10/474275810.db2.gz IXKGAWREEAUEHF-UHFFFAOYSA-N 1 1 337.467 2.934 20 10 EFCDMO NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000182930736 474289794 /nfs/dbraw/zinc/28/97/94/474289794.db2.gz LENQWDMCVCYPGE-KRWDZBQOSA-N 1 1 340.423 2.669 20 10 EFCDMO Oc1cc2c(cc1C[N@@H+]1CCO[C@H](Cc3ccccc3)C1)OCO2 ZINC000182955221 474295970 /nfs/dbraw/zinc/29/59/70/474295970.db2.gz YENKRKQSYGPFRT-MRXNPFEDSA-N 1 1 327.380 2.564 20 10 EFCDMO Oc1cc2c(cc1C[N@H+]1CCO[C@H](Cc3ccccc3)C1)OCO2 ZINC000182955221 474295972 /nfs/dbraw/zinc/29/59/72/474295972.db2.gz YENKRKQSYGPFRT-MRXNPFEDSA-N 1 1 327.380 2.564 20 10 EFCDMO CCC[N@@H+](CC(=O)NC)Cc1ccc(OCc2ccccc2)cc1O ZINC000183013895 474306259 /nfs/dbraw/zinc/30/62/59/474306259.db2.gz IXOLTDUOZJHKKY-UHFFFAOYSA-N 1 1 342.439 2.929 20 10 EFCDMO CNC(=O)[C@H](C)C[N@@H+](C)Cc1ccc(OCc2ccccc2)cc1O ZINC000183120073 474332834 /nfs/dbraw/zinc/33/28/34/474332834.db2.gz OOMSBHLGBQRZQG-OAHLLOKOSA-N 1 1 342.439 2.785 20 10 EFCDMO C[C@@H]1C[C@@H](N2CCOCC2)C[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000289591417 474337118 /nfs/dbraw/zinc/33/71/18/474337118.db2.gz KLSSOHRVOAKAAG-WIYYLYMNSA-N 1 1 343.515 2.972 20 10 EFCDMO C[C@@H](c1ccccc1)[N@@H+](CCN1CCNC1=O)Cc1ccccc1O ZINC000289657529 474364694 /nfs/dbraw/zinc/36/46/94/474364694.db2.gz CRUUBXGPASOICJ-INIZCTEOSA-N 1 1 339.439 2.981 20 10 EFCDMO COc1ccc(OCC[N@@H+](C)Cc2cc(OC)c(OC)cc2O)cc1 ZINC000271122283 474402276 /nfs/dbraw/zinc/40/22/76/474402276.db2.gz YINHPWHXEZWVDZ-UHFFFAOYSA-N 1 1 347.411 2.929 20 10 EFCDMO COCC[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cccc(OC)c1O ZINC000271215147 474445129 /nfs/dbraw/zinc/44/51/29/474445129.db2.gz ZTZIAAJXWDKKCD-UHFFFAOYSA-N 1 1 345.395 2.778 20 10 EFCDMO C[N@H+](Cc1ccc(N2CCCCC2)cc1)C[C@@H]1CCS(=O)(=O)C1 ZINC000271216483 474445151 /nfs/dbraw/zinc/44/51/51/474445151.db2.gz XAHXMTRHLBUMTE-KRWDZBQOSA-N 1 1 336.501 2.543 20 10 EFCDMO CCN(CC)c1ccc(CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)cc1 ZINC000289880952 474468388 /nfs/dbraw/zinc/46/83/88/474468388.db2.gz PSWYOMGQMPENTR-QGZVFWFLSA-N 1 1 340.471 2.917 20 10 EFCDMO COCCOCCOCC[N@@H+](C)Cc1c(O)ccc2ccccc21 ZINC000276328436 474498127 /nfs/dbraw/zinc/49/81/27/474498127.db2.gz GMQIRSWCIKRNRT-UHFFFAOYSA-N 1 1 333.428 2.657 20 10 EFCDMO CCCOc1ccc(C[N@H+]2CCC[C@@H](c3nnc(C)[nH]3)C2)c(O)c1 ZINC000271340581 474500457 /nfs/dbraw/zinc/50/04/57/474500457.db2.gz OGOYSOFOXFTUPZ-OAHLLOKOSA-N 1 1 330.432 2.987 20 10 EFCDMO CCCOc1ccc(C[N@@H+]2CCC[C@@H](c3nc(C)n[nH]3)C2)c(O)c1 ZINC000271340581 474500462 /nfs/dbraw/zinc/50/04/62/474500462.db2.gz OGOYSOFOXFTUPZ-OAHLLOKOSA-N 1 1 330.432 2.987 20 10 EFCDMO CCCOc1ccc(C[N@H+]2CCC[C@@H](c3nc(C)n[nH]3)C2)c(O)c1 ZINC000271340581 474500467 /nfs/dbraw/zinc/50/04/67/474500467.db2.gz OGOYSOFOXFTUPZ-OAHLLOKOSA-N 1 1 330.432 2.987 20 10 EFCDMO CCCOc1ccc(C[N@@H+]2CCC[C@@H](c3n[nH]c(C)n3)C2)c(O)c1 ZINC000271340581 474500471 /nfs/dbraw/zinc/50/04/71/474500471.db2.gz OGOYSOFOXFTUPZ-OAHLLOKOSA-N 1 1 330.432 2.987 20 10 EFCDMO CCCOc1ccc(C[N@H+]2CCC[C@@H](c3n[nH]c(C)n3)C2)c(O)c1 ZINC000271340581 474500473 /nfs/dbraw/zinc/50/04/73/474500473.db2.gz OGOYSOFOXFTUPZ-OAHLLOKOSA-N 1 1 330.432 2.987 20 10 EFCDMO CC[C@@H]([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)c1nc(C)cs1 ZINC000184394834 474509683 /nfs/dbraw/zinc/50/96/83/474509683.db2.gz SBSNCAXTLFSLEW-MRXNPFEDSA-N 1 1 346.500 2.875 20 10 EFCDMO C[N@@H+](CCn1cc(Br)cn1)Cc1cc(F)ccc1O ZINC000290223845 474561674 /nfs/dbraw/zinc/56/16/74/474561674.db2.gz SBJQTWKFXPTHMX-UHFFFAOYSA-N 1 1 328.185 2.622 20 10 EFCDMO COc1cncc(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC000290258099 474563966 /nfs/dbraw/zinc/56/39/66/474563966.db2.gz KKCISYBXRRUKEV-UHFFFAOYSA-N 1 1 327.428 2.559 20 10 EFCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@H](C(=O)N3CCCC3)C2)cc1 ZINC000290290702 474565356 /nfs/dbraw/zinc/56/53/56/474565356.db2.gz ALAPXSXUKGMXCK-SFHVURJKSA-N 1 1 329.488 2.977 20 10 EFCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@@H](C(=O)N3CCCC3)C2)cc1 ZINC000290290699 474565656 /nfs/dbraw/zinc/56/56/56/474565656.db2.gz ALAPXSXUKGMXCK-GOSISDBHSA-N 1 1 329.488 2.977 20 10 EFCDMO Oc1ccccc1C[N@H+](Cc1c[nH]c2nccnc12)C[C@@H]1CCCO1 ZINC000290321614 474566865 /nfs/dbraw/zinc/56/68/65/474566865.db2.gz BSOZCUWNHASPNQ-INIZCTEOSA-N 1 1 338.411 2.845 20 10 EFCDMO CC[C@@H](C)c1nnc([C@H](C)[NH2+]Cc2cc(OC)c(OC)cc2O)[nH]1 ZINC000276829225 474571938 /nfs/dbraw/zinc/57/19/38/474571938.db2.gz BIIZNMFGFPTLDL-MNOVXSKESA-N 1 1 334.420 2.892 20 10 EFCDMO CN(C)c1ccc(CN(C)C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)cc1 ZINC000277279609 474580859 /nfs/dbraw/zinc/58/08/59/474580859.db2.gz ANEYIJXGLWGJBX-LJQANCHMSA-N 1 1 344.503 2.911 20 10 EFCDMO CCc1nnc([C@@H](C)[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)[nH]1 ZINC000271532836 474581059 /nfs/dbraw/zinc/58/10/59/474581059.db2.gz PVPGXSLSQZCJKG-ZIAGYGMSSA-N 1 1 329.448 2.616 20 10 EFCDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@H](C3OCCO3)C2)c1O ZINC000184687338 474585027 /nfs/dbraw/zinc/58/50/27/474585027.db2.gz CUHZJVHALCTFOK-NSHDSACASA-N 1 1 327.808 2.639 20 10 EFCDMO CS(=O)(=O)[C@@H]1CCCC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000277479955 474587369 /nfs/dbraw/zinc/58/73/69/474587369.db2.gz BLMRPLDYHCFZSI-OAHLLOKOSA-N 1 1 333.453 2.945 20 10 EFCDMO COc1cc(O)c(C[N@H+]2CCN(C)c3ccccc3C2)cc1OC ZINC000271747833 474588426 /nfs/dbraw/zinc/58/84/26/474588426.db2.gz UEZHIFTUUPFDRV-UHFFFAOYSA-N 1 1 328.412 2.861 20 10 EFCDMO COc1cc(O)c(C[N@@H+](C)[C@H](CCO)c2ccccc2)cc1OC ZINC000271795277 474592520 /nfs/dbraw/zinc/59/25/20/474592520.db2.gz JVSYUZCODNFOIE-MRXNPFEDSA-N 1 1 331.412 2.965 20 10 EFCDMO COc1c(O)c(C[NH2+][C@@](C)(CO)C2CCCCC2)ccc1[N+](=O)[O-] ZINC000278110377 474601599 /nfs/dbraw/zinc/60/15/99/474601599.db2.gz BHMQBAQPTNQKGM-KRWDZBQOSA-N 1 1 338.404 2.730 20 10 EFCDMO COc1c(O)c(C[N@H+](CCCO)CC(C)(C)C)ccc1[N+](=O)[O-] ZINC000278277018 474604622 /nfs/dbraw/zinc/60/46/22/474604622.db2.gz SIQMCUHVWZCSSD-UHFFFAOYSA-N 1 1 326.393 2.540 20 10 EFCDMO COc1c(O)c(C[N@@H+](CCCO)CC(C)(C)C)ccc1[N+](=O)[O-] ZINC000278277018 474604626 /nfs/dbraw/zinc/60/46/26/474604626.db2.gz SIQMCUHVWZCSSD-UHFFFAOYSA-N 1 1 326.393 2.540 20 10 EFCDMO COc1c(O)c(C[NH2+][C@@H]2CCO[C@@H](CC(C)C)C2)ccc1[N+](=O)[O-] ZINC000278304569 474606595 /nfs/dbraw/zinc/60/65/95/474606595.db2.gz DHPXTGGBDALCJB-KGLIPLIRSA-N 1 1 338.404 2.992 20 10 EFCDMO CCOc1cccc(C[N@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)c1O ZINC000278340341 474614637 /nfs/dbraw/zinc/61/46/37/474614637.db2.gz HQRGDDUSOIXZKA-DOMZBBRYSA-N 1 1 333.350 2.926 20 10 EFCDMO COc1cccc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)c1O ZINC000278420691 474639778 /nfs/dbraw/zinc/63/97/78/474639778.db2.gz RNMHHVPRUVFLDJ-TZMCWYRMSA-N 1 1 336.432 2.746 20 10 EFCDMO COc1c(O)c(C[NH2+]CC[C@@](C)(O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000278433175 474642641 /nfs/dbraw/zinc/64/26/41/474642641.db2.gz UJFVIGGSFJCBKD-GOSISDBHSA-N 1 1 346.383 2.696 20 10 EFCDMO COc1c(O)c(C[NH2+]C[C@@H](CCO)c2ccccc2)ccc1[N+](=O)[O-] ZINC000278464676 474651800 /nfs/dbraw/zinc/65/18/00/474651800.db2.gz FUTAQQJGYGBCCC-CQSZACIVSA-N 1 1 346.383 2.565 20 10 EFCDMO COC(=O)[C@]12C[N@@H+](Cc3cc(OC)c(OC)cc3O)C[C@H]1CCCC2 ZINC000284504933 474653505 /nfs/dbraw/zinc/65/35/05/474653505.db2.gz TUZUFAAVNOQDHE-AUUYWEPGSA-N 1 1 349.427 2.575 20 10 EFCDMO COc1c(O)c(C[NH2+]C[C@@H](C)c2ncc(C)s2)ccc1[N+](=O)[O-] ZINC000278474393 474654288 /nfs/dbraw/zinc/65/42/88/474654288.db2.gz IFOQMLINQGEBBG-SECBINFHSA-N 1 1 337.401 2.967 20 10 EFCDMO O=C(NCc1ccccc1O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000267362879 474659564 /nfs/dbraw/zinc/65/95/64/474659564.db2.gz AIAHAVKHDCPPPD-KRWDZBQOSA-N 1 1 328.387 2.812 20 10 EFCDMO O=C(NCc1ccccc1O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000267362879 474659569 /nfs/dbraw/zinc/65/95/69/474659569.db2.gz AIAHAVKHDCPPPD-KRWDZBQOSA-N 1 1 328.387 2.812 20 10 EFCDMO COC(=O)C[N@H+](CCCCCCO)Cc1cc(Cl)ccc1O ZINC000267474888 474671302 /nfs/dbraw/zinc/67/13/02/474671302.db2.gz FBBCLFZJLDBDJQ-UHFFFAOYSA-N 1 1 329.824 2.573 20 10 EFCDMO COC(=O)C[N@@H+](CCCCCCO)Cc1cc(Cl)ccc1O ZINC000267474888 474671308 /nfs/dbraw/zinc/67/13/08/474671308.db2.gz FBBCLFZJLDBDJQ-UHFFFAOYSA-N 1 1 329.824 2.573 20 10 EFCDMO CCN1CCN(c2ccc(C[NH2+]C[C@@H]3CCSC3)cc2F)CC1 ZINC000278531795 474686535 /nfs/dbraw/zinc/68/65/35/474686535.db2.gz RTZRLCIYOYKGRX-INIZCTEOSA-N 1 1 337.508 2.810 20 10 EFCDMO COc1c(O)c(C[NH2+]C[C@H](C)N2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000278558265 474700525 /nfs/dbraw/zinc/70/05/25/474700525.db2.gz BAJSXUQYCXUOIC-OLZOCXBDSA-N 1 1 337.420 2.519 20 10 EFCDMO CCn1cc(CC[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)cn1 ZINC000278578754 474716807 /nfs/dbraw/zinc/71/68/07/474716807.db2.gz JXTXSFICGDDUBR-SFHVURJKSA-N 1 1 329.444 2.832 20 10 EFCDMO C[C@H]([NH2+]C[C@@H]1CN(C)CCN1C)c1cc(Cl)c(Cl)cc1O ZINC000278644138 474752959 /nfs/dbraw/zinc/75/29/59/474752959.db2.gz HSRSZGGSFNISMY-WDEREUQCSA-N 1 1 332.275 2.595 20 10 EFCDMO CCCOc1ccc(C[N@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C(C)C)c(O)c1 ZINC000284779529 474767187 /nfs/dbraw/zinc/76/71/87/474767187.db2.gz XZHQXZJBRVEHNM-SJORKVTESA-N 1 1 347.459 2.558 20 10 EFCDMO COc1cccc(C[N@H+]2CCC[C@H](Oc3ncccc3F)C2)c1O ZINC000278699217 474782777 /nfs/dbraw/zinc/78/27/77/474782777.db2.gz PDDBQUNMOMXERF-AWEZNQCLSA-N 1 1 332.375 2.978 20 10 EFCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCc2cn3ccccc3n2)c1 ZINC000273373723 474867064 /nfs/dbraw/zinc/86/70/64/474867064.db2.gz GUDWUFCTVRLYAB-CYBMUJFWSA-N 1 1 339.395 2.720 20 10 EFCDMO CCNC(=O)C[C@H]1CCCC[N@H+]1Cc1cc(Cl)cc(OC)c1O ZINC000285065213 474879982 /nfs/dbraw/zinc/87/99/82/474879982.db2.gz LTFGWSRCAHYBCB-CQSZACIVSA-N 1 1 340.851 2.935 20 10 EFCDMO C[C@H]([NH2+][C@H]1CCCN(Cc2ccccn2)C1=O)c1ccc(F)cc1O ZINC000273465745 474912506 /nfs/dbraw/zinc/91/25/06/474912506.db2.gz RCPIQUMVMCNDPV-GUYCJALGSA-N 1 1 343.402 2.768 20 10 EFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@](C)(O)c2ccsc2)c1 ZINC000273469188 474914523 /nfs/dbraw/zinc/91/45/23/474914523.db2.gz FISGGTBITGMOFG-GTNSWQLSSA-N 1 1 335.425 2.799 20 10 EFCDMO C[C@H]1C[C@H](N2CCOCC2)C[N@H+]1Cc1c(O)ccc2ccccc21 ZINC000285266949 474951060 /nfs/dbraw/zinc/95/10/60/474951060.db2.gz YILPVDFBBRBPBO-RDJZCZTQSA-N 1 1 326.440 2.840 20 10 EFCDMO C[C@H]1CCSCC[N@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000279247227 474966749 /nfs/dbraw/zinc/96/67/49/474966749.db2.gz KVEOFTVEOVNUDT-HNNXBMFYSA-N 1 1 335.517 2.538 20 10 EFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@H](CCO)c2ccccc2)c1 ZINC000273566831 474966890 /nfs/dbraw/zinc/96/68/90/474966890.db2.gz JSYMHXAOQLOTDQ-YOEHRIQHSA-N 1 1 343.423 2.996 20 10 EFCDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cccc(O)c1O ZINC000279425093 474974623 /nfs/dbraw/zinc/97/46/23/474974623.db2.gz YQYMDIZTGFTUNE-PBHICJAKSA-N 1 1 340.423 2.738 20 10 EFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)c2cccc(OC)c2)c1 ZINC000273586014 474977955 /nfs/dbraw/zinc/97/79/55/474977955.db2.gz NTDLLBZYBUGEDF-KPZWWZAWSA-N 1 1 345.395 2.572 20 10 EFCDMO CN(C)C(=O)[C@H]1CCC[N@@H+]1Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000279513953 474978420 /nfs/dbraw/zinc/97/84/20/474978420.db2.gz APWJRAIPUDJSTJ-OAHLLOKOSA-N 1 1 343.393 2.824 20 10 EFCDMO CN(C)C(=O)[C@H]1CCC[N@H+]1Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000279513953 474978429 /nfs/dbraw/zinc/97/84/29/474978429.db2.gz APWJRAIPUDJSTJ-OAHLLOKOSA-N 1 1 343.393 2.824 20 10 EFCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CSCCS2)c1 ZINC000273591913 474978611 /nfs/dbraw/zinc/97/86/11/474978611.db2.gz PMBYZADBPPHRMF-PWSUYJOCSA-N 1 1 327.471 2.678 20 10 EFCDMO C[C@H](C[S@@](C)=O)[N@@H+](C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000279556679 474980241 /nfs/dbraw/zinc/98/02/41/474980241.db2.gz AZRMLBKHSYYUEL-RKFFSXRUSA-N 1 1 336.423 2.970 20 10 EFCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@@](C)(O)c2ccccc2)c1 ZINC000273606739 474987242 /nfs/dbraw/zinc/98/72/42/474987242.db2.gz UJHUIWPQHJKGON-BFUOFWGJSA-N 1 1 329.396 2.737 20 10 EFCDMO C[C@@H]([NH2+]CCn1cc(Br)cn1)c1ccc(F)cc1O ZINC000285550264 475029720 /nfs/dbraw/zinc/02/97/20/475029720.db2.gz DZTSHRVBSQHBSH-SECBINFHSA-N 1 1 328.185 2.841 20 10 EFCDMO Cc1nsc(N2CC[NH+](Cc3ccc(N(C)C)c(C)c3)CC2)n1 ZINC000293776021 475051822 /nfs/dbraw/zinc/05/18/22/475051822.db2.gz LKROZBNXHRGRKN-UHFFFAOYSA-N 1 1 331.489 2.543 20 10 EFCDMO CC[C@H]([NH2+]CC(=O)NCc1ccc(OC)cc1)c1ccc(F)cc1O ZINC000286114419 475052282 /nfs/dbraw/zinc/05/22/82/475052282.db2.gz NVBBAIYLHWGNOS-KRWDZBQOSA-N 1 1 346.402 2.897 20 10 EFCDMO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000268887323 475052663 /nfs/dbraw/zinc/05/26/63/475052663.db2.gz ZCMWSWIDAOITMO-LZJOCLMNSA-N 1 1 345.531 2.714 20 10 EFCDMO CC[C@@H]([NH2+][C@@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc(F)cc1O ZINC000286316296 475059834 /nfs/dbraw/zinc/05/98/34/475059834.db2.gz XRQQYJPZYOEYDT-HUUCEWRRSA-N 1 1 346.406 2.501 20 10 EFCDMO CC[C@H]([NH2+][C@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc(F)cc1O ZINC000286316295 475060025 /nfs/dbraw/zinc/06/00/25/475060025.db2.gz XRQQYJPZYOEYDT-GJZGRUSLSA-N 1 1 346.406 2.501 20 10 EFCDMO Cc1cc(Br)cc(C[NH2+]Cc2nnc(C3CC3)[nH]2)c1O ZINC000294757733 475082153 /nfs/dbraw/zinc/08/21/53/475082153.db2.gz ITUNDKNZOSMYBP-UHFFFAOYSA-N 1 1 337.221 2.748 20 10 EFCDMO COCC[N@@H+](CCO)Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000294849753 475087372 /nfs/dbraw/zinc/08/73/72/475087372.db2.gz OSNFZVDNQCPXJX-UHFFFAOYSA-N 1 1 334.485 2.825 20 10 EFCDMO COC1CCN(c2ccc(C[N@@H+](C)C[C@H]3CCC[C@@H]3O)cc2)CC1 ZINC000295028529 475099003 /nfs/dbraw/zinc/09/90/03/475099003.db2.gz VJSRWTWGHQJJCC-XLIONFOSSA-N 1 1 332.488 2.895 20 10 EFCDMO C[C@@H]1C[C@H](NC(=O)c2c(F)ccc(O)c2O)C[N@H+]1Cc1ccccc1 ZINC000295164210 475109768 /nfs/dbraw/zinc/10/97/68/475109768.db2.gz QWKIQPUWHNRRSW-OCCSQVGLSA-N 1 1 344.386 2.630 20 10 EFCDMO CCN1CCN(c2ccc(C[NH2+][C@@H]3C[C@H](C)O[C@H]3C)cc2F)CC1 ZINC000295270903 475118105 /nfs/dbraw/zinc/11/81/05/475118105.db2.gz VPRUCSUTAPJSDU-RLFYNMQTSA-N 1 1 335.467 2.623 20 10 EFCDMO C[C@@H]([NH2+]CCCN1C(=O)c2ccccc2C1=O)c1ccc(F)cc1O ZINC000287392209 475127374 /nfs/dbraw/zinc/12/73/74/475127374.db2.gz ISVSDUQHMWEPHT-GFCCVEGCSA-N 1 1 342.370 2.868 20 10 EFCDMO COc1ccc(O)c(C[N@H+]2CC[C@H](C(=O)N(C)c3ccccc3)C2)c1 ZINC000281282953 475150655 /nfs/dbraw/zinc/15/06/55/475150655.db2.gz ZJEJFYWXTWTJHV-HNNXBMFYSA-N 1 1 340.423 2.886 20 10 EFCDMO C[C@@H]1[C@H](NC(=O)NCc2ccccc2O)CC[N@H+]1Cc1ccccc1 ZINC000287452653 475153313 /nfs/dbraw/zinc/15/33/13/475153313.db2.gz IEAOOZRQTUZKCW-CRAIPNDOSA-N 1 1 339.439 2.854 20 10 EFCDMO CC[C@@H]([NH2+]CC1(OCCOC)CCOCC1)c1ccc(F)cc1O ZINC000296654690 475413575 /nfs/dbraw/zinc/41/35/75/475413575.db2.gz ZEDIVTCAOYIXEH-MRXNPFEDSA-N 1 1 341.423 2.784 20 10 EFCDMO CC[N@H+]1CCC[C@@H]1CNC(=O)NCc1c(C)c2ccccc2n1C ZINC000349461837 475974046 /nfs/dbraw/zinc/97/40/46/475974046.db2.gz OQHADHJRFPWPCQ-OAHLLOKOSA-N 1 1 328.460 2.770 20 10 EFCDMO Cc1c2ccccc2n(C)c1CNC(=O)N(C)C[C@H]1CC[N@@H+](C)C1 ZINC000350057988 476039785 /nfs/dbraw/zinc/03/97/85/476039785.db2.gz BWXCCIDFYPKUMI-HNNXBMFYSA-N 1 1 328.460 2.580 20 10 EFCDMO O=C(NCc1ccc(N2CCCC2)cc1)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000369581631 476428008 /nfs/dbraw/zinc/42/80/08/476428008.db2.gz FJEQQUVLNJDOAN-LJQANCHMSA-N 1 1 342.487 2.667 20 10 EFCDMO Cc1cc(C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c(C)n1-c1ccccn1 ZINC000373929780 476442146 /nfs/dbraw/zinc/44/21/46/476442146.db2.gz RYAWIQXISFLZJB-DLBZAZTESA-N 1 1 338.455 2.846 20 10 EFCDMO Cc1cc(O)c(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)cc1C ZINC000374257941 476464695 /nfs/dbraw/zinc/46/46/95/476464695.db2.gz SOSXMBSKXXGZSV-PKOBYXMFSA-N 1 1 329.444 2.831 20 10 EFCDMO CCCN(Cc1ccccc1O)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000377622805 476482146 /nfs/dbraw/zinc/48/21/46/476482146.db2.gz IIQTYMYIYCWHCP-DLBZAZTESA-N 1 1 331.460 2.941 20 10 EFCDMO COC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000377681901 476517527 /nfs/dbraw/zinc/51/75/27/476517527.db2.gz XJKJBTUHMLLXMC-ZDUSSCGKSA-N 1 1 337.725 2.973 20 10 EFCDMO Nc1ccc(CC(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000370763437 476973157 /nfs/dbraw/zinc/97/31/57/476973157.db2.gz KTUCPMDOPUGHNQ-IBGZPJMESA-N 1 1 337.467 2.840 20 10 EFCDMO COc1c(O)c(C[NH2+]C[C@]2(C)CCO[C@@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000375734904 476977445 /nfs/dbraw/zinc/97/74/45/476977445.db2.gz YBCHYZPXDUSCQH-SJORKVTESA-N 1 1 336.388 2.604 20 10 EFCDMO CC[C@H]([NH2+][C@H]1CCCc2c1cnn2CCO)c1ccc(F)cc1O ZINC000375790692 477007196 /nfs/dbraw/zinc/00/71/96/477007196.db2.gz NKUGKYCIYUOEKR-HOTGVXAUSA-N 1 1 333.407 2.838 20 10 EFCDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@H](N3CCCCC3=O)C2)c1 ZINC000371372859 477272357 /nfs/dbraw/zinc/27/23/57/477272357.db2.gz IIXXTROTLCFOJJ-INIZCTEOSA-N 1 1 332.444 2.768 20 10 EFCDMO CCOC[C@@H]1C[N@@H+](Cc2c(O)ccc3ccc(OC)cc32)CCO1 ZINC000530107175 477877234 /nfs/dbraw/zinc/87/72/34/477877234.db2.gz QBMHSCKHSYRKDY-INIZCTEOSA-N 1 1 331.412 2.791 20 10 EFCDMO Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000471896257 478010611 /nfs/dbraw/zinc/01/06/11/478010611.db2.gz DAZSAQFRYVNOEL-CQSZACIVSA-N 1 1 326.444 2.523 20 10 EFCDMO Cc1c2ccccc2n(C)c1CNC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000472221148 478012078 /nfs/dbraw/zinc/01/20/78/478012078.db2.gz MLIYUAMEMZNOCG-HNAYVOBHSA-N 1 1 340.471 2.722 20 10 EFCDMO Cc1c2ccccc2n(C)c1CNC(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000471972038 478012688 /nfs/dbraw/zinc/01/26/88/478012688.db2.gz DNYNESHATNYWJF-ZFWWWQNUSA-N 1 1 328.460 2.769 20 10 EFCDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)NCc2c(C)c3ccccc3n2C)C1 ZINC000472228761 478012843 /nfs/dbraw/zinc/01/28/43/478012843.db2.gz GHAAXNJNCPULPV-MRXNPFEDSA-N 1 1 342.487 2.970 20 10 EFCDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)NCc2c(C)c3ccccc3n2C)C1 ZINC000472228760 478013321 /nfs/dbraw/zinc/01/33/21/478013321.db2.gz GHAAXNJNCPULPV-INIZCTEOSA-N 1 1 342.487 2.970 20 10 EFCDMO CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000564730532 478797343 /nfs/dbraw/zinc/79/73/43/478797343.db2.gz OPEYUWAKOBAYTH-IBGZPJMESA-N 1 1 339.439 2.781 20 10 EFCDMO CCOC[C@@H]1C[N@H+](Cc2cc(OC)cc(C(C)(C)C)c2O)CCO1 ZINC000529666824 479239936 /nfs/dbraw/zinc/23/99/36/479239936.db2.gz OXKXXOKMIJSFBW-INIZCTEOSA-N 1 1 337.460 2.936 20 10 EFCDMO CCOC[C@@H]1C[N@@H+](Cc2cc(OC)cc(C(C)(C)C)c2O)CCO1 ZINC000529666824 479239938 /nfs/dbraw/zinc/23/99/38/479239938.db2.gz OXKXXOKMIJSFBW-INIZCTEOSA-N 1 1 337.460 2.936 20 10 EFCDMO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H](C3OCCO3)C2)c1O ZINC000177100820 527206702 /nfs/dbraw/zinc/20/67/02/527206702.db2.gz ISTZNQLEVNBNIE-GFCCVEGCSA-N 1 1 339.819 2.833 20 10 EFCDMO CCCC[N@H+](Cc1ccc(N(C)C)c(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000160766674 528440990 /nfs/dbraw/zinc/44/09/90/528440990.db2.gz XNYGIOXOLWSBQQ-OAHLLOKOSA-N 1 1 342.480 2.681 20 10 EFCDMO CCCC[N@@H+](Cc1ccc(N(C)C)c(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000160766674 528440994 /nfs/dbraw/zinc/44/09/94/528440994.db2.gz XNYGIOXOLWSBQQ-OAHLLOKOSA-N 1 1 342.480 2.681 20 10 EFCDMO CCCC[N@@H+](Cc1cc(OCC)ccc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000160786371 528441016 /nfs/dbraw/zinc/44/10/16/528441016.db2.gz VLQBKUKXLHMVED-OAHLLOKOSA-N 1 1 341.473 2.580 20 10 EFCDMO CC[N@H+](Cc1ccc(N2CCCCC2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000160538212 528787002 /nfs/dbraw/zinc/78/70/02/528787002.db2.gz MVTRGTOHWWJXIV-GOSISDBHSA-N 1 1 336.501 2.686 20 10 EFCDMO CC[N@@H+](Cc1ccc(N2CCCCC2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000160538212 528787006 /nfs/dbraw/zinc/78/70/06/528787006.db2.gz MVTRGTOHWWJXIV-GOSISDBHSA-N 1 1 336.501 2.686 20 10 EFCDMO CC[N@H+](Cc1ccc(N2CCCCC2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000160538370 528787085 /nfs/dbraw/zinc/78/70/85/528787085.db2.gz MVTRGTOHWWJXIV-SFHVURJKSA-N 1 1 336.501 2.686 20 10 EFCDMO CC[N@@H+](Cc1ccc(N2CCCCC2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000160538370 528787091 /nfs/dbraw/zinc/78/70/91/528787091.db2.gz MVTRGTOHWWJXIV-SFHVURJKSA-N 1 1 336.501 2.686 20 10 EFCDMO CN(C)C[C@](C)(O)C[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000295673408 535974120 /nfs/dbraw/zinc/97/41/20/535974120.db2.gz KJGIDDMZGNCBSU-LJQANCHMSA-N 1 1 347.528 2.787 20 10 EFCDMO COC[C@H]1C[N@@H+](Cc2ccc(N3CCC(OC)CC3)cc2)C[C@H](C)O1 ZINC000296035636 536587094 /nfs/dbraw/zinc/58/70/94/536587094.db2.gz PKXVTMATCQLTLJ-OXJNMPFZSA-N 1 1 348.487 2.538 20 10 EFCDMO COc1ccc(N2CCC[N@@H+](C[C@H](O)Cc3ccccc3)CC2)cc1 ZINC000193705415 536671352 /nfs/dbraw/zinc/67/13/52/536671352.db2.gz WLQVNBWZWJKVFI-HXUWFJFHSA-N 1 1 340.467 2.811 20 10 EFCDMO COc1ccc(N2CCC[N@@H+](Cc3cccnc3OC)CC2)cc1 ZINC000193314633 536672955 /nfs/dbraw/zinc/67/29/55/536672955.db2.gz GLMBZIPNCSTOAG-UHFFFAOYSA-N 1 1 327.428 2.811 20 10 EFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@H](O)Cc2cccc(F)c2)c1 ZINC000297188411 536792618 /nfs/dbraw/zinc/79/26/18/536792618.db2.gz FFKNDMKWRATXLT-BLLLJJGKSA-N 1 1 347.386 2.572 20 10 EFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@](C)(O)c2cccs2)c1 ZINC000273588261 536793883 /nfs/dbraw/zinc/79/38/83/536793883.db2.gz OJRXIXXSFOWAIU-APPDUMDISA-N 1 1 335.425 2.799 20 10 EFCDMO 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COc1cccc(O)c1C[NH+]1CCN(CCc2ccccc2)CC1 ZINC000768216213 577261273 /nfs/dbraw/zinc/26/12/73/577261273.db2.gz RHMQDJWBMQYEBU-UHFFFAOYSA-N 1 1 326.440 2.761 20 10 EFCDMO CCN(CC)c1ccc(C[NH+]2CCN(C(=O)N3CCCC3)CC2)cc1 ZINC000768227591 577261669 /nfs/dbraw/zinc/26/16/69/577261669.db2.gz RHHPERSIAFXTCD-UHFFFAOYSA-N 1 1 344.503 2.866 20 10 EFCDMO CCOc1ccc(O)c(C[NH+]2CCN(C(=O)N3CCCCC3)CC2)c1 ZINC000768227684 577261756 /nfs/dbraw/zinc/26/17/56/577261756.db2.gz VFMFQZXYUQHMGW-UHFFFAOYSA-N 1 1 347.459 2.514 20 10 EFCDMO CN(C)c1ccc(CN2CCC[N@@H+](C[C@H]3CCCO3)CC2)cc1F ZINC000768252136 577263094 /nfs/dbraw/zinc/26/30/94/577263094.db2.gz XYAUDASKQBQZKG-QGZVFWFLSA-N 1 1 335.467 2.578 20 10 EFCDMO CCOc1ccc(O)c(C[NH+]2CCN(C(=O)C(CC)CC)CC2)c1 ZINC000768334329 577266954 /nfs/dbraw/zinc/26/69/54/577266954.db2.gz OMVVYESRDNSJPU-UHFFFAOYSA-N 1 1 334.460 2.871 20 10 EFCDMO C[N@@H+](CCOc1ccc(Cl)cc1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768437818 577273359 /nfs/dbraw/zinc/27/33/59/577273359.db2.gz JOVSXOCTTGBBLC-KRWDZBQOSA-N 1 1 349.814 2.982 20 10 EFCDMO CN(C)c1ccc(C[N@@H+](C)Cc2cc3c(cc2O)OC[C@@H]3O)cc1 ZINC000768440783 577273782 /nfs/dbraw/zinc/27/37/82/577273782.db2.gz DRNNMJQXZKKSCH-SFHVURJKSA-N 1 1 328.412 2.516 20 10 EFCDMO O=C(N1CCCC1)N1CC[NH+](Cc2cc3c(cc2O)CCCC3)CC1 ZINC000768441290 577273795 /nfs/dbraw/zinc/27/37/95/577273795.db2.gz IXUDCIIDMJRCQL-UHFFFAOYSA-N 1 1 343.471 2.604 20 10 EFCDMO COc1ccccc1OCC[N@@H+](C)Cc1cc(OC)c(OC)cc1O ZINC000768444319 577274033 /nfs/dbraw/zinc/27/40/33/577274033.db2.gz XLKYUJLHSQDPJH-UHFFFAOYSA-N 1 1 347.411 2.929 20 10 EFCDMO C[N@H+](Cc1cc2c(cc1O)OC[C@H]2O)C[C@H]1OCCc2ccccc21 ZINC000768444668 577274053 /nfs/dbraw/zinc/27/40/53/577274053.db2.gz NGCDLVRVHPRSRC-UYAOXDASSA-N 1 1 341.407 2.564 20 10 EFCDMO COc1ccc([C@@H]2CC[N@@H+](Cc3cc4c(cc3O)OC[C@@H]4O)C2)cc1 ZINC000768444722 577274150 /nfs/dbraw/zinc/27/41/50/577274150.db2.gz NVCZIHITRSMBDF-KUHUBIRLSA-N 1 1 341.407 2.816 20 10 EFCDMO COc1cc(C[N@H+]2CCC[C@@H](N3CCCCC3=O)C2)c(O)cc1C ZINC000768445722 577274454 /nfs/dbraw/zinc/27/44/54/577274454.db2.gz GSIDKSGJQOLWSJ-MRXNPFEDSA-N 1 1 332.444 2.686 20 10 EFCDMO CCC1(CC)[C@H](OC)C[C@@H]1[N@@H+](C)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768462500 577275565 /nfs/dbraw/zinc/27/55/65/577275565.db2.gz MCJVXRWQSKAXCY-BPQIPLTHSA-N 1 1 335.444 2.844 20 10 EFCDMO C[C@]1(c2ccccc2)C[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)CCO1 ZINC000768462727 577275938 /nfs/dbraw/zinc/27/59/38/577275938.db2.gz CFSJHFKWWIYWHK-UYAOXDASSA-N 1 1 341.407 2.566 20 10 EFCDMO Cc1cccc([C@H]2CCC[N@H+]2Cc2cc3c(cc2O)OC[C@@H]3O)n1 ZINC000768463656 577275975 /nfs/dbraw/zinc/27/59/75/577275975.db2.gz VNZMXCBUOVBQMA-AEFFLSMTSA-N 1 1 326.396 2.859 20 10 EFCDMO Cc1cc(C(=O)C[N@H+]2C[C@@H](C)[C@H](O)C2)c(C)n1-c1cccc(F)c1 ZINC000768770088 577300467 /nfs/dbraw/zinc/30/04/67/577300467.db2.gz RNQXUUYZKJDQIY-KZULUSFZSA-N 1 1 330.403 2.729 20 10 EFCDMO Cc1cc(C(=O)C[N@@H+]2C[C@@H](C)[C@H](O)C2)c(C)n1-c1cccc(F)c1 ZINC000768770088 577300469 /nfs/dbraw/zinc/30/04/69/577300469.db2.gz RNQXUUYZKJDQIY-KZULUSFZSA-N 1 1 330.403 2.729 20 10 EFCDMO Cc1cc(C(=O)C[N@@H+]2C[C@H](O)[C@@H](C)C2)c(C)n1-c1ccccc1C ZINC000768771363 577300769 /nfs/dbraw/zinc/30/07/69/577300769.db2.gz WNEHTZFCXKEIRM-LIRRHRJNSA-N 1 1 326.440 2.898 20 10 EFCDMO Cc1cc(C(=O)C[N@H+]2C[C@H](O)[C@@H](C)C2)c(C)n1-c1ccccc1C ZINC000768771363 577300770 /nfs/dbraw/zinc/30/07/70/577300770.db2.gz WNEHTZFCXKEIRM-LIRRHRJNSA-N 1 1 326.440 2.898 20 10 EFCDMO COC(=O)[C@@H](C)C[N@@H+](C)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000768880795 577313523 /nfs/dbraw/zinc/31/35/23/577313523.db2.gz IHIQEEGLYYNXDX-AWEZNQCLSA-N 1 1 349.431 2.826 20 10 EFCDMO CN(C)c1ccc(C[NH+]2CCN(C3=NCC(C)(C)S3)CC2)cc1 ZINC000768886200 577314235 /nfs/dbraw/zinc/31/42/35/577314235.db2.gz NXIAIDDGTOQKPL-UHFFFAOYSA-N 1 1 332.517 2.752 20 10 EFCDMO CCC[N@H+](CC(=O)OCC)Cc1cc(Br)ccc1O ZINC000768998039 577323062 /nfs/dbraw/zinc/32/30/62/577323062.db2.gz KTYMAHDFZHBREA-UHFFFAOYSA-N 1 1 330.222 2.930 20 10 EFCDMO CCC[N@@H+](CC(=O)OCC)Cc1cc(Br)ccc1O ZINC000768998039 577323063 /nfs/dbraw/zinc/32/30/63/577323063.db2.gz KTYMAHDFZHBREA-UHFFFAOYSA-N 1 1 330.222 2.930 20 10 EFCDMO CCOc1ccc(C[N@H+]2CCC[C@@H]2CN2C[C@H](C)O[C@@H](C)C2)c(O)c1 ZINC000769106983 577334774 /nfs/dbraw/zinc/33/47/74/577334774.db2.gz HZVVLEJCRLUIDA-XYJFISCASA-N 1 1 348.487 2.865 20 10 EFCDMO C[N@@H+](CCOC(=O)/C=C/c1ccc(O)c(O)c1)Cc1ccc(F)cc1 ZINC000769118622 577336584 /nfs/dbraw/zinc/33/65/84/577336584.db2.gz XRRFDHNQDAYMEU-WEVVVXLNSA-N 1 1 345.370 2.925 20 10 EFCDMO COc1cccc(O)c1C[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC000769388532 577357925 /nfs/dbraw/zinc/35/79/25/577357925.db2.gz SORMZBHMTOXISD-AWEZNQCLSA-N 1 1 334.460 2.775 20 10 EFCDMO CC[N@H+]1C[C@@H](C)N(Cc2ccc(N3CCOCC3)c(F)c2)C[C@H]1C ZINC000769467821 577364693 /nfs/dbraw/zinc/36/46/93/577364693.db2.gz ZKYKMBSOYZPHSJ-HZPDHXFCSA-N 1 1 335.467 2.577 20 10 EFCDMO NC(=O)CCC1CC[NH+](Cc2cccc(Br)c2O)CC1 ZINC000769468691 577364838 /nfs/dbraw/zinc/36/48/38/577364838.db2.gz OGXBCLVORUVYFW-UHFFFAOYSA-N 1 1 341.249 2.632 20 10 EFCDMO CC[N@H+]1CC[C@H](N(C)Cc2ccc(N3CCOCC3)c(F)c2)C[C@H]1C ZINC000769470633 577365048 /nfs/dbraw/zinc/36/50/48/577365048.db2.gz MLYQOMSBTQJHAE-AEFFLSMTSA-N 1 1 349.494 2.967 20 10 EFCDMO CCN1CC[C@H]([N@H+](C)Cc2ccc(N3CCOCC3)c(F)c2)C[C@H]1C ZINC000769470633 577365053 /nfs/dbraw/zinc/36/50/53/577365053.db2.gz MLYQOMSBTQJHAE-AEFFLSMTSA-N 1 1 349.494 2.967 20 10 EFCDMO CCN1CC[C@H]([N@@H+](C)Cc2ccc(N3CCOCC3)c(F)c2)C[C@H]1C ZINC000769470633 577365054 /nfs/dbraw/zinc/36/50/54/577365054.db2.gz MLYQOMSBTQJHAE-AEFFLSMTSA-N 1 1 349.494 2.967 20 10 EFCDMO CCN1CC[C@H]([N@H+](C)Cc2ccc(N3CCOCC3)cc2)C[C@H]1C ZINC000769471340 577365132 /nfs/dbraw/zinc/36/51/32/577365132.db2.gz SSAQJWCBMNXSNK-XLIONFOSSA-N 1 1 331.504 2.828 20 10 EFCDMO CCN1CC[C@H]([N@@H+](C)Cc2ccc(N3CCOCC3)cc2)C[C@H]1C ZINC000769471340 577365133 /nfs/dbraw/zinc/36/51/33/577365133.db2.gz SSAQJWCBMNXSNK-XLIONFOSSA-N 1 1 331.504 2.828 20 10 EFCDMO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(N3CCOCC3)cc2)C[C@H]1C ZINC000769471340 577365135 /nfs/dbraw/zinc/36/51/35/577365135.db2.gz SSAQJWCBMNXSNK-XLIONFOSSA-N 1 1 331.504 2.828 20 10 EFCDMO CC[N@H+]1CC[C@H](N(C)Cc2ccc(N3CCOCC3)cc2)C[C@H]1C ZINC000769471340 577365137 /nfs/dbraw/zinc/36/51/37/577365137.db2.gz SSAQJWCBMNXSNK-XLIONFOSSA-N 1 1 331.504 2.828 20 10 EFCDMO CCOc1ccc(C[N@@H+](C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)c(O)c1 ZINC000769482888 577365972 /nfs/dbraw/zinc/36/59/72/577365972.db2.gz KPPRMSZOPWQYDF-RDJZCZTQSA-N 1 1 341.473 2.579 20 10 EFCDMO CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000769515363 577369119 /nfs/dbraw/zinc/36/91/19/577369119.db2.gz OZHLGEZFXROIMD-INIZCTEOSA-N 1 1 326.868 2.978 20 10 EFCDMO CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000769515363 577369120 /nfs/dbraw/zinc/36/91/20/577369120.db2.gz OZHLGEZFXROIMD-INIZCTEOSA-N 1 1 326.868 2.978 20 10 EFCDMO COc1cccc(O)c1C[N@@H+]1CCOC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000770349241 577412301 /nfs/dbraw/zinc/41/23/01/577412301.db2.gz FMLPAOHSCXMBMF-QFBILLFUSA-N 1 1 343.423 2.725 20 10 EFCDMO COc1cccc(O)c1C[N@H+]1CCOC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000770349241 577412302 /nfs/dbraw/zinc/41/23/02/577412302.db2.gz FMLPAOHSCXMBMF-QFBILLFUSA-N 1 1 343.423 2.725 20 10 EFCDMO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1C[N@H+](Cc2ccccc2O)CCO1 ZINC000770506172 577422092 /nfs/dbraw/zinc/42/20/92/577422092.db2.gz WSFPCPLRSQTDLN-BBRMVZONSA-N 1 1 336.432 2.506 20 10 EFCDMO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1C[N@@H+](Cc2ccccc2O)CCO1 ZINC000770506172 577422094 /nfs/dbraw/zinc/42/20/94/577422094.db2.gz WSFPCPLRSQTDLN-BBRMVZONSA-N 1 1 336.432 2.506 20 10 EFCDMO COCC[N@@H+](C)CCNC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000726982985 577427369 /nfs/dbraw/zinc/42/73/69/577427369.db2.gz IWXIQXQCINELDS-UHFFFAOYSA-N 1 1 347.434 2.541 20 10 EFCDMO COC(=O)c1ccc(N2CC[N@@H+](Cc3ccccc3O)[C@@H](C)C2)cc1 ZINC000770510181 581104556 /nfs/dbraw/zinc/10/45/56/581104556.db2.gz LMVUNDVJMBPOED-HNNXBMFYSA-N 1 1 340.423 2.890 20 10 EFCDMO CN1CCN(c2ccc(C[NH2+]CC3(O)CCCCCC3)cc2)CC1 ZINC000771844125 581249808 /nfs/dbraw/zinc/24/98/08/581249808.db2.gz WEBKJYCEPGFHRF-UHFFFAOYSA-N 1 1 331.504 2.613 20 10 EFCDMO C[C@@H](C[C@@H](O)c1ccco1)[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000771864200 581252037 /nfs/dbraw/zinc/25/20/37/581252037.db2.gz KIAAKVGCBMBWMP-QFBILLFUSA-N 1 1 343.471 2.633 20 10 EFCDMO C[C@@H](C[C@H](O)c1ccco1)[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000771864198 581252136 /nfs/dbraw/zinc/25/21/36/581252136.db2.gz KIAAKVGCBMBWMP-LPHOPBHVSA-N 1 1 343.471 2.633 20 10 EFCDMO CSc1cc(C[NH2+]Cc2ccc(N3CCN(C)CC3)cc2)ccn1 ZINC000771882027 581254245 /nfs/dbraw/zinc/25/42/45/581254245.db2.gz PSEYHTYSZMWKJN-UHFFFAOYSA-N 1 1 342.512 2.845 20 10 EFCDMO CC(C)[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCN(C)CC3)cc2)CCO1 ZINC000771888367 581254957 /nfs/dbraw/zinc/25/49/57/581254957.db2.gz OLQHXRCCKZCPBX-AZUAARDMSA-N 1 1 331.504 2.732 20 10 EFCDMO C[C@@H]([NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1nccs1 ZINC000772445182 581323393 /nfs/dbraw/zinc/32/33/93/581323393.db2.gz OYCQJCVVMLFPSH-HIFRSBDPSA-N 1 1 344.484 2.696 20 10 EFCDMO CCc1nnc([C@@H](C)[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)[nH]1 ZINC000773142701 581400500 /nfs/dbraw/zinc/40/05/00/581400500.db2.gz ZTQMPSIQGGCKEC-CHWSQXEVSA-N 1 1 347.438 2.755 20 10 EFCDMO Cc1[nH+]ccn1CCCNC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773217761 581406540 /nfs/dbraw/zinc/40/65/40/581406540.db2.gz MLLJGKNIIFACHR-CQSZACIVSA-N 1 1 329.448 2.708 20 10 EFCDMO C[C@@H](NC(=O)NC[C@H]1CC[N@H+](C2CC2)C1)c1ccc(N(C)C)cc1 ZINC000773365830 581423447 /nfs/dbraw/zinc/42/34/47/581423447.db2.gz ZYMJUCAYKMPDRC-HUUCEWRRSA-N 1 1 330.476 2.597 20 10 EFCDMO CC(C)[N@H+]1CC[C@H](CNC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000773369723 581423875 /nfs/dbraw/zinc/42/38/75/581423875.db2.gz XLYVQDSWJZVKEK-JKSUJKDBSA-N 1 1 332.492 2.843 20 10 EFCDMO Oc1c(Br)cccc1C[NH2+]C[C@@H]1COC2(CCCC2)O1 ZINC000773413376 581428207 /nfs/dbraw/zinc/42/82/07/581428207.db2.gz FMNMVFQEDAVRJH-GFCCVEGCSA-N 1 1 342.233 2.930 20 10 EFCDMO CC[N@H+]1C[C@H](C)N(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C[C@@H]1C ZINC000773616073 581450713 /nfs/dbraw/zinc/45/07/13/581450713.db2.gz HGNCQDUSHTXRQA-JYJNAYRXSA-N 1 1 332.492 2.938 20 10 EFCDMO CCN(C)c1ccc(C[N@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)cc1 ZINC000773848900 581469481 /nfs/dbraw/zinc/46/94/81/581469481.db2.gz PZMKNOQSUMGHAZ-AWEZNQCLSA-N 1 1 343.393 2.643 20 10 EFCDMO CCN(C)c1ccc(C[NH+]2CCN(C(=O)NC(C)(C)C)CC2)cc1 ZINC000773861270 581470237 /nfs/dbraw/zinc/47/02/37/581470237.db2.gz UYMDSQOSDPIPPB-UHFFFAOYSA-N 1 1 332.492 2.768 20 10 EFCDMO C[C@@H]([NH2+]C[C@H](C)S(C)(=O)=O)c1cc(Cl)c(Cl)cc1O ZINC000774266602 581488394 /nfs/dbraw/zinc/48/83/94/581488394.db2.gz REMOAPHNAQGJON-JGVFFNPUSA-N 1 1 326.245 2.783 20 10 EFCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCN2CCCC(C)(C)C2)c1 ZINC000774484657 581492579 /nfs/dbraw/zinc/49/25/79/581492579.db2.gz CRZXGTIMICSVAC-CQSZACIVSA-N 1 1 334.460 2.951 20 10 EFCDMO COc1cc2[nH+]c(NCc3ccccc3O)nc(N)c2cc1OC ZINC000774523975 581493243 /nfs/dbraw/zinc/49/32/43/581493243.db2.gz MAFJPMJXINLYLI-UHFFFAOYSA-N 1 1 326.356 2.547 20 10 EFCDMO COc1c(O)c(C[NH2+]Cc2ccc(NC(C)=O)cc2)ccc1[N+](=O)[O-] ZINC000774950282 581504998 /nfs/dbraw/zinc/50/49/98/581504998.db2.gz OECNTFNLDFEIPP-UHFFFAOYSA-N 1 1 345.355 2.557 20 10 EFCDMO O=C1N(C2CCCC2)CC[C@@]12CC[N@H+](Cc1cc(F)ccc1O)C2 ZINC001273286057 1265478703 /nfs/dbraw/zinc/47/87/03/1265478703.db2.gz YARSXTLSZIFVJF-LJQANCHMSA-N 1 1 332.419 2.898 20 10 EFCDMO Cc1cc(Br)c(O)c(C[NH2+]C[C@@H](CO)CC2CC2)c1 ZINC000850388001 1250459766 /nfs/dbraw/zinc/45/97/66/1250459766.db2.gz FRNBOKMXGDDWMG-LBPRGKRZSA-N 1 1 328.250 2.961 20 10 EFCDMO COc1ccc(N2C[C@@H]([NH2+][C@H](C)c3ccc(F)cc3O)CC2=O)cc1 ZINC000850515911 1250519666 /nfs/dbraw/zinc/51/96/66/1250519666.db2.gz QNZOTUNEPYRVIN-OCCSQVGLSA-N 1 1 344.386 2.996 20 10 EFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2c(C3CC3)cnn2C)c1 ZINC000850534198 1250527104 /nfs/dbraw/zinc/52/71/04/1250527104.db2.gz GQRYCXJOHCWDSI-NSHDSACASA-N 1 1 329.400 2.641 20 10 EFCDMO Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2nc(C(N)=O)cs2)c1O ZINC000850540989 1250528314 /nfs/dbraw/zinc/52/83/14/1250528314.db2.gz RFXXOHNXTLAFKU-QMMMGPOBSA-N 1 1 325.821 2.760 20 10 EFCDMO CC(C)[NH+]1CCC(NCc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000850565720 1250539503 /nfs/dbraw/zinc/53/95/03/1250539503.db2.gz HQQFUHAEMJJISS-UHFFFAOYSA-N 1 1 331.504 2.610 20 10 EFCDMO CC(C)N1CCC([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000850565720 1250539511 /nfs/dbraw/zinc/53/95/11/1250539511.db2.gz HQQFUHAEMJJISS-UHFFFAOYSA-N 1 1 331.504 2.610 20 10 EFCDMO C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1cc2n(n1)CCC2 ZINC000850567539 1250539810 /nfs/dbraw/zinc/53/98/10/1250539810.db2.gz FHXJTSLWWVCTSB-OAHLLOKOSA-N 1 1 340.471 2.641 20 10 EFCDMO Oc1c(Br)cc(Cl)cc1CN1CC2(C1)CC[NH2+]C2 ZINC000724073581 1251531505 /nfs/dbraw/zinc/53/15/05/1251531505.db2.gz PTTKCLFHEKBEDD-UHFFFAOYSA-N 1 1 331.641 2.603 20 10 EFCDMO CC[C@@H](C)N1C(=O)C[C@]2(CCC[N@H+](Cc3cccc(F)c3O)C2)C1=O ZINC001273303274 1266023095 /nfs/dbraw/zinc/02/30/95/1266023095.db2.gz KWZNKLSKUWXAGC-YJYMSZOUSA-N 1 1 348.418 2.671 20 10 EFCDMO CC[C@@H](C)N1C(=O)C[C@]2(CCC[N@@H+](Cc3cccc(F)c3O)C2)C1=O ZINC001273303274 1266023106 /nfs/dbraw/zinc/02/31/06/1266023106.db2.gz KWZNKLSKUWXAGC-YJYMSZOUSA-N 1 1 348.418 2.671 20 10 EFCDMO O=C1C[C@@]2(CN1CC(F)F)CCCC[N@H+]2Cc1cccc(F)c1O ZINC001273303421 1266026103 /nfs/dbraw/zinc/02/61/03/1266026103.db2.gz ANGYCGFUBAIMTQ-QGZVFWFLSA-N 1 1 342.361 2.753 20 10 EFCDMO O=C1C[C@@]2(CN1CC(F)F)CCCC[N@@H+]2Cc1cccc(F)c1O ZINC001273303421 1266026112 /nfs/dbraw/zinc/02/61/12/1266026112.db2.gz ANGYCGFUBAIMTQ-QGZVFWFLSA-N 1 1 342.361 2.753 20 10 EFCDMO Cc1ccc(C[N@H+]2CC[C@@]3(CCN(CC(F)(F)F)C3=O)C2)c(O)c1 ZINC001272764565 1257674284 /nfs/dbraw/zinc/67/42/84/1257674284.db2.gz BBNXFOGDECIXHP-MRXNPFEDSA-N 1 1 342.361 2.687 20 10 EFCDMO Cn1nc(COCC2CC2)c2c1CC[N@@H+](Cc1ccccc1O)C2 ZINC001203552218 1258202585 /nfs/dbraw/zinc/20/25/85/1258202585.db2.gz FHFYOSUWGDNRAY-UHFFFAOYSA-N 1 1 327.428 2.611 20 10 EFCDMO Cc1cc([C@H](C)[NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)nn1C ZINC000903448070 1260720727 /nfs/dbraw/zinc/72/07/27/1260720727.db2.gz JAXRMBUBRHHMMK-KXBFYZLASA-N 1 1 329.492 2.748 20 10 EFCDMO O=C1N(CC2CCCC2)CC[C@@]12CCC[N@H+]2Cc1ccc(O)c(O)c1 ZINC001272902467 1261292893 /nfs/dbraw/zinc/29/28/93/1261292893.db2.gz DDHZPBKMWNSKAH-FQEVSTJZSA-N 1 1 344.455 2.855 20 10 EFCDMO O=C1N(CC2CCCC2)CC[C@@]12CCC[N@@H+]2Cc1ccc(O)c(O)c1 ZINC001272902467 1261292895 /nfs/dbraw/zinc/29/28/95/1261292895.db2.gz DDHZPBKMWNSKAH-FQEVSTJZSA-N 1 1 344.455 2.855 20 10 EFCDMO CC[C@H](C)N1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ccc(O)c(O)c1 ZINC001272902570 1261293619 /nfs/dbraw/zinc/29/36/19/1261293619.db2.gz FCLXAKMMISZPED-IFXJQAMLSA-N 1 1 332.444 2.853 20 10 EFCDMO O=C1N(C2CCCC2)CC[C@]12CCC[N@H+]2Cc1ccc(O)c(O)c1 ZINC001272903432 1261295907 /nfs/dbraw/zinc/29/59/07/1261295907.db2.gz TYETWTSPRZJYER-LJQANCHMSA-N 1 1 330.428 2.607 20 10 EFCDMO O=C1N(C2CCCC2)CC[C@]12CCC[N@@H+]2Cc1ccc(O)c(O)c1 ZINC001272903432 1261295912 /nfs/dbraw/zinc/29/59/12/1261295912.db2.gz TYETWTSPRZJYER-LJQANCHMSA-N 1 1 330.428 2.607 20 10 EFCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@]3(CC(=O)N(C)C3=O)C2)cc1 ZINC001272916348 1261326030 /nfs/dbraw/zinc/32/60/30/1261326030.db2.gz GCGNSNDNPKFRJJ-FQEVSTJZSA-N 1 1 343.471 2.504 20 10 EFCDMO CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(N=NC(N)=O)cc3)CC[C@@H]2C1 ZINC000946907211 1261753108 /nfs/dbraw/zinc/75/31/08/1261753108.db2.gz WFJMUIOFCLEXRK-GASCZTMLSA-N 1 1 343.431 2.653 20 10 EFCDMO O[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCc2ccc3c(c2)CCCO3)CC1 ZINC000921860694 1262923533 /nfs/dbraw/zinc/92/35/33/1262923533.db2.gz UPDCPKODLOJQFK-VQTJNVASSA-N 1 1 344.499 2.869 20 10 EFCDMO O=C1CC[C@@H]2[C@@H](CC[N@H+]2Cc2c(O)cccc2F)N1CC(F)(F)F ZINC001273265068 1265191548 /nfs/dbraw/zinc/19/15/48/1265191548.db2.gz AMGGDSIYWNDTKO-CHWSQXEVSA-N 1 1 346.324 2.659 20 10 EFCDMO O=C1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2c(O)cccc2F)N1CC(F)(F)F ZINC001273265068 1265191552 /nfs/dbraw/zinc/19/15/52/1265191552.db2.gz AMGGDSIYWNDTKO-CHWSQXEVSA-N 1 1 346.324 2.659 20 10 EFCDMO CC[C@H](C)N1C(=O)C[C@]2(CCC[N@H+](Cc3c(O)cccc3F)C2)C1=O ZINC001273265368 1265209205 /nfs/dbraw/zinc/20/92/05/1265209205.db2.gz FVAILHVJTNSBIW-DJJJIMSYSA-N 1 1 348.418 2.671 20 10 EFCDMO CC[C@H](C)N1C(=O)C[C@]2(CCC[N@@H+](Cc3c(O)cccc3F)C2)C1=O ZINC001273265368 1265209210 /nfs/dbraw/zinc/20/92/10/1265209210.db2.gz FVAILHVJTNSBIW-DJJJIMSYSA-N 1 1 348.418 2.671 20 10 EFCDMO C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H]3[C@H]3CCC[C@@H]3O)cc2)CC1 ZINC000824716492 1278258626 /nfs/dbraw/zinc/25/86/26/1278258626.db2.gz VRCVNCMNWMGPHV-NJYVYQBISA-N 1 1 343.515 2.564 20 10 EFCDMO CN1CCN(c2ccc(C[N@@H+]3CCC[C@@H]3[C@H]3CCC[C@@H]3O)cc2)CC1 ZINC000824716492 1278258640 /nfs/dbraw/zinc/25/86/40/1278258640.db2.gz VRCVNCMNWMGPHV-NJYVYQBISA-N 1 1 343.515 2.564 20 10 EFCDMO CN1CCN(c2ccc(C[N@H+]3CCC[C@@H]3[C@H]3CCC[C@@H]3O)cc2)CC1 ZINC000824716492 1278258655 /nfs/dbraw/zinc/25/86/55/1278258655.db2.gz VRCVNCMNWMGPHV-NJYVYQBISA-N 1 1 343.515 2.564 20 10 EFCDMO C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H]3[C@H]3CCC[C@H]3O)cc2)CC1 ZINC000824716491 1278259195 /nfs/dbraw/zinc/25/91/95/1278259195.db2.gz VRCVNCMNWMGPHV-NJDAHSKKSA-N 1 1 343.515 2.564 20 10 EFCDMO CN1CCN(c2ccc(C[N@@H+]3CCC[C@@H]3[C@H]3CCC[C@H]3O)cc2)CC1 ZINC000824716491 1278259203 /nfs/dbraw/zinc/25/92/03/1278259203.db2.gz VRCVNCMNWMGPHV-NJDAHSKKSA-N 1 1 343.515 2.564 20 10 EFCDMO CN1CCN(c2ccc(C[N@H+]3CCC[C@@H]3[C@H]3CCC[C@H]3O)cc2)CC1 ZINC000824716491 1278259209 /nfs/dbraw/zinc/25/92/09/1278259209.db2.gz VRCVNCMNWMGPHV-NJDAHSKKSA-N 1 1 343.515 2.564 20 10 EFCDMO Cc1cc(NC(=O)C[N@@H+](Cc2ccccc2O)C2CCCC2)n(C)n1 ZINC000733613496 1265316800 /nfs/dbraw/zinc/31/68/00/1265316800.db2.gz YNYCDTWRLAHZNG-UHFFFAOYSA-N 1 1 342.443 2.817 20 10 EFCDMO COc1cccc(O)c1C[N@@H+](C)C1CC(NC(=O)OC(C)(C)C)C1 ZINC000824733466 1278269372 /nfs/dbraw/zinc/26/93/72/1278269372.db2.gz VGGGGJHMYYMTFB-UHFFFAOYSA-N 1 1 336.432 2.888 20 10 EFCDMO CC[C@@H](C)N1C[C@@]2(CC[N@@H+](Cc3c(C)ccc(C)c3O)C2)OCC1=O ZINC001273049059 1266786085 /nfs/dbraw/zinc/78/60/85/1266786085.db2.gz JRCKWHXNJHREBO-UZLBHIALSA-N 1 1 346.471 2.611 20 10 EFCDMO CC(=O)[C@@H](C)N1CC[C@@]2(CCC[N@H+]2Cc2c(C)ccc(C)c2O)C1=O ZINC001273049165 1266788832 /nfs/dbraw/zinc/78/88/32/1266788832.db2.gz ONNVVPWLGAHYLO-QRWLVFNGSA-N 1 1 344.455 2.553 20 10 EFCDMO CC(=O)[C@H](C)N1CC[C@@]2(CCC[N@H+]2Cc2c(C)ccc(C)c2O)C1=O ZINC001273049166 1266789162 /nfs/dbraw/zinc/78/91/62/1266789162.db2.gz ONNVVPWLGAHYLO-YWZLYKJASA-N 1 1 344.455 2.553 20 10 EFCDMO CCCCN1C[C@@]2(CC[N@@H+](Cc3c(C)ccc(C)c3O)C2)OCC1=O ZINC001273049223 1266792360 /nfs/dbraw/zinc/79/23/60/1266792360.db2.gz QFOWTFCBDMDGOQ-FQEVSTJZSA-N 1 1 346.471 2.612 20 10 EFCDMO Cc1ccc(C)c(C[N@H+]2CC[C@]3(CCN(CC(F)F)C3=O)C2)c1O ZINC001273049311 1266805310 /nfs/dbraw/zinc/80/53/10/1266805310.db2.gz STSKGOPZVPSSPV-SFHVURJKSA-N 1 1 338.398 2.699 20 10 EFCDMO CCOCc1cc(C[NH2+]Cc2ccc(C(=O)OC)o2)ccc1OC ZINC000734159347 1266898041 /nfs/dbraw/zinc/89/80/41/1266898041.db2.gz BNDVECVWUSUDTC-UHFFFAOYSA-N 1 1 333.384 2.901 20 10 EFCDMO Cc1cc(N(C)C)ccc1CNC(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000734530460 1267004169 /nfs/dbraw/zinc/00/41/69/1267004169.db2.gz CSGVTSUATISMTA-WBVHZDCISA-N 1 1 346.519 2.981 20 10 EFCDMO CO[C@H]1CC[N@H+](Cc2ccc(N3CCN(C)CC3)cc2)CC1(C)C ZINC000824821148 1278304396 /nfs/dbraw/zinc/30/43/96/1278304396.db2.gz VJCUUFGKRZJLJC-IBGZPJMESA-N 1 1 331.504 2.685 20 10 EFCDMO CO[C@H]1CC[N@@H+](Cc2ccc(N3CCN(C)CC3)cc2)CC1(C)C ZINC000824821148 1278304410 /nfs/dbraw/zinc/30/44/10/1278304410.db2.gz VJCUUFGKRZJLJC-IBGZPJMESA-N 1 1 331.504 2.685 20 10 EFCDMO COC(=O)C[C@H]1CCC[N@H+]1Cc1ccc(Br)cc1O ZINC000824856546 1278315277 /nfs/dbraw/zinc/31/52/77/1278315277.db2.gz ZSJKWYKDFKLEIR-GFCCVEGCSA-N 1 1 328.206 2.682 20 10 EFCDMO COc1cc(C[N@@H+]2CCN(C(C)=O)C[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC000824829283 1278321958 /nfs/dbraw/zinc/32/19/58/1278321958.db2.gz ILTXHDDSINCKKV-CYBMUJFWSA-N 1 1 334.460 2.751 20 10 EFCDMO COc1cc(C[N@H+]2CCN(C(C)=O)C[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC000824829283 1278321969 /nfs/dbraw/zinc/32/19/69/1278321969.db2.gz ILTXHDDSINCKKV-CYBMUJFWSA-N 1 1 334.460 2.751 20 10 EFCDMO COc1ccc2c(c1)C[N@@H+](Cc1cc(OC)c(OC)cc1O)CCO2 ZINC000824909422 1278336189 /nfs/dbraw/zinc/33/61/89/1278336189.db2.gz LVRAALRHMUMSBV-UHFFFAOYSA-N 1 1 345.395 2.813 20 10 EFCDMO COc1ccc2c(c1)C[N@H+](Cc1cc(OC)c(OC)cc1O)CCO2 ZINC000824909422 1278336200 /nfs/dbraw/zinc/33/62/00/1278336200.db2.gz LVRAALRHMUMSBV-UHFFFAOYSA-N 1 1 345.395 2.813 20 10 EFCDMO CCN(CC)c1ccc(C[N@@H+]2CCCC[C@H]2CS(C)(=O)=O)cc1 ZINC000824913619 1278340320 /nfs/dbraw/zinc/34/03/20/1278340320.db2.gz CNIJYZDLXKRRCP-SFHVURJKSA-N 1 1 338.517 2.932 20 10 EFCDMO CCN(CC)c1ccc(C[N@H+]2CCCC[C@H]2CS(C)(=O)=O)cc1 ZINC000824913619 1278340334 /nfs/dbraw/zinc/34/03/34/1278340334.db2.gz CNIJYZDLXKRRCP-SFHVURJKSA-N 1 1 338.517 2.932 20 10 EFCDMO CCN(CC)c1ccc(C[N@@H+](C)Cc2cc(=O)n3nccc3[nH]2)cc1 ZINC000738299240 1268441913 /nfs/dbraw/zinc/44/19/13/1268441913.db2.gz MVDZINBOTZQXOZ-UHFFFAOYSA-N 1 1 339.443 2.501 20 10 EFCDMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000738991696 1268623210 /nfs/dbraw/zinc/62/32/10/1268623210.db2.gz STNDCORPVRUZDX-IBGZPJMESA-N 1 1 344.503 2.551 20 10 EFCDMO COc1cc(Cl)cc(C[N@@H+](CCO)C2CCSCC2)c1O ZINC000825133727 1278423943 /nfs/dbraw/zinc/42/39/43/1278423943.db2.gz MAAZNDMGZBVINT-UHFFFAOYSA-N 1 1 331.865 2.744 20 10 EFCDMO CC[N@H+]1CCC[C@@H]1CNC(=S)NCc1ccc(N2CC=CC2)cc1 ZINC000740631529 1268984630 /nfs/dbraw/zinc/98/46/30/1268984630.db2.gz PAXUSDQMBXMGQJ-GOSISDBHSA-N 1 1 344.528 2.511 20 10 EFCDMO COC[C@]1(CO)CC[N@@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000825158582 1278455272 /nfs/dbraw/zinc/45/52/72/1278455272.db2.gz QVUXBWYCVZBYDR-HXUWFJFHSA-N 1 1 327.424 2.890 20 10 EFCDMO COc1ccc(N2CCCN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)cc1 ZINC000741140685 1269348727 /nfs/dbraw/zinc/34/87/27/1269348727.db2.gz VENMQDUGYFLYRN-CALCHBBNSA-N 1 1 345.487 2.607 20 10 EFCDMO C[C@H](F)CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001085994780 1269450042 /nfs/dbraw/zinc/45/00/42/1269450042.db2.gz UQKOQPHHVOLUMU-SWLSCSKDSA-N 1 1 349.410 2.743 20 10 EFCDMO CC[C@H](F)C[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001085994944 1269452270 /nfs/dbraw/zinc/45/22/70/1269452270.db2.gz ZKCVTHMKJMZABH-DZGCQCFKSA-N 1 1 349.410 2.743 20 10 EFCDMO CC[C@H](F)C[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001085994944 1269452274 /nfs/dbraw/zinc/45/22/74/1269452274.db2.gz ZKCVTHMKJMZABH-DZGCQCFKSA-N 1 1 349.410 2.743 20 10 EFCDMO C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cc(Br)ccc2O)C1 ZINC000700809916 1269550418 /nfs/dbraw/zinc/55/04/18/1269550418.db2.gz VZBAZKAWDGSONK-LBPRGKRZSA-N 1 1 327.266 2.976 20 10 EFCDMO C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2cc(Br)ccc2[O-])C1 ZINC000700809916 1269550423 /nfs/dbraw/zinc/55/04/23/1269550423.db2.gz VZBAZKAWDGSONK-LBPRGKRZSA-N 1 1 327.266 2.976 20 10 EFCDMO C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cc(Br)ccc2[O-])C1 ZINC000700809916 1269550428 /nfs/dbraw/zinc/55/04/28/1269550428.db2.gz VZBAZKAWDGSONK-LBPRGKRZSA-N 1 1 327.266 2.976 20 10 EFCDMO COCCC[N@@H+](C)CCNC(=O)c1sccc1-n1c(C)ccc1C ZINC000741726274 1269677892 /nfs/dbraw/zinc/67/78/92/1269677892.db2.gz GAJGJTKSCAHPJD-UHFFFAOYSA-N 1 1 349.500 2.854 20 10 EFCDMO CN(C(=O)c1ccc(N=NC(N)=O)cc1)[C@@H]1CC[N@H+](C/C=C/Cl)C1 ZINC001033699128 1269862238 /nfs/dbraw/zinc/86/22/38/1269862238.db2.gz LBNQQNSSXUYNFI-JRVQNELISA-N 1 1 349.822 2.748 20 10 EFCDMO CN(C(=O)c1ccc(N=NC(N)=O)cc1)[C@@H]1CC[N@@H+](C/C=C/Cl)C1 ZINC001033699128 1269862255 /nfs/dbraw/zinc/86/22/55/1269862255.db2.gz LBNQQNSSXUYNFI-JRVQNELISA-N 1 1 349.822 2.748 20 10 EFCDMO CC[C@@H](F)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001033700058 1269867540 /nfs/dbraw/zinc/86/75/40/1269867540.db2.gz TYHKGAJAGQGOQG-HIFRSBDPSA-N 1 1 349.410 2.743 20 10 EFCDMO CC[C@@H](F)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001033700058 1269867552 /nfs/dbraw/zinc/86/75/52/1269867552.db2.gz TYHKGAJAGQGOQG-HIFRSBDPSA-N 1 1 349.410 2.743 20 10 EFCDMO CCOc1ccc(N2CC[NH+](Cc3ccc(OC)nc3)CC2)cc1 ZINC001137039865 1278558269 /nfs/dbraw/zinc/55/82/69/1278558269.db2.gz QJXYAOFFTRTNHT-UHFFFAOYSA-N 1 1 327.428 2.811 20 10 EFCDMO COc1ccc(N2CCC[N@@H+](CCC(=O)N3CCC[C@H]3C)CC2)cc1 ZINC000743261770 1270494067 /nfs/dbraw/zinc/49/40/67/1270494067.db2.gz KFILIUYPDVZUIT-QGZVFWFLSA-N 1 1 345.487 2.608 20 10 EFCDMO CC[N@@H+](CCNC(=O)NCc1c(O)ccc2c1CCCC2)C(C)C ZINC000743591040 1270654164 /nfs/dbraw/zinc/65/41/64/1270654164.db2.gz FLQFBPKQGQCTMN-UHFFFAOYSA-N 1 1 333.476 2.801 20 10 EFCDMO CC[N@H+]1CCCC[C@H]1CNC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000743604792 1270661988 /nfs/dbraw/zinc/66/19/88/1270661988.db2.gz QVQSOCLRBZGZMY-INIZCTEOSA-N 1 1 345.487 2.945 20 10 EFCDMO CCN(C(=O)c1ccc(N=NC(N)=O)cc1)[C@@H]1CC[N@H+](C(C)C)C1 ZINC001034051916 1270930395 /nfs/dbraw/zinc/93/03/95/1270930395.db2.gz CPVISBOFVBXYIU-OAHLLOKOSA-N 1 1 331.420 2.794 20 10 EFCDMO CCN(C(=O)c1ccc(N=NC(N)=O)cc1)[C@H]1CC[N@@H+](CCCF)C1 ZINC001034052838 1270933701 /nfs/dbraw/zinc/93/37/01/1270933701.db2.gz MNWOGEFAUOYFDD-HNNXBMFYSA-N 1 1 349.410 2.745 20 10 EFCDMO COC(=O)[C@H]1CC12CC[NH+](Cc1c(O)ccc(Cl)c1F)CC2 ZINC000792164766 1278602829 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COC(=O)C1(C)CCC([N@H+]2CCCc3cc(O)c(O)cc3C2)CC1 ZINC001168794488 1272296854 /nfs/dbraw/zinc/29/68/54/1272296854.db2.gz UYNDCRDNFAJHDU-UHFFFAOYSA-N 1 1 333.428 2.968 20 10 EFCDMO CCN(CC)c1ccc(CNC(=O)[C@H]([NH3+])c2ccccc2OC)cc1 ZINC000844173164 1278780917 /nfs/dbraw/zinc/78/09/17/1278780917.db2.gz QRYNGWZNDKWSEE-LJQANCHMSA-N 1 1 341.455 2.858 20 10 EFCDMO [O-]c1cc(Br)ccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000691447769 1274088185 /nfs/dbraw/zinc/08/81/85/1274088185.db2.gz VSRLAACTPQQDBX-ZIAGYGMSSA-N 1 1 325.250 2.871 20 10 EFCDMO [O-]c1cc(Br)ccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000691447769 1274088196 /nfs/dbraw/zinc/08/81/96/1274088196.db2.gz VSRLAACTPQQDBX-ZIAGYGMSSA-N 1 1 325.250 2.871 20 10 EFCDMO C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2ccc(Br)cc2[O-])C1 ZINC000706059865 1274356487 /nfs/dbraw/zinc/35/64/87/1274356487.db2.gz PISHTJPETATOMV-LBPRGKRZSA-N 1 1 327.266 2.976 20 10 EFCDMO C[N@H+]1CCCC[C@@H](C[NH2+]Cc2ccc(Br)cc2[O-])C1 ZINC000706059865 1274356494 /nfs/dbraw/zinc/35/64/94/1274356494.db2.gz PISHTJPETATOMV-LBPRGKRZSA-N 1 1 327.266 2.976 20 10 EFCDMO COc1ccc(N(C)CC[N@@H+](C)C[C@@H](O)c2ccccc2F)cc1 ZINC000844400070 1278947914 /nfs/dbraw/zinc/94/79/14/1278947914.db2.gz VBGKDPBXONLOFD-LJQANCHMSA-N 1 1 332.419 2.936 20 10 EFCDMO COC(=O)c1ccc(C[N@@H+](C)CCN(C)c2ccc(OC)cc2)o1 ZINC000844399854 1278948049 /nfs/dbraw/zinc/94/80/49/1278948049.db2.gz QHWVMBQXMOGLJG-UHFFFAOYSA-N 1 1 332.400 2.643 20 10 EFCDMO Cc1ccnc(-c2n[nH]c([C@@H](C)[NH2+]Cc3cc(F)ccc3O)n2)c1 ZINC000787335739 1275748865 /nfs/dbraw/zinc/74/88/65/1275748865.db2.gz UTBKFZSDIQARPU-LLVKDONJSA-N 1 1 327.363 2.871 20 10 EFCDMO COCCN1CC[C@H]([NH2+][C@H](C)c2cccc(C(F)(F)F)c2O)C1 ZINC000788596304 1276235599 /nfs/dbraw/zinc/23/55/99/1276235599.db2.gz YRTSZRUWRDAHPM-NEPJUHHUSA-N 1 1 332.366 2.782 20 10 EFCDMO CCn1cnnc1CC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000788646805 1276238768 /nfs/dbraw/zinc/23/87/68/1276238768.db2.gz SFTBDFYYJVVOBR-JTQLQIEISA-N 1 1 328.338 2.916 20 10 EFCDMO C[C@H]([NH2+]CC1(N2CCOCC2)CC1)c1cccc(C(F)(F)F)c1O ZINC000788775453 1276322713 /nfs/dbraw/zinc/32/27/13/1276322713.db2.gz KTDGEFLYVZUGCL-LBPRGKRZSA-N 1 1 344.377 2.926 20 10 EFCDMO C[C@@H]1CN(c2ccccc2F)CC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000788785196 1276331192 /nfs/dbraw/zinc/33/11/92/1276331192.db2.gz WXAHNITULSHRPY-CYBMUJFWSA-N 1 1 344.386 2.971 20 10 EFCDMO CCN(CC)c1ccc(CN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000817890506 1276348314 /nfs/dbraw/zinc/34/83/14/1276348314.db2.gz YZHVCZPXTJJAGZ-VAMGGRTRSA-N 1 1 331.504 2.780 20 10 EFCDMO C[C@@H](N)[C@H](Cc1ccccc1)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000817893517 1276363133 /nfs/dbraw/zinc/36/31/33/1276363133.db2.gz GGRJAVDZMNCSJR-UTKZUKDTSA-N 1 1 339.483 2.571 20 10 EFCDMO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCc1ccc(N2CCOCC2)cc1 ZINC000817893517 1276363139 /nfs/dbraw/zinc/36/31/39/1276363139.db2.gz GGRJAVDZMNCSJR-UTKZUKDTSA-N 1 1 339.483 2.571 20 10 EFCDMO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCc1ccc(N2CCOCC2)cc1 ZINC000817895434 1276364760 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20 10 EFCDMO CCCC[C@@H]([NH2+]C[C@H]1CCN(c2ccc(OC)cc2)C1)C(=O)OC ZINC000818116446 1276467060 /nfs/dbraw/zinc/46/70/60/1276467060.db2.gz LDIWBVWCMQMQOS-CRAIPNDOSA-N 1 1 334.460 2.843 20 10 EFCDMO CCOc1cccc(C[NH2+][C@H](C)c2ncc(C(=O)OC)s2)c1O ZINC000818232280 1276495839 /nfs/dbraw/zinc/49/58/39/1276495839.db2.gz XXCHAJYBWBTCQE-SNVBAGLBSA-N 1 1 336.413 2.885 20 10 EFCDMO CCN1CC[C@H]([NH2+]C[C@H]2CCN(c3ccc(OC)cc3)C2)[C@@H](C)C1 ZINC000818344140 1276511669 /nfs/dbraw/zinc/51/16/69/1276511669.db2.gz JUARENPNVBUMOD-QKLQHJQFSA-N 1 1 331.504 2.841 20 10 EFCDMO C[C@]12CC[N@@H+](Cc3cc4c(cc3O)OC[C@@H]4O)C[C@H]1C2(Cl)Cl ZINC000789486466 1276747962 /nfs/dbraw/zinc/74/79/62/1276747962.db2.gz LUMXRLLBYLJUKA-CFVMTHIKSA-N 1 1 344.238 2.834 20 10 EFCDMO CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819583470 1276825304 /nfs/dbraw/zinc/82/53/04/1276825304.db2.gz WVVBDOSHLIXDCE-LPHOPBHVSA-N 1 1 345.487 2.512 20 10 EFCDMO CC(C)C[C@@]1(CO)CCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000789593785 1276871766 /nfs/dbraw/zinc/87/17/66/1276871766.db2.gz WCFYMVFSSJLZGR-OAQYLSRUSA-N 1 1 345.531 2.811 20 10 EFCDMO CC(C)C[C@@]1(CO)CCC[N@@H+]1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000789593785 1276871783 /nfs/dbraw/zinc/87/17/83/1276871783.db2.gz WCFYMVFSSJLZGR-OAQYLSRUSA-N 1 1 345.531 2.811 20 10 EFCDMO CC(C)C[C@@]1(CO)CCC[N@H+]1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000789593785 1276871796 /nfs/dbraw/zinc/87/17/96/1276871796.db2.gz WCFYMVFSSJLZGR-OAQYLSRUSA-N 1 1 345.531 2.811 20 10 EFCDMO Oc1cc2c(cc1C[N@H+]1CC3(CCC3)[C@H]1C1CCOCC1)OCO2 ZINC000819902509 1276941396 /nfs/dbraw/zinc/94/13/96/1276941396.db2.gz DVPPCMDMPDAQSM-GOSISDBHSA-N 1 1 331.412 2.902 20 10 EFCDMO CCN(CC)c1ccc(C[N@@H+](C)[C@@H](C)CN2CCOCC2)cc1F ZINC000789763149 1276971842 /nfs/dbraw/zinc/97/18/42/1276971842.db2.gz FOGLAWGYVBQOLI-INIZCTEOSA-N 1 1 337.483 2.824 20 10 EFCDMO CN(C)c1ccc(C[N@@H+](C)Cc2ccc3c(c2)NC(=O)CO3)cc1 ZINC000789743484 1276981537 /nfs/dbraw/zinc/98/15/37/1276981537.db2.gz BDDAUJCSFPYVHI-UHFFFAOYSA-N 1 1 325.412 2.716 20 10 EFCDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000820385336 1277141215 /nfs/dbraw/zinc/14/12/15/1277141215.db2.gz IYNLXXGBIULNAY-CYBMUJFWSA-N 1 1 331.420 2.653 20 10 EFCDMO CN(C)c1ccc(CNC(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)cc1 ZINC000790467802 1277608204 /nfs/dbraw/zinc/60/82/04/1277608204.db2.gz JJYMQGSNXLWXNO-KRWDZBQOSA-N 1 1 332.492 2.672 20 10 EFCDMO O=C(NC[C@@H]1CCC[N@H+]1CC1CCCCC1)c1cccc(O)c1O ZINC000790668049 1277707992 /nfs/dbraw/zinc/70/79/92/1277707992.db2.gz JJUMVNOWIQKCOB-HNNXBMFYSA-N 1 1 332.444 2.872 20 10 EFCDMO Cc1cc(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)ccc1N(C)C ZINC000815074258 1287300546 /nfs/dbraw/zinc/30/05/46/1287300546.db2.gz NMHVIFJRPRLKMO-MISYRCLQSA-N 1 1 331.504 2.745 20 10 EFCDMO COc1c(O)c(C[NH2+]C[C@H]2N(C)CCCC2(C)C)ccc1[N+](=O)[O-] ZINC000790927772 1277850266 /nfs/dbraw/zinc/85/02/66/1277850266.db2.gz NECSJACTKJZKLT-CQSZACIVSA-N 1 1 337.420 2.519 20 10 EFCDMO CC(C)(C)[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)CCO1 ZINC000790930873 1277853546 /nfs/dbraw/zinc/85/35/46/1277853546.db2.gz JOCQSQCHFDHXSF-SFHVURJKSA-N 1 1 336.451 2.909 20 10 EFCDMO CC(C)(C)[C@@H]1C[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)CCO1 ZINC000790930873 1277853548 /nfs/dbraw/zinc/85/35/48/1277853548.db2.gz JOCQSQCHFDHXSF-SFHVURJKSA-N 1 1 336.451 2.909 20 10 EFCDMO CC(C)(CNCc1ccc(N2CCOCC2)c(F)c1)C[NH+]1CCCC1 ZINC000791010208 1277905887 /nfs/dbraw/zinc/90/58/87/1277905887.db2.gz GEHYATDOQJGZJU-UHFFFAOYSA-N 1 1 349.494 2.874 20 10 EFCDMO OC[C@@H](C[C@H](O)c1ccccc1)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790983638 1277911330 /nfs/dbraw/zinc/91/13/30/1277911330.db2.gz RCAPRZSSGWLQKF-WBMJQRKESA-N 1 1 339.794 2.759 20 10 EFCDMO COc1ccc(CNC(=O)NCCCC[N@H+]2CCC[C@H](C)C2)c(O)c1 ZINC000792832500 1279190159 /nfs/dbraw/zinc/19/01/59/1279190159.db2.gz SUXKQONEDHWAJI-HNNXBMFYSA-N 1 1 349.475 2.712 20 10 EFCDMO COc1ccc(N(C)CC[N@@H+](C)Cc2cc3c(cc2O)OCO3)cc1 ZINC000844726283 1279202901 /nfs/dbraw/zinc/20/29/01/1279202901.db2.gz SLILZODOIBLUJL-UHFFFAOYSA-N 1 1 344.411 2.698 20 10 EFCDMO C[C@@H](CNC(=O)NCc1cc(Cl)ccc1O)[N@H+]1CCC[C@@H](C)C1 ZINC000844879928 1279312455 /nfs/dbraw/zinc/31/24/55/1279312455.db2.gz NPCIOVZGQHVNTM-OLZOCXBDSA-N 1 1 339.867 2.965 20 10 EFCDMO CCN(CC)c1ccc(CNC(=O)NCC[N@@H+]2CC=CCC2)cc1F ZINC000792994477 1279318471 /nfs/dbraw/zinc/31/84/71/1279318471.db2.gz FQQWBPGBZFMTMV-UHFFFAOYSA-N 1 1 348.466 2.733 20 10 EFCDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCc1cc(Cl)ccc1O ZINC000844914277 1279334801 /nfs/dbraw/zinc/33/48/01/1279334801.db2.gz GJXFZHBZCJRUDR-CHWSQXEVSA-N 1 1 339.867 2.965 20 10 EFCDMO C[N@@H+](CCNC(=O)NCc1cc(Cl)ccc1O)Cc1ccccc1 ZINC000844909718 1279358343 /nfs/dbraw/zinc/35/83/43/1279358343.db2.gz JBJVNABHDHHAJV-UHFFFAOYSA-N 1 1 347.846 2.977 20 10 EFCDMO CN(C)c1ccc(C[N@H+]2CC[C@@H](n3cncn3)C2)c(C(F)(F)F)c1 ZINC000793096750 1279375238 /nfs/dbraw/zinc/37/52/38/1279375238.db2.gz CLTBPYZKBXLBTG-CQSZACIVSA-N 1 1 339.365 2.810 20 10 EFCDMO COc1ccc(CNC(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)c(O)c1 ZINC000793106147 1279379578 /nfs/dbraw/zinc/37/95/78/1279379578.db2.gz GKQLBMWWSZBFQE-HNNXBMFYSA-N 1 1 349.475 2.568 20 10 EFCDMO Oc1cc(F)c(Br)cc1CN1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001144300128 1279388423 /nfs/dbraw/zinc/38/84/23/1279388423.db2.gz UKHQWTXMBHOBHM-GFCCVEGCSA-N 1 1 343.240 2.964 20 10 EFCDMO Oc1cc(F)c(Br)cc1CN1CCC[N@H+]2CCC[C@@H]2C1 ZINC001144300128 1279388431 /nfs/dbraw/zinc/38/84/31/1279388431.db2.gz UKHQWTXMBHOBHM-GFCCVEGCSA-N 1 1 343.240 2.964 20 10 EFCDMO C[NH+](C)C[C@@H]1CCCN1Cc1cc(Br)c(F)cc1O ZINC001144299710 1279388997 /nfs/dbraw/zinc/38/89/97/1279388997.db2.gz GYWLBHUFWRLEGH-NSHDSACASA-N 1 1 331.229 2.820 20 10 EFCDMO Oc1cc(F)c(Br)cc1CN1CCC[N@@H+]2CCC[C@H]2C1 ZINC001144300129 1279389246 /nfs/dbraw/zinc/38/92/46/1279389246.db2.gz UKHQWTXMBHOBHM-LBPRGKRZSA-N 1 1 343.240 2.964 20 10 EFCDMO Oc1cc(F)c(Br)cc1CN1CCC[N@H+]2CCC[C@H]2C1 ZINC001144300129 1279389253 /nfs/dbraw/zinc/38/92/53/1279389253.db2.gz UKHQWTXMBHOBHM-LBPRGKRZSA-N 1 1 343.240 2.964 20 10 EFCDMO Oc1cc(F)c(Br)cc1CN1CC[NH+]2CCC1CC2 ZINC001144306437 1279403976 /nfs/dbraw/zinc/40/39/76/1279403976.db2.gz BRBCBMGFAVZMQS-UHFFFAOYSA-N 1 1 329.213 2.574 20 10 EFCDMO CCOC1(C[NH2+]Cc2ccc(N3CCN(C)CC3)cc2)CCCC1 ZINC000815146497 1287348793 /nfs/dbraw/zinc/34/87/93/1287348793.db2.gz DQPRZRHGTJZTFK-UHFFFAOYSA-N 1 1 331.504 2.877 20 10 EFCDMO O=C(NCc1cc(Cl)ccc1O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000845151963 1279464932 /nfs/dbraw/zinc/46/49/32/1279464932.db2.gz IHABUORFSLNHDJ-HNNXBMFYSA-N 1 1 337.851 2.862 20 10 EFCDMO C[N@@H+](CCc1cccc(C(F)(F)F)n1)Cc1c(O)cc(O)cc1O ZINC001144500292 1279741679 /nfs/dbraw/zinc/74/16/79/1279741679.db2.gz QQMKHOUEFLQICA-UHFFFAOYSA-N 1 1 342.317 2.892 20 10 EFCDMO CC1(C)C[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)[C@H]1c1cccnc1 ZINC000793569107 1279752134 /nfs/dbraw/zinc/75/21/34/1279752134.db2.gz BSHHEVVVQCGVAT-WMZOPIPTSA-N 1 1 326.396 2.796 20 10 EFCDMO CC1(C)C[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)[C@H]1c1cccnc1 ZINC000793569107 1279752137 /nfs/dbraw/zinc/75/21/37/1279752137.db2.gz BSHHEVVVQCGVAT-WMZOPIPTSA-N 1 1 326.396 2.796 20 10 EFCDMO C[C@@H](O)CN1CC[N@@H+](Cc2cc(-c3ccccc3)ccc2O)[C@H](C)C1 ZINC000793589818 1279759656 /nfs/dbraw/zinc/75/96/56/1279759656.db2.gz MMUOLGOWOGAOLX-IAGOWNOFSA-N 1 1 340.467 2.946 20 10 EFCDMO C[C@@H](O)C[N@@H+]1CCN(Cc2cc(-c3ccccc3)ccc2O)[C@H](C)C1 ZINC000793589818 1279759664 /nfs/dbraw/zinc/75/96/64/1279759664.db2.gz MMUOLGOWOGAOLX-IAGOWNOFSA-N 1 1 340.467 2.946 20 10 EFCDMO C[C@@H](O)C[N@H+]1CCN(Cc2cc(-c3ccccc3)ccc2O)[C@H](C)C1 ZINC000793589818 1279759674 /nfs/dbraw/zinc/75/96/74/1279759674.db2.gz MMUOLGOWOGAOLX-IAGOWNOFSA-N 1 1 340.467 2.946 20 10 EFCDMO C[C@@H]1C[N@@H+](Cc2c(O)cc(O)cc2O)[C@H](C)CN1Cc1ccccc1 ZINC001144520372 1279762911 /nfs/dbraw/zinc/76/29/11/1279762911.db2.gz NIYTVFWLHTWJOV-HUUCEWRRSA-N 1 1 342.439 2.898 20 10 EFCDMO Oc1cc(O)c(C[N@H+]2C[C@H]3CCN(Cc4ccccc4)[C@@H]3C2)c(O)c1 ZINC001144509193 1279769230 /nfs/dbraw/zinc/76/92/30/1279769230.db2.gz ONJZSFFQLAJXRY-CRAIPNDOSA-N 1 1 340.423 2.510 20 10 EFCDMO Oc1cc(O)c(C[N@@H+]2CCc3ncc(C(F)(F)F)cc3C2)c(O)c1 ZINC001144509064 1279769433 /nfs/dbraw/zinc/76/94/33/1279769433.db2.gz JTGWMFZFYLELSM-UHFFFAOYSA-N 1 1 340.301 2.776 20 10 EFCDMO Oc1cc(O)c(C[N@H+]2CCc3ncc(C(F)(F)F)cc3C2)c(O)c1 ZINC001144509064 1279769438 /nfs/dbraw/zinc/76/94/38/1279769438.db2.gz JTGWMFZFYLELSM-UHFFFAOYSA-N 1 1 340.301 2.776 20 10 EFCDMO CC(C)c1noc([C@H]2CCC[N@@H+](Cc3c(O)cc(O)cc3O)C2)n1 ZINC001144514678 1279774346 /nfs/dbraw/zinc/77/43/46/1279774346.db2.gz ONRJKZGVAFSXNC-NSHDSACASA-N 1 1 333.388 2.689 20 10 EFCDMO CCCc1noc([C@H]2CCC[N@@H+](Cc3c(O)cc(O)cc3O)C2)n1 ZINC001144514746 1279774434 /nfs/dbraw/zinc/77/44/34/1279774434.db2.gz QQFRSRHIAXUOHG-NSHDSACASA-N 1 1 333.388 2.519 20 10 EFCDMO C[C@]1(c2ccc(F)cc2)C[N@@H+](Cc2c(O)cc(O)cc2O)CCO1 ZINC001144514763 1279774753 /nfs/dbraw/zinc/77/47/53/1279774753.db2.gz RGRGCGLJTGLZRG-GOSISDBHSA-N 1 1 333.359 2.690 20 10 EFCDMO Oc1cc(O)c(C[N@H+]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)c(O)c1 ZINC001144516397 1279778889 /nfs/dbraw/zinc/77/88/89/1279778889.db2.gz XPZMNUGPBVGVSQ-QAPCUYQASA-N 1 1 340.423 2.510 20 10 EFCDMO Cc1cc(O)c(C[N@H+]2CC[C@@H](CS(C)(=O)=O)C2)cc1C(C)C ZINC000793695647 1279830740 /nfs/dbraw/zinc/83/07/40/1279830740.db2.gz JAOJCZLQZYRFHT-CQSZACIVSA-N 1 1 325.474 2.691 20 10 EFCDMO C[C@H]1CN(c2cccc(F)c2)CC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000793734700 1279849945 /nfs/dbraw/zinc/84/99/45/1279849945.db2.gz YCSZRCVYSJYKNO-ZDUSSCGKSA-N 1 1 344.386 2.971 20 10 EFCDMO C[C@H]1C[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)Cc2ccccc2O1 ZINC000793779075 1279892428 /nfs/dbraw/zinc/89/24/28/1279892428.db2.gz GQOHIYDPKGSJKD-SJCJKPOMSA-N 1 1 327.380 2.601 20 10 EFCDMO C[N@H+](Cc1ncn2ccccc12)Cc1ccc(N2CCOCC2)cc1 ZINC001144622875 1279927681 /nfs/dbraw/zinc/92/76/81/1279927681.db2.gz OYDWGFYSDLLGKC-UHFFFAOYSA-N 1 1 336.439 2.803 20 10 EFCDMO C[N@@H+](Cc1ncn2ccccc12)Cc1ccc(N2CCOCC2)cc1 ZINC001144622875 1279927687 /nfs/dbraw/zinc/92/76/87/1279927687.db2.gz OYDWGFYSDLLGKC-UHFFFAOYSA-N 1 1 336.439 2.803 20 10 EFCDMO CN(Cc1[nH+]cn2ccccc12)Cc1ccc(N2CCOCC2)cc1 ZINC001144622875 1279927694 /nfs/dbraw/zinc/92/76/94/1279927694.db2.gz OYDWGFYSDLLGKC-UHFFFAOYSA-N 1 1 336.439 2.803 20 10 EFCDMO Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@H](C)c1ccc(N(C)C)cc1)CC2 ZINC000845957803 1279933218 /nfs/dbraw/zinc/93/32/18/1279933218.db2.gz SHSQOLKBGCIUSM-CJNGLKHVSA-N 1 1 326.444 2.697 20 10 EFCDMO Cc1ccc(O)c(C[N@H+]2Cc3ccccc3C[C@@H]2C(=O)NC2CC2)c1 ZINC000845999788 1279968806 /nfs/dbraw/zinc/96/88/06/1279968806.db2.gz LWIPYXOHRIHXSF-LJQANCHMSA-N 1 1 336.435 2.906 20 10 EFCDMO COc1ccc(N2CC[NH+]([C@@H](C)c3cccnc3)CC2)c(OC)c1 ZINC000846748609 1280474072 /nfs/dbraw/zinc/47/40/72/1280474072.db2.gz CFVRFEJGXBTSAK-HNNXBMFYSA-N 1 1 327.428 2.982 20 10 EFCDMO C[C@H](CNC(=O)NCc1cc(Cl)cc(Cl)c1O)[N@H+](C)C1CC1 ZINC000805187812 1280474724 /nfs/dbraw/zinc/47/47/24/1280474724.db2.gz WTXNSWOJESGNBB-SECBINFHSA-N 1 1 346.258 2.981 20 10 EFCDMO C[C@H](CNC(=O)NCc1cc(Cl)cc(Cl)c1O)[N@@H+](C)C1CC1 ZINC000805187812 1280474728 /nfs/dbraw/zinc/47/47/28/1280474728.db2.gz WTXNSWOJESGNBB-SECBINFHSA-N 1 1 346.258 2.981 20 10 EFCDMO C[C@@H]1C[C@@H](NC(=O)NCc2cc(Cl)cc(Cl)c2O)CC[N@@H+]1C ZINC000805187747 1280474931 /nfs/dbraw/zinc/47/49/31/1280474931.db2.gz VKTGYVZZCPRCHF-SKDRFNHKSA-N 1 1 346.258 2.981 20 10 EFCDMO C[C@@H]1C[C@@H](NC(=O)NCc2cc(Cl)cc(Cl)c2O)CC[N@H+]1C ZINC000805187747 1280474938 /nfs/dbraw/zinc/47/49/38/1280474938.db2.gz VKTGYVZZCPRCHF-SKDRFNHKSA-N 1 1 346.258 2.981 20 10 EFCDMO COc1ccc(N2CCC[N@@H+](Cc3ccc4nonc4c3)CC2)cc1 ZINC000846778581 1280481200 /nfs/dbraw/zinc/48/12/00/1280481200.db2.gz XLIWCIYDRDQGOJ-UHFFFAOYSA-N 1 1 338.411 2.944 20 10 EFCDMO COc1ccc(N2CCC[N@@H+](CCCc3cncn3C)CC2)cc1 ZINC000846778435 1280481231 /nfs/dbraw/zinc/48/12/31/1280481231.db2.gz WAWJDVSCJJTJPZ-UHFFFAOYSA-N 1 1 328.460 2.574 20 10 EFCDMO Cn1cncc1CCC[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000846823872 1280519311 /nfs/dbraw/zinc/51/93/11/1280519311.db2.gz BDAINUYGODCPBC-SFHVURJKSA-N 1 1 329.444 2.740 20 10 EFCDMO COC1CCN(c2ccc(C[N@H+]3CCN(C)C(C)(C)C3)cc2)CC1 ZINC000846888505 1280603225 /nfs/dbraw/zinc/60/32/25/1280603225.db2.gz IVYOJFDHQSENAJ-UHFFFAOYSA-N 1 1 331.504 2.828 20 10 EFCDMO COC1CCN(c2ccc(CN3CC[N@H+](C)C(C)(C)C3)cc2)CC1 ZINC000846888505 1280603233 /nfs/dbraw/zinc/60/32/33/1280603233.db2.gz IVYOJFDHQSENAJ-UHFFFAOYSA-N 1 1 331.504 2.828 20 10 EFCDMO COC1CCN(c2ccc(CN3CC[N@@H+](C)C(C)(C)C3)cc2)CC1 ZINC000846888505 1280603246 /nfs/dbraw/zinc/60/32/46/1280603246.db2.gz IVYOJFDHQSENAJ-UHFFFAOYSA-N 1 1 331.504 2.828 20 10 EFCDMO CCC[N@H+]1CCC[C@H]1CNC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000807551106 1281346702 /nfs/dbraw/zinc/34/67/02/1281346702.db2.gz ZQFZLNWHGKAZAT-SFHVURJKSA-N 1 1 332.492 2.768 20 10 EFCDMO O=C(c1cccc(O)c1O)N1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001148214776 1281454559 /nfs/dbraw/zinc/45/45/59/1281454559.db2.gz XAGHTEZRMQSCCV-UHFFFAOYSA-N 1 1 330.428 2.578 20 10 EFCDMO CN1CC[C@H]([N@@H+](C)Cc2ccc3c(c2)CCN3Cc2ccccc2)C1=O ZINC000809580285 1282296499 /nfs/dbraw/zinc/29/64/99/1282296499.db2.gz MJNQKKOGWYALSJ-NRFANRHFSA-N 1 1 349.478 2.912 20 10 EFCDMO COc1cc(Br)cc(C[N@@H+](C)[C@@H]2CCCOC2)c1O ZINC000809692713 1282380595 /nfs/dbraw/zinc/38/05/95/1282380595.db2.gz FJIBVVYURMTVRI-GFCCVEGCSA-N 1 1 330.222 2.774 20 10 EFCDMO COc1c(O)c(C[NH2+][C@H](C)[C@@H](O)c2ccc(C)cc2)ccc1[N+](=O)[O-] ZINC000809701873 1282414883 /nfs/dbraw/zinc/41/48/83/1282414883.db2.gz NFGCTWPZDPHYOE-MLGOLLRUSA-N 1 1 346.383 2.829 20 10 EFCDMO Cc1cc(Br)c(O)c(C[N@@H+](C)[C@@H](CO)COC(C)C)c1 ZINC000809768941 1282430813 /nfs/dbraw/zinc/43/08/13/1282430813.db2.gz YXOKSDWQUVQSOD-ZDUSSCGKSA-N 1 1 346.265 2.681 20 10 EFCDMO Cc1cc(Br)c(O)c(C[N@H+](C)[C@@H](CO)COC(C)C)c1 ZINC000809768941 1282430818 /nfs/dbraw/zinc/43/08/18/1282430818.db2.gz YXOKSDWQUVQSOD-ZDUSSCGKSA-N 1 1 346.265 2.681 20 10 EFCDMO CN(C)C(=O)OC[C@@H]1CCCC[N@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000809708922 1282420933 /nfs/dbraw/zinc/42/09/33/1282420933.db2.gz KVKYIGQDHQSEQW-HNNXBMFYSA-N 1 1 337.439 2.944 20 10 EFCDMO C[N@H+](Cc1cc(Br)ccc1O)C[C@@H](O)C(F)(F)F ZINC000809750817 1282455697 /nfs/dbraw/zinc/45/56/97/1282455697.db2.gz JEVVJXDESGIBTM-SNVBAGLBSA-N 1 1 328.128 2.510 20 10 EFCDMO C[C@@H]1CC(=O)NCC[N@H+]1Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000809765349 1282465287 /nfs/dbraw/zinc/46/52/87/1282465287.db2.gz OEDRNCBDQJFVBN-QGZVFWFLSA-N 1 1 349.478 2.960 20 10 EFCDMO CN(CCC[N@@H+](C)Cc1cc(Cl)cc(F)c1[O-])CC[NH+](C)C ZINC000809787363 1282483180 /nfs/dbraw/zinc/48/31/80/1282483180.db2.gz AELNHXBDOJPGDR-UHFFFAOYSA-N 1 1 331.863 2.500 20 10 EFCDMO CCCC[C@@H](C)[N@@H+](C)Cc1cc(=O)n2ncc(C(=O)OCC)c2[nH]1 ZINC000810125546 1282908799 /nfs/dbraw/zinc/90/87/99/1282908799.db2.gz YPMQGOMIHNPNII-GFCCVEGCSA-N 1 1 334.420 2.622 20 10 EFCDMO CCCCC[N@H+]1C[C@@H](NC(=O)c2cc(OC)nc(OC)c2)CC[C@H]1C ZINC001132157282 1283061413 /nfs/dbraw/zinc/06/14/13/1283061413.db2.gz NIQCCOWIFAVDTM-ZBFHGGJFSA-N 1 1 349.475 2.872 20 10 EFCDMO C[C@H]([NH2+]C[C@@H](O)C1CCOCC1)c1cccc(C(F)(F)F)c1O ZINC000815594501 1287619135 /nfs/dbraw/zinc/61/91/35/1287619135.db2.gz QHKODEBXNWAQTR-IINYFYTJSA-N 1 1 333.350 2.849 20 10 EFCDMO CCS(=O)(=O)C[C@@H](C)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000815592727 1287619339 /nfs/dbraw/zinc/61/93/39/1287619339.db2.gz QMNXWHDVBIJSPN-NXEZZACHSA-N 1 1 339.379 2.885 20 10 EFCDMO C[C@H]([NH2+][C@@H]1CC(=O)N(C2CC2)C1)c1cccc(C(F)(F)F)c1O ZINC000815595562 1287621533 /nfs/dbraw/zinc/62/15/33/1287621533.db2.gz VIBNRAXZLOXMPF-VHSXEESVSA-N 1 1 328.334 2.825 20 10 EFCDMO CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000815600154 1287625249 /nfs/dbraw/zinc/62/52/49/1287625249.db2.gz NCJDFHYWTBCRCX-IRUJWGPZSA-N 1 1 330.350 2.976 20 10 EFCDMO C[C@@H]([NH2+]CC1(CO)CCOCC1)c1cccc(C(F)(F)F)c1O ZINC000815598293 1287626341 /nfs/dbraw/zinc/62/63/41/1287626341.db2.gz QSQPCUAVPNVSHC-LLVKDONJSA-N 1 1 333.350 2.851 20 10 EFCDMO Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C2 ZINC000811186729 1284096897 /nfs/dbraw/zinc/09/68/97/1284096897.db2.gz WKLKXJBSAXRJDP-BBRMVZONSA-N 1 1 326.444 2.697 20 10 EFCDMO CC[NH+]1CCC([NH2+]Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000715791312 1284331280 /nfs/dbraw/zinc/33/12/80/1284331280.db2.gz HDQLXMXFUUJSPS-UHFFFAOYSA-N 1 1 331.229 2.868 20 10 EFCDMO Cc1cnn([C@H]2CC[N@@H+](Cc3ccc(N4CCOCC4)c(F)c3)C2)c1 ZINC000811521027 1284372234 /nfs/dbraw/zinc/37/22/34/1284372234.db2.gz XJDVXTGAAVDEKE-KRWDZBQOSA-N 1 1 344.434 2.614 20 10 EFCDMO CC(C)[N@H+](C)C[C@H](C)NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000811863954 1284701955 /nfs/dbraw/zinc/70/19/55/1284701955.db2.gz HLYYFVVYIIKQII-INIZCTEOSA-N 1 1 332.492 2.815 20 10 EFCDMO CC(C)[N@H+](C)C[C@H](C)NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000811884340 1284728635 /nfs/dbraw/zinc/72/86/35/1284728635.db2.gz DKYXHRMWSVBSJC-INIZCTEOSA-N 1 1 330.476 2.591 20 10 EFCDMO CC(C)[N@H+](C)C[C@@H](C)NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000811954569 1284746750 /nfs/dbraw/zinc/74/67/50/1284746750.db2.gz VUWLRLQIZMCHCF-OAHLLOKOSA-N 1 1 332.492 2.597 20 10 EFCDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000811971584 1284787330 /nfs/dbraw/zinc/78/73/30/1284787330.db2.gz CSIRKQIQPPQOJX-KGLIPLIRSA-N 1 1 337.464 2.881 20 10 EFCDMO Cc1cc(N(C)C)ccc1CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000812512268 1285205082 /nfs/dbraw/zinc/20/50/82/1285205082.db2.gz STYSOHOQUJTAMJ-UHFFFAOYSA-N 1 1 342.443 2.575 20 10 EFCDMO CCC[N@H+]1CC[C@H]2CN(C(=O)c3ccc(N=NC(N)=O)cc3)CC[C@@H]21 ZINC001036905345 1285401583 /nfs/dbraw/zinc/40/15/83/1285401583.db2.gz IEUYGCIKZYITIB-HOCLYGCPSA-N 1 1 343.431 2.795 20 10 EFCDMO COc1cccc(O)c1CNc1cccc(C[N@H+]2CC[C@@H](O)C2)c1 ZINC000812776276 1285410543 /nfs/dbraw/zinc/41/05/43/1285410543.db2.gz BHEPVFGOEUOIBH-MRXNPFEDSA-N 1 1 328.412 2.580 20 10 EFCDMO COc1cccc(CNc2cccc(C[N@H+]3CC[C@@H](O)C3)c2)c1O ZINC000812778096 1285411973 /nfs/dbraw/zinc/41/19/73/1285411973.db2.gz GODFVJYDGDBGPX-QGZVFWFLSA-N 1 1 328.412 2.580 20 10 EFCDMO COc1cc(O)c(C[N@@H+](C)C[C@](C)(O)c2ccccc2)cc1OC ZINC000822515474 1289022450 /nfs/dbraw/zinc/02/24/50/1289022450.db2.gz BDVYHPAXHIQGKW-IBGZPJMESA-N 1 1 331.412 2.749 20 10 EFCDMO CN1CCN(c2ccc(C[NH2+][C@@H]3Cc4cccc(F)c4C3)cc2)CC1 ZINC001171774452 1285779413 /nfs/dbraw/zinc/77/94/13/1285779413.db2.gz AEBYMTPRMOPVFL-GOSISDBHSA-N 1 1 339.458 2.835 20 10 EFCDMO Cc1cnc(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)o1 ZINC000813811241 1286137661 /nfs/dbraw/zinc/13/76/61/1286137661.db2.gz VGTWXFLQQUMFDZ-CQSZACIVSA-N 1 1 349.818 2.736 20 10 EFCDMO Cc1cnc(C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)o1 ZINC000813811241 1286137664 /nfs/dbraw/zinc/13/76/64/1286137664.db2.gz VGTWXFLQQUMFDZ-CQSZACIVSA-N 1 1 349.818 2.736 20 10 EFCDMO COC(=O)[C@H]1CCC[C@@H]([N@H+]2CCCc3cc(O)c(O)cc3C2)CC1 ZINC001172806794 1286285188 /nfs/dbraw/zinc/28/51/88/1286285188.db2.gz KESAVTKGSLTORT-XJKSGUPXSA-N 1 1 333.428 2.968 20 10 EFCDMO COc1cccc2c1C[C@@H]([N@H+]1CCCc3cc(O)c(O)cc3C1)CO2 ZINC001173167894 1286464745 /nfs/dbraw/zinc/46/47/45/1286464745.db2.gz LRJIBHHJURVAID-OAHLLOKOSA-N 1 1 341.407 2.858 20 10 EFCDMO Cn1ncc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)c1Cl ZINC000816480895 1288152919 /nfs/dbraw/zinc/15/29/19/1288152919.db2.gz AJXUWYMDRDATLW-HNNXBMFYSA-N 1 1 335.835 2.960 20 10 EFCDMO Cn1ncc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)c1Cl ZINC000816480895 1288152923 /nfs/dbraw/zinc/15/29/23/1288152923.db2.gz AJXUWYMDRDATLW-HNNXBMFYSA-N 1 1 335.835 2.960 20 10 EFCDMO COc1ccc(N2CCC[N@H+](Cc3cnn(C)c3Cl)CC2)cc1 ZINC000816494970 1288163324 /nfs/dbraw/zinc/16/33/24/1288163324.db2.gz GHUPZQMZOJMJIR-UHFFFAOYSA-N 1 1 334.851 2.794 20 10 EFCDMO COc1ccc(N2CCC[N@@H+](Cc3cnn(C)c3Cl)CC2)cc1 ZINC000816494970 1288163328 /nfs/dbraw/zinc/16/33/28/1288163328.db2.gz GHUPZQMZOJMJIR-UHFFFAOYSA-N 1 1 334.851 2.794 20 10 EFCDMO CC(C)OCCOC[C@H](O)C[N@@H+](C)Cc1ccc2ccccc2c1O ZINC000816496301 1288163563 /nfs/dbraw/zinc/16/35/63/1288163563.db2.gz DRKAYCZARBVPTJ-GOSISDBHSA-N 1 1 347.455 2.780 20 10 EFCDMO COC(=O)CC[N@@H+](Cc1cc(Cl)c(F)cc1O)C[C@H]1CCCO1 ZINC000816513568 1288183885 /nfs/dbraw/zinc/18/38/85/1288183885.db2.gz UXUHEYMTTBPFQJ-GFCCVEGCSA-N 1 1 345.798 2.729 20 10 EFCDMO COC(=O)CC[N@H+](Cc1cc(Cl)c(F)cc1O)C[C@H]1CCCO1 ZINC000816513568 1288183889 /nfs/dbraw/zinc/18/38/89/1288183889.db2.gz UXUHEYMTTBPFQJ-GFCCVEGCSA-N 1 1 345.798 2.729 20 10 EFCDMO Oc1cc(F)c(Cl)cc1C[NH+]1CCC(O[C@H]2CCOC2)CC1 ZINC000816517630 1288188321 /nfs/dbraw/zinc/18/83/21/1288188321.db2.gz XLIVXBYWHUIYQP-ZDUSSCGKSA-N 1 1 329.799 2.955 20 10 EFCDMO CC(C)[C@H](C[NH2+]Cc1ccc2ccccc2c1O)N1CCN(C)CC1 ZINC000816534273 1288193552 /nfs/dbraw/zinc/19/35/52/1288193552.db2.gz CSWXMPWFSFUTGH-FQEVSTJZSA-N 1 1 341.499 2.907 20 10 EFCDMO CN1CC[NH+](CCCC[NH2+]Cc2ccc3ccccc3c2[O-])CC1 ZINC000816535674 1288196232 /nfs/dbraw/zinc/19/62/32/1288196232.db2.gz WJDIHCNWOKRYSO-UHFFFAOYSA-N 1 1 327.472 2.663 20 10 EFCDMO O=C(NCC[NH2+]Cc1cc(Cl)c(F)cc1O)c1ccc(F)cc1 ZINC000816538121 1288196328 /nfs/dbraw/zinc/19/63/28/1288196328.db2.gz GYIGCZDGQHSQTE-UHFFFAOYSA-N 1 1 340.757 2.843 20 10 EFCDMO Oc1cc(F)c(Cl)cc1C[NH2+][C@H]1CCCC[C@@H]1N1CCOCC1 ZINC000816557396 1288211114 /nfs/dbraw/zinc/21/11/14/1288211114.db2.gz ONCMTPKLDIFWFH-HOTGVXAUSA-N 1 1 342.842 2.918 20 10 EFCDMO COc1c(O)c(C[N@@H+]2CC3(CCOCC3)[C@@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000816656077 1288230384 /nfs/dbraw/zinc/23/03/84/1288230384.db2.gz DMGZRUBFBNOWLA-KRWDZBQOSA-N 1 1 348.399 2.700 20 10 EFCDMO COc1c(O)c(C[N@H+]2CC3(CCOCC3)[C@@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000816656077 1288230392 /nfs/dbraw/zinc/23/03/92/1288230392.db2.gz DMGZRUBFBNOWLA-KRWDZBQOSA-N 1 1 348.399 2.700 20 10 EFCDMO CC(C)[C@]1(CO)CCC[N@H+](Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000816662283 1288234909 /nfs/dbraw/zinc/23/49/09/1288234909.db2.gz LQDZOWGIZPCPSQ-OAQYLSRUSA-N 1 1 345.531 2.669 20 10 EFCDMO CC(C)[C@]1(CO)CCC[N@@H+](Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000816662283 1288234911 /nfs/dbraw/zinc/23/49/11/1288234911.db2.gz LQDZOWGIZPCPSQ-OAQYLSRUSA-N 1 1 345.531 2.669 20 10 EFCDMO COc1cc(Br)cc(C[N@H+]2CCC[C@H](O)CC2)c1O ZINC000816667457 1288236327 /nfs/dbraw/zinc/23/63/27/1288236327.db2.gz NTLHOUBCGNGOKS-LBPRGKRZSA-N 1 1 330.222 2.510 20 10 EFCDMO C[NH+]1CCN(c2ccc(CN3C[C@@]4(CCCO4)[C@@H]3C3CC3)cc2)CC1 ZINC000816666294 1288236484 /nfs/dbraw/zinc/23/64/84/1288236484.db2.gz JLXQTSPBEXLLCR-SFTDATJTSA-N 1 1 341.499 2.582 20 10 EFCDMO Cc1[nH+]cc2n1C[C@H](C(=O)NCc1c(O)ccc3c1CCCC3)CC2 ZINC000816938961 1288348029 /nfs/dbraw/zinc/34/80/29/1288348029.db2.gz PDPZOFGBECXJCB-OAHLLOKOSA-N 1 1 339.439 2.655 20 10 EFCDMO CN(Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc2c(c1)OCO2 ZINC000817276156 1288520468 /nfs/dbraw/zinc/52/04/68/1288520468.db2.gz SSXUZWFSQKSWNV-UHFFFAOYSA-N 1 1 340.423 2.884 20 10 EFCDMO Oc1cc2c(cc1C[N@H+]1CCC[C@H](CC(F)(F)F)C1)[C@@H](O)CO2 ZINC000817365478 1288579167 /nfs/dbraw/zinc/57/91/67/1288579167.db2.gz UDNPCIWEMZUGOH-YGRLFVJLSA-N 1 1 331.334 2.982 20 10 EFCDMO C[N@H+]1CCCC[C@H]1C(=O)NCc1cc(Cl)c2cccnc2c1O ZINC001178701852 1288877546 /nfs/dbraw/zinc/87/75/46/1288877546.db2.gz PEHKLSICYRAPSK-AWEZNQCLSA-N 1 1 333.819 2.694 20 10 EFCDMO CCC[N@H+]1CC[C@@H](NC(=O)N(CC)Cc2ccc(N(C)C)cc2)C1 ZINC000823054502 1289189769 /nfs/dbraw/zinc/18/97/69/1289189769.db2.gz SBUHEAVKZUZRDA-QGZVFWFLSA-N 1 1 332.492 2.768 20 10 EFCDMO CC[C@H]1CN(C)CC[N@H+]1Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000823189835 1289230197 /nfs/dbraw/zinc/23/01/97/1289230197.db2.gz SCSJZTOWLQTIJM-SFHVURJKSA-N 1 1 331.504 2.828 20 10 EFCDMO CC[C@H]1C[N@H+](C)CCN1Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000823189835 1289230203 /nfs/dbraw/zinc/23/02/03/1289230203.db2.gz SCSJZTOWLQTIJM-SFHVURJKSA-N 1 1 331.504 2.828 20 10 EFCDMO CC[C@H]1C[N@@H+](C)CCN1Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000823189835 1289230208 /nfs/dbraw/zinc/23/02/08/1289230208.db2.gz SCSJZTOWLQTIJM-SFHVURJKSA-N 1 1 331.504 2.828 20 10 EFCDMO C[C@@H]1C[C@H]([NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)c2nccn21 ZINC000903447865 1312693808 /nfs/dbraw/zinc/69/38/08/1312693808.db2.gz DPFRXDUYPJYSRS-FHLIZLRMSA-N 1 1 327.476 2.847 20 10 EFCDMO COC(=O)c1c(C[N@H+]2CC[C@]3(CCCO3)C2)c2ccccc2n1C ZINC001232401973 1312694288 /nfs/dbraw/zinc/69/42/88/1312694288.db2.gz HFVWGBRFOVDGEJ-LJQANCHMSA-N 1 1 328.412 2.720 20 10 EFCDMO COC(=O)c1c(C[NH+]2CC3(C2)C[C@@H](F)CS3)c2ccccc2n1C ZINC001232405210 1312694847 /nfs/dbraw/zinc/69/48/47/1312694847.db2.gz IGJROQCKVXUBME-GFCCVEGCSA-N 1 1 348.443 2.994 20 10 EFCDMO COC(=O)c1c(C[N@H+]2CCC[C@@H](C(C)=O)C2)c2ccccc2n1C ZINC001232405176 1312694947 /nfs/dbraw/zinc/69/49/47/1312694947.db2.gz HQLWHWMSHNVJPT-CQSZACIVSA-N 1 1 328.412 2.766 20 10 EFCDMO COC(=O)c1c(C[N@H+]2CCC[C@@]23CCOC3)c2ccccc2n1C ZINC001232403629 1312695033 /nfs/dbraw/zinc/69/50/33/1312695033.db2.gz AEDIGLIBSPPNIU-IBGZPJMESA-N 1 1 328.412 2.720 20 10 EFCDMO C[C@@H]([NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1cc2n(n1)CCC2 ZINC000903449206 1312695596 /nfs/dbraw/zinc/69/55/96/1312695596.db2.gz WQJOCYIIENQOST-QRWLVFNGSA-N 1 1 341.503 2.849 20 10 EFCDMO COC(=O)c1c(C[N@@H+]2CCOC[C@H]2C(C)C)c2ccccc2n1C ZINC001232406362 1312695984 /nfs/dbraw/zinc/69/59/84/1312695984.db2.gz VCYTVCQTCUWCPK-KRWDZBQOSA-N 1 1 330.428 2.822 20 10 EFCDMO COC(=O)c1c(C[N@H+]2CCOC[C@H]2C(C)C)c2ccccc2n1C ZINC001232406362 1312695987 /nfs/dbraw/zinc/69/59/87/1312695987.db2.gz VCYTVCQTCUWCPK-KRWDZBQOSA-N 1 1 330.428 2.822 20 10 EFCDMO COC(=O)c1c(C[N@H+]2CCC[C@@H](CCO)C2)c2ccccc2n1C ZINC001232405757 1312696039 /nfs/dbraw/zinc/69/60/39/1312696039.db2.gz PRTANRXUQHDJCL-AWEZNQCLSA-N 1 1 330.428 2.559 20 10 EFCDMO Cc1cc(O)c(C[N@@H+]2CC[C@@](C)(NC(=O)C(F)(F)F)C2)cc1C ZINC000872755561 1289361781 /nfs/dbraw/zinc/36/17/81/1289361781.db2.gz LPKIASAGOMMQJI-OAHLLOKOSA-N 1 1 330.350 2.652 20 10 EFCDMO Cc1cc(O)c(C[N@H+]2CC[C@@](C)(NC(=O)C(F)(F)F)C2)cc1C ZINC000872755561 1289361789 /nfs/dbraw/zinc/36/17/89/1289361789.db2.gz LPKIASAGOMMQJI-OAHLLOKOSA-N 1 1 330.350 2.652 20 10 EFCDMO CCN1CCN(c2ccc(C[NH2+][C@H]3CSC[C@@H]3C)cc2F)CC1 ZINC000823801484 1289462958 /nfs/dbraw/zinc/46/29/58/1289462958.db2.gz GOQCKVVYMGVKLH-YOEHRIQHSA-N 1 1 337.508 2.809 20 10 EFCDMO COc1ccc(C[NH2+][C@H]2CCN3CCCC[C@@H]23)cc1Cn1cccn1 ZINC000873014275 1289518816 /nfs/dbraw/zinc/51/88/16/1289518816.db2.gz NKPQWBLZZADTFN-OALUTQOASA-N 1 1 340.471 2.656 20 10 EFCDMO COc1ccc(CNC[C@@H](C)C[NH+]2CCCC2)cc1Cn1cccn1 ZINC000873015944 1289520446 /nfs/dbraw/zinc/52/04/46/1289520446.db2.gz CJXJLZDTUPVSED-QGZVFWFLSA-N 1 1 342.487 2.762 20 10 EFCDMO COc1ccc(CNC[C@H](C)C[NH+]2CCCC2)cc1Cn1cccn1 ZINC000873015943 1289521504 /nfs/dbraw/zinc/52/15/04/1289521504.db2.gz CJXJLZDTUPVSED-KRWDZBQOSA-N 1 1 342.487 2.762 20 10 EFCDMO CCC[N@@H+]1CC[C@@H](CNCc2ccc(OC)c(Cn3cccn3)c2)C1 ZINC000873020648 1289524347 /nfs/dbraw/zinc/52/43/47/1289524347.db2.gz YZPOEKXLIARZDK-SFHVURJKSA-N 1 1 342.487 2.762 20 10 EFCDMO CCC[N@H+]1CC[C@@H](CNCc2ccc(OC)c(Cn3cccn3)c2)C1 ZINC000873020648 1289524354 /nfs/dbraw/zinc/52/43/54/1289524354.db2.gz YZPOEKXLIARZDK-SFHVURJKSA-N 1 1 342.487 2.762 20 10 EFCDMO COc1ccc(C[NH2+]Cc2nccn2C(F)F)cc1Cn1cccn1 ZINC000873027824 1289528417 /nfs/dbraw/zinc/52/84/17/1289528417.db2.gz QSDPOCKWRWLHJA-UHFFFAOYSA-N 1 1 347.369 2.821 20 10 EFCDMO CN(Cc1ccccc1O)C(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000824167611 1289559086 /nfs/dbraw/zinc/55/90/86/1289559086.db2.gz UUXRCOSGLWMTSA-GOSISDBHSA-N 1 1 339.439 2.808 20 10 EFCDMO CCCOc1ccc(C[NH2+][C@@H](C)CCN2CCN(C)CC2)cc1C ZINC000873107356 1289570362 /nfs/dbraw/zinc/57/03/62/1289570362.db2.gz OWNJCLKJMKXPOS-SFHVURJKSA-N 1 1 333.520 2.899 20 10 EFCDMO CCCOc1ccc(C[NH2+][C@H](C)CCN2CCN(C)CC2)cc1C ZINC000873107355 1289570765 /nfs/dbraw/zinc/57/07/65/1289570765.db2.gz OWNJCLKJMKXPOS-GOSISDBHSA-N 1 1 333.520 2.899 20 10 EFCDMO COc1ccc(C[NH2+][C@@H]2C[C@@H](C)n3ccnc32)cc1Cn1cccn1 ZINC000873128912 1289585109 /nfs/dbraw/zinc/58/51/09/1289585109.db2.gz BPZLXMJUOBUEGO-RHSMWYFYSA-N 1 1 337.427 2.932 20 10 EFCDMO COc1ccc(C[NH2+][C@H](C)c2ccn(C)n2)cc1Cn1cccn1 ZINC000873131248 1289588059 /nfs/dbraw/zinc/58/80/59/1289588059.db2.gz QDJKADHPYVCYEG-CQSZACIVSA-N 1 1 325.416 2.524 20 10 EFCDMO COc1cc(C[N@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)c(O)c(C(C)(C)C)c1 ZINC000825658726 1289602171 /nfs/dbraw/zinc/60/21/71/1289602171.db2.gz SGOUNMDZSCJTDN-XGWLTEMNSA-N 1 1 346.471 2.784 20 10 EFCDMO COc1cc(C[N@@H+](CC(N)=O)C2CCCC2)c(O)c(C(C)(C)C)c1 ZINC000824555340 1289696594 /nfs/dbraw/zinc/69/65/94/1289696594.db2.gz FOFNYUXDKRHPLL-UHFFFAOYSA-N 1 1 334.460 2.928 20 10 EFCDMO Cc1cc(O)c(C[N@H+](C2CC2)[C@H]2CCS(=O)(=O)C2)cc1Cl ZINC000824565981 1289701672 /nfs/dbraw/zinc/70/16/72/1289701672.db2.gz AGFNKQBTPZNOKD-ZDUSSCGKSA-N 1 1 329.849 2.506 20 10 EFCDMO Cc1cc(O)c(C[N@@H+](C2CC2)[C@H]2CCS(=O)(=O)C2)cc1Cl ZINC000824565981 1289701680 /nfs/dbraw/zinc/70/16/80/1289701680.db2.gz AGFNKQBTPZNOKD-ZDUSSCGKSA-N 1 1 329.849 2.506 20 10 EFCDMO CCOc1ccc(C[N@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)c(O)c1 ZINC000824608398 1289724119 /nfs/dbraw/zinc/72/41/19/1289724119.db2.gz GQNYJIUBRLWOIN-AWEZNQCLSA-N 1 1 334.460 2.905 20 10 EFCDMO COc1cc(C[N@@H+]2CC[S@](=O)C[C@@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000825698740 1290064232 /nfs/dbraw/zinc/06/42/32/1290064232.db2.gz RESPTVYAVVVYKX-NPMABZOXSA-N 1 1 339.501 2.899 20 10 EFCDMO COc1cc(C[N@H+]2CC[S@](=O)C[C@@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000825698740 1290064241 /nfs/dbraw/zinc/06/42/41/1290064241.db2.gz RESPTVYAVVVYKX-NPMABZOXSA-N 1 1 339.501 2.899 20 10 EFCDMO C[N@@H+]1CCN(C(=O)CCc2ccc(O)c(O)c2)[C@H](c2ccccc2)C1 ZINC001182153791 1290096060 /nfs/dbraw/zinc/09/60/60/1290096060.db2.gz KFJWDXUBICGDGY-KRWDZBQOSA-N 1 1 340.423 2.546 20 10 EFCDMO C[N@H+]1CCN(C(=O)CCc2ccc(O)c(O)c2)[C@H](c2ccccc2)C1 ZINC001182153791 1290096070 /nfs/dbraw/zinc/09/60/70/1290096070.db2.gz KFJWDXUBICGDGY-KRWDZBQOSA-N 1 1 340.423 2.546 20 10 EFCDMO COc1cc(C[N@H+]2CCC[C@](O)(C(F)(F)F)[C@H](C)C2)cc(O)c1O ZINC001204342874 1290203329 /nfs/dbraw/zinc/20/33/29/1290203329.db2.gz NWENGVCENBGVNJ-MEBBXXQBSA-N 1 1 349.349 2.632 20 10 EFCDMO COc1cc(C[N@@H+](C)Cc2ccc3c(c2)OCCO3)cc(O)c1O ZINC001204343418 1290208920 /nfs/dbraw/zinc/20/89/20/1290208920.db2.gz PUHGNHWMENOAKY-UHFFFAOYSA-N 1 1 331.368 2.510 20 10 EFCDMO C[C@@H]1CC[N@H+](Cc2cc(F)cc(Br)c2[O-])C[C@H]1C[NH3+] ZINC001205316444 1290540515 /nfs/dbraw/zinc/54/05/15/1290540515.db2.gz IZWWCNPFXHAZMN-MWLCHTKSSA-N 1 1 331.229 2.711 20 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COC(=O)[C@H]1C[N@@H+](Cc2ccc(N(C)C)cc2O)Cc2ccccc21 ZINC001232841251 1312792813 /nfs/dbraw/zinc/79/28/13/1312792813.db2.gz ZOMLTKVUMCNHSQ-SFHVURJKSA-N 1 1 340.423 2.731 20 10 EFCDMO Cc1ccc(O[C@H]2CC[N@H+](Cc3ccc(N(C)C)cc3O)C2)nc1 ZINC001232841350 1312792845 /nfs/dbraw/zinc/79/28/45/1312792845.db2.gz DIVNOQILPIPNSK-KRWDZBQOSA-N 1 1 327.428 2.815 20 10 EFCDMO Cc1cccc(O[C@H]2CC[N@H+](Cc3ccc(N(C)C)cc3O)C2)n1 ZINC001232841790 1312793112 /nfs/dbraw/zinc/79/31/12/1312793112.db2.gz SDMSRZFROXQXOK-KRWDZBQOSA-N 1 1 327.428 2.815 20 10 EFCDMO CC[N@@H+](CCC(=O)OC)Cc1cc(Br)cc(OC)c1O ZINC000092379973 1290685983 /nfs/dbraw/zinc/68/59/83/1290685983.db2.gz RRLDGLCILCKNPK-UHFFFAOYSA-N 1 1 346.221 2.548 20 10 EFCDMO COc1c(O)c(C[NH2+]Cc2ccc3c(c2)CCO3)ccc1[N+](=O)[O-] ZINC000774988748 1290895277 /nfs/dbraw/zinc/89/52/77/1290895277.db2.gz HYMPOHPHYHWMCX-UHFFFAOYSA-N 1 1 330.340 2.534 20 10 EFCDMO COc1c(O)c(C[NH2+][C@H](C)CCc2cccn2C)ccc1[N+](=O)[O-] ZINC000775014681 1290949809 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Cc1ccc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(O)c1 ZINC000876753545 1291006861 /nfs/dbraw/zinc/00/68/61/1291006861.db2.gz MBLWJHKYMHBCIR-CQSZACIVSA-N 1 1 328.372 2.690 20 10 EFCDMO COc1cc(NC(=O)C[N@H+](C)Cc2ccc(C)cc2O)cc(OC)c1 ZINC000876799853 1291026647 /nfs/dbraw/zinc/02/66/47/1291026647.db2.gz CZJVZDRHAMFHEK-UHFFFAOYSA-N 1 1 344.411 2.788 20 10 EFCDMO COc1cc(NC(=O)C[N@@H+](C)Cc2ccc(C)cc2O)cc(OC)c1 ZINC000876799853 1291026658 /nfs/dbraw/zinc/02/66/58/1291026658.db2.gz CZJVZDRHAMFHEK-UHFFFAOYSA-N 1 1 344.411 2.788 20 10 EFCDMO Cc1ccc(CNc2cccc(C[N@H+]3CCC[C@H]3C(N)=O)c2)c(O)c1 ZINC000876844815 1291045431 /nfs/dbraw/zinc/04/54/31/1291045431.db2.gz JGKFCAWOHWSSIR-SFHVURJKSA-N 1 1 339.439 2.762 20 10 EFCDMO Cc1cccc(O)c1CNc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000876845250 1291046046 /nfs/dbraw/zinc/04/60/46/1291046046.db2.gz PZXYZOABXNEJRH-GOSISDBHSA-N 1 1 339.439 2.762 20 10 EFCDMO Cc1ccc(C[N@H+]2CC[C@@H]3[C@@H]2CCN3Cc2cc(O)c(O)c(O)c2)o1 ZINC001233012674 1312831725 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QZNPIHXOMHHFML-UHFFFAOYSA-N 1 1 338.201 2.913 20 10 EFCDMO CCOC(=O)c1c(C[N@H+]2CC[C@@H](CO)[C@H]2C)c2ccccc2n1C ZINC001233270577 1312889953 /nfs/dbraw/zinc/88/99/53/1312889953.db2.gz SGGRDUNTNDHNIZ-KGLIPLIRSA-N 1 1 330.428 2.558 20 10 EFCDMO CCOC(=O)c1c(C[N@H+]2CCC[C@@H](CO)C2)c2ccccc2n1C ZINC001233270272 1312890388 /nfs/dbraw/zinc/89/03/88/1312890388.db2.gz HMWOHPIDCQDFQC-CQSZACIVSA-N 1 1 330.428 2.559 20 10 EFCDMO CCOC(=O)c1c(C[N@H+]2CC[C@@H](C)[C@H](O)C2)c2ccccc2n1C ZINC001233270255 1312890422 /nfs/dbraw/zinc/89/04/22/1312890422.db2.gz GQPSHZPPKWJXBY-CXAGYDPISA-N 1 1 330.428 2.558 20 10 EFCDMO CCOC(=O)c1c(C[N@H+]2CCC[C@@H](C)[C@H]2CO)c2ccccc2n1C ZINC001233270561 1312890568 /nfs/dbraw/zinc/89/05/68/1312890568.db2.gz RPKQSAARYZZOGB-RDTXWAMCSA-N 1 1 344.455 2.948 20 10 EFCDMO CCOC(=O)c1c(C[N@H+]2CCC[C@@H](C)[C@@H]2CO)c2ccccc2n1C ZINC001233270559 1312890579 /nfs/dbraw/zinc/89/05/79/1312890579.db2.gz RPKQSAARYZZOGB-KDOFPFPSSA-N 1 1 344.455 2.948 20 10 EFCDMO CCOC(=O)c1c(C[N@@H+]2CC[C@]23CCOC3)c2ccccc2n1C ZINC001233272890 1312890819 /nfs/dbraw/zinc/89/08/19/1312890819.db2.gz GEHVUVABVQDJMU-LJQANCHMSA-N 1 1 328.412 2.720 20 10 EFCDMO CCOC(=O)c1c(C[N@H+]2CC[C@]23CCOC3)c2ccccc2n1C ZINC001233272890 1312890822 /nfs/dbraw/zinc/89/08/22/1312890822.db2.gz GEHVUVABVQDJMU-LJQANCHMSA-N 1 1 328.412 2.720 20 10 EFCDMO CC(C)(C)c1ccc(O)c(C[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)c1 ZINC001233283408 1312895693 /nfs/dbraw/zinc/89/56/93/1312895693.db2.gz GDJNYMDUFQDHNV-GOSISDBHSA-N 1 1 346.471 2.513 20 10 EFCDMO CCOC(=O)[C@@H]1C[N@H+](Cc2cc(Cl)cc(OC)c2O)CCS1 ZINC001233290506 1312896571 /nfs/dbraw/zinc/89/65/71/1312896571.db2.gz GIWUPTBPTZPWJF-ZDUSSCGKSA-N 1 1 345.848 2.535 20 10 EFCDMO CCOC(=O)[C@@H]1C[N@@H+](Cc2cc(Cl)cc(OC)c2O)CCS1 ZINC001233290506 1312896576 /nfs/dbraw/zinc/89/65/76/1312896576.db2.gz GIWUPTBPTZPWJF-ZDUSSCGKSA-N 1 1 345.848 2.535 20 10 EFCDMO C[N@@H+](C1CCOCC1)C1CCN(Cc2c(O)ccc(F)c2F)CC1 ZINC001233334976 1312906520 /nfs/dbraw/zinc/90/65/20/1312906520.db2.gz BZMPIURTBOTLQS-UHFFFAOYSA-N 1 1 340.414 2.746 20 10 EFCDMO Oc1c(C[N@@H+]2CC[C@@H](Oc3ncccn3)C2)cccc1C(F)(F)F ZINC001233419763 1312928534 /nfs/dbraw/zinc/92/85/34/1312928534.db2.gz LRCZPFDCFWJWPP-GFCCVEGCSA-N 1 1 339.317 2.854 20 10 EFCDMO Oc1c(C[N@H+]2CC[C@@H](Oc3ncccn3)C2)cccc1C(F)(F)F ZINC001233419763 1312928536 /nfs/dbraw/zinc/92/85/36/1312928536.db2.gz LRCZPFDCFWJWPP-GFCCVEGCSA-N 1 1 339.317 2.854 20 10 EFCDMO CN1C(=O)CC[C@@H]2C[N@@H+](Cc3cccc(C(F)(F)F)c3O)CC[C@@H]21 ZINC001233419590 1312928657 /nfs/dbraw/zinc/92/86/57/1312928657.db2.gz FKOJKYBQKVPFFC-RISCZKNCSA-N 1 1 342.361 2.854 20 10 EFCDMO CN1C(=O)CC[C@@H]2C[N@H+](Cc3cccc(C(F)(F)F)c3O)CC[C@@H]21 ZINC001233419590 1312928661 /nfs/dbraw/zinc/92/86/61/1312928661.db2.gz FKOJKYBQKVPFFC-RISCZKNCSA-N 1 1 342.361 2.854 20 10 EFCDMO CN1C(=O)CC[C@H]2C[N@@H+](Cc3cccc(C(F)(F)F)c3O)CC[C@@H]21 ZINC001233419589 1312929138 /nfs/dbraw/zinc/92/91/38/1312929138.db2.gz FKOJKYBQKVPFFC-FZMZJTMJSA-N 1 1 342.361 2.854 20 10 EFCDMO CN1C(=O)CC[C@H]2C[N@H+](Cc3cccc(C(F)(F)F)c3O)CC[C@@H]21 ZINC001233419589 1312929141 /nfs/dbraw/zinc/92/91/41/1312929141.db2.gz FKOJKYBQKVPFFC-FZMZJTMJSA-N 1 1 342.361 2.854 20 10 EFCDMO Oc1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@](O)(CF)[C@@H](F)C1 ZINC001233452411 1312935077 /nfs/dbraw/zinc/93/50/77/1312935077.db2.gz VMGMNSCLTAQASW-STQMWFEESA-N 1 1 325.277 2.655 20 10 EFCDMO Oc1cc(C(F)(F)F)ccc1C[N@H+]1CC[C@](O)(CF)[C@@H](F)C1 ZINC001233452411 1312935080 /nfs/dbraw/zinc/93/50/80/1312935080.db2.gz VMGMNSCLTAQASW-STQMWFEESA-N 1 1 325.277 2.655 20 10 EFCDMO CN(Cc1cc(O)c(O)cc1O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001233482221 1312939763 /nfs/dbraw/zinc/93/97/63/1312939763.db2.gz FTOVOILLXWOEGW-MRXNPFEDSA-N 1 1 328.412 2.510 20 10 EFCDMO C[N@H+](Cc1cc(O)c(O)cc1O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001233482221 1312939766 /nfs/dbraw/zinc/93/97/66/1312939766.db2.gz FTOVOILLXWOEGW-MRXNPFEDSA-N 1 1 328.412 2.510 20 10 EFCDMO C[N@@H+](Cc1cc(O)c(O)cc1O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001233482221 1312939768 /nfs/dbraw/zinc/93/97/68/1312939768.db2.gz FTOVOILLXWOEGW-MRXNPFEDSA-N 1 1 328.412 2.510 20 10 EFCDMO C[N@H+](Cc1cncc(Br)c1)Cc1cc(O)c(O)cc1O ZINC001233484009 1312939942 /nfs/dbraw/zinc/93/99/42/1312939942.db2.gz UWIYHLLOCOHICQ-UHFFFAOYSA-N 1 1 339.189 2.593 20 10 EFCDMO C[N@@H+](Cc1cncc(Br)c1)Cc1cc(O)c(O)cc1O ZINC001233484009 1312939944 /nfs/dbraw/zinc/93/99/44/1312939944.db2.gz UWIYHLLOCOHICQ-UHFFFAOYSA-N 1 1 339.189 2.593 20 10 EFCDMO CC(C)c1noc([C@@H]2CCC[N@@H+](Cc3cc(O)c(O)cc3O)C2)n1 ZINC001233486391 1312940442 /nfs/dbraw/zinc/94/04/42/1312940442.db2.gz LOVONCUBRDSEKP-LLVKDONJSA-N 1 1 333.388 2.689 20 10 EFCDMO Cc1ccc([C@@]2(C)C[N@H+](Cc3cc(O)c(O)cc3O)CCO2)cc1 ZINC001233485641 1312940718 /nfs/dbraw/zinc/94/07/18/1312940718.db2.gz FACFZBKFRBXSOH-LJQANCHMSA-N 1 1 329.396 2.859 20 10 EFCDMO Cc1ccc([C@@]2(C)C[N@@H+](Cc3cc(O)c(O)cc3O)CCO2)cc1 ZINC001233485641 1312940720 /nfs/dbraw/zinc/94/07/20/1312940720.db2.gz FACFZBKFRBXSOH-LJQANCHMSA-N 1 1 329.396 2.859 20 10 EFCDMO Oc1cc(O)c(CN2C[C@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)cc1O ZINC001233485608 1312940729 /nfs/dbraw/zinc/94/07/29/1312940729.db2.gz CYOXBNCNAAANRE-NVXWUHKLSA-N 1 1 340.423 2.510 20 10 EFCDMO Oc1cc(O)c(C[N@@H+]2C[C@H]3CCN(Cc4ccccc4)[C@@H]3C2)cc1O ZINC001233485608 1312940731 /nfs/dbraw/zinc/94/07/31/1312940731.db2.gz CYOXBNCNAAANRE-NVXWUHKLSA-N 1 1 340.423 2.510 20 10 EFCDMO Oc1cc(O)c(C[N@H+]2C[C@H]3CCN(Cc4ccccc4)[C@@H]3C2)cc1O ZINC001233485608 1312940732 /nfs/dbraw/zinc/94/07/32/1312940732.db2.gz CYOXBNCNAAANRE-NVXWUHKLSA-N 1 1 340.423 2.510 20 10 EFCDMO COC(=O)c1ccc([C@H]2CCC[N@H+]2Cc2cc(O)c(O)cc2O)cc1 ZINC001233487564 1312941150 /nfs/dbraw/zinc/94/11/50/1312941150.db2.gz JPAWUNPHOIQXPF-OAHLLOKOSA-N 1 1 343.379 2.927 20 10 EFCDMO COC(=O)c1ccc([C@@H]2CCC[N@H+]2Cc2cc(O)c(O)cc2O)cc1 ZINC001233487563 1312941427 /nfs/dbraw/zinc/94/14/27/1312941427.db2.gz JPAWUNPHOIQXPF-HNNXBMFYSA-N 1 1 343.379 2.927 20 10 EFCDMO O=S1(=O)CC[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)c2cc(F)ccc21 ZINC000775499918 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CCOc1cccc(C[N@H+]2CC[C@@H](Oc3ccnc(OC)c3)C2)c1O ZINC001203617573 1312972555 /nfs/dbraw/zinc/97/25/55/1312972555.db2.gz QJFPNIGADHOPRH-MRXNPFEDSA-N 1 1 344.411 2.848 20 10 EFCDMO CCOc1cccc(C[N@H+]2CCC[C@H](Oc3nccc(C)n3)C2)c1O ZINC001203617871 1312972569 /nfs/dbraw/zinc/97/25/69/1312972569.db2.gz WKCBXHSLEMLEHE-INIZCTEOSA-N 1 1 343.427 2.933 20 10 EFCDMO CCOc1cccc(CN2CCN(c3cc[nH+]c(C)c3)CC2)c1O ZINC001203617191 1312972695 /nfs/dbraw/zinc/97/26/95/1312972695.db2.gz LEYBGDABSQIMSV-UHFFFAOYSA-N 1 1 327.428 2.817 20 10 EFCDMO COc1ccc(C[N@H+]2CC[C@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)c(O)c1 ZINC001203621381 1312973345 /nfs/dbraw/zinc/97/33/45/1312973345.db2.gz CFDCHOKAXMEYQA-HOTGVXAUSA-N 1 1 348.443 2.985 20 10 EFCDMO COc1ccc(C[NH+]2CCN(c3ccc(C(C)=O)cc3)CC2)c(O)c1 ZINC001203627425 1312975042 /nfs/dbraw/zinc/97/50/42/1312975042.db2.gz DAAUVXTWEVPIIN-UHFFFAOYSA-N 1 1 340.423 2.926 20 10 EFCDMO COc1ccc(C[N@@H+](C2CC2)C2CN(C(=O)OC(C)(C)C)C2)c(O)c1 ZINC001203629355 1312975664 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COc1ccc(C[N@H+]2CCC[C@H](Oc3nccnc3C)C2)c(O)c1 ZINC001203634936 1312977383 /nfs/dbraw/zinc/97/73/83/1312977383.db2.gz BTWUEOGOJWKWFY-INIZCTEOSA-N 1 1 329.400 2.543 20 10 EFCDMO COC(=O)[C@H]1C[N@@H+](Cc2ccc(OC)cc2O)Cc2ccccc21 ZINC001203634813 1312977513 /nfs/dbraw/zinc/97/75/13/1312977513.db2.gz WSPOUUCVXYYTRR-KRWDZBQOSA-N 1 1 327.380 2.673 20 10 EFCDMO COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H]2CN3C(=O)OC(C)(C)C)c(O)c1 ZINC001203634750 1312977665 /nfs/dbraw/zinc/97/76/65/1312977665.db2.gz UBWNKMQOZIVFSA-GJZGRUSLSA-N 1 1 348.443 2.985 20 10 EFCDMO COc1ccc(C[N@H+]2C[C@@H]3CC[C@H]2CN3C(=O)OC(C)(C)C)c(O)c1 ZINC001203634750 1312977667 /nfs/dbraw/zinc/97/76/67/1312977667.db2.gz UBWNKMQOZIVFSA-GJZGRUSLSA-N 1 1 348.443 2.985 20 10 EFCDMO COc1ccc(O[C@@H]2CCC[N@@H+](Cc3ccc(OC)cc3O)C2)nc1 ZINC001203635161 1312977801 /nfs/dbraw/zinc/97/78/01/1312977801.db2.gz MABOLEPNYFCCKC-QGZVFWFLSA-N 1 1 344.411 2.848 20 10 EFCDMO OC[C@@]1(F)CCC[N@@H+](Cc2cccc(OC(F)(F)F)c2O)CC1 ZINC001233726683 1312978565 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C[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(O)c(O)c1Cl ZINC001193236690 1293209283 /nfs/dbraw/zinc/20/92/83/1293209283.db2.gz NEAPUURSICURBG-NSHDSACASA-N 1 1 326.824 2.746 20 10 EFCDMO COc1ccc(O)c(C[N@H+]2CCC[C@]3(C2)COCCN(C(C)C)C3)c1 ZINC001203671141 1312985620 /nfs/dbraw/zinc/98/56/20/1312985620.db2.gz KMZWYXTWMWKMQK-HXUWFJFHSA-N 1 1 348.487 2.724 20 10 EFCDMO COc1ccc(O)c(CN2CCC[C@]3(C2)COCC[N@@H+](C(C)C)C3)c1 ZINC001203671141 1312985625 /nfs/dbraw/zinc/98/56/25/1312985625.db2.gz KMZWYXTWMWKMQK-HXUWFJFHSA-N 1 1 348.487 2.724 20 10 EFCDMO COc1ccc(O)c(CN2CCC[C@]3(C2)COCC[N@H+](C(C)C)C3)c1 ZINC001203671141 1312985630 /nfs/dbraw/zinc/98/56/30/1312985630.db2.gz KMZWYXTWMWKMQK-HXUWFJFHSA-N 1 1 348.487 2.724 20 10 EFCDMO COc1ccc(O)c(C[N@@H+]2CCN(C(=O)OC(C)(C)C)CC23CC3)c1 ZINC001203670711 1312985779 /nfs/dbraw/zinc/98/57/79/1312985779.db2.gz XPNOXDYVKIVXCX-UHFFFAOYSA-N 1 1 348.443 2.986 20 10 EFCDMO COc1ccc(O)c(C[N@H+]2CCN(C(=O)OC(C)(C)C)CC23CC3)c1 ZINC001203670711 1312985781 /nfs/dbraw/zinc/98/57/81/1312985781.db2.gz XPNOXDYVKIVXCX-UHFFFAOYSA-N 1 1 348.443 2.986 20 10 EFCDMO COc1ccc(O)c(C[N@@H+]2CCC[C@@H]3[C@@H]2CN3C(=O)OC(C)(C)C)c1 ZINC001203671751 1312985895 /nfs/dbraw/zinc/98/58/95/1312985895.db2.gz WLWJWOSDFMDRRD-CVEARBPZSA-N 1 1 348.443 2.985 20 10 EFCDMO COc1ccc(O)c(C[N@H+]2CCC[C@@H]3[C@@H]2CN3C(=O)OC(C)(C)C)c1 ZINC001203671751 1312985897 /nfs/dbraw/zinc/98/58/97/1312985897.db2.gz WLWJWOSDFMDRRD-CVEARBPZSA-N 1 1 348.443 2.985 20 10 EFCDMO COc1ccc(O)c(C[N@H+]2CC3CC2(CNC(=O)OC(C)(C)C)C3)c1 ZINC001203670616 1312986040 /nfs/dbraw/zinc/98/60/40/1312986040.db2.gz VGBFINBQTHOZDM-UHFFFAOYSA-N 1 1 348.443 2.890 20 10 EFCDMO COC(=O)[C@H]1C[C@H](C)C[N@@H+](Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001233760579 1312986163 /nfs/dbraw/zinc/98/61/63/1312986163.db2.gz HYTVBIDVTKLJQD-JQWIXIFHSA-N 1 1 347.333 2.922 20 10 EFCDMO COc1ccc(O)c(C[N@H+]2CC[C@]3(C[C@@H](OCC4CC4)CO3)C2)c1 ZINC001203675016 1312987014 /nfs/dbraw/zinc/98/70/14/1312987014.db2.gz HVCFMRHJDBSWOP-MJGOQNOKSA-N 1 1 333.428 2.561 20 10 EFCDMO COC(=O)[C@@]1(C)CC[N@@H+](Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001233775916 1312989789 /nfs/dbraw/zinc/98/97/89/1312989789.db2.gz GIKLZJANZNUXAO-AWEZNQCLSA-N 1 1 333.306 2.676 20 10 EFCDMO COc1ccc(O)c(C[N@H+]2CCC[C@H](Oc3nccc(C)n3)C2)c1 ZINC001203684311 1312989827 /nfs/dbraw/zinc/98/98/27/1312989827.db2.gz QRFMKQIOTPWWOS-INIZCTEOSA-N 1 1 329.400 2.543 20 10 EFCDMO CC(C)[N@@H+]1CC[C@@H](NC(=O)c2cc(O)c(O)c(Cl)c2)[C@@H](C)C1 ZINC001193635003 1293378591 /nfs/dbraw/zinc/37/85/91/1293378591.db2.gz OULGGASPUOTIKL-GXFFZTMASA-N 1 1 326.824 2.600 20 10 EFCDMO CC(C)[N@H+]1CC[C@@H](NC(=O)c2cc(O)c(O)c(Cl)c2)[C@@H](C)C1 ZINC001193635003 1293378598 /nfs/dbraw/zinc/37/85/98/1293378598.db2.gz OULGGASPUOTIKL-GXFFZTMASA-N 1 1 326.824 2.600 20 10 EFCDMO OC[C@H](C[NH2+]Cc1cc(F)cc(F)c1O)Cc1ccc(F)cc1 ZINC000882916197 1293383327 /nfs/dbraw/zinc/38/33/27/1293383327.db2.gz JWHNAPNNAJNDLG-LBPRGKRZSA-N 1 1 325.330 2.750 20 10 EFCDMO C[C@H](NCc1ccc(N2CC[NH+](C)CC2)cc1)c1ccc(F)cn1 ZINC000883290021 1293532850 /nfs/dbraw/zinc/53/28/50/1293532850.db2.gz ILAFRDAIDKJYBV-HNNXBMFYSA-N 1 1 328.435 2.823 20 10 EFCDMO COc1cc(C[N@H+]2CCc3cccc(O)c3C2)ccc1OC(C)=O ZINC001203836871 1313028564 /nfs/dbraw/zinc/02/85/64/1313028564.db2.gz IZQSRLHOWWPFHG-UHFFFAOYSA-N 1 1 327.380 2.884 20 10 EFCDMO COc1ccccc1C(=O)N1CC[NH+](Cc2cccc(C)c2O)CC1 ZINC000775649437 1293884566 /nfs/dbraw/zinc/88/45/66/1293884566.db2.gz RHSZSEJOBFTKDZ-UHFFFAOYSA-N 1 1 340.423 2.667 20 10 EFCDMO CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2Cc2ccc(O)c(O)c2)C1 ZINC001203874707 1313038207 /nfs/dbraw/zinc/03/82/07/1313038207.db2.gz BWKUVBGZBWDELC-LSDHHAIUSA-N 1 1 348.443 2.929 20 10 EFCDMO C[C@@H]1CC[N@H+](Cc2ccc(O)c(O)c2)C[C@H]1NC(=O)OC(C)(C)C ZINC001203875171 1313038520 /nfs/dbraw/zinc/03/85/20/1313038520.db2.gz JLFXPMKKYZVFJC-TZMCWYRMSA-N 1 1 336.432 2.833 20 10 EFCDMO C[C@@H]1CC[N@@H+](Cc2ccc(O)c(O)c2)C[C@H]1NC(=O)OC(C)(C)C ZINC001203875171 1313038523 /nfs/dbraw/zinc/03/85/23/1313038523.db2.gz JLFXPMKKYZVFJC-TZMCWYRMSA-N 1 1 336.432 2.833 20 10 EFCDMO O=C1N(c2ccsc2)CC[C@@]12CC[N@H+](Cc1ccc(O)c(O)c1)C2 ZINC001203877615 1313038998 /nfs/dbraw/zinc/03/89/98/1313038998.db2.gz UMSNCHFDJNSKBZ-GOSISDBHSA-N 1 1 344.436 2.788 20 10 EFCDMO C[NH+]1CCN(c2ccc(CN3CCOc4ccccc4C3)cc2)CC1 ZINC000775658803 1293939926 /nfs/dbraw/zinc/93/99/26/1293939926.db2.gz CGZLOMNWLNEVOC-UHFFFAOYSA-N 1 1 337.467 2.833 20 10 EFCDMO C[N@H+](Cc1ccc(O)c(O)c1)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001203881114 1313039817 /nfs/dbraw/zinc/03/98/17/1313039817.db2.gz LUVLJMNMGMVZCK-AWEZNQCLSA-N 1 1 336.432 2.929 20 10 EFCDMO Oc1ccc(C[N@H+]2CCc3ncnc(-c4ccncc4)c3CC2)cc1O ZINC001203879731 1313040011 /nfs/dbraw/zinc/04/00/11/1313040011.db2.gz ZIKUOPYJGBHXSW-UHFFFAOYSA-N 1 1 348.406 2.551 20 10 EFCDMO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](Cc3ccc(O)c(O)c3)C[C@H]2C1 ZINC001203882895 1313040427 /nfs/dbraw/zinc/04/04/27/1313040427.db2.gz WMUPDVYDNVWFQH-CABCVRRESA-N 1 1 348.443 2.787 20 10 EFCDMO C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccc(O)c(O)c1 ZINC001203882931 1313040832 /nfs/dbraw/zinc/04/08/32/1313040832.db2.gz XPXXJXPKWWPIEH-OCCSQVGLSA-N 1 1 336.432 2.975 20 10 EFCDMO C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C[N@H+]1Cc1ccc(O)c(O)c1 ZINC001203882931 1313040836 /nfs/dbraw/zinc/04/08/36/1313040836.db2.gz XPXXJXPKWWPIEH-OCCSQVGLSA-N 1 1 336.432 2.975 20 10 EFCDMO COc1cccnc1O[C@H]1CCC[N@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203883745 1313040877 /nfs/dbraw/zinc/04/08/77/1313040877.db2.gz NJQXGLYGHSSXQY-AWEZNQCLSA-N 1 1 330.384 2.545 20 10 EFCDMO COc1cccnc1O[C@H]1CCC[N@@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203883745 1313040880 /nfs/dbraw/zinc/04/08/80/1313040880.db2.gz NJQXGLYGHSSXQY-AWEZNQCLSA-N 1 1 330.384 2.545 20 10 EFCDMO CN(C)c1ccc(C[N@H+]2CC[C@H]3[C@H]2CCN3Cc2cccnc2)cc1 ZINC001203932163 1313049396 /nfs/dbraw/zinc/04/93/96/1313049396.db2.gz UPGDGRVDNNFZJH-RTWAWAEBSA-N 1 1 336.483 2.996 20 10 EFCDMO CN(C)c1ccc(CN2CC3(C2)CC[N@@H+](Cc2cccnc2)C3)cc1 ZINC001203931541 1313049560 /nfs/dbraw/zinc/04/95/60/1313049560.db2.gz JALSEJOGTRXNOB-UHFFFAOYSA-N 1 1 336.483 2.856 20 10 EFCDMO CN(C)c1ccc(C[NH+]2CC3(C2)CCN(Cc2cccnc2)C3)cc1 ZINC001203931541 1313049562 /nfs/dbraw/zinc/04/95/62/1313049562.db2.gz JALSEJOGTRXNOB-UHFFFAOYSA-N 1 1 336.483 2.856 20 10 EFCDMO CN(C)c1ccc(C[N@H+]2C[C@@H]3[C@H](NC(=O)OC(C)(C)C)[C@@H]3C2)cc1 ZINC001203931128 1313049716 /nfs/dbraw/zinc/04/97/16/1313049716.db2.gz NGYWEUUZGUFHIO-BJWYYQGGSA-N 1 1 331.460 2.708 20 10 EFCDMO CCOCc1ncn2c1C[N@@H+](Cc1ccc(N(C)C)cc1)CCC2 ZINC001203931140 1313049777 /nfs/dbraw/zinc/04/97/77/1313049777.db2.gz BVWKCKLNLSTRLM-UHFFFAOYSA-N 1 1 328.460 2.892 20 10 EFCDMO CN(C)c1ccc(C[N@H+]2C[C@H]3C[C@@H](C2)N3C(=O)OC(C)(C)C)cc1 ZINC001203931425 1313049888 /nfs/dbraw/zinc/04/98/88/1313049888.db2.gz POBHFNOYUPJZDJ-CALCHBBNSA-N 1 1 331.460 2.946 20 10 EFCDMO CN(C)c1ccc(C[N@@H+]2C[C@H]3C[C@@H](C2)N3C(=O)OC(C)(C)C)cc1 ZINC001203931425 1313049891 /nfs/dbraw/zinc/04/98/91/1313049891.db2.gz POBHFNOYUPJZDJ-CALCHBBNSA-N 1 1 331.460 2.946 20 10 EFCDMO CN(C)c1ccc(C[N@@H+]2C[C@H]3CN(C(=O)c4ccco4)C[C@H]3C2)cc1 ZINC001203932251 1313050177 /nfs/dbraw/zinc/05/01/77/1313050177.db2.gz XDGBKDJXRCLKCO-CALCHBBNSA-N 1 1 339.439 2.550 20 10 EFCDMO CC[N@@H+]([C@H]1CCOC1)C1CCN(Cc2ccc(N(C)C)cc2)CC1 ZINC001203933707 1313050416 /nfs/dbraw/zinc/05/04/16/1313050416.db2.gz GPRQSAZHYMUIAW-FQEVSTJZSA-N 1 1 331.504 2.828 20 10 EFCDMO CN(C)c1ccc(C[NH+]2CCN(C(=O)Cc3ccsc3)CC2)cc1 ZINC001203936252 1313051198 /nfs/dbraw/zinc/05/11/98/1313051198.db2.gz FQTKFDKEROCVAU-UHFFFAOYSA-N 1 1 343.496 2.701 20 10 EFCDMO CCN(CC)c1ccc(C[N@H+]2CCc3ncnc(OC)c3CC2)cc1 ZINC001203939254 1313051482 /nfs/dbraw/zinc/05/14/82/1313051482.db2.gz MPGLTPCQRDQMJF-UHFFFAOYSA-N 1 1 340.471 2.932 20 10 EFCDMO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2Cc1cc(Cl)cc(F)c1O ZINC000775738982 1294332679 /nfs/dbraw/zinc/33/26/79/1294332679.db2.gz ATZORVXACSFIFE-VNQPRFMTSA-N 1 1 342.842 2.868 20 10 EFCDMO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1cc(Cl)cc(F)c1[O-] ZINC000775738982 1294332687 /nfs/dbraw/zinc/33/26/87/1294332687.db2.gz ATZORVXACSFIFE-VNQPRFMTSA-N 1 1 342.842 2.868 20 10 EFCDMO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1cc(Cl)cc(F)c1[O-] ZINC000775738982 1294332690 /nfs/dbraw/zinc/33/26/90/1294332690.db2.gz ATZORVXACSFIFE-VNQPRFMTSA-N 1 1 342.842 2.868 20 10 EFCDMO CC(C)CO[C@H]1CC[N@H+](Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000775737865 1294344670 /nfs/dbraw/zinc/34/46/70/1294344670.db2.gz NVADHOALQAWBBK-FQEVSTJZSA-N 1 1 331.504 2.685 20 10 EFCDMO CC(C)CO[C@H]1CC[N@@H+](Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000775737865 1294344678 /nfs/dbraw/zinc/34/46/78/1294344678.db2.gz NVADHOALQAWBBK-FQEVSTJZSA-N 1 1 331.504 2.685 20 10 EFCDMO CC(C)NC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1c([O-])cccc1F)C2 ZINC001276359114 1294609633 /nfs/dbraw/zinc/60/96/33/1294609633.db2.gz GGZHXNITUYBUSR-IBGZPJMESA-N 1 1 349.450 2.937 20 10 EFCDMO CC(C)NC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1c(O)cccc1F)C2 ZINC001276359114 1294609648 /nfs/dbraw/zinc/60/96/48/1294609648.db2.gz GGZHXNITUYBUSR-IBGZPJMESA-N 1 1 349.450 2.937 20 10 EFCDMO CC(C)NC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1c(O)cccc1F)C2 ZINC001276359114 1294609660 /nfs/dbraw/zinc/60/96/60/1294609660.db2.gz GGZHXNITUYBUSR-IBGZPJMESA-N 1 1 349.450 2.937 20 10 EFCDMO C[NH+]1CCN(c2ccc(CNCc3ccc(Cl)cn3)cc2)CC1 ZINC000886185623 1294754621 /nfs/dbraw/zinc/75/46/21/1294754621.db2.gz AZJVHFWWHWNWAH-UHFFFAOYSA-N 1 1 330.863 2.777 20 10 EFCDMO COc1cc(Cl)cc(C[NH+]2CC3(CN(Cc4ccc[nH]4)C3)C2)c1O ZINC001276447860 1313100512 /nfs/dbraw/zinc/10/05/12/1313100512.db2.gz CBWRJRFBAUUYNX-UHFFFAOYSA-N 1 1 347.846 2.700 20 10 EFCDMO CN(C)c1ccc(CN2CC[NH+]([C@H]3CCOC3)CC2)c2ccccc21 ZINC001204233961 1313105669 /nfs/dbraw/zinc/10/56/69/1313105669.db2.gz VEIVGIJKKAPGKY-SFHVURJKSA-N 1 1 339.483 2.812 20 10 EFCDMO CN(C)c1ccc(C[N@H+]2CCO[C@@H]3C[C@@H](CO)C[C@H]32)c2ccccc21 ZINC001204235107 1313106194 /nfs/dbraw/zinc/10/61/94/1313106194.db2.gz GDPLMWMSIBCFBK-IWMITWMQSA-N 1 1 340.467 2.878 20 10 EFCDMO CCOC(=O)[C@H]1C[N@H+](Cc2ccc(N(C)C)c3ccccc23)CCO1 ZINC001204242984 1313106598 /nfs/dbraw/zinc/10/65/98/1313106598.db2.gz VAKTUMXSYGCTOE-LJQANCHMSA-N 1 1 342.439 2.670 20 10 EFCDMO CCOC(=O)[C@H]1C[N@@H+](Cc2ccc(N(C)C)c3ccccc23)CCO1 ZINC001204242984 1313106601 /nfs/dbraw/zinc/10/66/01/1313106601.db2.gz VAKTUMXSYGCTOE-LJQANCHMSA-N 1 1 342.439 2.670 20 10 EFCDMO CNC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(N(C)C)c3ccccc23)C1 ZINC001204240587 1313106774 /nfs/dbraw/zinc/10/67/74/1313106774.db2.gz ZNTRTAYREPKITN-INIZCTEOSA-N 1 1 340.471 2.799 20 10 EFCDMO CN(C)c1ccc(C[NH+]2CCN(CC(C)(C)O)CC2)c2ccccc21 ZINC001204241133 1313106843 /nfs/dbraw/zinc/10/68/43/1313106843.db2.gz WGZKEDGGNZFPER-UHFFFAOYSA-N 1 1 341.499 2.794 20 10 EFCDMO CN(C)c1ccc(C[N@H+](C)CCN2CCN(C)CC2)c2ccccc21 ZINC001204240540 1313106858 /nfs/dbraw/zinc/10/68/58/1313106858.db2.gz XKBCNGMLGXCLGT-UHFFFAOYSA-N 1 1 340.515 2.585 20 10 EFCDMO CN(C)c1ccc(C[N@@H+](C)CCN2CCN(C)CC2)c2ccccc21 ZINC001204240540 1313106862 /nfs/dbraw/zinc/10/68/62/1313106862.db2.gz XKBCNGMLGXCLGT-UHFFFAOYSA-N 1 1 340.515 2.585 20 10 EFCDMO CC[C@H]1C[N@@H+](Cc2ccc(O)cc2O)CCN1C(=O)OC(C)(C)C ZINC001204275524 1313113323 /nfs/dbraw/zinc/11/33/23/1313113323.db2.gz VEFKICSLRFVNSJ-AWEZNQCLSA-N 1 1 336.432 2.929 20 10 EFCDMO C[C@H]([NH2+]Cc1nc2ccccc2c(=O)n1C)c1ccc(N(C)C)cc1 ZINC000775830444 1294937781 /nfs/dbraw/zinc/93/77/81/1294937781.db2.gz IUBZWJBCZTVHSL-AWEZNQCLSA-N 1 1 336.439 2.850 20 10 EFCDMO Oc1ccc(C[N@H+]2CCCn3cnc(COCC4CC4)c3C2)c(O)c1 ZINC001204274605 1313113588 /nfs/dbraw/zinc/11/35/88/1313113588.db2.gz QKTZQFYPVKWQIW-UHFFFAOYSA-N 1 1 343.427 2.627 20 10 EFCDMO O=C1C[C@@H]2[C@H](CC[N@@H+]2Cc2ccc(O)cc2O)N1c1ccsc1 ZINC001204274617 1313113622 /nfs/dbraw/zinc/11/36/22/1313113622.db2.gz QRVXTPHOBRLOKG-LSDHHAIUSA-N 1 1 330.409 2.539 20 10 EFCDMO CC1(C)[N@@H+](Cc2ccc(O)cc2O)CC[C@@]12c1ccccc1OC2=O ZINC001204277487 1313114770 /nfs/dbraw/zinc/11/47/70/1313114770.db2.gz FCMRMJQDKHERNH-FQEVSTJZSA-N 1 1 339.391 2.939 20 10 EFCDMO CC(=O)c1ccc(N2CC[NH+](Cc3ccc(O)cc3O)CC2)cc1 ZINC001204278298 1313115206 /nfs/dbraw/zinc/11/52/06/1313115206.db2.gz DDBRJZBVZBPHAH-UHFFFAOYSA-N 1 1 326.396 2.623 20 10 EFCDMO NC(=O)[C@@H](c1ccccc1)[C@@H]1CCCC[N@H+]1Cc1ccc(O)cc1O ZINC001204279407 1313115357 /nfs/dbraw/zinc/11/53/57/1313115357.db2.gz YCICRESBBNGRNO-HKUYNNGSSA-N 1 1 340.423 2.721 20 10 EFCDMO CC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1Cc1ccc(O)cc1O ZINC001204278836 1313115453 /nfs/dbraw/zinc/11/54/53/1313115453.db2.gz KOXVBBADFYJLHW-AWEZNQCLSA-N 1 1 336.432 2.929 20 10 EFCDMO C[C@@H]1[C@@H](NC(=O)OC(C)(C)C)CCC[N@H+]1Cc1ccc(O)cc1O ZINC001204278244 1313115525 /nfs/dbraw/zinc/11/55/25/1313115525.db2.gz ZLEOYCAILGCYAO-DOMZBBRYSA-N 1 1 336.432 2.975 20 10 EFCDMO NC(=O)[C@@H](c1ccccc1)[C@H]1CCCC[N@H+]1Cc1ccc(O)cc1O ZINC001204279409 1313115548 /nfs/dbraw/zinc/11/55/48/1313115548.db2.gz YCICRESBBNGRNO-MJGOQNOKSA-N 1 1 340.423 2.721 20 10 EFCDMO CC(C)(C)OC(=O)N1CC[N@@H+](Cc2ccc(O)cc2O)CC1(C)C ZINC001204277832 1313115570 /nfs/dbraw/zinc/11/55/70/1313115570.db2.gz BUYWKBNFDMIGCQ-UHFFFAOYSA-N 1 1 336.432 2.929 20 10 EFCDMO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@@H+](Cc2ccc(O)cc2O)C1 ZINC001204281131 1313115848 /nfs/dbraw/zinc/11/58/48/1313115848.db2.gz RESVLSSIPRTUIA-JSGCOSHPSA-N 1 1 336.432 2.833 20 10 EFCDMO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@@H+](Cc2ccc(O)cc2O)C1 ZINC001204281134 1313115916 /nfs/dbraw/zinc/11/59/16/1313115916.db2.gz RESVLSSIPRTUIA-TZMCWYRMSA-N 1 1 336.432 2.833 20 10 EFCDMO CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(O)cc3O)C[C@@H]21 ZINC001204282717 1313115965 /nfs/dbraw/zinc/11/59/65/1313115965.db2.gz TZFDVEKIJOOPCH-VBNZEHGJSA-N 1 1 348.443 2.833 20 10 EFCDMO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(F)c(F)c1)c1c(O)cccc1F ZINC000886524339 1295002110 /nfs/dbraw/zinc/00/21/10/1295002110.db2.gz IVQOCSXKDZBHIP-GHMZBOCLSA-N 1 1 341.329 2.900 20 10 EFCDMO COc1cc(OC)cc([C@@H](O)C[NH2+][C@@H](C)c2c(O)cccc2F)c1 ZINC000886529267 1295003817 /nfs/dbraw/zinc/00/38/17/1295003817.db2.gz ZUJKCWGITNJGCW-GTNSWQLSSA-N 1 1 335.375 2.933 20 10 EFCDMO C[C@H]([NH2+]Cc1cccc(N2CCOCC2)n1)c1c(O)cccc1F ZINC000886594977 1295040528 /nfs/dbraw/zinc/04/05/28/1295040528.db2.gz XWOYRPNOCZCHOV-ZDUSSCGKSA-N 1 1 331.391 2.614 20 10 EFCDMO C[C@@H]([NH2+]Cc1cccc(N2CCOCC2)n1)c1c(O)cccc1F ZINC000886594976 1295040810 /nfs/dbraw/zinc/04/08/10/1295040810.db2.gz XWOYRPNOCZCHOV-CYBMUJFWSA-N 1 1 331.391 2.614 20 10 EFCDMO C[C@@H]([NH2+]Cc1ccc(S(C)(=O)=O)s1)c1c(O)cccc1F ZINC000886596575 1295043500 /nfs/dbraw/zinc/04/35/00/1295043500.db2.gz IWXTUPDINURJOO-SECBINFHSA-N 1 1 329.418 2.847 20 10 EFCDMO CCO[C@@H]1C[C@H]2CN(Cc3ccc(N4CCCC4)cc3)CC[N@H+]2C1 ZINC001204321824 1313122606 /nfs/dbraw/zinc/12/26/06/1313122606.db2.gz FZKVIXGZNPSPBY-VQTJNVASSA-N 1 1 329.488 2.582 20 10 EFCDMO COc1cc(Br)cc(C[N@H+]2CCC[C@@]3(CCO3)C2)c1O ZINC001204339723 1313125235 /nfs/dbraw/zinc/12/52/35/1313125235.db2.gz QKKYGWSMYKJUEF-OAHLLOKOSA-N 1 1 342.233 2.918 20 10 EFCDMO C[C@H]([NH2+]CC(=O)Nc1ccc2c(c1)OCCO2)c1c(O)cccc1F ZINC000886643562 1295085876 /nfs/dbraw/zinc/08/58/76/1295085876.db2.gz ZDRWPTDGWXKYSC-NSHDSACASA-N 1 1 346.358 2.592 20 10 EFCDMO COc1cc(Br)cc(C[N@H+]2CCCC[C@@H]2CO)c1O ZINC001204336329 1313125287 /nfs/dbraw/zinc/12/52/87/1313125287.db2.gz SPRTXQHGIKBODU-GFCCVEGCSA-N 1 1 330.222 2.510 20 10 EFCDMO COc1cc(C[NH+]2CCN(c3ccc(C)cc3)CC2)cc(O)c1O ZINC001204340527 1313125641 /nfs/dbraw/zinc/12/56/41/1313125641.db2.gz VWXQSGFBMDKXHR-UHFFFAOYSA-N 1 1 328.412 2.737 20 10 EFCDMO COC(=O)CC[N@@H+](Cc1ccccc1)Cc1cc(O)c(O)c(OC)c1 ZINC001204344142 1313126309 /nfs/dbraw/zinc/12/63/09/1313126309.db2.gz ZGYJBVTVXDWOMW-UHFFFAOYSA-N 1 1 345.395 2.672 20 10 EFCDMO COc1cc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc(O)c1O ZINC001204344780 1313126696 /nfs/dbraw/zinc/12/66/96/1313126696.db2.gz YMJQBEXPYSQWDR-UHFFFAOYSA-N 1 1 346.402 2.563 20 10 EFCDMO COc1cc(CN2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc(O)c1O ZINC001204345231 1313126703 /nfs/dbraw/zinc/12/67/03/1313126703.db2.gz PNARQSJSJNOMQS-HNNXBMFYSA-N 1 1 342.439 2.813 20 10 EFCDMO COc1cc(C[N@H+]2CCC[C@@H]2CC(=O)OC(C)(C)C)cc(O)c1O ZINC001204349040 1313126994 /nfs/dbraw/zinc/12/69/94/1313126994.db2.gz NBJWUXXWABUDKF-CYBMUJFWSA-N 1 1 337.416 2.803 20 10 EFCDMO CC[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc(O)c(O)c(OC)c1 ZINC001204350196 1313127269 /nfs/dbraw/zinc/12/72/69/1313127269.db2.gz DSWZPYXKWHYLCP-UHFFFAOYSA-N 1 1 331.368 2.857 20 10 EFCDMO COc1cc(C[N@@H+](C)Cc2ccc(-n3ccnc3)cc2)cc(O)c1O ZINC001204348227 1313127355 /nfs/dbraw/zinc/12/73/55/1313127355.db2.gz ACPICUOCOZORPK-UHFFFAOYSA-N 1 1 339.395 2.924 20 10 EFCDMO COc1cc(C[N@@H+]2CCC[C@H](Oc3cccc(C)n3)C2)cc(O)c1O ZINC001204351831 1313128148 /nfs/dbraw/zinc/12/81/48/1313128148.db2.gz WWHOQPOGOVZHDF-HNNXBMFYSA-N 1 1 344.411 2.853 20 10 EFCDMO COc1cc(C[N@H+]2CCC[C@H](Oc3cccc(C)n3)C2)cc(O)c1O ZINC001204351831 1313128151 /nfs/dbraw/zinc/12/81/51/1313128151.db2.gz WWHOQPOGOVZHDF-HNNXBMFYSA-N 1 1 344.411 2.853 20 10 EFCDMO CC(=O)c1cc(O)c(O)cc1O[C@@H]1CC[N@@H+]([C@@H](C)c2ccccn2)C1 ZINC001234477636 1313136552 /nfs/dbraw/zinc/13/65/52/1313136552.db2.gz UXHGUAVUKVERSJ-GXTWGEPZSA-N 1 1 342.395 2.910 20 10 EFCDMO CC(=O)c1cc(O)c(O)cc1O[C@@H]1CC[N@H+]([C@@H](C)c2ccccn2)C1 ZINC001234477636 1313136554 /nfs/dbraw/zinc/13/65/54/1313136554.db2.gz UXHGUAVUKVERSJ-GXTWGEPZSA-N 1 1 342.395 2.910 20 10 EFCDMO COc1ccc(O)c([C@H](C)NC(=O)[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000104900567 1295439593 /nfs/dbraw/zinc/43/95/93/1295439593.db2.gz VZERDEDFVOUQTO-SCLBCKFNSA-N 1 1 328.412 2.881 20 10 EFCDMO COC(=O)C[C@H]1CC[N@@H+](Cc2c(O)ccc3ccc(OC)cc32)C1 ZINC001234569394 1313160602 /nfs/dbraw/zinc/16/06/02/1313160602.db2.gz MIZDCKXQEJUIJQ-CYBMUJFWSA-N 1 1 329.396 2.939 20 10 EFCDMO FC(F)Oc1ccc2c(c1)CCCN2CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000775979621 1295541298 /nfs/dbraw/zinc/54/12/98/1295541298.db2.gz JFQNPNMDTYVGIZ-IYBDPMFKSA-N 1 1 338.398 2.904 20 10 EFCDMO Cc1nc[nH]c1C[NH+]1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001204602850 1313172400 /nfs/dbraw/zinc/17/24/00/1313172400.db2.gz APPLUMIAVJIUAM-UHFFFAOYSA-N 1 1 340.349 2.939 20 10 EFCDMO CC[C@@H](C)N1C[C@]2(CC1=O)COCC[N@@H+](Cc1c(C)cccc1O)C2 ZINC001274301500 1296056496 /nfs/dbraw/zinc/05/64/96/1296056496.db2.gz QRVKQRLYXPGYLI-OXQOHEQNSA-N 1 1 346.471 2.550 20 10 EFCDMO C[C@@]1(CO)C[N@@H+](Cc2cccc(-c3ccccc3)c2O)CC[C@H]1O ZINC001235001490 1313220502 /nfs/dbraw/zinc/22/05/02/1313220502.db2.gz NDOMOTGWTCMYDX-QUCCMNQESA-N 1 1 327.424 2.624 20 10 EFCDMO OC1CCN(c2ccc(CN[C@H]3CC[N@H+]4CCC[C@@H]4C3)cc2F)CC1 ZINC000305358482 1296163233 /nfs/dbraw/zinc/16/32/33/1296163233.db2.gz SMIFMJDVPFFWEK-DLBZAZTESA-N 1 1 347.478 2.503 20 10 EFCDMO COc1ccc(C[NH2+]C[C@@H]2CCCCN2C(=O)c2ccn[nH]2)cc1C ZINC000959895695 1296204816 /nfs/dbraw/zinc/20/48/16/1296204816.db2.gz XIJWNYMPTFTUQF-INIZCTEOSA-N 1 1 342.443 2.511 20 10 EFCDMO Cc1ncsc1CN1C[C@@H]2CC[N@@H+](Cc3ccccc3O)[C@@H]2C1 ZINC001275267104 1296246619 /nfs/dbraw/zinc/24/66/19/1296246619.db2.gz KDMFARRKIKMMIE-GOEBONIOSA-N 1 1 329.469 2.863 20 10 EFCDMO Oc1ccccc1C[N@@H+]1C[C@H]2CN(CCCC(F)(F)F)C[C@@H](C1)O2 ZINC001275266926 1296246688 /nfs/dbraw/zinc/24/66/88/1296246688.db2.gz GKJSAMWUIBGINK-GASCZTMLSA-N 1 1 344.377 2.620 20 10 EFCDMO CC(C)NC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1O)C2 ZINC001275267446 1296247464 /nfs/dbraw/zinc/24/74/64/1296247464.db2.gz OREMNFPHPAZWSP-LJQANCHMSA-N 1 1 331.460 2.798 20 10 EFCDMO C[NH+](C)CCN1CCC[C@]2(CCC[N@@H+](Cc3ccccc3O)C2)C1 ZINC001275266780 1296247719 /nfs/dbraw/zinc/24/77/19/1296247719.db2.gz DZERXQWRBHPGQJ-FQEVSTJZSA-N 1 1 331.504 2.632 20 10 EFCDMO C[C@@H]1C[N@H+](C)[C@@H](C)CN1Cc1cc(Br)cc(F)c1O ZINC001235058640 1313233903 /nfs/dbraw/zinc/23/39/03/1313233903.db2.gz PIFRSNQAYCMBEN-VHSXEESVSA-N 1 1 331.229 2.818 20 10 EFCDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1Cc1cc(Br)cc(F)c1O ZINC001235058640 1313233907 /nfs/dbraw/zinc/23/39/07/1313233907.db2.gz PIFRSNQAYCMBEN-VHSXEESVSA-N 1 1 331.229 2.818 20 10 EFCDMO C[N@@H+]1C[C@@H]2CCCN(Cc3cc(Br)cc(F)c3O)[C@@H]2C1 ZINC001235068395 1313235135 /nfs/dbraw/zinc/23/51/35/1313235135.db2.gz GGWSLGMOICRKBP-IINYFYTJSA-N 1 1 343.240 2.820 20 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EFCDMO CS[C@@H]1CC[C@@H]([N@@H+](C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC001322156269 1329433580 /nfs/dbraw/zinc/43/35/80/1329433580.db2.gz BXYHRDDOPLNOOS-QZTJIDSGSA-N 1 1 349.544 2.927 20 10 EFCDMO c1cc(N2CCCC2)ccc1CN1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC001323285809 1329530806 /nfs/dbraw/zinc/53/08/06/1329530806.db2.gz LBJMXHWMMFMUQQ-NRFANRHFSA-N 1 1 343.515 2.974 20 10 EFCDMO c1cc(N2CCCC2)ccc1C[N@H+]1CCCN(C[C@@H]2CCCO2)CC1 ZINC001323285809 1329530807 /nfs/dbraw/zinc/53/08/07/1329530807.db2.gz LBJMXHWMMFMUQQ-NRFANRHFSA-N 1 1 343.515 2.974 20 10 EFCDMO c1cc(N2CCCC2)ccc1C[N@@H+]1CCCN(C[C@@H]2CCCO2)CC1 ZINC001323285809 1329530810 /nfs/dbraw/zinc/53/08/10/1329530810.db2.gz LBJMXHWMMFMUQQ-NRFANRHFSA-N 1 1 343.515 2.974 20 10 EFCDMO CCOc1ccc(O)c(C[N@H+]2CCCN(Cc3cc(C)on3)CC2)c1 ZINC001324743872 1329655401 /nfs/dbraw/zinc/65/54/01/1329655401.db2.gz NWSUNWJYMDTKNX-UHFFFAOYSA-N 1 1 345.443 2.795 20 10 EFCDMO COc1ccc(NCc2ccc(N3CC[NH+](C)CC3)c(F)c2)cc1N ZINC001325628417 1329702188 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CCCN(C(=O)NCc1ccc(N2CC=CC2)cc1)[C@H]1CC[N@@H+](C)C1 ZINC001332086602 1330915857 /nfs/dbraw/zinc/91/58/57/1330915857.db2.gz BPSMXFHNPWRIPU-IBGZPJMESA-N 1 1 342.487 2.689 20 10 EFCDMO O=C1CCCCN1CC1CC[NH+](Cc2cc(F)cc(F)c2O)CC1 ZINC001332692715 1331003453 /nfs/dbraw/zinc/00/34/53/1331003453.db2.gz XRXVXIHNJXLZCT-UHFFFAOYSA-N 1 1 338.398 2.895 20 10 EFCDMO COc1ccc(C[N@H+]2CCCC[C@@H]2c2ccnn2C)c(O)c1OC ZINC001334268637 1331275097 /nfs/dbraw/zinc/27/50/97/1331275097.db2.gz ALOREUMRBWLUGS-OAHLLOKOSA-N 1 1 331.416 2.870 20 10 EFCDMO Nc1ccc(C[N@H+]2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)cc1 ZINC001334774026 1331305332 /nfs/dbraw/zinc/30/53/32/1331305332.db2.gz CJPBVUZAGRVGBA-KRWDZBQOSA-N 1 1 328.391 2.804 20 10 EFCDMO Nc1ccc(C[N@@H+](CCO)Cc2cnn(Cc3ccccc3)c2)cc1 ZINC001334774816 1331305545 /nfs/dbraw/zinc/30/55/45/1331305545.db2.gz OYYDQWMNVRAXKF-UHFFFAOYSA-N 1 1 336.439 2.508 20 10 EFCDMO CC[C@@H](F)C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC001335855977 1331410805 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CCc1cccc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1O ZINC000848888833 1334962768 /nfs/dbraw/zinc/96/27/68/1334962768.db2.gz ZSVSGORAWOFWDW-HNNXBMFYSA-N 1 1 342.399 2.944 20 10 EFCDMO CCc1cccc(C[NH2+]C2CCN([C@@H]3CCCC[C@@H]3O)CC2)c1O ZINC000848899985 1334972548 /nfs/dbraw/zinc/97/25/48/1334972548.db2.gz WIACSLXFQUVSGG-MOPGFXCFSA-N 1 1 332.488 2.812 20 10 EFCDMO CC1(C)C(=O)N[C@@H]1C1CC[NH+](Cc2cc(Cl)c(F)cc2O)CC1 ZINC000848921473 1334987634 /nfs/dbraw/zinc/98/76/34/1334987634.db2.gz SHIIEQVESMMBOZ-OAHLLOKOSA-N 1 1 340.826 2.921 20 10 EFCDMO Nc1ccc(CNC(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001356571314 1335054556 /nfs/dbraw/zinc/05/45/56/1335054556.db2.gz QSBJMMWJVOKAJG-LJQANCHMSA-N 1 1 338.455 2.733 20 10 EFCDMO COC(=O)C[C@H]1CSCC[N@H+]1Cc1cc2c(cc1O)CCCC2 ZINC000160283035 713491470 /nfs/dbraw/zinc/49/14/70/713491470.db2.gz KPKWCXHHLFSHNM-INIZCTEOSA-N 1 1 335.469 2.752 20 10 EFCDMO O=C(N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)c1cc[nH]c1 ZINC000134263850 714286083 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EFCDMO COC(=O)C[C@H]1C[N@H+](Cc2cc(C)cc(C(C)(C)C)c2O)CCO1 ZINC000176131832 715171329 /nfs/dbraw/zinc/17/13/29/715171329.db2.gz QEVPCHFFJOIAQO-HNNXBMFYSA-N 1 1 335.444 2.762 20 10 EFCDMO COC(=O)C[C@H]1C[N@@H+](Cc2cc(C)cc(C(C)(C)C)c2O)CCO1 ZINC000176131832 715171330 /nfs/dbraw/zinc/17/13/30/715171330.db2.gz QEVPCHFFJOIAQO-HNNXBMFYSA-N 1 1 335.444 2.762 20 10 EFCDMO CC1(C)CC[N@@H+](CCNC(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000892003791 715217056 /nfs/dbraw/zinc/21/70/56/715217056.db2.gz DZDVRGMFVYNJOY-UHFFFAOYSA-N 1 1 344.503 2.818 20 10 EFCDMO CCN(CC)c1ccc(CNC(=O)N(C)[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000892133145 715267993 /nfs/dbraw/zinc/26/79/93/715267993.db2.gz IXTAQUITEOFMKQ-SFHVURJKSA-N 1 1 332.492 2.768 20 10 EFCDMO CCC[N@@H+](Cc1ccc(N(CC)CC)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000161115412 715279680 /nfs/dbraw/zinc/27/96/80/715279680.db2.gz SURYLPRKADMDOB-SFHVURJKSA-N 1 1 338.517 2.932 20 10 EFCDMO COc1ccc(C[N@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)c(O)c1OC ZINC000892223234 715373303 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20 10 EFCDMO Cc1cc(N(C)C)ccc1CNCC1([NH+]2CCCC2)CCOCC1 ZINC000840933034 717474275 /nfs/dbraw/zinc/47/42/75/717474275.db2.gz WYLITCOYILEKGM-UHFFFAOYSA-N 1 1 331.504 2.796 20 10 EFCDMO CCCC[N@@H+](CCO)Cc1cc(Br)cc(OC)c1O ZINC000305732736 724542103 /nfs/dbraw/zinc/54/21/03/724542103.db2.gz NWIVKUYYURUHTQ-UHFFFAOYSA-N 1 1 332.238 2.758 20 10 EFCDMO CN(C)c1ccc(C[NH2+]Cc2cn(Cc3ccccc3)nn2)cc1F ZINC000892737355 719091565 /nfs/dbraw/zinc/09/15/65/719091565.db2.gz BUCZRJNUUUDNEK-UHFFFAOYSA-N 1 1 339.418 2.821 20 10 EFCDMO CCc1nn(C)cc1C[N@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000179826301 719855356 /nfs/dbraw/zinc/85/53/56/719855356.db2.gz HWHARQFSMCQKAC-UHFFFAOYSA-N 1 1 328.460 2.703 20 10 EFCDMO COc1cc(Br)cc(C[N@H+]2CCC[C@@H](CO)[C@H]2C)c1O ZINC000840980406 720037824 /nfs/dbraw/zinc/03/78/24/720037824.db2.gz ZCYFWXFEBKOTQV-MNOVXSKESA-N 1 1 344.249 2.756 20 10 EFCDMO COc1cc(Br)cc(C[N@H+]2CCC[C@@H](CO)[C@@H]2C)c1O ZINC000840980407 720037838 /nfs/dbraw/zinc/03/78/38/720037838.db2.gz 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CC[C@H](C)c1nnc([C@H](C)[NH2+]Cc2ccc(OC)c(OC)c2O)[nH]1 ZINC000894010960 720212098 /nfs/dbraw/zinc/21/20/98/720212098.db2.gz YSXJHAABBTVXOH-QWRGUYRKSA-N 1 1 334.420 2.892 20 10 EFCDMO COC(=O)C[C@@H]1CCC[N@H+]1Cc1cc(Br)cc(F)c1[O-] ZINC000894049038 720248492 /nfs/dbraw/zinc/24/84/92/720248492.db2.gz CUOGOKTYDWSEFR-NSHDSACASA-N 1 1 346.196 2.821 20 10 EFCDMO NC(=O)N=Nc1ccc(C(=O)NC[C@H]2CCC[N@H+]2CCC2CC2)cc1 ZINC001028339975 720394633 /nfs/dbraw/zinc/39/46/33/720394633.db2.gz GXMAQJXEEVGCHL-MRXNPFEDSA-N 1 1 343.431 2.843 20 10 EFCDMO COC(=O)[C@@H]1C[N@@H+](Cc2cc(F)ccc2O)C[C@H]1c1ccc(O)cc1 ZINC000296033641 720403803 /nfs/dbraw/zinc/40/38/03/720403803.db2.gz NODPLNUCNWJPCA-DLBZAZTESA-N 1 1 345.370 2.626 20 10 EFCDMO CC1(C)[NH2+]CC[C@H]1NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000925577379 720470972 /nfs/dbraw/zinc/47/09/72/720470972.db2.gz NOJFKXSPQIGANF-MRXNPFEDSA-N 1 1 339.430 2.987 20 10 EFCDMO CC[C@@H](F)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001028344862 720530508 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NC(=O)N=Nc1ccc(C(=O)NC[C@H]2CC[N@@H+](CCC3CC3)C2)cc1 ZINC001029013534 722638125 /nfs/dbraw/zinc/63/81/25/722638125.db2.gz CBNAXYDJWHDYJX-CQSZACIVSA-N 1 1 343.431 2.701 20 10 EFCDMO CC[C@@H](F)C[N@H+]1CC[C@@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001029013968 722639032 /nfs/dbraw/zinc/63/90/32/722639032.db2.gz MSUBJIFGWIKGFW-GXTWGEPZSA-N 1 1 349.410 2.649 20 10 EFCDMO CC[C@H](F)C[N@H+]1CC[C@@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001029013969 722639066 /nfs/dbraw/zinc/63/90/66/722639066.db2.gz MSUBJIFGWIKGFW-JSGCOSHPSA-N 1 1 349.410 2.649 20 10 EFCDMO COc1ccc(C[N@H+]2CCC[C@](O)(C(F)(F)F)CC2)c(O)c1OC ZINC000894419866 722731521 /nfs/dbraw/zinc/73/15/21/722731521.db2.gz VPLGZIPVPKYWQE-OAHLLOKOSA-N 1 1 349.349 2.689 20 10 EFCDMO C[S@](=O)C[C@H]([NH2+]Cc1cc(F)cc(F)c1O)c1ccccc1 ZINC000894424121 722732685 /nfs/dbraw/zinc/73/26/85/722732685.db2.gz BJWQWIPYKDLZTB-NYHFZMIOSA-N 1 1 325.380 2.880 20 10 EFCDMO COc1ccc(C[N@@H+](C)CCCN(C)Cc2ccco2)c(O)c1OC ZINC000894434437 722736512 /nfs/dbraw/zinc/73/65/12/722736512.db2.gz ATSOEXLGTSHCMP-UHFFFAOYSA-N 1 1 348.443 2.956 20 10 EFCDMO Cc1nnc([C@@H](C)[NH2+]Cc2cc(Br)cc(C)c2O)[nH]1 ZINC000894772128 722839941 /nfs/dbraw/zinc/83/99/41/722839941.db2.gz FQXJLWAQZSKVAS-MRVPVSSYSA-N 1 1 325.210 2.740 20 10 EFCDMO NC(=O)[C@]1(c2ccccc2)CC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000895000618 723048580 /nfs/dbraw/zinc/04/85/80/723048580.db2.gz JMPJLYBBRJKVDA-GOSISDBHSA-N 1 1 348.805 2.814 20 10 EFCDMO NC(=O)[C@]1(c2ccccc2)CC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000895000618 723048581 /nfs/dbraw/zinc/04/85/81/723048581.db2.gz JMPJLYBBRJKVDA-GOSISDBHSA-N 1 1 348.805 2.814 20 10 EFCDMO Cc1nnc([C@@H]2CC[N@@H+](Cc3ccc(Br)cc3O)C2)[nH]1 ZINC000895013096 723050210 /nfs/dbraw/zinc/05/02/10/723050210.db2.gz XYUZMJVHSKSERW-LLVKDONJSA-N 1 1 337.221 2.571 20 10 EFCDMO Cc1n[nH]c([C@@H]2CC[N@H+](Cc3ccc(Br)cc3O)C2)n1 ZINC000895013096 723050211 /nfs/dbraw/zinc/05/02/11/723050211.db2.gz XYUZMJVHSKSERW-LLVKDONJSA-N 1 1 337.221 2.571 20 10 EFCDMO Cc1n[nH]c([C@@H]2CC[N@@H+](Cc3ccc(Br)cc3O)C2)n1 ZINC000895013096 723050213 /nfs/dbraw/zinc/05/02/13/723050213.db2.gz XYUZMJVHSKSERW-LLVKDONJSA-N 1 1 337.221 2.571 20 10 EFCDMO CC(=O)NC[C@H]1CCC[N@@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000067382634 723139217 /nfs/dbraw/zinc/13/92/17/723139217.db2.gz LJIIPOHGPBWVCC-CQSZACIVSA-N 1 1 334.460 2.743 20 10 EFCDMO COc1cc(O)c(C[N@@H+](C)CCN(C)c2ccccc2)cc1OC ZINC000160162236 723174180 /nfs/dbraw/zinc/17/41/80/723174180.db2.gz LCMASEPGMHXUKZ-UHFFFAOYSA-N 1 1 330.428 2.978 20 10 EFCDMO COc1ccc(N(C)CC[N@@H+](C)Cc2ccc3oc(=O)oc3c2)cc1 ZINC000895137287 723428316 /nfs/dbraw/zinc/42/83/16/723428316.db2.gz MGLURYQRPMVLJQ-UHFFFAOYSA-N 1 1 342.395 2.963 20 10 EFCDMO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCC[C@@H]2C2CCC2)cc1 ZINC000728387897 723988705 /nfs/dbraw/zinc/98/87/05/723988705.db2.gz RBBSERXONFTILB-LJQANCHMSA-N 1 1 329.488 2.976 20 10 EFCDMO COc1c(O)c(C[NH2+]Cc2cccc3c2OCC3)ccc1[N+](=O)[O-] ZINC000897206663 724078287 /nfs/dbraw/zinc/07/82/87/724078287.db2.gz OTIFEHVPMBBXLT-UHFFFAOYSA-N 1 1 330.340 2.534 20 10 EFCDMO COc1cc(O)c(CN2CCCC[C@H]2[C@@H](C)C[NH+](C)C)cc1OC ZINC000895379308 724090065 /nfs/dbraw/zinc/09/00/65/724090065.db2.gz UBUWTLPRFOCYBR-HOCLYGCPSA-N 1 1 336.476 2.962 20 10 EFCDMO COc1cc(O)c(C[N@@H+]2CCCC[C@H]2[C@@H](C)CN(C)C)cc1OC ZINC000895379308 724090067 /nfs/dbraw/zinc/09/00/67/724090067.db2.gz UBUWTLPRFOCYBR-HOCLYGCPSA-N 1 1 336.476 2.962 20 10 EFCDMO COc1cc(O)c(C[N@H+]2CCCC[C@H]2[C@@H](C)CN(C)C)cc1OC ZINC000895379308 724090071 /nfs/dbraw/zinc/09/00/71/724090071.db2.gz UBUWTLPRFOCYBR-HOCLYGCPSA-N 1 1 336.476 2.962 20 10 EFCDMO COc1ccc(CN2CCCC[C@H]2[C@H](C)C[NH+](C)C)c(O)c1OC ZINC000895508082 724163956 /nfs/dbraw/zinc/16/39/56/724163956.db2.gz DXDVRVLZLVFTIK-ZBFHGGJFSA-N 1 1 336.476 2.962 20 10 EFCDMO COc1ccc(C[N@@H+]2CCCC[C@H]2[C@H](C)CN(C)C)c(O)c1OC ZINC000895508082 724163957 /nfs/dbraw/zinc/16/39/57/724163957.db2.gz DXDVRVLZLVFTIK-ZBFHGGJFSA-N 1 1 336.476 2.962 20 10 EFCDMO COc1ccc(C[N@H+]2CCCC[C@H]2[C@H](C)CN(C)C)c(O)c1OC ZINC000895508082 724163959 /nfs/dbraw/zinc/16/39/59/724163959.db2.gz DXDVRVLZLVFTIK-ZBFHGGJFSA-N 1 1 336.476 2.962 20 10 EFCDMO COc1ccc(C2=NO[C@@H](C[NH2+]Cc3cc(F)cc(F)c3O)C2)cc1 ZINC000895497799 724169503 /nfs/dbraw/zinc/16/95/03/724169503.db2.gz KMPHPPSMAMNNQV-OAHLLOKOSA-N 1 1 348.349 2.962 20 10 EFCDMO CCCC[C@@H](C(=O)OC)[N@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000727585402 724184976 /nfs/dbraw/zinc/18/49/76/724184976.db2.gz AIHQDNGEGMENDX-SFHVURJKSA-N 1 1 334.460 2.939 20 10 EFCDMO C[C@@H](NC(=O)[C@@H]1CC[N@H+]1C(C)(C)C)c1ccc(N2CCOCC2)cc1 ZINC000895895339 724372114 /nfs/dbraw/zinc/37/21/14/724372114.db2.gz UHMJZNYODAFHAT-QAPCUYQASA-N 1 1 345.487 2.573 20 10 EFCDMO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)c1 ZINC000089125728 724855340 /nfs/dbraw/zinc/85/53/40/724855340.db2.gz KEYBUTOKFBAHFW-DLBZAZTESA-N 1 1 335.444 2.775 20 10 EFCDMO CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)c1 ZINC000089125728 724855342 /nfs/dbraw/zinc/85/53/42/724855342.db2.gz KEYBUTOKFBAHFW-DLBZAZTESA-N 1 1 335.444 2.775 20 10 EFCDMO COc1cccc(C[N@@H+](C)C[C@@H]2CCN2C(=O)OC(C)(C)C)c1O ZINC000897405904 725012851 /nfs/dbraw/zinc/01/28/51/725012851.db2.gz NKHDSAXCVNRFJV-AWEZNQCLSA-N 1 1 336.432 2.842 20 10 EFCDMO CC(C)(C)OC(=O)NOCCC[NH2+]Cc1cc(F)cc(F)c1O ZINC000897425169 725537382 /nfs/dbraw/zinc/53/73/82/725537382.db2.gz KOWXMFDWGWNRPS-UHFFFAOYSA-N 1 1 332.347 2.606 20 10 EFCDMO CCC[N@H+]1CC[C@]2(NC(=O)c3ccc(N=NC(N)=O)cc3)CCC[C@@H]12 ZINC000992546533 725956314 /nfs/dbraw/zinc/95/63/14/725956314.db2.gz KBSFKIZFFGNNGE-CRAIPNDOSA-N 1 1 343.431 2.986 20 10 EFCDMO C[NH+](Cc1cccc(Br)c1[O-])C[C@H]1CCC[N@H+](C)C1 ZINC000092253705 726073106 /nfs/dbraw/zinc/07/31/06/726073106.db2.gz RSUGHGQOBWFKRP-LBPRGKRZSA-N 1 1 327.266 2.928 20 10 EFCDMO C[NH+](Cc1cccc(Br)c1[O-])C[C@H]1CCC[N@@H+](C)C1 ZINC000092253705 726073108 /nfs/dbraw/zinc/07/31/08/726073108.db2.gz RSUGHGQOBWFKRP-LBPRGKRZSA-N 1 1 327.266 2.928 20 10 EFCDMO C[N@H+](Cc1cccc(Br)c1[O-])C[C@@H]1CCC[NH+](C)C1 ZINC000092253706 726073064 /nfs/dbraw/zinc/07/30/64/726073064.db2.gz RSUGHGQOBWFKRP-GFCCVEGCSA-N 1 1 327.266 2.928 20 10 EFCDMO C[NH+](Cc1cccc(Br)c1[O-])C[C@@H]1CCC[N@H+](C)C1 ZINC000092253706 726073067 /nfs/dbraw/zinc/07/30/67/726073067.db2.gz RSUGHGQOBWFKRP-GFCCVEGCSA-N 1 1 327.266 2.928 20 10 EFCDMO C[NH+](Cc1cccc(Br)c1[O-])C[C@@H]1CCC[N@@H+](C)C1 ZINC000092253706 726073069 /nfs/dbraw/zinc/07/30/69/726073069.db2.gz RSUGHGQOBWFKRP-GFCCVEGCSA-N 1 1 327.266 2.928 20 10 EFCDMO C[N@H+](Cc1cccc(Br)c1[O-])C[C@H]1CCC[NH+](C)C1 ZINC000092253705 726073103 /nfs/dbraw/zinc/07/31/03/726073103.db2.gz RSUGHGQOBWFKRP-LBPRGKRZSA-N 1 1 327.266 2.928 20 10 EFCDMO C[C@H]1CCC[N@H+]1CCNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000897478370 726262649 /nfs/dbraw/zinc/26/26/49/726262649.db2.gz RRMYIMGKJCAQBC-INIZCTEOSA-N 1 1 344.503 2.911 20 10 EFCDMO CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000729343875 726317825 /nfs/dbraw/zinc/31/78/25/726317825.db2.gz GZGKYDSCJGPDGV-VQIMIIECSA-N 1 1 345.487 2.575 20 10 EFCDMO C[N@H+](CCCS(=O)(=O)c1ccc(F)cc1)Cc1ccccc1O ZINC000731843048 726941316 /nfs/dbraw/zinc/94/13/16/726941316.db2.gz POGKDYDPWCBZKT-UHFFFAOYSA-N 1 1 337.416 2.827 20 10 EFCDMO C[N@@H+](CCCS(=O)(=O)c1ccc(F)cc1)Cc1ccccc1O ZINC000731843048 726941321 /nfs/dbraw/zinc/94/13/21/726941321.db2.gz POGKDYDPWCBZKT-UHFFFAOYSA-N 1 1 337.416 2.827 20 10 EFCDMO Cc1ccc(NCCNC(=O)NCc2ccc(N(C)C)c(F)c2)[nH+]c1 ZINC000915366747 726964279 /nfs/dbraw/zinc/96/42/79/726964279.db2.gz SCQRTEAWQIOTJJ-UHFFFAOYSA-N 1 1 345.422 2.506 20 10 EFCDMO C[N@H+]1CCCN(c2ccc(NC(=O)C3=CC(=O)CS3)cc2)CC1 ZINC000732272911 727013561 /nfs/dbraw/zinc/01/35/61/727013561.db2.gz SBZSFYBDHVNQPF-UHFFFAOYSA-N 1 1 331.441 2.848 20 10 EFCDMO C[C@H](CNC(=O)NCc1ccc(N(C)C)cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000915698767 727120080 /nfs/dbraw/zinc/12/00/80/727120080.db2.gz YKLXMFRMAWWUND-HZPDHXFCSA-N 1 1 332.492 2.672 20 10 EFCDMO C[N@H+]1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC12CCCCC2 ZINC000908573901 727219173 /nfs/dbraw/zinc/21/91/73/727219173.db2.gz VKWDBSSPXBXRBD-VURMDHGXSA-N 1 1 330.428 2.588 20 10 EFCDMO CN(C)c1ccc(CN(CC(F)(F)F)C(=O)C[NH+]2CCCC2)cc1 ZINC000912107891 727654729 /nfs/dbraw/zinc/65/47/29/727654729.db2.gz XVIDKRAGIZMLEY-UHFFFAOYSA-N 1 1 343.393 2.739 20 10 EFCDMO Cc1cc(C(=O)CN2CCC[N@H+](C)CC2)c(C)n1-c1ccccc1 ZINC000916644903 727713610 /nfs/dbraw/zinc/71/36/10/727713610.db2.gz BIJPHEHTJDRZJI-UHFFFAOYSA-N 1 1 325.456 2.914 20 10 EFCDMO CCC[N@H+]1CCC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)[C@@H]1C ZINC000994497182 727771944 /nfs/dbraw/zinc/77/19/44/727771944.db2.gz QJMIOJYZSVGYEL-WFASDCNBSA-N 1 1 331.420 2.842 20 10 EFCDMO CC[N@H+](CCS(C)(=O)=O)Cc1cc(C)cc(C(C)(C)C)c1O ZINC000156937539 727995904 /nfs/dbraw/zinc/99/59/04/727995904.db2.gz OSPPMHPULUSXKO-UHFFFAOYSA-N 1 1 327.490 2.865 20 10 EFCDMO CC[N@@H+](CCS(C)(=O)=O)Cc1cc(C)cc(C(C)(C)C)c1O ZINC000156937539 727995905 /nfs/dbraw/zinc/99/59/05/727995905.db2.gz OSPPMHPULUSXKO-UHFFFAOYSA-N 1 1 327.490 2.865 20 10 EFCDMO COc1ccc2ccc(O)c(C[N@@H+](C)C[C@H]3CCN(C(C)=O)C3)c2c1 ZINC000165143930 728018390 /nfs/dbraw/zinc/01/83/90/728018390.db2.gz NYWQZMSJMOZQQH-OAHLLOKOSA-N 1 1 342.439 2.854 20 10 EFCDMO CC[N@H+]1CCCC[C@H]1CNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000171836367 728555376 /nfs/dbraw/zinc/55/53/76/728555376.db2.gz GRZRQHBWTMUGHJ-IBGZPJMESA-N 1 1 344.503 2.960 20 10 EFCDMO Cc1cc(O)c(C[N@H+]2CC[C@H](CN3CCOCC3)C2)cc1C(C)C ZINC000172934529 728611056 /nfs/dbraw/zinc/61/10/56/728611056.db2.gz DPOCFBLVLWPLCO-QGZVFWFLSA-N 1 1 332.488 2.978 20 10 EFCDMO OC[C@H](Cc1ccccc1)[NH2+]Cc1cccc(Br)c1O ZINC000063219114 728615902 /nfs/dbraw/zinc/61/59/02/728615902.db2.gz BEWNTWRPVZOHNL-AWEZNQCLSA-N 1 1 336.229 2.848 20 10 EFCDMO COc1ccc(O)c(C[N@@H+]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)c1 ZINC000180194363 729707182 /nfs/dbraw/zinc/70/71/82/729707182.db2.gz HKYWCERFQSERAI-ZDUSSCGKSA-N 1 1 336.432 2.842 20 10 EFCDMO COc1ccc(O)c(C[N@H+]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)c1 ZINC000180194363 729707186 /nfs/dbraw/zinc/70/71/86/729707186.db2.gz HKYWCERFQSERAI-ZDUSSCGKSA-N 1 1 336.432 2.842 20 10 EFCDMO COc1cc(O)c(C[N@@H+](CCO)[C@H]2CCc3ccccc32)cc1OC ZINC000180242430 729714309 /nfs/dbraw/zinc/71/43/09/729714309.db2.gz NERFWCPVHFCDOH-KRWDZBQOSA-N 1 1 343.423 2.891 20 10 EFCDMO C[C@@H]1Cc2cc(CNC[C@@H]([NH3+])c3ccc(N(C)C)cc3)ccc2O1 ZINC001576861169 1089493178 /nfs/dbraw/zinc/49/31/78/1089493178.db2.gz BUSSBAQNZISFDO-AUUYWEPGSA-N 1 1 325.456 2.866 20 10 EFCDMO CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@H]1[NH2+]CCc2occc21 ZINC001578489676 1090384406 /nfs/dbraw/zinc/38/44/06/1090384406.db2.gz FWFVTQAZOMCOEQ-IBGZPJMESA-N 1 1 339.439 2.725 20 10 EFCDMO [NH3+][C@H](C[NH2+]Cc1cccc(Br)c1[O-])CC(F)(F)F ZINC001580132983 1090784513 /nfs/dbraw/zinc/78/45/13/1090784513.db2.gz SMVIYNHIHPFWBL-QMMMGPOBSA-N 1 1 327.144 2.524 20 10 EFCDMO O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H]1[NH2+]CC12CCCC2 ZINC001580707893 1090989770 /nfs/dbraw/zinc/98/97/70/1090989770.db2.gz GIARSIUTGZIAKF-ZDUSSCGKSA-N 1 1 329.227 2.847 20 10 EFCDMO CC(C)(Cc1ccc(-c2nn[nH]n2)cc1)[NH2+]Cc1cccc(F)c1O ZINC001589307232 1093069688 /nfs/dbraw/zinc/06/96/88/1093069688.db2.gz MNBAQQOFFKDJHY-UHFFFAOYSA-N 1 1 341.390 2.822 20 10 EFCDMO C[C@H]([NH2+][C@@H]1Cc2ccc(-c3nn[nH]n3)cc2C1)c1ccc(F)cc1O ZINC001589959637 1093197160 /nfs/dbraw/zinc/19/71/60/1093197160.db2.gz ZWVDDPYXQJBTEB-ZUZCIYMTSA-N 1 1 339.374 2.529 20 10 EFCDMO CCN(C)c1ccc(C[N@@H+]2Cc3cccc(-c4nn[nH]n4)c3C2)cc1 ZINC001590678696 1093545943 /nfs/dbraw/zinc/54/59/43/1093545943.db2.gz CWSSEXMZSLOCNC-UHFFFAOYSA-N 1 1 334.427 2.839 20 10 EFCDMO CCN(C)c1ccc(C[N@H+]2Cc3cccc(-c4nn[nH]n4)c3C2)cc1 ZINC001590678696 1093545950 /nfs/dbraw/zinc/54/59/50/1093545950.db2.gz CWSSEXMZSLOCNC-UHFFFAOYSA-N 1 1 334.427 2.839 20 10 EFCDMO CCN(C)c1ccc(C[N@@H+](C)Cc2cccc(-c3nn[nH]n3)c2)cc1 ZINC001590678711 1093546113 /nfs/dbraw/zinc/54/61/13/1093546113.db2.gz DOHGJMGESYBPAD-UHFFFAOYSA-N 1 1 336.443 2.955 20 10 EFCDMO Cc1cc(C[N@@H+](C)Cc2cc(-c3nn[nH]n3)cs2)ccc1N(C)C ZINC001591961551 1093934829 /nfs/dbraw/zinc/93/48/29/1093934829.db2.gz RCQCFBBRDIBKPZ-UHFFFAOYSA-N 1 1 342.472 2.935 20 10 EFCDMO CC[C@@H]([NH2+]CCc1ccc(-c2nn[nH]n2)cc1)c1ccc(F)cc1O ZINC001604060736 1096715134 /nfs/dbraw/zinc/71/51/34/1096715134.db2.gz IVPKETHFRVEMOW-MRXNPFEDSA-N 1 1 341.390 2.995 20 10 EFCDMO Cc1ccc(C)n1-c1ccc(-c2noc(C[N@@H+]3CC[C@H](O)C3)n2)cc1 ZINC001211789436 1097057962 /nfs/dbraw/zinc/05/79/62/1097057962.db2.gz RXYPSMKPTGXLDF-KRWDZBQOSA-N 1 1 338.411 2.711 20 10 EFCDMO Cc1ccc(C)n1-c1ccc(-c2noc(C[N@H+]3CC[C@H](O)C3)n2)cc1 ZINC001211789436 1097057967 /nfs/dbraw/zinc/05/79/67/1097057967.db2.gz RXYPSMKPTGXLDF-KRWDZBQOSA-N 1 1 338.411 2.711 20 10 EFCDMO C[N@H+]1CCC[C@@]2(CCCN(C(=O)c3cc4cc(O)c(O)cc4[nH]3)C2)C1 ZINC001269476663 1098168536 /nfs/dbraw/zinc/16/85/36/1098168536.db2.gz KJBMGVGLQBGKKW-LJQANCHMSA-N 1 1 343.427 2.527 20 10 EFCDMO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000840107178 1100828373 /nfs/dbraw/zinc/82/83/73/1100828373.db2.gz CTPINXWJSWDSJY-GOEBONIOSA-N 1 1 347.418 2.721 20 10 EFCDMO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000840310242 1100993479 /nfs/dbraw/zinc/99/34/79/1100993479.db2.gz QPHPQCDHORTENM-LZLYRXPVSA-N 1 1 346.519 2.774 20 10 EFCDMO CN1CCN(c2ccc(CNc3ccc(C4([NH3+])CC4)cc3)cc2)CC1 ZINC001167434470 1101662242 /nfs/dbraw/zinc/66/22/42/1101662242.db2.gz LPWHFTDGJMJITE-UHFFFAOYSA-N 1 1 336.483 2.998 20 10 EFCDMO COCCNC(=O)C1([NH2+][C@H](C)c2cc(Cl)c(Cl)cc2O)CC1 ZINC000840822674 1101752248 /nfs/dbraw/zinc/75/22/48/1101752248.db2.gz NWLJJMNGCAGJOV-SECBINFHSA-N 1 1 347.242 2.645 20 10 EFCDMO COc1cc(Br)cc(CNCC2([NH3+])CCCCC2)c1O ZINC000841039668 1102867773 /nfs/dbraw/zinc/86/77/73/1102867773.db2.gz YMDLZLFWZRHNBQ-UHFFFAOYSA-N 1 1 343.265 2.915 20 10 EFCDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@H](Cc3nc(C)no3)C2)c1 ZINC000897579305 1105777864 /nfs/dbraw/zinc/77/78/64/1105777864.db2.gz TUMILTHGMFUDHV-CQSZACIVSA-N 1 1 331.416 2.937 20 10 EFCDMO COc1cc(C[NH+]2CC(N3CCCC3=O)C2)c(O)c(C(C)(C)C)c1 ZINC000897784912 1106094891 /nfs/dbraw/zinc/09/48/91/1106094891.db2.gz MZEOGPNGDNLISA-UHFFFAOYSA-N 1 1 332.444 2.505 20 10 EFCDMO COc1ccc(N2CC[C@@H](CNC(=O)[C@H]3CC[N@H+]3C(C)(C)C)C2)cc1 ZINC000898007868 1106179278 /nfs/dbraw/zinc/17/92/78/1106179278.db2.gz UMMMOLIUJMWZGG-MAUKXSAKSA-N 1 1 345.487 2.511 20 10 EFCDMO COc1ccc(C[N@@H+](CCCO)Cc2cc3c(cc2O)OCO3)cc1 ZINC000898172503 1106259852 /nfs/dbraw/zinc/25/98/52/1106259852.db2.gz LLNJHBRTRVXASE-UHFFFAOYSA-N 1 1 345.395 2.514 20 10 EFCDMO C[C@H]([NH2+]CCc1ccccc1S(C)(=O)=O)c1c(O)cccc1F ZINC000926906009 1107720411 /nfs/dbraw/zinc/72/04/11/1107720411.db2.gz QDBLYTDPVPRVHU-LBPRGKRZSA-N 1 1 337.416 2.828 20 10 EFCDMO O=C1C[C@@]2(CN1C1CCCC1)CCCC[N@@H+]2Cc1cc(O)ccc1O ZINC001272386548 1108151295 /nfs/dbraw/zinc/15/12/95/1108151295.db2.gz MURXMNZUAKYXLW-HXUWFJFHSA-N 1 1 344.455 2.997 20 10 EFCDMO CCCC[N@H+]1CC[C@@]2(CCN(Cc3ccc(N(C)C)cc3)C2=O)C1 ZINC001272469467 1108419742 /nfs/dbraw/zinc/41/97/42/1108419742.db2.gz BABMWABJJYFPFA-HXUWFJFHSA-N 1 1 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ZINC000924709469 1108803682 /nfs/dbraw/zinc/80/36/82/1108803682.db2.gz WPYVHGUZXIMZDJ-XJKSGUPXSA-N 1 1 329.473 2.627 20 10 EFCDMO CN(C)c1ccc([C@@H](CNCc2ccnn2CC2CC2)[NH+](C)C)cc1 ZINC000898448174 1108941500 /nfs/dbraw/zinc/94/15/00/1108941500.db2.gz QHKLRXLPLXRTET-HXUWFJFHSA-N 1 1 341.503 2.752 20 10 EFCDMO COCc1ccc(CNC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)o1 ZINC000898449738 1108943016 /nfs/dbraw/zinc/94/30/16/1108943016.db2.gz JRKMDVJZGCAHKT-IBGZPJMESA-N 1 1 331.460 2.885 20 10 EFCDMO CN(C)c1ccc([C@@H](C[NH2+]C2CCN(C3CC3)CC2)N(C)C)cc1 ZINC000898449333 1108943308 /nfs/dbraw/zinc/94/33/08/1108943308.db2.gz BPZDEFPOUOKITK-HXUWFJFHSA-N 1 1 330.520 2.572 20 10 EFCDMO CN(C)c1ccc([C@H](C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)N(C)C)cc1 ZINC000898450137 1108944329 /nfs/dbraw/zinc/94/43/29/1108944329.db2.gz OGYWDEGGMCDWRT-RLLQIKCJSA-N 1 1 330.520 2.572 20 10 EFCDMO CN(C)c1ccc([C@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)N(C)C)cc1 ZINC000898450137 1108944334 /nfs/dbraw/zinc/94/43/34/1108944334.db2.gz OGYWDEGGMCDWRT-RLLQIKCJSA-N 1 1 330.520 2.572 20 10 EFCDMO CN(C)c1ccc([C@H](CNCc2cn3ccccc3n2)[NH+](C)C)cc1 ZINC000898451837 1108944942 /nfs/dbraw/zinc/94/49/42/1108944942.db2.gz OXSJXJKDKMWHDS-IBGZPJMESA-N 1 1 337.471 2.793 20 10 EFCDMO CN(C)c1ccc([C@@H](CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[NH+](C)C)cc1 ZINC000898448043 1108949098 /nfs/dbraw/zinc/94/90/98/1108949098.db2.gz OLQOTWPPZYTFSU-ZNBHLAFESA-N 1 1 330.520 2.570 20 10 EFCDMO CC(C)n1ccnc1C[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898447441 1108949274 /nfs/dbraw/zinc/94/92/74/1108949274.db2.gz KFBBCOWERKTNAI-SFHVURJKSA-N 1 1 329.492 2.923 20 10 EFCDMO CN(C)c1ccc([C@H](CNCc2ccc(Cl)nn2)[NH+](C)C)cc1 ZINC000898447387 1108949524 /nfs/dbraw/zinc/94/95/24/1108949524.db2.gz JBCJGRLSGRLNNR-INIZCTEOSA-N 1 1 333.867 2.589 20 10 EFCDMO CN(C)c1ccc([C@H](CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[NH+](C)C)cc1 ZINC000898448041 1108949765 /nfs/dbraw/zinc/94/97/65/1108949765.db2.gz OLQOTWPPZYTFSU-QZNYNHHHSA-N 1 1 330.520 2.570 20 10 EFCDMO COCC[N@H+]1CC[C@@H](NC(=O)c2sccc2-n2c(C)ccc2C)C1 ZINC000730785447 1111289984 /nfs/dbraw/zinc/28/99/84/1111289984.db2.gz AXRZPZGWSQNQFT-OAHLLOKOSA-N 1 1 347.484 2.606 20 10 EFCDMO O=C1C[C@@]2(CN1CC(F)(F)F)CCCC[N@@H+]2Cc1ccccc1O ZINC001272618288 1111751833 /nfs/dbraw/zinc/75/18/33/1111751833.db2.gz FFCWHRWBMBXLKO-MRXNPFEDSA-N 1 1 342.361 2.912 20 10 EFCDMO O=C1N(CC(F)F)CC[C@@]12CCC[N@H+](Cc1ccccc1O)CC2 ZINC001272618168 1111752090 /nfs/dbraw/zinc/75/20/90/1111752090.db2.gz CFOJVKUTRIYBOF-SFHVURJKSA-N 1 1 338.398 2.862 20 10 EFCDMO CN1C[C@@H](c2ccccc2)[C@@]2(CC[N@@H+](Cc3ccccc3O)C2)C1=O ZINC001272618648 1111753074 /nfs/dbraw/zinc/75/30/74/1111753074.db2.gz LEIGCXMCSMTKLM-RXVVDRJESA-N 1 1 336.435 2.840 20 10 EFCDMO CC(=O)[C@@H](C)N1CC[C@]2(CCC[N@@H+](Cc3ccccc3O)CC2)C1=O ZINC001272619738 1111755234 /nfs/dbraw/zinc/75/52/34/1111755234.db2.gz ZAZWOIRPLFRDGZ-FOIQADDNSA-N 1 1 344.455 2.574 20 10 EFCDMO Cc1ccc(O)c(C[N@@H+]2CCC[C@]3(CC(=O)N(CC(C)C)C3=O)C2)c1 ZINC001272622452 1111759338 /nfs/dbraw/zinc/75/93/38/1111759338.db2.gz JZZBBFVVKBKSMR-FQEVSTJZSA-N 1 1 344.455 2.698 20 10 EFCDMO CCCCN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1cc(C)ccc1O)C2 ZINC001272622569 1111759421 /nfs/dbraw/zinc/75/94/21/1111759421.db2.gz NTODGDLRZHUAGS-FQEVSTJZSA-N 1 1 346.471 2.552 20 10 EFCDMO Cc1ccc(O)c(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC(F)(F)F)c1 ZINC001272623300 1111760700 /nfs/dbraw/zinc/76/07/00/1111760700.db2.gz ZECUEZAMPFSBBC-ZIAGYGMSSA-N 1 1 342.361 2.828 20 10 EFCDMO CC[C@H](C)N1CC[C@@]2(CC[N@@H+](Cc3ccc(OC)cc3O)C2)C1=O ZINC001272625286 1111764426 /nfs/dbraw/zinc/76/44/26/1111764426.db2.gz JWBROZOTCAYNKF-IFXJQAMLSA-N 1 1 332.444 2.624 20 10 EFCDMO CC[C@@H](C)N1CC[C@]2(CC[N@@H+](Cc3ccc(OC)cc3O)C2)C1=O ZINC001272625287 1111764635 /nfs/dbraw/zinc/76/46/35/1111764635.db2.gz JWBROZOTCAYNKF-KUHUBIRLSA-N 1 1 332.444 2.624 20 10 EFCDMO COc1cccc(C[N@H+]2CCC[C@@]23CCN(CC(C)C)C3=O)c1O ZINC001272625100 1111765633 /nfs/dbraw/zinc/76/56/33/1111765633.db2.gz HWFYFDSDDSYMSO-IBGZPJMESA-N 1 1 332.444 2.624 20 10 EFCDMO CCOc1cccc(C[N@H+]2CCC[C@@]3(CCN(C)C3=O)CC2)c1O ZINC001272625206 1111765798 /nfs/dbraw/zinc/76/57/98/1111765798.db2.gz IOUHFDJBENNIAD-LJQANCHMSA-N 1 1 332.444 2.625 20 10 EFCDMO COc1cccc(C[N@H+]2CCC[C@@]23CCN(C2CCCC2)C3=O)c1O ZINC001272625220 1111766287 /nfs/dbraw/zinc/76/62/87/1111766287.db2.gz ISHBBGOGLFQAJV-FQEVSTJZSA-N 1 1 344.455 2.910 20 10 EFCDMO COc1cccc(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC(C)C)c1O ZINC001272626293 1111768660 /nfs/dbraw/zinc/76/86/60/1111768660.db2.gz VUQOJISENZVNMD-HZPDHXFCSA-N 1 1 332.444 2.622 20 10 EFCDMO COc1cccc(C[N@H+]2CC[C@@]3(CCN(C4CCCC4)C3=O)C2)c1O ZINC001272626462 1111768865 /nfs/dbraw/zinc/76/88/65/1111768865.db2.gz YBRSOJIMFCOICR-HXUWFJFHSA-N 1 1 344.455 2.768 20 10 EFCDMO C[N@@H+](CCC[NH3+])Cc1cc(Br)cc(C(F)(F)F)c1[O-] ZINC001235435527 1111772129 /nfs/dbraw/zinc/77/21/29/1111772129.db2.gz NIIHFCNQBMTGCG-UHFFFAOYSA-N 1 1 341.171 2.954 20 10 EFCDMO O=C1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2cc(Cl)ccc2O)N1CC(F)F ZINC001272638801 1111797714 /nfs/dbraw/zinc/79/77/14/1111797714.db2.gz VNTNMZZGSUXYHN-CHWSQXEVSA-N 1 1 344.789 2.876 20 10 EFCDMO Cc1cc(Br)cc(CN(C)C[C@@H]2CCC[NH2+]C2)c1O ZINC001235957047 1111932832 /nfs/dbraw/zinc/93/28/32/1111932832.db2.gz KCAGBAXQOGCZNG-GFCCVEGCSA-N 1 1 327.266 2.895 20 10 EFCDMO CCc1cc(N2CC=C(CCNC(=O)[C@H]3C[C@@H]3C)CC2)nc(C)[nH+]1 ZINC001089802760 1113039572 /nfs/dbraw/zinc/03/95/72/1113039572.db2.gz VYYOJXPNVSACKF-GUYCJALGSA-N 1 1 328.460 2.646 20 10 EFCDMO CCc1nc(N2CC=C(CCNC(=O)CCSC)CC2)cc(C)[nH+]1 ZINC001089804344 1113043687 /nfs/dbraw/zinc/04/36/87/1113043687.db2.gz FKRYZPHUEPEMHF-UHFFFAOYSA-N 1 1 348.516 2.743 20 10 EFCDMO Cc1cc(N2CC=C(CCNC(=O)/C=C/C3CC3)CC2)nc(C)[nH+]1 ZINC001089817549 1117772250 /nfs/dbraw/zinc/77/22/50/1117772250.db2.gz PVWCCUWPKYGQDW-AATRIKPKSA-N 1 1 326.444 2.702 20 10 EFCDMO Oc1c(CN2CC[NH2+]C2)cc(Br)cc1C(F)(F)F ZINC001236850957 1118224680 /nfs/dbraw/zinc/22/46/80/1118224680.db2.gz PVUOKGQEGPVXTO-UHFFFAOYSA-N 1 1 325.128 2.536 20 10 EFCDMO C[C@@H]1C[C@H]1C[N@H+]1CCC[C@]12CCN(Cc1ccc(N(C)C)cc1)C2=O ZINC001272699263 1118248562 /nfs/dbraw/zinc/24/85/62/1118248562.db2.gz FAXKEVXVUGBBRY-PLMTUMEDSA-N 1 1 341.499 2.976 20 10 EFCDMO Cc1cc(N2CC=C(CCNC(=O)c3cc(F)c[nH]3)CC2)nc(C)[nH+]1 ZINC001089849230 1118299355 /nfs/dbraw/zinc/29/93/55/1118299355.db2.gz ZIFWDIPHCKNYCG-UHFFFAOYSA-N 1 1 343.406 2.517 20 10 EFCDMO Cc1cc(N2CC=C(CCNC(=O)c3ccsn3)CC2)nc(C)[nH+]1 ZINC001089848940 1118309883 /nfs/dbraw/zinc/30/98/83/1118309883.db2.gz QKGZPFNFVSZAHD-UHFFFAOYSA-N 1 1 343.456 2.507 20 10 EFCDMO Cc1coc(C(=O)NCCC2=CCN(c3cc(C)[nH+]c(C)n3)CC2)c1 ZINC001089853697 1118356854 /nfs/dbraw/zinc/35/68/54/1118356854.db2.gz IETFIVPMSMOJKO-UHFFFAOYSA-N 1 1 340.427 2.951 20 10 EFCDMO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2nnnn2-c2ccccc2)c1 ZINC000182389386 1118602433 /nfs/dbraw/zinc/60/24/33/1118602433.db2.gz QALNLHQSKQKXRP-OLZOCXBDSA-N 1 1 339.399 2.788 20 10 EFCDMO CCc1cc(N2CC=C(CCNC(=O)C3(CF)CC3)CC2)nc(C)[nH+]1 ZINC001089861598 1118777162 /nfs/dbraw/zinc/77/71/62/1118777162.db2.gz AVMKPMKLVOSGOO-UHFFFAOYSA-N 1 1 346.450 2.740 20 10 EFCDMO CN(C)c1ccc(CNC(=O)C[NH+]2CCC(C(F)(F)F)CC2)cc1 ZINC000173770382 529780666 /nfs/dbraw/zinc/78/06/66/529780666.db2.gz IHFZOTPFBJKCGH-UHFFFAOYSA-N 1 1 343.393 2.643 20 10 EFCDMO CN(C)c1ccc2c(c1)OCCN2C(=O)C[N@H+](C)Cc1ccccc1 ZINC000173204828 529785993 /nfs/dbraw/zinc/78/59/93/529785993.db2.gz WQMRNFYZYFNCBR-UHFFFAOYSA-N 1 1 339.439 2.610 20 10 EFCDMO CN(C)c1ccc2c(c1)OCCN2C(=O)C[N@@H+](C)Cc1ccccc1 ZINC000173204828 529785994 /nfs/dbraw/zinc/78/59/94/529785994.db2.gz WQMRNFYZYFNCBR-UHFFFAOYSA-N 1 1 339.439 2.610 20 10 EFCDMO CNC(=O)c1ccc(C[N@H+](C)Cc2cc(F)cc(C(C)=O)c2O)cc1 ZINC000177237573 529937213 /nfs/dbraw/zinc/93/72/13/529937213.db2.gz XQNYPNRCOBBAPZ-UHFFFAOYSA-N 1 1 344.386 2.726 20 10 EFCDMO CNC(=O)c1ccc(C[N@@H+](C)Cc2cc(F)cc(C(C)=O)c2O)cc1 ZINC000177237573 529937214 /nfs/dbraw/zinc/93/72/14/529937214.db2.gz XQNYPNRCOBBAPZ-UHFFFAOYSA-N 1 1 344.386 2.726 20 10 EFCDMO COc1cc(O)c(C[N@@H+]2CC[C@H]3[C@H](CCCN3C3CC3)C2)cc1OC ZINC000160459173 239052553 /nfs/dbraw/zinc/05/25/53/239052553.db2.gz VZUDEJVNIXEDLJ-PBHICJAKSA-N 1 1 346.471 2.858 20 10 EFCDMO COc1cc(O)c(C[N@H+]2CC[C@H]3[C@H](CCCN3C3CC3)C2)cc1OC ZINC000160459173 239052559 /nfs/dbraw/zinc/05/25/59/239052559.db2.gz VZUDEJVNIXEDLJ-PBHICJAKSA-N 1 1 346.471 2.858 20 10 EFCDMO C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182875552 239545059 /nfs/dbraw/zinc/54/50/59/239545059.db2.gz WGYZDNUWUFKWJB-YBZQBRCDSA-N 1 1 344.455 2.880 20 10 EFCDMO Oc1cc2c(cc1C[N@H+]1CCCN(c3ccccc3)CC1)OCO2 ZINC000193432929 240107675 /nfs/dbraw/zinc/10/76/75/240107675.db2.gz NBXABTAQUHLVMA-UHFFFAOYSA-N 1 1 326.396 2.833 20 10 EFCDMO CN(C)c1ccc(C[NH2+][C@](C)(C(N)=O)c2cccc(Cl)c2)cc1 ZINC000193434883 240109077 /nfs/dbraw/zinc/10/90/77/240109077.db2.gz YNGKBJWCVFXLED-SFHVURJKSA-N 1 1 331.847 2.896 20 10 EFCDMO Nc1ccc(CC(=O)Nc2ccccc2C[NH+]2CCSCC2)cc1 ZINC000237917548 240247961 /nfs/dbraw/zinc/24/79/61/240247961.db2.gz QWRPFYNQTQVJGC-UHFFFAOYSA-N 1 1 341.480 2.999 20 10 EFCDMO OC1CCN(c2ccc(CNc3[nH+]cnc4[nH]ccc43)cc2F)CC1 ZINC000263718861 240386466 /nfs/dbraw/zinc/38/64/66/240386466.db2.gz ATZDOJIYHNUCNH-UHFFFAOYSA-N 1 1 341.390 2.670 20 10 EFCDMO CN1CCN(CCC[NH2+]Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000263900677 240392374 /nfs/dbraw/zinc/39/23/74/240392374.db2.gz WAERYWMRUJFNFX-UHFFFAOYSA-N 1 1 339.483 2.786 20 10 EFCDMO COc1c(O)c(C[NH2+]C[C@@H]2CCCO[C@H]2C(C)C)ccc1[N+](=O)[O-] ZINC000278306981 240805287 /nfs/dbraw/zinc/80/52/87/240805287.db2.gz DKUHXHNNUGGNKZ-BBRMVZONSA-N 1 1 338.404 2.850 20 10 EFCDMO COc1cc(O)c(C[N@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)cc1OC ZINC000290913859 241022609 /nfs/dbraw/zinc/02/26/09/241022609.db2.gz NHKBCNCTLBJNOL-MAUKXSAKSA-N 1 1 333.428 2.943 20 10 EFCDMO COc1c(O)c(C[NH2+][C@H]2COc3c(C)cccc3C2)ccc1[N+](=O)[O-] ZINC000290916605 241022727 /nfs/dbraw/zinc/02/27/27/241022727.db2.gz NMZPZNZPNPEDQS-CQSZACIVSA-N 1 1 344.367 2.711 20 10 EFCDMO C[C@H]1CN(C(=O)NCc2ccc(N(C)C)c(F)c2)CC[N@H+](C2CC2)C1 ZINC000297353254 241120778 /nfs/dbraw/zinc/12/07/78/241120778.db2.gz UUUUFSFUVPJDAW-CQSZACIVSA-N 1 1 348.466 2.517 20 10 EFCDMO COc1ccc(O)c([C@H](C)[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c1 ZINC000294731152 241049211 /nfs/dbraw/zinc/04/92/11/241049211.db2.gz GHLDTLUIJMIPSM-SOUVJXGZSA-N 1 1 340.423 2.743 20 10 EFCDMO Cc1cc(C[N@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)ccc1N(C)C ZINC000294731688 241050579 /nfs/dbraw/zinc/05/05/79/241050579.db2.gz WGECWIGHQGKWSO-CQSZACIVSA-N 1 1 343.393 2.561 20 10 EFCDMO Cc1cc(C[N@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)ccc1N(C)C ZINC000294731685 241050814 /nfs/dbraw/zinc/05/08/14/241050814.db2.gz WGECWIGHQGKWSO-AWEZNQCLSA-N 1 1 343.393 2.561 20 10 EFCDMO [O-]c1cccc(Cl)c1C[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000295522311 241056724 /nfs/dbraw/zinc/05/67/24/241056724.db2.gz VVZVTUAUBBJODZ-INIZCTEOSA-N 1 1 346.858 2.902 20 10 EFCDMO [O-]c1cccc(Cl)c1C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000295522311 241056727 /nfs/dbraw/zinc/05/67/27/241056727.db2.gz VVZVTUAUBBJODZ-INIZCTEOSA-N 1 1 346.858 2.902 20 10 EFCDMO C[C@H]1Cc2[nH+]cn(CC(=O)NCc3ccc(N(C)C)cc3)c2C[C@@H]1C ZINC000298529731 241153568 /nfs/dbraw/zinc/15/35/68/241153568.db2.gz WIDMTIMDESICOC-GJZGRUSLSA-N 1 1 340.471 2.636 20 10 EFCDMO CN(C)c1cc[nH+]c(NCc2ccc(N3CCSCC3)cc2)n1 ZINC000301709732 241189417 /nfs/dbraw/zinc/18/94/17/241189417.db2.gz XDSUCRSRNOFRSG-UHFFFAOYSA-N 1 1 329.473 2.708 20 10 EFCDMO C[C@H](Nc1nc(N(C)C)cc[nH+]1)c1ccc(N2CCOCC2)cc1 ZINC000301724143 241189827 /nfs/dbraw/zinc/18/98/27/241189827.db2.gz LJBWOCBEHIRARA-AWEZNQCLSA-N 1 1 327.432 2.552 20 10 EFCDMO CCc1cc(NCc2ccc(N3CCOCC3)c(F)c2)nc(C)[nH+]1 ZINC000302070680 241192561 /nfs/dbraw/zinc/19/25/61/241192561.db2.gz YFDJWWACEMQXMX-UHFFFAOYSA-N 1 1 330.407 2.935 20 10 EFCDMO CCCN(Cc1ccccc1O)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000297657354 241131695 /nfs/dbraw/zinc/13/16/95/241131695.db2.gz WBFQUDJLSUBYLI-ALOPSCKCSA-N 1 1 331.460 2.939 20 10 EFCDMO CCOC(=O)c1nn(C)cc1C[NH2+]Cc1c(C)c2ccccc2n1C ZINC000355129220 242021562 /nfs/dbraw/zinc/02/15/62/242021562.db2.gz WICNJJHOFBWFOW-UHFFFAOYSA-N 1 1 340.427 2.687 20 10 EFCDMO COc1cc(Cl)cc(C[N@H+]2CC[C@@H](Cc3cnn(C)c3)C2)c1O ZINC000363912901 242285408 /nfs/dbraw/zinc/28/54/08/242285408.db2.gz ZJMOWDJEAOWVHU-LBPRGKRZSA-N 1 1 335.835 2.852 20 10 EFCDMO C[C@H]([NH2+]Cc1nnc2n1CCOC2)c1ccc(N2CCCCC2)cc1 ZINC000365156980 242318763 /nfs/dbraw/zinc/31/87/63/242318763.db2.gz QBJMHFOCZWVKHH-HNNXBMFYSA-N 1 1 341.459 2.649 20 10 EFCDMO C[C@@H]1[C@H](N2CCCC2)CC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000367681719 242388695 /nfs/dbraw/zinc/38/86/95/242388695.db2.gz DWNWUNXHVGJMDM-YLJYHZDGSA-N 1 1 329.488 2.582 20 10 EFCDMO C[C@@H]1[C@H](N2CCCC2)CC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000367681719 242388701 /nfs/dbraw/zinc/38/87/01/242388701.db2.gz DWNWUNXHVGJMDM-YLJYHZDGSA-N 1 1 329.488 2.582 20 10 EFCDMO CC1(C)C[N@@H+](Cc2ccc(N3CCOCC3)cc2)[C@@H]1[C@@H]1CCCO1 ZINC000367940018 242396952 /nfs/dbraw/zinc/39/69/52/242396952.db2.gz BJOPYJWCIVZKDK-RBUKOAKNSA-N 1 1 330.472 2.913 20 10 EFCDMO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000363913166 285101451 /nfs/dbraw/zinc/10/14/51/285101451.db2.gz GRGORBWZKHWUJZ-MJGOQNOKSA-N 1 1 344.503 2.911 20 10 EFCDMO [O-]c1c(Br)cccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252667240 285380483 /nfs/dbraw/zinc/38/04/83/285380483.db2.gz HKDGIJYNKBDKLU-OLZOCXBDSA-N 1 1 325.250 2.871 20 10 EFCDMO C[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1cc(Cl)ccc1[O-] ZINC000185366719 473407499 /nfs/dbraw/zinc/40/74/99/473407499.db2.gz DLYSTKPBXWYHAG-CQSZACIVSA-N 1 1 325.884 2.724 20 10 EFCDMO C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cc(Cl)ccc1[O-] ZINC000185366719 473407503 /nfs/dbraw/zinc/40/75/03/473407503.db2.gz DLYSTKPBXWYHAG-CQSZACIVSA-N 1 1 325.884 2.724 20 10 EFCDMO C[C@@H]([NH2+]C[C@@H](O)CN1CCc2ccccc2C1)c1ccc(F)cc1O ZINC000184992042 473295685 /nfs/dbraw/zinc/29/56/85/473295685.db2.gz SWAMYWXKIVFRQM-RDTXWAMCSA-N 1 1 344.430 2.601 20 10 EFCDMO Cc1ccc([C@H](C)[NH2+]Cc2ccnc(N3CCN(C)CC3)c2)c(O)c1 ZINC000185042354 473309282 /nfs/dbraw/zinc/30/92/82/473309282.db2.gz OGGVVKXRGBQWQH-INIZCTEOSA-N 1 1 340.471 2.698 20 10 EFCDMO Cc1ccc([C@H](C)[NH2+]Cc2cccnc2N2CCN(C)CC2)c(O)c1 ZINC000185166051 473349106 /nfs/dbraw/zinc/34/91/06/473349106.db2.gz MHMJTXWNLFRJEK-INIZCTEOSA-N 1 1 340.471 2.698 20 10 EFCDMO CC[C@@H]([NH2+]Cc1ccc(N2CCN(C)CC2)nc1)c1ccccc1O ZINC000185207538 473362469 /nfs/dbraw/zinc/36/24/69/473362469.db2.gz HNKUPORFZMENNH-GOSISDBHSA-N 1 1 340.471 2.780 20 10 EFCDMO COc1cc2c(cc1OC)C[N@@H+](Cc1cc3c(cc1O)OCO3)CC2 ZINC000007076434 471590595 /nfs/dbraw/zinc/59/05/95/471590595.db2.gz HTFXSRSLQGIOAI-UHFFFAOYSA-N 1 1 343.379 2.696 20 10 EFCDMO CC(C)(C)c1cc(O)c(O)c(C[NH+]2CCN(c3ncccn3)CC2)c1 ZINC000012569485 471783215 /nfs/dbraw/zinc/78/32/15/471783215.db2.gz AEBILSKHWKWMQW-UHFFFAOYSA-N 1 1 342.443 2.508 20 10 EFCDMO CN(C)c1ccc(CN(C)C(=O)NC[C@H](c2ccco2)[NH+](C)C)cc1 ZINC000053525505 472016215 /nfs/dbraw/zinc/01/62/15/472016215.db2.gz DISRCHDXZHRSTJ-QGZVFWFLSA-N 1 1 344.459 2.790 20 10 EFCDMO CN(Cc1ccccc1O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000043239250 472212232 /nfs/dbraw/zinc/21/22/32/472212232.db2.gz DVRXFZWBZCOFCJ-SFHVURJKSA-N 1 1 339.439 2.808 20 10 EFCDMO CN(Cc1ccccc1O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000043239246 472212506 /nfs/dbraw/zinc/21/25/06/472212506.db2.gz DVRXFZWBZCOFCJ-GOSISDBHSA-N 1 1 339.439 2.808 20 10 EFCDMO CC[N@@H+](Cc1cc(Br)ccc1O)[C@H](C)C(=O)NC1CC1 ZINC000076118515 472276624 /nfs/dbraw/zinc/27/66/24/472276624.db2.gz FWDATNIOJPCSRM-SNVBAGLBSA-N 1 1 341.249 2.644 20 10 EFCDMO CN(Cc1ccccc1O)C(=O)[C@@H]1CCCC[N@@H+]1Cc1ccncc1 ZINC000069533525 472366607 /nfs/dbraw/zinc/36/66/07/472366607.db2.gz NWTXBSKHRIYJNN-SFHVURJKSA-N 1 1 339.439 2.800 20 10 EFCDMO CN(Cc1ccccc1O)C(=O)[C@@H]1CCCC[N@H+]1Cc1ccncc1 ZINC000069533525 472366613 /nfs/dbraw/zinc/36/66/13/472366613.db2.gz NWTXBSKHRIYJNN-SFHVURJKSA-N 1 1 339.439 2.800 20 10 EFCDMO O=C(NCc1ccco1)[C@H]1CCC[N@H+]1Cc1c(O)cccc1Cl ZINC000128214463 472419092 /nfs/dbraw/zinc/41/90/92/472419092.db2.gz HNPYOXKEXUUOEY-OAHLLOKOSA-N 1 1 334.803 2.919 20 10 EFCDMO O=C(NCc1ccco1)[C@H]1CCC[N@@H+]1Cc1c(O)cccc1Cl ZINC000128214463 472419098 /nfs/dbraw/zinc/41/90/98/472419098.db2.gz HNPYOXKEXUUOEY-OAHLLOKOSA-N 1 1 334.803 2.919 20 10 EFCDMO CCN(C)c1ccc([C@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)cc1 ZINC000128281847 472429066 /nfs/dbraw/zinc/42/90/66/472429066.db2.gz YAOZGIOZSDUPBF-SFHVURJKSA-N 1 1 332.536 2.821 20 10 EFCDMO C[C@@H](CN1CCN(C)CC1)[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000154885168 472483690 /nfs/dbraw/zinc/48/36/90/472483690.db2.gz PSRXLAYUXQADLY-OALUTQOASA-N 1 1 344.547 2.963 20 10 EFCDMO C[N@H+](CC(=O)Nc1ccccc1)Cc1ccc(N2CCOCC2)cc1 ZINC000070758341 472509283 /nfs/dbraw/zinc/50/92/83/472509283.db2.gz SNCJMDJUATYIQR-UHFFFAOYSA-N 1 1 339.439 2.594 20 10 EFCDMO C[N@@H+](CC(=O)Nc1ccccc1)Cc1ccc(N2CCOCC2)cc1 ZINC000070758341 472509286 /nfs/dbraw/zinc/50/92/86/472509286.db2.gz SNCJMDJUATYIQR-UHFFFAOYSA-N 1 1 339.439 2.594 20 10 EFCDMO CC(C)[N@@H+](C)CC(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 ZINC000070944524 472526993 /nfs/dbraw/zinc/52/69/93/472526993.db2.gz WZVAAZQVNYBCHW-IBGZPJMESA-N 1 1 347.503 2.600 20 10 EFCDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NCCCSc1nccs1 ZINC000089937319 472553699 /nfs/dbraw/zinc/55/36/99/472553699.db2.gz ZFGPSMCPEBWNGJ-OLZOCXBDSA-N 1 1 342.534 2.607 20 10 EFCDMO O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000046983822 472635548 /nfs/dbraw/zinc/63/55/48/472635548.db2.gz XIWYPMKBFGAKCS-RTBURBONSA-N 1 1 342.487 2.713 20 10 EFCDMO CC(=O)c1cc(F)cc(C[NH+]2CCC(N3CCCCC3=O)CC2)c1O ZINC000120413729 472683986 /nfs/dbraw/zinc/68/39/86/472683986.db2.gz YRQHZMRELIOSIB-UHFFFAOYSA-N 1 1 348.418 2.711 20 10 EFCDMO C[C@@H](NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(N(C)C)cc1 ZINC000132857867 472759517 /nfs/dbraw/zinc/75/95/17/472759517.db2.gz KAQOJBNIGFYUIF-SJORKVTESA-N 1 1 331.504 2.904 20 10 EFCDMO C[C@@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccc(N(C)C)cc1 ZINC000132857867 472759520 /nfs/dbraw/zinc/75/95/20/472759520.db2.gz KAQOJBNIGFYUIF-SJORKVTESA-N 1 1 331.504 2.904 20 10 EFCDMO CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1CCC[N@H+]1C ZINC000120995930 472780317 /nfs/dbraw/zinc/78/03/17/472780317.db2.gz XJPIFRMDXOIEDK-ZDUSSCGKSA-N 1 1 341.249 2.597 20 10 EFCDMO CCN(CC)c1ccc(C[N@H+](C2CC2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000157091436 472784718 /nfs/dbraw/zinc/78/47/18/472784718.db2.gz JXPZTJHRENOWSR-SFHVURJKSA-N 1 1 336.501 2.684 20 10 EFCDMO CCN(CC)c1ccc(C[N@@H+](C2CC2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000157091436 472784723 /nfs/dbraw/zinc/78/47/23/472784723.db2.gz JXPZTJHRENOWSR-SFHVURJKSA-N 1 1 336.501 2.684 20 10 EFCDMO Oc1ccc(Br)cc1C[N@@H+]1CCOC2(CCOCC2)C1 ZINC000091894543 472823248 /nfs/dbraw/zinc/82/32/48/472823248.db2.gz RIABHJCIXXMEJR-UHFFFAOYSA-N 1 1 342.233 2.536 20 10 EFCDMO Oc1ccc(Br)cc1C[N@H+]1CCOC2(CCOCC2)C1 ZINC000091894543 472823257 /nfs/dbraw/zinc/82/32/57/472823257.db2.gz RIABHJCIXXMEJR-UHFFFAOYSA-N 1 1 342.233 2.536 20 10 EFCDMO COCc1ccc(C[NH+]2CCN(c3ccc(OC)c(F)c3)CC2)o1 ZINC000091923093 472825185 /nfs/dbraw/zinc/82/51/85/472825185.db2.gz SIFCYJDPSLFQKF-UHFFFAOYSA-N 1 1 334.391 2.896 20 10 EFCDMO COC(=O)[C@@H](C)Oc1ccc(C[N@@H+](C)Cc2ccccc2O)cc1 ZINC000091974654 472835174 /nfs/dbraw/zinc/83/51/74/472835174.db2.gz VXPNDLZVNJERIK-CQSZACIVSA-N 1 1 329.396 2.965 20 10 EFCDMO Cc1cc(C(=O)N2CC[NH+](Cc3cc(C)ccc3O)CC2)c(C)o1 ZINC000092185844 472869527 /nfs/dbraw/zinc/86/95/27/472869527.db2.gz ZJVUKSXWICEMSH-UHFFFAOYSA-N 1 1 328.412 2.868 20 10 EFCDMO CC[N@@H+](CCOCCOC)Cc1cc(Br)ccc1O ZINC000079471745 472870817 /nfs/dbraw/zinc/87/08/17/472870817.db2.gz COPLMQZEXXFYPY-UHFFFAOYSA-N 1 1 332.238 2.640 20 10 EFCDMO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H](Cc3cnn(C)c3)C2)c1O ZINC000079474246 472871176 /nfs/dbraw/zinc/87/11/76/472871176.db2.gz FIOJMVUIWXKRDF-ZDUSSCGKSA-N 1 1 331.391 2.532 20 10 EFCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@@H](N3CCNC3=O)C2)cc1 ZINC000092189250 472871742 /nfs/dbraw/zinc/87/17/42/472871742.db2.gz FFCNLDJFSHBJNN-GOSISDBHSA-N 1 1 330.476 2.522 20 10 EFCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@H](N3CCNC3=O)C2)cc1 ZINC000092189249 472872096 /nfs/dbraw/zinc/87/20/96/472872096.db2.gz FFCNLDJFSHBJNN-SFHVURJKSA-N 1 1 330.476 2.522 20 10 EFCDMO c1cc(N2CCOCC2)ccc1C[N@H+]1CCC[C@@H]1CN1CCCCC1 ZINC000092218873 472878815 /nfs/dbraw/zinc/87/88/15/472878815.db2.gz OXLBPCKPXVHNBX-OAQYLSRUSA-N 1 1 343.515 2.974 20 10 EFCDMO c1cc(N2CCOCC2)ccc1C[N@@H+]1CCC[C@@H]1CN1CCCCC1 ZINC000092218873 472878818 /nfs/dbraw/zinc/87/88/18/472878818.db2.gz OXLBPCKPXVHNBX-OAQYLSRUSA-N 1 1 343.515 2.974 20 10 EFCDMO CS[C@H](C)C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000158084197 472891018 /nfs/dbraw/zinc/89/10/18/472891018.db2.gz GPYIDBBEVIEBAJ-BXUZGUMPSA-N 1 1 342.892 2.878 20 10 EFCDMO CS[C@@H](C)C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000158084342 472891182 /nfs/dbraw/zinc/89/11/82/472891182.db2.gz GPYIDBBEVIEBAJ-FZMZJTMJSA-N 1 1 342.892 2.878 20 10 EFCDMO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cc2cccc(OC)c2O)C1 ZINC000092400784 472907261 /nfs/dbraw/zinc/90/72/61/472907261.db2.gz RMVAFHXOBBDKLP-ZBFHGGJFSA-N 1 1 334.460 2.918 20 10 EFCDMO Cc1cc(C(=O)N2CC[C@@H]3CC[C@H](C2)[N@H+]3C)c(C)n1-c1ccccn1 ZINC000073987336 472916674 /nfs/dbraw/zinc/91/66/74/472916674.db2.gz YENSCEHMIDQINK-DLBZAZTESA-N 1 1 338.455 2.798 20 10 EFCDMO CS[C@@H]1CCCC[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000134607159 472937858 /nfs/dbraw/zinc/93/78/58/472937858.db2.gz NYRNVKXHCSFAJD-QGZVFWFLSA-N 1 1 335.517 2.586 20 10 EFCDMO C[C@H](CNC(=O)NCc1c(O)ccc2c1CCCC2)[N@@H+](C)C1CC1 ZINC000074100712 472941223 /nfs/dbraw/zinc/94/12/23/472941223.db2.gz NAACSPCXPQHHPR-CYBMUJFWSA-N 1 1 331.460 2.553 20 10 EFCDMO COc1ccc(N2CC[NH+](Cc3c(C)nn(C)c3C)CC2)cc1F ZINC000122013298 472963932 /nfs/dbraw/zinc/96/39/32/472963932.db2.gz FWQZIGCXVUWSAG-UHFFFAOYSA-N 1 1 332.423 2.507 20 10 EFCDMO COc1cccc(C[N@H+]2CCCN(C(=O)OCC(C)C)CC2)c1O ZINC000092754467 472978848 /nfs/dbraw/zinc/97/88/48/472978848.db2.gz BPVYTNGENXXNFJ-UHFFFAOYSA-N 1 1 336.432 2.701 20 10 EFCDMO CCCO[C@H]1CCC[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000108394531 473023307 /nfs/dbraw/zinc/02/33/07/473023307.db2.gz GIKYWNODGMZBON-IBGZPJMESA-N 1 1 347.503 2.650 20 10 EFCDMO CCN(CC)c1ccc(C[N@H+](CC)[C@@H](C)CS(C)(=O)=O)cc1 ZINC000093391366 473099846 /nfs/dbraw/zinc/09/98/46/473099846.db2.gz OEZLHZDJTJFRRN-HNNXBMFYSA-N 1 1 326.506 2.788 20 10 EFCDMO CCN(CC)c1ccc(C[N@@H+](CC)[C@@H](C)CS(C)(=O)=O)cc1 ZINC000093391366 473099851 /nfs/dbraw/zinc/09/98/51/473099851.db2.gz OEZLHZDJTJFRRN-HNNXBMFYSA-N 1 1 326.506 2.788 20 10 EFCDMO CCN(CC)c1ccc(C[N@H+](CC)[C@H](C)CS(C)(=O)=O)cc1 ZINC000093391367 473101144 /nfs/dbraw/zinc/10/11/44/473101144.db2.gz OEZLHZDJTJFRRN-OAHLLOKOSA-N 1 1 326.506 2.788 20 10 EFCDMO CCN(CC)c1ccc(C[N@@H+](CC)[C@H](C)CS(C)(=O)=O)cc1 ZINC000093391367 473101149 /nfs/dbraw/zinc/10/11/49/473101149.db2.gz OEZLHZDJTJFRRN-OAHLLOKOSA-N 1 1 326.506 2.788 20 10 EFCDMO COc1ccc(N2CCC[N@H+]([C@@H](C)C(=O)N3CCCCC3)CC2)cc1 ZINC000052465936 473110217 /nfs/dbraw/zinc/11/02/17/473110217.db2.gz AACLWMCKYCBAQU-KRWDZBQOSA-N 1 1 345.487 2.608 20 10 EFCDMO COC(=O)c1ccc(C)c(NC(=O)C[N@H+](C)Cc2ccccc2O)c1 ZINC000109770981 473120358 /nfs/dbraw/zinc/12/03/58/473120358.db2.gz SOKMATHFCKLAME-UHFFFAOYSA-N 1 1 342.395 2.558 20 10 EFCDMO COC(=O)c1ccc(C)c(NC(=O)C[N@@H+](C)Cc2ccccc2O)c1 ZINC000109770981 473120361 /nfs/dbraw/zinc/12/03/61/473120361.db2.gz SOKMATHFCKLAME-UHFFFAOYSA-N 1 1 342.395 2.558 20 10 EFCDMO COc1ccc(OC)c(NC(=O)[C@H](C)[N@@H+](C)Cc2ccccc2O)c1 ZINC000109770256 473120571 /nfs/dbraw/zinc/12/05/71/473120571.db2.gz SWELMVLFCZHCTF-ZDUSSCGKSA-N 1 1 344.411 2.868 20 10 EFCDMO CCOc1ccc(O)c(C[N@@H+](C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)c1 ZINC000093647058 473130918 /nfs/dbraw/zinc/13/09/18/473130918.db2.gz MGCXUPAIDASPQQ-WBVHZDCISA-N 1 1 341.473 2.579 20 10 EFCDMO CN(C)c1ccc(CN(C)C(=O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000066697131 473139584 /nfs/dbraw/zinc/13/95/84/473139584.db2.gz YVFKSQIGDKERIQ-UHFFFAOYSA-N 1 1 325.456 2.843 20 10 EFCDMO CN(C)c1ccc(CN(C)C(=O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000066697131 473139589 /nfs/dbraw/zinc/13/95/89/473139589.db2.gz YVFKSQIGDKERIQ-UHFFFAOYSA-N 1 1 325.456 2.843 20 10 EFCDMO CCCN(Cc1ccccc1O)C(=O)NCCCn1cc[nH+]c1C ZINC000066700615 473141501 /nfs/dbraw/zinc/14/15/01/473141501.db2.gz CTVIEHPAPGLKEG-UHFFFAOYSA-N 1 1 330.432 2.909 20 10 EFCDMO COC(=O)[C@]1(C)CC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000093813398 473147084 /nfs/dbraw/zinc/14/70/84/473147084.db2.gz TUQXJSWUEPATBD-CQSZACIVSA-N 1 1 328.206 2.540 20 10 EFCDMO Cc1csc(=O)n1CC[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000123509708 473148514 /nfs/dbraw/zinc/14/85/14/473148514.db2.gz OWJBBSJNBIQWAN-INIZCTEOSA-N 1 1 348.468 2.605 20 10 EFCDMO c1coc([C@H]2C[N@H+](Cc3ccc(N4CCOCC4)cc3)CCO2)c1 ZINC000093841444 473152119 /nfs/dbraw/zinc/15/21/19/473152119.db2.gz GGQDDIUGIKFWIX-LJQANCHMSA-N 1 1 328.412 2.690 20 10 EFCDMO c1coc([C@H]2C[N@@H+](Cc3ccc(N4CCOCC4)cc3)CCO2)c1 ZINC000093841444 473152125 /nfs/dbraw/zinc/15/21/25/473152125.db2.gz GGQDDIUGIKFWIX-LJQANCHMSA-N 1 1 328.412 2.690 20 10 EFCDMO C[C@H](C(=O)N[C@H]1CCOc2ccccc21)[N@@H+](C)Cc1ccccc1O ZINC000111235641 473198604 /nfs/dbraw/zinc/19/86/04/473198604.db2.gz VJPQWCXKQHAQJE-PBHICJAKSA-N 1 1 340.423 2.853 20 10 EFCDMO COc1ccccc1N1CC[C@@H]([N@@H+](C)Cc2ccccc2O)C1=O ZINC000151257161 473432042 /nfs/dbraw/zinc/43/20/42/473432042.db2.gz NRQJWFQCCVXRFH-MRXNPFEDSA-N 1 1 326.396 2.638 20 10 EFCDMO COc1cc(OC)cc([C@@H](O)C[NH2+][C@H](C)c2ccc(F)cc2O)c1 ZINC000185486915 473439971 /nfs/dbraw/zinc/43/99/71/473439971.db2.gz MCVMRQHRDZJWHB-ZMZPIMSZSA-N 1 1 335.375 2.933 20 10 EFCDMO COc1cccc(CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)c1O ZINC000178190324 473473741 /nfs/dbraw/zinc/47/37/41/473473741.db2.gz FGGVBAJERJVPLD-OAHLLOKOSA-N 1 1 332.444 2.672 20 10 EFCDMO C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1cc(Cl)ccc1[O-] ZINC000185647722 473477095 /nfs/dbraw/zinc/47/70/95/473477095.db2.gz RFORYVMKJAPLCG-ZDUSSCGKSA-N 1 1 325.884 2.722 20 10 EFCDMO COCCN(C)c1ccc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)cn1 ZINC000191149933 473491480 /nfs/dbraw/zinc/49/14/80/473491480.db2.gz ZJODYRMUTUSGGM-UHFFFAOYSA-N 1 1 342.487 2.862 20 10 EFCDMO CCCN(Cc1ccccc1O)C(=O)CCCC[NH+]1CCOCC1 ZINC000178714439 473546898 /nfs/dbraw/zinc/54/68/98/473546898.db2.gz DLAORNBFDJTHKE-UHFFFAOYSA-N 1 1 334.460 2.633 20 10 EFCDMO COc1ccc(C(=O)NCC[NH2+][C@H](C)c2ccc(F)cc2O)cc1 ZINC000185953102 473557342 /nfs/dbraw/zinc/55/73/42/473557342.db2.gz SIWGKTWLKNKHIF-GFCCVEGCSA-N 1 1 332.375 2.621 20 10 EFCDMO C[C@@H](C[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1)N1CCN(C)CC1 ZINC000127307439 473598629 /nfs/dbraw/zinc/59/86/29/473598629.db2.gz SZJRDBMGJNQJHA-OALUTQOASA-N 1 1 344.547 2.963 20 10 EFCDMO C[C@@H]1C[C@@H](NC(=O)N(C)Cc2ccc(N(C)C)cc2)C[N@H+]1C1CC1 ZINC000127330034 473600471 /nfs/dbraw/zinc/60/04/71/473600471.db2.gz UAPZWUMYSWZKRW-GDBMZVCRSA-N 1 1 330.476 2.519 20 10 EFCDMO COc1cccc(C[N@H+]2CCc3c(cccc3NC(C)=O)C2)c1O ZINC000179531401 473693080 /nfs/dbraw/zinc/69/30/80/473693080.db2.gz FOKYRWPOABQECZ-UHFFFAOYSA-N 1 1 326.396 2.918 20 10 EFCDMO C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000186592502 473695574 /nfs/dbraw/zinc/69/55/74/473695574.db2.gz BPLQPCRVHXULMJ-KBPBESRZSA-N 1 1 325.884 2.722 20 10 EFCDMO CCc1nc(CN2CC[NH+](Cc3cc(F)ccc3O)CC2)cs1 ZINC000179987884 473770689 /nfs/dbraw/zinc/77/06/89/473770689.db2.gz ZZLOFPXRLMXTNT-UHFFFAOYSA-N 1 1 335.448 2.868 20 10 EFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c1 ZINC000274448992 473828735 /nfs/dbraw/zinc/82/87/35/473828735.db2.gz YKPNCVUTFLAHOS-AADNMHCOSA-N 1 1 331.412 2.787 20 10 EFCDMO COc1cc(O)c(C[N@H+]2CCc3ccccc3[C@@H]2CO)cc1OC ZINC000180281856 473845835 /nfs/dbraw/zinc/84/58/35/473845835.db2.gz VVGSGBKEXVHKJQ-INIZCTEOSA-N 1 1 329.396 2.501 20 10 EFCDMO Cc1cc(Br)cc(C[N@H+](C)[C@@H](C)C[S@](C)=O)c1O ZINC000187826732 473928856 /nfs/dbraw/zinc/92/88/56/473928856.db2.gz XEQZCMOFEFGVLG-YPMLDQLKSA-N 1 1 334.279 2.662 20 10 EFCDMO CC[NH+]1CCN(c2cccc(NC(=O)c3cccc4nc[nH]c43)c2)CC1 ZINC000274662424 473912874 /nfs/dbraw/zinc/91/28/74/473912874.db2.gz ZBHBXWPLWLUNAK-UHFFFAOYSA-N 1 1 349.438 2.957 20 10 EFCDMO C[N@@H+](CCCNC(=O)/C=C/c1ccc(O)c(O)c1)Cc1ccccc1 ZINC000180606713 473918519 /nfs/dbraw/zinc/91/85/19/473918519.db2.gz WQYOJAMQSRSADK-PKNBQFBNSA-N 1 1 340.423 2.749 20 10 EFCDMO Cc1nccnc1[C@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000187822391 473927206 /nfs/dbraw/zinc/92/72/06/473927206.db2.gz ZOKYYHBGWXIUSQ-AWEZNQCLSA-N 1 1 344.434 2.736 20 10 EFCDMO CC[N@H+](Cc1cc(Br)ccc1O)C[C@H](O)CSC ZINC000187912264 473940785 /nfs/dbraw/zinc/94/07/85/473940785.db2.gz WERQQPLIJPYIMZ-LBPRGKRZSA-N 1 1 334.279 2.701 20 10 EFCDMO CC[N@@H+](C)Cc1cccc(CNC(=O)/C=C/c2ccc(O)c(O)c2)c1 ZINC000180695628 473944769 /nfs/dbraw/zinc/94/47/69/473944769.db2.gz QWRSITSYERICMR-CSKARUKUSA-N 1 1 340.423 2.879 20 10 EFCDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180702211 473946331 /nfs/dbraw/zinc/94/63/31/473946331.db2.gz DEDBIMSELDNVIB-VEBHZGNUSA-N 1 1 332.444 2.594 20 10 EFCDMO Cc1cc(O)c(C[N@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)cc1C ZINC000275032652 474049202 /nfs/dbraw/zinc/04/92/02/474049202.db2.gz SPONWPBILOCQOP-LBPRGKRZSA-N 1 1 330.350 2.509 20 10 EFCDMO COc1ccc(N2CCC[N@@H+](CCO[C@@H]3CCCCO3)CC2)cc1 ZINC000181650509 474055445 /nfs/dbraw/zinc/05/54/45/474055445.db2.gz SSFNDXSHIRLDDJ-LJQANCHMSA-N 1 1 334.460 2.751 20 10 EFCDMO C[C@@H]([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)c1cccc(F)c1F ZINC000181968267 474073191 /nfs/dbraw/zinc/07/31/91/474073191.db2.gz FTYYPYOZTSGQIF-CYBMUJFWSA-N 1 1 347.409 2.998 20 10 EFCDMO C[C@H](O)c1ncc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)s1 ZINC000289007125 474118027 /nfs/dbraw/zinc/11/80/27/474118027.db2.gz FHDIDZFXIHANAG-AWEZNQCLSA-N 1 1 347.484 2.665 20 10 EFCDMO C[C@H](O)c1ncc(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)s1 ZINC000289007125 474118030 /nfs/dbraw/zinc/11/80/30/474118030.db2.gz FHDIDZFXIHANAG-AWEZNQCLSA-N 1 1 347.484 2.665 20 10 EFCDMO CCCOc1ccc(C[N@H+]2C[C@@H](CC)[S@](=O)[C@@H](C)C2)c(O)c1 ZINC000289209959 474184459 /nfs/dbraw/zinc/18/44/59/474184459.db2.gz BXUKXTXYTHNMBQ-JWCWZOIMSA-N 1 1 325.474 2.912 20 10 EFCDMO COc1c(O)c(C[NH2+][C@@H]2CCCC23CCOCC3)ccc1[N+](=O)[O-] ZINC000282841959 474214834 /nfs/dbraw/zinc/21/48/34/474214834.db2.gz VSXOEEWLOLQVAM-CQSZACIVSA-N 1 1 336.388 2.748 20 10 EFCDMO [O-]c1ccc(Br)cc1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000227437232 474246129 /nfs/dbraw/zinc/24/61/29/474246129.db2.gz GFUJDVMTBJUZKB-NSHDSACASA-N 1 1 325.250 2.729 20 10 EFCDMO [O-]c1ccc(Br)cc1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000227437232 474246133 /nfs/dbraw/zinc/24/61/33/474246133.db2.gz GFUJDVMTBJUZKB-NSHDSACASA-N 1 1 325.250 2.729 20 10 EFCDMO CCC[N@H+]1CC[C@H](CNC(=O)NCc2c(O)ccc3c2CCCC3)C1 ZINC000175557298 474249386 /nfs/dbraw/zinc/24/93/86/474249386.db2.gz LCQYRZFNSNPARR-OAHLLOKOSA-N 1 1 345.487 2.802 20 10 EFCDMO CC[N@@H+](CCC[NH+]1CCCC1)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000289402024 474255724 /nfs/dbraw/zinc/25/57/24/474255724.db2.gz GPSOICWOJKDOLR-UHFFFAOYSA-N 1 1 337.420 2.617 20 10 EFCDMO CC(=O)N1CC[NH+](Cc2ccc(OCc3ccccc3)cc2O)CC1 ZINC000182938170 474292116 /nfs/dbraw/zinc/29/21/16/474292116.db2.gz ZZJLNWVSZGAGLC-UHFFFAOYSA-N 1 1 340.423 2.635 20 10 EFCDMO COc1cc(O)c(C[N@@H+]2CCO[C@H](Cc3ccccc3)C2)cc1OC ZINC000182952835 474296648 /nfs/dbraw/zinc/29/66/48/474296648.db2.gz PUGPQCYZCRUKRJ-QGZVFWFLSA-N 1 1 343.423 2.853 20 10 EFCDMO COc1cc(O)c(C[N@H+]2CCO[C@H](Cc3ccccc3)C2)cc1OC ZINC000182952835 474296658 /nfs/dbraw/zinc/29/66/58/474296658.db2.gz PUGPQCYZCRUKRJ-QGZVFWFLSA-N 1 1 343.423 2.853 20 10 EFCDMO CN(C)c1ccc(C[N@H+]2CCC[C@@H](CNC(=O)C(F)(F)F)C2)cc1 ZINC000289596983 474338463 /nfs/dbraw/zinc/33/84/63/474338463.db2.gz XNDJZYMYVVDRDT-AWEZNQCLSA-N 1 1 343.393 2.643 20 10 EFCDMO CCOc1ccc(O)c(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)c1 ZINC000289640880 474356622 /nfs/dbraw/zinc/35/66/22/474356622.db2.gz MHUROPOSTGUXMH-GXTWGEPZSA-N 1 1 333.350 2.784 20 10 EFCDMO COC(=O)CN(CC[C@@H]1CCC[N@H+]1C)Cc1cc(Cl)ccc1O ZINC000271206695 474440844 /nfs/dbraw/zinc/44/08/44/474440844.db2.gz GLXQDZYSLXILPW-HNNXBMFYSA-N 1 1 340.851 2.505 20 10 EFCDMO OCC[N@@H+](Cc1cnn(Cc2ccccc2)c1)Cc1ccccc1O ZINC000271253505 474459635 /nfs/dbraw/zinc/45/96/35/474459635.db2.gz FYVJFCZHIZENKH-UHFFFAOYSA-N 1 1 337.423 2.632 20 10 EFCDMO CC[C@H]([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)c1nc(C)cs1 ZINC000184394818 474508623 /nfs/dbraw/zinc/50/86/23/474508623.db2.gz SBSNCAXTLFSLEW-INIZCTEOSA-N 1 1 346.500 2.875 20 10 EFCDMO COc1c(O)c(C[N@@H+]2CCCCC[C@@H]2C[C@@H](C)O)ccc1[N+](=O)[O-] ZINC000289987220 474516243 /nfs/dbraw/zinc/51/62/43/474516243.db2.gz ZZTWCBJUZKUJHN-TZMCWYRMSA-N 1 1 338.404 2.825 20 10 EFCDMO COc1c(O)c(C[N@H+]2CCCCC[C@@H]2C[C@@H](C)O)ccc1[N+](=O)[O-] ZINC000289987220 474516246 /nfs/dbraw/zinc/51/62/46/474516246.db2.gz ZZTWCBJUZKUJHN-TZMCWYRMSA-N 1 1 338.404 2.825 20 10 EFCDMO C[C@@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1O)c1ncnn1C ZINC000276473337 474557381 /nfs/dbraw/zinc/55/73/81/474557381.db2.gz NBGNRGBYWZTLDG-CQSZACIVSA-N 1 1 338.411 2.951 20 10 EFCDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NCCCSc1nccs1 ZINC000242339142 474559601 /nfs/dbraw/zinc/55/96/01/474559601.db2.gz ZFGPSMCPEBWNGJ-QWHCGFSZSA-N 1 1 342.534 2.607 20 10 EFCDMO COc1c(O)c(C[NH2+][C@@H]2[C@H]3Cc4ccccc4[C@@H]23)ccc1[N+](=O)[O-] ZINC000290350351 474568284 /nfs/dbraw/zinc/56/82/84/474568284.db2.gz GABJLCFMUUTHJV-NUEKZKHPSA-N 1 1 326.352 2.737 20 10 EFCDMO Cc1noc(C(C)(C)[NH2+]Cc2cc(Br)ccc2O)n1 ZINC000284108795 474573997 /nfs/dbraw/zinc/57/39/97/474573997.db2.gz SNBLISLEEIZCMC-UHFFFAOYSA-N 1 1 326.194 2.871 20 10 EFCDMO COc1cc(Cl)cc(C[N@H+]2CCCN(CC(F)F)CC2)c1O ZINC000290645565 474580841 /nfs/dbraw/zinc/58/08/41/474580841.db2.gz YTCZXSRTNLZHJE-UHFFFAOYSA-N 1 1 334.794 2.827 20 10 EFCDMO COCCOC[C@H]1CC[N@@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000184699958 474588713 /nfs/dbraw/zinc/58/87/13/474588713.db2.gz KSPABZCFKGFNMG-LBPRGKRZSA-N 1 1 329.824 2.539 20 10 EFCDMO COc1ccc(O)c(C[N@H+]2CCN(C(C)=O)C3(CCCCC3)C2)c1 ZINC000271750706 474589596 /nfs/dbraw/zinc/58/95/96/474589596.db2.gz BSKXJXISLNROAQ-UHFFFAOYSA-N 1 1 332.444 2.768 20 10 EFCDMO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)c1O ZINC000277823395 474596136 /nfs/dbraw/zinc/59/61/36/474596136.db2.gz RBMVKTQYAJRVTL-ZUZCIYMTSA-N 1 1 349.324 2.869 20 10 EFCDMO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)c1O ZINC000277823395 474596140 /nfs/dbraw/zinc/59/61/40/474596140.db2.gz RBMVKTQYAJRVTL-ZUZCIYMTSA-N 1 1 349.324 2.869 20 10 EFCDMO CCOc1cccc(C[N@H+]2CC[C@](CO)(c3ccccc3)C2)c1O ZINC000291272292 474599345 /nfs/dbraw/zinc/59/93/45/474599345.db2.gz NWIFEWRWEBSAQH-FQEVSTJZSA-N 1 1 327.424 2.927 20 10 EFCDMO COc1ccc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2O)cc1 ZINC000278253316 474605425 /nfs/dbraw/zinc/60/54/25/474605425.db2.gz PMCNZHDRATVVGL-UHFFFAOYSA-N 1 1 332.356 2.950 20 10 EFCDMO COc1c(O)c(C[NH2+]Cc2ccccc2N(C)C)ccc1[N+](=O)[O-] ZINC000278304486 474606556 /nfs/dbraw/zinc/60/65/56/474606556.db2.gz DGPVGDAEXIZTMV-UHFFFAOYSA-N 1 1 331.372 2.665 20 10 EFCDMO COc1c(O)c(C[NH2+][C@@H]2CCO[C@H](CC(C)C)C2)ccc1[N+](=O)[O-] ZINC000278304579 474606724 /nfs/dbraw/zinc/60/67/24/474606724.db2.gz DHPXTGGBDALCJB-ZIAGYGMSSA-N 1 1 338.404 2.992 20 10 EFCDMO Cc1cc(C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)c(C)n1-c1ccccn1 ZINC000272481251 474613299 /nfs/dbraw/zinc/61/32/99/474613299.db2.gz MCWFSSSIKCBSJX-SJLPKXTDSA-N 1 1 338.455 2.655 20 10 EFCDMO O=C(/C=C/c1ccc(O)c(O)c1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272493774 474614217 /nfs/dbraw/zinc/61/42/17/474614217.db2.gz RXNQTZGUGZHJQY-LKUPDRCFSA-N 1 1 338.407 2.502 20 10 EFCDMO CCOc1cccc(C[N@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)c1O ZINC000278340345 474615087 /nfs/dbraw/zinc/61/50/87/474615087.db2.gz HQRGDDUSOIXZKA-IUODEOHRSA-N 1 1 333.350 2.926 20 10 EFCDMO CC(C)[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccc(N(C)C)cc1 ZINC000267200801 474616159 /nfs/dbraw/zinc/61/61/59/474616159.db2.gz ONNAKSPCMHJFRL-UHFFFAOYSA-N 1 1 331.420 2.768 20 10 EFCDMO C[N@H+]1CC[C@H]2CCN(Cc3cc(Br)ccc3O)[C@@H]2C1 ZINC000272551524 474617377 /nfs/dbraw/zinc/61/73/77/474617377.db2.gz DAAGQNIRDMXMCT-SMDDNHRTSA-N 1 1 325.250 2.681 20 10 EFCDMO CCN(CC)c1ccc(C[N@H+](C)CCCN2CCN(C)CC2)cc1 ZINC000272567998 474618455 /nfs/dbraw/zinc/61/84/55/474618455.db2.gz CQKLRCFHVJEIBL-UHFFFAOYSA-N 1 1 332.536 2.602 20 10 EFCDMO CCN(CC)c1ccc(C[N@@H+](C)CCCN2CCN(C)CC2)cc1 ZINC000272567998 474618460 /nfs/dbraw/zinc/61/84/60/474618460.db2.gz CQKLRCFHVJEIBL-UHFFFAOYSA-N 1 1 332.536 2.602 20 10 EFCDMO COc1c(O)c(C[N@H+]2CCC[C@]2(CO)CC(C)C)ccc1[N+](=O)[O-] ZINC000278390229 474631105 /nfs/dbraw/zinc/63/11/05/474631105.db2.gz MVNUHEFIMMPPBQ-QGZVFWFLSA-N 1 1 338.404 2.682 20 10 EFCDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)c1 ZINC000278424420 474640998 /nfs/dbraw/zinc/64/09/98/474640998.db2.gz SAVZKVDFRJIECH-XHDPSFHLSA-N 1 1 333.350 2.926 20 10 EFCDMO COc1c(O)c(C[NH2+][C@H](CCO)C2CCCCC2)ccc1[N+](=O)[O-] ZINC000278470035 474653495 /nfs/dbraw/zinc/65/34/95/474653495.db2.gz GZZLPDLMSHSBHJ-CQSZACIVSA-N 1 1 338.404 2.730 20 10 EFCDMO COc1c(O)c(C[NH2+]C[C@H](C)c2ncc(C)s2)ccc1[N+](=O)[O-] ZINC000278474396 474654126 /nfs/dbraw/zinc/65/41/26/474654126.db2.gz IFOQMLINQGEBBG-VIFPVBQESA-N 1 1 337.401 2.967 20 10 EFCDMO COc1c([O-])c(C[NH2+]CCC[N@H+]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000278563490 474705653 /nfs/dbraw/zinc/70/56/53/474705653.db2.gz BQLABCXFAPSHMU-ZDUSSCGKSA-N 1 1 337.420 2.663 20 10 EFCDMO COc1c(O)c(C[NH2+][C@@H](C)CN2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000278609203 474734483 /nfs/dbraw/zinc/73/44/83/474734483.db2.gz DQPSKZXENGQIIZ-STQMWFEESA-N 1 1 337.420 2.519 20 10 EFCDMO CC[N@H+](Cc1ccc(N(C)C)c(C)c1)[C@H](C)CS(=O)(=O)CC ZINC000293063271 474794292 /nfs/dbraw/zinc/79/42/92/474794292.db2.gz LGVIKHIZDKXLTK-OAHLLOKOSA-N 1 1 326.506 2.706 20 10 EFCDMO CC[N@@H+](Cc1ccc(N(C)C)c(C)c1)[C@H](C)CS(=O)(=O)CC ZINC000293063271 474794306 /nfs/dbraw/zinc/79/43/06/474794306.db2.gz LGVIKHIZDKXLTK-OAHLLOKOSA-N 1 1 326.506 2.706 20 10 EFCDMO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000268136292 474818480 /nfs/dbraw/zinc/81/84/80/474818480.db2.gz JNNORTFPJGXLJW-BEFAXECRSA-N 1 1 344.503 2.767 20 10 EFCDMO CN(CCC[N@@H+](C)Cc1cc2c(cc1O)OCO2)Cc1ccco1 ZINC000284985130 474852740 /nfs/dbraw/zinc/85/27/40/474852740.db2.gz CATPDTDDFPBAQS-UHFFFAOYSA-N 1 1 332.400 2.668 20 10 EFCDMO CCn1cnnc1C[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000273391092 474875200 /nfs/dbraw/zinc/87/52/00/474875200.db2.gz KRIHGXJFTRVBQZ-SECBINFHSA-N 1 1 325.210 2.617 20 10 EFCDMO COc1cc(C[NH2+][C@@H](C)c2ccc(F)cc2O)ccc1OCCO ZINC000273404502 474881180 /nfs/dbraw/zinc/88/11/80/474881180.db2.gz OEBGYVGZGPUJNJ-LBPRGKRZSA-N 1 1 335.375 2.762 20 10 EFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)c2cccc(F)c2)c1 ZINC000273414671 474887161 /nfs/dbraw/zinc/88/71/61/474887161.db2.gz QLXYAWBZHFRMHC-APPDUMDISA-N 1 1 333.359 2.702 20 10 EFCDMO C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C1=O)c1ccc(F)cc1O ZINC000273447710 474901433 /nfs/dbraw/zinc/90/14/33/474901433.db2.gz FIGXDRDUIGAHAS-GUYCJALGSA-N 1 1 328.387 2.983 20 10 EFCDMO C[C@@H]([NH2+][C@H]1CCCN(Cc2ccccn2)C1=O)c1ccc(F)cc1O ZINC000273465743 474912681 /nfs/dbraw/zinc/91/26/81/474912681.db2.gz RCPIQUMVMCNDPV-DYVFJYSZSA-N 1 1 343.402 2.768 20 10 EFCDMO COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000285208735 474928638 /nfs/dbraw/zinc/92/86/38/474928638.db2.gz WVXNSNHLQFNXMI-OAHLLOKOSA-N 1 1 331.334 2.936 20 10 EFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@H](O)c2ccccc2C)c1 ZINC000273577861 474971907 /nfs/dbraw/zinc/97/19/07/474971907.db2.gz MBGIJMUGSIURDN-UGSOOPFHSA-N 1 1 329.396 2.871 20 10 EFCDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cccc(O)c1O ZINC000279425107 474975545 /nfs/dbraw/zinc/97/55/45/474975545.db2.gz YQYMDIZTGFTUNE-WMLDXEAASA-N 1 1 340.423 2.738 20 10 EFCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)c2cccc(OC)c2)c1 ZINC000273586015 474976636 /nfs/dbraw/zinc/97/66/36/474976636.db2.gz NTDLLBZYBUGEDF-KZULUSFZSA-N 1 1 345.395 2.572 20 10 EFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCC(=O)Nc2ccccc2)c1 ZINC000273586134 474977470 /nfs/dbraw/zinc/97/74/70/474977470.db2.gz NVACZELUVQTHQI-ZDUSSCGKSA-N 1 1 342.395 2.858 20 10 EFCDMO C[C@H]1OCC[C@@]12C[N@H+](Cc1cc(Br)ccc1O)CCO2 ZINC000279609903 474981638 /nfs/dbraw/zinc/98/16/38/474981638.db2.gz FMANCIPILGRYCY-IAQYHMDHSA-N 1 1 342.233 2.535 20 10 EFCDMO C[C@H]1OCC[C@@]12C[N@@H+](Cc1cc(Br)ccc1O)CCO2 ZINC000279609903 474981645 /nfs/dbraw/zinc/98/16/45/474981645.db2.gz FMANCIPILGRYCY-IAQYHMDHSA-N 1 1 342.233 2.535 20 10 EFCDMO C[C@@H]1OCC[C@@]12C[N@H+](Cc1cc(Br)ccc1O)CCO2 ZINC000279609906 474982325 /nfs/dbraw/zinc/98/23/25/474982325.db2.gz FMANCIPILGRYCY-XHDPSFHLSA-N 1 1 342.233 2.535 20 10 EFCDMO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1cc(Br)ccc1O)CCO2 ZINC000279609906 474982335 /nfs/dbraw/zinc/98/23/35/474982335.db2.gz FMANCIPILGRYCY-XHDPSFHLSA-N 1 1 342.233 2.535 20 10 EFCDMO COc1ccc(N2CCN(CC[C@H]3CCCC[N@H+]3C)CC2)cc1F ZINC000268454828 474989006 /nfs/dbraw/zinc/98/90/06/474989006.db2.gz JIODOPCPSVBDPF-MRXNPFEDSA-N 1 1 335.467 2.831 20 10 EFCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2cn3ccc(C)cc3n2)c1 ZINC000273618350 474992676 /nfs/dbraw/zinc/99/26/76/474992676.db2.gz YGAKMIBBVJQMDY-CYBMUJFWSA-N 1 1 339.395 2.986 20 10 EFCDMO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)c1 ZINC000273622760 474993933 /nfs/dbraw/zinc/99/39/33/474993933.db2.gz ZOJGCTCLCDALJS-HUUCEWRRSA-N 1 1 334.460 2.950 20 10 EFCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@H](C)COCC(F)(F)F)c1 ZINC000273619888 474994484 /nfs/dbraw/zinc/99/44/84/474994484.db2.gz YRLNWURKGXKRNR-NXEZZACHSA-N 1 1 335.322 2.797 20 10 EFCDMO CN(C)c1ccc(C[NH2+]Cc2nnc3n2CCC3)c(C(F)(F)F)c1 ZINC000279999147 475004790 /nfs/dbraw/zinc/00/47/90/475004790.db2.gz RSAQEJGMTJQWKO-UHFFFAOYSA-N 1 1 339.365 2.599 20 10 EFCDMO Cc1cc(CN2CC[NH+](Cc3ccc(N(C)C)c(C)c3)CC2)on1 ZINC000293493343 475008338 /nfs/dbraw/zinc/00/83/38/475008338.db2.gz NELMHLUNDBGQJD-UHFFFAOYSA-N 1 1 328.460 2.675 20 10 EFCDMO CNC(=O)[C@H](C)C[N@@H+](C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000280268984 475017947 /nfs/dbraw/zinc/01/79/47/475017947.db2.gz NBQMQJATBFNHKE-LLVKDONJSA-N 1 1 331.382 2.585 20 10 EFCDMO CNC(=O)[C@@H](C)C[N@@H+](C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000280268988 475018020 /nfs/dbraw/zinc/01/80/20/475018020.db2.gz NBQMQJATBFNHKE-NSHDSACASA-N 1 1 331.382 2.585 20 10 EFCDMO CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000280347327 475019238 /nfs/dbraw/zinc/01/92/38/475019238.db2.gz SXCSHPXUAXBZPP-CYBMUJFWSA-N 1 1 343.393 2.729 20 10 EFCDMO CCCOc1ccc(C[N@H+]2C[C@]3(CCOC3)OC(C)(C)C2)c(O)c1 ZINC000280363253 475021074 /nfs/dbraw/zinc/02/10/74/475021074.db2.gz UPZKHHWXZSAEBO-IBGZPJMESA-N 1 1 335.444 2.951 20 10 EFCDMO COc1cc(N2CC[NH+](Cc3occc3C)CC2)cc(OC)c1OC ZINC000273737870 475035099 /nfs/dbraw/zinc/03/50/99/475035099.db2.gz LIQRRBGGOQPJRH-UHFFFAOYSA-N 1 1 346.427 2.936 20 10 EFCDMO CC[C@H]([NH2+]Cc1cccc(OCC(N)=O)c1)c1ccc(F)cc1O ZINC000285901853 475046419 /nfs/dbraw/zinc/04/64/19/475046419.db2.gz CUHVULUJRUIOPJ-INIZCTEOSA-N 1 1 332.375 2.636 20 10 EFCDMO CC[C@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1=O)c1ccc(F)cc1O ZINC000286046213 475049960 /nfs/dbraw/zinc/04/99/60/475049960.db2.gz KVEKTYXGENCUMK-RYUDHWBXSA-N 1 1 334.313 2.735 20 10 EFCDMO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000268887326 475052131 /nfs/dbraw/zinc/05/21/31/475052131.db2.gz ZCMWSWIDAOITMO-WWMYMODYSA-N 1 1 345.531 2.714 20 10 EFCDMO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000286487568 475068358 /nfs/dbraw/zinc/06/83/58/475068358.db2.gz JQEQJWMAMHQPEJ-VQHVLOKHSA-N 1 1 344.411 2.685 20 10 EFCDMO Cn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000294650811 475075988 /nfs/dbraw/zinc/07/59/88/475075988.db2.gz KUQLZBYLTHVPMM-ZFWWWQNUSA-N 1 1 339.798 2.928 20 10 EFCDMO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)c1O ZINC000286740375 475077017 /nfs/dbraw/zinc/07/70/17/475077017.db2.gz YDPOBTHTLYSKOS-FZMZJTMJSA-N 1 1 349.324 2.727 20 10 EFCDMO CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)c1O ZINC000286740375 475077029 /nfs/dbraw/zinc/07/70/29/475077029.db2.gz YDPOBTHTLYSKOS-FZMZJTMJSA-N 1 1 349.324 2.727 20 10 EFCDMO COc1cccc(C[N@@H+](Cc2cccc(C(N)=O)c2)C2CC2)c1O ZINC000294797156 475083244 /nfs/dbraw/zinc/08/32/44/475083244.db2.gz MOSNVCSBDABWCX-UHFFFAOYSA-N 1 1 326.396 2.664 20 10 EFCDMO CN(C)c1ccc(C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)cc1F ZINC000294837536 475085256 /nfs/dbraw/zinc/08/52/56/475085256.db2.gz QTJVSXQZSKVOOV-JKSUJKDBSA-N 1 1 341.430 2.673 20 10 EFCDMO COC1CCN(c2ccc(C[N@@H+](C)[C@@H](C)C[S@@](C)=O)cc2)CC1 ZINC000294868169 475088361 /nfs/dbraw/zinc/08/83/61/475088361.db2.gz AUXRXOFPKSAODY-NPMXOYFQSA-N 1 1 338.517 2.501 20 10 EFCDMO Cn1cc([C@H]2C[N@@H+](Cc3cc(F)ccc3O)CC23CCOCC3)cn1 ZINC000295005513 475097191 /nfs/dbraw/zinc/09/71/91/475097191.db2.gz LPXWQGKSOOGODB-QGZVFWFLSA-N 1 1 345.418 2.661 20 10 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EFCDMO COc1ccc(O)c(C[N@H+]2CC[C@](CO)(Cc3ccc(F)cc3)C2)c1 ZINC000377851143 476612790 /nfs/dbraw/zinc/61/27/90/476612790.db2.gz IQRSSXRGCZQEEX-FQEVSTJZSA-N 1 1 345.414 2.967 20 10 EFCDMO CC(C)[C@@]1(CO)CC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000378129272 476684283 /nfs/dbraw/zinc/68/42/83/476684283.db2.gz LPIBJWZGZFKMJN-HNNXBMFYSA-N 1 1 328.250 2.995 20 10 EFCDMO Cc1cc(C[N@H+](C)CC2(O)CCOCC2)ccc1N1CCCCC1 ZINC000408519763 476962147 /nfs/dbraw/zinc/96/21/47/476962147.db2.gz ZSDJNXMGAAQMQR-UHFFFAOYSA-N 1 1 332.488 2.959 20 10 EFCDMO C[C@@H](C(=O)N1CCOc2cc(N(C)C)ccc21)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000413536652 477719682 /nfs/dbraw/zinc/71/96/82/477719682.db2.gz VXWOPQNKSSCNJS-ZNMIVQPWSA-N 1 1 331.460 2.739 20 10 EFCDMO C[N@H+]1CC[C@]2(CCN(C(=O)NCc3ccc(N4CCCC4)cc3)C2)C1 ZINC000368305719 477796918 /nfs/dbraw/zinc/79/69/18/477796918.db2.gz ZBUITTBBLZLGRA-FQEVSTJZSA-N 1 1 342.487 2.524 20 10 EFCDMO C[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc(Cl)ccc1[O-] ZINC000368328339 477798509 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COc1ccc(N2CCC[N@@H+](C[C@@H]3CC4(CCC4)C(=O)O3)CC2)cc1 ZINC000191954505 536671538 /nfs/dbraw/zinc/67/15/38/536671538.db2.gz ZWYSPMBIVQEOTN-SFHVURJKSA-N 1 1 344.455 2.693 20 10 EFCDMO COc1ccc(N2CCC[N@@H+](C[C@@](C)(O)C(F)(F)F)CC2)cc1 ZINC000366824023 536672874 /nfs/dbraw/zinc/67/28/74/536672874.db2.gz MZSJJBCGWNIVEE-OAHLLOKOSA-N 1 1 332.366 2.521 20 10 EFCDMO COC1CCN(c2ccc(C[N@@H+](C)CCNC(=O)C(C)C)cc2)CC1 ZINC000296359401 536756562 /nfs/dbraw/zinc/75/65/62/536756562.db2.gz RSZJPHRMBJXWJU-UHFFFAOYSA-N 1 1 347.503 2.506 20 10 EFCDMO COC1CCN(c2ccc(C[N@H+]3CC[C@@H](O)C(C)(C)C3)cc2)CC1 ZINC000295734557 536757014 /nfs/dbraw/zinc/75/70/14/536757014.db2.gz MHBDBUNAUYQRBO-LJQANCHMSA-N 1 1 332.488 2.895 20 10 EFCDMO COc1cc(O)c(C[N@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)cc1OC ZINC000367700356 536857142 /nfs/dbraw/zinc/85/71/42/536857142.db2.gz SQABPRBGPBJAOY-IBGZPJMESA-N 1 1 347.386 2.642 20 10 EFCDMO COC(=O)[C@@H]1C[N@@H+](Cc2c(O)ccc3ccc(OC)cc32)C[C@H]1C ZINC000755919441 575656070 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C[C@@H]([NH2+][C@H](CO)CC(F)F)c1cc(Br)c(F)cc1O ZINC000760035635 575974257 /nfs/dbraw/zinc/97/42/57/575974257.db2.gz BZFNYFKKDQKHTJ-RQJHMYQMSA-N 1 1 342.155 2.961 20 10 EFCDMO Cc1cc(C(=O)NCC[N@@H+]2CC=C(C)CC2)c(C)n1-c1ccccn1 ZINC000762706668 576326097 /nfs/dbraw/zinc/32/60/97/576326097.db2.gz LLNDGIHPYVDWQK-UHFFFAOYSA-N 1 1 338.455 2.871 20 10 EFCDMO C[C@@H](NC[C@@]1(O)CC[N@H+](C)C1)c1ccc(N2CCCCCC2)cc1 ZINC000762790207 576331825 /nfs/dbraw/zinc/33/18/25/576331825.db2.gz YQZBYXJFCUHEQL-XLIONFOSSA-N 1 1 331.504 2.784 20 10 EFCDMO C[C@@H](NC[C@@]1(O)CC[N@@H+](C)C1)c1ccc(N2CCCCCC2)cc1 ZINC000762790207 576331826 /nfs/dbraw/zinc/33/18/26/576331826.db2.gz YQZBYXJFCUHEQL-XLIONFOSSA-N 1 1 331.504 2.784 20 10 EFCDMO COc1cc(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)ccn1 ZINC000762926834 576347958 /nfs/dbraw/zinc/34/79/58/576347958.db2.gz VLUSRYQNYNCMIY-QGZVFWFLSA-N 1 1 328.412 2.977 20 10 EFCDMO CO[C@@]1(C[NH2+][C@@H](C)c2cc(Br)c(F)cc2O)CCOC1 ZINC000763571450 576381588 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C[C@@H]([NH2+]C[C@H](O)c1cnn(C)c1)c1cccc(C(F)(F)F)c1O ZINC000815584197 1287613530 /nfs/dbraw/zinc/61/35/30/1287613530.db2.gz XXSSBVNWERVXRW-RNCFNFMXSA-N 1 1 329.322 2.529 20 10 EFCDMO Cc1cc([C@@H](C)[NH2+]Cc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)no1 ZINC000810211539 1283035334 /nfs/dbraw/zinc/03/53/34/1283035334.db2.gz SQOOBQZEXBMNNW-GDBMZVCRSA-N 1 1 342.443 2.536 20 10 EFCDMO C[C@@H]([NH2+][C@H]1CC(=O)N(C2CC2)C1)c1cccc(C(F)(F)F)c1O ZINC000815595563 1287621437 /nfs/dbraw/zinc/62/14/37/1287621437.db2.gz VIBNRAXZLOXMPF-ZJUUUORDSA-N 1 1 328.334 2.825 20 10 EFCDMO CCNC(=O)N1CC[C@@H]([NH2+][C@H](C)c2cccc(C(F)(F)F)c2O)C1 ZINC000815595987 1287624857 /nfs/dbraw/zinc/62/48/57/1287624857.db2.gz HSASCQVOEUQQJH-GHMZBOCLSA-N 1 1 345.365 2.865 20 10 EFCDMO C[C@@H]([NH2+][C@H](CO)C1CCOCC1)c1cccc(C(F)(F)F)c1O ZINC000815615722 1287639555 /nfs/dbraw/zinc/63/95/55/1287639555.db2.gz WBBRXSIUIFZZTA-QMTHXVAHSA-N 1 1 333.350 2.849 20 10 EFCDMO Oc1c(F)cc(Br)cc1CN1CC[C@H]([NH+]2CCCC2)C1 ZINC000715751413 1284324656 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/nfs/dbraw/zinc/02/34/57/1289023457.db2.gz UZYBONHSGKBMPD-SFHVURJKSA-N 1 1 346.383 2.649 20 10 EFCDMO CN(C)c1ccc(C[N@@H+](C)[C@H]2CC(=O)N(C(=O)OC(C)(C)C)C2)cc1 ZINC001171720256 1285738898 /nfs/dbraw/zinc/73/88/98/1285738898.db2.gz ODVBSMUNRSNGJU-INIZCTEOSA-N 1 1 347.459 2.720 20 10 EFCDMO COc1ccc(O)c([C@H](C)[NH2+]Cc2ncc(C3OCCO3)s2)c1 ZINC000813331662 1285815525 /nfs/dbraw/zinc/81/55/25/1285815525.db2.gz QMGMJDXEMBLQBL-JTQLQIEISA-N 1 1 336.413 2.754 20 10 EFCDMO O=C1C[C@@H]([NH2+]Cc2cc(Cl)c3cccnc3c2O)CCN1C1CC1 ZINC001172007873 1285950419 /nfs/dbraw/zinc/95/04/19/1285950419.db2.gz XKTJKEABHMBXFL-LBPRGKRZSA-N 1 1 345.830 2.837 20 10 EFCDMO Cc1nnsc1C[NH2+]Cc1cc(C)cc(Br)c1O ZINC000813790457 1286120640 /nfs/dbraw/zinc/12/06/40/1286120640.db2.gz QJQFYTRSOWXRIR-UHFFFAOYSA-N 1 1 328.235 2.913 20 10 EFCDMO CCOC(=O)C[C@@H]1CC[C@H]([N@H+]2CCCc3cc(O)c(O)cc3C2)C1 ZINC001173661073 1286740764 /nfs/dbraw/zinc/74/07/64/1286740764.db2.gz OUPGEHJRNPBWQQ-CJNGLKHVSA-N 1 1 333.428 2.968 20 10 EFCDMO C[N@@H+](Cc1ccc(N2CCCC2)cc1)[C@@H]1CCC[C@@H](n2ncnn2)C1 ZINC001173761943 1286781574 /nfs/dbraw/zinc/78/15/74/1286781574.db2.gz XJSZGCDFCVHTRO-RTBURBONSA-N 1 1 340.475 2.889 20 10 EFCDMO C[N@@H+](Cc1ccc(N2CCCC2)cc1)[C@H]1CCC[C@@H](n2ncnn2)C1 ZINC001173761942 1286782561 /nfs/dbraw/zinc/78/25/61/1286782561.db2.gz XJSZGCDFCVHTRO-RBUKOAKNSA-N 1 1 340.475 2.889 20 10 EFCDMO CCOC(=O)c1csc(C[NH2+][C@H](C)c2cc(OC)ccc2O)n1 ZINC000814629283 1286835442 /nfs/dbraw/zinc/83/54/42/1286835442.db2.gz LKHLKJMPDHNGJW-SNVBAGLBSA-N 1 1 336.413 2.885 20 10 EFCDMO COc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)c2[nH]ncc2F)cc1C ZINC001135407228 1288002359 /nfs/dbraw/zinc/00/23/59/1288002359.db2.gz GCGVEUROCLFWSU-STQMWFEESA-N 1 1 348.422 2.553 20 10 EFCDMO Oc1c(C[NH+]2CCN([C@@H]3CCC[C@H]3O)CC2)ccc2ccccc21 ZINC000816502452 1288172906 /nfs/dbraw/zinc/17/29/06/1288172906.db2.gz BKBCIZGRJWOYIO-RTBURBONSA-N 1 1 326.440 2.576 20 10 EFCDMO Oc1c(C[NH+]2CCN([C@@H]3CCC[C@@H]3O)CC2)ccc2ccccc21 ZINC000816502449 1288173132 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OC[C@@]1([C@H]([NH2+]Cc2c(O)ccc(Cl)c2F)C2CC2)CCCO1 ZINC000816666071 1288236099 /nfs/dbraw/zinc/23/60/99/1288236099.db2.gz DAUJSJGIIGFUEN-HZPDHXFCSA-N 1 1 329.799 2.594 20 10 EFCDMO CC(C)[C@H]1C[N@H+](Cc2ccc(N3CCN(C)CC3)cc2)CCCO1 ZINC000816675921 1288241348 /nfs/dbraw/zinc/24/13/48/1288241348.db2.gz OPWBZMSGQZKJHC-HXUWFJFHSA-N 1 1 331.504 2.685 20 10 EFCDMO CC(C)[C@H]1C[N@@H+](Cc2ccc(N3CCN(C)CC3)cc2)CCCO1 ZINC000816675921 1288241353 /nfs/dbraw/zinc/24/13/53/1288241353.db2.gz OPWBZMSGQZKJHC-HXUWFJFHSA-N 1 1 331.504 2.685 20 10 EFCDMO CCCN(Cc1ccccc1O)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC000816914460 1288330471 /nfs/dbraw/zinc/33/04/71/1288330471.db2.gz RAZOBVCNMXWSIP-INIZCTEOSA-N 1 1 327.428 2.898 20 10 EFCDMO CCN(CC)c1ccc(CNC(=O)N(C)C[C@@H]2CCC[N@H+]2C)cc1 ZINC000817153472 1288444399 /nfs/dbraw/zinc/44/43/99/1288444399.db2.gz CORMZYNFEYLKKD-SFHVURJKSA-N 1 1 332.492 2.768 20 10 EFCDMO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000817171591 1288448002 /nfs/dbraw/zinc/44/80/02/1288448002.db2.gz YLRPVNHSVLMLBZ-APWZRJJASA-N 1 1 346.519 2.728 20 10 EFCDMO Cc1cc(Br)c(O)c(C[N@@H+]2C[C@@H](C)C[C@H](CO)C2)c1 ZINC000817411977 1288590257 /nfs/dbraw/zinc/59/02/57/1288590257.db2.gz AKUSXKBIJVRQJP-RYUDHWBXSA-N 1 1 328.250 2.913 20 10 EFCDMO Cc1cc(Br)c(O)c(C[N@H+]2C[C@@H](C)C[C@H](CO)C2)c1 ZINC000817411977 1288590260 /nfs/dbraw/zinc/59/02/60/1288590260.db2.gz AKUSXKBIJVRQJP-RYUDHWBXSA-N 1 1 328.250 2.913 20 10 EFCDMO COc1cccc(CNC(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)c1O ZINC000822527072 1289009523 /nfs/dbraw/zinc/00/95/23/1289009523.db2.gz YJYLMABQHPYBCS-OAHLLOKOSA-N 1 1 347.459 2.607 20 10 EFCDMO Cc1cccc(C[N@@H+](C)CCCN2C(=O)c3ccccc3C2=O)c1O ZINC000822526844 1289009540 /nfs/dbraw/zinc/00/95/40/1289009540.db2.gz ZQCYUPYNFXGIQU-UHFFFAOYSA-N 1 1 338.407 2.819 20 10 EFCDMO COC(=O)c1c(C[N@H+]2CCCC[C@@](O)(CF)C2)c2ccccc2n1C ZINC001232401720 1312693782 /nfs/dbraw/zinc/69/37/82/1312693782.db2.gz CIJUJHKKHLNYQH-LJQANCHMSA-N 1 1 348.418 2.651 20 10 EFCDMO 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/nfs/dbraw/zinc/69/52/95/1312695295.db2.gz WTGZIGGUGSGLJA-HNNXBMFYSA-N 1 1 343.471 2.879 20 10 EFCDMO COC(=O)c1c(C[N@H+]2CCCOC(C)(C)C2)c2ccccc2n1C ZINC001232406872 1312695469 /nfs/dbraw/zinc/69/54/69/1312695469.db2.gz IXGKUPCOQPCARY-UHFFFAOYSA-N 1 1 330.428 2.966 20 10 EFCDMO COC(=O)c1c(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)c2ccccc2n1C ZINC001232405572 1312695523 /nfs/dbraw/zinc/69/55/23/1312695523.db2.gz MXJBQNLLKQVVOF-DYVFJYSZSA-N 1 1 328.412 2.576 20 10 EFCDMO Cc1nccnc1[C@@H](C)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000903449348 1312695816 /nfs/dbraw/zinc/69/58/16/1312695816.db2.gz XQDQARLHFPLOFQ-QAPCUYQASA-N 1 1 327.476 2.805 20 10 EFCDMO CCNC(=O)C[N@H+](C)Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000823413989 1289296858 /nfs/dbraw/zinc/29/68/58/1289296858.db2.gz QCAYEPNORCYDKQ-UHFFFAOYSA-N 1 1 331.485 2.952 20 10 EFCDMO CCNC(=O)C[N@@H+](C)Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000823413989 1289296868 /nfs/dbraw/zinc/29/68/68/1289296868.db2.gz QCAYEPNORCYDKQ-UHFFFAOYSA-N 1 1 331.485 2.952 20 10 EFCDMO CN1CCN(C2CC[NH+](Cc3c(O)ccc4ccccc43)CC2)CC1 ZINC000872732510 1289345202 /nfs/dbraw/zinc/34/52/02/1289345202.db2.gz WMUURSXUAYZVLV-UHFFFAOYSA-N 1 1 339.483 2.757 20 10 EFCDMO Cc1cc(O)c(CN2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)cc1Cl ZINC000825628956 1289390541 /nfs/dbraw/zinc/39/05/41/1289390541.db2.gz NZQDWBUARRKRGP-ZDUSSCGKSA-N 1 1 326.868 2.631 20 10 EFCDMO CN(C)c1ccc(/C=C/C(=O)N2CC3(C2)CC[N@@H+](CC2CC2)C3)cc1 ZINC001180125248 1289427329 /nfs/dbraw/zinc/42/73/29/1289427329.db2.gz AJWJLYAJDMPOLP-JXMROGBWSA-N 1 1 339.483 2.710 20 10 EFCDMO CCN1CCN(c2ccc(C[NH2+][C@H]3CSC[C@H]3C)cc2F)CC1 ZINC000823801481 1289462000 /nfs/dbraw/zinc/46/20/00/1289462000.db2.gz GOQCKVVYMGVKLH-PBHICJAKSA-N 1 1 337.508 2.809 20 10 EFCDMO COc1ccc(CNC2CC[NH+](C3CC3)CC2)cc1Cn1cccn1 ZINC000873009955 1289517140 /nfs/dbraw/zinc/51/71/40/1289517140.db2.gz XRESBLOFTWBASK-UHFFFAOYSA-N 1 1 340.471 2.656 20 10 EFCDMO CC[C@H](CNCc1ccc(OC)c(Cn2cccn2)c1)[NH+]1CCCC1 ZINC000873013015 1289519836 /nfs/dbraw/zinc/51/98/36/1289519836.db2.gz QUKJNIUQJAXOLM-LJQANCHMSA-N 1 1 342.487 2.904 20 10 EFCDMO CCCOc1ccc(C[NH2+]C[C@H](C)CN2CCN(C)CC2)cc1C ZINC000873043930 1289537306 /nfs/dbraw/zinc/53/73/06/1289537306.db2.gz WUVGLDVVMQUNHU-KRWDZBQOSA-N 1 1 333.520 2.757 20 10 EFCDMO COc1ccc(CNC[C@H](C)[N@H+](C)C2CC2)cc1Cn1cccn1 ZINC000873045752 1289538503 /nfs/dbraw/zinc/53/85/03/1289538503.db2.gz KYJCSOYCAKWBBG-HNNXBMFYSA-N 1 1 328.460 2.512 20 10 EFCDMO COc1ccc(CNC[C@H](C)[N@@H+](C)C2CC2)cc1Cn1cccn1 ZINC000873045752 1289538508 /nfs/dbraw/zinc/53/85/08/1289538508.db2.gz KYJCSOYCAKWBBG-HNNXBMFYSA-N 1 1 328.460 2.512 20 10 EFCDMO COc1ccc(CN[C@@H]2CC[N@H+](C(C)(C)C)C2)cc1Cn1cccn1 ZINC000873135621 1289591348 /nfs/dbraw/zinc/59/13/48/1289591348.db2.gz YWHXTGGSWZAXFT-GOSISDBHSA-N 1 1 342.487 2.902 20 10 EFCDMO COc1ccc(C[NH2+][C@@H]2CCN(C(C)(C)C)C2)cc1Cn1cccn1 ZINC000873135621 1289591355 /nfs/dbraw/zinc/59/13/55/1289591355.db2.gz YWHXTGGSWZAXFT-GOSISDBHSA-N 1 1 342.487 2.902 20 10 EFCDMO COc1ccc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cc1Cn1cccn1 ZINC000873142723 1289596460 /nfs/dbraw/zinc/59/64/60/1289596460.db2.gz VDZVPRHPJLDZBN-GOSISDBHSA-N 1 1 342.487 2.762 20 10 EFCDMO COc1ccc(CNC[C@H]2CCCC[N@H+](C)C2)cc1Cn1cccn1 ZINC000873142723 1289596464 /nfs/dbraw/zinc/59/64/64/1289596464.db2.gz VDZVPRHPJLDZBN-GOSISDBHSA-N 1 1 342.487 2.762 20 10 EFCDMO COc1ccc(CNC[C@H]2CCCC[N@@H+](C)C2)cc1Cn1cccn1 ZINC000873142723 1289596472 /nfs/dbraw/zinc/59/64/72/1289596472.db2.gz VDZVPRHPJLDZBN-GOSISDBHSA-N 1 1 342.487 2.762 20 10 EFCDMO C[C@H]1CN(Cc2ccc(N3CCOCC3)c(F)c2)CC[N@H+](C2CC2)C1 ZINC000824446457 1289652874 /nfs/dbraw/zinc/65/28/74/1289652874.db2.gz XIZFDNDXKCNFTH-INIZCTEOSA-N 1 1 347.478 2.578 20 10 EFCDMO CCOC(=O)C1CC[NH+](Cc2ccc(Br)cc2O)CC1 ZINC000824484719 1289664287 /nfs/dbraw/zinc/66/42/87/1289664287.db2.gz RKDMMRHWPWPJDS-UHFFFAOYSA-N 1 1 342.233 2.930 20 10 EFCDMO CCC[N@@H+](Cc1cc(Cl)c(C)cc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000824521401 1289681853 /nfs/dbraw/zinc/68/18/53/1289681853.db2.gz FGQBBXXWHWRODW-CYBMUJFWSA-N 1 1 331.865 2.753 20 10 EFCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@H]2Cc3ccccc3CN2)c1 ZINC000873293017 1289707345 /nfs/dbraw/zinc/70/73/45/1289707345.db2.gz HPCSRFKSOVFPOW-CXAGYDPISA-N 1 1 340.423 2.544 20 10 EFCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2Cc3ccccc3CN2)c1 ZINC000873293018 1289707358 /nfs/dbraw/zinc/70/73/58/1289707358.db2.gz HPCSRFKSOVFPOW-DYVFJYSZSA-N 1 1 340.423 2.544 20 10 EFCDMO CC(C)=CC[N@H+]1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001016367043 1312745922 /nfs/dbraw/zinc/74/59/22/1312745922.db2.gz HRFAGFHWSRLWKD-HNNXBMFYSA-N 1 1 329.404 2.619 20 10 EFCDMO CC1CC(C[N@H+]2CC[C@@H](NC(=O)c3ccc(N=NC(N)=O)cc3)C2)C1 ZINC001016370019 1312748130 /nfs/dbraw/zinc/74/81/30/1312748130.db2.gz XJAYNEHHWVQAQF-SEEARECTSA-N 1 1 343.431 2.699 20 10 EFCDMO CN1CCCc2cc(CNC(=O)[C@@H]3CC[N@H+]3C3CCCC3)ccc21 ZINC000874251487 1290236441 /nfs/dbraw/zinc/23/64/41/1290236441.db2.gz LJBFRTZHPMPTAJ-IBGZPJMESA-N 1 1 327.472 2.702 20 10 EFCDMO COc1cc(Br)cc(C[N@@H+]2CCC[C@H](OC)C2)c1O ZINC000091772307 1290429012 /nfs/dbraw/zinc/42/90/12/1290429012.db2.gz LLPISADTPRSMOW-LBPRGKRZSA-N 1 1 330.222 2.774 20 10 EFCDMO CN(C)c1ccc(C[N@H+]2CCC[C@H](NC(=O)OC(C)(C)C)C2)c(O)c1 ZINC001232833515 1312790413 /nfs/dbraw/zinc/79/04/13/1312790413.db2.gz AHPNCVOEVHHYMP-HNNXBMFYSA-N 1 1 349.475 2.947 20 10 EFCDMO CN(C)c1ccc(C[N@@H+](C)CCN(C)C(=O)OC(C)(C)C)c(O)c1 ZINC001232834816 1312790818 /nfs/dbraw/zinc/79/08/18/1312790818.db2.gz NMJWEDXTPIUSHV-UHFFFAOYSA-N 1 1 337.464 2.757 20 10 EFCDMO CN(C)c1ccc(C[N@H+]2CCCN(c3ccc(F)cn3)CC2)c(O)c1 ZINC001232835162 1312791073 /nfs/dbraw/zinc/79/10/73/1312791073.db2.gz YDEVOISJMWRCOQ-UHFFFAOYSA-N 1 1 344.434 2.705 20 10 EFCDMO CN(C)c1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)c(O)c1 ZINC001232836030 1312791805 /nfs/dbraw/zinc/79/18/05/1312791805.db2.gz KGOCVSCXWPNEOT-HOTGVXAUSA-N 1 1 347.459 2.652 20 10 EFCDMO CN(C)c1ccc(C[N@H+]2CCCC[C@](O)(C(F)(F)F)C2)c(O)c1 ZINC001232836534 1312791918 /nfs/dbraw/zinc/79/19/18/1312791918.db2.gz PJCVNDBTDVFLFW-OAHLLOKOSA-N 1 1 332.366 2.738 20 10 EFCDMO CN(C)c1ccc(C[N@@H+](C)CCCC(=O)c2cccnc2)c(O)c1 ZINC001232839320 1312792530 /nfs/dbraw/zinc/79/25/30/1312792530.db2.gz GBBBXNCQCFQBCM-UHFFFAOYSA-N 1 1 327.428 2.948 20 10 EFCDMO CCc1noc([C@H]2CCC[N@@H+](Cc3ccc(N(C)C)cc3O)C2)n1 ZINC001232840080 1312792534 /nfs/dbraw/zinc/79/25/34/1312792534.db2.gz LZPXPUDCOJPHLY-AWEZNQCLSA-N 1 1 330.432 2.783 20 10 EFCDMO CC[C@@H]1[N@@H+](Cc2ccc(N(C)C)cc2O)CCC[C@]12CCC(=O)N2C ZINC001232838249 1312792660 /nfs/dbraw/zinc/79/26/60/1312792660.db2.gz RHXUTRBFNDEBEB-ICSRJNTNSA-N 1 1 345.487 2.824 20 10 EFCDMO COc1ccc(O[C@@H]2CC[N@@H+](Cc3ccc(N(C)C)cc3O)C2)nc1 ZINC001232841538 1312792801 /nfs/dbraw/zinc/79/28/01/1312792801.db2.gz IVJREUOHZPQZAH-QGZVFWFLSA-N 1 1 343.427 2.515 20 10 EFCDMO CC[N@@H+](CCNC(=O)OC(C)(C)C)Cc1ccc(N(C)C)cc1O ZINC001232840858 1312792908 /nfs/dbraw/zinc/79/29/08/1312792908.db2.gz MLQZPMBVZRUKQA-UHFFFAOYSA-N 1 1 337.464 2.805 20 10 EFCDMO Cc1ccc(O[C@@H]2CC[N@H+](Cc3ccc(N(C)C)cc3O)C2)nc1 ZINC001232841351 1312793148 /nfs/dbraw/zinc/79/31/48/1312793148.db2.gz DIVNOQILPIPNSK-QGZVFWFLSA-N 1 1 327.428 2.815 20 10 EFCDMO Cc1nccnc1O[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2O)C1 ZINC001232841545 1312793179 /nfs/dbraw/zinc/79/31/79/1312793179.db2.gz JEJPSCKRSXUPPF-QGZVFWFLSA-N 1 1 342.443 2.600 20 10 EFCDMO CN(C)c1ccc(C[N@H+]2CCN3CCc4ccccc4[C@@H]3C2)c(O)c1 ZINC001232840664 1312793248 /nfs/dbraw/zinc/79/32/48/1312793248.db2.gz GBJKFGPLJOYKGG-FQEVSTJZSA-N 1 1 337.467 2.873 20 10 EFCDMO CCOC(=O)[C@@H]1CCC[N@H+](Cc2cccc(Br)c2O)C1 ZINC000092456266 1290756061 /nfs/dbraw/zinc/75/60/61/1290756061.db2.gz YXJWAXAHTPGYHS-GFCCVEGCSA-N 1 1 342.233 2.930 20 10 EFCDMO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000092456266 1290756066 /nfs/dbraw/zinc/75/60/66/1290756066.db2.gz YXJWAXAHTPGYHS-GFCCVEGCSA-N 1 1 342.233 2.930 20 10 EFCDMO Cc1ccc(C[N@H+](C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)c(O)c1 ZINC000876546246 1290939299 /nfs/dbraw/zinc/93/92/99/1290939299.db2.gz UJUUIDQRFRTHET-CYBMUJFWSA-N 1 1 334.441 2.541 20 10 EFCDMO Cc1ccc(C[N@H+](C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)c(O)c1 ZINC000876546247 1290939813 /nfs/dbraw/zinc/93/98/13/1290939813.db2.gz UJUUIDQRFRTHET-ZDUSSCGKSA-N 1 1 334.441 2.541 20 10 EFCDMO Oc1ccc2c(c1)C[N@@H+](Cc1ccc(N3CCC(O)CC3)cc1)CC2 ZINC000876615698 1290956440 /nfs/dbraw/zinc/95/64/40/1290956440.db2.gz AIFJCJPBZUAUHC-UHFFFAOYSA-N 1 1 338.451 2.912 20 10 EFCDMO OC1CCN(c2ccc(C[N@@H+]3CCC[C@@H]3CN3CCCC3)cc2)CC1 ZINC000876645797 1290965145 /nfs/dbraw/zinc/96/51/45/1290965145.db2.gz RHIUKDHCEQWWJE-HXUWFJFHSA-N 1 1 343.515 2.708 20 10 EFCDMO OC1CCN(c2ccc(C[N@H+]3CCC[C@@H]3CN3CCCC3)cc2)CC1 ZINC000876645797 1290965152 /nfs/dbraw/zinc/96/51/52/1290965152.db2.gz RHIUKDHCEQWWJE-HXUWFJFHSA-N 1 1 343.515 2.708 20 10 EFCDMO CCOC[C@H]1CCC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876738634 1290997407 /nfs/dbraw/zinc/99/74/07/1290997407.db2.gz INRIZVKXFDJDTD-SFHVURJKSA-N 1 1 332.488 2.896 20 10 EFCDMO CC[N@@H+](C)Cc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1O ZINC001232980648 1312825028 /nfs/dbraw/zinc/82/50/28/1312825028.db2.gz MEYOCUZECCOUMH-UHFFFAOYSA-N 1 1 349.475 2.901 20 10 EFCDMO OC1CCN(c2ccc(C[N@H+]3CC[C@@H]([C@@H]4CCOC4)C3)cc2)CC1 ZINC000876781821 1291023812 /nfs/dbraw/zinc/02/38/12/1291023812.db2.gz NVURLCFATBNENM-QZTJIDSGSA-N 1 1 330.472 2.506 20 10 EFCDMO COCC[N@H+](CCN(C)C)Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000825915847 1291030411 /nfs/dbraw/zinc/03/04/11/1291030411.db2.gz BSGVULZMUPQQBS-UHFFFAOYSA-N 1 1 338.492 2.708 20 10 EFCDMO COCC[N@@H+](CCN(C)C)Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000825915847 1291030420 /nfs/dbraw/zinc/03/04/20/1291030420.db2.gz BSGVULZMUPQQBS-UHFFFAOYSA-N 1 1 338.492 2.708 20 10 EFCDMO C[N@@H+](CCCCNC(=O)OC(C)(C)C)Cc1cc(O)c(O)c(O)c1 ZINC001233015508 1312832317 /nfs/dbraw/zinc/83/23/17/1312832317.db2.gz PYIBFSRCDWHZDZ-UHFFFAOYSA-N 1 1 340.420 2.540 20 10 EFCDMO C[C@H](CNCc1ccc(N2CCC(O)CC2)cc1)C[NH+]1CCCCC1 ZINC000876948551 1291082138 /nfs/dbraw/zinc/08/21/38/1291082138.db2.gz NNDBJMLLCBLQQA-GOSISDBHSA-N 1 1 345.531 2.859 20 10 EFCDMO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000876964733 1291088598 /nfs/dbraw/zinc/08/85/98/1291088598.db2.gz OLSKYUVTXKRGTK-ROUUACIJSA-N 1 1 345.531 2.858 20 10 EFCDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000876964733 1291088609 /nfs/dbraw/zinc/08/86/09/1291088609.db2.gz OLSKYUVTXKRGTK-ROUUACIJSA-N 1 1 345.531 2.858 20 10 EFCDMO Cc1cccc(OC2CC[NH+](Cc3cc(O)c(O)c(O)c3)CC2)n1 ZINC001233016387 1312833001 /nfs/dbraw/zinc/83/30/01/1312833001.db2.gz VKPHWRKPXYKRRB-UHFFFAOYSA-N 1 1 330.384 2.550 20 10 EFCDMO CC(C)c1noc([C@@H]2CCC[N@H+](Cc3cc(O)c(O)c(O)c3)C2)n1 ZINC001233016837 1312833167 /nfs/dbraw/zinc/83/31/67/1312833167.db2.gz PWTLOEHKUCWCGX-GFCCVEGCSA-N 1 1 333.388 2.689 20 10 EFCDMO CC(C)c1noc([C@@H]2CCC[N@@H+](Cc3cc(O)c(O)c(O)c3)C2)n1 ZINC001233016837 1312833169 /nfs/dbraw/zinc/83/31/69/1312833169.db2.gz PWTLOEHKUCWCGX-GFCCVEGCSA-N 1 1 333.388 2.689 20 10 EFCDMO COC(=O)[C@H]1CC[N@H+](Cc2cc(O)c(O)c(O)c2)[C@H]1c1ccccc1 ZINC001233016874 1312833344 /nfs/dbraw/zinc/83/33/44/1312833344.db2.gz AXHQHSCHPLCARR-YOEHRIQHSA-N 1 1 343.379 2.540 20 10 EFCDMO COC(=O)[C@H]1CC[N@@H+](Cc2cc(O)c(O)c(O)c2)[C@H]1c1ccccc1 ZINC001233016874 1312833348 /nfs/dbraw/zinc/83/33/48/1312833348.db2.gz AXHQHSCHPLCARR-YOEHRIQHSA-N 1 1 343.379 2.540 20 10 EFCDMO C[NH+](C)C1CCN(Cc2c(O)cc(Br)cc2F)CC1 ZINC001233027440 1312835518 /nfs/dbraw/zinc/83/55/18/1312835518.db2.gz RNWLYGJGJCSNAS-UHFFFAOYSA-N 1 1 331.229 2.820 20 10 EFCDMO CN(CC[NH+]1CCCC1)Cc1c(O)cc(Br)cc1F ZINC001233031593 1312837006 /nfs/dbraw/zinc/83/70/06/1312837006.db2.gz HVAGEGBBLFUOOM-UHFFFAOYSA-N 1 1 331.229 2.821 20 10 EFCDMO C[N@@H+](Cc1cc(Cl)ccc1O)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000093646795 1291184055 /nfs/dbraw/zinc/18/40/55/1291184055.db2.gz JAEJSAGNBCQAFD-ZFWWWQNUSA-N 1 1 331.865 2.833 20 10 EFCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@@H](CN3CCOCC3)C2)cc1F ZINC000093664410 1291189589 /nfs/dbraw/zinc/18/95/89/1291189589.db2.gz MODPTSFZPUFCNF-SFHVURJKSA-N 1 1 349.494 2.826 20 10 EFCDMO CC[N@@H+]1CCN(Cc2c(O)cc(Br)cc2F)[C@H](C)C1 ZINC001233033676 1312838329 /nfs/dbraw/zinc/83/83/29/1312838329.db2.gz TZDYRSPWNPYNTI-SNVBAGLBSA-N 1 1 331.229 2.820 20 10 EFCDMO CC[N@H+]1CCN(Cc2c(O)cc(Br)cc2F)[C@H](C)C1 ZINC001233033676 1312838330 /nfs/dbraw/zinc/83/83/30/1312838330.db2.gz TZDYRSPWNPYNTI-SNVBAGLBSA-N 1 1 331.229 2.820 20 10 EFCDMO C[C@@H]1C[C@H](N2CCOCC2)C[N@H+]1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000795693150 1291206278 /nfs/dbraw/zinc/20/62/78/1291206278.db2.gz RXICSMMBYHLCPL-PBHICJAKSA-N 1 1 348.487 2.690 20 10 EFCDMO CC1(C)C[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)[C@@H]2COC[C@@H]21 ZINC000877576458 1291279401 /nfs/dbraw/zinc/27/94/01/1291279401.db2.gz LEWMGBZQEPROSG-RBUKOAKNSA-N 1 1 330.472 2.505 20 10 EFCDMO Cc1ccc(C[N@@H+](C)CC(=O)Nc2ccc3c(c2)OCCO3)c(O)c1 ZINC000877660153 1291317012 /nfs/dbraw/zinc/31/70/12/1291317012.db2.gz GEDRYZOCLCWADZ-UHFFFAOYSA-N 1 1 342.395 2.542 20 10 EFCDMO CC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccc(Br)cc1O ZINC000877675759 1291324808 /nfs/dbraw/zinc/32/48/08/1291324808.db2.gz TUEQMMYLQFQIQI-CQSZACIVSA-N 1 1 341.249 2.645 20 10 EFCDMO CC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccc(Br)cc1O ZINC000877675759 1291324819 /nfs/dbraw/zinc/32/48/19/1291324819.db2.gz TUEQMMYLQFQIQI-CQSZACIVSA-N 1 1 341.249 2.645 20 10 EFCDMO Cc1cc(Br)cc(C[N@@H+]2CCc3nccn3CC2)c1O ZINC001233109633 1312856033 /nfs/dbraw/zinc/85/60/33/1312856033.db2.gz DRBDZCJTTJDUCM-UHFFFAOYSA-N 1 1 336.233 2.718 20 10 EFCDMO Cc1cc(Br)cc(CN2C[C@H]3CCC[N@H+](C)[C@H]3C2)c1O ZINC001233111177 1312856924 /nfs/dbraw/zinc/85/69/24/1312856924.db2.gz KAECIKZNLYEINJ-DOMZBBRYSA-N 1 1 339.277 2.989 20 10 EFCDMO Cc1cc(Br)cc(C[N@H+]2C[C@H]3CCCN(C)[C@H]3C2)c1O ZINC001233111177 1312856926 /nfs/dbraw/zinc/85/69/26/1312856926.db2.gz KAECIKZNLYEINJ-DOMZBBRYSA-N 1 1 339.277 2.989 20 10 EFCDMO Cc1cc(Br)cc(C[N@@H+]2C[C@H]3CCCN(C)[C@H]3C2)c1O ZINC001233111177 1312856930 /nfs/dbraw/zinc/85/69/30/1312856930.db2.gz KAECIKZNLYEINJ-DOMZBBRYSA-N 1 1 339.277 2.989 20 10 EFCDMO COc1cc(O)c(C[N@@H+](C)[C@H]2CCCOC2)cc1Br ZINC001233142259 1312865378 /nfs/dbraw/zinc/86/53/78/1312865378.db2.gz NEXIDVVBTBDRHA-NSHDSACASA-N 1 1 330.222 2.774 20 10 EFCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+](C)[C@@H]1CCCC[C@H]1C)cc2=O ZINC000249721258 1291672236 /nfs/dbraw/zinc/67/22/36/1291672236.db2.gz MJGLDTHDFROBQM-IUODEOHRSA-N 1 1 346.431 2.622 20 10 EFCDMO CCN(C)c1ccc(C[NH2+][C@@H](c2nccn2C)C(C)(C)CO)cc1 ZINC000878871934 1291837583 /nfs/dbraw/zinc/83/75/83/1291837583.db2.gz QNXPUISYOUEKNV-KRWDZBQOSA-N 1 1 330.476 2.726 20 10 EFCDMO CCOC(=O)c1c(C[N@H+](C)C2CCN(C)CC2)c2ccccc2n1C ZINC001233270661 1312889933 /nfs/dbraw/zinc/88/99/33/1312889933.db2.gz VPZHFMMHGLSUEY-UHFFFAOYSA-N 1 1 343.471 2.881 20 10 EFCDMO CCOC(=O)c1c(C[N@@H+](C)C2CCN(C)CC2)c2ccccc2n1C ZINC001233270661 1312889937 /nfs/dbraw/zinc/88/99/37/1312889937.db2.gz VPZHFMMHGLSUEY-UHFFFAOYSA-N 1 1 343.471 2.881 20 10 EFCDMO CCOC(=O)c1c(C[N@H+]2CCCO[C@H](C)C2)c2ccccc2n1C ZINC001233270315 1312890336 /nfs/dbraw/zinc/89/03/36/1312890336.db2.gz JAUHFRYHUGYZOQ-CQSZACIVSA-N 1 1 330.428 2.966 20 10 EFCDMO CCOC(=O)c1c(C[N@H+]2CCC[C@@H](OC)C2)c2ccccc2n1C ZINC001233270713 1312890552 /nfs/dbraw/zinc/89/05/52/1312890552.db2.gz XQAQNIDINDXYET-CQSZACIVSA-N 1 1 330.428 2.966 20 10 EFCDMO CC(C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cc(C(C)(C)C)ccc3O)C[C@H]21 ZINC001233285414 1312895034 /nfs/dbraw/zinc/89/50/34/1312895034.db2.gz FLAGSDPUNDZAPH-VQFNDLOPSA-N 1 1 330.472 2.892 20 10 EFCDMO CC(C)(C)c1ccc(O)c(CN2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC001233286393 1312895501 /nfs/dbraw/zinc/89/55/01/1312895501.db2.gz RWXZAVZGFOUGMY-SFHVURJKSA-N 1 1 332.488 2.986 20 10 EFCDMO CC(C)(C)c1ccc(O)c(C[N@H+]2Cc3ccnn3CC[C@H]2CO)c1 ZINC001233286969 1312895660 /nfs/dbraw/zinc/89/56/60/1312895660.db2.gz QRICLPFAMVDWNE-KRWDZBQOSA-N 1 1 329.444 2.653 20 10 EFCDMO COc1cc(Cl)cc(C[N@H+]2CC[C@H](Oc3ncncc3C)C2)c1O ZINC001233290952 1312895952 /nfs/dbraw/zinc/89/59/52/1312895952.db2.gz FBUILFURIKJJCL-AWEZNQCLSA-N 1 1 349.818 2.806 20 10 EFCDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@@]3(CCCC(=O)N3)C2)c1O ZINC001233289442 1312896019 /nfs/dbraw/zinc/89/60/19/1312896019.db2.gz WIHNNCMDZDEBCJ-KRWDZBQOSA-N 1 1 338.835 2.689 20 10 EFCDMO COc1cc(Cl)cc(C[N@@H+](C(C)C)[C@H]2CCN(C(C)=O)C2)c1O ZINC001233290446 1312896356 /nfs/dbraw/zinc/89/63/56/1312896356.db2.gz CUCDQWWQULBGKT-HNNXBMFYSA-N 1 1 340.851 2.885 20 10 EFCDMO CCOC(=O)[C@H]1C[N@H+](Cc2cc(Cl)cc(OC)c2O)CCS1 ZINC001233290505 1312896583 /nfs/dbraw/zinc/89/65/83/1312896583.db2.gz GIWUPTBPTZPWJF-CYBMUJFWSA-N 1 1 345.848 2.535 20 10 EFCDMO CCOC(=O)[C@H]1C[N@@H+](Cc2cc(Cl)cc(OC)c2O)CCS1 ZINC001233290505 1312896587 /nfs/dbraw/zinc/89/65/87/1312896587.db2.gz GIWUPTBPTZPWJF-CYBMUJFWSA-N 1 1 345.848 2.535 20 10 EFCDMO CCOC(=O)C1(F)CC[NH+](Cc2cc(Cl)cc(OC)c2O)CC1 ZINC001233289789 1312896707 /nfs/dbraw/zinc/89/67/07/1312896707.db2.gz OPBQRNBKVGJUQY-UHFFFAOYSA-N 1 1 345.798 2.921 20 10 EFCDMO CCOC(=O)c1nc(C[NH2+][C@@H](C)c2cc(OC)ccc2O)cs1 ZINC000775376067 1292118428 /nfs/dbraw/zinc/11/84/28/1292118428.db2.gz RVINBOJMTBFEPI-JTQLQIEISA-N 1 1 336.413 2.885 20 10 EFCDMO CN1c2ccccc2[C@@]2(CC[N@H+](Cc3c(O)ccc(F)c3F)C2)C1=O ZINC001233334242 1312906240 /nfs/dbraw/zinc/90/62/40/1312906240.db2.gz YXAIARRIWUQMPW-IBGZPJMESA-N 1 1 344.361 2.791 20 10 EFCDMO CN1c2ccccc2[C@@]2(CC[N@@H+](Cc3c(O)ccc(F)c3F)C2)C1=O ZINC001233334242 1312906243 /nfs/dbraw/zinc/90/62/43/1312906243.db2.gz YXAIARRIWUQMPW-IBGZPJMESA-N 1 1 344.361 2.791 20 10 EFCDMO CCC[N@H+](Cc1c(O)ccc(F)c1F)C1CCN(C(C)=O)CC1 ZINC001233335290 1312906701 /nfs/dbraw/zinc/90/67/01/1312906701.db2.gz OTLGTDLGCNZQQZ-UHFFFAOYSA-N 1 1 326.387 2.893 20 10 EFCDMO CCC[N@@H+](Cc1c(O)ccc(F)c1F)C1CCN(C(C)=O)CC1 ZINC001233335290 1312906703 /nfs/dbraw/zinc/90/67/03/1312906703.db2.gz OTLGTDLGCNZQQZ-UHFFFAOYSA-N 1 1 326.387 2.893 20 10 EFCDMO CN(C)C(=O)[C@H]1CCC[N@H+](Cc2cccc(C(F)(F)F)c2O)C1 ZINC001233418761 1312928556 /nfs/dbraw/zinc/92/85/56/1312928556.db2.gz VCTVOZHPNBZMFU-LBPRGKRZSA-N 1 1 330.350 2.711 20 10 EFCDMO CN(C)C(=O)[C@H]1CCC[N@@H+](Cc2cccc(C(F)(F)F)c2O)C1 ZINC001233418761 1312928558 /nfs/dbraw/zinc/92/85/58/1312928558.db2.gz VCTVOZHPNBZMFU-LBPRGKRZSA-N 1 1 330.350 2.711 20 10 EFCDMO CCOC(=O)[C@@]12C[C@@H]1CC[N@@H+]2Cc1ccc(C(F)(F)F)cc1O ZINC001233452160 1312934765 /nfs/dbraw/zinc/93/47/65/1312934765.db2.gz MJEAVDIAOQTCDA-SWLSCSKDSA-N 1 1 329.318 2.939 20 10 EFCDMO CCOC(=O)[C@@]12C[C@@H]1CC[N@H+]2Cc1ccc(C(F)(F)F)cc1O ZINC001233452160 1312934768 /nfs/dbraw/zinc/93/47/68/1312934768.db2.gz MJEAVDIAOQTCDA-SWLSCSKDSA-N 1 1 329.318 2.939 20 10 EFCDMO COc1ncnc2c1CC[N@H+](Cc1ccc(C(F)(F)F)cc1O)C2 ZINC001233454046 1312934927 /nfs/dbraw/zinc/93/49/27/1312934927.db2.gz DXPGEIGYJBEDCZ-UHFFFAOYSA-N 1 1 339.317 2.768 20 10 EFCDMO COc1ncnc2c1CC[N@@H+](Cc1ccc(C(F)(F)F)cc1O)C2 ZINC001233454046 1312934929 /nfs/dbraw/zinc/93/49/29/1312934929.db2.gz DXPGEIGYJBEDCZ-UHFFFAOYSA-N 1 1 339.317 2.768 20 10 EFCDMO CN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ccc(C(F)(F)F)cc1O ZINC001233453140 1312935060 /nfs/dbraw/zinc/93/50/60/1312935060.db2.gz WTJUNILDBDZGFB-MRXNPFEDSA-N 1 1 342.361 2.998 20 10 EFCDMO Oc1cc(C(F)(F)F)ccc1C[N@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC001233452381 1312935379 /nfs/dbraw/zinc/93/53/79/1312935379.db2.gz UMVRDHDKNRZQNM-LLVKDONJSA-N 1 1 329.240 2.910 20 10 EFCDMO CCCCCNC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000128555835 1292587180 /nfs/dbraw/zinc/58/71/80/1292587180.db2.gz ACHGKAMROZWQNY-QGZVFWFLSA-N 1 1 347.503 2.650 20 10 EFCDMO COc1cc2c(cc1OC)[C@@H](C[N@@H+](C)Cc1cc(O)c(O)cc1O)C2 ZINC001233486397 1312940180 /nfs/dbraw/zinc/94/01/80/1312940180.db2.gz LTDNUBVUDRZBBR-GFCCVEGCSA-N 1 1 345.395 2.592 20 10 EFCDMO Cc1ccnc(O[C@H]2CCC[N@@H+](Cc3cc(O)c(O)cc3O)C2)c1 ZINC001233486827 1312940389 /nfs/dbraw/zinc/94/03/89/1312940389.db2.gz DTHIJEUOCZOSMY-AWEZNQCLSA-N 1 1 330.384 2.550 20 10 EFCDMO Oc1ccccc1C[N@@H+]1CCO[C@H]2[C@@H](Oc3ncccc3F)CC[C@@H]21 ZINC001203553056 1312955215 /nfs/dbraw/zinc/95/52/15/1312955215.db2.gz ZWEIXOOSQGPWDI-RYQLBKOJSA-N 1 1 344.386 2.737 20 10 EFCDMO Oc1ccccc1C[N@H+]1CCO[C@H]2[C@@H](Oc3ncccc3F)CC[C@@H]21 ZINC001203553056 1312955218 /nfs/dbraw/zinc/95/52/18/1312955218.db2.gz ZWEIXOOSQGPWDI-RYQLBKOJSA-N 1 1 344.386 2.737 20 10 EFCDMO CC(C)(C)OC(=O)NCC[C@H]1C[N@@H+](Cc2ccccc2O)CCO1 ZINC001203547764 1312952890 /nfs/dbraw/zinc/95/28/90/1312952890.db2.gz XEBSUTJDJYOTOQ-HNNXBMFYSA-N 1 1 336.432 2.508 20 10 EFCDMO O=C1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccccc2O)N1Cc1cccnc1 ZINC001203552768 1312954190 /nfs/dbraw/zinc/95/41/90/1312954190.db2.gz SMDCKQLJKMCMNN-QZTJIDSGSA-N 1 1 337.423 2.553 20 10 EFCDMO Oc1ccccc1C[N@H+]1CCC[C@@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001203552172 1312954391 /nfs/dbraw/zinc/95/43/91/1312954391.db2.gz CVDUPMDDSOTNPA-AZUAARDMSA-N 1 1 340.423 2.990 20 10 EFCDMO Oc1ccccc1C[N@@H+]1Cc2cncn2C[C@@H](COCC2CC2)C1 ZINC001203551351 1312954758 /nfs/dbraw/zinc/95/47/58/1312954758.db2.gz DQHLYICIBHGULL-INIZCTEOSA-N 1 1 327.428 2.647 20 10 EFCDMO Oc1ccccc1CN1C[C@@H]2C[N@@H+](CC3CCCC3)CCO[C@@H]2C1 ZINC001203556729 1312955593 /nfs/dbraw/zinc/95/55/93/1312955593.db2.gz VJIDPKFYSRZIMS-AZUAARDMSA-N 1 1 330.472 2.715 20 10 EFCDMO O=C(c1ccco1)N1C[C@H]2CCC[N@H+](Cc3ccccc3O)[C@H]2C1 ZINC001203556420 1312955766 /nfs/dbraw/zinc/95/57/66/1312955766.db2.gz PLFCNZIZPBCQOX-ZBFHGGJFSA-N 1 1 326.396 2.722 20 10 EFCDMO C[N@H+](Cc1ccccc1O)C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001203561530 1312956392 /nfs/dbraw/zinc/95/63/92/1312956392.db2.gz VUWVPHISXCWEQP-LJQANCHMSA-N 1 1 326.440 2.725 20 10 EFCDMO Oc1ccccc1C[N@H+]1CC[C@@H](Oc2cc(C(F)(F)F)ncn2)C1 ZINC001203562947 1312957131 /nfs/dbraw/zinc/95/71/31/1312957131.db2.gz QHXNVJIORGLWOS-GFCCVEGCSA-N 1 1 339.317 2.854 20 10 EFCDMO COc1cccc(C[N@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]32)c1O ZINC001203590281 1312965308 /nfs/dbraw/zinc/96/53/08/1312965308.db2.gz VSVKKGQKZOXBNN-CABCVRRESA-N 1 1 348.443 2.842 20 10 EFCDMO COc1cccc(C[N@H+]2CCC[C@H](Oc3ncncc3C)C2)c1O ZINC001203601702 1312967381 /nfs/dbraw/zinc/96/73/81/1312967381.db2.gz HQKOFFLWWWKFDF-HNNXBMFYSA-N 1 1 329.400 2.543 20 10 EFCDMO COc1cccc(C[NH+]2CCN(C(=O)c3ccccc3C)CC2)c1O ZINC001203600177 1312967492 /nfs/dbraw/zinc/96/74/92/1312967492.db2.gz VIGBVNDNVCPGIU-UHFFFAOYSA-N 1 1 340.423 2.667 20 10 EFCDMO CCOC[C@@H]1C[N@@H+](Cc2cccc(OCC)c2O)Cc2c1cnn2C ZINC001203603627 1312968088 /nfs/dbraw/zinc/96/80/88/1312968088.db2.gz UPTKTAFLQITNGJ-HNNXBMFYSA-N 1 1 345.443 2.660 20 10 EFCDMO COc1cccc(C[N@@H+]2CCC[C@@H](Oc3ncccc3OC)C2)c1O ZINC001203601881 1312968217 /nfs/dbraw/zinc/96/82/17/1312968217.db2.gz PKWKCPLZBAYMHQ-OAHLLOKOSA-N 1 1 344.411 2.848 20 10 EFCDMO CCOc1cccc(C[N@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)[C@@H]3C2)c1O ZINC001203615718 1312971927 /nfs/dbraw/zinc/97/19/27/1312971927.db2.gz YUEYXNVTUFSWKL-LSDHHAIUSA-N 1 1 348.443 2.842 20 10 EFCDMO CCOc1cccc(C[N@H+]2CC[C@@H](Oc3ccc(OC)cn3)C2)c1O ZINC001203617393 1312972432 /nfs/dbraw/zinc/97/24/32/1312972432.db2.gz PPMJYQJVTYHRMA-MRXNPFEDSA-N 1 1 344.411 2.848 20 10 EFCDMO CCOc1cccc(C[N@H+]2CCC[C@H](Oc3ncccn3)C2)c1O ZINC001203617163 1312972673 /nfs/dbraw/zinc/97/26/73/1312972673.db2.gz KSDGNPVNCBPVGN-HNNXBMFYSA-N 1 1 329.400 2.624 20 10 EFCDMO COc1ccc(C[N@H+]2CCC[C@@]3(C2)COCCN(C(C)C)C3)c(O)c1 ZINC001203622199 1312972991 /nfs/dbraw/zinc/97/29/91/1312972991.db2.gz TXTATPOMGYEJHY-FQEVSTJZSA-N 1 1 348.487 2.724 20 10 EFCDMO COc1ccc(CN2CCC[C@@]3(C2)COCC[N@@H+](C(C)C)C3)c(O)c1 ZINC001203622199 1312972993 /nfs/dbraw/zinc/97/29/93/1312972993.db2.gz TXTATPOMGYEJHY-FQEVSTJZSA-N 1 1 348.487 2.724 20 10 EFCDMO COc1ccc(CN2CCC[C@@]3(C2)COCC[N@H+](C(C)C)C3)c(O)c1 ZINC001203622199 1312972997 /nfs/dbraw/zinc/97/29/97/1312972997.db2.gz TXTATPOMGYEJHY-FQEVSTJZSA-N 1 1 348.487 2.724 20 10 EFCDMO COc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H]3C2)c(O)c1 ZINC001203621655 1312973162 /nfs/dbraw/zinc/97/31/62/1312973162.db2.gz FWKGFBSCOLWQPA-XJKSGUPXSA-N 1 1 348.443 2.842 20 10 EFCDMO CCOC[C@H]1C[N@@H+](Cc2ccc(OC)cc2O)Cc2cn(CC)nc21 ZINC001203623380 1312973992 /nfs/dbraw/zinc/97/39/92/1312973992.db2.gz OSUUAQPWDVAINY-MRXNPFEDSA-N 1 1 345.443 2.753 20 10 EFCDMO COc1ccc(CN2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c(O)c1 ZINC001203627734 1312975092 /nfs/dbraw/zinc/97/50/92/1312975092.db2.gz MIXIZGLLFGFKEH-OALUTQOASA-N 1 1 338.451 2.965 20 10 EFCDMO CCC[NH+](CCC)CCN1CCN(Cc2ccc(OC)cc2O)CC1 ZINC001203628984 1312975674 /nfs/dbraw/zinc/97/56/74/1312975674.db2.gz MCUAQOVLDQEHEU-UHFFFAOYSA-N 1 1 349.519 2.640 20 10 EFCDMO COC(=O)[C@@H]1C[N@@H+](Cc2ccc(OC)cc2O)C[C@@H]1c1ccccc1 ZINC001203635319 1312977237 /nfs/dbraw/zinc/97/72/37/1312977237.db2.gz PNRGSYKGHQDATC-QZTJIDSGSA-N 1 1 341.407 2.789 20 10 EFCDMO COc1ccc(C[N@H+]2CCC[C@@H](Oc3cc(C)ncn3)C2)c(O)c1 ZINC001203634998 1312977654 /nfs/dbraw/zinc/97/76/54/1312977654.db2.gz FOTGBSBSIJIJNH-MRXNPFEDSA-N 1 1 329.400 2.543 20 10 EFCDMO COC(=O)C[C@H]1CCC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC001203649946 1312980709 /nfs/dbraw/zinc/98/07/09/1312980709.db2.gz KBDSIYWYKJTVTR-LLVKDONJSA-N 1 1 342.233 2.930 20 10 EFCDMO COC(=O)CC[N@@H+](Cc1cc(Br)ccc1O)C1CC1 ZINC001203650388 1312980795 /nfs/dbraw/zinc/98/07/95/1312980795.db2.gz RAOZZXDFWHKXTM-UHFFFAOYSA-N 1 1 328.206 2.682 20 10 EFCDMO O=C(c1ccco1)N1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cc(Cl)ccc1O)C2 ZINC001203657506 1312982346 /nfs/dbraw/zinc/98/23/46/1312982346.db2.gz LPORYXKNTPKBTA-WFASDCNBSA-N 1 1 346.814 2.985 20 10 EFCDMO CCOC[C@H]1Cn2nccc2C[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC001203658384 1312982432 /nfs/dbraw/zinc/98/24/32/1312982432.db2.gz LHZMIYBLLTUTIS-CYBMUJFWSA-N 1 1 335.835 2.911 20 10 EFCDMO CCOC[C@H]1Cn2nccc2C[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC001203658384 1312982434 /nfs/dbraw/zinc/98/24/34/1312982434.db2.gz LHZMIYBLLTUTIS-CYBMUJFWSA-N 1 1 335.835 2.911 20 10 EFCDMO O=C(NC1CC1)[C@H]1C[C@H]2C[N@H+](Cc3cc(Cl)ccc3O)C[C@H]2C1 ZINC001203659422 1312983010 /nfs/dbraw/zinc/98/30/10/1312983010.db2.gz VJNQWKAYXNYHBY-XYYAHUGASA-N 1 1 334.847 2.782 20 10 EFCDMO Oc1c(CN2CC[N@H+]3CCCC[C@H]3C2)cccc1OC(F)(F)F ZINC001233754307 1312984625 /nfs/dbraw/zinc/98/46/25/1312984625.db2.gz CXXSEXCBDPRWAP-ZDUSSCGKSA-N 1 1 330.350 2.961 20 10 EFCDMO Oc1c(C[N@@H+]2CCN3CCCC[C@H]3C2)cccc1OC(F)(F)F ZINC001233754307 1312984629 /nfs/dbraw/zinc/98/46/29/1312984629.db2.gz CXXSEXCBDPRWAP-ZDUSSCGKSA-N 1 1 330.350 2.961 20 10 EFCDMO Oc1c(C[N@H+]2CCN3CCCC[C@H]3C2)cccc1OC(F)(F)F ZINC001233754307 1312984631 /nfs/dbraw/zinc/98/46/31/1312984631.db2.gz CXXSEXCBDPRWAP-ZDUSSCGKSA-N 1 1 330.350 2.961 20 10 EFCDMO C[N@H+]1C[C@@H]2CCCN(Cc3cccc(OC(F)(F)F)c3O)[C@@H]2C1 ZINC001233760084 1312985061 /nfs/dbraw/zinc/98/50/61/1312985061.db2.gz BMLGLJLCETVMJT-WCQYABFASA-N 1 1 330.350 2.817 20 10 EFCDMO CN1C[C@@H]2CCC[N@H+](Cc3cccc(OC(F)(F)F)c3O)[C@@H]2C1 ZINC001233760084 1312985064 /nfs/dbraw/zinc/98/50/64/1312985064.db2.gz BMLGLJLCETVMJT-WCQYABFASA-N 1 1 330.350 2.817 20 10 EFCDMO CN1C[C@@H]2CCC[N@@H+](Cc3cccc(OC(F)(F)F)c3O)[C@@H]2C1 ZINC001233760084 1312985067 /nfs/dbraw/zinc/98/50/67/1312985067.db2.gz BMLGLJLCETVMJT-WCQYABFASA-N 1 1 330.350 2.817 20 10 EFCDMO COc1ccc(O)c(C[N@H+]2CCC3(CN(C(=O)OC(C)(C)C)C3)C2)c1 ZINC001203669446 1312985043 /nfs/dbraw/zinc/98/50/43/1312985043.db2.gz CFYPJUBGQYROAC-UHFFFAOYSA-N 1 1 348.443 2.844 20 10 EFCDMO O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1ccc(O)c(O)c1Cl ZINC001193247233 1293213346 /nfs/dbraw/zinc/21/33/46/1293213346.db2.gz QBWOAMWBCGELLE-LLVKDONJSA-N 1 1 338.835 2.888 20 10 EFCDMO CC(C)[N@H+]1CC[C@H](NC(=O)c2ccc(O)c(O)c2Cl)[C@H](C)C1 ZINC001193255309 1293215917 /nfs/dbraw/zinc/21/59/17/1293215917.db2.gz UIESCQMHGSSWEZ-PWSUYJOCSA-N 1 1 326.824 2.600 20 10 EFCDMO COc1ccc(O)c(C[NH+]2CC3(C2)CCCN3C(=O)OC(C)(C)C)c1 ZINC001203670031 1312985500 /nfs/dbraw/zinc/98/55/00/1312985500.db2.gz KMBDIBLQEWPPKR-UHFFFAOYSA-N 1 1 348.443 2.986 20 10 EFCDMO C[N@@H+]1C[C@H]2[C@H](C1)CCCN2Cc1cccc(OC(F)(F)F)c1O ZINC001233760078 1312985635 /nfs/dbraw/zinc/98/56/35/1312985635.db2.gz BMLGLJLCETVMJT-AAEUAGOBSA-N 1 1 330.350 2.817 20 10 EFCDMO CN1C[C@H]2[C@H](C1)CCC[N@@H+]2Cc1cccc(OC(F)(F)F)c1O ZINC001233760078 1312985639 /nfs/dbraw/zinc/98/56/39/1312985639.db2.gz BMLGLJLCETVMJT-AAEUAGOBSA-N 1 1 330.350 2.817 20 10 EFCDMO CN1C[C@H]2[C@H](C1)CCC[N@H+]2Cc1cccc(OC(F)(F)F)c1O ZINC001233760078 1312985643 /nfs/dbraw/zinc/98/56/43/1312985643.db2.gz BMLGLJLCETVMJT-AAEUAGOBSA-N 1 1 330.350 2.817 20 10 EFCDMO COc1ccc(O)c(C[N@H+]2C[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]32)c1 ZINC001203671232 1312985859 /nfs/dbraw/zinc/98/58/59/1312985859.db2.gz LIGGJRJYUNSRLS-CZUORRHYSA-N 1 1 348.443 2.842 20 10 EFCDMO COc1ccc(O)c(C[N@H+]2CCC[C@@]3(C[C@H](OCC4CC4)CO3)C2)c1 ZINC001203671755 1312985911 /nfs/dbraw/zinc/98/59/11/1312985911.db2.gz WPEFZGIFNFZUPR-AZUAARDMSA-N 1 1 347.455 2.951 20 10 EFCDMO COc1ccc(O)c(C[N@@H+]2CCC[C@@H]3[C@H]2CN3C(=O)OC(C)(C)C)c1 ZINC001203671753 1312986115 /nfs/dbraw/zinc/98/61/15/1312986115.db2.gz WLWJWOSDFMDRRD-HZPDHXFCSA-N 1 1 348.443 2.985 20 10 EFCDMO COc1ccc(O)c(C[N@H+]2CCC[C@@H]3[C@H]2CN3C(=O)OC(C)(C)C)c1 ZINC001203671753 1312986120 /nfs/dbraw/zinc/98/61/20/1312986120.db2.gz WLWJWOSDFMDRRD-HZPDHXFCSA-N 1 1 348.443 2.985 20 10 EFCDMO CCOC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(OC(F)(F)F)c1O ZINC001233760512 1312986181 /nfs/dbraw/zinc/98/61/81/1312986181.db2.gz GGNFMOSETZLXPK-NSHDSACASA-N 1 1 333.306 2.818 20 10 EFCDMO CCOC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(OC(F)(F)F)c1O ZINC001233760512 1312986183 /nfs/dbraw/zinc/98/61/83/1312986183.db2.gz GGNFMOSETZLXPK-NSHDSACASA-N 1 1 333.306 2.818 20 10 EFCDMO COc1ccc(O)c(C[N@H+]2CCc3ncnc(C4CC4)c3CC2)c1 ZINC001203673342 1312986588 /nfs/dbraw/zinc/98/65/88/1312986588.db2.gz VUXVCIHTXAABMG-UHFFFAOYSA-N 1 1 325.412 2.669 20 10 EFCDMO COC(=O)[C@H]1C[N@@H+](Cc2cccc(OC(F)(F)F)c2O)C[C@@H]1C ZINC001233776620 1312990320 /nfs/dbraw/zinc/99/03/20/1312990320.db2.gz WBVULWWJIGVGQP-ONGXEEELSA-N 1 1 333.306 2.532 20 10 EFCDMO Oc1c(F)cc(F)cc1C[NH2+]C[C@@H](c1ccccc1)N1CCOCC1 ZINC000882882697 1293369103 /nfs/dbraw/zinc/36/91/03/1293369103.db2.gz WQYSEYIFUMQRQW-SFHVURJKSA-N 1 1 348.393 2.834 20 10 EFCDMO O=C1[C@@H]([NH2+]Cc2cc(F)cc(F)c2O)CCN1Cc1ccccc1 ZINC000882940915 1293393941 /nfs/dbraw/zinc/39/39/41/1293393941.db2.gz CVBYVKKEPSOIFB-INIZCTEOSA-N 1 1 332.350 2.561 20 10 EFCDMO C[C@@](O)(C[NH2+]Cc1cc(F)cc(F)c1O)c1ccc(F)cc1F ZINC000883000567 1293423077 /nfs/dbraw/zinc/42/30/77/1293423077.db2.gz FYQBVBVXFPWNAB-MRXNPFEDSA-N 1 1 329.293 2.946 20 10 EFCDMO Oc1c(F)cc(F)cc1C[NH2+]CCNc1nccc(C(F)(F)F)n1 ZINC000883016342 1293431354 /nfs/dbraw/zinc/43/13/54/1293431354.db2.gz WSGGEMNTSQPLRS-UHFFFAOYSA-N 1 1 348.275 2.681 20 10 EFCDMO CC[C@@H]([NH2+]Cc1cc(F)cc(F)c1O)C(=O)NCc1cccs1 ZINC000883152658 1293482999 /nfs/dbraw/zinc/48/29/99/1293482999.db2.gz CHIFBCCNJUXRIL-CQSZACIVSA-N 1 1 340.395 2.917 20 10 EFCDMO Cc1cc(Br)c(O)c(C[NH2+][C@@H]2CCCC23OCCO3)c1 ZINC000883179187 1293494560 /nfs/dbraw/zinc/49/45/60/1293494560.db2.gz QDTFZZQPWPTCFC-CYBMUJFWSA-N 1 1 342.233 2.848 20 10 EFCDMO C[C@H]([NH2+]Cc1cc(Br)cc(F)c1O)[C@H](O)C(F)(F)F ZINC000883194803 1293501843 /nfs/dbraw/zinc/50/18/43/1293501843.db2.gz DAPXXWMKHWGMBJ-RRAGMBSWSA-N 1 1 346.118 2.695 20 10 EFCDMO COCC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000883290016 1293532724 /nfs/dbraw/zinc/53/27/24/1293532724.db2.gz IHBMGLMGCXCTKY-QUCCMNQESA-N 1 1 331.504 2.733 20 10 EFCDMO CC[C@H](C)N1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1c(O)cc(O)cc1O ZINC001273671190 1293548345 /nfs/dbraw/zinc/54/83/45/1293548345.db2.gz XVVKESCAVALKME-DJJJIMSYSA-N 1 1 348.443 2.559 20 10 EFCDMO CC[C@@H](C)N1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1c(O)cc(O)cc1O ZINC001273671192 1293548438 /nfs/dbraw/zinc/54/84/38/1293548438.db2.gz XVVKESCAVALKME-YJYMSZOUSA-N 1 1 348.443 2.559 20 10 EFCDMO CC[C@H](F)C[N@@H+](C)[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001194367828 1293598284 /nfs/dbraw/zinc/59/82/84/1293598284.db2.gz NCPZLAWATZVSQI-DZGCQCFKSA-N 1 1 349.410 2.743 20 10 EFCDMO CC[C@@H](F)C[N@@H+](C)[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001194367930 1293599046 /nfs/dbraw/zinc/59/90/46/1293599046.db2.gz NCPZLAWATZVSQI-UKRRQHHQSA-N 1 1 349.410 2.743 20 10 EFCDMO C[NH+]1CCN(c2ccc(CN3CCc4ccc(O)cc4C3)cc2)CC1 ZINC000775655194 1293912786 /nfs/dbraw/zinc/91/27/86/1293912786.db2.gz AVQBWFKGBAOUNP-UHFFFAOYSA-N 1 1 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EFCDMO C[C@H]1C[N@H+](Cc2cc(Br)ccc2[O-])CCC[C@H]1C[NH3+] ZINC001205984260 1313386103 /nfs/dbraw/zinc/38/61/03/1313386103.db2.gz RRKWVXWXAVAGJN-RYUDHWBXSA-N 1 1 327.266 2.962 20 10 EFCDMO C[C@H]1C[N@@H+](Cc2cc(Br)ccc2[O-])CCC[C@H]1C[NH3+] ZINC001205984260 1313386106 /nfs/dbraw/zinc/38/61/06/1313386106.db2.gz RRKWVXWXAVAGJN-RYUDHWBXSA-N 1 1 327.266 2.962 20 10 EFCDMO COCCC[N@H+](Cc1cc(F)cc(Cl)c1[O-])[C@H]1CCC[NH2+]C1 ZINC001235811168 1313402671 /nfs/dbraw/zinc/40/26/71/1313402671.db2.gz SUAFYZRDHOMEFR-AWEZNQCLSA-N 1 1 330.831 2.775 20 10 EFCDMO COCCC[N@@H+](Cc1cc(F)cc(Cl)c1[O-])[C@H]1CCC[NH2+]C1 ZINC001235811168 1313402674 /nfs/dbraw/zinc/40/26/74/1313402674.db2.gz SUAFYZRDHOMEFR-AWEZNQCLSA-N 1 1 330.831 2.775 20 10 EFCDMO COc1ccc2c(c1)c1c(n2C)CCN(CC[C@@H]2CCC[NH2+]C2)C1 ZINC001235839436 1313407401 /nfs/dbraw/zinc/40/74/01/1313407401.db2.gz RPIDRXWRQIFHNV-HNNXBMFYSA-N 1 1 327.472 2.935 20 10 EFCDMO N[C@@H]1C[N@H+](Cc2cc(OCc3ccccc3)ccc2O)CC[C@H]1F ZINC001235911657 1313416319 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C[N@@H+](Cc1cc(Br)cc(F)c1[O-])[C@H]1CCCC[C@@H]1[NH3+] ZINC001236212958 1313456520 /nfs/dbraw/zinc/45/65/20/1313456520.db2.gz ANJBFNPYPJRPRK-STQMWFEESA-N 1 1 331.229 2.996 20 10 EFCDMO CCC[C@H]1CN(Cc2cc(Br)c(F)cc2O)CC[NH2+]1 ZINC001236179460 1313451931 /nfs/dbraw/zinc/45/19/31/1313451931.db2.gz XVYZJABZNBOPJR-NSHDSACASA-N 1 1 331.229 2.868 20 10 EFCDMO C[C@H]1C[N@@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC[C@H]1O ZINC000779199941 1298051453 /nfs/dbraw/zinc/05/14/53/1298051453.db2.gz NHJXGVSTABDHFM-KBXCAEBGSA-N 1 1 333.432 2.788 20 10 EFCDMO CC(C)[N@@H+](C)C[C@H]1CCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000961046094 1298066562 /nfs/dbraw/zinc/06/65/62/1298066562.db2.gz IAUNKVXAYSGWGF-OAHLLOKOSA-N 1 1 331.420 2.794 20 10 EFCDMO C[C@@]1(C[NH3+])CCCCN(Cc2ccc(N3CCOCC3)cc2F)C1 ZINC001206556885 1313475829 /nfs/dbraw/zinc/47/58/29/1313475829.db2.gz ZGZHRXLRJWJAEB-IBGZPJMESA-N 1 1 335.467 2.613 20 10 EFCDMO COc1cc(C[N@@H+]2CCCO[C@H](C)C2)c(O)cc1Br ZINC001236745865 1313520152 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CCOC[C@H]1C[N@H+](Cc2c(C)cc(OC)cc2O)Cc2ncn(C)c21 ZINC001236809328 1313533824 /nfs/dbraw/zinc/53/38/24/1313533824.db2.gz QUQGETYNDDUCKL-CQSZACIVSA-N 1 1 345.443 2.579 20 10 EFCDMO CCOC[C@H]1C[N@@H+](Cc2c(C)cc(OC)cc2O)Cc2ncn(C)c21 ZINC001236809328 1313533828 /nfs/dbraw/zinc/53/38/28/1313533828.db2.gz QUQGETYNDDUCKL-CQSZACIVSA-N 1 1 345.443 2.579 20 10 EFCDMO COc1cc(C)c(C[N@H+]2CCc3cc4c(cc3C2)OCO4)c(O)c1 ZINC001236809462 1313533884 /nfs/dbraw/zinc/53/38/84/1313533884.db2.gz WCXBLIQNPFHOCD-UHFFFAOYSA-N 1 1 327.380 2.996 20 10 EFCDMO CCOC[C@H]1C[N@@H+](Cc2c(C)cc(OC)cc2O)Cc2c1cnn2C ZINC001236810488 1313534034 /nfs/dbraw/zinc/53/40/34/1313534034.db2.gz YLDGMUAZJAQAJX-CQSZACIVSA-N 1 1 345.443 2.579 20 10 EFCDMO COc1cc(C)c(C[N@H+]2CCc3ncnc(C4CC4)c3CC2)c(O)c1 ZINC001236812080 1313534956 /nfs/dbraw/zinc/53/49/56/1313534956.db2.gz VSNBRAGTUQVZQX-UHFFFAOYSA-N 1 1 339.439 2.977 20 10 EFCDMO COc1cc(C)c(C[N@H+]2CC[C@@H]3[C@H](CCN3C(=O)C(C)C)C2)c(O)c1 ZINC001236811692 1313534969 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YSXROJFFNWBEMS-UHFFFAOYSA-N 1 1 343.446 2.915 20 10 EFCDMO CCOCc1noc2c1C[N@H+](Cc1ccc(OCC)cc1O)CC2 ZINC001237040635 1313573697 /nfs/dbraw/zinc/57/36/97/1313573697.db2.gz JTWSXJZXJDAAQQ-UHFFFAOYSA-N 1 1 332.400 2.874 20 10 EFCDMO CCOCc1noc2c1C[N@@H+](Cc1ccc(OCC)cc1O)CC2 ZINC001237040635 1313573701 /nfs/dbraw/zinc/57/37/01/1313573701.db2.gz JTWSXJZXJDAAQQ-UHFFFAOYSA-N 1 1 332.400 2.874 20 10 EFCDMO CCOc1ccc(C[N@@H+]2CCC[C@@]3(C[C@H](OCC)CO3)C2)c(O)c1 ZINC001237044283 1313574078 /nfs/dbraw/zinc/57/40/78/1313574078.db2.gz XXGCUEHWQCXRKF-PKOBYXMFSA-N 1 1 335.444 2.951 20 10 EFCDMO CCOc1ccc(C[N@H+]2CC[C@H]3OCCC[C@@]3(COC)C2)c(O)c1 ZINC001237041759 1313574092 /nfs/dbraw/zinc/57/40/92/1313574092.db2.gz UAYAZUWQZDLJQE-MOPGFXCFSA-N 1 1 335.444 2.808 20 10 EFCDMO CCOC[C@H]1C[N@H+](Cc2ccc(OCC)cc2O)Cc2ncn(C)c21 ZINC001237043293 1313574153 /nfs/dbraw/zinc/57/41/53/1313574153.db2.gz OMKQUGHASRXEJI-OAHLLOKOSA-N 1 1 345.443 2.660 20 10 EFCDMO CCOC[C@H]1C[N@@H+](Cc2ccc(OCC)cc2O)Cc2ncn(C)c21 ZINC001237043293 1313574155 /nfs/dbraw/zinc/57/41/55/1313574155.db2.gz OMKQUGHASRXEJI-OAHLLOKOSA-N 1 1 345.443 2.660 20 10 EFCDMO CCOc1ccc(C[N@H+]2CC[C@@H](Oc3cccc(OC)n3)C2)c(O)c1 ZINC001237046833 1313575446 /nfs/dbraw/zinc/57/54/46/1313575446.db2.gz GRSZQLLIAVLTHB-MRXNPFEDSA-N 1 1 344.411 2.848 20 10 EFCDMO CCOc1ccc(C[N@H+]2CCC[C@@H](C(F)(F)F)[C@H]2CO)c(O)c1 ZINC001237049848 1313575779 /nfs/dbraw/zinc/57/57/79/1313575779.db2.gz MHFUPPSGLDLOTP-ZIAGYGMSSA-N 1 1 333.350 2.926 20 10 EFCDMO CCOc1ccc(C[N@H+]2CC[C@H](Oc3nccc(C)n3)C2)c(O)c1 ZINC001237048471 1313575829 /nfs/dbraw/zinc/57/58/29/1313575829.db2.gz SFCVSIYCQVIPOU-INIZCTEOSA-N 1 1 329.400 2.543 20 10 EFCDMO CC[N@H+]1C[C@@H]2C[C@H]1CN2Cc1ccc(OCC(F)(F)F)cc1O ZINC001237063493 1313579919 /nfs/dbraw/zinc/57/99/19/1313579919.db2.gz RRNDTHPOXHCQRW-STQMWFEESA-N 1 1 330.350 2.612 20 10 EFCDMO CCN1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(OCC(F)(F)F)cc1O ZINC001237063493 1313579920 /nfs/dbraw/zinc/57/99/20/1313579920.db2.gz RRNDTHPOXHCQRW-STQMWFEESA-N 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/nfs/dbraw/zinc/02/49/43/1316024943.db2.gz CDEGQSOCGWCVFH-AWEZNQCLSA-N 1 1 347.846 2.639 20 10 EFCDMO CCOC(=O)[C@H]1CC[C@@H]([N@@H+](C)Cc2ccc(N3CCOCC3)cc2)C1 ZINC001257062228 1316027617 /nfs/dbraw/zinc/02/76/17/1316027617.db2.gz KWKTVEGIMKMVGJ-PKOBYXMFSA-N 1 1 346.471 2.687 20 10 EFCDMO CCOC(=O)[C@H]1CC[C@H]([N@@H+](C)Cc2ccc(N3CCOCC3)cc2)C1 ZINC001257062223 1316027889 /nfs/dbraw/zinc/02/78/89/1316027889.db2.gz KWKTVEGIMKMVGJ-HKUYNNGSSA-N 1 1 346.471 2.687 20 10 EFCDMO COC(=O)[C@H](Cc1ccc(O)c(O)c1)[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC001258684854 1316171984 /nfs/dbraw/zinc/17/19/84/1316171984.db2.gz ASLZEFNOVHHXKA-YUELXQCFSA-N 1 1 335.444 2.986 20 10 EFCDMO CC[N@H+]1CCC[C@@]2(CCN(C(=O)c3ccc(N=NC(N)=O)cc3)C2)C1 ZINC001040545373 1316317058 /nfs/dbraw/zinc/31/70/58/1316317058.db2.gz OJOPYRSOKKOSHX-GOSISDBHSA-N 1 1 343.431 2.797 20 10 EFCDMO COc1ccc(CNC2CC[NH+](C3CCCC3)CC2)c(O)c1OC ZINC001262363283 1316463993 /nfs/dbraw/zinc/46/39/93/1316463993.db2.gz NTJBRKQPXKJWQV-UHFFFAOYSA-N 1 1 334.460 2.906 20 10 EFCDMO CN(C)c1ccc([C@H](CNCc2cccnc2N(C)C)[NH+](C)C)cc1 ZINC001262379046 1316465242 /nfs/dbraw/zinc/46/52/42/1316465242.db2.gz QOXXKOFBQILXFE-IBGZPJMESA-N 1 1 341.503 2.606 20 10 EFCDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NCc2ccc(N)cc2)C1 ZINC001262597239 1316474603 /nfs/dbraw/zinc/47/46/03/1316474603.db2.gz JFXFWEAUFWDKQW-DNVCBOLYSA-N 1 1 338.455 2.904 20 10 EFCDMO Cc1c(C[N@H+]2CC[C@H]3CN(Cc4cn[nH]c4)C[C@H]32)c2ccccc2n1C ZINC001279541706 1317289788 /nfs/dbraw/zinc/28/97/88/1317289788.db2.gz RMCYXWQLSSUWJQ-LAUBAEHRSA-N 1 1 349.482 2.916 20 10 EFCDMO O=C(Nc1cccc2nccn21)[C@@]12C[C@@H]1C[N@H+](Cc1ccccc1O)C2 ZINC001279968942 1317426325 /nfs/dbraw/zinc/42/63/25/1317426325.db2.gz RJNZNSQBHZHESI-FOIQADDNSA-N 1 1 348.406 2.501 20 10 EFCDMO CCOc1ccc(N2CC[NH+]([C@@H](C)C(=O)NC(C)(C)C)CC2)cc1 ZINC001319397832 1328871560 /nfs/dbraw/zinc/87/15/60/1328871560.db2.gz SYDNNQVHDRCJOT-HNNXBMFYSA-N 1 1 333.476 2.511 20 10 EFCDMO CCOc1ccc(N2CC[NH+]([C@H](C)C(=O)NC(C)(C)C)CC2)cc1 ZINC001319397834 1328871943 /nfs/dbraw/zinc/87/19/43/1328871943.db2.gz SYDNNQVHDRCJOT-OAHLLOKOSA-N 1 1 333.476 2.511 20 10 EFCDMO COc1ccc(C)nc1NCc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001319872946 1329024266 /nfs/dbraw/zinc/02/42/66/1329024266.db2.gz BWOFHIOFZWZFCB-UHFFFAOYSA-N 1 1 344.434 2.902 20 10 EFCDMO CN1CCN(c2ccc(C[N@@H+](C)CCC(F)(F)F)cc2F)CC1 ZINC001319947340 1329041734 /nfs/dbraw/zinc/04/17/34/1329041734.db2.gz JNWITXSUNKCIAD-UHFFFAOYSA-N 1 1 333.373 2.962 20 10 EFCDMO O=[N+]([O-])c1cc(CNCC[NH+]2CCCC2)ccc1N1CCCCC1 ZINC000743767352 1323097925 /nfs/dbraw/zinc/09/79/25/1323097925.db2.gz GPHFPLRCUUATOW-UHFFFAOYSA-N 1 1 332.448 2.771 20 10 EFCDMO CCOc1ccc(N2CC[NH+]([C@@H]3CCCN(C(C)C)C3=O)CC2)cc1 ZINC001320364570 1329115466 /nfs/dbraw/zinc/11/54/66/1329115466.db2.gz BUMFVSIEXQGWHY-LJQANCHMSA-N 1 1 345.487 2.607 20 10 EFCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@@H](C)CC(=O)OC(C)(C)C)c1 ZINC001320419030 1329127861 /nfs/dbraw/zinc/12/78/61/1329127861.db2.gz AFTPEIMGHGIMGX-NWDGAFQWSA-N 1 1 337.416 2.950 20 10 EFCDMO CC(C)CO[C@@H]1CC[N@@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001320521956 1329151489 /nfs/dbraw/zinc/15/14/89/1329151489.db2.gz FPGQOOIXULWDLR-GOSISDBHSA-N 1 1 349.494 2.824 20 10 EFCDMO OC[C@@H](C[NH2+]Cc1c(O)ccc(Cl)c1F)CC1CCOCC1 ZINC001320935690 1329321755 /nfs/dbraw/zinc/32/17/55/1329321755.db2.gz YYYJEFFCJPMGPH-GFCCVEGCSA-N 1 1 331.815 2.700 20 10 EFCDMO c1cc(N2CCCC2)ccc1CN1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC001323285810 1329531066 /nfs/dbraw/zinc/53/10/66/1329531066.db2.gz LBJMXHWMMFMUQQ-OAQYLSRUSA-N 1 1 343.515 2.974 20 10 EFCDMO c1cc(N2CCCC2)ccc1C[N@H+]1CCCN(C[C@H]2CCCO2)CC1 ZINC001323285810 1329531068 /nfs/dbraw/zinc/53/10/68/1329531068.db2.gz LBJMXHWMMFMUQQ-OAQYLSRUSA-N 1 1 343.515 2.974 20 10 EFCDMO c1cc(N2CCCC2)ccc1C[N@@H+]1CCCN(C[C@H]2CCCO2)CC1 ZINC001323285810 1329531069 /nfs/dbraw/zinc/53/10/69/1329531069.db2.gz LBJMXHWMMFMUQQ-OAQYLSRUSA-N 1 1 343.515 2.974 20 10 EFCDMO Cc1nsc(N2CC[NH+](Cc3ccc(N4CCCC4)cc3)CC2)n1 ZINC001323322690 1329535005 /nfs/dbraw/zinc/53/50/05/1329535005.db2.gz MZFVODXIELLPGE-UHFFFAOYSA-N 1 1 343.500 2.769 20 10 EFCDMO C[N@H+](Cc1ccc(C(N)=O)cc1)Cc1cccc(Br)c1O ZINC001323738665 1329566908 /nfs/dbraw/zinc/56/69/08/1329566908.db2.gz BECXGHVUCOGAGC-UHFFFAOYSA-N 1 1 349.228 2.886 20 10 EFCDMO C[N@@H+](Cc1ccc(C(N)=O)cc1)Cc1cccc(Br)c1O ZINC001323738665 1329566911 /nfs/dbraw/zinc/56/69/11/1329566911.db2.gz BECXGHVUCOGAGC-UHFFFAOYSA-N 1 1 349.228 2.886 20 10 EFCDMO CCOc1ccc(C[N@H+]2CCC[C@H](Cc3nccn3C)C2)c(O)c1 ZINC001323888603 1329583010 /nfs/dbraw/zinc/58/30/10/1329583010.db2.gz BVLOSXSMNRYSAR-OAHLLOKOSA-N 1 1 329.444 2.979 20 10 EFCDMO O=C1CC[C@@H](C[N@@H+](Cc2ccco2)Cc2ccccc2O)CCN1 ZINC001324722837 1329653827 /nfs/dbraw/zinc/65/38/27/1329653827.db2.gz ZEBMCFQRIBPWQJ-OAHLLOKOSA-N 1 1 328.412 2.904 20 10 EFCDMO O=C([C@H]1CC[N@@H+](Cc2ccc(N3CCCC3)cc2)C1)N1CCCC1 ZINC001329839780 1330742024 /nfs/dbraw/zinc/74/20/24/1330742024.db2.gz OFHUMJKQZNACDF-SFHVURJKSA-N 1 1 327.472 2.731 20 10 EFCDMO COc1cc(C)cc(C[N@H+]2CCCN(c3nccs3)CC2)c1O ZINC001331991157 1330901711 /nfs/dbraw/zinc/90/17/11/1330901711.db2.gz TZTZYMRBBPZPMC-UHFFFAOYSA-N 1 1 333.457 2.878 20 10 EFCDMO COC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cc(C)cc(Br)c2O)C1 ZINC001333853889 1331227701 /nfs/dbraw/zinc/22/77/01/1331227701.db2.gz FQWKNZJGXIMPHZ-PWSUYJOCSA-N 1 1 342.233 2.894 20 10 EFCDMO COc1ccc(C[N@H+]2CCCC[C@H]2c2ccnn2C)c(O)c1OC ZINC001334268629 1331275058 /nfs/dbraw/zinc/27/50/58/1331275058.db2.gz ALOREUMRBWLUGS-HNNXBMFYSA-N 1 1 331.416 2.870 20 10 EFCDMO Nc1ccc(C[NH+]2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)cc1 ZINC001334775470 1331305123 /nfs/dbraw/zinc/30/51/23/1331305123.db2.gz YRMGLDBZIXDIFH-UHFFFAOYSA-N 1 1 343.858 2.809 20 10 EFCDMO CC[C@@H](F)C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC001335855976 1331410710 /nfs/dbraw/zinc/41/07/10/1331410710.db2.gz QBEBJVKTMPMVTE-UONOGXRCSA-N 1 1 328.815 2.874 20 10 EFCDMO COc1ccc(C[N@@H+](C)CCN(C)c2ccccc2)c(O)c1OC ZINC001336685083 1331492412 /nfs/dbraw/zinc/49/24/12/1331492412.db2.gz BMWOVFRCXQWDTK-UHFFFAOYSA-N 1 1 330.428 2.978 20 10 EFCDMO C[C@H]1C[C@@H](NC(=O)NCc2ccc(N)cc2)C[N@H+]1Cc1ccccc1 ZINC001337016630 1331527655 /nfs/dbraw/zinc/52/76/55/1331527655.db2.gz RVGVSPGZZVOEJO-HNAYVOBHSA-N 1 1 338.455 2.731 20 10 EFCDMO C[C@@H]1C[C@@H](NC(=O)NCc2ccc(N)cc2)C[N@H+]1Cc1ccccc1 ZINC001337016429 1331527968 /nfs/dbraw/zinc/52/79/68/1331527968.db2.gz RVGVSPGZZVOEJO-DNVCBOLYSA-N 1 1 338.455 2.731 20 10 EFCDMO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)NCc2ccc(N)cc2)CC1 ZINC001337019706 1331528257 /nfs/dbraw/zinc/52/82/57/1331528257.db2.gz UDSUAVRMEVXGRU-MRXNPFEDSA-N 1 1 338.455 2.857 20 10 EFCDMO C[NH+](C)[C@H](C(=O)NCc1ccc(O)c(O)c1)c1cccc(Cl)c1 ZINC001337395528 1331570266 /nfs/dbraw/zinc/57/02/66/1331570266.db2.gz LGMDNXSEWJPAFX-INIZCTEOSA-N 1 1 334.803 2.670 20 10 EFCDMO COc1ccc(O)c([C@H](C)NC(=O)C[N@H+](C)Cc2ccccc2)c1 ZINC001338562001 1331716165 /nfs/dbraw/zinc/71/61/65/1331716165.db2.gz PBXLWFMAQLODGG-AWEZNQCLSA-N 1 1 328.412 2.710 20 10 EFCDMO COc1ccc(O)c([C@H](C)NC(=O)C[N@@H+](C)Cc2ccccc2)c1 ZINC001338562001 1331716167 /nfs/dbraw/zinc/71/61/67/1331716167.db2.gz PBXLWFMAQLODGG-AWEZNQCLSA-N 1 1 328.412 2.710 20 10 EFCDMO CN(C)c1ccc(C[N@H+](C)CN2C(=O)C[C@H]2Cc2ccccc2)cc1 ZINC001345055053 1332505589 /nfs/dbraw/zinc/50/55/89/1332505589.db2.gz WRQPJFAKJXMJJS-HXUWFJFHSA-N 1 1 337.467 2.986 20 10 EFCDMO CN(C)c1ccc(C[N@@H+](C)CN2C(=O)C[C@H]2Cc2ccccc2)cc1 ZINC001345055053 1332505591 /nfs/dbraw/zinc/50/55/91/1332505591.db2.gz WRQPJFAKJXMJJS-HXUWFJFHSA-N 1 1 337.467 2.986 20 10 EFCDMO CC[N@@H+]1CCN(c2nnc(C3SC=CC3=O)n2CC2CC2)C[C@H]1C ZINC001346102455 1332599537 /nfs/dbraw/zinc/59/95/37/1332599537.db2.gz MXYUAVDMTCOSDH-GFCCVEGCSA-N 1 1 347.488 2.653 20 10 EFCDMO CC[N@H+]1CCN(c2nnc(C3SC=CC3=O)n2CC2CC2)C[C@H]1C ZINC001346102455 1332599539 /nfs/dbraw/zinc/59/95/39/1332599539.db2.gz MXYUAVDMTCOSDH-GFCCVEGCSA-N 1 1 347.488 2.653 20 10 EFCDMO C[C@@H]1C[C@H]2CC[C@@H](C(=O)NCc3ccc(N(C)C)c(F)c3)C[N@H+]2C1 ZINC001346375493 1332632103 /nfs/dbraw/zinc/63/21/03/1332632103.db2.gz RMKCHDWVLLQJDO-FVQBIDKESA-N 1 1 333.451 2.628 20 10 EFCDMO CC(C)[C@@]1(CO)CC[N@@H+](Cc2c(O)cccc2Br)C1 ZINC001348384181 1332831993 /nfs/dbraw/zinc/83/19/93/1332831993.db2.gz TZPQPMJSERMSDQ-HNNXBMFYSA-N 1 1 328.250 2.995 20 10 EFCDMO CON1CCC([N@@H+](C)Cc2ccc(Br)cc2O)CC1 ZINC001350619799 1333104035 /nfs/dbraw/zinc/10/40/35/1333104035.db2.gz KOMABEUHTDDCTL-UHFFFAOYSA-N 1 1 329.238 2.612 20 10 EFCDMO C[C@@H]1C[C@H]2CC[C@H](C(=O)N(C)Cc3ccc(N(C)C)cc3)C[N@H+]2C1 ZINC001350841941 1333140070 /nfs/dbraw/zinc/14/00/70/1333140070.db2.gz KHPWJFBCALISQN-HHXXYDBFSA-N 1 1 329.488 2.831 20 10 EFCDMO Cc1cc(N(C)C)ccc1C[NH2+]Cc1cn(Cc2ccccc2)nn1 ZINC001351990870 1333345018 /nfs/dbraw/zinc/34/50/18/1333345018.db2.gz RDAJLVMGYLOTRH-UHFFFAOYSA-N 1 1 335.455 2.991 20 10 EFCDMO Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000847318485 1333540942 /nfs/dbraw/zinc/54/09/42/1333540942.db2.gz KDUDGXBYEIXHEG-OALUTQOASA-N 1 1 344.503 2.877 20 10 EFCDMO C[C@H](CNC(=O)NCc1ccc(N)cc1)[N@H+]1CCc2ccccc2C1 ZINC001353299793 1334072151 /nfs/dbraw/zinc/07/21/51/1334072151.db2.gz IFDGBRRHLKZKBP-OAHLLOKOSA-N 1 1 338.455 2.515 20 10 EFCDMO C[NH+]1CCN(c2ccc(CNCc3noc4ccccc43)cc2)CC1 ZINC000848579434 1334805382 /nfs/dbraw/zinc/80/53/82/1334805382.db2.gz CDDIZUXAJXNHFI-UHFFFAOYSA-N 1 1 336.439 2.869 20 10 EFCDMO CCc1cccc(C[N@@H+](CCO)Cc2cc(OC)ccc2OC)c1O ZINC000848884990 1334962168 /nfs/dbraw/zinc/96/21/68/1334962168.db2.gz PNZRHVPBRCOVJJ-UHFFFAOYSA-N 1 1 345.439 2.966 20 10 EFCDMO CCc1cccc(CNc2c[nH+]ccc2N2CCN(C)CC2)c1O ZINC000848899767 1334970553 /nfs/dbraw/zinc/97/05/53/1334970553.db2.gz KACQDWSIECWASF-UHFFFAOYSA-N 1 1 326.444 2.714 20 10 EFCDMO CCc1cccc(C[NH2+]C2CCN([C@H]3CCCC[C@@H]3O)CC2)c1O ZINC000848899986 1334972186 /nfs/dbraw/zinc/97/21/86/1334972186.db2.gz WIACSLXFQUVSGG-OALUTQOASA-N 1 1 332.488 2.812 20 10 EFCDMO CCc1cccc(C[N@H+]2CC[C@@](C(=O)OC)(C(F)(F)F)C2)c1O ZINC000848911325 1334980232 /nfs/dbraw/zinc/98/02/32/1334980232.db2.gz TUVNFJIVQDVLIB-OAHLLOKOSA-N 1 1 331.334 2.882 20 10 EFCDMO CCc1cccc(C[N@@H+](CCN2CCOCC2)Cc2ccco2)c1O ZINC000848915565 1334983157 /nfs/dbraw/zinc/98/31/57/1334983157.db2.gz XSSIFIDHOSRILP-UHFFFAOYSA-N 1 1 344.455 2.882 20 10 EFCDMO C[C@@H](O)C[N@@H+](Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C1CC1 ZINC000848929144 1334994305 /nfs/dbraw/zinc/99/43/05/1334994305.db2.gz TYFDBVBXPCNRAO-CQSZACIVSA-N 1 1 333.432 2.930 20 10 EFCDMO C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)NCc1ccc(N)cc1 ZINC001357792037 1335333804 /nfs/dbraw/zinc/33/38/04/1335333804.db2.gz RVCIDKKJVLWSPE-UHFFFAOYSA-N 1 1 340.471 2.979 20 10 EFCDMO COc1ccc(O)c(CN[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)c1 ZINC000849350282 1335596410 /nfs/dbraw/zinc/59/64/10/1335596410.db2.gz WRTUEGYLTVCPCM-QZTJIDSGSA-N 1 1 330.403 2.775 20 10 EFCDMO C[N@H+](CC(=O)NCc1cc(Cl)cc(Cl)c1O)[C@H]1CCSC1 ZINC000807840354 713513247 /nfs/dbraw/zinc/51/32/47/713513247.db2.gz ZZVUSJMVEQNGNT-NSHDSACASA-N 1 1 349.283 2.753 20 10 EFCDMO C[N@@H+](CC(=O)NCc1cc(Cl)cc(Cl)c1O)[C@H]1CCSC1 ZINC000807840354 713513251 /nfs/dbraw/zinc/51/32/51/713513251.db2.gz ZZVUSJMVEQNGNT-NSHDSACASA-N 1 1 349.283 2.753 20 10 EFCDMO CC(C)[C@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1)N1CCCC1 ZINC000079121782 713865773 /nfs/dbraw/zinc/86/57/73/713865773.db2.gz AGZVMJOAYUZUQW-FQEVSTJZSA-N 1 1 331.504 2.733 20 10 EFCDMO COC(=O)[C@]1(C)CC[N@@H+](Cc2c(O)ccc3ccc(OC)cc32)C1 ZINC000177218433 717946977 /nfs/dbraw/zinc/94/69/77/717946977.db2.gz KCLCVAALLZZTTI-LJQANCHMSA-N 1 1 329.396 2.939 20 10 EFCDMO COC(=O)COc1ccccc1C[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC000891396749 714616753 /nfs/dbraw/zinc/61/67/53/714616753.db2.gz DRWKDQRSAWKUSN-UHFFFAOYSA-N 1 1 342.439 2.936 20 10 EFCDMO COc1ccc(OCC[N@@H+](C)Cc2ccc(OC)c(OC)c2O)cc1 ZINC000891504498 714789285 /nfs/dbraw/zinc/78/92/85/714789285.db2.gz VMWMJYFSRNNIBL-UHFFFAOYSA-N 1 1 347.411 2.929 20 10 EFCDMO COc1ccc(C[N@@H+]2CCO[C@H](c3ccccc3)C2)c(O)c1OC ZINC000891563829 714825153 /nfs/dbraw/zinc/82/51/53/714825153.db2.gz GPNAOJDKMRXSTM-KRWDZBQOSA-N 1 1 329.396 2.983 20 10 EFCDMO COc1ccc(C[N@H+]2CCO[C@H](c3ccccc3)C2)c(O)c1OC ZINC000891563829 714825155 /nfs/dbraw/zinc/82/51/55/714825155.db2.gz GPNAOJDKMRXSTM-KRWDZBQOSA-N 1 1 329.396 2.983 20 10 EFCDMO COc1cc(C[N@@H+](C)Cc2ccc(OC)c(OC)c2O)ccc1O ZINC000891568158 714828760 /nfs/dbraw/zinc/82/87/60/714828760.db2.gz NRDHUEBYWWPAER-UHFFFAOYSA-N 1 1 333.384 2.756 20 10 EFCDMO CCn1cc(C[N@H+]2CCCN(c3ccc(OC)cc3)CC2)c(C)n1 ZINC000891775171 715009919 /nfs/dbraw/zinc/00/99/19/715009919.db2.gz JDEMJPPNCMBCJQ-UHFFFAOYSA-N 1 1 328.460 2.932 20 10 EFCDMO CCOC(=O)[C@H]1CCC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000092456405 715111257 /nfs/dbraw/zinc/11/12/57/715111257.db2.gz SNVJOZHONWEYKC-NSHDSACASA-N 1 1 342.233 2.930 20 10 EFCDMO COc1cc(C(=O)N[C@H]2CC[N@@H+](CC=C(C)C)[C@@H](C)C2)cc(OC)n1 ZINC000947497412 715411651 /nfs/dbraw/zinc/41/16/51/715411651.db2.gz IMQRSWIPSZOQDG-HOCLYGCPSA-N 1 1 347.459 2.648 20 10 EFCDMO COc1cc(C(=O)N[C@H]2CC[N@@H+](CCC(C)C)[C@@H](C)C2)cc(OC)n1 ZINC000947497597 715422435 /nfs/dbraw/zinc/42/24/35/715422435.db2.gz JVCNBCKYDRIMMF-HOCLYGCPSA-N 1 1 349.475 2.728 20 10 EFCDMO COCCOC1CC[NH+](Cc2cccc(Br)c2O)CC1 ZINC000093339562 715859708 /nfs/dbraw/zinc/85/97/08/715859708.db2.gz AUQRVSXFQXQNSA-UHFFFAOYSA-N 1 1 344.249 2.782 20 10 EFCDMO CC(C)[N@@H+](C)[C@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001027698276 716558294 /nfs/dbraw/zinc/55/82/94/716558294.db2.gz HEYDHBWNDLLOCC-HNNXBMFYSA-N 1 1 331.420 2.794 20 10 EFCDMO CC(=O)NCC1CC[NH+](Cc2cccc(Br)c2O)CC1 ZINC000219487864 716621497 /nfs/dbraw/zinc/62/14/97/716621497.db2.gz MNMHOZRTXCAUGS-UHFFFAOYSA-N 1 1 341.249 2.503 20 10 EFCDMO COc1ccc(C[NH2+][C@@H]2COc3cc(F)cc(F)c32)c(O)c1OC ZINC000893535910 716817671 /nfs/dbraw/zinc/81/76/71/716817671.db2.gz QZEKVWVVXLSUOQ-GFCCVEGCSA-N 1 1 337.322 2.911 20 10 EFCDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001023769702 716989852 /nfs/dbraw/zinc/98/98/52/716989852.db2.gz CIJYTIKFIYDUJJ-CYBMUJFWSA-N 1 1 331.420 2.699 20 10 EFCDMO NC(=O)N=Nc1ccc(C(=O)NC[C@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC001023769849 716990614 /nfs/dbraw/zinc/99/06/14/716990614.db2.gz IJATZGYXNHDFRH-CQSZACIVSA-N 1 1 343.431 2.701 20 10 EFCDMO CCC[N@H+]1CCC[C@@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001023770085 716990798 /nfs/dbraw/zinc/99/07/98/716990798.db2.gz PAJRXMJBEYRCOX-ZDUSSCGKSA-N 1 1 331.420 2.701 20 10 EFCDMO NC(=O)N=Nc1ccc(C(=O)NC[C@H]2CCC[N@@H+](CCCF)C2)cc1 ZINC001023770396 716991628 /nfs/dbraw/zinc/99/16/28/716991628.db2.gz YIYROFMHVGZLOW-CYBMUJFWSA-N 1 1 349.410 2.650 20 10 EFCDMO NC(=O)N=Nc1ccc(C(=O)NC[C@@H]2CCC[N@@H+](CCCF)C2)cc1 ZINC001023770397 716991635 /nfs/dbraw/zinc/99/16/35/716991635.db2.gz YIYROFMHVGZLOW-ZDUSSCGKSA-N 1 1 349.410 2.650 20 10 EFCDMO CC(C)N1CCC[C@H]([N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)C1=O ZINC000179306358 717382113 /nfs/dbraw/zinc/38/21/13/717382113.db2.gz YOGBXMGGHZIIMD-ROUUACIJSA-N 1 1 346.471 2.773 20 10 EFCDMO NC(=O)N=Nc1ccc(C(=O)NC[C@@H]2CCCC[N@H+]2CCCF)cc1 ZINC001024818934 718179894 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EFCDMO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2nnnn2-c2ccccc2)c1 ZINC000182389365 720123595 /nfs/dbraw/zinc/12/35/95/720123595.db2.gz QALNLHQSKQKXRP-STQMWFEESA-N 1 1 339.399 2.788 20 10 EFCDMO O=C(NCc1ccco1)[C@@H]1CCCN1Cc1cc(F)cc(F)c1O ZINC000893923375 720163272 /nfs/dbraw/zinc/16/32/72/720163272.db2.gz GDXVBSMMFOYMGV-HNNXBMFYSA-N 1 1 336.338 2.544 20 10 EFCDMO COc1cc(C)cc(C[N@H+]2CCC[C@H]2C(=O)NCc2ccco2)c1O ZINC000893925845 720164347 /nfs/dbraw/zinc/16/43/47/720164347.db2.gz SBWBDRHSENPFLJ-INIZCTEOSA-N 1 1 344.411 2.583 20 10 EFCDMO Oc1cc2c(cc1C[N@H+]1CC[C@H](Oc3cccc(F)c3)C1)OCO2 ZINC000182778490 720182192 /nfs/dbraw/zinc/18/21/92/720182192.db2.gz ITBGJLLILIGJCQ-HNNXBMFYSA-N 1 1 331.343 2.913 20 10 EFCDMO COc1ccccc1C[N@@H+](CCO)Cc1cc(C)cc(OC)c1O ZINC000893959265 720184722 /nfs/dbraw/zinc/18/47/22/720184722.db2.gz IQUMQPQOLQCSRT-UHFFFAOYSA-N 1 1 331.412 2.712 20 10 EFCDMO CCOC(=O)N(C)C1CC[NH+](Cc2cc(F)cc(F)c2O)CC1 ZINC000893995550 720202080 /nfs/dbraw/zinc/20/20/80/720202080.db2.gz NLZDMNPDICFEDG-UHFFFAOYSA-N 1 1 328.359 2.723 20 10 EFCDMO CC[C@@H]1C[N@@H+](Cc2cc(C)cc(OC)c2O)[C@@H](CC)CN1C(C)=O ZINC000894053315 720252273 /nfs/dbraw/zinc/25/22/73/720252273.db2.gz JBHLGVFVNBSIRC-DLBZAZTESA-N 1 1 334.460 2.931 20 10 EFCDMO COc1ccc(C[N@H+]2CCC[C@@H](c3nccn3C)C2)c(O)c1OC ZINC000894061146 720258253 /nfs/dbraw/zinc/25/82/53/720258253.db2.gz DZDBVKUVCZEGJB-CQSZACIVSA-N 1 1 331.416 2.523 20 10 EFCDMO CCC[N@@H+](Cc1c(O)ccc2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000014264433 720306807 /nfs/dbraw/zinc/30/68/07/720306807.db2.gz YMTAPEKGYKEBBU-HNNXBMFYSA-N 1 1 333.453 2.945 20 10 EFCDMO NC(=O)N=Nc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2C/C=C/Cl)cc1 ZINC001028339811 720393717 /nfs/dbraw/zinc/39/37/17/720393717.db2.gz CXZGISKXWLHRMW-GCQUWVNZSA-N 1 1 349.822 2.796 20 10 EFCDMO NC(=O)N=Nc1ccc(C(=O)NC[C@H]2CCC[N@H+]2C/C=C/Cl)cc1 ZINC001028339811 720393722 /nfs/dbraw/zinc/39/37/22/720393722.db2.gz CXZGISKXWLHRMW-GCQUWVNZSA-N 1 1 349.822 2.796 20 10 EFCDMO CC1(C)[NH2+]CC[C@@H]1NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000925577378 720470944 /nfs/dbraw/zinc/47/09/44/720470944.db2.gz NOJFKXSPQIGANF-INIZCTEOSA-N 1 1 339.430 2.987 20 10 EFCDMO NC(=O)N=Nc1ccc(C(=O)NC[C@H]2CC[N@@H+](C/C=C\Cl)C2)cc1 ZINC001029013696 722638790 /nfs/dbraw/zinc/63/87/90/722638790.db2.gz GABFKEBOQJPFSN-XJGZDTAESA-N 1 1 349.822 2.653 20 10 EFCDMO CC[C@H](F)C[N@H+]1CC[C@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001029013970 722639037 /nfs/dbraw/zinc/63/90/37/722639037.db2.gz MSUBJIFGWIKGFW-OCCSQVGLSA-N 1 1 349.410 2.649 20 10 EFCDMO COc1ccc(C[N@H+](CCN(C)C)Cc2ccccc2)c(O)c1OC ZINC000894449619 722737902 /nfs/dbraw/zinc/73/79/02/722737902.db2.gz WAHTWFDPFKFIDO-UHFFFAOYSA-N 1 1 344.455 2.973 20 10 EFCDMO COc1ccc(C[N@@H+](CCN(C)C)Cc2ccccc2)c(O)c1OC ZINC000894449619 722737904 /nfs/dbraw/zinc/73/79/04/722737904.db2.gz WAHTWFDPFKFIDO-UHFFFAOYSA-N 1 1 344.455 2.973 20 10 EFCDMO COc1cc(C)cc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c1O ZINC000894748282 722833397 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Cc1n[nH]c([C@H]2CC[N@H+](Cc3ccc(Br)cc3O)C2)n1 ZINC000895013097 723050102 /nfs/dbraw/zinc/05/01/02/723050102.db2.gz XYUZMJVHSKSERW-NSHDSACASA-N 1 1 337.221 2.571 20 10 EFCDMO Cc1n[nH]c([C@H]2CC[N@@H+](Cc3ccc(Br)cc3O)C2)n1 ZINC000895013097 723050103 /nfs/dbraw/zinc/05/01/03/723050103.db2.gz XYUZMJVHSKSERW-NSHDSACASA-N 1 1 337.221 2.571 20 10 EFCDMO CC(C)(C)[N@H+]1CC[C@H]1C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000896270625 723229439 /nfs/dbraw/zinc/22/94/39/723229439.db2.gz SCLDTCXHYNYSBD-IRXDYDNUSA-N 1 1 346.471 2.773 20 10 EFCDMO CCOC(=O)[C@H]1CC[N@@H+](Cc2cc(Br)cc(F)c2[O-])C1 ZINC000896955352 723912519 /nfs/dbraw/zinc/91/25/19/723912519.db2.gz HWQATBCEXFOFMI-VIFPVBQESA-N 1 1 346.196 2.679 20 10 EFCDMO CCOC(=O)[C@H]1CCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC000896955352 723912521 /nfs/dbraw/zinc/91/25/21/723912521.db2.gz HWQATBCEXFOFMI-VIFPVBQESA-N 1 1 346.196 2.679 20 10 EFCDMO CCOC(=O)[C@H]1CC[N@@H+](Cc2ccc(Br)cc2O)C1 ZINC000896958022 723913877 /nfs/dbraw/zinc/91/38/77/723913877.db2.gz FXGDEPCEZFVYBG-NSHDSACASA-N 1 1 328.206 2.540 20 10 EFCDMO COc1ccc(CN2CCCC[C@@H]2[C@@H](C)C[NH+](C)C)c(O)c1OC ZINC000895508080 724163945 /nfs/dbraw/zinc/16/39/45/724163945.db2.gz DXDVRVLZLVFTIK-GOEBONIOSA-N 1 1 336.476 2.962 20 10 EFCDMO COc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H](C)CN(C)C)c(O)c1OC ZINC000895508080 724163948 /nfs/dbraw/zinc/16/39/48/724163948.db2.gz DXDVRVLZLVFTIK-GOEBONIOSA-N 1 1 336.476 2.962 20 10 EFCDMO COc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H](C)CN(C)C)c(O)c1OC ZINC000895508080 724163950 /nfs/dbraw/zinc/16/39/50/724163950.db2.gz DXDVRVLZLVFTIK-GOEBONIOSA-N 1 1 336.476 2.962 20 10 EFCDMO CCOc1cccc(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)n1 ZINC000121309630 724331169 /nfs/dbraw/zinc/33/11/69/724331169.db2.gz KRWHGHQHIUOGBA-UHFFFAOYSA-N 1 1 341.455 2.949 20 10 EFCDMO CCN(CC)c1ccc(C[N@H+]([C@H](C)CS(C)(=O)=O)C2CC2)cc1 ZINC000093393085 724885807 /nfs/dbraw/zinc/88/58/07/724885807.db2.gz XJTGKQCQSBVJHO-OAHLLOKOSA-N 1 1 338.517 2.930 20 10 EFCDMO CCN(CC)c1ccc(C[N@@H+]([C@H](C)CS(C)(=O)=O)C2CC2)cc1 ZINC000093393085 724885811 /nfs/dbraw/zinc/88/58/11/724885811.db2.gz XJTGKQCQSBVJHO-OAHLLOKOSA-N 1 1 338.517 2.930 20 10 EFCDMO COc1cccc(O)c1C[N@@H+](C)C[C@H]1CCN1C(=O)OC(C)(C)C ZINC000897406032 725012744 /nfs/dbraw/zinc/01/27/44/725012744.db2.gz RZLKMMVURWRWOF-CYBMUJFWSA-N 1 1 336.432 2.842 20 10 EFCDMO CCC[N@H+]1CC[C@@]2(NC(=O)c3ccc(N=NC(N)=O)cc3)CCC[C@@H]12 ZINC000992546538 725956334 /nfs/dbraw/zinc/95/63/34/725956334.db2.gz KBSFKIZFFGNNGE-QAPCUYQASA-N 1 1 343.431 2.986 20 10 EFCDMO CC(C)NC(=O)C[N@@H+](C)Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000054440889 726172372 /nfs/dbraw/zinc/17/23/72/726172372.db2.gz PHZZVYVUEMVYBY-UHFFFAOYSA-N 1 1 330.428 2.974 20 10 EFCDMO C[C@H]1CC[N@H+](CCNC(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000897456341 726216136 /nfs/dbraw/zinc/21/61/36/726216136.db2.gz CUZDCDAVSFHREJ-JTQLQIEISA-N 1 1 346.258 2.840 20 10 EFCDMO C[C@H]1CC[N@@H+](CCNC(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000897456341 726216138 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O=C(NCc1ccc2cccnc2c1O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC000911263597 727521644 /nfs/dbraw/zinc/52/16/44/727521644.db2.gz ZUSHNGAEJSQWBT-HOTGVXAUSA-N 1 1 325.412 2.574 20 10 EFCDMO CN(C)c1ccc(CN(C)C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000916574279 727697859 /nfs/dbraw/zinc/69/78/59/727697859.db2.gz YFSXPDGTRCDEFW-SJLPKXTDSA-N 1 1 330.476 2.521 20 10 EFCDMO COc1ccc(C)[nH+]c1NCc1ccc(N2CCOCC2)c(F)c1 ZINC000150988992 727761066 /nfs/dbraw/zinc/76/10/66/727761066.db2.gz IYLIKRPDOPBFTD-UHFFFAOYSA-N 1 1 331.391 2.986 20 10 EFCDMO C[C@H]1CCCN(C(=O)C[N@@H+](Cc2ccc(N(C)C)cc2)C2CC2)C1 ZINC000917073915 727763328 /nfs/dbraw/zinc/76/33/28/727763328.db2.gz HRKXDVCPVBLQMI-INIZCTEOSA-N 1 1 329.488 2.976 20 10 EFCDMO Cc1cc(C[N@@H+](C)[C@H]2CCS(=O)(=O)C2)c(O)c(C(C)(C)C)c1 ZINC000054866181 727885930 /nfs/dbraw/zinc/88/59/30/727885930.db2.gz YAXBKKSBNGUPJU-AWEZNQCLSA-N 1 1 325.474 2.617 20 10 EFCDMO Cc1cc(C[N@H+](C)[C@H]2CCS(=O)(=O)C2)c(O)c(C(C)(C)C)c1 ZINC000054866181 727885933 /nfs/dbraw/zinc/88/59/33/727885933.db2.gz YAXBKKSBNGUPJU-AWEZNQCLSA-N 1 1 325.474 2.617 20 10 EFCDMO CN1CCCc2cc(CNC(=O)[C@@H](c3ccccc3)[NH+](C)C)ccc21 ZINC000057558830 728091624 /nfs/dbraw/zinc/09/16/24/728091624.db2.gz NTQBDEXNJVJLQQ-HXUWFJFHSA-N 1 1 337.467 2.988 20 10 EFCDMO CN(C)c1ccc(C[NH+]2CCN(c3ccc(O)cc3)CC2)cc1F ZINC000157898046 728253099 /nfs/dbraw/zinc/25/30/99/728253099.db2.gz CSAKEJYJBMXTPE-UHFFFAOYSA-N 1 1 329.419 2.920 20 10 EFCDMO COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H](C)Cn2cc[nH+]c2C)c1 ZINC000171436582 728534254 /nfs/dbraw/zinc/53/42/54/728534254.db2.gz NVSIEKSMUJWBFX-OLZOCXBDSA-N 1 1 346.431 2.602 20 10 EFCDMO COC[C@H]1C[N@@H+](Cc2c3c(ccc2O)oc2c3CCCC2)CCO1 ZINC000172920700 728610380 /nfs/dbraw/zinc/61/03/80/728610380.db2.gz LFFOJIQWVQJICK-CYBMUJFWSA-N 1 1 331.412 2.864 20 10 EFCDMO CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CC[C@@H](CN3CCOCC3)C2)c1 ZINC000172935099 728611069 /nfs/dbraw/zinc/61/10/69/728611069.db2.gz WDRYMIQSFSEPJB-HNNXBMFYSA-N 1 1 348.487 2.549 20 10 EFCDMO OC[C@@H](Cc1ccccc1)[NH2+]Cc1cccc(Br)c1O ZINC000063219115 728615948 /nfs/dbraw/zinc/61/59/48/728615948.db2.gz BEWNTWRPVZOHNL-CQSZACIVSA-N 1 1 336.229 2.848 20 10 EFCDMO CCC[C@H]([NH2+]C1CCN(c2ccc(OC)cc2)CC1)C(=O)OCC ZINC000174040591 728645802 /nfs/dbraw/zinc/64/58/02/728645802.db2.gz RSOXAPFVUPNJOP-SFHVURJKSA-N 1 1 334.460 2.985 20 10 EFCDMO CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CCC[C@H](Cn3ccnn3)C2)c1 ZINC000154991728 729035458 /nfs/dbraw/zinc/03/54/58/729035458.db2.gz FSXRVKUFGBPEIL-AWEZNQCLSA-N 1 1 344.459 2.899 20 10 EFCDMO Cc1[nH+]ccn1CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000175530558 729508896 /nfs/dbraw/zinc/50/88/96/729508896.db2.gz CVKBDGHRUDBTCF-UHFFFAOYSA-N 1 1 345.358 2.606 20 10 EFCDMO C[N@@H+](CCN1CCN(c2ccccc2)CC1)Cc1ccccc1O ZINC000179578177 729593685 /nfs/dbraw/zinc/59/36/85/729593685.db2.gz GLOFBGURZFMGQA-UHFFFAOYSA-N 1 1 325.456 2.646 20 10 EFCDMO C[C@H](C[NH+]1CCCCC1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000237662188 729600244 /nfs/dbraw/zinc/60/02/44/729600244.db2.gz IYPDAXVNNHOJAP-MRXNPFEDSA-N 1 1 335.467 2.626 20 10 EFCDMO COc1ccc(O)c(C[N@@H+]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)c1 ZINC000179885051 729646974 /nfs/dbraw/zinc/64/69/74/729646974.db2.gz CXLQYDPBVTVJLE-CYBMUJFWSA-N 1 1 336.432 2.842 20 10 EFCDMO COc1ccc(O)c(C[N@H+]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)c1 ZINC000179885051 729646976 /nfs/dbraw/zinc/64/69/76/729646976.db2.gz CXLQYDPBVTVJLE-CYBMUJFWSA-N 1 1 336.432 2.842 20 10 EFCDMO COc1ccc(O)c(C[N@@H+]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)c1 ZINC000179885064 729647055 /nfs/dbraw/zinc/64/70/55/729647055.db2.gz CXLQYDPBVTVJLE-ZDUSSCGKSA-N 1 1 336.432 2.842 20 10 EFCDMO COc1ccc(O)c(C[N@H+]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)c1 ZINC000179885064 729647058 /nfs/dbraw/zinc/64/70/58/729647058.db2.gz CXLQYDPBVTVJLE-ZDUSSCGKSA-N 1 1 336.432 2.842 20 10 EFCDMO