smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(C[C@](C)(CO)[NH2+]Cc2ccc(C)cc2[O-])cc1OC ZINC000877831682 1126123412 /nfs/dbraw/zinc/12/34/12/1126123412.db2.gz WOYSRWQKXBNXMI-HXUWFJFHSA-N 0 3 345.439 2.801 20 10 EFCDHN COc1ccc(C[C@@](C)(CO)[NH2+]Cc2cc(F)ccc2[O-])cc1OC ZINC000877831605 1126123429 /nfs/dbraw/zinc/12/34/29/1126123429.db2.gz VKILLYWAHKTTRC-IBGZPJMESA-N 0 3 349.402 2.632 20 10 EFCDHN CC(C)(Cc1ccc(-c2nnn[n-]2)cc1)[NH2+]Cc1ccc2c(c1)CCO2 ZINC001573904376 1087907305 /nfs/dbraw/zinc/90/73/05/1087907305.db2.gz QGKUVXKDZLMPGA-UHFFFAOYSA-N 0 3 349.438 2.913 20 10 EFCDHN CC(C)(Cc1ccc(-c2nn[n-]n2)cc1)[NH2+]Cc1ccc2c(c1)CCO2 ZINC001573904376 1087907323 /nfs/dbraw/zinc/90/73/23/1087907323.db2.gz QGKUVXKDZLMPGA-UHFFFAOYSA-N 0 3 349.438 2.913 20 10 EFCDHN [NH3+]C1C[C@H]2CCC[C@@H](C1)N2Cc1c([O-])cccc1Br ZINC001580171314 1090798939 /nfs/dbraw/zinc/79/89/39/1090798939.db2.gz LNRITTBUUBLNDO-YOGCLGLASA-N 0 3 325.250 2.999 20 10 EFCDHN Cc1ncsc1/C=C\C(=O)N1C[C@H](N(C)C)Cc2ccccc21 ZINC000588518452 1092820952 /nfs/dbraw/zinc/82/09/52/1092820952.db2.gz ZHXRWCLKKMRIEN-WHLNPGIBSA-N 0 3 327.453 2.984 20 10 EFCDHN C[C@H]([NH2+][C@H]1Cc2ccc(-c3nnn[n-]3)cc2C1)c1ccc(N(C)C)cc1 ZINC001589956441 1093193569 /nfs/dbraw/zinc/19/35/69/1093193569.db2.gz OYIFTHORVTVLOL-UGSOOPFHSA-N 0 3 348.454 2.751 20 10 EFCDHN C[C@H]([NH2+][C@H]1Cc2ccc(-c3nn[n-]n3)cc2C1)c1ccc(N(C)C)cc1 ZINC001589956441 1093193572 /nfs/dbraw/zinc/19/35/72/1093193572.db2.gz OYIFTHORVTVLOL-UGSOOPFHSA-N 0 3 348.454 2.751 20 10 EFCDHN C[C@@H]([NH2+]Cc1ccc(F)cc1-c1nnn[n-]1)c1ccc(N(C)C)cc1 ZINC001589970918 1093202914 /nfs/dbraw/zinc/20/29/14/1093202914.db2.gz SXBLMEQESUQMFZ-GFCCVEGCSA-N 0 3 340.406 2.923 20 10 EFCDHN C[C@@H]([NH2+]Cc1ccc(F)cc1-c1nn[n-]n1)c1ccc(N(C)C)cc1 ZINC001589970918 1093202918 /nfs/dbraw/zinc/20/29/18/1093202918.db2.gz SXBLMEQESUQMFZ-GFCCVEGCSA-N 0 3 340.406 2.923 20 10 EFCDHN COc1cc(C)cc(C[NH2+][C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1O ZINC001591519926 1093747869 /nfs/dbraw/zinc/74/78/69/1093747869.db2.gz FOHUOSBYKMHLSC-GFCCVEGCSA-N 0 3 339.399 2.740 20 10 EFCDHN COc1cccc([C@H](C)[NH2+][C@H](C)c2cccc(-c3nn[n-]n3)c2)c1O ZINC001591633943 1093808678 /nfs/dbraw/zinc/80/86/78/1093808678.db2.gz URFGXAHNCVUDJG-NEPJUHHUSA-N 0 3 339.399 2.993 20 10 EFCDHN COc1cccc(C[NH2+]Cc2ccc(-c3nnn[n-]3)c(Cl)c2)c1O ZINC001591639180 1093810114 /nfs/dbraw/zinc/81/01/14/1093810114.db2.gz FNPGEWOXNKFOOT-UHFFFAOYSA-N 0 3 345.790 2.524 20 10 EFCDHN Cc1cc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)ccc1-c1nnn[n-]1 ZINC001591961875 1093935376 /nfs/dbraw/zinc/93/53/76/1093935376.db2.gz AUDBUQJZNVVKPK-UHFFFAOYSA-N 0 3 336.443 2.873 20 10 EFCDHN Cc1cc(C[N@H+](C)Cc2ccc(N(C)C)cc2)ccc1-c1nnn[n-]1 ZINC001591961875 1093935377 /nfs/dbraw/zinc/93/53/77/1093935377.db2.gz AUDBUQJZNVVKPK-UHFFFAOYSA-N 0 3 336.443 2.873 20 10 EFCDHN Cc1cc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)ccc1-c1nn[n-]n1 ZINC001591961875 1093935380 /nfs/dbraw/zinc/93/53/80/1093935380.db2.gz AUDBUQJZNVVKPK-UHFFFAOYSA-N 0 3 336.443 2.873 20 10 EFCDHN Cc1cc(C[N@H+](C)Cc2ccc(N(C)C)cc2)ccc1-c1nn[n-]n1 ZINC001591961875 1093935383 /nfs/dbraw/zinc/93/53/83/1093935383.db2.gz AUDBUQJZNVVKPK-UHFFFAOYSA-N 0 3 336.443 2.873 20 10 EFCDHN O=C(c1cccc(O)c1[O-])N1CCCC2(C[NH+](C3CCCC3)C2)C1 ZINC001269607744 1098289564 /nfs/dbraw/zinc/28/95/64/1098289564.db2.gz IJGYSZHKMUNRJN-UHFFFAOYSA-N 0 3 330.428 2.578 20 10 EFCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@H](OC(=O)N(C)C)C3)c2c1 ZINC000840107137 1100827480 /nfs/dbraw/zinc/82/74/80/1100827480.db2.gz WSPLFVAYPGZOOL-HNNXBMFYSA-N 0 3 344.411 2.827 20 10 EFCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@H](OC(=O)N(C)C)C3)c2c1 ZINC000840107137 1100827486 /nfs/dbraw/zinc/82/74/86/1100827486.db2.gz WSPLFVAYPGZOOL-HNNXBMFYSA-N 0 3 344.411 2.827 20 10 EFCDHN CC(C)C[N@H+](Cc1ccccn1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000905744440 1103580799 /nfs/dbraw/zinc/58/07/99/1103580799.db2.gz DZCUQTHLMCKPGY-SFHVURJKSA-N 0 3 328.412 2.871 20 10 EFCDHN CC(C)C[N@@H+](Cc1ccccn1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000905744440 1103580808 /nfs/dbraw/zinc/58/08/08/1103580808.db2.gz DZCUQTHLMCKPGY-SFHVURJKSA-N 0 3 328.412 2.871 20 10 EFCDHN NC(=O)N=Nc1ccc(C(=O)N2CCCCC[C@H](NCCF)C2)cc1 ZINC001088431799 1103590489 /nfs/dbraw/zinc/59/04/89/1103590489.db2.gz GBRLQDKVGZQLHU-HNNXBMFYSA-N 0 3 349.410 2.793 20 10 EFCDHN COc1ccc(N2CCN([C@@H]3Cc4ccc(OC)cc4C3)CC2)cc1 ZINC001168262738 1104642177 /nfs/dbraw/zinc/64/21/77/1104642177.db2.gz KFZIAPDKCQBZOS-LJQANCHMSA-N 0 3 338.451 2.993 20 10 EFCDHN COc1ccc(N2CCN(Cc3cccc4nn(C)cc43)CC2)cc1 ZINC001142445012 1104852468 /nfs/dbraw/zinc/85/24/68/1104852468.db2.gz JCAMCJJYMJIMHT-UHFFFAOYSA-N 0 3 336.439 2.904 20 10 EFCDHN CC[N@H+](CCC(=O)NC)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000897710306 1106059722 /nfs/dbraw/zinc/05/97/22/1106059722.db2.gz QVKZATDBGSKUQR-UHFFFAOYSA-N 0 3 342.439 2.929 20 10 EFCDHN CC[N@@H+](CCC(=O)NC)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000897710306 1106059724 /nfs/dbraw/zinc/05/97/24/1106059724.db2.gz QVKZATDBGSKUQR-UHFFFAOYSA-N 0 3 342.439 2.929 20 10 EFCDHN C[C@@H](F)CCN1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC000989767943 1106632834 /nfs/dbraw/zinc/63/28/34/1106632834.db2.gz QIXNDVHKOSMMQB-CYBMUJFWSA-N 0 3 349.410 2.745 20 10 EFCDHN CC(C)CN1C[C@@]2(CC1=O)CCCCN2Cc1cc(O)ccc1O ZINC001272385833 1108147549 /nfs/dbraw/zinc/14/75/49/1108147549.db2.gz FUCZOZPXRWETGN-IBGZPJMESA-N 0 3 332.444 2.711 20 10 EFCDHN CN(C)c1ccc([C@H](CNCc2ncc(Cl)n2C)N(C)C)cc1 ZINC000898449377 1108942639 /nfs/dbraw/zinc/94/26/39/1108942639.db2.gz CZHGVNDFNHNKGL-HNNXBMFYSA-N 0 3 335.883 2.532 20 10 EFCDHN CN(C)c1ccc([C@H](C[NH2+]Cc2ccc([O-])c(F)c2)N(C)C)cc1 ZINC000898450718 1108944089 /nfs/dbraw/zinc/94/40/89/1108944089.db2.gz TWIVAQVHDZOTCP-SFHVURJKSA-N 0 3 331.435 2.990 20 10 EFCDHN CN(C)c1ccc([C@@H](C[NH2+]Cc2ccc([O-])c(F)c2)N(C)C)cc1 ZINC000898450715 1108944225 /nfs/dbraw/zinc/94/42/25/1108944225.db2.gz TWIVAQVHDZOTCP-GOSISDBHSA-N 0 3 331.435 2.990 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=O)N[C@]23C[C@H]2CCC3)N(C)C)cc1 ZINC000899095128 1109198417 /nfs/dbraw/zinc/19/84/17/1109198417.db2.gz DMLWQESJDJYQHM-SZVBFZGTSA-N 0 3 330.476 2.597 20 10 EFCDHN C[C@@H]1C[C@@H](C)N(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC000899102766 1109203227 /nfs/dbraw/zinc/20/32/27/1109203227.db2.gz RMPKNBBORFVLPK-RKVPGOIHSA-N 0 3 332.492 2.795 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)N2CCC[C@H]3C[C@H]32)N(C)C)cc1 ZINC000899099373 1109207783 /nfs/dbraw/zinc/20/77/83/1109207783.db2.gz ZXLQMMMXQXJLRD-JQHSSLGASA-N 0 3 330.476 2.549 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)N(C)C2CCCC2)N(C)C)cc1 ZINC000899101047 1109208116 /nfs/dbraw/zinc/20/81/16/1109208116.db2.gz HHCNGYPBEMRRCK-SFHVURJKSA-N 0 3 332.492 2.939 20 10 EFCDHN CC(C)[C@H]1CCN1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899100933 1109208511 /nfs/dbraw/zinc/20/85/11/1109208511.db2.gz DDCZUXIBGFUDCN-MSOLQXFVSA-N 0 3 332.492 2.795 20 10 EFCDHN CC[C@H](C)N1CC[C@]2(CC[N@H+](Cc3ccc(OC)cc3[O-])C2)C1=O ZINC001272625288 1111764170 /nfs/dbraw/zinc/76/41/70/1111764170.db2.gz JWBROZOTCAYNKF-LIRRHRJNSA-N 0 3 332.444 2.624 20 10 EFCDHN CC[C@H](C)N1CC[C@]2(CC[N@@H+](Cc3ccc(OC)cc3[O-])C2)C1=O ZINC001272625288 1111764173 /nfs/dbraw/zinc/76/41/73/1111764173.db2.gz JWBROZOTCAYNKF-LIRRHRJNSA-N 0 3 332.444 2.624 20 10 EFCDHN COc1ccc(C[NH+]2CCC3(CCN(CC(C)C)C3=O)CC2)c([O-])c1 ZINC001272625813 1111766558 /nfs/dbraw/zinc/76/65/58/1111766558.db2.gz OMDZNYGDVDQFBX-UHFFFAOYSA-N 0 3 346.471 2.871 20 10 EFCDHN COc1cc([O-])c(CN2CC[NH2+][C@H](C(C)C)C2)cc1Br ZINC001235474897 1111782147 /nfs/dbraw/zinc/78/21/47/1111782147.db2.gz IQVGUYUIGMIICE-ZDUSSCGKSA-N 0 3 343.265 2.593 20 10 EFCDHN CCCCN1CC[C@]2(CCCN2Cc2cc(OC)ccc2O)C1=O ZINC001272637378 1111787270 /nfs/dbraw/zinc/78/72/70/1111787270.db2.gz LOQUYRYKPPHMKM-LJQANCHMSA-N 0 3 332.444 2.768 20 10 EFCDHN COc1ccc(O)c(CN2CCC[C@]23CCN(CC(C)C)C3=O)c1 ZINC001272639288 1111798932 /nfs/dbraw/zinc/79/89/32/1111798932.db2.gz YEDKNKWBNXOKGF-LJQANCHMSA-N 0 3 332.444 2.624 20 10 EFCDHN Cc1ccc(C)n1-c1ccc(-c2noc([C@H]3CNCCN3C)n2)cc1 ZINC001212224257 1112014783 /nfs/dbraw/zinc/01/47/83/1112014783.db2.gz FGUIMMPAHPBZNW-QGZVFWFLSA-N 0 3 337.427 2.720 20 10 EFCDHN COc1cc(CN2CC[C@@]3(CCOC3)C2)c(O)cc1Br ZINC001236749191 1117885175 /nfs/dbraw/zinc/88/51/75/1117885175.db2.gz ZWUWRDZSSXKYNY-OAHLLOKOSA-N 0 3 342.233 2.776 20 10 EFCDHN COc1cc(C[N@@H+]2CC[C@@]3(CCOC3)C2)c([O-])cc1Br ZINC001236749191 1117885178 /nfs/dbraw/zinc/88/51/78/1117885178.db2.gz ZWUWRDZSSXKYNY-OAHLLOKOSA-N 0 3 342.233 2.776 20 10 EFCDHN COc1cc(C[N@H+]2CC[C@@]3(CCOC3)C2)c([O-])cc1Br ZINC001236749191 1117885182 /nfs/dbraw/zinc/88/51/82/1117885182.db2.gz ZWUWRDZSSXKYNY-OAHLLOKOSA-N 0 3 342.233 2.776 20 10 EFCDHN COc1ccc(O)c([C@H](C)NCC(=O)NCc2ccc(F)cc2)c1 ZINC000182451413 1118608900 /nfs/dbraw/zinc/60/89/00/1118608900.db2.gz DMCNSKRWKCESOY-LBPRGKRZSA-N 0 3 332.375 2.507 20 10 EFCDHN CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000154158533 530036236 /nfs/dbraw/zinc/03/62/36/530036236.db2.gz RIIZTITVZZQTHJ-CHWSQXEVSA-N 0 3 334.441 2.712 20 10 EFCDHN CCOc1ccc([O-])c(C[NH+]2CCC(CCN3CCOCC3)CC2)c1 ZINC000359872785 201113894 /nfs/dbraw/zinc/11/38/94/201113894.db2.gz KXLVFNSPTHAVEL-UHFFFAOYSA-N 0 3 348.487 2.725 20 10 EFCDHN CN(C)Cc1cccc(NC(=O)NCCc2ccc(O)c(O)c2)c1 ZINC000115633650 238889675 /nfs/dbraw/zinc/88/96/75/238889675.db2.gz SABDFXYZIXOZJB-UHFFFAOYSA-N 0 3 329.400 2.524 20 10 EFCDHN C[C@H](NCCC(=O)OC(C)(C)C)c1ccc(N2CCOCC2)cc1 ZINC000163546311 239107632 /nfs/dbraw/zinc/10/76/32/239107632.db2.gz BEYXKFXRMRUOJS-HNNXBMFYSA-N 0 3 334.460 2.906 20 10 EFCDHN Cn1cncc1CN[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000174622480 239235676 /nfs/dbraw/zinc/23/56/76/239235676.db2.gz NLJZYQWLNCBFAJ-ZDUSSCGKSA-N 0 3 336.386 2.780 20 10 EFCDHN Cc1ccc(C(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c([O-])c1O ZINC000177677667 239389691 /nfs/dbraw/zinc/38/96/91/239389691.db2.gz OVAYJKKNCAKXTL-INIZCTEOSA-N 0 3 346.471 2.990 20 10 EFCDHN Cc1ccc(CN2CC[C@@H](NCc3ccc(N(C)C)cc3)C2=O)cc1 ZINC000191799216 240008493 /nfs/dbraw/zinc/00/84/93/240008493.db2.gz XCTZOYJCKNZGLO-HXUWFJFHSA-N 0 3 337.467 2.952 20 10 EFCDHN CC[C@@H](C)[C@H](N)C(=O)N(CC)Cc1cc(Br)ccc1O ZINC000236887096 240236258 /nfs/dbraw/zinc/23/62/58/240236258.db2.gz LCWVAUDLTXBLIT-YGRLFVJLSA-N 0 3 343.265 2.877 20 10 EFCDHN Cc1cc(N2CC[C@@H](N[C@@H](C)c3ccc(C)c(C)c3O)C2=O)n(C)n1 ZINC000273349486 240693109 /nfs/dbraw/zinc/69/31/09/240693109.db2.gz BLJIEXIHULRGBJ-GOEBONIOSA-N 0 3 342.443 2.507 20 10 EFCDHN C[C@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000288448698 241012475 /nfs/dbraw/zinc/01/24/75/241012475.db2.gz CWSDWPDYBPRINQ-SUMWQHHRSA-N 0 3 331.437 2.582 20 10 EFCDHN COc1cccc(CNCc2ccncc2OC[C@H]2CCOC2)c1O ZINC000288443563 241012491 /nfs/dbraw/zinc/01/24/91/241012491.db2.gz MDMMLDWZKBMRGG-AWEZNQCLSA-N 0 3 344.411 2.501 20 10 EFCDHN COc1ccc(C[C@@](C)(O)C[NH2+]Cc2cc(F)ccc2[O-])cc1OC ZINC000290905536 241020617 /nfs/dbraw/zinc/02/06/17/241020617.db2.gz MNMXGPOHBYVMLF-LJQANCHMSA-N 0 3 349.402 2.632 20 10 EFCDHN COCCOC1(C[NH2+][C@@H](C)c2ccc(C)c(C)c2[O-])CCOCC1 ZINC000296361789 241082375 /nfs/dbraw/zinc/08/23/75/241082375.db2.gz IUUZBPCAZPLUPV-INIZCTEOSA-N 0 3 337.460 2.872 20 10 EFCDHN O=C(NCCC[NH2+][C@H]1CCc2cccc([O-])c21)c1ccc(F)cc1 ZINC000296923388 241103078 /nfs/dbraw/zinc/10/30/78/241103078.db2.gz PTTKGGSCGJULMQ-INIZCTEOSA-N 0 3 328.387 2.928 20 10 EFCDHN O=C1COc2ccccc2N1CCC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000296979702 241104842 /nfs/dbraw/zinc/10/48/42/241104842.db2.gz RWLDXPUVSNWJCN-OAHLLOKOSA-N 0 3 338.407 2.785 20 10 EFCDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+]C[C@@]1(O)CCOC1 ZINC000294695867 241049972 /nfs/dbraw/zinc/04/99/72/241049972.db2.gz ITSNWSHKMHDNAW-QUCCMNQESA-N 0 3 327.424 2.807 20 10 EFCDHN COCCO[C@@H]1CCN(Cc2ccc(N3CCC(OC)CC3)cc2)C1 ZINC000295653163 241060695 /nfs/dbraw/zinc/06/06/95/241060695.db2.gz DGBVIQFBCCXZEJ-HXUWFJFHSA-N 0 3 348.487 2.539 20 10 EFCDHN O=S(=O)(CCC[NH2+][C@@H]1CCc2cccc([O-])c21)c1ccccc1 ZINC000295839013 241063920 /nfs/dbraw/zinc/06/39/20/241063920.db2.gz FLBGSIMNRSRMQA-MRXNPFEDSA-N 0 3 331.437 2.833 20 10 EFCDHN COc1ccc([O-])c(CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)c1 ZINC000364262904 242294239 /nfs/dbraw/zinc/29/42/39/242294239.db2.gz NFZUENAMYLGPJQ-OAHLLOKOSA-N 0 3 327.384 2.539 20 10 EFCDHN O[C@H]1CCC[C@@H]1N1CCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000367460677 242383220 /nfs/dbraw/zinc/38/32/20/242383220.db2.gz GYXQNVWRQLGCKB-SFTDATJTSA-N 0 3 343.515 2.708 20 10 EFCDHN C[C@H](N[C@@H]1CCO[C@H]1C1CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000372975862 242460749 /nfs/dbraw/zinc/46/07/49/242460749.db2.gz NIVVGDFQUZVWEW-IRWQIABSSA-N 0 3 334.435 2.880 20 10 EFCDHN C[C@@H]([NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(F)cc1[O-] ZINC000186126909 296115129 /nfs/dbraw/zinc/11/51/29/296115129.db2.gz KERDXXXBYMGVTB-XWIAVFTESA-N 0 3 336.451 2.950 20 10 EFCDHN CN(Cc1ccc(N2CCOCC2)cc1)C[C@@H](O)c1cccc(F)c1 ZINC000069518828 203013022 /nfs/dbraw/zinc/01/30/22/203013022.db2.gz MOQYVRCDXCRTDK-HXUWFJFHSA-N 0 3 344.430 2.828 20 10 EFCDHN C[C@@H]([NH2+][C@@H](Cc1ccccc1)CN1CCOCC1)c1ccccc1[O-] ZINC000183508437 287054601 /nfs/dbraw/zinc/05/46/01/287054601.db2.gz RDQHBKJVJZNTIY-MJGOQNOKSA-N 0 3 340.467 2.986 20 10 EFCDHN CC(C)(C)OC(=O)N1CCO[C@H](C[NH2+][C@@H]2CCc3cccc([O-])c32)C1 ZINC000295874250 275520129 /nfs/dbraw/zinc/52/01/29/275520129.db2.gz GMUYNKMOGPIAHV-HUUCEWRRSA-N 0 3 348.443 2.605 20 10 EFCDHN C[C@H](CNC(=O)NCc1ccc(N2CCCC2)cc1)N(C)C1CC1 ZINC000171632898 278202638 /nfs/dbraw/zinc/20/26/38/278202638.db2.gz TZSRKCYINPKYSY-OAHLLOKOSA-N 0 3 330.476 2.569 20 10 EFCDHN Cc1ccc([C@H](C[NH2+][C@@H]2CCc3cccc([O-])c32)N2CCOCC2)o1 ZINC000295914913 280987936 /nfs/dbraw/zinc/98/79/36/280987936.db2.gz JKSCPJCYXVLLLZ-SJORKVTESA-N 0 3 342.439 2.944 20 10 EFCDHN COc1cccc(C[NH2+]CCCC(=O)N2Cc3ccccc3C2)c1[O-] ZINC000111405947 473210488 /nfs/dbraw/zinc/21/04/88/473210488.db2.gz DHQRPPJZADXURN-UHFFFAOYSA-N 0 3 340.423 2.813 20 10 EFCDHN CCOc1ccc([O-])c(C[NH2+]CC2(N3CCCCC3)CCOCC2)c1 ZINC000111403390 473211051 /nfs/dbraw/zinc/21/10/51/473211051.db2.gz YTBFOQRUXSLFHA-UHFFFAOYSA-N 0 3 348.487 2.916 20 10 EFCDHN Cc1ncc(/C=C/C(=O)N2C[C@H](N(C)C)Cc3ccccc32)s1 ZINC000112246859 473250513 /nfs/dbraw/zinc/25/05/13/473250513.db2.gz XKRYOHXVZMPILO-XVJNWHFHSA-N 0 3 327.453 2.984 20 10 EFCDHN COc1ccc(OC)c([C@@H](O)C[NH2+][C@H](C)c2cc(F)ccc2[O-])c1 ZINC000184947305 473281007 /nfs/dbraw/zinc/28/10/07/473281007.db2.gz CVPXRAHHKZZQOJ-DIFFPNOSSA-N 0 3 335.375 2.933 20 10 EFCDHN COc1ccc([O-])c([C@H](C)[NH2+]Cc2ccc(Cn3cncn3)cc2)c1 ZINC000184953960 473283322 /nfs/dbraw/zinc/28/33/22/473283322.db2.gz OTRIZRULNZLFAI-AWEZNQCLSA-N 0 3 338.411 2.891 20 10 EFCDHN COc1ccc([O-])c([C@H](C)[NH2+]CCNC(=O)c2ccc(C)c(F)c2)c1 ZINC000184981779 473290845 /nfs/dbraw/zinc/29/08/45/473290845.db2.gz GCUCDKJIMYIMAW-ZDUSSCGKSA-N 0 3 346.402 2.929 20 10 EFCDHN C[C@H]([NH2+]Cc1cccnc1N1CCOCC1)c1cc(F)ccc1[O-] ZINC000184986623 473293619 /nfs/dbraw/zinc/29/36/19/473293619.db2.gz SEOVDFYHTFURLM-ZDUSSCGKSA-N 0 3 331.391 2.614 20 10 EFCDHN Cc1ccc([C@@H](C)[NH2+]Cc2ccnc(N3CCN(C)CC3)c2)c([O-])c1 ZINC000185042339 473309269 /nfs/dbraw/zinc/30/92/69/473309269.db2.gz OGGVVKXRGBQWQH-MRXNPFEDSA-N 0 3 340.471 2.698 20 10 EFCDHN C[C@@H]([NH2+]Cc1ccnc(N2CCN(C)CC2)c1)c1cc(F)ccc1[O-] ZINC000185042467 473309846 /nfs/dbraw/zinc/30/98/46/473309846.db2.gz GRMIIIRGLCSDRI-CQSZACIVSA-N 0 3 344.434 2.529 20 10 EFCDHN C[C@](O)(C[NH2+]Cc1cc2c(cc1[O-])OCO2)c1cccc(Cl)c1 ZINC000185111423 473331558 /nfs/dbraw/zinc/33/15/58/473331558.db2.gz MQXWJAFTTNDIOH-KRWDZBQOSA-N 0 3 335.787 2.772 20 10 EFCDHN Cc1ccc([C@H](C)[NH2+]C[C@@]2(N3CCOCC3)CCSC2)c([O-])c1 ZINC000185141121 473340432 /nfs/dbraw/zinc/34/04/32/473340432.db2.gz DCYREARORHVXGU-YJBOKZPZSA-N 0 3 336.501 2.559 20 10 EFCDHN Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H](C)c2ccc(C)cc2[O-])cc1 ZINC000185195302 473357763 /nfs/dbraw/zinc/35/77/63/473357763.db2.gz RLIOJHYMZMRGBV-HNNXBMFYSA-N 0 3 348.468 2.638 20 10 EFCDHN COc1ccc(O)c([C@H](C)NCc2cccc(CS(C)(=O)=O)c2)c1 ZINC000185263236 473380803 /nfs/dbraw/zinc/38/08/03/473380803.db2.gz SDPXGZTXBAUXBG-ZDUSSCGKSA-N 0 3 349.452 2.796 20 10 EFCDHN COc1ccc([O-])c([C@H](C)[NH2+]Cc2cccc(CS(C)(=O)=O)c2)c1 ZINC000185263236 473380812 /nfs/dbraw/zinc/38/08/12/473380812.db2.gz SDPXGZTXBAUXBG-ZDUSSCGKSA-N 0 3 349.452 2.796 20 10 EFCDHN Cc1n[nH]cc1C[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000113359193 473387280 /nfs/dbraw/zinc/38/72/80/473387280.db2.gz LZBULGRLASZMDU-INIZCTEOSA-N 0 3 334.851 2.831 20 10 EFCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCCNC(=O)c2cccc(O)c2)c1 ZINC000185303697 473389509 /nfs/dbraw/zinc/38/95/09/473389509.db2.gz QUIIRDKHBGXVEZ-CYBMUJFWSA-N 0 3 344.411 2.577 20 10 EFCDHN C[C@@H]([NH2+]CCCNC(=O)c1cccc(O)c1)c1cc(F)ccc1[O-] ZINC000185304030 473390133 /nfs/dbraw/zinc/39/01/33/473390133.db2.gz MOKBNUMAHNJDBI-GFCCVEGCSA-N 0 3 332.375 2.708 20 10 EFCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]CCCN1CCOCC1 ZINC000011963921 471762936 /nfs/dbraw/zinc/76/29/36/471762936.db2.gz MIIHFEYECOPRGQ-UHFFFAOYSA-N 0 3 326.440 2.871 20 10 EFCDHN CN(C)[C@@H]1Cc2ccccc2N(C(=O)/C=C/c2cncc(F)c2)C1 ZINC000067207535 472005878 /nfs/dbraw/zinc/00/58/78/472005878.db2.gz WPFOFHYLJBFYHT-IWAYRVGRSA-N 0 3 325.387 2.753 20 10 EFCDHN COc1cc(CNCc2ccc3c(c2)CCO3)cc(OC)c1OC ZINC000043288647 472219268 /nfs/dbraw/zinc/21/92/68/472219268.db2.gz RMRSYBQMIZKKGX-UHFFFAOYSA-N 0 3 329.396 2.937 20 10 EFCDHN CCOC(=O)CCCCN1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000084866957 472224185 /nfs/dbraw/zinc/22/41/85/472224185.db2.gz LVKLVSSCFLRRHK-UHFFFAOYSA-N 0 3 338.423 2.690 20 10 EFCDHN CN(C)c1ccc(CNC(=O)N2CCC[C@H]2CN2CCCCC2)cc1 ZINC000075957985 472227109 /nfs/dbraw/zinc/22/71/09/472227109.db2.gz AIQLBVSOBJZCMK-IBGZPJMESA-N 0 3 344.503 2.913 20 10 EFCDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)NC1CCN(C2CC2)CC1 ZINC000045410510 472405941 /nfs/dbraw/zinc/40/59/41/472405941.db2.gz MYQPQFRHRZZJBE-UHFFFAOYSA-N 0 3 344.503 2.911 20 10 EFCDHN Cc1cc(C(=O)NC[C@@H](C)N(C)C2CC2)c(C)n1-c1ccccn1 ZINC000057710931 472466571 /nfs/dbraw/zinc/46/65/71/472466571.db2.gz FPWSULDCXAFRML-CQSZACIVSA-N 0 3 326.444 2.702 20 10 EFCDHN CC[C@H](NCc1ccccc1S(=O)(=O)N(C)C)c1ccccc1O ZINC000155050786 472503217 /nfs/dbraw/zinc/50/32/17/472503217.db2.gz QGKKNCNVAQACLT-INIZCTEOSA-N 0 3 348.468 2.883 20 10 EFCDHN CC[C@@H]([NH2+]CCCNC(=O)c1cccc(O)c1)c1ccccc1[O-] ZINC000155558939 472568755 /nfs/dbraw/zinc/56/87/55/472568755.db2.gz CQBXOBRHEYKYEC-QGZVFWFLSA-N 0 3 328.412 2.959 20 10 EFCDHN COc1ccc(N2CCN(CCCNCc3ccco3)CC2)cc1 ZINC000102560306 472582384 /nfs/dbraw/zinc/58/23/84/472582384.db2.gz JHTIGKLFTGSWJA-UHFFFAOYSA-N 0 3 329.444 2.590 20 10 EFCDHN CN(C)c1ccc(CN2CCC[C@@H](c3nnc4n3CCC4)C2)cc1F ZINC000119836626 472588818 /nfs/dbraw/zinc/58/88/18/472588818.db2.gz ANOBHWWUYFVNHB-OAHLLOKOSA-N 0 3 343.450 2.809 20 10 EFCDHN COc1ccc(CNC(=O)CN[C@@H](C)c2ccc(C)c(C)c2O)cc1 ZINC000120027570 472618831 /nfs/dbraw/zinc/61/88/31/472618831.db2.gz AYUUBTGQOWIJTD-HNNXBMFYSA-N 0 3 342.439 2.985 20 10 EFCDHN C[C@@H](NCCNC(=O)c1ccccc1F)c1ccc(N(C)C)cc1 ZINC000130904360 472634333 /nfs/dbraw/zinc/63/43/33/472634333.db2.gz JJXKAIFBQKXKGP-CQSZACIVSA-N 0 3 329.419 2.972 20 10 EFCDHN CCN(Cc1ccccc1)c1ccc(CNCCOCCO)cc1 ZINC000060816924 472678124 /nfs/dbraw/zinc/67/81/24/472678124.db2.gz YNUGSPPZEFUARY-UHFFFAOYSA-N 0 3 328.456 2.812 20 10 EFCDHN CCN1CCCN(C(=O)c2cc(C)n(-c3ccccn3)c2C)CC1 ZINC000105323421 472745325 /nfs/dbraw/zinc/74/53/25/472745325.db2.gz OPFYIDARUHZMTP-UHFFFAOYSA-N 0 3 326.444 2.657 20 10 EFCDHN CC[C@H](C(=O)N(CC)Cc1cc(Br)ccc1O)N(C)C ZINC000120990187 472779397 /nfs/dbraw/zinc/77/93/97/472779397.db2.gz PZLDFSOUHKKKBF-CYBMUJFWSA-N 0 3 343.265 2.843 20 10 EFCDHN CCOc1ccnc(N2CCC[N@H+](Cc3cc(C)ccc3[O-])CC2)n1 ZINC000091959548 472832847 /nfs/dbraw/zinc/83/28/47/472832847.db2.gz VWOAXGXGSRVRNK-UHFFFAOYSA-N 0 3 342.443 2.602 20 10 EFCDHN CCOc1ccnc(N2CCC[N@@H+](Cc3cc(C)ccc3[O-])CC2)n1 ZINC000091959548 472832853 /nfs/dbraw/zinc/83/28/53/472832853.db2.gz VWOAXGXGSRVRNK-UHFFFAOYSA-N 0 3 342.443 2.602 20 10 EFCDHN Cc1cc([O-])c(C[N@H+]2CCC[C@@H]([C@H](O)c3nccn3C)C2)cc1C ZINC000092010978 472840959 /nfs/dbraw/zinc/84/09/59/472840959.db2.gz JCXBIUJLSBRNNU-QAPCUYQASA-N 0 3 329.444 2.688 20 10 EFCDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H]([C@H](O)c3nccn3C)C2)cc1C ZINC000092010978 472840967 /nfs/dbraw/zinc/84/09/67/472840967.db2.gz JCXBIUJLSBRNNU-QAPCUYQASA-N 0 3 329.444 2.688 20 10 EFCDHN CCCOc1ccc(C[NH+]2CCC(Cn3ccnn3)CC2)c([O-])c1 ZINC000092098670 472858475 /nfs/dbraw/zinc/85/84/75/472858475.db2.gz VMKLZLBAASJACD-UHFFFAOYSA-N 0 3 330.432 2.685 20 10 EFCDHN CCOc1cccc(C[NH+]2CCC(OC[C@H]3CCCO3)CC2)c1[O-] ZINC000092661781 472956664 /nfs/dbraw/zinc/95/66/64/472956664.db2.gz JSRGEYPCZYEHFA-QGZVFWFLSA-N 0 3 335.444 2.951 20 10 EFCDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)NCCCSc1nccs1 ZINC000107519146 472961319 /nfs/dbraw/zinc/96/13/19/472961319.db2.gz ZFGPSMCPEBWNGJ-CHWSQXEVSA-N 0 3 342.534 2.607 20 10 EFCDHN CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2cccc(OC)c2[O-])C1 ZINC000092731236 472973458 /nfs/dbraw/zinc/97/34/58/472973458.db2.gz HPMPKMFPJGXRAQ-ZBFHGGJFSA-N 0 3 334.460 2.918 20 10 EFCDHN CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(OC)c2[O-])C1 ZINC000092731236 472973463 /nfs/dbraw/zinc/97/34/63/472973463.db2.gz HPMPKMFPJGXRAQ-ZBFHGGJFSA-N 0 3 334.460 2.918 20 10 EFCDHN Cn1nccc1CN[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000080205700 472995688 /nfs/dbraw/zinc/99/56/88/472995688.db2.gz OKXFQGPFZMUYAF-ZDUSSCGKSA-N 0 3 336.386 2.780 20 10 EFCDHN [O-]c1cc2c(cc1C[N@@H+](CCCO)[C@H]1CCc3ccccc31)OCO2 ZINC000093389308 473101294 /nfs/dbraw/zinc/10/12/94/473101294.db2.gz WDHLMRGMAKLSKW-KRWDZBQOSA-N 0 3 341.407 2.993 20 10 EFCDHN [O-]c1cc2c(cc1C[N@H+](CCCO)[C@H]1CCc3ccccc31)OCO2 ZINC000093389308 473101296 /nfs/dbraw/zinc/10/12/96/473101296.db2.gz WDHLMRGMAKLSKW-KRWDZBQOSA-N 0 3 341.407 2.993 20 10 EFCDHN COc1cccc(C[NH+]2CCC(CN3CCCCC3=O)CC2)c1[O-] ZINC000093532221 473115776 /nfs/dbraw/zinc/11/57/76/473115776.db2.gz JLZKJDGUHVHMCE-UHFFFAOYSA-N 0 3 332.444 2.625 20 10 EFCDHN COc1cc(O)c(CN2CCN(C3CCCCC3)CC2)cc1OC ZINC000160437680 473124105 /nfs/dbraw/zinc/12/41/05/473124105.db2.gz WZVVIDIYVUPJJL-UHFFFAOYSA-N 0 3 334.460 2.860 20 10 EFCDHN CC[C@H](O)C[N@H+](Cc1ccccc1)Cc1cc2c(cc1[O-])OCO2 ZINC000093688165 473135616 /nfs/dbraw/zinc/13/56/16/473135616.db2.gz HZPIHUCFHOANQD-INIZCTEOSA-N 0 3 329.396 2.894 20 10 EFCDHN CC[C@H](O)C[N@@H+](Cc1ccccc1)Cc1cc2c(cc1[O-])OCO2 ZINC000093688165 473135621 /nfs/dbraw/zinc/13/56/21/473135621.db2.gz HZPIHUCFHOANQD-INIZCTEOSA-N 0 3 329.396 2.894 20 10 EFCDHN CC[C@H](O)CN(Cc1ccccc1)Cc1cc2c(cc1O)OCO2 ZINC000093688165 473135627 /nfs/dbraw/zinc/13/56/27/473135627.db2.gz HZPIHUCFHOANQD-INIZCTEOSA-N 0 3 329.396 2.894 20 10 EFCDHN COc1cc(Br)cc(CN2CC[C@]3(CCOC3)C2)c1O ZINC000093820038 473150898 /nfs/dbraw/zinc/15/08/98/473150898.db2.gz NBSXFTAEDZGDCW-HNNXBMFYSA-N 0 3 342.233 2.776 20 10 EFCDHN COc1ccc(O)c([C@H](C)NCc2ccccc2CS(C)(=O)=O)c1 ZINC000185649837 473477883 /nfs/dbraw/zinc/47/78/83/473477883.db2.gz OHPYRESBHJGGHP-ZDUSSCGKSA-N 0 3 349.452 2.796 20 10 EFCDHN COc1ccc([O-])c([C@H](C)[NH2+]Cc2ccccc2CS(C)(=O)=O)c1 ZINC000185649837 473477888 /nfs/dbraw/zinc/47/78/88/473477888.db2.gz OHPYRESBHJGGHP-ZDUSSCGKSA-N 0 3 349.452 2.796 20 10 EFCDHN Cc1ccc(NC(=O)c2cccc(O)c2[O-])c(OCC[NH+](C)C)c1 ZINC000185705029 473493731 /nfs/dbraw/zinc/49/37/31/473493731.db2.gz RKHYOONGJUACMO-UHFFFAOYSA-N 0 3 330.384 2.599 20 10 EFCDHN COc1ccccc1N1CC[C@H]([NH2+][C@@H](C)c2cc(F)ccc2[O-])C1=O ZINC000186102320 473591827 /nfs/dbraw/zinc/59/18/27/473591827.db2.gz VDUCJHXEGKRMFF-WFASDCNBSA-N 0 3 344.386 2.996 20 10 EFCDHN COc1cccc(C[NH2+]C[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1[O-] ZINC000179058846 473620142 /nfs/dbraw/zinc/62/01/42/473620142.db2.gz UMKTZVPQXULIFJ-INIZCTEOSA-N 0 3 340.423 2.539 20 10 EFCDHN C[C@H]([NH2+]C[C@H]1COC2(CCOCC2)O1)c1cc2c(cc1[O-])CCCC2 ZINC000186375565 473663894 /nfs/dbraw/zinc/66/38/94/473663894.db2.gz UBZZCGYUKZJZNG-YOEHRIQHSA-N 0 3 347.455 2.844 20 10 EFCDHN CCOc1ccc([O-])c(C[N@@H+]2CCC[C@H](C(=O)NCC3CC3)C2)c1 ZINC000179344114 473676990 /nfs/dbraw/zinc/67/69/90/473676990.db2.gz XPZJSMCDHFBVTH-HNNXBMFYSA-N 0 3 332.444 2.529 20 10 EFCDHN CCOc1ccc([O-])c(C[N@H+]2CCC[C@H](C(=O)NCC3CC3)C2)c1 ZINC000179344114 473676993 /nfs/dbraw/zinc/67/69/93/473676993.db2.gz XPZJSMCDHFBVTH-HNNXBMFYSA-N 0 3 332.444 2.529 20 10 EFCDHN O=C(c1ccc(F)cc1)N1CCCN(Cc2ccccc2O)CC1 ZINC000179573546 473695415 /nfs/dbraw/zinc/69/54/15/473695415.db2.gz RJDOOXCYTKITCI-UHFFFAOYSA-N 0 3 328.387 2.879 20 10 EFCDHN COc1cccc(C[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)c1[O-] ZINC000179779991 473724330 /nfs/dbraw/zinc/72/43/30/473724330.db2.gz AESKMCKFUNXEAK-HNNXBMFYSA-N 0 3 338.411 2.823 20 10 EFCDHN COc1cccc(C[N@H+]2CCC[C@H](c3nnc4ccccn43)C2)c1[O-] ZINC000179779991 473724335 /nfs/dbraw/zinc/72/43/35/473724335.db2.gz AESKMCKFUNXEAK-HNNXBMFYSA-N 0 3 338.411 2.823 20 10 EFCDHN COc1ccc([O-])c(C[NH+]2CCC(C(=O)N3CCC(C)CC3)CC2)c1 ZINC000179794058 473727097 /nfs/dbraw/zinc/72/70/97/473727097.db2.gz NILYCLDPFJPEGF-UHFFFAOYSA-N 0 3 346.471 2.871 20 10 EFCDHN COc1ccc(O)c(CN2CCC(C(=O)N3CCC(C)CC3)CC2)c1 ZINC000179794058 473727103 /nfs/dbraw/zinc/72/71/03/473727103.db2.gz NILYCLDPFJPEGF-UHFFFAOYSA-N 0 3 346.471 2.871 20 10 EFCDHN C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1cc(F)ccc1[O-] ZINC000179890887 473749487 /nfs/dbraw/zinc/74/94/87/473749487.db2.gz UFWSZLZWVPWPSY-UHFFFAOYSA-N 0 3 330.403 3.000 20 10 EFCDHN C[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cc1cc(F)ccc1[O-] ZINC000179890887 473749493 /nfs/dbraw/zinc/74/94/93/473749493.db2.gz UFWSZLZWVPWPSY-UHFFFAOYSA-N 0 3 330.403 3.000 20 10 EFCDHN C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(Cc2cc(F)ccc2[O-])CC1 ZINC000180011616 473777250 /nfs/dbraw/zinc/77/72/50/473777250.db2.gz YCAHURPXAXCTBL-IYBDPMFKSA-N 0 3 335.467 2.522 20 10 EFCDHN C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(Cc2cc(F)ccc2[O-])CC1 ZINC000180011616 473777260 /nfs/dbraw/zinc/77/72/60/473777260.db2.gz YCAHURPXAXCTBL-IYBDPMFKSA-N 0 3 335.467 2.522 20 10 EFCDHN COc1cccc(C[N@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)c1[O-] ZINC000193333866 473781485 /nfs/dbraw/zinc/78/14/85/473781485.db2.gz IANFMFNVTYYMPV-GASCZTMLSA-N 0 3 348.443 2.700 20 10 EFCDHN COc1cccc(C[N@@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)c1[O-] ZINC000193333866 473781492 /nfs/dbraw/zinc/78/14/92/473781492.db2.gz IANFMFNVTYYMPV-GASCZTMLSA-N 0 3 348.443 2.700 20 10 EFCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CC(=O)NC(C)C)c1[O-] ZINC000186946147 473786234 /nfs/dbraw/zinc/78/62/34/473786234.db2.gz ARRNXKBZUGXLSN-JTQLQIEISA-N 0 3 329.238 2.638 20 10 EFCDHN Cc1cccc(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c1[O-] ZINC000180082593 473793289 /nfs/dbraw/zinc/79/32/89/473793289.db2.gz LWKWCGKAKFQTGO-AWEZNQCLSA-N 0 3 348.468 2.802 20 10 EFCDHN Cc1cccc(CN[C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c1O ZINC000180082593 473793296 /nfs/dbraw/zinc/79/32/96/473793296.db2.gz LWKWCGKAKFQTGO-AWEZNQCLSA-N 0 3 348.468 2.802 20 10 EFCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCCCNC2=O)c1[O-] ZINC000186985250 473795750 /nfs/dbraw/zinc/79/57/50/473795750.db2.gz MCHSXIDGXHTMMV-GXFFZTMASA-N 0 3 341.249 2.782 20 10 EFCDHN CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cccc(O)c1[O-] ZINC000187153639 473826267 /nfs/dbraw/zinc/82/62/67/473826267.db2.gz MXNTVNKTFFGYGO-MRXNPFEDSA-N 0 3 340.423 2.692 20 10 EFCDHN CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cccc(O)c1[O-] ZINC000187153639 473826273 /nfs/dbraw/zinc/82/62/73/473826273.db2.gz MXNTVNKTFFGYGO-MRXNPFEDSA-N 0 3 340.423 2.692 20 10 EFCDHN COCC[C@@](C)(O)C[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-] ZINC000187214872 473838964 /nfs/dbraw/zinc/83/89/64/473838964.db2.gz VKARHEOVAKHWGL-IAQYHMDHSA-N 0 3 346.265 2.901 20 10 EFCDHN Cc1cc(Br)cc(C[NH2+]CC2([S@@](C)=O)CCC2)c1[O-] ZINC000281827226 473850200 /nfs/dbraw/zinc/85/02/00/473850200.db2.gz PMKHMNNKFMSQQL-LJQANCHMSA-N 0 3 346.290 2.854 20 10 EFCDHN Cc1ccc([C@H](C[NH2+]Cc2cc(F)ccc2[O-])N2CCOCC2)o1 ZINC000180411863 473870567 /nfs/dbraw/zinc/87/05/67/473870567.db2.gz PQCWZOXEWXYVLC-INIZCTEOSA-N 0 3 334.391 2.596 20 10 EFCDHN Cc1cc(Br)cc(C[N@@H+]2CCC[C@@H](CC(N)=O)C2)c1[O-] ZINC000180560000 473904985 /nfs/dbraw/zinc/90/49/85/473904985.db2.gz SZTCYNHDYUBXES-NSHDSACASA-N 0 3 341.249 2.551 20 10 EFCDHN Cc1cc(Br)cc(C[N@H+]2CCC[C@@H](CC(N)=O)C2)c1[O-] ZINC000180560000 473904989 /nfs/dbraw/zinc/90/49/89/473904989.db2.gz SZTCYNHDYUBXES-NSHDSACASA-N 0 3 341.249 2.551 20 10 EFCDHN COc1ccc([O-])c(C[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)c1 ZINC000180629516 473924153 /nfs/dbraw/zinc/92/41/53/473924153.db2.gz GAKPSXVXZICDIS-SFHVURJKSA-N 0 3 335.444 2.951 20 10 EFCDHN COCCn1c(C)c(C)c2cc(C(=O)NC[C@@H](C)N(C)C)ccc21 ZINC000264111278 473950352 /nfs/dbraw/zinc/95/03/52/473950352.db2.gz IWZVLMPKSSHLOW-CYBMUJFWSA-N 0 3 331.460 2.584 20 10 EFCDHN CCOc1ccnc(N2CCC[N@H+](Cc3cccc(C)c3[O-])CC2)n1 ZINC000180719023 473950485 /nfs/dbraw/zinc/95/04/85/473950485.db2.gz GFUXZGKLAZRJEH-UHFFFAOYSA-N 0 3 342.443 2.602 20 10 EFCDHN CCOc1ccnc(N2CCC[N@@H+](Cc3cccc(C)c3[O-])CC2)n1 ZINC000180719023 473950493 /nfs/dbraw/zinc/95/04/93/473950493.db2.gz GFUXZGKLAZRJEH-UHFFFAOYSA-N 0 3 342.443 2.602 20 10 EFCDHN COCCn1c(C)c(C)c2cc(C(=O)NC[C@H](C)N(C)C)ccc21 ZINC000264111281 473951062 /nfs/dbraw/zinc/95/10/62/473951062.db2.gz IWZVLMPKSSHLOW-ZDUSSCGKSA-N 0 3 331.460 2.584 20 10 EFCDHN C[C@H](CN(C)Cc1ccccc1)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000288609959 473999382 /nfs/dbraw/zinc/99/93/82/473999382.db2.gz QNCPFCZFMQDVMD-CQSZACIVSA-N 0 3 328.412 2.731 20 10 EFCDHN CN(C)c1ccc(CNCC2([S@](C)=O)CC2)c(C(F)(F)F)c1 ZINC000282298177 474013391 /nfs/dbraw/zinc/01/33/91/474013391.db2.gz JODKDTGQOHRCQW-QFIPXVFZSA-N 0 3 334.407 2.772 20 10 EFCDHN CC[C@H]([NH2+]Cc1ccc(N2CCOCC2)nc1)c1ccccc1[O-] ZINC000274957159 474024891 /nfs/dbraw/zinc/02/48/91/474024891.db2.gz WCIDADHHNAXNQK-KRWDZBQOSA-N 0 3 327.428 2.865 20 10 EFCDHN CN(C)c1ccc(CNC(=O)N2CC[C@@H](N3CCCCC3)C2)cc1F ZINC000264529444 474026175 /nfs/dbraw/zinc/02/61/75/474026175.db2.gz YFACBOXXZYZQMK-MRXNPFEDSA-N 0 3 348.466 2.662 20 10 EFCDHN O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)c1cccc(O)c1[O-] ZINC000188275057 474042427 /nfs/dbraw/zinc/04/24/27/474042427.db2.gz VXSRACQRGUFGAT-UHFFFAOYSA-N 0 3 326.396 2.988 20 10 EFCDHN Cc1cc(C)n(CC[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)n1 ZINC000264612034 474059079 /nfs/dbraw/zinc/05/90/79/474059079.db2.gz NZXZBBQMFZNYEP-SFHVURJKSA-N 0 3 329.444 2.887 20 10 EFCDHN Cc1cc(C)n(CC[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)n1 ZINC000264612034 474059086 /nfs/dbraw/zinc/05/90/86/474059086.db2.gz NZXZBBQMFZNYEP-SFHVURJKSA-N 0 3 329.444 2.887 20 10 EFCDHN COc1cc([O-])c(C[N@@H+]2CCC[C@@H](Cc3nccn3C)C2)cc1OC ZINC000182087914 474096685 /nfs/dbraw/zinc/09/66/85/474096685.db2.gz CGTPOIAAHPUPDE-AWEZNQCLSA-N 0 3 345.443 2.598 20 10 EFCDHN COc1cc([O-])c(C[N@H+]2CCC[C@@H](Cc3nccn3C)C2)cc1OC ZINC000182087914 474096696 /nfs/dbraw/zinc/09/66/96/474096696.db2.gz CGTPOIAAHPUPDE-AWEZNQCLSA-N 0 3 345.443 2.598 20 10 EFCDHN COc1ccc([O-])c(C[NH2+]CCCC(=O)N2CCc3ccccc32)c1 ZINC000182187245 474117951 /nfs/dbraw/zinc/11/79/51/474117951.db2.gz WSSJBUPZCOHUQI-UHFFFAOYSA-N 0 3 340.423 2.860 20 10 EFCDHN Cc1cccc(C[NH2+]CCCCN2C(=O)c3ccccc3C2=O)c1[O-] ZINC000182214245 474123972 /nfs/dbraw/zinc/12/39/72/474123972.db2.gz WURQZWMCRDISPZ-UHFFFAOYSA-N 0 3 338.407 2.867 20 10 EFCDHN CCCOc1ccc(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@@H]2O)c([O-])c1 ZINC000282649641 474142427 /nfs/dbraw/zinc/14/24/27/474142427.db2.gz HTRAVFSBRMDIQH-VQIMIIECSA-N 0 3 349.471 2.838 20 10 EFCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](O)COc2cccc(C)c2)c1 ZINC000182340215 474153565 /nfs/dbraw/zinc/15/35/65/474153565.db2.gz PDJGEKBXYNJKKO-HUUCEWRRSA-N 0 3 331.412 2.800 20 10 EFCDHN Cc1n[nH]c(CC[NH2+][C@@H](C)c2cc(Br)cc(C)c2[O-])n1 ZINC000275365261 474159782 /nfs/dbraw/zinc/15/97/82/474159782.db2.gz UMKWROJTCUNAKV-VIFPVBQESA-N 0 3 339.237 2.783 20 10 EFCDHN CN(C)c1ccc(CNCc2ccc(Cn3cncn3)cc2)cc1F ZINC000264970556 474162933 /nfs/dbraw/zinc/16/29/33/474162933.db2.gz QSUBLQMSFICTPJ-UHFFFAOYSA-N 0 3 339.418 2.821 20 10 EFCDHN COc1ccc(O)c([C@@H](C)N[C@H]2CCN(c3ccccc3F)C2=O)c1 ZINC000182412990 474169964 /nfs/dbraw/zinc/16/99/64/474169964.db2.gz PUSYPUWEXZZRHD-WBMJQRKESA-N 0 3 344.386 2.996 20 10 EFCDHN COc1ccc(O)c([C@@H](C)N[C@H]2CCCN(CC(F)(F)F)C2=O)c1 ZINC000182441211 474176417 /nfs/dbraw/zinc/17/64/17/474176417.db2.gz AOITUAFYWUDRQE-MFKMUULPSA-N 0 3 346.349 2.605 20 10 EFCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](O)COc2ccc(F)cc2)c1 ZINC000182457654 474180852 /nfs/dbraw/zinc/18/08/52/474180852.db2.gz QYMUBVKWQFIILC-TZMCWYRMSA-N 0 3 335.375 2.630 20 10 EFCDHN CCCOc1ccc(C[NH2+][C@@H]2CCO[C@@H](c3cncn3C)C2)c([O-])c1 ZINC000275502809 474212828 /nfs/dbraw/zinc/21/28/28/474212828.db2.gz JUGXRBWTDHYCAM-DNVCBOLYSA-N 0 3 345.443 2.924 20 10 EFCDHN C[C@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1[O-])C(=O)NCCF ZINC000282890794 474232263 /nfs/dbraw/zinc/23/22/63/474232263.db2.gz ZGVXSVNSRWDEMO-AWEZNQCLSA-N 0 3 346.402 2.535 20 10 EFCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]CCN1CCCOCC1 ZINC000289403607 474257669 /nfs/dbraw/zinc/25/76/69/474257669.db2.gz GXHMNZOAEFFHKH-UHFFFAOYSA-N 0 3 326.440 2.871 20 10 EFCDHN CNC(=O)CCC[N@H+](C)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000183103692 474328384 /nfs/dbraw/zinc/32/83/84/474328384.db2.gz HGESFBXLPMISBB-UHFFFAOYSA-N 0 3 342.439 2.929 20 10 EFCDHN CNC(=O)CCC[N@@H+](C)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000183103692 474328391 /nfs/dbraw/zinc/32/83/91/474328391.db2.gz HGESFBXLPMISBB-UHFFFAOYSA-N 0 3 342.439 2.929 20 10 EFCDHN C[C@H]1C[C@H](N2CCOCC2)CN1Cc1ccc(N2CCCCC2)cc1 ZINC000289591414 474337156 /nfs/dbraw/zinc/33/71/56/474337156.db2.gz KLSSOHRVOAKAAG-RXVVDRJESA-N 0 3 343.515 2.972 20 10 EFCDHN CCOc1ccc(O)c(CN2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c1 ZINC000289640888 474356697 /nfs/dbraw/zinc/35/66/97/474356697.db2.gz MHUROPOSTGUXMH-OCCSQVGLSA-N 0 3 333.350 2.784 20 10 EFCDHN CCOc1ccc(O)c(CN2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)c1 ZINC000289640892 474356988 /nfs/dbraw/zinc/35/69/88/474356988.db2.gz MHUROPOSTGUXMH-TZMCWYRMSA-N 0 3 333.350 2.784 20 10 EFCDHN CCN(CC)c1ccc(CN[C@H]2CCC[C@H](S(C)(=O)=O)C2)cc1 ZINC000265903775 474379607 /nfs/dbraw/zinc/37/96/07/474379607.db2.gz VWAZTYJKSQDNKW-WMZOPIPTSA-N 0 3 338.517 2.978 20 10 EFCDHN CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](C)c2ccccc2[O-])cc1 ZINC000183443412 474380690 /nfs/dbraw/zinc/38/06/90/474380690.db2.gz JEYURGYOVDPORE-STQMWFEESA-N 0 3 334.441 2.712 20 10 EFCDHN CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000183443449 474381153 /nfs/dbraw/zinc/38/11/53/474381153.db2.gz JEYURGYOVDPORE-QWHCGFSZSA-N 0 3 334.441 2.712 20 10 EFCDHN COc1cccc(C2(C[NH2+]Cc3cc4c(cc3[O-])OCO4)CC2)c1 ZINC000289708734 474389050 /nfs/dbraw/zinc/38/90/50/474389050.db2.gz DWQUCLZTASRMFW-UHFFFAOYSA-N 0 3 327.380 2.951 20 10 EFCDHN C[C@@H]([NH2+]CCCN1C(=O)COc2ccccc21)c1ccccc1[O-] ZINC000183612639 474400079 /nfs/dbraw/zinc/40/00/79/474400079.db2.gz SSXINFWGXWIASO-CQSZACIVSA-N 0 3 326.396 2.859 20 10 EFCDHN COC[C@@]1(C[NH2+]Cc2cccc(OC)c2[O-])OCCc2ccccc21 ZINC000289773736 474420879 /nfs/dbraw/zinc/42/08/79/474420879.db2.gz IZNGXRPDWKIODM-HXUWFJFHSA-N 0 3 343.423 2.605 20 10 EFCDHN CCCOc1ccc(C[NH+]2CCC3(C[C@@H]3C(=O)OC)CC2)c([O-])c1 ZINC000271199724 474439124 /nfs/dbraw/zinc/43/91/24/474439124.db2.gz SRNYXCHOSKDEBB-MRXNPFEDSA-N 0 3 333.428 2.956 20 10 EFCDHN CN(C)C1(CN(C)C(=O)NCc2ccc(N3CCCC3)cc2)CCC1 ZINC000189718558 474470304 /nfs/dbraw/zinc/47/03/04/474470304.db2.gz FGQUKFDYWHIFLZ-UHFFFAOYSA-N 0 3 344.503 2.913 20 10 EFCDHN CCN(Cc1ccccc1)c1ccc(CN[C@]2(CO)CCOC2)cc1 ZINC000184195638 474485169 /nfs/dbraw/zinc/48/51/69/474485169.db2.gz SGALUHFWBNVZPW-NRFANRHFSA-N 0 3 340.467 2.954 20 10 EFCDHN CN(C)C[C@@H](NCc1cc2c(cc1O)OCO2)c1ccc(F)cc1 ZINC000290062219 474544853 /nfs/dbraw/zinc/54/48/53/474544853.db2.gz HKGBGGVQZHSPQC-OAHLLOKOSA-N 0 3 332.375 2.653 20 10 EFCDHN Cc1cccc(C[NH2+][C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)c1[O-] ZINC000290316493 474566855 /nfs/dbraw/zinc/56/68/55/474566855.db2.gz CPHCOJMHAUEFKQ-WOJBJXKFSA-N 0 3 340.467 2.673 20 10 EFCDHN [O-]c1ccc(F)cc1C[NH2+][C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000290390693 474569219 /nfs/dbraw/zinc/56/92/19/474569219.db2.gz ITZVPTIHHAUIKR-VQIMIIECSA-N 0 3 344.430 2.504 20 10 EFCDHN COc1cc(CN(Cc2cc3c(cc2O)OCO3)C2CC2)ccc1O ZINC000276750383 474570298 /nfs/dbraw/zinc/57/02/98/474570298.db2.gz KRRWHXMANAUABE-UHFFFAOYSA-N 0 3 343.379 3.000 20 10 EFCDHN CCCOc1ccc(C[N@@H+]2CC[C@H](C(=O)N3CCCC3)C2)c([O-])c1 ZINC000290425278 474570541 /nfs/dbraw/zinc/57/05/41/474570541.db2.gz LAWTUJZCLSVMHU-INIZCTEOSA-N 0 3 332.444 2.625 20 10 EFCDHN CCCOc1ccc(C[N@H+]2CC[C@H](C(=O)N3CCCC3)C2)c([O-])c1 ZINC000290425278 474570544 /nfs/dbraw/zinc/57/05/44/474570544.db2.gz LAWTUJZCLSVMHU-INIZCTEOSA-N 0 3 332.444 2.625 20 10 EFCDHN C[C@H](N[C@H](CO)C[C@@H](O)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000271527452 474580680 /nfs/dbraw/zinc/58/06/80/474580680.db2.gz QKHMSTNRRAWCEQ-ZAAXVRCTSA-N 0 3 328.456 2.888 20 10 EFCDHN C[C@H](N[C@@H](CO)C[C@H](O)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000271527437 474580891 /nfs/dbraw/zinc/58/08/91/474580891.db2.gz QKHMSTNRRAWCEQ-CVAIRZPRSA-N 0 3 328.456 2.888 20 10 EFCDHN COc1cc(O)c(CN(CCCO)Cc2ccccc2)cc1OC ZINC000271718546 474587113 /nfs/dbraw/zinc/58/71/13/474587113.db2.gz JGHVXNQMWAHZHZ-UHFFFAOYSA-N 0 3 331.412 2.794 20 10 EFCDHN [O-]c1cc2c(cc1C[NH2+]C[C@@H]1CCN(c3ccccc3F)C1)OCO2 ZINC000291082579 474593192 /nfs/dbraw/zinc/59/31/92/474593192.db2.gz VKTDWZHGJZMYSC-ZDUSSCGKSA-N 0 3 344.386 2.876 20 10 EFCDHN CN(C)c1ccc(CNC(=O)NC[C@@H]2CCCCN2C2CC2)cc1 ZINC000277709765 474594481 /nfs/dbraw/zinc/59/44/81/474594481.db2.gz HAJKLXUMWDIFJQ-SFHVURJKSA-N 0 3 330.476 2.569 20 10 EFCDHN CON(C)C(=O)C1CCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000291165543 474596170 /nfs/dbraw/zinc/59/61/70/474596170.db2.gz CZLUZBYFKBOXDU-UHFFFAOYSA-N 0 3 345.487 2.909 20 10 EFCDHN Cc1cc(Br)cc(C[NH2+]C[C@@](C)(O)C(F)(F)F)c1[O-] ZINC000271858827 474596425 /nfs/dbraw/zinc/59/64/25/474596425.db2.gz VJLLAKDRXJWJFG-LLVKDONJSA-N 0 3 342.155 2.866 20 10 EFCDHN CCOc1cccc(C[N@@H+]2CC[C@@](CO)(c3ccccc3)C2)c1[O-] ZINC000291272295 474599461 /nfs/dbraw/zinc/59/94/61/474599461.db2.gz NWIFEWRWEBSAQH-HXUWFJFHSA-N 0 3 327.424 2.927 20 10 EFCDHN CCOc1cccc(C[N@H+]2CC[C@@](CO)(c3ccccc3)C2)c1[O-] ZINC000291272295 474599465 /nfs/dbraw/zinc/59/94/65/474599465.db2.gz NWIFEWRWEBSAQH-HXUWFJFHSA-N 0 3 327.424 2.927 20 10 EFCDHN CCN(CC)c1ccc(CN2CCC(C(=O)N(C)OC)CC2)cc1 ZINC000291375124 474602031 /nfs/dbraw/zinc/60/20/31/474602031.db2.gz ZSZPVBUYYKWXKH-UHFFFAOYSA-N 0 3 333.476 2.765 20 10 EFCDHN CCN(CC)c1ccc(CNC(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)cc1 ZINC000272440334 474611536 /nfs/dbraw/zinc/61/15/36/474611536.db2.gz KZCFLXMQZNTXBH-HKUYNNGSSA-N 0 3 344.503 2.768 20 10 EFCDHN O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272493776 474614575 /nfs/dbraw/zinc/61/45/75/474614575.db2.gz RXNQTZGUGZHJQY-UGAXZCSASA-N 0 3 338.407 2.502 20 10 EFCDHN COc1ccc(O)c(CN2C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000278404533 474634837 /nfs/dbraw/zinc/63/48/37/474634837.db2.gz OWDZDXJHFGVQNI-IUODEOHRSA-N 0 3 336.432 2.746 20 10 EFCDHN C[C@@H](NC(=O)N(C)Cc1ccc(N(C)C)cc1)C1=CCN(C)CC1 ZINC000272909095 474638900 /nfs/dbraw/zinc/63/89/00/474638900.db2.gz JJADULAQPBEMBB-OAHLLOKOSA-N 0 3 330.476 2.544 20 10 EFCDHN COc1cc(O)c(CN2CCC[C@@H]([C@H](O)C(F)(F)F)C2)cc1OC ZINC000278438561 474644091 /nfs/dbraw/zinc/64/40/91/474644091.db2.gz VILXSHYYANXJLP-BMIGLBTASA-N 0 3 349.349 2.545 20 10 EFCDHN CC(C)OC(=O)C1(C(=O)OC(C)C)CC([NH2+]Cc2ccccc2[O-])C1 ZINC000272967041 474653402 /nfs/dbraw/zinc/65/34/02/474653402.db2.gz QZMWOLKOGJMPAX-UHFFFAOYSA-N 0 3 349.427 2.534 20 10 EFCDHN COc1c([O-])c(CNCCC[N@@H+]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000278563487 474704150 /nfs/dbraw/zinc/70/41/50/474704150.db2.gz BQLABCXFAPSHMU-CYBMUJFWSA-N 0 3 337.420 2.663 20 10 EFCDHN COc1c([O-])c(CNCCC[N@H+]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000278563487 474704157 /nfs/dbraw/zinc/70/41/57/474704157.db2.gz BQLABCXFAPSHMU-CYBMUJFWSA-N 0 3 337.420 2.663 20 10 EFCDHN COc1c([O-])c(C[NH2+]CCCN2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000278563487 474704165 /nfs/dbraw/zinc/70/41/65/474704165.db2.gz BQLABCXFAPSHMU-CYBMUJFWSA-N 0 3 337.420 2.663 20 10 EFCDHN COc1c([O-])c(C[NH2+]C[C@H]2CCCN(C(C)C)C2)ccc1[N+](=O)[O-] ZINC000278563390 474704559 /nfs/dbraw/zinc/70/45/59/474704559.db2.gz BPBXFXUUPHLBSR-CYBMUJFWSA-N 0 3 337.420 2.519 20 10 EFCDHN COc1c([O-])c(CNC[C@H]2CCC[N@@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000278563390 474704564 /nfs/dbraw/zinc/70/45/64/474704564.db2.gz BPBXFXUUPHLBSR-CYBMUJFWSA-N 0 3 337.420 2.519 20 10 EFCDHN COc1c([O-])c(CNC[C@H]2CCC[N@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000278563390 474704568 /nfs/dbraw/zinc/70/45/68/474704568.db2.gz BPBXFXUUPHLBSR-CYBMUJFWSA-N 0 3 337.420 2.519 20 10 EFCDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCS(=O)(=O)C1 ZINC000284765759 474759411 /nfs/dbraw/zinc/75/94/11/474759411.db2.gz MKRBCKBDENFSGZ-OAHLLOKOSA-N 0 3 325.474 2.819 20 10 EFCDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCS(=O)(=O)C1 ZINC000284765759 474759416 /nfs/dbraw/zinc/75/94/16/474759416.db2.gz MKRBCKBDENFSGZ-OAHLLOKOSA-N 0 3 325.474 2.819 20 10 EFCDHN CCO[C@H]1C[C@@H](O)C12CCN(Cc1ccc(N(C)C)c(C)c1)CC2 ZINC000293026975 474774185 /nfs/dbraw/zinc/77/41/85/474774185.db2.gz IRLFWMORFQRUMR-MOPGFXCFSA-N 0 3 332.488 2.813 20 10 EFCDHN COc1cccc(CN2CCC[C@@H](Oc3ncccc3F)C2)c1O ZINC000278699223 474781998 /nfs/dbraw/zinc/78/19/98/474781998.db2.gz PDDBQUNMOMXERF-CQSZACIVSA-N 0 3 332.375 2.978 20 10 EFCDHN CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000268113585 474805287 /nfs/dbraw/zinc/80/52/87/474805287.db2.gz DCGGEVNBAGTGBW-WMLDXEAASA-N 0 3 331.460 2.797 20 10 EFCDHN C[C@@H]([NH2+][C@H]1CCCN(Cc2ccccn2)C1=O)c1ccccc1[O-] ZINC000273268522 474813127 /nfs/dbraw/zinc/81/31/27/474813127.db2.gz OCCQWDQLUMTPGM-PBHICJAKSA-N 0 3 325.412 2.629 20 10 EFCDHN CCOCc1cc(CNCc2ccc(C)n(C)c2=O)ccc1OC ZINC000278750067 474813291 /nfs/dbraw/zinc/81/32/91/474813291.db2.gz NCSAUSANMGIIMX-UHFFFAOYSA-N 0 3 330.428 2.529 20 10 EFCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)nc2)c1 ZINC000273373602 474866722 /nfs/dbraw/zinc/86/67/22/474866722.db2.gz GPEIANHFMOILFB-OAHLLOKOSA-N 0 3 327.428 2.783 20 10 EFCDHN Cc1ccc(O)c([C@@H](C)NCc2ccc(N3CCOCC3)nc2)c1 ZINC000273373602 474866730 /nfs/dbraw/zinc/86/67/30/474866730.db2.gz GPEIANHFMOILFB-OAHLLOKOSA-N 0 3 327.428 2.783 20 10 EFCDHN C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cc2c(cc1[O-])OCO2 ZINC000285031776 474868855 /nfs/dbraw/zinc/86/88/55/474868855.db2.gz IJZGSIWWMDOSLO-UHFFFAOYSA-N 0 3 330.340 2.704 20 10 EFCDHN C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1cc2c(cc1[O-])OCO2 ZINC000285031776 474868863 /nfs/dbraw/zinc/86/88/63/474868863.db2.gz IJZGSIWWMDOSLO-UHFFFAOYSA-N 0 3 330.340 2.704 20 10 EFCDHN Cc1ccc([C@H](C)[NH2+]C[C@H](C(C)C)N2CCN(C)CC2)c([O-])c1C ZINC000273389265 474875317 /nfs/dbraw/zinc/87/53/17/474875317.db2.gz KIZBDRQAWKFXGP-PKOBYXMFSA-N 0 3 333.520 2.932 20 10 EFCDHN COCCC(=O)N1CCC([NH2+][C@H](C)c2ccc(C)c(C)c2[O-])CC1 ZINC000273445063 474901585 /nfs/dbraw/zinc/90/15/85/474901585.db2.gz DUCFHJYBTYSCBN-OAHLLOKOSA-N 0 3 334.460 2.687 20 10 EFCDHN COC(=O)COc1cccc(C[NH2+][C@@H](C)c2cc(OC)ccc2[O-])c1 ZINC000273496245 474929134 /nfs/dbraw/zinc/92/91/34/474929134.db2.gz PGONXUVLJMCIMX-ZDUSSCGKSA-N 0 3 345.395 2.803 20 10 EFCDHN COC(=O)COc1cccc(CN[C@@H](C)c2cc(OC)ccc2O)c1 ZINC000273496245 474929145 /nfs/dbraw/zinc/92/91/45/474929145.db2.gz PGONXUVLJMCIMX-ZDUSSCGKSA-N 0 3 345.395 2.803 20 10 EFCDHN COc1cc(O)c(CN2CCC[C@](O)(C(F)(F)F)CC2)cc1OC ZINC000285237477 474940818 /nfs/dbraw/zinc/94/08/18/474940818.db2.gz VWRRHWKWWUPMIB-OAHLLOKOSA-N 0 3 349.349 2.689 20 10 EFCDHN CS(=O)(=O)C1(CNCc2ccc(N3CCCCC3)cc2)CCC1 ZINC000279653350 474983391 /nfs/dbraw/zinc/98/33/91/474983391.db2.gz FIFSNODVMQXWOA-UHFFFAOYSA-N 0 3 336.501 2.734 20 10 EFCDHN O=C(NC1CC1)N[C@@H]1CC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000273600290 474984904 /nfs/dbraw/zinc/98/49/04/474984904.db2.gz JFRCBBNLJSNRFH-OAHLLOKOSA-N 0 3 325.412 2.581 20 10 EFCDHN O=C(NC1CC1)N[C@@H]1CC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000273600290 474984916 /nfs/dbraw/zinc/98/49/16/474984916.db2.gz JFRCBBNLJSNRFH-OAHLLOKOSA-N 0 3 325.412 2.581 20 10 EFCDHN C[C@@H](NC(=O)c1cccc(O)c1[O-])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000279789555 474991317 /nfs/dbraw/zinc/99/13/17/474991317.db2.gz IMCVXJLWYRDKKJ-ZBFHGGJFSA-N 0 3 340.423 2.738 20 10 EFCDHN C[C@@H](NC(=O)c1cccc(O)c1[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000279789555 474991327 /nfs/dbraw/zinc/99/13/27/474991327.db2.gz IMCVXJLWYRDKKJ-ZBFHGGJFSA-N 0 3 340.423 2.738 20 10 EFCDHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@H]2CCCN(C(C)C)C2)c1 ZINC000273622761 474993921 /nfs/dbraw/zinc/99/39/21/474993921.db2.gz ZOJGCTCLCDALJS-LSDHHAIUSA-N 0 3 334.460 2.950 20 10 EFCDHN CCCOc1ccc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C(C)(C)C)c([O-])c1 ZINC000285389673 475000774 /nfs/dbraw/zinc/00/07/74/475000774.db2.gz DEHVUPYOFLVKAJ-CRAIPNDOSA-N 0 3 334.460 2.964 20 10 EFCDHN CC(C)NC(=O)CCNCc1ccc(N(C)C)cc1C(F)(F)F ZINC000280070183 475007874 /nfs/dbraw/zinc/00/78/74/475007874.db2.gz XPLDMCZPLHZIML-UHFFFAOYSA-N 0 3 331.382 2.776 20 10 EFCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]C[C@H](CO)[C@H]1CCOC1 ZINC000280206902 475014762 /nfs/dbraw/zinc/01/47/62/475014762.db2.gz FIVQBXANZDSYSO-PKOBYXMFSA-N 0 3 327.424 2.794 20 10 EFCDHN CC[C@@H]([NH2+][C@H]1CCN(c2cc(C)nn2C)C1=O)c1ccc(C)cc1[O-] ZINC000280247381 475017118 /nfs/dbraw/zinc/01/71/18/475017118.db2.gz WIVRWVDVLVBOOL-CVEARBPZSA-N 0 3 342.443 2.589 20 10 EFCDHN CO[C@@]1(C)CCCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000280314761 475019401 /nfs/dbraw/zinc/01/94/01/475019401.db2.gz GOBZPURYXIJKFJ-FQEVSTJZSA-N 0 3 347.503 2.602 20 10 EFCDHN C[C@@]1(C(N)=O)CC[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000280298662 475019931 /nfs/dbraw/zinc/01/99/31/475019931.db2.gz ORUVJSXYXHSREP-HXUWFJFHSA-N 0 3 340.423 2.669 20 10 EFCDHN C[C@@]1(C(N)=O)CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000280298662 475019939 /nfs/dbraw/zinc/01/99/39/475019939.db2.gz ORUVJSXYXHSREP-HXUWFJFHSA-N 0 3 340.423 2.669 20 10 EFCDHN COc1cc(Cl)cc(C[NH2+][C@H](CO)Cc2ccc(F)cc2)c1[O-] ZINC000273711369 475021573 /nfs/dbraw/zinc/02/15/73/475021573.db2.gz GHCOEUACMJJQFP-HNNXBMFYSA-N 0 3 339.794 2.887 20 10 EFCDHN CCOc1ccc([O-])c(C[NH2+][C@H]2CCCN(C(=O)N3CCCC3)C2)c1 ZINC000285594512 475033401 /nfs/dbraw/zinc/03/34/01/475033401.db2.gz UUKFDVUQNBMTTR-INIZCTEOSA-N 0 3 347.459 2.561 20 10 EFCDHN Cc1ccc([C@H](C)[NH2+]C[C@H](N2CCOCC2)C(F)(F)F)c([O-])c1 ZINC000285636302 475035660 /nfs/dbraw/zinc/03/56/60/475035660.db2.gz KRDLEOLCFYVXGI-WFASDCNBSA-N 0 3 332.366 2.614 20 10 EFCDHN CCN1CCN(C[C@H](C)C[NH2+][C@H](C)c2c(C)cc(C)cc2[O-])CC1 ZINC000293570243 475040033 /nfs/dbraw/zinc/04/00/33/475040033.db2.gz DJVSZHOVUMJDCM-SJLPKXTDSA-N 0 3 333.520 2.933 20 10 EFCDHN C[C@H](NC[C@@H]1CCS(=O)(=O)C1)c1ccc(N2CCCCC2)cc1 ZINC000268749672 475040524 /nfs/dbraw/zinc/04/05/24/475040524.db2.gz IXXPBQSOSCMSCT-HOTGVXAUSA-N 0 3 336.501 2.762 20 10 EFCDHN C[C@H](NC[C@@H](O)c1cnn(C)c1)c1ccc(N2CCCCC2)c(F)c1 ZINC000268852397 475045035 /nfs/dbraw/zinc/04/50/35/475045035.db2.gz BYNAFDLHNFTBIJ-IFXJQAMLSA-N 0 3 346.450 2.934 20 10 EFCDHN COc1ccc(N2CCN(CCN[C@H](C)c3ccco3)CC2)cc1 ZINC000268833712 475045084 /nfs/dbraw/zinc/04/50/84/475045084.db2.gz OXZMIZDSBGUING-MRXNPFEDSA-N 0 3 329.444 2.761 20 10 EFCDHN CN(C)c1ccc(CNCCSCCCO)c(C(F)(F)F)c1 ZINC000280757341 475047674 /nfs/dbraw/zinc/04/76/74/475047674.db2.gz DFMSFLHTNPIHFZ-UHFFFAOYSA-N 0 3 336.423 2.977 20 10 EFCDHN CCCNC(=O)CN1CCC([NH2+][C@@H](C)c2c(C)cc(C)cc2[O-])CC1 ZINC000293698118 475049002 /nfs/dbraw/zinc/04/90/02/475049002.db2.gz LFJVDGZDHOBYSJ-INIZCTEOSA-N 0 3 347.503 2.650 20 10 EFCDHN CC[C@H]([NH2+]C1CCN([C@H]2CCC[C@@H]2O)CC1)c1ccc(F)cc1[O-] ZINC000286016969 475050320 /nfs/dbraw/zinc/05/03/20/475050320.db2.gz IKVSKYKSPFFJED-BZSNNMDCSA-N 0 3 336.451 2.950 20 10 EFCDHN CC[C@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cnn(C)c1 ZINC000268885553 475051271 /nfs/dbraw/zinc/05/12/71/475051271.db2.gz YUKHTYALUVMASV-SFHVURJKSA-N 0 3 346.450 2.761 20 10 EFCDHN CCS[C@@H]1CCC[C@H]1NCC(=O)NCc1ccc(N(C)C)cc1 ZINC000286236738 475057288 /nfs/dbraw/zinc/05/72/88/475057288.db2.gz RRJOKLADYIYJPT-IAGOWNOFSA-N 0 3 335.517 2.633 20 10 EFCDHN CCOc1cccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3CCOC)c1[O-] ZINC000293978470 475060254 /nfs/dbraw/zinc/06/02/54/475060254.db2.gz KTBRJRZOKSGFKY-JWTNVVGKSA-N 0 3 348.487 2.865 20 10 EFCDHN CCOc1cccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3CCOC)c1[O-] ZINC000293978470 475060264 /nfs/dbraw/zinc/06/02/64/475060264.db2.gz KTBRJRZOKSGFKY-JWTNVVGKSA-N 0 3 348.487 2.865 20 10 EFCDHN COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)N2Cc2ccc(N(C)C)c(C)c2)O1 ZINC000294307842 475066211 /nfs/dbraw/zinc/06/62/11/475066211.db2.gz XHAHCNZEMULSNW-PIKADFDJSA-N 0 3 346.471 2.744 20 10 EFCDHN Cc1cc(C)c([C@@H](C)[NH2+]Cc2cccc(OCC(N)=O)c2)c([O-])c1 ZINC000294604547 475074160 /nfs/dbraw/zinc/07/41/60/475074160.db2.gz DJIPYZKINFORJJ-CQSZACIVSA-N 0 3 328.412 2.724 20 10 EFCDHN C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCC[N@@H+]2Cc2cc3c(cc2[O-])OCO3)C1 ZINC000281133324 475083712 /nfs/dbraw/zinc/08/37/12/475083712.db2.gz DBQYJOROBFXCSU-MIGQKNRLSA-N 0 3 333.428 2.882 20 10 EFCDHN C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCC[N@H+]2Cc2cc3c(cc2[O-])OCO3)C1 ZINC000281133324 475083723 /nfs/dbraw/zinc/08/37/23/475083723.db2.gz DBQYJOROBFXCSU-MIGQKNRLSA-N 0 3 333.428 2.882 20 10 EFCDHN CN(Cc1cccs1)c1ccc(CN[C@@H]2CC(=O)N(C)C2)cc1 ZINC000295209482 475112337 /nfs/dbraw/zinc/11/23/37/475112337.db2.gz PXPVIMUOPLOBOT-OAHLLOKOSA-N 0 3 329.469 2.705 20 10 EFCDHN CCC[NH2+][C@H](C)C(=O)N(CC)Cc1cc(Br)ccc1[O-] ZINC000295226880 475112996 /nfs/dbraw/zinc/11/29/96/475112996.db2.gz RMFIUIPNTQECRE-LLVKDONJSA-N 0 3 343.265 2.891 20 10 EFCDHN COC1CCN(c2ccc(CN3CC[C@H](O)C(C)(C)C3)cc2)CC1 ZINC000295734546 475133322 /nfs/dbraw/zinc/13/33/22/475133322.db2.gz MHBDBUNAUYQRBO-IBGZPJMESA-N 0 3 332.488 2.895 20 10 EFCDHN Cc1ccc([C@@H](C)[NH2+]C2CCC(CS(C)(=O)=O)CC2)c([O-])c1 ZINC000297405721 475743438 /nfs/dbraw/zinc/74/34/38/475743438.db2.gz SUNHCEJMBGSQPB-WLYUNCDWSA-N 0 3 325.474 2.955 20 10 EFCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@H](O)COc1ccc(F)c(F)c1)CC2 ZINC000297606318 475827840 /nfs/dbraw/zinc/82/78/40/475827840.db2.gz IICRLJJVIGBNMU-LRDDRELGSA-N 0 3 335.350 2.687 20 10 EFCDHN CCCCCC(=O)NC1CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000299585261 476143717 /nfs/dbraw/zinc/14/37/17/476143717.db2.gz RWYXAKKKIBFHNG-UHFFFAOYSA-N 0 3 348.443 2.782 20 10 EFCDHN CCCN(Cc1cc(=O)n2ccsc2n1)Cc1ccccc1O ZINC000299637672 476147074 /nfs/dbraw/zinc/14/70/74/476147074.db2.gz MJUSYBNRCHTQGU-UHFFFAOYSA-N 0 3 329.425 2.874 20 10 EFCDHN COc1cc([O-])c(C[N@@H+]2CCC[C@@H](c3ccnn3C)C2)cc1OC ZINC000368596785 476359615 /nfs/dbraw/zinc/35/96/15/476359615.db2.gz VWEHTRFQETWXQG-CYBMUJFWSA-N 0 3 331.416 2.523 20 10 EFCDHN COc1cc([O-])c(C[N@H+]2CCC[C@@H](c3ccnn3C)C2)cc1OC ZINC000368596785 476359622 /nfs/dbraw/zinc/35/96/22/476359622.db2.gz VWEHTRFQETWXQG-CYBMUJFWSA-N 0 3 331.416 2.523 20 10 EFCDHN COc1cc([O-])c(C[N@@H+]2CCC[C@@H](c3nccn3C)C2)cc1OC ZINC000373225241 476386078 /nfs/dbraw/zinc/38/60/78/476386078.db2.gz DKYQRBMHQOZEDI-CYBMUJFWSA-N 0 3 331.416 2.523 20 10 EFCDHN COc1cc([O-])c(C[N@H+]2CCC[C@@H](c3nccn3C)C2)cc1OC ZINC000373225241 476386081 /nfs/dbraw/zinc/38/60/81/476386081.db2.gz DKYQRBMHQOZEDI-CYBMUJFWSA-N 0 3 331.416 2.523 20 10 EFCDHN C[C@H]([NH2+][C@H]1CCN(c2ccccc2C(N)=O)C1)c1cc(F)ccc1[O-] ZINC000373256665 476388937 /nfs/dbraw/zinc/38/89/37/476388937.db2.gz QVZGIXRCJUUORW-JSGCOSHPSA-N 0 3 343.402 2.560 20 10 EFCDHN C[C@H]([NH2+][C@@H]1CCN(c2ccccc2C(N)=O)C1)c1cc(F)ccc1[O-] ZINC000373256664 476389610 /nfs/dbraw/zinc/38/96/10/476389610.db2.gz QVZGIXRCJUUORW-GXTWGEPZSA-N 0 3 343.402 2.560 20 10 EFCDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCN(c3ccccc3C(N)=O)C2)c1 ZINC000373257057 476389795 /nfs/dbraw/zinc/38/97/95/476389795.db2.gz RZYAMDIEUXBICS-HUUCEWRRSA-N 0 3 339.439 2.729 20 10 EFCDHN Cc1cc(Br)cc(CN2CC([C@@H]3CCOC3)C2)c1O ZINC000373466697 476404551 /nfs/dbraw/zinc/40/45/51/476404551.db2.gz PEJBUPPZSCXUPU-LLVKDONJSA-N 0 3 326.234 2.931 20 10 EFCDHN CCOc1cccc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2cnn(C)c2)c1[O-] ZINC000374256522 476463577 /nfs/dbraw/zinc/46/35/77/476463577.db2.gz NYKOLJFNJFATON-IRXDYDNUSA-N 0 3 345.443 2.613 20 10 EFCDHN CCOc1cccc(C[N@H+]2CCC[C@H]2C[C@H](O)c2cnn(C)c2)c1[O-] ZINC000374256522 476463580 /nfs/dbraw/zinc/46/35/80/476463580.db2.gz NYKOLJFNJFATON-IRXDYDNUSA-N 0 3 345.443 2.613 20 10 EFCDHN Cc1ccc([O-])c(C[N@@H+]2CCCC[C@@H]2COC(=O)N[C@H]2CCOC2)c1 ZINC000377689506 476522551 /nfs/dbraw/zinc/52/25/51/476522551.db2.gz CCVKEXHEDKNFCL-DLBZAZTESA-N 0 3 348.443 2.570 20 10 EFCDHN Cc1ccc([O-])c(C[N@H+]2CCCC[C@@H]2COC(=O)N[C@H]2CCOC2)c1 ZINC000377689506 476522559 /nfs/dbraw/zinc/52/25/59/476522559.db2.gz CCVKEXHEDKNFCL-DLBZAZTESA-N 0 3 348.443 2.570 20 10 EFCDHN Cc1cccc(C[N@@H+]2CCCC[C@@H]2COC(=O)N[C@H]2CCOC2)c1[O-] ZINC000377720493 476545285 /nfs/dbraw/zinc/54/52/85/476545285.db2.gz LTYRYFUWTJWCBS-DLBZAZTESA-N 0 3 348.443 2.570 20 10 EFCDHN Cc1cccc(C[N@H+]2CCCC[C@@H]2COC(=O)N[C@H]2CCOC2)c1[O-] ZINC000377720493 476545288 /nfs/dbraw/zinc/54/52/88/476545288.db2.gz LTYRYFUWTJWCBS-DLBZAZTESA-N 0 3 348.443 2.570 20 10 EFCDHN CN(C)c1ccc(CN2CCC(OC[C@@H]3CCOC3)CC2)cc1F ZINC000374907728 476586636 /nfs/dbraw/zinc/58/66/36/476586636.db2.gz FWQIYHFNRIYQRK-MRXNPFEDSA-N 0 3 336.451 2.909 20 10 EFCDHN CCOc1ccc([O-])c(C[NH+]2CCC(OC[C@@H]3CCOC3)CC2)c1 ZINC000374909230 476587372 /nfs/dbraw/zinc/58/73/72/476587372.db2.gz JHNRTAXKOICVLL-OAHLLOKOSA-N 0 3 335.444 2.808 20 10 EFCDHN CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(OC)c2[O-])[C@@]12CCCO2 ZINC000375205736 476717326 /nfs/dbraw/zinc/71/73/26/476717326.db2.gz FKKCZQJTXLXSLF-INMHGKMJSA-N 0 3 341.835 2.870 20 10 EFCDHN COCCn1c(C)c(C)c2cc(C(=O)NC(C)(C)CN(C)C)ccc21 ZINC000457208827 476928117 /nfs/dbraw/zinc/92/81/17/476928117.db2.gz OJTQZLOMYKZPCY-UHFFFAOYSA-N 0 3 345.487 2.975 20 10 EFCDHN Cc1cc([O-])c(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1C ZINC000376118372 477184233 /nfs/dbraw/zinc/18/42/33/477184233.db2.gz UHURMIUKFZLBPA-UHFFFAOYSA-N 0 3 330.388 2.951 20 10 EFCDHN C[C@@H]([NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)c1cc(Cl)ccc1[O-] ZINC000368328340 477798176 /nfs/dbraw/zinc/79/81/76/477798176.db2.gz OXXABPXTZANBPC-UKRRQHHQSA-N 0 3 337.895 2.865 20 10 EFCDHN COc1ccc(-n2c(C)cc(C(=O)NC[C@@H]3C[C@H](F)CN3)c2C)cc1 ZINC000368378624 477802300 /nfs/dbraw/zinc/80/23/00/477802300.db2.gz PTUOVNONNMVWFR-GJZGRUSLSA-N 0 3 345.418 2.533 20 10 EFCDHN CCN1CCC[C@H](NC(=O)NCc2c(C)c3ccccc3n2C)C1 ZINC000471716795 478009248 /nfs/dbraw/zinc/00/92/48/478009248.db2.gz OJRJRAXESXMFKQ-HNNXBMFYSA-N 0 3 328.460 2.770 20 10 EFCDHN Cc1c2ccccc2n(C)c1CNC(=O)N1CC[C@H]2CCN(C)C[C@H]21 ZINC000472221146 478012207 /nfs/dbraw/zinc/01/22/07/478012207.db2.gz MLIYUAMEMZNOCG-DNVCBOLYSA-N 0 3 340.471 2.722 20 10 EFCDHN Cc1c2ccccc2n(C)c1CNC(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000472221143 478012373 /nfs/dbraw/zinc/01/23/73/478012373.db2.gz MLIYUAMEMZNOCG-BEFAXECRSA-N 0 3 340.471 2.722 20 10 EFCDHN Cc1c2ccccc2n(C)c1CNC(=O)N(C)CC1CCN(C)CC1 ZINC000472241862 478012397 /nfs/dbraw/zinc/01/23/97/478012397.db2.gz QKXWPUVKMUEUTP-UHFFFAOYSA-N 0 3 342.487 2.970 20 10 EFCDHN Cc1c2ccccc2n(C)c1CNC(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000472242860 478014725 /nfs/dbraw/zinc/01/47/25/478014725.db2.gz PYQJZKUKSSPLLQ-INIZCTEOSA-N 0 3 342.487 2.970 20 10 EFCDHN C[C@H]1CCN(C(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)c2c([O-])cccc21 ZINC000592566365 478942972 /nfs/dbraw/zinc/94/29/72/478942972.db2.gz MBVCGAHPEVHKSL-QWHCGFSZSA-N 0 3 340.427 2.579 20 10 EFCDHN C[C@@H]1CCN(C(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)c2c([O-])cccc21 ZINC000592566360 478943339 /nfs/dbraw/zinc/94/33/39/478943339.db2.gz MBVCGAHPEVHKSL-CHWSQXEVSA-N 0 3 340.427 2.579 20 10 EFCDHN Cc1cccc(CNc2ccc(C(=O)NCCN(C)C)cc2)c1O ZINC000529645320 479233534 /nfs/dbraw/zinc/23/35/34/479233534.db2.gz SBYDXZZJBNMIFU-UHFFFAOYSA-N 0 3 327.428 2.604 20 10 EFCDHN COc1ccc(N(C)C(=O)c2cccc3c2CCNC3)c(OC)c1 ZINC000662795158 481972884 /nfs/dbraw/zinc/97/28/84/481972884.db2.gz UPNVKAZKJVOMES-UHFFFAOYSA-N 0 3 326.396 2.626 20 10 EFCDHN Cc1nsc(N2CCCN(Cc3cc(C)c(C)cc3O)CC2)n1 ZINC000173411891 534504742 /nfs/dbraw/zinc/50/47/42/534504742.db2.gz VRFKNYHSXUJVCM-UHFFFAOYSA-N 0 3 332.473 2.881 20 10 EFCDHN CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@H]2CCc3cccc([O-])c32)c1 ZINC000297965444 522310544 /nfs/dbraw/zinc/31/05/44/522310544.db2.gz ZMBMGXBYXBMMIZ-LRDDRELGSA-N 0 3 346.452 2.638 20 10 EFCDHN COc1cc(OC)cc([C@H](O)C[NH2+][C@H]2CCc3cccc([O-])c32)c1 ZINC000297877906 522883139 /nfs/dbraw/zinc/88/31/39/522883139.db2.gz UXMFDMFTYIDQNY-FUHWJXTLSA-N 0 3 329.396 2.720 20 10 EFCDHN CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H](N)CC(C)C ZINC000162526378 528764677 /nfs/dbraw/zinc/76/46/77/528764677.db2.gz ZLKSZMOLGBUQHX-ZDUSSCGKSA-N 0 3 343.265 2.877 20 10 EFCDHN CCNC(=O)[C@H](C)[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-] ZINC000275369437 535406510 /nfs/dbraw/zinc/40/65/10/535406510.db2.gz VKGLFANPVIKADK-ZJUUUORDSA-N 0 3 329.238 2.638 20 10 EFCDHN CCOc1cccc(C[NH2+]Cc2ccc(Cn3cncn3)cc2)c1[O-] ZINC000263692396 535459960 /nfs/dbraw/zinc/45/99/60/535459960.db2.gz PCHVXZRCCWZREI-UHFFFAOYSA-N 0 3 338.411 2.721 20 10 EFCDHN CCOc1cccc(CNCc2ccc(Cn3cncn3)cc2)c1O ZINC000263692396 535459965 /nfs/dbraw/zinc/45/99/65/535459965.db2.gz PCHVXZRCCWZREI-UHFFFAOYSA-N 0 3 338.411 2.721 20 10 EFCDHN COc1ccc(N2CCC(N[C@H](CCO)c3ccco3)CC2)cc1 ZINC000376882089 536670607 /nfs/dbraw/zinc/67/06/07/536670607.db2.gz NDARXLQVSWNXSX-GOSISDBHSA-N 0 3 330.428 2.970 20 10 EFCDHN COc1ccc(N2CCC(NCc3cccc(C(N)=O)c3)CC2)cc1 ZINC000237262261 536670882 /nfs/dbraw/zinc/67/08/82/536670882.db2.gz SEOHNUGAOLDQKK-UHFFFAOYSA-N 0 3 339.439 2.553 20 10 EFCDHN COC1CCN(c2ccc(CN(C)CCc3cnccn3)cc2)CC1 ZINC000296314078 536756663 /nfs/dbraw/zinc/75/66/63/536756663.db2.gz NVRTXORLNPGQTH-UHFFFAOYSA-N 0 3 340.471 2.766 20 10 EFCDHN C[C@H](NCc1cc2c(cc1O)OCO2)c1ccc([S@@](C)=O)cc1 ZINC000270072305 545630847 /nfs/dbraw/zinc/63/08/47/545630847.db2.gz IDYLCTOKMKSJQC-BSNNYGBQSA-N 0 3 333.409 2.709 20 10 EFCDHN CN(Cc1ccc(N2CCOCC2)cc1)Cc1ccnc(N(C)C)c1 ZINC000753997439 575373146 /nfs/dbraw/zinc/37/31/46/575373146.db2.gz DBMGVAHDIMPPKN-UHFFFAOYSA-N 0 3 340.471 2.616 20 10 EFCDHN Cc1cc(N(C)C)ccc1CNC(=O)N(C)[C@@H]1CCN(C)C[C@H]1C ZINC000754375997 575427108 /nfs/dbraw/zinc/42/71/08/575427108.db2.gz QCNJUTGUNMOCKG-CRAIPNDOSA-N 0 3 332.492 2.543 20 10 EFCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CCCN2C(=O)NC3(CCCC3)C2=O)c1 ZINC000756360063 575722970 /nfs/dbraw/zinc/72/29/70/575722970.db2.gz FOAHJYMGXPSJFE-CQSZACIVSA-N 0 3 345.443 2.606 20 10 EFCDHN C[C@@H]1C[C@H]([NH2+]CCc2nnc3ccccn32)c2c1c(F)ccc2[O-] ZINC000756365167 575723993 /nfs/dbraw/zinc/72/39/93/575723993.db2.gz XHQJYCOFBVUGNV-YPMHNXCESA-N 0 3 326.375 2.955 20 10 EFCDHN C[C@H]([NH2+]CC(C)(C)N1CCN(C)CC1)c1cc2c(cc1[O-])CCCC2 ZINC000756399124 575730685 /nfs/dbraw/zinc/73/06/85/575730685.db2.gz MLTKFNFJRXPTPL-INIZCTEOSA-N 0 3 345.531 2.948 20 10 EFCDHN C[C@H]([NH2+]CC(C)(C)N1CCN(C)CC1)c1cc(Cl)ccc1[O-] ZINC000756399121 575730881 /nfs/dbraw/zinc/73/08/81/575730881.db2.gz MLIDQUBFNXSABH-ZDUSSCGKSA-N 0 3 325.884 2.722 20 10 EFCDHN CCN1CCN([C@H](C)C[NH2+][C@@H]2C[C@@H](C)c3c2c([O-])ccc3F)CC1 ZINC000756412931 575733850 /nfs/dbraw/zinc/73/38/50/575733850.db2.gz WKQAPNILJMEGFB-IIAWOOMASA-N 0 3 335.467 2.695 20 10 EFCDHN COCCOc1ccc(CN[C@H](C)c2cc(OC)ccc2O)cn1 ZINC000756431155 575738156 /nfs/dbraw/zinc/73/81/56/575738156.db2.gz BUCKPSCANJTKNI-CYBMUJFWSA-N 0 3 332.400 2.672 20 10 EFCDHN CNC(=O)COc1cccc(C[NH2+][C@@H](C)c2cc(C)ccc2[O-])c1 ZINC000756435131 575738945 /nfs/dbraw/zinc/73/89/45/575738945.db2.gz WNAWSFWJTVXYJQ-AWEZNQCLSA-N 0 3 328.412 2.676 20 10 EFCDHN C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3c2cnn3CCO)c2c1c(F)ccc2[O-] ZINC000756459905 575742658 /nfs/dbraw/zinc/74/26/58/575742658.db2.gz QBQACAXAQITHQO-KCPJHIHWSA-N 0 3 345.418 2.936 20 10 EFCDHN CCN1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])CC1 ZINC000756535856 575756578 /nfs/dbraw/zinc/75/65/78/575756578.db2.gz RXTYBHPAACSUHG-KBPBESRZSA-N 0 3 341.446 2.595 20 10 EFCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CC(C)(C)N2CCC(OC)CC2)c1 ZINC000756553793 575760767 /nfs/dbraw/zinc/76/07/67/575760767.db2.gz MXWPLZPJNDBIRD-CQSZACIVSA-N 0 3 336.476 2.941 20 10 EFCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CCOc2ccc(S(C)(=O)=O)cc2)c1 ZINC000756553728 575760906 /nfs/dbraw/zinc/76/09/06/575760906.db2.gz HXHMHPAZPIEIQU-CQSZACIVSA-N 0 3 349.452 2.834 20 10 EFCDHN C[C@H]1C[C@H]([NH2+]Cc2cccc(OCC(N)=O)c2)c2c1c(F)ccc2[O-] ZINC000756608728 575767397 /nfs/dbraw/zinc/76/73/97/575767397.db2.gz LCENNOGHRJFYTM-NHYWBVRUSA-N 0 3 344.386 2.734 20 10 EFCDHN C[C@@H]1C[C@H]([NH2+]Cc2cccc(OCC(N)=O)c2)c2c1c(F)ccc2[O-] ZINC000756608726 575767411 /nfs/dbraw/zinc/76/74/11/575767411.db2.gz LCENNOGHRJFYTM-ABAIWWIYSA-N 0 3 344.386 2.734 20 10 EFCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCN(C(=O)C3CCCC3)C2)c1 ZINC000756661168 575773983 /nfs/dbraw/zinc/77/39/83/575773983.db2.gz YYYNYRYYRHHBJI-ZFWWWQNUSA-N 0 3 332.444 2.843 20 10 EFCDHN C[C@@H]1C[C@@H]([NH2+]C[C@@H]2COC3(CCOCC3)O2)c2c1c(F)ccc2[O-] ZINC000756863713 575794698 /nfs/dbraw/zinc/79/46/98/575794698.db2.gz KIHNTOYRHKVOBV-YRGRVCCFSA-N 0 3 337.391 2.591 20 10 EFCDHN Cc1cc(N(C)C)ccc1CNC(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000758502152 575871042 /nfs/dbraw/zinc/87/10/42/575871042.db2.gz JTYBYDKFXBBGSN-INIZCTEOSA-N 0 3 346.519 2.933 20 10 EFCDHN COc1cccc([O-])c1C[NH2+]C[C@@]1(CO)C[C@H]1c1ccc(F)cc1 ZINC000758526586 575871624 /nfs/dbraw/zinc/87/16/24/575871624.db2.gz XTDFINZKQPOLOH-QFBILLFUSA-N 0 3 331.387 2.796 20 10 EFCDHN CC[C@@H](CN1CCCC1)NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000758727873 575876428 /nfs/dbraw/zinc/87/64/28/575876428.db2.gz AQBZOBYOIUSQMC-SFHVURJKSA-N 0 3 344.503 2.743 20 10 EFCDHN CC[C@@H](CN1CCCC1)NC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000758848709 575878657 /nfs/dbraw/zinc/87/86/57/575878657.db2.gz OOIKMACYIAQQPN-KRWDZBQOSA-N 0 3 332.492 2.768 20 10 EFCDHN CC(C)N1CCCN(C(=O)NCCCSc2nccs2)CC1 ZINC000759590309 575905372 /nfs/dbraw/zinc/90/53/72/575905372.db2.gz IVVOCUHSYHCKEZ-UHFFFAOYSA-N 0 3 342.534 2.751 20 10 EFCDHN CCC1(CC)[C@H](OC)C[C@@H]1NCC(=O)NCc1ccc(N(C)C)cc1 ZINC000759601536 575907534 /nfs/dbraw/zinc/90/75/34/575907534.db2.gz NWKBJMAFDPRGJP-ZWKOTPCHSA-N 0 3 347.503 2.552 20 10 EFCDHN COCCS(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2ccccc2[O-])cc1 ZINC000760019120 575972426 /nfs/dbraw/zinc/97/24/26/575972426.db2.gz TZUSVQBOBDEDIB-AWEZNQCLSA-N 0 3 349.452 2.663 20 10 EFCDHN CN(C)c1ccc(CN(CC[C@H]2CCS(=O)(=O)C2)C2CC2)cc1 ZINC000760816510 576077088 /nfs/dbraw/zinc/07/70/88/576077088.db2.gz GODQGKCLNLJMBP-INIZCTEOSA-N 0 3 336.501 2.542 20 10 EFCDHN COc1cc(Cl)cc(CNCc2ccc3c(c2)C(=O)NCC3)c1O ZINC000761213523 576130477 /nfs/dbraw/zinc/13/04/77/576130477.db2.gz AKGAPQYZRUVTLF-UHFFFAOYSA-N 0 3 346.814 2.630 20 10 EFCDHN COc1cc(Cl)cc(C[NH2+]CCCN2CCCO[C@@H](C)C2)c1[O-] ZINC000763661166 576385050 /nfs/dbraw/zinc/38/50/50/576385050.db2.gz NNIHOEUNZZSSMX-ZDUSSCGKSA-N 0 3 342.867 2.645 20 10 EFCDHN C[C@H](NC[C@H](O)COc1cccc(F)c1)c1ccc(N(C)C)cc1 ZINC000765287994 577027749 /nfs/dbraw/zinc/02/77/49/577027749.db2.gz ITKVLLYLMVOFHM-KSSFIOAISA-N 0 3 332.419 2.982 20 10 EFCDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCc1ccccc1O ZINC000765313111 577031194 /nfs/dbraw/zinc/03/11/94/577031194.db2.gz BIFQAEXUJDZKGE-QAPCUYQASA-N 0 3 339.439 2.712 20 10 EFCDHN C[C@@H](N[C@H](C)c1ccc(N2CCOCC2)cc1)C(=O)NC1CCCC1 ZINC000765422601 577040724 /nfs/dbraw/zinc/04/07/24/577040724.db2.gz AJYJHMFGLCTADD-HZPDHXFCSA-N 0 3 345.487 2.621 20 10 EFCDHN CCc1cc(CN[C@H](C)c2ccc(N3CCOCC3)c(F)c2)n[nH]1 ZINC000766005630 577097687 /nfs/dbraw/zinc/09/76/87/577097687.db2.gz WWRAPMFKTZRZMC-CYBMUJFWSA-N 0 3 332.423 2.799 20 10 EFCDHN COCC[N@H+](C)CCCC1CCN(C(=O)c2cc([O-])cs2)CC1 ZINC000767152595 577197882 /nfs/dbraw/zinc/19/78/82/577197882.db2.gz FMXFPWIEZVIPPB-UHFFFAOYSA-N 0 3 340.489 2.664 20 10 EFCDHN COCC[N@@H+](C)CCCC1CCN(C(=O)c2cc([O-])cs2)CC1 ZINC000767152595 577197883 /nfs/dbraw/zinc/19/78/83/577197883.db2.gz FMXFPWIEZVIPPB-UHFFFAOYSA-N 0 3 340.489 2.664 20 10 EFCDHN C[C@H](C(=O)NCc1ccc2c(c1)CCCN2C)N1[C@H](C)CC[C@@H]1C ZINC000725893717 577273587 /nfs/dbraw/zinc/27/35/87/577273587.db2.gz SXQCGZRVFUOMFF-OWCLPIDISA-N 0 3 329.488 2.947 20 10 EFCDHN C[N@H+](CCCOc1ccc(F)cc1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768440223 577273828 /nfs/dbraw/zinc/27/38/28/577273828.db2.gz UMDQREWFRBWZMZ-SFHVURJKSA-N 0 3 347.386 2.858 20 10 EFCDHN C[N@@H+](CCCOc1ccc(F)cc1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768440223 577273829 /nfs/dbraw/zinc/27/38/29/577273829.db2.gz UMDQREWFRBWZMZ-SFHVURJKSA-N 0 3 347.386 2.858 20 10 EFCDHN [O-]c1cc2c(cc1C[N@@H+]1CCCN(c3ccccc3)CC1)[C@H](O)CO2 ZINC000768444973 577273967 /nfs/dbraw/zinc/27/39/67/577273967.db2.gz ZVGHFOWSGNYBJR-LJQANCHMSA-N 0 3 340.423 2.530 20 10 EFCDHN [O-]c1cc2c(cc1C[N@H+]1CCCN(c3ccccc3)CC1)[C@H](O)CO2 ZINC000768444973 577273968 /nfs/dbraw/zinc/27/39/68/577273968.db2.gz ZVGHFOWSGNYBJR-LJQANCHMSA-N 0 3 340.423 2.530 20 10 EFCDHN COc1cc(CN2CCC[C@H](N3CCCCC3=O)C2)c(O)cc1C ZINC000768445719 577274401 /nfs/dbraw/zinc/27/44/01/577274401.db2.gz GSIDKSGJQOLWSJ-INIZCTEOSA-N 0 3 332.444 2.686 20 10 EFCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@H](c3ccccc3F)C1)[C@@H](O)CO2 ZINC000768448538 577274729 /nfs/dbraw/zinc/27/47/29/577274729.db2.gz CLRYNIPODYJWBH-SGTLLEGYSA-N 0 3 329.371 2.947 20 10 EFCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@H](c3ccccc3F)C1)[C@@H](O)CO2 ZINC000768448538 577274731 /nfs/dbraw/zinc/27/47/31/577274731.db2.gz CLRYNIPODYJWBH-SGTLLEGYSA-N 0 3 329.371 2.947 20 10 EFCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@H](c3cccc(F)c3)C1)[C@H](O)CO2 ZINC000768452704 577275098 /nfs/dbraw/zinc/27/50/98/577275098.db2.gz QVDBSFMPELSEEE-FZKQIMNGSA-N 0 3 329.371 2.947 20 10 EFCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@@H](c3cccc(F)c3)C1)[C@H](O)CO2 ZINC000768452704 577275099 /nfs/dbraw/zinc/27/50/99/577275099.db2.gz QVDBSFMPELSEEE-FZKQIMNGSA-N 0 3 329.371 2.947 20 10 EFCDHN [O-]c1cc2c(cc1C[N@@H+]1CCCO[C@@H](c3ccccc3)C1)[C@@H](O)CO2 ZINC000768453433 577275287 /nfs/dbraw/zinc/27/52/87/577275287.db2.gz XHJQZURMYMBWCM-AZUAARDMSA-N 0 3 341.407 2.782 20 10 EFCDHN [O-]c1cc2c(cc1C[N@H+]1CCCO[C@@H](c3ccccc3)C1)[C@@H](O)CO2 ZINC000768453433 577275290 /nfs/dbraw/zinc/27/52/90/577275290.db2.gz XHJQZURMYMBWCM-AZUAARDMSA-N 0 3 341.407 2.782 20 10 EFCDHN CCO[C@@H]1C[C@@H]([N@H+](C)Cc2cc3c(cc2[O-])OC[C@H]3O)C12CCC2 ZINC000768461288 577275769 /nfs/dbraw/zinc/27/57/69/577275769.db2.gz ACLQZKFJCBQSOP-KBAYOESNSA-N 0 3 333.428 2.598 20 10 EFCDHN CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2cc3c(cc2[O-])OC[C@H]3O)C12CCC2 ZINC000768461288 577275771 /nfs/dbraw/zinc/27/57/71/577275771.db2.gz ACLQZKFJCBQSOP-KBAYOESNSA-N 0 3 333.428 2.598 20 10 EFCDHN CCO[C@@H]1C[C@H]([N@H+](C)Cc2cc3c(cc2[O-])OC[C@@H]3O)C12CCC2 ZINC000768461289 577275794 /nfs/dbraw/zinc/27/57/94/577275794.db2.gz ACLQZKFJCBQSOP-RYQLBKOJSA-N 0 3 333.428 2.598 20 10 EFCDHN CCO[C@@H]1C[C@H]([N@@H+](C)Cc2cc3c(cc2[O-])OC[C@@H]3O)C12CCC2 ZINC000768461289 577275795 /nfs/dbraw/zinc/27/57/95/577275795.db2.gz ACLQZKFJCBQSOP-RYQLBKOJSA-N 0 3 333.428 2.598 20 10 EFCDHN CCOc1cccc(N2CCN(Cc3cc(C)ccc3O)CC2)n1 ZINC000768892883 577314799 /nfs/dbraw/zinc/31/47/99/577314799.db2.gz NSAHYUBDVRBMOJ-UHFFFAOYSA-N 0 3 327.428 2.817 20 10 EFCDHN C[C@@H]1CN(C[C@@H]2CCCN2Cc2ccc(N(C)C)c(F)c2)C[C@H](C)O1 ZINC000769108125 577334758 /nfs/dbraw/zinc/33/47/58/577334758.db2.gz LMACCHNPNDYWFH-JZXOWHBKSA-N 0 3 349.494 2.965 20 10 EFCDHN CCOc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)C(C)C)C2)c([O-])c1 ZINC000769206472 577344473 /nfs/dbraw/zinc/34/44/73/577344473.db2.gz LIOZEPZUWDMLDF-OAHLLOKOSA-N 0 3 334.460 2.775 20 10 EFCDHN CCOc1ccc(C[N@H+]2CCC[C@H](CNC(=O)C(C)C)C2)c([O-])c1 ZINC000769206472 577344474 /nfs/dbraw/zinc/34/44/74/577344474.db2.gz LIOZEPZUWDMLDF-OAHLLOKOSA-N 0 3 334.460 2.775 20 10 EFCDHN O=[N+]([O-])c1cc(CN(CCCO)C2CC2)ccc1N1CCCCC1 ZINC000769404807 577359937 /nfs/dbraw/zinc/35/99/37/577359937.db2.gz QFBAMWNREKXKLB-UHFFFAOYSA-N 0 3 333.432 2.932 20 10 EFCDHN CCOc1ccc(C[NH+]2CCC(N(C)CC(F)F)CC2)c([O-])c1 ZINC000769508005 577368216 /nfs/dbraw/zinc/36/82/16/577368216.db2.gz BYLUKDOXWPUVSP-UHFFFAOYSA-N 0 3 328.403 2.952 20 10 EFCDHN COC(=O)c1ccc(N2CC[N@H+](Cc3ccccc3[O-])[C@H](C)C2)cc1 ZINC000770510182 581104634 /nfs/dbraw/zinc/10/46/34/581104634.db2.gz LMVUNDVJMBPOED-OAHLLOKOSA-N 0 3 340.423 2.890 20 10 EFCDHN COC(=O)c1ccc(N2CC[N@@H+](Cc3ccccc3[O-])[C@H](C)C2)cc1 ZINC000770510182 581104635 /nfs/dbraw/zinc/10/46/35/581104635.db2.gz LMVUNDVJMBPOED-OAHLLOKOSA-N 0 3 340.423 2.890 20 10 EFCDHN [O-]c1cc2c(cc1C[NH+]1CCC(Cc3cccnc3)CC1)[C@@H](O)CO2 ZINC000770663771 581122825 /nfs/dbraw/zinc/12/28/25/581122825.db2.gz DXDMNAHCXTUYQI-IBGZPJMESA-N 0 3 340.423 2.668 20 10 EFCDHN C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)[C@H](c1ccccc1)N(C)C ZINC000771512101 581219634 /nfs/dbraw/zinc/21/96/34/581219634.db2.gz XUWGCDJRCBWJIA-CATUGYQESA-N 0 3 340.423 2.919 20 10 EFCDHN C[C@H](NCc1ccc2c(c1)CCS2(=O)=O)c1ccc(N(C)C)cc1 ZINC000773040045 581389994 /nfs/dbraw/zinc/38/99/94/581389994.db2.gz INYYHDGZJUXEMS-AWEZNQCLSA-N 0 3 344.480 2.933 20 10 EFCDHN C[C@H](N[C@H](CO)CC1CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000773107566 581396820 /nfs/dbraw/zinc/39/68/20/581396820.db2.gz XPZBJEISVVCLFI-ZFWWWQNUSA-N 0 3 338.879 2.988 20 10 EFCDHN CN1CCC2(CC[NH+](Cc3cc(C(C)(C)C)cc(O)c3[O-])CC2)C1=O ZINC000773329059 581419589 /nfs/dbraw/zinc/41/95/89/581419589.db2.gz ZICNILOPUPVOAM-UHFFFAOYSA-N 0 3 346.471 2.840 20 10 EFCDHN C[C@H](NC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1)c1ccc(N(C)C)cc1 ZINC000773371710 581423924 /nfs/dbraw/zinc/42/39/24/581423924.db2.gz ULTWRLWRZUALTB-YCPHGPKFSA-N 0 3 330.476 2.738 20 10 EFCDHN C[C@@H](NC(=O)N[C@H](C)C1=CCN(C)CC1)c1ccc(N(C)C)cc1 ZINC000773434750 581430510 /nfs/dbraw/zinc/43/05/10/581430510.db2.gz BXEUHAKYMRQODR-HUUCEWRRSA-N 0 3 330.476 2.763 20 10 EFCDHN C[C@@H](NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C1=CCN(C)CC1 ZINC000773434752 581430588 /nfs/dbraw/zinc/43/05/88/581430588.db2.gz BXEUHAKYMRQODR-LSDHHAIUSA-N 0 3 330.476 2.763 20 10 EFCDHN CCN(C)c1ccc(CN2CCC(N3CCCNC3=O)CC2)cc1 ZINC000773783322 581464235 /nfs/dbraw/zinc/46/42/35/581464235.db2.gz CYAFFPGHLNAWJH-UHFFFAOYSA-N 0 3 330.476 2.522 20 10 EFCDHN CCN(C)c1ccc(CN2CCC([C@H](O)c3nccn3C)CC2)cc1 ZINC000773804952 581465176 /nfs/dbraw/zinc/46/51/76/581465176.db2.gz FGWBCLWNBWTZNG-IBGZPJMESA-N 0 3 342.487 2.822 20 10 EFCDHN C[C@H]([NH2+]CCOCCN(C)C)c1cc(Br)c(F)cc1[O-] ZINC000774383608 581490624 /nfs/dbraw/zinc/49/06/24/581490624.db2.gz ZCYRZIOXECLZOL-JTQLQIEISA-N 0 3 349.244 2.523 20 10 EFCDHN C[C@@H](NCc1ccnn1CC1CC1)c1ccc(N2CCOCC2)cc1 ZINC000850077112 1250265677 /nfs/dbraw/zinc/26/56/77/1250265677.db2.gz JQHRQNFVYZDZPR-MRXNPFEDSA-N 0 3 340.471 2.981 20 10 EFCDHN Cc1ncc(C[NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)n1C ZINC000850137156 1250309052 /nfs/dbraw/zinc/30/90/52/1250309052.db2.gz KTTHVTDFYIDJHS-INIZCTEOSA-N 0 3 348.878 2.842 20 10 EFCDHN CC(C)CN1C(=O)C[C@@]2(CCC[N@H+](Cc3cc(F)ccc3[O-])C2)C1=O ZINC001273284477 1265476045 /nfs/dbraw/zinc/47/60/45/1265476045.db2.gz ISWPPSFEFSLXLP-LJQANCHMSA-N 0 3 348.418 2.528 20 10 EFCDHN CC(C)CN1C(=O)C[C@@]2(CCC[N@@H+](Cc3cc(F)ccc3[O-])C2)C1=O ZINC001273284477 1265476049 /nfs/dbraw/zinc/47/60/49/1265476049.db2.gz ISWPPSFEFSLXLP-LJQANCHMSA-N 0 3 348.418 2.528 20 10 EFCDHN COc1ccc(CNCC2(S(C)(=O)=O)CCCCC2)cc1C ZINC000850376911 1250454496 /nfs/dbraw/zinc/45/44/96/1250454496.db2.gz NUCJAJHRSHRBCT-UHFFFAOYSA-N 0 3 325.474 2.841 20 10 EFCDHN O=[N+]([O-])c1ccc(CNCc2ccc(N3CCC(O)CC3)cc2)cc1 ZINC000850405457 1250469972 /nfs/dbraw/zinc/46/99/72/1250469972.db2.gz OHQISOQIQADTAV-UHFFFAOYSA-N 0 3 341.411 2.846 20 10 EFCDHN COc1ccc(N2C[C@H]([NH2+][C@H]3CCc4cccc([O-])c43)CC2=O)cc1 ZINC000850515730 1250519007 /nfs/dbraw/zinc/51/90/07/1250519007.db2.gz OBKNZKLHHKOTCL-PBHICJAKSA-N 0 3 338.407 2.783 20 10 EFCDHN Cc1ncncc1[C@H](C)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000850569166 1250540841 /nfs/dbraw/zinc/54/08/41/1250540841.db2.gz WEVDBXBBWLAYFC-AWEZNQCLSA-N 0 3 326.444 2.597 20 10 EFCDHN COc1ccc(N2CC[C@@H](NC(=O)[C@@H](N)CC3CCCCC3)C2)cc1 ZINC000851639608 1251162557 /nfs/dbraw/zinc/16/25/57/1251162557.db2.gz ICGBJKQQVBBADU-APWZRJJASA-N 0 3 345.487 2.688 20 10 EFCDHN COc1cccc([O-])c1C[NH2+]CCn1nc(C(F)(F)F)cc1C ZINC000922429596 1266000259 /nfs/dbraw/zinc/00/02/59/1266000259.db2.gz NHKAUJLLIYVLOM-UHFFFAOYSA-N 0 3 329.322 2.714 20 10 EFCDHN c1nn(CC2CCC2)cc1CNCc1ccc(N2CCOCC2)cc1 ZINC000921583243 1257505525 /nfs/dbraw/zinc/50/55/25/1257505525.db2.gz WBDUWXNUHXIAPC-UHFFFAOYSA-N 0 3 340.471 2.810 20 10 EFCDHN COC(C)(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(C)cc1[O-] ZINC001272766031 1257692329 /nfs/dbraw/zinc/69/23/29/1257692329.db2.gz MMRNSQCOMRLWJO-IAGOWNOFSA-N 0 3 346.471 2.691 20 10 EFCDHN COC(C)(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccc(C)cc1[O-] ZINC001272766031 1257692334 /nfs/dbraw/zinc/69/23/34/1257692334.db2.gz MMRNSQCOMRLWJO-IAGOWNOFSA-N 0 3 346.471 2.691 20 10 EFCDHN Cc1ccc(C[N@@H+]2CCCC[C@@]23CC(=O)N(CC(F)F)C3)c([O-])c1 ZINC001272766631 1257711039 /nfs/dbraw/zinc/71/10/39/1257711039.db2.gz SKUUKMPOSXHITA-SFHVURJKSA-N 0 3 338.398 2.923 20 10 EFCDHN Cc1ccc(C[N@H+]2CCCC[C@@]23CC(=O)N(CC(F)F)C3)c([O-])c1 ZINC001272766631 1257711047 /nfs/dbraw/zinc/71/10/47/1257711047.db2.gz SKUUKMPOSXHITA-SFHVURJKSA-N 0 3 338.398 2.923 20 10 EFCDHN CCCCN1C(=O)C[C@@]2(CCC[N@H+](Cc3ccc(C)cc3[O-])C2)C1=O ZINC001272767143 1257725890 /nfs/dbraw/zinc/72/58/90/1257725890.db2.gz XIJRHNOSLFSKAO-HXUWFJFHSA-N 0 3 344.455 2.842 20 10 EFCDHN CCCCN1C(=O)C[C@@]2(CCC[N@@H+](Cc3ccc(C)cc3[O-])C2)C1=O ZINC001272767143 1257725896 /nfs/dbraw/zinc/72/58/96/1257725896.db2.gz XIJRHNOSLFSKAO-HXUWFJFHSA-N 0 3 344.455 2.842 20 10 EFCDHN CCOc1cccc(CN[C@H]2CCN(C3CCCCC3)C2=O)c1O ZINC000131564160 1259351465 /nfs/dbraw/zinc/35/14/65/1259351465.db2.gz AZEGEIQOUNSJQS-INIZCTEOSA-N 0 3 332.444 2.814 20 10 EFCDHN N#Cc1ccc(CNCc2ccc(N3CCC(O)CC3)c(F)c2)cc1 ZINC000140151054 1259670167 /nfs/dbraw/zinc/67/01/67/1259670167.db2.gz OFGOWTAKRJNUCW-UHFFFAOYSA-N 0 3 339.414 2.948 20 10 EFCDHN CCOc1ccc(O)c(CN[C@H]2CCN(C3CCCCC3)C2=O)c1 ZINC000131652742 1260444856 /nfs/dbraw/zinc/44/48/56/1260444856.db2.gz YRRQRVJVIZVWMM-KRWDZBQOSA-N 0 3 332.444 2.814 20 10 EFCDHN Cc1ccc(C)c(CN2CCC[C@]23CCN(CC(F)F)C3=O)c1O ZINC001273049257 1266802561 /nfs/dbraw/zinc/80/25/61/1266802561.db2.gz RJWPPWNVDXXKLR-GOSISDBHSA-N 0 3 338.398 2.841 20 10 EFCDHN CCOc1ccc(C[NH2+]C[C@@H]2CCN2C(=O)OC(C)(C)C)c([O-])c1 ZINC000922793878 1266825878 /nfs/dbraw/zinc/82/58/78/1266825878.db2.gz IENSGHVNTIOBDW-AWEZNQCLSA-N 0 3 336.432 2.890 20 10 EFCDHN COc1ccc(N2CCC(NC(=O)CN3[C@H](C)CC[C@H]3C)CC2)cc1 ZINC000741139876 1269349225 /nfs/dbraw/zinc/34/92/25/1269349225.db2.gz HCDDIWAPZHYCGM-HZPDHXFCSA-N 0 3 345.487 2.653 20 10 EFCDHN CC(C)(C)OC(=O)N1C[C@@H]2CC[N@H+](Cc3cc(F)ccc3[O-])[C@@H]2C1 ZINC000825294432 1278495508 /nfs/dbraw/zinc/49/55/08/1278495508.db2.gz QFONMCSEZWYHNK-SWLSCSKDSA-N 0 3 336.407 2.973 20 10 EFCDHN CC(C)(C)OC(=O)N1C[C@@H]2CC[N@@H+](Cc3cc(F)ccc3[O-])[C@@H]2C1 ZINC000825294432 1278495512 /nfs/dbraw/zinc/49/55/12/1278495512.db2.gz QFONMCSEZWYHNK-SWLSCSKDSA-N 0 3 336.407 2.973 20 10 EFCDHN CC[C@H](NCc1ccc2c(c1)CCN2Cc1ccccc1)C(=O)NC ZINC000825316778 1278503908 /nfs/dbraw/zinc/50/39/08/1278503908.db2.gz SXZYLGKEJQRNSV-IBGZPJMESA-N 0 3 337.467 2.864 20 10 EFCDHN CN(C)c1ccc(CN[C@@H]2CC(=O)N([C@H]3C[C@@H]3c3ccccc3)C2)cc1 ZINC000742391839 1270020181 /nfs/dbraw/zinc/02/01/81/1270020181.db2.gz MNLVZLCSHQKIRY-NRSPTQNISA-N 0 3 349.478 2.999 20 10 EFCDHN COc1cc(C(=O)N[C@H]2CCCCN(CC=C(C)C)C2)cc(OC)n1 ZINC001034287895 1271567229 /nfs/dbraw/zinc/56/72/29/1271567229.db2.gz CPCZPGZQOFITGS-INIZCTEOSA-N 0 3 347.459 2.649 20 10 EFCDHN COc1ccc(N(C)CC(=O)NC[C@H](c2ccccc2)N(C)C)cc1 ZINC000844353167 1278922176 /nfs/dbraw/zinc/92/21/76/1278922176.db2.gz PSSZEGAFICVNDE-LJQANCHMSA-N 0 3 341.455 2.551 20 10 EFCDHN C[C@@H]1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)[C@@H]1CO ZINC000785984227 1275265680 /nfs/dbraw/zinc/26/56/80/1275265680.db2.gz JYQMQZWEHCYZJT-RDTXWAMCSA-N 0 3 333.432 2.788 20 10 EFCDHN COc1ccc(N(C)CCN(C)C[C@@H](O)c2ccc(F)cc2)cc1 ZINC000844399456 1278949202 /nfs/dbraw/zinc/94/92/02/1278949202.db2.gz JZNOEWBFSCNDLQ-LJQANCHMSA-N 0 3 332.419 2.936 20 10 EFCDHN CCOc1ccc(CNCc2ccc(S(C)(=O)=O)s2)c(O)c1 ZINC000786826278 1275533780 /nfs/dbraw/zinc/53/37/80/1275533780.db2.gz FESMHGNUFIDAIU-UHFFFAOYSA-N 0 3 341.454 2.546 20 10 EFCDHN CCOC(=O)C(=Cc1cc(C)c(C)nc1NCC1CN(C)C1)N=[N+]=[N-] ZINC001170252465 1278972417 /nfs/dbraw/zinc/97/24/17/1278972417.db2.gz MXSXJQQDWIELEA-CHHVJCJISA-N 0 3 344.419 2.886 20 10 EFCDHN CCOCc1cc(CNCc2cccn(CC)c2=O)ccc1OC ZINC000788524457 1276219860 /nfs/dbraw/zinc/21/98/60/1276219860.db2.gz ORCLASAJBYPBAJ-UHFFFAOYSA-N 0 3 330.428 2.703 20 10 EFCDHN CCN(C)C(=O)[C@H](C)[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-] ZINC000788981727 1276449388 /nfs/dbraw/zinc/44/93/88/1276449388.db2.gz GAFLIQHYVMHCNB-QWRGUYRKSA-N 0 3 343.265 2.981 20 10 EFCDHN COc1ccc(N2CC[C@@H](CNC(=O)CN3[C@H](C)CC[C@@H]3C)C2)cc1 ZINC000819583837 1276826522 /nfs/dbraw/zinc/82/65/22/1276826522.db2.gz AEHXWFAVNVZVGM-BBWFWOEESA-N 0 3 345.487 2.511 20 10 EFCDHN CC(C)(C)c1cc(O)c(O)c(CN2CC[C@@H](N3CCCC3=O)C2)c1 ZINC000790462154 1277546067 /nfs/dbraw/zinc/54/60/67/1277546067.db2.gz UZLUUVKUEABLHM-OAHLLOKOSA-N 0 3 332.444 2.592 20 10 EFCDHN COc1cc(CN2CC[C@H](N3CCCC3=O)C2)c(O)c(C(C)(C)C)c1 ZINC000790460821 1277546586 /nfs/dbraw/zinc/54/65/86/1277546586.db2.gz QFJVVYHCSCVFSN-HNNXBMFYSA-N 0 3 346.471 2.895 20 10 EFCDHN CC[C@H](CNC(=O)c1cccc(O)c1O)N1CCc2ccccc2C1 ZINC000790533752 1277638065 /nfs/dbraw/zinc/63/80/65/1277638065.db2.gz ZINXMIHYGSVZLF-MRXNPFEDSA-N 0 3 340.423 2.665 20 10 EFCDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)c2cccc(O)c2O)C1 ZINC000790570245 1277653245 /nfs/dbraw/zinc/65/32/45/1277653245.db2.gz KQBKBHKCXPBOKG-DZGCQCFKSA-N 0 3 326.396 2.663 20 10 EFCDHN COc1cc(Br)cc(C[NH2+]CCC2(O)CCC2)c1[O-] ZINC000790636949 1277691217 /nfs/dbraw/zinc/69/12/17/1277691217.db2.gz BVIAVFSZSPTDGM-UHFFFAOYSA-N 0 3 330.222 2.558 20 10 EFCDHN COc1cc(Br)cc(C[NH2+]C[C@@H](OC)C2CC2)c1[O-] ZINC000815152957 1287330606 /nfs/dbraw/zinc/33/06/06/1287330606.db2.gz BWYFBUZAKYXDGG-CYBMUJFWSA-N 0 3 330.222 2.678 20 10 EFCDHN CC[C@H]([NH2+]Cc1cc(Br)cc(OC)c1[O-])C(C)(C)O ZINC000815155808 1287334173 /nfs/dbraw/zinc/33/41/73/1287334173.db2.gz XRFOWILGMCITDL-LBPRGKRZSA-N 0 3 332.238 2.802 20 10 EFCDHN COc1cccc([O-])c1C[NH2+]Cc1cccc(N2CCOCC2)c1 ZINC000815141570 1287342964 /nfs/dbraw/zinc/34/29/64/1287342964.db2.gz BZXAWORXSZDKJM-UHFFFAOYSA-N 0 3 328.412 2.527 20 10 EFCDHN COC(=O)c1ccc(CNC[C@H]2CCN(c3ccc(OC)cc3)C2)o1 ZINC000822494564 1289014639 /nfs/dbraw/zinc/01/46/39/1289014639.db2.gz RBEJDAGIHOOYCP-CQSZACIVSA-N 0 3 344.411 2.691 20 10 EFCDHN Oc1ccc(Br)cc1CNc1ccc2c(n1)CNCC2 ZINC001171174074 1279522441 /nfs/dbraw/zinc/52/24/41/1279522441.db2.gz GKTKPEIHVZYKLF-UHFFFAOYSA-N 0 3 334.217 2.808 20 10 EFCDHN COc1ccc(O)c([C@@H](C)NCc2c(C)nc3sc(C)nn23)c1 ZINC000845971822 1279948263 /nfs/dbraw/zinc/94/82/63/1279948263.db2.gz NEQXORVEBRSYHU-SECBINFHSA-N 0 3 332.429 2.973 20 10 EFCDHN COc1ccc(O)c([C@H](C)NCc2ccc3c(c2)NC(=O)CO3)c1 ZINC000845973120 1279951152 /nfs/dbraw/zinc/95/11/52/1279951152.db2.gz XTPUNOXBUHSWMY-NSHDSACASA-N 0 3 328.368 2.583 20 10 EFCDHN COC(=O)[C@@H]1C[N@H+](Cc2cc(Cl)cc(OC)c2[O-])C[C@H]1C1CC1 ZINC000846121982 1280026245 /nfs/dbraw/zinc/02/62/45/1280026245.db2.gz FAXLKRDMNCFCBJ-UONOGXRCSA-N 0 3 339.819 2.685 20 10 EFCDHN COC(=O)[C@@H]1C[N@@H+](Cc2cc(Cl)cc(OC)c2[O-])C[C@H]1C1CC1 ZINC000846121982 1280026253 /nfs/dbraw/zinc/02/62/53/1280026253.db2.gz FAXLKRDMNCFCBJ-UONOGXRCSA-N 0 3 339.819 2.685 20 10 EFCDHN COc1cccc([C@H](C)N[C@H]2CCN(c3ccccc3F)C2=O)c1O ZINC000846150218 1280038898 /nfs/dbraw/zinc/03/88/98/1280038898.db2.gz BRRYRRITJYWADB-WFASDCNBSA-N 0 3 344.386 2.996 20 10 EFCDHN COc1cccc([C@H](C)NCc2cccc(C(=O)N(C)C)c2)c1O ZINC000846139415 1280049996 /nfs/dbraw/zinc/04/99/96/1280049996.db2.gz UJQSYNGBUUFXED-ZDUSSCGKSA-N 0 3 328.412 2.953 20 10 EFCDHN COc1cccc([C@@H](C)N[C@@H]2CCN(Cc3ccccc3)C2=O)c1O ZINC000846145386 1280052535 /nfs/dbraw/zinc/05/25/35/1280052535.db2.gz ALDPAFLIVJUUNX-RHSMWYFYSA-N 0 3 340.423 2.853 20 10 EFCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCCN2CCC(O)CC2)c1[O-] ZINC000808679827 1281840462 /nfs/dbraw/zinc/84/04/62/1281840462.db2.gz BMGTWLUVEGHHDO-CYBMUJFWSA-N 0 3 326.868 2.851 20 10 EFCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CC2(CS(C)(=O)=O)CC2)c1[O-] ZINC000808706350 1281866365 /nfs/dbraw/zinc/86/63/65/1281866365.db2.gz HWMIKLQRJAACPJ-LLVKDONJSA-N 0 3 331.865 2.829 20 10 EFCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H]2COC3(CCOCC3)O2)c1[O-] ZINC000808713076 1281868814 /nfs/dbraw/zinc/86/88/14/1281868814.db2.gz LBLBJSYDLUNERG-GXTWGEPZSA-N 0 3 341.835 2.927 20 10 EFCDHN COCCO[C@@H]1COCC[C@@H]1[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808712766 1281869636 /nfs/dbraw/zinc/86/96/36/1281869636.db2.gz BFSUSTWERLVXMT-VBNZEHGJSA-N 0 3 343.851 2.825 20 10 EFCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H](C)CN2CCOCC2)c1[O-] ZINC000808697891 1281877759 /nfs/dbraw/zinc/87/77/59/1281877759.db2.gz YGHRJZXVYKUVOE-JSGCOSHPSA-N 0 3 326.868 2.973 20 10 EFCDHN CC[C@@H]([NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-])C(=O)N1CCOCC1 ZINC000808700381 1281878980 /nfs/dbraw/zinc/87/89/80/1281878980.db2.gz FONGEBUAUPVAPS-SWLSCSKDSA-N 0 3 340.851 2.642 20 10 EFCDHN CCN(CC)c1ccc(CNCc2cc(C(=O)OC)n(C)c2)cc1 ZINC000809607081 1282315311 /nfs/dbraw/zinc/31/53/11/1282315311.db2.gz OHQSGPLJVSNUKB-UHFFFAOYSA-N 0 3 329.444 2.948 20 10 EFCDHN COC(=O)N1CCC(C[NH2+]Cc2cc(Cl)cc(OC)c2[O-])CC1 ZINC000809710562 1282421002 /nfs/dbraw/zinc/42/10/02/1282421002.db2.gz SNJPZLOYCODSPR-UHFFFAOYSA-N 0 3 342.823 2.622 20 10 EFCDHN COc1cccc(CN2CCCC[C@@H]2COC(=O)NC(C)C)c1O ZINC000809721499 1282425318 /nfs/dbraw/zinc/42/53/18/1282425318.db2.gz ZBIDPGYOLUNJOU-OAHLLOKOSA-N 0 3 336.432 2.890 20 10 EFCDHN COc1ccc(O)c(CN2CCCC[C@@H]2COC(=O)NC(C)C)c1 ZINC000809720278 1282426185 /nfs/dbraw/zinc/42/61/85/1282426185.db2.gz CSBFSLHNHKHADP-OAHLLOKOSA-N 0 3 336.432 2.890 20 10 EFCDHN C[C@@H]([NH2+]C[C@@H](O)CN1CCCC1)c1cccc(C(F)(F)F)c1[O-] ZINC000815563483 1287596475 /nfs/dbraw/zinc/59/64/75/1287596475.db2.gz DKDCZMIUJORZCX-VXGBXAGGSA-N 0 3 332.366 2.518 20 10 EFCDHN CN(C)C[C@H](O)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815577158 1287608736 /nfs/dbraw/zinc/60/87/36/1287608736.db2.gz IBBBPWTYYMGWTK-MJGOQNOKSA-N 0 3 328.456 2.578 20 10 EFCDHN COc1cc(Br)cc(C[NH2+][C@H](CO)C2CCCC2)c1[O-] ZINC000810177584 1283008043 /nfs/dbraw/zinc/00/80/43/1283008043.db2.gz AVBVIUHAOYNBFT-CYBMUJFWSA-N 0 3 344.249 2.804 20 10 EFCDHN CN1CC[C@](O)(C[NH2+][C@@H](CCc2ccccc2)c2ccccc2[O-])C1 ZINC000815616175 1287639352 /nfs/dbraw/zinc/63/93/52/1287639352.db2.gz IBWPXXLXYWLCOX-FPOVZHCZSA-N 0 3 340.467 2.722 20 10 EFCDHN CCOc1ccc(N2CCN([C@H]3CCC[C@@H](C(=O)OC)C3)CC2)cc1 ZINC001172638847 1286215378 /nfs/dbraw/zinc/21/53/78/1286215378.db2.gz ZBOPQQCXJOGIMC-AEFFLSMTSA-N 0 3 346.471 2.939 20 10 EFCDHN COC(=O)[C@H]1CCC[C@H](N2CCN(c3ccc(OC)cc3C)CC2)C1 ZINC001172638365 1286215628 /nfs/dbraw/zinc/21/56/28/1286215628.db2.gz WTNNVXHROHJPSV-IRXDYDNUSA-N 0 3 346.471 2.857 20 10 EFCDHN Cc1cc(Br)c([O-])c(CN2CC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000814178532 1286361040 /nfs/dbraw/zinc/36/10/40/1286361040.db2.gz UCKIRQLIXAWIGR-INIZCTEOSA-N 0 3 339.277 2.991 20 10 EFCDHN Cc1cc(Br)c([O-])c(CN2CC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000814178532 1286361048 /nfs/dbraw/zinc/36/10/48/1286361048.db2.gz UCKIRQLIXAWIGR-INIZCTEOSA-N 0 3 339.277 2.991 20 10 EFCDHN COc1cc(Cl)cc(CN[C@H](CC(N)=O)c2ccccc2)c1O ZINC000816652391 1288229340 /nfs/dbraw/zinc/22/93/40/1288229340.db2.gz JEJSMZDESZXHAS-CQSZACIVSA-N 0 3 334.803 2.761 20 10 EFCDHN CC[C@H]1CN(C)CCN1Cc1cc(Br)cc(OC)c1O ZINC000816660350 1288232149 /nfs/dbraw/zinc/23/21/49/1288232149.db2.gz AICLXAPHJURMDX-ZDUSSCGKSA-N 0 3 343.265 2.689 20 10 EFCDHN O=[N+]([O-])c1cc(CN2CCC[C@@H](O)CC2)ccc1N1CCCCC1 ZINC000816667086 1288235873 /nfs/dbraw/zinc/23/58/73/1288235873.db2.gz CIJNUWBTGGUDHZ-MRXNPFEDSA-N 0 3 333.432 2.932 20 10 EFCDHN CC(C)[C@@H]1CN(Cc2ccc(N3CCOCC3)c(F)c2)CCCO1 ZINC000816676207 1288241394 /nfs/dbraw/zinc/24/13/94/1288241394.db2.gz VMJXCCIQKFHCMT-IBGZPJMESA-N 0 3 336.451 2.909 20 10 EFCDHN Cc1cc(Br)cc(C[N@H+]2C[C@H](CO)C[C@H](C)C2)c1[O-] ZINC000817411979 1288590543 /nfs/dbraw/zinc/59/05/43/1288590543.db2.gz ALQVXVHUSGZNSA-CMPLNLGQSA-N 0 3 328.250 2.913 20 10 EFCDHN Cc1cc(Br)cc(C[N@@H+]2C[C@H](CO)C[C@H](C)C2)c1[O-] ZINC000817411979 1288590544 /nfs/dbraw/zinc/59/05/44/1288590544.db2.gz ALQVXVHUSGZNSA-CMPLNLGQSA-N 0 3 328.250 2.913 20 10 EFCDHN Cc1cc(Br)cc(C[N@@H+]2C[C@H](C)C[C@@H](CO)C2)c1[O-] ZINC000817411982 1288590571 /nfs/dbraw/zinc/59/05/71/1288590571.db2.gz ALQVXVHUSGZNSA-ZYHUDNBSSA-N 0 3 328.250 2.913 20 10 EFCDHN Cc1cc(Br)cc(C[N@H+]2C[C@H](C)C[C@@H](CO)C2)c1[O-] ZINC000817411982 1288590572 /nfs/dbraw/zinc/59/05/72/1288590572.db2.gz ALQVXVHUSGZNSA-ZYHUDNBSSA-N 0 3 328.250 2.913 20 10 EFCDHN C[N@@H+]1C[C@@H]2CCCN(Cc3cc(Br)ccc3[O-])[C@@H]2C1 ZINC000822520942 1289007818 /nfs/dbraw/zinc/00/78/18/1289007818.db2.gz SPAHYRZBFUNKMD-SMDDNHRTSA-N 0 3 325.250 2.681 20 10 EFCDHN C[N@H+]1C[C@@H]2CCCN(Cc3cc(Br)ccc3[O-])[C@@H]2C1 ZINC000822520942 1289007827 /nfs/dbraw/zinc/00/78/27/1289007827.db2.gz SPAHYRZBFUNKMD-SMDDNHRTSA-N 0 3 325.250 2.681 20 10 EFCDHN CC(C)n1cc([C@H](C)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)nn1 ZINC000903447922 1312694178 /nfs/dbraw/zinc/69/41/78/1312694178.db2.gz GBRPBTPPZJQVOX-KXBFYZLASA-N 0 3 344.507 2.879 20 10 EFCDHN COC(=O)c1c(CN2CCC[C@](O)(CF)CC2)c2ccccc2n1C ZINC001232403374 1312694627 /nfs/dbraw/zinc/69/46/27/1312694627.db2.gz WUTBZZYTAABBIT-LJQANCHMSA-N 0 3 348.418 2.651 20 10 EFCDHN CCCCN1CCN(Cc2c3ccccc3n(C)c2C(=O)OC)CC1 ZINC001232407519 1312695839 /nfs/dbraw/zinc/69/58/39/1312695839.db2.gz QBPFVSYQMSDEIN-UHFFFAOYSA-N 0 3 343.471 2.883 20 10 EFCDHN COC(=O)c1c(CN2CC[C@@H](OC)C[C@@H]2C)c2ccccc2n1C ZINC001232409600 1312696511 /nfs/dbraw/zinc/69/65/11/1312696511.db2.gz FTVMZFSXSQYVCU-UONOGXRCSA-N 0 3 330.428 2.964 20 10 EFCDHN COc1ccc(C[NH2+]C[C@H](C)c2ccc(S(C)(=O)=O)cc2)c([O-])c1 ZINC000824321196 1289606306 /nfs/dbraw/zinc/60/63/06/1289606306.db2.gz PUNJVTWMJOWFGL-ZDUSSCGKSA-N 0 3 349.452 2.698 20 10 EFCDHN CN(Cc1ccc(N2CCOCC2)cc1)Cc1cc(F)ccc1N ZINC001232510937 1312722489 /nfs/dbraw/zinc/72/24/89/1312722489.db2.gz NKBGYUAFKWLQFJ-UHFFFAOYSA-N 0 3 329.419 2.877 20 10 EFCDHN COc1cc(Br)cc(CN2CCC[C@@H](C)[C@H]2CO)c1O ZINC001204336378 1290174976 /nfs/dbraw/zinc/17/49/76/1290174976.db2.gz MCSXUHDHMWESIL-ZWNOBZJWSA-N 0 3 344.249 2.756 20 10 EFCDHN COc1cc(Br)cc(CN2CCC[C@H](C)[C@H]2CO)c1O ZINC001204336376 1290175022 /nfs/dbraw/zinc/17/50/22/1290175022.db2.gz MCSXUHDHMWESIL-GXFFZTMASA-N 0 3 344.249 2.756 20 10 EFCDHN COCC[C@@H](C[N@H+](C)Cc1ccccc1[O-])NC(=O)OC(C)(C)C ZINC000876615817 1290957135 /nfs/dbraw/zinc/95/71/35/1290957135.db2.gz MBENEAWBKCHYPM-HNNXBMFYSA-N 0 3 338.448 2.754 20 10 EFCDHN COCC[C@@H](C[N@@H+](C)Cc1ccccc1[O-])NC(=O)OC(C)(C)C ZINC000876615817 1290957142 /nfs/dbraw/zinc/95/71/42/1290957142.db2.gz MBENEAWBKCHYPM-HNNXBMFYSA-N 0 3 338.448 2.754 20 10 EFCDHN Cc1occc1C(=O)NC1CC[NH+](Cc2c(C)cccc2[O-])CC1 ZINC000876683746 1290979838 /nfs/dbraw/zinc/97/98/38/1290979838.db2.gz FULVMDDTTYZKHV-UHFFFAOYSA-N 0 3 328.412 2.996 20 10 EFCDHN CCS(=O)(=O)c1ccc(CNCc2c(C)cccc2O)s1 ZINC000877486074 1291245218 /nfs/dbraw/zinc/24/52/18/1291245218.db2.gz DGNSSZJDEKNHRJ-UHFFFAOYSA-N 0 3 325.455 2.846 20 10 EFCDHN COc1ccc(C[NH2+]Cc2ccccc2OCCCCO)c([O-])c1 ZINC000877493141 1291248855 /nfs/dbraw/zinc/24/88/55/1291248855.db2.gz GYTUEYBFIBKBCG-UHFFFAOYSA-N 0 3 331.412 2.842 20 10 EFCDHN COc1ccc(CNCc2ccccc2OCCCCO)c(O)c1 ZINC000877493141 1291248861 /nfs/dbraw/zinc/24/88/61/1291248861.db2.gz GYTUEYBFIBKBCG-UHFFFAOYSA-N 0 3 331.412 2.842 20 10 EFCDHN CCc1nnc(NC(=O)[C@H](C)[C@@H](C)[NH2+]Cc2c(C)cccc2[O-])s1 ZINC000877522343 1291258996 /nfs/dbraw/zinc/25/89/96/1291258996.db2.gz CYAMXXVENUOFGR-VXGBXAGGSA-N 0 3 348.472 2.867 20 10 EFCDHN COc1cc(O)c(CN2CC[C@@H](OCc3ccccn3)C2)cc1OC ZINC000877645520 1291305754 /nfs/dbraw/zinc/30/57/54/1291305754.db2.gz NXGHPFCQGNCDBI-MRXNPFEDSA-N 0 3 344.411 2.596 20 10 EFCDHN COc1ccc(O)c(CN2CCC(Oc3ccc(Cl)nn3)CC2)c1 ZINC001203680194 1291361896 /nfs/dbraw/zinc/36/18/96/1291361896.db2.gz JWCGTOWLUVLYGW-UHFFFAOYSA-N 0 3 349.818 2.888 20 10 EFCDHN Cc1cc(Br)cc(CN2CC[C@@H](F)[C@@H](O)CC2)c1O ZINC001233105969 1312855848 /nfs/dbraw/zinc/85/58/48/1312855848.db2.gz FSCBKJAZWWQZTH-OLZOCXBDSA-N 0 3 332.213 2.758 20 10 EFCDHN CCCN(C(=O)NCc1ccc(N(C)C)c(F)c1)[C@H]1CCN(C)C1 ZINC000826020414 1291482932 /nfs/dbraw/zinc/48/29/32/1291482932.db2.gz UKPHVGUABRXJLI-HNNXBMFYSA-N 0 3 336.455 2.517 20 10 EFCDHN CCOC(=O)c1c(CN2CCC3(COC3)C2)c2ccccc2n1C ZINC001233270224 1312889107 /nfs/dbraw/zinc/88/91/07/1312889107.db2.gz FUTMCFHXFDNBKJ-UHFFFAOYSA-N 0 3 328.412 2.577 20 10 EFCDHN CCOC(=O)c1c(CN2CC[C@](C)(O)[C@H](C)C2)c2ccccc2n1C ZINC001233270097 1312889483 /nfs/dbraw/zinc/88/94/83/1312889483.db2.gz ACVOHGLZIAZCOL-VLIAUNLRSA-N 0 3 344.455 2.948 20 10 EFCDHN CCOC(=O)c1c(CN2CC[C@]3(CCOC3)C2)c2ccccc2n1C ZINC001233270509 1312889914 /nfs/dbraw/zinc/88/99/14/1312889914.db2.gz PYYAKPGGBDWEFL-FQEVSTJZSA-N 0 3 342.439 2.967 20 10 EFCDHN CCOC(=O)c1c(CN2C[C@H](CO)CC[C@H]2C)c2ccccc2n1C ZINC001233270405 1312890636 /nfs/dbraw/zinc/89/06/36/1312890636.db2.gz MOUZPESULBVATD-HUUCEWRRSA-N 0 3 344.455 2.948 20 10 EFCDHN CCOC(=O)c1c(CN2CC[C@H]3OCC[C@H]3C2)c2ccccc2n1C ZINC001233272861 1312890747 /nfs/dbraw/zinc/89/07/47/1312890747.db2.gz FGNBJVRBJPVWHD-KBXCAEBGSA-N 0 3 342.439 2.966 20 10 EFCDHN CCOC(=O)c1c(CN2C[C@@H](C)N(C)[C@@H](C)C2)c2ccccc2n1C ZINC001233272763 1312890895 /nfs/dbraw/zinc/89/08/95/1312890895.db2.gz ZRTPYGZHSQZQIF-GASCZTMLSA-N 0 3 343.471 2.879 20 10 EFCDHN C[C@@H](NCc1cnc(N2CCCC2)nc1)c1ccc(N(C)C)cc1 ZINC000775361930 1292033216 /nfs/dbraw/zinc/03/32/16/1292033216.db2.gz GTOKGRZLTUZDAH-OAHLLOKOSA-N 0 3 325.460 2.994 20 10 EFCDHN COCc1ccc(CNC(=O)C[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000879648580 1292218227 /nfs/dbraw/zinc/21/82/27/1292218227.db2.gz UZRJXBZOLBKNAE-CQSZACIVSA-N 0 3 328.412 2.506 20 10 EFCDHN C[C@@H]([NH2+]C[C@H](O)COc1cccc2[nH]ccc21)c1ccccc1[O-] ZINC000879648219 1292218593 /nfs/dbraw/zinc/21/85/93/1292218593.db2.gz FISGCTKIWDESEI-KGLIPLIRSA-N 0 3 326.396 2.964 20 10 EFCDHN COc1ccc(OC)c(NC(=O)C[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000879648159 1292219010 /nfs/dbraw/zinc/21/90/10/1292219010.db2.gz AKEDGLDZJWEJSD-GFCCVEGCSA-N 0 3 330.384 2.699 20 10 EFCDHN CC[C@@H]([NH2+]CCCN1CCC(O)CC1)c1cc(Cl)ccc1[O-] ZINC000775490337 1292706953 /nfs/dbraw/zinc/70/69/53/1292706953.db2.gz WDGLMRYCHCCPGN-MRXNPFEDSA-N 0 3 326.868 2.933 20 10 EFCDHN CC(=O)c1cc(F)cc(Cn2cc(CNC3CCCCC3)nn2)c1O ZINC000880994443 1292712689 /nfs/dbraw/zinc/71/26/89/1292712689.db2.gz AVMYQCIKDLVKSI-UHFFFAOYSA-N 0 3 346.406 2.796 20 10 EFCDHN Cn1c2ccccc2n(C2CCN(Cc3ccccc3O)CC2)c1=O ZINC001203555701 1312955138 /nfs/dbraw/zinc/95/51/38/1312955138.db2.gz CMUDUPZUVWGQLF-UHFFFAOYSA-N 0 3 337.423 2.883 20 10 EFCDHN CC[C@H]([NH2+][C@@H](C)CN1CCN(C)CC1)c1cc(Cl)ccc1[O-] ZINC000775500909 1292783235 /nfs/dbraw/zinc/78/32/35/1292783235.db2.gz AUMQZYBLTOLXNL-BBRMVZONSA-N 0 3 325.884 2.722 20 10 EFCDHN CN1CC[C@@]2(C[N@H+](Cc3ccccc3[O-])C[C@@H]2c2ccccc2)C1=O ZINC001203552168 1312954030 /nfs/dbraw/zinc/95/40/30/1312954030.db2.gz CRUGQAGYCIUNMN-NQIIRXRSSA-N 0 3 336.435 2.840 20 10 EFCDHN CN1CC[C@@]2(C[N@@H+](Cc3ccccc3[O-])C[C@@H]2c2ccccc2)C1=O ZINC001203552168 1312954033 /nfs/dbraw/zinc/95/40/33/1312954033.db2.gz CRUGQAGYCIUNMN-NQIIRXRSSA-N 0 3 336.435 2.840 20 10 EFCDHN [O-]c1ccccc1C[N@@H+]1CC[C@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001203551759 1312954342 /nfs/dbraw/zinc/95/43/42/1312954342.db2.gz MRMZHBSFEOALMO-HKUYNNGSSA-N 0 3 326.396 2.600 20 10 EFCDHN [O-]c1ccccc1C[N@H+]1CC[C@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001203551759 1312954345 /nfs/dbraw/zinc/95/43/45/1312954345.db2.gz MRMZHBSFEOALMO-HKUYNNGSSA-N 0 3 326.396 2.600 20 10 EFCDHN [O-]c1ccccc1C[N@@H+]1CC[C@@H]2[C@@H](CCN2Cc2nccs2)C1 ZINC001203552241 1312954578 /nfs/dbraw/zinc/95/45/78/1312954578.db2.gz GADMBYIATGWHEB-GOEBONIOSA-N 0 3 329.469 2.945 20 10 EFCDHN [O-]c1ccccc1C[N@H+]1CC[C@@H]2[C@@H](CCN2Cc2nccs2)C1 ZINC001203552241 1312954581 /nfs/dbraw/zinc/95/45/81/1312954581.db2.gz GADMBYIATGWHEB-GOEBONIOSA-N 0 3 329.469 2.945 20 10 EFCDHN Oc1ccccc1CN1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@H]21 ZINC001203552592 1312954636 /nfs/dbraw/zinc/95/46/36/1312954636.db2.gz OOUWLCOPJGGPTI-KVSKMBFKSA-N 0 3 340.423 2.846 20 10 EFCDHN CCOC(=O)c1coc(C2CC[NH+](Cc3ccccc3[O-])CC2)n1 ZINC001203560871 1312956167 /nfs/dbraw/zinc/95/61/67/1312956167.db2.gz IMYBIGKJDFBDKE-UHFFFAOYSA-N 0 3 330.384 2.937 20 10 EFCDHN O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2[O-])C1)c1ccc(F)cc1 ZINC001203561731 1312956862 /nfs/dbraw/zinc/95/68/62/1312956862.db2.gz YKYIXHKWJDXSCP-QGZVFWFLSA-N 0 3 328.387 2.926 20 10 EFCDHN O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2[O-])C1)c1ccc(F)cc1 ZINC001203561731 1312956866 /nfs/dbraw/zinc/95/68/66/1312956866.db2.gz YKYIXHKWJDXSCP-QGZVFWFLSA-N 0 3 328.387 2.926 20 10 EFCDHN CN1CCC[C@H](NCc2ccc3c(c2)CCN3Cc2ccccc2)C1=O ZINC000796314433 1292866339 /nfs/dbraw/zinc/86/63/39/1292866339.db2.gz DPCZUZKLDZZLRK-FQEVSTJZSA-N 0 3 349.478 2.960 20 10 EFCDHN COc1cccc(CN2C[C@@H](NC(=O)OC(C)(C)C)C3(CC3)C2)c1O ZINC001203584461 1312963309 /nfs/dbraw/zinc/96/33/09/1312963309.db2.gz BGWAGNSCQTZCKE-OAHLLOKOSA-N 0 3 348.443 2.890 20 10 EFCDHN CCOc1cccc(CN2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)c1O ZINC001203604009 1312968272 /nfs/dbraw/zinc/96/82/72/1312968272.db2.gz YQZAQCYTLTZTFK-LIRRHRJNSA-N 0 3 348.443 2.890 20 10 EFCDHN COc1ccc(C[N@@H+]2CC[C@@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)c([O-])c1 ZINC001203621382 1312973026 /nfs/dbraw/zinc/97/30/26/1312973026.db2.gz CFDCHOKAXMEYQA-JKSUJKDBSA-N 0 3 348.443 2.985 20 10 EFCDHN COc1ccc(C[N@H+]2CC[C@@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)c([O-])c1 ZINC001203621382 1312973030 /nfs/dbraw/zinc/97/30/30/1312973030.db2.gz CFDCHOKAXMEYQA-JKSUJKDBSA-N 0 3 348.443 2.985 20 10 EFCDHN COc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2C[C@@H]3NC(=O)OC(C)(C)C)c([O-])c1 ZINC001203622356 1312973153 /nfs/dbraw/zinc/97/31/53/1312973153.db2.gz YYRZTEQGSTWUOQ-DZKIICNBSA-N 0 3 348.443 2.888 20 10 EFCDHN COc1ccc(C[N@H+]2C[C@@H]3C[C@H]2C[C@@H]3NC(=O)OC(C)(C)C)c([O-])c1 ZINC001203622356 1312973155 /nfs/dbraw/zinc/97/31/55/1312973155.db2.gz YYRZTEQGSTWUOQ-DZKIICNBSA-N 0 3 348.443 2.888 20 10 EFCDHN COc1ccc(C[N@@H+]2CCC[C@@]3(C[C@H](OCC4CC4)CO3)C2)c([O-])c1 ZINC001203622308 1312973286 /nfs/dbraw/zinc/97/32/86/1312973286.db2.gz XSCVJFPORQBUQO-AZUAARDMSA-N 0 3 347.455 2.951 20 10 EFCDHN COc1ccc(C[N@H+]2CCC[C@@]3(C[C@H](OCC4CC4)CO3)C2)c([O-])c1 ZINC001203622308 1312973290 /nfs/dbraw/zinc/97/32/90/1312973290.db2.gz XSCVJFPORQBUQO-AZUAARDMSA-N 0 3 347.455 2.951 20 10 EFCDHN COc1ccc(CN2CCN(CCc3cccs3)CC2)c(O)c1 ZINC001203627797 1312975415 /nfs/dbraw/zinc/97/54/15/1312975415.db2.gz PRHHOYJVETUMAU-UHFFFAOYSA-N 0 3 332.469 2.823 20 10 EFCDHN COc1ccc(C[N@@H+]2CCC[C@@H](Oc3nccc(C)n3)C2)c([O-])c1 ZINC001203635325 1312977479 /nfs/dbraw/zinc/97/74/79/1312977479.db2.gz PRGJBWZGDPDDDP-MRXNPFEDSA-N 0 3 329.400 2.543 20 10 EFCDHN COc1ccc(C[N@H+]2CCC[C@@H](Oc3nccc(C)n3)C2)c([O-])c1 ZINC001203635325 1312977482 /nfs/dbraw/zinc/97/74/82/1312977482.db2.gz PRGJBWZGDPDDDP-MRXNPFEDSA-N 0 3 329.400 2.543 20 10 EFCDHN COc1ccc(C[N@@H+]2C[C@@H](NC(=O)OC(C)(C)C)C[C@H]2C)c([O-])c1 ZINC001203635073 1312977786 /nfs/dbraw/zinc/97/77/86/1312977786.db2.gz JMICYNVGNKFSSA-OCCSQVGLSA-N 0 3 336.432 2.888 20 10 EFCDHN COc1ccc(C[N@H+]2C[C@@H](NC(=O)OC(C)(C)C)C[C@H]2C)c([O-])c1 ZINC001203635073 1312977790 /nfs/dbraw/zinc/97/77/90/1312977790.db2.gz JMICYNVGNKFSSA-OCCSQVGLSA-N 0 3 336.432 2.888 20 10 EFCDHN COc1ccc(CN2C[C@@H](NC(=O)OC(C)(C)C)C[C@H]2C)c(O)c1 ZINC001203635073 1312977794 /nfs/dbraw/zinc/97/77/94/1312977794.db2.gz JMICYNVGNKFSSA-OCCSQVGLSA-N 0 3 336.432 2.888 20 10 EFCDHN [O-]c1c(C[N@H+]2CCCC[C@@](O)(CF)C2)cccc1OC(F)(F)F ZINC001233727143 1312978749 /nfs/dbraw/zinc/97/87/49/1312978749.db2.gz JCYDTQQGNYGAAB-CQSZACIVSA-N 0 3 337.313 2.977 20 10 EFCDHN [O-]c1c(C[N@@H+]2CCCC[C@@](O)(CF)C2)cccc1OC(F)(F)F ZINC001233727143 1312978753 /nfs/dbraw/zinc/97/87/53/1312978753.db2.gz JCYDTQQGNYGAAB-CQSZACIVSA-N 0 3 337.313 2.977 20 10 EFCDHN [O-]c1c(C[N@H+]2CCC[C@@](O)(CF)CC2)cccc1OC(F)(F)F ZINC001233726257 1312978840 /nfs/dbraw/zinc/97/88/40/1312978840.db2.gz BJDMZTJJNIOTEI-AWEZNQCLSA-N 0 3 337.313 2.977 20 10 EFCDHN [O-]c1c(C[N@@H+]2CCC[C@@](O)(CF)CC2)cccc1OC(F)(F)F ZINC001233726257 1312978842 /nfs/dbraw/zinc/97/88/42/1312978842.db2.gz BJDMZTJJNIOTEI-AWEZNQCLSA-N 0 3 337.313 2.977 20 10 EFCDHN Oc1ccc(Br)cc1CN1CC(N2CCCCC2)C1 ZINC001203645859 1312979997 /nfs/dbraw/zinc/97/99/97/1312979997.db2.gz UQPZMQNSMFLZJX-UHFFFAOYSA-N 0 3 325.250 2.825 20 10 EFCDHN COc1ccc(O)c(CN2CC(CN(C)C(=O)OC(C)(C)C)C2)c1 ZINC001203670314 1312985110 /nfs/dbraw/zinc/98/51/10/1312985110.db2.gz NOJRVFLEOOHLFD-UHFFFAOYSA-N 0 3 336.432 2.700 20 10 EFCDHN C[C@@H]1C[C@@H]([NH2+]CCCCCS(C)(=O)=O)c2c1c(F)ccc2[O-] ZINC000775585764 1293224249 /nfs/dbraw/zinc/22/42/49/1293224249.db2.gz IUFCWDJZBWFJSY-DGCLKSJQSA-N 0 3 329.437 2.884 20 10 EFCDHN [O-]c1c(C[NH+]2CCC(N3CC(F)C3)CC2)cccc1OC(F)(F)F ZINC001233761517 1312986497 /nfs/dbraw/zinc/98/64/97/1312986497.db2.gz VBBJSVYDEXRRBT-UHFFFAOYSA-N 0 3 348.340 2.909 20 10 EFCDHN O=C1CC[C@@]2(CCC[N@@H+](Cc3cccc(OC(F)(F)F)c3[O-])C2)O1 ZINC001233768526 1312987502 /nfs/dbraw/zinc/98/75/02/1312987502.db2.gz SVRGHAZADAPTEC-OAHLLOKOSA-N 0 3 345.317 2.962 20 10 EFCDHN O=C1CC[C@@]2(CCC[N@H+](Cc3cccc(OC(F)(F)F)c3[O-])C2)O1 ZINC001233768526 1312987506 /nfs/dbraw/zinc/98/75/06/1312987506.db2.gz SVRGHAZADAPTEC-OAHLLOKOSA-N 0 3 345.317 2.962 20 10 EFCDHN COc1ccc(O)c(CN2CCC(Oc3cc(C)ncn3)CC2)c1 ZINC001203680655 1312989081 /nfs/dbraw/zinc/98/90/81/1312989081.db2.gz BCPITBIDOKBFNC-UHFFFAOYSA-N 0 3 329.400 2.543 20 10 EFCDHN COc1ccc(O)c(CN2CCC[C@H](Oc3nccnc3C)C2)c1 ZINC001203681371 1312989116 /nfs/dbraw/zinc/98/91/16/1312989116.db2.gz VIBCOIYITSXBGZ-INIZCTEOSA-N 0 3 329.400 2.543 20 10 EFCDHN COC(=O)[C@H]1C[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])CC12CC2 ZINC001233776074 1312989909 /nfs/dbraw/zinc/98/99/09/1312989909.db2.gz JLPLVJJEOIZYGU-LLVKDONJSA-N 0 3 345.317 2.676 20 10 EFCDHN COC(=O)[C@H]1C[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])CC12CC2 ZINC001233776074 1312989910 /nfs/dbraw/zinc/98/99/10/1312989910.db2.gz JLPLVJJEOIZYGU-LLVKDONJSA-N 0 3 345.317 2.676 20 10 EFCDHN Oc1ccc(CN2CC[C@@H]3[C@H](CCN3Cc3nccs3)C2)cc1O ZINC001203876663 1313039412 /nfs/dbraw/zinc/03/94/12/1313039412.db2.gz HBMCRYNVINRPNV-HUUCEWRRSA-N 0 3 345.468 2.651 20 10 EFCDHN CCN(Cc1ccc(O)c(O)c1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001203880466 1313039616 /nfs/dbraw/zinc/03/96/16/1313039616.db2.gz SRZCFHGQVOFASS-AWEZNQCLSA-N 0 3 336.432 2.929 20 10 EFCDHN CN(C)c1ccc(CN2CC[C@H](F)[C@](O)(C(F)(F)F)CC2)cc1 ZINC001203931924 1313049373 /nfs/dbraw/zinc/04/93/73/1313049373.db2.gz YQLIEVGOEJOGSJ-GJZGRUSLSA-N 0 3 334.357 2.980 20 10 EFCDHN CN(C)c1ccc(CN2CC[C@H](F)[C@@](O)(C(F)(F)F)CC2)cc1 ZINC001203931928 1313049603 /nfs/dbraw/zinc/04/96/03/1313049603.db2.gz YQLIEVGOEJOGSJ-LSDHHAIUSA-N 0 3 334.357 2.980 20 10 EFCDHN Cc1noc([C@H]2CC[C@@H]3[C@@H](CCN3Cc3ccc(N(C)C)cc3)O2)n1 ZINC001203931080 1313049637 /nfs/dbraw/zinc/04/96/37/1313049637.db2.gz AZPBUIIACCHEBA-KZNAEPCWSA-N 0 3 342.443 2.939 20 10 EFCDHN Cc1nccnc1O[C@H]1CCCN(Cc2ccc(N(C)C)cc2)C1 ZINC001203937601 1313051923 /nfs/dbraw/zinc/05/19/23/1313051923.db2.gz ZGMDDBCOJMOIMB-SFHVURJKSA-N 0 3 326.444 2.894 20 10 EFCDHN CCNC(=O)CO[C@H]1CCCN(Cc2ccc(N(CC)CC)cc2)C1 ZINC001203942889 1313052365 /nfs/dbraw/zinc/05/23/65/1313052365.db2.gz XHKQDHMKWXQPQJ-IBGZPJMESA-N 0 3 347.503 2.650 20 10 EFCDHN CCN(CC)c1ccc(CN2CC[C@H](Oc3cnccn3)C2)cc1 ZINC001203946812 1313052668 /nfs/dbraw/zinc/05/26/68/1313052668.db2.gz XLMXJJSFISSNMB-SFHVURJKSA-N 0 3 326.444 2.976 20 10 EFCDHN O=C1CC2(CC[NH+](Cc3ccc(O)cc3[O-])CC2)c2ccccc2N1 ZINC001204274495 1313113225 /nfs/dbraw/zinc/11/32/25/1313113225.db2.gz CGEDEHHFZGZIRB-UHFFFAOYSA-N 0 3 338.407 2.974 20 10 EFCDHN COc1ccc(CC[N@@H+](Cc2ccc(O)cc2[O-])C[C@@H](C)O)cc1 ZINC001204272798 1313113388 /nfs/dbraw/zinc/11/33/88/1313113388.db2.gz SHJMVYNUFLBPOB-CQSZACIVSA-N 0 3 331.412 2.532 20 10 EFCDHN COc1ccc(CC[N@H+](Cc2ccc(O)cc2[O-])C[C@@H](C)O)cc1 ZINC001204272798 1313113393 /nfs/dbraw/zinc/11/33/93/1313113393.db2.gz SHJMVYNUFLBPOB-CQSZACIVSA-N 0 3 331.412 2.532 20 10 EFCDHN [O-]c1cc(O)ccc1C[N@@H+]1CC[C@H]2[C@@H](CCN2Cc2nccs2)C1 ZINC001204274565 1313113546 /nfs/dbraw/zinc/11/35/46/1313113546.db2.gz PBNTUHZFEWENEF-BBRMVZONSA-N 0 3 345.468 2.651 20 10 EFCDHN [O-]c1cc(O)ccc1C[N@H+]1CC[C@H]2[C@@H](CCN2Cc2nccs2)C1 ZINC001204274565 1313113548 /nfs/dbraw/zinc/11/35/48/1313113548.db2.gz PBNTUHZFEWENEF-BBRMVZONSA-N 0 3 345.468 2.651 20 10 EFCDHN CC(C)(C)OC(=O)N[C@]1(C)CCCN(Cc2ccc(O)cc2O)C1 ZINC001204273110 1313113662 /nfs/dbraw/zinc/11/36/62/1313113662.db2.gz YSMRAVIGPJENMM-GOSISDBHSA-N 0 3 336.432 2.977 20 10 EFCDHN COc1ccc(CC[N@@H+](Cc2ccc(O)cc2[O-])C[C@H](C)O)cc1 ZINC001204272795 1313113671 /nfs/dbraw/zinc/11/36/71/1313113671.db2.gz SHJMVYNUFLBPOB-AWEZNQCLSA-N 0 3 331.412 2.532 20 10 EFCDHN COc1ccc(CC[N@H+](Cc2ccc(O)cc2[O-])C[C@H](C)O)cc1 ZINC001204272795 1313113673 /nfs/dbraw/zinc/11/36/73/1313113673.db2.gz SHJMVYNUFLBPOB-AWEZNQCLSA-N 0 3 331.412 2.532 20 10 EFCDHN CC(C)(C)OC(=O)N[C@@]1(C)CCCN(Cc2ccc(O)cc2O)C1 ZINC001204273111 1313113712 /nfs/dbraw/zinc/11/37/12/1313113712.db2.gz YSMRAVIGPJENMM-SFHVURJKSA-N 0 3 336.432 2.977 20 10 EFCDHN CC(C)(C)OC(=O)N1CC[C@@]12CC[N@H+](Cc1ccc(O)cc1[O-])C2 ZINC001204276048 1313114122 /nfs/dbraw/zinc/11/41/22/1313114122.db2.gz FCVGHIXEOOZPLV-GOSISDBHSA-N 0 3 334.416 2.683 20 10 EFCDHN CC(C)(C)OC(=O)N1CC[C@@]12CC[N@@H+](Cc1ccc(O)cc1[O-])C2 ZINC001204276048 1313114124 /nfs/dbraw/zinc/11/41/24/1313114124.db2.gz FCVGHIXEOOZPLV-GOSISDBHSA-N 0 3 334.416 2.683 20 10 EFCDHN CC(C)(C)OC(=O)N1CC2(C1)CCC[N@H+](Cc1ccc(O)cc1[O-])C2 ZINC001204275637 1313114227 /nfs/dbraw/zinc/11/42/27/1313114227.db2.gz XMPHANKQBANXSG-UHFFFAOYSA-N 0 3 348.443 2.931 20 10 EFCDHN CC(C)(C)OC(=O)N1CC2(C1)CCC[N@@H+](Cc1ccc(O)cc1[O-])C2 ZINC001204275637 1313114229 /nfs/dbraw/zinc/11/42/29/1313114229.db2.gz XMPHANKQBANXSG-UHFFFAOYSA-N 0 3 348.443 2.931 20 10 EFCDHN [O-]c1cc(O)ccc1C[N@@H+]1CCc2ncnc(-c3ccncc3)c2CC1 ZINC001204275749 1313114243 /nfs/dbraw/zinc/11/42/43/1313114243.db2.gz YUYNLAKUCMRPPQ-UHFFFAOYSA-N 0 3 348.406 2.551 20 10 EFCDHN [O-]c1cc(O)ccc1C[N@H+]1CCc2ncnc(-c3ccncc3)c2CC1 ZINC001204275749 1313114245 /nfs/dbraw/zinc/11/42/45/1313114245.db2.gz YUYNLAKUCMRPPQ-UHFFFAOYSA-N 0 3 348.406 2.551 20 10 EFCDHN CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3ccc(O)cc3[O-])CC[C@@H]21 ZINC001204276582 1313114301 /nfs/dbraw/zinc/11/43/01/1313114301.db2.gz NRLUFMQSCCJUGB-CJNGLKHVSA-N 0 3 348.443 2.929 20 10 EFCDHN CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](Cc3ccc(O)cc3[O-])CC[C@@H]21 ZINC001204276582 1313114303 /nfs/dbraw/zinc/11/43/03/1313114303.db2.gz NRLUFMQSCCJUGB-CJNGLKHVSA-N 0 3 348.443 2.929 20 10 EFCDHN CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3ccc(O)cc3[O-])CC[C@H]21 ZINC001204276583 1313114316 /nfs/dbraw/zinc/11/43/16/1313114316.db2.gz NRLUFMQSCCJUGB-CZUORRHYSA-N 0 3 348.443 2.929 20 10 EFCDHN CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](Cc3ccc(O)cc3[O-])CC[C@H]21 ZINC001204276583 1313114317 /nfs/dbraw/zinc/11/43/17/1313114317.db2.gz NRLUFMQSCCJUGB-CZUORRHYSA-N 0 3 348.443 2.929 20 10 EFCDHN CC(C)(C)OC(=O)N1CCC2(CN(Cc3ccc(O)cc3O)C2)CC1 ZINC001204277008 1313114380 /nfs/dbraw/zinc/11/43/80/1313114380.db2.gz VRCVNMJEIVJYPM-UHFFFAOYSA-N 0 3 348.443 2.931 20 10 EFCDHN CC(C)(C)OC(=O)N1C[C@H]2CC[N@H+](Cc3ccc(O)cc3[O-])C[C@@H]2C1 ZINC001204276376 1313114410 /nfs/dbraw/zinc/11/44/10/1313114410.db2.gz LBOSNRQHPZQDJP-UKRRQHHQSA-N 0 3 348.443 2.787 20 10 EFCDHN CC(C)(C)OC(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(O)cc3[O-])C[C@@H]2C1 ZINC001204276376 1313114411 /nfs/dbraw/zinc/11/44/11/1313114411.db2.gz LBOSNRQHPZQDJP-UKRRQHHQSA-N 0 3 348.443 2.787 20 10 EFCDHN COc1ccc(O[C@@H]2CCC[N@H+](Cc3ccc(O)cc3[O-])C2)nc1 ZINC001204277937 1313115167 /nfs/dbraw/zinc/11/51/67/1313115167.db2.gz PVGPMBYDPDZXBQ-MRXNPFEDSA-N 0 3 330.384 2.545 20 10 EFCDHN COc1ccc(O[C@@H]2CCC[N@@H+](Cc3ccc(O)cc3[O-])C2)nc1 ZINC001204277937 1313115170 /nfs/dbraw/zinc/11/51/70/1313115170.db2.gz PVGPMBYDPDZXBQ-MRXNPFEDSA-N 0 3 330.384 2.545 20 10 EFCDHN C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCCN1Cc1ccc(O)cc1O ZINC001204278247 1313115322 /nfs/dbraw/zinc/11/53/22/1313115322.db2.gz ZLEOYCAILGCYAO-WFASDCNBSA-N 0 3 336.432 2.975 20 10 EFCDHN COc1cc(OC2CC[NH+](Cc3ccc(O)cc3[O-])CC2)ccn1 ZINC001204278173 1313115399 /nfs/dbraw/zinc/11/53/99/1313115399.db2.gz WMMSUTAZDSYMAN-UHFFFAOYSA-N 0 3 330.384 2.545 20 10 EFCDHN CC(C)(C)OC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(O)cc2[O-])CC1 ZINC001204277829 1313115479 /nfs/dbraw/zinc/11/54/79/1313115479.db2.gz BTJFVWSEZVLCKU-CQSZACIVSA-N 0 3 336.432 2.977 20 10 EFCDHN CC(C)(C)OC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(O)cc2[O-])CC1 ZINC001204277829 1313115481 /nfs/dbraw/zinc/11/54/81/1313115481.db2.gz BTJFVWSEZVLCKU-CQSZACIVSA-N 0 3 336.432 2.977 20 10 EFCDHN CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3ccc(O)cc3[O-])C[C@@H]2C1 ZINC001204278558 1313115517 /nfs/dbraw/zinc/11/55/17/1313115517.db2.gz FRVBRWPIMGPCOM-UKRRQHHQSA-N 0 3 348.443 2.787 20 10 EFCDHN CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](Cc3ccc(O)cc3[O-])C[C@@H]2C1 ZINC001204278558 1313115519 /nfs/dbraw/zinc/11/55/19/1313115519.db2.gz FRVBRWPIMGPCOM-UKRRQHHQSA-N 0 3 348.443 2.787 20 10 EFCDHN CC(C)(C)OC(=O)NC1(C)CC[NH+](Cc2ccc(O)cc2[O-])CC1 ZINC001204278568 1313115563 /nfs/dbraw/zinc/11/55/63/1313115563.db2.gz FVUVDQUSCYYIDA-UHFFFAOYSA-N 0 3 336.432 2.977 20 10 EFCDHN C[C@@H](NCC(=O)NC(=O)Nc1ccccc1)c1ccc(N(C)C)cc1 ZINC000775835586 1294966065 /nfs/dbraw/zinc/96/60/65/1294966065.db2.gz VGLMRZGPHVAWHL-CQSZACIVSA-N 0 3 340.427 2.752 20 10 EFCDHN CN(C[C@H]1CC[N@H+](Cc2ccc(O)cc2[O-])C1)C(=O)OC(C)(C)C ZINC001204280026 1313116098 /nfs/dbraw/zinc/11/60/98/1313116098.db2.gz JQSMJIJCUFQODS-CYBMUJFWSA-N 0 3 336.432 2.787 20 10 EFCDHN CN(C[C@H]1CC[N@@H+](Cc2ccc(O)cc2[O-])C1)C(=O)OC(C)(C)C ZINC001204280026 1313116100 /nfs/dbraw/zinc/11/61/00/1313116100.db2.gz JQSMJIJCUFQODS-CYBMUJFWSA-N 0 3 336.432 2.787 20 10 EFCDHN CCC[C@H](COC)[N@H+](CCC(=O)OCC)Cc1ccc(O)cc1[O-] ZINC001204281863 1313116215 /nfs/dbraw/zinc/11/62/15/1313116215.db2.gz YAKPQMQRRHZXBS-OAHLLOKOSA-N 0 3 339.432 2.668 20 10 EFCDHN CCC[C@H](COC)[N@@H+](CCC(=O)OCC)Cc1ccc(O)cc1[O-] ZINC001204281863 1313116216 /nfs/dbraw/zinc/11/62/16/1313116216.db2.gz YAKPQMQRRHZXBS-OAHLLOKOSA-N 0 3 339.432 2.668 20 10 EFCDHN COc1cccc(CNC(=O)CN[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000775834378 1294977510 /nfs/dbraw/zinc/97/75/10/1294977510.db2.gz NECPTWRDEKJABV-OAHLLOKOSA-N 0 3 341.455 2.728 20 10 EFCDHN C[C@@H](NCC(=O)NCCOc1ccccc1)c1ccc(N(C)C)cc1 ZINC000775834120 1294979575 /nfs/dbraw/zinc/97/95/75/1294979575.db2.gz KMBDWTFPOJIFEE-MRXNPFEDSA-N 0 3 341.455 2.598 20 10 EFCDHN C[C@H](NCC(=O)NCCOc1ccccc1)c1ccc(N(C)C)cc1 ZINC000775834119 1294979681 /nfs/dbraw/zinc/97/96/81/1294979681.db2.gz KMBDWTFPOJIFEE-INIZCTEOSA-N 0 3 341.455 2.598 20 10 EFCDHN O=C1NCCCC12CCN(Cc1ccc(N3CCCC3)cc1)CC2 ZINC001204320866 1313122161 /nfs/dbraw/zinc/12/21/61/1313122161.db2.gz BPVDDYZZQBLUSY-UHFFFAOYSA-N 0 3 327.472 2.779 20 10 EFCDHN CC(C)(O)CCN1CCN(Cc2ccc(N3CCCC3)cc2)CC1 ZINC001204328788 1313123116 /nfs/dbraw/zinc/12/31/16/1313123116.db2.gz NHMGYFPOVSYOEZ-UHFFFAOYSA-N 0 3 331.504 2.565 20 10 EFCDHN c1cc(N2CCCC2)ccc1CN1C[C@@H](OCC2CC2)[C@H]2COC[C@H]21 ZINC001204326362 1313123626 /nfs/dbraw/zinc/12/36/26/1313123626.db2.gz GNWIAMMAZLNMEY-PWRODBHTSA-N 0 3 342.483 2.913 20 10 EFCDHN CC(=O)[C@H](C)N1C[C@@]2(CC1=O)CCCCN2Cc1cccc(C)c1O ZINC001273770472 1295199230 /nfs/dbraw/zinc/19/92/30/1295199230.db2.gz RSUSBBJXUZJHTR-YWZLYKJASA-N 0 3 344.455 2.635 20 10 EFCDHN COc1ccc2ccc([O-])c(C[NH+]3CCC4(CC(=O)CO4)CC3)c2c1 ZINC001234525432 1313145220 /nfs/dbraw/zinc/14/52/20/1313145220.db2.gz HMGHFTSRQPPCET-UHFFFAOYSA-N 0 3 341.407 2.878 20 10 EFCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@@H]4[C@H]3CCC(=O)N4C)c2c1 ZINC001234544158 1313152048 /nfs/dbraw/zinc/15/20/48/1313152048.db2.gz FLDKSQGCZBOCAS-QZTJIDSGSA-N 0 3 340.423 2.749 20 10 EFCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@@H]4[C@H]3CCC(=O)N4C)c2c1 ZINC001234544158 1313152050 /nfs/dbraw/zinc/15/20/50/1313152050.db2.gz FLDKSQGCZBOCAS-QZTJIDSGSA-N 0 3 340.423 2.749 20 10 EFCDHN [O-]c1ccc(F)c(F)c1C[N@@H+]1CC[C@H]2[C@@H]1CCN2Cc1ccc[nH]1 ZINC001276469557 1313152609 /nfs/dbraw/zinc/15/26/09/1313152609.db2.gz DLLUZDKWAGLZBZ-HOTGVXAUSA-N 0 3 333.382 2.847 20 10 EFCDHN [O-]c1ccc(F)c(F)c1C[N@H+]1CC[C@H]2[C@@H]1CCN2Cc1ccc[nH]1 ZINC001276469557 1313152612 /nfs/dbraw/zinc/15/26/12/1313152612.db2.gz DLLUZDKWAGLZBZ-HOTGVXAUSA-N 0 3 333.382 2.847 20 10 EFCDHN Cc1cc(F)cc(C[N@@H+]2CC[C@@]3(CCN(CC(F)F)C3=O)C2)c1[O-] ZINC001274100064 1295452479 /nfs/dbraw/zinc/45/24/79/1295452479.db2.gz UKJNGULSMSOOGC-QGZVFWFLSA-N 0 3 342.361 2.529 20 10 EFCDHN Cc1cc(F)cc(C[N@H+]2CC[C@@]3(CCN(CC(F)F)C3=O)C2)c1[O-] ZINC001274100064 1295452484 /nfs/dbraw/zinc/45/24/84/1295452484.db2.gz UKJNGULSMSOOGC-QGZVFWFLSA-N 0 3 342.361 2.529 20 10 EFCDHN Oc1ccc(F)c(F)c1CN1C[C@H]2CC[C@@H](C1)N2Cc1ccc[nH]1 ZINC001276470326 1313155710 /nfs/dbraw/zinc/15/57/10/1313155710.db2.gz MAFNORQDCGDLIO-OKILXGFUSA-N 0 3 333.382 2.847 20 10 EFCDHN CCNC(=O)[C@@H]1CCC[N@@H+]1Cc1c([O-])ccc2ccc(OC)cc21 ZINC001234569378 1313160277 /nfs/dbraw/zinc/16/02/77/1313160277.db2.gz MAIOXULELFUYDZ-KRWDZBQOSA-N 0 3 328.412 2.655 20 10 EFCDHN CCNC(=O)[C@@H]1CCC[N@H+]1Cc1c([O-])ccc2ccc(OC)cc21 ZINC001234569378 1313160281 /nfs/dbraw/zinc/16/02/81/1313160281.db2.gz MAIOXULELFUYDZ-KRWDZBQOSA-N 0 3 328.412 2.655 20 10 EFCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCC(=O)N4CCC[C@H]4C3)c2c1 ZINC001234569667 1313160492 /nfs/dbraw/zinc/16/04/92/1313160492.db2.gz QFUGESRJEJEQBD-HNNXBMFYSA-N 0 3 340.423 2.751 20 10 EFCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCC(=O)N4CCC[C@H]4C3)c2c1 ZINC001234569667 1313160494 /nfs/dbraw/zinc/16/04/94/1313160494.db2.gz QFUGESRJEJEQBD-HNNXBMFYSA-N 0 3 340.423 2.751 20 10 EFCDHN CCN1CCN(c2ccc(O[C@@H]3CCC[C@@H](C(=O)OC)C3)cc2)CC1 ZINC001234660379 1313179376 /nfs/dbraw/zinc/17/93/76/1313179376.db2.gz HFVZMJVVSDEQML-VQIMIIECSA-N 0 3 346.471 2.939 20 10 EFCDHN CCC[C@@H](Oc1ccc(N2CCN(CC)CC2)cc1)C(=O)OCC ZINC001234658129 1313179387 /nfs/dbraw/zinc/17/93/87/1313179387.db2.gz VAUJRFSBYGAWHI-GOSISDBHSA-N 0 3 334.460 2.939 20 10 EFCDHN C[C@@H](NC[C@@H](O)c1ccco1)c1ccc(N2CCOCC2)c(F)c1 ZINC000305075524 1295876226 /nfs/dbraw/zinc/87/62/26/1295876226.db2.gz NPEUEAWSAXLFOZ-CXAGYDPISA-N 0 3 334.391 2.640 20 10 EFCDHN CC[C@H](C)N1C(=O)C[C@]2(CCC[N@H+](Cc3c(C)cccc3[O-])C2)C1=O ZINC001274302161 1296056527 /nfs/dbraw/zinc/05/65/27/1296056527.db2.gz WRKAQXXILLQFFX-YWZLYKJASA-N 0 3 344.455 2.840 20 10 EFCDHN CC[C@H](C)N1C(=O)C[C@]2(CCC[N@@H+](Cc3c(C)cccc3[O-])C2)C1=O ZINC001274302161 1296056538 /nfs/dbraw/zinc/05/65/38/1296056538.db2.gz WRKAQXXILLQFFX-YWZLYKJASA-N 0 3 344.455 2.840 20 10 EFCDHN CC[C@@H](C)N1C(=O)C[C@@]2(CCC[N@H+](Cc3c(C)cccc3[O-])C2)C1=O ZINC001274302155 1296056647 /nfs/dbraw/zinc/05/66/47/1296056647.db2.gz WRKAQXXILLQFFX-FOIQADDNSA-N 0 3 344.455 2.840 20 10 EFCDHN CC[C@@H](C)N1C(=O)C[C@@]2(CCC[N@@H+](Cc3c(C)cccc3[O-])C2)C1=O ZINC001274302155 1296056660 /nfs/dbraw/zinc/05/66/60/1296056660.db2.gz WRKAQXXILLQFFX-FOIQADDNSA-N 0 3 344.455 2.840 20 10 EFCDHN C[N@H+](CCN1CCOCC1)Cc1cccc(-c2ccccc2)c1[O-] ZINC001234993168 1313218785 /nfs/dbraw/zinc/21/87/85/1313218785.db2.gz UYSSFWKCZRHCBB-UHFFFAOYSA-N 0 3 326.440 2.823 20 10 EFCDHN C[N@@H+](CCN1CCOCC1)Cc1cccc(-c2ccccc2)c1[O-] ZINC001234993168 1313218789 /nfs/dbraw/zinc/21/87/89/1313218789.db2.gz UYSSFWKCZRHCBB-UHFFFAOYSA-N 0 3 326.440 2.823 20 10 EFCDHN CCCCN1C[C@]2(CC[N@H+](Cc3ccc(CC)cc3[O-])C2)OCC1=O ZINC001274652664 1296130040 /nfs/dbraw/zinc/13/00/40/1296130040.db2.gz BZVQMSDMQGGCHV-HXUWFJFHSA-N 0 3 346.471 2.558 20 10 EFCDHN CCCCN1C[C@]2(CC[N@@H+](Cc3ccc(CC)cc3[O-])C2)OCC1=O ZINC001274652664 1296130048 /nfs/dbraw/zinc/13/00/48/1296130048.db2.gz BZVQMSDMQGGCHV-HXUWFJFHSA-N 0 3 346.471 2.558 20 10 EFCDHN C[C@@]1(CO)CC[N@H+](Cc2cccc(-c3ccccc3)c2[O-])C[C@H]1O ZINC001234997791 1313219454 /nfs/dbraw/zinc/21/94/54/1313219454.db2.gz DZNRGUNWWMFVOJ-QUCCMNQESA-N 0 3 327.424 2.624 20 10 EFCDHN C[C@@]1(CO)CC[N@@H+](Cc2cccc(-c3ccccc3)c2[O-])C[C@H]1O ZINC001234997791 1313219457 /nfs/dbraw/zinc/21/94/57/1313219457.db2.gz DZNRGUNWWMFVOJ-QUCCMNQESA-N 0 3 327.424 2.624 20 10 EFCDHN COC(=O)[C@@H]1C[N@H+](Cc2cccc(-c3ccccc3)c2[O-])CCCO1 ZINC001234998900 1313219762 /nfs/dbraw/zinc/21/97/62/1313219762.db2.gz PIBQBDLEOQSSEH-SFHVURJKSA-N 0 3 341.407 2.823 20 10 EFCDHN COC(=O)[C@@H]1C[N@@H+](Cc2cccc(-c3ccccc3)c2[O-])CCCO1 ZINC001234998900 1313219765 /nfs/dbraw/zinc/21/97/65/1313219765.db2.gz PIBQBDLEOQSSEH-SFHVURJKSA-N 0 3 341.407 2.823 20 10 EFCDHN C[C@]1(CO)CC[N@H+](Cc2cccc(-c3ccccc3)c2[O-])C[C@@H]1O ZINC001234997778 1313220084 /nfs/dbraw/zinc/22/00/84/1313220084.db2.gz DZNRGUNWWMFVOJ-AZUAARDMSA-N 0 3 327.424 2.624 20 10 EFCDHN C[C@]1(CO)CC[N@@H+](Cc2cccc(-c3ccccc3)c2[O-])C[C@@H]1O ZINC001234997778 1313220086 /nfs/dbraw/zinc/22/00/86/1313220086.db2.gz DZNRGUNWWMFVOJ-AZUAARDMSA-N 0 3 327.424 2.624 20 10 EFCDHN CC(C)NC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1[O-])CC2 ZINC001275266923 1296246486 /nfs/dbraw/zinc/24/64/86/1296246486.db2.gz GHTWVMOJZDYDEP-UHFFFAOYSA-N 0 3 331.460 2.798 20 10 EFCDHN Cc1ncsc1CN1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1[O-])C2 ZINC001275267630 1296247034 /nfs/dbraw/zinc/24/70/34/1296247034.db2.gz UOZFPSIDTLFZIE-ZBFHGGJFSA-N 0 3 329.469 2.863 20 10 EFCDHN Cc1ncsc1CN1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1[O-])C2 ZINC001275267630 1296247043 /nfs/dbraw/zinc/24/70/43/1296247043.db2.gz UOZFPSIDTLFZIE-ZBFHGGJFSA-N 0 3 329.469 2.863 20 10 EFCDHN CCn1ccnc1CN1CC2(C1)CCC[N@H+](Cc1ccccc1[O-])C2 ZINC001275267611 1296247288 /nfs/dbraw/zinc/24/72/88/1296247288.db2.gz SXVZNQHPIUQFGE-UHFFFAOYSA-N 0 3 340.471 2.707 20 10 EFCDHN CCn1ccnc1CN1CC2(C1)CCC[N@@H+](Cc1ccccc1[O-])C2 ZINC001275267611 1296247296 /nfs/dbraw/zinc/24/72/96/1296247296.db2.gz SXVZNQHPIUQFGE-UHFFFAOYSA-N 0 3 340.471 2.707 20 10 EFCDHN [O-]c1ccc(Br)cc1CN1CCCC[C@@]12CC[NH2+]C2 ZINC001235124226 1313248286 /nfs/dbraw/zinc/24/82/86/1313248286.db2.gz LAGIBPWFWSBRFA-HNNXBMFYSA-N 0 3 325.250 2.873 20 10 EFCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCCC2(CN(Cc3ccc[nH]3)C2)C1 ZINC001275908423 1296446013 /nfs/dbraw/zinc/44/60/13/1296446013.db2.gz DCIOAUMOPKZBKE-UHFFFAOYSA-N 0 3 329.419 2.957 20 10 EFCDHN [O-]c1ccc(F)cc1C[N@H+]1CCCC2(CN(Cc3ccc[nH]3)C2)C1 ZINC001275908423 1296446017 /nfs/dbraw/zinc/44/60/17/1296446017.db2.gz DCIOAUMOPKZBKE-UHFFFAOYSA-N 0 3 329.419 2.957 20 10 EFCDHN Cc1ccc(C)n1-c1ccc(CN2CC[C@@H]3OCCN[C@H]3C2)cc1 ZINC001235206287 1313263376 /nfs/dbraw/zinc/26/33/76/1313263376.db2.gz LYDRHDFCPABMPZ-PMACEKPBSA-N 0 3 325.456 2.657 20 10 EFCDHN COc1cc(Br)cc(C[NH2+][C@@H](C)[C@H]2CCOC2)c1[O-] ZINC000776219382 1297130668 /nfs/dbraw/zinc/13/06/68/1297130668.db2.gz OLJHMLICCNTEEU-UWVGGRQHSA-N 0 3 330.222 2.678 20 10 EFCDHN COc1cc([O-])c(CN2C[C@H](C)CC[C@@H]2C[NH3+])c(Br)c1 ZINC001205855801 1313366598 /nfs/dbraw/zinc/36/65/98/1313366598.db2.gz PIPPGQXOQBIFCK-GHMZBOCLSA-N 0 3 343.265 2.723 20 10 EFCDHN CC(C)(C)c1ccc(CN2C[C@H]3CN(CC4CC4)C[C@@H](C2)O3)c(O)c1 ZINC001235678822 1313373546 /nfs/dbraw/zinc/37/35/46/1313373546.db2.gz LSKMHGNLIDTYDL-KDURUIRLSA-N 0 3 344.499 2.985 20 10 EFCDHN COCCN(Cc1ccc(C(F)(F)F)cc1[O-])[C@H]1CCC[NH2+]C1 ZINC001236331665 1313471178 /nfs/dbraw/zinc/47/11/78/1313471178.db2.gz PJEDNLWLQVMJRJ-AWEZNQCLSA-N 0 3 332.366 2.611 20 10 EFCDHN Cc1cc(Br)c([O-])c(CN2CC3(C2)CC[NH+](C)CC3)c1 ZINC001236668415 1313506896 /nfs/dbraw/zinc/50/68/96/1313506896.db2.gz DFLKWGWNLASNMX-UHFFFAOYSA-N 0 3 339.277 2.991 20 10 EFCDHN C[N@@H+](Cc1cc(O)c(Br)cc1[O-])CC1CCOCC1 ZINC001236764544 1313524779 /nfs/dbraw/zinc/52/47/79/1313524779.db2.gz FVMYQUMOSFAPJL-UHFFFAOYSA-N 0 3 330.222 2.719 20 10 EFCDHN C[N@H+](Cc1cc(O)c(Br)cc1[O-])CC1CCOCC1 ZINC001236764544 1313524782 /nfs/dbraw/zinc/52/47/82/1313524782.db2.gz FVMYQUMOSFAPJL-UHFFFAOYSA-N 0 3 330.222 2.719 20 10 EFCDHN COc1cc(CN2CCC[C@@H](CO)CC2)c(O)cc1Br ZINC001236748049 1313521044 /nfs/dbraw/zinc/52/10/44/1313521044.db2.gz KHNYLHKSGWHRJX-LLVKDONJSA-N 0 3 344.249 2.758 20 10 EFCDHN COc1cc(C[N@@H+]2CCC[C@@H](CO)CC2)c([O-])cc1Br ZINC001236748049 1313521046 /nfs/dbraw/zinc/52/10/46/1313521046.db2.gz KHNYLHKSGWHRJX-LLVKDONJSA-N 0 3 344.249 2.758 20 10 EFCDHN COc1cc(C[N@H+]2CCC[C@@H](CO)CC2)c([O-])cc1Br ZINC001236748049 1313521047 /nfs/dbraw/zinc/52/10/47/1313521047.db2.gz KHNYLHKSGWHRJX-LLVKDONJSA-N 0 3 344.249 2.758 20 10 EFCDHN COc1cc(C[N@@H+]2CCC[C@H](O)[C@H](C)C2)c([O-])cc1Br ZINC001236744707 1313521352 /nfs/dbraw/zinc/52/13/52/1313521352.db2.gz BVXCVOZGGQVSLO-MFKMUULPSA-N 0 3 344.249 2.756 20 10 EFCDHN COc1cc(C[N@H+]2CCC[C@H](O)[C@H](C)C2)c([O-])cc1Br ZINC001236744707 1313521355 /nfs/dbraw/zinc/52/13/55/1313521355.db2.gz BVXCVOZGGQVSLO-MFKMUULPSA-N 0 3 344.249 2.756 20 10 EFCDHN COc1cc(CN2CCC[C@H](O)[C@H](C)C2)c(O)cc1Br ZINC001236744707 1313521357 /nfs/dbraw/zinc/52/13/57/1313521357.db2.gz BVXCVOZGGQVSLO-MFKMUULPSA-N 0 3 344.249 2.756 20 10 EFCDHN COc1cc(O)c(CN2C[C@H]3c4ccccc4C(=O)[C@H]3C2)cc1OC ZINC001236750632 1313521597 /nfs/dbraw/zinc/52/15/97/1313521597.db2.gz VCUXDXNDWGMCDT-HOTGVXAUSA-N 0 3 339.391 2.821 20 10 EFCDHN COc1cc(O)c(CN2CC[C@@](O)(C(F)(F)F)[C@H](C)C2)cc1OC ZINC001236748996 1313521992 /nfs/dbraw/zinc/52/19/92/1313521992.db2.gz DGVHDPOOJKCXGW-BMIGLBTASA-N 0 3 349.349 2.545 20 10 EFCDHN COc1cc(O)c(CN2CCN(C)[C@H](c3ccccc3)C2)cc1OC ZINC001236757091 1313523087 /nfs/dbraw/zinc/52/30/87/1313523087.db2.gz YUSLUCJEYWFBHS-KRWDZBQOSA-N 0 3 342.439 2.898 20 10 EFCDHN Oc1cc(CN2CC(N3CCCCC3)C2)c(O)cc1Br ZINC001236771377 1313526234 /nfs/dbraw/zinc/52/62/34/1313526234.db2.gz PYMCCSOOTUYYBS-UHFFFAOYSA-N 0 3 341.249 2.530 20 10 EFCDHN Oc1ccc(OCc2ccccc2)cc1CN1CC[C@@H](F)[C@H](O)C1 ZINC001236778700 1313528017 /nfs/dbraw/zinc/52/80/17/1313528017.db2.gz LXASQCHHOLEHFM-IEBWSBKVSA-N 0 3 331.387 2.876 20 10 EFCDHN CCc1ccc(C[N@@H+]2CCc3ncnc(N(C)CC)c3CC2)c([O-])c1 ZINC001236785147 1313528472 /nfs/dbraw/zinc/52/84/72/1313528472.db2.gz GBCMLRAOWDNZJJ-UHFFFAOYSA-N 0 3 340.471 2.802 20 10 EFCDHN CCc1ccc(C[N@H+]2CCc3ncnc(N(C)CC)c3CC2)c([O-])c1 ZINC001236785147 1313528475 /nfs/dbraw/zinc/52/84/75/1313528475.db2.gz GBCMLRAOWDNZJJ-UHFFFAOYSA-N 0 3 340.471 2.802 20 10 EFCDHN CCc1ccc(C[NH+]2C[C@H]3CN(Cc4nccs4)C[C@@H]3C2)c([O-])c1 ZINC001236787184 1313528856 /nfs/dbraw/zinc/52/88/56/1313528856.db2.gz JQXLJALQZNQKAC-IRXDYDNUSA-N 0 3 343.496 2.975 20 10 EFCDHN COc1cc(C)c(C[N@@H+]2C[C@@H]3C(=O)Nc4ccccc4[C@H]3C2)c([O-])c1 ZINC001236808676 1313534094 /nfs/dbraw/zinc/53/40/94/1313534094.db2.gz QWHVWKQPTODIPW-SJORKVTESA-N 0 3 338.407 2.877 20 10 EFCDHN COc1cc(C)c(C[N@H+]2C[C@@H]3C(=O)Nc4ccccc4[C@H]3C2)c([O-])c1 ZINC001236808676 1313534096 /nfs/dbraw/zinc/53/40/96/1313534096.db2.gz QWHVWKQPTODIPW-SJORKVTESA-N 0 3 338.407 2.877 20 10 EFCDHN COc1cc(C)c(C[NH+]2CCC3(CCN(C(C)C)C3=O)CC2)c([O-])c1 ZINC001236813002 1313534898 /nfs/dbraw/zinc/53/48/98/1313534898.db2.gz DPNLJPGNGNDVHY-UHFFFAOYSA-N 0 3 346.471 2.932 20 10 EFCDHN COc1cc(C)c(C[NH+]2CCC(C(=O)N3CCCC3)CC2)c([O-])c1 ZINC001236814025 1313535172 /nfs/dbraw/zinc/53/51/72/1313535172.db2.gz OCXIUFLLBRMKIM-UHFFFAOYSA-N 0 3 332.444 2.544 20 10 EFCDHN COC[C@@H]1COCCC12CC[NH+](Cc1c(C)cc(OC)cc1[O-])CC2 ZINC001236812156 1313535266 /nfs/dbraw/zinc/53/52/66/1313535266.db2.gz WUWOQUWGRDKTOE-MRXNPFEDSA-N 0 3 349.471 2.974 20 10 EFCDHN COc1cc(C)c(C[NH+]2CCC(N3CCCCC3=O)CC2)c([O-])c1 ZINC001236817669 1313535655 /nfs/dbraw/zinc/53/56/55/1313535655.db2.gz FSNAIHSPEADZFH-UHFFFAOYSA-N 0 3 332.444 2.686 20 10 EFCDHN COC(=O)CCN(Cc1ccco1)Cc1c(C)cc(OC)cc1O ZINC001236814937 1313535675 /nfs/dbraw/zinc/53/56/75/1313535675.db2.gz XRQWFNKOMBNKDF-UHFFFAOYSA-N 0 3 333.384 2.868 20 10 EFCDHN COc1cc(C)c(C[N@@H+]2CC[C@H](Oc3cccc(OC)n3)C2)c([O-])c1 ZINC001236815775 1313535684 /nfs/dbraw/zinc/53/56/84/1313535684.db2.gz ORVBJVOJFVAUFY-AWEZNQCLSA-N 0 3 344.411 2.766 20 10 EFCDHN COc1cc(C)c(C[N@H+]2CC[C@H](Oc3cccc(OC)n3)C2)c([O-])c1 ZINC001236815775 1313535687 /nfs/dbraw/zinc/53/56/87/1313535687.db2.gz ORVBJVOJFVAUFY-AWEZNQCLSA-N 0 3 344.411 2.766 20 10 EFCDHN COc1cc(C)c(C[N@@H+]2CC[C@]3(C[C@@H](OCC4CC4)CO3)C2)c([O-])c1 ZINC001236814530 1313535905 /nfs/dbraw/zinc/53/59/05/1313535905.db2.gz UBJVEUREJZZVEC-XLIONFOSSA-N 0 3 347.455 2.869 20 10 EFCDHN COc1cc(C)c(C[N@H+]2CC[C@]3(C[C@@H](OCC4CC4)CO3)C2)c([O-])c1 ZINC001236814530 1313535908 /nfs/dbraw/zinc/53/59/08/1313535908.db2.gz UBJVEUREJZZVEC-XLIONFOSSA-N 0 3 347.455 2.869 20 10 EFCDHN CCN1CC2(CC1=O)CC[NH+](Cc1c(C)cc(OC)cc1[O-])CC2 ZINC001236815048 1313536195 /nfs/dbraw/zinc/53/61/95/1313536195.db2.gz HDRIGIBSHMVCPG-UHFFFAOYSA-N 0 3 332.444 2.544 20 10 EFCDHN COc1cc(C)c(CN2CCN(c3cccc(C)n3)CC2)c(O)c1 ZINC001236818641 1313536868 /nfs/dbraw/zinc/53/68/68/1313536868.db2.gz PXTXMGTZJRNBJP-UHFFFAOYSA-N 0 3 327.428 2.735 20 10 EFCDHN [O-]c1cc2ccccc2cc1C[NH+]1CCC(N2CCOCC2)CC1 ZINC001236841220 1313540418 /nfs/dbraw/zinc/54/04/18/1313540418.db2.gz WPZSYGQFPOXVBN-UHFFFAOYSA-N 0 3 326.440 2.842 20 10 EFCDHN CCN(Cc1ccc(N2CCOCC2)cc1Cl)CC(C)(C)O ZINC001236918314 1313552289 /nfs/dbraw/zinc/55/22/89/1313552289.db2.gz FJXKPWUKNSDZGG-UHFFFAOYSA-N 0 3 326.868 2.769 20 10 EFCDHN Clc1cc(N2CCOCC2)ccc1CN1CCC[C@@]12CCOC2 ZINC001236917843 1313552741 /nfs/dbraw/zinc/55/27/41/1313552741.db2.gz BMSRGBFNXHRISK-SFHVURJKSA-N 0 3 336.863 2.932 20 10 EFCDHN Clc1cc(N2CCOCC2)ccc1CN1CC[C@@]2(CCOC2)C1 ZINC001236920943 1313553626 /nfs/dbraw/zinc/55/36/26/1313553626.db2.gz AVPODZGYRIPEAC-GOSISDBHSA-N 0 3 336.863 2.789 20 10 EFCDHN CN1CCN(c2ccc(CN3CC[C@H]4CCCO[C@@H]4C3)c(F)c2)CC1 ZINC001236935215 1313557415 /nfs/dbraw/zinc/55/74/15/1313557415.db2.gz GMOAOLGFVSNSRE-OXQOHEQNSA-N 0 3 347.478 2.578 20 10 EFCDHN COC(=O)CCN(Cc1ccncc1)Cc1cc(C)c(C)cc1O ZINC000084925986 1298878084 /nfs/dbraw/zinc/87/80/84/1298878084.db2.gz ADDXRLPEKLRAPM-UHFFFAOYSA-N 0 3 328.412 2.969 20 10 EFCDHN CC1(C)C=Cc2c(O)c(CN3CCNC[C@H]3C(F)(F)F)ccc2O1 ZINC001236982327 1313565734 /nfs/dbraw/zinc/56/57/34/1313565734.db2.gz QFEFSXQOIBDGFO-AWEZNQCLSA-N 0 3 342.361 2.913 20 10 EFCDHN CCOc1ccc(C[N@@H+]2CC[C@@]3(C[C@@H](OCC4CC4)CO3)C2)c([O-])c1 ZINC001237042485 1313574533 /nfs/dbraw/zinc/57/45/33/1313574533.db2.gz WJQHYIVPNFLLPQ-UYAOXDASSA-N 0 3 347.455 2.951 20 10 EFCDHN CCOc1ccc(C[N@H+]2CC[C@@]3(C[C@@H](OCC4CC4)CO3)C2)c([O-])c1 ZINC001237042485 1313574537 /nfs/dbraw/zinc/57/45/37/1313574537.db2.gz WJQHYIVPNFLLPQ-UYAOXDASSA-N 0 3 347.455 2.951 20 10 EFCDHN CCOc1ccc(C[N@@H+]2CCC[C@H](Oc3cnccn3)C2)c([O-])c1 ZINC001237046807 1313574861 /nfs/dbraw/zinc/57/48/61/1313574861.db2.gz GGEKWXZBAMCJDQ-INIZCTEOSA-N 0 3 329.400 2.624 20 10 EFCDHN CCOc1ccc(C[N@H+]2CCC[C@H](Oc3cnccn3)C2)c([O-])c1 ZINC001237046807 1313574865 /nfs/dbraw/zinc/57/48/65/1313574865.db2.gz GGEKWXZBAMCJDQ-INIZCTEOSA-N 0 3 329.400 2.624 20 10 EFCDHN CCOc1ccc(C[N@@H+]2CC[C@H](Oc3ncc(C)cn3)C2)c([O-])c1 ZINC001237047696 1313575084 /nfs/dbraw/zinc/57/50/84/1313575084.db2.gz NWDRWPVXIHJRPW-INIZCTEOSA-N 0 3 329.400 2.543 20 10 EFCDHN CCOc1ccc(C[N@H+]2CC[C@H](Oc3ncc(C)cn3)C2)c([O-])c1 ZINC001237047696 1313575088 /nfs/dbraw/zinc/57/50/88/1313575088.db2.gz NWDRWPVXIHJRPW-INIZCTEOSA-N 0 3 329.400 2.543 20 10 EFCDHN CCOc1ccc(C[N@@H+]2CC[C@H](Oc3ccc(OC)cn3)C2)c([O-])c1 ZINC001237048892 1313575757 /nfs/dbraw/zinc/57/57/57/1313575757.db2.gz ZNDVRYAKULGSJO-KRWDZBQOSA-N 0 3 344.411 2.848 20 10 EFCDHN CCOc1ccc(C[N@H+]2CC[C@H](Oc3ccc(OC)cn3)C2)c([O-])c1 ZINC001237048892 1313575762 /nfs/dbraw/zinc/57/57/62/1313575762.db2.gz ZNDVRYAKULGSJO-KRWDZBQOSA-N 0 3 344.411 2.848 20 10 EFCDHN CCOc1ccc(C[NH+]2CCC(Oc3cc(C)ncn3)CC2)c([O-])c1 ZINC001237048911 1313575901 /nfs/dbraw/zinc/57/59/01/1313575901.db2.gz ZUSYDQKCSASTEL-UHFFFAOYSA-N 0 3 343.427 2.933 20 10 EFCDHN CC(C)c1ccc(C[NH+]2C[C@@H]3CN(c4ncccn4)C[C@H]3C2)c([O-])c1 ZINC001237048747 1313575973 /nfs/dbraw/zinc/57/59/73/1313575973.db2.gz OUFRFWRKKSNWNX-QZTJIDSGSA-N 0 3 338.455 2.874 20 10 EFCDHN COC(=O)[C@]1(C)CC[N@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])C1 ZINC001237063809 1313580426 /nfs/dbraw/zinc/58/04/26/1313580426.db2.gz UVKSIRYYWRSSQF-OAHLLOKOSA-N 0 3 347.333 2.718 20 10 EFCDHN COC(=O)[C@]1(C)CC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])C1 ZINC001237063809 1313580428 /nfs/dbraw/zinc/58/04/28/1313580428.db2.gz UVKSIRYYWRSSQF-OAHLLOKOSA-N 0 3 347.333 2.718 20 10 EFCDHN CCOc1ccc(C[N@@H+]2CC[C@@H](Oc3nccnc3C)C2)c([O-])c1 ZINC001237048868 1313576368 /nfs/dbraw/zinc/57/63/68/1313576368.db2.gz YQWFIJZBTRATEL-MRXNPFEDSA-N 0 3 329.400 2.543 20 10 EFCDHN CCOc1ccc(C[N@H+]2CC[C@@H](Oc3nccnc3C)C2)c([O-])c1 ZINC001237048868 1313576371 /nfs/dbraw/zinc/57/63/71/1313576371.db2.gz YQWFIJZBTRATEL-MRXNPFEDSA-N 0 3 329.400 2.543 20 10 EFCDHN CCOc1ccc(C[NH+]2CCC3(CCN(C(C)=O)C3)CC2)c([O-])c1 ZINC001237050728 1313576447 /nfs/dbraw/zinc/57/64/47/1313576447.db2.gz WFFAFQAIFIVMSV-UHFFFAOYSA-N 0 3 332.444 2.625 20 10 EFCDHN CC(C)c1ccc(C[NH+]2CCC(C(=O)N3CCOCC3)CC2)c([O-])c1 ZINC001237053527 1313576566 /nfs/dbraw/zinc/57/65/66/1313576566.db2.gz MDMBGCHVVJAJLF-UHFFFAOYSA-N 0 3 346.471 2.586 20 10 EFCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@H+]1CC[C@H](O)[C@@H](F)CC1 ZINC001237052710 1313577058 /nfs/dbraw/zinc/57/70/58/1313577058.db2.gz BVQNLZYNOAOETK-STQMWFEESA-N 0 3 337.313 2.628 20 10 EFCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@@H+]1CC[C@H](O)[C@@H](F)CC1 ZINC001237052710 1313577062 /nfs/dbraw/zinc/57/70/62/1313577062.db2.gz BVQNLZYNOAOETK-STQMWFEESA-N 0 3 337.313 2.628 20 10 EFCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[NH+]1CCC2(COC2)CC1 ZINC001237051529 1313577087 /nfs/dbraw/zinc/57/70/87/1313577087.db2.gz MREUEMYTOHZMQV-UHFFFAOYSA-N 0 3 331.334 2.946 20 10 EFCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@H+]1C[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C1 ZINC001237057257 1313577876 /nfs/dbraw/zinc/57/78/76/1313577876.db2.gz ALMKEAQUBPPWTQ-UPUJQMMVSA-N 0 3 343.345 2.943 20 10 EFCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@@H+]1C[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C1 ZINC001237057257 1313577878 /nfs/dbraw/zinc/57/78/78/1313577878.db2.gz ALMKEAQUBPPWTQ-UPUJQMMVSA-N 0 3 343.345 2.943 20 10 EFCDHN CCOC(=O)[C@H]1CC[N@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])C1 ZINC001237056787 1313578246 /nfs/dbraw/zinc/57/82/46/1313578246.db2.gz OLUJGHKCJOKFNT-LBPRGKRZSA-N 0 3 347.333 2.718 20 10 EFCDHN CCOC(=O)[C@H]1CC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])C1 ZINC001237056787 1313578249 /nfs/dbraw/zinc/57/82/49/1313578249.db2.gz OLUJGHKCJOKFNT-LBPRGKRZSA-N 0 3 347.333 2.718 20 10 EFCDHN Oc1cc(OCC(F)(F)F)ccc1CN1CC(N2CCCC2)C1 ZINC001237058343 1313578961 /nfs/dbraw/zinc/57/89/61/1313578961.db2.gz YJJFYGJGVXTXGZ-UHFFFAOYSA-N 0 3 330.350 2.613 20 10 EFCDHN Oc1cccc(OC(F)(F)F)c1CN1CCCC[C@@](O)(CF)C1 ZINC001237119342 1313589657 /nfs/dbraw/zinc/58/96/57/1313589657.db2.gz FLFOFYZXTBUDQK-CQSZACIVSA-N 0 3 337.313 2.977 20 10 EFCDHN Oc1cccc(OC(F)(F)F)c1CN1CC(N2CCCCC2)C1 ZINC001237122676 1313590056 /nfs/dbraw/zinc/59/00/56/1313590056.db2.gz KEWCPWQPDXYYHP-UHFFFAOYSA-N 0 3 330.350 2.961 20 10 EFCDHN CC(=O)N1CCC([N@H+](C)Cc2c([O-])cccc2OC(F)(F)F)CC1 ZINC001237123883 1313590120 /nfs/dbraw/zinc/59/01/20/1313590120.db2.gz UJACUTCMDWEMLW-UHFFFAOYSA-N 0 3 346.349 2.734 20 10 EFCDHN CC(=O)N1CCC([N@@H+](C)Cc2c([O-])cccc2OC(F)(F)F)CC1 ZINC001237123883 1313590122 /nfs/dbraw/zinc/59/01/22/1313590122.db2.gz UJACUTCMDWEMLW-UHFFFAOYSA-N 0 3 346.349 2.734 20 10 EFCDHN CCO[C@@H]1CN(Cc2c([O-])ccc(F)c2Cl)[C@@H]2CCCO[C@H]12 ZINC001237121353 1313590691 /nfs/dbraw/zinc/59/06/91/1313590691.db2.gz DMEOUYWRBPMQPL-XPKDYRNWSA-N 0 3 329.799 2.953 20 10 EFCDHN CCO[C@@H]1C[N@H+](Cc2c([O-])ccc(F)c2Cl)[C@@H]2CCCO[C@H]12 ZINC001237121353 1313590693 /nfs/dbraw/zinc/59/06/93/1313590693.db2.gz DMEOUYWRBPMQPL-XPKDYRNWSA-N 0 3 329.799 2.953 20 10 EFCDHN CCO[C@@H]1C[N@@H+](Cc2c([O-])ccc(F)c2Cl)[C@@H]2CCCO[C@H]12 ZINC001237121353 1313590695 /nfs/dbraw/zinc/59/06/95/1313590695.db2.gz DMEOUYWRBPMQPL-XPKDYRNWSA-N 0 3 329.799 2.953 20 10 EFCDHN C[C@@H]1CCCN(Cc2ccc(N3CCS(=O)(=O)CC3)cc2)[C@@H]1C ZINC001237208057 1313605989 /nfs/dbraw/zinc/60/59/89/1313605989.db2.gz XWIMQVSMDYQOKL-HZPDHXFCSA-N 0 3 336.501 2.542 20 10 EFCDHN C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccccc1[O-] ZINC000109769843 1299338217 /nfs/dbraw/zinc/33/82/17/1299338217.db2.gz QJJHEVAPAFQQLE-UHFFFAOYSA-N 0 3 329.356 2.761 20 10 EFCDHN C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccccc1[O-] ZINC000109769843 1299338227 /nfs/dbraw/zinc/33/82/27/1299338227.db2.gz QJJHEVAPAFQQLE-UHFFFAOYSA-N 0 3 329.356 2.761 20 10 EFCDHN [O-]c1ccccc1C[N@H+](C[C@H](O)c1ccccn1)C[C@@H]1CCCO1 ZINC000851840627 1299427739 /nfs/dbraw/zinc/42/77/39/1299427739.db2.gz JABWRYFVICGVJH-LPHOPBHVSA-N 0 3 328.412 2.502 20 10 EFCDHN [O-]c1ccccc1C[N@@H+](C[C@H](O)c1ccccn1)C[C@@H]1CCCO1 ZINC000851840627 1299427740 /nfs/dbraw/zinc/42/77/40/1299427740.db2.gz JABWRYFVICGVJH-LPHOPBHVSA-N 0 3 328.412 2.502 20 10 EFCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001237486847 1313654779 /nfs/dbraw/zinc/65/47/79/1313654779.db2.gz UYJQHOQUNOBKIC-PXNSSMCTSA-N 0 3 340.423 2.908 20 10 EFCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001237486847 1313654781 /nfs/dbraw/zinc/65/47/81/1313654781.db2.gz UYJQHOQUNOBKIC-PXNSSMCTSA-N 0 3 340.423 2.908 20 10 EFCDHN Cc1cccc(O)c1CN1CCc2c(c(COCC3CC3)nn2C)C1 ZINC001237488566 1313654819 /nfs/dbraw/zinc/65/48/19/1313654819.db2.gz OAFQGNLBBMRIPF-UHFFFAOYSA-N 0 3 341.455 2.919 20 10 EFCDHN Cc1cccc([O-])c1C[NH+]1C[C@H]2CN(C(=O)c3ccccc3)C[C@@H]2C1 ZINC001237486853 1313655245 /nfs/dbraw/zinc/65/52/45/1313655245.db2.gz UYKHHFRHXVUPHF-ROUUACIJSA-N 0 3 336.435 2.905 20 10 EFCDHN Cc1cccc([O-])c1C[N@@H+]1C[C@@H](c2ccccc2)[C@@]2(CCNC2=O)C1 ZINC001237488928 1313655337 /nfs/dbraw/zinc/65/53/37/1313655337.db2.gz SJXWUNBQWCWILL-GHTZIAJQSA-N 0 3 336.435 2.806 20 10 EFCDHN Cc1cccc([O-])c1C[N@H+]1C[C@@H](c2ccccc2)[C@@]2(CCNC2=O)C1 ZINC001237488928 1313655340 /nfs/dbraw/zinc/65/53/40/1313655340.db2.gz SJXWUNBQWCWILL-GHTZIAJQSA-N 0 3 336.435 2.806 20 10 EFCDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@H](Oc2ccc(C(N)=O)cc2)C1 ZINC001237494932 1313655985 /nfs/dbraw/zinc/65/59/85/1313655985.db2.gz NCFARMVBLVYYCI-KRWDZBQOSA-N 0 3 340.423 2.843 20 10 EFCDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@H](Oc2ccc(C(N)=O)cc2)C1 ZINC001237494932 1313655987 /nfs/dbraw/zinc/65/59/87/1313655987.db2.gz NCFARMVBLVYYCI-KRWDZBQOSA-N 0 3 340.423 2.843 20 10 EFCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@]2(C[C@H](Oc3ccccn3)CO2)C1 ZINC001237489489 1313656015 /nfs/dbraw/zinc/65/60/15/1313656015.db2.gz YMFZNPCOUHYUEM-JXFKEZNVSA-N 0 3 340.423 2.908 20 10 EFCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@]2(C[C@H](Oc3ccccn3)CO2)C1 ZINC001237489489 1313656019 /nfs/dbraw/zinc/65/60/19/1313656019.db2.gz YMFZNPCOUHYUEM-JXFKEZNVSA-N 0 3 340.423 2.908 20 10 EFCDHN C[N@H+](Cc1ccccc1)[C@H](CNC(=O)c1cccc(O)c1[O-])C1CC1 ZINC000718084934 1300003397 /nfs/dbraw/zinc/00/33/97/1300003397.db2.gz LFKPDOPPCOIKSM-QGZVFWFLSA-N 0 3 340.423 2.738 20 10 EFCDHN C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)c1cccc(O)c1[O-])C1CC1 ZINC000718084934 1300003405 /nfs/dbraw/zinc/00/34/05/1300003405.db2.gz LFKPDOPPCOIKSM-QGZVFWFLSA-N 0 3 340.423 2.738 20 10 EFCDHN COc1cc(CN2CC[C@H](N3CCOC3=O)C2)c(O)c(C(C)(C)C)c1 ZINC000853540238 1300155419 /nfs/dbraw/zinc/15/54/19/1300155419.db2.gz GMVKBKRHRDQCJZ-AWEZNQCLSA-N 0 3 348.443 2.725 20 10 EFCDHN Cc1cc(CN2CCN([C@H]3CCOC3)CC2)c(O)c(C(C)(C)C)c1 ZINC000853551089 1300161924 /nfs/dbraw/zinc/16/19/24/1300161924.db2.gz SLFYKADXNNTHMM-KRWDZBQOSA-N 0 3 332.488 2.905 20 10 EFCDHN Cc1cc(CN2CCN([C@@H]3CCOC3)CC2)c(O)c(C(C)(C)C)c1 ZINC000853551090 1300162150 /nfs/dbraw/zinc/16/21/50/1300162150.db2.gz SLFYKADXNNTHMM-QGZVFWFLSA-N 0 3 332.488 2.905 20 10 EFCDHN C[C@]1(CO)C[N@H+](Cc2cc(-c3ccc(F)cc3)ccc2[O-])CC[C@H]1O ZINC001237640695 1313682863 /nfs/dbraw/zinc/68/28/63/1313682863.db2.gz DYUIQRWWSSPFEJ-WOJBJXKFSA-N 0 3 345.414 2.764 20 10 EFCDHN C[C@]1(CO)C[N@@H+](Cc2cc(-c3ccc(F)cc3)ccc2[O-])CC[C@H]1O ZINC001237640695 1313682867 /nfs/dbraw/zinc/68/28/67/1313682867.db2.gz DYUIQRWWSSPFEJ-WOJBJXKFSA-N 0 3 345.414 2.764 20 10 EFCDHN CC(=O)N[C@H]1CC[N@H+](Cc2cc(-c3ccc(F)cc3)ccc2[O-])C1 ZINC001237645232 1313683912 /nfs/dbraw/zinc/68/39/12/1313683912.db2.gz AGJYUZSAWGUAPZ-SFHVURJKSA-N 0 3 328.387 2.909 20 10 EFCDHN CC(=O)N[C@H]1CC[N@@H+](Cc2cc(-c3ccc(F)cc3)ccc2[O-])C1 ZINC001237645232 1313683916 /nfs/dbraw/zinc/68/39/16/1313683916.db2.gz AGJYUZSAWGUAPZ-SFHVURJKSA-N 0 3 328.387 2.909 20 10 EFCDHN COCCN1CCN(Cc2cc(-c3ccc(F)cc3)ccc2O)CC1 ZINC001237644686 1313683990 /nfs/dbraw/zinc/68/39/90/1313683990.db2.gz HUAZEUGZWKISRF-UHFFFAOYSA-N 0 3 344.430 2.962 20 10 EFCDHN Cc1cc([O-])c(C[N@@H+](C)C2CCN(C)CC2)cc1Br ZINC001237677821 1313689786 /nfs/dbraw/zinc/68/97/86/1313689786.db2.gz PLWGBTFBAFNRIW-UHFFFAOYSA-N 0 3 327.266 2.989 20 10 EFCDHN Cc1cc([O-])c(C[N@H+](C)C2CCN(C)CC2)cc1Br ZINC001237677821 1313689789 /nfs/dbraw/zinc/68/97/89/1313689789.db2.gz PLWGBTFBAFNRIW-UHFFFAOYSA-N 0 3 327.266 2.989 20 10 EFCDHN COc1cc(CN(C)Cc2ccc3c(c2)OCO3)c(O)c(OC)c1 ZINC001237678987 1313689832 /nfs/dbraw/zinc/68/98/32/1313689832.db2.gz RZPBERGKUABIJN-UHFFFAOYSA-N 0 3 331.368 2.770 20 10 EFCDHN COc1cc(CN2CC[C@H](Oc3cccc(C)n3)C2)c(O)c(OC)c1 ZINC001237686395 1313691446 /nfs/dbraw/zinc/69/14/46/1313691446.db2.gz YSCSPPKOAUEKKQ-HNNXBMFYSA-N 0 3 344.411 2.766 20 10 EFCDHN CC[NH+]1C[C@@H]2CN(Cc3cc(Br)c(C)cc3[O-])C[C@H]2C1 ZINC001237684430 1313691939 /nfs/dbraw/zinc/69/19/39/1313691939.db2.gz KMEXQMYIFFSVTP-ZIAGYGMSSA-N 0 3 339.277 2.847 20 10 EFCDHN COc1ccnc(O[C@H]2CCN(Cc3cc(Cl)cc(C)c3O)C2)n1 ZINC001237690666 1313692201 /nfs/dbraw/zinc/69/22/01/1313692201.db2.gz RDFHQKMXBYVUIK-AWEZNQCLSA-N 0 3 349.818 2.806 20 10 EFCDHN Cc1cc(Cl)cc(CN2CC[C@@H](Oc3ncc(F)cn3)C2)c1O ZINC001237687479 1313692433 /nfs/dbraw/zinc/69/24/33/1313692433.db2.gz DHPVSWFYUKQYBM-CQSZACIVSA-N 0 3 337.782 2.936 20 10 EFCDHN COc1cc(CN2CCCC[C@@](O)(C(F)(F)F)C2)c(O)c(OC)c1 ZINC001237668380 1313688446 /nfs/dbraw/zinc/68/84/46/1313688446.db2.gz DFJUJFXVZLVBAD-HNNXBMFYSA-N 0 3 349.349 2.689 20 10 EFCDHN COc1cc(CN2CCC(Oc3cccnc3)CC2)c(O)c(OC)c1 ZINC001237676982 1313688918 /nfs/dbraw/zinc/68/89/18/1313688918.db2.gz VMTRCCMBFPJQMC-UHFFFAOYSA-N 0 3 344.411 2.848 20 10 EFCDHN CCOC(=O)C[C@@H]1CCCN(Cc2cc(OC)cc(OC)c2O)C1 ZINC001237670695 1313689069 /nfs/dbraw/zinc/68/90/69/1313689069.db2.gz VXXTYFNVCSWJJS-ZDUSSCGKSA-N 0 3 337.416 2.575 20 10 EFCDHN COc1ccc2ccc(O)c(CN3CCO[C@@H]([C@@H]4CCCO4)C3)c2c1 ZINC000089125581 1300704874 /nfs/dbraw/zinc/70/48/74/1300704874.db2.gz KQWNCARJHMPOEV-VQTJNVASSA-N 0 3 343.423 2.934 20 10 EFCDHN C[C@@H](N[C@@H](C)C(=O)N1CCCCC1)c1ccc(N2CCOCC2)cc1 ZINC000089592567 1300836556 /nfs/dbraw/zinc/83/65/56/1300836556.db2.gz AMQDASATXYAURZ-SJORKVTESA-N 0 3 345.487 2.575 20 10 EFCDHN O=C(NCC[NH2+]Cc1ccccc1[O-])c1cccc(Br)c1 ZINC000113354596 1300962474 /nfs/dbraw/zinc/96/24/74/1300962474.db2.gz YYGVBXDJXGGVCG-UHFFFAOYSA-N 0 3 349.228 2.674 20 10 EFCDHN Cc1ccnc(O[C@H]2CC[N@H+](Cc3cc(F)c(Cl)cc3[O-])C2)n1 ZINC001237941620 1313734613 /nfs/dbraw/zinc/73/46/13/1313734613.db2.gz ZIHQKZIHBHTUGX-LBPRGKRZSA-N 0 3 337.782 2.936 20 10 EFCDHN Cc1ccnc(O[C@H]2CC[N@@H+](Cc3cc(F)c(Cl)cc3[O-])C2)n1 ZINC001237941620 1313734615 /nfs/dbraw/zinc/73/46/15/1313734615.db2.gz ZIHQKZIHBHTUGX-LBPRGKRZSA-N 0 3 337.782 2.936 20 10 EFCDHN Cc1cc(F)cc(C[NH+]2C[C@@H]3CN(C(=O)c4ccco4)C[C@H]3C2)c1[O-] ZINC001238061691 1313753396 /nfs/dbraw/zinc/75/33/96/1313753396.db2.gz QPSJYSHGFZZIID-HUUCEWRRSA-N 0 3 344.386 2.637 20 10 EFCDHN CCN(C)c1ncnc2c1CC[N@H+](Cc1cc(F)cc(C)c1[O-])CC2 ZINC001238060887 1313753591 /nfs/dbraw/zinc/75/35/91/1313753591.db2.gz KELWRNFFTFUTQR-UHFFFAOYSA-N 0 3 344.434 2.687 20 10 EFCDHN CCN(C)c1ncnc2c1CC[N@@H+](Cc1cc(F)cc(C)c1[O-])CC2 ZINC001238060887 1313753595 /nfs/dbraw/zinc/75/35/95/1313753595.db2.gz KELWRNFFTFUTQR-UHFFFAOYSA-N 0 3 344.434 2.687 20 10 EFCDHN Cc1cc(F)cc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)OC(C)(C)C)c1O ZINC001238065692 1313754553 /nfs/dbraw/zinc/75/45/53/1313754553.db2.gz YQPJLJXITZLZIV-FICVDOATSA-N 0 3 336.407 2.795 20 10 EFCDHN COC(=O)[C@@H]1CN(Cc2cc(C)cc(OC)c2O)Cc2ccccc21 ZINC000863334335 1302589036 /nfs/dbraw/zinc/58/90/36/1302589036.db2.gz ZRKYNWIAXBBUJO-QGZVFWFLSA-N 0 3 341.407 2.982 20 10 EFCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCO[C@]4(CCO[C@H]4C)C3)c2c1 ZINC000794661420 1302883778 /nfs/dbraw/zinc/88/37/78/1302883778.db2.gz HLIYIRWIEFIXCC-VBKZILBWSA-N 0 3 343.423 2.934 20 10 EFCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCO[C@]4(CCO[C@H]4C)C3)c2c1 ZINC000794661420 1302883787 /nfs/dbraw/zinc/88/37/87/1302883787.db2.gz HLIYIRWIEFIXCC-VBKZILBWSA-N 0 3 343.423 2.934 20 10 EFCDHN COc1ccc2ccc([O-])c(C[N@@H+]3C[C@H](C)O[C@]4(CCOC4)C3)c2c1 ZINC000794707373 1303016784 /nfs/dbraw/zinc/01/67/84/1303016784.db2.gz RNTVDFLFBVPERI-VBKZILBWSA-N 0 3 343.423 2.934 20 10 EFCDHN COc1ccc2ccc([O-])c(C[N@H+]3C[C@H](C)O[C@]4(CCOC4)C3)c2c1 ZINC000794707373 1303016790 /nfs/dbraw/zinc/01/67/90/1303016790.db2.gz RNTVDFLFBVPERI-VBKZILBWSA-N 0 3 343.423 2.934 20 10 EFCDHN Cn1cc2c(n1)CCC[C@@H]2NCc1ccc(N2CCOCC2)c(F)c1 ZINC000794798912 1303079270 /nfs/dbraw/zinc/07/92/70/1303079270.db2.gz ZJGDPYMJDKCGDN-KRWDZBQOSA-N 0 3 344.434 2.563 20 10 EFCDHN C[C@H]1CN(c2ccc(CNCc3ccc(=O)[nH]c3)cc2F)C[C@H](C)O1 ZINC000865418363 1303246804 /nfs/dbraw/zinc/24/68/04/1303246804.db2.gz ILIKIENEYUBYIF-KBPBESRZSA-N 0 3 345.418 2.830 20 10 EFCDHN COc1cc(Br)cc(C[NH2+]C[C@@H]2CCOC[C@@H]2C)c1[O-] ZINC000796496610 1304002044 /nfs/dbraw/zinc/00/20/44/1304002044.db2.gz BLKFQRBFFJZEQS-QWRGUYRKSA-N 0 3 344.249 2.926 20 10 EFCDHN C[C@H](NC(=O)Nc1ccc2c(c1)CNCCO2)c1ccccc1O ZINC000868166870 1304166402 /nfs/dbraw/zinc/16/64/02/1304166402.db2.gz IBSMCGKZXCOMQS-LBPRGKRZSA-N 0 3 327.384 2.757 20 10 EFCDHN CCOc1ccc(C[NH2+]CCn2cc(Br)cn2)c([O-])c1 ZINC000796514263 1304898649 /nfs/dbraw/zinc/89/86/49/1304898649.db2.gz XFGNRLFTKAPYOB-UHFFFAOYSA-N 0 3 340.221 2.540 20 10 EFCDHN C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1cc([O-])cs1 ZINC000869801336 1304976712 /nfs/dbraw/zinc/97/67/12/1304976712.db2.gz HKSJYCZHYAUFGS-UKRRQHHQSA-N 0 3 330.453 2.952 20 10 EFCDHN C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1cc([O-])cs1 ZINC000869801336 1304976715 /nfs/dbraw/zinc/97/67/15/1304976715.db2.gz HKSJYCZHYAUFGS-UKRRQHHQSA-N 0 3 330.453 2.952 20 10 EFCDHN COCOCCCN1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001209033946 1314075127 /nfs/dbraw/zinc/07/51/27/1314075127.db2.gz WRRZPSZMOQFZCW-UHFFFAOYSA-N 0 3 348.365 2.718 20 10 EFCDHN Cc1cc(CN2C[C@H]3OC[C@@H](C)[C@H]3C2)c(O)cc1Br ZINC001250134311 1315177506 /nfs/dbraw/zinc/17/75/06/1315177506.db2.gz ZFMVIUCNYNFJKU-IXPVHAAZSA-N 0 3 326.234 2.930 20 10 EFCDHN COC(=O)[C@@]1(C)CC[N@H+](Cc2cc(C)c(Br)cc2[O-])C1 ZINC001250135440 1315177690 /nfs/dbraw/zinc/17/76/90/1315177690.db2.gz AFRQKYBYBUCZNH-HNNXBMFYSA-N 0 3 342.233 2.848 20 10 EFCDHN COC(=O)[C@@]1(C)CC[N@@H+](Cc2cc(C)c(Br)cc2[O-])C1 ZINC001250135440 1315177694 /nfs/dbraw/zinc/17/76/94/1315177694.db2.gz AFRQKYBYBUCZNH-HNNXBMFYSA-N 0 3 342.233 2.848 20 10 EFCDHN CCCCN(CC(=O)N1C[C@@H](C)O[C@H](C)C1)Cc1ccccc1O ZINC000801597079 1310575559 /nfs/dbraw/zinc/57/55/59/1310575559.db2.gz AEJILUWVSKHQPF-HZPDHXFCSA-N 0 3 334.460 2.630 20 10 EFCDHN CCCCNC(=O)NC(=O)CN(CCCC)Cc1ccccc1O ZINC000801597085 1310576270 /nfs/dbraw/zinc/57/62/70/1310576270.db2.gz AHHVIXJBGLZQCZ-UHFFFAOYSA-N 0 3 335.448 2.620 20 10 EFCDHN [O-]c1ccc(Br)cc1CN1CCC[C@]2(CCC[NH2+]2)C1 ZINC001222346729 1311117346 /nfs/dbraw/zinc/11/73/46/1311117346.db2.gz RXUFHQJBRKNFKJ-OAHLLOKOSA-N 0 3 325.250 2.873 20 10 EFCDHN Cc1cc(CN2CC[C@@]3(CCC[NH2+]3)C2)c([O-])cc1Br ZINC001222477616 1311138807 /nfs/dbraw/zinc/13/88/07/1311138807.db2.gz OCXFFHTZEBLJDY-HNNXBMFYSA-N 0 3 325.250 2.791 20 10 EFCDHN [O-]c1cc(F)c(F)cc1CN1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222608780 1311160036 /nfs/dbraw/zinc/16/00/36/1311160036.db2.gz FARPXNIBJGOUKK-OAHLLOKOSA-N 0 3 330.378 2.859 20 10 EFCDHN CN(C)C(=O)[C@@H]1CCN(Cc2ccc(O)c(O)c2)[C@H]1c1ccccc1 ZINC001276914082 1311294923 /nfs/dbraw/zinc/29/49/23/1311294923.db2.gz MBSJGRSNUJUVNF-APWZRJJASA-N 0 3 340.423 2.749 20 10 EFCDHN C[C@@H](C[N+](C)(C)C)Oc1cccc2c1C(=O)c1c([O-])cccc1C2=O ZINC001226380780 1311658525 /nfs/dbraw/zinc/65/85/25/1311658525.db2.gz ALWYGFRLZBQXQO-LBPRGKRZSA-O 0 3 340.399 2.641 20 10 EFCDHN CN(C)C(=O)[C@]12C[C@H]1CCN2Cc1ccc(N(C)C)c2ccccc12 ZINC001277174166 1311752222 /nfs/dbraw/zinc/75/22/22/1311752222.db2.gz XHNPRWOORYLVSU-IERDGZPVSA-N 0 3 337.467 2.958 20 10 EFCDHN CN(C)C(=O)[C@@]12C[C@@H]1CCN2Cc1ccc(N(C)C)c2ccccc12 ZINC001277174165 1311752409 /nfs/dbraw/zinc/75/24/09/1311752409.db2.gz XHNPRWOORYLVSU-HRAATJIYSA-N 0 3 337.467 2.958 20 10 EFCDHN CCN(C(=O)[C@H]1CC12CC[NH+](Cc1ccc(O)cc1[O-])CC2)C(C)C ZINC001277192009 1311781295 /nfs/dbraw/zinc/78/12/95/1311781295.db2.gz JFQHVZNBFHXMKZ-QGZVFWFLSA-N 0 3 346.471 2.957 20 10 EFCDHN CC(C)(C)NC(=O)[C@H]1C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO[C@H]21 ZINC001277441493 1312176333 /nfs/dbraw/zinc/17/63/33/1312176333.db2.gz MAENQKIBKMUHCI-SOLBZPMBSA-N 0 3 346.471 2.534 20 10 EFCDHN CC(C)(C)NC(=O)[C@H]1C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO[C@H]21 ZINC001277441493 1312176334 /nfs/dbraw/zinc/17/63/34/1312176334.db2.gz MAENQKIBKMUHCI-SOLBZPMBSA-N 0 3 346.471 2.534 20 10 EFCDHN O=C([C@H]1CCC[C@@]12CC[N@@H+](Cc1ccccc1[O-])C2)N1CC=CC1 ZINC001277446337 1312192031 /nfs/dbraw/zinc/19/20/31/1312192031.db2.gz OECWULUONYTHNN-XLIONFOSSA-N 0 3 326.440 2.783 20 10 EFCDHN O=C([C@H]1CCC[C@@]12CC[N@H+](Cc1ccccc1[O-])C2)N1CC=CC1 ZINC001277446337 1312192033 /nfs/dbraw/zinc/19/20/33/1312192033.db2.gz OECWULUONYTHNN-XLIONFOSSA-N 0 3 326.440 2.783 20 10 EFCDHN C[C@@H]([NH2+]CCN1Cc2ccccc2OCC1=O)c1cc(F)ccc1[O-] ZINC000903180470 1312436832 /nfs/dbraw/zinc/43/68/32/1312436832.db2.gz COXCAOJLXDJGAM-CYBMUJFWSA-N 0 3 344.386 2.603 20 10 EFCDHN CC[C@@H]([NH2+]CCN1Cc2ccccc2OCC1=O)c1ccccc1[O-] ZINC000903181752 1312437962 /nfs/dbraw/zinc/43/79/62/1312437962.db2.gz UVMLZBADSDSAOV-QGZVFWFLSA-N 0 3 340.423 2.854 20 10 EFCDHN Cc1ccc([C@@H](C)[NH2+]CCN2Cc3ccccc3OCC2=O)c([O-])c1 ZINC000903181647 1312438401 /nfs/dbraw/zinc/43/84/01/1312438401.db2.gz SZJXAIUSHREDPY-OAHLLOKOSA-N 0 3 340.423 2.772 20 10 EFCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@@H+]1CC[C@H](F)[C@H](O)C1 ZINC001231465563 1312504383 /nfs/dbraw/zinc/50/43/83/1312504383.db2.gz FFZKGFFBYJKPDM-PKOBYXMFSA-N 0 3 331.387 2.876 20 10 EFCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@H+]1CC[C@H](F)[C@H](O)C1 ZINC001231465563 1312504387 /nfs/dbraw/zinc/50/43/87/1312504387.db2.gz FFZKGFFBYJKPDM-PKOBYXMFSA-N 0 3 331.387 2.876 20 10 EFCDHN Oc1cc(OCc2ccccc2)ccc1CN1CC[C@H](F)[C@H](O)C1 ZINC001231465563 1312504391 /nfs/dbraw/zinc/50/43/91/1312504391.db2.gz FFZKGFFBYJKPDM-PKOBYXMFSA-N 0 3 331.387 2.876 20 10 EFCDHN COc1ccc(Br)c(CN2CCC3(CCO3)CC2)c1O ZINC001231554171 1312524017 /nfs/dbraw/zinc/52/40/17/1312524017.db2.gz LPWUJWULQRIWSA-UHFFFAOYSA-N 0 3 342.233 2.918 20 10 EFCDHN COc1ccc(Br)c(C[NH+]2CCC3(CCO3)CC2)c1[O-] ZINC001231554171 1312524020 /nfs/dbraw/zinc/52/40/20/1312524020.db2.gz LPWUJWULQRIWSA-UHFFFAOYSA-N 0 3 342.233 2.918 20 10 EFCDHN COc1cc(CN(C)Cc2ccc3c(c2)OCCO3)c(O)cc1O ZINC001231635447 1312536399 /nfs/dbraw/zinc/53/63/99/1312536399.db2.gz ZFJYBDUKBDXRCA-UHFFFAOYSA-N 0 3 331.368 2.510 20 10 EFCDHN COc1cc(CN2CCN3CCc4ccccc4[C@H]3C2)c(O)cc1O ZINC001231637657 1312537287 /nfs/dbraw/zinc/53/72/87/1312537287.db2.gz PNFQUGGPBSSFJP-QGZVFWFLSA-N 0 3 340.423 2.521 20 10 EFCDHN COc1cc(CN2CCN3CCc4ccccc4[C@@H]3C2)c(O)cc1O ZINC001231637656 1312537364 /nfs/dbraw/zinc/53/73/64/1312537364.db2.gz PNFQUGGPBSSFJP-KRWDZBQOSA-N 0 3 340.423 2.521 20 10 EFCDHN COc1cc(CN2CC[C@@H](CC(=O)OC(C)(C)C)C2)c(O)cc1O ZINC001231639280 1312537543 /nfs/dbraw/zinc/53/75/43/1312537543.db2.gz NTUDCUZDOFDCTF-LBPRGKRZSA-N 0 3 337.416 2.660 20 10 EFCDHN COc1cc(CN2CCC[C@@H](Oc3cccc(C)n3)C2)c(O)cc1O ZINC001231639853 1312537817 /nfs/dbraw/zinc/53/78/17/1312537817.db2.gz MBNZOGNWVWKJFJ-OAHLLOKOSA-N 0 3 344.411 2.853 20 10 EFCDHN COc1cc(C[N@H+](C2CCCC2)C2CCN(C)CC2)c([O-])cc1O ZINC001231640767 1312538800 /nfs/dbraw/zinc/53/88/00/1312538800.db2.gz USGVFZWEPKGSOG-UHFFFAOYSA-N 0 3 334.460 2.945 20 10 EFCDHN COc1cc(C[N@@H+](C2CCCC2)C2CCN(C)CC2)c([O-])cc1O ZINC001231640767 1312538802 /nfs/dbraw/zinc/53/88/02/1312538802.db2.gz USGVFZWEPKGSOG-UHFFFAOYSA-N 0 3 334.460 2.945 20 10 EFCDHN Cc1ccc(C[NH2+][C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)Nc2cn[nH]c2)c([O-])c1 ZINC001277560359 1312558873 /nfs/dbraw/zinc/55/88/73/1312558873.db2.gz WNOULHWAGXJXAH-XLQHLMKVSA-N 0 3 340.427 2.567 20 10 EFCDHN CCn1ncc2c1[C@@H](COC)CN(Cc1c(C)cc(C)cc1O)C2 ZINC001231844805 1312573720 /nfs/dbraw/zinc/57/37/20/1312573720.db2.gz RHMRCAGHRPTMTF-MRXNPFEDSA-N 0 3 329.444 2.971 20 10 EFCDHN COc1cc(N(C)C)ccc1CN1CCC[C@H](c2nnc(C)o2)C1 ZINC001231855017 1312575346 /nfs/dbraw/zinc/57/53/46/1312575346.db2.gz OKRQINITJULBOG-HNNXBMFYSA-N 0 3 330.432 2.832 20 10 EFCDHN COc1cc(N(C)C)ccc1CN1CCCN(c2cccnc2)CC1 ZINC001231857396 1312575674 /nfs/dbraw/zinc/57/56/74/1312575674.db2.gz IOKJUAWNEIGCOE-UHFFFAOYSA-N 0 3 340.471 2.869 20 10 EFCDHN Clc1cc(CN2CC[C@@H]3COC[C@@H]3C2)ccc1N1CCOCC1 ZINC001232193961 1312646059 /nfs/dbraw/zinc/64/60/59/1312646059.db2.gz CXPRBFNUFORYLK-CVEARBPZSA-N 0 3 336.863 2.645 20 10 EFCDHN C[C@@H]1CC[C@H](CO)CN1Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001232194252 1312646685 /nfs/dbraw/zinc/64/66/85/1312646685.db2.gz GPZHUDBIYIUAOA-ZBFHGGJFSA-N 0 3 338.879 2.769 20 10 EFCDHN Clc1cc(CN2CC[C@H]3COC[C@@H]3C2)ccc1N1CCOCC1 ZINC001232199119 1312646750 /nfs/dbraw/zinc/64/67/50/1312646750.db2.gz CXPRBFNUFORYLK-HOTGVXAUSA-N 0 3 336.863 2.645 20 10 EFCDHN Clc1cc(CN2CC(N3CCCCC3)C2)ccc1N1CCOCC1 ZINC001232200340 1312647406 /nfs/dbraw/zinc/64/74/06/1312647406.db2.gz UACUHEXXDNAYFF-UHFFFAOYSA-N 0 3 349.906 2.847 20 10 EFCDHN CC[NH+](CC)C[C@H]1CN(Cc2cc(Cl)c(OC)cc2[O-])CCO1 ZINC001232270943 1312663491 /nfs/dbraw/zinc/66/34/91/1312663491.db2.gz MZDPJBROLNFCOJ-AWEZNQCLSA-N 0 3 342.867 2.597 20 10 EFCDHN CC(C)NC(=O)N1CC2(C1)C[NH+](Cc1ccc3ccccc3c1[O-])C2 ZINC001276373809 1314574020 /nfs/dbraw/zinc/57/40/20/1314574020.db2.gz JTOKEIAFNWLOPT-UHFFFAOYSA-N 0 3 339.439 2.781 20 10 EFCDHN O=C(OCc1ccccc1)N1CC[C@@H]([NH2+]Cc2ccccc2[O-])C1 ZINC000401898950 1314831058 /nfs/dbraw/zinc/83/10/58/1314831058.db2.gz BZLJSYMUXZXFDH-QGZVFWFLSA-N 0 3 326.396 2.893 20 10 EFCDHN Cc1ccc(C)n1-c1ccc(-c2noc(C[C@H]3CNCCO3)n2)cc1 ZINC001248352751 1314928071 /nfs/dbraw/zinc/92/80/71/1314928071.db2.gz QAPIFXQEFJYRAR-KRWDZBQOSA-N 0 3 338.411 2.675 20 10 EFCDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@H](F)C(F)(F)CC2)c([O-])c1 ZINC001249171598 1315028678 /nfs/dbraw/zinc/02/86/78/1315028678.db2.gz DDAMLJBBQPYHOW-AWEZNQCLSA-N 0 3 331.334 2.677 20 10 EFCDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@H](F)C(F)(F)CC2)c([O-])c1 ZINC001249171598 1315028683 /nfs/dbraw/zinc/02/86/83/1315028683.db2.gz DDAMLJBBQPYHOW-AWEZNQCLSA-N 0 3 331.334 2.677 20 10 EFCDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@H](C)C(F)(F)CC2)c([O-])c1 ZINC001249171871 1315028778 /nfs/dbraw/zinc/02/87/78/1315028778.db2.gz GVQCACGVDGHWQG-LBPRGKRZSA-N 0 3 327.371 2.975 20 10 EFCDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@H](C)C(F)(F)CC2)c([O-])c1 ZINC001249171871 1315028783 /nfs/dbraw/zinc/02/87/83/1315028783.db2.gz GVQCACGVDGHWQG-LBPRGKRZSA-N 0 3 327.371 2.975 20 10 EFCDHN CCC[N@H+](CCc1ccccn1)Cc1ccc(CC(=O)OC)cc1[O-] ZINC001249207763 1315032777 /nfs/dbraw/zinc/03/27/77/1315032777.db2.gz IGZGZMTYKQFHRM-UHFFFAOYSA-N 0 3 342.439 2.957 20 10 EFCDHN CCC[N@@H+](CCc1ccccn1)Cc1ccc(CC(=O)OC)cc1[O-] ZINC001249207763 1315032780 /nfs/dbraw/zinc/03/27/80/1315032780.db2.gz IGZGZMTYKQFHRM-UHFFFAOYSA-N 0 3 342.439 2.957 20 10 EFCDHN COC(=O)Cc1ccc(C[N@@H+]2CCC[C@@H]2c2ccncc2)c([O-])c1 ZINC001249201157 1315033188 /nfs/dbraw/zinc/03/31/88/1315033188.db2.gz HVSDRFPMLBNOIH-QGZVFWFLSA-N 0 3 326.396 2.840 20 10 EFCDHN COC(=O)Cc1ccc(C[N@H+]2CCC[C@@H]2c2ccncc2)c([O-])c1 ZINC001249201157 1315033189 /nfs/dbraw/zinc/03/31/89/1315033189.db2.gz HVSDRFPMLBNOIH-QGZVFWFLSA-N 0 3 326.396 2.840 20 10 EFCDHN CC(=O)NC1CC[NH+](Cc2ccc3c(c2[O-])C=CC(C)(C)O3)CC1 ZINC001249223408 1315034358 /nfs/dbraw/zinc/03/43/58/1315034358.db2.gz FCYAVYZENFBPLG-UHFFFAOYSA-N 0 3 330.428 2.677 20 10 EFCDHN COC(=O)Cc1ccc(C[N@H+](C)C[C@H]2Cc3ccccc3O2)c([O-])c1 ZINC001249223632 1315034518 /nfs/dbraw/zinc/03/45/18/1315034518.db2.gz KIJWCMUOWKCODR-QGZVFWFLSA-N 0 3 341.407 2.543 20 10 EFCDHN COC(=O)Cc1ccc(C[N@@H+](C)C[C@H]2Cc3ccccc3O2)c([O-])c1 ZINC001249223632 1315034521 /nfs/dbraw/zinc/03/45/21/1315034521.db2.gz KIJWCMUOWKCODR-QGZVFWFLSA-N 0 3 341.407 2.543 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)c2cccc(C#N)c2)N(C)C)cc1 ZINC000038635169 1315039502 /nfs/dbraw/zinc/03/95/02/1315039502.db2.gz KAHBZXYSCBQCQS-IBGZPJMESA-N 0 3 336.439 2.657 20 10 EFCDHN CN(C)C(=O)[C@@H]1CCCN1Cc1ccc2c(c1O)C=CC(C)(C)O2 ZINC001249252140 1315039752 /nfs/dbraw/zinc/03/97/52/1315039752.db2.gz GWPGOCCQWXSVCU-HNNXBMFYSA-N 0 3 330.428 2.629 20 10 EFCDHN CC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc3c(c2[O-])C=CC(C)(C)O3)C1 ZINC001249259356 1315040633 /nfs/dbraw/zinc/04/06/33/1315040633.db2.gz UKZLUPLAALGTHC-OAHLLOKOSA-N 0 3 330.428 2.629 20 10 EFCDHN CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccc3c(c2[O-])C=CC(C)(C)O3)C1 ZINC001249259356 1315040638 /nfs/dbraw/zinc/04/06/38/1315040638.db2.gz UKZLUPLAALGTHC-OAHLLOKOSA-N 0 3 330.428 2.629 20 10 EFCDHN O=C1c2ccccc2C(=O)c2cc(O[C@@H]3CCCNC[C@H]3F)ccc21 ZINC001217952255 1315124480 /nfs/dbraw/zinc/12/44/80/1315124480.db2.gz VVUSHTPTUDFNEH-QZTJIDSGSA-N 0 3 339.366 2.931 20 10 EFCDHN O=C1c2cccc([O-])c2C(=O)c2c(O[C@H]3CCCC[NH2+]C3)cccc21 ZINC001217972531 1315127433 /nfs/dbraw/zinc/12/74/33/1315127433.db2.gz SJOHRYTVNBWBRD-LBPRGKRZSA-N 0 3 337.375 2.689 20 10 EFCDHN C[C@@H]1C[C@H](Oc2cccc3c2C(=O)c2c([O-])cccc2C3=O)CC[NH2+]1 ZINC001218050233 1315139344 /nfs/dbraw/zinc/13/93/44/1315139344.db2.gz PVRLNZMADHQXGB-VXGBXAGGSA-N 0 3 337.375 2.687 20 10 EFCDHN C[C@H]1C[C@@H](Oc2cccc3c2C(=O)c2cccc([O-])c2C3=O)CC[NH2+]1 ZINC001218062387 1315140667 /nfs/dbraw/zinc/14/06/67/1315140667.db2.gz SWFMDSJCPFPJFQ-RYUDHWBXSA-N 0 3 337.375 2.687 20 10 EFCDHN C[C@@H]1C[C@@H](Oc2cccc3c2C(=O)c2cccc([O-])c2C3=O)CC[NH2+]1 ZINC001218062385 1315140796 /nfs/dbraw/zinc/14/07/96/1315140796.db2.gz SWFMDSJCPFPJFQ-NEPJUHHUSA-N 0 3 337.375 2.687 20 10 EFCDHN O=C1c2cccc([O-])c2C(=O)c2c(O[C@@H]3CC[C@@]34CC[NH2+]C4)cccc21 ZINC001218117836 1315151059 /nfs/dbraw/zinc/15/10/59/1315151059.db2.gz UORUHRSPNWWULX-IERDGZPVSA-N 0 3 349.386 2.689 20 10 EFCDHN O=C1c2cccc([O-])c2C(=O)c2c(O[C@@H]3C[C@H]4CC[NH2+][C@H]4C3)cccc21 ZINC001218247181 1315170487 /nfs/dbraw/zinc/17/04/87/1315170487.db2.gz PKWOQTZAQLYPPA-JMSVASOKSA-N 0 3 349.386 2.687 20 10 EFCDHN O=C1c2cccc(O[C@H]3C[C@H]4[NH2+]CC[C@H]4C3)c2C(=O)c2cccc([O-])c21 ZINC001218248480 1315171328 /nfs/dbraw/zinc/17/13/28/1315171328.db2.gz HDQPWTNRDSEJSI-YWPYICTPSA-N 0 3 349.386 2.687 20 10 EFCDHN O=C1c2cccc(O[C@@H]3C[C@H]4CC[NH2+][C@@H]4C3)c2C(=O)c2cccc([O-])c21 ZINC001218248474 1315171450 /nfs/dbraw/zinc/17/14/50/1315171450.db2.gz HDQPWTNRDSEJSI-LALPHHSUSA-N 0 3 349.386 2.687 20 10 EFCDHN Cc1cc(O[C@@H]2[C@@H]3CC[C@H]2[NH2+]C3)c2c(c1)C(=O)c1cccc([O-])c1C2=O ZINC001218445024 1315196650 /nfs/dbraw/zinc/19/66/50/1315196650.db2.gz PQNQKGBIOQQNMY-HQHPYACNSA-N 0 3 349.386 2.605 20 10 EFCDHN O=C1c2cccc([O-])c2C(=O)c2c(O[C@@H]3CC[C@@H]4C[NH2+]C[C@H]34)cccc21 ZINC001218473850 1315201347 /nfs/dbraw/zinc/20/13/47/1315201347.db2.gz SBCXFJXYBLTMHP-DIOULYMOSA-N 0 3 349.386 2.544 20 10 EFCDHN CC[N@@H+](Cc1ccccc1[O-])C[C@H](O)COc1ccc(F)cc1F ZINC001250861547 1315281930 /nfs/dbraw/zinc/28/19/30/1315281930.db2.gz UPKCGQVVNLPFGN-HNNXBMFYSA-N 0 3 337.366 2.932 20 10 EFCDHN CC[N@H+](Cc1ccccc1[O-])C[C@H](O)COc1ccc(F)cc1F ZINC001250861547 1315281934 /nfs/dbraw/zinc/28/19/34/1315281934.db2.gz UPKCGQVVNLPFGN-HNNXBMFYSA-N 0 3 337.366 2.932 20 10 EFCDHN C[C@H]1CC[NH2+][C@H](C(=O)NCc2cc(Cl)c3cccnc3c2[O-])C1 ZINC001220212725 1315385459 /nfs/dbraw/zinc/38/54/59/1315385459.db2.gz UGBHUJUHOJPYCK-HZMBPMFUSA-N 0 3 333.819 2.598 20 10 EFCDHN COCCOCN1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccc(C(C)C)cc1[O-])C2 ZINC001276814276 1315424866 /nfs/dbraw/zinc/42/48/66/1315424866.db2.gz FXEDIKNGSSBFRJ-APWZRJJASA-N 0 3 348.487 2.642 20 10 EFCDHN COCCOCN1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccc(C(C)C)cc1[O-])C2 ZINC001276814276 1315424870 /nfs/dbraw/zinc/42/48/70/1315424870.db2.gz FXEDIKNGSSBFRJ-APWZRJJASA-N 0 3 348.487 2.642 20 10 EFCDHN CC(C)CCN1CC[C@@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001039061697 1315435186 /nfs/dbraw/zinc/43/51/86/1315435186.db2.gz SMHOTRGYGGNTMH-OAHLLOKOSA-N 0 3 331.420 2.699 20 10 EFCDHN CN(C)c1ccc(/C=C/C(=O)NC[C@@H]2Cc3ccccc3CN2)cc1 ZINC001221397220 1315520554 /nfs/dbraw/zinc/52/05/54/1315520554.db2.gz HVDJCCQOYYVEFW-DLENHJPASA-N 0 3 335.451 2.597 20 10 EFCDHN CCCC[C@@H](CC)COC[C@H](O)C[NH2+]Cc1ccc(O)cc1[O-] ZINC001253023536 1315555539 /nfs/dbraw/zinc/55/55/39/1315555539.db2.gz WMYMIHLDHQFIMG-RHSMWYFYSA-N 0 3 325.449 2.781 20 10 EFCDHN CC[N@H+](Cc1ccccc1[O-])C[C@@](C)(O)C(=O)OCc1ccccc1 ZINC001253637306 1315621255 /nfs/dbraw/zinc/62/12/55/1315621255.db2.gz ZTQOWWCWIAZWCJ-HXUWFJFHSA-N 0 3 343.423 2.709 20 10 EFCDHN CC[N@@H+](Cc1ccccc1[O-])C[C@@](C)(O)C(=O)OCc1ccccc1 ZINC001253637306 1315621259 /nfs/dbraw/zinc/62/12/59/1315621259.db2.gz ZTQOWWCWIAZWCJ-HXUWFJFHSA-N 0 3 343.423 2.709 20 10 EFCDHN NC(=O)COC1CC[NH+](Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC001254018280 1315666167 /nfs/dbraw/zinc/66/61/67/1315666167.db2.gz GXWVHTXOQZVDEK-UHFFFAOYSA-N 0 3 340.423 2.526 20 10 EFCDHN CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]([NH2+]Cc3cccc(O)c3[O-])C[C@@H]2C1 ZINC001254896290 1315756803 /nfs/dbraw/zinc/75/68/03/1315756803.db2.gz SNZVAWIOJNLTHU-FICVDOATSA-N 0 3 348.443 2.833 20 10 EFCDHN CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCc3cccc([O-])c3C1)C2 ZINC001255213778 1315792284 /nfs/dbraw/zinc/79/22/84/1315792284.db2.gz IPBXVAAKBORFSS-ZSHCYNCHSA-N 0 3 330.428 2.902 20 10 EFCDHN CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCc3cccc([O-])c3C1)C2 ZINC001255213778 1315792286 /nfs/dbraw/zinc/79/22/86/1315792286.db2.gz IPBXVAAKBORFSS-ZSHCYNCHSA-N 0 3 330.428 2.902 20 10 EFCDHN CCOC(=O)[C@@H]1CCC[C@H](N2CCN(c3ccc(OC)cc3)CC2)C1 ZINC001255356170 1315808520 /nfs/dbraw/zinc/80/85/20/1315808520.db2.gz HSIWMJXEZADLSC-AEFFLSMTSA-N 0 3 346.471 2.939 20 10 EFCDHN CCCN(C(=O)NCc1ccc(N(C)C)cc1C)[C@H]1CCN(C)C1 ZINC001261453411 1316412941 /nfs/dbraw/zinc/41/29/41/1316412941.db2.gz FIACTUMVUSKVHD-SFHVURJKSA-N 0 3 332.492 2.687 20 10 EFCDHN CC[C@@]1(CO)CCCN(Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001320487828 1329143408 /nfs/dbraw/zinc/14/34/08/1329143408.db2.gz WEKKUORPQMUILZ-HXUWFJFHSA-N 0 3 349.494 2.562 20 10 EFCDHN C[C@H](C[S@](C)=O)N[C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000753765244 1324795980 /nfs/dbraw/zinc/79/59/80/1324795980.db2.gz XWKSVGVBHOWCFB-VJBOLBCHSA-N 0 3 344.908 2.594 20 10 EFCDHN CS[C@@H]1CC[C@H](N(C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC001322156271 1329433782 /nfs/dbraw/zinc/43/37/82/1329433782.db2.gz BXYHRDDOPLNOOS-ZWKOTPCHSA-N 0 3 349.544 2.927 20 10 EFCDHN O=C1CC[C@H](C[N@H+](Cc2ccco2)Cc2ccccc2[O-])CCN1 ZINC001324722834 1329653930 /nfs/dbraw/zinc/65/39/30/1329653930.db2.gz ZEBMCFQRIBPWQJ-HNNXBMFYSA-N 0 3 328.412 2.904 20 10 EFCDHN O=C1CC[C@H](C[N@@H+](Cc2ccco2)Cc2ccccc2[O-])CCN1 ZINC001324722834 1329653932 /nfs/dbraw/zinc/65/39/32/1329653932.db2.gz ZEBMCFQRIBPWQJ-HNNXBMFYSA-N 0 3 328.412 2.904 20 10 EFCDHN CC[C@@H]1CN(Cc2ccc(N3CCN(C)CC3)c(F)c2)CCCO1 ZINC001326996684 1330396664 /nfs/dbraw/zinc/39/66/64/1330396664.db2.gz KWGCYCCPVGTNEH-QGZVFWFLSA-N 0 3 335.467 2.578 20 10 EFCDHN CS[C@H]1CC[C@H](N(C)CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC001327314118 1330458539 /nfs/dbraw/zinc/45/85/39/1330458539.db2.gz WAIDHZXICHHFAZ-IRXDYDNUSA-N 0 3 335.517 2.585 20 10 EFCDHN CS[C@@H]1CC[C@H](N(C)CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC001327314110 1330458650 /nfs/dbraw/zinc/45/86/50/1330458650.db2.gz WAIDHZXICHHFAZ-DLBZAZTESA-N 0 3 335.517 2.585 20 10 EFCDHN CSCC[C@H](NCc1ccc(N2CCCC2)cc1)C(=O)N(C)C ZINC001327433433 1330477479 /nfs/dbraw/zinc/47/74/79/1330477479.db2.gz IFYYMQPUBDEOEB-KRWDZBQOSA-N 0 3 335.517 2.586 20 10 EFCDHN CCN1CCC[C@H]1CNC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC001328579095 1330604933 /nfs/dbraw/zinc/60/49/33/1330604933.db2.gz XNJYQGGKWOWPFY-HNNXBMFYSA-N 0 3 344.484 2.530 20 10 EFCDHN COc1ccc(CN[C@@H](CN(C)C)c2ccc(F)cc2)c(O)c1OC ZINC001333824347 1331220344 /nfs/dbraw/zinc/22/03/44/1331220344.db2.gz XETCANIHPRSIJI-INIZCTEOSA-N 0 3 348.418 2.941 20 10 EFCDHN CCN(C)c1ccc([C@H](C)N[C@H](C)C(=O)NCC(F)(F)F)cc1 ZINC001337294678 1331558570 /nfs/dbraw/zinc/55/85/70/1331558570.db2.gz ROJIBSUGJAFIDH-NWDGAFQWSA-N 0 3 331.382 2.860 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CCOC(C)(C)C2)N(C)C)cc1 ZINC001337459715 1331577099 /nfs/dbraw/zinc/57/70/99/1331577099.db2.gz RPOVJKDWOYJERX-SJLPKXTDSA-N 0 3 347.503 2.677 20 10 EFCDHN CC[C@@H](C)C[C@@H](N)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC001341571220 1332268583 /nfs/dbraw/zinc/26/85/83/1332268583.db2.gz MPXGRLNOLMFICU-RHSMWYFYSA-N 0 3 335.517 2.620 20 10 EFCDHN CC(C)c1ncc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)[nH]1 ZINC001342710549 1332335597 /nfs/dbraw/zinc/33/55/97/1332335597.db2.gz YWXDEJUNZZTKLU-QGZVFWFLSA-N 0 3 343.475 2.632 20 10 EFCDHN Nc1ccc(CNC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)cc1 ZINC001343567302 1332358373 /nfs/dbraw/zinc/35/83/73/1332358373.db2.gz ORUSTIRGWWJCEH-KRWDZBQOSA-N 0 3 341.430 2.936 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)c2ccc(F)c(N)c2)N(C)C)cc1 ZINC001345646376 1332555157 /nfs/dbraw/zinc/55/51/57/1332555157.db2.gz LOXQXKGDYSPAOM-SFHVURJKSA-N 0 3 344.434 2.507 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=O)c2ccc(Cl)[nH]2)N(C)C)cc1 ZINC001348013680 1332793418 /nfs/dbraw/zinc/79/34/18/1332793418.db2.gz ZNHSPTTZISHNRX-OAHLLOKOSA-N 0 3 334.851 2.767 20 10 EFCDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1CCCCN1C ZINC001349332708 1332939324 /nfs/dbraw/zinc/93/93/24/1332939324.db2.gz ZTFWMKWQCZXMLE-GOSISDBHSA-N 0 3 332.492 2.768 20 10 EFCDHN CCN(C)c1ccc([C@H](C)NCc2n[nH]c([C@@H]3CCCO3)n2)cc1 ZINC000848557237 1334793824 /nfs/dbraw/zinc/79/38/24/1334793824.db2.gz IHHSZTTXAVHJSF-BBRMVZONSA-N 0 3 329.448 2.963 20 10 EFCDHN CN(C)c1ccc(CN[C@H]2CCc3ccccc3NC2=O)cc1F ZINC000848561255 1334795658 /nfs/dbraw/zinc/79/56/58/1334795658.db2.gz SSCLHHVDWUMRQW-KRWDZBQOSA-N 0 3 327.403 2.935 20 10 EFCDHN CCc1cccc(CNCc2ccc(S(C)(=O)=O)s2)c1O ZINC000848906361 1334977014 /nfs/dbraw/zinc/97/70/14/1334977014.db2.gz VDPPDLXUWUIGJM-UHFFFAOYSA-N 0 3 325.455 2.709 20 10 EFCDHN CCOc1cccc(CN2CCC(Oc3ncc(C)cn3)CC2)c1O ZINC000848925035 1334991181 /nfs/dbraw/zinc/99/11/81/1334991181.db2.gz LLPAVLRNKYSLBS-UHFFFAOYSA-N 0 3 343.427 2.933 20 10 EFCDHN CSCC[C@H]([NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F)C(=O)N(C)C ZINC000806663012 713470303 /nfs/dbraw/zinc/47/03/03/713470303.db2.gz RKJKBTUFTSITCG-WXHSDQCUSA-N 0 3 340.464 2.879 20 10 EFCDHN Cc1cnc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)c(C)c1 ZINC000891243659 714127146 /nfs/dbraw/zinc/12/71/46/714127146.db2.gz RSHAHXJPTWMRCQ-GOSISDBHSA-N 0 3 340.471 2.797 20 10 EFCDHN CCCc1nc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)co1 ZINC000891246769 714133159 /nfs/dbraw/zinc/13/31/59/714133159.db2.gz DDYRZOQLZSJVFU-QGZVFWFLSA-N 0 3 344.459 2.726 20 10 EFCDHN CCCc1nc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)co1 ZINC000891246768 714133239 /nfs/dbraw/zinc/13/32/39/714133239.db2.gz DDYRZOQLZSJVFU-KRWDZBQOSA-N 0 3 344.459 2.726 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)c2cnc(C3CC3)o2)N(C)C)cc1 ZINC000891248244 714137472 /nfs/dbraw/zinc/13/74/72/714137472.db2.gz XEHKLGIWDQYRAR-INIZCTEOSA-N 0 3 342.443 2.651 20 10 EFCDHN CCC[C@@H](OCC)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891248254 714137494 /nfs/dbraw/zinc/13/74/94/714137494.db2.gz XFULUQMRSQUZRE-QZTJIDSGSA-N 0 3 335.492 2.677 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)CCc2ccoc2)N(C)C)cc1 ZINC000891250479 714140621 /nfs/dbraw/zinc/14/06/21/714140621.db2.gz ABNHGKWJFFLVMN-SFHVURJKSA-N 0 3 329.444 2.697 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=O)CCc2ccoc2)N(C)C)cc1 ZINC000891250478 714140749 /nfs/dbraw/zinc/14/07/49/714140749.db2.gz ABNHGKWJFFLVMN-GOSISDBHSA-N 0 3 329.444 2.697 20 10 EFCDHN C[C@@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)C(F)(F)F ZINC000891250483 714140817 /nfs/dbraw/zinc/14/08/17/714140817.db2.gz AGQZMPHWMVFSSH-FZMZJTMJSA-N 0 3 331.382 2.670 20 10 EFCDHN Cc1nscc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891250039 714141546 /nfs/dbraw/zinc/14/15/46/714141546.db2.gz YDQJFGPHNXGABD-MRXNPFEDSA-N 0 3 332.473 2.550 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CC2(Cl)Cl)N(C)C)cc1 ZINC000891252074 714142850 /nfs/dbraw/zinc/14/28/50/714142850.db2.gz FRRXPVHOZBVZQZ-UONOGXRCSA-N 0 3 344.286 2.665 20 10 EFCDHN C[C@@H]1CC[C@@H](CCC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)O1 ZINC000891251990 714142963 /nfs/dbraw/zinc/14/29/63/714142963.db2.gz JFABHMIGMTXOAU-MNEFBYGVSA-N 0 3 347.503 2.819 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=O)C(C2CC2)C2CC2)N(C)C)cc1 ZINC000891251026 714143842 /nfs/dbraw/zinc/14/38/42/714143842.db2.gz BWKHZLZFECRVIJ-GOSISDBHSA-N 0 3 329.488 2.908 20 10 EFCDHN Cc1cc(C)c(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)o1 ZINC000891252821 714146274 /nfs/dbraw/zinc/14/62/74/714146274.db2.gz NYIRYTIMXXDNHM-QGZVFWFLSA-N 0 3 329.444 2.995 20 10 EFCDHN CC(C)n1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)n1 ZINC000891253123 714146566 /nfs/dbraw/zinc/14/65/66/714146566.db2.gz QWBQVVNTFWDXOI-SFHVURJKSA-N 0 3 343.475 2.563 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)N(C)C)cc1 ZINC000891252379 714146836 /nfs/dbraw/zinc/14/68/36/714146836.db2.gz KGDMDKFPUUEPDX-ZSYWTGECSA-N 0 3 329.488 2.908 20 10 EFCDHN Cc1ncc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)s1 ZINC000891255955 714150604 /nfs/dbraw/zinc/15/06/04/714150604.db2.gz UAHSNZTWTNSABV-OAHLLOKOSA-N 0 3 332.473 2.550 20 10 EFCDHN Cc1cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)c(C)n1C ZINC000891255502 714151751 /nfs/dbraw/zinc/15/17/51/714151751.db2.gz QMCNNYXJUFMDHS-IBGZPJMESA-N 0 3 342.487 2.741 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)Cc2ccccc2F)N(C)C)cc1 ZINC000891258424 714153408 /nfs/dbraw/zinc/15/34/08/714153408.db2.gz SMQYARFLEQKOCU-IBGZPJMESA-N 0 3 343.446 2.853 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)NC(C2CC2)C2CC2)N(C)C)cc1 ZINC000891723910 714977894 /nfs/dbraw/zinc/97/78/94/714977894.db2.gz SRZKXEXCLKPPHI-SFHVURJKSA-N 0 3 344.503 2.843 20 10 EFCDHN Cc1cc(Br)cc(CN2C[C@@H](C)N(C)[C@@H](C)C2)c1O ZINC000141913939 723475344 /nfs/dbraw/zinc/47/53/44/723475344.db2.gz WQYHBHIFAIQADU-TXEJJXNPSA-N 0 3 327.266 2.988 20 10 EFCDHN C[C@H]1C[C@@H]([NH2+]CCC(C)(C)S(C)(=O)=O)c2c1c(F)ccc2[O-] ZINC000840875326 716795624 /nfs/dbraw/zinc/79/56/24/716795624.db2.gz CUFMGAKZRWJSAD-CMPLNLGQSA-N 0 3 329.437 2.883 20 10 EFCDHN COc1ccccc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000005097761 718057572 /nfs/dbraw/zinc/05/75/72/718057572.db2.gz HGAURWNLLGWOST-SFHVURJKSA-N 0 3 341.455 2.794 20 10 EFCDHN COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)c3ccccc3[O-])C2)cc1C ZINC001019997784 719421074 /nfs/dbraw/zinc/42/10/74/719421074.db2.gz WDIFBULXDUPNSW-WKILWMFISA-N 0 3 340.423 2.760 20 10 EFCDHN CCS(=O)(=O)CCC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000840973008 719898153 /nfs/dbraw/zinc/89/81/53/719898153.db2.gz AUGIKHMKHJXNNQ-UHFFFAOYSA-N 0 3 333.453 2.974 20 10 EFCDHN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc(CN(C)C)c1 ZINC000183469636 720252602 /nfs/dbraw/zinc/25/26/02/720252602.db2.gz LSIFIPKPPWKSPY-ZDUSSCGKSA-N 0 3 328.412 2.520 20 10 EFCDHN COc1cc(C)cc(CN2CCC([C@@H](O)C(F)(F)F)CC2)c1O ZINC000894072561 720267339 /nfs/dbraw/zinc/26/73/39/720267339.db2.gz KZAXMEHTYKETCC-OAHLLOKOSA-N 0 3 333.350 2.844 20 10 EFCDHN CCOc1ccc(C[C@H](C[NH2+]Cc2ccccc2[O-])C(=O)OC)cc1 ZINC000894141949 720890862 /nfs/dbraw/zinc/89/08/62/720890862.db2.gz XAZZJDVCVXQOFS-QGZVFWFLSA-N 0 3 343.423 2.912 20 10 EFCDHN CNS(=O)(=O)c1ccc([C@H](C)NCc2ccc(OC)c(C)c2)cc1 ZINC000067247885 721084127 /nfs/dbraw/zinc/08/41/27/721084127.db2.gz VRFYENLJINGMGP-AWEZNQCLSA-N 0 3 348.468 2.763 20 10 EFCDHN COc1ccc(N2CCCN(CCC(=O)OC(C)(C)C)CC2)cc1 ZINC000053775249 721314422 /nfs/dbraw/zinc/31/44/22/721314422.db2.gz WNSXGPHSVLPZHB-UHFFFAOYSA-N 0 3 334.460 2.939 20 10 EFCDHN COc1cc(C)cc(CN2CCCC[C@H]2COC(=O)N(C)C)c1O ZINC000894753690 722836706 /nfs/dbraw/zinc/83/67/06/722836706.db2.gz XJIMEPSRKKDXAD-HNNXBMFYSA-N 0 3 336.432 2.762 20 10 EFCDHN COc1cc(C)cc(CN[C@@H]2CCN(c3ccc(F)cc3)C2=O)c1O ZINC000894997897 723047954 /nfs/dbraw/zinc/04/79/54/723047954.db2.gz AZHCGDGTSKMEEB-MRXNPFEDSA-N 0 3 344.386 2.743 20 10 EFCDHN CC(C)(C)OC(=O)N1CCO[C@@]2(CC[N@H+](Cc3ccccc3[O-])C2)C1 ZINC000896168195 723177473 /nfs/dbraw/zinc/17/74/73/723177473.db2.gz ODTRXFBLBULMQO-LJQANCHMSA-N 0 3 348.443 2.604 20 10 EFCDHN CC(C)(C)OC(=O)N1CCO[C@@]2(CC[N@@H+](Cc3ccccc3[O-])C2)C1 ZINC000896168195 723177475 /nfs/dbraw/zinc/17/74/75/723177475.db2.gz ODTRXFBLBULMQO-LJQANCHMSA-N 0 3 348.443 2.604 20 10 EFCDHN C=C/C=C/CCNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000896437230 723301864 /nfs/dbraw/zinc/30/18/64/723301864.db2.gz MQEKURMAHZGKHU-DVBCCOPCSA-N 0 3 330.476 2.787 20 10 EFCDHN Cc1cc(CNCc2ccc(N3CCC(O)CC3)cc2)cnc1F ZINC000895451227 724140203 /nfs/dbraw/zinc/14/02/03/724140203.db2.gz KXRZUNKVKZKEKL-UHFFFAOYSA-N 0 3 329.419 2.780 20 10 EFCDHN COc1cc(Cl)cc(C[NH+]2CCC3(CC2)C[C@H](O)CCO3)c1[O-] ZINC000897261321 724144980 /nfs/dbraw/zinc/14/49/80/724144980.db2.gz ZSIAGVAVEWHGKY-CQSZACIVSA-N 0 3 341.835 2.560 20 10 EFCDHN COc1cc(Cl)cc(CN2CCC3(CC2)C[C@H](O)CCO3)c1O ZINC000897261321 724144983 /nfs/dbraw/zinc/14/49/83/724144983.db2.gz ZSIAGVAVEWHGKY-CQSZACIVSA-N 0 3 341.835 2.560 20 10 EFCDHN CCO/C=C/[C@@](O)(CNCc1ccc2c(c1)CCO2)C(F)(F)F ZINC000895709304 724279800 /nfs/dbraw/zinc/27/98/00/724279800.db2.gz ZDRVXLQDZIBNSJ-PMGBHYCQSA-N 0 3 331.334 2.555 20 10 EFCDHN COc1ccc(O)c(CN(C)C[C@H]2CCN2C(=O)OC(C)(C)C)c1 ZINC000897405438 725011066 /nfs/dbraw/zinc/01/10/66/725011066.db2.gz CWPQOUIMYXGKJQ-CQSZACIVSA-N 0 3 336.432 2.842 20 10 EFCDHN CN(C)c1ccc(CNC(=O)N2CCN(C3CCCCC3)CC2)cc1 ZINC000152176201 725968200 /nfs/dbraw/zinc/96/82/00/725968200.db2.gz IGJLDBAXUVJIFP-UHFFFAOYSA-N 0 3 344.503 2.913 20 10 EFCDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](N)Cc1ccccc1 ZINC000324222482 726306281 /nfs/dbraw/zinc/30/62/81/726306281.db2.gz WNGMSMNHVJKNMQ-LJQANCHMSA-N 0 3 325.456 2.671 20 10 EFCDHN CC(C)CNC(=O)NC(=O)C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000731847021 726941983 /nfs/dbraw/zinc/94/19/83/726941983.db2.gz AXOGYNHENZXMDG-UHFFFAOYSA-N 0 3 347.459 2.619 20 10 EFCDHN CC(C)CNC(=O)NC(=O)C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000731847021 726941984 /nfs/dbraw/zinc/94/19/84/726941984.db2.gz AXOGYNHENZXMDG-UHFFFAOYSA-N 0 3 347.459 2.619 20 10 EFCDHN Cc1cc(O)c(CN(C)[C@H]2CCN(CC(F)(F)F)C2=O)cc1C ZINC000732797034 727232220 /nfs/dbraw/zinc/23/22/20/727232220.db2.gz FNJOBEVBNXCWFK-ZDUSSCGKSA-N 0 3 330.350 2.604 20 10 EFCDHN C[C@H](NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1cccnc1 ZINC000732917482 727307928 /nfs/dbraw/zinc/30/79/28/727307928.db2.gz VCLODLUIAYSGST-MAUKXSAKSA-N 0 3 338.455 2.634 20 10 EFCDHN CC[C@@H](CNC(=O)Cc1ccc(N)cc1)N1CCc2ccccc2C1 ZINC000164947385 728000671 /nfs/dbraw/zinc/00/06/71/728000671.db2.gz GTMKSCRUKZWJPY-FQEVSTJZSA-N 0 3 337.467 2.764 20 10 EFCDHN COc1ccc(O)c([C@@H](C)NCC(=O)Nc2cccc(C#N)c2)c1 ZINC000182326942 728083944 /nfs/dbraw/zinc/08/39/44/728083944.db2.gz ZIKAYVKQGUFVMG-GFCCVEGCSA-N 0 3 325.368 2.562 20 10 EFCDHN COc1ccc(NC(=O)CN[C@@H](C)c2cc(OC)ccc2O)cc1 ZINC000182349653 728110958 /nfs/dbraw/zinc/11/09/58/728110958.db2.gz HTDHPIAKKNGMGQ-LBPRGKRZSA-N 0 3 330.384 2.699 20 10 EFCDHN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc(CN(C)C)c1 ZINC000183469658 728111541 /nfs/dbraw/zinc/11/15/41/728111541.db2.gz LSIFIPKPPWKSPY-CYBMUJFWSA-N 0 3 328.412 2.520 20 10 EFCDHN COc1ccc(O)c([C@@H](C)NCC(=O)N[C@@H](C)c2cccs2)c1 ZINC000182443407 728162811 /nfs/dbraw/zinc/16/28/11/728162811.db2.gz MXNPHUFCPYXLHX-NEPJUHHUSA-N 0 3 334.441 2.990 20 10 EFCDHN Oc1cc2c(cc1CN1CC[C@@H](Oc3cccc(F)c3)C1)OCO2 ZINC000182778470 728365877 /nfs/dbraw/zinc/36/58/77/728365877.db2.gz ITBGJLLILIGJCQ-OAHLLOKOSA-N 0 3 331.343 2.913 20 10 EFCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CCC[C@](C)(CC)C1)cc2=O ZINC000173778882 728635271 /nfs/dbraw/zinc/63/52/71/728635271.db2.gz VTQFWBOIBZKONU-SFHVURJKSA-N 0 3 346.431 2.624 20 10 EFCDHN COC(=O)[C@@H](C)Oc1ccccc1CNCc1ccc(N(C)C)cc1 ZINC000921496186 729462293 /nfs/dbraw/zinc/46/22/93/729462293.db2.gz PPDVZRDYRAYVSM-OAHLLOKOSA-N 0 3 342.439 2.983 20 10 EFCDHN COC(=O)COc1ccccc1CNCc1ccc(N(C)C)cc1 ZINC000921496648 729494159 /nfs/dbraw/zinc/49/41/59/729494159.db2.gz XYTDCYHQCWLTTE-UHFFFAOYSA-N 0 3 328.412 2.594 20 10 EFCDHN CN(C)c1cc(F)c(CN[C@@H](CO)Cc2ccc(F)cc2)cc1F ZINC000858154455 1126112862 /nfs/dbraw/zinc/11/28/62/1126112862.db2.gz ILPNWFPUZHQCQZ-OAHLLOKOSA-N 0 3 338.373 2.863 20 10 EFCDHN CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@@H](N)Cc1ccccc1 ZINC001578489793 1090384334 /nfs/dbraw/zinc/38/43/34/1090384334.db2.gz MHFJGHMTSHXRAJ-FQEVSTJZSA-N 0 3 337.467 2.815 20 10 EFCDHN Cc1ccc(O)c(CNC(=O)Nc2ccc([C@@H]3CNCCO3)cc2)c1 ZINC001579723246 1090672072 /nfs/dbraw/zinc/67/20/72/1090672072.db2.gz GJJHSZWRKGWYPL-SFHVURJKSA-N 0 3 341.411 2.683 20 10 EFCDHN Cc1nn2c(c1Cl)N(C(=O)c1cccc3c1CCNC3)CCC2 ZINC001579895003 1090716236 /nfs/dbraw/zinc/71/62/36/1090716236.db2.gz RHGKTXYWEMLNTH-UHFFFAOYSA-N 0 3 330.819 2.541 20 10 EFCDHN C/C=C\C[C@@H](CO)[NH2+]Cc1cc(Br)cc(OC)c1[O-] ZINC000588489557 1092479328 /nfs/dbraw/zinc/47/93/28/1092479328.db2.gz GLWSMOJKVOLTRY-MVZIDQBPSA-N 0 3 330.222 2.580 20 10 EFCDHN COc1ccc(CNCc2ccc(N3CCSCC3)cc2)cn1 ZINC000780509195 1093409449 /nfs/dbraw/zinc/40/94/49/1093409449.db2.gz PLLFUOPFUOVGHL-UHFFFAOYSA-N 0 3 329.469 2.933 20 10 EFCDHN CC[C@@H]([NH2+][C@@H]1Cc2ccc(-c3nn[nH]n3)cc2C1)c1ccccc1[O-] ZINC001590464982 1093435129 /nfs/dbraw/zinc/43/51/29/1093435129.db2.gz RXTIBIUPCQFOGM-NVXWUHKLSA-N 0 3 335.411 2.780 20 10 EFCDHN CCCN(Cc1cc(-c2nnn[n-]2)cs1)c1ccc(C[NH3+])cc1 ZINC001590627527 1093523666 /nfs/dbraw/zinc/52/36/66/1093523666.db2.gz FMGXEKCSNBDIIG-UHFFFAOYSA-N 0 3 328.445 2.804 20 10 EFCDHN CCCN(Cc1cc(-c2nn[n-]n2)cs1)c1ccc(C[NH3+])cc1 ZINC001590627527 1093523679 /nfs/dbraw/zinc/52/36/79/1093523679.db2.gz FMGXEKCSNBDIIG-UHFFFAOYSA-N 0 3 328.445 2.804 20 10 EFCDHN CCOc1cccc(C[N@H+](C)Cc2cc(-c3nnn[n-]3)cs2)c1O ZINC001590843552 1093594076 /nfs/dbraw/zinc/59/40/76/1093594076.db2.gz ZSZQBBKWWQHZQZ-UHFFFAOYSA-N 0 3 345.428 2.665 20 10 EFCDHN CCOc1cccc(C[N@@H+](C)Cc2cc(-c3nnn[n-]3)cs2)c1O ZINC001590843552 1093594079 /nfs/dbraw/zinc/59/40/79/1093594079.db2.gz ZSZQBBKWWQHZQZ-UHFFFAOYSA-N 0 3 345.428 2.665 20 10 EFCDHN COc1cc(C[N@H+](C)Cc2cc(-c3nnn[n-]3)cs2)c(O)cc1C ZINC001591526144 1093751894 /nfs/dbraw/zinc/75/18/94/1093751894.db2.gz NCBACMQZUTWBQQ-UHFFFAOYSA-N 0 3 345.428 2.583 20 10 EFCDHN COc1cc(C[N@@H+](C)Cc2cc(-c3nnn[n-]3)cs2)c(O)cc1C ZINC001591526144 1093751899 /nfs/dbraw/zinc/75/18/99/1093751899.db2.gz NCBACMQZUTWBQQ-UHFFFAOYSA-N 0 3 345.428 2.583 20 10 EFCDHN Cc1cc(C[N@H+](C)Cc2ccc(-c3nnn[n-]3)cc2)ccc1N(C)C ZINC001591960822 1093934757 /nfs/dbraw/zinc/93/47/57/1093934757.db2.gz AHLXBHNNKHPEIV-UHFFFAOYSA-N 0 3 336.443 2.873 20 10 EFCDHN Cc1cc(C[N@@H+](C)Cc2ccc(-c3nnn[n-]3)cc2)ccc1N(C)C ZINC001591960822 1093934762 /nfs/dbraw/zinc/93/47/62/1093934762.db2.gz AHLXBHNNKHPEIV-UHFFFAOYSA-N 0 3 336.443 2.873 20 10 EFCDHN Cc1cc(C[N@H+](C)Cc2ccc(-c3nn[n-]n3)cc2)ccc1N(C)C ZINC001591960822 1093934764 /nfs/dbraw/zinc/93/47/64/1093934764.db2.gz AHLXBHNNKHPEIV-UHFFFAOYSA-N 0 3 336.443 2.873 20 10 EFCDHN Cc1cc(C[N@@H+](C)Cc2ccc(-c3nn[n-]n3)cc2)ccc1N(C)C ZINC001591960822 1093934767 /nfs/dbraw/zinc/93/47/67/1093934767.db2.gz AHLXBHNNKHPEIV-UHFFFAOYSA-N 0 3 336.443 2.873 20 10 EFCDHN COc1cc(C)cc(C[N@H+](C)Cc2cc(-c3nnn[n-]3)cs2)c1O ZINC001605203521 1097050488 /nfs/dbraw/zinc/05/04/88/1097050488.db2.gz RKQADNJRJBMYPF-UHFFFAOYSA-N 0 3 345.428 2.583 20 10 EFCDHN COc1cc(C)cc(C[N@@H+](C)Cc2cc(-c3nnn[n-]3)cs2)c1O ZINC001605203521 1097050493 /nfs/dbraw/zinc/05/04/93/1097050493.db2.gz RKQADNJRJBMYPF-UHFFFAOYSA-N 0 3 345.428 2.583 20 10 EFCDHN CCO[C@H]1C[C@@H]([NH2+]Cc2cc(Br)cc(OC)c2[O-])C1 ZINC000839147321 1099587908 /nfs/dbraw/zinc/58/79/08/1099587908.db2.gz HRCZSZIQWGICQI-TXEJJXNPSA-N 0 3 330.222 2.820 20 10 EFCDHN C[C@H]([NH2+]CCN1CCN(c2ccccc2)CC1)c1ccccc1[O-] ZINC000783499119 1100278735 /nfs/dbraw/zinc/27/87/35/1100278735.db2.gz LIKLFBHJFYOPMZ-KRWDZBQOSA-N 0 3 325.456 2.865 20 10 EFCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@@H](OC(=O)N(C)C)C3)c2c1 ZINC000840107138 1100828019 /nfs/dbraw/zinc/82/80/19/1100828019.db2.gz WSPLFVAYPGZOOL-OAHLLOKOSA-N 0 3 344.411 2.827 20 10 EFCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@@H](OC(=O)N(C)C)C3)c2c1 ZINC000840107138 1100828024 /nfs/dbraw/zinc/82/80/24/1100828024.db2.gz WSPLFVAYPGZOOL-OAHLLOKOSA-N 0 3 344.411 2.827 20 10 EFCDHN CC(C)Nc1ccnc(NCc2ccc(N3CCN(C)CC3)cc2)n1 ZINC001167423018 1101574905 /nfs/dbraw/zinc/57/49/05/1101574905.db2.gz KANBVPLWIQTNID-UHFFFAOYSA-N 0 3 340.475 2.661 20 10 EFCDHN CN(C)[C@H](CNC(=O)/C=C\c1ccc(O)c(O)c1)c1ccccc1 ZINC000588403531 1101902320 /nfs/dbraw/zinc/90/23/20/1101902320.db2.gz OJCSDLVXKQRPST-HGPCXVNDSA-N 0 3 326.396 2.530 20 10 EFCDHN CN1CC[C@@]2(CCCN2Cc2cc3c4c(c2)CCCN4CCC3)C1=O ZINC001272364986 1108078741 /nfs/dbraw/zinc/07/87/41/1108078741.db2.gz WBXLUQQJUFVEEO-NRFANRHFSA-N 0 3 339.483 2.582 20 10 EFCDHN Cc1nn(C)c(CNC[C@@H](c2ccc(N(C)C)cc2)N(C)C)c1Cl ZINC000898448756 1108942834 /nfs/dbraw/zinc/94/28/34/1108942834.db2.gz WHCOJSKMDQKTIU-INIZCTEOSA-N 0 3 349.910 2.840 20 10 EFCDHN COC(=O)c1occc1CNC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898449874 1108944004 /nfs/dbraw/zinc/94/40/04/1108944004.db2.gz KUGTUMVHNAGZEZ-QGZVFWFLSA-N 0 3 345.443 2.525 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)N(C)Cc2ccoc2)N(C)C)cc1 ZINC000899101333 1109201952 /nfs/dbraw/zinc/20/19/52/1109201952.db2.gz IYVZBARNUKXWEN-SFHVURJKSA-N 0 3 344.459 2.790 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)N2CCC[C@H]2C2CC2)N(C)C)cc1 ZINC000899102543 1109203034 /nfs/dbraw/zinc/20/30/34/1109203034.db2.gz QKSYGFKATYJMGJ-OALUTQOASA-N 0 3 344.503 2.939 20 10 EFCDHN CCC1(C)CN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC000899105821 1109204800 /nfs/dbraw/zinc/20/48/00/1109204800.db2.gz ZIPTWTWKZPZRFN-QGZVFWFLSA-N 0 3 332.492 2.797 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)NC2(C)CC=CC2)N(C)C)cc1 ZINC000899099167 1109206647 /nfs/dbraw/zinc/20/66/47/1109206647.db2.gz WGNCLTWWSUWAQX-KRWDZBQOSA-N 0 3 330.476 2.763 20 10 EFCDHN O=C1C[C@]2(CN1CC(F)(F)F)CCCC[N@H+]2Cc1ccccc1[O-] ZINC001272618286 1111752177 /nfs/dbraw/zinc/75/21/77/1111752177.db2.gz FFCWHRWBMBXLKO-INIZCTEOSA-N 0 3 342.361 2.912 20 10 EFCDHN O=C1C[C@]2(CN1CC(F)(F)F)CCCC[N@@H+]2Cc1ccccc1[O-] ZINC001272618286 1111752183 /nfs/dbraw/zinc/75/21/83/1111752183.db2.gz FFCWHRWBMBXLKO-INIZCTEOSA-N 0 3 342.361 2.912 20 10 EFCDHN CN1C[C@@H](c2ccccc2)[C@]2(CC[N@H+](Cc3ccccc3[O-])C2)C1=O ZINC001272618646 1111752892 /nfs/dbraw/zinc/75/28/92/1111752892.db2.gz LEIGCXMCSMTKLM-GHTZIAJQSA-N 0 3 336.435 2.840 20 10 EFCDHN CN1C[C@@H](c2ccccc2)[C@]2(CC[N@@H+](Cc3ccccc3[O-])C2)C1=O ZINC001272618646 1111752898 /nfs/dbraw/zinc/75/28/98/1111752898.db2.gz LEIGCXMCSMTKLM-GHTZIAJQSA-N 0 3 336.435 2.840 20 10 EFCDHN O=C1CC[C@@H]2[C@@H](CCN2Cc2ccccc2O)N1CC(F)(F)F ZINC001272619212 1111754405 /nfs/dbraw/zinc/75/44/05/1111754405.db2.gz SJEWVJWQFLLLBH-CHWSQXEVSA-N 0 3 328.334 2.520 20 10 EFCDHN O=C1CC[C@@H]2[C@@H](CC[N@H+]2Cc2ccccc2[O-])N1CC(F)(F)F ZINC001272619212 1111754409 /nfs/dbraw/zinc/75/44/09/1111754409.db2.gz SJEWVJWQFLLLBH-CHWSQXEVSA-N 0 3 328.334 2.520 20 10 EFCDHN O=C1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccccc2[O-])N1CC(F)(F)F ZINC001272619212 1111754411 /nfs/dbraw/zinc/75/44/11/1111754411.db2.gz SJEWVJWQFLLLBH-CHWSQXEVSA-N 0 3 328.334 2.520 20 10 EFCDHN O=C1C[C@]2(CN1Cc1cnoc1)CCCC[N@H+]2Cc1ccccc1[O-] ZINC001272619820 1111755866 /nfs/dbraw/zinc/75/58/66/1111755866.db2.gz ZSWJZGZXMWNWSF-IBGZPJMESA-N 0 3 341.411 2.537 20 10 EFCDHN O=C1C[C@]2(CN1Cc1cnoc1)CCCC[N@@H+]2Cc1ccccc1[O-] ZINC001272619820 1111755870 /nfs/dbraw/zinc/75/58/70/1111755870.db2.gz ZSWJZGZXMWNWSF-IBGZPJMESA-N 0 3 341.411 2.537 20 10 EFCDHN CCCCN1CC[C@]2(CCCN2Cc2ccc(OC)cc2O)C1=O ZINC001272624928 1111763038 /nfs/dbraw/zinc/76/30/38/1111763038.db2.gz DGYHRFYAYWKITO-LJQANCHMSA-N 0 3 332.444 2.768 20 10 EFCDHN CCCCN1CC[C@]2(CCC[N@@H+]2Cc2ccc(OC)cc2[O-])C1=O ZINC001272624928 1111763041 /nfs/dbraw/zinc/76/30/41/1111763041.db2.gz DGYHRFYAYWKITO-LJQANCHMSA-N 0 3 332.444 2.768 20 10 EFCDHN CCCCN1CC[C@]2(CCC[N@H+]2Cc2ccc(OC)cc2[O-])C1=O ZINC001272624928 1111763046 /nfs/dbraw/zinc/76/30/46/1111763046.db2.gz DGYHRFYAYWKITO-LJQANCHMSA-N 0 3 332.444 2.768 20 10 EFCDHN Cc1c(O)ccc(CN2CCC[C@@]23CCN(C2CCCC2)C3=O)c1O ZINC001272660789 1111953659 /nfs/dbraw/zinc/95/36/59/1111953659.db2.gz WHPFNLAJAGFSIP-FQEVSTJZSA-N 0 3 344.455 2.916 20 10 EFCDHN C[N@H+](Cc1cc(F)cc(Br)c1[O-])[C@H]1CCCC[C@@H]1N ZINC001236216695 1112277371 /nfs/dbraw/zinc/27/73/71/1112277371.db2.gz LRDFGJBQTZMHIV-STQMWFEESA-N 0 3 331.229 2.996 20 10 EFCDHN C[N@@H+](Cc1cc(F)cc(Br)c1[O-])[C@H]1CCCC[C@@H]1N ZINC001236216695 1112277374 /nfs/dbraw/zinc/27/73/74/1112277374.db2.gz LRDFGJBQTZMHIV-STQMWFEESA-N 0 3 331.229 2.996 20 10 EFCDHN COc1ccc(O)c([C@@H](C)NCC(=O)NCc2ccc(C)c(F)c2)c1 ZINC000182425728 1118605124 /nfs/dbraw/zinc/60/51/24/1118605124.db2.gz YPNDNXXKCZMRFX-CYBMUJFWSA-N 0 3 346.402 2.815 20 10 EFCDHN C[C@@H]([NH2+]Cc1cccc(OCC(=O)N(C)C)c1)c1cc(F)ccc1[O-] ZINC000185063960 1119706106 /nfs/dbraw/zinc/70/61/06/1119706106.db2.gz UGNIRZVZVBMVEU-CYBMUJFWSA-N 0 3 346.402 2.849 20 10 EFCDHN Cc1ccc([C@@H](C)[NH2+]Cc2ccc(S(=O)(=O)N(C)C)cc2)c([O-])c1 ZINC000185110700 1119744514 /nfs/dbraw/zinc/74/45/14/1119744514.db2.gz TXTXFVCXPMCFTR-CQSZACIVSA-N 0 3 348.468 2.802 20 10 EFCDHN Cc1cc(C(=O)NC2CC[NH+](Cc3cc(C)c(C)cc3[O-])CC2)no1 ZINC000052084271 214116718 /nfs/dbraw/zinc/11/67/18/214116718.db2.gz RUHFJEOGKVHCJX-UHFFFAOYSA-N 0 3 343.427 2.700 20 10 EFCDHN C[C@H]([NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1)c1ccc(F)cc1[O-] ZINC000186126927 299273606 /nfs/dbraw/zinc/27/36/06/299273606.db2.gz KERDXXXBYMGVTB-KKXDTOCCSA-N 0 3 336.451 2.950 20 10 EFCDHN COc1ccc(OCC[N@H+](C)Cc2ccccc2[O-])c([N+](=O)[O-])c1 ZINC000173358778 239189558 /nfs/dbraw/zinc/18/95/58/239189558.db2.gz PKWBPXMSNFZOAL-UHFFFAOYSA-N 0 3 332.356 2.820 20 10 EFCDHN COc1ccc(OCC[N@@H+](C)Cc2ccccc2[O-])c([N+](=O)[O-])c1 ZINC000173358778 239189562 /nfs/dbraw/zinc/18/95/62/239189562.db2.gz PKWBPXMSNFZOAL-UHFFFAOYSA-N 0 3 332.356 2.820 20 10 EFCDHN C[C@H]1C[C@@H](NC(=O)NCc2ccc(N3CCCC3)cc2)CN1C1CC1 ZINC000177708240 239388063 /nfs/dbraw/zinc/38/80/63/239388063.db2.gz HOLOFGSEZADYQP-DOTOQJQBSA-N 0 3 342.487 2.711 20 10 EFCDHN Cc1cc(C(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)c(C)n1-c1ccccn1 ZINC000177183979 239362292 /nfs/dbraw/zinc/36/22/92/239362292.db2.gz MSJVUTJOPOCVGY-CJNGLKHVSA-N 0 3 338.455 2.844 20 10 EFCDHN COc1ccc(O)c(CN[C@@H]2CCN(Cc3ccc(C)cc3)C2=O)c1 ZINC000191809307 240007930 /nfs/dbraw/zinc/00/79/30/240007930.db2.gz QXQBJRQXSWWCQX-GOSISDBHSA-N 0 3 340.423 2.600 20 10 EFCDHN COC(=O)C[C@@](C)(NCc1cc(C)c(C)cc1O)c1ccncc1 ZINC000191903536 240010664 /nfs/dbraw/zinc/01/06/64/240010664.db2.gz ZXVVDRJNSHENPC-LJQANCHMSA-N 0 3 328.412 2.972 20 10 EFCDHN [O-]c1ccccc1C[N@H+](CCO[C@H]1CCCCO1)C[C@@H]1CCCO1 ZINC000193071268 240083341 /nfs/dbraw/zinc/08/33/41/240083341.db2.gz JKELRZASUOMTFX-HKUYNNGSSA-N 0 3 335.444 2.916 20 10 EFCDHN [O-]c1ccccc1C[N@@H+](CCO[C@H]1CCCCO1)C[C@@H]1CCCO1 ZINC000193071268 240083350 /nfs/dbraw/zinc/08/33/50/240083350.db2.gz JKELRZASUOMTFX-HKUYNNGSSA-N 0 3 335.444 2.916 20 10 EFCDHN CCN1CCN(c2ccc(CN[C@@H](C)c3ccnn3C)cc2F)CC1 ZINC000192843124 240067660 /nfs/dbraw/zinc/06/76/60/240067660.db2.gz VBEFJVVLMUMEHN-HNNXBMFYSA-N 0 3 345.466 2.552 20 10 EFCDHN CN(C(=O)Cc1ccc(N)cc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000237292191 240240189 /nfs/dbraw/zinc/24/01/89/240240189.db2.gz PUWDWEFIDDTLJZ-FQEVSTJZSA-N 0 3 337.467 2.934 20 10 EFCDHN C[C@@H](CN1CCOCC1)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000263722357 240386398 /nfs/dbraw/zinc/38/63/98/240386398.db2.gz WLHNGPMERNZXIL-INIZCTEOSA-N 0 3 326.440 2.870 20 10 EFCDHN O=S1(=O)CC[C@@H](C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000263720412 240387456 /nfs/dbraw/zinc/38/74/56/240387456.db2.gz WGQCZVYQHWRIEB-AWEZNQCLSA-N 0 3 331.437 2.584 20 10 EFCDHN CCOc1cccc(CN[C@H]2CCN(Cc3ccccc3)C2=O)c1O ZINC000263737532 240389937 /nfs/dbraw/zinc/38/99/37/240389937.db2.gz ZOCBEPKOKLMHRY-KRWDZBQOSA-N 0 3 340.423 2.682 20 10 EFCDHN OCC[C@H](NCc1cc2c(cc1O)OCO2)c1ccc(Cl)cc1 ZINC000288501256 241014206 /nfs/dbraw/zinc/01/42/06/241014206.db2.gz RYPGKKKZUITJPI-AWEZNQCLSA-N 0 3 335.787 2.988 20 10 EFCDHN CN(Cc1cccs1)c1ccc(CN(C)[C@@H]2COC[C@H]2O)cc1 ZINC000295980049 241070053 /nfs/dbraw/zinc/07/00/53/241070053.db2.gz JIYAREMKESFHCM-QZTJIDSGSA-N 0 3 332.469 2.576 20 10 EFCDHN COC(=O)COc1cccc(C[NH2+][C@H]2CCc3cccc([O-])c32)c1 ZINC000296225290 241079096 /nfs/dbraw/zinc/07/90/96/241079096.db2.gz AIGJSJDQTOKSCU-INIZCTEOSA-N 0 3 327.380 2.721 20 10 EFCDHN Cc1cnccc1CNCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000296460770 241086808 /nfs/dbraw/zinc/08/68/08/241086808.db2.gz OSZANPNGTDWUFT-UHFFFAOYSA-N 0 3 329.419 2.780 20 10 EFCDHN O=S(=O)(CCC[NH2+][C@H]1CCc2cccc([O-])c21)c1ccccc1 ZINC000295839009 241064618 /nfs/dbraw/zinc/06/46/18/241064618.db2.gz FLBGSIMNRSRMQA-INIZCTEOSA-N 0 3 331.437 2.833 20 10 EFCDHN CN(C)c1ccc(CN(C(=O)NC2CCN(C)CC2)C2CC2)cc1 ZINC000298891225 241162743 /nfs/dbraw/zinc/16/27/43/241162743.db2.gz ZOXFKBGMBMPHRD-UHFFFAOYSA-N 0 3 330.476 2.521 20 10 EFCDHN O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccc(O)c1[O-] ZINC000311213635 241203765 /nfs/dbraw/zinc/20/37/65/241203765.db2.gz QJYNYYDRBMJNIA-INIZCTEOSA-N 0 3 340.423 2.740 20 10 EFCDHN O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccc(O)c1[O-] ZINC000311213635 241203771 /nfs/dbraw/zinc/20/37/71/241203771.db2.gz QJYNYYDRBMJNIA-INIZCTEOSA-N 0 3 340.423 2.740 20 10 EFCDHN CC(C)C[C@H]1OCCC[C@@H]1NCC(=O)NCc1ccc(N(C)C)cc1 ZINC000299388056 241175674 /nfs/dbraw/zinc/17/56/74/241175674.db2.gz RIAAITKAMWEJJQ-RBUKOAKNSA-N 0 3 347.503 2.552 20 10 EFCDHN O=C(NC1CC[NH+](CC2CCCCC2)CC1)c1cccc(O)c1[O-] ZINC000366097173 242341608 /nfs/dbraw/zinc/34/16/08/242341608.db2.gz UDXTZNMNOMEUKO-UHFFFAOYSA-N 0 3 332.444 2.872 20 10 EFCDHN Cc1cc(C(=O)Nc2cnc3c(c2)CNCC3)c(C)n1-c1ccccn1 ZINC000364138710 242291960 /nfs/dbraw/zinc/29/19/60/242291960.db2.gz LHZBJXYFYIGCGM-UHFFFAOYSA-N 0 3 347.422 2.782 20 10 EFCDHN CN(C)c1ccc(CN2CCC[C@H](C(=O)Nc3ccccn3)C2)cc1 ZINC000367226767 242376658 /nfs/dbraw/zinc/37/66/58/242376658.db2.gz PVOFJVCVHCPETK-KRWDZBQOSA-N 0 3 338.455 2.998 20 10 EFCDHN Cc1cc(Br)cc(CN(C)[C@@H]2CCCCNC2=O)c1O ZINC000367728224 242389671 /nfs/dbraw/zinc/38/96/71/242389671.db2.gz UYOLFOBNGLLYGS-CYBMUJFWSA-N 0 3 341.249 2.564 20 10 EFCDHN CC1(C)CN(Cc2ccc(N3CCOCC3)cc2)[C@@H]1[C@H]1CCCO1 ZINC000367940019 242396326 /nfs/dbraw/zinc/39/63/26/242396326.db2.gz BJOPYJWCIVZKDK-RTBURBONSA-N 0 3 330.472 2.913 20 10 EFCDHN Cc1ccc(S(=O)(=O)C[C@@H](C)NCc2cccc(C)c2O)cc1 ZINC000154874405 224319683 /nfs/dbraw/zinc/31/96/83/224319683.db2.gz NIKGMHOFVCKZQL-OAHLLOKOSA-N 0 3 333.453 2.961 20 10 EFCDHN C[C@@H](NCCC(=O)N1CCCCC1)c1ccc(N2CCOCC2)cc1 ZINC000163489343 533369154 /nfs/dbraw/zinc/36/91/54/533369154.db2.gz QQGVHFHPABTVDW-QGZVFWFLSA-N 0 3 345.487 2.576 20 10 EFCDHN Cc1ccc([C@@H](C[NH2+][C@@H]2CCc3cccc([O-])c32)N2CCOCC2)o1 ZINC000295914902 292202343 /nfs/dbraw/zinc/20/23/43/292202343.db2.gz JKSCPJCYXVLLLZ-IAGOWNOFSA-N 0 3 342.439 2.944 20 10 EFCDHN CCOc1cccc(C[N@@H+]2CCC[C@@H]2CN2C[C@@H](C)O[C@@H](C)C2)c1[O-] ZINC000092506643 544546564 /nfs/dbraw/zinc/54/65/64/544546564.db2.gz BHISQYYMSXKRPW-SOLBZPMBSA-N 0 3 348.487 2.865 20 10 EFCDHN CCOc1cccc(C[N@H+]2CCC[C@@H]2CN2C[C@@H](C)O[C@@H](C)C2)c1[O-] ZINC000092506643 544546565 /nfs/dbraw/zinc/54/65/65/544546565.db2.gz BHISQYYMSXKRPW-SOLBZPMBSA-N 0 3 348.487 2.865 20 10 EFCDHN CC[C@H]([NH2+][C@@H](C)c1cc2c(cc1[O-])CCCC2)C(=O)N1CCOCC1 ZINC000185665224 276638276 /nfs/dbraw/zinc/63/82/76/276638276.db2.gz GNUANOKGFZGLHY-KSSFIOAISA-N 0 3 346.471 2.559 20 10 EFCDHN C[C@@H]([NH2+]CCCN1CCN(C)CC1)c1ccc2ccccc2c1[O-] ZINC000192923914 277619474 /nfs/dbraw/zinc/61/94/74/277619474.db2.gz HCOPOFWLEHOABR-MRXNPFEDSA-N 0 3 327.472 2.834 20 10 EFCDHN C[C@H](C(=O)N1CCOc2cc(N(C)C)ccc21)N1[C@H](C)CC[C@@H]1C ZINC000413536646 279201272 /nfs/dbraw/zinc/20/12/72/279201272.db2.gz VXWOPQNKSSCNJS-QLFBSQMISA-N 0 3 331.460 2.739 20 10 EFCDHN COc1cccc(C[NH2+]CCCC(=O)N2CCc3ccccc32)c1[O-] ZINC000111409616 473212031 /nfs/dbraw/zinc/21/20/31/473212031.db2.gz SQHHRTNRLCELHG-UHFFFAOYSA-N 0 3 340.423 2.860 20 10 EFCDHN CC(C)C(=O)NC[C@H]1CCCN(Cc2ccc(N(C)C)c(F)c2)C1 ZINC000124128703 473214149 /nfs/dbraw/zinc/21/41/49/473214149.db2.gz KHMIZZSQPLPSBB-MRXNPFEDSA-N 0 3 335.467 2.876 20 10 EFCDHN COc1ccc(OC)c([C@H](O)C[NH2+][C@@H](C)c2cc(F)ccc2[O-])c1 ZINC000184947326 473280989 /nfs/dbraw/zinc/28/09/89/473280989.db2.gz CVPXRAHHKZZQOJ-APPDUMDISA-N 0 3 335.375 2.933 20 10 EFCDHN CC(C)[C@@H](C[NH2+][C@H](C)c1cc(Cl)ccc1[O-])N1CCN(C)CC1 ZINC000184976980 473288616 /nfs/dbraw/zinc/28/86/16/473288616.db2.gz MSDMICLADWHTOF-RHSMWYFYSA-N 0 3 339.911 2.968 20 10 EFCDHN CC[NH+]1CCN(c2cccc([N-]S(=O)(=O)c3ccccc3)c2)CC1 ZINC000185159248 473346603 /nfs/dbraw/zinc/34/66/03/473346603.db2.gz OASALWUMGTUMLJ-UHFFFAOYSA-N 0 3 345.468 2.629 20 10 EFCDHN COc1ccc(O)c([C@H](C)N[C@@H]2CC(=O)N(c3ccccc3)C2)c1 ZINC000185164316 473347308 /nfs/dbraw/zinc/34/73/08/473347308.db2.gz LHUSUFSQHUVJQB-UONOGXRCSA-N 0 3 326.396 2.857 20 10 EFCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CC(=O)N(c3ccccc3)C2)c1 ZINC000185164316 473347316 /nfs/dbraw/zinc/34/73/16/473347316.db2.gz LHUSUFSQHUVJQB-UONOGXRCSA-N 0 3 326.396 2.857 20 10 EFCDHN Cc1ccc(O)c([C@H](C)NCc2cccnc2N2CCN(C)CC2)c1 ZINC000185165773 473349171 /nfs/dbraw/zinc/34/91/71/473349171.db2.gz GZKMVULGHKMXRV-INIZCTEOSA-N 0 3 340.471 2.698 20 10 EFCDHN Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H](C)c2cc(C)ccc2[O-])cc1 ZINC000185194868 473358125 /nfs/dbraw/zinc/35/81/25/473358125.db2.gz HMOGHLXUEYVDAK-HNNXBMFYSA-N 0 3 348.468 2.638 20 10 EFCDHN Cc1ccc(S(=O)(=O)NCCN[C@@H](C)c2cc(C)ccc2O)cc1 ZINC000185194868 473358128 /nfs/dbraw/zinc/35/81/28/473358128.db2.gz HMOGHLXUEYVDAK-HNNXBMFYSA-N 0 3 348.468 2.638 20 10 EFCDHN Cc1n[nH]cc1C[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000113359191 473387471 /nfs/dbraw/zinc/38/74/71/473387471.db2.gz LZBULGRLASZMDU-MRXNPFEDSA-N 0 3 334.851 2.831 20 10 EFCDHN COc1ccc([O-])c([C@H](C)[NH2+]CCCNC(=O)c2cccc(O)c2)c1 ZINC000185303677 473389528 /nfs/dbraw/zinc/38/95/28/473389528.db2.gz QUIIRDKHBGXVEZ-ZDUSSCGKSA-N 0 3 344.411 2.577 20 10 EFCDHN Cc1c2ccccc2n(C)c1CNC(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000349606754 475977822 /nfs/dbraw/zinc/97/78/22/475977822.db2.gz BPIGDOKDWJFFDN-DYVFJYSZSA-N 0 3 340.471 2.769 20 10 EFCDHN CCOc1cccc(C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c1[O-] ZINC000000228624 471338942 /nfs/dbraw/zinc/33/89/42/471338942.db2.gz WFLPRDXYVBKDRZ-GOEBONIOSA-N 0 3 340.423 2.572 20 10 EFCDHN CCOc1cccc(C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c1[O-] ZINC000000228624 471338946 /nfs/dbraw/zinc/33/89/46/471338946.db2.gz WFLPRDXYVBKDRZ-GOEBONIOSA-N 0 3 340.423 2.572 20 10 EFCDHN CCN(CC)c1ccc(CNC(=O)NC2CCN(C)CC2)cc1F ZINC000066976066 471978645 /nfs/dbraw/zinc/97/86/45/471978645.db2.gz CBSCCGCNHDWAAE-UHFFFAOYSA-N 0 3 336.455 2.565 20 10 EFCDHN CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H](C)c2ccccc2[O-])c1 ZINC000154158220 472396026 /nfs/dbraw/zinc/39/60/26/472396026.db2.gz RIIZTITVZZQTHJ-STQMWFEESA-N 0 3 334.441 2.712 20 10 EFCDHN CCCOc1ccc(C[N@@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)c([O-])c1 ZINC000154835094 472477704 /nfs/dbraw/zinc/47/77/04/472477704.db2.gz FPJVENVHIGPSGX-QGZVFWFLSA-N 0 3 346.471 2.919 20 10 EFCDHN CCCOc1ccc(C[N@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)c([O-])c1 ZINC000154835094 472477710 /nfs/dbraw/zinc/47/77/10/472477710.db2.gz FPJVENVHIGPSGX-QGZVFWFLSA-N 0 3 346.471 2.919 20 10 EFCDHN CC(C)(NCc1cc2c(cc1O)OCO2)C(=O)NCC1CCCCC1 ZINC000129508810 472548266 /nfs/dbraw/zinc/54/82/66/472548266.db2.gz XEQGMBGPOJVYAW-UHFFFAOYSA-N 0 3 348.443 2.686 20 10 EFCDHN COc1cccc(CNC(C)(C)C(=O)NCC2CCCCC2)c1O ZINC000129510790 472549566 /nfs/dbraw/zinc/54/95/66/472549566.db2.gz JKUXMLCWIJBYRZ-UHFFFAOYSA-N 0 3 334.460 2.966 20 10 EFCDHN C[C@H]1CCCN(CCNC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000046392391 472554374 /nfs/dbraw/zinc/55/43/74/472554374.db2.gz HZUPCJYGOKMQKV-INIZCTEOSA-N 0 3 332.492 2.626 20 10 EFCDHN CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H](Cc3nccn3C)C2)c1[O-] ZINC000090003493 472576846 /nfs/dbraw/zinc/57/68/46/472576846.db2.gz ZHXLMYMVHSHJNH-CQSZACIVSA-N 0 3 345.418 2.922 20 10 EFCDHN CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H](Cc3nccn3C)C2)c1[O-] ZINC000090003493 472576852 /nfs/dbraw/zinc/57/68/52/472576852.db2.gz ZHXLMYMVHSHJNH-CQSZACIVSA-N 0 3 345.418 2.922 20 10 EFCDHN CCO[C@@H]1C[C@@H](O)C12CCN(Cc1ccc(N(C)C)c(F)c1)CC2 ZINC000130232136 472591771 /nfs/dbraw/zinc/59/17/71/472591771.db2.gz SFKYQHQHPNJOHU-QZTJIDSGSA-N 0 3 336.451 2.644 20 10 EFCDHN Cc1cc(C(=O)N(C)CC2CCN(C)CC2)c(C)n1-c1ccccn1 ZINC000103451905 472635471 /nfs/dbraw/zinc/63/54/71/472635471.db2.gz RUXNHBGCRBSAPT-UHFFFAOYSA-N 0 3 340.471 2.903 20 10 EFCDHN C[C@@H](N[C@@H]1CCCN(CC(F)(F)F)C1=O)c1ccc(N(C)C)cc1 ZINC000090591773 472640002 /nfs/dbraw/zinc/64/00/02/472640002.db2.gz SUCLGHOFWAJXOE-IUODEOHRSA-N 0 3 343.393 2.957 20 10 EFCDHN C[C@@H]1OCC[C@H]1NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000120284950 472662758 /nfs/dbraw/zinc/66/27/58/472662758.db2.gz OOFMILCUIAWKIZ-BLLLJJGKSA-N 0 3 344.377 2.809 20 10 EFCDHN CCN1CCCC[C@@H]1C(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000104289226 472664919 /nfs/dbraw/zinc/66/49/19/472664919.db2.gz QEILSOCOYDKPPN-LJQANCHMSA-N 0 3 345.487 2.608 20 10 EFCDHN CNS(=O)(=O)c1cccc(CN[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000131974563 472706111 /nfs/dbraw/zinc/70/61/11/472706111.db2.gz YWDBFIBSIJQUJE-CQSZACIVSA-N 0 3 347.484 2.512 20 10 EFCDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000120669218 472728247 /nfs/dbraw/zinc/72/82/47/472728247.db2.gz PULXXVFDERQMIE-APWZRJJASA-N 0 3 342.487 2.544 20 10 EFCDHN CCC[N@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)NC(=O)NC(C)(C)C ZINC000157068070 472781179 /nfs/dbraw/zinc/78/11/79/472781179.db2.gz QRKYYLKOMOAWGU-ZDUSSCGKSA-N 0 3 335.448 2.617 20 10 EFCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)NC(=O)NC(C)(C)C ZINC000157068070 472781184 /nfs/dbraw/zinc/78/11/84/472781184.db2.gz QRKYYLKOMOAWGU-ZDUSSCGKSA-N 0 3 335.448 2.617 20 10 EFCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccco1)OCO2 ZINC000091958897 472831802 /nfs/dbraw/zinc/83/18/02/472831802.db2.gz ZLXYXNFARGBQRO-UKRRQHHQSA-N 0 3 331.368 2.802 20 10 EFCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccco1)OCO2 ZINC000091958897 472831808 /nfs/dbraw/zinc/83/18/08/472831808.db2.gz ZLXYXNFARGBQRO-UKRRQHHQSA-N 0 3 331.368 2.802 20 10 EFCDHN CCN1CCN([C@@H]2CC[N@H+](Cc3c([O-])ccc4ccccc43)C2)CC1 ZINC000106854742 472898953 /nfs/dbraw/zinc/89/89/53/472898953.db2.gz MGQCUCITKHUFBN-GOSISDBHSA-N 0 3 339.483 2.757 20 10 EFCDHN CCN1CCN([C@@H]2CC[N@@H+](Cc3c([O-])ccc4ccccc43)C2)CC1 ZINC000106854742 472898958 /nfs/dbraw/zinc/89/89/58/472898958.db2.gz MGQCUCITKHUFBN-GOSISDBHSA-N 0 3 339.483 2.757 20 10 EFCDHN CCOc1ccc(O)c(CN(C)C[C@@H](O)COCc2ccccc2)c1 ZINC000092472571 472918464 /nfs/dbraw/zinc/91/84/64/472918464.db2.gz ISBCPXIHTHVDIR-GOSISDBHSA-N 0 3 345.439 2.800 20 10 EFCDHN CCOc1ccc([O-])c(C[N@H+](C)C[C@@H](O)COCc2ccccc2)c1 ZINC000092472571 472918470 /nfs/dbraw/zinc/91/84/70/472918470.db2.gz ISBCPXIHTHVDIR-GOSISDBHSA-N 0 3 345.439 2.800 20 10 EFCDHN CCOc1ccc([O-])c(C[N@@H+](C)C[C@@H](O)COCc2ccccc2)c1 ZINC000092472571 472918478 /nfs/dbraw/zinc/91/84/78/472918478.db2.gz ISBCPXIHTHVDIR-GOSISDBHSA-N 0 3 345.439 2.800 20 10 EFCDHN CS[C@H]1CCCCN(CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000134607129 472938161 /nfs/dbraw/zinc/93/81/61/472938161.db2.gz NYRNVKXHCSFAJD-KRWDZBQOSA-N 0 3 335.517 2.586 20 10 EFCDHN CCOc1cccc(CN2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1O ZINC000092704265 472968397 /nfs/dbraw/zinc/96/83/97/472968397.db2.gz GZXXVEOGBJPVEI-CQSZACIVSA-N 0 3 336.432 2.890 20 10 EFCDHN CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(OC)c2[O-])C1 ZINC000092731235 472973036 /nfs/dbraw/zinc/97/30/36/472973036.db2.gz HPMPKMFPJGXRAQ-GOEBONIOSA-N 0 3 334.460 2.918 20 10 EFCDHN CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(OC)c2[O-])C1 ZINC000092731235 472973044 /nfs/dbraw/zinc/97/30/44/472973044.db2.gz HPMPKMFPJGXRAQ-GOEBONIOSA-N 0 3 334.460 2.918 20 10 EFCDHN CCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(OCCC)cc2[O-])C1 ZINC000092734260 472974799 /nfs/dbraw/zinc/97/47/99/472974799.db2.gz NRDRCOCPLPCBSX-MRXNPFEDSA-N 0 3 334.460 2.919 20 10 EFCDHN CCCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(OCCC)cc2[O-])C1 ZINC000092734260 472974804 /nfs/dbraw/zinc/97/48/04/472974804.db2.gz NRDRCOCPLPCBSX-MRXNPFEDSA-N 0 3 334.460 2.919 20 10 EFCDHN Cn1nccc1C[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000080202405 472995408 /nfs/dbraw/zinc/99/54/08/472995408.db2.gz QGQUMPGMJADALQ-OAHLLOKOSA-N 0 3 334.851 2.533 20 10 EFCDHN C[C@H](NCc1ccc(N(C)C)c(F)c1)c1ccc(-n2cnnn2)cc1 ZINC000122474587 473019084 /nfs/dbraw/zinc/01/90/84/473019084.db2.gz HZFKFPDVZVZJRT-ZDUSSCGKSA-N 0 3 340.406 2.718 20 10 EFCDHN CCOc1cccc(C[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)c1[O-] ZINC000093134097 473048025 /nfs/dbraw/zinc/04/80/25/473048025.db2.gz YUEPXJWANBHVIU-HNNXBMFYSA-N 0 3 342.443 2.708 20 10 EFCDHN CCOc1cccc(C[N@H+]2CCC[C@H](c3nnc4n3CCC4)C2)c1[O-] ZINC000093134097 473048032 /nfs/dbraw/zinc/04/80/32/473048032.db2.gz YUEPXJWANBHVIU-HNNXBMFYSA-N 0 3 342.443 2.708 20 10 EFCDHN CCN(CC)c1ccc(CN2CC[C@H](N3CCN(CC)CC3)C2)cc1 ZINC000093133347 473049217 /nfs/dbraw/zinc/04/92/17/473049217.db2.gz PFUVQAIZYLHKKJ-NRFANRHFSA-N 0 3 344.547 2.745 20 10 EFCDHN CCOc1cccc(C[NH+]2CCC3(CC2)[C@H](O)C[C@@H]3OCC)c1[O-] ZINC000093613657 473126161 /nfs/dbraw/zinc/12/61/61/473126161.db2.gz UOQQSOPEZGBNDL-SJORKVTESA-N 0 3 335.444 2.543 20 10 EFCDHN CCOc1ccc(O)c(CNC(C)(C)C(=O)NCC2CCCC2)c1 ZINC000136031544 473129930 /nfs/dbraw/zinc/12/99/30/473129930.db2.gz VQBIUESBSMZPAI-UHFFFAOYSA-N 0 3 334.460 2.966 20 10 EFCDHN COc1cc(Br)cc(CN2CC[C@@]3(CCOC3)C2)c1O ZINC000093820039 473150123 /nfs/dbraw/zinc/15/01/23/473150123.db2.gz NBSXFTAEDZGDCW-OAHLLOKOSA-N 0 3 342.233 2.776 20 10 EFCDHN COc1cccc(C[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)c1[O-] ZINC000093842360 473151990 /nfs/dbraw/zinc/15/19/90/473151990.db2.gz VIPMHAKRURUITP-KRWDZBQOSA-N 0 3 335.444 2.951 20 10 EFCDHN [O-]c1cccc(Cl)c1CNC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000136578949 473164627 /nfs/dbraw/zinc/16/46/27/473164627.db2.gz MJXWVFQMCREFFF-AEFFLSMTSA-N 0 3 338.879 2.903 20 10 EFCDHN [O-]c1cccc(Cl)c1C[NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1 ZINC000136578949 473164631 /nfs/dbraw/zinc/16/46/31/473164631.db2.gz MJXWVFQMCREFFF-AEFFLSMTSA-N 0 3 338.879 2.903 20 10 EFCDHN Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1cc3c(cc1[O-])CCCC3)CC2 ZINC000185317898 473392784 /nfs/dbraw/zinc/39/27/84/473392784.db2.gz TZUFZLQCGUIKRK-LRDDRELGSA-N 0 3 326.444 2.837 20 10 EFCDHN CC1CCN(CCNC(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000125812754 473459513 /nfs/dbraw/zinc/45/95/13/473459513.db2.gz HAMOWYZNNPUGGW-UHFFFAOYSA-N 0 3 342.487 2.594 20 10 EFCDHN C[C@@H]1CCCN(CCNC(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000125814050 473460122 /nfs/dbraw/zinc/46/01/22/473460122.db2.gz ONLDHYNXFZIXHT-QGZVFWFLSA-N 0 3 342.487 2.594 20 10 EFCDHN COc1cc(O)c(CN2CCC(O)(c3ccccc3)CC2)cc1OC ZINC000185641145 473475969 /nfs/dbraw/zinc/47/59/69/473475969.db2.gz KTZKRZJSIODTEA-UHFFFAOYSA-N 0 3 343.423 2.893 20 10 EFCDHN C[C@H]([NH2+]Cc1cc2c(cc1[O-])OCO2)[C@@H](c1ccccc1)N(C)C ZINC000185680019 473487601 /nfs/dbraw/zinc/48/76/01/473487601.db2.gz LGNVSDPYPFRQHW-DJJJIMSYSA-N 0 3 328.412 2.902 20 10 EFCDHN Cc1nn(C)cc1[C@@H](C)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000178665427 473543378 /nfs/dbraw/zinc/54/33/78/473543378.db2.gz AZVATVRXYWYJFD-HUUCEWRRSA-N 0 3 328.460 2.977 20 10 EFCDHN Nc1ccc(CC(=O)NC2CCN(CCc3ccccc3)CC2)cc1 ZINC000178688009 473545358 /nfs/dbraw/zinc/54/53/58/473545358.db2.gz DIMAGHRTAXIUGK-UHFFFAOYSA-N 0 3 337.467 2.635 20 10 EFCDHN CCN(CC)c1ccc(CNC(=O)[C@@H](N)Cc2ccccc2)cc1 ZINC000178711454 473546061 /nfs/dbraw/zinc/54/60/61/473546061.db2.gz DYFXOWNLZAOJHE-IBGZPJMESA-N 0 3 325.456 2.719 20 10 EFCDHN CCN(CC)c1ccc(CNC(=O)C2(N)Cc3ccccc3C2)cc1 ZINC000178711653 473546309 /nfs/dbraw/zinc/54/63/09/473546309.db2.gz SVZWQETUPOXPMR-UHFFFAOYSA-N 0 3 337.467 2.645 20 10 EFCDHN CSCC[C@@H](C)N(C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000178894537 473585282 /nfs/dbraw/zinc/58/52/82/473585282.db2.gz ABXIFNICNKGCBO-OAHLLOKOSA-N 0 3 337.533 2.784 20 10 EFCDHN COc1cccc(C[NH2+]C[C@H]2CC(=O)N(Cc3ccccc3)C2)c1[O-] ZINC000179058859 473620759 /nfs/dbraw/zinc/62/07/59/473620759.db2.gz UMKTZVPQXULIFJ-MRXNPFEDSA-N 0 3 340.423 2.539 20 10 EFCDHN CCOc1ccc([O-])c(C[N@@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)c1 ZINC000179344123 473677163 /nfs/dbraw/zinc/67/71/63/473677163.db2.gz XPZJSMCDHFBVTH-OAHLLOKOSA-N 0 3 332.444 2.529 20 10 EFCDHN CCOc1ccc([O-])c(C[N@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)c1 ZINC000179344123 473677165 /nfs/dbraw/zinc/67/71/65/473677165.db2.gz XPZJSMCDHFBVTH-OAHLLOKOSA-N 0 3 332.444 2.529 20 10 EFCDHN Cc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3[O-])C2)nc1 ZINC000179559365 473694733 /nfs/dbraw/zinc/69/47/33/473694733.db2.gz AJOINSKTDNWNOD-INIZCTEOSA-N 0 3 325.412 2.946 20 10 EFCDHN Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3[O-])C2)nc1 ZINC000179559365 473694736 /nfs/dbraw/zinc/69/47/36/473694736.db2.gz AJOINSKTDNWNOD-INIZCTEOSA-N 0 3 325.412 2.946 20 10 EFCDHN O=C(Nc1ccc(F)cc1)N[C@@H]1CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000179565505 473694912 /nfs/dbraw/zinc/69/49/12/473694912.db2.gz DUGUBTZJZOKJMD-MRXNPFEDSA-N 0 3 329.375 2.927 20 10 EFCDHN O=C(Nc1ccc(F)cc1)N[C@@H]1CC[N@H+](Cc2ccccc2[O-])C1 ZINC000179565505 473694915 /nfs/dbraw/zinc/69/49/15/473694915.db2.gz DUGUBTZJZOKJMD-MRXNPFEDSA-N 0 3 329.375 2.927 20 10 EFCDHN Cc1cc(C(=O)NC2CC[NH+](Cc3ccccc3[O-])CC2)c(C)o1 ZINC000179568970 473695429 /nfs/dbraw/zinc/69/54/29/473695429.db2.gz BNTWZLHGLSGJPN-UHFFFAOYSA-N 0 3 328.412 2.996 20 10 EFCDHN COc1cc(CN2CCN(Cc3ccccc3O)CC2)cc(OC)c1 ZINC000179583840 473696893 /nfs/dbraw/zinc/69/68/93/473696893.db2.gz JGIJMYJUUNNQPG-UHFFFAOYSA-N 0 3 342.439 2.727 20 10 EFCDHN CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2cc(OC)ccc2[O-])C1 ZINC000179938412 473757768 /nfs/dbraw/zinc/75/77/68/473757768.db2.gz VZXZEBNGMYUZLW-LSDHHAIUSA-N 0 3 334.460 2.918 20 10 EFCDHN CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2cc(OC)ccc2[O-])C1 ZINC000179938412 473757778 /nfs/dbraw/zinc/75/77/78/473757778.db2.gz VZXZEBNGMYUZLW-LSDHHAIUSA-N 0 3 334.460 2.918 20 10 EFCDHN C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(Cc2cc(F)ccc2[O-])CC1 ZINC000180011631 473776843 /nfs/dbraw/zinc/77/68/43/473776843.db2.gz YCAHURPXAXCTBL-HOTGVXAUSA-N 0 3 335.467 2.522 20 10 EFCDHN CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cccc(O)c1[O-] ZINC000187153625 473825876 /nfs/dbraw/zinc/82/58/76/473825876.db2.gz MXNTVNKTFFGYGO-INIZCTEOSA-N 0 3 340.423 2.692 20 10 EFCDHN CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cccc(O)c1[O-] ZINC000187153625 473825883 /nfs/dbraw/zinc/82/58/83/473825883.db2.gz MXNTVNKTFFGYGO-INIZCTEOSA-N 0 3 340.423 2.692 20 10 EFCDHN COc1cc(O)c(CN2CCSC3(CCOCC3)C2)cc1OC ZINC000274516284 473859129 /nfs/dbraw/zinc/85/91/29/473859129.db2.gz NYUAWAAAKOFPMI-UHFFFAOYSA-N 0 3 339.457 2.507 20 10 EFCDHN COc1cc([O-])c(C[N@@H+]2CCSC3(CCOCC3)C2)cc1OC ZINC000274516284 473859134 /nfs/dbraw/zinc/85/91/34/473859134.db2.gz NYUAWAAAKOFPMI-UHFFFAOYSA-N 0 3 339.457 2.507 20 10 EFCDHN COc1cc([O-])c(C[N@H+]2CCSC3(CCOCC3)C2)cc1OC ZINC000274516284 473859138 /nfs/dbraw/zinc/85/91/38/473859138.db2.gz NYUAWAAAKOFPMI-UHFFFAOYSA-N 0 3 339.457 2.507 20 10 EFCDHN COC[C@@H](O)CC[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-] ZINC000187412679 473869574 /nfs/dbraw/zinc/86/95/74/473869574.db2.gz GHHFHCZUIRRHCF-JQWIXIFHSA-N 0 3 332.238 2.511 20 10 EFCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CCCOCCO)c1[O-] ZINC000187535204 473883148 /nfs/dbraw/zinc/88/31/48/473883148.db2.gz NLFOWHJIWKQWGR-LLVKDONJSA-N 0 3 332.238 2.513 20 10 EFCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H](C)C(=O)NCCF)c1[O-] ZINC000281933043 473889797 /nfs/dbraw/zinc/88/97/97/473889797.db2.gz BACHLFLLRBCFKM-VHSXEESVSA-N 0 3 347.228 2.588 20 10 EFCDHN COc1ccc([O-])c(C[NH+]2CCC(OC[C@H]3CCCCO3)CC2)c1 ZINC000180629533 473923794 /nfs/dbraw/zinc/92/37/94/473923794.db2.gz GAKPSXVXZICDIS-GOSISDBHSA-N 0 3 335.444 2.951 20 10 EFCDHN CC[C@@H]([NH2+]CCc1nc(C)n[nH]1)c1cc(Br)ccc1[O-] ZINC000274817007 473971135 /nfs/dbraw/zinc/97/11/35/473971135.db2.gz ZNSQTERIYAHQPD-GFCCVEGCSA-N 0 3 339.237 2.865 20 10 EFCDHN CC[C@@H]([NH2+]CCc1n[nH]c(C)n1)c1cc(Br)ccc1[O-] ZINC000274817007 473971141 /nfs/dbraw/zinc/97/11/41/473971141.db2.gz ZNSQTERIYAHQPD-GFCCVEGCSA-N 0 3 339.237 2.865 20 10 EFCDHN O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1cccc(O)c1[O-] ZINC000188163297 474005842 /nfs/dbraw/zinc/00/58/42/474005842.db2.gz PZLCRRQHUMONTF-UHFFFAOYSA-N 0 3 326.396 2.624 20 10 EFCDHN COCCN1CC[C@@H]([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000264611856 474059060 /nfs/dbraw/zinc/05/90/60/474059060.db2.gz PRAOAFJKPNSHMH-LJQANCHMSA-N 0 3 326.440 2.870 20 10 EFCDHN CCOc1cccc(C[N@@H+]2CCC[C@@H](Cc3nccn3C)C2)c1[O-] ZINC000182088863 474097705 /nfs/dbraw/zinc/09/77/05/474097705.db2.gz NNCAABLSMGELGM-HNNXBMFYSA-N 0 3 329.444 2.979 20 10 EFCDHN CCOc1cccc(C[N@H+]2CCC[C@@H](Cc3nccn3C)C2)c1[O-] ZINC000182088863 474097711 /nfs/dbraw/zinc/09/77/11/474097711.db2.gz NNCAABLSMGELGM-HNNXBMFYSA-N 0 3 329.444 2.979 20 10 EFCDHN COc1cc(O)c(CN[C@@H](C[S@](C)=O)c2ccccc2)cc1OC ZINC000182095508 474098836 /nfs/dbraw/zinc/09/88/36/474098836.db2.gz CMHQEHMYYZOFAT-OWJWWREXSA-N 0 3 349.452 2.619 20 10 EFCDHN Cc1ccc([C@H](C[NH2+]Cc2cccc(C)c2[O-])N2CCOCC2)o1 ZINC000182124955 474105500 /nfs/dbraw/zinc/10/55/00/474105500.db2.gz TVWWOBLSUNSOJM-KRWDZBQOSA-N 0 3 330.428 2.765 20 10 EFCDHN Cc1ccc([C@@H](C[NH2+]Cc2cccc(C)c2[O-])N2CCOCC2)o1 ZINC000182124976 474105568 /nfs/dbraw/zinc/10/55/68/474105568.db2.gz TVWWOBLSUNSOJM-QGZVFWFLSA-N 0 3 330.428 2.765 20 10 EFCDHN COc1cc([O-])c(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000182195945 474120059 /nfs/dbraw/zinc/12/00/59/474120059.db2.gz DGGLFGAVQIYYQS-UHFFFAOYSA-N 0 3 332.356 2.650 20 10 EFCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@H](O)COc2cccc(C)c2)c1 ZINC000182340181 474153818 /nfs/dbraw/zinc/15/38/18/474153818.db2.gz PDJGEKBXYNJKKO-LSDHHAIUSA-N 0 3 331.412 2.800 20 10 EFCDHN COc1ccc([O-])c([C@H](C)[NH2+]CCCS(=O)(=O)c2ccccc2)c1 ZINC000182368559 474159480 /nfs/dbraw/zinc/15/94/80/474159480.db2.gz WFYIXINZWGTELM-AWEZNQCLSA-N 0 3 349.452 2.915 20 10 EFCDHN CN(C)c1ccc(CN(C(=O)NCCN(C)C2CC2)C2CC2)cc1 ZINC000264889670 474159659 /nfs/dbraw/zinc/15/96/59/474159659.db2.gz SELNZHIMGMQGCE-UHFFFAOYSA-N 0 3 330.476 2.521 20 10 EFCDHN CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-] ZINC000275369434 474161432 /nfs/dbraw/zinc/16/14/32/474161432.db2.gz VKGLFANPVIKADK-VHSXEESVSA-N 0 3 329.238 2.638 20 10 EFCDHN CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-] ZINC000275369426 474161547 /nfs/dbraw/zinc/16/15/47/474161547.db2.gz VKGLFANPVIKADK-NXEZZACHSA-N 0 3 329.238 2.638 20 10 EFCDHN COc1cccc(C[NH2+][C@H](CO)Cc2c[nH]c3ccccc23)c1[O-] ZINC000265277600 474171895 /nfs/dbraw/zinc/17/18/95/474171895.db2.gz WEXPSDRPIHGLRR-HNNXBMFYSA-N 0 3 326.396 2.575 20 10 EFCDHN COCCn1cc(CN[C@@H](C)c2cc3c(cc2O)CCCC3)cn1 ZINC000282763540 474184416 /nfs/dbraw/zinc/18/44/16/474184416.db2.gz OLBLSHWINGVROB-AWEZNQCLSA-N 0 3 329.444 2.965 20 10 EFCDHN CCOc1ccc([O-])c(C[NH2+][C@H]2CCCO[C@@H]2c2nccn2C)c1 ZINC000275521233 474220655 /nfs/dbraw/zinc/22/06/55/474220655.db2.gz LCTZFCJHMRRQBU-RDJZCZTQSA-N 0 3 331.416 2.534 20 10 EFCDHN CCO[C@@H]1C[C@@](CO)([NH2+]Cc2cc(Cl)cc(OC)c2[O-])C1(C)C ZINC000188902709 474228726 /nfs/dbraw/zinc/22/87/26/474228726.db2.gz GVSILTIGFTZQFU-PBHICJAKSA-N 0 3 343.851 2.710 20 10 EFCDHN CCO[C@@H]1C[C@](CO)([NH2+]Cc2cc(Cl)cc(OC)c2[O-])C1(C)C ZINC000188902752 474229234 /nfs/dbraw/zinc/22/92/34/474229234.db2.gz GVSILTIGFTZQFU-RHSMWYFYSA-N 0 3 343.851 2.710 20 10 EFCDHN C[C@@H]1C[N@H+](Cc2c([O-])ccc3ccccc32)CCN1CC(C)(C)O ZINC000188966499 474248621 /nfs/dbraw/zinc/24/86/21/474248621.db2.gz UFVCIRHIEJCDTH-OAHLLOKOSA-N 0 3 328.456 2.822 20 10 EFCDHN C[C@@H]1C[N@@H+](Cc2c([O-])ccc3ccccc32)CCN1CC(C)(C)O ZINC000188966499 474248628 /nfs/dbraw/zinc/24/86/28/474248628.db2.gz UFVCIRHIEJCDTH-OAHLLOKOSA-N 0 3 328.456 2.822 20 10 EFCDHN COc1cccc(CNCc2cc(C)nc(N3CCCC3)c2)c1O ZINC000289411055 474258053 /nfs/dbraw/zinc/25/80/53/474258053.db2.gz AGTVGPVGTGBACB-UHFFFAOYSA-N 0 3 327.428 2.994 20 10 EFCDHN CCCOc1ccc(CNCc2ccc(OC)nc2OC)c(O)c1 ZINC000289433141 474268460 /nfs/dbraw/zinc/26/84/60/474268460.db2.gz AAFKXOFWACNWHX-UHFFFAOYSA-N 0 3 332.400 2.883 20 10 EFCDHN COc1cc([O-])c(C[NH2+]C[C@@H](O)c2cc(C)cc(C)c2)cc1OC ZINC000282999540 474268748 /nfs/dbraw/zinc/26/87/48/474268748.db2.gz KQJXKTBBFOUWOX-QGZVFWFLSA-N 0 3 331.412 2.849 20 10 EFCDHN COC(=O)[C@H](C)Oc1ccc(CNCc2cccc(OC)c2O)cc1 ZINC000289443145 474273253 /nfs/dbraw/zinc/27/32/53/474273253.db2.gz MCKZGXVBXHUGAR-ZDUSSCGKSA-N 0 3 345.395 2.631 20 10 EFCDHN COC(=O)[C@H](C)Oc1ccc(C[NH2+]Cc2cccc(OC)c2[O-])cc1 ZINC000289443145 474273263 /nfs/dbraw/zinc/27/32/63/474273263.db2.gz MCKZGXVBXHUGAR-ZDUSSCGKSA-N 0 3 345.395 2.631 20 10 EFCDHN COc1ccc(C[C@H](CO)C[NH2+]Cc2cc(C)c(C)cc2[O-])cc1O ZINC000289449845 474276800 /nfs/dbraw/zinc/27/68/00/474276800.db2.gz NAJWPAWJYWURFF-INIZCTEOSA-N 0 3 345.439 2.664 20 10 EFCDHN CCCOc1ccc(CN(CCCO)Cc2ccccn2)c(O)c1 ZINC000289466262 474284081 /nfs/dbraw/zinc/28/40/81/474284081.db2.gz OZDFLYILLSXGNG-UHFFFAOYSA-N 0 3 330.428 2.961 20 10 EFCDHN Cc1ccc(C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c([O-])c1O ZINC000182911649 474285114 /nfs/dbraw/zinc/28/51/14/474285114.db2.gz IGSSNMRWMGROFV-ZIAGYGMSSA-N 0 3 332.444 2.789 20 10 EFCDHN Cc1ccc(C(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c([O-])c1O ZINC000182911649 474285116 /nfs/dbraw/zinc/28/51/16/474285116.db2.gz IGSSNMRWMGROFV-ZIAGYGMSSA-N 0 3 332.444 2.789 20 10 EFCDHN CCOc1ccc(O)c(CN2CC[C@H](C(F)(F)F)[C@H](CO)C2)c1 ZINC000289640884 474357978 /nfs/dbraw/zinc/35/79/78/474357978.db2.gz MHUROPOSTGUXMH-JSGCOSHPSA-N 0 3 333.350 2.784 20 10 EFCDHN CC(C)[C@H](C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)N1CCCCC1 ZINC000183448461 474380446 /nfs/dbraw/zinc/38/04/46/474380446.db2.gz CPQDZGASXLLJQT-KBXCAEBGSA-N 0 3 334.460 2.656 20 10 EFCDHN CCN(CC)c1ccc(CN[C@@H]2CCC[C@@H](S(C)(=O)=O)C2)cc1 ZINC000265903774 474380671 /nfs/dbraw/zinc/38/06/71/474380671.db2.gz VWAZTYJKSQDNKW-SJLPKXTDSA-N 0 3 338.517 2.978 20 10 EFCDHN Cc1cc(C(=O)NCC2(N(C)C)CCC2)c(C)n1-c1ccccn1 ZINC000275989723 474381802 /nfs/dbraw/zinc/38/18/02/474381802.db2.gz NKLSJXQKSIJTQI-UHFFFAOYSA-N 0 3 326.444 2.703 20 10 EFCDHN C[C@H]([NH2+]CCN1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1[O-] ZINC000183492379 474386015 /nfs/dbraw/zinc/38/60/15/474386015.db2.gz WKQBAEUMSNVBFK-HNNXBMFYSA-N 0 3 349.475 2.596 20 10 EFCDHN CN(C)c1ccc(CN2CCC[C@H](C(=O)NCC3CC3)C2)cc1F ZINC000271070899 474395103 /nfs/dbraw/zinc/39/51/03/474395103.db2.gz LTRKAOUDYLYEML-INIZCTEOSA-N 0 3 333.451 2.630 20 10 EFCDHN CC(C)OC1CC(NCc2ccc(N3CCC(O)CC3)c(F)c2)C1 ZINC000189524745 474432360 /nfs/dbraw/zinc/43/23/60/474432360.db2.gz RHBARUVEEOTDAJ-UHFFFAOYSA-N 0 3 336.451 2.832 20 10 EFCDHN CCCOc1ccc(C[NH+]2CCC(Cn3cncn3)CC2)c([O-])c1 ZINC000189970031 474521507 /nfs/dbraw/zinc/52/15/07/474521507.db2.gz MNOZWCVIELMXNF-UHFFFAOYSA-N 0 3 330.432 2.685 20 10 EFCDHN CC(C)S(=O)(=O)CCN[C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000290353200 474567993 /nfs/dbraw/zinc/56/79/93/474567993.db2.gz QFHSQOZGEPSTAP-ZDUSSCGKSA-N 0 3 325.474 2.745 20 10 EFCDHN COc1ccc(O)c(CN[C@@H]2CCCN(C3CCCCC3)C2=O)c1 ZINC000276713374 474570135 /nfs/dbraw/zinc/57/01/35/474570135.db2.gz GYFXILBFJKTCPS-QGZVFWFLSA-N 0 3 332.444 2.814 20 10 EFCDHN Cc1ccc([O-])c(C[N@@H+](C)C[C@@]2(O)CCN(Cc3ccccc3)C2)c1 ZINC000190322409 474579452 /nfs/dbraw/zinc/57/94/52/474579452.db2.gz MUVUNEQVAFZASK-NRFANRHFSA-N 0 3 340.467 2.769 20 10 EFCDHN Cc1ccc([O-])c(C[N@H+](C)C[C@@]2(O)CCN(Cc3ccccc3)C2)c1 ZINC000190322409 474579458 /nfs/dbraw/zinc/57/94/58/474579458.db2.gz MUVUNEQVAFZASK-NRFANRHFSA-N 0 3 340.467 2.769 20 10 EFCDHN C[C@@H]([NH2+]C1CCN(S(=O)(=O)C(C)(C)C)CC1)c1ccccc1[O-] ZINC000277235782 474580336 /nfs/dbraw/zinc/58/03/36/474580336.db2.gz NTMRIJZNLURUAN-CYBMUJFWSA-N 0 3 340.489 2.636 20 10 EFCDHN C[C@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CCO1)c1ccccc1[O-] ZINC000271649447 474583265 /nfs/dbraw/zinc/58/32/65/474583265.db2.gz IRVJINZAUBTCEB-FUHWJXTLSA-N 0 3 326.440 2.944 20 10 EFCDHN CS(=O)(=O)[C@H]1CCCC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000277479951 474587396 /nfs/dbraw/zinc/58/73/96/474587396.db2.gz BLMRPLDYHCFZSI-HNNXBMFYSA-N 0 3 333.453 2.945 20 10 EFCDHN CS(=O)(=O)[C@H]1CCCC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000277479951 474587400 /nfs/dbraw/zinc/58/74/00/474587400.db2.gz BLMRPLDYHCFZSI-HNNXBMFYSA-N 0 3 333.453 2.945 20 10 EFCDHN CC[C@H]([NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2)c1ccccc1[O-] ZINC000271729420 474587954 /nfs/dbraw/zinc/58/79/54/474587954.db2.gz SBWBHIQJPLQRPW-CJNGLKHVSA-N 0 3 345.395 2.602 20 10 EFCDHN CCOc1cccc(C[NH2+]CCOCC(F)(F)C(F)F)c1[O-] ZINC000277515707 474589251 /nfs/dbraw/zinc/58/92/51/474589251.db2.gz RROIRAJOQLSQKN-UHFFFAOYSA-N 0 3 325.302 2.798 20 10 EFCDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](Cn3ccnn3)C2)c1[O-] ZINC000184703514 474589862 /nfs/dbraw/zinc/58/98/62/474589862.db2.gz VBNHXUAXDMRNCX-GFCCVEGCSA-N 0 3 336.823 2.558 20 10 EFCDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@@H](Cn3ccnn3)C2)c1[O-] ZINC000184703514 474589868 /nfs/dbraw/zinc/58/98/68/474589868.db2.gz VBNHXUAXDMRNCX-GFCCVEGCSA-N 0 3 336.823 2.558 20 10 EFCDHN COc1cc(Cl)cc(C[NH2+]C[C@]2(O)CCc3ccccc32)c1[O-] ZINC000184710293 474592150 /nfs/dbraw/zinc/59/21/50/474592150.db2.gz SUXSNOCDSWBBLQ-GOSISDBHSA-N 0 3 333.815 2.978 20 10 EFCDHN COc1ccc(O)c([C@@H](C)N[C@H]2CC(=O)N(c3ccccc3F)C2)c1 ZINC000291132296 474595127 /nfs/dbraw/zinc/59/51/27/474595127.db2.gz FALJGGUYBRQCNZ-OLZOCXBDSA-N 0 3 344.386 2.996 20 10 EFCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCn2cc(Br)cn2)c1 ZINC000271823784 474595370 /nfs/dbraw/zinc/59/53/70/474595370.db2.gz OCNOULYIMNQFHI-SNVBAGLBSA-N 0 3 340.221 2.711 20 10 EFCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@H](O)c2cc(OC)ccc2OC)c1 ZINC000271852234 474596697 /nfs/dbraw/zinc/59/66/97/474596697.db2.gz RLKHBOHGJDJOEB-KPZWWZAWSA-N 0 3 347.411 2.802 20 10 EFCDHN Nc1c(Cl)cc(N2C(=O)NC(CC(F)(F)F)C2=O)cc1Cl ZINC000277873498 474597373 /nfs/dbraw/zinc/59/73/73/474597373.db2.gz BBSBJVSHVFWDDP-SSDOTTSWSA-N 0 3 342.104 2.953 20 10 EFCDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000272095028 474602564 /nfs/dbraw/zinc/60/25/64/474602564.db2.gz FEJUZQGJLKROKS-OAHLLOKOSA-N 0 3 332.492 2.624 20 10 EFCDHN COc1c([O-])c(CN(C)CC[C@@H]2CCCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000278202711 474603710 /nfs/dbraw/zinc/60/37/10/474603710.db2.gz JIWJMPPAMCSUEL-AWEZNQCLSA-N 0 3 337.420 2.615 20 10 EFCDHN COc1c([O-])c(CN(C)CC[C@@H]2CCCC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000278202711 474603713 /nfs/dbraw/zinc/60/37/13/474603713.db2.gz JIWJMPPAMCSUEL-AWEZNQCLSA-N 0 3 337.420 2.615 20 10 EFCDHN COc1c([O-])c(C[N@H+](C)CC[C@@H]2CCCCN2C)ccc1[N+](=O)[O-] ZINC000278202711 474603719 /nfs/dbraw/zinc/60/37/19/474603719.db2.gz JIWJMPPAMCSUEL-AWEZNQCLSA-N 0 3 337.420 2.615 20 10 EFCDHN COc1c([O-])c(C[N@@H+](C)CC[C@@H]2CCCCN2C)ccc1[N+](=O)[O-] ZINC000278202711 474603724 /nfs/dbraw/zinc/60/37/24/474603724.db2.gz JIWJMPPAMCSUEL-AWEZNQCLSA-N 0 3 337.420 2.615 20 10 EFCDHN COCCSCCCN1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000278344004 474615680 /nfs/dbraw/zinc/61/56/80/474615680.db2.gz FZBPFJXDMLCWQC-UHFFFAOYSA-N 0 3 342.480 2.726 20 10 EFCDHN COc1cccc(CN2CCC(Oc3ncccc3F)CC2)c1O ZINC000278369309 474624722 /nfs/dbraw/zinc/62/47/22/474624722.db2.gz ZIGKRIVYRPTAHY-UHFFFAOYSA-N 0 3 332.375 2.978 20 10 EFCDHN COc1cc([O-])c(C[NH2+]C[C@@]2(CO)C[C@@H]2c2ccccc2)cc1OC ZINC000291592396 474626654 /nfs/dbraw/zinc/62/66/54/474626654.db2.gz PZFAKWMNVMQUOZ-OXQOHEQNSA-N 0 3 343.423 2.665 20 10 EFCDHN COc1ccc(O)c(CNCc2cc(C)nc(N3CCCC3)c2)c1 ZINC000291680674 474647777 /nfs/dbraw/zinc/64/77/77/474647777.db2.gz XFUOVJISNBAIAF-UHFFFAOYSA-N 0 3 327.428 2.994 20 10 EFCDHN C[C@@H]([NH2+]CC1(N2CCOCC2)CC1)c1cc2c(cc1[O-])CCCC2 ZINC000278506293 474667350 /nfs/dbraw/zinc/66/73/50/474667350.db2.gz RAUWBXFZGBCUQB-OAHLLOKOSA-N 0 3 330.472 2.786 20 10 EFCDHN COc1cccc(C[NH2+]Cc2cccc(N3CCOCC3)c2)c1[O-] ZINC000292959583 474735352 /nfs/dbraw/zinc/73/53/52/474735352.db2.gz LGKUJOKSEGSYCO-UHFFFAOYSA-N 0 3 328.412 2.527 20 10 EFCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+][C@@]1(CCO)CCOC1 ZINC000278637722 474750219 /nfs/dbraw/zinc/75/02/19/474750219.db2.gz IRZAXVZKLSZQKO-FQEVSTJZSA-N 0 3 343.423 2.602 20 10 EFCDHN COc1ccc(O)c(CN2CCC[C@@H](Oc3ncccc3F)C2)c1 ZINC000278721021 474795251 /nfs/dbraw/zinc/79/52/51/474795251.db2.gz QLXBVEFGEYNVBO-OAHLLOKOSA-N 0 3 332.375 2.978 20 10 EFCDHN COc1ccc(O)c([C@H](C)NCCS(=O)(=O)Cc2ccccc2)c1 ZINC000273302345 474831615 /nfs/dbraw/zinc/83/16/15/474831615.db2.gz BSCUJJYLKIOKEW-AWEZNQCLSA-N 0 3 349.452 2.666 20 10 EFCDHN C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)nc1)c1cc(F)ccc1[O-] ZINC000273299151 474832037 /nfs/dbraw/zinc/83/20/37/474832037.db2.gz AUPCMAPMAHVMHW-CYBMUJFWSA-N 0 3 331.391 2.614 20 10 EFCDHN COc1ccc([C@@H](CN(C)C)NCc2cc(OC)ccc2O)cc1 ZINC000284980201 474850530 /nfs/dbraw/zinc/85/05/30/474850530.db2.gz IODNJCLRBMEDAX-GOSISDBHSA-N 0 3 330.428 2.802 20 10 EFCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]Cc2ccc(NS(C)(=O)=O)cc2)c1 ZINC000273364678 474861596 /nfs/dbraw/zinc/86/15/96/474861596.db2.gz DQEZZTUQYPENBK-CYBMUJFWSA-N 0 3 334.441 2.923 20 10 EFCDHN COc1cc([O-])c(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])cc1OC ZINC000285021525 474865863 /nfs/dbraw/zinc/86/58/63/474865863.db2.gz HPLIKCAOCSGRHG-UHFFFAOYSA-N 0 3 346.383 2.992 20 10 EFCDHN COc1cc([O-])c(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])cc1OC ZINC000285021525 474865870 /nfs/dbraw/zinc/86/58/70/474865870.db2.gz HPLIKCAOCSGRHG-UHFFFAOYSA-N 0 3 346.383 2.992 20 10 EFCDHN CCCNC(=O)CN1CCC([NH2+][C@@H](C)c2ccc(C)c(C)c2[O-])CC1 ZINC000273398430 474878096 /nfs/dbraw/zinc/87/80/96/474878096.db2.gz MOWJVIHLTYUJQA-INIZCTEOSA-N 0 3 347.503 2.650 20 10 EFCDHN Cc1cc(C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)c(C)n1-c1ccccn1 ZINC000268238818 474880248 /nfs/dbraw/zinc/88/02/48/474880248.db2.gz OKPOERWMBFJJGH-SCLBCKFNSA-N 0 3 338.455 2.702 20 10 EFCDHN COc1cc(O)c(CN2CCC[C@@](O)(C(F)(F)F)CC2)cc1OC ZINC000285237473 474940734 /nfs/dbraw/zinc/94/07/34/474940734.db2.gz VWRRHWKWWUPMIB-HNNXBMFYSA-N 0 3 349.349 2.689 20 10 EFCDHN C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cc1c([O-])ccc2ccccc21 ZINC000285266955 474950616 /nfs/dbraw/zinc/95/06/16/474950616.db2.gz YILPVDFBBRBPBO-WBVHZDCISA-N 0 3 326.440 2.840 20 10 EFCDHN C[C@@H]1C[C@H](N2CCOCC2)C[N@H+]1Cc1c([O-])ccc2ccccc21 ZINC000285266955 474950623 /nfs/dbraw/zinc/95/06/23/474950623.db2.gz YILPVDFBBRBPBO-WBVHZDCISA-N 0 3 326.440 2.840 20 10 EFCDHN CCCOc1ccc(C[NH2+][C@@H]2C[C@@H](OCC)[C@@]23CCCO3)c([O-])c1 ZINC000273568894 474967496 /nfs/dbraw/zinc/96/74/96/474967496.db2.gz GGOXRMOOSSBRCE-GUDVDZBRSA-N 0 3 335.444 2.997 20 10 EFCDHN CCCOc1ccc(C[NH2+][C@@H]2C[C@H](OCC)[C@]23CCCO3)c([O-])c1 ZINC000273568897 474969568 /nfs/dbraw/zinc/96/95/68/474969568.db2.gz GGOXRMOOSSBRCE-QYZOEREBSA-N 0 3 335.444 2.997 20 10 EFCDHN C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cccc(O)c1[O-] ZINC000279425100 474974864 /nfs/dbraw/zinc/97/48/64/474974864.db2.gz YQYMDIZTGFTUNE-RHSMWYFYSA-N 0 3 340.423 2.738 20 10 EFCDHN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cccc(O)c1[O-] ZINC000279425100 474974872 /nfs/dbraw/zinc/97/48/72/474974872.db2.gz YQYMDIZTGFTUNE-RHSMWYFYSA-N 0 3 340.423 2.738 20 10 EFCDHN Cc1ccc([C@@H](C)[NH2+]CCCN2CCC[C@@H]2C(=O)N(C)C)c([O-])c1C ZINC000273604020 474986878 /nfs/dbraw/zinc/98/68/78/474986878.db2.gz SOEZMHSRAWLFMH-SJLPKXTDSA-N 0 3 347.503 2.602 20 10 EFCDHN CC(C)C(=O)NCCNCc1ccc(N(C)C)cc1C(F)(F)F ZINC000279801772 474993364 /nfs/dbraw/zinc/99/33/64/474993364.db2.gz DTLAWUGKQNXFEB-UHFFFAOYSA-N 0 3 331.382 2.633 20 10 EFCDHN CN(C)c1ccc(CN[C@H]2CCCCNC2=O)c(C(F)(F)F)c1 ZINC000279840971 474996069 /nfs/dbraw/zinc/99/60/69/474996069.db2.gz HQCGUVHNXHZSFP-AWEZNQCLSA-N 0 3 329.366 2.530 20 10 EFCDHN CCCCOC[C@@H](O)C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000279982557 475003015 /nfs/dbraw/zinc/00/30/15/475003015.db2.gz JVBUBPOYGXHWGX-ZWKOTPCHSA-N 0 3 337.460 2.551 20 10 EFCDHN CCCCOC[C@@H](O)C[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000279982557 475003022 /nfs/dbraw/zinc/00/30/22/475003022.db2.gz JVBUBPOYGXHWGX-ZWKOTPCHSA-N 0 3 337.460 2.551 20 10 EFCDHN CC[C@@H]([NH2+][C@@H](CC(C)C)C(=O)NCCOC)c1ccc(C)cc1[O-] ZINC000280093892 475009620 /nfs/dbraw/zinc/00/96/20/475009620.db2.gz MQPCFQHLAWWRSN-SJORKVTESA-N 0 3 336.476 2.919 20 10 EFCDHN CCCN(CCC)c1ccc(CNCC(=O)NCC(F)F)cc1 ZINC000280288984 475018867 /nfs/dbraw/zinc/01/88/67/475018867.db2.gz MLVDNUBIUJDVMG-UHFFFAOYSA-N 0 3 327.419 2.784 20 10 EFCDHN Cc1cc(CN[C@H](C(N)=O)[C@@H](C)c2ccccc2)ccc1N(C)C ZINC000293529515 475024693 /nfs/dbraw/zinc/02/46/93/475024693.db2.gz JGWIWWFDTDZPPM-KXBFYZLASA-N 0 3 325.456 2.808 20 10 EFCDHN CCOc1ccc([O-])c(C[NH2+]CCn2cc(Br)cn2)c1 ZINC000285546793 475029469 /nfs/dbraw/zinc/02/94/69/475029469.db2.gz RBYFOBKVSZJRRP-UHFFFAOYSA-N 0 3 340.221 2.540 20 10 EFCDHN C[C@@H](NC[C@@H](N1CCOCC1)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000285718273 475038804 /nfs/dbraw/zinc/03/88/04/475038804.db2.gz PXTPBRZVOANWHU-CZUORRHYSA-N 0 3 345.409 2.666 20 10 EFCDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@@H](N2CCOCC2)C(F)(F)F)c1 ZINC000285773395 475041162 /nfs/dbraw/zinc/04/11/62/475041162.db2.gz UDQNCPRWAXXWNA-SWLSCSKDSA-N 0 3 332.366 2.614 20 10 EFCDHN COc1cc(O)c(CN[C@H](c2cccnc2)C(C)(C)CO)cc1OC ZINC000293708905 475048154 /nfs/dbraw/zinc/04/81/54/475048154.db2.gz SGCSQLJUUXQCRX-GOSISDBHSA-N 0 3 346.427 2.654 20 10 EFCDHN CCC[C@@H](C)C(=O)NCC[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000293787162 475053855 /nfs/dbraw/zinc/05/38/55/475053855.db2.gz CDQXRTKSEWNWJA-LLVKDONJSA-N 0 3 328.840 2.696 20 10 EFCDHN CCS[C@H]1CCC[C@H]1NCC(=O)NCc1ccc(N(C)C)cc1 ZINC000286236743 475057710 /nfs/dbraw/zinc/05/77/10/475057710.db2.gz RRJOKLADYIYJPT-SJORKVTESA-N 0 3 335.517 2.633 20 10 EFCDHN COc1cc([N+](=O)[O-])c(N2C[C@@H](N3CCCC3)C[C@H]2C)cc1OC ZINC000286457484 475066477 /nfs/dbraw/zinc/06/64/77/475066477.db2.gz UQVQZILQUJCSSJ-OLZOCXBDSA-N 0 3 335.404 2.675 20 10 EFCDHN COc1ccc(O)c(CN(Cc2cccc(C(N)=O)c2)C2CC2)c1 ZINC000294828371 475084422 /nfs/dbraw/zinc/08/44/22/475084422.db2.gz PTBNUYPMUNJCFQ-UHFFFAOYSA-N 0 3 326.396 2.664 20 10 EFCDHN COc1cc([N+](=O)[O-])c(N2CCN(C3CC3)C[C@H](C)C2)cc1OC ZINC000294957938 475094036 /nfs/dbraw/zinc/09/40/36/475094036.db2.gz NBZFRZXFYFQPQD-LBPRGKRZSA-N 0 3 335.404 2.533 20 10 EFCDHN Cc1cc([O-])c(C[NH2+]C2CCC(CS(C)(=O)=O)CC2)cc1C ZINC000295094245 475104287 /nfs/dbraw/zinc/10/42/87/475104287.db2.gz JQDPQHHSGBQLKF-UHFFFAOYSA-N 0 3 325.474 2.702 20 10 EFCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c1 ZINC000295125043 475105789 /nfs/dbraw/zinc/10/57/89/475105789.db2.gz NWBIHPQLIZORNC-ZYIUAKIQSA-N 0 3 348.443 2.917 20 10 EFCDHN O=C(N1CCCC1)N1CCC[C@H]([NH2+][C@H]2CCc3cccc([O-])c32)C1 ZINC000297436602 475757474 /nfs/dbraw/zinc/75/74/74/475757474.db2.gz VSNIUHWJNBPADY-HOTGVXAUSA-N 0 3 329.444 2.649 20 10 EFCDHN Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000349702866 475988318 /nfs/dbraw/zinc/98/83/18/475988318.db2.gz NMTZYTDETNGJFO-DZGCQCFKSA-N 0 3 340.471 2.911 20 10 EFCDHN CCOc1cccc(C[NH2+]Cc2ccccc2Cn2cncn2)c1[O-] ZINC000299592652 476146060 /nfs/dbraw/zinc/14/60/60/476146060.db2.gz PIMPISIAYUFKDU-UHFFFAOYSA-N 0 3 338.411 2.721 20 10 EFCDHN CCOc1cccc(CNCc2ccccc2Cn2cncn2)c1O ZINC000299592652 476146063 /nfs/dbraw/zinc/14/60/63/476146063.db2.gz PIMPISIAYUFKDU-UHFFFAOYSA-N 0 3 338.411 2.721 20 10 EFCDHN NC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1ccc(N2CCCCC2)cc1 ZINC000368973034 476381411 /nfs/dbraw/zinc/38/14/11/476381411.db2.gz IJONNXROCSMBMM-UHOSZYNNSA-N 0 3 327.472 2.763 20 10 EFCDHN NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1Cc1ccc(N2CCCCC2)cc1 ZINC000368973035 476381606 /nfs/dbraw/zinc/38/16/06/476381606.db2.gz IJONNXROCSMBMM-WDSOQIARSA-N 0 3 327.472 2.763 20 10 EFCDHN Cc1cc(Br)cc(CN2CC([C@H]3CCOC3)C2)c1O ZINC000373466698 476404430 /nfs/dbraw/zinc/40/44/30/476404430.db2.gz PEJBUPPZSCXUPU-NSHDSACASA-N 0 3 326.234 2.931 20 10 EFCDHN CN(C)c1ccc(CN2CC[C@]3(C2)c2ccccc2NC3=O)cc1F ZINC000373531364 476413025 /nfs/dbraw/zinc/41/30/25/476413025.db2.gz DVJDRDLOEARCHL-FQEVSTJZSA-N 0 3 339.414 2.988 20 10 EFCDHN CN(C)c1ccc(CN2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)cc1F ZINC000374254316 476463831 /nfs/dbraw/zinc/46/38/31/476463831.db2.gz DHWSADLJDOBALB-VQIMIIECSA-N 0 3 346.450 2.713 20 10 EFCDHN CN(Cc1c([O-])cccc1Cl)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000377624439 476482490 /nfs/dbraw/zinc/48/24/90/476482490.db2.gz JSJYVPHDCOLVAX-HNNXBMFYSA-N 0 3 337.895 2.646 20 10 EFCDHN CN(Cc1c([O-])cccc1Cl)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000377624439 476482494 /nfs/dbraw/zinc/48/24/94/476482494.db2.gz JSJYVPHDCOLVAX-HNNXBMFYSA-N 0 3 337.895 2.646 20 10 EFCDHN CCCC[N@H+](Cc1ccccc1[O-])[C@H]1CCN(C2CCOCC2)C1=O ZINC000374618830 476491961 /nfs/dbraw/zinc/49/19/61/476491961.db2.gz MPUMOUVGXBBGAK-SFHVURJKSA-N 0 3 346.471 2.774 20 10 EFCDHN CCCC[N@@H+](Cc1ccccc1[O-])[C@H]1CCN(C2CCOCC2)C1=O ZINC000374618830 476491969 /nfs/dbraw/zinc/49/19/69/476491969.db2.gz MPUMOUVGXBBGAK-SFHVURJKSA-N 0 3 346.471 2.774 20 10 EFCDHN O=C1C[C@H]([NH2+]Cc2cc(F)ccc2[O-])CN1[C@@H]1C[C@H]1c1ccccc1 ZINC000374899391 476580534 /nfs/dbraw/zinc/58/05/34/476580534.db2.gz RVLOBCXQMYBRJR-OKZBNKHCSA-N 0 3 340.398 2.778 20 10 EFCDHN COc1ccc([O-])c(C[N@@H+]2CC[C@@](CO)(Cc3ccc(F)cc3)C2)c1 ZINC000377851144 476612730 /nfs/dbraw/zinc/61/27/30/476612730.db2.gz IQRSSXRGCZQEEX-HXUWFJFHSA-N 0 3 345.414 2.967 20 10 EFCDHN COc1ccc([O-])c(C[N@H+]2CC[C@@](CO)(Cc3ccc(F)cc3)C2)c1 ZINC000377851144 476612735 /nfs/dbraw/zinc/61/27/35/476612735.db2.gz IQRSSXRGCZQEEX-HXUWFJFHSA-N 0 3 345.414 2.967 20 10 EFCDHN NC(=O)C[C@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000377852990 476614129 /nfs/dbraw/zinc/61/41/29/476614129.db2.gz WBGVSXXVLBZLRW-MRXNPFEDSA-N 0 3 340.423 2.669 20 10 EFCDHN NC(=O)C[C@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000377852990 476614133 /nfs/dbraw/zinc/61/41/33/476614133.db2.gz WBGVSXXVLBZLRW-MRXNPFEDSA-N 0 3 340.423 2.669 20 10 EFCDHN C[C@H]1C[N@H+](Cc2cccc(Cl)c2[O-])CC[C@H]1N1CCN(C)CC1 ZINC000375021048 476641589 /nfs/dbraw/zinc/64/15/89/476641589.db2.gz NVYHUSYLJXIYNI-WMLDXEAASA-N 0 3 337.895 2.503 20 10 EFCDHN C[C@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])CC[C@H]1N1CCN(C)CC1 ZINC000375021048 476641593 /nfs/dbraw/zinc/64/15/93/476641593.db2.gz NVYHUSYLJXIYNI-WMLDXEAASA-N 0 3 337.895 2.503 20 10 EFCDHN C[C@H]1CN(Cc2cccc(Cl)c2[O-])CC[C@H]1[NH+]1CCN(C)CC1 ZINC000375021048 476641599 /nfs/dbraw/zinc/64/15/99/476641599.db2.gz NVYHUSYLJXIYNI-WMLDXEAASA-N 0 3 337.895 2.503 20 10 EFCDHN Cc1cc(Br)cc(C[NH2+][C@H]2CCc3c[nH]nc3C2)c1[O-] ZINC000378451759 476710271 /nfs/dbraw/zinc/71/02/71/476710271.db2.gz FRGPUZLANUFZMF-ZDUSSCGKSA-N 0 3 336.233 2.833 20 10 EFCDHN CN(C)C[C@H]1CN(C(=O)/C=C/c2cncc(F)c2)c2ccccc2O1 ZINC000370503543 476842593 /nfs/dbraw/zinc/84/25/93/476842593.db2.gz UVFYPKJRISRAFY-WAVCKPEOSA-N 0 3 341.386 2.590 20 10 EFCDHN COc1cccc(CN2CCCN(c3ncccc3F)CC2)c1O ZINC000375525062 476880397 /nfs/dbraw/zinc/88/03/97/476880397.db2.gz JNMKDFJMCRNJCE-UHFFFAOYSA-N 0 3 331.391 2.647 20 10 EFCDHN C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)Cc1ccc(N)cc1 ZINC000370773178 476978500 /nfs/dbraw/zinc/97/85/00/476978500.db2.gz MZPQRPPFRRYJKE-OXJNMPFZSA-N 0 3 337.467 2.838 20 10 EFCDHN C[C@@H](C(=O)N1CCOc2cc(N(C)C)ccc21)N1[C@H](C)CC[C@H]1C ZINC000413536644 477718955 /nfs/dbraw/zinc/71/89/55/477718955.db2.gz VXWOPQNKSSCNJS-KFWWJZLASA-N 0 3 331.460 2.739 20 10 EFCDHN Cc1c2ccccc2n(C)c1CNC(=O)N1CC[C@H](N2CCCC2)C1 ZINC000526928304 478407691 /nfs/dbraw/zinc/40/76/91/478407691.db2.gz XYOGVMAPXLNAGE-INIZCTEOSA-N 0 3 340.471 2.866 20 10 EFCDHN COC[C@]1(NCc2cccc(OC)c2O)COc2ccccc2C1 ZINC000527796881 478522551 /nfs/dbraw/zinc/52/25/51/478522551.db2.gz BNIQHXDIKDPPLN-IBGZPJMESA-N 0 3 329.396 2.511 20 10 EFCDHN COC[C@]1([NH2+]Cc2cccc(OC)c2[O-])COc2ccccc2C1 ZINC000527796881 478522558 /nfs/dbraw/zinc/52/25/58/478522558.db2.gz BNIQHXDIKDPPLN-IBGZPJMESA-N 0 3 329.396 2.511 20 10 EFCDHN Cc1c(/C=C/C(=O)N(CCN2CCCC2)c2ccccc2)cnn1C ZINC000492262473 478898508 /nfs/dbraw/zinc/89/85/08/478898508.db2.gz ILCBOCAHJOQBHP-ZHACJKMWSA-N 0 3 338.455 2.871 20 10 EFCDHN C[C@H]1CCN(C(=O)c2cnn3c2[C@H](C[NH3+])CCC3)c2c([O-])cccc21 ZINC000592566366 478943557 /nfs/dbraw/zinc/94/35/57/478943557.db2.gz MBVCGAHPEVHKSL-STQMWFEESA-N 0 3 340.427 2.579 20 10 EFCDHN CN(C(=O)C=Cc1c[nH]cn1)c1ccc(OCCN2CCCC2)cc1 ZINC000492810268 479020618 /nfs/dbraw/zinc/02/06/18/479020618.db2.gz HVPRONMDWVNFFV-WTKPLQERSA-N 0 3 340.427 2.561 20 10 EFCDHN COCCn1c(C)c(C)c2cc(C(=O)N3CCN[C@H](C)[C@H]3C)ccc21 ZINC000566627258 479094840 /nfs/dbraw/zinc/09/48/40/479094840.db2.gz MOXAJIMOYAXIJS-GDBMZVCRSA-N 0 3 343.471 2.727 20 10 EFCDHN COc1cccc([C@@H](C[NH2+]Cc2cc(OC)c(OC)cc2[O-])OC)c1 ZINC000529637820 479232701 /nfs/dbraw/zinc/23/27/01/479232701.db2.gz FUZZAVVXVHXUCP-LJQANCHMSA-N 0 3 347.411 2.895 20 10 EFCDHN COC[C@@]1([NH2+]Cc2cc(OC)ccc2[O-])COc2ccccc2C1 ZINC000529669157 479242558 /nfs/dbraw/zinc/24/25/58/479242558.db2.gz PKNUMMWIGNVVRC-LJQANCHMSA-N 0 3 329.396 2.511 20 10 EFCDHN COC[C@@]1(NCc2cc(OC)ccc2O)COc2ccccc2C1 ZINC000529669157 479242571 /nfs/dbraw/zinc/24/25/71/479242571.db2.gz PKNUMMWIGNVVRC-LJQANCHMSA-N 0 3 329.396 2.511 20 10 EFCDHN COCCn1c(C)c(C)c2cc(C(=O)N3CCNCC3(C)C)ccc21 ZINC000653053684 481050749 /nfs/dbraw/zinc/05/07/49/481050749.db2.gz BGGNKLNJHKTGEI-UHFFFAOYSA-N 0 3 343.471 2.729 20 10 EFCDHN CN1CCCN(C(=O)c2cccc3c2CCNC3)c2ccc(F)cc21 ZINC000662743407 481956707 /nfs/dbraw/zinc/95/67/07/481956707.db2.gz IJXGBSJOPAAWQB-UHFFFAOYSA-N 0 3 339.414 2.958 20 10 EFCDHN COc1cc(OC)cc([C@@H](O)C[NH2+][C@H]2CCc3cccc([O-])c32)c1 ZINC000297877912 522878234 /nfs/dbraw/zinc/87/82/34/522878234.db2.gz UXMFDMFTYIDQNY-WMZOPIPTSA-N 0 3 329.396 2.720 20 10 EFCDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000176465503 527895228 /nfs/dbraw/zinc/89/52/28/527895228.db2.gz CJEHWGQGMSXOGJ-CVEARBPZSA-N 0 3 348.466 2.660 20 10 EFCDHN CC[C@@H]([NH2+]Cc1ccnc(N2CCN(C)CC2)c1)c1ccccc1[O-] ZINC000155181434 529187054 /nfs/dbraw/zinc/18/70/54/529187054.db2.gz AKBDEFGRLAKOOP-GOSISDBHSA-N 0 3 340.471 2.780 20 10 EFCDHN CCN1CCC[C@@H]1CNC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000298733909 535566400 /nfs/dbraw/zinc/56/64/00/535566400.db2.gz OWCPCOCCFMJFJY-MRXNPFEDSA-N 0 3 326.444 2.703 20 10 EFCDHN CCOc1ccc(O)c(CN[C@@](C)(CC(=O)OC)c2ccncc2)c1 ZINC000191906897 535752141 /nfs/dbraw/zinc/75/21/41/535752141.db2.gz KQUGGGSVQOJEGR-IBGZPJMESA-N 0 3 344.411 2.754 20 10 EFCDHN CC[C@H](C)[C@H](N)C(=O)N(CC)Cc1cc(Br)ccc1O ZINC000236995739 535950776 /nfs/dbraw/zinc/95/07/76/535950776.db2.gz LCWVAUDLTXBLIT-HZMBPMFUSA-N 0 3 343.265 2.877 20 10 EFCDHN CN1CCC(Nc2ccccc2NC(=O)Cc2ccc(N)cc2)CC1 ZINC000262646459 536345675 /nfs/dbraw/zinc/34/56/75/536345675.db2.gz OMESUBDJZXIONF-UHFFFAOYSA-N 0 3 338.455 2.956 20 10 EFCDHN COc1ccc(N2CCC(N[C@@H](C)C(=O)NC(C)(C)C)CC2)cc1 ZINC000362971320 536670572 /nfs/dbraw/zinc/67/05/72/536670572.db2.gz SIFLRLHZQXSEQV-AWEZNQCLSA-N 0 3 333.476 2.557 20 10 EFCDHN COc1cc(O)c(CN[C@]2(CO)CCCc3ccccc32)cc1OC ZINC000367031773 536856660 /nfs/dbraw/zinc/85/66/60/536856660.db2.gz WNKMXDPGPHGGTL-FQEVSTJZSA-N 0 3 343.423 2.723 20 10 EFCDHN O=S1(=O)CCC(C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000756041115 575675237 /nfs/dbraw/zinc/67/52/37/575675237.db2.gz IYSQUQOCAPDOAP-UHFFFAOYSA-N 0 3 345.464 2.974 20 10 EFCDHN Cc1ccc([C@H](C)[NH2+]CCCN2C(=O)NC3(CCCC3)C2=O)c([O-])c1 ZINC000756362104 575723280 /nfs/dbraw/zinc/72/32/80/575723280.db2.gz MLPHYAXOCILBQP-AWEZNQCLSA-N 0 3 345.443 2.606 20 10 EFCDHN C[C@H]1C[C@@H]([NH2+]CCc2nnc3ccccn32)c2c1c(F)ccc2[O-] ZINC000756365162 575723762 /nfs/dbraw/zinc/72/37/62/575723762.db2.gz XHQJYCOFBVUGNV-WCQYABFASA-N 0 3 326.375 2.955 20 10 EFCDHN CNC(=O)COc1cccc(C[NH2+][C@H](C)c2ccc(C)c(C)c2[O-])c1 ZINC000756434310 575738454 /nfs/dbraw/zinc/73/84/54/575738454.db2.gz LHGFAKVTANANDN-OAHLLOKOSA-N 0 3 342.439 2.985 20 10 EFCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCNC(=O)c2ccc(F)cc2)c1 ZINC000756456453 575742149 /nfs/dbraw/zinc/74/21/49/575742149.db2.gz XOGYVXKOJVQWCV-GFCCVEGCSA-N 0 3 332.375 2.621 20 10 EFCDHN C[C@@H](NC1CC[NH+](C[C@H]2CCOC2)CC1)c1cc(F)cc(F)c1[O-] ZINC000756587043 575765737 /nfs/dbraw/zinc/76/57/37/575765737.db2.gz YJCLEEFSTYCNJA-CHWSQXEVSA-N 0 3 340.414 2.822 20 10 EFCDHN C[C@H]1C[C@@H]([NH2+]Cc2cccc(OCC(N)=O)c2)c2c1c(F)ccc2[O-] ZINC000756608729 575767373 /nfs/dbraw/zinc/76/73/73/575767373.db2.gz LCENNOGHRJFYTM-XHDPSFHLSA-N 0 3 344.386 2.734 20 10 EFCDHN C[C@@H]1C[C@H]([NH2+][C@H]2CCN(CC(F)(F)F)C2=O)c2c1c(F)ccc2[O-] ZINC000756713909 575779769 /nfs/dbraw/zinc/77/97/69/575779769.db2.gz ZALIUGCCVLCWLN-MIMYLULJSA-N 0 3 346.324 2.832 20 10 EFCDHN CON(C)C(=O)[C@H](CCSC)N[C@H](C)c1ccc(C)c(C)c1O ZINC000756760890 575784678 /nfs/dbraw/zinc/78/46/78/575784678.db2.gz KROOPEZSTGDSOQ-HIFRSBDPSA-N 0 3 340.489 2.801 20 10 EFCDHN COc1ccc(O)c([C@@H](C)N[C@H]2CCN(C3CCCCC3)C2=O)c1 ZINC000756763774 575785050 /nfs/dbraw/zinc/78/50/50/575785050.db2.gz YSLYNQLPNBJQJZ-DYVFJYSZSA-N 0 3 332.444 2.985 20 10 EFCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H](CO)C[C@H](O)c2ccccc2)c1 ZINC000756770056 575785488 /nfs/dbraw/zinc/78/54/88/575785488.db2.gz ISZYXRJULOMXMZ-RFUYNDQBSA-N 0 3 331.412 2.536 20 10 EFCDHN C[C@H](NCc1ccnc(N(C)C)n1)c1cc2c(cc1O)CCCC2 ZINC000756789763 575786895 /nfs/dbraw/zinc/78/68/95/575786895.db2.gz ISBYLHZRYIICMK-ZDUSSCGKSA-N 0 3 326.444 2.978 20 10 EFCDHN CCN1CCC(NC(=O)CN(CC(C)C)c2ccc(OC)cc2)CC1 ZINC000756822588 575789668 /nfs/dbraw/zinc/78/96/68/575789668.db2.gz BFZTYBIOTKQHPV-UHFFFAOYSA-N 0 3 347.503 2.758 20 10 EFCDHN CCN(CC)c1ccc(CNC(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)cc1 ZINC000757635037 575846573 /nfs/dbraw/zinc/84/65/73/575846573.db2.gz MCBNILJXVAALBD-KXBFYZLASA-N 0 3 344.503 2.815 20 10 EFCDHN CN(CCc1ccncc1)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000757889667 575855252 /nfs/dbraw/zinc/85/52/52/575855252.db2.gz ZGIRXHTVWZNKPZ-UHFFFAOYSA-N 0 3 329.419 2.732 20 10 EFCDHN CC[C@H](CN1CCCC1)NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000758802594 575877645 /nfs/dbraw/zinc/87/76/45/575877645.db2.gz NJKWUTMVKGOTJN-GOSISDBHSA-N 0 3 342.487 2.736 20 10 EFCDHN CCN(CC)c1ccc(CN2CC[C@@H](NC(=O)NC3CC3)C2)cc1 ZINC000761229693 576133443 /nfs/dbraw/zinc/13/34/43/576133443.db2.gz SDEYXTCWKSCQQJ-QGZVFWFLSA-N 0 3 330.476 2.569 20 10 EFCDHN C[C@@H]1CN(CCC[NH2+]Cc2c([O-])ccc(Cl)c2F)CCCO1 ZINC000762482810 576306728 /nfs/dbraw/zinc/30/67/28/576306728.db2.gz MLGDHFQOHYDUGL-GFCCVEGCSA-N 0 3 330.831 2.775 20 10 EFCDHN C[C@@H]1C[N@H+](CCCNCc2c([O-])ccc(Cl)c2F)CCCO1 ZINC000762482810 576306731 /nfs/dbraw/zinc/30/67/31/576306731.db2.gz MLGDHFQOHYDUGL-GFCCVEGCSA-N 0 3 330.831 2.775 20 10 EFCDHN C[C@@H]1C[N@@H+](CCCNCc2c([O-])ccc(Cl)c2F)CCCO1 ZINC000762482810 576306735 /nfs/dbraw/zinc/30/67/35/576306735.db2.gz MLGDHFQOHYDUGL-GFCCVEGCSA-N 0 3 330.831 2.775 20 10 EFCDHN [O-]c1cc2c(cc1C[NH2+][C@@H]1CC[C@H]3SCCS[C@H]13)OCO2 ZINC000762616191 576318270 /nfs/dbraw/zinc/31/82/70/576318270.db2.gz RWHJUKROKHWIJX-VCTAVGKDSA-N 0 3 325.455 2.590 20 10 EFCDHN CC[C@@H](NCc1ccc(-n2cncn2)nc1)c1ccc(N(C)C)cc1 ZINC000764958945 576528912 /nfs/dbraw/zinc/52/89/12/576528912.db2.gz XYSSUFOAIMDVFX-GOSISDBHSA-N 0 3 336.443 2.969 20 10 EFCDHN CC[C@H](NCc1ccc(-n2cncn2)nc1)c1ccc(N(C)C)cc1 ZINC000764958947 576528978 /nfs/dbraw/zinc/52/89/78/576528978.db2.gz XYSSUFOAIMDVFX-SFHVURJKSA-N 0 3 336.443 2.969 20 10 EFCDHN C[C@H](NC[C@@H](O)COc1cccc(F)c1)c1ccc(N(C)C)cc1 ZINC000765287986 577027661 /nfs/dbraw/zinc/02/76/61/577027661.db2.gz ITKVLLYLMVOFHM-KBXCAEBGSA-N 0 3 332.419 2.982 20 10 EFCDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCc1ccccc1O ZINC000765313109 577031182 /nfs/dbraw/zinc/03/11/82/577031182.db2.gz BIFQAEXUJDZKGE-CRAIPNDOSA-N 0 3 339.439 2.712 20 10 EFCDHN CCC[C@H]1C[N@H+](Cc2c([O-])ccc3ccncc32)CCN1CCOC ZINC000766373100 577141180 /nfs/dbraw/zinc/14/11/80/577141180.db2.gz FCCZVGGZJAVJDO-KRWDZBQOSA-N 0 3 343.471 2.873 20 10 EFCDHN CCC[C@H]1C[N@@H+](Cc2c([O-])ccc3ccncc32)CCN1CCOC ZINC000766373100 577141183 /nfs/dbraw/zinc/14/11/83/577141183.db2.gz FCCZVGGZJAVJDO-KRWDZBQOSA-N 0 3 343.471 2.873 20 10 EFCDHN C[C@@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(N(C)C)cc1 ZINC000766376186 577141931 /nfs/dbraw/zinc/14/19/31/577141931.db2.gz SCVJFUZZWFJODF-CYBMUJFWSA-N 0 3 342.399 2.950 20 10 EFCDHN CCOc1ccc(C[N@@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)c([O-])c1 ZINC000768347943 577267685 /nfs/dbraw/zinc/26/76/85/577267685.db2.gz YLLUXJRLHGJIQT-MRXNPFEDSA-N 0 3 332.444 2.529 20 10 EFCDHN CCOc1ccc(C[N@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)c([O-])c1 ZINC000768347943 577267687 /nfs/dbraw/zinc/26/76/87/577267687.db2.gz YLLUXJRLHGJIQT-MRXNPFEDSA-N 0 3 332.444 2.529 20 10 EFCDHN CC(C)C(=O)N1CCCN(Cc2cc3c(cc2O)CCCC3)CC1 ZINC000768444476 577274023 /nfs/dbraw/zinc/27/40/23/577274023.db2.gz BRHPTVPQPAMICX-UHFFFAOYSA-N 0 3 330.472 2.961 20 10 EFCDHN COc1ccc(CN(C)Cc2cc3c(cc2O)OC[C@H]3O)cc1F ZINC000768443196 577274112 /nfs/dbraw/zinc/27/41/12/577274112.db2.gz ZXCKDZSOYCPHSY-MRXNPFEDSA-N 0 3 333.359 2.598 20 10 EFCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@H](Cc3ccccc3)C1)[C@H](O)CO2 ZINC000768449257 577274611 /nfs/dbraw/zinc/27/46/11/577274611.db2.gz YZTDWXQAEUELLE-HNAYVOBHSA-N 0 3 325.408 2.883 20 10 EFCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@@H](Cc3ccccc3)C1)[C@H](O)CO2 ZINC000768449257 577274613 /nfs/dbraw/zinc/27/46/13/577274613.db2.gz YZTDWXQAEUELLE-HNAYVOBHSA-N 0 3 325.408 2.883 20 10 EFCDHN COc1cc(CN2CC[C@H](NC(=O)OC(C)(C)C)C2)c(O)cc1C ZINC000768452803 577275204 /nfs/dbraw/zinc/27/52/04/577275204.db2.gz SMQKUGYAFJRXRV-AWEZNQCLSA-N 0 3 336.432 2.808 20 10 EFCDHN [O-]c1cc2c(cc1C[NH2+]C1(c3ccccc3)CCOCC1)[C@@H](O)CO2 ZINC000768464586 577276306 /nfs/dbraw/zinc/27/63/06/577276306.db2.gz CIBYZIKGXZMRKD-SFHVURJKSA-N 0 3 341.407 2.614 20 10 EFCDHN COc1ccc(O)c(CN2CCC([C@](C)(O)C(F)(F)F)CC2)c1 ZINC000768532156 577280982 /nfs/dbraw/zinc/28/09/82/577280982.db2.gz MEIMPUJSXDMXRF-HNNXBMFYSA-N 0 3 333.350 2.926 20 10 EFCDHN Cc1ccc(NC(=O)c2cc([O-])cs2)cc1NC(=O)CC[NH+](C)C ZINC000768731207 577297720 /nfs/dbraw/zinc/29/77/20/577297720.db2.gz YRTGCPKZHMFJIP-UHFFFAOYSA-N 0 3 347.440 2.905 20 10 EFCDHN CCOc1ccc(C[NH+]2CCC(C(=O)N(C)C(C)C)CC2)c([O-])c1 ZINC000768872706 577312538 /nfs/dbraw/zinc/31/25/38/577312538.db2.gz SUWWQOZKCMZXBQ-UHFFFAOYSA-N 0 3 334.460 2.870 20 10 EFCDHN CCN(CCC(=O)OC)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000768992271 577322868 /nfs/dbraw/zinc/32/28/68/577322868.db2.gz LHPYASIJWKZFQA-UHFFFAOYSA-N 0 3 349.431 2.970 20 10 EFCDHN CCOc1ccc(C[N@@H+]2CCC[C@@H]2CN2C[C@@H](C)O[C@@H](C)C2)c([O-])c1 ZINC000769106981 577334816 /nfs/dbraw/zinc/33/48/16/577334816.db2.gz HZVVLEJCRLUIDA-SOLBZPMBSA-N 0 3 348.487 2.865 20 10 EFCDHN CCOc1ccc(C[N@H+]2CCC[C@@H]2CN2C[C@@H](C)O[C@@H](C)C2)c([O-])c1 ZINC000769106981 577334817 /nfs/dbraw/zinc/33/48/17/577334817.db2.gz HZVVLEJCRLUIDA-SOLBZPMBSA-N 0 3 348.487 2.865 20 10 EFCDHN O=[N+]([O-])c1cc(CN(CCO)CC2CC2)ccc1N1CCCCC1 ZINC000769105430 577334835 /nfs/dbraw/zinc/33/48/35/577334835.db2.gz DEMQCOJVQLNHHV-UHFFFAOYSA-N 0 3 333.432 2.789 20 10 EFCDHN CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(OCC)cc2[O-])C1 ZINC000769209802 577344597 /nfs/dbraw/zinc/34/45/97/577344597.db2.gz VBXRYXSUULXFPX-MRXNPFEDSA-N 0 3 334.460 2.919 20 10 EFCDHN CCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(OCC)cc2[O-])C1 ZINC000769209802 577344598 /nfs/dbraw/zinc/34/45/98/577344598.db2.gz VBXRYXSUULXFPX-MRXNPFEDSA-N 0 3 334.460 2.919 20 10 EFCDHN CCN1CCN(Cc2cc(Br)cc(OC)c2O)C[C@@H]1C ZINC000769381204 577357298 /nfs/dbraw/zinc/35/72/98/577357298.db2.gz MEXZNTAWYMMICU-NSHDSACASA-N 0 3 343.265 2.689 20 10 EFCDHN CCN1C[C@@H](C)N(Cc2ccc(N3CCOCC3)c(F)c2)C[C@@H]1C ZINC000769467823 577364818 /nfs/dbraw/zinc/36/48/18/577364818.db2.gz ZKYKMBSOYZPHSJ-JKSUJKDBSA-N 0 3 335.467 2.577 20 10 EFCDHN CCOc1ccc(CN2CCC([C@H](O)C(F)(F)F)CC2)c(O)c1 ZINC000769516082 577369409 /nfs/dbraw/zinc/36/94/09/577369409.db2.gz YOPITVFPNDOCKQ-HNNXBMFYSA-N 0 3 333.350 2.926 20 10 EFCDHN C[C@@H]1C[N@H+](Cc2c([O-])cccc2Cl)CC[C@H]1N1CCN(C)CC1 ZINC000769523431 577369992 /nfs/dbraw/zinc/36/99/92/577369992.db2.gz AAVOZXCYMOWYIG-RHSMWYFYSA-N 0 3 337.895 2.503 20 10 EFCDHN C[C@@H]1C[N@@H+](Cc2c([O-])cccc2Cl)CC[C@H]1N1CCN(C)CC1 ZINC000769523431 577369994 /nfs/dbraw/zinc/36/99/94/577369994.db2.gz AAVOZXCYMOWYIG-RHSMWYFYSA-N 0 3 337.895 2.503 20 10 EFCDHN COc1cc(Br)cc(C[NH2+][C@H]2CCO[C@H](C)C2)c1[O-] ZINC000769710556 577380085 /nfs/dbraw/zinc/38/00/85/577380085.db2.gz NAKNHFBUXHCCIC-SKDRFNHKSA-N 0 3 330.222 2.820 20 10 EFCDHN C[C@H](NCCO[C@@H]1CCCCO1)c1ccc(N2CCOCC2)cc1 ZINC000769787197 577385040 /nfs/dbraw/zinc/38/50/40/577385040.db2.gz PRHXDVOEXKUWDA-QFBILLFUSA-N 0 3 334.460 2.717 20 10 EFCDHN C[C@@H]([NH2+]Cc1cc(-c2ccccc2)ccc1[O-])[C@H]1CN(C)CCO1 ZINC000769933864 577394043 /nfs/dbraw/zinc/39/40/43/577394043.db2.gz JRLSFZUHDXXVNI-FOIQADDNSA-N 0 3 326.440 2.868 20 10 EFCDHN C[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)[C@@H](c1ccccc1)N(C)C ZINC000771512104 581219640 /nfs/dbraw/zinc/21/96/40/581219640.db2.gz XUWGCDJRCBWJIA-CKCYYWNBSA-N 0 3 340.423 2.919 20 10 EFCDHN COC[C@H](NCc1ccc(N2CCN(C)CC2)cc1)c1ccco1 ZINC000771841860 581249539 /nfs/dbraw/zinc/24/95/39/581249539.db2.gz GGMZCORZRXLURM-SFHVURJKSA-N 0 3 329.444 2.509 20 10 EFCDHN CC[C@@H]1CC[C@H](C)N1CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000772346510 581311189 /nfs/dbraw/zinc/31/11/89/581311189.db2.gz OEEYYGGFTQQZBD-DLBZAZTESA-N 0 3 345.487 2.607 20 10 EFCDHN C[C@H](NCC(C)(C)CO)c1ccc(N2CCOCC2)cc1Cl ZINC000773071948 581393707 /nfs/dbraw/zinc/39/37/07/581393707.db2.gz LSAFTVKORXWSPS-ZDUSSCGKSA-N 0 3 326.868 2.846 20 10 EFCDHN C[C@H](NC(=O)NCCN1CCC[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000773217068 581406434 /nfs/dbraw/zinc/40/64/34/581406434.db2.gz HCSHXDOBCGKRSY-HOTGVXAUSA-N 0 3 332.492 2.845 20 10 EFCDHN CCOC(=O)[C@]1(C(C)C)CC[N@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000773324531 581419046 /nfs/dbraw/zinc/41/90/46/581419046.db2.gz CUKGOKVXMKBXLU-GOSISDBHSA-N 0 3 335.400 2.532 20 10 EFCDHN CCOC(=O)[C@]1(C(C)C)CC[N@@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000773324531 581419047 /nfs/dbraw/zinc/41/90/47/581419047.db2.gz CUKGOKVXMKBXLU-GOSISDBHSA-N 0 3 335.400 2.532 20 10 EFCDHN CCN(C)c1ccc(CN(CCC(=O)OC)C[C@@H]2CCCO2)cc1 ZINC000773751656 581461422 /nfs/dbraw/zinc/46/14/22/581461422.db2.gz GDTHSKUDMUCKII-SFHVURJKSA-N 0 3 334.460 2.687 20 10 EFCDHN COC[C@@H](C)OC[C@H](O)C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000773758742 581462443 /nfs/dbraw/zinc/46/24/43/581462443.db2.gz XSUXDUBAQHFHLE-CRAIPNDOSA-N 0 3 337.460 2.549 20 10 EFCDHN COC[C@@H](C)OC[C@H](O)C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000773758742 581462444 /nfs/dbraw/zinc/46/24/44/581462444.db2.gz XSUXDUBAQHFHLE-CRAIPNDOSA-N 0 3 337.460 2.549 20 10 EFCDHN Cc1cc(CN[C@@H](C)c2cccc(S(N)(=O)=O)c2)ccc1N(C)C ZINC000774446529 581491736 /nfs/dbraw/zinc/49/17/36/581491736.db2.gz BYZDWRGMMHTQFM-AWEZNQCLSA-N 0 3 347.484 2.559 20 10 EFCDHN Cc1nn(C)c(C)c1NC(=O)[C@H](C)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000774487324 581492592 /nfs/dbraw/zinc/49/25/92/581492592.db2.gz ZDFOCOFONAJFOO-OCCSQVGLSA-N 0 3 343.475 2.781 20 10 EFCDHN CCN1CC[C@H]([N@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C[C@H]1C ZINC000774904808 581503681 /nfs/dbraw/zinc/50/36/81/581503681.db2.gz XBQFSKBCQSQLIW-OCCSQVGLSA-N 0 3 337.420 2.614 20 10 EFCDHN CCN1CC[C@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C[C@H]1C ZINC000774904808 581503682 /nfs/dbraw/zinc/50/36/82/581503682.db2.gz XBQFSKBCQSQLIW-OCCSQVGLSA-N 0 3 337.420 2.614 20 10 EFCDHN CC[N@@H+]1CC[C@H](N(C)Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C[C@H]1C ZINC000774904808 581503683 /nfs/dbraw/zinc/50/36/83/581503683.db2.gz XBQFSKBCQSQLIW-OCCSQVGLSA-N 0 3 337.420 2.614 20 10 EFCDHN CC[N@H+]1CC[C@H](N(C)Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C[C@H]1C ZINC000774904808 581503684 /nfs/dbraw/zinc/50/36/84/581503684.db2.gz XBQFSKBCQSQLIW-OCCSQVGLSA-N 0 3 337.420 2.614 20 10 EFCDHN CCOc1cccc(C[NH2+][C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1O ZINC000736654285 598275234 /nfs/dbraw/zinc/27/52/34/598275234.db2.gz JAXIESLPBRTKAS-GFCCVEGCSA-N 0 3 339.399 2.822 20 10 EFCDHN COc1cc(CNCC(=O)NC2CCCC2)c(O)c(C(C)(C)C)c1 ZINC000850131019 1250302082 /nfs/dbraw/zinc/30/20/82/1250302082.db2.gz GNIICOKCEXLTGR-UHFFFAOYSA-N 0 3 334.460 2.847 20 10 EFCDHN CC(C)CN1C(=O)C[C@]2(CCC[N@H+](Cc3cc(F)ccc3[O-])C2)C1=O ZINC001273284476 1265475661 /nfs/dbraw/zinc/47/56/61/1265475661.db2.gz ISWPPSFEFSLXLP-IBGZPJMESA-N 0 3 348.418 2.528 20 10 EFCDHN CC(C)CN1C(=O)C[C@]2(CCC[N@@H+](Cc3cc(F)ccc3[O-])C2)C1=O ZINC001273284476 1265475664 /nfs/dbraw/zinc/47/56/64/1265475664.db2.gz ISWPPSFEFSLXLP-IBGZPJMESA-N 0 3 348.418 2.528 20 10 EFCDHN O=C1N(CC(F)(F)F)CC[C@]12CC[N@@H+](Cc1cc(F)ccc1[O-])C2 ZINC001273283895 1265476261 /nfs/dbraw/zinc/47/62/61/1265476261.db2.gz BMUAKAJAHVISAX-HNNXBMFYSA-N 0 3 346.324 2.518 20 10 EFCDHN O=C1N(CC(F)(F)F)CC[C@]12CC[N@H+](Cc1cc(F)ccc1[O-])C2 ZINC001273283895 1265476264 /nfs/dbraw/zinc/47/62/64/1265476264.db2.gz BMUAKAJAHVISAX-HNNXBMFYSA-N 0 3 346.324 2.518 20 10 EFCDHN CCCCN1C(=O)C[C@@]2(CCC[N@H+](Cc3cc(F)ccc3[O-])C2)C1=O ZINC001273286007 1265478063 /nfs/dbraw/zinc/47/80/63/1265478063.db2.gz XKKFLXFYVGSQTG-LJQANCHMSA-N 0 3 348.418 2.673 20 10 EFCDHN CCCCN1C(=O)C[C@@]2(CCC[N@@H+](Cc3cc(F)ccc3[O-])C2)C1=O ZINC001273286007 1265478070 /nfs/dbraw/zinc/47/80/70/1265478070.db2.gz XKKFLXFYVGSQTG-LJQANCHMSA-N 0 3 348.418 2.673 20 10 EFCDHN COc1cc(CN[C@H]2C[C@@H]3CCCCN3C2=O)c(O)c(C(C)(C)C)c1 ZINC000850319759 1250426351 /nfs/dbraw/zinc/42/63/51/1250426351.db2.gz FSQKPDGNLQCGJQ-YOEHRIQHSA-N 0 3 346.471 2.941 20 10 EFCDHN CCCN1CC[C@H]([NH2+]Cc2cc(Br)cc(OC)c2[O-])C1 ZINC000850395832 1250465310 /nfs/dbraw/zinc/46/53/10/1250465310.db2.gz ZRBGFQSOCUPQNY-ZDUSSCGKSA-N 0 3 343.265 2.737 20 10 EFCDHN Cn1cc2c(n1)CCC[C@H]2NCc1ccc(N2CCC(O)CC2)cc1 ZINC000850567989 1250540276 /nfs/dbraw/zinc/54/02/76/1250540276.db2.gz NHDMHAFCVLJPNW-LJQANCHMSA-N 0 3 340.471 2.548 20 10 EFCDHN CCOc1cccc(CNCC(=O)N(CC)c2ccccc2)c1O ZINC000922477154 1266112484 /nfs/dbraw/zinc/11/24/84/1266112484.db2.gz UTUBNIJRGQTBGN-UHFFFAOYSA-N 0 3 328.412 2.934 20 10 EFCDHN Cc1cc([C@@H](C)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)nn1C ZINC000903448067 1260720974 /nfs/dbraw/zinc/72/09/74/1260720974.db2.gz JAXRMBUBRHHMMK-BEFAXECRSA-N 0 3 329.492 2.748 20 10 EFCDHN O=C1C[C@@]2(CN1C1CCCC1)CCCCN2Cc1ccc(O)c(O)c1 ZINC001272903145 1261296810 /nfs/dbraw/zinc/29/68/10/1261296810.db2.gz NSKKMKDOQSYAFM-HXUWFJFHSA-N 0 3 344.455 2.997 20 10 EFCDHN Cc1cc(CN2CCC[C@@]3(CCN(C)C3=O)CC2)ccc1N(C)C ZINC001273207000 1263356598 /nfs/dbraw/zinc/35/65/98/1263356598.db2.gz WHIZUUCQTBNECV-HXUWFJFHSA-N 0 3 329.488 2.895 20 10 EFCDHN CC[C@H](C)N1CCC2(CC[NH+](Cc3ccc(O)cc3[O-])CC2)C1=O ZINC001272982417 1264667568 /nfs/dbraw/zinc/66/75/68/1264667568.db2.gz IOPHRFVDBUGOJM-AWEZNQCLSA-N 0 3 332.444 2.711 20 10 EFCDHN OC1CCN(c2ccc(CNCc3cnn(C4CCC4)c3)cc2)CC1 ZINC000922263183 1265147755 /nfs/dbraw/zinc/14/77/55/1265147755.db2.gz RKXXEVUQNLNUBI-UHFFFAOYSA-N 0 3 340.471 2.859 20 10 EFCDHN COC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000824702892 1278254918 /nfs/dbraw/zinc/25/49/18/1278254918.db2.gz SOGYZVAZWJQHSB-OLZOCXBDSA-N 0 3 342.233 2.894 20 10 EFCDHN CO[C@H]1COCC[C@H]1C[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000824709172 1278257399 /nfs/dbraw/zinc/25/73/99/1278257399.db2.gz OEQOQZCJIPZHRZ-FZMZJTMJSA-N 0 3 344.249 2.604 20 10 EFCDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000734286056 1266938318 /nfs/dbraw/zinc/93/83/18/1266938318.db2.gz YHYQJTBOTWYNOP-INIZCTEOSA-N 0 3 330.476 2.521 20 10 EFCDHN CCc1ccc([C@@H](CNC(=O)c2cccc(O)c2O)N(C)C)cc1 ZINC000186760146 1267683158 /nfs/dbraw/zinc/68/31/58/1267683158.db2.gz DSZQPOAIRXCTPE-MRXNPFEDSA-N 0 3 328.412 2.693 20 10 EFCDHN Cc1cc([O-])c(C[NH2+]C[C@@H](C(C)C)N2CCN(C)CC2)cc1Cl ZINC000825097731 1278409867 /nfs/dbraw/zinc/40/98/67/1278409867.db2.gz XZXXRDSTWSHIOU-KRWDZBQOSA-N 0 3 339.911 2.716 20 10 EFCDHN COc1cccc(CN[C@H](C)C(=O)N2c3ccccc3C[C@H]2C)c1O ZINC000825112994 1278414231 /nfs/dbraw/zinc/41/42/31/1278414231.db2.gz XRNUASPSMNCABR-ZIAGYGMSSA-N 0 3 340.423 2.857 20 10 EFCDHN COc1cccc(CN[C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)c1O ZINC000825112989 1278414856 /nfs/dbraw/zinc/41/48/56/1278414856.db2.gz XRNUASPSMNCABR-KBPBESRZSA-N 0 3 340.423 2.857 20 10 EFCDHN CN1CCN(c2ccc(CNCc3cnc(C4CC4)o3)cc2)CC1 ZINC000825175904 1278437823 /nfs/dbraw/zinc/43/78/23/1278437823.db2.gz RTYOOAHMIABQQZ-UHFFFAOYSA-N 0 3 326.444 2.594 20 10 EFCDHN COc1ccc(N2CCC(NC(=O)CN3[C@@H](C)CC[C@@H]3C)CC2)cc1 ZINC000741139875 1269347574 /nfs/dbraw/zinc/34/75/74/1269347574.db2.gz HCDDIWAPZHYCGM-HOTGVXAUSA-N 0 3 345.487 2.653 20 10 EFCDHN CN1CCCC[C@H](C[NH2+]Cc2cccc(Br)c2[O-])C1 ZINC000700809400 1269548897 /nfs/dbraw/zinc/54/88/97/1269548897.db2.gz PIPIOACPGNTFHZ-GFCCVEGCSA-N 0 3 327.266 2.976 20 10 EFCDHN CN(C)c1ccc(CN[C@@H]2CC(=O)N([C@@H]3C[C@H]3c3ccccc3)C2)cc1 ZINC000742391834 1270019062 /nfs/dbraw/zinc/01/90/62/1270019062.db2.gz MNLVZLCSHQKIRY-HLAWJBBLSA-N 0 3 349.478 2.999 20 10 EFCDHN COc1cc(Br)cc(C[NH2+]C[C@H](OC)C(C)C)c1[O-] ZINC000744449222 1271050903 /nfs/dbraw/zinc/05/09/03/1271050903.db2.gz SWWZHKHQPYGZHA-ZDUSSCGKSA-N 0 3 332.238 2.924 20 10 EFCDHN COc1cc(O)c(CNCc2cccc([N+](=O)[O-])c2C)cc1OC ZINC000792183030 1278625960 /nfs/dbraw/zinc/62/59/60/1278625960.db2.gz MIXWWHJSAKSRKB-UHFFFAOYSA-N 0 3 332.356 2.916 20 10 EFCDHN C[C@H]([NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1)c1ccc(F)cc1[O-] ZINC000702566419 1271493650 /nfs/dbraw/zinc/49/36/50/1271493650.db2.gz HJXVCYRPHNXLIY-YWZLYKJASA-N 0 3 344.430 2.819 20 10 EFCDHN C[C@H]([NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1)c1ccccc1[O-] ZINC000702603451 1271554531 /nfs/dbraw/zinc/55/45/31/1271554531.db2.gz NDVGXCUEBIAPDZ-JXFKEZNVSA-N 0 3 326.440 2.680 20 10 EFCDHN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000745821877 1271646267 /nfs/dbraw/zinc/64/62/67/1271646267.db2.gz BXZXVVQGQHEJMJ-QGZVFWFLSA-N 0 3 344.503 2.909 20 10 EFCDHN COc1ccc(CN2CC[C@H]([NH2+]Cc3ccccc3[O-])CC2=O)cc1 ZINC001168894644 1272465091 /nfs/dbraw/zinc/46/50/91/1272465091.db2.gz XGFPQMIGWWQLNY-KRWDZBQOSA-N 0 3 340.423 2.682 20 10 EFCDHN COc1cccc(CN(CC[NH+](C)C)C(=O)c2cc([O-])cs2)c1 ZINC000792510871 1278834657 /nfs/dbraw/zinc/83/46/57/1278834657.db2.gz BGUYJBLTWIFSSP-UHFFFAOYSA-N 0 3 334.441 2.666 20 10 EFCDHN COc1ccc(N(C)CCN(C)C[C@@H](O)c2cccc(F)c2)cc1 ZINC000844399620 1278948286 /nfs/dbraw/zinc/94/82/86/1278948286.db2.gz LWDNFOZGXMONSR-LJQANCHMSA-N 0 3 332.419 2.936 20 10 EFCDHN COc1ccc(N(C)CCN(C)Cc2ccnc(N(C)C)c2)cc1 ZINC000844401737 1278951374 /nfs/dbraw/zinc/95/13/74/1278951374.db2.gz PETVSEAXNYGZHF-UHFFFAOYSA-N 0 3 328.460 2.724 20 10 EFCDHN COc1ccc(O)c([C@@H](C)NCc2cnc(N3CCOCC3)s2)c1 ZINC000787014162 1275608605 /nfs/dbraw/zinc/60/86/05/1275608605.db2.gz MBOPPLYYILWMHP-GFCCVEGCSA-N 0 3 349.456 2.545 20 10 EFCDHN COc1cccc(O)c1CN1CCC[C@H](Oc2ncccc2F)C1 ZINC000787292182 1275736803 /nfs/dbraw/zinc/73/68/03/1275736803.db2.gz YAMBAIWVQKNVQS-ZDUSSCGKSA-N 0 3 332.375 2.978 20 10 EFCDHN COC(=O)[C@](C)(C[NH2+]Cc1c([O-])cccc1OC)c1ccccc1 ZINC000787423432 1275771616 /nfs/dbraw/zinc/77/16/16/1275771616.db2.gz MUEQLLZKSQQGJG-LJQANCHMSA-N 0 3 329.396 2.621 20 10 EFCDHN CCN(Cc1cc(C(=O)OC)n(C)c1)Cc1ccc(N(C)C)cc1 ZINC000787769798 1275903510 /nfs/dbraw/zinc/90/35/10/1275903510.db2.gz JDAWJOCGNTVLFX-UHFFFAOYSA-N 0 3 329.444 2.900 20 10 EFCDHN COC[C@]1(CN[C@H](C)c2cccc(C(F)(F)F)c2[O-])CCC[NH2+]1 ZINC000817975526 1276415534 /nfs/dbraw/zinc/41/55/34/1276415534.db2.gz WBQMGOLWKHILMZ-IAQYHMDHSA-N 0 3 332.366 2.830 20 10 EFCDHN COc1ccc(N2CC[C@H](CNCc3c(Cl)cnn3C)C2)cc1 ZINC000818222858 1276492855 /nfs/dbraw/zinc/49/28/55/1276492855.db2.gz XHZHSCZTRMEEPD-CYBMUJFWSA-N 0 3 334.851 2.698 20 10 EFCDHN COc1ccc(N2CC[C@@H](CNCc3cnn(C)c3Cl)C2)cc1 ZINC000818222450 1276493145 /nfs/dbraw/zinc/49/31/45/1276493145.db2.gz TWENJDAQEDUPBA-ZDUSSCGKSA-N 0 3 334.851 2.698 20 10 EFCDHN COc1ccc(N2CC[C@H](CN[C@H](C)c3cc(C)n(C)n3)C2)cc1 ZINC000818342935 1276511826 /nfs/dbraw/zinc/51/18/26/1276511826.db2.gz WUOYFOXXFAZADX-HZPDHXFCSA-N 0 3 328.460 2.914 20 10 EFCDHN [O-]c1cc2c(cc1C[NH+]1CCC(CC(F)(F)F)CC1)[C@@H](O)CO2 ZINC000789526234 1276783400 /nfs/dbraw/zinc/78/34/00/1276783400.db2.gz ACXZISVTGHQOFG-AWEZNQCLSA-N 0 3 331.334 2.982 20 10 EFCDHN Oc1cc2c(cc1CN1CCC(CC(F)(F)F)CC1)[C@@H](O)CO2 ZINC000789526234 1276783410 /nfs/dbraw/zinc/78/34/10/1276783410.db2.gz ACXZISVTGHQOFG-AWEZNQCLSA-N 0 3 331.334 2.982 20 10 EFCDHN CCCN1CCC[C@H]1C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819582453 1276825942 /nfs/dbraw/zinc/82/59/42/1276825942.db2.gz MBWONVLVSRHRSS-APWZRJJASA-N 0 3 345.487 2.512 20 10 EFCDHN COc1cc(Br)cc(CN2CCC[C@]2(C)CO)c1O ZINC000789557830 1276843318 /nfs/dbraw/zinc/84/33/18/1276843318.db2.gz OPRKCVUHPCYQHL-CQSZACIVSA-N 0 3 330.222 2.510 20 10 EFCDHN [O-]c1cc2c(cc1C[N@@H+]1CC3(CCC3)[C@H]1C1CCOCC1)[C@@H](O)CO2 ZINC000819902065 1276940981 /nfs/dbraw/zinc/94/09/81/1276940981.db2.gz MQLRRISYBNGKQA-PKOBYXMFSA-N 0 3 345.439 2.599 20 10 EFCDHN [O-]c1cc2c(cc1C[N@H+]1CC3(CCC3)[C@H]1C1CCOCC1)[C@@H](O)CO2 ZINC000819902065 1276940985 /nfs/dbraw/zinc/94/09/85/1276940985.db2.gz MQLRRISYBNGKQA-PKOBYXMFSA-N 0 3 345.439 2.599 20 10 EFCDHN COc1cc(Cl)cc(CN(C)CCN2CCOC(C)(C)C2)c1O ZINC000789764037 1276971615 /nfs/dbraw/zinc/97/16/15/1276971615.db2.gz CKKWKVMZIGQLCY-UHFFFAOYSA-N 0 3 342.867 2.597 20 10 EFCDHN O=C(c1cccc(O)c1[O-])N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000790538510 1277612344 /nfs/dbraw/zinc/61/23/44/1277612344.db2.gz IRZLUDAKJIWCNH-UHFFFAOYSA-N 0 3 332.444 2.826 20 10 EFCDHN CCN(C)c1ccc(CNCc2ccc(N3CCOCC3)cc2)cn1 ZINC000790954437 1277875545 /nfs/dbraw/zinc/87/55/45/1277875545.db2.gz ROGMESSBPNKPBV-UHFFFAOYSA-N 0 3 340.471 2.664 20 10 EFCDHN CCc1nocc1CNCc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000815123505 1287316825 /nfs/dbraw/zinc/31/68/25/1287316825.db2.gz AXEPFPKALALNMO-UHFFFAOYSA-N 0 3 346.450 2.808 20 10 EFCDHN COc1cc(Br)cc(C[NH2+]C[C@]2(O)CCC[C@H]2C)c1[O-] ZINC000815158786 1287334429 /nfs/dbraw/zinc/33/44/29/1287334429.db2.gz AFYMNHSKWOVBJZ-MEBBXXQBSA-N 0 3 344.249 2.804 20 10 EFCDHN COc1cc(Br)cc(C[NH2+]C[C@]2(O)CCC[C@@H]2C)c1[O-] ZINC000815158787 1287334618 /nfs/dbraw/zinc/33/46/18/1287334618.db2.gz AFYMNHSKWOVBJZ-ZUZCIYMTSA-N 0 3 344.249 2.804 20 10 EFCDHN CN(C)c1ccc(CN[C@@H](CO)CC(F)F)c(C(F)(F)F)c1 ZINC000793186348 1279431652 /nfs/dbraw/zinc/43/16/52/1279431652.db2.gz MFOXTFJKWSVPKM-SNVBAGLBSA-N 0 3 326.309 2.877 20 10 EFCDHN COCOc1ccc(OC)cc1CNCc1ccc(OC)cc1O ZINC000793388074 1279614653 /nfs/dbraw/zinc/61/46/53/1279614653.db2.gz KQTZUMSALQXSFE-UHFFFAOYSA-N 0 3 333.384 2.682 20 10 EFCDHN CCN(CC)c1ccc(CN2CCN(C[C@@H](C)O)C[C@@H]2C)cc1F ZINC000793591854 1279762009 /nfs/dbraw/zinc/76/20/09/1279762009.db2.gz RVFKNPKDCICQFC-JKSUJKDBSA-N 0 3 337.483 2.559 20 10 EFCDHN C[C@@]1(c2ccc(F)cc2)CN(Cc2c(O)cc(O)cc2O)CCO1 ZINC001144514764 1279775070 /nfs/dbraw/zinc/77/50/70/1279775070.db2.gz RGRGCGLJTGLZRG-SFHVURJKSA-N 0 3 333.359 2.690 20 10 EFCDHN COc1cccc(CN2CCN(C)[C@@H](Cc3ccccc3)C2)c1O ZINC000793621572 1279780564 /nfs/dbraw/zinc/78/05/64/1279780564.db2.gz YRONWZFHPIYJAP-SFHVURJKSA-N 0 3 326.440 2.760 20 10 EFCDHN COC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000846052997 1280003231 /nfs/dbraw/zinc/00/32/31/1280003231.db2.gz LNDQTVKRMYLRPD-QZTJIDSGSA-N 0 3 343.423 2.553 20 10 EFCDHN COC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000846052997 1280003241 /nfs/dbraw/zinc/00/32/41/1280003241.db2.gz LNDQTVKRMYLRPD-QZTJIDSGSA-N 0 3 343.423 2.553 20 10 EFCDHN C[NH+](C)C[C@@H](CNC(=O)c1cccc(O)c1[O-])c1ccc(Cl)cc1 ZINC000846132306 1280031777 /nfs/dbraw/zinc/03/17/77/1280031777.db2.gz XODSYBNBLZDCPA-CYBMUJFWSA-N 0 3 348.830 2.826 20 10 EFCDHN COc1cccc([C@@H](C)NCc2ccc3c(c2)C(=O)NCC3)c1O ZINC000846166680 1280044094 /nfs/dbraw/zinc/04/40/94/1280044094.db2.gz ZOCHMBPJAWQOBG-GFCCVEGCSA-N 0 3 326.396 2.538 20 10 EFCDHN COc1cccc([C@H](C)N[C@@H](C)C(=O)NCCc2ccccc2)c1O ZINC000846169787 1280045878 /nfs/dbraw/zinc/04/58/78/1280045878.db2.gz UDBZNOSNRSVLEK-GJZGRUSLSA-N 0 3 342.439 2.799 20 10 EFCDHN COCCOc1ncccc1CN[C@@H](C)c1cccc(OC)c1O ZINC000846140267 1280049608 /nfs/dbraw/zinc/04/96/08/1280049608.db2.gz LQVYHRMIWWMQGD-ZDUSSCGKSA-N 0 3 332.400 2.672 20 10 EFCDHN CNC(=O)[C@H](CCSC)[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000806663918 1281129657 /nfs/dbraw/zinc/12/96/57/1281129657.db2.gz XDVLBYFUGPXAKM-DLOVCJGASA-N 0 3 326.437 2.537 20 10 EFCDHN CNC(=O)[C@H](CCSC)[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000806663920 1281129737 /nfs/dbraw/zinc/12/97/37/1281129737.db2.gz XDVLBYFUGPXAKM-USWWRNFRSA-N 0 3 326.437 2.537 20 10 EFCDHN CC1(C)CN(Cc2cc3c(cc2O)OC[C@@H]3O)Cc2ccccc2O1 ZINC000808236636 1281619931 /nfs/dbraw/zinc/61/99/31/1281619931.db2.gz ILCBBVFTWCEBNY-KRWDZBQOSA-N 0 3 341.407 2.991 20 10 EFCDHN CSCC[C@H](NCc1ccc(N2CCCCC2)cc1)C(=O)N(C)C ZINC000808438665 1281712655 /nfs/dbraw/zinc/71/26/55/1281712655.db2.gz JYFOJGNIYKKEJG-SFHVURJKSA-N 0 3 349.544 2.976 20 10 EFCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCS(=O)(=O)CC2CC2)c1[O-] ZINC000808706460 1281865506 /nfs/dbraw/zinc/86/55/06/1281865506.db2.gz KQDGFONFELIGKR-LLVKDONJSA-N 0 3 331.865 2.829 20 10 EFCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H]2CC[C@H](C(=O)N(C)C)O2)c1[O-] ZINC000808710304 1281867452 /nfs/dbraw/zinc/86/74/52/1281867452.db2.gz OYZNNMCEJBOHNS-CORIIIEPSA-N 0 3 340.851 2.640 20 10 EFCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H]2COC3(CCOCC3)O2)c1[O-] ZINC000808713079 1281869110 /nfs/dbraw/zinc/86/91/10/1281869110.db2.gz LBLBJSYDLUNERG-OCCSQVGLSA-N 0 3 341.835 2.927 20 10 EFCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H](C)CN2CCOCC2)c1[O-] ZINC000808697893 1281877314 /nfs/dbraw/zinc/87/73/14/1281877314.db2.gz YGHRJZXVYKUVOE-TZMCWYRMSA-N 0 3 326.868 2.973 20 10 EFCDHN CCN1CCN(c2ccc(N(CCO)c3ccc(N)cc3)cc2)CC1 ZINC001175780912 1287550638 /nfs/dbraw/zinc/55/06/38/1287550638.db2.gz OMTYSHXHYIPSFP-UHFFFAOYSA-N 0 3 340.471 2.541 20 10 EFCDHN CCN(Cc1ccc2c(c1)CCN2Cc1ccccc1)[C@H]1CCNC1=O ZINC000809660453 1282390334 /nfs/dbraw/zinc/39/03/34/1282390334.db2.gz IKOQFBVXANTYBK-NRFANRHFSA-N 0 3 349.478 2.960 20 10 EFCDHN CCN(C)C(=O)OC[C@H]1CCCCN1Cc1cc(OC)ccc1O ZINC000809723327 1282426918 /nfs/dbraw/zinc/42/69/18/1282426918.db2.gz GVRLJGJOFVRGHY-OAHLLOKOSA-N 0 3 336.432 2.844 20 10 EFCDHN CN(C)CC[N@@H+](Cc1cc(Cl)cc(F)c1[O-])C[C@@H]1CCCO1 ZINC000809737012 1282437763 /nfs/dbraw/zinc/43/77/63/1282437763.db2.gz AQVNYUJAEXKDOL-AWEZNQCLSA-N 0 3 330.831 2.727 20 10 EFCDHN CN(C)CC[N@H+](Cc1cc(Cl)cc(F)c1[O-])C[C@@H]1CCCO1 ZINC000809737012 1282437769 /nfs/dbraw/zinc/43/77/69/1282437769.db2.gz AQVNYUJAEXKDOL-AWEZNQCLSA-N 0 3 330.831 2.727 20 10 EFCDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](CCNC(C)=O)C2)c1[O-] ZINC000809777920 1282479011 /nfs/dbraw/zinc/47/90/11/1282479011.db2.gz IRCUHRUCXXWXCL-CYBMUJFWSA-N 0 3 340.851 2.792 20 10 EFCDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@H](CCNC(C)=O)C2)c1[O-] ZINC000809777920 1282479017 /nfs/dbraw/zinc/47/90/17/1282479017.db2.gz IRCUHRUCXXWXCL-CYBMUJFWSA-N 0 3 340.851 2.792 20 10 EFCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000809791027 1282490614 /nfs/dbraw/zinc/49/06/14/1282490614.db2.gz RZSCRIXBCFHHHI-FQEVSTJZSA-N 0 3 345.414 2.967 20 10 EFCDHN COc1cccc([O-])c1C[N@H+]1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000809791027 1282490619 /nfs/dbraw/zinc/49/06/19/1282490619.db2.gz RZSCRIXBCFHHHI-FQEVSTJZSA-N 0 3 345.414 2.967 20 10 EFCDHN CCC[C@]1(CO)CCN(Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000809790787 1282490850 /nfs/dbraw/zinc/49/08/50/1282490850.db2.gz OKRHYMCSKJGAAO-IBGZPJMESA-N 0 3 336.451 2.647 20 10 EFCDHN CN(C)c1ccc(CN2CCCC[C@@H]2COC(=O)NC2CC2)cc1 ZINC000810038772 1282801615 /nfs/dbraw/zinc/80/16/15/1282801615.db2.gz ZNEXUGRFAWCBGK-GOSISDBHSA-N 0 3 331.460 2.996 20 10 EFCDHN CCCC[C@@H](C)N(C)CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000810124447 1282906821 /nfs/dbraw/zinc/90/68/21/1282906821.db2.gz GFWRUILKQSIOEP-QGZVFWFLSA-N 0 3 347.503 2.854 20 10 EFCDHN COc1cc(Br)cc(C[NH2+][C@H](C)CN(C)C(C)C)c1[O-] ZINC000810173075 1282964974 /nfs/dbraw/zinc/96/49/74/1282964974.db2.gz WHCIRAUGCBUSRF-LLVKDONJSA-N 0 3 345.281 2.982 20 10 EFCDHN C[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000815582788 1287612125 /nfs/dbraw/zinc/61/21/25/1287612125.db2.gz PIOYVINDZXLKLW-LLVKDONJSA-N 0 3 332.366 2.518 20 10 EFCDHN C[C@@H]1C[C@@H]([NH2+]Cc2ccc(CC(N)=O)cc2)c2c1c(F)ccc2[O-] ZINC000810242038 1283095959 /nfs/dbraw/zinc/09/59/59/1283095959.db2.gz JEVXWGKPNXZKHS-IAQYHMDHSA-N 0 3 328.387 2.897 20 10 EFCDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+]CC1(CO)COC1 ZINC000815597372 1287624912 /nfs/dbraw/zinc/62/49/12/1287624912.db2.gz UWEWYVHNWBBVIU-SFHVURJKSA-N 0 3 327.424 2.665 20 10 EFCDHN CN1CC[C@](O)(C[NH2+][C@H](CCc2ccccc2)c2ccccc2[O-])C1 ZINC000815616174 1287639539 /nfs/dbraw/zinc/63/95/39/1287639539.db2.gz IBWPXXLXYWLCOX-CTNGQTDRSA-N 0 3 340.467 2.722 20 10 EFCDHN CCN(CC(=O)N1CCN(c2ccc(OC)cc2)CC1)CC(C)(C)C ZINC000812891979 1285511654 /nfs/dbraw/zinc/51/16/54/1285511654.db2.gz BOFVBNPIRJLYKN-UHFFFAOYSA-N 0 3 347.503 2.712 20 10 EFCDHN CCOc1cccc(CNCc2cc3ccccc3n(C)c2=O)c1O ZINC000813790037 1286120330 /nfs/dbraw/zinc/12/03/30/1286120330.db2.gz HIJFABSNKBNLJO-UHFFFAOYSA-N 0 3 338.407 2.933 20 10 EFCDHN CN(C)CCn1cc(Nc2ccccc2C(=O)c2ccncc2)cn1 ZINC001176452481 1287989618 /nfs/dbraw/zinc/98/96/18/1287989618.db2.gz QEUNHUJKPFXXFO-UHFFFAOYSA-N 0 3 335.411 2.814 20 10 EFCDHN C[C@H](C[NH2+]Cc1ccc2ccccc2c1[O-])CN1CCN(C)CC1 ZINC000816547552 1288198488 /nfs/dbraw/zinc/19/84/88/1288198488.db2.gz AAYCYHMCEQMQQP-MRXNPFEDSA-N 0 3 327.472 2.519 20 10 EFCDHN CN(CC[N@H+](C)C1CCN(C)CC1)Cc1cc(Cl)c(F)cc1[O-] ZINC000816610784 1288225106 /nfs/dbraw/zinc/22/51/06/1288225106.db2.gz YGUHVUFYZTWTCG-UHFFFAOYSA-N 0 3 343.874 2.643 20 10 EFCDHN CN(CC[N@@H+](C)C1CCN(C)CC1)Cc1cc(Cl)c(F)cc1[O-] ZINC000816610784 1288225110 /nfs/dbraw/zinc/22/51/10/1288225110.db2.gz YGUHVUFYZTWTCG-UHFFFAOYSA-N 0 3 343.874 2.643 20 10 EFCDHN CN1CCC[C@@]2(CC[N@H+](Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])C2)C1 ZINC000816641899 1288227215 /nfs/dbraw/zinc/22/72/15/1288227215.db2.gz JQKOHYJKBJIJSB-MRXNPFEDSA-N 0 3 339.823 2.872 20 10 EFCDHN CN1CCC[C@@]2(CC[N@@H+](Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])C2)C1 ZINC000816641899 1288227221 /nfs/dbraw/zinc/22/72/21/1288227221.db2.gz JQKOHYJKBJIJSB-MRXNPFEDSA-N 0 3 339.823 2.872 20 10 EFCDHN COc1cc(Cl)cc(CN[C@@H](CC(N)=O)c2ccccc2)c1O ZINC000816653183 1288229276 /nfs/dbraw/zinc/22/92/76/1288229276.db2.gz JEJSMZDESZXHAS-AWEZNQCLSA-N 0 3 334.803 2.761 20 10 EFCDHN CCc1nocc1CN(C)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000816652736 1288229869 /nfs/dbraw/zinc/22/98/69/1288229869.db2.gz SDTAUQVALGKMTE-UHFFFAOYSA-N 0 3 328.460 2.621 20 10 EFCDHN CCOc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3CCOC)c([O-])c1 ZINC000816659220 1288231812 /nfs/dbraw/zinc/23/18/12/1288231812.db2.gz FMDXZEVHSNIQAK-JWTNVVGKSA-N 0 3 348.487 2.865 20 10 EFCDHN CCOc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3CCOC)c([O-])c1 ZINC000816659220 1288231815 /nfs/dbraw/zinc/23/18/15/1288231815.db2.gz FMDXZEVHSNIQAK-JWTNVVGKSA-N 0 3 348.487 2.865 20 10 EFCDHN CC[C@@H]1CN(C)CCN1Cc1cc(Br)cc(C)c1O ZINC000816660551 1288232290 /nfs/dbraw/zinc/23/22/90/1288232290.db2.gz IISCNVDGEAKKQQ-CQSZACIVSA-N 0 3 327.266 2.989 20 10 EFCDHN O=[N+]([O-])c1cc(CN2CCC[C@H](O)CC2)ccc1N1CCCCC1 ZINC000816667085 1288235434 /nfs/dbraw/zinc/23/54/34/1288235434.db2.gz CIJNUWBTGGUDHZ-INIZCTEOSA-N 0 3 333.432 2.932 20 10 EFCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H](CC(F)(F)F)C1)[C@@H](O)CO2 ZINC000817365475 1288579566 /nfs/dbraw/zinc/57/95/66/1288579566.db2.gz UDNPCIWEMZUGOH-HZMBPMFUSA-N 0 3 331.334 2.982 20 10 EFCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H](CC(F)(F)F)C1)[C@@H](O)CO2 ZINC000817365475 1288579568 /nfs/dbraw/zinc/57/95/68/1288579568.db2.gz UDNPCIWEMZUGOH-HZMBPMFUSA-N 0 3 331.334 2.982 20 10 EFCDHN CN(C)c1ccc(NCc2ccc(N3CCN(C)CC3)cc2)nc1 ZINC000817409018 1288589271 /nfs/dbraw/zinc/58/92/71/1288589271.db2.gz WISFNKVPUORNBG-UHFFFAOYSA-N 0 3 325.460 2.512 20 10 EFCDHN Cc1cc(Br)cc(C[N@@H+]2C[C@H](C)C[C@H](CO)C2)c1[O-] ZINC000817411981 1288590538 /nfs/dbraw/zinc/59/05/38/1288590538.db2.gz ALQVXVHUSGZNSA-PWSUYJOCSA-N 0 3 328.250 2.913 20 10 EFCDHN Cc1cc(Br)cc(C[N@H+]2C[C@H](C)C[C@H](CO)C2)c1[O-] ZINC000817411981 1288590539 /nfs/dbraw/zinc/59/05/39/1288590539.db2.gz ALQVXVHUSGZNSA-PWSUYJOCSA-N 0 3 328.250 2.913 20 10 EFCDHN COc1cc(Br)cc(CN2C[C@H](C)C[C@@H](CO)C2)c1O ZINC000817412548 1288591814 /nfs/dbraw/zinc/59/18/14/1288591814.db2.gz MLNNKAMNAQGANH-GHMZBOCLSA-N 0 3 344.249 2.614 20 10 EFCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+][C@@H]1CCc2nnnn2CC1 ZINC000817418906 1288593800 /nfs/dbraw/zinc/59/38/00/1288593800.db2.gz KOFRFVNRZQXJBL-QGZVFWFLSA-N 0 3 335.411 2.540 20 10 EFCDHN COc1ccc(N2CC[C@@H](CNC(=O)[C@H]3CCCN3C(C)C)C2)cc1 ZINC000823201785 1289241030 /nfs/dbraw/zinc/24/10/30/1289241030.db2.gz JPRJGFTWDCPPRL-QFBILLFUSA-N 0 3 345.487 2.511 20 10 EFCDHN COC(=O)c1c(CN2CC[C@@](C)(O)[C@@H](C)C2)c2ccccc2n1C ZINC001232402362 1312693904 /nfs/dbraw/zinc/69/39/04/1312693904.db2.gz MBJAJMDMMNATIY-ORAYPTAESA-N 0 3 330.428 2.558 20 10 EFCDHN COC(=O)c1c(CN2C[C@@H](CO)CC[C@@H]2C)c2ccccc2n1C ZINC001232401904 1312694026 /nfs/dbraw/zinc/69/40/26/1312694026.db2.gz GJDBOLIDQCIEDQ-KBPBESRZSA-N 0 3 330.428 2.558 20 10 EFCDHN COC(=O)c1c(CN2CC[C@@H](O)[C@@H](C)CC2)c2ccccc2n1C ZINC001232402578 1312694070 /nfs/dbraw/zinc/69/40/70/1312694070.db2.gz PQXWQQQQIREPPF-SUMWQHHRSA-N 0 3 330.428 2.558 20 10 EFCDHN COC(=O)c1c(CN2C[C@H](CO)CC[C@H]2C)c2ccccc2n1C ZINC001232401907 1312694183 /nfs/dbraw/zinc/69/41/83/1312694183.db2.gz GJDBOLIDQCIEDQ-ZIAGYGMSSA-N 0 3 330.428 2.558 20 10 EFCDHN COC(=O)c1c(CN2CCCC[C@](O)(CF)C2)c2ccccc2n1C ZINC001232401717 1312694500 /nfs/dbraw/zinc/69/45/00/1312694500.db2.gz CIJUJHKKHLNYQH-IBGZPJMESA-N 0 3 348.418 2.651 20 10 EFCDHN CCCOc1ccc(CNC[C@H]2CCCCS2(=O)=O)cc1C ZINC000873105272 1289570169 /nfs/dbraw/zinc/57/01/69/1289570169.db2.gz YFSXWIXLMMUXIV-MRXNPFEDSA-N 0 3 325.474 2.841 20 10 EFCDHN CCOc1ccc(C[NH2+]CCn2ccc(C(F)(F)F)n2)c([O-])c1 ZINC000873158114 1289609189 /nfs/dbraw/zinc/60/91/89/1289609189.db2.gz QVFBNIDSIPJUCF-UHFFFAOYSA-N 0 3 329.322 2.796 20 10 EFCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H](O)Cc2cccc(F)c2)c1[O-] ZINC000824509935 1289694562 /nfs/dbraw/zinc/69/45/62/1289694562.db2.gz QQPVGDNVNCGWEN-HNNXBMFYSA-N 0 3 339.794 2.887 20 10 EFCDHN CN1CCN(c2ccc(CNCc3cc(F)cnc3Cl)cc2)CC1 ZINC000824538176 1289708573 /nfs/dbraw/zinc/70/85/73/1289708573.db2.gz MONYQWUHZIQUCG-UHFFFAOYSA-N 0 3 348.853 2.916 20 10 EFCDHN COc1cc(Br)cc(C[NH2+]C[C@H](C)CCCO)c1[O-] ZINC000824602892 1289721970 /nfs/dbraw/zinc/72/19/70/1289721970.db2.gz GBLSNKNGGXBHQY-SNVBAGLBSA-N 0 3 332.238 2.662 20 10 EFCDHN COc1cc(Br)cc(C[NH2+]C[C@@H](C)CCCO)c1[O-] ZINC000824602891 1289722032 /nfs/dbraw/zinc/72/20/32/1289722032.db2.gz GBLSNKNGGXBHQY-JTQLQIEISA-N 0 3 332.238 2.662 20 10 EFCDHN C[C@H](NC(=O)CN(C)CC(C)(C)C)c1ccc(N2CCOCC2)cc1 ZINC000874196979 1290225576 /nfs/dbraw/zinc/22/55/76/1290225576.db2.gz CDKLMBOUDYAQHR-INIZCTEOSA-N 0 3 347.503 2.678 20 10 EFCDHN CN1CCCc2cc(CNC(=O)[C@H]3CCN3C3CCCC3)ccc21 ZINC000874251488 1290236422 /nfs/dbraw/zinc/23/64/22/1290236422.db2.gz LJBFRTZHPMPTAJ-LJQANCHMSA-N 0 3 327.472 2.702 20 10 EFCDHN Cc1ccc(O)c(CNC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000875003800 1290439307 /nfs/dbraw/zinc/43/93/07/1290439307.db2.gz FXHKQCKCMGEXKT-GOSISDBHSA-N 0 3 339.439 2.774 20 10 EFCDHN CN(C)c1ccc(CN2CCc3cc4c(cc3C2)OCO4)c(O)c1 ZINC001232836580 1312791796 /nfs/dbraw/zinc/79/17/96/1312791796.db2.gz QHQHINXFFURZTO-UHFFFAOYSA-N 0 3 326.396 2.745 20 10 EFCDHN CN(C)c1ccc(CN2CCN(c3cccc(F)c3)CC2)c(O)c1 ZINC001232841442 1312792949 /nfs/dbraw/zinc/79/29/49/1312792949.db2.gz GOYQEASNAYYKNZ-UHFFFAOYSA-N 0 3 329.419 2.920 20 10 EFCDHN CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1Cc1ccc(N(C)C)cc1O ZINC001232841216 1312793064 /nfs/dbraw/zinc/79/30/64/1312793064.db2.gz YOUKEKQGCBVZKM-OWQGQXMQSA-N 0 3 332.444 2.622 20 10 EFCDHN CCC[N@H+](Cc1ccc(N(C)C)cc1[O-])C1CCN(C(C)=O)CC1 ZINC001232840221 1312793366 /nfs/dbraw/zinc/79/33/66/1312793366.db2.gz PQSAYQQRAMXPLD-UHFFFAOYSA-N 0 3 333.476 2.681 20 10 EFCDHN CCC[N@@H+](Cc1ccc(N(C)C)cc1[O-])C1CCN(C(C)=O)CC1 ZINC001232840221 1312793370 /nfs/dbraw/zinc/79/33/70/1312793370.db2.gz PQSAYQQRAMXPLD-UHFFFAOYSA-N 0 3 333.476 2.681 20 10 EFCDHN COc1ccc(C[NH+]2CCC(Oc3ccc(Cl)nn3)CC2)c([O-])c1 ZINC001203634650 1290901426 /nfs/dbraw/zinc/90/14/26/1290901426.db2.gz PLXXKNGLRKEODF-UHFFFAOYSA-N 0 3 349.818 2.888 20 10 EFCDHN CCOc1ccnc(N2CCC[N@H+](Cc3c(C)cccc3[O-])CC2)n1 ZINC000876808867 1291029196 /nfs/dbraw/zinc/02/91/96/1291029196.db2.gz VBPNOJVGYKUGBG-UHFFFAOYSA-N 0 3 342.443 2.602 20 10 EFCDHN CCOc1ccnc(N2CCC[N@@H+](Cc3c(C)cccc3[O-])CC2)n1 ZINC000876808867 1291029208 /nfs/dbraw/zinc/02/92/08/1291029208.db2.gz VBPNOJVGYKUGBG-UHFFFAOYSA-N 0 3 342.443 2.602 20 10 EFCDHN Cc1ccc(C[NH2+]C[C@H]2CN(Cc3ccccc3)CCO2)c([O-])c1 ZINC000876904835 1291067927 /nfs/dbraw/zinc/06/79/27/1291067927.db2.gz LSDLAJWHMBETNS-IBGZPJMESA-N 0 3 326.440 2.691 20 10 EFCDHN Cc1ccc(C[NH2+]C[C@@H]2CN(Cc3ccccc3)CCO2)c([O-])c1 ZINC000876904836 1291068030 /nfs/dbraw/zinc/06/80/30/1291068030.db2.gz LSDLAJWHMBETNS-LJQANCHMSA-N 0 3 326.440 2.691 20 10 EFCDHN CCOC(=O)c1ccc(CNCc2ccc3c(c2)CCCN3C)[nH]1 ZINC000876986592 1291098805 /nfs/dbraw/zinc/09/88/05/1291098805.db2.gz GWWMMLWOCGAXSC-UHFFFAOYSA-N 0 3 327.428 2.864 20 10 EFCDHN OCC[C@H](NCc1ccc(N2CCC(O)CC2)cc1)c1cccs1 ZINC000877050284 1291116678 /nfs/dbraw/zinc/11/66/78/1291116678.db2.gz KTMCHKOVVKTPNE-SFHVURJKSA-N 0 3 346.496 2.923 20 10 EFCDHN COC(=O)[C@@]1(C(F)(F)F)CCN(Cc2cc(OC)c(C)cc2O)C1 ZINC000795685923 1291197055 /nfs/dbraw/zinc/19/70/55/1291197055.db2.gz CVJWBRUVUFWOPV-OAHLLOKOSA-N 0 3 347.333 2.637 20 10 EFCDHN Cc1ccc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c([O-])c1 ZINC000877637009 1291301856 /nfs/dbraw/zinc/30/18/56/1291301856.db2.gz MXEMGDKDIXHLJR-UHFFFAOYSA-N 0 3 326.440 2.952 20 10 EFCDHN CCN(CC)c1ccc(CN2CCC3(CCNC3=O)CC2)cc1F ZINC000877782782 1291376520 /nfs/dbraw/zinc/37/65/20/1291376520.db2.gz OCBLPEOGAPPTQD-UHFFFAOYSA-N 0 3 333.451 2.774 20 10 EFCDHN C[N@@H+]1CC[C@@]2(CCN(Cc3ccc(Br)cc3[O-])C2)C1 ZINC000691680841 1291681807 /nfs/dbraw/zinc/68/18/07/1291681807.db2.gz VRRAQDPHBYGRNM-OAHLLOKOSA-N 0 3 325.250 2.682 20 10 EFCDHN C[N@H+]1CC[C@@]2(CCN(Cc3ccc(Br)cc3[O-])C2)C1 ZINC000691680841 1291681811 /nfs/dbraw/zinc/68/18/11/1291681811.db2.gz VRRAQDPHBYGRNM-OAHLLOKOSA-N 0 3 325.250 2.682 20 10 EFCDHN COc1cccc([O-])c1C[N@H+]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000796029034 1291888413 /nfs/dbraw/zinc/88/84/13/1291888413.db2.gz HTLCVLHWYKLEIN-OKILXGFUSA-N 0 3 348.443 2.700 20 10 EFCDHN COc1cccc([O-])c1C[N@@H+]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000796029034 1291888428 /nfs/dbraw/zinc/88/84/28/1291888428.db2.gz HTLCVLHWYKLEIN-OKILXGFUSA-N 0 3 348.443 2.700 20 10 EFCDHN CCOC(=O)c1c(CN2CC[C@](C)(O)[C@@H](C)C2)c2ccccc2n1C ZINC001233270098 1312889207 /nfs/dbraw/zinc/88/92/07/1312889207.db2.gz ACVOHGLZIAZCOL-XOBRGWDASA-N 0 3 344.455 2.948 20 10 EFCDHN CCOC(=O)c1c(CN2CC[C@](C)(CO)C2)c2ccccc2n1C ZINC001233270430 1312890086 /nfs/dbraw/zinc/89/00/86/1312890086.db2.gz NMDKQNZSJRLRKI-IBGZPJMESA-N 0 3 330.428 2.559 20 10 EFCDHN CCOC(=O)c1c(CN2CC[C@H](C)[C@@H](O)CC2)c2ccccc2n1C ZINC001233270233 1312890135 /nfs/dbraw/zinc/89/01/35/1312890135.db2.gz FZTULVVWCXLZFH-KSSFIOAISA-N 0 3 344.455 2.948 20 10 EFCDHN COC(=O)[C@@H]1CCCN(Cc2cc(Cl)cc(OC)c2O)[C@@H]1C ZINC001233290299 1312896384 /nfs/dbraw/zinc/89/63/84/1312896384.db2.gz VIFWZWKDABJZMM-ZWNOBZJWSA-N 0 3 327.808 2.828 20 10 EFCDHN COC(=O)[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(OC)c2[O-])[C@@H]1C ZINC001233290299 1312896388 /nfs/dbraw/zinc/89/63/88/1312896388.db2.gz VIFWZWKDABJZMM-ZWNOBZJWSA-N 0 3 327.808 2.828 20 10 EFCDHN COC(=O)[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(OC)c2[O-])[C@@H]1C ZINC001233290299 1312896392 /nfs/dbraw/zinc/89/63/92/1312896392.db2.gz VIFWZWKDABJZMM-ZWNOBZJWSA-N 0 3 327.808 2.828 20 10 EFCDHN COc1cc(CN[C@H](C)c2ccc(N(C)C)cc2)ccc1OCCO ZINC000127662165 1292073417 /nfs/dbraw/zinc/07/34/17/1292073417.db2.gz KMZXHLPGADSSHJ-OAHLLOKOSA-N 0 3 344.455 2.983 20 10 EFCDHN COc1ccc(O)c([C@@H](C)N[C@H](C)C(=O)NCCc2ccccc2)c1 ZINC000775372507 1292102086 /nfs/dbraw/zinc/10/20/86/1292102086.db2.gz CRCZPVPGVBWCOK-HUUCEWRRSA-N 0 3 342.439 2.799 20 10 EFCDHN COc1ccc(O)c([C@H](C)NCC(=O)NCCc2ccc(F)cc2)c1 ZINC000775376345 1292124255 /nfs/dbraw/zinc/12/42/55/1292124255.db2.gz UGWICUKFIJFUFH-ZDUSSCGKSA-N 0 3 346.402 2.549 20 10 EFCDHN COc1ccc(O)c([C@@H](C)NCC(=O)N(CC(F)(F)F)C(C)C)c1 ZINC000775376695 1292124479 /nfs/dbraw/zinc/12/44/79/1292124479.db2.gz YCAGHFVXDFKSHB-LLVKDONJSA-N 0 3 348.365 2.851 20 10 EFCDHN C[C@@H]([NH2+]CCOc1cccc(S(C)(=O)=O)c1)c1ccccc1[O-] ZINC000879648666 1292219086 /nfs/dbraw/zinc/21/90/86/1292219086.db2.gz YMXHAUZPTCJKGQ-CYBMUJFWSA-N 0 3 335.425 2.525 20 10 EFCDHN COc1ccc(COC[C@H](O)C[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000879650069 1292220616 /nfs/dbraw/zinc/22/06/16/1292220616.db2.gz ZSSXMAORZXJCPK-GDBMZVCRSA-N 0 3 331.412 2.629 20 10 EFCDHN CN(Cc1ccc(-n2ccnc2)cc1)Cc1cc(O)c(O)cc1O ZINC001233487146 1312940835 /nfs/dbraw/zinc/94/08/35/1312940835.db2.gz RXHZNJIPGUGNOQ-UHFFFAOYSA-N 0 3 325.368 2.621 20 10 EFCDHN CC[C@H]([NH2+]Cc1cccc(OCC(=O)NC)c1)c1ccccc1[O-] ZINC000775491256 1292695758 /nfs/dbraw/zinc/69/57/58/1292695758.db2.gz GQDIQHJEVRPUCT-KRWDZBQOSA-N 0 3 328.412 2.758 20 10 EFCDHN CC[C@H](N)c1cn(CC(=O)c2cc(C)n(-c3ccccc3)c2C)nn1 ZINC000880981747 1292709363 /nfs/dbraw/zinc/70/93/63/1292709363.db2.gz CJIRBNCXDCITRT-KRWDZBQOSA-N 0 3 337.427 2.978 20 10 EFCDHN CC[C@H]([NH2+]C[C@@H](C)CN1CCN(C)CC1)c1cc(Cl)ccc1[O-] ZINC000775498097 1292752693 /nfs/dbraw/zinc/75/26/93/1292752693.db2.gz HDMNJNUIWLACTE-PBHICJAKSA-N 0 3 339.911 2.970 20 10 EFCDHN CC[C@@H]([NH2+]C[C@@H](C)CN1CCN(C)CC1)c1cc(Cl)ccc1[O-] ZINC000775498098 1292752860 /nfs/dbraw/zinc/75/28/60/1292752860.db2.gz HDMNJNUIWLACTE-RHSMWYFYSA-N 0 3 339.911 2.970 20 10 EFCDHN Cc1nc(CN2C(=O)C[C@@H]3[C@@H]2CC[N@@H+]3Cc2ccccc2[O-])cs1 ZINC001203552670 1312953934 /nfs/dbraw/zinc/95/39/34/1312953934.db2.gz PTYMSKLRVPBPCR-JKSUJKDBSA-N 0 3 343.452 2.533 20 10 EFCDHN Cc1nc(CN2C(=O)C[C@@H]3[C@@H]2CC[N@H+]3Cc2ccccc2[O-])cs1 ZINC001203552670 1312953938 /nfs/dbraw/zinc/95/39/38/1312953938.db2.gz PTYMSKLRVPBPCR-JKSUJKDBSA-N 0 3 343.452 2.533 20 10 EFCDHN CC(C)C(=O)NC[C@H]1CCC[C@]2(CC[N@H+](Cc3ccccc3[O-])C2)O1 ZINC001203552586 1312954041 /nfs/dbraw/zinc/95/40/41/1312954041.db2.gz ONSHDHCDJHSIIH-YLJYHZDGSA-N 0 3 346.471 2.678 20 10 EFCDHN CC(C)C(=O)NC[C@H]1CCC[C@]2(CC[N@@H+](Cc3ccccc3[O-])C2)O1 ZINC001203552586 1312954042 /nfs/dbraw/zinc/95/40/42/1312954042.db2.gz ONSHDHCDJHSIIH-YLJYHZDGSA-N 0 3 346.471 2.678 20 10 EFCDHN [NH3+]C[C@]1(F)CCCN(Cc2c([O-])cc(Br)cc2F)CC1 ZINC001205580181 1292807195 /nfs/dbraw/zinc/80/71/95/1292807195.db2.gz RBMBYGRRMDKTMK-AWEZNQCLSA-N 0 3 349.219 2.947 20 10 EFCDHN [O-]c1ccccc1C[NH+]1CCC2(C[C@H](Oc3cccnc3)CO2)CC1 ZINC001203551480 1312954154 /nfs/dbraw/zinc/95/41/54/1312954154.db2.gz FIZLNFXUMMUPJM-SFHVURJKSA-N 0 3 340.423 2.990 20 10 EFCDHN O=C(c1ccsc1)N1C[C@@H]2C[NH+](Cc3ccccc3[O-])C[C@H]2C1 ZINC001203552695 1312954365 /nfs/dbraw/zinc/95/43/65/1312954365.db2.gz QSBYSPUYSFNZCH-HOTGVXAUSA-N 0 3 328.437 2.658 20 10 EFCDHN O=C1NC[C@@H](c2ccccc2)C12CC[NH+](Cc1ccccc1[O-])CC2 ZINC001203552991 1312955131 /nfs/dbraw/zinc/95/51/31/1312955131.db2.gz XRGWOIIUTOFJGO-SFHVURJKSA-N 0 3 336.435 2.888 20 10 EFCDHN COCCOc1ccc(N2CC[NH+](Cc3ccccc3[O-])CC2)cc1 ZINC001203561566 1312956115 /nfs/dbraw/zinc/95/61/15/1312956115.db2.gz WENZPOFJPGBZBE-UHFFFAOYSA-N 0 3 342.439 2.740 20 10 EFCDHN CN(C)Cc1cnc(CNCCCSc2nccs2)s1 ZINC000796311661 1292860376 /nfs/dbraw/zinc/86/03/76/1292860376.db2.gz YSQFEDRMITVDIQ-UHFFFAOYSA-N 0 3 328.532 2.933 20 10 EFCDHN COc1cccc(CN2CCC(Oc3ncncc3C)CC2)c1O ZINC001203601727 1312967700 /nfs/dbraw/zinc/96/77/00/1312967700.db2.gz INSUFSNEATZXQP-UHFFFAOYSA-N 0 3 329.400 2.543 20 10 EFCDHN COc1cccc(CN2CCC[C@@H](Oc3nccnc3C)C2)c1O ZINC001203601885 1312968040 /nfs/dbraw/zinc/96/80/40/1312968040.db2.gz PNEVTMRBOYJLHW-OAHLLOKOSA-N 0 3 329.400 2.543 20 10 EFCDHN COc1ccc(C[N@@H+]2CCCN(Cc3ccncc3)CC2)c([O-])c1 ZINC001203621286 1312973394 /nfs/dbraw/zinc/97/33/94/1312973394.db2.gz RHXIGOLLZBNVNG-UHFFFAOYSA-N 0 3 327.428 2.504 20 10 EFCDHN COc1ccc(C[N@H+]2CCCN(Cc3ccncc3)CC2)c([O-])c1 ZINC001203621286 1312973397 /nfs/dbraw/zinc/97/33/97/1312973397.db2.gz RHXIGOLLZBNVNG-UHFFFAOYSA-N 0 3 327.428 2.504 20 10 EFCDHN COc1ccc(C[N@@H+]2CC[C@@]3(CCN3C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001203622241 1312973569 /nfs/dbraw/zinc/97/35/69/1312973569.db2.gz VGHOETJBNHCYJY-LJQANCHMSA-N 0 3 348.443 2.986 20 10 EFCDHN COc1ccc(C[N@H+]2CC[C@@]3(CCN3C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001203622241 1312973572 /nfs/dbraw/zinc/97/35/72/1312973572.db2.gz VGHOETJBNHCYJY-LJQANCHMSA-N 0 3 348.443 2.986 20 10 EFCDHN COc1ccc(C[NH+]2CCC3(C[C@H](OCC4CC4)CO3)CC2)c([O-])c1 ZINC001203623242 1312974209 /nfs/dbraw/zinc/97/42/09/1312974209.db2.gz NQMDTHFPEXQGJO-SFHVURJKSA-N 0 3 347.455 2.951 20 10 EFCDHN COCC[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1ccc(OC)cc1[O-])C2 ZINC001203623626 1312974623 /nfs/dbraw/zinc/97/46/23/1312974623.db2.gz VJCORIAGXRQZLK-KXBFYZLASA-N 0 3 335.444 2.808 20 10 EFCDHN COCC[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1ccc(OC)cc1[O-])C2 ZINC001203623626 1312974625 /nfs/dbraw/zinc/97/46/25/1312974625.db2.gz VJCORIAGXRQZLK-KXBFYZLASA-N 0 3 335.444 2.808 20 10 EFCDHN COc1ccc(C[NH+]2CCC(Oc3cccc(OC)n3)CC2)c([O-])c1 ZINC001203635450 1312977527 /nfs/dbraw/zinc/97/75/27/1312977527.db2.gz VHUWNIXHSKVKFL-UHFFFAOYSA-N 0 3 344.411 2.848 20 10 EFCDHN COc1ccc(C[N@@H+]2CCC[C@H](Oc3ncncc3C)C2)c([O-])c1 ZINC001203635440 1312977562 /nfs/dbraw/zinc/97/75/62/1312977562.db2.gz VBQAGFFEIFKBAO-INIZCTEOSA-N 0 3 329.400 2.543 20 10 EFCDHN COc1ccc(C[N@H+]2CCC[C@H](Oc3ncncc3C)C2)c([O-])c1 ZINC001203635440 1312977566 /nfs/dbraw/zinc/97/75/66/1312977566.db2.gz VBQAGFFEIFKBAO-INIZCTEOSA-N 0 3 329.400 2.543 20 10 EFCDHN COc1ccc(O[C@H]2CCC[N@H+](Cc3ccc(OC)cc3[O-])C2)nc1 ZINC001203635160 1312977858 /nfs/dbraw/zinc/97/78/58/1312977858.db2.gz MABOLEPNYFCCKC-KRWDZBQOSA-N 0 3 344.411 2.848 20 10 EFCDHN COc1ccc(O[C@H]2CCC[N@@H+](Cc3ccc(OC)cc3[O-])C2)nc1 ZINC001203635160 1312977861 /nfs/dbraw/zinc/97/78/61/1312977861.db2.gz MABOLEPNYFCCKC-KRWDZBQOSA-N 0 3 344.411 2.848 20 10 EFCDHN C[N@@H+]1C[C@H]2CCCN(Cc3cc(Br)ccc3[O-])[C@@H]2C1 ZINC001203645796 1312979562 /nfs/dbraw/zinc/97/95/62/1312979562.db2.gz SPAHYRZBFUNKMD-BXUZGUMPSA-N 0 3 325.250 2.681 20 10 EFCDHN C[N@H+]1C[C@H]2CCCN(Cc3cc(Br)ccc3[O-])[C@@H]2C1 ZINC001203645796 1312979564 /nfs/dbraw/zinc/97/95/64/1312979564.db2.gz SPAHYRZBFUNKMD-BXUZGUMPSA-N 0 3 325.250 2.681 20 10 EFCDHN CC[NH+](CC)CCN1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC001203648586 1312979986 /nfs/dbraw/zinc/97/99/86/1312979986.db2.gz MTENEGGOYORLDR-UHFFFAOYSA-N 0 3 325.884 2.505 20 10 EFCDHN Cc1nc(CC[N@@H+](C)Cc2cccc(OC(F)(F)F)c2[O-])no1 ZINC001233737146 1312981765 /nfs/dbraw/zinc/98/17/65/1312981765.db2.gz XBXJFGSNHXVTBH-UHFFFAOYSA-N 0 3 331.294 2.657 20 10 EFCDHN Cc1nc(CC[N@H+](C)Cc2cccc(OC(F)(F)F)c2[O-])no1 ZINC001233737146 1312981769 /nfs/dbraw/zinc/98/17/69/1312981769.db2.gz XBXJFGSNHXVTBH-UHFFFAOYSA-N 0 3 331.294 2.657 20 10 EFCDHN COc1ccc(O)c(CN2C[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]32)c1 ZINC001203671069 1312985690 /nfs/dbraw/zinc/98/56/90/1312985690.db2.gz IPTAEAPAQHYYFI-HOCLYGCPSA-N 0 3 348.443 2.842 20 10 EFCDHN COc1ccc(O)c(CN2CC[C@@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)c1 ZINC001203671142 1312986031 /nfs/dbraw/zinc/98/60/31/1312986031.db2.gz KPNLFDXOTILVGZ-JKSUJKDBSA-N 0 3 348.443 2.985 20 10 EFCDHN CCOC(=O)[C@H]1CC[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])C1 ZINC001233761311 1312986068 /nfs/dbraw/zinc/98/60/68/1312986068.db2.gz REQVSJQRMNINGI-NSHDSACASA-N 0 3 333.306 2.676 20 10 EFCDHN CCOC(=O)[C@H]1CC[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])C1 ZINC001233761311 1312986072 /nfs/dbraw/zinc/98/60/72/1312986072.db2.gz REQVSJQRMNINGI-NSHDSACASA-N 0 3 333.306 2.676 20 10 EFCDHN COC(=O)[C@@H]1C[C@@H](C)C[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])C1 ZINC001233760581 1312986188 /nfs/dbraw/zinc/98/61/88/1312986188.db2.gz HYTVBIDVTKLJQD-ZYHUDNBSSA-N 0 3 347.333 2.922 20 10 EFCDHN COC(=O)[C@@H]1C[C@@H](C)C[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])C1 ZINC001233760581 1312986189 /nfs/dbraw/zinc/98/61/89/1312986189.db2.gz HYTVBIDVTKLJQD-ZYHUDNBSSA-N 0 3 347.333 2.922 20 10 EFCDHN COc1ccc(O)c(CN2CCC(Oc3ncncc3C)CC2)c1 ZINC001203681054 1312989255 /nfs/dbraw/zinc/98/92/55/1312989255.db2.gz NAKWCFOCGGBNKK-UHFFFAOYSA-N 0 3 329.400 2.543 20 10 EFCDHN CCCN(CCNS(=O)(=O)c1ccccc1)Cc1ccccc1O ZINC000130729498 1293428166 /nfs/dbraw/zinc/42/81/66/1293428166.db2.gz TWSSXAAISSKQMZ-UHFFFAOYSA-N 0 3 348.468 2.583 20 10 EFCDHN C[C@H]1CN(CCCC[NH2+]Cc2cc(F)cc(F)c2[O-])C[C@H](C)O1 ZINC000883015288 1293431184 /nfs/dbraw/zinc/43/11/84/1293431184.db2.gz OGQFEFAFIYJIEF-STQMWFEESA-N 0 3 328.403 2.649 20 10 EFCDHN CNC(=O)c1ccc(CN(Cc2cc(OC)ccc2O)C2CC2)cc1 ZINC000775648945 1293876336 /nfs/dbraw/zinc/87/63/36/1293876336.db2.gz IABVOFOVWCMQMF-UHFFFAOYSA-N 0 3 340.423 2.925 20 10 EFCDHN COc1ccc(O)c(CN(C)Cc2ccc(C(=O)NC3CC3)cc2)c1 ZINC000775649038 1293877247 /nfs/dbraw/zinc/87/72/47/1293877247.db2.gz ITGFMRFBVYYHBH-UHFFFAOYSA-N 0 3 340.423 2.925 20 10 EFCDHN COCCN(Cc1ccco1)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775657220 1293929283 /nfs/dbraw/zinc/92/92/83/1293929283.db2.gz YTDFRLCLIXTCKA-UHFFFAOYSA-N 0 3 343.471 2.680 20 10 EFCDHN Cc1ccc(CN2CC[C@@H]3[C@@H]2CCN3Cc2ccc(O)c(O)c2)o1 ZINC001203878889 1313039998 /nfs/dbraw/zinc/03/99/98/1313039998.db2.gz XPKWTGIVKNVOAM-SJORKVTESA-N 0 3 328.412 2.848 20 10 EFCDHN CC(C)(C)OC(=O)N1CC[C@@H]2CN(Cc3ccc(O)c(O)c3)C[C@@H]2C1 ZINC001203882897 1313040637 /nfs/dbraw/zinc/04/06/37/1313040637.db2.gz WMUPDVYDNVWFQH-HUUCEWRRSA-N 0 3 348.443 2.787 20 10 EFCDHN CN(C)c1ccc(CN2CC[C@@H](F)[C@](O)(C(F)(F)F)CC2)cc1 ZINC001203931923 1313049917 /nfs/dbraw/zinc/04/99/17/1313049917.db2.gz YQLIEVGOEJOGSJ-CABCVRRESA-N 0 3 334.357 2.980 20 10 EFCDHN COc1ccnc(O[C@@H]2CCCN(Cc3ccc(N(C)C)cc3)C2)n1 ZINC001203937173 1313051767 /nfs/dbraw/zinc/05/17/67/1313051767.db2.gz QUIOBZBTVGJSLX-QGZVFWFLSA-N 0 3 342.443 2.595 20 10 EFCDHN Cc1ccnc(OC2CCN(Cc3ccc(N(C)C)cc3)CC2)n1 ZINC001203937553 1313051841 /nfs/dbraw/zinc/05/18/41/1313051841.db2.gz WLWQBKYEPYXJQC-UHFFFAOYSA-N 0 3 326.444 2.894 20 10 EFCDHN CCN(CC)c1ccc(CN2CCC(NC(=O)N(C)C)CC2)cc1 ZINC001203946819 1313052561 /nfs/dbraw/zinc/05/25/61/1313052561.db2.gz XPBOZCLMZQIKTD-UHFFFAOYSA-N 0 3 332.492 2.768 20 10 EFCDHN O=C1N[C@@H](c2ccccc2)C12CC[NH+](Cc1ccc(O)cc1[O-])CC2 ZINC001204274755 1313113540 /nfs/dbraw/zinc/11/35/40/1313113540.db2.gz IMJGYAODMFQKSF-SFHVURJKSA-N 0 3 338.407 2.551 20 10 EFCDHN O=C1CC[C@@H]2[C@@H](CC[N@H+]2Cc2ccc(O)cc2[O-])N1c1ccccc1 ZINC001204274319 1313113701 /nfs/dbraw/zinc/11/37/01/1313113701.db2.gz NGQQECVXUQSXQB-QZTJIDSGSA-N 0 3 338.407 2.868 20 10 EFCDHN O=C1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccc(O)cc2[O-])N1c1ccccc1 ZINC001204274319 1313113704 /nfs/dbraw/zinc/11/37/04/1313113704.db2.gz NGQQECVXUQSXQB-QZTJIDSGSA-N 0 3 338.407 2.868 20 10 EFCDHN CC(C)(C)OC(=O)N1C[C@@H]2CC[N@H+](Cc3ccc(O)cc3[O-])[C@@H]2C1 ZINC001204277007 1313114100 /nfs/dbraw/zinc/11/41/00/1313114100.db2.gz VQDDWTLSSDCSPF-SWLSCSKDSA-N 0 3 334.416 2.539 20 10 EFCDHN CC(C)(C)OC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccc(O)cc3[O-])[C@@H]2C1 ZINC001204277007 1313114104 /nfs/dbraw/zinc/11/41/04/1313114104.db2.gz VQDDWTLSSDCSPF-SWLSCSKDSA-N 0 3 334.416 2.539 20 10 EFCDHN CC(C)(C)OC(=O)N1C[C@H]2C[N@H+](Cc3ccc(O)cc3[O-])CC[C@H]21 ZINC001204275764 1313114363 /nfs/dbraw/zinc/11/43/63/1313114363.db2.gz AHRQTBCOKPARBV-UKRRQHHQSA-N 0 3 334.416 2.539 20 10 EFCDHN CC(C)(C)OC(=O)N1C[C@H]2C[N@@H+](Cc3ccc(O)cc3[O-])CC[C@H]21 ZINC001204275764 1313114364 /nfs/dbraw/zinc/11/43/64/1313114364.db2.gz AHRQTBCOKPARBV-UKRRQHHQSA-N 0 3 334.416 2.539 20 10 EFCDHN CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(O)cc3[O-])CC[C@@H]21 ZINC001204276581 1313114369 /nfs/dbraw/zinc/11/43/69/1313114369.db2.gz NRLUFMQSCCJUGB-BBRMVZONSA-N 0 3 348.443 2.929 20 10 EFCDHN CC(C)(C)OC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(O)cc3[O-])CC[C@@H]21 ZINC001204276581 1313114370 /nfs/dbraw/zinc/11/43/70/1313114370.db2.gz NRLUFMQSCCJUGB-BBRMVZONSA-N 0 3 348.443 2.929 20 10 EFCDHN CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](CN2Cc2ccc(O)cc2O)C1 ZINC001204276082 1313114457 /nfs/dbraw/zinc/11/44/57/1313114457.db2.gz GAOGKCSYYXTRFA-HIFRSBDPSA-N 0 3 334.416 2.539 20 10 EFCDHN C[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)CN1Cc1ccc(O)cc1O ZINC001204279252 1313114913 /nfs/dbraw/zinc/11/49/13/1313114913.db2.gz UARJIFAEMSRONZ-TZMCWYRMSA-N 0 3 336.432 2.975 20 10 EFCDHN C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CN1Cc1ccc(O)cc1O ZINC001204279249 1313115159 /nfs/dbraw/zinc/11/51/59/1313115159.db2.gz UARJIFAEMSRONZ-GXTWGEPZSA-N 0 3 336.432 2.975 20 10 EFCDHN O=C1c2ccccc2CN1[C@@H]1CCCN(Cc2ccc(O)cc2O)C1 ZINC001204277853 1313115276 /nfs/dbraw/zinc/11/52/76/1313115276.db2.gz MNBSGOOEIYOADF-MRXNPFEDSA-N 0 3 338.407 2.718 20 10 EFCDHN CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(O)cc3[O-])C[C@H]2C1 ZINC001204278559 1313115466 /nfs/dbraw/zinc/11/54/66/1313115466.db2.gz FRVBRWPIMGPCOM-ZFWWWQNUSA-N 0 3 348.443 2.787 20 10 EFCDHN CC(C)(C)OC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(O)cc3[O-])C[C@H]2C1 ZINC001204278559 1313115469 /nfs/dbraw/zinc/11/54/69/1313115469.db2.gz FRVBRWPIMGPCOM-ZFWWWQNUSA-N 0 3 348.443 2.787 20 10 EFCDHN O=C(NC1CC[NH+](Cc2ccc(O)cc2[O-])CC1)c1ccccc1F ZINC001204278070 1313115588 /nfs/dbraw/zinc/11/55/88/1313115588.db2.gz RTASABSULFCLQD-UHFFFAOYSA-N 0 3 344.386 2.631 20 10 EFCDHN C[C@H]1CN(Cc2ccc(O)cc2O)CCCN1C(=O)OC(C)(C)C ZINC001204280703 1313116051 /nfs/dbraw/zinc/11/60/51/1313116051.db2.gz NDCCCBOYSBSBIB-ZDUSSCGKSA-N 0 3 336.432 2.929 20 10 EFCDHN CC[N@H+](Cc1ccc(O)cc1[O-])[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001204281869 1313116247 /nfs/dbraw/zinc/11/62/47/1313116247.db2.gz YJOWSHYWEHMKMU-AWEZNQCLSA-N 0 3 336.432 2.929 20 10 EFCDHN CC[N@@H+](Cc1ccc(O)cc1[O-])[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001204281869 1313116249 /nfs/dbraw/zinc/11/62/49/1313116249.db2.gz YJOWSHYWEHMKMU-AWEZNQCLSA-N 0 3 336.432 2.929 20 10 EFCDHN Oc1ccc(CN2CCN(c3ccc4ccccc4n3)CC2)c(O)c1 ZINC001204280717 1313116432 /nfs/dbraw/zinc/11/64/32/1313116432.db2.gz NSCWCRYCLFRQLD-UHFFFAOYSA-N 0 3 335.407 2.968 20 10 EFCDHN CN(C[C@@H]1CC[N@H+](Cc2ccc(O)cc2[O-])C1)C(=O)OC(C)(C)C ZINC001204280027 1313116559 /nfs/dbraw/zinc/11/65/59/1313116559.db2.gz JQSMJIJCUFQODS-ZDUSSCGKSA-N 0 3 336.432 2.787 20 10 EFCDHN CN(C[C@@H]1CC[N@@H+](Cc2ccc(O)cc2[O-])C1)C(=O)OC(C)(C)C ZINC001204280027 1313116562 /nfs/dbraw/zinc/11/65/62/1313116562.db2.gz JQSMJIJCUFQODS-ZDUSSCGKSA-N 0 3 336.432 2.787 20 10 EFCDHN CCOC(=O)NC1CCN(Cc2ccc(N3CCCC3)cc2)CC1 ZINC001204328994 1313123186 /nfs/dbraw/zinc/12/31/86/1313123186.db2.gz ALJJNXFKBJOTSN-UHFFFAOYSA-N 0 3 331.460 2.997 20 10 EFCDHN CC(=O)[C@@H](C)N1C[C@]2(CC1=O)CCCCN2Cc1cccc(C)c1O ZINC001273770465 1295198482 /nfs/dbraw/zinc/19/84/82/1295198482.db2.gz RSUSBBJXUZJHTR-FOIQADDNSA-N 0 3 344.455 2.635 20 10 EFCDHN Cc1cc(Br)cc(CN2CCN(C)[C@@H](C)[C@@H]2C)c1O ZINC000775986614 1295563290 /nfs/dbraw/zinc/56/32/90/1295563290.db2.gz RGCABUBLSWIAFF-RYUDHWBXSA-N 0 3 327.266 2.988 20 10 EFCDHN CCN1CCN(c2ccc(O[C@H]3CCC[C@@H](C(=O)OC)C3)cc2)CC1 ZINC001234660376 1313179223 /nfs/dbraw/zinc/17/92/23/1313179223.db2.gz HFVZMJVVSDEQML-APWZRJJASA-N 0 3 346.471 2.939 20 10 EFCDHN CCN1CCN(c2ccc(O[C@H]3CC[C@@H](C(=O)OC)CC3)cc2)CC1 ZINC001234660050 1313179316 /nfs/dbraw/zinc/17/93/16/1313179316.db2.gz CKUSKSNKVWMGRZ-MAEOIBBWSA-N 0 3 346.471 2.939 20 10 EFCDHN CCN1CCN(c2ccc(O[C@H]3CC[C@@H](C(=O)OC)C3)cc2)CC1 ZINC001234657903 1313179473 /nfs/dbraw/zinc/17/94/73/1313179473.db2.gz LULCYIUKYXSYRE-QAPCUYQASA-N 0 3 332.444 2.549 20 10 EFCDHN CCN1CCN(c2ccc(OC[C@@H](C)OC[C@H](C)OC)cc2)CC1 ZINC001234661922 1313179981 /nfs/dbraw/zinc/17/99/81/1313179981.db2.gz XKKILFXHJIBXLJ-DLBZAZTESA-N 0 3 336.476 2.647 20 10 EFCDHN C[C@H](NC[C@H](O)c1ccco1)c1ccc(N2CCOCC2)c(F)c1 ZINC000305075528 1295875872 /nfs/dbraw/zinc/87/58/72/1295875872.db2.gz NPEUEAWSAXLFOZ-GUYCJALGSA-N 0 3 334.391 2.640 20 10 EFCDHN C[N@@H+](Cc1ccccc1[O-])C[C@H](O)COc1cccc2[nH]ccc21 ZINC000305093070 1295902015 /nfs/dbraw/zinc/90/20/15/1295902015.db2.gz QRNGXGRBVFPOQX-HNNXBMFYSA-N 0 3 326.396 2.745 20 10 EFCDHN C[N@H+](Cc1ccccc1[O-])C[C@H](O)COc1cccc2[nH]ccc21 ZINC000305093070 1295902023 /nfs/dbraw/zinc/90/20/23/1295902023.db2.gz QRNGXGRBVFPOQX-HNNXBMFYSA-N 0 3 326.396 2.745 20 10 EFCDHN COc1ccc(N2CCCC[C@]23CC(=O)N(CCN(C)C)C3)c(C)c1 ZINC001274873745 1296197621 /nfs/dbraw/zinc/19/76/21/1296197621.db2.gz ASBBAJIQJXMWQO-HXUWFJFHSA-N 0 3 345.487 2.527 20 10 EFCDHN O=C(Nc1cccnc1)N1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1O ZINC001275267410 1296247087 /nfs/dbraw/zinc/24/70/87/1296247087.db2.gz NLYZVRGXUOQTEQ-CALCHBBNSA-N 0 3 338.411 2.668 20 10 EFCDHN Cc1cc(CN2CCC[C@]23CC[NH2+]C3)c([O-])cc1Br ZINC001235116865 1313245125 /nfs/dbraw/zinc/24/51/25/1313245125.db2.gz ZLYSSAODQPJPAJ-OAHLLOKOSA-N 0 3 325.250 2.791 20 10 EFCDHN CC(C)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(F)ccc1[O-] ZINC001275912862 1296447462 /nfs/dbraw/zinc/44/74/62/1296447462.db2.gz GEXODJDWNXRQIH-MQVJKMGUSA-N 0 3 335.423 2.734 20 10 EFCDHN CC(C)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(F)ccc1[O-] ZINC001275912862 1296447468 /nfs/dbraw/zinc/44/74/68/1296447468.db2.gz GEXODJDWNXRQIH-MQVJKMGUSA-N 0 3 335.423 2.734 20 10 EFCDHN Cc1ccc([C@@H](C)[NH2+]CCc2ccccc2S(C)(=O)=O)c([O-])c1 ZINC000926908478 1296974584 /nfs/dbraw/zinc/97/45/84/1296974584.db2.gz PXSQUQVGNYMQGJ-CQSZACIVSA-N 0 3 333.453 2.997 20 10 EFCDHN COc1cc(O)c(CNC2(c3ccc4c(c3)OCO4)CC2)cc1OC ZINC000776251437 1297261760 /nfs/dbraw/zinc/26/17/60/1297261760.db2.gz XRSJSCNNUWJIOC-UHFFFAOYSA-N 0 3 343.379 2.917 20 10 EFCDHN CC1=NC2(CC[NH+](Cc3ccc(C(C)(C)C)cc3[O-])CC2)C(=O)N1C ZINC001235678356 1313373420 /nfs/dbraw/zinc/37/34/20/1313373420.db2.gz BELRZOPJXZAFOG-UHFFFAOYSA-N 0 3 343.471 2.915 20 10 EFCDHN COC(=O)[C@@H]1COCCC12CN(Cc1ccc(C(C)(C)C)cc1O)C2 ZINC001235678739 1313373643 /nfs/dbraw/zinc/37/36/43/1313373643.db2.gz MFSWUIGUFWHHRB-INIZCTEOSA-N 0 3 347.455 2.701 20 10 EFCDHN COCCCN(Cc1cc(Cl)c(OC)cc1[O-])[C@@H]1CCC[NH2+]C1 ZINC001235807784 1313401271 /nfs/dbraw/zinc/40/12/71/1313401271.db2.gz WOTUUZWXSSDLHJ-CQSZACIVSA-N 0 3 342.867 2.645 20 10 EFCDHN COc1cc(N(C)C)ccc1CN1CCN[C@H](c2ccccc2)C1 ZINC001235855354 1313410509 /nfs/dbraw/zinc/41/05/09/1313410509.db2.gz NODNRPPBEGNFNB-IBGZPJMESA-N 0 3 325.456 2.908 20 10 EFCDHN COc1cccc(N2CCN(Cc3cccc(OC)c3O)CC2)c1 ZINC000155979747 1297712433 /nfs/dbraw/zinc/71/24/33/1297712433.db2.gz UGXQDBWLFUDCLW-UHFFFAOYSA-N 0 3 328.412 2.732 20 10 EFCDHN CCN(Cc1cc(Br)c(OC)cc1[O-])[C@@H]1CCC[NH2+]C1 ZINC001236010461 1313431451 /nfs/dbraw/zinc/43/14/51/1313431451.db2.gz SKEXGEQIRURQGM-GFCCVEGCSA-N 0 3 343.265 2.737 20 10 EFCDHN CN(Cc1cc(Br)c(F)cc1[O-])[C@H]1CCCC[C@H]1[NH3+] ZINC001236220263 1313457243 /nfs/dbraw/zinc/45/72/43/1313457243.db2.gz YPTZNLDTHNPZGI-OLZOCXBDSA-N 0 3 331.229 2.996 20 10 EFCDHN C[N@H+](Cc1cc(Br)c(F)cc1[O-])[C@H]1CCCC[C@H]1N ZINC001236220263 1313457247 /nfs/dbraw/zinc/45/72/47/1313457247.db2.gz YPTZNLDTHNPZGI-OLZOCXBDSA-N 0 3 331.229 2.996 20 10 EFCDHN C[N@@H+](Cc1cc(Br)c(F)cc1[O-])[C@H]1CCCC[C@H]1N ZINC001236220263 1313457249 /nfs/dbraw/zinc/45/72/49/1313457249.db2.gz YPTZNLDTHNPZGI-OLZOCXBDSA-N 0 3 331.229 2.996 20 10 EFCDHN CN(Cc1cc(Br)c(F)cc1[O-])[C@H]1CCCC[C@@H]1[NH3+] ZINC001236220272 1313457253 /nfs/dbraw/zinc/45/72/53/1313457253.db2.gz YPTZNLDTHNPZGI-STQMWFEESA-N 0 3 331.229 2.996 20 10 EFCDHN C[N@H+](Cc1cc(Br)c(F)cc1[O-])[C@H]1CCCC[C@@H]1N ZINC001236220272 1313457256 /nfs/dbraw/zinc/45/72/56/1313457256.db2.gz YPTZNLDTHNPZGI-STQMWFEESA-N 0 3 331.229 2.996 20 10 EFCDHN C[N@@H+](Cc1cc(Br)c(F)cc1[O-])[C@H]1CCCC[C@@H]1N ZINC001236220272 1313457258 /nfs/dbraw/zinc/45/72/58/1313457258.db2.gz YPTZNLDTHNPZGI-STQMWFEESA-N 0 3 331.229 2.996 20 10 EFCDHN [O-]c1cccc2c1C[N@H+](Cc1ccc(CN3CCOCC3)cc1)CC2 ZINC001206721999 1313497644 /nfs/dbraw/zinc/49/76/44/1313497644.db2.gz IXHNJCXMHKREJX-UHFFFAOYSA-N 0 3 338.451 2.783 20 10 EFCDHN [O-]c1cccc2c1C[N@@H+](Cc1ccc(CN3CCOCC3)cc1)CC2 ZINC001206721999 1313497646 /nfs/dbraw/zinc/49/76/46/1313497646.db2.gz IXHNJCXMHKREJX-UHFFFAOYSA-N 0 3 338.451 2.783 20 10 EFCDHN COc1cc(C[N@H+](C)C2CCOCC2)c([O-])cc1Br ZINC001236744500 1313520464 /nfs/dbraw/zinc/52/04/64/1313520464.db2.gz CMUZOCNCWOAZEA-UHFFFAOYSA-N 0 3 330.222 2.774 20 10 EFCDHN COc1cc(C[N@@H+](C)C2CCOCC2)c([O-])cc1Br ZINC001236744500 1313520468 /nfs/dbraw/zinc/52/04/68/1313520468.db2.gz CMUZOCNCWOAZEA-UHFFFAOYSA-N 0 3 330.222 2.774 20 10 EFCDHN CC[N@H+](Cc1cc(OC)c(Br)cc1[O-])CC(C)(C)O ZINC001236757310 1313523369 /nfs/dbraw/zinc/52/33/69/1313523369.db2.gz RWHFGIYCUBZBQV-UHFFFAOYSA-N 0 3 332.238 2.756 20 10 EFCDHN CC[N@@H+](Cc1cc(OC)c(Br)cc1[O-])CC(C)(C)O ZINC001236757310 1313523373 /nfs/dbraw/zinc/52/33/73/1313523373.db2.gz RWHFGIYCUBZBQV-UHFFFAOYSA-N 0 3 332.238 2.756 20 10 EFCDHN C[C@]1(O)COCCN(Cc2cc(OCc3ccccc3)ccc2O)C1 ZINC001236779134 1313527800 /nfs/dbraw/zinc/52/78/00/1313527800.db2.gz QSCAZDYJWJAHON-HXUWFJFHSA-N 0 3 343.423 2.554 20 10 EFCDHN CCc1ccc(C[N@@H+]2C[C@@H]3C[C@H](C(=O)NC4CC4)C[C@@H]3C2)c([O-])c1 ZINC001236785764 1313528188 /nfs/dbraw/zinc/52/81/88/1313528188.db2.gz BNOOLSKLCDHOMV-OSYLJGHBSA-N 0 3 328.456 2.691 20 10 EFCDHN CCc1ccc(C[N@H+]2C[C@@H]3C[C@H](C(=O)NC4CC4)C[C@@H]3C2)c([O-])c1 ZINC001236785764 1313528191 /nfs/dbraw/zinc/52/81/91/1313528191.db2.gz BNOOLSKLCDHOMV-OSYLJGHBSA-N 0 3 328.456 2.691 20 10 EFCDHN CCc1ccc(C[NH+]2C[C@H]3CN(Cc4cccnc4)C[C@@H]3C2)c([O-])c1 ZINC001236786442 1313528409 /nfs/dbraw/zinc/52/84/09/1313528409.db2.gz PAHNUTWXCKZBMJ-WOJBJXKFSA-N 0 3 337.467 2.913 20 10 EFCDHN CCc1ccc(C[NH+]2C[C@@H]3CN(Cc4ccccn4)C[C@H]3C2)c([O-])c1 ZINC001236786466 1313528725 /nfs/dbraw/zinc/52/87/25/1313528725.db2.gz DPHWRAAXBVLHGY-RTBURBONSA-N 0 3 337.467 2.913 20 10 EFCDHN CCc1ccc(C[N@@H+]2C[C@H]3CCN(c4ncccn4)C[C@H]3C2)c([O-])c1 ZINC001236785631 1313528876 /nfs/dbraw/zinc/52/88/76/1313528876.db2.gz ABDQCWBFCKSHTL-SJLPKXTDSA-N 0 3 338.455 2.703 20 10 EFCDHN CCc1ccc(C[N@H+]2C[C@H]3CCN(c4ncccn4)C[C@H]3C2)c([O-])c1 ZINC001236785631 1313528880 /nfs/dbraw/zinc/52/88/80/1313528880.db2.gz ABDQCWBFCKSHTL-SJLPKXTDSA-N 0 3 338.455 2.703 20 10 EFCDHN CCOC[C@H]1Cn2nccc2CN(Cc2ccc(CC)cc2O)C1 ZINC001236787774 1313529161 /nfs/dbraw/zinc/52/91/61/1313529161.db2.gz OEJPKYZEVTWEIU-MRXNPFEDSA-N 0 3 329.444 2.820 20 10 EFCDHN COc1cc(C)c(CN2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)c(O)c1 ZINC001236808706 1313533670 /nfs/dbraw/zinc/53/36/70/1313533670.db2.gz RDHHFWGDKKQICQ-DJJJIMSYSA-N 0 3 348.443 2.808 20 10 EFCDHN CCOC(=O)N1CCC([N@H+](C)Cc2c(C)cc(OC)cc2[O-])CC1 ZINC001236811656 1313535097 /nfs/dbraw/zinc/53/50/97/1313535097.db2.gz VBKGLIIWGYGLCU-UHFFFAOYSA-N 0 3 336.432 2.762 20 10 EFCDHN CCOC(=O)N1CCC([N@@H+](C)Cc2c(C)cc(OC)cc2[O-])CC1 ZINC001236811656 1313535100 /nfs/dbraw/zinc/53/51/00/1313535100.db2.gz VBKGLIIWGYGLCU-UHFFFAOYSA-N 0 3 336.432 2.762 20 10 EFCDHN COc1cc(C)c(C[NH+]2CCC(C(=O)N3CCCCC3)CC2)c([O-])c1 ZINC001236814176 1313535984 /nfs/dbraw/zinc/53/59/84/1313535984.db2.gz QBGDWMQMVPKAOG-UHFFFAOYSA-N 0 3 346.471 2.934 20 10 EFCDHN CCNC(=O)CO[C@@H]1CCC[N@H+](Cc2cc3ccccc3cc2[O-])C1 ZINC001236833916 1313538414 /nfs/dbraw/zinc/53/84/14/1313538414.db2.gz RDNZWCUDNJXFAR-GOSISDBHSA-N 0 3 342.439 2.663 20 10 EFCDHN CCNC(=O)CO[C@@H]1CCC[N@@H+](Cc2cc3ccccc3cc2[O-])C1 ZINC001236833916 1313538418 /nfs/dbraw/zinc/53/84/18/1313538418.db2.gz RDNZWCUDNJXFAR-GOSISDBHSA-N 0 3 342.439 2.663 20 10 EFCDHN OCC[C@@H]1CCCN(Cc2ccc(N3CCOCC3)cc2Cl)C1 ZINC001236927209 1313554605 /nfs/dbraw/zinc/55/46/05/1313554605.db2.gz NEYWCINVJKDRQF-HNNXBMFYSA-N 0 3 338.879 2.771 20 10 EFCDHN O=C1CCC[C@@H]2CN(Cc3ccc(N4CCOCC4)cc3Cl)C[C@H]12 ZINC001236926846 1313554827 /nfs/dbraw/zinc/55/48/27/1313554827.db2.gz NVNFPFCSWYRJGZ-PBHICJAKSA-N 0 3 348.874 2.978 20 10 EFCDHN CC(C)N1CCN(Cc2ccc(N3CCOCC3)cc2Cl)CC1 ZINC001236929605 1313555552 /nfs/dbraw/zinc/55/55/52/1313555552.db2.gz QVQOPWXQSXSMQJ-UHFFFAOYSA-N 0 3 337.895 2.703 20 10 EFCDHN CN1CCN(c2ccc(CN3CC(C)(C)OC(C)(C)C3)c(F)c2)CC1 ZINC001236942401 1313558226 /nfs/dbraw/zinc/55/82/26/1313558226.db2.gz JIJMRKDECXDFPK-UHFFFAOYSA-N 0 3 349.494 2.967 20 10 EFCDHN COCCCN(Cc1ccc(C(F)(F)F)cc1[O-])[C@@H]1CC[NH2+]C1 ZINC001236949315 1313560070 /nfs/dbraw/zinc/56/00/70/1313560070.db2.gz YKVKBWQVWYULMB-CQSZACIVSA-N 0 3 332.366 2.611 20 10 EFCDHN FC(F)(F)[C@H]1CNCCN1Cc1cc2c3c(c1)CCCN3CCC2 ZINC001236976867 1313564708 /nfs/dbraw/zinc/56/47/08/1313564708.db2.gz QOWJKIDYRFNMQZ-MRXNPFEDSA-N 0 3 339.405 2.722 20 10 EFCDHN CCOc1ccc(C[N@@H+]2CCC[C@@H](Oc3ncncc3C)C2)c([O-])c1 ZINC001237048565 1313576111 /nfs/dbraw/zinc/57/61/11/1313576111.db2.gz UABFUOKTERLVBV-QGZVFWFLSA-N 0 3 343.427 2.933 20 10 EFCDHN CCOc1ccc(C[N@H+]2CCC[C@@H](Oc3ncncc3C)C2)c([O-])c1 ZINC001237048565 1313576115 /nfs/dbraw/zinc/57/61/15/1313576115.db2.gz UABFUOKTERLVBV-QGZVFWFLSA-N 0 3 343.427 2.933 20 10 EFCDHN CCOc1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@@]3(COC)C2)c([O-])c1 ZINC001237041761 1313574655 /nfs/dbraw/zinc/57/46/55/1313574655.db2.gz UAYAZUWQZDLJQE-OALUTQOASA-N 0 3 335.444 2.808 20 10 EFCDHN CCOc1ccc(C[N@H+]2CC[C@@H]3OCCC[C@@]3(COC)C2)c([O-])c1 ZINC001237041761 1313574658 /nfs/dbraw/zinc/57/46/58/1313574658.db2.gz UAYAZUWQZDLJQE-OALUTQOASA-N 0 3 335.444 2.808 20 10 EFCDHN CCOc1ccc(C[NH+]2CCC(Oc3nccc(C)n3)CC2)c([O-])c1 ZINC001237046295 1313575027 /nfs/dbraw/zinc/57/50/27/1313575027.db2.gz AFCPKFHYNRJIFK-UHFFFAOYSA-N 0 3 343.427 2.933 20 10 EFCDHN CCOc1ccc(CN2CCC(Oc3nccc(C)n3)CC2)c(O)c1 ZINC001237046295 1313575031 /nfs/dbraw/zinc/57/50/31/1313575031.db2.gz AFCPKFHYNRJIFK-UHFFFAOYSA-N 0 3 343.427 2.933 20 10 EFCDHN CCOc1ccc(CN2CCC[C@@H](NC(=O)C3CCC3)C2)c(O)c1 ZINC001237046253 1313575238 /nfs/dbraw/zinc/57/52/38/1313575238.db2.gz ABNGRJDODWFLSQ-MRXNPFEDSA-N 0 3 332.444 2.672 20 10 EFCDHN CCOc1ccc(C[N@@H+]2CC[C@H](Oc3cc(OC)ccn3)C2)c([O-])c1 ZINC001237048674 1313576442 /nfs/dbraw/zinc/57/64/42/1313576442.db2.gz VLFOTHKSPPWCOG-KRWDZBQOSA-N 0 3 344.411 2.848 20 10 EFCDHN CCOc1ccc(C[N@H+]2CC[C@H](Oc3cc(OC)ccn3)C2)c([O-])c1 ZINC001237048674 1313576443 /nfs/dbraw/zinc/57/64/43/1313576443.db2.gz VLFOTHKSPPWCOG-KRWDZBQOSA-N 0 3 344.411 2.848 20 10 EFCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC001237053973 1313577774 /nfs/dbraw/zinc/57/77/74/1313577774.db2.gz RYNHAWVGJLLCOW-OAHLLOKOSA-N 0 3 331.334 2.946 20 10 EFCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@H+]1CC[C@@]2(CCOC2)C1 ZINC001237053973 1313577778 /nfs/dbraw/zinc/57/77/78/1313577778.db2.gz RYNHAWVGJLLCOW-OAHLLOKOSA-N 0 3 331.334 2.946 20 10 EFCDHN CC[N@H+](CCC(=O)OC)Cc1ccc(OCC(F)(F)F)cc1[O-] ZINC001237058730 1313578698 /nfs/dbraw/zinc/57/86/98/1313578698.db2.gz DLTJYBBCGWKVHC-UHFFFAOYSA-N 0 3 335.322 2.718 20 10 EFCDHN CC[N@@H+](CCC(=O)OC)Cc1ccc(OCC(F)(F)F)cc1[O-] ZINC001237058730 1313578702 /nfs/dbraw/zinc/57/87/02/1313578702.db2.gz DLTJYBBCGWKVHC-UHFFFAOYSA-N 0 3 335.322 2.718 20 10 EFCDHN CC(C)C(=O)NC1CC[NH+](Cc2c([O-])ccc(F)c2Cl)CC1 ZINC001237125805 1313591057 /nfs/dbraw/zinc/59/10/57/1313591057.db2.gz FKZHJDBLAQVVHO-UHFFFAOYSA-N 0 3 328.815 2.921 20 10 EFCDHN COC(=O)[C@]1(C)CCN(Cc2c(O)cccc2OC(F)(F)F)C1 ZINC001237125859 1313591375 /nfs/dbraw/zinc/59/13/75/1313591375.db2.gz QNKNSUTYYQJFAR-CQSZACIVSA-N 0 3 333.306 2.676 20 10 EFCDHN CN1CC2(CC1=O)CC[NH+](Cc1cc(C(F)(F)F)ccc1[O-])CC2 ZINC001237143040 1313592737 /nfs/dbraw/zinc/59/27/37/1313592737.db2.gz JMFVTOHOUIRXIF-UHFFFAOYSA-N 0 3 342.361 2.855 20 10 EFCDHN O=S1(=O)CCN(c2ccc(CN3CC[C@H]4CCC[C@H]4C3)cc2)CC1 ZINC001237204600 1313605007 /nfs/dbraw/zinc/60/50/07/1313605007.db2.gz COWJXLYMKNOADQ-MSOLQXFVSA-N 0 3 348.512 2.543 20 10 EFCDHN C[C@@H]1CCCN(Cc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1 ZINC001237204452 1313605057 /nfs/dbraw/zinc/60/50/57/1313605057.db2.gz AEPQVLXBSFAMDJ-MRXNPFEDSA-N 0 3 336.501 2.543 20 10 EFCDHN O=C(CC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1)NC1CCCC1 ZINC000109761969 1299337306 /nfs/dbraw/zinc/33/73/06/1299337306.db2.gz PDPFNBAJGSCDHY-GOSISDBHSA-N 0 3 346.471 2.822 20 10 EFCDHN O=C(CC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1)NC1CCCC1 ZINC000109761969 1299337313 /nfs/dbraw/zinc/33/73/13/1299337313.db2.gz PDPFNBAJGSCDHY-GOSISDBHSA-N 0 3 346.471 2.822 20 10 EFCDHN O=C(CC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1)NC1CCCC1 ZINC000109761966 1299337932 /nfs/dbraw/zinc/33/79/32/1299337932.db2.gz PDPFNBAJGSCDHY-SFHVURJKSA-N 0 3 346.471 2.822 20 10 EFCDHN O=C(CC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1)NC1CCCC1 ZINC000109761966 1299337944 /nfs/dbraw/zinc/33/79/44/1299337944.db2.gz PDPFNBAJGSCDHY-SFHVURJKSA-N 0 3 346.471 2.822 20 10 EFCDHN CCC[N@H+](CCn1cnc(Br)n1)Cc1ccccc1[O-] ZINC000851792975 1299398271 /nfs/dbraw/zinc/39/82/71/1299398271.db2.gz VPLGCORWCVUAJG-UHFFFAOYSA-N 0 3 339.237 2.658 20 10 EFCDHN CCC[N@@H+](CCn1cnc(Br)n1)Cc1ccccc1[O-] ZINC000851792975 1299398283 /nfs/dbraw/zinc/39/82/83/1299398283.db2.gz VPLGCORWCVUAJG-UHFFFAOYSA-N 0 3 339.237 2.658 20 10 EFCDHN CCCC[N@H+](CCc1nnn(C(C)(C)C)n1)Cc1ccccc1[O-] ZINC000852018940 1299508797 /nfs/dbraw/zinc/50/87/97/1299508797.db2.gz ULTKOGWEHIWKHI-UHFFFAOYSA-N 0 3 331.464 2.979 20 10 EFCDHN CCCC[N@@H+](CCc1nnn(C(C)(C)C)n1)Cc1ccccc1[O-] ZINC000852018940 1299508804 /nfs/dbraw/zinc/50/88/04/1299508804.db2.gz ULTKOGWEHIWKHI-UHFFFAOYSA-N 0 3 331.464 2.979 20 10 EFCDHN [O-]c1ccc(Br)cc1CN1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237383895 1313634092 /nfs/dbraw/zinc/63/40/92/1313634092.db2.gz SFICNZOMYUGDNK-SMDDNHRTSA-N 0 3 325.250 2.729 20 10 EFCDHN CCN1C(=O)[C@]2(CC[C@@H]3C[N@H+](Cc4c(C)cccc4[O-])C[C@@H]32)N=C1C ZINC001237487591 1313654983 /nfs/dbraw/zinc/65/49/83/1313654983.db2.gz BWLFDHGZTWRBTO-OXFYSEKESA-N 0 3 341.455 2.562 20 10 EFCDHN CCN1C(=O)[C@]2(CC[C@@H]3C[N@@H+](Cc4c(C)cccc4[O-])C[C@@H]32)N=C1C ZINC001237487591 1313654985 /nfs/dbraw/zinc/65/49/85/1313654985.db2.gz BWLFDHGZTWRBTO-OXFYSEKESA-N 0 3 341.455 2.562 20 10 EFCDHN Cc1cccc([O-])c1C[N@@H+](C)[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001237495307 1313655931 /nfs/dbraw/zinc/65/59/31/1313655931.db2.gz PCCTYCULZDQIIP-QLPKVWCKSA-N 0 3 332.444 2.998 20 10 EFCDHN Cc1cccc([O-])c1C[N@H+](C)[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001237495307 1313655934 /nfs/dbraw/zinc/65/59/34/1313655934.db2.gz PCCTYCULZDQIIP-QLPKVWCKSA-N 0 3 332.444 2.998 20 10 EFCDHN COC(=O)NC1CC[NH+](Cc2c([O-])ccc3ccc(OC)cc32)CC1 ZINC000853626069 1300199257 /nfs/dbraw/zinc/19/92/57/1300199257.db2.gz NGCDWRDCBCKOMZ-UHFFFAOYSA-N 0 3 344.411 2.874 20 10 EFCDHN C[C@]1(CO)C[N@H+](Cc2cc(-c3ccc(F)cc3)ccc2[O-])CC[C@@H]1O ZINC001237640694 1313682394 /nfs/dbraw/zinc/68/23/94/1313682394.db2.gz DYUIQRWWSSPFEJ-VQTJNVASSA-N 0 3 345.414 2.764 20 10 EFCDHN C[C@]1(CO)C[N@@H+](Cc2cc(-c3ccc(F)cc3)ccc2[O-])CC[C@@H]1O ZINC001237640694 1313682397 /nfs/dbraw/zinc/68/23/97/1313682397.db2.gz DYUIQRWWSSPFEJ-VQTJNVASSA-N 0 3 345.414 2.764 20 10 EFCDHN NC(=O)[C@@H]1CCC[N@H+](Cc2cc(-c3ccc(F)cc3)ccc2[O-])C1 ZINC001237640406 1313682437 /nfs/dbraw/zinc/68/24/37/1313682437.db2.gz AWCOKPNMSFNNAP-OAHLLOKOSA-N 0 3 328.387 2.896 20 10 EFCDHN NC(=O)[C@@H]1CCC[N@@H+](Cc2cc(-c3ccc(F)cc3)ccc2[O-])C1 ZINC001237640406 1313682441 /nfs/dbraw/zinc/68/24/41/1313682441.db2.gz AWCOKPNMSFNNAP-OAHLLOKOSA-N 0 3 328.387 2.896 20 10 EFCDHN C[C@@]1(CO)CC[N@H+](Cc2cc(-c3ccc(F)cc3)ccc2[O-])C[C@H]1O ZINC001237640458 1313682672 /nfs/dbraw/zinc/68/26/72/1313682672.db2.gz BTOINQDBYGNQCU-UXHICEINSA-N 0 3 345.414 2.764 20 10 EFCDHN C[C@@]1(CO)CC[N@@H+](Cc2cc(-c3ccc(F)cc3)ccc2[O-])C[C@H]1O ZINC001237640458 1313682677 /nfs/dbraw/zinc/68/26/77/1313682677.db2.gz BTOINQDBYGNQCU-UXHICEINSA-N 0 3 345.414 2.764 20 10 EFCDHN C[N@H+](CCN1CCOCC1)Cc1cc(-c2ccc(F)cc2)ccc1[O-] ZINC001237641173 1313682698 /nfs/dbraw/zinc/68/26/98/1313682698.db2.gz NTASIYXYFFNLNZ-UHFFFAOYSA-N 0 3 344.430 2.962 20 10 EFCDHN C[N@@H+](CCN1CCOCC1)Cc1cc(-c2ccc(F)cc2)ccc1[O-] ZINC001237641173 1313682702 /nfs/dbraw/zinc/68/27/02/1313682702.db2.gz NTASIYXYFFNLNZ-UHFFFAOYSA-N 0 3 344.430 2.962 20 10 EFCDHN COc1cccc(O)c1CN[C@@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000776700188 1300348515 /nfs/dbraw/zinc/34/85/15/1300348515.db2.gz JBDYLAGYMFDAIA-LLVKDONJSA-N 0 3 348.349 2.574 20 10 EFCDHN Cc1cc(O)c(CN2CCN(CC3CC3)CC2)cc1Br ZINC001237679854 1313690333 /nfs/dbraw/zinc/69/03/33/1313690333.db2.gz VNVVXZNBGUMHRQ-UHFFFAOYSA-N 0 3 339.277 2.991 20 10 EFCDHN Cc1cc(Cl)cc(C[NH+]2C[C@@H]3CN(c4ncccn4)C[C@H]3C2)c1[O-] ZINC001237687029 1313691369 /nfs/dbraw/zinc/69/13/69/1313691369.db2.gz VRJYOBMCXKNHKZ-HUUCEWRRSA-N 0 3 344.846 2.712 20 10 EFCDHN CCCCOC(=O)[C@H]1CCN(Cc2cc(OC)cc(OC)c2O)C1 ZINC001237686473 1313691401 /nfs/dbraw/zinc/69/14/01/1313691401.db2.gz ZWOWHIMUPGETIQ-ZDUSSCGKSA-N 0 3 337.416 2.575 20 10 EFCDHN COCC[N@H+](Cc1cc(Cl)cc(C)c1[O-])C1CCN(C)CC1 ZINC001237687554 1313692269 /nfs/dbraw/zinc/69/22/69/1313692269.db2.gz LVDAYFGRQALFSN-UHFFFAOYSA-N 0 3 326.868 2.897 20 10 EFCDHN COCC[N@@H+](Cc1cc(Cl)cc(C)c1[O-])C1CCN(C)CC1 ZINC001237687554 1313692273 /nfs/dbraw/zinc/69/22/73/1313692273.db2.gz LVDAYFGRQALFSN-UHFFFAOYSA-N 0 3 326.868 2.897 20 10 EFCDHN COc1cc(CN2CCC[C@](O)(C(F)(F)F)CC2)c(O)c(OC)c1 ZINC001237675080 1313689016 /nfs/dbraw/zinc/68/90/16/1313689016.db2.gz SCDDHJJFRXESKE-OAHLLOKOSA-N 0 3 349.349 2.689 20 10 EFCDHN Cc1cc(F)cc(C[N@@H+]2CC[C@@H]3[C@@H](CCN3C(=O)C(C)C)C2)c1[O-] ZINC001238063013 1313754077 /nfs/dbraw/zinc/75/40/77/1313754077.db2.gz ZDDIKSQDNPEIDV-WMLDXEAASA-N 0 3 334.435 2.919 20 10 EFCDHN Cc1cc(F)cc(C[N@H+]2CC[C@@H]3[C@@H](CCN3C(=O)C(C)C)C2)c1[O-] ZINC001238063013 1313754079 /nfs/dbraw/zinc/75/40/79/1313754079.db2.gz ZDDIKSQDNPEIDV-WMLDXEAASA-N 0 3 334.435 2.919 20 10 EFCDHN Cc1cnc(O[C@@H]2CCCN(Cc3cc(F)cc(C)c3O)C2)nc1 ZINC001238064824 1313754164 /nfs/dbraw/zinc/75/41/64/1313754164.db2.gz CMESIAADHCTMLO-MRXNPFEDSA-N 0 3 331.391 2.982 20 10 EFCDHN Cc1cc(F)cc(CN2CCC(NC(=O)N3CCCCC3)CC2)c1O ZINC001238069481 1313755137 /nfs/dbraw/zinc/75/51/37/1313755137.db2.gz ZITMYNCVNUCSCJ-UHFFFAOYSA-N 0 3 349.450 3.000 20 10 EFCDHN CC[N@H+](C)C[C@H]1CCN(Cc2c([O-])cccc2Br)C1 ZINC000862250292 1302322945 /nfs/dbraw/zinc/32/29/45/1302322945.db2.gz MOKYLZDGJHQZQB-GFCCVEGCSA-N 0 3 327.266 2.928 20 10 EFCDHN CC[N@@H+](C)C[C@H]1CCN(Cc2c([O-])cccc2Br)C1 ZINC000862250292 1302322955 /nfs/dbraw/zinc/32/29/55/1302322955.db2.gz MOKYLZDGJHQZQB-GFCCVEGCSA-N 0 3 327.266 2.928 20 10 EFCDHN COc1cccc2c1CN(Cc1ccc(N3CCN(C)CC3)cc1)C2 ZINC000862530082 1302405143 /nfs/dbraw/zinc/40/51/43/1302405143.db2.gz VEBBWSFUYPLHRY-UHFFFAOYSA-N 0 3 337.467 2.963 20 10 EFCDHN CN(C)C(=O)C1=CC2(CC1)CC[NH+](Cc1cc(F)ccc1[O-])CC2 ZINC001278255179 1313844513 /nfs/dbraw/zinc/84/45/13/1313844513.db2.gz NQXQTWKWWBAPCC-UHFFFAOYSA-N 0 3 332.419 2.922 20 10 EFCDHN CC(C)N1CCC[C@@H](N[C@H](C)c2ccc(N3CCOCC3)cc2)C1=O ZINC000748270932 1313844667 /nfs/dbraw/zinc/84/46/67/1313844667.db2.gz ZYIUZDFLMPBFNQ-VQIMIIECSA-N 0 3 345.487 2.573 20 10 EFCDHN COc1ccc2ccc([O-])c(C[N@@H+]3C[C@H](C)O[C@@]4(CCOC4)C3)c2c1 ZINC000794707375 1303016471 /nfs/dbraw/zinc/01/64/71/1303016471.db2.gz RNTVDFLFBVPERI-XOBRGWDASA-N 0 3 343.423 2.934 20 10 EFCDHN COc1ccc2ccc([O-])c(C[N@H+]3C[C@H](C)O[C@@]4(CCOC4)C3)c2c1 ZINC000794707375 1303016479 /nfs/dbraw/zinc/01/64/79/1303016479.db2.gz RNTVDFLFBVPERI-XOBRGWDASA-N 0 3 343.423 2.934 20 10 EFCDHN COc1cc(C[NH+](C)C)ccc1NC(=O)c1ccc(C)c(O)c1[O-] ZINC000868816064 1304490914 /nfs/dbraw/zinc/49/09/14/1304490914.db2.gz YJBCSVPVINZCMH-UHFFFAOYSA-N 0 3 330.384 2.729 20 10 EFCDHN CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+]Cc2ccccc2[O-])s1 ZINC000796527784 1305981309 /nfs/dbraw/zinc/98/13/09/1305981309.db2.gz ASTQJRJBSIFJGR-MNOVXSKESA-N 0 3 334.445 2.559 20 10 EFCDHN COC(=O)C[C@@H]1CCC[N@@H+]1Cc1cc(C)c(Br)cc1[O-] ZINC001250133679 1315177261 /nfs/dbraw/zinc/17/72/61/1315177261.db2.gz PDQMWBWHQNLESZ-LBPRGKRZSA-N 0 3 342.233 2.991 20 10 EFCDHN COC(=O)C[C@@H]1CCC[N@H+]1Cc1cc(C)c(Br)cc1[O-] ZINC001250133679 1315177265 /nfs/dbraw/zinc/17/72/65/1315177265.db2.gz PDQMWBWHQNLESZ-LBPRGKRZSA-N 0 3 342.233 2.991 20 10 EFCDHN CCCC[N@H+](Cc1ccccc1[O-])[C@H](C)C(=O)N1CCN(CC)CC1 ZINC000801597499 1310574921 /nfs/dbraw/zinc/57/49/21/1310574921.db2.gz IKGHAKAIJDZEBS-QGZVFWFLSA-N 0 3 347.503 2.547 20 10 EFCDHN CCCC[N@@H+](Cc1ccccc1[O-])[C@H](C)C(=O)N1CCN(CC)CC1 ZINC000801597499 1310574931 /nfs/dbraw/zinc/57/49/31/1310574931.db2.gz IKGHAKAIJDZEBS-QGZVFWFLSA-N 0 3 347.503 2.547 20 10 EFCDHN CCCCN(CC(=O)N1C[C@@H](C)O[C@@H](C)C1)Cc1ccccc1O ZINC000801597080 1310576251 /nfs/dbraw/zinc/57/62/51/1310576251.db2.gz AEJILUWVSKHQPF-IYBDPMFKSA-N 0 3 334.460 2.630 20 10 EFCDHN Cc1cc([O-])c(CN2CCC[C@]3(CC[NH2+]3)C2)cc1Br ZINC001222287532 1311110272 /nfs/dbraw/zinc/11/02/72/1311110272.db2.gz LPHUJOWIFADOSM-HNNXBMFYSA-N 0 3 325.250 2.791 20 10 EFCDHN CCN(C(=O)[C@H]1[C@H]2CC[C@@H]1C[N@H+](Cc1ccc(O)cc1[O-])C2)C(C)C ZINC001277190645 1311779412 /nfs/dbraw/zinc/77/94/12/1311779412.db2.gz NLEPEGYIEDHDTE-HGKCTWBKSA-N 0 3 346.471 2.813 20 10 EFCDHN CCN(C(=O)[C@H]1[C@H]2CC[C@@H]1C[N@@H+](Cc1ccc(O)cc1[O-])C2)C(C)C ZINC001277190645 1311779415 /nfs/dbraw/zinc/77/94/15/1311779415.db2.gz NLEPEGYIEDHDTE-HGKCTWBKSA-N 0 3 346.471 2.813 20 10 EFCDHN CCN(C(=O)[C@@H]1CC12CC[NH+](Cc1ccc(O)cc1[O-])CC2)C(C)C ZINC001277192008 1311781101 /nfs/dbraw/zinc/78/11/01/1311781101.db2.gz JFQHVZNBFHXMKZ-KRWDZBQOSA-N 0 3 346.471 2.957 20 10 EFCDHN CN1CCO[C@@H](COC2=CC(=O)C=CC2=N[N-]c2cccc[nH+]2)C1 ZINC001227493491 1311812385 /nfs/dbraw/zinc/81/23/85/1311812385.db2.gz ZRQNNIFPLSDETP-ATQAJOFPSA-N 0 3 328.372 2.912 20 10 EFCDHN O=C(NC1CCC(F)CC1)[C@@H]1CC12CN(Cc1ccccc1O)C2 ZINC001277441532 1312176148 /nfs/dbraw/zinc/17/61/48/1312176148.db2.gz NGAWPCHLSSSQPX-GPANFISMSA-N 0 3 332.419 2.611 20 10 EFCDHN CC(C)(C)NC(=O)[C@@H]1CCSC12CN(Cc1ccccc1O)C2 ZINC001277442630 1312179037 /nfs/dbraw/zinc/17/90/37/1312179037.db2.gz YBQFXNMVGYHDEC-AWEZNQCLSA-N 0 3 334.485 2.614 20 10 EFCDHN CC(C)(C)NC(=O)[C@@H]1CCSC12C[NH+](Cc1ccccc1[O-])C2 ZINC001277442630 1312179039 /nfs/dbraw/zinc/17/90/39/1312179039.db2.gz YBQFXNMVGYHDEC-AWEZNQCLSA-N 0 3 334.485 2.614 20 10 EFCDHN COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)[C@H]3C(=O)NC(C)(C)C)c([O-])c1 ZINC001277454086 1312228409 /nfs/dbraw/zinc/22/84/09/1312228409.db2.gz MWKQSSDCOJXCIE-JLVBRIDZSA-N 0 3 346.471 2.774 20 10 EFCDHN COc1ccc(C[N@H+]2C[C@@H]3CC[C@H](C2)[C@H]3C(=O)NC(C)(C)C)c([O-])c1 ZINC001277454086 1312228411 /nfs/dbraw/zinc/22/84/11/1312228411.db2.gz MWKQSSDCOJXCIE-JLVBRIDZSA-N 0 3 346.471 2.774 20 10 EFCDHN CCN(C(=O)C12CC([NH2+]Cc3ccc(OC)cc3[O-])(C1)C2)C(C)C ZINC001277456112 1312243169 /nfs/dbraw/zinc/24/31/69/1312243169.db2.gz BDMPAHNCEOHKHD-UHFFFAOYSA-N 0 3 332.444 2.670 20 10 EFCDHN O=C([C@@H]1CC12C[NH+](Cc1c([O-])cccc1F)C2)N1CCCC12CC2 ZINC001277488896 1312439016 /nfs/dbraw/zinc/43/90/16/1312439016.db2.gz LKOSNQNYGDDFOK-AWEZNQCLSA-N 0 3 330.403 2.508 20 10 EFCDHN O=C([C@@H]1CC12CN(Cc1c(O)cccc1F)C2)N1CCCC12CC2 ZINC001277488896 1312439017 /nfs/dbraw/zinc/43/90/17/1312439017.db2.gz LKOSNQNYGDDFOK-AWEZNQCLSA-N 0 3 330.403 2.508 20 10 EFCDHN C[C@H](CCNS(=O)(=O)c1ccccc1)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000903231554 1312482922 /nfs/dbraw/zinc/48/29/22/1312482922.db2.gz OCVBBFGJBCBRHM-CABCVRRESA-N 0 3 348.468 2.800 20 10 EFCDHN COc1ccc(Br)c(C[N@@H+]2CCC[C@H](CCO)C2)c1[O-] ZINC001231554460 1312523944 /nfs/dbraw/zinc/52/39/44/1312523944.db2.gz UAIWTMAAQRGCCM-LLVKDONJSA-N 0 3 344.249 2.758 20 10 EFCDHN COc1ccc(Br)c(C[N@H+]2CCC[C@H](CCO)C2)c1[O-] ZINC001231554460 1312523946 /nfs/dbraw/zinc/52/39/46/1312523946.db2.gz UAIWTMAAQRGCCM-LLVKDONJSA-N 0 3 344.249 2.758 20 10 EFCDHN COc1ccc(Br)c(CN2CCC[C@H](CCO)C2)c1O ZINC001231554460 1312523949 /nfs/dbraw/zinc/52/39/49/1312523949.db2.gz UAIWTMAAQRGCCM-LLVKDONJSA-N 0 3 344.249 2.758 20 10 EFCDHN CCCN1CCN(Cc2c(Br)ccc(OC)c2O)CC1 ZINC001231554473 1312524251 /nfs/dbraw/zinc/52/42/51/1312524251.db2.gz UTGSEPHEPPLSKS-UHFFFAOYSA-N 0 3 343.265 2.691 20 10 EFCDHN O=C1CC2(CC[NH+](Cc3c([O-])ccc4ccccc43)CC2)CC(=O)N1 ZINC001231590669 1312528920 /nfs/dbraw/zinc/52/89/20/1312528920.db2.gz KDHJSCUOENTKGE-UHFFFAOYSA-N 0 3 338.407 2.564 20 10 EFCDHN COc1cc(CN(CCOC(C)C)CCOC(C)C)c(O)cc1O ZINC001231635784 1312537433 /nfs/dbraw/zinc/53/74/33/1312537433.db2.gz LMOJQUBVWUNXGB-UHFFFAOYSA-N 0 3 341.448 2.758 20 10 EFCDHN COc1cc(CN2CCC[C@H](Oc3cc(C)ccn3)C2)c(O)cc1O ZINC001231640174 1312537985 /nfs/dbraw/zinc/53/79/85/1312537985.db2.gz PVRZQTKKCIZUPZ-HNNXBMFYSA-N 0 3 344.411 2.853 20 10 EFCDHN Cc1ccc(C[NH+]2CCC3(C[C@@H]3C(=O)Nc3cn[nH]c3)CC2)c([O-])c1 ZINC001277559362 1312557404 /nfs/dbraw/zinc/55/74/04/1312557404.db2.gz AMDYULHGBXAKGV-MRXNPFEDSA-N 0 3 340.427 2.665 20 10 EFCDHN Cc1noc(NC(=O)[C@H]2CC23CN(Cc2ccc(C)cc2O)C3)c1C ZINC001277560220 1312558200 /nfs/dbraw/zinc/55/82/00/1312558200.db2.gz SQBYPHUTOLWXRS-OAHLLOKOSA-N 0 3 341.411 2.766 20 10 EFCDHN COc1cc(N(C)C)ccc1CN1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC001231853701 1312575402 /nfs/dbraw/zinc/57/54/02/1312575402.db2.gz ODNTTXBHCQZJOS-HNNXBMFYSA-N 0 3 334.460 2.925 20 10 EFCDHN [O-]c1c(Cl)cccc1C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CO)C1 ZINC001231909215 1312586020 /nfs/dbraw/zinc/58/60/20/1312586020.db2.gz CAEMLPQZSQKAGC-QGZVFWFLSA-N 0 3 346.858 2.724 20 10 EFCDHN [O-]c1c(Cl)cccc1C[N@H+]1CCN(Cc2ccccc2)[C@@H](CO)C1 ZINC001231909215 1312586022 /nfs/dbraw/zinc/58/60/22/1312586022.db2.gz CAEMLPQZSQKAGC-QGZVFWFLSA-N 0 3 346.858 2.724 20 10 EFCDHN COC(=O)Cc1ccc(C[N@@H+]2CCc3ccc(OC)cc3C2)c([O-])c1 ZINC001249172429 1315029090 /nfs/dbraw/zinc/02/90/90/1315029090.db2.gz MMKPWZQVSFDNAP-UHFFFAOYSA-N 0 3 341.407 2.675 20 10 EFCDHN COC(=O)Cc1ccc(C[N@H+]2CCc3ccc(OC)cc3C2)c([O-])c1 ZINC001249172429 1315029092 /nfs/dbraw/zinc/02/90/92/1315029092.db2.gz MMKPWZQVSFDNAP-UHFFFAOYSA-N 0 3 341.407 2.675 20 10 EFCDHN COC(=O)Cc1ccc(CN2CCc3ccc(OC)cc3C2)c(O)c1 ZINC001249172429 1315029095 /nfs/dbraw/zinc/02/90/95/1315029095.db2.gz MMKPWZQVSFDNAP-UHFFFAOYSA-N 0 3 341.407 2.675 20 10 EFCDHN COC(=O)Cc1ccc(C[N@@H+]2CCc3c(C)cccc3C2)c([O-])c1 ZINC001249173712 1315029209 /nfs/dbraw/zinc/02/92/09/1315029209.db2.gz VLSBHHXLUBWGJW-UHFFFAOYSA-N 0 3 325.408 2.974 20 10 EFCDHN COC(=O)Cc1ccc(C[N@H+]2CCc3c(C)cccc3C2)c([O-])c1 ZINC001249173712 1315029213 /nfs/dbraw/zinc/02/92/13/1315029213.db2.gz VLSBHHXLUBWGJW-UHFFFAOYSA-N 0 3 325.408 2.974 20 10 EFCDHN COC(=O)Cc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)c([O-])c1 ZINC001249178067 1315029898 /nfs/dbraw/zinc/02/98/98/1315029898.db2.gz PDTLFVPXYAHPNX-OKILXGFUSA-N 0 3 325.355 2.585 20 10 EFCDHN COC(=O)Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)c([O-])c1 ZINC001249178067 1315029901 /nfs/dbraw/zinc/02/99/01/1315029901.db2.gz PDTLFVPXYAHPNX-OKILXGFUSA-N 0 3 325.355 2.585 20 10 EFCDHN COC(=O)Cc1ccc(C[N@H+](C)CCc2ccc(F)cc2)c([O-])c1 ZINC001249207547 1315033016 /nfs/dbraw/zinc/03/30/16/1315033016.db2.gz FWBIUCXNXGHASJ-UHFFFAOYSA-N 0 3 331.387 2.921 20 10 EFCDHN COC(=O)Cc1ccc(C[N@@H+](C)CCc2ccc(F)cc2)c([O-])c1 ZINC001249207547 1315033019 /nfs/dbraw/zinc/03/30/19/1315033019.db2.gz FWBIUCXNXGHASJ-UHFFFAOYSA-N 0 3 331.387 2.921 20 10 EFCDHN COC(=O)Cc1ccc(C[N@@H+]2CCC[C@H]2c2ccncc2)c([O-])c1 ZINC001249201156 1315033179 /nfs/dbraw/zinc/03/31/79/1315033179.db2.gz HVSDRFPMLBNOIH-KRWDZBQOSA-N 0 3 326.396 2.840 20 10 EFCDHN COC(=O)Cc1ccc(C[N@H+]2CCC[C@H]2c2ccncc2)c([O-])c1 ZINC001249201156 1315033181 /nfs/dbraw/zinc/03/31/81/1315033181.db2.gz HVSDRFPMLBNOIH-KRWDZBQOSA-N 0 3 326.396 2.840 20 10 EFCDHN COC(=O)Cc1ccc(C[N@H+](C)CCc2ccccc2OC)c([O-])c1 ZINC001249207703 1315033303 /nfs/dbraw/zinc/03/33/03/1315033303.db2.gz HBSYAUXQENFDJM-UHFFFAOYSA-N 0 3 343.423 2.791 20 10 EFCDHN COC(=O)Cc1ccc(C[N@@H+](C)CCc2ccccc2OC)c([O-])c1 ZINC001249207703 1315033306 /nfs/dbraw/zinc/03/33/06/1315033306.db2.gz HBSYAUXQENFDJM-UHFFFAOYSA-N 0 3 343.423 2.791 20 10 EFCDHN CC(=O)N[C@H]1CCCN(Cc2ccc3c(c2O)C=CC(C)(C)O3)C1 ZINC001249244636 1315038283 /nfs/dbraw/zinc/03/82/83/1315038283.db2.gz KFDMKDOWBSKLOJ-HNNXBMFYSA-N 0 3 330.428 2.677 20 10 EFCDHN CC(=O)N[C@H]1CCC[N@H+](Cc2ccc3c(c2[O-])C=CC(C)(C)O3)C1 ZINC001249244636 1315038287 /nfs/dbraw/zinc/03/82/87/1315038287.db2.gz KFDMKDOWBSKLOJ-HNNXBMFYSA-N 0 3 330.428 2.677 20 10 EFCDHN CC(=O)N[C@H]1CCC[N@@H+](Cc2ccc3c(c2[O-])C=CC(C)(C)O3)C1 ZINC001249244636 1315038290 /nfs/dbraw/zinc/03/82/90/1315038290.db2.gz KFDMKDOWBSKLOJ-HNNXBMFYSA-N 0 3 330.428 2.677 20 10 EFCDHN COc1ccc(OC)c(-c2noc(C[C@@H]([NH3+])c3ccccc3[O-])n2)c1 ZINC001249340056 1315055956 /nfs/dbraw/zinc/05/59/56/1315055956.db2.gz SQPFDKBQKSPOSS-CQSZACIVSA-N 0 3 341.367 2.702 20 10 EFCDHN [NH3+][C@H](Cc1nc(-c2cccnc2OC(F)F)no1)c1ccccc1[O-] ZINC001249338391 1315056249 /nfs/dbraw/zinc/05/62/49/1315056249.db2.gz CKVDLTMJPNCPAI-LLVKDONJSA-N 0 3 348.309 2.681 20 10 EFCDHN O=C1c2cccc([O-])c2C(=O)c2c(O[C@H]3CC[C@@]34CC[NH2+]C4)cccc21 ZINC001218117841 1315151172 /nfs/dbraw/zinc/15/11/72/1315151172.db2.gz UORUHRSPNWWULX-KKSFZXQISA-N 0 3 349.386 2.689 20 10 EFCDHN O=C1c2cccc(O[C@@H]3C[C@@H]4CC[NH2+][C@H]4C3)c2C(=O)c2cccc([O-])c21 ZINC001218248484 1315171396 /nfs/dbraw/zinc/17/13/96/1315171396.db2.gz HDQPWTNRDSEJSI-ZOWXZIJZSA-N 0 3 349.386 2.687 20 10 EFCDHN Cc1cc(CN2CC[C@@H](O)[C@@H](F)CC2)c(O)cc1Br ZINC001250120518 1315174648 /nfs/dbraw/zinc/17/46/48/1315174648.db2.gz GYXFYQZFIHXWRW-QWHCGFSZSA-N 0 3 332.213 2.758 20 10 EFCDHN Cc1cc(CN2CCC[C@H]3C[N@@H+](C)C[C@H]32)c([O-])cc1Br ZINC001250128838 1315176429 /nfs/dbraw/zinc/17/64/29/1315176429.db2.gz MBHAACIHTSXXIE-SWLSCSKDSA-N 0 3 339.277 2.989 20 10 EFCDHN Cc1cc(CN2CCC[C@H]3C[N@H+](C)C[C@H]32)c([O-])cc1Br ZINC001250128838 1315176433 /nfs/dbraw/zinc/17/64/33/1315176433.db2.gz MBHAACIHTSXXIE-SWLSCSKDSA-N 0 3 339.277 2.989 20 10 EFCDHN CCOC(=O)[C@H]1CCN(Cc2cc(C)c(Br)cc2O)C1 ZINC001250128234 1315176743 /nfs/dbraw/zinc/17/67/43/1315176743.db2.gz BFOGUYJNKRAOJC-NSHDSACASA-N 0 3 342.233 2.848 20 10 EFCDHN COC(=O)[C@H]1C[N@H+](Cc2cc(C)c(Br)cc2[O-])C[C@@H]1C ZINC001250136275 1315177927 /nfs/dbraw/zinc/17/79/27/1315177927.db2.gz PPHBSKVIHUXUFS-JQWIXIFHSA-N 0 3 342.233 2.704 20 10 EFCDHN COC(=O)[C@H]1C[N@@H+](Cc2cc(C)c(Br)cc2[O-])C[C@@H]1C ZINC001250136275 1315177928 /nfs/dbraw/zinc/17/79/28/1315177928.db2.gz PPHBSKVIHUXUFS-JQWIXIFHSA-N 0 3 342.233 2.704 20 10 EFCDHN CC[NH+]1C[C@H]2CN(Cc3cc(C)c(Br)cc3[O-])C[C@@H]2C1 ZINC001250136230 1315178093 /nfs/dbraw/zinc/17/80/93/1315178093.db2.gz OQQRVLOSOZBHSR-KBPBESRZSA-N 0 3 339.277 2.847 20 10 EFCDHN O=C1c2cccc(O[C@@H]3CC[C@H]4C[NH2+]C[C@H]43)c2C(=O)c2cccc([O-])c21 ZINC001218458421 1315199491 /nfs/dbraw/zinc/19/94/91/1315199491.db2.gz AWMOHIDQQYEQBZ-SGIREYDYSA-N 0 3 349.386 2.544 20 10 EFCDHN CCc1ccc(C[N@@H+]2CC[C@H]3CN(Cc4ccc[nH]4)C[C@H]32)c([O-])c1 ZINC001276804350 1315304491 /nfs/dbraw/zinc/30/44/91/1315304491.db2.gz AAWUZGKDIOUKKY-QFBILLFUSA-N 0 3 325.456 2.989 20 10 EFCDHN CCc1ccc(C[N@H+]2CC[C@H]3CN(Cc4ccc[nH]4)C[C@H]32)c([O-])c1 ZINC001276804350 1315304495 /nfs/dbraw/zinc/30/44/95/1315304495.db2.gz AAWUZGKDIOUKKY-QFBILLFUSA-N 0 3 325.456 2.989 20 10 EFCDHN CCc1ccc(C[N@@H+]2CCCC3(CN(Cc4cn[nH]c4)C3)C2)c([O-])c1 ZINC001276804395 1315306135 /nfs/dbraw/zinc/30/61/35/1315306135.db2.gz BNVWFTRLDGDGRN-UHFFFAOYSA-N 0 3 340.471 2.776 20 10 EFCDHN CCc1ccc(C[N@H+]2CCCC3(CN(Cc4cn[nH]c4)C3)C2)c([O-])c1 ZINC001276804395 1315306140 /nfs/dbraw/zinc/30/61/40/1315306140.db2.gz BNVWFTRLDGDGRN-UHFFFAOYSA-N 0 3 340.471 2.776 20 10 EFCDHN CC[C@@]1(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])CCC[NH2+]C1 ZINC001220212878 1315385749 /nfs/dbraw/zinc/38/57/49/1315385749.db2.gz ZSIMPKRNTVKDHQ-GOSISDBHSA-N 0 3 347.846 2.990 20 10 EFCDHN CC1(C)C[NH2+][C@@](C)(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])C1 ZINC001220212585 1315385994 /nfs/dbraw/zinc/38/59/94/1315385994.db2.gz PEEUNVFMBQGOOS-GOSISDBHSA-N 0 3 347.846 2.988 20 10 EFCDHN CC1CC(CN2CC[C@@H]2CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001039061756 1315434516 /nfs/dbraw/zinc/43/45/16/1315434516.db2.gz UBUVXQUXKQJDCV-SEEARECTSA-N 0 3 343.431 2.699 20 10 EFCDHN CCOc1ccc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3C(=O)NC(C)C)c([O-])c1 ZINC001276815413 1315440678 /nfs/dbraw/zinc/44/06/78/1315440678.db2.gz TWSJHKINAGBHCX-IRXDYDNUSA-N 0 3 347.459 2.558 20 10 EFCDHN CCOc1ccc(C[N@H+]2CC[C@H]3[C@@H]2CCN3C(=O)NC(C)C)c([O-])c1 ZINC001276815413 1315440681 /nfs/dbraw/zinc/44/06/81/1315440681.db2.gz TWSJHKINAGBHCX-IRXDYDNUSA-N 0 3 347.459 2.558 20 10 EFCDHN Cc1ccc(C[C@H](N)C(=O)NCc2c(C)cc(C)cc2O)c(C)c1 ZINC001220825845 1315454200 /nfs/dbraw/zinc/45/42/00/1315454200.db2.gz UTEJPYWAWXKEGN-SFHVURJKSA-N 0 3 326.440 2.812 20 10 EFCDHN CCCC[C@@H](CC)COC[C@H](O)CNCc1ccc(O)c(O)c1 ZINC001253027410 1315556830 /nfs/dbraw/zinc/55/68/30/1315556830.db2.gz WZJGASHXSQDSIS-GDBMZVCRSA-N 0 3 325.449 2.781 20 10 EFCDHN CCCC[C@H](CC)COC[C@H](O)CNCc1ccc(O)c(O)c1 ZINC001253027412 1315557133 /nfs/dbraw/zinc/55/71/33/1315557133.db2.gz WZJGASHXSQDSIS-GOEBONIOSA-N 0 3 325.449 2.781 20 10 EFCDHN C[C@H]([NH2+]C[C@@](C)(O)C(=O)OCc1ccccc1)c1ccccc1[O-] ZINC001253652847 1315624011 /nfs/dbraw/zinc/62/40/11/1315624011.db2.gz FWAJOGUAQGBBIC-IFXJQAMLSA-N 0 3 329.396 2.537 20 10 EFCDHN CC(C)Oc1ccccc1OC[C@@H](O)C[NH2+]Cc1ccccc1[O-] ZINC001254014548 1315665480 /nfs/dbraw/zinc/66/54/80/1315665480.db2.gz SZUZMCOSAZWUHT-INIZCTEOSA-N 0 3 331.412 2.709 20 10 EFCDHN C[C@@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C(=O)C1)c1ccccc1[O-] ZINC001254234845 1315685985 /nfs/dbraw/zinc/68/59/85/1315685985.db2.gz MKVYBABETQLMNI-OLZOCXBDSA-N 0 3 334.416 2.969 20 10 EFCDHN COc1ccc(N2CCN(C3C[C@@H]4CC(=O)C[C@H]4C3)CC2)c(C)c1 ZINC001254963960 1315766253 /nfs/dbraw/zinc/76/62/53/1315766253.db2.gz MUBLZNXATLAAEK-HZPDHXFCSA-N 0 3 328.456 2.883 20 10 EFCDHN COc1ccc(N2CCN(C3Cc4ccccc4C3)CC2)c(OC)c1 ZINC001255026316 1315773824 /nfs/dbraw/zinc/77/38/24/1315773824.db2.gz UITYAMTYDLJAJV-UHFFFAOYSA-N 0 3 338.451 2.993 20 10 EFCDHN CC[C@H]([NH2+]CCN1C(=O)COc2ccccc21)c1ccccc1[O-] ZINC001255156267 1315784054 /nfs/dbraw/zinc/78/40/54/1315784054.db2.gz JERCNHKMXLSUSB-HNNXBMFYSA-N 0 3 326.396 2.859 20 10 EFCDHN CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCc3cccc([O-])c3C1)C2 ZINC001255213777 1315792078 /nfs/dbraw/zinc/79/20/78/1315792078.db2.gz IPBXVAAKBORFSS-MUJYYYPQSA-N 0 3 330.428 2.902 20 10 EFCDHN CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCc3cccc([O-])c3C1)C2 ZINC001255213777 1315792082 /nfs/dbraw/zinc/79/20/82/1315792082.db2.gz IPBXVAAKBORFSS-MUJYYYPQSA-N 0 3 330.428 2.902 20 10 EFCDHN CCOC(=O)[C@@H]1CCC[C@H](N2CCCc3cc(O)c(O)cc3C2)C1 ZINC001255375696 1315812239 /nfs/dbraw/zinc/81/22/39/1315812239.db2.gz BYQUCYXRNWHJER-ZBFHGGJFSA-N 0 3 333.428 2.968 20 10 EFCDHN CCOC(=O)CCC(CCC(=O)OCC)[NH2+]Cc1ccccc1[O-] ZINC001255990578 1315889676 /nfs/dbraw/zinc/88/96/76/1315889676.db2.gz NTRWVGODQOFPJF-UHFFFAOYSA-N 0 3 337.416 2.537 20 10 EFCDHN COC(=O)[C@H]1C[C@@H](NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000827500389 1315991608 /nfs/dbraw/zinc/99/16/08/1315991608.db2.gz ABEDYMOIRCDZIO-GASCZTMLSA-N 0 3 347.415 2.626 20 10 EFCDHN COCCOc1ccc(N2CCN([C@@H]3CCCSC3)CC2)cc1 ZINC001257684531 1316085661 /nfs/dbraw/zinc/08/56/61/1316085661.db2.gz UMJCSQNSEABOAK-QGZVFWFLSA-N 0 3 336.501 2.729 20 10 EFCDHN COc1cccc(CNC2CN(C(=O)OCc3ccccc3)C2)c1O ZINC000397292506 1316397185 /nfs/dbraw/zinc/39/71/85/1316397185.db2.gz XWGGTQNFMPEWJP-UHFFFAOYSA-N 0 3 342.395 2.511 20 10 EFCDHN COc1ccc(CN[C@H]2CN(C)Cc3ccccc32)c(O)c1OC ZINC001262364528 1316463986 /nfs/dbraw/zinc/46/39/86/1316463986.db2.gz ZSXUGNIQMAOYCP-INIZCTEOSA-N 0 3 328.412 2.686 20 10 EFCDHN Cc1ccc(CN2CC3(CN(Cc4nc5ccccc5[nH]4)C3)C2)c(O)c1 ZINC001279339023 1317239656 /nfs/dbraw/zinc/23/96/56/1317239656.db2.gz UWTUZHNACUUCEC-UHFFFAOYSA-N 0 3 348.450 2.895 20 10 EFCDHN C[C@H]1SCCN(Cc2ccc(N3CCN(C)CC3)c(F)c2)[C@@H]1C ZINC001319712630 1328960375 /nfs/dbraw/zinc/96/03/75/1328960375.db2.gz PTRJIWAOMLUQKG-HUUCEWRRSA-N 0 3 337.508 2.903 20 10 EFCDHN C[C@H]([NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F)C(=O)NCC(F)(F)F ZINC001320130180 1329092786 /nfs/dbraw/zinc/09/27/86/1329092786.db2.gz JLPDVUPPZPHTFP-WEDXCCLWSA-N 0 3 334.313 2.736 20 10 EFCDHN CCOC(=O)C[C@@H]1CCC[N@@H+]1Cc1cc(Cl)cc(OC)c1[O-] ZINC001320469522 1329139098 /nfs/dbraw/zinc/13/90/98/1329139098.db2.gz DKJLVBSKQGHKJW-ZDUSSCGKSA-N 0 3 327.808 2.972 20 10 EFCDHN CCOC(=O)C[C@@H]1CCC[N@H+]1Cc1cc(Cl)cc(OC)c1[O-] ZINC001320469522 1329139099 /nfs/dbraw/zinc/13/90/99/1329139099.db2.gz DKJLVBSKQGHKJW-ZDUSSCGKSA-N 0 3 327.808 2.972 20 10 EFCDHN CCOC(=O)C[C@@H]1CCCN1Cc1cc(Cl)cc(OC)c1O ZINC001320469522 1329139104 /nfs/dbraw/zinc/13/91/04/1329139104.db2.gz DKJLVBSKQGHKJW-ZDUSSCGKSA-N 0 3 327.808 2.972 20 10 EFCDHN Cc1ccc([C@H](C)[NH2+]CCN2C(=O)COc3ccccc32)c([O-])c1 ZINC001321028528 1329333035 /nfs/dbraw/zinc/33/30/35/1329333035.db2.gz UVCOBQKQPKBTTD-AWEZNQCLSA-N 0 3 326.396 2.777 20 10 EFCDHN Cc1ccc([C@@H](C)[NH2+]CCN2C(=O)COc3ccccc32)c([O-])c1 ZINC001321028529 1329333056 /nfs/dbraw/zinc/33/30/56/1329333056.db2.gz UVCOBQKQPKBTTD-CQSZACIVSA-N 0 3 326.396 2.777 20 10 EFCDHN COCn1ncc(C)c1CNCc1ccc(N2CCSCC2)cc1 ZINC001326023151 1329730470 /nfs/dbraw/zinc/73/04/70/1329730470.db2.gz VXMUSXXLMREZLK-UHFFFAOYSA-N 0 3 346.500 2.638 20 10 EFCDHN CCN1CCN(c2ccc(NC(=O)Cc3ccc(N)cc3)cc2)CC1 ZINC001326281851 1329743784 /nfs/dbraw/zinc/74/37/84/1329743784.db2.gz ZLHFSPDRFVEZBE-UHFFFAOYSA-N 0 3 338.455 2.592 20 10 EFCDHN CN1CCN(c2ccc(CN3CCSC[C@@H]3C3CC3)cc2F)CC1 ZINC001327953828 1330534121 /nfs/dbraw/zinc/53/41/21/1330534121.db2.gz ZMROLYXLENPVCT-LJQANCHMSA-N 0 3 349.519 2.905 20 10 EFCDHN CCOc1ccc(N2CCN(CCCC(=O)NCC(C)C)CC2)cc1 ZINC001333588236 1331175221 /nfs/dbraw/zinc/17/52/21/1331175221.db2.gz UNKHIGQBBFQNRL-UHFFFAOYSA-N 0 3 347.503 2.760 20 10 EFCDHN Nc1ccc(CN2CCCN(C(=O)CCc3ccccc3)CC2)cc1 ZINC001336117660 1331437080 /nfs/dbraw/zinc/43/70/80/1331437080.db2.gz PXCZOZQVRDXPDT-UHFFFAOYSA-N 0 3 337.467 2.936 20 10 EFCDHN Cc1nc(CNCc2ccc(N3CCN(C)CC3)cc2)sc1C ZINC001336254557 1331451724 /nfs/dbraw/zinc/45/17/24/1331451724.db2.gz VGVMMWVEKOVFIA-UHFFFAOYSA-N 0 3 330.501 2.802 20 10 EFCDHN COC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC001338953640 1331761620 /nfs/dbraw/zinc/76/16/20/1331761620.db2.gz SOGYZVAZWJQHSB-CHWSQXEVSA-N 0 3 342.233 2.894 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=O)/C=C\c2nccs2)N(C)C)cc1 ZINC001339018616 1331770912 /nfs/dbraw/zinc/77/09/12/1331770912.db2.gz OGBVCSVCFYUJGB-ZBTGYSDGSA-N 0 3 344.484 2.641 20 10 EFCDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1CCCCN1C ZINC001349332710 1332939384 /nfs/dbraw/zinc/93/93/84/1332939384.db2.gz ZTFWMKWQCZXMLE-SFHVURJKSA-N 0 3 332.492 2.768 20 10 EFCDHN C[C@@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)n1cccc1 ZINC001352167231 1333411521 /nfs/dbraw/zinc/41/15/21/1333411521.db2.gz IZWZUQAXJKTUBA-MAUKXSAKSA-N 0 3 328.460 2.534 20 10 EFCDHN Cc1cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)oc1C ZINC001355059735 1334685242 /nfs/dbraw/zinc/68/52/42/1334685242.db2.gz HFIKNLIPGBKPRB-QGZVFWFLSA-N 0 3 329.444 2.995 20 10 EFCDHN COc1ccc(N2CCC(N[C@@H]3CCCn4ccnc43)CC2)cc1 ZINC000848525713 1334774496 /nfs/dbraw/zinc/77/44/96/1334774496.db2.gz RABYLILKBRNUCZ-GOSISDBHSA-N 0 3 326.444 2.985 20 10 EFCDHN Cn1nnc2c1CC[C@H]([NH2+]Cc1cc(-c3ccccc3)ccc1[O-])C2 ZINC000848566462 1334797462 /nfs/dbraw/zinc/79/74/62/1334797462.db2.gz YLQGKECYQGMKOD-KRWDZBQOSA-N 0 3 334.423 2.835 20 10 EFCDHN CCc1cccc(CN[C@@](C)(CC(=O)OC)c2ccncc2)c1O ZINC000848903811 1334974661 /nfs/dbraw/zinc/97/46/61/1334974661.db2.gz DWCGGSOMGQFDOK-IBGZPJMESA-N 0 3 328.412 2.918 20 10 EFCDHN CCc1cccc(CNCC(=O)Nc2cc(OC)cc(OC)c2)c1O ZINC000848918155 1334985882 /nfs/dbraw/zinc/98/58/82/1334985882.db2.gz QRLPIGFWYYNDHX-UHFFFAOYSA-N 0 3 344.411 2.700 20 10 EFCDHN COc1cccc(CN2CCC(Oc3ncc(C)cn3)CC2)c1O ZINC000848924854 1334989995 /nfs/dbraw/zinc/98/99/95/1334989995.db2.gz DQWNLVSGPMDTKL-UHFFFAOYSA-N 0 3 329.400 2.543 20 10 EFCDHN CCOc1ccc(C[NH+]2CCC(Oc3ncc(C)cn3)CC2)c([O-])c1 ZINC000848924961 1334991232 /nfs/dbraw/zinc/99/12/32/1334991232.db2.gz ITRGZHVETFHYBB-UHFFFAOYSA-N 0 3 343.427 2.933 20 10 EFCDHN CCOc1ccc(CN2CCC(Oc3ncc(C)cn3)CC2)c(O)c1 ZINC000848924961 1334991236 /nfs/dbraw/zinc/99/12/36/1334991236.db2.gz ITRGZHVETFHYBB-UHFFFAOYSA-N 0 3 343.427 2.933 20 10 EFCDHN Nc1ccc(CNC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC001356571313 1335054754 /nfs/dbraw/zinc/05/47/54/1335054754.db2.gz QSBJMMWJVOKAJG-IBGZPJMESA-N 0 3 338.455 2.733 20 10 EFCDHN CSCC[C@H]([NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F)C(=O)N(C)C ZINC000806663011 713470329 /nfs/dbraw/zinc/47/03/29/713470329.db2.gz RKJKBTUFTSITCG-WCFLWFBJSA-N 0 3 340.464 2.879 20 10 EFCDHN COC(=O)[C@@]1(C)CC[N@H+](Cc2c([O-])ccc3ccc(OC)cc32)C1 ZINC000177218420 717946865 /nfs/dbraw/zinc/94/68/65/717946865.db2.gz KCLCVAALLZZTTI-IBGZPJMESA-N 0 3 329.396 2.939 20 10 EFCDHN COC(=O)[C@@]1(C)CC[N@@H+](Cc2c([O-])ccc3ccc(OC)cc32)C1 ZINC000177218420 717946866 /nfs/dbraw/zinc/94/68/66/717946866.db2.gz KCLCVAALLZZTTI-IBGZPJMESA-N 0 3 329.396 2.939 20 10 EFCDHN CC(C)c1cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)no1 ZINC000891246399 714133522 /nfs/dbraw/zinc/13/35/22/714133522.db2.gz CBIHQGFZBRHDDP-QGZVFWFLSA-N 0 3 344.459 2.897 20 10 EFCDHN CO[C@@H]1CCC[C@H](C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC000891247100 714134714 /nfs/dbraw/zinc/13/47/14/714134714.db2.gz HJYJGOBXDCJRLK-UHOSZYNNSA-N 0 3 347.503 2.677 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)C(C)(Cl)Cl)N(C)C)cc1 ZINC000891248342 714136080 /nfs/dbraw/zinc/13/60/80/714136080.db2.gz KWEDNKSRSDKKFA-ZDUSSCGKSA-N 0 3 332.275 2.665 20 10 EFCDHN COCC1(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)CCCC1 ZINC000891249831 714139195 /nfs/dbraw/zinc/13/91/95/714139195.db2.gz TXIRCVYMZYZQTO-GOSISDBHSA-N 0 3 347.503 2.678 20 10 EFCDHN CCC1=C(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)CCCO1 ZINC000891248712 714139612 /nfs/dbraw/zinc/13/96/12/714139612.db2.gz NDXCVUHBNAIVKP-SFHVURJKSA-N 0 3 345.487 2.946 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)c2occ3c2CCC3)N(C)C)cc1 ZINC000891250265 714141976 /nfs/dbraw/zinc/14/19/76/714141976.db2.gz WEFCYSYZRCTDDM-SFHVURJKSA-N 0 3 341.455 2.867 20 10 EFCDHN COc1csc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)c1 ZINC000891251968 714142818 /nfs/dbraw/zinc/14/28/18/714142818.db2.gz ISOGFUUQOSJKQM-MRXNPFEDSA-N 0 3 347.484 2.855 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=O)CCc2ccco2)N(C)C)cc1 ZINC000891251675 714145637 /nfs/dbraw/zinc/14/56/37/714145637.db2.gz DTILAJWVIJORIL-GOSISDBHSA-N 0 3 329.444 2.697 20 10 EFCDHN Cc1cc(C)c(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)o1 ZINC000891252815 714146263 /nfs/dbraw/zinc/14/62/63/714146263.db2.gz NYIRYTIMXXDNHM-KRWDZBQOSA-N 0 3 329.444 2.995 20 10 EFCDHN CC1=C(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)CCCO1 ZINC000891252870 714146443 /nfs/dbraw/zinc/14/64/43/714146443.db2.gz OGQUSGMTMGJWQV-SFHVURJKSA-N 0 3 331.460 2.556 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)CC[C@@H]2CCCCO2)N(C)C)cc1 ZINC000891252319 714146875 /nfs/dbraw/zinc/14/68/75/714146875.db2.gz JKPZDOXJWVCOLI-OALUTQOASA-N 0 3 347.503 2.821 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)c2cc3occc3[nH]2)N(C)C)cc1 ZINC000891253407 714147421 /nfs/dbraw/zinc/14/74/21/714147421.db2.gz SHMMRRVMEVIDOV-KRWDZBQOSA-N 0 3 340.427 2.860 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=O)CCC(F)(F)F)N(C)C)cc1 ZINC000891253848 714148053 /nfs/dbraw/zinc/14/80/53/714148053.db2.gz UUXJCGQCILEUNI-CQSZACIVSA-N 0 3 331.382 2.814 20 10 EFCDHN CCCCO[C@H](C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891254716 714148337 /nfs/dbraw/zinc/14/83/37/714148337.db2.gz IQIJAQPXHUXNRY-CRAIPNDOSA-N 0 3 335.492 2.677 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)/C=C/c2cccnc2)N(C)C)cc1 ZINC000891255922 714150245 /nfs/dbraw/zinc/15/02/45/714150245.db2.gz SRCJLATVESBJFE-UBIUBJKMSA-N 0 3 338.455 2.580 20 10 EFCDHN CC(C)c1cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)[nH]n1 ZINC000891256533 714150971 /nfs/dbraw/zinc/15/09/71/714150971.db2.gz ZDRDDZOTKZTMHR-SFHVURJKSA-N 0 3 343.475 2.632 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=O)Cc2cccc(F)c2)N(C)C)cc1 ZINC000891257758 714152370 /nfs/dbraw/zinc/15/23/70/714152370.db2.gz JXWODRJOONMDSZ-LJQANCHMSA-N 0 3 343.446 2.853 20 10 EFCDHN CN(C)[C@@H]1Cc2ccccc2N(C(=O)/C=C\c2cncc(F)c2)C1 ZINC000255232618 714396776 /nfs/dbraw/zinc/39/67/76/714396776.db2.gz WPFOFHYLJBFYHT-ZPUOCTKUSA-N 0 3 325.387 2.753 20 10 EFCDHN COC(=O)c1ccc(CN(C)Cc2ccc(OC)c(OC)c2O)cc1 ZINC000891700670 714961378 /nfs/dbraw/zinc/96/13/78/714961378.db2.gz XGYOSOPWWJQRFQ-UHFFFAOYSA-N 0 3 345.395 2.828 20 10 EFCDHN COC(=O)[C@@H](C)Oc1ccccc1CN(C)Cc1ccccc1O ZINC000891714256 714970790 /nfs/dbraw/zinc/97/07/90/714970790.db2.gz UEJMMCYNIAJJIP-CQSZACIVSA-N 0 3 329.396 2.965 20 10 EFCDHN [O-]c1c(Br)cccc1C[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000048797160 715508309 /nfs/dbraw/zinc/50/83/09/715508309.db2.gz RPHOYPIHWYOFRE-NSHDSACASA-N 0 3 325.250 2.729 20 10 EFCDHN COc1ccc(CN2CCC(C)(c3nc(C)no3)CC2)c(O)c1OC ZINC000893487462 716005827 /nfs/dbraw/zinc/00/58/27/716005827.db2.gz JXWQFPITJQEEGC-UHFFFAOYSA-N 0 3 347.415 2.655 20 10 EFCDHN CCN1CCCC[C@@H]1C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000104328955 716032754 /nfs/dbraw/zinc/03/27/54/716032754.db2.gz GZGKYDSCJGPDGV-QFBILLFUSA-N 0 3 345.487 2.575 20 10 EFCDHN C[C@@H]1C[C@@H]([NH2+]CCC(C)(C)S(C)(=O)=O)c2c1c(F)ccc2[O-] ZINC000840875335 716806244 /nfs/dbraw/zinc/80/62/44/716806244.db2.gz CUFMGAKZRWJSAD-ZYHUDNBSSA-N 0 3 329.437 2.883 20 10 EFCDHN CC(C)N1CCC[C@@H](N(Cc2ccccc2O)C[C@@H]2CCCO2)C1=O ZINC000179306374 717382249 /nfs/dbraw/zinc/38/22/49/717382249.db2.gz YOGBXMGGHZIIMD-ZWKOTPCHSA-N 0 3 346.471 2.773 20 10 EFCDHN CCn1cc(CN[C@@H](C)c2ccc(N3CCOCC3)cc2)c(C)n1 ZINC000892728925 719057136 /nfs/dbraw/zinc/05/71/36/719057136.db2.gz HQAYZFZJGNRXJI-HNNXBMFYSA-N 0 3 328.460 2.899 20 10 EFCDHN C[C@@H](NCc1cnn(C)c1C1CC1)c1ccc(N2CCOCC2)cc1 ZINC000892730348 719061158 /nfs/dbraw/zinc/06/11/58/719061158.db2.gz GQWAKBWCFQWULW-OAHLLOKOSA-N 0 3 340.471 2.985 20 10 EFCDHN COc1ccc(CN[C@@H]2CCCc3nc(C)ncc32)c(O)c1OC ZINC000892949240 719315515 /nfs/dbraw/zinc/31/55/15/719315515.db2.gz OKAHJCWECVANQU-CQSZACIVSA-N 0 3 329.400 2.675 20 10 EFCDHN CN(C)[C@@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)c1ccccc1 ZINC000180591751 719952511 /nfs/dbraw/zinc/95/25/11/719952511.db2.gz OJCSDLVXKQRPST-SOGBHIHOSA-N 0 3 326.396 2.530 20 10 EFCDHN CC[NH+](CC)CCO[C@H]1CCN(Cc2cc(F)cc(F)c2[O-])C1 ZINC000894070551 720266347 /nfs/dbraw/zinc/26/63/47/720266347.db2.gz CPUCHKUSUFOMON-HNNXBMFYSA-N 0 3 328.403 2.603 20 10 EFCDHN CCCN(Cc1c(O)ccc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000014264432 720306507 /nfs/dbraw/zinc/30/65/07/720306507.db2.gz YMTAPEKGYKEBBU-OAHLLOKOSA-N 0 3 333.453 2.945 20 10 EFCDHN CCC[N@H+](Cc1c([O-])ccc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000014264432 720306511 /nfs/dbraw/zinc/30/65/11/720306511.db2.gz YMTAPEKGYKEBBU-OAHLLOKOSA-N 0 3 333.453 2.945 20 10 EFCDHN CCC[N@@H+](Cc1c([O-])ccc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000014264432 720306518 /nfs/dbraw/zinc/30/65/18/720306518.db2.gz YMTAPEKGYKEBBU-OAHLLOKOSA-N 0 3 333.453 2.945 20 10 EFCDHN CCN1CCN(c2ccc(CNCc3ocnc3C)cc2F)CC1 ZINC000894233782 721352397 /nfs/dbraw/zinc/35/23/97/721352397.db2.gz NPVZYQYXGMOQOX-UHFFFAOYSA-N 0 3 332.423 2.554 20 10 EFCDHN CC(C)N(CCN(C)C)C(=O)NCCCSc1nccs1 ZINC000159636926 722623912 /nfs/dbraw/zinc/62/39/12/722623912.db2.gz VOPPXXYPNZIMGY-UHFFFAOYSA-N 0 3 330.523 2.607 20 10 EFCDHN CCOc1ccc(NC(=O)CNCc2cc(C)cc(OC)c2O)cc1 ZINC000894386856 722679074 /nfs/dbraw/zinc/67/90/74/722679074.db2.gz NXBMUAJOYGADSX-UHFFFAOYSA-N 0 3 344.411 2.836 20 10 EFCDHN CC(=O)Nc1cccc(CNCc2ccc(N3CCOCC3)cc2)c1 ZINC000048712757 722717765 /nfs/dbraw/zinc/71/77/65/722717765.db2.gz AJPUBLQTCKSXGW-UHFFFAOYSA-N 0 3 339.439 2.771 20 10 EFCDHN COc1ccc(CN2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c(O)c1OC ZINC000894553966 722781139 /nfs/dbraw/zinc/78/11/39/722781139.db2.gz VYQJALXZBFZXJZ-QAPCUYQASA-N 0 3 333.428 2.943 20 10 EFCDHN COc1ccc(CN[C@@H](c2cccnc2)C(C)(C)CO)c(O)c1OC ZINC000894614021 722796885 /nfs/dbraw/zinc/79/68/85/722796885.db2.gz WJSIXQDESQGAGO-SFHVURJKSA-N 0 3 346.427 2.654 20 10 EFCDHN COc1ccc(CN2CCC(OC)(C(F)(F)F)CC2)c(O)c1OC ZINC000894951337 723036338 /nfs/dbraw/zinc/03/63/38/723036338.db2.gz MQGHVASKQSKXNV-UHFFFAOYSA-N 0 3 349.349 2.953 20 10 EFCDHN CCc1cccc(NC(=O)CNCc2cc(OC)c(OC)cc2O)c1 ZINC000895039684 723057505 /nfs/dbraw/zinc/05/75/05/723057505.db2.gz PWFAZBLYJSOCMK-UHFFFAOYSA-N 0 3 344.411 2.700 20 10 EFCDHN COc1ccc(CN2CCC(C(=O)OC(C)C)CC2)c(O)c1OC ZINC000896058735 723113531 /nfs/dbraw/zinc/11/35/31/723113531.db2.gz QVHPDIJIXYCRBU-UHFFFAOYSA-N 0 3 337.416 2.573 20 10 EFCDHN COc1cc(O)c(CN2CCC(Nc3ccccn3)CC2)cc1OC ZINC000896194833 723198795 /nfs/dbraw/zinc/19/87/95/723198795.db2.gz GLOWYMLVJUFSEK-UHFFFAOYSA-N 0 3 343.427 2.881 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=O)NC[C@H]2C=CCC2)N(C)C)cc1 ZINC000896418341 723294098 /nfs/dbraw/zinc/29/40/98/723294098.db2.gz MLJXBNFYNWWKAQ-MAUKXSAKSA-N 0 3 330.476 2.621 20 10 EFCDHN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000895393893 724109031 /nfs/dbraw/zinc/10/90/31/724109031.db2.gz JCQKJMJETUZDBY-QFBILLFUSA-N 0 3 346.519 2.728 20 10 EFCDHN Cn1cc(CNCc2ccc(N3CCC(O)CC3)cc2)c(C2CC2)n1 ZINC000895450536 724139510 /nfs/dbraw/zinc/13/95/10/724139510.db2.gz AUTIHIVDCJSUOH-UHFFFAOYSA-N 0 3 340.471 2.548 20 10 EFCDHN COc1ccc(CN2CC[C@H](OCc3ccccn3)C2)c(O)c1OC ZINC000895492810 724158722 /nfs/dbraw/zinc/15/87/22/724158722.db2.gz FUNUTWNSJNGSQD-INIZCTEOSA-N 0 3 344.411 2.596 20 10 EFCDHN CCO/C=C/[C@](O)(CNCc1ccc2c(c1)CCO2)C(F)(F)F ZINC000895709305 724279682 /nfs/dbraw/zinc/27/96/82/724279682.db2.gz ZDRVXLQDZIBNSJ-VFADXPBXSA-N 0 3 331.334 2.555 20 10 EFCDHN CCO/C=C/[C@](O)(C[NH2+]Cc1ccc(OCC)cc1[O-])C(F)(F)F ZINC000895709217 724279893 /nfs/dbraw/zinc/27/98/93/724279893.db2.gz XXMORCRBZDYYDY-KIUWMYQTSA-N 0 3 349.349 2.724 20 10 EFCDHN COc1cc(O)c(CNCc2cnn(CC3CCC3)c2)cc1OC ZINC000897433064 725758525 /nfs/dbraw/zinc/75/85/25/725758525.db2.gz SUHUEKXHCCXKKH-UHFFFAOYSA-N 0 3 331.416 2.696 20 10 EFCDHN COc1cccc([O-])c1C[NH2+]CCCC(=O)N1Cc2ccccc2C1 ZINC000732232669 727011316 /nfs/dbraw/zinc/01/13/16/727011316.db2.gz PVDDMDMSRMUJBJ-UHFFFAOYSA-N 0 3 340.423 2.813 20 10 EFCDHN CCCN(C)CC(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F ZINC000912106696 727654509 /nfs/dbraw/zinc/65/45/09/727654509.db2.gz NRXVESJHGAQBJL-UHFFFAOYSA-N 0 3 345.409 2.985 20 10 EFCDHN CC[C@H](C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F)N(C)C ZINC000912107663 727654761 /nfs/dbraw/zinc/65/47/61/727654761.db2.gz VIXFBBPJTBVHCI-OAHLLOKOSA-N 0 3 345.409 2.984 20 10 EFCDHN CC[C@H](CNC(=O)Cc1ccc(N)cc1)N1CCc2ccccc2C1 ZINC000164947509 728000426 /nfs/dbraw/zinc/00/04/26/728000426.db2.gz GTMKSCRUKZWJPY-HXUWFJFHSA-N 0 3 337.467 2.764 20 10 EFCDHN COc1ccc(O)c([C@@H](C)NCC(=O)N([C@H](C)C2CC2)C2CC2)c1 ZINC000182414083 728152479 /nfs/dbraw/zinc/15/24/79/728152479.db2.gz DFMXFRVZAMXEBC-CHWSQXEVSA-N 0 3 332.444 2.841 20 10 EFCDHN COc1ccc(O)c([C@@H](C)NCC(=O)Nc2ccc(C#N)cc2)c1 ZINC000182415250 728152546 /nfs/dbraw/zinc/15/25/46/728152546.db2.gz VCJDGVXDJUFRLS-GFCCVEGCSA-N 0 3 325.368 2.562 20 10 EFCDHN C[C@@H]([NH2+][C@H]1CC(=O)N(CCOc2ccccc2)C1)c1ccccc1[O-] ZINC000183612395 728203546 /nfs/dbraw/zinc/20/35/46/728203546.db2.gz LKDUTTSXBARAJD-CVEARBPZSA-N 0 3 340.423 2.723 20 10 EFCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@H]1CN(Cc3ccccc3)CCO1)CC2 ZINC000382418551 728236652 /nfs/dbraw/zinc/23/66/52/728236652.db2.gz AWDTVZCAYPPGBX-OALUTQOASA-N 0 3 338.451 2.870 20 10 EFCDHN CCCN(CC(=O)NCCOc1ccccc1)Cc1ccccc1O ZINC000069009893 729770519 /nfs/dbraw/zinc/77/05/19/729770519.db2.gz OZJJUJLRCJSHPT-UHFFFAOYSA-N 0 3 342.439 2.799 20 10 EFCDHN Cc1cc(Br)cc(C[NH2+]C2(CO)CCSCC2)c1[O-] ZINC000839183173 1099648078 /nfs/dbraw/zinc/64/80/78/1099648078.db2.gz VEHUEESDZSALQN-UHFFFAOYSA-N 0 3 346.290 2.811 20 10 EFCDHN COc1ccc(C[C@](C)(CO)[NH2+]Cc2cc(F)ccc2[O-])cc1OC ZINC000877831607 1126123459 /nfs/dbraw/zinc/12/34/59/1126123459.db2.gz VKILLYWAHKTTRC-LJQANCHMSA-N 0 3 349.402 2.632 20 10 EFCDHN C[C@H]([NH2+][C@@H]1Cc2ccc(-c3nnn[n-]3)cc2C1)c1ccc(N(C)C)cc1 ZINC001589956436 1093193264 /nfs/dbraw/zinc/19/32/64/1093193264.db2.gz OYIFTHORVTVLOL-SCLBCKFNSA-N 0 3 348.454 2.751 20 10 EFCDHN C[C@H]([NH2+][C@@H]1Cc2ccc(-c3nn[n-]n3)cc2C1)c1ccc(N(C)C)cc1 ZINC001589956436 1093193268 /nfs/dbraw/zinc/19/32/68/1093193268.db2.gz OYIFTHORVTVLOL-SCLBCKFNSA-N 0 3 348.454 2.751 20 10 EFCDHN C[C@@H]([NH2+][C@@H]1Cc2ccc(-c3nnn[n-]3)cc2C1)c1ccc(N(C)C)cc1 ZINC001589956433 1093193682 /nfs/dbraw/zinc/19/36/82/1093193682.db2.gz OYIFTHORVTVLOL-FZKQIMNGSA-N 0 3 348.454 2.751 20 10 EFCDHN C[C@@H]([NH2+][C@@H]1Cc2ccc(-c3nn[n-]n3)cc2C1)c1ccc(N(C)C)cc1 ZINC001589956433 1093193687 /nfs/dbraw/zinc/19/36/87/1093193687.db2.gz OYIFTHORVTVLOL-FZKQIMNGSA-N 0 3 348.454 2.751 20 10 EFCDHN C[C@@H]([NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)c1ccc(N(C)C)cc1 ZINC001589968230 1093201062 /nfs/dbraw/zinc/20/10/62/1093201062.db2.gz RBENRNFUVAGQJR-GFCCVEGCSA-N 0 3 340.406 2.923 20 10 EFCDHN CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590688172 1093549115 /nfs/dbraw/zinc/54/91/15/1093549115.db2.gz XCULRDPHZYNWCC-ZIAGYGMSSA-N 0 3 346.479 2.733 20 10 EFCDHN COc1cc(C)cc(C[NH2+][C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1O ZINC001591519927 1093747091 /nfs/dbraw/zinc/74/70/91/1093747091.db2.gz FOHUOSBYKMHLSC-LBPRGKRZSA-N 0 3 339.399 2.740 20 10 EFCDHN COc1ccc(C[NH2+][C@@H](C)c2ccc(C)cc2O)cc1-c1nnn[n-]1 ZINC001591596192 1093785997 /nfs/dbraw/zinc/78/59/97/1093785997.db2.gz HXCKOEXCOPXIML-LBPRGKRZSA-N 0 3 339.399 2.740 20 10 EFCDHN Cc1cc(O)c(C[N@H+](C)Cc2cc(-c3nnn[n-]3)cs2)cc1C ZINC001592055787 1093968884 /nfs/dbraw/zinc/96/88/84/1093968884.db2.gz GFCKTPNRLHDIBE-UHFFFAOYSA-N 0 3 329.429 2.883 20 10 EFCDHN Cc1cc(O)c(C[N@@H+](C)Cc2cc(-c3nnn[n-]3)cs2)cc1C ZINC001592055787 1093968885 /nfs/dbraw/zinc/96/88/85/1093968885.db2.gz GFCKTPNRLHDIBE-UHFFFAOYSA-N 0 3 329.429 2.883 20 10 EFCDHN c1cc(-c2nnn[n-]2)ccc1CC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001593547624 1094357472 /nfs/dbraw/zinc/35/74/72/1094357472.db2.gz PLRAIVDKOXXMEY-UHFFFAOYSA-N 0 3 335.411 2.524 20 10 EFCDHN c1cc(-c2nn[n-]n2)ccc1CC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001593547624 1094357482 /nfs/dbraw/zinc/35/74/82/1094357482.db2.gz PLRAIVDKOXXMEY-UHFFFAOYSA-N 0 3 335.411 2.524 20 10 EFCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H]2CCCNC2=O)c1[O-] ZINC000840826208 1101754387 /nfs/dbraw/zinc/75/43/87/1101754387.db2.gz STMVVXQKKFNMIT-MNOVXSKESA-N 0 3 341.249 2.640 20 10 EFCDHN CC[NH+](CC)CCN1CCN(Cc2ccc(Cl)cc2[O-])CC1 ZINC001140461905 1102407912 /nfs/dbraw/zinc/40/79/12/1102407912.db2.gz XILGEIOJAHJCMY-UHFFFAOYSA-N 0 3 325.884 2.505 20 10 EFCDHN CCOc1ccc(C[N@H+]2C[C@@H](Cc3ccccc3)[C@H](O)C2)c([O-])c1 ZINC000898142802 1106249355 /nfs/dbraw/zinc/24/93/55/1106249355.db2.gz SNONTHODDHVELH-YLJYHZDGSA-N 0 3 327.424 2.826 20 10 EFCDHN CCOc1ccc(C[N@@H+]2C[C@@H](Cc3ccccc3)[C@H](O)C2)c([O-])c1 ZINC000898142802 1106249358 /nfs/dbraw/zinc/24/93/58/1106249358.db2.gz SNONTHODDHVELH-YLJYHZDGSA-N 0 3 327.424 2.826 20 10 EFCDHN C[C@@H]1CN(c2ccc(CNC[C@@](C)(O)C(F)F)cc2F)C[C@H](C)O1 ZINC000905054937 1108363380 /nfs/dbraw/zinc/36/33/80/1108363380.db2.gz LSDLWQYOWSTCPF-BWACUDIHSA-N 0 3 346.393 2.545 20 10 EFCDHN CN(C)c1ccc([C@@H](C[NH2+]Cc2cc(F)ccc2[O-])N(C)C)cc1 ZINC000898449777 1108942885 /nfs/dbraw/zinc/94/28/85/1108942885.db2.gz KFYBWWYZDSDYDR-GOSISDBHSA-N 0 3 331.435 2.990 20 10 EFCDHN CC[C@@H]1CCCN1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899101367 1109202194 /nfs/dbraw/zinc/20/21/94/1109202194.db2.gz JTUUNFOETMQLGN-SJLPKXTDSA-N 0 3 332.492 2.939 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=O)N2CCC[C@H]2C2CC2)N(C)C)cc1 ZINC000899102545 1109203195 /nfs/dbraw/zinc/20/31/95/1109203195.db2.gz QKSYGFKATYJMGJ-RBUKOAKNSA-N 0 3 344.503 2.939 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)N(C2CC2)C2CC2)N(C)C)cc1 ZINC000899098230 1109206629 /nfs/dbraw/zinc/20/66/29/1109206629.db2.gz MTSXZABMJFNPHN-SFHVURJKSA-N 0 3 330.476 2.692 20 10 EFCDHN C[C@H]1CN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)C[C@H]1C ZINC000899100497 1109207945 /nfs/dbraw/zinc/20/79/45/1109207945.db2.gz AGHQPJBZKZVJNE-RVKKMQEKSA-N 0 3 332.492 2.653 20 10 EFCDHN CC[C@H]1CCN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC000899100706 1109208098 /nfs/dbraw/zinc/20/80/98/1109208098.db2.gz BUZFNOAXXVZPFN-YJBOKZPZSA-N 0 3 332.492 2.797 20 10 EFCDHN C[C@@H]1CN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)C[C@H]1C ZINC000899100495 1109208240 /nfs/dbraw/zinc/20/82/40/1109208240.db2.gz AGHQPJBZKZVJNE-IIDMSEBBSA-N 0 3 332.492 2.653 20 10 EFCDHN C[C@@H](C1CC1)N(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899100839 1109208469 /nfs/dbraw/zinc/20/84/69/1109208469.db2.gz FDABQIXDZQHYSW-KSSFIOAISA-N 0 3 332.492 2.795 20 10 EFCDHN C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1ccc(N(C)C)cc1 ZINC000128497951 1109268700 /nfs/dbraw/zinc/26/87/00/1109268700.db2.gz CFNWGHNKRHQYPZ-AWEZNQCLSA-N 0 3 347.484 2.593 20 10 EFCDHN C[NH+]1CC2(C1)CCN(Cc1cc(F)cc(Br)c1[O-])CC2 ZINC001235305734 1111732774 /nfs/dbraw/zinc/73/27/74/1111732774.db2.gz PYUVKSPFJMIRLD-UHFFFAOYSA-N 0 3 343.240 2.821 20 10 EFCDHN CCCCN1C(=O)C[C@@]2(CCC[N@H+](Cc3ccccc3[O-])C2)C1=O ZINC001272618838 1111754291 /nfs/dbraw/zinc/75/42/91/1111754291.db2.gz PBXSVGWTJBDSAI-LJQANCHMSA-N 0 3 330.428 2.533 20 10 EFCDHN CCCCN1C(=O)C[C@@]2(CCC[N@@H+](Cc3ccccc3[O-])C2)C1=O ZINC001272618838 1111754294 /nfs/dbraw/zinc/75/42/94/1111754294.db2.gz PBXSVGWTJBDSAI-LJQANCHMSA-N 0 3 330.428 2.533 20 10 EFCDHN COCCCN1CC2(CCC1=O)CC[NH+](Cc1ccccc1[O-])CC2 ZINC001272619160 1111754381 /nfs/dbraw/zinc/75/43/81/1111754381.db2.gz RWMKNDGCDJKISM-UHFFFAOYSA-N 0 3 346.471 2.633 20 10 EFCDHN COCCCN1CC[C@@]2(CCC[N@H+](Cc3ccccc3[O-])CC2)C1=O ZINC001272619536 1111755364 /nfs/dbraw/zinc/75/53/64/1111755364.db2.gz WSQPMDNNSIXLMI-FQEVSTJZSA-N 0 3 346.471 2.633 20 10 EFCDHN COCCCN1CC[C@@]2(CCC[N@@H+](Cc3ccccc3[O-])CC2)C1=O ZINC001272619536 1111755366 /nfs/dbraw/zinc/75/53/66/1111755366.db2.gz WSQPMDNNSIXLMI-FQEVSTJZSA-N 0 3 346.471 2.633 20 10 EFCDHN CC(=O)[C@H](C)N1CC[C@]2(CCC[N@H+](Cc3ccccc3[O-])CC2)C1=O ZINC001272619740 1111755489 /nfs/dbraw/zinc/75/54/89/1111755489.db2.gz ZAZWOIRPLFRDGZ-MGPUTAFESA-N 0 3 344.455 2.574 20 10 EFCDHN CC(=O)[C@H](C)N1CC[C@]2(CCC[N@@H+](Cc3ccccc3[O-])CC2)C1=O ZINC001272619740 1111755493 /nfs/dbraw/zinc/75/54/93/1111755493.db2.gz ZAZWOIRPLFRDGZ-MGPUTAFESA-N 0 3 344.455 2.574 20 10 EFCDHN CC(=O)[C@@H](C)N1C[C@@]2(CC1=O)CCCCN2Cc1cc(C)ccc1O ZINC001272623137 1111761948 /nfs/dbraw/zinc/76/19/48/1111761948.db2.gz XPRCOJXJGLYXKH-QRWLVFNGSA-N 0 3 344.455 2.635 20 10 EFCDHN Cc1c(O)ccc(CN2CCC[C@@]23CCN(CC(C)C)C3=O)c1O ZINC001272659792 1111943829 /nfs/dbraw/zinc/94/38/29/1111943829.db2.gz FTOJAFIUGYUXLL-IBGZPJMESA-N 0 3 332.444 2.629 20 10 EFCDHN CCCCN1CC[C@@]2(CCCN2Cc2ccc(O)c(C)c2O)C1=O ZINC001272659938 1111945933 /nfs/dbraw/zinc/94/59/33/1111945933.db2.gz HVOMVPSFQQGRPL-IBGZPJMESA-N 0 3 332.444 2.773 20 10 EFCDHN CCC[C@@H]1C[NH2+]CCN1Cc1c([O-])cc(OC)cc1Br ZINC001236132740 1112168267 /nfs/dbraw/zinc/16/82/67/1112168267.db2.gz MYNNTNLVEODHKH-LLVKDONJSA-N 0 3 343.265 2.737 20 10 EFCDHN O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3cc(F)ccc3[O-])C2)nc1 ZINC000180178165 1112890772 /nfs/dbraw/zinc/89/07/72/1112890772.db2.gz PZPQWKVKPVATFJ-ZDUSSCGKSA-N 0 3 332.335 2.521 20 10 EFCDHN O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3cc(F)ccc3[O-])C2)nc1 ZINC000180178165 1112890773 /nfs/dbraw/zinc/89/07/73/1112890773.db2.gz PZPQWKVKPVATFJ-ZDUSSCGKSA-N 0 3 332.335 2.521 20 10 EFCDHN COc1ccc(-n2c(C)cc(C(=O)NC3CCN(C)CC3)c2C)cc1 ZINC000098081718 219080435 /nfs/dbraw/zinc/08/04/35/219080435.db2.gz QAEAZLDBNKMBTJ-UHFFFAOYSA-N 0 3 341.455 2.927 20 10 EFCDHN C[C@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)C1=CCN(C)CC1 ZINC000272759801 299165793 /nfs/dbraw/zinc/16/57/93/299165793.db2.gz OQZGLMODROAAKX-INIZCTEOSA-N 0 3 340.471 2.512 20 10 EFCDHN COC[C@@H](C)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000163415046 239105659 /nfs/dbraw/zinc/10/56/59/239105659.db2.gz USEJPWGLSAYAKB-GFCCVEGCSA-N 0 3 332.366 2.667 20 10 EFCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CCC[C@H]1CN1CCOCC1 ZINC000173371085 239188793 /nfs/dbraw/zinc/18/87/93/239188793.db2.gz IFJSLJOFBGSABT-KRWDZBQOSA-N 0 3 326.440 2.842 20 10 EFCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CCC[C@H]1CN1CCOCC1 ZINC000173371085 239188798 /nfs/dbraw/zinc/18/87/98/239188798.db2.gz IFJSLJOFBGSABT-KRWDZBQOSA-N 0 3 326.440 2.842 20 10 EFCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000172935495 239176715 /nfs/dbraw/zinc/17/67/15/239176715.db2.gz JLNPPQCQTQDAJL-MRXNPFEDSA-N 0 3 326.440 2.700 20 10 EFCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000172935495 239176717 /nfs/dbraw/zinc/17/67/17/239176717.db2.gz JLNPPQCQTQDAJL-MRXNPFEDSA-N 0 3 326.440 2.700 20 10 EFCDHN Cn1cncc1CN[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000174622464 239235802 /nfs/dbraw/zinc/23/58/02/239235802.db2.gz NLJZYQWLNCBFAJ-CYBMUJFWSA-N 0 3 336.386 2.780 20 10 EFCDHN Cn1cc(CN[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cn1 ZINC000174621678 239236051 /nfs/dbraw/zinc/23/60/51/239236051.db2.gz JCMSKFHAIUIOAQ-AWEZNQCLSA-N 0 3 336.386 2.780 20 10 EFCDHN Cc1cc(C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)c(C)n1-c1ccccn1 ZINC000177183968 239362356 /nfs/dbraw/zinc/36/23/56/239362356.db2.gz MSJVUTJOPOCVGY-CZUORRHYSA-N 0 3 338.455 2.844 20 10 EFCDHN C[C@H](O)[C@](C)(C[NH2+]Cc1cc2c(cc1[O-])OCO2)Cc1ccccc1 ZINC000191709343 240002208 /nfs/dbraw/zinc/00/22/08/240002208.db2.gz KLBIWXMWGHSFBY-XOBRGWDASA-N 0 3 343.423 2.840 20 10 EFCDHN C[C@H](O)[C@@](C)(C[NH2+]Cc1cc2c(cc1[O-])OCO2)Cc1ccccc1 ZINC000191709372 240002922 /nfs/dbraw/zinc/00/29/22/240002922.db2.gz KLBIWXMWGHSFBY-VBKZILBWSA-N 0 3 343.423 2.840 20 10 EFCDHN Cc1ccc(CN2CC[C@@H]([NH2+]Cc3cc(F)ccc3[O-])C2=O)cc1 ZINC000191808724 240009439 /nfs/dbraw/zinc/00/94/39/240009439.db2.gz CKZLICVJWFMKCU-QGZVFWFLSA-N 0 3 328.387 2.730 20 10 EFCDHN CCOc1cccc(CN[C@@](C)(CC(=O)OC)c2ccncc2)c1O ZINC000191905566 240010853 /nfs/dbraw/zinc/01/08/53/240010853.db2.gz ZLAIWDNEKDARED-IBGZPJMESA-N 0 3 344.411 2.754 20 10 EFCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2CCN(CC(F)(F)F)C2)c1 ZINC000193504465 240111010 /nfs/dbraw/zinc/11/10/10/240111010.db2.gz JLBBSRZFVFHAPW-RYUDHWBXSA-N 0 3 332.366 2.936 20 10 EFCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H]2CCN(CC(F)(F)F)C2)c1 ZINC000193504480 240112043 /nfs/dbraw/zinc/11/20/43/240112043.db2.gz JLBBSRZFVFHAPW-NEPJUHHUSA-N 0 3 332.366 2.936 20 10 EFCDHN CCN(Cc1cc(Br)ccc1[O-])C(=O)CC[C@@H](C)[NH3+] ZINC000193284916 240092597 /nfs/dbraw/zinc/09/25/97/240092597.db2.gz QIHVVECRGJCDIW-SNVBAGLBSA-N 0 3 329.238 2.631 20 10 EFCDHN CCN1CCN(c2ccc(CNC[C@H]3CCC=CO3)cc2F)CC1 ZINC000194399470 240153732 /nfs/dbraw/zinc/15/37/32/240153732.db2.gz VVKVDDSUNWVMQQ-QGZVFWFLSA-N 0 3 333.451 2.750 20 10 EFCDHN COc1ccc(O)c(CNCc2ccc(N3CCCC3=O)cc2)c1 ZINC000237361362 240244481 /nfs/dbraw/zinc/24/44/81/240244481.db2.gz MHZASWHYAQXOMQ-UHFFFAOYSA-N 0 3 326.396 2.817 20 10 EFCDHN COc1ccc([O-])c(C[NH2+]Cc2ccc(N3CCCC3=O)cc2)c1 ZINC000237361362 240244493 /nfs/dbraw/zinc/24/44/93/240244493.db2.gz MHZASWHYAQXOMQ-UHFFFAOYSA-N 0 3 326.396 2.817 20 10 EFCDHN COc1ccc([C@@H](C[NH2+]Cc2ccccc2[O-])N2CCOCC2)cc1 ZINC000237498744 240244517 /nfs/dbraw/zinc/24/45/17/240244517.db2.gz YXHBYRNZTKVZEU-LJQANCHMSA-N 0 3 342.439 2.564 20 10 EFCDHN C[C@@H]1C[C@@H](NC(=O)Cc2ccc(N)cc2)CCN1Cc1ccccc1 ZINC000237567897 240245632 /nfs/dbraw/zinc/24/56/32/240245632.db2.gz UHUAYPXFHPSREA-UZLBHIALSA-N 0 3 337.467 2.981 20 10 EFCDHN CCc1ccc([C@@H](CNC(=O)Cc2ccc(N)cc2)N(C)C)cc1 ZINC000236959197 240237315 /nfs/dbraw/zinc/23/73/15/240237315.db2.gz VXIZFQWUYTUXJY-LJQANCHMSA-N 0 3 325.456 2.793 20 10 EFCDHN COc1ccc([O-])c(C[NH2+][C@@H](CO)Cc2c[nH]c3ccccc23)c1 ZINC000271871326 240640520 /nfs/dbraw/zinc/64/05/20/240640520.db2.gz XTMCQUFWQRIHGF-OAHLLOKOSA-N 0 3 326.396 2.575 20 10 EFCDHN C[C@H]1[C@@H]([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CCS1(=O)=O ZINC000294063314 241031460 /nfs/dbraw/zinc/03/14/60/241031460.db2.gz XXUBEXWQTKZRSX-GUYCJALGSA-N 0 3 331.437 2.724 20 10 EFCDHN C[C@H]([NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)c1ccccc1[O-] ZINC000295970937 241068622 /nfs/dbraw/zinc/06/86/22/241068622.db2.gz NUXPZFKHYNSVLL-UONOGXRCSA-N 0 3 336.432 2.679 20 10 EFCDHN C[C@@H]([NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)CCO1)c1ccccc1[O-] ZINC000295970933 241069926 /nfs/dbraw/zinc/06/99/26/241069926.db2.gz NUXPZFKHYNSVLL-KGLIPLIRSA-N 0 3 336.432 2.679 20 10 EFCDHN CS(=O)(=O)Nc1ccc(C[NH2+][C@H]2CCc3cccc([O-])c32)cc1 ZINC000295944950 241070676 /nfs/dbraw/zinc/07/06/76/241070676.db2.gz LDOLVNRMOTUUKD-HNNXBMFYSA-N 0 3 332.425 2.541 20 10 EFCDHN COc1cc(C[NH2+][C@@H]2CCc3cccc([O-])c32)ccc1OCCO ZINC000296113827 241073455 /nfs/dbraw/zinc/07/34/55/241073455.db2.gz UWZHWXBNTIADLW-OAHLLOKOSA-N 0 3 329.396 2.549 20 10 EFCDHN [O-]c1cccc2c1[C@H]([NH2+]C1CCN([C@H]3CCCC[C@@H]3O)CC1)CC2 ZINC000296245754 241078373 /nfs/dbraw/zinc/07/83/73/241078373.db2.gz AYYQGYWWJRBPLI-SQNIBIBYSA-N 0 3 330.472 2.737 20 10 EFCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C2CCC(CS(C)(=O)=O)CC2)c1 ZINC000296631352 241092151 /nfs/dbraw/zinc/09/21/51/241092151.db2.gz BJEYDVFSDFGYBA-WLYUNCDWSA-N 0 3 325.474 2.955 20 10 EFCDHN C[C@@H]1CCNC(=O)[C@@H]1NCc1ccc(N(C)Cc2cccs2)cc1 ZINC000296638451 241095307 /nfs/dbraw/zinc/09/53/07/241095307.db2.gz CHNUNPARQJVJAU-RDTXWAMCSA-N 0 3 343.496 2.999 20 10 EFCDHN O=C1[C@@H]([NH2+][C@@H]2CCc3cccc([O-])c32)CCN1c1ccccc1F ZINC000297082974 241111472 /nfs/dbraw/zinc/11/14/72/241111472.db2.gz WWBVPYGQISRGOT-CABCVRRESA-N 0 3 326.371 2.914 20 10 EFCDHN O=C1[C@@H]([NH2+][C@H]2CCc3cccc([O-])c32)CCN1c1ccccc1F ZINC000297082978 241111679 /nfs/dbraw/zinc/11/16/79/241111679.db2.gz WWBVPYGQISRGOT-GJZGRUSLSA-N 0 3 326.371 2.914 20 10 EFCDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@H](N2CCOCC2)C(F)(F)F)c([O-])c1 ZINC000294262541 241038605 /nfs/dbraw/zinc/03/86/05/241038605.db2.gz LMFLFSWPIPCJTE-ZFWWWQNUSA-N 0 3 346.393 2.923 20 10 EFCDHN CCOC(=O)c1cnn(C2CC[NH+](Cc3cccc(C)c3[O-])CC2)c1 ZINC000294721955 241050516 /nfs/dbraw/zinc/05/05/16/241050516.db2.gz FOIWHENZIQGUMN-UHFFFAOYSA-N 0 3 343.427 2.911 20 10 EFCDHN COc1ccc(OC)c([C@@H](O)C[NH2+][C@H]2CCc3cccc([O-])c32)c1 ZINC000295776054 241061631 /nfs/dbraw/zinc/06/16/31/241061631.db2.gz APXGLVRPHFAVMJ-RDJZCZTQSA-N 0 3 329.396 2.720 20 10 EFCDHN COc1ccc(OC)c([C@H](O)C[NH2+][C@@H]2CCc3cccc([O-])c32)c1 ZINC000295776052 241062574 /nfs/dbraw/zinc/06/25/74/241062574.db2.gz APXGLVRPHFAVMJ-NVXWUHKLSA-N 0 3 329.396 2.720 20 10 EFCDHN CC(C)C[C@@H]1OCCC[C@@H]1NCC(=O)NCc1ccc(N(C)C)cc1 ZINC000299388055 241175106 /nfs/dbraw/zinc/17/51/06/241175106.db2.gz RIAAITKAMWEJJQ-OALUTQOASA-N 0 3 347.503 2.552 20 10 EFCDHN [O-]c1cccc2c1[C@@H]([NH2+]CCNc1nccc(C(F)(F)F)n1)CC2 ZINC000297744212 241132578 /nfs/dbraw/zinc/13/25/78/241132578.db2.gz OBPRJUJUAZFJGH-NSHDSACASA-N 0 3 338.333 2.890 20 10 EFCDHN Cc1cccc(C[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@H]3c3ccccc3)C2)c1[O-] ZINC000362042059 242240696 /nfs/dbraw/zinc/24/06/96/242240696.db2.gz SYZGMLOCHJASPA-CEXWTWQISA-N 0 3 336.435 2.947 20 10 EFCDHN Cc1cccc(CN[C@@H]2CC(=O)N([C@@H]3C[C@H]3c3ccccc3)C2)c1O ZINC000362042059 242240699 /nfs/dbraw/zinc/24/06/99/242240699.db2.gz SYZGMLOCHJASPA-CEXWTWQISA-N 0 3 336.435 2.947 20 10 EFCDHN COc1cc(Cl)cc(C[NH2+][C@H]2COc3ccccc3[C@H]2O)c1[O-] ZINC000367659755 242388178 /nfs/dbraw/zinc/38/81/78/242388178.db2.gz WUNQIXOBTJYHLS-SUMWQHHRSA-N 0 3 335.787 2.638 20 10 EFCDHN C[C@@H]([NH2+][C@@H](C)CN1CCN(C)CC1)c1cc2c(cc1[O-])CCCC2 ZINC000185392655 296146562 /nfs/dbraw/zinc/14/65/62/296146562.db2.gz FFIXQNQELFHQOX-JKSUJKDBSA-N 0 3 331.504 2.558 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)c2cccc(F)c2)N(C)C)cc1 ZINC000005097721 210389765 /nfs/dbraw/zinc/38/97/65/210389765.db2.gz AVRODSLYSRIMAQ-SFHVURJKSA-N 0 3 329.419 2.924 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)COc2ccccc2)N(C)C)cc1 ZINC000005097672 210389907 /nfs/dbraw/zinc/38/99/07/210389907.db2.gz SLGGTDDRUQEIQR-IBGZPJMESA-N 0 3 341.455 2.551 20 10 EFCDHN C[C@@H](C(=O)NCc1ccc(N(C)C)c(F)c1)[C@H](N)c1ccccc1 ZINC000166459189 533281953 /nfs/dbraw/zinc/28/19/53/533281953.db2.gz JVKNQUJAJGAHLO-ACJLOTCBSA-N 0 3 329.419 2.844 20 10 EFCDHN C[C@@H]([NH2+]Cc1cccnc1N1CCOCC1)c1cc(F)ccc1[O-] ZINC000184986641 287041606 /nfs/dbraw/zinc/04/16/06/287041606.db2.gz SEOVDFYHTFURLM-CYBMUJFWSA-N 0 3 331.391 2.614 20 10 EFCDHN C[C@@H](NC[C@H]1CN(C)CCN1C)c1ccc(N2CCCCCC2)cc1 ZINC000268908161 278355201 /nfs/dbraw/zinc/35/52/01/278355201.db2.gz MGMUQTUYROGGTM-NQIIRXRSSA-N 0 3 344.547 2.963 20 10 EFCDHN CC[C@H]([NH2+]C[C@@H](N1CCOCC1)C(F)(F)F)c1ccccc1[O-] ZINC000285859331 288044011 /nfs/dbraw/zinc/04/40/11/288044011.db2.gz ZOHXNJFZAHBLNR-DZGCQCFKSA-N 0 3 332.366 2.696 20 10 EFCDHN C[C@H](N[C@H]1CCCc2c1cnn2CCO)c1ccc(N(C)C)cc1 ZINC000324288014 279538559 /nfs/dbraw/zinc/53/85/59/279538559.db2.gz MPLZNJKHRDVFPQ-KSSFIOAISA-N 0 3 328.460 2.670 20 10 EFCDHN CN(C)c1ccc(CN[C@@H](CN2CCOCC2)c2ccccc2)cc1 ZINC000072953552 289408868 /nfs/dbraw/zinc/40/88/68/289408868.db2.gz KXCRKSFNXCAEAD-NRFANRHFSA-N 0 3 339.483 2.916 20 10 EFCDHN COc1cc([N+](=O)[O-])c(N2CCN(C3CCC3)C[C@@H](C)C2)cc1OC ZINC000292288023 295027135 /nfs/dbraw/zinc/02/71/35/295027135.db2.gz MVBBLGAGDYRYCR-CYBMUJFWSA-N 0 3 349.431 2.923 20 10 EFCDHN CCn1ccnc1[C@H]1OCCC[C@@H]1NCc1ccc(N(C)C)cc1 ZINC000190425972 473270317 /nfs/dbraw/zinc/27/03/17/473270317.db2.gz UHCSXRAGCOLYQY-ROUUACIJSA-N 0 3 328.460 2.979 20 10 EFCDHN C[C@H]([NH2+]Cc1ccnc(N2CCN(C)CC2)c1)c1ccc(F)cc1[O-] ZINC000185042024 473310120 /nfs/dbraw/zinc/31/01/20/473310120.db2.gz VBBZTALBESRCEL-AWEZNQCLSA-N 0 3 344.434 2.529 20 10 EFCDHN C[C@H]([NH2+]Cc1ccnc(N2CCN(C)CC2)c1)c1cc(F)ccc1[O-] ZINC000185042447 473310340 /nfs/dbraw/zinc/31/03/40/473310340.db2.gz GRMIIIRGLCSDRI-AWEZNQCLSA-N 0 3 344.434 2.529 20 10 EFCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCNC(=O)c2ccccc2F)c1 ZINC000185100065 473327407 /nfs/dbraw/zinc/32/74/07/473327407.db2.gz FSOBRFUDXLBVSB-GFCCVEGCSA-N 0 3 332.375 2.621 20 10 EFCDHN COc1ccc(O)c([C@@H](C)N[C@H]2CC(=O)N(c3ccccc3)C2)c1 ZINC000185164366 473347791 /nfs/dbraw/zinc/34/77/91/473347791.db2.gz LHUSUFSQHUVJQB-KGLIPLIRSA-N 0 3 326.396 2.857 20 10 EFCDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@H]2CC(=O)N(c3ccccc3)C2)c1 ZINC000185164366 473347797 /nfs/dbraw/zinc/34/77/97/473347797.db2.gz LHUSUFSQHUVJQB-KGLIPLIRSA-N 0 3 326.396 2.857 20 10 EFCDHN COc1cccc(C(=O)NCC[NH2+][C@@H](C)c2cc(F)ccc2[O-])c1 ZINC000185201752 473361827 /nfs/dbraw/zinc/36/18/27/473361827.db2.gz JPWBABAHNQHMHJ-LBPRGKRZSA-N 0 3 332.375 2.621 20 10 EFCDHN CC[C@H]([NH2+]Cc1ccc(N2CCN(C)CC2)nc1)c1ccccc1[O-] ZINC000185207519 473362207 /nfs/dbraw/zinc/36/22/07/473362207.db2.gz HNKUPORFZMENNH-SFHVURJKSA-N 0 3 340.471 2.780 20 10 EFCDHN COc1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)cc1 ZINC000005097650 471486754 /nfs/dbraw/zinc/48/67/54/471486754.db2.gz VSUILZIMXLRPFM-LJQANCHMSA-N 0 3 341.455 2.794 20 10 biogenic EFCDHN COc1ccc(N2CCN(CCCCCn3cccn3)CC2)cc1 ZINC000068455375 472194477 /nfs/dbraw/zinc/19/44/77/472194477.db2.gz SAUCYZHFABZPLO-UHFFFAOYSA-N 0 3 328.460 2.884 20 10 EFCDHN COc1cccc(CNC(=O)Nc2cccc(CN(C)C)c2)c1O ZINC000075956635 472227213 /nfs/dbraw/zinc/22/72/13/472227213.db2.gz SFSFTPCGNCSDAA-UHFFFAOYSA-N 0 3 329.400 2.784 20 10 EFCDHN C[C@@H](N[C@H]1CCN(CC(F)(F)F)C1=O)c1ccc(N(C)C)cc1 ZINC000089619099 472470868 /nfs/dbraw/zinc/47/08/68/472470868.db2.gz NDBPRYAHRJROPM-RISCZKNCSA-N 0 3 329.366 2.566 20 10 EFCDHN CCN(Cc1ccccc1)c1ccc(CNC[C@@H](O)COC)cc1 ZINC000117946983 472483930 /nfs/dbraw/zinc/48/39/30/472483930.db2.gz HKGYSRHRGLRHJM-HXUWFJFHSA-N 0 3 328.456 2.810 20 10 EFCDHN c1cnn(-c2ccccc2CNCc2ccc(N3CCOCC3)cc2)c1 ZINC000128921578 472510933 /nfs/dbraw/zinc/51/09/33/472510933.db2.gz XVOBGHKZUBVUEL-UHFFFAOYSA-N 0 3 348.450 2.999 20 10 EFCDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCN(CC)C1CC1 ZINC000102068292 472564723 /nfs/dbraw/zinc/56/47/23/472564723.db2.gz MIQHISBGSYWOPH-UHFFFAOYSA-N 0 3 332.492 2.768 20 10 EFCDHN CCN(CC)c1ccc(CN2CCN(C3CCOCC3)CC2)cc1 ZINC000129802090 472566919 /nfs/dbraw/zinc/56/69/19/472566919.db2.gz RSYMLKJPADKPOH-UHFFFAOYSA-N 0 3 331.504 2.829 20 10 EFCDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000129881325 472570400 /nfs/dbraw/zinc/57/04/00/472570400.db2.gz FPLLZXXWBVFYEF-DOTOQJQBSA-N 0 3 344.503 2.909 20 10 EFCDHN COc1ccc(CNC(=O)CN[C@@H](C)c2cc(C)ccc2O)cc1 ZINC000120024230 472618940 /nfs/dbraw/zinc/61/89/40/472618940.db2.gz NMMMYKMFEANDIQ-AWEZNQCLSA-N 0 3 328.412 2.676 20 10 EFCDHN [O-]c1cc2c(cc1C[NH2+]C1CCN(Cc3ccccc3)CC1)OCO2 ZINC000063255903 472761550 /nfs/dbraw/zinc/76/15/50/472761550.db2.gz OSMPNYTVOIWUFO-UHFFFAOYSA-N 0 3 340.423 2.875 20 10 EFCDHN Cc1noc(C2CCN(Cc3ccc(N4CCOCC4)cc3)CC2)n1 ZINC000091835149 472814210 /nfs/dbraw/zinc/81/42/10/472814210.db2.gz UGMIIJJGTOXKSC-UHFFFAOYSA-N 0 3 342.443 2.594 20 10 EFCDHN CN(C)c1ccc(CN2CCC(CC(=O)N3CCCC3)CC2)cc1 ZINC000092055465 472849479 /nfs/dbraw/zinc/84/94/79/472849479.db2.gz PVNHQMJHINHQTO-UHFFFAOYSA-N 0 3 329.488 2.977 20 10 EFCDHN [O-]c1ccc(Br)cc1CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000133952891 472859118 /nfs/dbraw/zinc/85/91/18/472859118.db2.gz XGTDRNLDUDZOKE-CQSZACIVSA-N 0 3 325.250 2.825 20 10 EFCDHN CCN1CCN([C@H]2CC[N@H+](Cc3c([O-])ccc4ccccc43)C2)CC1 ZINC000106854743 472898515 /nfs/dbraw/zinc/89/85/15/472898515.db2.gz MGQCUCITKHUFBN-SFHVURJKSA-N 0 3 339.483 2.757 20 10 EFCDHN CCN1CCN([C@H]2CC[N@@H+](Cc3c([O-])ccc4ccccc43)C2)CC1 ZINC000106854743 472898521 /nfs/dbraw/zinc/89/85/21/472898521.db2.gz MGQCUCITKHUFBN-SFHVURJKSA-N 0 3 339.483 2.757 20 10 EFCDHN CCOc1ccc(O)c(CN2CC[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000092455476 472916066 /nfs/dbraw/zinc/91/60/66/472916066.db2.gz IUDAPOCZHNCXOG-AWEZNQCLSA-N 0 3 336.432 2.890 20 10 EFCDHN CCCOc1ccc(C[N@@H+]2CCC[C@@H](CN3CCOCC3)C2)c([O-])c1 ZINC000093017907 473027751 /nfs/dbraw/zinc/02/77/51/473027751.db2.gz KWTDBZQKCNGZPL-KRWDZBQOSA-N 0 3 348.487 2.725 20 10 EFCDHN CCCOc1ccc(C[N@H+]2CCC[C@@H](CN3CCOCC3)C2)c([O-])c1 ZINC000093017907 473027756 /nfs/dbraw/zinc/02/77/56/473027756.db2.gz KWTDBZQKCNGZPL-KRWDZBQOSA-N 0 3 348.487 2.725 20 10 EFCDHN CCCOc1ccc(C[N@@H+]2CCC[C@H](CN3CCOCC3)C2)c([O-])c1 ZINC000093017905 473028842 /nfs/dbraw/zinc/02/88/42/473028842.db2.gz KWTDBZQKCNGZPL-QGZVFWFLSA-N 0 3 348.487 2.725 20 10 EFCDHN CCCOc1ccc(C[N@H+]2CCC[C@H](CN3CCOCC3)C2)c([O-])c1 ZINC000093017905 473028847 /nfs/dbraw/zinc/02/88/47/473028847.db2.gz KWTDBZQKCNGZPL-QGZVFWFLSA-N 0 3 348.487 2.725 20 10 EFCDHN CN(C)c1ccc(CN2CCC[C@H](c3nnc4n3CCC4)C2)cc1 ZINC000093133795 473048968 /nfs/dbraw/zinc/04/89/68/473048968.db2.gz CPWQKJAUXLORFL-INIZCTEOSA-N 0 3 325.460 2.670 20 10 EFCDHN COc1cc(O)c(CN2CC[C@H](C)[C@@H](n3ccnc3)C2)cc1OC ZINC000160405114 473118283 /nfs/dbraw/zinc/11/82/83/473118283.db2.gz YKMGAMGEDFMODZ-ZFWWWQNUSA-N 0 3 331.416 2.689 20 10 EFCDHN COc1cc([O-])c(C[N@@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)cc1OC ZINC000160405114 473118292 /nfs/dbraw/zinc/11/82/92/473118292.db2.gz YKMGAMGEDFMODZ-ZFWWWQNUSA-N 0 3 331.416 2.689 20 10 EFCDHN COc1cc([O-])c(C[N@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)cc1OC ZINC000160405114 473118296 /nfs/dbraw/zinc/11/82/96/473118296.db2.gz YKMGAMGEDFMODZ-ZFWWWQNUSA-N 0 3 331.416 2.689 20 10 EFCDHN CCCOc1ccc(C[NH+]2CCC3(CC2)[C@H](OCC)C[C@@H]3O)c([O-])c1 ZINC000093614096 473126439 /nfs/dbraw/zinc/12/64/39/473126439.db2.gz GWFMTDQIGWKVBV-RBUKOAKNSA-N 0 3 349.471 2.933 20 10 EFCDHN CCOc1ccc([O-])c(C[NH+]2CCC3(CC2)[C@H](O)C[C@@H]3OCC)c1 ZINC000093614225 473126704 /nfs/dbraw/zinc/12/67/04/473126704.db2.gz YQQPMBRZKFPDRA-MSOLQXFVSA-N 0 3 335.444 2.543 20 10 EFCDHN CCN(CC)c1ccc(CN2CCC(N3CCCNC3=O)CC2)cc1 ZINC000093669582 473133175 /nfs/dbraw/zinc/13/31/75/473133175.db2.gz QUPCQTIKAGYXMS-UHFFFAOYSA-N 0 3 344.503 2.913 20 10 EFCDHN CCN(Cc1cc(Br)ccc1O)C(=O)CN(C)C(C)C ZINC000075416818 473184380 /nfs/dbraw/zinc/18/43/80/473184380.db2.gz SLNCRQRLWDHDNZ-UHFFFAOYSA-N 0 3 343.265 2.843 20 10 EFCDHN C[C@@H](C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-])N1CCN(C)CC1 ZINC000185364504 473407102 /nfs/dbraw/zinc/40/71/02/473407102.db2.gz AIVOLFJFRGBWGR-HOTGVXAUSA-N 0 3 327.472 2.832 20 10 EFCDHN C[C@H]([NH2+]C[C@@H](O)COc1ccc(F)c(F)c1)c1cc(F)ccc1[O-] ZINC000185375397 473409206 /nfs/dbraw/zinc/40/92/06/473409206.db2.gz QHWZONQKUBQFLZ-CMPLNLGQSA-N 0 3 341.329 2.900 20 10 EFCDHN COCCN(C)c1ccc(CNCc2ccc(N(C)C)c(F)c2)cn1 ZINC000190907394 473424897 /nfs/dbraw/zinc/42/48/97/473424897.db2.gz FAVMVRUBPMBGMR-UHFFFAOYSA-N 0 3 346.450 2.659 20 10 EFCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCc2cccc(C(=O)N(C)C)c2)c1 ZINC000185547260 473454200 /nfs/dbraw/zinc/45/42/00/473454200.db2.gz JWSKIYGXOOXNKW-CQSZACIVSA-N 0 3 342.439 2.996 20 10 EFCDHN CC[C@@H](NCc1ccc(N2CCC(CO)CC2)cc1)c1cnn(C)c1 ZINC000151559556 473472397 /nfs/dbraw/zinc/47/23/97/473472397.db2.gz MBLDGVBGPNNDSN-HXUWFJFHSA-N 0 3 342.487 2.870 20 10 EFCDHN COc1cccc(C[NH2+]C2CCC(O)(c3cccnc3)CC2)c1[O-] ZINC000185693710 473489622 /nfs/dbraw/zinc/48/96/22/473489622.db2.gz PQUCQGLKDVPPFV-UHFFFAOYSA-N 0 3 328.412 2.716 20 10 EFCDHN CCN1CCN(CCCC[NH2+][C@H](C)c2ccc(F)c(F)c2[O-])CC1 ZINC000191202331 473505956 /nfs/dbraw/zinc/50/59/56/473505956.db2.gz OIQZZOMZEPGCBT-CQSZACIVSA-N 0 3 341.446 2.739 20 10 EFCDHN CCOC(=O)N1CC[C@H](NCc2ccc(N3CCCCC3)cc2)C1 ZINC000185773441 473511096 /nfs/dbraw/zinc/51/10/96/473511096.db2.gz QQQFPLZRRQFELO-KRWDZBQOSA-N 0 3 331.460 2.997 20 10 EFCDHN Cc1nn(C)cc1[C@@H](C)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000178538118 473529128 /nfs/dbraw/zinc/52/91/28/473529128.db2.gz ZGIVTTHVHDFOKB-OAHLLOKOSA-N 0 3 342.487 2.788 20 10 EFCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCCN(CC(F)(F)F)C2=O)c([O-])c1 ZINC000186144440 473599812 /nfs/dbraw/zinc/59/98/12/473599812.db2.gz JEMFGOBVJARRPF-WCQYABFASA-N 0 3 330.350 2.905 20 10 EFCDHN CN(C[C@@H]1CCCN(C)C1)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000115813657 473606801 /nfs/dbraw/zinc/60/68/01/473606801.db2.gz SYEFLQUYGMFXDJ-QGZVFWFLSA-N 0 3 344.503 2.552 20 10 EFCDHN C[C@@H]1C[C@H](NC(=O)NCc2c(O)ccc3c2CCCC3)CN1C1CC1 ZINC000127564330 473626758 /nfs/dbraw/zinc/62/67/58/473626758.db2.gz OMQYQJCCZBMWKW-HIFRSBDPSA-N 0 3 343.471 2.695 20 10 EFCDHN O=C(NC1CCCCC1)NC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000179563227 473695174 /nfs/dbraw/zinc/69/51/74/473695174.db2.gz RPAUKNGDJXDWHI-UHFFFAOYSA-N 0 3 331.460 2.989 20 10 EFCDHN COc1cccc(C[N@@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c1[O-] ZINC000179740577 473717476 /nfs/dbraw/zinc/71/74/76/473717476.db2.gz SMUOZBXMTGVMKB-ZDUSSCGKSA-N 0 3 336.432 2.747 20 10 EFCDHN COc1cccc(C[N@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c1[O-] ZINC000179740577 473717485 /nfs/dbraw/zinc/71/74/85/473717485.db2.gz SMUOZBXMTGVMKB-ZDUSSCGKSA-N 0 3 336.432 2.747 20 10 EFCDHN COc1cccc(CN(C)Cc2ccccc2N2CCOCC2)c1O ZINC000179762776 473721944 /nfs/dbraw/zinc/72/19/44/473721944.db2.gz QCYHWYSGNZJBDU-UHFFFAOYSA-N 0 3 342.439 2.869 20 10 EFCDHN CCCNC(=O)C1CC[NH+](Cc2ccc(OCCC)cc2[O-])CC1 ZINC000179922535 473756295 /nfs/dbraw/zinc/75/62/95/473756295.db2.gz NEWQDCWUVCTOCR-UHFFFAOYSA-N 0 3 334.460 2.919 20 10 EFCDHN CC(=O)NCCC[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-] ZINC000186962296 473788732 /nfs/dbraw/zinc/78/87/32/473788732.db2.gz OFQSGZKJNXGFDK-JTQLQIEISA-N 0 3 329.238 2.640 20 10 EFCDHN COCCOCC[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-] ZINC000187060166 473810836 /nfs/dbraw/zinc/81/08/36/473810836.db2.gz VKWTXJMHEUBKIB-LLVKDONJSA-N 0 3 332.238 2.777 20 10 EFCDHN COCCOCC[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-] ZINC000187060177 473811063 /nfs/dbraw/zinc/81/10/63/473811063.db2.gz VKWTXJMHEUBKIB-NSHDSACASA-N 0 3 332.238 2.777 20 10 EFCDHN COC[C@H](O)CC[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-] ZINC000187412716 473869464 /nfs/dbraw/zinc/86/94/64/473869464.db2.gz GHHFHCZUIRRHCF-CMPLNLGQSA-N 0 3 332.238 2.511 20 10 EFCDHN CCN1CCN(C[C@H](C)C[NH2+][C@H](C)c2ccc(F)c(F)c2[O-])CC1 ZINC000187699015 473905769 /nfs/dbraw/zinc/90/57/69/473905769.db2.gz HZTRRDNPBHLCNL-ZIAGYGMSSA-N 0 3 341.446 2.595 20 10 EFCDHN Cc1ccc([C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2)N(C)C)cc1 ZINC000180714272 473949285 /nfs/dbraw/zinc/94/92/85/473949285.db2.gz IEJNURDOGUWFEQ-ZBZNSMLMSA-N 0 3 340.423 2.839 20 10 EFCDHN Cc1ccc(CN(CCN(C)C)C(=O)/C=C/c2ccc(O)c(O)c2)o1 ZINC000180718926 473950054 /nfs/dbraw/zinc/95/00/54/473950054.db2.gz KAWKGSLXZJHUKS-RMKNXTFCSA-N 0 3 344.411 2.603 20 10 EFCDHN Cc1cccc(CNCCS(=O)(=O)c2ccc(Cl)cc2)c1O ZINC000181030321 473999317 /nfs/dbraw/zinc/99/93/17/473999317.db2.gz KVKGGTBPLIKYCJ-UHFFFAOYSA-N 0 3 339.844 2.918 20 10 EFCDHN COc1ccc([O-])c(C[NH2+]CC2(N3CCCCC3)CCOCC2)c1 ZINC000181208745 474017644 /nfs/dbraw/zinc/01/76/44/474017644.db2.gz UITLYEZDSXOPFT-UHFFFAOYSA-N 0 3 334.460 2.526 20 10 EFCDHN [O-]c1ccc(F)cc1C[NH+]1CCC(c2nnc3n2CCCC3)CC1 ZINC000274965440 474024019 /nfs/dbraw/zinc/02/40/19/474024019.db2.gz VFCVJLOBNFPJHP-UHFFFAOYSA-N 0 3 330.407 2.839 20 10 EFCDHN CCOC(=O)C[C@@](C)([NH2+]Cc1cc(OC)c(OC)cc1[O-])C(C)C ZINC000274992974 474033808 /nfs/dbraw/zinc/03/38/08/474033808.db2.gz ZMKRORUQHGZIDZ-GOSISDBHSA-N 0 3 339.432 2.867 20 10 EFCDHN Cc1cc(C)n(CC[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)n1 ZINC000264612031 474058758 /nfs/dbraw/zinc/05/87/58/474058758.db2.gz NZXZBBQMFZNYEP-GOSISDBHSA-N 0 3 329.444 2.887 20 10 EFCDHN Cc1cc(C)n(CC[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)n1 ZINC000264612031 474058759 /nfs/dbraw/zinc/05/87/59/474058759.db2.gz NZXZBBQMFZNYEP-GOSISDBHSA-N 0 3 329.444 2.887 20 10 EFCDHN CCCC[N@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)NC[C@H]1CCCO1 ZINC000282445794 474068795 /nfs/dbraw/zinc/06/87/95/474068795.db2.gz LIRNGQLMDACPLJ-DOTOQJQBSA-N 0 3 334.460 2.678 20 10 EFCDHN CCCC[N@@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)NC[C@H]1CCCO1 ZINC000282445794 474068797 /nfs/dbraw/zinc/06/87/97/474068797.db2.gz LIRNGQLMDACPLJ-DOTOQJQBSA-N 0 3 334.460 2.678 20 10 EFCDHN C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1cc(Cl)ccc1[O-] ZINC000282507618 474091825 /nfs/dbraw/zinc/09/18/25/474091825.db2.gz YOXMATNNFPABKY-CYBMUJFWSA-N 0 3 325.884 2.722 20 10 EFCDHN COc1ccc(O)c(CNC[C@@](O)(c2ccccc2)C(F)(F)F)c1 ZINC000182119647 474103976 /nfs/dbraw/zinc/10/39/76/474103976.db2.gz VXBPKCFGXCQTCE-MRXNPFEDSA-N 0 3 341.329 2.941 20 10 EFCDHN C[C@@H](CNC(=O)NCc1ccccc1O)N(C)Cc1ccccc1 ZINC000264803710 474133199 /nfs/dbraw/zinc/13/31/99/474133199.db2.gz UPEBAWIXASKELC-HNNXBMFYSA-N 0 3 327.428 2.712 20 10 EFCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@H](O)COc2cccc(C)c2)c1 ZINC000182340234 474153458 /nfs/dbraw/zinc/15/34/58/474153458.db2.gz PDJGEKBXYNJKKO-CABCVRRESA-N 0 3 331.412 2.800 20 10 EFCDHN CCO[C@H]1C[C@@](CO)([NH2+]Cc2cc(Cl)cc(OC)c2[O-])C1(C)C ZINC000188902729 474229599 /nfs/dbraw/zinc/22/95/99/474229599.db2.gz GVSILTIGFTZQFU-YOEHRIQHSA-N 0 3 343.851 2.710 20 10 EFCDHN COc1ccc(O)c(CN[C@@H]2CC(=O)N(c3c(F)cccc3F)C2)c1 ZINC000182679855 474230837 /nfs/dbraw/zinc/23/08/37/474230837.db2.gz HUDOCJSMBMLKHK-GFCCVEGCSA-N 0 3 348.349 2.574 20 10 EFCDHN Cc1cccc(CN[C@H]2CC(=O)N(c3c(F)cccc3F)C2)c1O ZINC000182679749 474231652 /nfs/dbraw/zinc/23/16/52/474231652.db2.gz XKJIELVLNODEKG-ZDUSSCGKSA-N 0 3 332.350 2.874 20 10 EFCDHN CCc1ccc([C@H](O)C[NH2+]Cc2cc(OC)c(OC)cc2[O-])cc1 ZINC000289347268 474231743 /nfs/dbraw/zinc/23/17/43/474231743.db2.gz IQGXUXYDKIQZKW-QGZVFWFLSA-N 0 3 331.412 2.795 20 10 EFCDHN Cc1cccc(C[NH2+][C@H]2CC(=O)N(c3c(F)cccc3F)C2)c1[O-] ZINC000182679749 474231657 /nfs/dbraw/zinc/23/16/57/474231657.db2.gz XKJIELVLNODEKG-ZDUSSCGKSA-N 0 3 332.350 2.874 20 10 EFCDHN CN(C)CCc1ccccc1NC(=O)NCCc1ccc(O)c(O)c1 ZINC000275671565 474275402 /nfs/dbraw/zinc/27/54/02/474275402.db2.gz PEUUUZQHBDJSFS-UHFFFAOYSA-N 0 3 343.427 2.566 20 10 EFCDHN COc1cccc(C[NH2+]C2CCN(C(=O)OCC(C)C)CC2)c1[O-] ZINC000289512160 474303502 /nfs/dbraw/zinc/30/35/02/474303502.db2.gz UUWFPDLGAZVMOI-UHFFFAOYSA-N 0 3 336.432 2.747 20 10 EFCDHN COc1cc(O)c(CN(CCN(C)C)Cc2ccc(C)o2)cc1OC ZINC000289552730 474319429 /nfs/dbraw/zinc/31/94/29/474319429.db2.gz XUSAOSKJFAOVKI-UHFFFAOYSA-N 0 3 348.443 2.875 20 10 EFCDHN C[C@@H]1C[C@H](N2CCOCC2)CN1Cc1ccc(N2CCCCC2)cc1 ZINC000289591412 474336327 /nfs/dbraw/zinc/33/63/27/474336327.db2.gz KLSSOHRVOAKAAG-NQIIRXRSSA-N 0 3 343.515 2.972 20 10 EFCDHN CC[C@@H]([NH2+][C@@H]1CCCN(CC(F)(F)F)C1=O)c1ccccc1[O-] ZINC000183342137 474373665 /nfs/dbraw/zinc/37/36/65/474373665.db2.gz JXMITYHHLFOCKU-CHWSQXEVSA-N 0 3 330.350 2.986 20 10 EFCDHN CC[C@@H]([NH2+][C@H]1CCCN(CC(F)(F)F)C1=O)c1ccccc1[O-] ZINC000183342167 474374018 /nfs/dbraw/zinc/37/40/18/474374018.db2.gz JXMITYHHLFOCKU-OLZOCXBDSA-N 0 3 330.350 2.986 20 10 EFCDHN CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H](C)c2ccccc2[O-])cc1 ZINC000183443431 474381364 /nfs/dbraw/zinc/38/13/64/474381364.db2.gz JEYURGYOVDPORE-OLZOCXBDSA-N 0 3 334.441 2.712 20 10 EFCDHN COc1ccc(CN2CC[C@@H]([NH2+][C@H](C)c3ccccc3[O-])C2=O)cc1 ZINC000183606367 474399135 /nfs/dbraw/zinc/39/91/35/474399135.db2.gz WHKWLRYCKNWNIW-RDTXWAMCSA-N 0 3 340.423 2.853 20 10 EFCDHN COc1cccc(CN2CCN(CCc3cccs3)CC2)c1O ZINC000271084916 474401486 /nfs/dbraw/zinc/40/14/86/474401486.db2.gz SPZNPVOUOQQZBA-UHFFFAOYSA-N 0 3 332.469 2.823 20 10 EFCDHN CN(CCn1ccc([N+](=O)[O-])n1)Cc1ccc(N2CCCCC2)cc1 ZINC000176198443 474406769 /nfs/dbraw/zinc/40/67/69/474406769.db2.gz YFGLMHYWQHCEGD-UHFFFAOYSA-N 0 3 343.431 2.914 20 10 EFCDHN COc1cc(N2CCN(CCCSC)CC2)cc(OC)c1OC ZINC000183700779 474415389 /nfs/dbraw/zinc/41/53/89/474415389.db2.gz IRMZRLITGRARCG-UHFFFAOYSA-N 0 3 340.489 2.588 20 10 EFCDHN CCOc1cccc(C[NH2+]C2CCN(c3cc(C)[nH]n3)CC2)c1[O-] ZINC000276104922 474418858 /nfs/dbraw/zinc/41/88/58/474418858.db2.gz WWHUBXFWXSVUFN-UHFFFAOYSA-N 0 3 330.432 2.581 20 10 EFCDHN CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NCc1ccc2c(c1)CCO2 ZINC000266132390 474420032 /nfs/dbraw/zinc/42/00/32/474420032.db2.gz DFTUGEZULYGLCX-IBGZPJMESA-N 0 3 349.434 2.550 20 10 EFCDHN CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1cc(C)ccc1[O-] ZINC000266121820 474420574 /nfs/dbraw/zinc/42/05/74/474420574.db2.gz AAJVCBNUYSDTSS-SFHVURJKSA-N 0 3 337.423 2.629 20 10 EFCDHN O=C(Nc1ccc(O)cc1)C1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000271256366 474460909 /nfs/dbraw/zinc/46/09/09/474460909.db2.gz HAMVLHULSAJBBY-UHFFFAOYSA-N 0 3 326.396 2.949 20 10 EFCDHN COc1ccc([C@H](CN(C)C)NCc2cccc(OC)c2O)cc1 ZINC000283818103 474503697 /nfs/dbraw/zinc/50/36/97/474503697.db2.gz CLQZAHFDHCWIMB-KRWDZBQOSA-N 0 3 330.428 2.802 20 10 EFCDHN Cc1cccc(C[NH2+][C@H]2CN(Cc3ccccc3)CC[C@H]2CO)c1[O-] ZINC000290316480 474565707 /nfs/dbraw/zinc/56/57/07/474565707.db2.gz CPHCOJMHAUEFKQ-PMACEKPBSA-N 0 3 340.467 2.673 20 10 EFCDHN [O-]c1ccc(F)cc1C[NH2+][C@H]1CN(Cc2ccccc2)CC[C@H]1CO ZINC000290390687 474569882 /nfs/dbraw/zinc/56/98/82/474569882.db2.gz ITZVPTIHHAUIKR-LPHOPBHVSA-N 0 3 344.430 2.504 20 10 EFCDHN COc1cc([O-])c(C[NH2+]CC[C@@](C)(O)c2ccccc2)cc1OC ZINC000190274174 474572337 /nfs/dbraw/zinc/57/23/37/474572337.db2.gz BGLFRVQDIPTWLS-LJQANCHMSA-N 0 3 331.412 2.797 20 10 EFCDHN O=C1CCCN1[C@H]1CCN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC000276818102 474572409 /nfs/dbraw/zinc/57/24/09/474572409.db2.gz OZWQXWNWRADNCT-IBGZPJMESA-N 0 3 327.472 2.874 20 10 EFCDHN CC[C@@H]([NH2+]C[C@H](O)COc1ccc2c(c1)OCO2)c1ccccc1[O-] ZINC000271729426 474587965 /nfs/dbraw/zinc/58/79/65/474587965.db2.gz SBWBHIQJPLQRPW-XJKSGUPXSA-N 0 3 345.395 2.602 20 10 EFCDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](Cn3ccnn3)C2)c1[O-] ZINC000184703493 474590010 /nfs/dbraw/zinc/59/00/10/474590010.db2.gz VBNHXUAXDMRNCX-LBPRGKRZSA-N 0 3 336.823 2.558 20 10 EFCDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@H](Cn3ccnn3)C2)c1[O-] ZINC000184703493 474590015 /nfs/dbraw/zinc/59/00/15/474590015.db2.gz VBNHXUAXDMRNCX-LBPRGKRZSA-N 0 3 336.823 2.558 20 10 EFCDHN COc1cc(CN(C)Cc2cc(OC)c(OC)cc2O)ccc1O ZINC000271843322 474595712 /nfs/dbraw/zinc/59/57/12/474595712.db2.gz UDUKMEWCDFDBBM-UHFFFAOYSA-N 0 3 333.384 2.756 20 10 EFCDHN COc1cc(O)c(CN[C@@H](C)c2ccc([S@@](C)=O)cc2)cc1OC ZINC000271864943 474596843 /nfs/dbraw/zinc/59/68/43/474596843.db2.gz WACRGBMRCIPHKG-FNODVLLQSA-N 0 3 349.452 2.998 20 10 EFCDHN CCN(CC)c1ccc(CNC(=O)NCC2=CCN(C)CC2)cc1F ZINC000272115518 474602257 /nfs/dbraw/zinc/60/22/57/474602257.db2.gz RPWZPLDDRDJYPE-UHFFFAOYSA-N 0 3 348.466 2.733 20 10 EFCDHN COc1c([O-])c(CN(C)CC[C@H]2CCCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000278202714 474604071 /nfs/dbraw/zinc/60/40/71/474604071.db2.gz JIWJMPPAMCSUEL-CQSZACIVSA-N 0 3 337.420 2.615 20 10 EFCDHN COc1c([O-])c(CN(C)CC[C@H]2CCCC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000278202714 474604075 /nfs/dbraw/zinc/60/40/75/474604075.db2.gz JIWJMPPAMCSUEL-CQSZACIVSA-N 0 3 337.420 2.615 20 10 EFCDHN COc1c([O-])c(C[N@H+](C)CC[C@H]2CCCCN2C)ccc1[N+](=O)[O-] ZINC000278202714 474604076 /nfs/dbraw/zinc/60/40/76/474604076.db2.gz JIWJMPPAMCSUEL-CQSZACIVSA-N 0 3 337.420 2.615 20 10 EFCDHN COc1c([O-])c(C[N@@H+](C)CC[C@H]2CCCCN2C)ccc1[N+](=O)[O-] ZINC000278202714 474604079 /nfs/dbraw/zinc/60/40/79/474604079.db2.gz JIWJMPPAMCSUEL-CQSZACIVSA-N 0 3 337.420 2.615 20 10 EFCDHN COC[C@]1(C[NH2+]Cc2cccc(C)c2[O-])OCCc2ccccc21 ZINC000291476231 474604563 /nfs/dbraw/zinc/60/45/63/474604563.db2.gz FIFIDPVUNWRWPY-FQEVSTJZSA-N 0 3 327.424 2.905 20 10 EFCDHN [O-]c1cc2c(cc1C[N@@H+](Cc1ccccc1)[C@@H](CO)C1CC1)OCO2 ZINC000184786562 474607942 /nfs/dbraw/zinc/60/79/42/474607942.db2.gz SRDKTWSCNOERAI-KRWDZBQOSA-N 0 3 341.407 2.894 20 10 EFCDHN [O-]c1cc2c(cc1C[N@H+](Cc1ccccc1)[C@@H](CO)C1CC1)OCO2 ZINC000184786562 474607948 /nfs/dbraw/zinc/60/79/48/474607948.db2.gz SRDKTWSCNOERAI-KRWDZBQOSA-N 0 3 341.407 2.894 20 10 EFCDHN C[C@@H]1CN(CC2CC[NH+](Cc3cccc(F)c3[O-])CC2)C[C@H](C)O1 ZINC000272312905 474608660 /nfs/dbraw/zinc/60/86/60/474608660.db2.gz SALGQLYBCVUVOC-GASCZTMLSA-N 0 3 336.451 2.853 20 10 EFCDHN Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H](C(C)C)N2CCN(C)CC2)c([O-])c1 ZINC000284279393 474609068 /nfs/dbraw/zinc/60/90/68/474609068.db2.gz XHNXNCSDKMMCCQ-MSOLQXFVSA-N 0 3 333.520 2.932 20 10 EFCDHN CCN(CC)c1ccc(CNC(=O)N2CC[C@@H]3CCN(C)C[C@H]32)cc1 ZINC000272440358 474612377 /nfs/dbraw/zinc/61/23/77/474612377.db2.gz KZCFLXMQZNTXBH-PKOBYXMFSA-N 0 3 344.503 2.768 20 10 EFCDHN CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000272793706 474625415 /nfs/dbraw/zinc/62/54/15/474625415.db2.gz AAIWRRFWPBZHBJ-UGSOOPFHSA-N 0 3 337.423 2.881 20 10 EFCDHN COc1cc(O)c(CN2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)cc1OC ZINC000278438563 474644380 /nfs/dbraw/zinc/64/43/80/474644380.db2.gz VILXSHYYANXJLP-MEBBXXQBSA-N 0 3 349.349 2.545 20 10 EFCDHN [O-]c1cc2c(cc1C[NH2+][C@H]1CCN(c3ccccc3F)C1)OCO2 ZINC000291745224 474666447 /nfs/dbraw/zinc/66/64/47/474666447.db2.gz PMKVRTPAKGLBAW-ZDUSSCGKSA-N 0 3 330.359 2.629 20 10 EFCDHN COc1c([O-])c(CNC2CC[NH+](C3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000278538277 474689436 /nfs/dbraw/zinc/68/94/36/474689436.db2.gz WTAOITKJOJPLMC-UHFFFAOYSA-N 0 3 349.431 2.806 20 10 EFCDHN COc1c([O-])c(C[NH2+]C2CCN(C3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000278538277 474689442 /nfs/dbraw/zinc/68/94/42/474689442.db2.gz WTAOITKJOJPLMC-UHFFFAOYSA-N 0 3 349.431 2.806 20 10 EFCDHN CCCOc1ccc(C[NH2+]Cc2ccc(NC(C)=O)nc2)c([O-])c1 ZINC000278694879 474781271 /nfs/dbraw/zinc/78/12/71/474781271.db2.gz QHNAPQORPAOSKO-UHFFFAOYSA-N 0 3 329.400 2.824 20 10 EFCDHN C[C@@H]1C[C@@H](NC(=O)NCc2ccccc2O)CN1Cc1ccccc1 ZINC000268119846 474809509 /nfs/dbraw/zinc/80/95/09/474809509.db2.gz MCAGSICWWIKHRW-CRAIPNDOSA-N 0 3 339.439 2.854 20 10 EFCDHN Cc1cc(N2CC[C@H](N[C@@H](C)c3ccc(C)c(C)c3O)C2=O)n(C)n1 ZINC000273349488 474853043 /nfs/dbraw/zinc/85/30/43/474853043.db2.gz BLJIEXIHULRGBJ-HOCLYGCPSA-N 0 3 342.443 2.507 20 10 EFCDHN COc1cc(C[NH2+][C@H](C)c2cc(C)ccc2[O-])ccc1OCCO ZINC000273387172 474873370 /nfs/dbraw/zinc/87/33/70/474873370.db2.gz JWZBMOAIIFPQBB-CQSZACIVSA-N 0 3 331.412 2.931 20 10 EFCDHN COc1ccc(O)c([C@@H](C)NCc2ccc(OCCO)c(OC)c2)c1 ZINC000273387152 474873505 /nfs/dbraw/zinc/87/35/05/474873505.db2.gz JWFVXPGYGJRNDN-CYBMUJFWSA-N 0 3 347.411 2.631 20 10 EFCDHN COc1ccc([O-])c([C@@H](C)[NH2+]Cc2ccc(OCCO)c(OC)c2)c1 ZINC000273387152 474873510 /nfs/dbraw/zinc/87/35/10/474873510.db2.gz JWFVXPGYGJRNDN-CYBMUJFWSA-N 0 3 347.411 2.631 20 10 EFCDHN COc1ccc(O)c([C@H](C)NCc2ccc(OCCO)c(OC)c2)c1 ZINC000273387155 474873773 /nfs/dbraw/zinc/87/37/73/474873773.db2.gz JWFVXPGYGJRNDN-ZDUSSCGKSA-N 0 3 347.411 2.631 20 10 EFCDHN COc1ccc([O-])c([C@H](C)[NH2+]Cc2ccc(OCCO)c(OC)c2)c1 ZINC000273387155 474873784 /nfs/dbraw/zinc/87/37/84/474873784.db2.gz JWFVXPGYGJRNDN-ZDUSSCGKSA-N 0 3 347.411 2.631 20 10 EFCDHN Cc1cc(C(=O)N[C@H]2CN(C3CC3)C[C@H]2C)c(C)n1-c1ccccn1 ZINC000268238814 474881425 /nfs/dbraw/zinc/88/14/25/474881425.db2.gz OKPOERWMBFJJGH-ACJLOTCBSA-N 0 3 338.455 2.702 20 10 EFCDHN COc1ccc(O)c([C@@H](C)NCc2ccc(S(C)(=O)=O)cc2)c1 ZINC000273435615 474897084 /nfs/dbraw/zinc/89/70/84/474897084.db2.gz WVQBPHBZOIOUFW-GFCCVEGCSA-N 0 3 335.425 2.655 20 10 EFCDHN Cc1ccc([C@H](C)N[C@@H]2CCN(CC(F)(F)F)C2=O)c(O)c1C ZINC000273467670 474915114 /nfs/dbraw/zinc/91/51/14/474915114.db2.gz JAQSYWRVXOIUJG-WCQYABFASA-N 0 3 330.350 2.823 20 10 EFCDHN COC(=O)COc1cccc(C[NH2+][C@H](C)c2cc(OC)ccc2[O-])c1 ZINC000273496243 474928558 /nfs/dbraw/zinc/92/85/58/474928558.db2.gz PGONXUVLJMCIMX-CYBMUJFWSA-N 0 3 345.395 2.803 20 10 EFCDHN COC(=O)COc1cccc(CN[C@H](C)c2cc(OC)ccc2O)c1 ZINC000273496243 474928567 /nfs/dbraw/zinc/92/85/67/474928567.db2.gz PGONXUVLJMCIMX-CYBMUJFWSA-N 0 3 345.395 2.803 20 10 EFCDHN C[C@@H]1CCSCCN1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000279247228 474967837 /nfs/dbraw/zinc/96/78/37/474967837.db2.gz KVEOFTVEOVNUDT-OAHLLOKOSA-N 0 3 335.517 2.538 20 10 EFCDHN COC[C@@H]([NH2+]Cc1cc(Br)cc(C)c1[O-])[C@@H]1CCCO1 ZINC000279499594 474978399 /nfs/dbraw/zinc/97/83/99/474978399.db2.gz VWKSPRDWRDAPJP-KGLIPLIRSA-N 0 3 344.249 2.747 20 10 EFCDHN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@@H]2CCCN(C(C)C)C2)c1 ZINC000273622758 474994193 /nfs/dbraw/zinc/99/41/93/474994193.db2.gz ZOJGCTCLCDALJS-CABCVRRESA-N 0 3 334.460 2.950 20 10 EFCDHN CC[C@@H]([NH2+][C@@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc(C)cc1[O-] ZINC000280075606 475006993 /nfs/dbraw/zinc/00/69/93/475006993.db2.gz LJLUQYIOMNDYNH-HZPDHXFCSA-N 0 3 342.443 2.670 20 10 EFCDHN C[C@H](N[C@H]1CCCc2nn(C)cc21)c1ccc(N2CCOCC2)cc1 ZINC000280091991 475009640 /nfs/dbraw/zinc/00/96/40/475009640.db2.gz MLOMKRBUDDORGP-KXBFYZLASA-N 0 3 340.471 2.985 20 10 EFCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]C[C@@H](CO)[C@@H]1CCOC1 ZINC000280206901 475014745 /nfs/dbraw/zinc/01/47/45/475014745.db2.gz FIVQBXANZDSYSO-MJGOQNOKSA-N 0 3 327.424 2.794 20 10 EFCDHN CN(C)c1ccc(CNCCn2cc(Br)cn2)cc1F ZINC000285558415 475030996 /nfs/dbraw/zinc/03/09/96/475030996.db2.gz SFGHQPASLFHNKU-UHFFFAOYSA-N 0 3 341.228 2.641 20 10 EFCDHN COc1ccc(NC(=O)C[C@@H](C)[NH2+]Cc2ccccc2[O-])c(OC)c1 ZINC000268818390 475043714 /nfs/dbraw/zinc/04/37/14/475043714.db2.gz JENWYRORVSZDQU-CYBMUJFWSA-N 0 3 344.411 2.916 20 10 EFCDHN C[C@H](NC[C@H](O)c1cnn(C)c1)c1ccc(N2CCCCC2)cc1 ZINC000268854838 475046450 /nfs/dbraw/zinc/04/64/50/475046450.db2.gz CTAZANGKFXYQKC-KXBFYZLASA-N 0 3 328.460 2.795 20 10 EFCDHN CN(C)c1ccc(CNC[C@H](O)C2CCOCC2)c(C(F)(F)F)c1 ZINC000280808635 475050834 /nfs/dbraw/zinc/05/08/34/475050834.db2.gz HWHAJZZMYXBFKO-INIZCTEOSA-N 0 3 346.393 2.649 20 10 EFCDHN Cc1cc(C(=O)N2CC[C@@]3(CCN(C)C3)C2)c(C)n1-c1ccccn1 ZINC000292531664 475074979 /nfs/dbraw/zinc/07/49/79/475074979.db2.gz KJBRDAUHRJHWBJ-HXUWFJFHSA-N 0 3 338.455 2.657 20 10 EFCDHN CCN(Cc1cc(Br)ccc1O)C(=O)[C@H](C)NC1CC1 ZINC000294686796 475079230 /nfs/dbraw/zinc/07/92/30/475079230.db2.gz ACXHEFUZKHJOHT-JTQLQIEISA-N 0 3 341.249 2.644 20 10 EFCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]CCN1CCC(O)CC1 ZINC000294995806 475097424 /nfs/dbraw/zinc/09/74/24/475097424.db2.gz ZNFMJOWPVRRIRB-UHFFFAOYSA-N 0 3 326.440 2.606 20 10 EFCDHN C[C@@H]([NH2+]C[C@@H]1CCCS(=O)(=O)C1)c1cc2c(cc1[O-])CCCC2 ZINC000287242050 475099983 /nfs/dbraw/zinc/09/99/83/475099983.db2.gz YWTDGNAOGRUYQR-KGLIPLIRSA-N 0 3 337.485 2.746 20 10 EFCDHN CN(Cc1cc2c(cc1O)OCO2)[C@@H](CO)c1ccc(Cl)cc1 ZINC000295048247 475100140 /nfs/dbraw/zinc/10/01/40/475100140.db2.gz NDRDPUVKEVPVRJ-AWEZNQCLSA-N 0 3 335.787 2.940 20 10 EFCDHN Cc1ccc([O-])c(C[N@H+]2C[C@@H](c3cnn(C)c3)C3(C2)CCOCC3)c1 ZINC000295058839 475101138 /nfs/dbraw/zinc/10/11/38/475101138.db2.gz QDEROWMTHQYHKE-SFHVURJKSA-N 0 3 341.455 2.830 20 10 EFCDHN Cc1ccc([O-])c(C[N@@H+]2C[C@@H](c3cnn(C)c3)C3(C2)CCOCC3)c1 ZINC000295058839 475101145 /nfs/dbraw/zinc/10/11/45/475101145.db2.gz QDEROWMTHQYHKE-SFHVURJKSA-N 0 3 341.455 2.830 20 10 EFCDHN CCN(C)C(=O)[C@@H]([NH2+]Cc1cc(Cl)cc(OC)c1[O-])C(C)C ZINC000295136084 475105943 /nfs/dbraw/zinc/10/59/43/475105943.db2.gz YTLVZHAWQMZWIW-AWEZNQCLSA-N 0 3 328.840 2.647 20 10 EFCDHN CN(C)C(=O)CCNCc1ccc(N(C)Cc2cccs2)cc1 ZINC000295268690 475117419 /nfs/dbraw/zinc/11/74/19/475117419.db2.gz VMDMDDRGFQGPAA-UHFFFAOYSA-N 0 3 331.485 2.952 20 10 EFCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CC(C)(C)OCCO)c1[O-] ZINC000287404325 475132989 /nfs/dbraw/zinc/13/29/89/475132989.db2.gz RCJYBEUREJSYJQ-NSHDSACASA-N 0 3 346.265 2.901 20 10 EFCDHN O=C(NCc1ccc(O)c(O)c1)C1CCN(Cc2ccccc2)CC1 ZINC000269093824 475169628 /nfs/dbraw/zinc/16/96/28/475169628.db2.gz MAKXEPZZJTYUJU-UHFFFAOYSA-N 0 3 340.423 2.626 20 10 EFCDHN CCN(CC)c1ccc(CN2CC[C@@H]3NC(=O)OC[C@H]3C2)cc1F ZINC000281333671 475174668 /nfs/dbraw/zinc/17/46/68/475174668.db2.gz SFJPQUXZHNFVFD-ZBFHGGJFSA-N 0 3 335.423 2.602 20 10 EFCDHN CCC[C@@H](C)C(=O)NCCNCc1ccc(OC)c(COCC)c1 ZINC000292807993 475204481 /nfs/dbraw/zinc/20/44/81/475204481.db2.gz WCUCQDAURUGCKC-OAHLLOKOSA-N 0 3 336.476 2.874 20 10 EFCDHN Cc1c2ccccc2n(C)c1CNC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000349702867 475987650 /nfs/dbraw/zinc/98/76/50/475987650.db2.gz NMTZYTDETNGJFO-HIFRSBDPSA-N 0 3 340.471 2.911 20 10 EFCDHN Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1CCCN(C)[C@@H]1C ZINC000349895449 476017130 /nfs/dbraw/zinc/01/71/30/476017130.db2.gz PMGUBHHCAZNHAR-GDBMZVCRSA-N 0 3 328.460 2.769 20 10 EFCDHN CC[C@H](C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1)N(C)C ZINC000299102323 476134782 /nfs/dbraw/zinc/13/47/82/476134782.db2.gz WQTLQKTVQRTWEV-RTBURBONSA-N 0 3 347.503 2.600 20 10 EFCDHN Cc1cc(C(=O)N2CC[C@H](N3CCCC3)C2)c(C)n1-c1ccccn1 ZINC000368926764 476380001 /nfs/dbraw/zinc/38/00/01/476380001.db2.gz QOBDVOMNNRIVOB-KRWDZBQOSA-N 0 3 338.455 2.799 20 10 EFCDHN O=C1C[C@H]([NH2+]Cc2cc(F)ccc2[O-])CN1[C@H]1C[C@H]1c1ccccc1 ZINC000374899032 476581299 /nfs/dbraw/zinc/58/12/99/476581299.db2.gz RVLOBCXQMYBRJR-BZSNNMDCSA-N 0 3 340.398 2.778 20 10 EFCDHN Cc1cnn(C)c1C[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000375767852 476996725 /nfs/dbraw/zinc/99/67/25/476996725.db2.gz JXKZAHYXBVQQNW-MRXNPFEDSA-N 0 3 348.878 2.842 20 10 EFCDHN COCCn1c(C)c(C)c2cc(C(=O)NCC3(N(C)C)CC3)ccc21 ZINC000416305385 477116681 /nfs/dbraw/zinc/11/66/81/477116681.db2.gz XDWUVHQIKCTGID-UHFFFAOYSA-N 0 3 343.471 2.729 20 10 EFCDHN CC(=O)Nc1c[nH]nc1[C@H]1CCCN(Cc2ccc(N(C)C)cc2)C1 ZINC000376166689 477207504 /nfs/dbraw/zinc/20/75/04/477207504.db2.gz MSRLSBHKUCAKFQ-INIZCTEOSA-N 0 3 341.459 2.814 20 10 EFCDHN c1cc(N2CCOCC2)ccc1CN1CCC(OCC2CC2)CC1 ZINC000371338239 477255103 /nfs/dbraw/zinc/25/51/03/477255103.db2.gz ZRMNQPHHMYGLRH-UHFFFAOYSA-N 0 3 330.472 2.914 20 10 EFCDHN [O-]c1cc2c(cc1C[N@@H+]1CCCN3c4ccccc4C[C@H]3C1)OCO2 ZINC000368219107 477791742 /nfs/dbraw/zinc/79/17/42/477791742.db2.gz YZBUDMQUXXNEBP-INIZCTEOSA-N 0 3 338.407 2.758 20 10 EFCDHN [O-]c1cc2c(cc1C[N@H+]1CCCN3c4ccccc4C[C@H]3C1)OCO2 ZINC000368219107 477791748 /nfs/dbraw/zinc/79/17/48/477791748.db2.gz YZBUDMQUXXNEBP-INIZCTEOSA-N 0 3 338.407 2.758 20 10 EFCDHN C[C@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)c1cc(Cl)ccc1[O-] ZINC000368328341 477798283 /nfs/dbraw/zinc/79/82/83/477798283.db2.gz OXXABPXTZANBPC-ZFWWWQNUSA-N 0 3 337.895 2.865 20 10 EFCDHN COc1ccc([C@@H](NCc2cc3c(cc2O)OCO3)C2CC2)cn1 ZINC000527841447 478543469 /nfs/dbraw/zinc/54/34/69/478543469.db2.gz PFIGEBLLDKDLDX-SFHVURJKSA-N 0 3 328.368 2.765 20 10 EFCDHN COc1ccc([C@@H]([NH2+]Cc2cc3c(cc2[O-])OCO3)C2CC2)cn1 ZINC000527841447 478543474 /nfs/dbraw/zinc/54/34/74/478543474.db2.gz PFIGEBLLDKDLDX-SFHVURJKSA-N 0 3 328.368 2.765 20 10 EFCDHN C[C@@H]1CCN(C(=O)c2cnn3c2[C@H](C[NH3+])CCC3)c2c([O-])cccc21 ZINC000592566362 478943425 /nfs/dbraw/zinc/94/34/25/478943425.db2.gz MBVCGAHPEVHKSL-OLZOCXBDSA-N 0 3 340.427 2.579 20 10 EFCDHN CCn1nncc1CNCc1ccc(OCc2ccccc2)cc1O ZINC000529637847 479232723 /nfs/dbraw/zinc/23/27/23/479232723.db2.gz GGEIXVRCHFMFEO-UHFFFAOYSA-N 0 3 338.411 2.872 20 10 EFCDHN COCCc1noc(CC2CC[NH+](Cc3cc(F)ccc3[O-])CC2)n1 ZINC000529639413 479232746 /nfs/dbraw/zinc/23/27/46/479232746.db2.gz BNYJYFRWFUDCPX-UHFFFAOYSA-N 0 3 349.406 2.558 20 10 EFCDHN COc1cc(O)c(CNCc2ccc3cn(C)nc3c2)cc1OC ZINC000529639951 479233164 /nfs/dbraw/zinc/23/31/64/479233164.db2.gz FRCLDJPGFBXHEG-UHFFFAOYSA-N 0 3 327.384 2.586 20 10 EFCDHN COc1cc([O-])c(C[NH2+]Cc2ccc3cn(C)nc3c2)cc1OC ZINC000529639951 479233172 /nfs/dbraw/zinc/23/31/72/479233172.db2.gz FRCLDJPGFBXHEG-UHFFFAOYSA-N 0 3 327.384 2.586 20 10 EFCDHN CC(=O)Nc1cccc2c1CCCN2C(=O)c1cccc2c1CCNC2 ZINC000662524555 481858940 /nfs/dbraw/zinc/85/89/40/481858940.db2.gz YIFXSGJRQXWQMT-UHFFFAOYSA-N 0 3 349.434 2.884 20 10 EFCDHN COc1ccc(N(C)C(=O)c2cccc3c2CCNC3)cc1OC ZINC000662537995 481865730 /nfs/dbraw/zinc/86/57/30/481865730.db2.gz SMURZMWWMVNJTN-UHFFFAOYSA-N 0 3 326.396 2.626 20 10 EFCDHN Cc1nn(C)cc1[C@H](C)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000178538133 534850085 /nfs/dbraw/zinc/85/00/85/534850085.db2.gz ZGIVTTHVHDFOKB-HNNXBMFYSA-N 0 3 342.487 2.788 20 10 EFCDHN CCOC(=O)COc1ccc(CC[NH2+]Cc2cc(C)ccc2[O-])cc1 ZINC000174643136 528841676 /nfs/dbraw/zinc/84/16/76/528841676.db2.gz XMIYIBKXVFBBLA-UHFFFAOYSA-N 0 3 343.423 2.975 20 10 EFCDHN CCN(CC)c1ccc(CNCCC(=O)NCc2cccnc2)cc1 ZINC000236916286 535686166 /nfs/dbraw/zinc/68/61/66/535686166.db2.gz RSMFGQKONNRDCK-UHFFFAOYSA-N 0 3 340.471 2.724 20 10 EFCDHN CCOc1ccc(O)c(CN[C@@H]2CCN(Cc3ccccc3)C2=O)c1 ZINC000263722462 535751423 /nfs/dbraw/zinc/75/14/23/535751423.db2.gz WNXLOKLRKYDWNL-GOSISDBHSA-N 0 3 340.423 2.682 20 10 EFCDHN CCOc1ccc(O)c(CN[C@](C)(CC(=O)OC)c2ccncc2)c1 ZINC000191906909 535751537 /nfs/dbraw/zinc/75/15/37/535751537.db2.gz KQUGGGSVQOJEGR-LJQANCHMSA-N 0 3 344.411 2.754 20 10 EFCDHN CC[C@@H]([NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)c1ccc(F)cc1[O-] ZINC000367616616 535808457 /nfs/dbraw/zinc/80/84/57/535808457.db2.gz LQSUHNKRYSRYSJ-CRAIPNDOSA-N 0 3 335.467 2.741 20 10 EFCDHN COc1ccc(N2CCCN(C[C@@H](O)c3ccccc3)CC2)cc1 ZINC000303115271 536671391 /nfs/dbraw/zinc/67/13/91/536671391.db2.gz RQMSSSIPZRZGIX-HXUWFJFHSA-N 0 3 326.440 2.941 20 10 EFCDHN COC1CCN(c2ccc(CN(C)CCc3noc(C)n3)cc2)CC1 ZINC000295645987 536756207 /nfs/dbraw/zinc/75/62/07/536756207.db2.gz FOHUGQKLIOKUAZ-UHFFFAOYSA-N 0 3 344.459 2.668 20 10 EFCDHN C[C@H](NCc1ccnc(N(C)C)c1)c1ccc(N2CCOCC2)cc1 ZINC000754138082 575396562 /nfs/dbraw/zinc/39/65/62/575396562.db2.gz ZJUCRMNVIXUSDJ-INIZCTEOSA-N 0 3 340.471 2.835 20 10 EFCDHN C[C@@H](NCc1ccnc(N(C)C)c1)c1ccc(N2CCOCC2)cc1 ZINC000754138084 575397042 /nfs/dbraw/zinc/39/70/42/575397042.db2.gz ZJUCRMNVIXUSDJ-MRXNPFEDSA-N 0 3 340.471 2.835 20 10 EFCDHN COc1cc(CN2CCC(NC(C)=O)CC2)c(O)c(C(C)(C)C)c1 ZINC000754720154 575476940 /nfs/dbraw/zinc/47/69/40/575476940.db2.gz LKEJUXPVMPLWOW-UHFFFAOYSA-N 0 3 334.460 2.799 20 10 EFCDHN CNC(=O)COc1cccc(C[NH2+][C@H](C)c2ccc(C)cc2[O-])c1 ZINC000756434602 575738490 /nfs/dbraw/zinc/73/84/90/575738490.db2.gz NUZFMHZSVDPHBT-CQSZACIVSA-N 0 3 328.412 2.676 20 10 EFCDHN C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3c2cnn3CCO)c2c1c(F)ccc2[O-] ZINC000756459903 575742572 /nfs/dbraw/zinc/74/25/72/575742572.db2.gz QBQACAXAQITHQO-BYCMXARLSA-N 0 3 345.418 2.936 20 10 EFCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@H](O)COc2cccc(F)c2)c1 ZINC000756462104 575742876 /nfs/dbraw/zinc/74/28/76/575742876.db2.gz YXMLHFDQKSEODT-OCCSQVGLSA-N 0 3 335.375 2.630 20 10 EFCDHN CCN1CCN(C[C@H](C)C[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])CC1 ZINC000756535862 575756687 /nfs/dbraw/zinc/75/66/87/575756687.db2.gz RXTYBHPAACSUHG-ZIAGYGMSSA-N 0 3 341.446 2.595 20 10 EFCDHN Cc1ccc([C@@H](C)[NH2+]CCOc2ccc(S(C)(=O)=O)cc2)c([O-])c1 ZINC000756558438 575761871 /nfs/dbraw/zinc/76/18/71/575761871.db2.gz ZQDMXILRWGDLKB-CQSZACIVSA-N 0 3 349.452 2.834 20 10 EFCDHN C[C@H](NCc1ccc(C(N)=O)nc1)c1cc2c(cc1O)CCCC2 ZINC000756640856 575771815 /nfs/dbraw/zinc/77/18/15/575771815.db2.gz PYXSGQKOKWFPDX-LBPRGKRZSA-N 0 3 325.412 2.616 20 10 EFCDHN C[C@H]1C[C@H]([NH2+]CCS(=O)(=O)C(C)(C)C)c2c1c(F)ccc2[O-] ZINC000756709434 575779666 /nfs/dbraw/zinc/77/96/66/575779666.db2.gz ZKRXUMJPTARLLJ-JQWIXIFHSA-N 0 3 329.437 2.883 20 10 EFCDHN COc1ccc(O)c([C@@H](C)N[C@@H]2CCN(C3CCCCC3)C2=O)c1 ZINC000756763773 575785198 /nfs/dbraw/zinc/78/51/98/575785198.db2.gz YSLYNQLPNBJQJZ-CXAGYDPISA-N 0 3 332.444 2.985 20 10 EFCDHN Cc1ccc([C@H](C)N[C@@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)c(O)c1C ZINC000756839045 575790801 /nfs/dbraw/zinc/79/08/01/575790801.db2.gz PTSGWRMMULNUNB-RVSPLBMKSA-N 0 3 342.443 2.587 20 10 EFCDHN C[C@@H]1C[C@H]([NH2+]C[C@H]2COC3(CCOCC3)O2)c2c1c(F)ccc2[O-] ZINC000756863709 575794668 /nfs/dbraw/zinc/79/46/68/575794668.db2.gz KIHNTOYRHKVOBV-DYEKYZERSA-N 0 3 337.391 2.591 20 10 EFCDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000757628536 575846105 /nfs/dbraw/zinc/84/61/05/575846105.db2.gz YHDKOQKMZAQWLU-HNAYVOBHSA-N 0 3 342.487 2.569 20 10 EFCDHN C[C@H](NC[C@@H]1CCCCS1(=O)=O)c1cc2c(cc1O)CCCC2 ZINC000757657920 575848074 /nfs/dbraw/zinc/84/80/74/575848074.db2.gz UHGCRAULODOZCX-BBRMVZONSA-N 0 3 337.485 2.889 20 10 EFCDHN C[C@H]([NH2+]C[C@@H]1CCCCS1(=O)=O)c1cc2c(cc1[O-])CCCC2 ZINC000757657920 575848076 /nfs/dbraw/zinc/84/80/76/575848076.db2.gz UHGCRAULODOZCX-BBRMVZONSA-N 0 3 337.485 2.889 20 10 EFCDHN C[C@@H]([NH2+][C@H]1CCCN(Cc2ccccn2)C1=O)c1cc(F)ccc1[O-] ZINC000757659706 575848163 /nfs/dbraw/zinc/84/81/63/575848163.db2.gz ZLFIWYVDCVPENS-DYVFJYSZSA-N 0 3 343.402 2.768 20 10 EFCDHN COC[C@@](C)(CC(=O)OC)NCc1ccc(N2CCCCC2)cc1 ZINC000757923237 575855865 /nfs/dbraw/zinc/85/58/65/575855865.db2.gz FMKKIYFZVPFYON-LJQANCHMSA-N 0 3 334.460 2.735 20 10 EFCDHN [O-]c1cc2c(cc1C[NH2+]C[C@]1(CO)C[C@@H]1c1ccc(F)cc1)OCO2 ZINC000758526213 575871628 /nfs/dbraw/zinc/87/16/28/575871628.db2.gz FMAOFEHXUHLAMM-BEFAXECRSA-N 0 3 345.370 2.516 20 10 EFCDHN CC[C@@H](CN1CCCC1)NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000758730514 575876455 /nfs/dbraw/zinc/87/64/55/575876455.db2.gz UAXROUYPSGHLOG-HNNXBMFYSA-N 0 3 336.455 2.565 20 10 EFCDHN CCN(CC)c1ccc(CN(C)CC[C@H]2CCS(=O)(=O)C2)cc1 ZINC000760807626 576076364 /nfs/dbraw/zinc/07/63/64/576076364.db2.gz GQTXVNQZLQVHPZ-KRWDZBQOSA-N 0 3 338.517 2.789 20 10 EFCDHN COC(=O)[C@@H]1CC12CC[NH+](Cc1cc(Cl)cc(OC)c1[O-])CC2 ZINC000761202831 576128936 /nfs/dbraw/zinc/12/89/36/576128936.db2.gz NWWNVBCVKIULNH-ZDUSSCGKSA-N 0 3 339.819 2.829 20 10 EFCDHN Cn1nccc1CCNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000762556725 576313120 /nfs/dbraw/zinc/31/31/20/576313120.db2.gz OKMFLCLPMHMVPK-UHFFFAOYSA-N 0 3 343.431 2.651 20 10 EFCDHN COc1ccc([O-])c(C[NH2+]C[C@]2(CO)C[C@@H]2c2ccc(F)cc2)c1 ZINC000763444509 576377651 /nfs/dbraw/zinc/37/76/51/576377651.db2.gz PDAJXUWEVKZEMU-MJGOQNOKSA-N 0 3 331.387 2.796 20 10 EFCDHN COc1ccc(N2CCCN(CCCc3nc(C)no3)CC2)cc1 ZINC000763494230 576379268 /nfs/dbraw/zinc/37/92/68/576379268.db2.gz ZKVPSXZYFIWXKR-UHFFFAOYSA-N 0 3 330.432 2.532 20 10 EFCDHN Cc1cc(N(C)C)ccc1CNC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000764849893 576511830 /nfs/dbraw/zinc/51/18/30/576511830.db2.gz IVAAGOKGZCUZBA-LJQANCHMSA-N 0 3 344.503 2.877 20 10 EFCDHN O=S(=O)(CC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-])CC1CC1 ZINC000765276716 577025855 /nfs/dbraw/zinc/02/58/55/577025855.db2.gz NNECBRAJXCHAJR-UHFFFAOYSA-N 0 3 345.464 2.974 20 10 EFCDHN COC(=O)c1ccc(CNC2CCN(c3ccc(OC)cc3)CC2)o1 ZINC000766002058 577097275 /nfs/dbraw/zinc/09/72/75/577097275.db2.gz NVHYPJULHSZOON-UHFFFAOYSA-N 0 3 344.411 2.833 20 10 EFCDHN CCOc1cccc(CNCC(=O)Nc2ccc(F)c(F)c2)c1O ZINC000725841787 577243760 /nfs/dbraw/zinc/24/37/60/577243760.db2.gz NJUUIPUERCCPFF-UHFFFAOYSA-N 0 3 336.338 2.797 20 10 EFCDHN O=C(C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-])NCC(F)(F)F ZINC000725849271 577249359 /nfs/dbraw/zinc/24/93/59/577249359.db2.gz CGKJKLPKNORANY-UHFFFAOYSA-N 0 3 338.329 2.827 20 10 EFCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]C[C@@H](O)COCC1CC1 ZINC000725850181 577249978 /nfs/dbraw/zinc/24/99/78/577249978.db2.gz PEBQCPYGDBCWFS-LJQANCHMSA-N 0 3 327.424 2.936 20 10 EFCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000768218432 577261370 /nfs/dbraw/zinc/26/13/70/577261370.db2.gz NXEODHCEAXDXFV-CQSZACIVSA-N 0 3 338.411 2.823 20 10 EFCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000768218432 577261371 /nfs/dbraw/zinc/26/13/71/577261371.db2.gz NXEODHCEAXDXFV-CQSZACIVSA-N 0 3 338.411 2.823 20 10 EFCDHN COc1cccc(O)c1CN1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000768248439 577262627 /nfs/dbraw/zinc/26/26/27/577262627.db2.gz DQUGFAUOBYQBEO-CYBMUJFWSA-N 0 3 336.432 2.842 20 10 EFCDHN COCC[N@H+](CCc1ccccc1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768439768 577273399 /nfs/dbraw/zinc/27/33/99/577273399.db2.gz JPJFZNFRFZLFBN-LJQANCHMSA-N 0 3 343.423 2.509 20 10 EFCDHN COCC[N@@H+](CCc1ccccc1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768439768 577273402 /nfs/dbraw/zinc/27/34/02/577273402.db2.gz JPJFZNFRFZLFBN-LJQANCHMSA-N 0 3 343.423 2.509 20 10 EFCDHN CC(C)CCOC1CC[NH+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CC1 ZINC000768439927 577273451 /nfs/dbraw/zinc/27/34/51/577273451.db2.gz QCKKNVNDKBSZCQ-SFHVURJKSA-N 0 3 335.444 2.845 20 10 EFCDHN C[N@H+](CCOc1ccc(Cl)cc1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768437819 577273458 /nfs/dbraw/zinc/27/34/58/577273458.db2.gz JOVSXOCTTGBBLC-QGZVFWFLSA-N 0 3 349.814 2.982 20 10 EFCDHN C[N@@H+](CCOc1ccc(Cl)cc1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768437819 577273460 /nfs/dbraw/zinc/27/34/60/577273460.db2.gz JOVSXOCTTGBBLC-QGZVFWFLSA-N 0 3 349.814 2.982 20 10 EFCDHN COCC[N@H+](CCc1ccccc1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768439766 577273550 /nfs/dbraw/zinc/27/35/50/577273550.db2.gz JPJFZNFRFZLFBN-IBGZPJMESA-N 0 3 343.423 2.509 20 10 EFCDHN COCC[N@@H+](CCc1ccccc1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768439766 577273551 /nfs/dbraw/zinc/27/35/51/577273551.db2.gz JPJFZNFRFZLFBN-IBGZPJMESA-N 0 3 343.423 2.509 20 10 EFCDHN C[N@H+](CCOc1cccc(Cl)c1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768440606 577273836 /nfs/dbraw/zinc/27/38/36/577273836.db2.gz ASQZMKASHKOLRU-QGZVFWFLSA-N 0 3 349.814 2.982 20 10 EFCDHN C[N@@H+](CCOc1cccc(Cl)c1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768440606 577273837 /nfs/dbraw/zinc/27/38/37/577273837.db2.gz ASQZMKASHKOLRU-QGZVFWFLSA-N 0 3 349.814 2.982 20 10 EFCDHN C[N@@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)C[C@H]1OCCc2ccccc21 ZINC000768444665 577274189 /nfs/dbraw/zinc/27/41/89/577274189.db2.gz NGCDLVRVHPRSRC-AZUAARDMSA-N 0 3 341.407 2.564 20 10 EFCDHN C[N@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)C[C@H]1OCCc2ccccc21 ZINC000768444665 577274192 /nfs/dbraw/zinc/27/41/92/577274192.db2.gz NGCDLVRVHPRSRC-AZUAARDMSA-N 0 3 341.407 2.564 20 10 EFCDHN Cc1cccc(OCC[N@@H+](C)Cc2cc3c(cc2[O-])OC[C@H]3O)c1 ZINC000768446483 577274550 /nfs/dbraw/zinc/27/45/50/577274550.db2.gz YEBNSRCFLNWLDS-GOSISDBHSA-N 0 3 329.396 2.637 20 10 EFCDHN Cc1cccc(OCC[N@H+](C)Cc2cc3c(cc2[O-])OC[C@H]3O)c1 ZINC000768446483 577274552 /nfs/dbraw/zinc/27/45/52/577274552.db2.gz YEBNSRCFLNWLDS-GOSISDBHSA-N 0 3 329.396 2.637 20 10 EFCDHN COc1ccccc1[C@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768448352 577274850 /nfs/dbraw/zinc/27/48/50/577274850.db2.gz UMMUVAWGJLRVJU-UGSOOPFHSA-N 0 3 341.407 2.816 20 10 EFCDHN COc1ccccc1[C@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768448352 577274851 /nfs/dbraw/zinc/27/48/51/577274851.db2.gz UMMUVAWGJLRVJU-UGSOOPFHSA-N 0 3 341.407 2.816 20 10 EFCDHN COc1ccc2c(c1)CCC[N@@H+](Cc1cc3c(cc1[O-])OC[C@H]3O)C2 ZINC000768449412 577275064 /nfs/dbraw/zinc/27/50/64/577275064.db2.gz GTFLKONEWREGPM-LJQANCHMSA-N 0 3 341.407 2.775 20 10 EFCDHN COc1ccc2c(c1)CCC[N@H+](Cc1cc3c(cc1[O-])OC[C@H]3O)C2 ZINC000768449412 577275065 /nfs/dbraw/zinc/27/50/65/577275065.db2.gz GTFLKONEWREGPM-LJQANCHMSA-N 0 3 341.407 2.775 20 10 EFCDHN CCO[C@@H]1C[C@H]([N@H+](C)Cc2cc3c(cc2[O-])OC[C@H]3O)C12CCC2 ZINC000768461286 577275606 /nfs/dbraw/zinc/27/56/06/577275606.db2.gz ACLQZKFJCBQSOP-BPQIPLTHSA-N 0 3 333.428 2.598 20 10 EFCDHN CCO[C@@H]1C[C@H]([N@@H+](C)Cc2cc3c(cc2[O-])OC[C@H]3O)C12CCC2 ZINC000768461286 577275609 /nfs/dbraw/zinc/27/56/09/577275609.db2.gz ACLQZKFJCBQSOP-BPQIPLTHSA-N 0 3 333.428 2.598 20 10 EFCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@H]1CN1CCOCC1)CCCC2 ZINC000768466570 577276501 /nfs/dbraw/zinc/27/65/01/577276501.db2.gz SBOYSIIMZKRUMI-IBGZPJMESA-N 0 3 330.472 2.568 20 10 EFCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@H]1CN1CCOCC1)CCCC2 ZINC000768466570 577276502 /nfs/dbraw/zinc/27/65/02/577276502.db2.gz SBOYSIIMZKRUMI-IBGZPJMESA-N 0 3 330.472 2.568 20 10 EFCDHN C[C@H](Cn1cccn1)[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000768689508 577295253 /nfs/dbraw/zinc/29/52/53/577295253.db2.gz HZRMADAOIOLBDA-RHSMWYFYSA-N 0 3 348.878 2.885 20 10 EFCDHN CC(C)N(C)C(=O)C1CCN(Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000768872616 577312533 /nfs/dbraw/zinc/31/25/33/577312533.db2.gz QLHCYZBYSXZZRP-UHFFFAOYSA-N 0 3 335.467 2.971 20 10 EFCDHN C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(Cc2cc3c(cc2[O-])OCO3)C1 ZINC000768913553 577315971 /nfs/dbraw/zinc/31/59/71/577315971.db2.gz LCMLMIUUZIYHGG-LZWOXQAQSA-N 0 3 332.444 2.958 20 10 EFCDHN C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(Cc2cc3c(cc2[O-])OCO3)C1 ZINC000768913553 577315972 /nfs/dbraw/zinc/31/59/72/577315972.db2.gz LCMLMIUUZIYHGG-LZWOXQAQSA-N 0 3 332.444 2.958 20 10 EFCDHN Fc1cc(CN2CCC(c3cn[nH]c3)CC2)ccc1N1CCOCC1 ZINC000769005019 577323771 /nfs/dbraw/zinc/32/37/71/577323771.db2.gz ULKLJKMMZNKHGC-UHFFFAOYSA-N 0 3 344.434 2.765 20 10 EFCDHN [O-]c1cccc(Cl)c1C[NH+]1CCC(CCN2CCOCC2)CC1 ZINC000769205690 577344242 /nfs/dbraw/zinc/34/42/42/577344242.db2.gz GOHALPNKYDMTMU-UHFFFAOYSA-N 0 3 338.879 2.980 20 10 EFCDHN c1cn([C@H]2CCCN(Cc3ccc(N4CCOCC4)cc3)C2)cn1 ZINC000769310660 577351241 /nfs/dbraw/zinc/35/12/41/577351241.db2.gz IYNSLQJAINJBOZ-IBGZPJMESA-N 0 3 326.444 2.557 20 10 EFCDHN CCOc1ccc(C[NH+]2CCC(N3CCCCC3=O)CC2)c([O-])c1 ZINC000769506270 577368197 /nfs/dbraw/zinc/36/81/97/577368197.db2.gz GKTWTBHWJYRSAP-UHFFFAOYSA-N 0 3 332.444 2.768 20 10 EFCDHN CCOc1ccc(CN2CCCN(c3nc(C)ns3)CC2)c(O)c1 ZINC000769505912 577368237 /nfs/dbraw/zinc/36/82/37/577368237.db2.gz QUQFZHXWPMQIIC-UHFFFAOYSA-N 0 3 348.472 2.663 20 10 EFCDHN CCOC(=O)N1CC[C@@H](NCc2ccc(N(CC)CC)c(F)c2)C1 ZINC000769939666 577394630 /nfs/dbraw/zinc/39/46/30/577394630.db2.gz QGHKLDSSCKPLJH-OAHLLOKOSA-N 0 3 337.439 2.992 20 10 EFCDHN COC[C@@H](NCc1ccc(N2CCN(C)CC2)cc1)c1ccco1 ZINC000771841856 581249656 /nfs/dbraw/zinc/24/96/56/581249656.db2.gz GGMZCORZRXLURM-GOSISDBHSA-N 0 3 329.444 2.509 20 10 EFCDHN CSc1cc(CNCc2ccc(N3CCOCC3)cc2)ccn1 ZINC000771882088 581254387 /nfs/dbraw/zinc/25/43/87/581254387.db2.gz QSWJCBSXPFMQAY-UHFFFAOYSA-N 0 3 329.469 2.930 20 10 EFCDHN CCN(CC)CCOC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000772298971 581305178 /nfs/dbraw/zinc/30/51/78/581305178.db2.gz AAHYSAZXMQZPCE-UHFFFAOYSA-N 0 3 333.457 2.815 20 10 EFCDHN C[C@@H](NC(=O)NCCN1CCC[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000773217069 581406487 /nfs/dbraw/zinc/40/64/87/581406487.db2.gz HCSHXDOBCGKRSY-HZPDHXFCSA-N 0 3 332.492 2.845 20 10 EFCDHN C[C@H](CN1CCCCC1)NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773360731 581423105 /nfs/dbraw/zinc/42/31/05/581423105.db2.gz GWRQKENZHWRICM-CVEARBPZSA-N 0 3 332.492 2.987 20 10 EFCDHN Cc1cc(C(=O)NOC2CCN(C)CC2)c(C)n1-c1ccc(F)cc1 ZINC000773549526 581443827 /nfs/dbraw/zinc/44/38/27/581443827.db2.gz BVCMKVRKIZEJOR-UHFFFAOYSA-N 0 3 345.418 2.989 20 10 EFCDHN C[C@@H](N[C@@H](Cc1ccc(F)cc1)C(N)=O)c1ccc(N(C)C)cc1 ZINC000774483787 581492607 /nfs/dbraw/zinc/49/26/07/581492607.db2.gz LZNZSFMPELZSDY-ACJLOTCBSA-N 0 3 329.419 2.639 20 10 EFCDHN COc1cncc(CNCc2ccc(N3CCSCC3)cc2)c1 ZINC000850035127 1250236596 /nfs/dbraw/zinc/23/65/96/1250236596.db2.gz VHVGGUBTBJURMF-UHFFFAOYSA-N 0 3 329.469 2.933 20 10 EFCDHN CCCn1nccc1CN[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000850076950 1250265776 /nfs/dbraw/zinc/26/57/76/1250265776.db2.gz GTHGPKZHPLTYFR-MRXNPFEDSA-N 0 3 328.460 2.981 20 10 EFCDHN CCCCN1C(=O)C[C@]2(CCC[N@H+](Cc3cc(F)ccc3[O-])C2)C1=O ZINC001273286005 1265478667 /nfs/dbraw/zinc/47/86/67/1265478667.db2.gz XKKFLXFYVGSQTG-IBGZPJMESA-N 0 3 348.418 2.673 20 10 EFCDHN CCCCN1C(=O)C[C@]2(CCC[N@@H+](Cc3cc(F)ccc3[O-])C2)C1=O ZINC001273286005 1265478670 /nfs/dbraw/zinc/47/86/70/1265478670.db2.gz XKKFLXFYVGSQTG-IBGZPJMESA-N 0 3 348.418 2.673 20 10 EFCDHN COc1cc(CNCc2n[nH]c(C3CC3)n2)c(O)c(C(C)(C)C)c1 ZINC000850314422 1250421740 /nfs/dbraw/zinc/42/17/40/1250421740.db2.gz WDENXCHDSKHKAF-UHFFFAOYSA-N 0 3 330.432 2.984 20 10 EFCDHN COc1ccc(N2C[C@@H]([NH2+][C@@H]3CCc4cccc([O-])c43)CC2=O)cc1 ZINC000850515732 1250519058 /nfs/dbraw/zinc/51/90/58/1250519058.db2.gz OBKNZKLHHKOTCL-WMLDXEAASA-N 0 3 338.407 2.783 20 10 EFCDHN COc1ccc(N2C[C@@H]([NH2+][C@H](C)c3ccccc3[O-])CC2=O)cc1 ZINC000850516035 1250520134 /nfs/dbraw/zinc/52/01/34/1250520134.db2.gz QWGHYBLOCDCPTH-KGLIPLIRSA-N 0 3 326.396 2.857 20 10 EFCDHN CC[C@H](NCc1ccc(N2CCC(O)CC2)cc1)c1cnn(C)c1 ZINC000850566372 1250539160 /nfs/dbraw/zinc/53/91/60/1250539160.db2.gz MWMNUWWONSUDAD-IBGZPJMESA-N 0 3 328.460 2.622 20 10 EFCDHN CCn1cc([C@H](C)NCc2ccc(N3CCC(O)CC3)cc2)cn1 ZINC000850565853 1250539673 /nfs/dbraw/zinc/53/96/73/1250539673.db2.gz IIVHGEGKHUSPEZ-HNNXBMFYSA-N 0 3 328.460 2.715 20 10 EFCDHN COc1cc([C@H](C)NCc2ccc(N3CCC(O)CC3)cc2)ccn1 ZINC000850567934 1250541205 /nfs/dbraw/zinc/54/12/05/1250541205.db2.gz MIEVSCIKKJPBQA-HNNXBMFYSA-N 0 3 341.455 2.902 20 10 EFCDHN CC(C)C[NH+]1CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000112642531 1255421354 /nfs/dbraw/zinc/42/13/54/1255421354.db2.gz MUGXYOUBAPMITD-UHFFFAOYSA-N 0 3 327.266 2.928 20 10 EFCDHN COCCOc1ccc(CNCc2ccc3c(c2)CCCO3)cn1 ZINC000921539549 1257080389 /nfs/dbraw/zinc/08/03/89/1257080389.db2.gz GUQZBYHVYLWCIE-UHFFFAOYSA-N 0 3 328.412 2.722 20 10 EFCDHN Cc1ccc(C[N@H+]2CCC[C@]3(CC(=O)N(CC(C)C)C3=O)C2)c([O-])c1 ZINC001272766348 1257702831 /nfs/dbraw/zinc/70/28/31/1257702831.db2.gz PJPLZYZNUAMJIT-FQEVSTJZSA-N 0 3 344.455 2.698 20 10 EFCDHN Cc1ccc(C[N@@H+]2CCC[C@]3(CC(=O)N(CC(C)C)C3=O)C2)c([O-])c1 ZINC001272766348 1257702836 /nfs/dbraw/zinc/70/28/36/1257702836.db2.gz PJPLZYZNUAMJIT-FQEVSTJZSA-N 0 3 344.455 2.698 20 10 EFCDHN O=C1C[C@]2(CN1C1CCCC1)CCCCN2Cc1ccc(O)c(O)c1 ZINC001272903144 1261296905 /nfs/dbraw/zinc/29/69/05/1261296905.db2.gz NSKKMKDOQSYAFM-FQEVSTJZSA-N 0 3 344.455 2.997 20 10 EFCDHN CCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001032809081 1261872063 /nfs/dbraw/zinc/87/20/63/1261872063.db2.gz ABNKHJAVRPQZHG-GJZGRUSLSA-N 0 3 329.404 2.548 20 10 EFCDHN CC[C@@H](C)N1CCC2(CC[NH+](Cc3ccc(O)cc3[O-])CC2)C1=O ZINC001272982419 1264667760 /nfs/dbraw/zinc/66/77/60/1264667760.db2.gz IOPHRFVDBUGOJM-CQSZACIVSA-N 0 3 332.444 2.711 20 10 EFCDHN CO[C@@H]1COCC[C@@H]1C[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000824709171 1278257286 /nfs/dbraw/zinc/25/72/86/1278257286.db2.gz OEQOQZCJIPZHRZ-BXUZGUMPSA-N 0 3 344.249 2.604 20 10 EFCDHN CCN(CC)c1ccc(CN(C)C(=O)N[C@@H]2CCN(C3CC3)C2)cc1 ZINC000734285175 1266938279 /nfs/dbraw/zinc/93/82/79/1266938279.db2.gz HJRNFJWNQNFMQX-QGZVFWFLSA-N 0 3 344.503 2.911 20 10 EFCDHN COc1cc(Br)cc(C[NH2+][C@@H]2CCC[C@H]2OC)c1[O-] ZINC000824903705 1278335359 /nfs/dbraw/zinc/33/53/59/1278335359.db2.gz KFXGEIURLCEGCL-VXGBXAGGSA-N 0 3 330.222 2.820 20 10 EFCDHN CO[C@@H]1CN(Cc2ccc(N(C)Cc3cccs3)cc2)C[C@H]1O ZINC000825025189 1278386635 /nfs/dbraw/zinc/38/66/35/1278386635.db2.gz ZIPSBWSTCFKBOB-QZTJIDSGSA-N 0 3 332.469 2.576 20 10 EFCDHN CCN(CC)[C@@H](CNC(=O)c1cccc(O)c1O)c1ccsc1 ZINC000186928550 1268207147 /nfs/dbraw/zinc/20/71/47/1268207147.db2.gz HPALCKJCRVZYKO-AWEZNQCLSA-N 0 3 334.441 2.972 20 10 EFCDHN CCOc1ccc(C[NH2+][C@H]2CCO[C@H](c3ccnn3C)C2)c([O-])c1 ZINC000825046279 1278396001 /nfs/dbraw/zinc/39/60/01/1278396001.db2.gz RPDPSPTTYQZFLI-KSSFIOAISA-N 0 3 331.416 2.534 20 10 EFCDHN C[C@@H](F)CCN1CC[C@@H]1CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001085994779 1269450106 /nfs/dbraw/zinc/45/01/06/1269450106.db2.gz UQKOQPHHVOLUMU-IUODEOHRSA-N 0 3 349.410 2.743 20 10 EFCDHN CCOc1cccc(CN(CCO)Cc2cc(OC)ccc2O)c1 ZINC000825299938 1278497074 /nfs/dbraw/zinc/49/70/74/1278497074.db2.gz SZEJNICKSJGIIT-UHFFFAOYSA-N 0 3 331.412 2.794 20 10 EFCDHN CC[C@@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1[O-])C(=O)NC ZINC000825316918 1278503741 /nfs/dbraw/zinc/50/37/41/1278503741.db2.gz YKFPTJUGVCFYQI-QGZVFWFLSA-N 0 3 328.412 2.585 20 10 EFCDHN CC[C@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1[O-])C(=O)NC ZINC000825316917 1278504453 /nfs/dbraw/zinc/50/44/53/1278504453.db2.gz YKFPTJUGVCFYQI-KRWDZBQOSA-N 0 3 328.412 2.585 20 10 EFCDHN C[C@@H](NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccncc1 ZINC000743472072 1270598442 /nfs/dbraw/zinc/59/84/42/1270598442.db2.gz JVYLVAABKRGXAC-QAPCUYQASA-N 0 3 338.455 2.634 20 10 EFCDHN C[C@@H]([NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1)c1cc(F)ccc1[O-] ZINC000702566659 1271496385 /nfs/dbraw/zinc/49/63/85/1271496385.db2.gz MTAIQLHCVXGHQO-QRWLVFNGSA-N 0 3 344.430 2.819 20 10 EFCDHN C[C@@H]([NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1)c1ccccc1[O-] ZINC000702603460 1271555560 /nfs/dbraw/zinc/55/55/60/1271555560.db2.gz NDVGXCUEBIAPDZ-OXQOHEQNSA-N 0 3 326.440 2.680 20 10 EFCDHN CN(C)c1ccc(NC(=O)CC[N@H+](C)Cc2ccccc2[O-])cc1 ZINC000792250582 1278675632 /nfs/dbraw/zinc/67/56/32/1278675632.db2.gz VZZMRNBECSIVPN-UHFFFAOYSA-N 0 3 327.428 2.919 20 10 EFCDHN CN(C)c1ccc(NC(=O)CC[N@@H+](C)Cc2ccccc2[O-])cc1 ZINC000792250582 1278675637 /nfs/dbraw/zinc/67/56/37/1278675637.db2.gz VZZMRNBECSIVPN-UHFFFAOYSA-N 0 3 327.428 2.919 20 10 EFCDHN CCOC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2cc3ccccc3cc2[O-])CO1 ZINC001169350981 1272839885 /nfs/dbraw/zinc/83/98/85/1272839885.db2.gz WQALDHXFMYYJPR-AEFFLSMTSA-N 0 3 329.396 2.746 20 10 EFCDHN [O-]c1ccc(Cl)cc1C[NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000705684328 1274167408 /nfs/dbraw/zinc/16/74/08/1274167408.db2.gz GGNGMDKGWJBOHO-LJQANCHMSA-N 0 3 346.858 2.772 20 10 EFCDHN [O-]c1cccc(Br)c1CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000706853930 1275053021 /nfs/dbraw/zinc/05/30/21/1275053021.db2.gz NQHVVPIFFITQCG-NWDGAFQWSA-N 0 3 325.250 2.871 20 10 EFCDHN [O-]c1cccc(Br)c1CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000706853930 1275053027 /nfs/dbraw/zinc/05/30/27/1275053027.db2.gz NQHVVPIFFITQCG-NWDGAFQWSA-N 0 3 325.250 2.871 20 10 EFCDHN CNC(=O)c1cccc(CN(C)CCN(C)c2ccc(OC)cc2)c1 ZINC000844401394 1278952774 /nfs/dbraw/zinc/95/27/74/1278952774.db2.gz NGJJPWQYUFCGRZ-UHFFFAOYSA-N 0 3 341.455 2.623 20 10 EFCDHN COc1ccc(O)c([C@@H](C)NCc2ccc(S(C)(=O)=O)s2)c1 ZINC000786965800 1275593456 /nfs/dbraw/zinc/59/34/56/1275593456.db2.gz OFHCLTRYHFOJGB-SNVBAGLBSA-N 0 3 341.454 2.717 20 10 EFCDHN COC(=O)[C@@H]1CC[N@H+](Cc2c([O-])ccc3ccc(OC)cc32)[C@@H]1C ZINC000787239939 1275731585 /nfs/dbraw/zinc/73/15/85/1275731585.db2.gz PKLZTFCMPWSMQO-IUODEOHRSA-N 0 3 329.396 2.937 20 10 EFCDHN COC(=O)[C@@H]1CC[N@@H+](Cc2c([O-])ccc3ccc(OC)cc32)[C@@H]1C ZINC000787239939 1275731590 /nfs/dbraw/zinc/73/15/90/1275731590.db2.gz PKLZTFCMPWSMQO-IUODEOHRSA-N 0 3 329.396 2.937 20 10 EFCDHN COc1cccc(O)c1CN1CCC[C@@H](Oc2ncccc2F)C1 ZINC000787292180 1275736068 /nfs/dbraw/zinc/73/60/68/1275736068.db2.gz YAMBAIWVQKNVQS-CYBMUJFWSA-N 0 3 332.375 2.978 20 10 EFCDHN Cc1ccc([C@H](CNC(=O)c2cccc(O)c2O)N2CCCC2)cc1 ZINC000187045387 1276392220 /nfs/dbraw/zinc/39/22/20/1276392220.db2.gz BTGFMJHGKPIYQG-KRWDZBQOSA-N 0 3 340.423 2.973 20 10 EFCDHN Cc1ccc([C@@H](CNC(=O)c2cccc(O)c2O)N2CCCC2)cc1 ZINC000187045369 1276392296 /nfs/dbraw/zinc/39/22/96/1276392296.db2.gz BTGFMJHGKPIYQG-QGZVFWFLSA-N 0 3 340.423 2.973 20 10 EFCDHN CC(C)n1cncc1CNCc1ccc(N2CCC(CO)CC2)cc1 ZINC000818180885 1276480031 /nfs/dbraw/zinc/48/00/31/1276480031.db2.gz NIJZRQPNPFLHRY-UHFFFAOYSA-N 0 3 342.487 2.963 20 10 EFCDHN CC[C@@H](NC[C@H]1CCN(c2ccc(OC)cc2)C1)c1nccn1C ZINC000818342614 1276511819 /nfs/dbraw/zinc/51/18/19/1276511819.db2.gz STPUJIWWUUYYFG-CRAIPNDOSA-N 0 3 328.460 2.996 20 10 EFCDHN CC[C@H](NC[C@@H]1CCN(c2ccc(OC)cc2)C1)c1nccn1C ZINC000818342617 1276511871 /nfs/dbraw/zinc/51/18/71/1276511871.db2.gz STPUJIWWUUYYFG-YJBOKZPZSA-N 0 3 328.460 2.996 20 10 EFCDHN CC[C@H](NC[C@H]1CCN(c2ccc(OC)cc2)C1)c1nccn1C ZINC000818342616 1276511875 /nfs/dbraw/zinc/51/18/75/1276511875.db2.gz STPUJIWWUUYYFG-QAPCUYQASA-N 0 3 328.460 2.996 20 10 EFCDHN COc1ccc(N2CCN(C[C@@H](O)Cc3ccc(F)cc3)CC2)cc1 ZINC000815010450 1287245349 /nfs/dbraw/zinc/24/53/49/1287245349.db2.gz WYVFWGKSCKBHBQ-IBGZPJMESA-N 0 3 344.430 2.560 20 10 EFCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCC[C@H](n4ccnn4)C3)c2c1 ZINC000819896307 1276937699 /nfs/dbraw/zinc/93/76/99/1276937699.db2.gz FWWUXEKWWWEBHG-HNNXBMFYSA-N 0 3 338.411 2.983 20 10 EFCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCC[C@H](n4ccnn4)C3)c2c1 ZINC000819896307 1276937700 /nfs/dbraw/zinc/93/77/00/1276937700.db2.gz FWWUXEKWWWEBHG-HNNXBMFYSA-N 0 3 338.411 2.983 20 10 EFCDHN COc1cc(CN2CC[C@@H](N3CCCC3=O)C2)c(O)c(C(C)(C)C)c1 ZINC000790460822 1277545872 /nfs/dbraw/zinc/54/58/72/1277545872.db2.gz QFJVVYHCSCVFSN-OAHLLOKOSA-N 0 3 346.471 2.895 20 10 EFCDHN COCCN(CCOC)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792767782 1279164141 /nfs/dbraw/zinc/16/41/41/1279164141.db2.gz WGIJYCSYUINLFK-UHFFFAOYSA-N 0 3 334.382 2.866 20 10 EFCDHN CC(C)N1C[C@H](NCc2ccc(N(C)C)cc2C(F)(F)F)CC1=O ZINC000792989750 1279317511 /nfs/dbraw/zinc/31/75/11/1279317511.db2.gz LFDWXABNUTUIQS-CYBMUJFWSA-N 0 3 343.393 2.870 20 10 EFCDHN COc1ccc(NC(=O)C[C@H](C)[NH2+]Cc2ccc(OC)cc2[O-])cc1 ZINC000793390903 1279617348 /nfs/dbraw/zinc/61/73/48/1279617348.db2.gz UPUUOWYJAUWQPH-ZDUSSCGKSA-N 0 3 344.411 2.916 20 10 EFCDHN COc1ccc(NC(=O)C[C@@H](C)[NH2+]Cc2ccc(OC)cc2[O-])cc1 ZINC000793390902 1279618551 /nfs/dbraw/zinc/61/85/51/1279618551.db2.gz UPUUOWYJAUWQPH-CYBMUJFWSA-N 0 3 344.411 2.916 20 10 EFCDHN COc1cc(Cl)cc(C[NH2+]C(C)(C)C(=O)N2CCCC2)c1[O-] ZINC000793394070 1279624551 /nfs/dbraw/zinc/62/45/51/1279624551.db2.gz IYCQIGFHQASWHA-UHFFFAOYSA-N 0 3 326.824 2.545 20 10 EFCDHN COc1cc(Cl)cc(CNC(C)(C)C(=O)N2CCCC2)c1O ZINC000793394070 1279624562 /nfs/dbraw/zinc/62/45/62/1279624562.db2.gz IYCQIGFHQASWHA-UHFFFAOYSA-N 0 3 326.824 2.545 20 10 EFCDHN Cc1cc([C@H](C)NCc2ccc(N3CCC(CO)CC3)cc2)n(C)n1 ZINC000793519277 1279713700 /nfs/dbraw/zinc/71/37/00/1279713700.db2.gz BWRGOXYEQCREJZ-INIZCTEOSA-N 0 3 342.487 2.788 20 10 EFCDHN Cc1cc([C@@H](C)N[C@H](C)c2ccc(N3CCOCC3)cc2)n(C)n1 ZINC000793524732 1279717173 /nfs/dbraw/zinc/71/71/73/1279717173.db2.gz HPKXVWWNEQWXAT-HZPDHXFCSA-N 0 3 328.460 2.977 20 10 EFCDHN C[C@@H](O)CN1CCN(Cc2ccc(N3CCCCC3)cc2)[C@H](C)C1 ZINC000793593253 1279762262 /nfs/dbraw/zinc/76/22/62/1279762262.db2.gz WVDPMMOFJQKEQP-QZTJIDSGSA-N 0 3 331.504 2.564 20 10 EFCDHN COc1ccc(N(C)CC[N@H+](C)Cc2c([O-])cccc2OC)cc1 ZINC000846051739 1280001312 /nfs/dbraw/zinc/00/13/12/1280001312.db2.gz HSUSWMMRBNWPJP-UHFFFAOYSA-N 0 3 330.428 2.978 20 10 EFCDHN COc1ccc(N(C)CC[N@@H+](C)Cc2c([O-])cccc2OC)cc1 ZINC000846051739 1280001321 /nfs/dbraw/zinc/00/13/21/1280001321.db2.gz HSUSWMMRBNWPJP-UHFFFAOYSA-N 0 3 330.428 2.978 20 10 EFCDHN COc1ccc(N(C)CCN(C)Cc2ccc(N(C)C)nc2)cc1 ZINC000846051353 1280002746 /nfs/dbraw/zinc/00/27/46/1280002746.db2.gz GJSNUKMHHOSPGV-UHFFFAOYSA-N 0 3 328.460 2.724 20 10 EFCDHN COc1cccc([C@@H](C)N[C@H]2CCN(c3ccccc3)C2=O)c1O ZINC000846148512 1280036845 /nfs/dbraw/zinc/03/68/45/1280036845.db2.gz FUCJOIDZZOAKNN-CJNGLKHVSA-N 0 3 326.396 2.857 20 10 EFCDHN COc1cccc([C@H](C)N[C@H]2CCN(C3CCCCC3)C2=O)c1O ZINC000846152270 1280038163 /nfs/dbraw/zinc/03/81/63/1280038163.db2.gz ABHBGBSVSPMHHE-BBRMVZONSA-N 0 3 332.444 2.985 20 10 EFCDHN COc1cccc([C@@H](C)N[C@@H]2CCN(c3ccc(F)cc3)C2=O)c1O ZINC000846171825 1280047471 /nfs/dbraw/zinc/04/74/71/1280047471.db2.gz IBRCALDOMUASIU-MLGOLLRUSA-N 0 3 344.386 2.996 20 10 EFCDHN COc1cccc([C@@H](C)NCCS(=O)(=O)Cc2ccccc2)c1O ZINC000846141864 1280050224 /nfs/dbraw/zinc/05/02/24/1280050224.db2.gz AZKRZITZRGXAHE-CQSZACIVSA-N 0 3 349.452 2.666 20 10 EFCDHN C[C@H](N[C@@H](CO)CCF)c1ccc(N2CCOCC2)cc1Cl ZINC000846207697 1280055534 /nfs/dbraw/zinc/05/55/34/1280055534.db2.gz BUDZTDYKKNPOBD-QWHCGFSZSA-N 0 3 330.831 2.548 20 10 EFCDHN C[C@H](N[C@H](CO)CCF)c1ccc(N2CCOCC2)cc1Cl ZINC000846207698 1280055734 /nfs/dbraw/zinc/05/57/34/1280055734.db2.gz BUDZTDYKKNPOBD-STQMWFEESA-N 0 3 330.831 2.548 20 10 EFCDHN C[C@@H](N[C@H](CO)CCF)c1ccc(N2CCOCC2)cc1Cl ZINC000846207696 1280055865 /nfs/dbraw/zinc/05/58/65/1280055865.db2.gz BUDZTDYKKNPOBD-OLZOCXBDSA-N 0 3 330.831 2.548 20 10 EFCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CCN2CCCC2=O)c1[O-] ZINC000846205125 1280070235 /nfs/dbraw/zinc/07/02/35/1280070235.db2.gz FCDWGZPLWCQGML-LLVKDONJSA-N 0 3 341.249 2.736 20 10 EFCDHN CCCNC(=O)CCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000846824060 1280518457 /nfs/dbraw/zinc/51/84/57/1280518457.db2.gz GSFBOWFOUIZTRN-KRWDZBQOSA-N 0 3 334.460 2.680 20 10 EFCDHN CCCNC(=O)CCC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000846824060 1280518462 /nfs/dbraw/zinc/51/84/62/1280518462.db2.gz GSFBOWFOUIZTRN-KRWDZBQOSA-N 0 3 334.460 2.680 20 10 EFCDHN CC[NH+]1CCC(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])CC1 ZINC001146788148 1281045877 /nfs/dbraw/zinc/04/58/77/1281045877.db2.gz OHSVGJSCSIUQAO-UHFFFAOYSA-N 0 3 347.846 2.942 20 10 EFCDHN COc1cc(Br)cc(C[NH2+]CC2=CCCOC2)c1[O-] ZINC000808429532 1281725768 /nfs/dbraw/zinc/72/57/68/1281725768.db2.gz DAQJBPGPEVNCCX-UHFFFAOYSA-N 0 3 328.206 2.600 20 10 EFCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H]2CCN(c3cnn(C)c3)C2=O)c1[O-] ZINC000808707768 1281867216 /nfs/dbraw/zinc/86/72/16/1281867216.db2.gz YFJINIYFENMXRX-ABAIWWIYSA-N 0 3 348.834 2.544 20 10 EFCDHN COCCO[C@@H]1COCC[C@H]1[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808712764 1281869183 /nfs/dbraw/zinc/86/91/83/1281869183.db2.gz BFSUSTWERLVXMT-DAXOMENPSA-N 0 3 343.851 2.825 20 10 EFCDHN COCCO[C@@H]1COCC[C@@H]1[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808712765 1281869916 /nfs/dbraw/zinc/86/99/16/1281869916.db2.gz BFSUSTWERLVXMT-UHOFOFEASA-N 0 3 343.851 2.825 20 10 EFCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CC2(S(C)(=O)=O)CCC2)c1[O-] ZINC000808717332 1281871079 /nfs/dbraw/zinc/87/10/79/1281871079.db2.gz CEDABUQNLBMMHJ-LLVKDONJSA-N 0 3 331.865 2.972 20 10 EFCDHN CNC(=O)[C@H](CCSC)[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808718675 1281871814 /nfs/dbraw/zinc/87/18/14/1281871814.db2.gz PZZUVPJMWDEFMH-MFKMUULPSA-N 0 3 330.881 2.872 20 10 EFCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H]2CCCS(=O)(=O)C2)c1[O-] ZINC000808719611 1281872736 /nfs/dbraw/zinc/87/27/36/1281872736.db2.gz WSROIBRBUVLDMG-NEPJUHHUSA-N 0 3 331.865 2.829 20 10 EFCDHN CC[C@@H]([NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-])C(=O)N1CCOCC1 ZINC000808700380 1281878835 /nfs/dbraw/zinc/87/88/35/1281878835.db2.gz FONGEBUAUPVAPS-IUODEOHRSA-N 0 3 340.851 2.642 20 10 EFCDHN Cc1cc(Br)cc(C[N@@H+](C)[C@@H](CO)COC(C)C)c1[O-] ZINC000809768349 1282430296 /nfs/dbraw/zinc/43/02/96/1282430296.db2.gz ISBWBHGDNGSWNC-AWEZNQCLSA-N 0 3 346.265 2.681 20 10 EFCDHN Cc1cc(Br)cc(C[N@H+](C)[C@@H](CO)COC(C)C)c1[O-] ZINC000809768349 1282430300 /nfs/dbraw/zinc/43/03/00/1282430300.db2.gz ISBWBHGDNGSWNC-AWEZNQCLSA-N 0 3 346.265 2.681 20 10 EFCDHN CCN(C)C(=O)OC[C@@H]1CCCCN1Cc1cc(OC)ccc1O ZINC000809723326 1282427131 /nfs/dbraw/zinc/42/71/31/1282427131.db2.gz GVRLJGJOFVRGHY-HNNXBMFYSA-N 0 3 336.432 2.844 20 10 EFCDHN CC[C@@H]([NH2+]C[C@]1(O)CCN(C)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810238081 1283088876 /nfs/dbraw/zinc/08/88/76/1283088876.db2.gz XXWIKPGSKCWGED-UKRRQHHQSA-N 0 3 332.366 2.518 20 10 EFCDHN CCOc1ccc(C[NH2+][C@@H]2CC(=O)N(c3ccccc3F)C2)c([O-])c1 ZINC000812782929 1285416486 /nfs/dbraw/zinc/41/64/86/1285416486.db2.gz PJZLKSBILYIZEO-CQSZACIVSA-N 0 3 344.386 2.825 20 10 EFCDHN CC[N@H+](Cc1ccccc1[O-])[C@@H]1CC(=O)N(C(=O)OC(C)(C)C)C1 ZINC001171718447 1285738058 /nfs/dbraw/zinc/73/80/58/1285738058.db2.gz UXXHHPNHQRWMRD-CQSZACIVSA-N 0 3 334.416 2.750 20 10 EFCDHN CC[N@@H+](Cc1ccccc1[O-])[C@@H]1CC(=O)N(C(=O)OC(C)(C)C)C1 ZINC001171718447 1285738067 /nfs/dbraw/zinc/73/80/67/1285738067.db2.gz UXXHHPNHQRWMRD-CQSZACIVSA-N 0 3 334.416 2.750 20 10 EFCDHN COc1ccc(CN[C@H]2CC(=O)N(C(=O)OC(C)(C)C)C2)cc1C ZINC001171694129 1285754925 /nfs/dbraw/zinc/75/49/25/1285754925.db2.gz NWHBWSOUNWIBHU-AWEZNQCLSA-N 0 3 334.416 2.629 20 10 EFCDHN COc1ccc(CN[C@@H]2CC(=O)N(C(=O)OC(C)(C)C)C2)cc1C ZINC001171694132 1285755102 /nfs/dbraw/zinc/75/51/02/1285755102.db2.gz NWHBWSOUNWIBHU-CQSZACIVSA-N 0 3 334.416 2.629 20 10 EFCDHN CN(C)C[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1ccc(F)cc1 ZINC000813617898 1286026393 /nfs/dbraw/zinc/02/63/93/1286026393.db2.gz FECWNYMPWNSEGQ-FIRRRZPPSA-N 0 3 344.386 2.669 20 10 EFCDHN COc1ccc(N2CCN([C@@H]3CCc4ncsc4C3)CC2)cc1 ZINC001173131241 1286418984 /nfs/dbraw/zinc/41/89/84/1286418984.db2.gz BQFIZZISASFGNQ-OAHLLOKOSA-N 0 3 329.469 2.831 20 10 EFCDHN Cc1cc(N(C)C)ccc1CNCc1ccc2c(c1)NC(=O)CO2 ZINC000816549050 1288198411 /nfs/dbraw/zinc/19/84/11/1288198411.db2.gz BHZKVMSZAOOYLN-UHFFFAOYSA-N 0 3 325.412 2.682 20 10 EFCDHN C[C@@H](C[NH2+]Cc1ccc2ccccc2c1[O-])CN1CCN(C)CC1 ZINC000816547551 1288198570 /nfs/dbraw/zinc/19/85/70/1288198570.db2.gz AAYCYHMCEQMQQP-INIZCTEOSA-N 0 3 327.472 2.519 20 10 EFCDHN CNS(=O)(=O)c1ccc(CN[C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000851949501 1299481082 /nfs/dbraw/zinc/48/10/82/1299481082.db2.gz FTPVTHIWKJLKTE-AWEZNQCLSA-N 0 3 347.484 2.512 20 10 EFCDHN NC(=O)CC1(C[NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])CC1 ZINC000817411632 1288590450 /nfs/dbraw/zinc/59/04/50/1288590450.db2.gz WJEYDOIMNIJXOB-UHFFFAOYSA-N 0 3 340.423 2.716 20 10 EFCDHN CC(=O)N[C@@H]1CCN(Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000817414693 1288592857 /nfs/dbraw/zinc/59/28/57/1288592857.db2.gz IPDZCMNBOQCLQT-GOSISDBHSA-N 0 3 340.423 2.682 20 10 EFCDHN CC(=O)N[C@@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000817414693 1288592862 /nfs/dbraw/zinc/59/28/62/1288592862.db2.gz IPDZCMNBOQCLQT-GOSISDBHSA-N 0 3 340.423 2.682 20 10 EFCDHN CC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000817414693 1288592867 /nfs/dbraw/zinc/59/28/67/1288592867.db2.gz IPDZCMNBOQCLQT-GOSISDBHSA-N 0 3 340.423 2.682 20 10 EFCDHN Cc1cc(Br)c([O-])c(C[N@@H+](C)C[C@@H]2CCCN2C)c1 ZINC000817417016 1288593122 /nfs/dbraw/zinc/59/31/22/1288593122.db2.gz ARLSTKLHNPXJGK-ZDUSSCGKSA-N 0 3 327.266 2.989 20 10 EFCDHN Cc1cc(Br)c([O-])c(C[N@H+](C)C[C@@H]2CCCN2C)c1 ZINC000817417016 1288593125 /nfs/dbraw/zinc/59/31/25/1288593125.db2.gz ARLSTKLHNPXJGK-ZDUSSCGKSA-N 0 3 327.266 2.989 20 10 EFCDHN Cc1cc(Br)c([O-])c(CN(C)C[C@@H]2CCC[N@@H+]2C)c1 ZINC000817417016 1288593127 /nfs/dbraw/zinc/59/31/27/1288593127.db2.gz ARLSTKLHNPXJGK-ZDUSSCGKSA-N 0 3 327.266 2.989 20 10 EFCDHN Cc1cc(Br)c([O-])c(CN(C)C[C@@H]2CCC[N@H+]2C)c1 ZINC000817417016 1288593129 /nfs/dbraw/zinc/59/31/29/1288593129.db2.gz ARLSTKLHNPXJGK-ZDUSSCGKSA-N 0 3 327.266 2.989 20 10 EFCDHN CC(C)n1cc([C@@H](C)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)nn1 ZINC000903447920 1312693791 /nfs/dbraw/zinc/69/37/91/1312693791.db2.gz GBRPBTPPZJQVOX-DNVCBOLYSA-N 0 3 344.507 2.879 20 10 EFCDHN COC(=O)c1c(CN2CCC(C)(OC)CC2)c2ccccc2n1C ZINC001232402166 1312694329 /nfs/dbraw/zinc/69/43/29/1312694329.db2.gz IHOUCMRMMHSXRD-UHFFFAOYSA-N 0 3 330.428 2.966 20 10 EFCDHN COC(=O)c1c(CN2CCN3CCCC[C@@H]3C2)c2ccccc2n1C ZINC001232404868 1312694966 /nfs/dbraw/zinc/69/49/66/1312694966.db2.gz DAPQCULVCXUHQR-OAHLLOKOSA-N 0 3 341.455 2.635 20 10 EFCDHN COc1cc([C@@H](C)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)on1 ZINC000903448384 1312695008 /nfs/dbraw/zinc/69/50/08/1312695008.db2.gz OFZLWXPNKWPQOV-CZUORRHYSA-N 0 3 332.448 2.703 20 10 EFCDHN COC(=O)c1c(CN2CCN3CCCC[C@H]3C2)c2ccccc2n1C ZINC001232404867 1312695099 /nfs/dbraw/zinc/69/50/99/1312695099.db2.gz DAPQCULVCXUHQR-HNNXBMFYSA-N 0 3 341.455 2.635 20 10 EFCDHN CCn1ccnc1[C@@H](C)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000903449140 1312695806 /nfs/dbraw/zinc/69/58/06/1312695806.db2.gz VPEGTKJWJNRFFD-QAPCUYQASA-N 0 3 329.492 2.923 20 10 EFCDHN COC(=O)N1CC(NCc2ccc(N(C)Cc3cccs3)cc2)C1 ZINC000824012034 1289502610 /nfs/dbraw/zinc/50/26/10/1289502610.db2.gz MWVJVUUKCIWXDM-UHFFFAOYSA-N 0 3 345.468 2.925 20 10 EFCDHN COc1ccc(CNCC[S@](=O)C(C)(C)C)cc1Cn1cccn1 ZINC000873053343 1289541969 /nfs/dbraw/zinc/54/19/69/1289541969.db2.gz IVDQYVOYNREHHK-DEOSSOPVSA-N 0 3 349.500 2.577 20 10 EFCDHN CCOC(=O)[C@@H]1C[N@H+](Cc2c([O-])ccc3ccccc32)CC12COC2 ZINC000824489258 1289666623 /nfs/dbraw/zinc/66/66/23/1289666623.db2.gz IHBTYBZAZPNEKM-KRWDZBQOSA-N 0 3 341.407 2.557 20 10 EFCDHN CCOC(=O)[C@@H]1C[N@@H+](Cc2c([O-])ccc3ccccc32)CC12COC2 ZINC000824489258 1289666634 /nfs/dbraw/zinc/66/66/34/1289666634.db2.gz IHBTYBZAZPNEKM-KRWDZBQOSA-N 0 3 341.407 2.557 20 10 EFCDHN CN(C)c1ccc(CN2CCN(C)C[C@H]2c2ccccc2)c(O)c1 ZINC001232834807 1312791065 /nfs/dbraw/zinc/79/10/65/1312791065.db2.gz NIFZNXDYFHUMJM-IBGZPJMESA-N 0 3 325.456 2.947 20 10 EFCDHN Cc1nn(CC(=O)OC(C)C)c(C)c1CN(C)Cc1ccccc1O ZINC000091956817 1290617023 /nfs/dbraw/zinc/61/70/23/1290617023.db2.gz KMQAVMOSFFFCDS-UHFFFAOYSA-N 0 3 345.443 2.789 20 10 EFCDHN CC(C)CC[C@@H](N)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000876872795 1291053836 /nfs/dbraw/zinc/05/38/36/1291053836.db2.gz NFAPGCXLOLPYRL-DLBZAZTESA-N 0 3 334.460 2.663 20 10 EFCDHN COc1ccc(N2CCC(NCc3ccc(Cl)nn3)CC2)cc1 ZINC000876998286 1291101654 /nfs/dbraw/zinc/10/16/54/1291101654.db2.gz FAAFWIMTDKSSQI-UHFFFAOYSA-N 0 3 332.835 2.897 20 10 EFCDHN CCOC(=O)COc1ccc(CC[NH2+]Cc2c(C)cccc2[O-])cc1 ZINC000877066012 1291123334 /nfs/dbraw/zinc/12/33/34/1291123334.db2.gz ZWQCTHPCTJSAFE-UHFFFAOYSA-N 0 3 343.423 2.975 20 10 EFCDHN COc1cc(C[C@H](CO)C[NH2+]Cc2ccc(C)cc2[O-])cc(OC)c1 ZINC000877076045 1291126279 /nfs/dbraw/zinc/12/62/79/1291126279.db2.gz IUPRFEMFNWNMRN-INIZCTEOSA-N 0 3 345.439 2.659 20 10 EFCDHN COc1cc(CNCCS(=O)(=O)C(C)C)c(O)c(C(C)(C)C)c1 ZINC000825944079 1291157648 /nfs/dbraw/zinc/15/76/48/1291157648.db2.gz OXRPPEZJSYRLOI-UHFFFAOYSA-N 0 3 343.489 2.611 20 10 EFCDHN Cc1ccc(C[NH2+]C[C@H](Cc2ccccc2Cl)C(N)=O)c([O-])c1 ZINC000877321738 1291192476 /nfs/dbraw/zinc/19/24/76/1291192476.db2.gz PVNXZGJQQUTVIJ-HNNXBMFYSA-N 0 3 332.831 2.788 20 10 EFCDHN Cc1ccc(C[NH2+]C[C@@H](Cc2ccccc2Cl)C(N)=O)c([O-])c1 ZINC000877321740 1291192591 /nfs/dbraw/zinc/19/25/91/1291192591.db2.gz PVNXZGJQQUTVIJ-OAHLLOKOSA-N 0 3 332.831 2.788 20 10 EFCDHN COC(=O)[C@]1(C(F)(F)F)CCN(Cc2cc(OC)c(C)cc2O)C1 ZINC000795685919 1291196963 /nfs/dbraw/zinc/19/69/63/1291196963.db2.gz CVJWBRUVUFWOPV-HNNXBMFYSA-N 0 3 347.333 2.637 20 10 EFCDHN CC[N@H+](C)C[C@H]1CCN(Cc2cc(Br)ccc2[O-])C1 ZINC000093769918 1291214042 /nfs/dbraw/zinc/21/40/42/1291214042.db2.gz CKGGJKJTUYXNLF-GFCCVEGCSA-N 0 3 327.266 2.928 20 10 EFCDHN CC[N@@H+](C)C[C@H]1CCN(Cc2cc(Br)ccc2[O-])C1 ZINC000093769918 1291214048 /nfs/dbraw/zinc/21/40/48/1291214048.db2.gz CKGGJKJTUYXNLF-GFCCVEGCSA-N 0 3 327.266 2.928 20 10 EFCDHN CCS(=O)(=O)c1ccc(CNCc2ccc(C)cc2O)s1 ZINC000877486531 1291245410 /nfs/dbraw/zinc/24/54/10/1291245410.db2.gz KAEAZXLMARXRIE-UHFFFAOYSA-N 0 3 325.455 2.846 20 10 EFCDHN CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+]Cc2c(C)cccc2[O-])s1 ZINC000877522337 1291258451 /nfs/dbraw/zinc/25/84/51/1291258451.db2.gz CYAMXXVENUOFGR-NEPJUHHUSA-N 0 3 348.472 2.867 20 10 EFCDHN COc1cc(O)c(CN2CC[C@H](OCc3ccccn3)C2)cc1OC ZINC000877645519 1291304644 /nfs/dbraw/zinc/30/46/44/1291304644.db2.gz NXGHPFCQGNCDBI-INIZCTEOSA-N 0 3 344.411 2.596 20 10 EFCDHN CCOc1ccc(C[N@@H+]2CC[C@H](OCc3ccccn3)C2)c([O-])c1 ZINC000877645787 1291304846 /nfs/dbraw/zinc/30/48/46/1291304846.db2.gz WLZDWBCDTXNBAG-SFHVURJKSA-N 0 3 328.412 2.977 20 10 EFCDHN CCOc1ccc(C[N@H+]2CC[C@H](OCc3ccccn3)C2)c([O-])c1 ZINC000877645787 1291304855 /nfs/dbraw/zinc/30/48/55/1291304855.db2.gz WLZDWBCDTXNBAG-SFHVURJKSA-N 0 3 328.412 2.977 20 10 EFCDHN C[C@@H](C[NH2+]Cc1cc(F)ccc1[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000877728193 1291345537 /nfs/dbraw/zinc/34/55/37/1291345537.db2.gz BWOZAASCHFUFCA-LBPRGKRZSA-N 0 3 337.416 2.828 20 10 EFCDHN CC(C)(O)C1CCN(Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000877753650 1291359519 /nfs/dbraw/zinc/35/95/19/1291359519.db2.gz IXTFTZNSJPFTJM-UHFFFAOYSA-N 0 3 336.451 2.645 20 10 EFCDHN COc1ccc(OC)c([C@H](O)[C@@H](C)[NH2+]Cc2ccc(C)cc2[O-])c1 ZINC000877832887 1291400370 /nfs/dbraw/zinc/40/03/70/1291400370.db2.gz SOMAHUZSLMJGGC-BFUOFWGJSA-N 0 3 331.412 2.930 20 10 EFCDHN COc1ccc(OC)c([C@@H](O)[C@@H](C)[NH2+]Cc2ccc(C)cc2[O-])c1 ZINC000877832890 1291400559 /nfs/dbraw/zinc/40/05/59/1291400559.db2.gz SOMAHUZSLMJGGC-YJYMSZOUSA-N 0 3 331.412 2.930 20 10 EFCDHN CCOC(=O)[C@H]1CCN(Cc2cc(Br)cc(C)c2O)C1 ZINC001233110303 1312856477 /nfs/dbraw/zinc/85/64/77/1312856477.db2.gz KVJVLEXCYHFIJX-NSHDSACASA-N 0 3 342.233 2.848 20 10 EFCDHN Cc1cc(Br)cc(CN2CC(N3CCCC3)C2)c1O ZINC001233110898 1312856889 /nfs/dbraw/zinc/85/68/89/1312856889.db2.gz VPHZDTDPKCHJKA-UHFFFAOYSA-N 0 3 325.250 2.743 20 10 EFCDHN COc1cc([O-])c(CN2CCC[C@@H]([NH+](C)C)C2)cc1Br ZINC001233139622 1312864031 /nfs/dbraw/zinc/86/40/31/1312864031.db2.gz MQULGFHXXMYGHU-GFCCVEGCSA-N 0 3 343.265 2.689 20 10 EFCDHN CCOc1ccc(N2CCN(Cc3cc(C)c[nH]c3=O)CC2)cc1 ZINC001233198825 1312878849 /nfs/dbraw/zinc/87/88/49/1312878849.db2.gz TXCBRUAXAMCUIG-UHFFFAOYSA-N 0 3 327.428 2.817 20 10 EFCDHN CCOC(=O)c1c(CN2CC[C@@](C)(O)[C@H](C)C2)c2ccccc2n1C ZINC001233270095 1312889139 /nfs/dbraw/zinc/88/91/39/1312889139.db2.gz ACVOHGLZIAZCOL-JLTOFOAXSA-N 0 3 344.455 2.948 20 10 EFCDHN CC[N@H+](Cc1ccc(NS(C)(=O)=O)cc1)Cc1ccccc1[O-] ZINC001233268661 1312889592 /nfs/dbraw/zinc/88/95/92/1312889592.db2.gz SXGIKPKJJMHKGK-UHFFFAOYSA-N 0 3 334.441 2.786 20 10 EFCDHN CC[N@@H+](Cc1ccc(NS(C)(=O)=O)cc1)Cc1ccccc1[O-] ZINC001233268661 1312889596 /nfs/dbraw/zinc/88/95/96/1312889596.db2.gz SXGIKPKJJMHKGK-UHFFFAOYSA-N 0 3 334.441 2.786 20 10 EFCDHN CCOC(=O)c1c(CN2CCC[C@H](C)[C@H]2CO)c2ccccc2n1C ZINC001233270558 1312889995 /nfs/dbraw/zinc/88/99/95/1312889995.db2.gz RPKQSAARYZZOGB-KBXCAEBGSA-N 0 3 344.455 2.948 20 10 EFCDHN CCOC(=O)c1c(CN2CC[C@@]3(CCOC3)C2)c2ccccc2n1C ZINC001233270510 1312890107 /nfs/dbraw/zinc/89/01/07/1312890107.db2.gz PYYAKPGGBDWEFL-HXUWFJFHSA-N 0 3 342.439 2.967 20 10 EFCDHN CCOC(=O)c1c(CN2CC[C@@H](C)[C@H](O)CC2)c2ccccc2n1C ZINC001233270234 1312890297 /nfs/dbraw/zinc/89/02/97/1312890297.db2.gz FZTULVVWCXLZFH-RDTXWAMCSA-N 0 3 344.455 2.948 20 10 EFCDHN CCCN1CCN(Cc2c3ccccc3n(C)c2C(=O)OCC)CC1 ZINC001233272696 1312890680 /nfs/dbraw/zinc/89/06/80/1312890680.db2.gz WTVMNYGDGQYPLD-UHFFFAOYSA-N 0 3 343.471 2.883 20 10 EFCDHN CCOC(=O)c1c(CN2CC[C@H]3COC[C@@H]3C2)c2ccccc2n1C ZINC001233273371 1312891301 /nfs/dbraw/zinc/89/13/01/1312891301.db2.gz ZWBGCGCYJWXQIC-GJZGRUSLSA-N 0 3 342.439 2.823 20 10 EFCDHN COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1cc(Cl)cc(OC)c1[O-])C2 ZINC001233290192 1312896430 /nfs/dbraw/zinc/89/64/30/1312896430.db2.gz OACAPXDKZPLHHU-WDMOLILDSA-N 0 3 339.819 2.828 20 10 EFCDHN COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cc(Cl)cc(OC)c1[O-])C2 ZINC001233290192 1312896434 /nfs/dbraw/zinc/89/64/34/1312896434.db2.gz OACAPXDKZPLHHU-WDMOLILDSA-N 0 3 339.819 2.828 20 10 EFCDHN COC(=O)c1sccc1NC(=O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000879647308 1292216306 /nfs/dbraw/zinc/21/63/06/1292216306.db2.gz ANYKQBMXGPVLRI-SNVBAGLBSA-N 0 3 334.397 2.530 20 10 EFCDHN CCOc1ccc(OC[C@@H](O)C[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000879647949 1292216786 /nfs/dbraw/zinc/21/67/86/1292216786.db2.gz RZXFUGVZUINSAO-CABCVRRESA-N 0 3 331.412 2.881 20 10 EFCDHN COc1ccc(CN(C)C(=O)C[NH2+][C@H](C)c2ccccc2[O-])cc1F ZINC000879647694 1292217241 /nfs/dbraw/zinc/21/72/41/1292217241.db2.gz IJZOXOQGJVCFBP-CYBMUJFWSA-N 0 3 346.402 2.849 20 10 EFCDHN C[C@@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccccc1[O-] ZINC000879648181 1292217623 /nfs/dbraw/zinc/21/76/23/1292217623.db2.gz BYTXVZWOVGCZPY-GFCCVEGCSA-N 0 3 341.367 2.540 20 10 EFCDHN C[C@@H]([NH2+]CCCON1C(=O)c2ccccc2C1=O)c1ccccc1[O-] ZINC000879649339 1292217848 /nfs/dbraw/zinc/21/78/48/1292217848.db2.gz NRILKMBPMSFNEE-CYBMUJFWSA-N 0 3 340.379 2.661 20 10 EFCDHN C[C@@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccccc1[O-] ZINC000879648340 1292218126 /nfs/dbraw/zinc/21/81/26/1292218126.db2.gz KKLJUZBXNNIIIL-WBMJQRKESA-N 0 3 341.367 2.757 20 10 EFCDHN C[C@@H]([NH2+]CC(=O)Nc1ccc2c(c1)OCCCO2)c1ccccc1[O-] ZINC000879647971 1292218695 /nfs/dbraw/zinc/21/86/95/1292218695.db2.gz TWHOGZUBZQQBOP-CYBMUJFWSA-N 0 3 342.395 2.843 20 10 EFCDHN C[C@@H]([NH2+][C@H](C)c1ccccc1[O-])C(=O)Nc1ccc2c(c1)OCCO2 ZINC000879648760 1292218944 /nfs/dbraw/zinc/21/89/44/1292218944.db2.gz CRNXXZAFDOCOLJ-CHWSQXEVSA-N 0 3 342.395 2.841 20 10 EFCDHN C[C@@H](NCc1ccc(OCC(F)(F)F)nn1)c1ccccc1O ZINC000879649761 1292220504 /nfs/dbraw/zinc/22/05/04/1292220504.db2.gz GGEIIOFDGCIBID-SNVBAGLBSA-N 0 3 327.306 2.974 20 10 EFCDHN CC[C@@H]([NH2+]CC(=O)Nc1ccc2c(c1)OCCO2)c1ccccc1[O-] ZINC000775414023 1292323159 /nfs/dbraw/zinc/32/31/59/1292323159.db2.gz KQWXKQQEVCADOF-OAHLLOKOSA-N 0 3 342.395 2.843 20 10 EFCDHN Oc1cc(O)c(CN2CCC[C@H](Sc3ccncc3)C2)cc1O ZINC001233486026 1312940404 /nfs/dbraw/zinc/94/04/04/1312940404.db2.gz VDJGWVHIVPLWEX-AWEZNQCLSA-N 0 3 332.425 2.955 20 10 EFCDHN Oc1cc(O)c(CN2CCC[C@H](OCc3ccccc3)C2)cc1O ZINC001233486225 1312940793 /nfs/dbraw/zinc/94/07/93/1312940793.db2.gz DMPFOQHOURMGPZ-INIZCTEOSA-N 0 3 329.396 2.985 20 10 EFCDHN CC[C@@H]([NH2+]C[C@@H](C)N1CCN(C)CC1)c1cc(Cl)ccc1[O-] ZINC000775502209 1292787460 /nfs/dbraw/zinc/78/74/60/1292787460.db2.gz QHRILCPMGPSQSA-CZUORRHYSA-N 0 3 325.884 2.722 20 10 EFCDHN [O-]c1ccccc1C[NH+]1CCC2(CC1)CN(Cc1ccoc1)CCO2 ZINC001203551502 1312954022 /nfs/dbraw/zinc/95/40/22/1312954022.db2.gz GERZJEYAZKSGEP-UHFFFAOYSA-N 0 3 342.439 2.852 20 10 EFCDHN COc1ccccc1C(=O)NC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC001203560587 1312956271 /nfs/dbraw/zinc/95/62/71/1312956271.db2.gz DGWCOCXXILSSMY-UHFFFAOYSA-N 0 3 340.423 2.795 20 10 EFCDHN COCCOc1cccc(N2CC[NH+](Cc3ccccc3[O-])CC2)c1 ZINC001203558475 1312956284 /nfs/dbraw/zinc/95/62/84/1312956284.db2.gz IRUUCXDNVPJDKU-UHFFFAOYSA-N 0 3 342.439 2.740 20 10 EFCDHN COc1cc(C)nc(OC2CC[NH+](Cc3ccccc3[O-])CC2)n1 ZINC001203562533 1312956675 /nfs/dbraw/zinc/95/66/75/1312956675.db2.gz JLZCINNAWPRLJK-UHFFFAOYSA-N 0 3 329.400 2.543 20 10 EFCDHN O=C1c2cccc(F)c2CN1[C@@H]1CC[N@@H+](Cc2ccccc2[O-])C1 ZINC001203561810 1312956829 /nfs/dbraw/zinc/95/68/29/1312956829.db2.gz ZXMXPLSXDVLHSB-CQSZACIVSA-N 0 3 326.371 2.762 20 10 EFCDHN O=C1c2cccc(F)c2CN1[C@@H]1CC[N@H+](Cc2ccccc2[O-])C1 ZINC001203561810 1312956833 /nfs/dbraw/zinc/95/68/33/1312956833.db2.gz ZXMXPLSXDVLHSB-CQSZACIVSA-N 0 3 326.371 2.762 20 10 EFCDHN COc1cccc(CN2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)c1O ZINC001203589994 1312965169 /nfs/dbraw/zinc/96/51/69/1312965169.db2.gz PYAHYOPKFGTHLH-HIFRSBDPSA-N 0 3 348.443 2.842 20 10 EFCDHN COc1ccc(OC2CCN(Cc3cccc(OC)c3O)CC2)nc1 ZINC001203601690 1312967456 /nfs/dbraw/zinc/96/74/56/1312967456.db2.gz HFOLIWOSGOXYMT-UHFFFAOYSA-N 0 3 344.411 2.848 20 10 EFCDHN COc1cccc(CN2CCC[C@@H](Oc3nccc(C)n3)C2)c1O ZINC001203601568 1312967678 /nfs/dbraw/zinc/96/76/78/1312967678.db2.gz ANRIETHDWNIMPX-OAHLLOKOSA-N 0 3 329.400 2.543 20 10 EFCDHN CCOc1cccc(CN2CC[C@@H](C)[C@](O)(C(F)(F)F)C2)c1O ZINC001203602439 1312967929 /nfs/dbraw/zinc/96/79/29/1312967929.db2.gz XDJHODHTFNRWGL-ABAIWWIYSA-N 0 3 333.350 2.926 20 10 EFCDHN COc1cccc(CN2CCC(Oc3ccc(F)cn3)CC2)c1O ZINC001203601879 1312967963 /nfs/dbraw/zinc/96/79/63/1312967963.db2.gz PIJLRESYBMUUTL-UHFFFAOYSA-N 0 3 332.375 2.978 20 10 EFCDHN CCOc1cccc(CN2CCCN(C(=O)C3CCC3)CC2)c1O ZINC001203609390 1312970404 /nfs/dbraw/zinc/97/04/04/1312970404.db2.gz QEBUGGLWNBIKIT-UHFFFAOYSA-N 0 3 332.444 2.625 20 10 EFCDHN COc1ccc(C[NH+]2CCC3(CCC(=O)N3CC3CC3)CC2)c([O-])c1 ZINC001203623103 1312973784 /nfs/dbraw/zinc/97/37/84/1312973784.db2.gz IHVAPNVKXJSJFG-UHFFFAOYSA-N 0 3 344.455 2.768 20 10 EFCDHN COc1ccc(C[N@@H+]2CC[C@]3(CCCN3C(=O)C(C)C)C2)c([O-])c1 ZINC001203629951 1312975507 /nfs/dbraw/zinc/97/55/07/1312975507.db2.gz OJQQWPCJJNOSSX-LJQANCHMSA-N 0 3 332.444 2.624 20 10 EFCDHN COc1ccc(C[N@H+]2CC[C@]3(CCCN3C(=O)C(C)C)C2)c([O-])c1 ZINC001203629951 1312975511 /nfs/dbraw/zinc/97/55/11/1312975511.db2.gz OJQQWPCJJNOSSX-LJQANCHMSA-N 0 3 332.444 2.624 20 10 EFCDHN COc1ccc(C[NH+]2CCC3(CC(N4CCCC4)=NO3)CC2)c([O-])c1 ZINC001203629447 1312975684 /nfs/dbraw/zinc/97/56/84/1312975684.db2.gz KXDXIDYEADWMDI-UHFFFAOYSA-N 0 3 345.443 2.565 20 10 EFCDHN COc1ccc(C[N@@H+]2C[C@@H]3C[C@H](C(=O)NC4CCC4)C[C@@H]3C2)c([O-])c1 ZINC001203629458 1312975957 /nfs/dbraw/zinc/97/59/57/1312975957.db2.gz LDQOTTKXAFZLTK-PHZGNYQRSA-N 0 3 344.455 2.528 20 10 EFCDHN COc1ccc(C[N@H+]2C[C@@H]3C[C@H](C(=O)NC4CCC4)C[C@@H]3C2)c([O-])c1 ZINC001203629458 1312975959 /nfs/dbraw/zinc/97/59/59/1312975959.db2.gz LDQOTTKXAFZLTK-PHZGNYQRSA-N 0 3 344.455 2.528 20 10 EFCDHN COc1ccc(C[N@@H+]2CCC[C@@]3(CCCCN3C(C)=O)C2)c([O-])c1 ZINC001203630851 1312976097 /nfs/dbraw/zinc/97/60/97/1312976097.db2.gz XEIXWXUDDAPEBF-IBGZPJMESA-N 0 3 332.444 2.768 20 10 EFCDHN COc1ccc(C[N@H+]2CCC[C@@]3(CCCCN3C(C)=O)C2)c([O-])c1 ZINC001203630851 1312976099 /nfs/dbraw/zinc/97/60/99/1312976099.db2.gz XEIXWXUDDAPEBF-IBGZPJMESA-N 0 3 332.444 2.768 20 10 EFCDHN COc1ccc(C[NH+]2CCC3(CCCCN3C(C)=O)CC2)c([O-])c1 ZINC001203630883 1312976253 /nfs/dbraw/zinc/97/62/53/1312976253.db2.gz XNQHIQRQOPRQMT-UHFFFAOYSA-N 0 3 332.444 2.768 20 10 EFCDHN COc1ccc(C[N@H+](C)[C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c([O-])c1 ZINC001203634511 1312977082 /nfs/dbraw/zinc/97/70/82/1312977082.db2.gz JUHXPUNRCDJHPU-QLPKVWCKSA-N 0 3 348.443 2.698 20 10 EFCDHN COc1ccc(C[N@@H+](C)[C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c([O-])c1 ZINC001203634511 1312977085 /nfs/dbraw/zinc/97/70/85/1312977085.db2.gz JUHXPUNRCDJHPU-QLPKVWCKSA-N 0 3 348.443 2.698 20 10 EFCDHN COC(=O)[C@@H]1CCC[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])C1 ZINC001233726759 1312978495 /nfs/dbraw/zinc/97/84/95/1312978495.db2.gz HDBPKCPNYNCGGD-LLVKDONJSA-N 0 3 333.306 2.676 20 10 EFCDHN COC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])C1 ZINC001233726759 1312978497 /nfs/dbraw/zinc/97/84/97/1312978497.db2.gz HDBPKCPNYNCGGD-LLVKDONJSA-N 0 3 333.306 2.676 20 10 EFCDHN CCC[N@H+]1C[C@H]2CN(Cc3cc(Br)ccc3[O-])C[C@H]2C1 ZINC001203650618 1312981287 /nfs/dbraw/zinc/98/12/87/1312981287.db2.gz YAWTTYCXORBDHO-OKILXGFUSA-N 0 3 339.277 2.928 20 10 EFCDHN CCC[N@@H+]1C[C@H]2CN(Cc3cc(Br)ccc3[O-])C[C@H]2C1 ZINC001203650618 1312981291 /nfs/dbraw/zinc/98/12/91/1312981291.db2.gz YAWTTYCXORBDHO-OKILXGFUSA-N 0 3 339.277 2.928 20 10 EFCDHN Cc1noc([C@@H]2CC[N@H+](Cc3cccc(OC(F)(F)F)c3[O-])C2)n1 ZINC001233768219 1312987798 /nfs/dbraw/zinc/98/77/98/1312987798.db2.gz MLTBDYNBGXZZJX-LLVKDONJSA-N 0 3 343.305 2.972 20 10 EFCDHN Cc1noc([C@@H]2CC[N@@H+](Cc3cccc(OC(F)(F)F)c3[O-])C2)n1 ZINC001233768219 1312987800 /nfs/dbraw/zinc/98/78/00/1312987800.db2.gz MLTBDYNBGXZZJX-LLVKDONJSA-N 0 3 343.305 2.972 20 10 EFCDHN O=c1oc2ccc(CNCc3ccc(N4CCOCC4)cc3)cc2o1 ZINC000882915461 1293381590 /nfs/dbraw/zinc/38/15/90/1293381590.db2.gz QUPLLUVBHVKJRV-UHFFFAOYSA-N 0 3 340.379 2.512 20 10 EFCDHN C[NH+](C)CCOc1ccccc1CNCc1cc(F)cc(F)c1[O-] ZINC000882943525 1293395639 /nfs/dbraw/zinc/39/56/39/1293395639.db2.gz XGQUSAFWZBOLQZ-UHFFFAOYSA-N 0 3 336.382 2.901 20 10 EFCDHN [O-]c1c(F)cc(Cl)cc1C[NH+]1CCC(CN2CCOCC2)CC1 ZINC000775652181 1293903425 /nfs/dbraw/zinc/90/34/25/1293903425.db2.gz GJQOFBSESOXBFT-UHFFFAOYSA-N 0 3 342.842 2.729 20 10 EFCDHN CCOC(=O)[C@H]1CN(Cc2ccc(O)c(O)c2)C[C@H]2CCCC[C@@H]12 ZINC001203878867 1313039751 /nfs/dbraw/zinc/03/97/51/1313039751.db2.gz WDXWBUMREFPZOA-OAGGEKHMSA-N 0 3 333.428 2.899 20 10 EFCDHN CN(Cc1ccc(O)c(O)c1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001203878150 1313040007 /nfs/dbraw/zinc/04/00/07/1313040007.db2.gz PXEUYDUNIHMUCJ-AWEZNQCLSA-N 0 3 336.432 2.929 20 10 EFCDHN CN1CCN(c2ccc(CN3CCCC[C@@H]3c3ncc[nH]3)cc2)CC1 ZINC000775667292 1293990728 /nfs/dbraw/zinc/99/07/28/1293990728.db2.gz HUBHGGKBBUDXTR-LJQANCHMSA-N 0 3 339.487 2.889 20 10 EFCDHN COc1cc(O[C@@H]2CCN(Cc3ccc(N(C)C)cc3)C2)ccn1 ZINC001203937308 1313051680 /nfs/dbraw/zinc/05/16/80/1313051680.db2.gz UOZPMPITHDBBPY-GOSISDBHSA-N 0 3 327.428 2.810 20 10 EFCDHN COc1cc(C)nc(O[C@H]2CCN(Cc3ccc(N(C)C)cc3)C2)n1 ZINC001203936831 1313051835 /nfs/dbraw/zinc/05/18/35/1313051835.db2.gz OXIHDSUMJNUFJL-KRWDZBQOSA-N 0 3 342.443 2.513 20 10 EFCDHN COc1ccnc(O[C@H]2CCN(Cc3ccc(N(C)C)cc3)C2)c1 ZINC001203936864 1313051949 /nfs/dbraw/zinc/05/19/49/1313051949.db2.gz PXMZZPWWWYEFIO-SFHVURJKSA-N 0 3 327.428 2.810 20 10 EFCDHN NC(=O)C1CCN(c2ccc(CNCc3ccsc3)cc2)CC1 ZINC000886326002 1294856409 /nfs/dbraw/zinc/85/64/09/1294856409.db2.gz YZSWCLUYXMLDFS-UHFFFAOYSA-N 0 3 329.469 2.740 20 10 EFCDHN C[C@H](NCC(=O)N1CCc2ccccc2C1)c1ccc(N(C)C)cc1 ZINC000775829948 1294920451 /nfs/dbraw/zinc/92/04/51/1294920451.db2.gz BIICNPPOJGRZQX-INIZCTEOSA-N 0 3 337.467 2.988 20 10 EFCDHN CC(C)(C)OC(=O)N[C@@H]1CN(Cc2ccc(O)cc2O)CC12CC2 ZINC001204272027 1313112805 /nfs/dbraw/zinc/11/28/05/1313112805.db2.gz HOPWMTDAGUKOLA-OAHLLOKOSA-N 0 3 334.416 2.587 20 10 EFCDHN O=C1Nc2c(cccc2F)C12CC[NH+](Cc1ccc(O)cc1[O-])CC2 ZINC001204275273 1313113171 /nfs/dbraw/zinc/11/31/71/1313113171.db2.gz NPMXSPHGPREAJU-UHFFFAOYSA-N 0 3 342.370 2.723 20 10 EFCDHN O=C1Cc2ccccc2N1C1CC[NH+](Cc2ccc(O)cc2[O-])CC1 ZINC001204275305 1313113597 /nfs/dbraw/zinc/11/35/97/1313113597.db2.gz OKKUADFNPYWRJR-UHFFFAOYSA-N 0 3 338.407 2.652 20 10 EFCDHN CC(C)N(C)Cc1cnc2n1CCN(Cc1ccc(O)cc1O)[C@@H]2C ZINC001204273450 1313113742 /nfs/dbraw/zinc/11/37/42/1313113742.db2.gz BTGHHOLABWDANS-CQSZACIVSA-N 0 3 344.459 2.711 20 10 EFCDHN CC(C)(C)OC(=O)N1CC([C@H]2CC[N@H+](Cc3ccc(O)cc3[O-])C2)C1 ZINC001204276745 1313114308 /nfs/dbraw/zinc/11/43/08/1313114308.db2.gz PVDRDSYYBZYPFO-ZDUSSCGKSA-N 0 3 348.443 2.787 20 10 EFCDHN CC(C)(C)OC(=O)N1CC([C@H]2CC[N@@H+](Cc3ccc(O)cc3[O-])C2)C1 ZINC001204276745 1313114310 /nfs/dbraw/zinc/11/43/10/1313114310.db2.gz PVDRDSYYBZYPFO-ZDUSSCGKSA-N 0 3 348.443 2.787 20 10 EFCDHN CC(C)(C)OC(=O)N1CC[C@]12CC[N@H+](Cc1ccc(O)cc1[O-])C2 ZINC001204276052 1313114331 /nfs/dbraw/zinc/11/43/31/1313114331.db2.gz FCVGHIXEOOZPLV-SFHVURJKSA-N 0 3 334.416 2.683 20 10 EFCDHN CC(C)(C)OC(=O)N1CC[C@]12CC[N@@H+](Cc1ccc(O)cc1[O-])C2 ZINC001204276052 1313114332 /nfs/dbraw/zinc/11/43/32/1313114332.db2.gz FCVGHIXEOOZPLV-SFHVURJKSA-N 0 3 334.416 2.683 20 10 EFCDHN CC(C)(C)OC(=O)NCC1CC[NH+](Cc2ccc(O)cc2[O-])CC1 ZINC001204277018 1313114346 /nfs/dbraw/zinc/11/43/46/1313114346.db2.gz VZLWIAAGLDYCRH-UHFFFAOYSA-N 0 3 336.432 2.835 20 10 EFCDHN CC1(C)[N@H+](Cc2ccc(O)cc2[O-])CC[C@@]12C(=O)Oc1ccccc12 ZINC001204277488 1313114853 /nfs/dbraw/zinc/11/48/53/1313114853.db2.gz FCMRMJQDKHERNH-HXUWFJFHSA-N 0 3 339.391 2.939 20 10 EFCDHN CC1(C)[N@@H+](Cc2ccc(O)cc2[O-])CC[C@@]12C(=O)Oc1ccccc12 ZINC001204277488 1313114857 /nfs/dbraw/zinc/11/48/57/1313114857.db2.gz FCMRMJQDKHERNH-HXUWFJFHSA-N 0 3 339.391 2.939 20 10 EFCDHN CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(O)cc3[O-])C[C@@H]12 ZINC001204282714 1313115881 /nfs/dbraw/zinc/11/58/81/1313115881.db2.gz TZFDVEKIJOOPCH-DAXOMENPSA-N 0 3 348.443 2.833 20 10 EFCDHN CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(O)cc3[O-])C[C@@H]12 ZINC001204282714 1313115884 /nfs/dbraw/zinc/11/58/84/1313115884.db2.gz TZFDVEKIJOOPCH-DAXOMENPSA-N 0 3 348.443 2.833 20 10 EFCDHN C[C@@H](NCC(=O)NC(=O)NC1CCCCC1)c1ccc(N(C)C)cc1 ZINC000775835628 1294966009 /nfs/dbraw/zinc/96/60/09/1294966009.db2.gz HGEKZJFIQLSIMV-CQSZACIVSA-N 0 3 346.475 2.562 20 10 EFCDHN C[C@H](NCC(=O)NCc1ccccc1F)c1ccc(N(C)C)cc1 ZINC000775834306 1294979708 /nfs/dbraw/zinc/97/97/08/1294979708.db2.gz QTRDBWYETDJHJG-AWEZNQCLSA-N 0 3 329.419 2.859 20 10 EFCDHN COc1cc(Br)cc(CN2CC[C@@H](C)[C@@](C)(O)C2)c1O ZINC001204336383 1313125134 /nfs/dbraw/zinc/12/51/34/1313125134.db2.gz MPJOOQGJKOCYNQ-BMIGLBTASA-N 0 3 344.249 2.756 20 10 EFCDHN COc1cc(Br)cc(CN2CCC[C@@H](O)[C@@H](C)C2)c1O ZINC001204335858 1313125251 /nfs/dbraw/zinc/12/52/51/1313125251.db2.gz AWOOIAHPLLMLCR-GXFFZTMASA-N 0 3 344.249 2.756 20 10 EFCDHN COc1cc(CN2C[C@@H]3CN(c4ccccc4)C[C@H]3C2)cc(O)c1O ZINC001204349854 1313127279 /nfs/dbraw/zinc/12/72/79/1313127279.db2.gz COJXPDGZDXWASD-HZPDHXFCSA-N 0 3 340.423 2.675 20 10 EFCDHN CCCN(CCN(C)C)C(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000104530851 1295108040 /nfs/dbraw/zinc/10/80/40/1295108040.db2.gz OIUDDDPYITXVMX-UHFFFAOYSA-N 0 3 328.460 2.903 20 10 EFCDHN CN1C(=O)C[C@]2(CCC[N@H+](Cc3c([O-])ccc4ccccc43)C2)C1=O ZINC001273770947 1295217336 /nfs/dbraw/zinc/21/73/36/1295217336.db2.gz XWIONEPMBVEADO-FQEVSTJZSA-N 0 3 338.407 2.516 20 10 EFCDHN CN1C(=O)C[C@]2(CCC[N@@H+](Cc3c([O-])ccc4ccccc43)C2)C1=O ZINC001273770947 1295217344 /nfs/dbraw/zinc/21/73/44/1295217344.db2.gz XWIONEPMBVEADO-FQEVSTJZSA-N 0 3 338.407 2.516 20 10 EFCDHN COc1ccc2ccc([O-])c(C[NH+]3CC4(C3)CCN(C(C)=O)C4)c2c1 ZINC001234544711 1313151886 /nfs/dbraw/zinc/15/18/86/1313151886.db2.gz LUIGVVZBGLXSQM-UHFFFAOYSA-N 0 3 340.423 2.608 20 10 EFCDHN COc1ccc2ccc([O-])c(C[NH+]3CCC(C)(C(N)=O)CC3)c2c1 ZINC001234553133 1313155283 /nfs/dbraw/zinc/15/52/83/1313155283.db2.gz WEEOLDWVXPKNKY-UHFFFAOYSA-N 0 3 328.412 2.641 20 10 EFCDHN COc1cc(Br)cc(CN2C[C@@H](C)N(C)C[C@@H]2C)c1O ZINC000775984899 1295563093 /nfs/dbraw/zinc/56/30/93/1295563093.db2.gz HSMNOIJVXHEHBM-MNOVXSKESA-N 0 3 343.265 2.688 20 10 EFCDHN COc1cc(Br)cc(CN2CCN(C)[C@H](C)[C@H]2C)c1O ZINC000775987821 1295590085 /nfs/dbraw/zinc/59/00/85/1295590085.db2.gz WKWMKZRNTSUNMA-GHMZBOCLSA-N 0 3 343.265 2.688 20 10 EFCDHN CCC[C@H](CC(=O)OC)Oc1ccc(N2CCN(CC)CC2)cc1 ZINC001234658246 1313179368 /nfs/dbraw/zinc/17/93/68/1313179368.db2.gz YMXAXXMFWCOFHB-GOSISDBHSA-N 0 3 334.460 2.939 20 10 EFCDHN CCN1CCN(c2ccc(OC[C@H](C)OC[C@@H](C)OC)cc2)CC1 ZINC001234661927 1313179907 /nfs/dbraw/zinc/17/99/07/1313179907.db2.gz XKKILFXHJIBXLJ-SJORKVTESA-N 0 3 336.476 2.647 20 10 EFCDHN CCN1CCN(c2ccc(O[C@H]3COc4cnccc43)cc2)CC1 ZINC001234661528 1313180041 /nfs/dbraw/zinc/18/00/41/1313180041.db2.gz ULVYZYINVDDQRD-IBGZPJMESA-N 0 3 325.412 2.736 20 10 EFCDHN COc1cc(C)c(C[N@@H+]2CC[C@]3(CCN(CC(C)C)C3=O)C2)c([O-])c1 ZINC001274660364 1296131353 /nfs/dbraw/zinc/13/13/53/1296131353.db2.gz JVLBOXBFTIXUSB-FQEVSTJZSA-N 0 3 346.471 2.790 20 10 EFCDHN COc1cc(C)c(C[N@H+]2CC[C@]3(CCN(CC(C)C)C3=O)C2)c([O-])c1 ZINC001274660364 1296131358 /nfs/dbraw/zinc/13/13/58/1296131358.db2.gz JVLBOXBFTIXUSB-FQEVSTJZSA-N 0 3 346.471 2.790 20 10 EFCDHN COc1cc(C)c(C[N@@H+]2CC[C@@]3(CCN(CC(C)C)C3=O)C2)c([O-])c1 ZINC001274660365 1296131410 /nfs/dbraw/zinc/13/14/10/1296131410.db2.gz JVLBOXBFTIXUSB-HXUWFJFHSA-N 0 3 346.471 2.790 20 10 EFCDHN COc1cc(C)c(C[N@H+]2CC[C@@]3(CCN(CC(C)C)C3=O)C2)c([O-])c1 ZINC001274660365 1296131412 /nfs/dbraw/zinc/13/14/12/1296131412.db2.gz JVLBOXBFTIXUSB-HXUWFJFHSA-N 0 3 346.471 2.790 20 10 EFCDHN CNC(=O)N[C@H]1CCC[N@H+](Cc2cccc(-c3ccccc3)c2[O-])C1 ZINC001234998699 1313219557 /nfs/dbraw/zinc/21/95/57/1313219557.db2.gz NCKVHZLQDBVRHL-KRWDZBQOSA-N 0 3 339.439 2.953 20 10 EFCDHN CNC(=O)N[C@H]1CCC[N@@H+](Cc2cccc(-c3ccccc3)c2[O-])C1 ZINC001234998699 1313219562 /nfs/dbraw/zinc/21/95/62/1313219562.db2.gz NCKVHZLQDBVRHL-KRWDZBQOSA-N 0 3 339.439 2.953 20 10 EFCDHN C[C@@]1(CO)CC[N@H+](Cc2cccc(-c3ccccc3)c2[O-])C[C@@H]1O ZINC001234997785 1313219676 /nfs/dbraw/zinc/21/96/76/1313219676.db2.gz DZNRGUNWWMFVOJ-ICSRJNTNSA-N 0 3 327.424 2.624 20 10 EFCDHN C[C@@]1(CO)CC[N@@H+](Cc2cccc(-c3ccccc3)c2[O-])C[C@@H]1O ZINC001234997785 1313219679 /nfs/dbraw/zinc/21/96/79/1313219679.db2.gz DZNRGUNWWMFVOJ-ICSRJNTNSA-N 0 3 327.424 2.624 20 10 EFCDHN O=C(Cc1ccsc1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3[O-])[C@@H]2C1 ZINC001275267078 1296246179 /nfs/dbraw/zinc/24/61/79/1296246179.db2.gz XZVZXDJHIZPRKX-DOTOQJQBSA-N 0 3 342.464 2.729 20 10 EFCDHN O=C(Cc1ccsc1)N1C[C@@H]2CC[N@H+](Cc3ccccc3[O-])[C@@H]2C1 ZINC001275267078 1296246182 /nfs/dbraw/zinc/24/61/82/1296246182.db2.gz XZVZXDJHIZPRKX-DOTOQJQBSA-N 0 3 342.464 2.729 20 10 EFCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@]2(CCN(Cc3cn[nH]c3)C2)C1 ZINC001275267474 1296246444 /nfs/dbraw/zinc/24/64/44/1296246444.db2.gz PIGMONUSOJXQGB-IBGZPJMESA-N 0 3 326.444 2.603 20 10 EFCDHN [O-]c1ccccc1C[N@H+]1CCC[C@]2(CCN(Cc3cn[nH]c3)C2)C1 ZINC001275267474 1296246451 /nfs/dbraw/zinc/24/64/51/1296246451.db2.gz PIGMONUSOJXQGB-IBGZPJMESA-N 0 3 326.444 2.603 20 10 EFCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@@]2(CCCN(Cc3cn[nH]c3)C2)C1 ZINC001275267197 1296246856 /nfs/dbraw/zinc/24/68/56/1296246856.db2.gz KWCPPUIGURZURL-HXUWFJFHSA-N 0 3 340.471 2.994 20 10 EFCDHN [O-]c1ccccc1C[N@H+]1CCC[C@@]2(CCCN(Cc3cn[nH]c3)C2)C1 ZINC001275267197 1296246862 /nfs/dbraw/zinc/24/68/62/1296246862.db2.gz KWCPPUIGURZURL-HXUWFJFHSA-N 0 3 340.471 2.994 20 10 EFCDHN O=c1cccc(CN2CC3(C2)CCC[N@@H+](Cc2ccccc2[O-])C3)[nH]1 ZINC001275266963 1296247514 /nfs/dbraw/zinc/24/75/14/1296247514.db2.gz HJQZUCJZPHOAMY-UHFFFAOYSA-N 0 3 339.439 2.591 20 10 EFCDHN O=c1cccc(CN2CC3(C2)CCC[N@H+](Cc2ccccc2[O-])C3)[nH]1 ZINC001275266963 1296247525 /nfs/dbraw/zinc/24/75/25/1296247525.db2.gz HJQZUCJZPHOAMY-UHFFFAOYSA-N 0 3 339.439 2.591 20 10 EFCDHN Cc1ccc(C)n1-c1ccc(O)c(C(=O)N2CC[C@H]3[C@@H]2CCN3C)c1 ZINC001275408673 1296271929 /nfs/dbraw/zinc/27/19/29/1296271929.db2.gz PKFFBDVQLSHZHX-ROUUACIJSA-N 0 3 339.439 2.718 20 10 EFCDHN CN(C)c1ccc(CN(C)Cc2ccccc2NS(C)(=O)=O)cc1 ZINC001235143811 1313251723 /nfs/dbraw/zinc/25/17/23/1313251723.db2.gz IIVNIEDJPLRWKV-UHFFFAOYSA-N 0 3 347.484 2.756 20 10 EFCDHN COc1cc([O-])c(CN2CCC[C@](C)([NH3+])CC2)c(Br)c1 ZINC001205288126 1313264751 /nfs/dbraw/zinc/26/47/51/1313264751.db2.gz GNDCSDPAXQBCNJ-HNNXBMFYSA-N 0 3 343.265 2.867 20 10 EFCDHN COc1cc([O-])c(CN2CC[NH2+]C[C@H]2C(C)C)c(Br)c1 ZINC001235457175 1313327721 /nfs/dbraw/zinc/32/77/21/1313327721.db2.gz AENXTMWMTHTWJN-AWEZNQCLSA-N 0 3 343.265 2.593 20 10 EFCDHN Cc1cc([O-])c(CN2CC[NH2+][C@H](C(C)C)C2)cc1Br ZINC001235475478 1313332601 /nfs/dbraw/zinc/33/26/01/1313332601.db2.gz QPYQHOUMSRLILF-AWEZNQCLSA-N 0 3 327.266 2.893 20 10 EFCDHN Cc1cc(CN2CC[NH2+][C@H](C(C)C)C2)c([O-])cc1Br ZINC001235480366 1313333598 /nfs/dbraw/zinc/33/35/98/1313333598.db2.gz TYDSJHCTQAVFLM-AWEZNQCLSA-N 0 3 327.266 2.893 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=O)Nc2cccnc2)N(C)C)cc1 ZINC000929757750 1297204938 /nfs/dbraw/zinc/20/49/38/1297204938.db2.gz LAZKCWMLOJOVRL-QGZVFWFLSA-N 0 3 327.432 2.572 20 10 EFCDHN CN(C)C(=O)NC1CC[NH+](Cc2ccc(C(C)(C)C)cc2[O-])CC1 ZINC001235680143 1313373346 /nfs/dbraw/zinc/37/33/46/1313373346.db2.gz IVVLDQWBYAJAKK-UHFFFAOYSA-N 0 3 333.476 2.925 20 10 EFCDHN [O-]c1cc(O)c(CN2CC[NH2+]C[C@H]2Cc2ccccc2)cc1Cl ZINC001235849807 1313409298 /nfs/dbraw/zinc/40/92/98/1313409298.db2.gz NZBKFFVKRKHSSS-OAHLLOKOSA-N 0 3 332.831 2.768 20 10 EFCDHN CCC[C@H]1CN(Cc2cc(Br)c(OC)cc2[O-])CC[NH2+]1 ZINC001236177988 1313452244 /nfs/dbraw/zinc/45/22/44/1313452244.db2.gz IEMTWINZCIRRTD-LBPRGKRZSA-N 0 3 343.265 2.737 20 10 EFCDHN COc1cc([O-])c(CN(C)[C@@H]2CCCC[C@H]2[NH3+])c(Br)c1 ZINC001236218063 1313457373 /nfs/dbraw/zinc/45/73/73/1313457373.db2.gz RHJYNBXHBADNNY-ZIAGYGMSSA-N 0 3 343.265 2.865 20 10 EFCDHN CCN(CC)c1ccc(CNC(=O)NCCCc2cn[nH]c2C)cc1 ZINC000079965981 1298419290 /nfs/dbraw/zinc/41/92/90/1298419290.db2.gz SQMPHDLZHBAAHT-UHFFFAOYSA-N 0 3 343.475 2.996 20 10 EFCDHN Cc1cc(Br)c([O-])c(CN2C[C@H]3CCC[N@@H+](C)[C@H]3C2)c1 ZINC001236668653 1313506673 /nfs/dbraw/zinc/50/66/73/1313506673.db2.gz DJCZDRKOQYXPCO-DOMZBBRYSA-N 0 3 339.277 2.989 20 10 EFCDHN Cc1cc(Br)c([O-])c(CN2C[C@H]3CCC[N@H+](C)[C@H]3C2)c1 ZINC001236668653 1313506677 /nfs/dbraw/zinc/50/66/77/1313506677.db2.gz DJCZDRKOQYXPCO-DOMZBBRYSA-N 0 3 339.277 2.989 20 10 EFCDHN Cc1cc(Br)c([O-])c(C[N@H+]2C[C@H]3CCCN(C)[C@H]3C2)c1 ZINC001236668653 1313506681 /nfs/dbraw/zinc/50/66/81/1313506681.db2.gz DJCZDRKOQYXPCO-DOMZBBRYSA-N 0 3 339.277 2.989 20 10 EFCDHN Cc1cc(Br)c([O-])c(C[N@@H+]2C[C@H]3CCCN(C)[C@H]3C2)c1 ZINC001236668653 1313506684 /nfs/dbraw/zinc/50/66/84/1313506684.db2.gz DJCZDRKOQYXPCO-DOMZBBRYSA-N 0 3 339.277 2.989 20 10 EFCDHN COC[C@H]1CC[N@H+](Cc2cc(OC)c(Br)cc2[O-])C1 ZINC001236748188 1313520888 /nfs/dbraw/zinc/52/08/88/1313520888.db2.gz MYAOTGZYIOLJIC-JTQLQIEISA-N 0 3 330.222 2.632 20 10 EFCDHN COC[C@H]1CC[N@@H+](Cc2cc(OC)c(Br)cc2[O-])C1 ZINC001236748188 1313520891 /nfs/dbraw/zinc/52/08/91/1313520891.db2.gz MYAOTGZYIOLJIC-JTQLQIEISA-N 0 3 330.222 2.632 20 10 EFCDHN COc1cc(O)c(CN2CCC3(CC(F)(F)CO3)CC2)cc1OC ZINC001236750789 1313521606 /nfs/dbraw/zinc/52/16/06/1313521606.db2.gz YMPNPOSISKKSQU-UHFFFAOYSA-N 0 3 343.370 2.800 20 10 EFCDHN COc1cc(O)c(CN2CCCC[C@](O)(C(F)(F)F)C2)cc1OC ZINC001236750077 1313522002 /nfs/dbraw/zinc/52/20/02/1313522002.db2.gz OAPNSOAFWOHVJO-OAHLLOKOSA-N 0 3 349.349 2.689 20 10 EFCDHN CCN1CCN(Cc2cc(OC)c(Br)cc2O)[C@H](C)C1 ZINC001236751614 1313522279 /nfs/dbraw/zinc/52/22/79/1313522279.db2.gz UQQCBIXIVJITIX-LLVKDONJSA-N 0 3 343.265 2.689 20 10 EFCDHN COc1cc(CN2CC[C@H]3OCC[C@H]3C2)c(O)cc1Br ZINC001236756078 1313522910 /nfs/dbraw/zinc/52/29/10/1313522910.db2.gz IJYCGBVKMGDLMU-IINYFYTJSA-N 0 3 342.233 2.774 20 10 EFCDHN Oc1cc(CN2CCN(C3CCC3)CC2)c(O)cc1Br ZINC001236773708 1313525721 /nfs/dbraw/zinc/52/57/21/1313525721.db2.gz SLJJYOLRXACUPN-UHFFFAOYSA-N 0 3 341.249 2.530 20 10 EFCDHN [O-]c1cc(CN2CC[C@@H]([NH+]3CCCC3)C2)c(O)cc1Br ZINC001236776614 1313526481 /nfs/dbraw/zinc/52/64/81/1313526481.db2.gz YNZHBUCUMYJBBN-GFCCVEGCSA-N 0 3 341.249 2.530 20 10 EFCDHN CCc1ccc(C[N@@H+]2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC2)c([O-])c1 ZINC001236788141 1313529681 /nfs/dbraw/zinc/52/96/81/1313529681.db2.gz RXSBJBJMLOIYBR-ROUUACIJSA-N 0 3 328.456 2.930 20 10 EFCDHN CCc1ccc(C[N@H+]2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC2)c([O-])c1 ZINC001236788141 1313529684 /nfs/dbraw/zinc/52/96/84/1313529684.db2.gz RXSBJBJMLOIYBR-ROUUACIJSA-N 0 3 328.456 2.930 20 10 EFCDHN COc1cc(C)c(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)OC(C)(C)C)c([O-])c1 ZINC001236807655 1313533199 /nfs/dbraw/zinc/53/31/99/1313533199.db2.gz HVFASWXQFGXPKW-QLPKVWCKSA-N 0 3 348.443 2.664 20 10 EFCDHN COc1cc(C)c(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)OC(C)(C)C)c([O-])c1 ZINC001236807655 1313533202 /nfs/dbraw/zinc/53/32/02/1313533202.db2.gz HVFASWXQFGXPKW-QLPKVWCKSA-N 0 3 348.443 2.664 20 10 EFCDHN COC(=O)[C@@H]1COCCC12C[NH+](Cc1cc3ccccc3cc1[O-])C2 ZINC001236831200 1313537784 /nfs/dbraw/zinc/53/77/84/1313537784.db2.gz GASZGODEZDEOGK-KRWDZBQOSA-N 0 3 341.407 2.557 20 10 EFCDHN O=C1OCCN1C1CC[NH+](Cc2cc3ccccc3cc2[O-])CC1 ZINC001236834420 1313538829 /nfs/dbraw/zinc/53/88/29/1313538829.db2.gz YQPJSAKOYZINAY-UHFFFAOYSA-N 0 3 326.396 2.962 20 10 EFCDHN CN(C)C(=O)NC1CC[NH+](Cc2cc3ccccc3cc2[O-])CC1 ZINC001236836602 1313539119 /nfs/dbraw/zinc/53/91/19/1313539119.db2.gz LJYVUNWYCAUAMW-UHFFFAOYSA-N 0 3 327.428 2.781 20 10 EFCDHN Cc1cc(N2CC[NH+](Cc3cc4ccccc4cc3[O-])CC2)ncn1 ZINC001236836152 1313539356 /nfs/dbraw/zinc/53/93/56/1313539356.db2.gz YJRFTPHSCUZNHX-UHFFFAOYSA-N 0 3 334.423 2.966 20 10 EFCDHN Cc1cc(N2CCN(Cc3cc4ccccc4cc3O)CC2)ncn1 ZINC001236836152 1313539360 /nfs/dbraw/zinc/53/93/60/1313539360.db2.gz YJRFTPHSCUZNHX-UHFFFAOYSA-N 0 3 334.423 2.966 20 10 EFCDHN CC(C)(C)OC(=O)N1CCOc2cc(O)c(CN3CCC3)cc2C1 ZINC001236843990 1313541523 /nfs/dbraw/zinc/54/15/23/1313541523.db2.gz VTFUHJOPJVVNHL-UHFFFAOYSA-N 0 3 334.416 2.727 20 10 EFCDHN CC(C)(C)OC(=O)N1CCOc2cc([O-])c(C[NH+]3CCC3)cc2C1 ZINC001236843990 1313541526 /nfs/dbraw/zinc/54/15/26/1313541526.db2.gz VTFUHJOPJVVNHL-UHFFFAOYSA-N 0 3 334.416 2.727 20 10 EFCDHN C[C@H]1CC[C@H](CO)CN1Cc1ccc(N2CCOCC2)cc1Cl ZINC001236920904 1313552706 /nfs/dbraw/zinc/55/27/06/1313552706.db2.gz APOHRSLVMJJLGX-GJZGRUSLSA-N 0 3 338.879 2.769 20 10 EFCDHN C[C@@H]1CCN(Cc2ccc(N3CCOCC3)cc2Cl)C[C@]1(C)O ZINC001236921407 1313553513 /nfs/dbraw/zinc/55/35/13/1313553513.db2.gz GAWXFGRMFXCDBO-KDOFPFPSSA-N 0 3 338.879 2.769 20 10 EFCDHN C[C@@H]1CN(C)[C@@H](C)CN1Cc1ccc(N2CCOCC2)cc1Cl ZINC001236920991 1313553532 /nfs/dbraw/zinc/55/35/32/1313553532.db2.gz BNHCCVKTFJHEBO-LSDHHAIUSA-N 0 3 337.895 2.701 20 10 EFCDHN Clc1cc(N2CCOCC2)ccc1CN1CCN2CCCC[C@@H]2C1 ZINC001236922975 1313553896 /nfs/dbraw/zinc/55/38/96/1313553896.db2.gz WEABMQCFIDGSJL-GOSISDBHSA-N 0 3 349.906 2.847 20 10 EFCDHN O=C1CCC[C@@H]2CN(Cc3ccc(N4CCOCC4)cc3Cl)C[C@@H]12 ZINC001236926847 1313554852 /nfs/dbraw/zinc/55/48/52/1313554852.db2.gz NVNFPFCSWYRJGZ-RHSMWYFYSA-N 0 3 348.874 2.978 20 10 EFCDHN O=C1CCC[C@H]2CN(Cc3ccc(N4CCOCC4)cc3Cl)C[C@H]12 ZINC001236926849 1313554898 /nfs/dbraw/zinc/55/48/98/1313554898.db2.gz NVNFPFCSWYRJGZ-YOEHRIQHSA-N 0 3 348.874 2.978 20 10 EFCDHN CCN1CCN(Cc2ccc(N3CCOCC3)cc2Cl)[C@H](C)C1 ZINC001236927781 1313555061 /nfs/dbraw/zinc/55/50/61/1313555061.db2.gz WTMUZPXFOGREIO-OAHLLOKOSA-N 0 3 337.895 2.703 20 10 EFCDHN COCCCN(Cc1ccc(C(F)(F)F)cc1[O-])[C@H]1CC[NH2+]C1 ZINC001236949311 1313559720 /nfs/dbraw/zinc/55/97/20/1313559720.db2.gz YKVKBWQVWYULMB-AWEZNQCLSA-N 0 3 332.366 2.611 20 10 EFCDHN Oc1cc(C(F)(F)F)ccc1CN1CCNC[C@H]1C(F)(F)F ZINC001236982993 1313565859 /nfs/dbraw/zinc/56/58/59/1313565859.db2.gz UJQTVRGIFXDKIT-NSHDSACASA-N 0 3 328.256 2.747 20 10 EFCDHN CCOc1ccc(CN2CC[C@@](O)(C(F)(F)F)[C@@H](C)C2)c(O)c1 ZINC001237048948 1313576095 /nfs/dbraw/zinc/57/60/95/1313576095.db2.gz BPYLANKZZXFYBF-NHYWBVRUSA-N 0 3 333.350 2.926 20 10 EFCDHN CCOc1ccc(C[N@@H+]2CC[C@@](O)(C(F)(F)F)[C@@H](C)C2)c([O-])c1 ZINC001237048948 1313576099 /nfs/dbraw/zinc/57/60/99/1313576099.db2.gz BPYLANKZZXFYBF-NHYWBVRUSA-N 0 3 333.350 2.926 20 10 EFCDHN CCOc1ccc(C[N@H+]2CC[C@@](O)(C(F)(F)F)[C@@H](C)C2)c([O-])c1 ZINC001237048948 1313576101 /nfs/dbraw/zinc/57/61/01/1313576101.db2.gz BPYLANKZZXFYBF-NHYWBVRUSA-N 0 3 333.350 2.926 20 10 EFCDHN CCOc1ccc(C[N@@H+]2CCC[C@@]3(CCN(CC)C3=O)C2)c([O-])c1 ZINC001237040597 1313573671 /nfs/dbraw/zinc/57/36/71/1313573671.db2.gz IFEICTQZHUJEHM-LJQANCHMSA-N 0 3 332.444 2.625 20 10 EFCDHN CCOc1ccc(C[N@H+]2CCC[C@@]3(CCN(CC)C3=O)C2)c([O-])c1 ZINC001237040597 1313573674 /nfs/dbraw/zinc/57/36/74/1313573674.db2.gz IFEICTQZHUJEHM-LJQANCHMSA-N 0 3 332.444 2.625 20 10 EFCDHN CCOc1ccc(CN2CCCC[C@H]2C(=O)N2CCCC2)c(O)c1 ZINC001237041407 1313574144 /nfs/dbraw/zinc/57/41/44/1313574144.db2.gz IIJACLVOBDXRNR-KRWDZBQOSA-N 0 3 332.444 2.768 20 10 EFCDHN CCOc1ccc(C[NH+]2CCC(NC(=O)CC(C)C)CC2)c([O-])c1 ZINC001237041927 1313574335 /nfs/dbraw/zinc/57/43/35/1313574335.db2.gz QLAYQBCEMXAWJT-UHFFFAOYSA-N 0 3 334.460 2.918 20 10 EFCDHN CCOc1ccc(C[N@@H+]2CCC[C@@H](Oc3ncccn3)C2)c([O-])c1 ZINC001237046500 1313575190 /nfs/dbraw/zinc/57/51/90/1313575190.db2.gz DCIASTRWRNWYFP-MRXNPFEDSA-N 0 3 329.400 2.624 20 10 EFCDHN CCOc1ccc(C[N@H+]2CCC[C@@H](Oc3ncccn3)C2)c([O-])c1 ZINC001237046500 1313575193 /nfs/dbraw/zinc/57/51/93/1313575193.db2.gz DCIASTRWRNWYFP-MRXNPFEDSA-N 0 3 329.400 2.624 20 10 EFCDHN CCOc1ccc(C[N@@H+]2CCCN(c3cccnc3)CC2)c([O-])c1 ZINC001237046495 1313575281 /nfs/dbraw/zinc/57/52/81/1313575281.db2.gz DAEAMPFNGCQLGC-UHFFFAOYSA-N 0 3 327.428 2.898 20 10 EFCDHN CCOc1ccc(C[N@H+]2CCCN(c3cccnc3)CC2)c([O-])c1 ZINC001237046495 1313575284 /nfs/dbraw/zinc/57/52/84/1313575284.db2.gz DAEAMPFNGCQLGC-UHFFFAOYSA-N 0 3 327.428 2.898 20 10 EFCDHN CC[NH+](CC)CCN(C)Cc1c([O-])cc(OC)cc1Br ZINC001237064254 1313580119 /nfs/dbraw/zinc/58/01/19/1313580119.db2.gz YTDXFGDWWNEHKC-UHFFFAOYSA-N 0 3 345.281 2.937 20 10 EFCDHN Oc1ccc(Cl)c(Cl)c1CN1CCN(C[C@H]2CCCO2)CC1 ZINC001237081459 1313584110 /nfs/dbraw/zinc/58/41/10/1313584110.db2.gz LFOWHLBDKDXRKE-GFCCVEGCSA-N 0 3 345.270 2.996 20 10 EFCDHN COC[C@@H]1Cn2nccc2CN(Cc2ccc(C(C)C)cc2O)C1 ZINC001237052555 1313576663 /nfs/dbraw/zinc/57/66/63/1313576663.db2.gz BPTSOULVDHYQBK-HNNXBMFYSA-N 0 3 329.444 2.991 20 10 EFCDHN CC(C)c1ccc(CN2CCCC[C@H]2C(=O)N2CCOCC2)c(O)c1 ZINC001237053402 1313576782 /nfs/dbraw/zinc/57/67/82/1313576782.db2.gz LFROQZNAWNGVJR-SFHVURJKSA-N 0 3 346.471 2.729 20 10 EFCDHN C[C@H]1CCC[N@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])[C@@H]1CO ZINC001237053751 1313576922 /nfs/dbraw/zinc/57/69/22/1313576922.db2.gz PAQADMQJHZZEOV-SMDDNHRTSA-N 0 3 333.350 2.926 20 10 EFCDHN C[C@H]1CCC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])[C@@H]1CO ZINC001237053751 1313576926 /nfs/dbraw/zinc/57/69/26/1313576926.db2.gz PAQADMQJHZZEOV-SMDDNHRTSA-N 0 3 333.350 2.926 20 10 EFCDHN COC(=O)[C@@H]1CCC[N@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])C1 ZINC001237051783 1313577267 /nfs/dbraw/zinc/57/72/67/1313577267.db2.gz QOWKRDHKDGDOIK-GFCCVEGCSA-N 0 3 347.333 2.718 20 10 EFCDHN COC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])C1 ZINC001237051783 1313577270 /nfs/dbraw/zinc/57/72/70/1313577270.db2.gz QOWKRDHKDGDOIK-GFCCVEGCSA-N 0 3 347.333 2.718 20 10 EFCDHN C[C@@H]1CC[C@@H](CO)C[N@@H+]1Cc1ccc(OCC(F)(F)F)cc1[O-] ZINC001237054028 1313577521 /nfs/dbraw/zinc/57/75/21/1313577521.db2.gz SVMGBJGROJCIAU-VXGBXAGGSA-N 0 3 333.350 2.926 20 10 EFCDHN C[C@@H]1CC[C@@H](CO)C[N@H+]1Cc1ccc(OCC(F)(F)F)cc1[O-] ZINC001237054028 1313577523 /nfs/dbraw/zinc/57/75/23/1313577523.db2.gz SVMGBJGROJCIAU-VXGBXAGGSA-N 0 3 333.350 2.926 20 10 EFCDHN CCOC(=O)[C@@H]1CC[N@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])C1 ZINC001237056782 1313577692 /nfs/dbraw/zinc/57/76/92/1313577692.db2.gz OLUJGHKCJOKFNT-GFCCVEGCSA-N 0 3 347.333 2.718 20 10 EFCDHN CCOC(=O)[C@@H]1CC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])C1 ZINC001237056782 1313577696 /nfs/dbraw/zinc/57/76/96/1313577696.db2.gz OLUJGHKCJOKFNT-GFCCVEGCSA-N 0 3 347.333 2.718 20 10 EFCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@@H+]1CC[C@@H]2OCC[C@H]2C1 ZINC001237057351 1313577929 /nfs/dbraw/zinc/57/79/29/1313577929.db2.gz BNBYWWQSMGXMPD-WFASDCNBSA-N 0 3 331.334 2.944 20 10 EFCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@H+]1CC[C@@H]2OCC[C@H]2C1 ZINC001237057351 1313577932 /nfs/dbraw/zinc/57/79/32/1313577932.db2.gz BNBYWWQSMGXMPD-WFASDCNBSA-N 0 3 331.334 2.944 20 10 EFCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@H+]1CCC[C@@H](CO)CC1 ZINC001237053788 1313577983 /nfs/dbraw/zinc/57/79/83/1313577983.db2.gz QMTUADAZYMXLQJ-GFCCVEGCSA-N 0 3 333.350 2.928 20 10 EFCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@@H+]1CCC[C@@H](CO)CC1 ZINC001237053788 1313577986 /nfs/dbraw/zinc/57/79/86/1313577986.db2.gz QMTUADAZYMXLQJ-GFCCVEGCSA-N 0 3 333.350 2.928 20 10 EFCDHN C[C@H]1CC[C@@H](CO)C[N@@H+]1Cc1ccc(OCC(F)(F)F)cc1[O-] ZINC001237054026 1313578111 /nfs/dbraw/zinc/57/81/11/1313578111.db2.gz SVMGBJGROJCIAU-NWDGAFQWSA-N 0 3 333.350 2.926 20 10 EFCDHN C[C@H]1CC[C@@H](CO)C[N@H+]1Cc1ccc(OCC(F)(F)F)cc1[O-] ZINC001237054026 1313578115 /nfs/dbraw/zinc/57/81/15/1313578115.db2.gz SVMGBJGROJCIAU-NWDGAFQWSA-N 0 3 333.350 2.926 20 10 EFCDHN COC(=O)C[C@@H]1CCC[N@@H+]1Cc1ccc(OCC(F)(F)F)cc1[O-] ZINC001237060069 1313578834 /nfs/dbraw/zinc/57/88/34/1313578834.db2.gz SYCSBEBAEASIKI-LBPRGKRZSA-N 0 3 347.333 2.861 20 10 EFCDHN COC(=O)C[C@@H]1CCC[N@H+]1Cc1ccc(OCC(F)(F)F)cc1[O-] ZINC001237060069 1313578838 /nfs/dbraw/zinc/57/88/38/1313578838.db2.gz SYCSBEBAEASIKI-LBPRGKRZSA-N 0 3 347.333 2.861 20 10 EFCDHN Oc1cccc(OC(F)(F)F)c1CN1CCN(CC2CC2)CC1 ZINC001237110213 1313587630 /nfs/dbraw/zinc/58/76/30/1313587630.db2.gz ANZMJNORYJIEAU-UHFFFAOYSA-N 0 3 330.350 2.818 20 10 EFCDHN Cc1nc(CCN(C)Cc2c(O)cccc2OC(F)(F)F)no1 ZINC001237115010 1313588446 /nfs/dbraw/zinc/58/84/46/1313588446.db2.gz DLIHNUCAHVCKJD-UHFFFAOYSA-N 0 3 331.294 2.657 20 10 EFCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@H](COc3ccccc3)C1)[C@H](O)CO2 ZINC000779883833 1299115096 /nfs/dbraw/zinc/11/50/96/1299115096.db2.gz GOAMWZUNGFHLFJ-IFXJQAMLSA-N 0 3 341.407 2.719 20 10 EFCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@H](COc3ccccc3)C1)[C@H](O)CO2 ZINC000779883833 1299115101 /nfs/dbraw/zinc/11/51/01/1299115101.db2.gz GOAMWZUNGFHLFJ-IFXJQAMLSA-N 0 3 341.407 2.719 20 10 EFCDHN CN(C)C(=O)[C@H]1CCC[N@H+](Cc2cc(C(F)(F)F)ccc2[O-])C1 ZINC001237138406 1313592332 /nfs/dbraw/zinc/59/23/32/1313592332.db2.gz BZZUJJAPDTYSHA-NSHDSACASA-N 0 3 330.350 2.711 20 10 EFCDHN CN(C)C(=O)[C@H]1CCC[N@@H+](Cc2cc(C(F)(F)F)ccc2[O-])C1 ZINC001237138406 1313592336 /nfs/dbraw/zinc/59/23/36/1313592336.db2.gz BZZUJJAPDTYSHA-NSHDSACASA-N 0 3 330.350 2.711 20 10 EFCDHN COC(=O)c1c(CN2CCNC3=CCCC[C@H]32)c2ccccc2n1C ZINC001237224343 1313609523 /nfs/dbraw/zinc/60/95/23/1313609523.db2.gz FMIMQLOODKNZOS-GOSISDBHSA-N 0 3 339.439 2.807 20 10 EFCDHN CCN(CC)c1ccc(CNC[C@@](C)(O)C(=O)OC(C)(C)C)cc1 ZINC000776520467 1299347334 /nfs/dbraw/zinc/34/73/34/1299347334.db2.gz LWPVWPOTOGUEJM-LJQANCHMSA-N 0 3 336.476 2.715 20 10 EFCDHN CCN1CC[C@@H]([N@H+](CC)Cc2cc(Br)ccc2[O-])C1=O ZINC000851793538 1299398676 /nfs/dbraw/zinc/39/86/76/1299398676.db2.gz XFYKXQMOTNRXKS-CYBMUJFWSA-N 0 3 341.249 2.597 20 10 EFCDHN CCN1CC[C@@H]([N@@H+](CC)Cc2cc(Br)ccc2[O-])C1=O ZINC000851793538 1299398683 /nfs/dbraw/zinc/39/86/83/1299398683.db2.gz XFYKXQMOTNRXKS-CYBMUJFWSA-N 0 3 341.249 2.597 20 10 EFCDHN [O-]c1ccc(Br)cc1CN1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237383893 1313633178 /nfs/dbraw/zinc/63/31/78/1313633178.db2.gz SFICNZOMYUGDNK-FZMZJTMJSA-N 0 3 325.250 2.729 20 10 EFCDHN Cc1cccc([O-])c1C[NH+]1C[C@@H]2CN(C(=O)c3ccsc3)C[C@H]2C1 ZINC001237488992 1313654639 /nfs/dbraw/zinc/65/46/39/1313654639.db2.gz TXAWPDDQRWIBPN-HZPDHXFCSA-N 0 3 342.464 2.966 20 10 EFCDHN COCCN1CCN(Cc2c(C)cccc2O)Cc2cccnc21 ZINC001237488755 1313655194 /nfs/dbraw/zinc/65/51/94/1313655194.db2.gz OYDAYADFMUKXQP-UHFFFAOYSA-N 0 3 327.428 2.564 20 10 EFCDHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2CCCN(CC3CC3)C2)c1 ZINC000853241708 1300063157 /nfs/dbraw/zinc/06/31/57/1300063157.db2.gz XEYISNNIACDFNW-HOCLYGCPSA-N 0 3 346.471 2.951 20 10 EFCDHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@H]2CCCN(CC3CC3)C2)c1 ZINC000853241705 1300063201 /nfs/dbraw/zinc/06/32/01/1300063201.db2.gz XEYISNNIACDFNW-GOEBONIOSA-N 0 3 346.471 2.951 20 10 EFCDHN COc1cc(CN2CC[C@@](O)(C(F)(F)F)[C@H](C)C2)c(O)c(OC)c1 ZINC001237670324 1313688107 /nfs/dbraw/zinc/68/81/07/1313688107.db2.gz SRGQKIQRTYGJBF-BMIGLBTASA-N 0 3 349.349 2.545 20 10 EFCDHN CCOC(=O)[C@H]1CCN(Cc2cc(Br)c(C)cc2O)C1 ZINC001237678740 1313689707 /nfs/dbraw/zinc/68/97/07/1313689707.db2.gz LRUYYQROMZQDSC-NSHDSACASA-N 0 3 342.233 2.848 20 10 EFCDHN Cc1cc([O-])c(CN2CCC[C@H]([NH+](C)C)C2)cc1Br ZINC001237678071 1313690012 /nfs/dbraw/zinc/69/00/12/1313690012.db2.gz IQMQTCBTZGIGQX-ZDUSSCGKSA-N 0 3 327.266 2.989 20 10 EFCDHN Cc1cc([O-])c(CN2CC[N@@H+]3CCC[C@@H]3C2)cc1Br ZINC001237679590 1313690049 /nfs/dbraw/zinc/69/00/49/1313690049.db2.gz RPFYHRQRWGLHBE-CYBMUJFWSA-N 0 3 325.250 2.743 20 10 EFCDHN Cc1cc([O-])c(CN2CC[N@H+]3CCC[C@@H]3C2)cc1Br ZINC001237679590 1313690051 /nfs/dbraw/zinc/69/00/51/1313690051.db2.gz RPFYHRQRWGLHBE-CYBMUJFWSA-N 0 3 325.250 2.743 20 10 EFCDHN CCc1noc(C2CCN(Cc3cc(OC)cc(OC)c3O)CC2)n1 ZINC001237677800 1313690276 /nfs/dbraw/zinc/69/02/76/1313690276.db2.gz IHXCTXPMHANHDC-UHFFFAOYSA-N 0 3 347.415 2.734 20 10 EFCDHN Cc1cc(O)c(CN2C[C@H]3OC[C@@H](C)[C@H]3C2)cc1Br ZINC001237682206 1313690463 /nfs/dbraw/zinc/69/04/63/1313690463.db2.gz NUABUWKCWVRMAB-IXPVHAAZSA-N 0 3 326.234 2.930 20 10 EFCDHN COc1cc(CN2CC[C@@H](Oc3cccc(C)n3)C2)c(O)c(OC)c1 ZINC001237686398 1313691719 /nfs/dbraw/zinc/69/17/19/1313691719.db2.gz YSCSPPKOAUEKKQ-OAHLLOKOSA-N 0 3 344.411 2.766 20 10 EFCDHN Cc1cc(Cl)cc(C[N@H+]2C[C@H]3CN(c4ncccn4)C[C@H]3C2)c1[O-] ZINC001237687019 1313691907 /nfs/dbraw/zinc/69/19/07/1313691907.db2.gz VRJYOBMCXKNHKZ-GASCZTMLSA-N 0 3 344.846 2.712 20 10 EFCDHN Cc1cc(Cl)cc(C[N@@H+]2C[C@H]3CN(c4ncccn4)C[C@H]3C2)c1[O-] ZINC001237687019 1313691911 /nfs/dbraw/zinc/69/19/11/1313691911.db2.gz VRJYOBMCXKNHKZ-GASCZTMLSA-N 0 3 344.846 2.712 20 10 EFCDHN Cc1cc(Cl)cc(CN2CCN(CCC(C)(C)O)CC2)c1O ZINC001237687502 1313692224 /nfs/dbraw/zinc/69/22/24/1313692224.db2.gz FDCPCGZUVMWOIW-UHFFFAOYSA-N 0 3 326.868 2.633 20 10 EFCDHN COc1cnc(O[C@@H]2CCN(Cc3cc(Cl)cc(C)c3O)C2)nc1 ZINC001237690494 1313692754 /nfs/dbraw/zinc/69/27/54/1313692754.db2.gz YKBHKQAELXQCEW-CQSZACIVSA-N 0 3 349.818 2.806 20 10 EFCDHN COc1cnc(O[C@@H]2CC[N@H+](Cc3cc(Cl)cc(C)c3[O-])C2)nc1 ZINC001237690494 1313692758 /nfs/dbraw/zinc/69/27/58/1313692758.db2.gz YKBHKQAELXQCEW-CQSZACIVSA-N 0 3 349.818 2.806 20 10 EFCDHN COc1cnc(O[C@@H]2CC[N@@H+](Cc3cc(Cl)cc(C)c3[O-])C2)nc1 ZINC001237690494 1313692761 /nfs/dbraw/zinc/69/27/61/1313692761.db2.gz YKBHKQAELXQCEW-CQSZACIVSA-N 0 3 349.818 2.806 20 10 EFCDHN COc1cc(CN2CCC[C@H](Oc3cccnc3)C2)c(O)c(OC)c1 ZINC001237677087 1313689387 /nfs/dbraw/zinc/68/93/87/1313689387.db2.gz WUUFRPYWKNYYIA-INIZCTEOSA-N 0 3 344.411 2.848 20 10 EFCDHN C[NH+](C)C1CCC2(CC1)CCN(C(=O)c1cccc(O)c1[O-])CC2 ZINC000854676803 1300662216 /nfs/dbraw/zinc/66/22/16/1300662216.db2.gz COMUEUSAHDDNOY-UHFFFAOYSA-N 0 3 332.444 2.824 20 10 EFCDHN COCC[N@H+](Cc1cc(F)c(Cl)cc1[O-])C1CCN(C)CC1 ZINC001237938235 1313733586 /nfs/dbraw/zinc/73/35/86/1313733586.db2.gz ZTXITLUJECTTFS-UHFFFAOYSA-N 0 3 330.831 2.727 20 10 EFCDHN COCC[N@@H+](Cc1cc(F)c(Cl)cc1[O-])C1CCN(C)CC1 ZINC001237938235 1313733589 /nfs/dbraw/zinc/73/35/89/1313733589.db2.gz ZTXITLUJECTTFS-UHFFFAOYSA-N 0 3 330.831 2.727 20 10 EFCDHN CCN(CC)C(=O)NC1CCN(Cc2cc(F)cc(C)c2O)CC1 ZINC001238065837 1313753970 /nfs/dbraw/zinc/75/39/70/1313753970.db2.gz FQQPTWBMQMVIIY-UHFFFAOYSA-N 0 3 337.439 2.856 20 10 EFCDHN Cc1cc(F)cc(CN2CCN(CCc3ccncc3)CC2)c1O ZINC001238060403 1313753261 /nfs/dbraw/zinc/75/32/61/1313753261.db2.gz ALPFAVYOHCHMNF-UHFFFAOYSA-N 0 3 329.419 2.595 20 10 EFCDHN Cc1cc(F)cc(CN2CCC[C@H](Oc3nccnc3C)C2)c1O ZINC001238069497 1313754955 /nfs/dbraw/zinc/75/49/55/1313754955.db2.gz ZUWJJEUMGTXJFJ-INIZCTEOSA-N 0 3 331.391 2.982 20 10 EFCDHN CC1(CN2CCN(c3ccc(OC(F)(F)F)cc3)CC2)COC1 ZINC001207798408 1313776564 /nfs/dbraw/zinc/77/65/64/1313776564.db2.gz AHJHSMIEBAZUKK-UHFFFAOYSA-N 0 3 330.350 2.744 20 10 EFCDHN COCCC1CCN(Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000862438087 1302386424 /nfs/dbraw/zinc/38/64/24/1302386424.db2.gz XBFAQINNENRQDO-UHFFFAOYSA-N 0 3 336.451 2.911 20 10 EFCDHN CC(C)N1CCC[C@H](N[C@@H](C)c2ccc(N3CCOCC3)cc2)C1=O ZINC000748270927 1313844493 /nfs/dbraw/zinc/84/44/93/1313844493.db2.gz ZYIUZDFLMPBFNQ-LPHOPBHVSA-N 0 3 345.487 2.573 20 10 EFCDHN CC[C@@H]([NH2+]CCNS(=O)(=O)c1ccccc1)c1ccc(C)cc1[O-] ZINC000794804005 1303105709 /nfs/dbraw/zinc/10/57/09/1303105709.db2.gz LKVSGKPIEGXCBS-QGZVFWFLSA-N 0 3 348.468 2.720 20 10 EFCDHN O=c1ccc(C[NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)c[nH]1 ZINC000865461945 1303268823 /nfs/dbraw/zinc/26/88/23/1303268823.db2.gz FCPWOUQAYDGPAZ-INIZCTEOSA-N 0 3 347.846 2.900 20 10 EFCDHN CN(C)c1ccc(CN(C)C(=O)CN2CCC3(CCC3)CC2)cc1 ZINC000796512037 1304799353 /nfs/dbraw/zinc/79/93/53/1304799353.db2.gz CEAKYABGNSGPCQ-UHFFFAOYSA-N 0 3 329.488 2.977 20 10 EFCDHN C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1cc([O-])cs1 ZINC000869801334 1304977329 /nfs/dbraw/zinc/97/73/29/1304977329.db2.gz HKSJYCZHYAUFGS-DZGCQCFKSA-N 0 3 330.453 2.952 20 10 EFCDHN C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1cc([O-])cs1 ZINC000869801334 1304977335 /nfs/dbraw/zinc/97/73/35/1304977335.db2.gz HKSJYCZHYAUFGS-DZGCQCFKSA-N 0 3 330.453 2.952 20 10 EFCDHN C[C@H]1CCN(CCCF)C[C@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000968684666 1306565866 /nfs/dbraw/zinc/56/58/66/1306565866.db2.gz GOVCYUWIAKRJKS-SWLSCSKDSA-N 0 3 349.410 2.649 20 10 EFCDHN Cc1ccc(C)n1-c1ccc(CN2CC[C@@H](O)[C@@](C)(CO)C2)cc1 ZINC001209516392 1314178503 /nfs/dbraw/zinc/17/85/03/1314178503.db2.gz FKSJIXZMRRXNGG-WOJBJXKFSA-N 0 3 328.456 2.659 20 10 EFCDHN Cc1cc(CN2CC[C@]23CCC[NH2+]C3)c([O-])cc1Br ZINC001222203724 1311098435 /nfs/dbraw/zinc/09/84/35/1311098435.db2.gz LDRMQDWNOLKQCX-HNNXBMFYSA-N 0 3 325.250 2.791 20 10 EFCDHN [O-]c1cc(Cl)c(Cl)cc1CN1CC[NH2+]C[C@]2(CCCCN2)C1 ZINC001222692953 1311173763 /nfs/dbraw/zinc/17/37/63/1311173763.db2.gz SEGCMJIKMMLKCA-MRXNPFEDSA-N 0 3 344.286 2.617 20 10 EFCDHN CN(C)C(=O)[C@@H]1CC[N@H+](Cc2ccc(O)cc2[O-])[C@H]1c1ccccc1 ZINC001277192024 1311780962 /nfs/dbraw/zinc/78/09/62/1311780962.db2.gz JMQXWBFYBQMNET-MJGOQNOKSA-N 0 3 340.423 2.749 20 10 EFCDHN CN(C)C(=O)[C@@H]1CC[N@@H+](Cc2ccc(O)cc2[O-])[C@H]1c1ccccc1 ZINC001277192024 1311780966 /nfs/dbraw/zinc/78/09/66/1311780966.db2.gz JMQXWBFYBQMNET-MJGOQNOKSA-N 0 3 340.423 2.749 20 10 EFCDHN CN(C)C(=O)[C@H]1[C@H]2CC[C@@H]1CN(Cc1ccc(N3CCCC3)cc1)C2 ZINC001277211188 1311809353 /nfs/dbraw/zinc/80/93/53/1311809353.db2.gz FMYNNHXFHBZRFB-OPVJXMOQSA-N 0 3 341.499 2.833 20 10 EFCDHN CNc1ccccc1CNCc1ccc(N2CCC(O)CC2)cc1 ZINC000902622083 1311949936 /nfs/dbraw/zinc/94/99/36/1311949936.db2.gz XMFLEHXKMSYLSB-UHFFFAOYSA-N 0 3 325.456 2.979 20 10 EFCDHN O=C(NC1CCC(F)CC1)C12CC([NH2+]Cc3ccccc3[O-])(C1)C2 ZINC001277441772 1312176924 /nfs/dbraw/zinc/17/69/24/1312176924.db2.gz OWVIFNIKAFWYMG-UHFFFAOYSA-N 0 3 332.419 2.801 20 10 EFCDHN O=C(Nc1cn[nH]c1)[C@@H]1CCC[C@@]12CC[N@@H+](Cc1ccccc1[O-])C2 ZINC001277442778 1312179828 /nfs/dbraw/zinc/17/98/28/1312179828.db2.gz ZSIDHFGXXGEWJQ-LPHOPBHVSA-N 0 3 340.427 2.746 20 10 EFCDHN O=C(Nc1cn[nH]c1)[C@@H]1CCC[C@@]12CC[N@H+](Cc1ccccc1[O-])C2 ZINC001277442778 1312179831 /nfs/dbraw/zinc/17/98/31/1312179831.db2.gz ZSIDHFGXXGEWJQ-LPHOPBHVSA-N 0 3 340.427 2.746 20 10 EFCDHN CN(C(=O)[C@@]12C[C@@H]1CCN2Cc1ccccc1O)C1CC(F)(F)C1 ZINC001277447004 1312194583 /nfs/dbraw/zinc/19/45/83/1312194583.db2.gz YBZFNGYYGGLWPK-SCLBCKFNSA-N 0 3 336.382 2.613 20 10 EFCDHN CN(C(=O)[C@@]12C[C@@H]1CC[N@@H+]2Cc1ccccc1[O-])C1CC(F)(F)C1 ZINC001277447004 1312194586 /nfs/dbraw/zinc/19/45/86/1312194586.db2.gz YBZFNGYYGGLWPK-SCLBCKFNSA-N 0 3 336.382 2.613 20 10 EFCDHN CN(C(=O)[C@@]12C[C@@H]1CC[N@H+]2Cc1ccccc1[O-])C1CC(F)(F)C1 ZINC001277447004 1312194588 /nfs/dbraw/zinc/19/45/88/1312194588.db2.gz YBZFNGYYGGLWPK-SCLBCKFNSA-N 0 3 336.382 2.613 20 10 EFCDHN CCN(C(=O)[C@]12C[C@H]1CCN2Cc1ccc(OC)cc1O)C(C)C ZINC001277457514 1312248776 /nfs/dbraw/zinc/24/87/76/1312248776.db2.gz OVQMGHQBRAUYEJ-BEFAXECRSA-N 0 3 332.444 2.622 20 10 EFCDHN COc1ccc(O)c(CN2CC[C@@H]3C[C@@]32C(=O)N2CCCC23CC3)c1 ZINC001277461903 1312305698 /nfs/dbraw/zinc/30/56/98/1312305698.db2.gz CLHIGDWHXCVLGS-QRWLVFNGSA-N 0 3 342.439 2.520 20 10 EFCDHN CCN(C(=O)[C@]12C[C@H]1CCN2Cc1cc(OC)ccc1O)C(C)C ZINC001277462850 1312311989 /nfs/dbraw/zinc/31/19/89/1312311989.db2.gz ZENKMRJUSNJEDS-BEFAXECRSA-N 0 3 332.444 2.622 20 10 EFCDHN C[C@H]1CN(C2CN(Cc3c(O)ccc4ccccc43)C2)C[C@H](C)O1 ZINC001231589777 1312528587 /nfs/dbraw/zinc/52/85/87/1312528587.db2.gz QIVYYNPOSXGLLF-GJZGRUSLSA-N 0 3 326.440 2.839 20 10 EFCDHN C[C@H]1CN(C2C[NH+](Cc3c([O-])ccc4ccccc43)C2)C[C@H](C)O1 ZINC001231589777 1312528591 /nfs/dbraw/zinc/52/85/91/1312528591.db2.gz QIVYYNPOSXGLLF-GJZGRUSLSA-N 0 3 326.440 2.839 20 10 EFCDHN COc1cc(CN2CCC(Oc3cc(C)ccn3)CC2)c(O)cc1O ZINC001231639869 1312537491 /nfs/dbraw/zinc/53/74/91/1312537491.db2.gz MOAOSDIZZJILDC-UHFFFAOYSA-N 0 3 344.411 2.853 20 10 EFCDHN COc1cc(CN2CC[C@H](C(=O)c3ccccc3)C2)c(O)cc1O ZINC001231639015 1312537761 /nfs/dbraw/zinc/53/77/61/1312537761.db2.gz CUDHWXMBVIASBK-AWEZNQCLSA-N 0 3 327.380 2.811 20 10 EFCDHN COc1cc(CN2CCC[C@H](Oc3cccc(C)n3)C2)c(O)cc1O ZINC001231639852 1312537912 /nfs/dbraw/zinc/53/79/12/1312537912.db2.gz MBNZOGNWVWKJFJ-HNNXBMFYSA-N 0 3 344.411 2.853 20 10 EFCDHN Cc1ccc(C[NH2+][C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)N2CCCCO2)c([O-])c1 ZINC001277567858 1312567502 /nfs/dbraw/zinc/56/75/02/1312567502.db2.gz QJKLWHBTALGPKU-LVFSCSRESA-N 0 3 344.455 2.759 20 10 EFCDHN Cc1ccc(C[NH2+][C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)NCC(F)F)c([O-])c1 ZINC001277569392 1312568442 /nfs/dbraw/zinc/56/84/42/1312568442.db2.gz YAYGLFBSEVSYPA-FCLUMBPUSA-N 0 3 338.398 2.586 20 10 EFCDHN CCOC[C@H]1Cn2nccc2CN(Cc2c(C)cc(C)cc2O)C1 ZINC001231844840 1312573515 /nfs/dbraw/zinc/57/35/15/1312573515.db2.gz OFFFQJUCDIYURO-MRXNPFEDSA-N 0 3 329.444 2.874 20 10 EFCDHN COc1ccnc(N2CCN(Cc3c(C)cc(C)cc3O)CC2)c1 ZINC001231848376 1312574272 /nfs/dbraw/zinc/57/42/72/1312574272.db2.gz HJLGWDLKFLPIMV-UHFFFAOYSA-N 0 3 327.428 2.735 20 10 EFCDHN COc1cc(N(C)C)ccc1CN1CCC[C@@H](c2nnc(C)o2)C1 ZINC001231855018 1312575053 /nfs/dbraw/zinc/57/50/53/1312575053.db2.gz OKRQINITJULBOG-OAHLLOKOSA-N 0 3 330.432 2.832 20 10 EFCDHN Cc1cc([O-])c(C[NH+]2CCC3(CC(N(C)C)=NO3)CC2)cc1Cl ZINC001231869620 1312578045 /nfs/dbraw/zinc/57/80/45/1312578045.db2.gz SULWTQRHQLMLPK-UHFFFAOYSA-N 0 3 337.851 2.984 20 10 EFCDHN CC[NH+](CC)CCN1CCN(Cc2cc(Cl)c(C)cc2[O-])CC1 ZINC001231869670 1312578085 /nfs/dbraw/zinc/57/80/85/1312578085.db2.gz VPJNLIDUPQBJLG-UHFFFAOYSA-N 0 3 339.911 2.813 20 10 EFCDHN CC[C@H]([NH2+]CC1(O)CCC2(CC1)OCCO2)c1ccc(C)cc1[O-] ZINC000903372597 1312607741 /nfs/dbraw/zinc/60/77/41/1312607741.db2.gz LHNPMVBRHNHTKS-INIZCTEOSA-N 0 3 335.444 2.790 20 10 EFCDHN C[C@@H]1CCN(Cc2ccc(N3CCOCC3)c(Cl)c2)CC[C@@H]1O ZINC001232195188 1312645900 /nfs/dbraw/zinc/64/59/00/1312645900.db2.gz RIRPGZZGIAADPC-KDOFPFPSSA-N 0 3 338.879 2.769 20 10 EFCDHN C[C@]1(O)CCCN(Cc2ccc(N3CCOCC3)c(Cl)c2)CC1 ZINC001232196685 1312646942 /nfs/dbraw/zinc/64/69/42/1312646942.db2.gz FDFDGRJKIWXGSE-SFHVURJKSA-N 0 3 338.879 2.914 20 10 EFCDHN Clc1cc(CN2CCCC3(COC3)C2)ccc1N1CCOCC1 ZINC001232195458 1312647194 /nfs/dbraw/zinc/64/71/94/1312647194.db2.gz VEYRTWKVLIUVLF-UHFFFAOYSA-N 0 3 336.863 2.789 20 10 EFCDHN OCC[C@@H]1CCCN(Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001232202712 1312648038 /nfs/dbraw/zinc/64/80/38/1312648038.db2.gz FQHBJASUWZNNOU-HNNXBMFYSA-N 0 3 338.879 2.771 20 10 EFCDHN Clc1cc(CN2CCN3CCCC[C@H]3C2)ccc1N1CCOCC1 ZINC001232203248 1312648559 /nfs/dbraw/zinc/64/85/59/1312648559.db2.gz QYOJWWOOURAXLA-KRWDZBQOSA-N 0 3 349.906 2.847 20 10 EFCDHN COc1cc(I)cc(CN2CC[C@H](C)C2)c1O ZINC001248391279 1314931152 /nfs/dbraw/zinc/93/11/52/1314931152.db2.gz PSKAGVWOJPPMQW-VIFPVBQESA-N 0 3 347.196 2.847 20 10 EFCDHN COC(=O)Cc1ccc(C[NH+]2CCC(OC3CCC3)CC2)c([O-])c1 ZINC001249177610 1315029646 /nfs/dbraw/zinc/02/96/46/1315029646.db2.gz FXQASNAHTAIIGE-UHFFFAOYSA-N 0 3 333.428 2.641 20 10 EFCDHN COC(=O)Cc1ccc(C[N@H+](C)Cc2ccc(OC)cc2)c([O-])c1 ZINC001249178015 1315030290 /nfs/dbraw/zinc/03/02/90/1315030290.db2.gz NKVBCBOQLWDNKI-UHFFFAOYSA-N 0 3 329.396 2.748 20 10 EFCDHN COC(=O)Cc1ccc(C[N@@H+](C)Cc2ccc(OC)cc2)c([O-])c1 ZINC001249178015 1315030294 /nfs/dbraw/zinc/03/02/94/1315030294.db2.gz NKVBCBOQLWDNKI-UHFFFAOYSA-N 0 3 329.396 2.748 20 10 EFCDHN COC(=O)Cc1ccc(C[N@@H+]2CCC[C@H]2Cc2ccccn2)c([O-])c1 ZINC001249201457 1315032554 /nfs/dbraw/zinc/03/25/54/1315032554.db2.gz SSKMZJYCHXUFJL-SFHVURJKSA-N 0 3 340.423 2.710 20 10 EFCDHN COC(=O)Cc1ccc(C[N@H+]2CCC[C@H]2Cc2ccccn2)c([O-])c1 ZINC001249201457 1315032559 /nfs/dbraw/zinc/03/25/59/1315032559.db2.gz SSKMZJYCHXUFJL-SFHVURJKSA-N 0 3 340.423 2.710 20 10 EFCDHN COC(=O)Cc1ccc(CN2CCOc3ccccc3C2)c(O)c1 ZINC001249201382 1315032960 /nfs/dbraw/zinc/03/29/60/1315032960.db2.gz QQCVUNDEABGPNN-UHFFFAOYSA-N 0 3 327.380 2.502 20 10 EFCDHN COC(=O)Cc1ccc(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)c([O-])c1 ZINC001249201582 1315033031 /nfs/dbraw/zinc/03/30/31/1315033031.db2.gz ZEAMOIAFNHOFOW-CYBMUJFWSA-N 0 3 331.334 2.882 20 10 EFCDHN COC(=O)Cc1ccc(C[N@H+]2CCC[C@@H](C(F)(F)F)C2)c([O-])c1 ZINC001249201582 1315033034 /nfs/dbraw/zinc/03/30/34/1315033034.db2.gz ZEAMOIAFNHOFOW-CYBMUJFWSA-N 0 3 331.334 2.882 20 10 EFCDHN COC(=O)Cc1ccc(C[N@@H+]2CCC[C@@H](c3ccccn3)C2)c([O-])c1 ZINC001249201413 1315033082 /nfs/dbraw/zinc/03/30/82/1315033082.db2.gz RYHFMBMZHYASPL-MRXNPFEDSA-N 0 3 340.423 2.882 20 10 EFCDHN COC(=O)Cc1ccc(C[N@H+]2CCC[C@@H](c3ccccn3)C2)c([O-])c1 ZINC001249201413 1315033088 /nfs/dbraw/zinc/03/30/88/1315033088.db2.gz RYHFMBMZHYASPL-MRXNPFEDSA-N 0 3 340.423 2.882 20 10 EFCDHN COC(=O)Cc1ccc(C[NH+]2CCC3(CCC(=O)CC3)CC2)c([O-])c1 ZINC001249215277 1315033926 /nfs/dbraw/zinc/03/39/26/1315033926.db2.gz ZBQDHSLFDOBFLY-UHFFFAOYSA-N 0 3 345.439 2.833 20 10 EFCDHN COC(=O)[C@@H]1CCC[N@H+](Cc2ccc3c(c2[O-])C=CC(C)(C)O3)C1 ZINC001249223635 1315034537 /nfs/dbraw/zinc/03/45/37/1315034537.db2.gz KKWQIWKLVZLHLZ-CQSZACIVSA-N 0 3 331.412 2.961 20 10 EFCDHN COC(=O)[C@@H]1CCC[N@@H+](Cc2ccc3c(c2[O-])C=CC(C)(C)O3)C1 ZINC001249223635 1315034540 /nfs/dbraw/zinc/03/45/40/1315034540.db2.gz KKWQIWKLVZLHLZ-CQSZACIVSA-N 0 3 331.412 2.961 20 10 EFCDHN CC1(C)C=Cc2c([O-])c(C[NH+]3CCC4(CNC(=O)O4)CC3)ccc2O1 ZINC001249252105 1315040015 /nfs/dbraw/zinc/04/00/15/1315040015.db2.gz GBEAJGWDHRWEDI-UHFFFAOYSA-N 0 3 344.411 2.651 20 10 EFCDHN CC1(C)C=Cc2c([O-])c(C[NH+]3CCC4(CCC(=O)N4)CC3)ccc2O1 ZINC001249259431 1315040489 /nfs/dbraw/zinc/04/04/89/1315040489.db2.gz YJEWBYFLVQIDAY-UHFFFAOYSA-N 0 3 342.439 2.821 20 10 EFCDHN CC1(C)C=Cc2c([O-])c(C[N@@H+]3CCC(=O)N4CCC[C@H]4C3)ccc2O1 ZINC001249258826 1315040522 /nfs/dbraw/zinc/04/05/22/1315040522.db2.gz MTEOWNSCSWEYTP-HNNXBMFYSA-N 0 3 342.439 2.773 20 10 EFCDHN CC1(C)C=Cc2c([O-])c(C[N@H+]3CCC(=O)N4CCC[C@H]4C3)ccc2O1 ZINC001249258826 1315040524 /nfs/dbraw/zinc/04/05/24/1315040524.db2.gz MTEOWNSCSWEYTP-HNNXBMFYSA-N 0 3 342.439 2.773 20 10 EFCDHN COc1cccc(-c2noc(C[C@@H]([NH3+])c3ccccc3[O-])n2)c1F ZINC001249339455 1315056054 /nfs/dbraw/zinc/05/60/54/1315056054.db2.gz KTQPSMKCGKDSOT-GFCCVEGCSA-N 0 3 329.331 2.832 20 10 EFCDHN Cc1cc(OC2CC[NH2+]CC2)c2c(c1)C(=O)c1cccc([O-])c1C2=O ZINC001217964060 1315125872 /nfs/dbraw/zinc/12/58/72/1315125872.db2.gz ZQPXFKNVMOSFFA-UHFFFAOYSA-N 0 3 337.375 2.607 20 10 EFCDHN O=C(c1ccccc1)c1ccc([O-])c(O)c1O[C@@H]1CCCC[NH2+]C1 ZINC001217970261 1315126820 /nfs/dbraw/zinc/12/68/20/1315126820.db2.gz DNFDHXBLRGSKAQ-CQSZACIVSA-N 0 3 327.380 2.850 20 10 EFCDHN CCOC(=O)CCCOc1ccc(C[NH+]2CC3CC(C3)C2)c([O-])c1 ZINC001249743348 1315128937 /nfs/dbraw/zinc/12/89/37/1315128937.db2.gz LDSOZMCKQLVXEP-UHFFFAOYSA-N 0 3 333.428 2.956 20 10 EFCDHN Cc1cc(C[N@@H+](C)C2CCN(C)CC2)c([O-])cc1Br ZINC001250117420 1315174821 /nfs/dbraw/zinc/17/48/21/1315174821.db2.gz OSVWGFBGEBIMHQ-UHFFFAOYSA-N 0 3 327.266 2.989 20 10 EFCDHN Cc1cc(C[N@H+](C)C2CCN(C)CC2)c([O-])cc1Br ZINC001250117420 1315174824 /nfs/dbraw/zinc/17/48/24/1315174824.db2.gz OSVWGFBGEBIMHQ-UHFFFAOYSA-N 0 3 327.266 2.989 20 10 EFCDHN O=C1c2cccc([O-])c2C(=O)c2c(O[C@H]3C[C@H]4[NH2+]CC[C@H]4C3)cccc21 ZINC001218247183 1315170645 /nfs/dbraw/zinc/17/06/45/1315170645.db2.gz PKWOQTZAQLYPPA-YWPYICTPSA-N 0 3 349.386 2.687 20 10 EFCDHN CCN1C[C@@H]2C[C@H]1CN2Cc1cc(C)c(Br)cc1O ZINC001250135928 1315177946 /nfs/dbraw/zinc/17/79/46/1315177946.db2.gz KVSWVPBXLJESIZ-STQMWFEESA-N 0 3 325.250 2.742 20 10 EFCDHN COc1c(C)c(O[C@@H]2CN[C@@H]2C)cc2c1C(=O)c1ccccc1C2=O ZINC001218384285 1315187252 /nfs/dbraw/zinc/18/72/52/1315187252.db2.gz IZVRELUVYUGIEL-BDJLRTHQSA-N 0 3 337.375 2.518 20 10 EFCDHN C[C@H]1CC[C@H](Oc2cccc3c2C(=O)c2c([O-])cccc2C3=O)C[NH2+]1 ZINC001218392728 1315188304 /nfs/dbraw/zinc/18/83/04/1315188304.db2.gz LEZVFOPTUCNWSK-RYUDHWBXSA-N 0 3 337.375 2.687 20 10 EFCDHN C[C@H]1CC[C@H](Oc2cccc3c2C(=O)c2cccc([O-])c2C3=O)C[NH2+]1 ZINC001218408322 1315192100 /nfs/dbraw/zinc/19/21/00/1315192100.db2.gz USYIEUJOCUAYCZ-RYUDHWBXSA-N 0 3 337.375 2.687 20 10 EFCDHN COc1cc(C)c(CN2C[C@@H]3COC[C@H](C2)N3C2CCCC2)c(O)c1 ZINC001276806703 1315330308 /nfs/dbraw/zinc/33/03/08/1315330308.db2.gz SHXXPJGXLYETJB-CALCHBBNSA-N 0 3 346.471 2.537 20 10 EFCDHN C[C@H]1[NH2+]CCC[C@@H]1C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001220212870 1315385537 /nfs/dbraw/zinc/38/55/37/1315385537.db2.gz ZNJJWCZVQHWXHQ-PWSUYJOCSA-N 0 3 333.819 2.598 20 10 EFCDHN C[C@H]1CC[NH2+][C@@H](C(=O)NCc2cc(Cl)c3cccnc3c2[O-])C1 ZINC001220212726 1315385585 /nfs/dbraw/zinc/38/55/85/1315385585.db2.gz UGBHUJUHOJPYCK-IINYFYTJSA-N 0 3 333.819 2.598 20 10 EFCDHN [NH3+][C@@H](CC1CCC1)C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001220212376 1315385969 /nfs/dbraw/zinc/38/59/69/1315385969.db2.gz HIXWOWZLPMNZRH-AWEZNQCLSA-N 0 3 333.819 2.728 20 10 EFCDHN O=C(N[C@@H](c1ccc(F)cc1)C1CC[NH2+]CC1)c1cccc(O)c1[O-] ZINC001221043281 1315475979 /nfs/dbraw/zinc/47/59/79/1315475979.db2.gz RLXNMWUBSWBXHW-KRWDZBQOSA-N 0 3 344.386 2.708 20 10 EFCDHN [O-]c1cccc2c1C[N@H+](C[C@@H](O)CCOCc1ccccc1)CC2 ZINC001253272314 1315587181 /nfs/dbraw/zinc/58/71/81/1315587181.db2.gz KKJABHXPWATLLP-SFHVURJKSA-N 0 3 327.424 2.718 20 10 EFCDHN [O-]c1cccc2c1C[N@@H+](C[C@@H](O)CCOCc1ccccc1)CC2 ZINC001253272314 1315587182 /nfs/dbraw/zinc/58/71/82/1315587182.db2.gz KKJABHXPWATLLP-SFHVURJKSA-N 0 3 327.424 2.718 20 10 EFCDHN O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3cccc(O)c3[O-])CC2)cc1 ZINC001254469443 1315706808 /nfs/dbraw/zinc/70/68/08/1315706808.db2.gz ORJLOPZYYJTAAI-UHFFFAOYSA-N 0 3 343.383 2.765 20 10 EFCDHN CCOc1ccc(N2CCN(C3C[C@H]4CC(=O)C[C@@H]4C3)CC2)cc1 ZINC001254964463 1315766568 /nfs/dbraw/zinc/76/65/68/1315766568.db2.gz QPQIOZVFEBKCHA-HOTGVXAUSA-N 0 3 328.456 2.965 20 10 EFCDHN COc1cc(Cl)cc(C[NH2+]C[C@H]2CC(=O)N(C(C)(C)C)C2)c1[O-] ZINC000827555128 1316000567 /nfs/dbraw/zinc/00/05/67/1316000567.db2.gz OJCULLOMHBSZOD-LLVKDONJSA-N 0 3 340.851 2.791 20 10 EFCDHN CCOC(=O)c1ccc(C[C@H](C)[NH2+]Cc2ccc(O)cc2[O-])cc1 ZINC001257156798 1316040765 /nfs/dbraw/zinc/04/07/65/1316040765.db2.gz WFVRWLIMFYCZAQ-ZDUSSCGKSA-N 0 3 329.396 2.995 20 10 EFCDHN COCCOc1ccc(N2CCN([C@H]3CCCSC3)CC2)cc1 ZINC001257684530 1316085882 /nfs/dbraw/zinc/08/58/82/1316085882.db2.gz UMJCSQNSEABOAK-KRWDZBQOSA-N 0 3 336.501 2.729 20 10 EFCDHN O=C1CC[C@@H]([NH2+]Cc2cccc(O)c2[O-])CCN1Cc1ccccc1 ZINC001258574206 1316164140 /nfs/dbraw/zinc/16/41/40/1316164140.db2.gz OSYMYIHSEUCYDU-QGZVFWFLSA-N 0 3 340.423 2.769 20 10 EFCDHN O=C(Nc1cccc2nccn21)C12CC([NH2+]Cc3ccccc3[O-])(C1)C2 ZINC001279969161 1317425958 /nfs/dbraw/zinc/42/59/58/1317425958.db2.gz VRQGYYAEDHIMOO-UHFFFAOYSA-N 0 3 348.406 2.691 20 10 EFCDHN [O-]c1cc2c(cc1C[NH+]1CCC(n3cc(Cl)cn3)CC1)[C@@H](O)CO2 ZINC001320048011 1329064341 /nfs/dbraw/zinc/06/43/41/1329064341.db2.gz QRDQRHDITRDXSV-INIZCTEOSA-N 0 3 349.818 2.505 20 10 EFCDHN C[C@H]([NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F)C(=O)NCC(F)(F)F ZINC001320130179 1329092850 /nfs/dbraw/zinc/09/28/50/1329092850.db2.gz JLPDVUPPZPHTFP-OYNCUSHFSA-N 0 3 334.313 2.736 20 10 EFCDHN C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001313393913 1325014186 /nfs/dbraw/zinc/01/41/86/1325014186.db2.gz GGZQPXHACCITJL-LQDZTQBFSA-N 0 3 344.503 2.699 20 10 EFCDHN CCO[C@H]1CCCN(Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001324166316 1329604941 /nfs/dbraw/zinc/60/49/41/1329604941.db2.gz CTKSCFKRPSRNSR-KRWDZBQOSA-N 0 3 335.467 2.578 20 10 EFCDHN CN1CCN(c2ccc(CN3CCC(F)(F)CC3)cc2F)CC1 ZINC001324985416 1329665745 /nfs/dbraw/zinc/66/57/45/1329665745.db2.gz RCTNXZGTXQFKNW-UHFFFAOYSA-N 0 3 327.394 2.809 20 10 EFCDHN Cc1cccc(CN(C)Cc2ccc(N3CCN(C)CC3)c(F)c2)n1 ZINC001326445798 1329757248 /nfs/dbraw/zinc/75/72/48/1329757248.db2.gz DZXNTXAVFGPOCF-UHFFFAOYSA-N 0 3 342.462 2.913 20 10 EFCDHN CC(C)O[C@@H]1CCN(Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001329506080 1330713418 /nfs/dbraw/zinc/71/34/18/1330713418.db2.gz DLYULOZZPHOYLN-QGZVFWFLSA-N 0 3 335.467 2.577 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=O)C2(C(C)(F)F)CC2)N(C)C)cc1 ZINC001336624890 1331487775 /nfs/dbraw/zinc/48/77/75/1331487775.db2.gz RXCCWEWWUIAZFC-OAHLLOKOSA-N 0 3 339.430 2.907 20 10 EFCDHN Cc1ccc([C@H](CNC(=O)NCc2ccc(N)cc2)N(C)C)cc1 ZINC001336785116 1331502550 /nfs/dbraw/zinc/50/25/50/1331502550.db2.gz VYMNNUBDOVXYGQ-SFHVURJKSA-N 0 3 326.444 2.679 20 10 EFCDHN C[C@@H]1C[C@H](NC(=O)NCc2ccc(N)cc2)CN1Cc1ccccc1 ZINC001337016428 1331527762 /nfs/dbraw/zinc/52/77/62/1331527762.db2.gz RVGVSPGZZVOEJO-BEFAXECRSA-N 0 3 338.455 2.731 20 10 EFCDHN Nc1ccc(CNC(=O)N2CCCN(Cc3ccccc3)CC2)cc1 ZINC001337078783 1331534488 /nfs/dbraw/zinc/53/44/88/1331534488.db2.gz QMTGJLSZAWZHCS-UHFFFAOYSA-N 0 3 338.455 2.686 20 10 EFCDHN C[C@H]1[C@@H](NC(=O)NCc2ccc(N)cc2)CCN1Cc1ccccc1 ZINC001338608291 1331719623 /nfs/dbraw/zinc/71/96/23/1331719623.db2.gz PKZLKJGPMAXYDZ-KXBFYZLASA-N 0 3 338.455 2.731 20 10 EFCDHN COC(=O)C[C@@H]1CSCCN1Cc1ccc(N2CCCC2)cc1 ZINC001341569627 1332268745 /nfs/dbraw/zinc/26/87/45/1332268745.db2.gz RQKYCKSGFTUKIA-QGZVFWFLSA-N 0 3 334.485 2.767 20 10 EFCDHN Cc1coc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)c1C ZINC001352166854 1333410999 /nfs/dbraw/zinc/41/09/99/1333410999.db2.gz CEFSHZIMVYICBL-QGZVFWFLSA-N 0 3 329.444 2.995 20 10 EFCDHN C[C@@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)n1cccc1 ZINC001352167233 1333411856 /nfs/dbraw/zinc/41/18/56/1333411856.db2.gz IZWZUQAXJKTUBA-YJBOKZPZSA-N 0 3 328.460 2.534 20 10 EFCDHN CC[C@H](C)CNC(=S)NC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC001200278239 1334037919 /nfs/dbraw/zinc/03/79/19/1334037919.db2.gz RYLBMEGEVZSALG-AWEZNQCLSA-N 0 3 335.517 2.867 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=O)N2CC3CCC2CC3)N(C)C)cc1 ZINC001355381493 1334762226 /nfs/dbraw/zinc/76/22/26/1334762226.db2.gz RZJLZSJITMICEF-XUJQIHCRSA-N 0 3 344.503 2.939 20 10 EFCDHN COc1ccc(N2CC[C@H](CN[C@@H]3CCCn4ccnc43)C2)cc1 ZINC000848553086 1334791311 /nfs/dbraw/zinc/79/13/11/1334791311.db2.gz IHNVQSJWYHKMNQ-CRAIPNDOSA-N 0 3 326.444 2.843 20 10 EFCDHN CCc1cccc(CNCc2cc(C)nc(N3CCCC3)n2)c1O ZINC000848912682 1334980657 /nfs/dbraw/zinc/98/06/57/1334980657.db2.gz IPULVMPXXHWJCF-UHFFFAOYSA-N 0 3 326.444 2.943 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=O)c2c[nH]cc2C2CC2)N(C)C)cc1 ZINC000891243914 714127575 /nfs/dbraw/zinc/12/75/75/714127575.db2.gz VTEUZBPBXYZSQJ-LJQANCHMSA-N 0 3 340.471 2.991 20 10 EFCDHN Cc1cc(F)ncc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891245233 714131478 /nfs/dbraw/zinc/13/14/78/714131478.db2.gz ARYYPXIAUCOYDS-KRWDZBQOSA-N 0 3 344.434 2.628 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)/C=C/c2ccc[nH]2)N(C)C)cc1 ZINC000891246773 714133211 /nfs/dbraw/zinc/13/32/11/714133211.db2.gz DGFFPMZLMVTWLC-PEKVBPLLSA-N 0 3 326.444 2.513 20 10 EFCDHN CC(C)n1cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)cn1 ZINC000891247104 714133947 /nfs/dbraw/zinc/13/39/47/714133947.db2.gz FBOQSMUEXRGADV-GOSISDBHSA-N 0 3 343.475 2.563 20 10 EFCDHN CC(C)n1cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)cn1 ZINC000891247105 714133975 /nfs/dbraw/zinc/13/39/75/714133975.db2.gz FBOQSMUEXRGADV-SFHVURJKSA-N 0 3 343.475 2.563 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=O)C2(C)CC(F)(F)C2)N(C)C)cc1 ZINC000891248554 714136004 /nfs/dbraw/zinc/13/60/04/714136004.db2.gz YLVDMSBJOKOWLD-OAHLLOKOSA-N 0 3 339.430 2.907 20 10 EFCDHN CCc1nc(C)c(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)o1 ZINC000891249300 714137778 /nfs/dbraw/zinc/13/77/78/714137778.db2.gz QKTQTKIELWLPLM-INIZCTEOSA-N 0 3 344.459 2.644 20 10 EFCDHN CCc1occc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891249809 714139278 /nfs/dbraw/zinc/13/92/78/714139278.db2.gz SYEGHBZFAXJHKW-KRWDZBQOSA-N 0 3 329.444 2.941 20 10 EFCDHN CO[C@@H](CC(C)C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891248944 714139761 /nfs/dbraw/zinc/13/97/61/714139761.db2.gz OZBTXMFJCGCWNK-MSOLQXFVSA-N 0 3 335.492 2.533 20 10 EFCDHN COCCC[C@H](C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891248759 714139870 /nfs/dbraw/zinc/13/98/70/714139870.db2.gz NUGPDGHXDVIHLN-MAUKXSAKSA-N 0 3 335.492 2.534 20 10 EFCDHN CC(C)OCCCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891249112 714140340 /nfs/dbraw/zinc/14/03/40/714140340.db2.gz QAXWSVANJBRGCN-SFHVURJKSA-N 0 3 335.492 2.677 20 10 EFCDHN C[C@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)C(F)(F)F ZINC000891250484 714140504 /nfs/dbraw/zinc/14/05/04/714140504.db2.gz AGQZMPHWMVFSSH-RISCZKNCSA-N 0 3 331.382 2.670 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=O)C2CCSCC2)N(C)C)cc1 ZINC000891251945 714142782 /nfs/dbraw/zinc/14/27/82/714142782.db2.gz IILJIYRGSYFSNU-QGZVFWFLSA-N 0 3 335.517 2.615 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=O)CC[C@@H]2CCCCO2)N(C)C)cc1 ZINC000891252325 714147054 /nfs/dbraw/zinc/14/70/54/714147054.db2.gz JKPZDOXJWVCOLI-RBUKOAKNSA-N 0 3 347.503 2.821 20 10 EFCDHN C[C@@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)c1ccco1 ZINC000891253997 714147931 /nfs/dbraw/zinc/14/79/31/714147931.db2.gz VKIRFSMNBJIZBW-RHSMWYFYSA-N 0 3 329.444 2.868 20 10 EFCDHN C[C@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)c1ccco1 ZINC000891254004 714148001 /nfs/dbraw/zinc/14/80/01/714148001.db2.gz VKIRFSMNBJIZBW-WMLDXEAASA-N 0 3 329.444 2.868 20 10 EFCDHN CC(C)CO[C@H](C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891255418 714151766 /nfs/dbraw/zinc/15/17/66/714151766.db2.gz OWBGUUFLUMXSDD-QAPCUYQASA-N 0 3 335.492 2.533 20 10 EFCDHN CC(C)CO[C@@H](C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891255419 714151809 /nfs/dbraw/zinc/15/18/09/714151809.db2.gz OWBGUUFLUMXSDD-YJBOKZPZSA-N 0 3 335.492 2.533 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)c2cc(C3CC3)on2)N(C)C)cc1 ZINC000891255436 714151938 /nfs/dbraw/zinc/15/19/38/714151938.db2.gz PFGSPLGDOQBXBF-KRWDZBQOSA-N 0 3 342.443 2.651 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)Cc2ccsc2)N(C)C)cc1 ZINC000891258564 714153988 /nfs/dbraw/zinc/15/39/88/714153988.db2.gz UJCLWMRYRHBKOH-KRWDZBQOSA-N 0 3 331.485 2.776 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=O)Cc2ccsc2)N(C)C)cc1 ZINC000891258565 714154219 /nfs/dbraw/zinc/15/42/19/714154219.db2.gz UJCLWMRYRHBKOH-QGZVFWFLSA-N 0 3 331.485 2.776 20 10 EFCDHN CC(C)=CCN1CC([C@@H](C)NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000970954185 714177018 /nfs/dbraw/zinc/17/70/18/714177018.db2.gz LCSISBRXPSRCLA-CYBMUJFWSA-N 0 3 343.431 2.865 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)NCc2cccs2)N(C)C)cc1 ZINC000022418337 714585386 /nfs/dbraw/zinc/58/53/86/714585386.db2.gz PIFQWMDHUVOSPA-KRWDZBQOSA-N 0 3 346.500 2.916 20 10 EFCDHN COc1ccc(CN(C)C[C@H]2COc3ccccc3O2)c(O)c1OC ZINC000891483925 714778528 /nfs/dbraw/zinc/77/85/28/714778528.db2.gz XTKGNAAUPQQJDQ-AWEZNQCLSA-N 0 3 345.395 2.681 20 10 EFCDHN COc1ccc(CN2CCN(C)c3ccccc3C2)c(O)c1OC ZINC000891924525 715159080 /nfs/dbraw/zinc/15/90/80/715159080.db2.gz PIPBDVZGQNCLAZ-UHFFFAOYSA-N 0 3 328.412 2.861 20 10 EFCDHN COc1ccc([C@@H](CO)N(C)Cc2ccc(OC)c(OC)c2O)cc1 ZINC000892044385 715232140 /nfs/dbraw/zinc/23/21/40/715232140.db2.gz IYIFTNDRADZGSW-MRXNPFEDSA-N 0 3 347.411 2.583 20 10 EFCDHN CCN(CC)c1ccc(CNC(=O)N(C)[C@@H]2CCCN(C)C2)cc1 ZINC000892133144 715267913 /nfs/dbraw/zinc/26/79/13/715267913.db2.gz IXTAQUITEOFMKQ-GOSISDBHSA-N 0 3 332.492 2.768 20 10 EFCDHN COc1ccc(CN[C@@H](C[S@@](C)=O)c2ccccc2)c(O)c1OC ZINC000893435707 715394500 /nfs/dbraw/zinc/39/45/00/715394500.db2.gz UUPWMZOZFOGCOE-IZHWHUGBSA-N 0 3 349.452 2.619 20 10 EFCDHN CCc1cccc(NC(=O)CNCc2ccc(OC)c(OC)c2O)c1 ZINC000894989248 723043353 /nfs/dbraw/zinc/04/33/53/723043353.db2.gz YEVGXQJAFVLGGO-UHFFFAOYSA-N 0 3 344.411 2.700 20 10 EFCDHN C[C@@H]1C[C@H]([NH2+]CCC(C)(C)S(C)(=O)=O)c2c1c(F)ccc2[O-] ZINC000840875332 716805767 /nfs/dbraw/zinc/80/57/67/716805767.db2.gz CUFMGAKZRWJSAD-PWSUYJOCSA-N 0 3 329.437 2.883 20 10 EFCDHN Cc1cc(N(C)C)ccc1CNCC(=O)N(C)Cc1ccccc1 ZINC000840928865 716991872 /nfs/dbraw/zinc/99/18/72/716991872.db2.gz CYLJDULGPIPMJB-UHFFFAOYSA-N 0 3 325.456 2.809 20 10 EFCDHN CCN(CC)CC(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 ZINC000066406242 718220114 /nfs/dbraw/zinc/22/01/14/718220114.db2.gz LYRNUKWNLDMKBE-LJQANCHMSA-N 0 3 347.503 2.602 20 10 EFCDHN COc1ccc(CNCc2ccc(OC(C)C)nc2)c(O)c1OC ZINC000892599894 718326441 /nfs/dbraw/zinc/32/64/41/718326441.db2.gz DFIKIIYGJFWGOV-UHFFFAOYSA-N 0 3 332.400 2.881 20 10 EFCDHN CCCOc1ccc(CNCc2ccc(OC)c(OC)c2O)cn1 ZINC000892603962 718331891 /nfs/dbraw/zinc/33/18/91/718331891.db2.gz WBUFSXJFZFHMAN-UHFFFAOYSA-N 0 3 332.400 2.883 20 10 EFCDHN COc1cccc(CNCc2ccc(OC)c(OC)c2O)c1OC ZINC000892633216 718359516 /nfs/dbraw/zinc/35/95/16/718359516.db2.gz ZTGJASLNSZPVLO-UHFFFAOYSA-N 0 3 333.384 2.716 20 10 EFCDHN C[C@H](NCc1cnn(C)c1C1CC1)c1ccc(N2CCOCC2)cc1 ZINC000892730347 719061236 /nfs/dbraw/zinc/06/12/36/719061236.db2.gz GQWAKBWCFQWULW-HNNXBMFYSA-N 0 3 340.471 2.985 20 10 EFCDHN COc1ccc(CN[C@H]2CCCc3nc(C)ncc32)c(O)c1OC ZINC000892949239 719315496 /nfs/dbraw/zinc/31/54/96/719315496.db2.gz OKAHJCWECVANQU-AWEZNQCLSA-N 0 3 329.400 2.675 20 10 EFCDHN CCO[C@H]1C[C@](N)(C(=O)N(CC)Cc2ccc(N(C)C)cc2)C1(C)C ZINC000328533712 719323903 /nfs/dbraw/zinc/32/39/03/719323903.db2.gz QUSYIKYCBXAOOI-PXNSSMCTSA-N 0 3 347.503 2.634 20 10 EFCDHN CCO[C@@H]1C[C@](N)(C(=O)N(CC)Cc2ccc(N(C)C)cc2)C1(C)C ZINC000328533714 719324108 /nfs/dbraw/zinc/32/41/08/719324108.db2.gz QUSYIKYCBXAOOI-XLIONFOSSA-N 0 3 347.503 2.634 20 10 EFCDHN Cc1cccc(CN2CCN(c3ccccc3[N+](=O)[O-])CC2)c1O ZINC000179559837 719816139 /nfs/dbraw/zinc/81/61/39/719816139.db2.gz DPXFUMAITPOFLV-UHFFFAOYSA-N 0 3 327.384 2.931 20 10 EFCDHN COc1ccc(O)c([C@@H](C)NCC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000182350156 720118968 /nfs/dbraw/zinc/11/89/68/720118968.db2.gz PPMXWAYIDWODNZ-LLVKDONJSA-N 0 3 345.355 2.598 20 10 EFCDHN CC[C@H]1CN(C(C)=O)[C@@H](CC)CN1Cc1cc(C)cc(OC)c1O ZINC000894053321 720253044 /nfs/dbraw/zinc/25/30/44/720253044.db2.gz JBHLGVFVNBSIRC-IRXDYDNUSA-N 0 3 334.460 2.931 20 10 EFCDHN COc1cc(C)cc(CN2CCC([C@H](O)C(F)(F)F)CC2)c1O ZINC000894072560 720267230 /nfs/dbraw/zinc/26/72/30/720267230.db2.gz KZAXMEHTYKETCC-HNNXBMFYSA-N 0 3 333.350 2.844 20 10 EFCDHN COc1ccc(N2CCN(C(=O)CN3[C@H](C)CCC[C@@H]3C)CC2)cc1 ZINC000015467297 720354728 /nfs/dbraw/zinc/35/47/28/720354728.db2.gz KOJHCKCQAJAOLI-CALCHBBNSA-N 0 3 345.487 2.607 20 10 EFCDHN CC[NH+](CC)Cc1cccc(CNC(=O)c2cccc(O)c2[O-])c1 ZINC000186966106 720489726 /nfs/dbraw/zinc/48/97/26/720489726.db2.gz FIQRRLOFECRIAS-UHFFFAOYSA-N 0 3 328.412 2.870 20 10 EFCDHN COc1cc(C)cc(CNCc2cccc(C(=O)N(C)C)c2)c1O ZINC000894166228 721025025 /nfs/dbraw/zinc/02/50/25/721025025.db2.gz WKYWAVQFOVIGIT-UHFFFAOYSA-N 0 3 328.412 2.701 20 10 EFCDHN C[C@H]1CCNC(=O)[C@H]1[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000195007632 721086952 /nfs/dbraw/zinc/08/69/52/721086952.db2.gz SYRFLMPKGVCGFT-LIRRHRJNSA-N 0 3 340.423 2.585 20 10 EFCDHN COc1cc(C)cc(CN[C@H](C)C(=O)NCc2ccccc2)c1O ZINC000894201299 721195727 /nfs/dbraw/zinc/19/57/27/721195727.db2.gz XZVNCEPHYFMLQW-CQSZACIVSA-N 0 3 328.412 2.504 20 10 EFCDHN COc1cc(C)cc(CN[C@@H]2C[C@@H](C)N(c3ccccc3)C2=O)c1O ZINC000894305124 722029240 /nfs/dbraw/zinc/02/92/40/722029240.db2.gz WSIIFWOBQUYYTM-RHSMWYFYSA-N 0 3 340.423 2.993 20 10 EFCDHN COc1ccc(CN2C[C@@H](O)C[C@H]2c2ccccc2)c(O)c1OC ZINC000894899878 723018325 /nfs/dbraw/zinc/01/83/25/723018325.db2.gz BWEJAMCLDXRPFU-HOTGVXAUSA-N 0 3 329.396 2.717 20 10 EFCDHN COc1ccc(CN2C[C@H](O)C[C@H]2c2ccccc2)c(O)c1OC ZINC000894899876 723018334 /nfs/dbraw/zinc/01/83/34/723018334.db2.gz BWEJAMCLDXRPFU-CVEARBPZSA-N 0 3 329.396 2.717 20 10 EFCDHN Cc1nnc([C@@H]2CC[N@H+](Cc3c([O-])cccc3Br)C2)[nH]1 ZINC000895013079 723050450 /nfs/dbraw/zinc/05/04/50/723050450.db2.gz XPWSCIZKLWCPMQ-SNVBAGLBSA-N 0 3 337.221 2.571 20 10 EFCDHN Cc1nnc([C@@H]2CC[N@@H+](Cc3c([O-])cccc3Br)C2)[nH]1 ZINC000895013079 723050451 /nfs/dbraw/zinc/05/04/51/723050451.db2.gz XPWSCIZKLWCPMQ-SNVBAGLBSA-N 0 3 337.221 2.571 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=O)N[C@@H]2CC23CCC3)N(C)C)cc1 ZINC000896318301 723251002 /nfs/dbraw/zinc/25/10/02/723251002.db2.gz FWPLXBACKPHZST-IAGOWNOFSA-N 0 3 330.476 2.597 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=O)N[C@H]2CC23CCC3)N(C)C)cc1 ZINC000896318303 723251036 /nfs/dbraw/zinc/25/10/36/723251036.db2.gz FWPLXBACKPHZST-SJORKVTESA-N 0 3 330.476 2.597 20 10 EFCDHN CCOc1ccc(C[NH+]2CCC(Cc3noc(C)n3)CC2)c([O-])c1 ZINC000896550471 723369004 /nfs/dbraw/zinc/36/90/04/723369004.db2.gz AQRHXCDGXBTQKC-UHFFFAOYSA-N 0 3 331.416 2.937 20 10 EFCDHN CC[N@H+](CCC(N)=O)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000896711359 723448608 /nfs/dbraw/zinc/44/86/08/723448608.db2.gz HCNZFFCBKUSHOD-UHFFFAOYSA-N 0 3 328.412 2.669 20 10 EFCDHN CC[N@@H+](CCC(N)=O)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000896711359 723448612 /nfs/dbraw/zinc/44/86/12/723448612.db2.gz HCNZFFCBKUSHOD-UHFFFAOYSA-N 0 3 328.412 2.669 20 10 EFCDHN CCOC(=O)CC[N@H+](Cc1ccc(OC)c(OC)c1[O-])C(C)C ZINC000895226765 723894026 /nfs/dbraw/zinc/89/40/26/723894026.db2.gz OYQQCEPKLVZMOM-UHFFFAOYSA-N 0 3 325.405 2.573 20 10 EFCDHN CCOC(=O)CC[N@@H+](Cc1ccc(OC)c(OC)c1[O-])C(C)C ZINC000895226765 723894030 /nfs/dbraw/zinc/89/40/30/723894030.db2.gz OYQQCEPKLVZMOM-UHFFFAOYSA-N 0 3 325.405 2.573 20 10 EFCDHN Cn1ccc(CNC2CCN(c3ccc(OC(F)F)cc3)CC2)n1 ZINC000727470326 724061802 /nfs/dbraw/zinc/06/18/02/724061802.db2.gz QXCFIRLJNNKEMW-UHFFFAOYSA-N 0 3 336.386 2.780 20 10 EFCDHN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000895393894 724108946 /nfs/dbraw/zinc/10/89/46/724108946.db2.gz JCQKJMJETUZDBY-VQIMIIECSA-N 0 3 346.519 2.728 20 10 EFCDHN COc1cc(Cl)cc(C[NH+]2CCC3(CC2)C[C@@H](O)CCO3)c1[O-] ZINC000897261320 724144907 /nfs/dbraw/zinc/14/49/07/724144907.db2.gz ZSIAGVAVEWHGKY-AWEZNQCLSA-N 0 3 341.835 2.560 20 10 EFCDHN COc1cc(Cl)cc(CN2CCC3(CC2)C[C@@H](O)CCO3)c1O ZINC000897261320 724144908 /nfs/dbraw/zinc/14/49/08/724144908.db2.gz ZSIAGVAVEWHGKY-AWEZNQCLSA-N 0 3 341.835 2.560 20 10 EFCDHN COc1ccc(C2=NO[C@H](C[NH2+]Cc3ccccc3[O-])C2)cc1F ZINC000895504451 724163727 /nfs/dbraw/zinc/16/37/27/724163727.db2.gz UNJWRGRWVDWVQO-AWEZNQCLSA-N 0 3 330.359 2.823 20 10 EFCDHN CCO/C=C\[C@@](O)(CNCc1ccc(OC)c(C)c1)C(F)(F)F ZINC000895706812 724266219 /nfs/dbraw/zinc/26/62/19/724266219.db2.gz IMKHJFZJFHYVGK-ZPIQOJFGSA-N 0 3 333.350 2.937 20 10 EFCDHN CCO/C=C\[C@](O)(CNCc1ccc2c(c1)CCO2)C(F)(F)F ZINC000895709303 724279863 /nfs/dbraw/zinc/27/98/63/724279863.db2.gz ZDRVXLQDZIBNSJ-LYASGUKUSA-N 0 3 331.334 2.555 20 10 EFCDHN CC(C)OC(=O)C1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000895827817 724327190 /nfs/dbraw/zinc/32/71/90/724327190.db2.gz CJGPXIPBBLBDNV-UHFFFAOYSA-N 0 3 346.471 2.687 20 10 EFCDHN C[C@H](Cn1cccn1)NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000915228673 726906829 /nfs/dbraw/zinc/90/68/29/726906829.db2.gz RFYXDSOMIHVAOP-OAHLLOKOSA-N 0 3 343.431 2.960 20 10 EFCDHN CCN1CCN(Cc2ccc(NC(=O)C3=CC(=O)CS3)cc2)CC1 ZINC000731869495 726949770 /nfs/dbraw/zinc/94/97/70/726949770.db2.gz JTSWWGXVTNZKEN-UHFFFAOYSA-N 0 3 345.468 2.844 20 10 EFCDHN COc1cc(C)cc(CN(C)C[C@H]2COc3ccccc3O2)c1O ZINC000915825351 727177545 /nfs/dbraw/zinc/17/75/45/727177545.db2.gz XJPXUBWUIGVJRI-HNNXBMFYSA-N 0 3 329.396 2.981 20 10 EFCDHN CC(C)CN(CC(N)=O)Cc1ccc(OCc2ccccc2)cc1O ZINC000182998975 727916857 /nfs/dbraw/zinc/91/68/57/727916857.db2.gz SCRFFNYLKWGHFT-UHFFFAOYSA-N 0 3 342.439 2.915 20 10 EFCDHN COc1ccc(O)c([C@H](C)NCC(=O)Nc2cccc(C#N)c2)c1 ZINC000182326928 728083837 /nfs/dbraw/zinc/08/38/37/728083837.db2.gz ZIKAYVKQGUFVMG-LBPRGKRZSA-N 0 3 325.368 2.562 20 10 EFCDHN COc1ccc(O)c([C@H](C)NCC(=O)NCc2ccc(C)cc2)c1 ZINC000182364127 728118110 /nfs/dbraw/zinc/11/81/10/728118110.db2.gz GEUIMNSDNXHSNI-AWEZNQCLSA-N 0 3 328.412 2.676 20 10 EFCDHN COc1ccc(O)c([C@@H](C)NCC(=O)Nc2oc(C)c(C)c2C#N)c1 ZINC000182387554 728131115 /nfs/dbraw/zinc/13/11/15/728131115.db2.gz BBRANPLLSACTRR-LLVKDONJSA-N 0 3 343.383 2.772 20 10 EFCDHN COc1ccc(O)c([C@@H](C)NCC(=O)Nc2cccc(C(C)=O)c2)c1 ZINC000182396050 728134861 /nfs/dbraw/zinc/13/48/61/728134861.db2.gz KAEUCHBMDPKNRZ-GFCCVEGCSA-N 0 3 342.395 2.893 20 10 EFCDHN O=C1C[C@H](NCc2ccc3c(c2)CCO3)CN1c1c(F)cccc1F ZINC000180222163 729711087 /nfs/dbraw/zinc/71/10/87/729711087.db2.gz KLNMXRWWTWZQJG-AWEZNQCLSA-N 0 3 344.361 2.795 20 10 EFCDHN CN(C)c1cc(F)c(CN[C@H](CO)Cc2ccc(F)cc2)cc1F ZINC000858154454 1126112761 /nfs/dbraw/zinc/11/27/61/1126112761.db2.gz ILPNWFPUZHQCQZ-HNNXBMFYSA-N 0 3 338.373 2.863 20 10 EFCDHN [O-]c1c(F)cc(F)cc1C[NH2+][C@@H](Cc1c[nH]nn1)c1ccccc1 ZINC001578050517 1090235940 /nfs/dbraw/zinc/23/59/40/1090235940.db2.gz BHNGOEBBCAYEAI-INIZCTEOSA-N 0 3 330.338 2.862 20 10 EFCDHN Nc1cccc(CNCc2cc(F)c(N3CCOCC3)c(F)c2)c1 ZINC001580457177 1090907227 /nfs/dbraw/zinc/90/72/27/1090907227.db2.gz NJUFKUOFUPOCPX-UHFFFAOYSA-N 0 3 333.382 2.673 20 10 EFCDHN CC[C@@H]([NH2+]Cc1ccc(-c2nnn[n-]2)c(OC)c1)c1ccccc1O ZINC001590467219 1093437862 /nfs/dbraw/zinc/43/78/62/1093437862.db2.gz SVIKNZSYGFWZMM-OAHLLOKOSA-N 0 3 339.399 2.822 20 10 EFCDHN CCCC[N@H+](Cc1ccccc1O)Cc1ccncc1-c1nnn[n-]1 ZINC001590603716 1093512777 /nfs/dbraw/zinc/51/27/77/1093512777.db2.gz FKSWVHUWBCOQJE-UHFFFAOYSA-N 0 3 338.415 2.770 20 10 EFCDHN CCCC[N@@H+](Cc1ccccc1O)Cc1ccncc1-c1nnn[n-]1 ZINC001590603716 1093512786 /nfs/dbraw/zinc/51/27/86/1093512786.db2.gz FKSWVHUWBCOQJE-UHFFFAOYSA-N 0 3 338.415 2.770 20 10 EFCDHN COc1cccc([C@@H](C)[NH2+][C@H](C)c2cccc(-c3nn[n-]n3)c2)c1O ZINC001591633946 1093807339 /nfs/dbraw/zinc/80/73/39/1093807339.db2.gz URFGXAHNCVUDJG-VXGBXAGGSA-N 0 3 339.399 2.993 20 10 EFCDHN COc1cccc([C@H](C)[NH2+][C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1O ZINC001591633945 1093809073 /nfs/dbraw/zinc/80/90/73/1093809073.db2.gz URFGXAHNCVUDJG-RYUDHWBXSA-N 0 3 339.399 2.993 20 10 EFCDHN COc1cc(C[NH2+][C@H](C)c2ccc(C)cc2O)ccc1-c1nnn[n-]1 ZINC001605219235 1097055940 /nfs/dbraw/zinc/05/59/40/1097055940.db2.gz XDQWXBMQLQDPKR-GFCCVEGCSA-N 0 3 339.399 2.740 20 10 EFCDHN Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2Cc3ccc(-c4nn[n-]n4)cc3C2)c1 ZINC001605876029 1097262244 /nfs/dbraw/zinc/26/22/44/1097262244.db2.gz ZIZLSOYDRNUITA-WBMJQRKESA-N 0 3 335.411 2.699 20 10 EFCDHN Cc1ccc(O)c([C@H](C)[NH2+][C@H]2Cc3ccc(-c4nn[n-]n4)cc3C2)c1 ZINC001605876027 1097262415 /nfs/dbraw/zinc/26/24/15/1097262415.db2.gz ZIZLSOYDRNUITA-LRDDRELGSA-N 0 3 335.411 2.699 20 10 EFCDHN CN(C)c1ccc(C[NH2+][C@@H]2CCc3ccc(-c4nnn[n-]4)cc32)cc1 ZINC001609270782 1098233440 /nfs/dbraw/zinc/23/34/40/1098233440.db2.gz YSIRWALEPQZYFQ-GOSISDBHSA-N 0 3 334.427 2.710 20 10 EFCDHN CN(C)c1ccc(C[NH2+][C@@H]2CCc3ccc(-c4nn[n-]n4)cc32)cc1 ZINC001609270782 1098233445 /nfs/dbraw/zinc/23/34/45/1098233445.db2.gz YSIRWALEPQZYFQ-GOSISDBHSA-N 0 3 334.427 2.710 20 10 EFCDHN CN(C)c1ccc(C[NH2+]Cc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC001609270618 1098233486 /nfs/dbraw/zinc/23/34/86/1098233486.db2.gz LTRIYVKKDQDZEY-UHFFFAOYSA-N 0 3 342.834 2.876 20 10 EFCDHN CCOc1ccc(N2CCN(C[C@H](O)Cc3ccccc3)CC2)cc1 ZINC000008697256 1099026280 /nfs/dbraw/zinc/02/62/80/1099026280.db2.gz YELBWNDHXPAHCV-HXUWFJFHSA-N 0 3 340.467 2.811 20 10 EFCDHN COc1cc(CN2CCCN(c3nc(C)ns3)CC2)c(O)cc1C ZINC000160310619 1102466435 /nfs/dbraw/zinc/46/64/35/1102466435.db2.gz ZRIIDNUIGBUFNP-UHFFFAOYSA-N 0 3 348.472 2.581 20 10 EFCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@H](Oc3cccc(F)c3)C1)[C@H](O)CO2 ZINC000784028545 1103388007 /nfs/dbraw/zinc/38/80/07/1103388007.db2.gz OMIGQQVWQXLGDZ-CRAIPNDOSA-N 0 3 345.370 2.610 20 10 EFCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@@H](Oc3cccc(F)c3)C1)[C@H](O)CO2 ZINC000784028545 1103388021 /nfs/dbraw/zinc/38/80/21/1103388021.db2.gz OMIGQQVWQXLGDZ-CRAIPNDOSA-N 0 3 345.370 2.610 20 10 EFCDHN CC1CCC(N2CCN(C(=O)NCCc3ccc(N)cc3)CC2)CC1 ZINC000841955315 1106042191 /nfs/dbraw/zinc/04/21/91/1106042191.db2.gz ZBEDJGXWOWVIQN-UHFFFAOYSA-N 0 3 344.503 2.717 20 10 EFCDHN CCCCN1C[C@@]2(CC1=O)CCCCN2Cc1cc(O)ccc1O ZINC001272385885 1108149430 /nfs/dbraw/zinc/14/94/30/1108149430.db2.gz GUYKPRFZGJHADR-IBGZPJMESA-N 0 3 332.444 2.855 20 10 EFCDHN COc1cccc([O-])c1C[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898451108 1108944268 /nfs/dbraw/zinc/94/42/68/1108944268.db2.gz IFRTZQOYAVVCDV-GOSISDBHSA-N 0 3 343.471 2.859 20 10 EFCDHN COC(=O)C1CCC([NH2+]Cc2cc(Cl)cc(OC)c2[O-])CC1 ZINC000898611427 1109029892 /nfs/dbraw/zinc/02/98/92/1109029892.db2.gz NIHLRSSNJFQIFK-UHFFFAOYSA-N 0 3 327.808 2.876 20 10 EFCDHN Cc1ccc(C[NH2+][C@@H]2CCc3ncc(Br)n3C2)c([O-])c1 ZINC000898720881 1109062563 /nfs/dbraw/zinc/06/25/63/1109062563.db2.gz NNSHODNBCMFJFI-GFCCVEGCSA-N 0 3 336.233 2.764 20 10 EFCDHN CC[C@H]1CCCN1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899101368 1109202092 /nfs/dbraw/zinc/20/20/92/1109202092.db2.gz JTUUNFOETMQLGN-WMZOPIPTSA-N 0 3 332.492 2.939 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=O)N(C)CCC2CC2)N(C)C)cc1 ZINC000899105469 1109203496 /nfs/dbraw/zinc/20/34/96/1109203496.db2.gz WWYGQVOEOUAWKB-GOSISDBHSA-N 0 3 332.492 2.797 20 10 EFCDHN CC(C)[C@@H]1CCN1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899100935 1109208363 /nfs/dbraw/zinc/20/83/63/1109208363.db2.gz DDCZUXIBGFUDCN-ROUUACIJSA-N 0 3 332.492 2.795 20 10 EFCDHN Cc1cc([O-])c(CN2C[C@H]3CCC[C@@]3([NH3+])C2)cc1Br ZINC001235247948 1111703236 /nfs/dbraw/zinc/70/32/36/1111703236.db2.gz IULOXIHWYLTOBW-IUODEOHRSA-N 0 3 325.250 2.776 20 10 EFCDHN CC(C)=CCN1C(=O)C[C@@]2(CCC[N@H+](Cc3ccccc3[O-])C2)C1=O ZINC001272618172 1111751916 /nfs/dbraw/zinc/75/19/16/1111751916.db2.gz CFONHJNNIIPBBR-HXUWFJFHSA-N 0 3 342.439 2.700 20 10 EFCDHN CC(C)=CCN1C(=O)C[C@@]2(CCC[N@@H+](Cc3ccccc3[O-])C2)C1=O ZINC001272618172 1111751917 /nfs/dbraw/zinc/75/19/17/1111751917.db2.gz CFONHJNNIIPBBR-HXUWFJFHSA-N 0 3 342.439 2.700 20 10 EFCDHN O=C1N(CC(F)F)CC[C@]12CCC[N@@H+](Cc1ccccc1[O-])CC2 ZINC001272618166 1111752202 /nfs/dbraw/zinc/75/22/02/1111752202.db2.gz CFOJVKUTRIYBOF-GOSISDBHSA-N 0 3 338.398 2.862 20 10 EFCDHN O=C1N(CC(F)F)CC[C@]12CCC[N@H+](Cc1ccccc1[O-])CC2 ZINC001272618166 1111752208 /nfs/dbraw/zinc/75/22/08/1111752208.db2.gz CFOJVKUTRIYBOF-GOSISDBHSA-N 0 3 338.398 2.862 20 10 EFCDHN O=C1C[C@@]2(CCC[N@@H+](Cc3ccccc3[O-])C2)C(=O)N1C1CCCC1 ZINC001272619435 1111755391 /nfs/dbraw/zinc/75/53/91/1111755391.db2.gz VRQSBLRMIVTGIW-HXUWFJFHSA-N 0 3 342.439 2.676 20 10 EFCDHN O=C1C[C@@]2(CCC[N@H+](Cc3ccccc3[O-])C2)C(=O)N1C1CCCC1 ZINC001272619435 1111755396 /nfs/dbraw/zinc/75/53/96/1111755396.db2.gz VRQSBLRMIVTGIW-HXUWFJFHSA-N 0 3 342.439 2.676 20 10 EFCDHN O=C1CC[C@@H]2[C@@H](CC[N@H+]2Cc2ccccc2[O-])N1Cc1ccncc1 ZINC001272619846 1111755631 /nfs/dbraw/zinc/75/56/31/1111755631.db2.gz ZZIJADAQLQVVPN-QZTJIDSGSA-N 0 3 337.423 2.553 20 10 EFCDHN O=C1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccccc2[O-])N1Cc1ccncc1 ZINC001272619846 1111755634 /nfs/dbraw/zinc/75/56/34/1111755634.db2.gz ZZIJADAQLQVVPN-QZTJIDSGSA-N 0 3 337.423 2.553 20 10 EFCDHN CC(=O)[C@H](C)N1C[C@]2(CC1=O)CCCCN2Cc1cc(C)ccc1O ZINC001272623136 1111761743 /nfs/dbraw/zinc/76/17/43/1111761743.db2.gz XPRCOJXJGLYXKH-MGPUTAFESA-N 0 3 344.455 2.635 20 10 EFCDHN COc1ccc(C[N@@H+]2CCC[C@]23CCN(CC=C(C)C)C3=O)c([O-])c1 ZINC001272624652 1111763596 /nfs/dbraw/zinc/76/35/96/1111763596.db2.gz AIFFOXIOMHFOTP-HXUWFJFHSA-N 0 3 344.455 2.934 20 10 EFCDHN COc1ccc(C[N@H+]2CCC[C@]23CCN(CC=C(C)C)C3=O)c([O-])c1 ZINC001272624652 1111763603 /nfs/dbraw/zinc/76/36/03/1111763603.db2.gz AIFFOXIOMHFOTP-HXUWFJFHSA-N 0 3 344.455 2.934 20 10 EFCDHN COc1ccc(C[N@@H+]2CC[C@]3(CCN(CC=C(C)C)C3=O)C2)c([O-])c1 ZINC001272625457 1111764851 /nfs/dbraw/zinc/76/48/51/1111764851.db2.gz KNHOKSUAQRTYKO-FQEVSTJZSA-N 0 3 344.455 2.791 20 10 EFCDHN COc1ccc(C[N@H+]2CC[C@]3(CCN(CC=C(C)C)C3=O)C2)c([O-])c1 ZINC001272625457 1111764858 /nfs/dbraw/zinc/76/48/58/1111764858.db2.gz KNHOKSUAQRTYKO-FQEVSTJZSA-N 0 3 344.455 2.791 20 10 EFCDHN CC[C@@H](C)NC(=O)[C@H]1CC12CC[NH+](Cc1ccc(OC)cc1[O-])CC2 ZINC001272625605 1111766207 /nfs/dbraw/zinc/76/62/07/1111766207.db2.gz MWCFSEWULKGQBD-RHSMWYFYSA-N 0 3 346.471 2.918 20 10 EFCDHN COc1ccc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC=C(C)C)c([O-])c1 ZINC001272626444 1111767643 /nfs/dbraw/zinc/76/76/43/1111767643.db2.gz XGQQHRUTYUYNOT-QZTJIDSGSA-N 0 3 344.455 2.932 20 10 EFCDHN COc1ccc(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC=C(C)C)c([O-])c1 ZINC001272626444 1111767648 /nfs/dbraw/zinc/76/76/48/1111767648.db2.gz XGQQHRUTYUYNOT-QZTJIDSGSA-N 0 3 344.455 2.932 20 10 EFCDHN CC[C@H](C)N1CC[C@]2(CCCN2Cc2cc(OC)ccc2O)C1=O ZINC001272637748 1111788597 /nfs/dbraw/zinc/78/85/97/1111788597.db2.gz NANKNLCTCGFHEC-IFXJQAMLSA-N 0 3 332.444 2.766 20 10 EFCDHN C[N@H+](Cc1cc(F)cc(Br)c1[O-])[C@H]1CCCC[C@H]1N ZINC001236216693 1112276829 /nfs/dbraw/zinc/27/68/29/1112276829.db2.gz LRDFGJBQTZMHIV-OLZOCXBDSA-N 0 3 331.229 2.996 20 10 EFCDHN C[N@@H+](Cc1cc(F)cc(Br)c1[O-])[C@H]1CCCC[C@H]1N ZINC001236216693 1112276833 /nfs/dbraw/zinc/27/68/33/1112276833.db2.gz LRDFGJBQTZMHIV-OLZOCXBDSA-N 0 3 331.229 2.996 20 10 EFCDHN Cc1cc(O)c(CN2CC[C@H](O)[C@@H](F)CC2)cc1Br ZINC001237676166 1118790113 /nfs/dbraw/zinc/79/01/13/1118790113.db2.gz GGAWOHAZVFHNRR-STQMWFEESA-N 0 3 332.213 2.758 20 10 EFCDHN Cc1cc([O-])c(C[N@@H+]2CC[C@H](O)[C@@H](F)CC2)cc1Br ZINC001237676166 1118790115 /nfs/dbraw/zinc/79/01/15/1118790115.db2.gz GGAWOHAZVFHNRR-STQMWFEESA-N 0 3 332.213 2.758 20 10 EFCDHN Cc1cc([O-])c(C[N@H+]2CC[C@H](O)[C@@H](F)CC2)cc1Br ZINC001237676166 1118790118 /nfs/dbraw/zinc/79/01/18/1118790118.db2.gz GGAWOHAZVFHNRR-STQMWFEESA-N 0 3 332.213 2.758 20 10 EFCDHN CCOCCCNC(=O)C1CC[NH+](Cc2cc(C)c(C)cc2[O-])CC1 ZINC000054548528 214245419 /nfs/dbraw/zinc/24/54/19/214245419.db2.gz NKJACFZNOMBRRH-UHFFFAOYSA-N 0 3 348.487 2.764 20 10 EFCDHN CC[C@H]([NH2+]CCS(=O)(=O)NCc1ccccc1)c1ccccc1[O-] ZINC000155338098 529605236 /nfs/dbraw/zinc/60/52/36/529605236.db2.gz UAWGCLIEBXTMNV-KRWDZBQOSA-N 0 3 348.468 2.553 20 10 EFCDHN Cc1cc([O-])c(C[NH+]2CCC(C(=O)NCC(F)(F)F)CC2)cc1C ZINC000040501218 213324056 /nfs/dbraw/zinc/32/40/56/213324056.db2.gz VNCOJBAQFKUQON-UHFFFAOYSA-N 0 3 344.377 2.900 20 10 EFCDHN COc1cccc(C(=O)NCCN[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000162392370 239089260 /nfs/dbraw/zinc/08/92/60/239089260.db2.gz HZJBDZOBHWNFFQ-OAHLLOKOSA-N 0 3 341.455 2.842 20 10 EFCDHN C[C@H](C(=O)NCc1ccc(N(C)C)c(F)c1)[C@@H](N)c1ccccc1 ZINC000166459317 239124789 /nfs/dbraw/zinc/12/47/89/239124789.db2.gz JVKNQUJAJGAHLO-SCLBCKFNSA-N 0 3 329.419 2.844 20 10 EFCDHN Cc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1cc3c(cc1[O-])CCCC3)CC2 ZINC000185317875 239598600 /nfs/dbraw/zinc/59/86/00/239598600.db2.gz TZUFZLQCGUIKRK-BLLLJJGKSA-N 0 3 326.444 2.837 20 10 EFCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000192027103 240019898 /nfs/dbraw/zinc/01/98/98/240019898.db2.gz JXQUCKPEHHRYIR-IBGZPJMESA-N 0 3 344.430 2.912 20 10 EFCDHN [O-]c1ccccc1C[NH2+]C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000192356971 240041440 /nfs/dbraw/zinc/04/14/40/240041440.db2.gz VSQAXNHEGAULST-IBGZPJMESA-N 0 3 326.440 2.773 20 10 EFCDHN CCN1CCN(c2ccc(CN[C@H](C)c3ccnn3C)cc2F)CC1 ZINC000192843139 240067194 /nfs/dbraw/zinc/06/71/94/240067194.db2.gz VBEFJVVLMUMEHN-OAHLLOKOSA-N 0 3 345.466 2.552 20 10 EFCDHN C[C@@H]1C[C@H](NC(=O)Cc2ccc(N)cc2)CCN1Cc1ccccc1 ZINC000237588424 240245220 /nfs/dbraw/zinc/24/52/20/240245220.db2.gz UHUAYPXFHPSREA-OXQOHEQNSA-N 0 3 337.467 2.981 20 10 EFCDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000246358533 240267851 /nfs/dbraw/zinc/26/78/51/240267851.db2.gz PULXXVFDERQMIE-VQIMIIECSA-N 0 3 342.487 2.544 20 10 EFCDHN [O-]c1ccccc1C[N@H+](C[C@@H](O)Cc1ccccc1)C[C@H]1CCCO1 ZINC000247591343 240282543 /nfs/dbraw/zinc/28/25/43/240282543.db2.gz NIHWEDKGRSLJJJ-VQTJNVASSA-N 0 3 341.451 2.977 20 10 EFCDHN [O-]c1ccccc1C[N@@H+](C[C@@H](O)Cc1ccccc1)C[C@H]1CCCO1 ZINC000247591343 240282550 /nfs/dbraw/zinc/28/25/50/240282550.db2.gz NIHWEDKGRSLJJJ-VQTJNVASSA-N 0 3 341.451 2.977 20 10 EFCDHN COc1cccc(CNCc2ccc(OC)c(OC)c2OC)c1O ZINC000263729234 240388445 /nfs/dbraw/zinc/38/84/45/240388445.db2.gz XSMLRDVOXZGXRE-UHFFFAOYSA-N 0 3 333.384 2.716 20 10 EFCDHN CCOc1cccc(CN[C@@H]2CCN(Cc3ccccc3)C2=O)c1O ZINC000263737533 240389765 /nfs/dbraw/zinc/38/97/65/240389765.db2.gz ZOCBEPKOKLMHRY-QGZVFWFLSA-N 0 3 340.423 2.682 20 10 EFCDHN COc1cccc(CNCc2ccncc2OC[C@@H]2CCOC2)c1O ZINC000288443566 241011334 /nfs/dbraw/zinc/01/13/34/241011334.db2.gz MDMMLDWZKBMRGG-CQSZACIVSA-N 0 3 344.411 2.501 20 10 EFCDHN CCOCc1cc(CN[C@@H]2COc3ccccc3[C@@H]2O)ccc1OC ZINC000288455346 241011846 /nfs/dbraw/zinc/01/18/46/241011846.db2.gz DIYMRRPOPIQFOU-XLIONFOSSA-N 0 3 343.423 2.816 20 10 EFCDHN C[C@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)CCN(C2CCC2)C1 ZINC000291645811 241027005 /nfs/dbraw/zinc/02/70/05/241027005.db2.gz KGDJUSUGMMUKEM-MRXNPFEDSA-N 0 3 344.503 2.768 20 10 EFCDHN O=C1[C@@H]([NH2+][C@@H]2CCc3cccc([O-])c32)CCCN1CC(F)(F)F ZINC000296664369 241094180 /nfs/dbraw/zinc/09/41/80/241094180.db2.gz FLEQSQOGVOKWPX-NEPJUHHUSA-N 0 3 328.334 2.522 20 10 EFCDHN C[C@H]1CN(c2ccc(C[NH2+][C@@H]3CCc4cccc([O-])c43)cn2)CCO1 ZINC000295872366 241064725 /nfs/dbraw/zinc/06/47/25/241064725.db2.gz HEXMUFRCAIYTOG-WMLDXEAASA-N 0 3 339.439 2.789 20 10 EFCDHN C[C@@H]1CN(c2ccc(C[NH2+][C@H]3CCc4cccc([O-])c43)cn2)CCO1 ZINC000295872363 241064892 /nfs/dbraw/zinc/06/48/92/241064892.db2.gz HEXMUFRCAIYTOG-PBHICJAKSA-N 0 3 339.439 2.789 20 10 EFCDHN CN(C)c1ccc(CNC(=O)CNC(C)(C)c2ccccc2)cc1 ZINC000298266704 241145651 /nfs/dbraw/zinc/14/56/51/241145651.db2.gz WEKVQBYJOYVHIX-UHFFFAOYSA-N 0 3 325.456 2.894 20 10 EFCDHN CCN(CC)c1ccc(CNC(=O)NC2CCN(CC)CC2)cc1 ZINC000298956785 241164236 /nfs/dbraw/zinc/16/42/36/241164236.db2.gz FWONUOOLSSYDPP-UHFFFAOYSA-N 0 3 332.492 2.816 20 10 EFCDHN [O-]c1cccc2c1[C@H]([NH2+]CCNc1nccc(C(F)(F)F)n1)CC2 ZINC000297744210 241132422 /nfs/dbraw/zinc/13/24/22/241132422.db2.gz OBPRJUJUAZFJGH-LLVKDONJSA-N 0 3 338.333 2.890 20 10 EFCDHN C[C@@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1)c1cc2c(cc1[O-])CCCC2 ZINC000363866855 242284710 /nfs/dbraw/zinc/28/47/10/242284710.db2.gz JKKIUWOYSHRUEP-PBHICJAKSA-N 0 3 340.471 2.934 20 10 EFCDHN COc1cc(Br)cc(CN2CCC[C@](C)(O)CC2)c1O ZINC000366245981 242348166 /nfs/dbraw/zinc/34/81/66/242348166.db2.gz ITXSUOULBHVUCY-HNNXBMFYSA-N 0 3 344.249 2.900 20 10 EFCDHN Cc1cc([O-])c(C[NH+]2CCC(CCN3CCOCC3)CC2)cc1C ZINC000365431673 242325254 /nfs/dbraw/zinc/32/52/54/242325254.db2.gz UWZGNQIAHDOGFV-UHFFFAOYSA-N 0 3 332.488 2.943 20 10 EFCDHN O[C@@H]1CCC[C@@H]1N1CCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000367460674 242382463 /nfs/dbraw/zinc/38/24/63/242382463.db2.gz GYXQNVWRQLGCKB-LEWJYISDSA-N 0 3 343.515 2.708 20 10 EFCDHN CC1(C)CN(Cc2ccc(N3CCOCC3)cc2)[C@H]1[C@@H]1CCCO1 ZINC000367940017 242396524 /nfs/dbraw/zinc/39/65/24/242396524.db2.gz BJOPYJWCIVZKDK-OALUTQOASA-N 0 3 330.472 2.913 20 10 EFCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(c3ccccc3C(N)=O)C2)c([O-])c1 ZINC000373255284 242462862 /nfs/dbraw/zinc/46/28/62/242462862.db2.gz JLMNOHFRZNYDRC-LSDHHAIUSA-N 0 3 339.439 2.729 20 10 EFCDHN C[C@@H](C(=O)NCc1ccc(N(C)C)c(F)c1)[C@@H](N)c1ccccc1 ZINC000166459456 533282555 /nfs/dbraw/zinc/28/25/55/533282555.db2.gz JVKNQUJAJGAHLO-FZKQIMNGSA-N 0 3 329.419 2.844 20 10 EFCDHN C[C@@H]1C[C@@H](NC(=O)NCc2ccc(N3CCCC3)cc2)CN1C1CC1 ZINC000177708228 533625269 /nfs/dbraw/zinc/62/52/69/533625269.db2.gz HOLOFGSEZADYQP-NVXWUHKLSA-N 0 3 342.487 2.711 20 10 EFCDHN COCCOC1(C[NH2+][C@H](C)c2c(C)cc(C)cc2[O-])CCOCC1 ZINC000296567077 292566350 /nfs/dbraw/zinc/56/63/50/292566350.db2.gz SPOVUAQHNOAMAU-MRXNPFEDSA-N 0 3 337.460 2.872 20 10 EFCDHN C[C@H]1C[C@H](NC(=O)N(C)Cc2ccc(N(C)C)cc2)CN1C1CC1 ZINC000127329823 544630715 /nfs/dbraw/zinc/63/07/15/544630715.db2.gz UAPZWUMYSWZKRW-HOCLYGCPSA-N 0 3 330.476 2.519 20 10 EFCDHN CCc1cc(N2CCC([NH2+][C@@H]3CCc4cccc([O-])c43)CC2)ncn1 ZINC000297637492 273767819 /nfs/dbraw/zinc/76/78/19/273767819.db2.gz JQRMMYQCACBZDX-QGZVFWFLSA-N 0 3 338.455 2.991 20 10 EFCDHN CCOc1ccc(O)c(CN2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)c1 ZINC000278424415 276375192 /nfs/dbraw/zinc/37/51/92/276375192.db2.gz SAVZKVDFRJIECH-IAQYHMDHSA-N 0 3 333.350 2.926 20 10 EFCDHN CCOc1cccc(CN[C@](C)(CC(=O)OC)c2ccncc2)c1O ZINC000191905574 276380777 /nfs/dbraw/zinc/38/07/77/276380777.db2.gz ZLAIWDNEKDARED-LJQANCHMSA-N 0 3 344.411 2.754 20 10 EFCDHN CC[C@H]([NH2+]C1CCN([C@@H]2CCC[C@H]2O)CC1)c1ccc(F)cc1[O-] ZINC000286017021 288035932 /nfs/dbraw/zinc/03/59/32/288035932.db2.gz IKVSKYKSPFFJED-RCCFBDPRSA-N 0 3 336.451 2.950 20 10 EFCDHN CC[C@@H]([NH2+][C@@H](C)c1cc2c(cc1[O-])CCCC2)C(=O)N1CCOCC1 ZINC000185665248 280192348 /nfs/dbraw/zinc/19/23/48/280192348.db2.gz GNUANOKGFZGLHY-KBXCAEBGSA-N 0 3 346.471 2.559 20 10 EFCDHN COc1cccc(C[NH2+]CC2(N3CCCCC3)CCOCC2)c1[O-] ZINC000111403836 473210509 /nfs/dbraw/zinc/21/05/09/473210509.db2.gz BLKGRTRSFDZYSN-UHFFFAOYSA-N 0 3 334.460 2.526 20 10 EFCDHN CC[C@@H]([NH2+]Cc1cccc(S(=O)(=O)NC)c1)c1ccccc1[O-] ZINC000095940782 473225612 /nfs/dbraw/zinc/22/56/12/473225612.db2.gz IUXXSQICYQPXGD-MRXNPFEDSA-N 0 3 334.441 2.541 20 10 EFCDHN [O-]c1c(Br)cccc1CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000112017216 473238554 /nfs/dbraw/zinc/23/85/54/473238554.db2.gz HKDGIJYNKBDKLU-QWHCGFSZSA-N 0 3 325.250 2.871 20 10 EFCDHN [O-]c1c(Br)cccc1CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000112017216 473238559 /nfs/dbraw/zinc/23/85/59/473238559.db2.gz HKDGIJYNKBDKLU-QWHCGFSZSA-N 0 3 325.250 2.871 20 10 EFCDHN [O-]c1c(Br)cccc1CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000112017213 473238606 /nfs/dbraw/zinc/23/86/06/473238606.db2.gz HKDGIJYNKBDKLU-CHWSQXEVSA-N 0 3 325.250 2.871 20 10 EFCDHN [O-]c1c(Br)cccc1CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000112017213 473238610 /nfs/dbraw/zinc/23/86/10/473238610.db2.gz HKDGIJYNKBDKLU-CHWSQXEVSA-N 0 3 325.250 2.871 20 10 EFCDHN COc1ccc([O-])c([C@H](C)[NH2+]CCc2nnc3n2CCCCC3)c1 ZINC000184955615 473283098 /nfs/dbraw/zinc/28/30/98/473283098.db2.gz GPFFWCTYQCBAST-ZDUSSCGKSA-N 0 3 330.432 2.612 20 10 EFCDHN C[C@@](O)(C[NH2+]Cc1cc2c(cc1[O-])OCO2)c1cccc(Cl)c1 ZINC000185111405 473332814 /nfs/dbraw/zinc/33/28/14/473332814.db2.gz MQXWJAFTTNDIOH-QGZVFWFLSA-N 0 3 335.787 2.772 20 10 EFCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@]2(N3CCOCC3)CCSC2)c([O-])c1 ZINC000185141101 473341124 /nfs/dbraw/zinc/34/11/24/473341124.db2.gz DCYREARORHVXGU-QAPCUYQASA-N 0 3 336.501 2.559 20 10 EFCDHN CN(Cc1ccc(N2CCOCC2)cc1)C[C@@H](O)c1ccccc1 ZINC000016387316 471934968 /nfs/dbraw/zinc/93/49/68/471934968.db2.gz CCLHIONDHKKSJE-HXUWFJFHSA-N 0 3 326.440 2.689 20 10 EFCDHN CNS(=O)(=O)c1cccc([C@H](C)NCc2ccc(N(C)C)cc2)c1 ZINC000067010461 471982299 /nfs/dbraw/zinc/98/22/99/471982299.db2.gz BYUQGDVHFZAGMF-AWEZNQCLSA-N 0 3 347.484 2.512 20 10 EFCDHN CN(C)[C@H]1Cc2ccccc2N(C(=O)/C=C/c2cncc(F)c2)C1 ZINC000067207537 472005842 /nfs/dbraw/zinc/00/58/42/472005842.db2.gz WPFOFHYLJBFYHT-OZSKJFCKSA-N 0 3 325.387 2.753 20 10 EFCDHN CSC[C@H]1CCCN1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000128136410 472406684 /nfs/dbraw/zinc/40/66/84/472406684.db2.gz YKAODLQXDXXGQB-QGZVFWFLSA-N 0 3 335.517 2.538 20 10 EFCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]C[C@@H](O)C1CCOCC1 ZINC000076906403 472422513 /nfs/dbraw/zinc/42/25/13/472422513.db2.gz HWGLDFDUGPBWFZ-HXUWFJFHSA-N 0 3 327.424 2.936 20 10 EFCDHN O=C(C[N@@H+](Cc1ccccc1[O-])C1CCCC1)NCC(F)(F)F ZINC000069819292 472443761 /nfs/dbraw/zinc/44/37/61/472443761.db2.gz BQUVVRXCXVHYGD-UHFFFAOYSA-N 0 3 330.350 2.815 20 10 EFCDHN O=C(C[N@H+](Cc1ccccc1[O-])C1CCCC1)NCC(F)(F)F ZINC000069819292 472443767 /nfs/dbraw/zinc/44/37/67/472443767.db2.gz BQUVVRXCXVHYGD-UHFFFAOYSA-N 0 3 330.350 2.815 20 10 EFCDHN COc1ccc(C(=O)NCCN[C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000089514406 472452719 /nfs/dbraw/zinc/45/27/19/472452719.db2.gz GCNRDYPEOIHICI-HNNXBMFYSA-N 0 3 341.455 2.842 20 10 EFCDHN C[C@@H](N[C@@H]1CCN(CC(F)(F)F)C1=O)c1ccc(N(C)C)cc1 ZINC000089619095 472470430 /nfs/dbraw/zinc/47/04/30/472470430.db2.gz NDBPRYAHRJROPM-BXUZGUMPSA-N 0 3 329.366 2.566 20 10 EFCDHN CCN(C)c1ccc([C@H](C)N[C@@H]2CCN(CC(F)(F)F)C2=O)cc1 ZINC000089619911 472470743 /nfs/dbraw/zinc/47/07/43/472470743.db2.gz XYPITAUUWSUIQB-SWLSCSKDSA-N 0 3 343.393 2.957 20 10 EFCDHN CN(CCC(=O)OC(C)(C)C)Cc1ccc(N2CCOCC2)cc1 ZINC000097270869 472488177 /nfs/dbraw/zinc/48/81/77/472488177.db2.gz BFDRYEMWBCVHRA-UHFFFAOYSA-N 0 3 334.460 2.687 20 10 EFCDHN CCCOc1ccc(CN2CCCN(C(=O)C3CC3)CC2)c(O)c1 ZINC000119099896 472526508 /nfs/dbraw/zinc/52/65/08/472526508.db2.gz DNROQEFSNRMBGY-UHFFFAOYSA-N 0 3 332.444 2.625 20 10 EFCDHN CCN1CCN(c2ccc(CN[C@@H](C)c3cnccn3)cc2F)CC1 ZINC000155282409 472526830 /nfs/dbraw/zinc/52/68/30/472526830.db2.gz KASAFHFMPONVEU-HNNXBMFYSA-N 0 3 343.450 2.608 20 10 EFCDHN CC[C@H]([NH2+]CCNS(=O)(=O)c1ccc(C)cc1)c1ccccc1[O-] ZINC000155387650 472541423 /nfs/dbraw/zinc/54/14/23/472541423.db2.gz IBEHNXSTDAVMPC-KRWDZBQOSA-N 0 3 348.468 2.720 20 10 EFCDHN CCCN(Cc1ccccc1O)C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000130717312 472623346 /nfs/dbraw/zinc/62/33/46/472623346.db2.gz HHBTYRNMNCCZNF-ZBFHGGJFSA-N 0 3 331.460 2.939 20 10 EFCDHN CN(C)CCOc1ccc(NCc2cc3c(cc2O)OCO3)cc1 ZINC000120138272 472637085 /nfs/dbraw/zinc/63/70/85/472637085.db2.gz RDXJHVCBQABSHJ-UHFFFAOYSA-N 0 3 330.384 2.673 20 10 EFCDHN Cc1cc(C(=O)N2CCC[C@@H](N(C)C)C2)c(C)n1-c1ccccn1 ZINC000105327133 472746851 /nfs/dbraw/zinc/74/68/51/472746851.db2.gz JEQMXKYRMCWMAP-MRXNPFEDSA-N 0 3 326.444 2.655 20 10 EFCDHN CC[C@H]([NH2+]C[C@@H](O)CN1CCc2ccccc2C1)c1ccccc1[O-] ZINC000121086186 472795810 /nfs/dbraw/zinc/79/58/10/472795810.db2.gz ZAWVKZGHMGKYCV-QUCCMNQESA-N 0 3 340.467 2.852 20 10 EFCDHN Cc1cc([O-])c(C[N@H+]2CCC[C@H]([C@H](O)c3nccn3C)C2)cc1C ZINC000092010977 472841605 /nfs/dbraw/zinc/84/16/05/472841605.db2.gz JCXBIUJLSBRNNU-YJBOKZPZSA-N 0 3 329.444 2.688 20 10 EFCDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@H]([C@H](O)c3nccn3C)C2)cc1C ZINC000092010977 472841610 /nfs/dbraw/zinc/84/16/10/472841610.db2.gz JCXBIUJLSBRNNU-YJBOKZPZSA-N 0 3 329.444 2.688 20 10 EFCDHN COc1cccc(CN2CCC(CC(=O)N3CCCC3)CC2)c1O ZINC000092056675 472849506 /nfs/dbraw/zinc/84/95/06/472849506.db2.gz VSUXIHGLSSWTBK-UHFFFAOYSA-N 0 3 332.444 2.625 20 10 EFCDHN COc1cccc(C[NH+]2CCC(CC(=O)N3CCCC3)CC2)c1[O-] ZINC000092056675 472849514 /nfs/dbraw/zinc/84/95/14/472849514.db2.gz VSUXIHGLSSWTBK-UHFFFAOYSA-N 0 3 332.444 2.625 20 10 EFCDHN O=C1NCCN1[C@H]1CCCN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC000092188366 472871593 /nfs/dbraw/zinc/87/15/93/472871593.db2.gz PEQAAMNPDYDJJF-IBGZPJMESA-N 0 3 342.487 2.667 20 10 EFCDHN CCN(CC)c1ccc(CNC(=O)N2CC[C@@H]3CC[C@H](C2)N3C)cc1 ZINC000073778694 472874061 /nfs/dbraw/zinc/87/40/61/472874061.db2.gz DHZMGTOYHLKTQL-PKOBYXMFSA-N 0 3 344.503 2.911 20 10 EFCDHN Cc1cc(O)c(CN(C)[C@H](C)c2cccc(S(N)(=O)=O)c2)cc1C ZINC000092585518 472940550 /nfs/dbraw/zinc/94/05/50/472940550.db2.gz KWZOMPJAONKMPM-CQSZACIVSA-N 0 3 348.468 2.849 20 10 EFCDHN C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)Cc1ccc(N(C)C)cc1 ZINC000092585294 472941013 /nfs/dbraw/zinc/94/10/13/472941013.db2.gz YJVYIPZRDLAFPF-AWEZNQCLSA-N 0 3 347.484 2.593 20 10 EFCDHN CCOc1ccc([O-])c(C[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)c1 ZINC000093134428 473049144 /nfs/dbraw/zinc/04/91/44/473049144.db2.gz YRFGLPLMWNEILK-CQSZACIVSA-N 0 3 342.443 2.708 20 10 EFCDHN CCOc1ccc([O-])c(C[N@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)c1 ZINC000093134428 473049147 /nfs/dbraw/zinc/04/91/47/473049147.db2.gz YRFGLPLMWNEILK-CQSZACIVSA-N 0 3 342.443 2.708 20 10 EFCDHN CN(C)c1ccc(CN2CCC[C@@H](c3nnc4n3CCC4)C2)cc1 ZINC000093133796 473049537 /nfs/dbraw/zinc/04/95/37/473049537.db2.gz CPWQKJAUXLORFL-MRXNPFEDSA-N 0 3 325.460 2.670 20 10 EFCDHN CCOc1cccc(C[NH+]2CCC3(CC2)[C@@H](O)C[C@@H]3OCC)c1[O-] ZINC000093613658 473126009 /nfs/dbraw/zinc/12/60/09/473126009.db2.gz UOQQSOPEZGBNDL-IRXDYDNUSA-N 0 3 335.444 2.543 20 10 EFCDHN CCOc1ccc([O-])c(C[N@H+](C)CC(C)(C)CN2CCOCC2)c1 ZINC000093769711 473143454 /nfs/dbraw/zinc/14/34/54/473143454.db2.gz SEPDMPOEILALBW-UHFFFAOYSA-N 0 3 336.476 2.581 20 10 EFCDHN CCOc1ccc([O-])c(C[N@@H+](C)CC(C)(C)CN2CCOCC2)c1 ZINC000093769711 473143457 /nfs/dbraw/zinc/14/34/57/473143457.db2.gz SEPDMPOEILALBW-UHFFFAOYSA-N 0 3 336.476 2.581 20 10 EFCDHN CN(Cc1ccc(N2CCOCC2)cc1)[C@H]1CCCc2c1cnn2C ZINC000093863960 473152319 /nfs/dbraw/zinc/15/23/19/473152319.db2.gz VJCXSNOOJJIMBP-IBGZPJMESA-N 0 3 340.471 2.766 20 10 EFCDHN C[C@@H](NCc1cccnc1N1CCOCC1)c1ccc(N(C)C)cc1 ZINC000151237252 473430070 /nfs/dbraw/zinc/43/00/70/473430070.db2.gz RNEPNYSXVYSQIK-MRXNPFEDSA-N 0 3 340.471 2.835 20 10 EFCDHN [O-]c1ccc(Cl)c(F)c1C[NH+]1CCC(CN2CCOCC2)CC1 ZINC000191228612 473512534 /nfs/dbraw/zinc/51/25/34/473512534.db2.gz KLULAGZMJZIARC-UHFFFAOYSA-N 0 3 342.842 2.729 20 10 EFCDHN CCN(CC)c1ccc(CNC(=O)[C@H](N)Cc2ccccc2)cc1 ZINC000178711441 473546143 /nfs/dbraw/zinc/54/61/43/473546143.db2.gz DYFXOWNLZAOJHE-LJQANCHMSA-N 0 3 325.456 2.719 20 10 EFCDHN COc1ccccc1N1CC[C@@H]([NH2+][C@@H](C)c2cc(F)ccc2[O-])C1=O ZINC000186102288 473591194 /nfs/dbraw/zinc/59/11/94/473591194.db2.gz VDUCJHXEGKRMFF-SWLSCSKDSA-N 0 3 344.386 2.996 20 10 EFCDHN COc1ccc([O-])c(C[NH2+]C2CCC(O)(c3cccnc3)CC2)c1 ZINC000186457780 473677067 /nfs/dbraw/zinc/67/70/67/473677067.db2.gz VQDZFFWZXCRJTC-UHFFFAOYSA-N 0 3 328.412 2.716 20 10 EFCDHN c1cc(N2CCOCC2)ccc1CN1CCSC2(CCOCC2)C1 ZINC000186492392 473681253 /nfs/dbraw/zinc/68/12/53/473681253.db2.gz PCLBEEWVDARTNB-UHFFFAOYSA-N 0 3 348.512 2.621 20 10 EFCDHN O=C(Nc1ccc(F)cc1)N[C@H]1CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000179565492 473695147 /nfs/dbraw/zinc/69/51/47/473695147.db2.gz DUGUBTZJZOKJMD-INIZCTEOSA-N 0 3 329.375 2.927 20 10 EFCDHN O=C(Nc1ccc(F)cc1)N[C@H]1CC[N@H+](Cc2ccccc2[O-])C1 ZINC000179565492 473695150 /nfs/dbraw/zinc/69/51/50/473695150.db2.gz DUGUBTZJZOKJMD-INIZCTEOSA-N 0 3 329.375 2.927 20 10 EFCDHN COc1ccc([O-])c(C[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)c1 ZINC000179623733 473699035 /nfs/dbraw/zinc/69/90/35/473699035.db2.gz ANJDEEXKPLCTOK-CQSZACIVSA-N 0 3 338.411 2.823 20 10 EFCDHN COc1ccc([O-])c(C[N@H+]2CCC[C@@H](c3nnc4ccccn43)C2)c1 ZINC000179623733 473699038 /nfs/dbraw/zinc/69/90/38/473699038.db2.gz ANJDEEXKPLCTOK-CQSZACIVSA-N 0 3 338.411 2.823 20 10 EFCDHN COc1ccc([O-])c(C[NH+]2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)c1 ZINC000179767334 473721326 /nfs/dbraw/zinc/72/13/26/473721326.db2.gz MVYPZVSFWVPKEH-OAHLLOKOSA-N 0 3 346.471 2.871 20 10 EFCDHN COc1ccc(O)c(CN2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)c1 ZINC000179767334 473721329 /nfs/dbraw/zinc/72/13/29/473721329.db2.gz MVYPZVSFWVPKEH-OAHLLOKOSA-N 0 3 346.471 2.871 20 10 EFCDHN COc1ccc(O)c(CN2CCC(NC(=O)c3ccsc3)CC2)c1 ZINC000179851285 473742678 /nfs/dbraw/zinc/74/26/78/473742678.db2.gz FJODSPVEVWOQKN-UHFFFAOYSA-N 0 3 346.452 2.857 20 10 EFCDHN CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2cc(OC)ccc2[O-])C1 ZINC000179938429 473759246 /nfs/dbraw/zinc/75/92/46/473759246.db2.gz VZXZEBNGMYUZLW-CABCVRRESA-N 0 3 334.460 2.918 20 10 EFCDHN CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2cc(OC)ccc2[O-])C1 ZINC000179938429 473759253 /nfs/dbraw/zinc/75/92/53/473759253.db2.gz VZXZEBNGMYUZLW-CABCVRRESA-N 0 3 334.460 2.918 20 10 EFCDHN COc1cc(Cl)cc(C[NH2+]CCc2cn3c(n2)SCC3)c1[O-] ZINC000274415946 473813648 /nfs/dbraw/zinc/81/36/48/473813648.db2.gz NKHAWBJKHKAAKN-UHFFFAOYSA-N 0 3 339.848 2.689 20 10 EFCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CCC(=O)N(C)C)c1[O-] ZINC000187125720 473821794 /nfs/dbraw/zinc/82/17/94/473821794.db2.gz RQMHVIJTFXOTCJ-JTQLQIEISA-N 0 3 329.238 2.592 20 10 EFCDHN C[C@H]1C[C@H](NC(=O)c2cccc(O)c2[O-])CC[N@@H+]1Cc1ccccc1 ZINC000187171152 473830013 /nfs/dbraw/zinc/83/00/13/473830013.db2.gz JYCLSZKVYNFZMK-GOEBONIOSA-N 0 3 340.423 2.881 20 10 EFCDHN C[C@H]1C[C@H](NC(=O)c2cccc(O)c2[O-])CC[N@H+]1Cc1ccccc1 ZINC000187171152 473830020 /nfs/dbraw/zinc/83/00/20/473830020.db2.gz JYCLSZKVYNFZMK-GOEBONIOSA-N 0 3 340.423 2.881 20 10 EFCDHN CCCOc1ccc(C[NH+]2CCC(CC(=O)N(C)C)CC2)c([O-])c1 ZINC000180329575 473854267 /nfs/dbraw/zinc/85/42/67/473854267.db2.gz FJAVHBYAXFQMKC-UHFFFAOYSA-N 0 3 334.460 2.871 20 10 EFCDHN CCOCc1cc(CN[C@@H](CO)Cc2ccccc2)ccc1OC ZINC000187366113 473863454 /nfs/dbraw/zinc/86/34/54/473863454.db2.gz GPFNXGCEHVJMAT-LJQANCHMSA-N 0 3 329.440 2.925 20 10 EFCDHN CCCOc1ccc(C[NH2+][C@H](CO)C[C@H](O)c2ccccc2)c([O-])c1 ZINC000269914010 473915929 /nfs/dbraw/zinc/91/59/29/473915929.db2.gz IXHKLLVJKQYZLN-HKUYNNGSSA-N 0 3 345.439 2.755 20 10 EFCDHN CCN(C)C(=O)[C@H](C)[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000188046690 473963405 /nfs/dbraw/zinc/96/34/05/473963405.db2.gz WEKYYEOGJLJXGG-HNNXBMFYSA-N 0 3 342.439 2.928 20 10 EFCDHN C[C@H](NCc1cc2c(cc1O)OCO2)c1ccc([S@](C)=O)cc1 ZINC000270072307 473979471 /nfs/dbraw/zinc/97/94/71/473979471.db2.gz IDYLCTOKMKSJQC-RULNZOCKSA-N 0 3 333.409 2.709 20 10 EFCDHN CCCOc1ccc(CN[C@]2(CO)CCOc3ccccc32)c(O)c1 ZINC000282247051 473997130 /nfs/dbraw/zinc/99/71/30/473997130.db2.gz GKAFIIHHFUJANA-FQEVSTJZSA-N 0 3 343.423 2.941 20 10 EFCDHN COc1cccc(C[NH+]2CCC(c3nnc4n3CCCC4)CC2)c1[O-] ZINC000274914834 474012216 /nfs/dbraw/zinc/01/22/16/474012216.db2.gz KRRQQBQMEOGOMW-UHFFFAOYSA-N 0 3 342.443 2.708 20 10 EFCDHN CCCC[N@H+](Cc1ccccc1[O-])[C@H](C)C(=O)NC(=O)NC(C)C ZINC000282322020 474021836 /nfs/dbraw/zinc/02/18/36/474021836.db2.gz ADLOMKOHUDWPRA-CQSZACIVSA-N 0 3 335.448 2.617 20 10 EFCDHN CCCC[N@@H+](Cc1ccccc1[O-])[C@H](C)C(=O)NC(=O)NC(C)C ZINC000282322020 474021842 /nfs/dbraw/zinc/02/18/42/474021842.db2.gz ADLOMKOHUDWPRA-CQSZACIVSA-N 0 3 335.448 2.617 20 10 EFCDHN CCCOc1ccc(C[NH2+][C@@H]2COc3ccccc3[C@@H]2O)c([O-])c1 ZINC000288715570 474030010 /nfs/dbraw/zinc/03/00/10/474030010.db2.gz ZOBVHSYMGZPSTL-APWZRJJASA-N 0 3 329.396 2.765 20 10 EFCDHN C[C@@H](NCC(=O)NCCc1ccccc1)c1ccc(N(C)C)cc1 ZINC000181402010 474032532 /nfs/dbraw/zinc/03/25/32/474032532.db2.gz IRSANRVKDYJMCW-MRXNPFEDSA-N 0 3 325.456 2.762 20 10 EFCDHN Cc1cc([O-])c(C[N@@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)cc1C ZINC000275032650 474048414 /nfs/dbraw/zinc/04/84/14/474048414.db2.gz SPONWPBILOCQOP-GFCCVEGCSA-N 0 3 330.350 2.509 20 10 EFCDHN Cc1cc([O-])c(C[N@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)cc1C ZINC000275032650 474048421 /nfs/dbraw/zinc/04/84/21/474048421.db2.gz SPONWPBILOCQOP-GFCCVEGCSA-N 0 3 330.350 2.509 20 10 EFCDHN CCCC[N@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)NC[C@@H]1CCCO1 ZINC000282445796 474068194 /nfs/dbraw/zinc/06/81/94/474068194.db2.gz LIRNGQLMDACPLJ-RDJZCZTQSA-N 0 3 334.460 2.678 20 10 EFCDHN CCCC[N@@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)NC[C@@H]1CCCO1 ZINC000282445796 474068200 /nfs/dbraw/zinc/06/82/00/474068200.db2.gz LIRNGQLMDACPLJ-RDJZCZTQSA-N 0 3 334.460 2.678 20 10 EFCDHN CCOc1cccc(C[N@@H+]2CCC[C@H](Cc3nccn3C)C2)c1[O-] ZINC000182088839 474096979 /nfs/dbraw/zinc/09/69/79/474096979.db2.gz NNCAABLSMGELGM-OAHLLOKOSA-N 0 3 329.444 2.979 20 10 EFCDHN CCOc1cccc(C[N@H+]2CCC[C@H](Cc3nccn3C)C2)c1[O-] ZINC000182088839 474096985 /nfs/dbraw/zinc/09/69/85/474096985.db2.gz NNCAABLSMGELGM-OAHLLOKOSA-N 0 3 329.444 2.979 20 10 EFCDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@H](O)COC1CCOCC1 ZINC000282550598 474107633 /nfs/dbraw/zinc/10/76/33/474107633.db2.gz XCUJJXYRWOTRRR-KRWDZBQOSA-N 0 3 337.460 2.551 20 10 EFCDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@H](O)COC1CCOCC1 ZINC000282550598 474107639 /nfs/dbraw/zinc/10/76/39/474107639.db2.gz XCUJJXYRWOTRRR-KRWDZBQOSA-N 0 3 337.460 2.551 20 10 EFCDHN CCCC[N@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)NCCCOCC ZINC000282573044 474115197 /nfs/dbraw/zinc/11/51/97/474115197.db2.gz ZSROKZNWJKRMCJ-INIZCTEOSA-N 0 3 336.476 2.926 20 10 EFCDHN CCCC[N@@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)NCCCOCC ZINC000282573044 474115200 /nfs/dbraw/zinc/11/52/00/474115200.db2.gz ZSROKZNWJKRMCJ-INIZCTEOSA-N 0 3 336.476 2.926 20 10 EFCDHN C[C@H](CNC(=O)NCc1ccccc1O)N(C)Cc1ccccc1 ZINC000264803713 474132733 /nfs/dbraw/zinc/13/27/33/474132733.db2.gz UPEBAWIXASKELC-OAHLLOKOSA-N 0 3 327.428 2.712 20 10 EFCDHN Cc1ccc(C(=O)NC2CC[NH+](CC3CCCC3)CC2)c([O-])c1O ZINC000182251064 474134995 /nfs/dbraw/zinc/13/49/95/474134995.db2.gz UONFUMGKHZGVJZ-UHFFFAOYSA-N 0 3 332.444 2.791 20 10 EFCDHN CNC(=O)CCC[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-] ZINC000275299707 474135178 /nfs/dbraw/zinc/13/51/78/474135178.db2.gz HRNCDFBWAJASCZ-JTQLQIEISA-N 0 3 329.238 2.640 20 10 EFCDHN Cc1ccc(O)c(CNCc2ccnc(OC3CCOCC3)c2)c1 ZINC000264932023 474161126 /nfs/dbraw/zinc/16/11/26/474161126.db2.gz BAXWXXRULBHCEC-UHFFFAOYSA-N 0 3 328.412 2.943 20 10 EFCDHN CS(=O)(=O)[C@@H]1CCCC[C@@H]1NCc1ccc(N2CCCC2)cc1 ZINC000182385905 474163220 /nfs/dbraw/zinc/16/32/20/474163220.db2.gz RAWNJFWURXVTOM-ZWKOTPCHSA-N 0 3 336.501 2.732 20 10 EFCDHN COC1CCC(N(C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000265237883 474170523 /nfs/dbraw/zinc/17/05/23/474170523.db2.gz NZKQNVOWTNCXMX-UHFFFAOYSA-N 0 3 347.503 2.600 20 10 EFCDHN COc1cc([O-])c(C[NH2+]C[C@](C)(O)c2cc(C)oc2C)cc1OC ZINC000182456555 474180758 /nfs/dbraw/zinc/18/07/58/474180758.db2.gz LQXRRLYGHVUIHR-SFHVURJKSA-N 0 3 335.400 2.617 20 10 EFCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@H](O)COc2ccc(F)cc2)c1 ZINC000182457608 474181061 /nfs/dbraw/zinc/18/10/61/474181061.db2.gz QYMUBVKWQFIILC-OCCSQVGLSA-N 0 3 335.375 2.630 20 10 EFCDHN C[C@@H](NCCOCC(F)F)c1ccc(N2CCOCC2)c(F)c1 ZINC000188741640 474182164 /nfs/dbraw/zinc/18/21/64/474182164.db2.gz YNEWVIYIVUQVQD-GFCCVEGCSA-N 0 3 332.366 2.595 20 10 EFCDHN CCOC(=O)COc1ccc(CC[NH2+]Cc2cccc(C)c2[O-])cc1 ZINC000182481250 474187595 /nfs/dbraw/zinc/18/75/95/474187595.db2.gz KIXPOJPLRPEMIQ-UHFFFAOYSA-N 0 3 343.423 2.975 20 10 EFCDHN CCCOc1ccc(C[NH2+]C[C@@H]2CCO[C@H]2c2ccnn2C)c([O-])c1 ZINC000275450139 474188824 /nfs/dbraw/zinc/18/88/24/474188824.db2.gz GKSYGVYRRXQZDI-HNAYVOBHSA-N 0 3 345.443 2.782 20 10 EFCDHN CN1C(=O)C[C@@H]([NH2+]Cc2ccccc2[O-])[C@@H]1c1ccc(F)c(F)c1 ZINC000270693519 474224962 /nfs/dbraw/zinc/22/49/62/474224962.db2.gz WLLPHYZWDUSRAT-QAPCUYQASA-N 0 3 332.350 2.732 20 10 EFCDHN COc1ccc([O-])c(C[NH2+]CCOc2ncccc2C(F)(F)F)c1 ZINC000182659893 474227858 /nfs/dbraw/zinc/22/78/58/474227858.db2.gz RXLAMISQFRMCHT-UHFFFAOYSA-N 0 3 342.317 2.983 20 10 EFCDHN COc1ccc([O-])c(C[NH2+]C[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1 ZINC000182671865 474230646 /nfs/dbraw/zinc/23/06/46/474230646.db2.gz ZODRXQZNFQOZNW-INIZCTEOSA-N 0 3 340.423 2.539 20 10 EFCDHN C[C@H]1C[N@H+](Cc2c([O-])ccc3ccccc32)CCN1CC(C)(C)O ZINC000188966518 474248190 /nfs/dbraw/zinc/24/81/90/474248190.db2.gz UFVCIRHIEJCDTH-HNNXBMFYSA-N 0 3 328.456 2.822 20 10 EFCDHN C[C@H]1C[N@@H+](Cc2c([O-])ccc3ccccc32)CCN1CC(C)(C)O ZINC000188966518 474248194 /nfs/dbraw/zinc/24/81/94/474248194.db2.gz UFVCIRHIEJCDTH-HNNXBMFYSA-N 0 3 328.456 2.822 20 10 EFCDHN Cc1ccc(C(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c([O-])c1O ZINC000182911685 474286334 /nfs/dbraw/zinc/28/63/34/474286334.db2.gz IGSSNMRWMGROFV-KGLIPLIRSA-N 0 3 332.444 2.789 20 10 EFCDHN Cc1ccc(C(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c([O-])c1O ZINC000182911685 474286340 /nfs/dbraw/zinc/28/63/40/474286340.db2.gz IGSSNMRWMGROFV-KGLIPLIRSA-N 0 3 332.444 2.789 20 10 EFCDHN COc1cccc(CNCc2ccc3c(c2)CCC(=O)N3C)c1O ZINC000289475366 474287421 /nfs/dbraw/zinc/28/74/21/474287421.db2.gz PXIXXHFZMFMVHM-UHFFFAOYSA-N 0 3 326.396 2.600 20 10 EFCDHN Cc1ccc(NC(=O)NCc2ccccc2O)c(OCCN(C)C)c1 ZINC000265686812 474294940 /nfs/dbraw/zinc/29/49/40/474294940.db2.gz DHGHBTHGGDGPFX-UHFFFAOYSA-N 0 3 343.427 2.963 20 10 EFCDHN Cc1ccc(CN(CCN(C)C)Cc2cc3c(cc2O)OCO3)o1 ZINC000289502029 474300329 /nfs/dbraw/zinc/30/03/29/474300329.db2.gz SZCBRYNHLHTOJA-UHFFFAOYSA-N 0 3 332.400 2.586 20 10 EFCDHN CCOc1cccc(CN2CC[C@@H](C(F)(F)F)[C@H](CO)C2)c1O ZINC000289521193 474305811 /nfs/dbraw/zinc/30/58/11/474305811.db2.gz HDWLUYNPQPTXMQ-QWHCGFSZSA-N 0 3 333.350 2.784 20 10 EFCDHN CCOc1cccc(CN2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)c1O ZINC000289521183 474306934 /nfs/dbraw/zinc/30/69/34/474306934.db2.gz HDWLUYNPQPTXMQ-CHWSQXEVSA-N 0 3 333.350 2.784 20 10 EFCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+]CC1(O)CCOCC1 ZINC000183154217 474338817 /nfs/dbraw/zinc/33/88/17/474338817.db2.gz RXXXSNVDBUZSJE-UHFFFAOYSA-N 0 3 343.423 2.602 20 10 EFCDHN CCCOc1ccc(C[N@@H+]2CCOCC3(CCOCC3)C2)c([O-])c1 ZINC000183266082 474362426 /nfs/dbraw/zinc/36/24/26/474362426.db2.gz DCCSYJHIPDAXKL-UHFFFAOYSA-N 0 3 335.444 2.810 20 10 EFCDHN CCCOc1ccc(C[N@H+]2CCOCC3(CCOCC3)C2)c([O-])c1 ZINC000183266082 474362436 /nfs/dbraw/zinc/36/24/36/474362436.db2.gz DCCSYJHIPDAXKL-UHFFFAOYSA-N 0 3 335.444 2.810 20 10 EFCDHN CC(C)[C@@H](C(=O)N[C@H](C)Cc1ccc(O)c(O)c1)N1CCCCC1 ZINC000183448481 474381255 /nfs/dbraw/zinc/38/12/55/474381255.db2.gz CPQDZGASXLLJQT-KDOFPFPSSA-N 0 3 334.460 2.656 20 10 EFCDHN C[C@H]([NH2+][C@H]1CN(Cc2ccccc2)CC[C@@H]1CO)c1ccccc1[O-] ZINC000183523560 474388241 /nfs/dbraw/zinc/38/82/41/474388241.db2.gz PWJZESALXKBREP-HQRMLTQVSA-N 0 3 340.467 2.926 20 10 EFCDHN Cc1cn[nH]c1CNCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000289742356 474407151 /nfs/dbraw/zinc/40/71/51/474407151.db2.gz DZVKXVIEZVMMOU-ZIAGYGMSSA-N 0 3 332.423 2.761 20 10 EFCDHN CCCOc1ccc(CN2CCSC[C@H]2CC(=O)OC)c(O)c1 ZINC000271204313 474438673 /nfs/dbraw/zinc/43/86/73/474438673.db2.gz QZXNYMIRUMYYQP-CQSZACIVSA-N 0 3 339.457 2.662 20 10 EFCDHN CN(C)CCC[NH+](CCCN(C)C)Cc1cccc(Cl)c1[O-] ZINC000289854182 474454986 /nfs/dbraw/zinc/45/49/86/474454986.db2.gz QFXXUVKTSMWUQK-UHFFFAOYSA-N 0 3 327.900 2.751 20 10 EFCDHN Cc1cc([O-])c(C[N@H+]2CCC[C@@H]([C@@H](O)c3nccn3C)C2)cc1C ZINC000271268437 474465939 /nfs/dbraw/zinc/46/59/39/474465939.db2.gz JCXBIUJLSBRNNU-CRAIPNDOSA-N 0 3 329.444 2.688 20 10 EFCDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H]([C@@H](O)c3nccn3C)C2)cc1C ZINC000271268437 474465946 /nfs/dbraw/zinc/46/59/46/474465946.db2.gz JCXBIUJLSBRNNU-CRAIPNDOSA-N 0 3 329.444 2.688 20 10 EFCDHN CCN(Cc1ccccc1)c1ccc(CN[C@@]2(CO)CCOC2)cc1 ZINC000184195665 474484944 /nfs/dbraw/zinc/48/49/44/474484944.db2.gz SGALUHFWBNVZPW-OAQYLSRUSA-N 0 3 340.467 2.954 20 10 EFCDHN CCCNC(=O)OC[C@@H]1CCCCN1Cc1cccc(OC)c1O ZINC000289942787 474496256 /nfs/dbraw/zinc/49/62/56/474496256.db2.gz XFKJHEUMTYNIRK-HNNXBMFYSA-N 0 3 336.432 2.892 20 10 EFCDHN Nc1ccc(CC(=O)NC[C@H](c2cccs2)N2CCCC2)cc1 ZINC000237902593 474498562 /nfs/dbraw/zinc/49/85/62/474498562.db2.gz IQCAIJYGIMIOTI-MRXNPFEDSA-N 0 3 329.469 2.826 20 10 EFCDHN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCCN(C)C1CC1 ZINC000266850716 474504122 /nfs/dbraw/zinc/50/41/22/474504122.db2.gz QJGMHDKFOBZITJ-UHFFFAOYSA-N 0 3 332.492 2.767 20 10 EFCDHN CN(C)C[C@H](NCc1cc2c(cc1O)OCO2)c1ccc(F)cc1 ZINC000290062209 474544763 /nfs/dbraw/zinc/54/47/63/474544763.db2.gz HKGBGGVQZHSPQC-HNNXBMFYSA-N 0 3 332.375 2.653 20 10 EFCDHN CO[C@H]1COC[C@@H]1[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-] ZINC000290167993 474561085 /nfs/dbraw/zinc/56/10/85/474561085.db2.gz MMHZNXOXHZNVJM-XDTLVQLUSA-N 0 3 330.222 2.528 20 10 EFCDHN COc1ccc(N2CCN(CCN[C@@H](C)c3cccnc3)CC2)cc1 ZINC000271455599 474555000 /nfs/dbraw/zinc/55/50/00/474555000.db2.gz ZOIFHJNKSAAWEQ-KRWDZBQOSA-N 0 3 340.471 2.563 20 10 EFCDHN CO[C@H]1COC[C@@H]1[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-] ZINC000290167992 474560752 /nfs/dbraw/zinc/56/07/52/474560752.db2.gz MMHZNXOXHZNVJM-ICCXJUOJSA-N 0 3 330.222 2.528 20 10 EFCDHN COc1cc(Cl)cc(C[NH2+]C2CCN(c3cccnn3)CC2)c1[O-] ZINC000277365666 474582540 /nfs/dbraw/zinc/58/25/40/474582540.db2.gz FBNXXWXLRJMVPQ-UHFFFAOYSA-N 0 3 348.834 2.603 20 10 EFCDHN CC[C@H]([NH2+]C[C@H](O)COc1ccc2c(c1)OCO2)c1ccccc1[O-] ZINC000271729417 474587379 /nfs/dbraw/zinc/58/73/79/474587379.db2.gz SBWBHIQJPLQRPW-BBRMVZONSA-N 0 3 345.395 2.602 20 10 EFCDHN COc1ccc([C@@H](CO)N(C)Cc2cc(OC)c(OC)cc2O)cc1 ZINC000271839965 474595390 /nfs/dbraw/zinc/59/53/90/474595390.db2.gz QCGGXSRVZZNSNW-MRXNPFEDSA-N 0 3 347.411 2.583 20 10 EFCDHN COc1ccc([C@H](CO)N(C)Cc2cc(OC)c(OC)cc2O)cc1 ZINC000271839961 474595860 /nfs/dbraw/zinc/59/58/60/474595860.db2.gz QCGGXSRVZZNSNW-INIZCTEOSA-N 0 3 347.411 2.583 20 10 EFCDHN COc1ccc(O)c(CN2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c1 ZINC000271824779 474596116 /nfs/dbraw/zinc/59/61/16/474596116.db2.gz PSDSLEDKAXJUSD-CQSZACIVSA-N 0 3 336.432 2.842 20 10 EFCDHN COc1ccc(OC)c([C@@H](O)C[NH2+][C@@H](C)c2cc(OC)ccc2[O-])c1 ZINC000271852240 474597088 /nfs/dbraw/zinc/59/70/88/474597088.db2.gz RLKHBOHGJDJOEB-SGTLLEGYSA-N 0 3 347.411 2.802 20 10 EFCDHN COc1c([O-])c(CN2CCC[C@@H]([NH+]3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000278159835 474602093 /nfs/dbraw/zinc/60/20/93/474602093.db2.gz DMCYRZHKIKOYIQ-OAHLLOKOSA-N 0 3 349.431 2.759 20 10 EFCDHN CN1CCCc2cc(CN[C@H]3CCC[C@@H](S(C)(=O)=O)C3)ccc21 ZINC000284309488 474616215 /nfs/dbraw/zinc/61/62/15/474616215.db2.gz ZFUFGVZGKVGWNR-DLBZAZTESA-N 0 3 336.501 2.514 20 10 EFCDHN Cc1cc(Br)cc(C[N@H+](C)CCc2cnccn2)c1[O-] ZINC000272759126 474625578 /nfs/dbraw/zinc/62/55/78/474625578.db2.gz LBBQFYDNRKBBEA-UHFFFAOYSA-N 0 3 336.233 2.928 20 10 EFCDHN Cc1cc(Br)cc(C[N@@H+](C)CCc2cnccn2)c1[O-] ZINC000272759126 474625581 /nfs/dbraw/zinc/62/55/81/474625581.db2.gz LBBQFYDNRKBBEA-UHFFFAOYSA-N 0 3 336.233 2.928 20 10 EFCDHN C[C@@H](CN1CCN(c2ccccn2)CC1)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000272803990 474625656 /nfs/dbraw/zinc/62/56/56/474625656.db2.gz BXAXVFZMFJXLTK-IRXDYDNUSA-N 0 3 340.471 2.649 20 10 EFCDHN CCN1CCO[C@@H](C[NH2+]Cc2ccccc2[O-])[C@@H]1c1ccccc1 ZINC000284379769 474630446 /nfs/dbraw/zinc/63/04/46/474630446.db2.gz AKGNNJGSKBRMJC-PMACEKPBSA-N 0 3 326.440 2.944 20 10 EFCDHN COc1cc(O)c(CN2CCC[C@H]([C@@H](O)C(F)(F)F)C2)cc1OC ZINC000278438566 474644039 /nfs/dbraw/zinc/64/40/39/474644039.db2.gz VILXSHYYANXJLP-ZUZCIYMTSA-N 0 3 349.349 2.545 20 10 EFCDHN O=[N+]([O-])c1cc(Cl)cc(C[NH2+]CC2CCN(C3CC3)CC2)c1[O-] ZINC000278486025 474657823 /nfs/dbraw/zinc/65/78/23/474657823.db2.gz KKGKXXWMMMNKPX-UHFFFAOYSA-N 0 3 339.823 2.918 20 10 EFCDHN C[C@@H]([NH2+]Cc1cc2c(cc1[O-])OCO2)[C@H]1OCCc2sccc21 ZINC000291826524 474705528 /nfs/dbraw/zinc/70/55/28/474705528.db2.gz ZUNUKMQMVRTLMD-BMLIUANNSA-N 0 3 333.409 2.975 20 10 EFCDHN CC(C)n1nccc1[C@H]1OCC[C@@H]1[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000284721750 474739361 /nfs/dbraw/zinc/73/93/61/474739361.db2.gz LOYZSYMKGQPNOY-UGSOOPFHSA-N 0 3 345.399 2.518 20 10 EFCDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@H](O)COCC(F)(F)F ZINC000292986220 474750132 /nfs/dbraw/zinc/75/01/32/474750132.db2.gz ROKSKRUGNNTULN-AWEZNQCLSA-N 0 3 335.366 2.934 20 10 EFCDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@H](O)COCC(F)(F)F ZINC000292986220 474750138 /nfs/dbraw/zinc/75/01/38/474750138.db2.gz ROKSKRUGNNTULN-AWEZNQCLSA-N 0 3 335.366 2.934 20 10 EFCDHN CCCOc1ccc(C[NH2+][C@H]2CCO[C@@H]2c2ccnn2C)c([O-])c1 ZINC000284808119 474780955 /nfs/dbraw/zinc/78/09/55/474780955.db2.gz SXYMKBOSLXGUOX-YJBOKZPZSA-N 0 3 331.416 2.534 20 10 EFCDHN C[C@H]1C[C@H](NC(=O)NCc2ccccc2O)CN1Cc1ccccc1 ZINC000268119849 474808920 /nfs/dbraw/zinc/80/89/20/474808920.db2.gz MCAGSICWWIKHRW-YJBOKZPZSA-N 0 3 339.439 2.854 20 10 EFCDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000268136298 474818548 /nfs/dbraw/zinc/81/85/48/474818548.db2.gz JNNORTFPJGXLJW-KXBFYZLASA-N 0 3 344.503 2.767 20 10 EFCDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000268143341 474823169 /nfs/dbraw/zinc/82/31/69/474823169.db2.gz KXZLKAFZKCVQDX-ACJLOTCBSA-N 0 3 343.471 2.553 20 10 EFCDHN [O-]c1cc2c(cc1C[NH2+]C[C@@H](O)c1cc(F)cc(Cl)c1)OCO2 ZINC000278820400 474853719 /nfs/dbraw/zinc/85/37/19/474853719.db2.gz TXKSOCHPMVVENA-CQSZACIVSA-N 0 3 339.750 2.737 20 10 EFCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H](C(C)C)N2CCN(C)CC2)c([O-])c1C ZINC000273389262 474875605 /nfs/dbraw/zinc/87/56/05/474875605.db2.gz KIZBDRQAWKFXGP-MJGOQNOKSA-N 0 3 333.520 2.932 20 10 EFCDHN Cc1ccc([C@@H](C)[NH2+]C[C@H](C(C)C)N2CCN(C)CC2)c([O-])c1C ZINC000273389259 474875731 /nfs/dbraw/zinc/87/57/31/474875731.db2.gz KIZBDRQAWKFXGP-IEBWSBKVSA-N 0 3 333.520 2.932 20 10 EFCDHN COc1cc(C[NH2+][C@H](C)c2cc(F)ccc2[O-])ccc1OCCO ZINC000273408993 474882689 /nfs/dbraw/zinc/88/26/89/474882689.db2.gz PDILBVPTKMKFSU-GFCCVEGCSA-N 0 3 335.375 2.762 20 10 EFCDHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C2CCN(CC3CC3)CC2)c1 ZINC000273422102 474890755 /nfs/dbraw/zinc/89/07/55/474890755.db2.gz SKSYBGFZGQDYAE-ZDUSSCGKSA-N 0 3 332.444 2.704 20 10 EFCDHN C[C@@H]([NH2+][C@H]1CCN(Cc2ccccc2)C1=O)c1cc(F)ccc1[O-] ZINC000273457938 474909875 /nfs/dbraw/zinc/90/98/75/474909875.db2.gz HJXIRJMCGCJCHF-DYVFJYSZSA-N 0 3 328.387 2.983 20 10 EFCDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@H]2CCCN(Cc3ccccn3)C2=O)c1 ZINC000273480502 474922564 /nfs/dbraw/zinc/92/25/64/474922564.db2.gz UKNCUMJANNIFRR-QAPCUYQASA-N 0 3 339.439 2.937 20 10 EFCDHN Cc1ccc(O)c([C@@H](C)N[C@H]2CCCN(Cc3ccccn3)C2=O)c1 ZINC000273480502 474922569 /nfs/dbraw/zinc/92/25/69/474922569.db2.gz UKNCUMJANNIFRR-QAPCUYQASA-N 0 3 339.439 2.937 20 10 EFCDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(Cc3ccccn3)C2=O)c([O-])c1 ZINC000273506004 474933941 /nfs/dbraw/zinc/93/39/41/474933941.db2.gz ZMJIGWMRLLERJG-CRAIPNDOSA-N 0 3 339.439 2.937 20 10 EFCDHN C[C@H]1C[C@@H](N2CCOCC2)C[N@@H+]1Cc1c([O-])ccc2ccccc21 ZINC000285266937 474951250 /nfs/dbraw/zinc/95/12/50/474951250.db2.gz YILPVDFBBRBPBO-DOTOQJQBSA-N 0 3 326.440 2.840 20 10 EFCDHN C[C@H]1C[C@@H](N2CCOCC2)C[N@H+]1Cc1c([O-])ccc2ccccc21 ZINC000285266937 474951256 /nfs/dbraw/zinc/95/12/56/474951256.db2.gz YILPVDFBBRBPBO-DOTOQJQBSA-N 0 3 326.440 2.840 20 10 EFCDHN C[C@@H]1OCC[C@@]1(O)C[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000279161982 474962791 /nfs/dbraw/zinc/96/27/91/474962791.db2.gz AWGIWYQONJGJMD-MGPUTAFESA-N 0 3 343.423 2.601 20 10 EFCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@H](O)c2cc(OC)cc(OC)c2)c1 ZINC000273591161 474978414 /nfs/dbraw/zinc/97/84/14/474978414.db2.gz PGVWCDGGVQXBJW-BLVKFPJESA-N 0 3 347.411 2.802 20 10 EFCDHN COC[C@@H]([NH2+]Cc1cc(Br)cc(C)c1[O-])[C@H]1CCCO1 ZINC000279499611 474978862 /nfs/dbraw/zinc/97/88/62/474978862.db2.gz VWKSPRDWRDAPJP-ZIAGYGMSSA-N 0 3 344.249 2.747 20 10 EFCDHN COC[C@H]([NH2+]Cc1cc(Br)cc(C)c1[O-])[C@@H]1CCCO1 ZINC000279499584 474979086 /nfs/dbraw/zinc/97/90/86/474979086.db2.gz VWKSPRDWRDAPJP-KBPBESRZSA-N 0 3 344.249 2.747 20 10 EFCDHN CC[C@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1=O)c1ccc(C)cc1[O-] ZINC000280226858 475014139 /nfs/dbraw/zinc/01/41/39/475014139.db2.gz VAHNQTTZKLFQTR-STQMWFEESA-N 0 3 330.350 2.905 20 10 EFCDHN CCCNC(=O)CN1CCC([NH2+][C@H](CC)c2ccc(C)cc2[O-])CC1 ZINC000280298047 475019045 /nfs/dbraw/zinc/01/90/45/475019045.db2.gz ZSKXHMOWKZOZRW-GOSISDBHSA-N 0 3 347.503 2.732 20 10 EFCDHN CN(C)c1ccc(CN2CCC[C@@H](CC(N)=O)C2)c(C(F)(F)F)c1 ZINC000280300108 475020570 /nfs/dbraw/zinc/02/05/70/475020570.db2.gz PMBVGESVPKMAKI-LBPRGKRZSA-N 0 3 343.393 2.859 20 10 EFCDHN C[C@@H](NC[C@H](N1CCOCC1)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000285718266 475038469 /nfs/dbraw/zinc/03/84/69/475038469.db2.gz PXTPBRZVOANWHU-CJNGLKHVSA-N 0 3 345.409 2.666 20 10 EFCDHN C[C@@H](NCc1ccc(N2CCOCC2)nc1)c1ccc(N(C)C)cc1 ZINC000268730409 475040186 /nfs/dbraw/zinc/04/01/86/475040186.db2.gz BXCLOIPCWYYDAF-MRXNPFEDSA-N 0 3 340.471 2.835 20 10 EFCDHN C[C@@H](N[C@@H](C)Cn1ccnc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000268816803 475043372 /nfs/dbraw/zinc/04/33/72/475043372.db2.gz MOYSJXYFUVOSQZ-LSDHHAIUSA-N 0 3 332.423 2.598 20 10 EFCDHN CCCN(CCN1CCCC1)C(=O)NCc1ccc(N(C)C)cc1 ZINC000285808076 475043314 /nfs/dbraw/zinc/04/33/14/475043314.db2.gz UURGFFRDULLRHL-UHFFFAOYSA-N 0 3 332.492 2.770 20 10 EFCDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2CC[C@@H](CO)O2)c1[O-] ZINC000293671651 475047219 /nfs/dbraw/zinc/04/72/19/475047219.db2.gz JMVSFHCJOHLZDH-UHTWSYAYSA-N 0 3 344.249 2.654 20 10 EFCDHN CCCNC(=O)CN1CCC([NH2+][C@H](C)c2c(C)cc(C)cc2[O-])CC1 ZINC000293698131 475049306 /nfs/dbraw/zinc/04/93/06/475049306.db2.gz LFJVDGZDHOBYSJ-MRXNPFEDSA-N 0 3 347.503 2.650 20 10 EFCDHN [O-]c1cc2c(cc1C[NH+]1CCC(CO)(c3ccccc3)CC1)OCO2 ZINC000293828645 475053653 /nfs/dbraw/zinc/05/36/53/475053653.db2.gz GISAYQZWFDPFOE-UHFFFAOYSA-N 0 3 341.407 2.647 20 10 EFCDHN COc1cccc(C[NH+]2CCC(CO)(c3ccccc3)CC2)c1[O-] ZINC000293916593 475057408 /nfs/dbraw/zinc/05/74/08/475057408.db2.gz MGRYAYRCYWPCND-UHFFFAOYSA-N 0 3 327.424 2.927 20 10 EFCDHN COc1cc([O-])c(C[NH2+]C[C@@H](Cc2ccccc2)OC)cc1OC ZINC000294860015 475088328 /nfs/dbraw/zinc/08/83/28/475088328.db2.gz TUGVDJCLNCVMTP-MRXNPFEDSA-N 0 3 331.412 2.757 20 10 EFCDHN COC1CCN(c2ccc(CN[C@H](C)c3cnn(C)c3)cc2)CC1 ZINC000294893538 475089729 /nfs/dbraw/zinc/08/97/29/475089729.db2.gz DFHSAUGOMDMXDH-OAHLLOKOSA-N 0 3 328.460 2.886 20 10 EFCDHN COC1CCN(c2ccc(CN3CC[C@@H](n4cccn4)C3)cc2)CC1 ZINC000294938569 475093759 /nfs/dbraw/zinc/09/37/59/475093759.db2.gz AFHFJURNKXXXSH-LJQANCHMSA-N 0 3 340.471 2.945 20 10 EFCDHN COC1CCN(c2ccc(CN(C)C3(C(N)=O)CCCC3)cc2)CC1 ZINC000295030811 475098785 /nfs/dbraw/zinc/09/87/85/475098785.db2.gz VPHMCJZOXNUGFT-UHFFFAOYSA-N 0 3 345.487 2.532 20 10 EFCDHN CN(Cc1cc2c(cc1O)OCO2)[C@H](CO)c1ccc(Cl)cc1 ZINC000295048249 475099790 /nfs/dbraw/zinc/09/97/90/475099790.db2.gz NDRDPUVKEVPVRJ-CQSZACIVSA-N 0 3 335.787 2.940 20 10 EFCDHN COc1ccc([O-])c([C@H](C)[NH2+]C2CCC(CS(C)(=O)=O)CC2)c1 ZINC000295127878 475106433 /nfs/dbraw/zinc/10/64/33/475106433.db2.gz ODVNSUODFNBWSM-HSBZDZAISA-N 0 3 341.473 2.655 20 10 EFCDHN CCOc1ccc([O-])c(C[NH2+]CCc2cnc3c(Cl)cnn3c2)c1 ZINC000295159447 475107491 /nfs/dbraw/zinc/10/74/91/475107491.db2.gz RZDJPAJSRSFIBU-UHFFFAOYSA-N 0 3 346.818 2.819 20 10 EFCDHN COc1cc([O-])c(C[NH2+][C@H]2CCN(c3ccccc3F)C2)cc1OC ZINC000292770246 475190000 /nfs/dbraw/zinc/19/00/00/475190000.db2.gz KJXHKSCFXZVAOL-AWEZNQCLSA-N 0 3 346.402 2.917 20 10 EFCDHN Cc1cnccc1CNCc1ccc(N2CCC(CO)CC2)cc1 ZINC000296474107 475330675 /nfs/dbraw/zinc/33/06/75/475330675.db2.gz PSAGJDNAGRHDEG-UHFFFAOYSA-N 0 3 325.456 2.889 20 10 EFCDHN O=C(N1CCCC1)N1CCC[C@@H]([NH2+][C@H]2CCc3cccc([O-])c32)C1 ZINC000297436600 475757321 /nfs/dbraw/zinc/75/73/21/475757321.db2.gz VSNIUHWJNBPADY-CVEARBPZSA-N 0 3 329.444 2.649 20 10 EFCDHN Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1CCCN(C)[C@H]1C ZINC000349895450 476015918 /nfs/dbraw/zinc/01/59/18/476015918.db2.gz PMGUBHHCAZNHAR-GOEBONIOSA-N 0 3 328.460 2.769 20 10 EFCDHN Cc1c2ccccc2n(C)c1CNC(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000350034494 476033848 /nfs/dbraw/zinc/03/38/48/476033848.db2.gz QGGMBWOIYVRSNF-MRXNPFEDSA-N 0 3 340.471 2.865 20 10 EFCDHN Cc1c2ccccc2n(C)c1CNC(=O)N1CCC[C@H](N(C)C)C1 ZINC000350080047 476043319 /nfs/dbraw/zinc/04/33/19/476043319.db2.gz OLELSMFXKWOQMQ-HNNXBMFYSA-N 0 3 328.460 2.722 20 10 EFCDHN O=C(NCc1ccccc1O)NCC1(N2CCSCC2)CCCC1 ZINC000299535544 476142285 /nfs/dbraw/zinc/14/22/85/476142285.db2.gz UEFYGSMCIOQVEY-UHFFFAOYSA-N 0 3 349.500 2.553 20 10 EFCDHN Cc1ccc([C@H](C)N[C@H]2CCCN(c3ccn(C)n3)C2=O)c(O)c1C ZINC000359878974 476269902 /nfs/dbraw/zinc/26/99/02/476269902.db2.gz YPKDOACRGXVHRC-HOCLYGCPSA-N 0 3 342.443 2.589 20 10 EFCDHN CCOc1ccc([O-])c(C[N@@H+]2CC[C@@]3(C2)C(=O)Nc2ccccc23)c1 ZINC000368785008 476370916 /nfs/dbraw/zinc/37/09/16/476370916.db2.gz SRRSFRUUYXUGRE-FQEVSTJZSA-N 0 3 338.407 2.887 20 10 EFCDHN CCOc1ccc([O-])c(C[N@H+]2CC[C@@]3(C2)C(=O)Nc2ccccc23)c1 ZINC000368785008 476370921 /nfs/dbraw/zinc/37/09/21/476370921.db2.gz SRRSFRUUYXUGRE-FQEVSTJZSA-N 0 3 338.407 2.887 20 10 EFCDHN Cn1cc(CNC2CCN(c3ccc(OC(F)F)cc3)CC2)cn1 ZINC000368901804 476377709 /nfs/dbraw/zinc/37/77/09/476377709.db2.gz PIEDYJWNWWIKRZ-UHFFFAOYSA-N 0 3 336.386 2.780 20 10 EFCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCN(c3ccccc3C(N)=O)C2)c1 ZINC000373257058 476389231 /nfs/dbraw/zinc/38/92/31/476389231.db2.gz RZYAMDIEUXBICS-LSDHHAIUSA-N 0 3 339.439 2.729 20 10 EFCDHN CCOc1cccc(C[N@@H+]2CC[C@]3(C2)C(=O)Nc2ccccc23)c1[O-] ZINC000373535035 476412867 /nfs/dbraw/zinc/41/28/67/476412867.db2.gz PZKXOAJRNCHEGR-HXUWFJFHSA-N 0 3 338.407 2.887 20 10 EFCDHN CCOc1cccc(C[N@H+]2CC[C@]3(C2)C(=O)Nc2ccccc23)c1[O-] ZINC000373535035 476412872 /nfs/dbraw/zinc/41/28/72/476412872.db2.gz PZKXOAJRNCHEGR-HXUWFJFHSA-N 0 3 338.407 2.887 20 10 EFCDHN Cc1cc([O-])c(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)cc1C ZINC000374257939 476463320 /nfs/dbraw/zinc/46/33/20/476463320.db2.gz SOSXMBSKXXGZSV-IEBWSBKVSA-N 0 3 329.444 2.831 20 10 EFCDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)cc1C ZINC000374257939 476463329 /nfs/dbraw/zinc/46/33/29/476463329.db2.gz SOSXMBSKXXGZSV-IEBWSBKVSA-N 0 3 329.444 2.831 20 10 EFCDHN Cc1cc([O-])c(C[N@H+]2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)cc1C ZINC000374257940 476465427 /nfs/dbraw/zinc/46/54/27/476465427.db2.gz SOSXMBSKXXGZSV-MJGOQNOKSA-N 0 3 329.444 2.831 20 10 EFCDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)cc1C ZINC000374257940 476465434 /nfs/dbraw/zinc/46/54/34/476465434.db2.gz SOSXMBSKXXGZSV-MJGOQNOKSA-N 0 3 329.444 2.831 20 10 EFCDHN CN(Cc1cccc(Cl)c1[O-])[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000377626841 476483794 /nfs/dbraw/zinc/48/37/94/476483794.db2.gz NBKVJFCRMXMMHB-INIZCTEOSA-N 0 3 337.895 2.646 20 10 EFCDHN CN(Cc1cccc(Cl)c1[O-])[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000377626841 476483801 /nfs/dbraw/zinc/48/38/01/476483801.db2.gz NBKVJFCRMXMMHB-INIZCTEOSA-N 0 3 337.895 2.646 20 10 EFCDHN CN1CCC([NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)CC1 ZINC000370110787 476670855 /nfs/dbraw/zinc/67/08/55/476670855.db2.gz JFLNXLYWBHNCHG-QGZVFWFLSA-N 0 3 337.895 2.694 20 10 EFCDHN CNCc1cccc(NC(=O)N2CCOc3cc(N(C)C)ccc32)c1 ZINC000415928748 476971806 /nfs/dbraw/zinc/97/18/06/476971806.db2.gz HXTRHSNHYSHEPS-UHFFFAOYSA-N 0 3 340.427 2.903 20 10 EFCDHN Cc1cnn(C)c1C[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000375767851 476996436 /nfs/dbraw/zinc/99/64/36/476996436.db2.gz JXKZAHYXBVQQNW-INIZCTEOSA-N 0 3 348.878 2.842 20 10 EFCDHN CCOc1cccc(C[NH+]2CCC(CCN3CCOCC3)CC2)c1[O-] ZINC000371415280 477305362 /nfs/dbraw/zinc/30/53/62/477305362.db2.gz BJPIEMJMXAQNOX-UHFFFAOYSA-N 0 3 348.487 2.725 20 10 EFCDHN Cc1cc(CN)cc(NC(=O)N2CCOc3cc(N(C)C)ccc32)c1 ZINC000424426931 477402552 /nfs/dbraw/zinc/40/25/52/477402552.db2.gz NJPZVOBZPXKPAI-UHFFFAOYSA-N 0 3 340.427 2.951 20 10 EFCDHN CCN1CCCN(C(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000372026089 477605060 /nfs/dbraw/zinc/60/50/60/477605060.db2.gz BAUAQPZBCZLGAC-UHFFFAOYSA-N 0 3 330.476 2.524 20 10 EFCDHN Cc1c2ccccc2n(C)c1CNC(=O)NC[C@H](C)N(C)C1CC1 ZINC000471823438 478011650 /nfs/dbraw/zinc/01/16/50/478011650.db2.gz DUWQIOJVLOYSRS-ZDUSSCGKSA-N 0 3 328.460 2.769 20 10 EFCDHN Cc1c2ccccc2n(C)c1CNC(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000471972036 478012785 /nfs/dbraw/zinc/01/27/85/478012785.db2.gz DNYNESHATNYWJF-HIFRSBDPSA-N 0 3 328.460 2.769 20 10 EFCDHN COCCn1c(C)c(C)c2cc(C(=O)N3CCN[C@@H](C)[C@@H]3C)ccc21 ZINC000566627260 479094719 /nfs/dbraw/zinc/09/47/19/479094719.db2.gz MOXAJIMOYAXIJS-HOCLYGCPSA-N 0 3 343.471 2.727 20 10 EFCDHN O=C(c1cccc2c1CCNC2)N1C[C@@H]2CCCN2c2ccccc21 ZINC000662688987 481935294 /nfs/dbraw/zinc/93/52/94/481935294.db2.gz RRALWWQKOUNXNY-INIZCTEOSA-N 0 3 333.435 2.962 20 10 EFCDHN O=C(c1cccc2c1CCNC2)N1C[C@H]2CCCN2c2ccccc21 ZINC000662688989 481935379 /nfs/dbraw/zinc/93/53/79/481935379.db2.gz RRALWWQKOUNXNY-MRXNPFEDSA-N 0 3 333.435 2.962 20 10 EFCDHN COC(=O)c1cc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)c[nH]1 ZINC000160196118 533783745 /nfs/dbraw/zinc/78/37/45/533783745.db2.gz QHRBAHIDEZIBAC-INIZCTEOSA-N 0 3 344.411 2.688 20 10 EFCDHN COc1cc(OC)cc([C@@H](O)C[NH2+][C@@H]2CCc3cccc([O-])c32)c1 ZINC000297877902 522876741 /nfs/dbraw/zinc/87/67/41/522876741.db2.gz UXMFDMFTYIDQNY-AEFFLSMTSA-N 0 3 329.396 2.720 20 10 EFCDHN COc1cc(OC)cc([C@H](O)C[NH2+][C@@H]2CCc3cccc([O-])c32)c1 ZINC000297877909 522884765 /nfs/dbraw/zinc/88/47/65/522884765.db2.gz UXMFDMFTYIDQNY-SJLPKXTDSA-N 0 3 329.396 2.720 20 10 EFCDHN CCOC(=O)COc1ccc(CC[NH2+]Cc2ccccc2[O-])cc1 ZINC000174642847 528841626 /nfs/dbraw/zinc/84/16/26/528841626.db2.gz SJKJCDJQGWMRAO-UHFFFAOYSA-N 0 3 329.396 2.666 20 10 EFCDHN CCOc1cccc(C[NH2+]C[C@H](CO)Cc2ccc(F)cc2)c1[O-] ZINC000263707598 535460552 /nfs/dbraw/zinc/46/05/52/535460552.db2.gz SPGUTADZVNXSRN-OAHLLOKOSA-N 0 3 333.403 2.871 20 10 EFCDHN CCn1nccc1N1CCC[C@H](NCc2cc(C)c(C)cc2O)C1=O ZINC000191643205 535873220 /nfs/dbraw/zinc/87/32/20/535873220.db2.gz UBGURZWXBZNGEN-INIZCTEOSA-N 0 3 342.443 2.511 20 10 EFCDHN COC[C@@H](CCO)NCc1ccc(N(C)Cc2cccs2)cc1 ZINC000295770265 536610073 /nfs/dbraw/zinc/61/00/73/536610073.db2.gz QVISUKWDHCQQTN-MRXNPFEDSA-N 0 3 334.485 2.872 20 10 EFCDHN COc1ccc(N2CCN(CCNCc3ccc(C)o3)CC2)cc1 ZINC000299328218 536699126 /nfs/dbraw/zinc/69/91/26/536699126.db2.gz KOMINACWHDYAAZ-UHFFFAOYSA-N 0 3 329.444 2.508 20 10 EFCDHN COc1cc(CN2CCC(CC(N)=O)CC2)c(O)c(C(C)(C)C)c1 ZINC000754728004 575478879 /nfs/dbraw/zinc/47/88/79/575478879.db2.gz UMAHFGBMVBWMBF-UHFFFAOYSA-N 0 3 334.460 2.786 20 10 EFCDHN CN(C)c1ccc(CNC(=O)CNC(C)(C)c2cccs2)cc1 ZINC000754829646 575498222 /nfs/dbraw/zinc/49/82/22/575498222.db2.gz IFDWVBJXGLDMHI-UHFFFAOYSA-N 0 3 331.485 2.955 20 10 EFCDHN Cc1ccc([C@H](C)[NH2+]Cc2cccc(NS(C)(=O)=O)c2)c([O-])c1 ZINC000756383557 575727416 /nfs/dbraw/zinc/72/74/16/575727416.db2.gz JZTWNMMXUZFOOP-ZDUSSCGKSA-N 0 3 334.441 2.923 20 10 EFCDHN C[C@@H]([NH2+]CCS(=O)(=O)Cc1ccccc1)c1cc(F)ccc1[O-] ZINC000756454711 575742270 /nfs/dbraw/zinc/74/22/70/575742270.db2.gz FCIYPOYILFTTOR-CYBMUJFWSA-N 0 3 337.416 2.797 20 10 EFCDHN C[C@H]1C[C@@H]([NH2+]CC(=O)NCc2ccccc2)c2c1c(F)ccc2[O-] ZINC000756477448 575745671 /nfs/dbraw/zinc/74/56/71/575745671.db2.gz ZHTNFEJBLMEQLT-SWLSCSKDSA-N 0 3 328.387 2.986 20 10 EFCDHN C[C@H](C[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F)CN1CCN(C)CC1 ZINC000756534144 575756679 /nfs/dbraw/zinc/75/66/79/575756679.db2.gz KUGHIKLINLCSOJ-IIAWOOMASA-N 0 3 335.467 2.553 20 10 EFCDHN Cc1ccc([C@@H](C)[NH2+]C2CCN(CCC(=O)N(C)C)CC2)c([O-])c1C ZINC000756563302 575763234 /nfs/dbraw/zinc/76/32/34/575763234.db2.gz OCJOYYPENBJNNS-MRXNPFEDSA-N 0 3 347.503 2.602 20 10 EFCDHN C[C@@H]1C[C@@H]([NH2+]CCS(=O)(=O)C(C)(C)C)c2c1c(F)ccc2[O-] ZINC000756709438 575779696 /nfs/dbraw/zinc/77/96/96/575779696.db2.gz ZKRXUMJPTARLLJ-ZYHUDNBSSA-N 0 3 329.437 2.883 20 10 EFCDHN C[C@@H]([NH2+][C@@H]1CCCN(Cc2ccccn2)C1=O)c1cc(F)ccc1[O-] ZINC000757659705 575848122 /nfs/dbraw/zinc/84/81/22/575848122.db2.gz ZLFIWYVDCVPENS-CXAGYDPISA-N 0 3 343.402 2.768 20 10 EFCDHN NC(=O)[C@H](C[NH2+]Cc1cc(F)ccc1[O-])Cc1ccccc1Cl ZINC000757908036 575855577 /nfs/dbraw/zinc/85/55/77/575855577.db2.gz XNEONAKWFUWSMD-ZDUSSCGKSA-N 0 3 336.794 2.619 20 10 EFCDHN CS(=O)(=O)c1ccc(CNCc2ccccc2O)cc1Cl ZINC000758523424 575871524 /nfs/dbraw/zinc/87/15/24/575871524.db2.gz UVMSSQWULSIWSI-UHFFFAOYSA-N 0 3 325.817 2.739 20 10 EFCDHN COC(=O)C1=C(C)O[C@@H](CN(Cc2ccc(N(C)C)cc2)C2CC2)C1 ZINC000759846004 575944957 /nfs/dbraw/zinc/94/49/57/575944957.db2.gz SAVRBJMRZGGIQG-GOSISDBHSA-N 0 3 344.455 2.953 20 10 EFCDHN CC(C)N(CC[C@@H]1CCS(=O)(=O)C1)Cc1ccc(N(C)C)cc1 ZINC000760817939 576077150 /nfs/dbraw/zinc/07/71/50/576077150.db2.gz MVCLWODRFZAWSI-QGZVFWFLSA-N 0 3 338.517 2.788 20 10 EFCDHN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CC2(CN(C)C)CCCC2)c1 ZINC000760898830 576086168 /nfs/dbraw/zinc/08/61/68/576086168.db2.gz STSSMXAFNKYLAP-CQSZACIVSA-N 0 3 334.460 2.951 20 10 EFCDHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CC2(CN(C)C)CCCC2)c1 ZINC000760898828 576086225 /nfs/dbraw/zinc/08/62/25/576086225.db2.gz STSSMXAFNKYLAP-AWEZNQCLSA-N 0 3 334.460 2.951 20 10 EFCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCOC3(CCOCC3)C2)c1[O-] ZINC000761216891 576131135 /nfs/dbraw/zinc/13/11/35/576131135.db2.gz ZJEFWRZBCWLMNV-CQSZACIVSA-N 0 3 341.835 2.872 20 10 EFCDHN C[C@H]1C[N@H+](CCCNCc2c([O-])ccc(Cl)c2F)CCCO1 ZINC000762482811 576306999 /nfs/dbraw/zinc/30/69/99/576306999.db2.gz MLGDHFQOHYDUGL-LBPRGKRZSA-N 0 3 330.831 2.775 20 10 EFCDHN C[C@H]1CN(CCC[NH2+]Cc2c([O-])ccc(Cl)c2F)CCCO1 ZINC000762482811 576306996 /nfs/dbraw/zinc/30/69/96/576306996.db2.gz MLGDHFQOHYDUGL-LBPRGKRZSA-N 0 3 330.831 2.775 20 10 EFCDHN C[C@H]1C[N@@H+](CCCNCc2c([O-])ccc(Cl)c2F)CCCO1 ZINC000762482811 576307003 /nfs/dbraw/zinc/30/70/03/576307003.db2.gz MLGDHFQOHYDUGL-LBPRGKRZSA-N 0 3 330.831 2.775 20 10 EFCDHN C[C@H](NCCc1ccnn1C)c1ccc(N2CCOCC2)cc1Cl ZINC000762778781 576330734 /nfs/dbraw/zinc/33/07/34/576330734.db2.gz OLSGKPCEXCIJMG-AWEZNQCLSA-N 0 3 348.878 2.803 20 10 EFCDHN C[NH+](C)C1CCN(c2ccc(NC(=O)c3cc([O-])cs3)nc2)CC1 ZINC000764337217 576449262 /nfs/dbraw/zinc/44/92/62/576449262.db2.gz AUKJOGMSLGUDKM-UHFFFAOYSA-N 0 3 346.456 2.631 20 10 EFCDHN COc1ccc(O)c([C@@H](C)NC(=O)NC[C@H]2CCCCN2C2CC2)c1 ZINC000764850054 576511864 /nfs/dbraw/zinc/51/18/64/576511864.db2.gz JZVDLKXYHVRQIX-UKRRQHHQSA-N 0 3 347.459 2.778 20 10 EFCDHN COc1ccc(N2CCN(CCN[C@H](C)c3ccoc3)CC2)cc1 ZINC000765403071 577038526 /nfs/dbraw/zinc/03/85/26/577038526.db2.gz QNAVJRQVDBYRRO-MRXNPFEDSA-N 0 3 329.444 2.761 20 10 EFCDHN C[C@@H](NCCCS(C)(=O)=O)c1ccc(N2CCCCC2)c(F)c1 ZINC000765752099 577072875 /nfs/dbraw/zinc/07/28/75/577072875.db2.gz BBFXLNWQCYRXNE-CQSZACIVSA-N 0 3 342.480 2.901 20 10 EFCDHN COc1cc(Br)cc(C[N@H+](CCO)C2CCCC2)c1[O-] ZINC000768137685 577257055 /nfs/dbraw/zinc/25/70/55/577257055.db2.gz MOULBBXSTRGVPZ-UHFFFAOYSA-N 0 3 344.249 2.900 20 10 EFCDHN COc1cc(Br)cc(C[N@@H+](CCO)C2CCCC2)c1[O-] ZINC000768137685 577257056 /nfs/dbraw/zinc/25/70/56/577257056.db2.gz MOULBBXSTRGVPZ-UHFFFAOYSA-N 0 3 344.249 2.900 20 10 EFCDHN CCCCCNC(=O)C1CC[NH+](Cc2c([O-])cccc2OC)CC1 ZINC000768311713 577265653 /nfs/dbraw/zinc/26/56/53/577265653.db2.gz JHZZFPSXZHUJBA-UHFFFAOYSA-N 0 3 334.460 2.919 20 10 EFCDHN COc1cccc(CN(C)Cc2ccc(C(=O)NC3CC3)cc2)c1O ZINC000768421984 577272801 /nfs/dbraw/zinc/27/28/01/577272801.db2.gz CNOBARRPUCBKFK-UHFFFAOYSA-N 0 3 340.423 2.925 20 10 EFCDHN CN(C)c1ccc(C[N@H+](C)Cc2cc3c(cc2[O-])OC[C@H]3O)cc1 ZINC000768440782 577273787 /nfs/dbraw/zinc/27/37/87/577273787.db2.gz DRNNMJQXZKKSCH-GOSISDBHSA-N 0 3 328.412 2.516 20 10 EFCDHN CN(C)c1ccc(C[N@@H+](C)Cc2cc3c(cc2[O-])OC[C@H]3O)cc1 ZINC000768440782 577273788 /nfs/dbraw/zinc/27/37/88/577273788.db2.gz DRNNMJQXZKKSCH-GOSISDBHSA-N 0 3 328.412 2.516 20 10 EFCDHN COc1ccc(CN(C)Cc2cc3c(cc2O)OC[C@@H]3O)cc1F ZINC000768443192 577273971 /nfs/dbraw/zinc/27/39/71/577273971.db2.gz ZXCKDZSOYCPHSY-INIZCTEOSA-N 0 3 333.359 2.598 20 10 EFCDHN COc1ccc([C@H]2CC[N@H+](Cc3cc4c(cc3[O-])OC[C@H]4O)C2)cc1 ZINC000768444720 577274044 /nfs/dbraw/zinc/27/40/44/577274044.db2.gz NVCZIHITRSMBDF-IFXJQAMLSA-N 0 3 341.407 2.816 20 10 EFCDHN COc1ccc([C@H]2CC[N@@H+](Cc3cc4c(cc3[O-])OC[C@H]4O)C2)cc1 ZINC000768444720 577274047 /nfs/dbraw/zinc/27/40/47/577274047.db2.gz NVCZIHITRSMBDF-IFXJQAMLSA-N 0 3 341.407 2.816 20 10 EFCDHN Cc1cccc(OCC[N@@H+](C)Cc2cc3c(cc2[O-])OC[C@@H]3O)c1 ZINC000768446484 577274315 /nfs/dbraw/zinc/27/43/15/577274315.db2.gz YEBNSRCFLNWLDS-SFHVURJKSA-N 0 3 329.396 2.637 20 10 EFCDHN Cc1cccc(OCC[N@H+](C)Cc2cc3c(cc2[O-])OC[C@@H]3O)c1 ZINC000768446484 577274317 /nfs/dbraw/zinc/27/43/17/577274317.db2.gz YEBNSRCFLNWLDS-SFHVURJKSA-N 0 3 329.396 2.637 20 10 EFCDHN Cc1cccc([C@H]2CCC[N@@H+]2Cc2cc3c(cc2[O-])OC[C@H]3O)n1 ZINC000768463660 577276006 /nfs/dbraw/zinc/27/60/06/577276006.db2.gz VNZMXCBUOVBQMA-SJLPKXTDSA-N 0 3 326.396 2.859 20 10 EFCDHN Cc1cccc([C@H]2CCC[N@H+]2Cc2cc3c(cc2[O-])OC[C@H]3O)n1 ZINC000768463660 577276007 /nfs/dbraw/zinc/27/60/07/577276007.db2.gz VNZMXCBUOVBQMA-SJLPKXTDSA-N 0 3 326.396 2.859 20 10 EFCDHN CCC1(CC)[C@H](OC)C[C@@H]1[N@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768462504 577276073 /nfs/dbraw/zinc/27/60/73/577276073.db2.gz MCJVXRWQSKAXCY-RYQLBKOJSA-N 0 3 335.444 2.844 20 10 EFCDHN CCC1(CC)[C@H](OC)C[C@@H]1[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768462504 577276075 /nfs/dbraw/zinc/27/60/75/577276075.db2.gz MCJVXRWQSKAXCY-RYQLBKOJSA-N 0 3 335.444 2.844 20 10 EFCDHN CCN(CC)c1ccc(CN2CCC[C@H]2CN2CCOCC2)cc1F ZINC000768938373 577318342 /nfs/dbraw/zinc/31/83/42/577318342.db2.gz YVBNAOLQASTJBF-SFHVURJKSA-N 0 3 349.494 2.969 20 10 EFCDHN C[C@@H]1CN(C[C@H]2CCCN2Cc2ccc(N(C)C)c(F)c2)C[C@@H](C)O1 ZINC000769108123 577334808 /nfs/dbraw/zinc/33/48/08/577334808.db2.gz LMACCHNPNDYWFH-JFIYKMOQSA-N 0 3 349.494 2.965 20 10 EFCDHN CCOc1ccc(C[N@@H+]2CCC[C@@H]2CN2C[C@@H](C)O[C@H](C)C2)c([O-])c1 ZINC000769106977 577334826 /nfs/dbraw/zinc/33/48/26/577334826.db2.gz HZVVLEJCRLUIDA-JFIYKMOQSA-N 0 3 348.487 2.865 20 10 EFCDHN CCOc1ccc(C[N@H+]2CCC[C@@H]2CN2C[C@@H](C)O[C@H](C)C2)c([O-])c1 ZINC000769106977 577334827 /nfs/dbraw/zinc/33/48/27/577334827.db2.gz HZVVLEJCRLUIDA-JFIYKMOQSA-N 0 3 348.487 2.865 20 10 EFCDHN CCOc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)C(C)C)C2)c([O-])c1 ZINC000769206471 577344457 /nfs/dbraw/zinc/34/44/57/577344457.db2.gz LIOZEPZUWDMLDF-HNNXBMFYSA-N 0 3 334.460 2.775 20 10 EFCDHN CCOc1ccc(C[N@H+]2CCC[C@@H](CNC(=O)C(C)C)C2)c([O-])c1 ZINC000769206471 577344458 /nfs/dbraw/zinc/34/44/58/577344458.db2.gz LIOZEPZUWDMLDF-HNNXBMFYSA-N 0 3 334.460 2.775 20 10 EFCDHN CCCCNC(=O)[C@H]1CCC[N@H+](Cc2ccc(OCC)cc2[O-])C1 ZINC000769209798 577344625 /nfs/dbraw/zinc/34/46/25/577344625.db2.gz VBXRYXSUULXFPX-INIZCTEOSA-N 0 3 334.460 2.919 20 10 EFCDHN CCCCNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(OCC)cc2[O-])C1 ZINC000769209798 577344626 /nfs/dbraw/zinc/34/46/26/577344626.db2.gz VBXRYXSUULXFPX-INIZCTEOSA-N 0 3 334.460 2.919 20 10 EFCDHN CN(C)c1ccc(CN(C)CC(C)(C)CN2CCOCC2)cc1F ZINC000769516963 577369400 /nfs/dbraw/zinc/36/94/00/577369400.db2.gz WXHAZLUTWMEZTR-UHFFFAOYSA-N 0 3 337.483 2.682 20 10 EFCDHN C[C@H](CCN1CCN(C)CC1)[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000770006610 577397529 /nfs/dbraw/zinc/39/75/29/577397529.db2.gz YZQRXHCPLROPPV-FMKPAKJESA-N 0 3 335.467 2.695 20 10 EFCDHN C[C@@H]1CCN(CC(=O)NCc2ccc(N(C)C)cc2)CC12CCC2 ZINC000771465378 581214819 /nfs/dbraw/zinc/21/48/19/581214819.db2.gz UXGMBGOEPXVQIC-MRXNPFEDSA-N 0 3 329.488 2.881 20 10 EFCDHN CC[C@@H]1CC[C@@H](C)N1CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000772346511 581310953 /nfs/dbraw/zinc/31/09/53/581310953.db2.gz OEEYYGGFTQQZBD-IAGOWNOFSA-N 0 3 345.487 2.607 20 10 EFCDHN C[C@@H](NCC(C)(C)CO)c1ccc(N2CCOCC2)cc1Cl ZINC000773071938 581393841 /nfs/dbraw/zinc/39/38/41/581393841.db2.gz LSAFTVKORXWSPS-CYBMUJFWSA-N 0 3 326.868 2.846 20 10 EFCDHN C[C@@H](N[C@H](CO)CC1CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000773107564 581396889 /nfs/dbraw/zinc/39/68/89/581396889.db2.gz XPZBJEISVVCLFI-HIFRSBDPSA-N 0 3 338.879 2.988 20 10 EFCDHN Cc1cc(C(=O)N(CCN(C)C)C2CC2)c(C)n1-c1ccccn1 ZINC000773110223 581397490 /nfs/dbraw/zinc/39/74/90/581397490.db2.gz HDRGPGFSOVOQMP-UHFFFAOYSA-N 0 3 326.444 2.655 20 10 EFCDHN C[C@H](NC(=O)NCCN1CCC[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000773217067 581406562 /nfs/dbraw/zinc/40/65/62/581406562.db2.gz HCSHXDOBCGKRSY-CVEARBPZSA-N 0 3 332.492 2.845 20 10 EFCDHN CCOC(=O)[C@@]1(C(C)C)CC[N@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000773324532 581418936 /nfs/dbraw/zinc/41/89/36/581418936.db2.gz CUKGOKVXMKBXLU-SFHVURJKSA-N 0 3 335.400 2.532 20 10 EFCDHN CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000773324532 581418938 /nfs/dbraw/zinc/41/89/38/581418938.db2.gz CUKGOKVXMKBXLU-SFHVURJKSA-N 0 3 335.400 2.532 20 10 EFCDHN CN1CCC2(CC[NH+](Cc3cc4c(cc3[O-])CCCC4)CC2)C1=O ZINC000773327466 581419593 /nfs/dbraw/zinc/41/95/93/581419593.db2.gz PMIQADPFOQNMHG-UHFFFAOYSA-N 0 3 328.456 2.715 20 10 EFCDHN C[C@H](NC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1)c1ccc(N(C)C)cc1 ZINC000773371704 581423974 /nfs/dbraw/zinc/42/39/74/581423974.db2.gz ULTWRLWRZUALTB-IJEWVQPXSA-N 0 3 330.476 2.738 20 10 EFCDHN CCN(C)c1ccc(CN2CCCN(C[C@H]3CCCO3)CC2)cc1 ZINC000773728611 581458588 /nfs/dbraw/zinc/45/85/88/581458588.db2.gz DOYUTHRAPWITMG-HXUWFJFHSA-N 0 3 331.504 2.829 20 10 EFCDHN COC[C@H](C)OC[C@H](O)C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000773758743 581462347 /nfs/dbraw/zinc/46/23/47/581462347.db2.gz XSUXDUBAQHFHLE-MAUKXSAKSA-N 0 3 337.460 2.549 20 10 EFCDHN COC[C@H](C)OC[C@H](O)C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000773758743 581462349 /nfs/dbraw/zinc/46/23/49/581462349.db2.gz XSUXDUBAQHFHLE-MAUKXSAKSA-N 0 3 337.460 2.549 20 10 EFCDHN Cc1cc(CN[C@H](C)c2cccc(S(N)(=O)=O)c2)ccc1N(C)C ZINC000774446530 581491751 /nfs/dbraw/zinc/49/17/51/581491751.db2.gz BYZDWRGMMHTQFM-CQSZACIVSA-N 0 3 347.484 2.559 20 10 EFCDHN C[C@H](N[C@@H](Cc1ccc(F)cc1)C(N)=O)c1ccc(N(C)C)cc1 ZINC000774483803 581492558 /nfs/dbraw/zinc/49/25/58/581492558.db2.gz LZNZSFMPELZSDY-UGSOOPFHSA-N 0 3 329.419 2.639 20 10 EFCDHN CCN1CC[C@H]([N@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C[C@@H]1C ZINC000774904807 581503721 /nfs/dbraw/zinc/50/37/21/581503721.db2.gz XBQFSKBCQSQLIW-JSGCOSHPSA-N 0 3 337.420 2.614 20 10 EFCDHN CCN1CC[C@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C[C@@H]1C ZINC000774904807 581503722 /nfs/dbraw/zinc/50/37/22/581503722.db2.gz XBQFSKBCQSQLIW-JSGCOSHPSA-N 0 3 337.420 2.614 20 10 EFCDHN CC[N@@H+]1CC[C@H](N(C)Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C[C@@H]1C ZINC000774904807 581503723 /nfs/dbraw/zinc/50/37/23/581503723.db2.gz XBQFSKBCQSQLIW-JSGCOSHPSA-N 0 3 337.420 2.614 20 10 EFCDHN CC[N@H+]1CC[C@H](N(C)Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C[C@@H]1C ZINC000774904807 581503724 /nfs/dbraw/zinc/50/37/24/581503724.db2.gz XBQFSKBCQSQLIW-JSGCOSHPSA-N 0 3 337.420 2.614 20 10 EFCDHN CCCn1nccc1CN[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000850076949 1250266310 /nfs/dbraw/zinc/26/63/10/1250266310.db2.gz GTHGPKZHPLTYFR-INIZCTEOSA-N 0 3 328.460 2.981 20 10 EFCDHN COc1cc(CN[C@@H]2CCN(C(C)C)C2=O)c(O)c(C(C)(C)C)c1 ZINC000850136833 1250309005 /nfs/dbraw/zinc/30/90/05/1250309005.db2.gz FQEBXPZTOUMHPW-MRXNPFEDSA-N 0 3 334.460 2.797 20 10 EFCDHN COc1ccc(N2C[C@H]([NH2+][C@H](C)c3ccccc3[O-])CC2=O)cc1 ZINC000850516037 1250519543 /nfs/dbraw/zinc/51/95/43/1250519543.db2.gz QWGHYBLOCDCPTH-ZIAGYGMSSA-N 0 3 326.396 2.857 20 10 EFCDHN COc1ccc(N2C[C@@H]([NH2+][C@@H](C)c3ccccc3[O-])CC2=O)cc1 ZINC000850516034 1250520508 /nfs/dbraw/zinc/52/05/08/1250520508.db2.gz QWGHYBLOCDCPTH-KBPBESRZSA-N 0 3 326.396 2.857 20 10 EFCDHN CC[C@@H](C)N1C(=O)C[C@@]2(CCC[N@H+](Cc3ccc(C)cc3[O-])C2)C1=O ZINC001272764980 1257678100 /nfs/dbraw/zinc/67/81/00/1257678100.db2.gz FKBNZWAPNFBGIN-FOIQADDNSA-N 0 3 344.455 2.840 20 10 EFCDHN CC[C@@H](C)N1C(=O)C[C@@]2(CCC[N@@H+](Cc3ccc(C)cc3[O-])C2)C1=O ZINC001272764980 1257678105 /nfs/dbraw/zinc/67/81/05/1257678105.db2.gz FKBNZWAPNFBGIN-FOIQADDNSA-N 0 3 344.455 2.840 20 10 EFCDHN CC(=O)[C@@H](C)N1C[C@]2(CC1=O)CCCCN2Cc1ccc(C)cc1O ZINC001272764924 1257681276 /nfs/dbraw/zinc/68/12/76/1257681276.db2.gz CTXKPVSKCQTXMB-FOIQADDNSA-N 0 3 344.455 2.635 20 10 EFCDHN CC[C@H](C)N1CCC2(CCN(Cc3ccc(O)c(O)c3)CC2)C1=O ZINC001272903023 1261293847 /nfs/dbraw/zinc/29/38/47/1261293847.db2.gz JUYLTEPLLWTEPD-AWEZNQCLSA-N 0 3 332.444 2.711 20 10 EFCDHN O=C1N(C2CCCC2)CCC12CCN(Cc1ccc(O)c(O)c1)CC2 ZINC001272903380 1261295690 /nfs/dbraw/zinc/29/56/90/1261295690.db2.gz SACUTCUSRVUIAI-UHFFFAOYSA-N 0 3 344.455 2.855 20 10 EFCDHN Cc1cc([O-])c(CN2CC[NH+](CC3CCOCC3)CC2)cc1Cl ZINC000824802233 1278290373 /nfs/dbraw/zinc/29/03/73/1278290373.db2.gz JDRFGLDGCRDXSM-UHFFFAOYSA-N 0 3 338.879 2.898 20 10 EFCDHN CCOc1cccc(CN[C@@H](C)C(=O)NCCc2ccccc2)c1O ZINC000825035692 1278391022 /nfs/dbraw/zinc/39/10/22/1278391022.db2.gz OVUUQMVSPNSJNE-HNNXBMFYSA-N 0 3 342.439 2.628 20 10 EFCDHN CCOc1ccc(C[NH2+][C@H]2CCO[C@@H](c3ccnn3C)C2)c([O-])c1 ZINC000825046277 1278396278 /nfs/dbraw/zinc/39/62/78/1278396278.db2.gz RPDPSPTTYQZFLI-KBXCAEBGSA-N 0 3 331.416 2.534 20 10 EFCDHN COc1cccc(CN[C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)c1O ZINC000825112992 1278414644 /nfs/dbraw/zinc/41/46/44/1278414644.db2.gz XRNUASPSMNCABR-UONOGXRCSA-N 0 3 340.423 2.857 20 10 EFCDHN COc1cccc(CN[C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)c1O ZINC000825112991 1278414846 /nfs/dbraw/zinc/41/48/46/1278414846.db2.gz XRNUASPSMNCABR-KGLIPLIRSA-N 0 3 340.423 2.857 20 10 EFCDHN COc1cccc([O-])c1C[NH2+][C@@H]1C[C@H](OC(C)(C)C)[C@H]1n1cccn1 ZINC000825117691 1278417855 /nfs/dbraw/zinc/41/78/55/1278417855.db2.gz JSWPXSUTPJFCLY-JLSDUUJJSA-N 0 3 345.443 2.884 20 10 EFCDHN CCOc1ccc(C[NH2+]C[C@@H](c2nnc[nH]2)c2ccccc2)c([O-])c1 ZINC000825124425 1278421069 /nfs/dbraw/zinc/42/10/69/1278421069.db2.gz PTGBJWLSEFPSLK-QGZVFWFLSA-N 0 3 338.411 2.831 20 10 EFCDHN CC(C)CN1CC[C@H]1CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001085994766 1269450070 /nfs/dbraw/zinc/45/00/70/1269450070.db2.gz UMAXCLXAJDFWAC-HNNXBMFYSA-N 0 3 331.420 2.651 20 10 EFCDHN CC[C@@H](NCc1ccc2c(c1)CCN2Cc1ccccc1)C(=O)NC ZINC000825316779 1278503774 /nfs/dbraw/zinc/50/37/74/1278503774.db2.gz SXZYLGKEJQRNSV-LJQANCHMSA-N 0 3 337.467 2.864 20 10 EFCDHN COc1cc(CNC(C)(C)CS(C)(=O)=O)c(O)c(C(C)(C)C)c1 ZINC000825519976 1278582130 /nfs/dbraw/zinc/58/21/30/1278582130.db2.gz PQPADIFEYYXHNX-UHFFFAOYSA-N 0 3 343.489 2.611 20 10 EFCDHN C[C@H]([NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1)c1ccccc1[O-] ZINC000702603456 1271556233 /nfs/dbraw/zinc/55/62/33/1271556233.db2.gz NDVGXCUEBIAPDZ-OXJNMPFZSA-N 0 3 326.440 2.680 20 10 EFCDHN [O-]c1cccc(Cl)c1C[NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000702636172 1271564475 /nfs/dbraw/zinc/56/44/75/1271564475.db2.gz MAJLRFOXJLIXHO-IBGZPJMESA-N 0 3 346.858 2.772 20 10 EFCDHN COc1ccc(C[C@H](C)[NH2+]Cc2ccc(O)cc2[O-])c([N+](=O)[O-])c1 ZINC001170306204 1278974694 /nfs/dbraw/zinc/97/46/94/1278974694.db2.gz RSCSQJCKOYTKIQ-NSHDSACASA-N 0 3 332.356 2.735 20 10 EFCDHN COC(=O)[C@@H]1CC[N@H+](Cc2cc(Br)cc(C)c2[O-])[C@H]1C ZINC000787420065 1275769258 /nfs/dbraw/zinc/76/92/58/1275769258.db2.gz CTLAYUPMFILMCG-GXFFZTMASA-N 0 3 342.233 2.847 20 10 EFCDHN COC(=O)[C@@H]1CC[N@@H+](Cc2cc(Br)cc(C)c2[O-])[C@H]1C ZINC000787420065 1275769260 /nfs/dbraw/zinc/76/92/60/1275769260.db2.gz CTLAYUPMFILMCG-GXFFZTMASA-N 0 3 342.233 2.847 20 10 EFCDHN COC(=O)[C@@H]1CCN(Cc2cc(Br)cc(C)c2O)[C@H]1C ZINC000787420065 1275769264 /nfs/dbraw/zinc/76/92/64/1275769264.db2.gz CTLAYUPMFILMCG-GXFFZTMASA-N 0 3 342.233 2.847 20 10 EFCDHN CC(C)OCC[C@H](O)C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000788274463 1276124163 /nfs/dbraw/zinc/12/41/63/1276124163.db2.gz HODWHAUVXCLENQ-ROUUACIJSA-N 0 3 337.460 2.549 20 10 EFCDHN CC(C)OCC[C@H](O)C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000788274463 1276124169 /nfs/dbraw/zinc/12/41/69/1276124169.db2.gz HODWHAUVXCLENQ-ROUUACIJSA-N 0 3 337.460 2.549 20 10 EFCDHN C[C@@H](NCc1ccc(N2CCSCC2)cc1)c1cnccc1N ZINC000817888403 1276348300 /nfs/dbraw/zinc/34/83/00/1276348300.db2.gz LDZNKRLGSUIFTP-CQSZACIVSA-N 0 3 328.485 2.898 20 10 EFCDHN C[C@@H]1C[C@@H](C)N(Cc2cccc(Br)c2[O-])C[C@@H]1C[NH3+] ZINC000817865970 1276351242 /nfs/dbraw/zinc/35/12/42/1276351242.db2.gz QFIFCUJNBDUJDO-WZRBSPASSA-N 0 3 327.266 2.960 20 10 EFCDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2C[C@H](F)CN2)c1[O-] ZINC000817976038 1276416736 /nfs/dbraw/zinc/41/67/36/1276416736.db2.gz DWMPIAWSIPBAHX-DLOVCJGASA-N 0 3 331.229 2.814 20 10 EFCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H]2C[C@H](F)CN2)c1[O-] ZINC000817976039 1276416816 /nfs/dbraw/zinc/41/68/16/1276416816.db2.gz DWMPIAWSIPBAHX-USWWRNFRSA-N 0 3 331.229 2.814 20 10 EFCDHN CC[C@H](NC[C@H]1CCN(c2ccc(OC)cc2)C1)c1ccn(C)n1 ZINC000818342112 1276510021 /nfs/dbraw/zinc/51/00/21/1276510021.db2.gz LSODHOGOPYJDRM-QAPCUYQASA-N 0 3 328.460 2.996 20 10 EFCDHN C[C@](O)(CNCc1ccc(N2CCSCC2)cc1)C(F)(F)F ZINC000818963851 1276552138 /nfs/dbraw/zinc/55/21/38/1276552138.db2.gz CEMSSADIBHARJC-AWEZNQCLSA-N 0 3 334.407 2.643 20 10 EFCDHN C[C@]12CC[N@H+](Cc3cc4c(cc3[O-])OC[C@H]4O)C[C@H]1C2(Cl)Cl ZINC000789486469 1276748053 /nfs/dbraw/zinc/74/80/53/1276748053.db2.gz LUMXRLLBYLJUKA-YUELXQCFSA-N 0 3 344.238 2.834 20 10 EFCDHN C[C@]12CC[N@@H+](Cc3cc4c(cc3[O-])OC[C@H]4O)C[C@H]1C2(Cl)Cl ZINC000789486469 1276748063 /nfs/dbraw/zinc/74/80/63/1276748063.db2.gz LUMXRLLBYLJUKA-YUELXQCFSA-N 0 3 344.238 2.834 20 10 EFCDHN C[C@]12CCN(Cc3cc4c(cc3O)OC[C@H]4O)C[C@H]1C2(Cl)Cl ZINC000789486469 1276748073 /nfs/dbraw/zinc/74/80/73/1276748073.db2.gz LUMXRLLBYLJUKA-YUELXQCFSA-N 0 3 344.238 2.834 20 10 EFCDHN CCCN1CCC[C@H]1C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819582455 1276824795 /nfs/dbraw/zinc/82/47/95/1276824795.db2.gz MBWONVLVSRHRSS-LPHOPBHVSA-N 0 3 345.487 2.512 20 10 EFCDHN COCCc1ccc(OC[C@@H](O)C[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000815081769 1287305783 /nfs/dbraw/zinc/30/57/83/1287305783.db2.gz NWUDIOQGHBBVJL-WBVHZDCISA-N 0 3 345.439 2.672 20 10 EFCDHN [O-]c1ccc(Cl)c(F)c1C[NH2+]C1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000790977403 1277908570 /nfs/dbraw/zinc/90/85/70/1277908570.db2.gz KOWNZENTYGTEED-GOEBONIOSA-N 0 3 342.842 2.652 20 10 EFCDHN [O-]c1ccc(Cl)c(F)c1CNC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000790977403 1277908574 /nfs/dbraw/zinc/90/85/74/1277908574.db2.gz KOWNZENTYGTEED-GOEBONIOSA-N 0 3 342.842 2.652 20 10 EFCDHN COc1ccc(CNC(=O)NC[C@H](c2ccccc2)N(C)C)c(O)c1 ZINC000792779968 1279172771 /nfs/dbraw/zinc/17/27/71/1279172771.db2.gz LXOGCMUOAUFNSA-QGZVFWFLSA-N 0 3 343.427 2.503 20 10 EFCDHN CNC(=O)C1(NCc2ccc(N(C)C)cc2C(F)(F)F)CCCC1 ZINC000793099320 1279375951 /nfs/dbraw/zinc/37/59/51/1279375951.db2.gz PWMPBYUVGJVSRF-UHFFFAOYSA-N 0 3 343.393 2.920 20 10 EFCDHN CN(C)c1ccc(CN2CCCNC(=O)[C@@H]2Cc2ccccc2)cc1 ZINC000815140772 1287343519 /nfs/dbraw/zinc/34/35/19/1287343519.db2.gz IXAIBKFFMNRBHL-FQEVSTJZSA-N 0 3 337.467 2.686 20 10 EFCDHN Oc1cc(O)c(CN2CCN(Cc3ccc(Cl)cc3)CC2)c(O)c1 ZINC001144514413 1279773994 /nfs/dbraw/zinc/77/39/94/1279773994.db2.gz CBWDRMUMBYVLIU-UHFFFAOYSA-N 0 3 348.830 2.775 20 10 EFCDHN COc1ccc(O)c(CN2CCN(C)[C@H](Cc3ccccc3)C2)c1 ZINC000793619545 1279779785 /nfs/dbraw/zinc/77/97/85/1279779785.db2.gz HAVONUJIPAVJQW-GOSISDBHSA-N 0 3 326.440 2.760 20 10 EFCDHN COc1ccc(O)c([C@@H](C)NCc2cc3c(cc2OC)OCO3)c1 ZINC000845971549 1279948374 /nfs/dbraw/zinc/94/83/74/1279948374.db2.gz LHHCLVBZEZRRLK-LLVKDONJSA-N 0 3 331.368 2.989 20 10 EFCDHN COc1cccc([C@H](C)N[C@H]2CCN(c3ccc(F)cc3)C2=O)c1O ZINC000846171823 1280047274 /nfs/dbraw/zinc/04/72/74/1280047274.db2.gz IBRCALDOMUASIU-LRDDRELGSA-N 0 3 344.386 2.996 20 10 EFCDHN COc1cccc([C@@H](C)NCC(=O)N(C)Cc2ccccc2)c1O ZINC000846140858 1280049694 /nfs/dbraw/zinc/04/96/94/1280049694.db2.gz HBNALUHVJNTOKI-CQSZACIVSA-N 0 3 328.412 2.710 20 10 EFCDHN COc1cccc([C@H](C)NCCS(=O)(=O)Cc2ccccc2)c1O ZINC000846141863 1280050071 /nfs/dbraw/zinc/05/00/71/1280050071.db2.gz AZKRZITZRGXAHE-AWEZNQCLSA-N 0 3 349.452 2.666 20 10 EFCDHN COCC(C)(C)N1CCN(Cc2cc(Cl)cc(OC)c2O)CC1 ZINC000822498208 1289015550 /nfs/dbraw/zinc/01/55/50/1289015550.db2.gz WLRJBKMLAUPRAJ-UHFFFAOYSA-N 0 3 342.867 2.597 20 10 EFCDHN CCCNC(=O)CCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000846824061 1280519509 /nfs/dbraw/zinc/51/95/09/1280519509.db2.gz GSFBOWFOUIZTRN-QGZVFWFLSA-N 0 3 334.460 2.680 20 10 EFCDHN CCCNC(=O)CCC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000846824061 1280519512 /nfs/dbraw/zinc/51/95/12/1280519512.db2.gz GSFBOWFOUIZTRN-QGZVFWFLSA-N 0 3 334.460 2.680 20 10 EFCDHN CNC(=O)[C@H](CCSC)[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000806663917 1281129815 /nfs/dbraw/zinc/12/98/15/1281129815.db2.gz XDVLBYFUGPXAKM-ADEWGFFLSA-N 0 3 326.437 2.537 20 10 EFCDHN CCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]3CN(C(C)=O)C[C@@H]32)c([O-])c1 ZINC000808448203 1281714833 /nfs/dbraw/zinc/71/48/33/1281714833.db2.gz ZLENQGJKIUOKGB-BPQIPLTHSA-N 0 3 332.444 2.528 20 10 EFCDHN CCS(=O)(=O)N(C)CCC[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808676226 1281858884 /nfs/dbraw/zinc/85/88/84/1281858884.db2.gz HYYVCKSATDIGDP-LBPRGKRZSA-N 0 3 348.896 2.676 20 10 EFCDHN COc1cc(Br)cc(C[N@@H+](C)[C@H]2CCCOC2)c1[O-] ZINC000809692714 1282381639 /nfs/dbraw/zinc/38/16/39/1282381639.db2.gz FJIBVVYURMTVRI-LBPRGKRZSA-N 0 3 330.222 2.774 20 10 EFCDHN CCNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1ccc(OCC)cc1[O-] ZINC000809691700 1282379340 /nfs/dbraw/zinc/37/93/40/1282379340.db2.gz QAWKCRXFLKVOOG-HNNXBMFYSA-N 0 3 336.432 2.892 20 10 EFCDHN CCNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1ccc(OCC)cc1[O-] ZINC000809691700 1282379346 /nfs/dbraw/zinc/37/93/46/1282379346.db2.gz QAWKCRXFLKVOOG-HNNXBMFYSA-N 0 3 336.432 2.892 20 10 EFCDHN CCOc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)c([O-])c1 ZINC000809697524 1282380283 /nfs/dbraw/zinc/38/02/83/1282380283.db2.gz IIZVRJRQKFMAIS-TZMCWYRMSA-N 0 3 333.350 2.784 20 10 EFCDHN CCOc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)c([O-])c1 ZINC000809697524 1282380293 /nfs/dbraw/zinc/38/02/93/1282380293.db2.gz IIZVRJRQKFMAIS-TZMCWYRMSA-N 0 3 333.350 2.784 20 10 EFCDHN COc1cc(Br)cc(C[N@H+](C)[C@H]2CCCOC2)c1[O-] ZINC000809692714 1282381629 /nfs/dbraw/zinc/38/16/29/1282381629.db2.gz FJIBVVYURMTVRI-LBPRGKRZSA-N 0 3 330.222 2.774 20 10 EFCDHN CCN(CC)c1ccc(CN2C[C@@H](N3CCOCC3)C[C@@H]2C)cc1F ZINC000809700798 1282389830 /nfs/dbraw/zinc/38/98/30/1282389830.db2.gz OIEQXZFWDUGTHX-WMZOPIPTSA-N 0 3 349.494 2.967 20 10 EFCDHN CC(C)OC[C@H](CO)N(C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000809768680 1282431000 /nfs/dbraw/zinc/43/10/00/1282431000.db2.gz SUJUODRVRQMSMD-HNNXBMFYSA-N 0 3 348.409 2.989 20 10 EFCDHN CN(C)C[C@H](O)C[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815577157 1287608543 /nfs/dbraw/zinc/60/85/43/1287608543.db2.gz IBBBPWTYYMGWTK-IEBWSBKVSA-N 0 3 328.456 2.578 20 10 EFCDHN C[C@H]([NH2+]CC1(O)CCN(C)CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000815582789 1287612096 /nfs/dbraw/zinc/61/20/96/1287612096.db2.gz PIOYVINDZXLKLW-NSHDSACASA-N 0 3 332.366 2.518 20 10 EFCDHN COc1ccc(O)c(CN2CCCC[C@H]2COC(=O)NC2CC2)c1 ZINC000811511952 1284391016 /nfs/dbraw/zinc/39/10/16/1284391016.db2.gz YIDNQYTWFUVVQG-HNNXBMFYSA-N 0 3 334.416 2.644 20 10 EFCDHN CN(C)c1ccc(CN[C@H]2CC(=O)N(c3ccccc3F)C2)cc1 ZINC000812782445 1285415573 /nfs/dbraw/zinc/41/55/73/1285415573.db2.gz UDJKZMONGHLOAS-HNNXBMFYSA-N 0 3 327.403 2.787 20 10 EFCDHN O=C(c1ccccc1)N1CCC[C@@H]([NH2+]Cc2cccc(O)c2[O-])CC1 ZINC001171876451 1285837055 /nfs/dbraw/zinc/83/70/55/1285837055.db2.gz BPUUGNYTRMYYIG-QGZVFWFLSA-N 0 3 340.423 2.882 20 10 EFCDHN CCOc1ccc(C[NH2+]Cc2cc3ccccc3n(C)c2=O)c([O-])c1 ZINC000813790827 1286120425 /nfs/dbraw/zinc/12/04/25/1286120425.db2.gz ZTYWMJQPGFOXLZ-UHFFFAOYSA-N 0 3 338.407 2.933 20 10 EFCDHN C[NH+](C)CCOC1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000816507492 1288178857 /nfs/dbraw/zinc/17/88/57/1288178857.db2.gz IIIUSQOFZFZLDW-UHFFFAOYSA-N 0 3 330.831 2.727 20 10 EFCDHN COCC1([NH2+]Cc2cc(Br)cc(C)c2[O-])CCOCC1 ZINC000816625450 1288213987 /nfs/dbraw/zinc/21/39/87/1288213987.db2.gz DRSZPYYICZGNLW-UHFFFAOYSA-N 0 3 344.249 2.748 20 10 EFCDHN C[N@H+](Cc1cccc(CN2CCOCC2)c1)Cc1ccccc1[O-] ZINC000817275980 1288519973 /nfs/dbraw/zinc/51/99/73/1288519973.db2.gz PQQSKILYZBJZKO-UHFFFAOYSA-N 0 3 326.440 2.856 20 10 EFCDHN C[N@@H+](Cc1cccc(CN2CCOCC2)c1)Cc1ccccc1[O-] ZINC000817275980 1288519975 /nfs/dbraw/zinc/51/99/75/1288519975.db2.gz PQQSKILYZBJZKO-UHFFFAOYSA-N 0 3 326.440 2.856 20 10 EFCDHN CC(C)N(Cc1cnc(N(C)C)n1C)Cc1ccc(N(C)C)cc1 ZINC000822442989 1288988472 /nfs/dbraw/zinc/98/84/72/1288988472.db2.gz MRTKLZGQLVEYLA-UHFFFAOYSA-N 0 3 329.492 2.963 20 10 EFCDHN C[C@@H]1C[C@@H](NC[C@H](c2ccc(N(C)C)cc2)N(C)C)c2nccn21 ZINC000903447868 1312693752 /nfs/dbraw/zinc/69/37/52/1312693752.db2.gz DPFRXDUYPJYSRS-ZTFGCOKTSA-N 0 3 327.476 2.847 20 10 EFCDHN COC(=O)c1c(CN2CC[C@@H](C)[C@H](O)CC2)c2ccccc2n1C ZINC001232402572 1312693880 /nfs/dbraw/zinc/69/38/80/1312693880.db2.gz PQXWQQQQIREPPF-CXAGYDPISA-N 0 3 330.428 2.558 20 10 EFCDHN COC(=O)c1c(CN2CC[C@H]3OCCC[C@H]3C2)c2ccccc2n1C ZINC001232401651 1312694082 /nfs/dbraw/zinc/69/40/82/1312694082.db2.gz ANCRZVBVTHGREV-KBXCAEBGSA-N 0 3 342.439 2.966 20 10 EFCDHN COc1cc([C@@H](C)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)on1 ZINC000903448382 1312694644 /nfs/dbraw/zinc/69/46/44/1312694644.db2.gz OFZLWXPNKWPQOV-CJNGLKHVSA-N 0 3 332.448 2.703 20 10 EFCDHN COC(=O)c1c(CN2CCC[C@](C)(O)CC2)c2ccccc2n1C ZINC001232403106 1312694771 /nfs/dbraw/zinc/69/47/71/1312694771.db2.gz UNARKCPPMLEOKK-IBGZPJMESA-N 0 3 330.428 2.702 20 10 EFCDHN CCc1cc(CNCc2ccc(OC)c(Cn3cccn3)c2)n[nH]1 ZINC000873049743 1289540746 /nfs/dbraw/zinc/54/07/46/1289540746.db2.gz LBWZIABEVKQGDG-UHFFFAOYSA-N 0 3 325.416 2.515 20 10 EFCDHN CCCOc1ccc(CN[C@H](CC)C(=O)N2CCOCC2)cc1C ZINC000873074248 1289553785 /nfs/dbraw/zinc/55/37/85/1289553785.db2.gz KDSDDKOFPASZIX-QGZVFWFLSA-N 0 3 334.460 2.511 20 10 EFCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]C[C@H]1CCCN1CCCO ZINC000824559087 1289699364 /nfs/dbraw/zinc/69/93/64/1289699364.db2.gz FGCIACXWERPYJF-HXUWFJFHSA-N 0 3 340.467 2.996 20 10 EFCDHN [O-]c1cccc2c1[C@H]([NH2+][C@H]1CCc3ncc(Br)n3C1)CC2 ZINC000903481116 1312748189 /nfs/dbraw/zinc/74/81/89/1312748189.db2.gz VICSSEFVHMATIS-NWDGAFQWSA-N 0 3 348.244 2.943 20 10 EFCDHN Cc1cc([O-])c(C[NH2+]CCCN2CCCO[C@H](C)C2)cc1Cl ZINC000825697582 1290045645 /nfs/dbraw/zinc/04/56/45/1290045645.db2.gz HITAPIJQTHPNPZ-CQSZACIVSA-N 0 3 326.868 2.945 20 10 EFCDHN O=C(NCc1cc(Cl)c2cccnc2c1[O-])[C@@H]1C[NH+]2CCC1CC2 ZINC001182017422 1290061892 /nfs/dbraw/zinc/06/18/92/1290061892.db2.gz KZWUKDQVXQGIEO-CQSZACIVSA-N 0 3 345.830 2.552 20 10 EFCDHN O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1CCN1C1CCCC1 ZINC000874002240 1290159127 /nfs/dbraw/zinc/15/91/27/1290159127.db2.gz XEJNVMKBXSMVOQ-IBGZPJMESA-N 0 3 327.472 2.920 20 10 EFCDHN COc1cc(Br)cc(CN2CCC[C@H](C)[C@@H]2CO)c1O ZINC001204336375 1290175726 /nfs/dbraw/zinc/17/57/26/1290175726.db2.gz MCSXUHDHMWESIL-GWCFXTLKSA-N 0 3 344.249 2.756 20 10 EFCDHN CN(CC(=O)NCc1ccc(N2CCSCC2)cc1)CC(C)(C)C ZINC000874081044 1290196299 /nfs/dbraw/zinc/19/62/99/1290196299.db2.gz BZYGCCHCFOPKTJ-UHFFFAOYSA-N 0 3 349.544 2.834 20 10 EFCDHN Cc1nc(CC[N@@H+](C)Cc2cc(C)c(Br)cc2[O-])no1 ZINC001250120983 1290381451 /nfs/dbraw/zinc/38/14/51/1290381451.db2.gz XGLNQSDQCQWXBT-UHFFFAOYSA-N 0 3 340.221 2.829 20 10 EFCDHN Cc1nc(CC[N@H+](C)Cc2cc(C)c(Br)cc2[O-])no1 ZINC001250120983 1290381461 /nfs/dbraw/zinc/38/14/61/1290381461.db2.gz XGLNQSDQCQWXBT-UHFFFAOYSA-N 0 3 340.221 2.829 20 10 EFCDHN COC(=O)c1cccc2c1CCN(Cc1ccc(N(C)C)cc1O)C2 ZINC001232841356 1312793209 /nfs/dbraw/zinc/79/32/09/1312793209.db2.gz DQLDRAINHDCOJK-UHFFFAOYSA-N 0 3 340.423 2.803 20 10 EFCDHN C[N@H+](Cc1ccc(N2CCOCC2)c(F)c1)Cc1ccccc1[O-] ZINC000091956791 1290616551 /nfs/dbraw/zinc/61/65/51/1290616551.db2.gz ZQXKBOIRQRSZLS-UHFFFAOYSA-N 0 3 330.403 3.000 20 10 EFCDHN C[N@@H+](Cc1ccc(N2CCOCC2)c(F)c1)Cc1ccccc1[O-] ZINC000091956791 1290616562 /nfs/dbraw/zinc/61/65/62/1290616562.db2.gz ZQXKBOIRQRSZLS-UHFFFAOYSA-N 0 3 330.403 3.000 20 10 EFCDHN Cc1noc(C)c1NC(=O)NC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC001185210326 1290619546 /nfs/dbraw/zinc/61/95/46/1290619546.db2.gz ACZRWZLDLYKNRN-UHFFFAOYSA-N 0 3 344.415 2.783 20 10 EFCDHN COc1ccccc1[C@H](O)CN(Cc1cc(O)c(O)c(O)c1)C(C)C ZINC001233016814 1312833427 /nfs/dbraw/zinc/83/34/27/1312833427.db2.gz PGZGCXCVEGHRIH-QGZVFWFLSA-N 0 3 347.411 2.756 20 10 EFCDHN CCOC(=O)N1CCC(C)(C[NH2+]Cc2ccc(OC)cc2[O-])CC1 ZINC000877493370 1291249023 /nfs/dbraw/zinc/24/90/23/1291249023.db2.gz LDRTXPIVNBAIIQ-UHFFFAOYSA-N 0 3 336.432 2.749 20 10 EFCDHN Cc1ccc(CNCc2ccncc2OC[C@@H]2CCOC2)c(O)c1 ZINC000877534923 1291265454 /nfs/dbraw/zinc/26/54/54/1291265454.db2.gz QRSUHHMVSYWBOL-OAHLLOKOSA-N 0 3 328.412 2.801 20 10 EFCDHN Cc1cc(N(C)C)ccc1CNC[C@H](n1cncn1)C(F)(F)F ZINC000877675265 1291324647 /nfs/dbraw/zinc/32/46/47/1291324647.db2.gz PTVBVEGIEPUSQB-AWEZNQCLSA-N 0 3 327.354 2.546 20 10 EFCDHN COc1ccc(OC)c([C@H](O)[C@H](C)[NH2+]Cc2cc(F)ccc2[O-])c1 ZINC000877831916 1291400698 /nfs/dbraw/zinc/40/06/98/1291400698.db2.gz BYTONHFDNBRWIY-BBATYDOGSA-N 0 3 335.375 2.760 20 10 EFCDHN Cc1cc(Br)cc(C[NH+]2CCC(C)(C(N)=O)CC2)c1[O-] ZINC001233109727 1312856636 /nfs/dbraw/zinc/85/66/36/1312856636.db2.gz ANCJTIQOOWRCGP-UHFFFAOYSA-N 0 3 341.249 2.551 20 10 EFCDHN COc1cc([O-])c(C[N@H+](C)C2CCN(C)CC2)cc1Br ZINC001233134765 1312861938 /nfs/dbraw/zinc/86/19/38/1312861938.db2.gz DBDKFKOGBBUGLF-UHFFFAOYSA-N 0 3 343.265 2.689 20 10 EFCDHN COc1cc([O-])c(C[N@@H+](C)C2CCN(C)CC2)cc1Br ZINC001233134765 1312861941 /nfs/dbraw/zinc/86/19/41/1312861941.db2.gz DBDKFKOGBBUGLF-UHFFFAOYSA-N 0 3 343.265 2.689 20 10 EFCDHN COc1cc(O)c(CN2CCN(C(C)C)CC2)cc1Br ZINC001233135393 1312863170 /nfs/dbraw/zinc/86/31/70/1312863170.db2.gz RXGNGZDVYLFLNK-UHFFFAOYSA-N 0 3 343.265 2.689 20 10 EFCDHN CCOC(=O)c1c(CN2CC[C@@H](C)[C@](C)(O)C2)c2ccccc2n1C ZINC001233270350 1312889820 /nfs/dbraw/zinc/88/98/20/1312889820.db2.gz KONSERQHPCDQFF-JLTOFOAXSA-N 0 3 344.455 2.948 20 10 EFCDHN CCOC(=O)c1c(CN2CC[C@@](C)(CO)C2)c2ccccc2n1C ZINC001233270431 1312889863 /nfs/dbraw/zinc/88/98/63/1312889863.db2.gz NMDKQNZSJRLRKI-LJQANCHMSA-N 0 3 330.428 2.559 20 10 EFCDHN CCOC(=O)c1c(CN2CCC[C@H](CO)C2)c2ccccc2n1C ZINC001233270271 1312889925 /nfs/dbraw/zinc/88/99/25/1312889925.db2.gz HMWOHPIDCQDFQC-AWEZNQCLSA-N 0 3 330.428 2.559 20 10 EFCDHN CCOC(=O)c1c(CN2CCN(CC)[C@H](C)C2)c2ccccc2n1C ZINC001233273456 1312891006 /nfs/dbraw/zinc/89/10/06/1312891006.db2.gz CSQJKCKAYBEKAV-OAHLLOKOSA-N 0 3 343.471 2.881 20 10 EFCDHN CCOC(=O)c1c(CN2CC[C@@H]3OCC[C@H]3C2)c2ccccc2n1C ZINC001233272863 1312891474 /nfs/dbraw/zinc/89/14/74/1312891474.db2.gz FGNBJVRBJPVWHD-KSSFIOAISA-N 0 3 342.439 2.966 20 10 EFCDHN CC(C)(C)c1ccc(O)c(CN2C[C@](O)(C(F)(F)F)C[C@H]2CO)c1 ZINC001233284395 1312895738 /nfs/dbraw/zinc/89/57/38/1312895738.db2.gz SRKFIBZEEJQGNW-BBRMVZONSA-N 0 3 347.377 2.550 20 10 EFCDHN CN(C)C(=O)N[C@@H]1CCCN(Cc2cc(C(C)(C)C)ccc2O)C1 ZINC001233286645 1312895795 /nfs/dbraw/zinc/89/57/95/1312895795.db2.gz CVSQIRMJBLMMGJ-MRXNPFEDSA-N 0 3 333.476 2.925 20 10 EFCDHN COC(=O)[C@@H]1CCCN(Cc2cc(Cl)cc(OC)c2O)[C@H]1C ZINC001233290297 1312896084 /nfs/dbraw/zinc/89/60/84/1312896084.db2.gz VIFWZWKDABJZMM-GXFFZTMASA-N 0 3 327.808 2.828 20 10 EFCDHN COC(=O)[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(OC)c2[O-])[C@H]1C ZINC001233290297 1312896088 /nfs/dbraw/zinc/89/60/88/1312896088.db2.gz VIFWZWKDABJZMM-GXFFZTMASA-N 0 3 327.808 2.828 20 10 EFCDHN COC(=O)[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(OC)c2[O-])[C@H]1C ZINC001233290297 1312896092 /nfs/dbraw/zinc/89/60/92/1312896092.db2.gz VIFWZWKDABJZMM-GXFFZTMASA-N 0 3 327.808 2.828 20 10 EFCDHN COc1cc(Cl)cc(C[NH+]2CCC3(CCCNC3=O)CC2)c1[O-] ZINC001233290131 1312896105 /nfs/dbraw/zinc/89/61/05/1312896105.db2.gz LCVSMPKKKFZTLT-UHFFFAOYSA-N 0 3 338.835 2.546 20 10 EFCDHN COc1ccc(O)c([C@@H](C)NCC(=O)NCCc2ccc(F)cc2)c1 ZINC000775376344 1292124066 /nfs/dbraw/zinc/12/40/66/1292124066.db2.gz UGWICUKFIJFUFH-CYBMUJFWSA-N 0 3 346.402 2.549 20 10 EFCDHN C[C@@H]([NH2+]CC(=O)NCCCOC1CCCCC1)c1ccccc1[O-] ZINC000879648393 1292217565 /nfs/dbraw/zinc/21/75/65/1292217565.db2.gz MSUHWNWZMKFMSU-OAHLLOKOSA-N 0 3 334.460 2.898 20 10 EFCDHN C[C@@H]([NH2+]CCC(=O)Nc1ccc2c(c1)OCO2)c1ccccc1[O-] ZINC000879649290 1292218191 /nfs/dbraw/zinc/21/81/91/1292218191.db2.gz PUHRUTKMNUBGQO-GFCCVEGCSA-N 0 3 328.368 2.800 20 10 EFCDHN COc1ccccc1CNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000879648724 1292218447 /nfs/dbraw/zinc/21/84/47/1292218447.db2.gz AUUFCQZLDDEGIZ-ZIAGYGMSSA-N 0 3 328.412 2.756 20 10 EFCDHN CC(C)Cc1nnc(NC(=O)CN[C@H](C)c2ccccc2O)s1 ZINC000879649399 1292218727 /nfs/dbraw/zinc/21/87/27/1292218727.db2.gz QPQYQPORVMSOPP-LLVKDONJSA-N 0 3 334.445 2.732 20 10 EFCDHN CC(C)Cc1nnc(NC(=O)C[NH2+][C@H](C)c2ccccc2[O-])s1 ZINC000879649399 1292218731 /nfs/dbraw/zinc/21/87/31/1292218731.db2.gz QPQYQPORVMSOPP-LLVKDONJSA-N 0 3 334.445 2.732 20 10 EFCDHN COc1ccc(NC(=O)C[NH2+][C@H](C)c2ccccc2[O-])cc1OC ZINC000879648525 1292218770 /nfs/dbraw/zinc/21/87/70/1292218770.db2.gz SGVSMQQOSYAOMP-GFCCVEGCSA-N 0 3 330.384 2.699 20 10 EFCDHN Cc1cccc(OCCNC(=O)[C@H](C)[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000879648925 1292218812 /nfs/dbraw/zinc/21/88/12/1292218812.db2.gz GLDJPNOYZORGIN-CVEARBPZSA-N 0 3 342.439 2.935 20 10 EFCDHN COc1cccc(CN(C)C(=O)C[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000879648876 1292218928 /nfs/dbraw/zinc/21/89/28/1292218928.db2.gz FOIIOTPGOCAGLO-CQSZACIVSA-N 0 3 328.412 2.710 20 10 EFCDHN CC(=O)c1cccc(OC[C@@H](O)C[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000879649979 1292219777 /nfs/dbraw/zinc/21/97/77/1292219777.db2.gz WIVWAWLCASNIPW-CJNGLKHVSA-N 0 3 329.396 2.685 20 10 EFCDHN CC[C@H]([NH2+]CC(=O)Nc1ccc2c(c1)OCCO2)c1ccccc1[O-] ZINC000775414021 1292322973 /nfs/dbraw/zinc/32/29/73/1292322973.db2.gz KQWXKQQEVCADOF-HNNXBMFYSA-N 0 3 342.395 2.843 20 10 EFCDHN COCC[N@H+](Cc1ccc(C(F)(F)F)cc1[O-])C1CCN(C)CC1 ZINC001233454362 1312935020 /nfs/dbraw/zinc/93/50/20/1312935020.db2.gz RVOUXAMVNVUYOR-UHFFFAOYSA-N 0 3 346.393 2.954 20 10 EFCDHN COCC[N@@H+](Cc1ccc(C(F)(F)F)cc1[O-])C1CCN(C)CC1 ZINC001233454362 1312935025 /nfs/dbraw/zinc/93/50/25/1312935025.db2.gz RVOUXAMVNVUYOR-UHFFFAOYSA-N 0 3 346.393 2.954 20 10 EFCDHN Oc1cc(C(F)(F)F)ccc1CN1CCN(C[C@H]2CCCO2)CC1 ZINC001233454262 1312935467 /nfs/dbraw/zinc/93/54/67/1312935467.db2.gz NTZFZBKFRWNXQF-OAHLLOKOSA-N 0 3 344.377 2.708 20 10 EFCDHN COc1cccc(O[C@@H]2CCCN(Cc3cc(O)c(O)cc3O)C2)c1 ZINC001233484916 1312939579 /nfs/dbraw/zinc/93/95/79/1312939579.db2.gz CFDBJAILHAKTHI-MRXNPFEDSA-N 0 3 345.395 2.855 20 10 EFCDHN COc1ccccc1O[C@@H]1CCCN(Cc2cc(O)c(O)cc2O)C1 ZINC001233485143 1312939691 /nfs/dbraw/zinc/93/96/91/1312939691.db2.gz KMMKUGFDZCLTSR-CQSZACIVSA-N 0 3 345.395 2.855 20 10 EFCDHN Cc1ccc(C2(O)CCN(Cc3cc(O)c(O)cc3O)CC2)cc1 ZINC001233482278 1312939851 /nfs/dbraw/zinc/93/98/51/1312939851.db2.gz HXERLQBGRFGARV-UHFFFAOYSA-N 0 3 329.396 2.595 20 10 EFCDHN COC(=O)c1cccc([C@@H]2CCCN2Cc2cc(O)c(O)cc2O)c1 ZINC001233487496 1312941461 /nfs/dbraw/zinc/94/14/61/1312941461.db2.gz GBZAMAHJISOERA-HNNXBMFYSA-N 0 3 343.379 2.927 20 10 EFCDHN CC(C)NC(=O)CNCc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796256959 1292650594 /nfs/dbraw/zinc/65/05/94/1292650594.db2.gz KOPCAXBIZIWDCR-UHFFFAOYSA-N 0 3 337.467 2.864 20 10 EFCDHN CCNC(=O)[C@@H](C)NCc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796256931 1292650673 /nfs/dbraw/zinc/65/06/73/1292650673.db2.gz JWNCKDAYRONKFD-MRXNPFEDSA-N 0 3 337.467 2.864 20 10 EFCDHN CC[C@@H]([NH2+]CCNS(=O)(=O)Cc1ccccc1)c1ccccc1[O-] ZINC000775490820 1292702916 /nfs/dbraw/zinc/70/29/16/1292702916.db2.gz DOKMJYWSGCFSNI-QGZVFWFLSA-N 0 3 348.468 2.553 20 10 EFCDHN [O-]c1ccccc1C[NH+]1CCC2(CC1)CN(c1ccccn1)CCO2 ZINC001203552614 1312953925 /nfs/dbraw/zinc/95/39/25/1312953925.db2.gz OXCNQYLSLXNGQN-UHFFFAOYSA-N 0 3 339.439 2.659 20 10 EFCDHN Cc1cccc(CN2C[C@@H]3C[N@H+](Cc4ccccc4[O-])C[C@@H]3C2=O)c1 ZINC001203552105 1312954099 /nfs/dbraw/zinc/95/40/99/1312954099.db2.gz APUKRGGIWMSUSW-OALUTQOASA-N 0 3 336.435 2.791 20 10 EFCDHN Cc1cccc(CN2C[C@@H]3C[N@@H+](Cc4ccccc4[O-])C[C@@H]3C2=O)c1 ZINC001203552105 1312954101 /nfs/dbraw/zinc/95/41/01/1312954101.db2.gz APUKRGGIWMSUSW-OALUTQOASA-N 0 3 336.435 2.791 20 10 EFCDHN C[C@@H]1C[N@H+](Cc2ccccc2[O-])C[C@]12CCN(c1cccnc1)C2=O ZINC001203551935 1312954257 /nfs/dbraw/zinc/95/42/57/1312954257.db2.gz UDXAJCBCAZORMY-FOIQADDNSA-N 0 3 337.423 2.662 20 10 EFCDHN C[C@@H]1C[N@@H+](Cc2ccccc2[O-])C[C@]12CCN(c1cccnc1)C2=O ZINC001203551935 1312954261 /nfs/dbraw/zinc/95/42/61/1312954261.db2.gz UDXAJCBCAZORMY-FOIQADDNSA-N 0 3 337.423 2.662 20 10 EFCDHN O=C1Nc2ncccc2C2(CC[NH+](Cc3ccccc3[O-])CC2)O1 ZINC001203557019 1312955715 /nfs/dbraw/zinc/95/57/15/1312955715.db2.gz YDHJMWJKLXIJBY-UHFFFAOYSA-N 0 3 325.368 2.841 20 10 EFCDHN NC(=O)c1ccc(OC2CC[NH+](Cc3ccccc3[O-])CC2)cc1 ZINC001203558528 1312956020 /nfs/dbraw/zinc/95/60/20/1312956020.db2.gz LWRMNTIIWKBESY-UHFFFAOYSA-N 0 3 326.396 2.535 20 10 EFCDHN CCC[C@@H](N)c1cn(Cc2ccc(N3CCC(OC)CC3)cc2)nn1 ZINC000881379839 1292866016 /nfs/dbraw/zinc/86/60/16/1292866016.db2.gz AGSATTWGKVOMHK-GOSISDBHSA-N 0 3 343.475 2.742 20 10 EFCDHN COc1cccc(CN2CC(CN(C)C(=O)OC(C)(C)C)C2)c1O ZINC001203590236 1312965006 /nfs/dbraw/zinc/96/50/06/1312965006.db2.gz VCJNVWGRMJBKNC-UHFFFAOYSA-N 0 3 336.432 2.700 20 10 EFCDHN COc1cccc(CN2CCC[C@H](Oc3ncccc3OC)C2)c1O ZINC001203601880 1312967828 /nfs/dbraw/zinc/96/78/28/1312967828.db2.gz PKWKCPLZBAYMHQ-HNNXBMFYSA-N 0 3 344.411 2.848 20 10 EFCDHN CCOc1cccc(CN2CC[C@@](O)(C(F)(F)F)[C@@H](C)C2)c1O ZINC001203602394 1312967860 /nfs/dbraw/zinc/96/78/60/1312967860.db2.gz UEBWOMMTQFKABY-NHYWBVRUSA-N 0 3 333.350 2.926 20 10 EFCDHN CCOc1cccc(CN2CCC[C@@H](Oc3nccc(C)n3)C2)c1O ZINC001203617872 1312972627 /nfs/dbraw/zinc/97/26/27/1312972627.db2.gz WKCBXHSLEMLEHE-MRXNPFEDSA-N 0 3 343.427 2.933 20 10 EFCDHN COc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CN3C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001203622174 1312973196 /nfs/dbraw/zinc/97/31/96/1312973196.db2.gz RSNMFTQSLZBFCO-GDBMZVCRSA-N 0 3 348.443 2.842 20 10 EFCDHN COc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CN3C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001203622174 1312973197 /nfs/dbraw/zinc/97/31/97/1312973197.db2.gz RSNMFTQSLZBFCO-GDBMZVCRSA-N 0 3 348.443 2.842 20 10 EFCDHN COc1ccc(C[N@@H+]2CC[C@H]3O[C@@H](c4nc(C)no4)CC[C@H]32)c([O-])c1 ZINC001203621371 1312973219 /nfs/dbraw/zinc/97/32/19/1312973219.db2.gz BXKSUFJWUOWMOY-DJIMGWMZSA-N 0 3 345.399 2.587 20 10 EFCDHN COc1ccc(C[N@H+]2CC[C@H]3O[C@@H](c4nc(C)no4)CC[C@H]32)c([O-])c1 ZINC001203621371 1312973222 /nfs/dbraw/zinc/97/32/22/1312973222.db2.gz BXKSUFJWUOWMOY-DJIMGWMZSA-N 0 3 345.399 2.587 20 10 EFCDHN COc1ccc(CC[N@@H+](Cc2ccc(OC)cc2[O-])C[C@H](C)O)cc1 ZINC001203621284 1312973361 /nfs/dbraw/zinc/97/33/61/1312973361.db2.gz RHENOMAHDKJYOZ-HNNXBMFYSA-N 0 3 345.439 2.835 20 10 EFCDHN COc1ccc(CC[N@H+](Cc2ccc(OC)cc2[O-])C[C@H](C)O)cc1 ZINC001203621284 1312973363 /nfs/dbraw/zinc/97/33/63/1312973363.db2.gz RHENOMAHDKJYOZ-HNNXBMFYSA-N 0 3 345.439 2.835 20 10 EFCDHN COc1ccc(CN2CC[C@H]3CN(C(=O)OC(C)(C)C)[C@H]3C2)c(O)c1 ZINC001203621625 1312973529 /nfs/dbraw/zinc/97/35/29/1312973529.db2.gz FFZYRVIBZPIVPI-BBRMVZONSA-N 0 3 348.443 2.842 20 10 EFCDHN COc1ccc(C[N@@H+]2CC[C@H]3[C@H]2CCN3Cc2cccnc2)c([O-])c1 ZINC001203623191 1312973764 /nfs/dbraw/zinc/97/37/64/1312973764.db2.gz LYULOWJIRRUJLC-RBUKOAKNSA-N 0 3 339.439 2.645 20 10 EFCDHN COc1ccc(C[N@H+]2CC[C@H]3[C@H]2CCN3Cc2cccnc2)c([O-])c1 ZINC001203623191 1312973768 /nfs/dbraw/zinc/97/37/68/1312973768.db2.gz LYULOWJIRRUJLC-RBUKOAKNSA-N 0 3 339.439 2.645 20 10 EFCDHN COc1ccc(C[NH+]2CC(CCNC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001203629260 1312975741 /nfs/dbraw/zinc/97/57/41/1312975741.db2.gz UTJKSPZUMIGLIZ-UHFFFAOYSA-N 0 3 336.432 2.747 20 10 EFCDHN COc1ccc(C[NH+]2CCC(Oc3ncncc3C)CC2)c([O-])c1 ZINC001203635167 1312977412 /nfs/dbraw/zinc/97/74/12/1312977412.db2.gz MNLWILJRUHBIKA-UHFFFAOYSA-N 0 3 329.400 2.543 20 10 EFCDHN COC(=O)[C@@H]1CN(Cc2ccc(OC)cc2O)Cc2ccccc21 ZINC001203634814 1312977608 /nfs/dbraw/zinc/97/76/08/1312977608.db2.gz WSPOUUCVXYYTRR-QGZVFWFLSA-N 0 3 327.380 2.673 20 10 EFCDHN COc1ccc(C[N@@H+]2CCC[C@@H](Oc3ncccc3OC)C2)c([O-])c1 ZINC001203634962 1312977749 /nfs/dbraw/zinc/97/77/49/1312977749.db2.gz CTEWMEMOIDVJPM-MRXNPFEDSA-N 0 3 344.411 2.848 20 10 EFCDHN COc1ccc(C[N@H+]2CCC[C@@H](Oc3ncccc3OC)C2)c([O-])c1 ZINC001203634962 1312977753 /nfs/dbraw/zinc/97/77/53/1312977753.db2.gz CTEWMEMOIDVJPM-MRXNPFEDSA-N 0 3 344.411 2.848 20 10 EFCDHN C[N@H+](C1CC1)[C@@H]1CCN(Cc2cc(Br)ccc2[O-])C1 ZINC001203650376 1312980226 /nfs/dbraw/zinc/98/02/26/1312980226.db2.gz QLFAQUSLKTZVKT-CQSZACIVSA-N 0 3 325.250 2.823 20 10 EFCDHN C[N@@H+](C1CC1)[C@@H]1CCN(Cc2cc(Br)ccc2[O-])C1 ZINC001203650376 1312980230 /nfs/dbraw/zinc/98/02/30/1312980230.db2.gz QLFAQUSLKTZVKT-CQSZACIVSA-N 0 3 325.250 2.823 20 10 EFCDHN COc1ccc(O)c(CN2CC[C@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)c1 ZINC001203670034 1312985380 /nfs/dbraw/zinc/98/53/80/1312985380.db2.gz KPNLFDXOTILVGZ-HOTGVXAUSA-N 0 3 348.443 2.985 20 10 EFCDHN COc1ccc(O)c(CN2CCC[C@@H](Oc3ncccc3OC)C2)c1 ZINC001203681468 1312989036 /nfs/dbraw/zinc/98/90/36/1312989036.db2.gz YNCKAGBHTBWDBI-MRXNPFEDSA-N 0 3 344.411 2.848 20 10 EFCDHN COc1ccc(O)c(CN2CC[C@H](N3Cc4ccccc4C3=O)C2)c1 ZINC001203680807 1312989289 /nfs/dbraw/zinc/98/92/89/1312989289.db2.gz FDTLYNPJWLEEDE-INIZCTEOSA-N 0 3 338.407 2.631 20 10 EFCDHN COc1ccc(OC2CCN(Cc3cc(OC)ccc3O)CC2)nc1 ZINC001203683834 1312989632 /nfs/dbraw/zinc/98/96/32/1312989632.db2.gz FLGKFLZDNKYOMC-UHFFFAOYSA-N 0 3 344.411 2.848 20 10 EFCDHN COc1ccc(O)c(CN2CCC[C@H](Oc3ncncc3C)C2)c1 ZINC001203684018 1312989671 /nfs/dbraw/zinc/98/96/71/1312989671.db2.gz JRYAUEHCHSHNRS-INIZCTEOSA-N 0 3 329.400 2.543 20 10 EFCDHN COc1cc(Br)cc(C[NH2+]C2(C)CCOCC2)c1[O-] ZINC000131108305 1293481562 /nfs/dbraw/zinc/48/15/62/1293481562.db2.gz COBPNPAUKNBPHL-UHFFFAOYSA-N 0 3 330.222 2.822 20 10 EFCDHN CN(C)c1ccc(CNCc2ccc(N3CCNC3=O)cc2)cc1F ZINC000883281787 1293530492 /nfs/dbraw/zinc/53/04/92/1293530492.db2.gz YLDYCOVMYVNJQS-UHFFFAOYSA-N 0 3 342.418 2.711 20 10 EFCDHN CCN(Cc1ccc(O)c(O)c1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001203880467 1313040048 /nfs/dbraw/zinc/04/00/48/1313040048.db2.gz SRZCFHGQVOFASS-CQSZACIVSA-N 0 3 336.432 2.929 20 10 EFCDHN CC(C)(C)OC(=O)N1CC2(C1)CCN(Cc1ccc(O)c(O)c1)CC2 ZINC001203875099 1313038450 /nfs/dbraw/zinc/03/84/50/1313038450.db2.gz HGCPYIFNHSSVHC-UHFFFAOYSA-N 0 3 348.443 2.931 20 10 EFCDHN Oc1ccc(CN2CCc3ncnc(-c4ccoc4)c3CC2)cc1O ZINC001203876371 1313039041 /nfs/dbraw/zinc/03/90/41/1313039041.db2.gz BZCISTKIXDWVMJ-UHFFFAOYSA-N 0 3 337.379 2.749 20 10 EFCDHN CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(Cc3ccc(O)c(O)c3)C[C@H]12 ZINC001203883641 1313040773 /nfs/dbraw/zinc/04/07/73/1313040773.db2.gz LDXROIWQYJCUAU-QLFBSQMISA-N 0 3 348.443 2.833 20 10 EFCDHN CCN(CC)C(=O)NC1CCN(Cc2ccc(N(C)C)cc2)CC1 ZINC001203936261 1313051256 /nfs/dbraw/zinc/05/12/56/1313051256.db2.gz FVEVXXUHJKCICM-UHFFFAOYSA-N 0 3 332.492 2.768 20 10 EFCDHN COc1ccnc(OC2CCN(Cc3ccc(N(C)C)cc3)CC2)n1 ZINC001203936823 1313051341 /nfs/dbraw/zinc/05/13/41/1313051341.db2.gz ONSAQQBXQDUEAK-UHFFFAOYSA-N 0 3 342.443 2.595 20 10 EFCDHN COc1cc(C)nc(O[C@@H]2CCN(Cc3ccc(N(C)C)cc3)C2)n1 ZINC001203936832 1313051868 /nfs/dbraw/zinc/05/18/68/1313051868.db2.gz OXIHDSUMJNUFJL-QGZVFWFLSA-N 0 3 342.443 2.513 20 10 EFCDHN CN(C)c1ccc(CN2CCC(NC(=O)c3cccnc3)CC2)cc1 ZINC001203936631 1313051993 /nfs/dbraw/zinc/05/19/93/1313051993.db2.gz ILWCANYSSHTTDM-UHFFFAOYSA-N 0 3 338.455 2.542 20 10 EFCDHN CN(C)c1ccc(CN2C[C@H]3CN(C(=O)OC(C)(C)C)[C@@H]3C2)cc1 ZINC001203936653 1313052005 /nfs/dbraw/zinc/05/20/05/1313052005.db2.gz IYSWFAPKULONLT-DOTOQJQBSA-N 0 3 331.460 2.804 20 10 EFCDHN C[C@H]1CCNC(=O)[C@@H]1NCc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796375581 1294591011 /nfs/dbraw/zinc/59/10/11/1294591011.db2.gz LYDNKGXOAOAZRK-HRAATJIYSA-N 0 3 349.478 2.864 20 10 EFCDHN COCCN1CCN(Cc2ccc(N(C)C)c3ccccc23)CC1 ZINC001204236334 1313106148 /nfs/dbraw/zinc/10/61/48/1313106148.db2.gz UGKRKZLMOKPXLZ-UHFFFAOYSA-N 0 3 327.472 2.670 20 10 EFCDHN NC(=O)C1CCN(c2ccc(CNCc3cccc(F)c3)cc2)CC1 ZINC000886325649 1294856101 /nfs/dbraw/zinc/85/61/01/1294856101.db2.gz MUOLCLPVXVZDIJ-UHFFFAOYSA-N 0 3 341.430 2.817 20 10 EFCDHN [O-]c1cc(O)ccc1C[NH+]1CCC2(C[C@@H](OCC3CC3)CO2)CC1 ZINC001204272483 1313112501 /nfs/dbraw/zinc/11/25/01/1313112501.db2.gz BEDPQOKZCXMZPX-QGZVFWFLSA-N 0 3 333.428 2.648 20 10 EFCDHN [O-]c1cc(O)ccc1C[N@@H+]1CCc2ncnc(-c3ccoc3)c2CC1 ZINC001204274197 1313113278 /nfs/dbraw/zinc/11/32/78/1313113278.db2.gz LFEIBNNBWVSBID-UHFFFAOYSA-N 0 3 337.379 2.749 20 10 EFCDHN [O-]c1cc(O)ccc1C[N@H+]1CCc2ncnc(-c3ccoc3)c2CC1 ZINC001204274197 1313113281 /nfs/dbraw/zinc/11/32/81/1313113281.db2.gz LFEIBNNBWVSBID-UHFFFAOYSA-N 0 3 337.379 2.749 20 10 EFCDHN O=C1N(c2ccsc2)CC[C@@]12CC[N@@H+](Cc1ccc(O)cc1[O-])C2 ZINC001204273725 1313113528 /nfs/dbraw/zinc/11/35/28/1313113528.db2.gz SRTISWBPHLJFOY-GOSISDBHSA-N 0 3 344.436 2.788 20 10 EFCDHN O=C1N(c2ccsc2)CC[C@@]12CC[N@H+](Cc1ccc(O)cc1[O-])C2 ZINC001204273725 1313113531 /nfs/dbraw/zinc/11/35/31/1313113531.db2.gz SRTISWBPHLJFOY-GOSISDBHSA-N 0 3 344.436 2.788 20 10 EFCDHN C[C@H]1CN(C(=O)OC(C)(C)C)CCCN1Cc1ccc(O)cc1O ZINC001204276801 1313114186 /nfs/dbraw/zinc/11/41/86/1313114186.db2.gz RSLXOMDJQNIJPU-ZDUSSCGKSA-N 0 3 336.432 2.929 20 10 EFCDHN C[N@H+](Cc1ccc(O)cc1[O-])[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001204275868 1313114338 /nfs/dbraw/zinc/11/43/38/1313114338.db2.gz DCBPVXKMZIZKAP-CQSZACIVSA-N 0 3 336.432 2.929 20 10 EFCDHN C[N@@H+](Cc1ccc(O)cc1[O-])[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001204275868 1313114339 /nfs/dbraw/zinc/11/43/39/1313114339.db2.gz DCBPVXKMZIZKAP-CQSZACIVSA-N 0 3 336.432 2.929 20 10 EFCDHN CCOC(=O)[C@H]1C[N@H+](Cc2ccc(O)cc2[O-])C[C@H]2CCCC[C@@H]12 ZINC001204277013 1313114472 /nfs/dbraw/zinc/11/44/72/1313114472.db2.gz VWDQYTHENAYNBD-XYPHTWIQSA-N 0 3 333.428 2.899 20 10 EFCDHN CCOC(=O)[C@H]1C[N@@H+](Cc2ccc(O)cc2[O-])C[C@H]2CCCC[C@@H]12 ZINC001204277013 1313114474 /nfs/dbraw/zinc/11/44/74/1313114474.db2.gz VWDQYTHENAYNBD-XYPHTWIQSA-N 0 3 333.428 2.899 20 10 EFCDHN CC(C)(C)OC(=O)N[C@H]1CCC[N@H+](Cc2ccc(O)cc2[O-])CC1 ZINC001204277828 1313115080 /nfs/dbraw/zinc/11/50/80/1313115080.db2.gz BTJFVWSEZVLCKU-AWEZNQCLSA-N 0 3 336.432 2.977 20 10 EFCDHN CC(C)(C)OC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(O)cc2[O-])CC1 ZINC001204277828 1313115082 /nfs/dbraw/zinc/11/50/82/1313115082.db2.gz BTJFVWSEZVLCKU-AWEZNQCLSA-N 0 3 336.432 2.977 20 10 EFCDHN COc1cccc(O[C@H]2CCC[N@H+](Cc3ccc(O)cc3[O-])C2)n1 ZINC001204278253 1313115595 /nfs/dbraw/zinc/11/55/95/1313115595.db2.gz ZXJRMYNXKGMZBP-HNNXBMFYSA-N 0 3 330.384 2.545 20 10 EFCDHN COc1cccc(O[C@H]2CCC[N@@H+](Cc3ccc(O)cc3[O-])C2)n1 ZINC001204278253 1313115598 /nfs/dbraw/zinc/11/55/98/1313115598.db2.gz ZXJRMYNXKGMZBP-HNNXBMFYSA-N 0 3 330.384 2.545 20 10 EFCDHN C[C@H](NCC(=O)NCc1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000775835412 1294964939 /nfs/dbraw/zinc/96/49/39/1294964939.db2.gz YJXUAHROFRKXJK-AWEZNQCLSA-N 0 3 329.419 2.859 20 10 EFCDHN COC(=O)[C@H]1CC[N@H+](Cc2ccc(O)cc2[O-])[C@H]1c1ccccc1 ZINC001204281776 1313116018 /nfs/dbraw/zinc/11/60/18/1313116018.db2.gz IXYYTTDARDNYLD-WMZOPIPTSA-N 0 3 327.380 2.834 20 10 EFCDHN COC(=O)[C@H]1CC[N@@H+](Cc2ccc(O)cc2[O-])[C@H]1c1ccccc1 ZINC001204281776 1313116021 /nfs/dbraw/zinc/11/60/21/1313116021.db2.gz IXYYTTDARDNYLD-WMZOPIPTSA-N 0 3 327.380 2.834 20 10 EFCDHN C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CN(Cc2ccc(O)cc2O)C1 ZINC001204281133 1313116586 /nfs/dbraw/zinc/11/65/86/1313116586.db2.gz RESVLSSIPRTUIA-OCCSQVGLSA-N 0 3 336.432 2.833 20 10 EFCDHN CCOC(=O)[C@@H]1CCN(Cc2ccc(N3CCCC3)cc2)CCC1=O ZINC001204327254 1313123610 /nfs/dbraw/zinc/12/36/10/1313123610.db2.gz NIDGSTLNSIBIMN-GOSISDBHSA-N 0 3 344.455 2.631 20 10 EFCDHN CCOC(=O)C1=C(O)CCN(Cc2ccc(N3CCCC3)cc2)CC1 ZINC001204327254 1313123613 /nfs/dbraw/zinc/12/36/13/1313123613.db2.gz NIDGSTLNSIBIMN-GOSISDBHSA-N 0 3 344.455 2.631 20 10 EFCDHN Fc1cnc(O[C@H]2CCN(Cc3ccc(N4CCCC4)cc3)C2)nc1 ZINC001204329693 1313123927 /nfs/dbraw/zinc/12/39/27/1313123927.db2.gz WDGMKFLNMBIERX-SFHVURJKSA-N 0 3 342.418 2.869 20 10 EFCDHN COc1cc(Br)cc(CN2CCC3(COC3)CC2)c1O ZINC001204336741 1313125278 /nfs/dbraw/zinc/12/52/78/1313125278.db2.gz WEDNNPGFHKXKAB-UHFFFAOYSA-N 0 3 342.233 2.776 20 10 EFCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCCN(C(C)=O)CC3)c2c1 ZINC001234518860 1313144080 /nfs/dbraw/zinc/14/40/80/1313144080.db2.gz PFBMYWAMIQQXPM-UHFFFAOYSA-N 0 3 328.412 2.608 20 10 EFCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCCN(C(C)=O)CC3)c2c1 ZINC001234518860 1313144082 /nfs/dbraw/zinc/14/40/82/1313144082.db2.gz PFBMYWAMIQQXPM-UHFFFAOYSA-N 0 3 328.412 2.608 20 10 EFCDHN COc1ccc2ccc(O)c(CN3CCO[C@@H]4C[C@@H](CO)C[C@@H]43)c2c1 ZINC001234526371 1313145954 /nfs/dbraw/zinc/14/59/54/1313145954.db2.gz UWQDRVBKNGTNEC-YHJVDBJQSA-N 0 3 343.423 2.526 20 10 EFCDHN COc1ccc2ccc(O)c(CN3CCO[C@@H]4C[C@@H](CO)C[C@H]43)c2c1 ZINC001234526369 1313146041 /nfs/dbraw/zinc/14/60/41/1313146041.db2.gz UWQDRVBKNGTNEC-CYFNAFFESA-N 0 3 343.423 2.526 20 10 EFCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCC[C@@H](n4cncn4)C3)c2c1 ZINC001234552588 1313155150 /nfs/dbraw/zinc/15/51/50/1313155150.db2.gz AYGYXDBPGSEFNX-OAHLLOKOSA-N 0 3 338.411 2.983 20 10 EFCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCC[C@@H](n4cncn4)C3)c2c1 ZINC001234552588 1313155152 /nfs/dbraw/zinc/15/51/52/1313155152.db2.gz AYGYXDBPGSEFNX-OAHLLOKOSA-N 0 3 338.411 2.983 20 10 EFCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCC[C@H](n4cncn4)C3)c2c1 ZINC001234552587 1313155185 /nfs/dbraw/zinc/15/51/85/1313155185.db2.gz AYGYXDBPGSEFNX-HNNXBMFYSA-N 0 3 338.411 2.983 20 10 EFCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCC[C@H](n4cncn4)C3)c2c1 ZINC001234552587 1313155189 /nfs/dbraw/zinc/15/51/89/1313155189.db2.gz AYGYXDBPGSEFNX-HNNXBMFYSA-N 0 3 338.411 2.983 20 10 EFCDHN CCCCOC(=O)[C@H](C)Oc1ccc(N2CCN(CC)CC2)cc1 ZINC001234657577 1313179009 /nfs/dbraw/zinc/17/90/09/1313179009.db2.gz FFDWDJVFRLUEFI-INIZCTEOSA-N 0 3 334.460 2.939 20 10 EFCDHN CCN1CCN(c2ccc(O[C@@H](C)CO[C@H](C)COC)cc2)CC1 ZINC001234661578 1313179735 /nfs/dbraw/zinc/17/97/35/1313179735.db2.gz VDHWBJXUCKQAMX-SJORKVTESA-N 0 3 336.476 2.647 20 10 EFCDHN CCN1CCN(c2ccc(O[C@@H](C)CO[C@@H](C)COC)cc2)CC1 ZINC001234661576 1313179851 /nfs/dbraw/zinc/17/98/51/1313179851.db2.gz VDHWBJXUCKQAMX-IRXDYDNUSA-N 0 3 336.476 2.647 20 10 EFCDHN CC(C)(C)c1cc([O-])c(CN2CCO[C@H](CC[NH3+])C2)cc1Cl ZINC001204757539 1313191612 /nfs/dbraw/zinc/19/16/12/1313191612.db2.gz ZKJQXIUNDFLSHA-CYBMUJFWSA-N 0 3 326.868 2.893 20 10 EFCDHN CCCCN1C(=O)C[C@]2(CCC[N@H+](Cc3c(C)cccc3[O-])C2)C1=O ZINC001274301564 1296055644 /nfs/dbraw/zinc/05/56/44/1296055644.db2.gz QVHLBFATTVZPCQ-FQEVSTJZSA-N 0 3 344.455 2.842 20 10 EFCDHN CCCCN1C(=O)C[C@]2(CCC[N@@H+](Cc3c(C)cccc3[O-])C2)C1=O ZINC001274301564 1296055651 /nfs/dbraw/zinc/05/56/51/1296055651.db2.gz QVHLBFATTVZPCQ-FQEVSTJZSA-N 0 3 344.455 2.842 20 10 EFCDHN [O-]c1c(C[NH+]2CCN([C@@H]3CCOC3)CC2)cccc1-c1ccccc1 ZINC001234990321 1313217895 /nfs/dbraw/zinc/21/78/95/1313217895.db2.gz GDJCQIIUCBJGRC-LJQANCHMSA-N 0 3 338.451 2.966 20 10 EFCDHN CN1C(=O)C[C@@]2(CCC[N@H+](Cc3cc4ccccc4cc3[O-])C2)C1=O ZINC001274666135 1296134396 /nfs/dbraw/zinc/13/43/96/1296134396.db2.gz XLZHXXNUHTYMAY-HXUWFJFHSA-N 0 3 338.407 2.516 20 10 EFCDHN CN1C(=O)C[C@@]2(CCC[N@@H+](Cc3cc4ccccc4cc3[O-])C2)C1=O ZINC001274666135 1296134403 /nfs/dbraw/zinc/13/44/03/1296134403.db2.gz XLZHXXNUHTYMAY-HXUWFJFHSA-N 0 3 338.407 2.516 20 10 EFCDHN Oc1c(CN2CCN(c3ncncn3)CC2)cccc1-c1ccccc1 ZINC001234998922 1313219721 /nfs/dbraw/zinc/21/97/21/1313219721.db2.gz PSSNJEGXJJZHHC-UHFFFAOYSA-N 0 3 347.422 2.566 20 10 EFCDHN CCn1ccnc1CN1CC2(C1)CC[NH+](Cc1ccccc1[O-])CC2 ZINC001275266972 1296246222 /nfs/dbraw/zinc/24/62/22/1296246222.db2.gz HLSVVMWTJRSTIU-UHFFFAOYSA-N 0 3 340.471 2.707 20 10 EFCDHN O=C(Nc1cccnc1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3[O-])[C@@H]2C1 ZINC001275267425 1296246727 /nfs/dbraw/zinc/24/67/27/1296246727.db2.gz ODLKOHREEGIXLD-WMLDXEAASA-N 0 3 338.411 2.525 20 10 EFCDHN O=C(Nc1cccnc1)N1C[C@@H]2CC[N@H+](Cc3ccccc3[O-])[C@@H]2C1 ZINC001275267425 1296246734 /nfs/dbraw/zinc/24/67/34/1296246734.db2.gz ODLKOHREEGIXLD-WMLDXEAASA-N 0 3 338.411 2.525 20 10 EFCDHN Cc1cc(CN2C[C@H]3CCC[NH2+][C@H]3C2)c([O-])cc1Br ZINC001235215583 1313266045 /nfs/dbraw/zinc/26/60/45/1313266045.db2.gz PBWBDDMQUQAKSR-RISCZKNCSA-N 0 3 325.250 2.647 20 10 EFCDHN CCOc1ccc(C[NH2+][C@H]2COc3c(cccc3OC)C2)c([O-])c1 ZINC000776173115 1296811875 /nfs/dbraw/zinc/81/18/75/1296811875.db2.gz YUMCMCOTFPFJLY-OAHLLOKOSA-N 0 3 329.396 2.893 20 10 EFCDHN CC(C)(C)c1ccc(C[N@@H+]2C[C@H]3CN(CC4CC4)C(=O)[C@H]3C2)c([O-])c1 ZINC001235682838 1313374454 /nfs/dbraw/zinc/37/44/54/1313374454.db2.gz QPELIOFHKCENQP-WMZOPIPTSA-N 0 3 342.483 2.990 20 10 EFCDHN CC(C)(C)c1ccc(C[N@H+]2C[C@H]3CN(CC4CC4)C(=O)[C@H]3C2)c([O-])c1 ZINC001235682838 1313374457 /nfs/dbraw/zinc/37/44/57/1313374457.db2.gz QPELIOFHKCENQP-WMZOPIPTSA-N 0 3 342.483 2.990 20 10 EFCDHN [O-]c1cccc(Br)c1CN(C1CC1)[C@@H]1CCC[NH2+]C1 ZINC001236241570 1313460084 /nfs/dbraw/zinc/46/00/84/1313460084.db2.gz SYKADNAIZQQEBR-GFCCVEGCSA-N 0 3 325.250 2.871 20 10 EFCDHN COc1cc(CN2CC[C@H](C)[C@@H](O)CC2)c(O)cc1Br ZINC001236746558 1313520740 /nfs/dbraw/zinc/52/07/40/1313520740.db2.gz DSMJSGRFBSGLAD-GWCFXTLKSA-N 0 3 344.249 2.756 20 10 EFCDHN COc1cc(CN2CCN(C)C(C)(C)C2)c(O)cc1Br ZINC001236757673 1313523061 /nfs/dbraw/zinc/52/30/61/1313523061.db2.gz WHIGXGWQHNJXNN-UHFFFAOYSA-N 0 3 343.265 2.689 20 10 EFCDHN COc1cc(CN2CC[C@H]3COC[C@@H]3C2)c(O)cc1Br ZINC001236756392 1313523268 /nfs/dbraw/zinc/52/32/68/1313523268.db2.gz JTCVSRRAKWXHML-JQWIXIFHSA-N 0 3 342.233 2.632 20 10 EFCDHN COc1cc(C[N@@H+]2CC[C@H]3COC[C@@H]3C2)c([O-])cc1Br ZINC001236756392 1313523270 /nfs/dbraw/zinc/52/32/70/1313523270.db2.gz JTCVSRRAKWXHML-JQWIXIFHSA-N 0 3 342.233 2.632 20 10 EFCDHN COc1cc(C[N@H+]2CC[C@H]3COC[C@@H]3C2)c([O-])cc1Br ZINC001236756392 1313523273 /nfs/dbraw/zinc/52/32/73/1313523273.db2.gz JTCVSRRAKWXHML-JQWIXIFHSA-N 0 3 342.233 2.632 20 10 EFCDHN COc1cc(CN2CC[C@@H]3OCC[C@H]3C2)c(O)cc1Br ZINC001236756076 1313523293 /nfs/dbraw/zinc/52/32/93/1313523293.db2.gz IJYCGBVKMGDLMU-HZMBPMFUSA-N 0 3 342.233 2.774 20 10 EFCDHN CC[N@H+](Cc1cc(O)c(Br)cc1[O-])C1CCOCC1 ZINC001236774393 1313525898 /nfs/dbraw/zinc/52/58/98/1313525898.db2.gz CBCQZKBVCLAQFY-UHFFFAOYSA-N 0 3 330.222 2.861 20 10 EFCDHN CC[N@@H+](Cc1cc(O)c(Br)cc1[O-])C1CCOCC1 ZINC001236774393 1313525902 /nfs/dbraw/zinc/52/59/02/1313525902.db2.gz CBCQZKBVCLAQFY-UHFFFAOYSA-N 0 3 330.222 2.861 20 10 EFCDHN COc1cc(C)c(CN2CCN(C)c3nc(C)ccc3C2)c(O)c1 ZINC001236806805 1313533515 /nfs/dbraw/zinc/53/35/15/1313533515.db2.gz ALIGMRCBWPTXOB-UHFFFAOYSA-N 0 3 327.428 2.865 20 10 EFCDHN CCc1ccc(C[NH+]2CCC(OCC(=O)N3CCCC3)CC2)c([O-])c1 ZINC001236787142 1313528672 /nfs/dbraw/zinc/52/86/72/1313528672.db2.gz GXHDVWNXELRPQC-UHFFFAOYSA-N 0 3 346.471 2.558 20 10 EFCDHN CCC1=NC2(CC[NH+](Cc3ccc(CC)cc3[O-])CC2)C(=O)N1C ZINC001236789345 1313529252 /nfs/dbraw/zinc/52/92/52/1313529252.db2.gz VTVHMPUNCOHLOG-UHFFFAOYSA-N 0 3 329.444 2.570 20 10 EFCDHN CCc1ccc(CN2CCN(c3cc(OC)ccn3)CC2)c(O)c1 ZINC001236789370 1313529584 /nfs/dbraw/zinc/52/95/84/1313529584.db2.gz VXZBSGPVOVYZRV-UHFFFAOYSA-N 0 3 327.428 2.680 20 10 EFCDHN COc1cc([O-])c(CN2CCN(c3cc[nH+]cc3)CC2)c(Cl)c1 ZINC001236802122 1313532482 /nfs/dbraw/zinc/53/24/82/1313532482.db2.gz FRKYMNBYDPSNBJ-UHFFFAOYSA-N 0 3 333.819 2.771 20 10 EFCDHN COc1cc(C)c(C[N@@H+]2CC[C@]3(C2)CCCCN3C(C)=O)c([O-])c1 ZINC001236812860 1313534669 /nfs/dbraw/zinc/53/46/69/1313534669.db2.gz FXGSUISCXYPUMG-IBGZPJMESA-N 0 3 332.444 2.686 20 10 EFCDHN COc1cc(C)c(C[N@H+]2CC[C@]3(C2)CCCCN3C(C)=O)c([O-])c1 ZINC001236812860 1313534672 /nfs/dbraw/zinc/53/46/72/1313534672.db2.gz FXGSUISCXYPUMG-IBGZPJMESA-N 0 3 332.444 2.686 20 10 EFCDHN COc1cc(C)c(C[N@@H+]2CC[C@H](Oc3ccnc(OC)c3)C2)c([O-])c1 ZINC001236816768 1313535602 /nfs/dbraw/zinc/53/56/02/1313535602.db2.gz WNKONUFBKUYHLT-HNNXBMFYSA-N 0 3 344.411 2.766 20 10 EFCDHN COc1cc(C)c(C[N@H+]2CC[C@H](Oc3ccnc(OC)c3)C2)c([O-])c1 ZINC001236816768 1313535605 /nfs/dbraw/zinc/53/56/05/1313535605.db2.gz WNKONUFBKUYHLT-HNNXBMFYSA-N 0 3 344.411 2.766 20 10 EFCDHN CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2c(C)cc(OC)cc2[O-])C1 ZINC001236817667 1313535893 /nfs/dbraw/zinc/53/58/93/1313535893.db2.gz GBEFFBDCRDYNAO-HNNXBMFYSA-N 0 3 334.460 2.790 20 10 EFCDHN CCN(CC)C(=O)[C@H]1CCC[N@@H+](Cc2c(C)cc(OC)cc2[O-])C1 ZINC001236817667 1313535896 /nfs/dbraw/zinc/53/58/96/1313535896.db2.gz GBEFFBDCRDYNAO-HNNXBMFYSA-N 0 3 334.460 2.790 20 10 EFCDHN COc1cc(C)c(C[N@@H+]2CCCN(c3ccccn3)CC2)c([O-])c1 ZINC001236817053 1313536050 /nfs/dbraw/zinc/53/60/50/1313536050.db2.gz CFGFCKWPBLWSGI-UHFFFAOYSA-N 0 3 327.428 2.817 20 10 EFCDHN COc1cc(C)c(C[N@H+]2CCCN(c3ccccn3)CC2)c([O-])c1 ZINC001236817053 1313536052 /nfs/dbraw/zinc/53/60/52/1313536052.db2.gz CFGFCKWPBLWSGI-UHFFFAOYSA-N 0 3 327.428 2.817 20 10 EFCDHN CC(C)(C)OC(=O)N1CCOc2cc([O-])c(C[NH+]3CC=CC3)cc2C1 ZINC001236842659 1313541237 /nfs/dbraw/zinc/54/12/37/1313541237.db2.gz FZEVHTZJSIIISF-UHFFFAOYSA-N 0 3 346.427 2.894 20 10 EFCDHN CC(C)(C)OC(=O)N1CCOc2cc(O)c(CN3CC=CC3)cc2C1 ZINC001236842659 1313541240 /nfs/dbraw/zinc/54/12/40/1313541240.db2.gz FZEVHTZJSIIISF-UHFFFAOYSA-N 0 3 346.427 2.894 20 10 EFCDHN CC1C[NH+](Cc2cc3c(cc2[O-])OCCN(C(=O)OC(C)(C)C)C3)C1 ZINC001236842829 1313541476 /nfs/dbraw/zinc/54/14/76/1313541476.db2.gz IYSOUWXSEWRSFQ-UHFFFAOYSA-N 0 3 348.443 2.973 20 10 EFCDHN C[C@H]1CN(Cc2ccc(N3CCOCC3)cc2Cl)CC[C@]1(C)O ZINC001236924043 1313554108 /nfs/dbraw/zinc/55/41/08/1313554108.db2.gz JROAHGGZUDVPQP-KSSFIOAISA-N 0 3 338.879 2.769 20 10 EFCDHN C[C@H](c1ccccc1)[N@H+](Cc1ccccc1[O-])CC1(CO)COC1 ZINC000305780262 1298828661 /nfs/dbraw/zinc/82/86/61/1298828661.db2.gz NZMDMHLQFOBDFB-MRXNPFEDSA-N 0 3 327.424 2.964 20 10 EFCDHN C[C@H](c1ccccc1)[N@@H+](Cc1ccccc1[O-])CC1(CO)COC1 ZINC000305780262 1298828674 /nfs/dbraw/zinc/82/86/74/1298828674.db2.gz NZMDMHLQFOBDFB-MRXNPFEDSA-N 0 3 327.424 2.964 20 10 EFCDHN C[C@]1(O)CCCN(Cc2ccc(N3CCOCC3)cc2Cl)CC1 ZINC001236930066 1313555747 /nfs/dbraw/zinc/55/57/47/1313555747.db2.gz WCPFFQWZOLCZRR-SFHVURJKSA-N 0 3 338.879 2.914 20 10 EFCDHN FC(F)(F)[C@@H]1CNCCN1Cc1cc2c3c(c1)CCCN3CCC2 ZINC001236976866 1313564780 /nfs/dbraw/zinc/56/47/80/1313564780.db2.gz QOWJKIDYRFNMQZ-INIZCTEOSA-N 0 3 339.405 2.722 20 10 EFCDHN Oc1c(CN2CCNC[C@@H]2C(F)(F)F)cccc1OC(F)(F)F ZINC001236982932 1313565765 /nfs/dbraw/zinc/56/57/65/1313565765.db2.gz SXQFTBBYEAIWBZ-SNVBAGLBSA-N 0 3 344.255 2.627 20 10 EFCDHN CCOc1ccc(C[N@@H+]2CC[C@]3(C2)CCCCN3C(C)=O)c([O-])c1 ZINC001237041411 1313574067 /nfs/dbraw/zinc/57/40/67/1313574067.db2.gz IKBRCQOKDHDUJX-IBGZPJMESA-N 0 3 332.444 2.768 20 10 EFCDHN CCOc1ccc(C[N@H+]2CC[C@]3(C2)CCCCN3C(C)=O)c([O-])c1 ZINC001237041411 1313574070 /nfs/dbraw/zinc/57/40/70/1313574070.db2.gz IKBRCQOKDHDUJX-IBGZPJMESA-N 0 3 332.444 2.768 20 10 EFCDHN CCOc1ccc(C[N@@H+]2CCC[C@H](Oc3nccnc3C)C2)c([O-])c1 ZINC001237047961 1313574845 /nfs/dbraw/zinc/57/48/45/1313574845.db2.gz ODMYEZPQFOGKBC-KRWDZBQOSA-N 0 3 343.427 2.933 20 10 EFCDHN CCOc1ccc(C[N@H+]2CCC[C@H](Oc3nccnc3C)C2)c([O-])c1 ZINC001237047961 1313574849 /nfs/dbraw/zinc/57/48/49/1313574849.db2.gz ODMYEZPQFOGKBC-KRWDZBQOSA-N 0 3 343.427 2.933 20 10 EFCDHN CCOc1ccc(C[N@@H+]2CC[C@@H](Oc3ncncc3C)C2)c([O-])c1 ZINC001237047346 1313575487 /nfs/dbraw/zinc/57/54/87/1313575487.db2.gz LJQPBWBSCSBDIW-MRXNPFEDSA-N 0 3 329.400 2.543 20 10 EFCDHN CCOc1ccc(C[N@H+]2CC[C@@H](Oc3ncncc3C)C2)c([O-])c1 ZINC001237047346 1313575490 /nfs/dbraw/zinc/57/54/90/1313575490.db2.gz LJQPBWBSCSBDIW-MRXNPFEDSA-N 0 3 329.400 2.543 20 10 EFCDHN CCOc1ccc(CN2C[C@@H]3CN(C(=O)OC(C)(C)C)[C@H]3C2)c(O)c1 ZINC001237047038 1313575510 /nfs/dbraw/zinc/57/55/10/1313575510.db2.gz QOZVLVVFOZGRLY-ZBFHGGJFSA-N 0 3 348.443 2.842 20 10 EFCDHN CCOc1ccc(C[N@@H+]2CCC[C@@H](Oc3ncc(C)cn3)C2)c([O-])c1 ZINC001237048878 1313575719 /nfs/dbraw/zinc/57/57/19/1313575719.db2.gz YYQBSHCJNRRSIM-QGZVFWFLSA-N 0 3 343.427 2.933 20 10 EFCDHN CCOc1ccc(C[N@H+]2CCC[C@@H](Oc3ncc(C)cn3)C2)c([O-])c1 ZINC001237048878 1313575721 /nfs/dbraw/zinc/57/57/21/1313575721.db2.gz YYQBSHCJNRRSIM-QGZVFWFLSA-N 0 3 343.427 2.933 20 10 EFCDHN CC(C)c1ccc(C[N@H+]2C[C@H]3CN(c4ncccn4)C[C@H]3C2)c([O-])c1 ZINC001237048745 1313575919 /nfs/dbraw/zinc/57/59/19/1313575919.db2.gz OUFRFWRKKSNWNX-HDICACEKSA-N 0 3 338.455 2.874 20 10 EFCDHN CC(C)c1ccc(C[N@@H+]2C[C@H]3CN(c4ncccn4)C[C@H]3C2)c([O-])c1 ZINC001237048745 1313575923 /nfs/dbraw/zinc/57/59/23/1313575923.db2.gz OUFRFWRKKSNWNX-HDICACEKSA-N 0 3 338.455 2.874 20 10 EFCDHN CCN(CCC[NH+](C)C)Cc1c([O-])cc(OC)cc1Br ZINC001237068950 1313581393 /nfs/dbraw/zinc/58/13/93/1313581393.db2.gz WJQUIXXDISOSCY-UHFFFAOYSA-N 0 3 345.281 2.937 20 10 EFCDHN Oc1ccc(Cl)c(Cl)c1CN1CCN(C[C@@H]2CCCO2)CC1 ZINC001237081464 1313583725 /nfs/dbraw/zinc/58/37/25/1313583725.db2.gz LFOWHLBDKDXRKE-LBPRGKRZSA-N 0 3 345.270 2.996 20 10 EFCDHN COc1ccnc(O[C@H]2CC[N@H+](Cc3ccc(C(C)C)cc3[O-])C2)n1 ZINC001237052452 1313576709 /nfs/dbraw/zinc/57/67/09/1313576709.db2.gz ZSQKGISMWHDXNJ-INIZCTEOSA-N 0 3 343.427 2.968 20 10 EFCDHN COc1ccnc(O[C@H]2CC[N@@H+](Cc3ccc(C(C)C)cc3[O-])C2)n1 ZINC001237052452 1313576713 /nfs/dbraw/zinc/57/67/13/1313576713.db2.gz ZSQKGISMWHDXNJ-INIZCTEOSA-N 0 3 343.427 2.968 20 10 EFCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@@H+]1CC[C@@H](F)[C@@H](O)CC1 ZINC001237052700 1313576789 /nfs/dbraw/zinc/57/67/89/1313576789.db2.gz BVQNLZYNOAOETK-OLZOCXBDSA-N 0 3 337.313 2.628 20 10 EFCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@H+]1CC[C@@H](F)[C@@H](O)CC1 ZINC001237052700 1313576791 /nfs/dbraw/zinc/57/67/91/1313576791.db2.gz BVQNLZYNOAOETK-OLZOCXBDSA-N 0 3 337.313 2.628 20 10 EFCDHN COC[C@H]1Cn2nccc2CN(Cc2ccc(C(C)C)cc2O)C1 ZINC001237052559 1313577049 /nfs/dbraw/zinc/57/70/49/1313577049.db2.gz BPTSOULVDHYQBK-OAHLLOKOSA-N 0 3 329.444 2.991 20 10 EFCDHN CC1=NC2(CC[NH+](Cc3ccc(C(C)C)cc3[O-])CC2)C(=O)N1C ZINC001237051247 1313577171 /nfs/dbraw/zinc/57/71/71/1313577171.db2.gz JBECPGBTHBBGJR-UHFFFAOYSA-N 0 3 329.444 2.741 20 10 EFCDHN CC(C)c1ccc(CN2CCCC[C@@H]2C(=O)N2CCOCC2)c(O)c1 ZINC001237053401 1313577364 /nfs/dbraw/zinc/57/73/64/1313577364.db2.gz LFROQZNAWNGVJR-GOSISDBHSA-N 0 3 346.471 2.729 20 10 EFCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@@H+]1CC[C@H]2OCC[C@@H]2C1 ZINC001237057348 1313577573 /nfs/dbraw/zinc/57/75/73/1313577573.db2.gz BNBYWWQSMGXMPD-IUODEOHRSA-N 0 3 331.334 2.944 20 10 EFCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@H+]1CC[C@H]2OCC[C@@H]2C1 ZINC001237057348 1313577576 /nfs/dbraw/zinc/57/75/76/1313577576.db2.gz BNBYWWQSMGXMPD-IUODEOHRSA-N 0 3 331.334 2.944 20 10 EFCDHN C[C@@H]1C[N@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])CCC[C@@H]1O ZINC001237053780 1313577904 /nfs/dbraw/zinc/57/79/04/1313577904.db2.gz QHMYEKSRFOBSEP-RISCZKNCSA-N 0 3 333.350 2.926 20 10 EFCDHN C[C@@H]1C[N@@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])CCC[C@@H]1O ZINC001237053780 1313577908 /nfs/dbraw/zinc/57/79/08/1313577908.db2.gz QHMYEKSRFOBSEP-RISCZKNCSA-N 0 3 333.350 2.926 20 10 EFCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC001237059960 1313578665 /nfs/dbraw/zinc/57/86/65/1313578665.db2.gz RGMJKIOKMQIRDU-STQMWFEESA-N 0 3 331.334 2.802 20 10 EFCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@H+]1CC[C@H]2COC[C@@H]2C1 ZINC001237059960 1313578667 /nfs/dbraw/zinc/57/86/67/1313578667.db2.gz RGMJKIOKMQIRDU-STQMWFEESA-N 0 3 331.334 2.802 20 10 EFCDHN [O-]c1cccc(OC(F)(F)F)c1CN1CCC[N@@H+]2CCC[C@H]2C1 ZINC001237112067 1313587665 /nfs/dbraw/zinc/58/76/65/1313587665.db2.gz ZVENSIFODHRPIW-LBPRGKRZSA-N 0 3 330.350 2.961 20 10 EFCDHN [O-]c1cccc(OC(F)(F)F)c1CN1CCC[N@H+]2CCC[C@H]2C1 ZINC001237112067 1313587668 /nfs/dbraw/zinc/58/76/68/1313587668.db2.gz ZVENSIFODHRPIW-LBPRGKRZSA-N 0 3 330.350 2.961 20 10 EFCDHN CC(=O)N1CCC[C@@H](N(C)Cc2c(O)cccc2OC(F)(F)F)C1 ZINC001237114864 1313588368 /nfs/dbraw/zinc/58/83/68/1313588368.db2.gz NSUMGJRPGLJCIO-GFCCVEGCSA-N 0 3 346.349 2.734 20 10 EFCDHN CC(=O)N1CCC[C@@H]([N@H+](C)Cc2c([O-])cccc2OC(F)(F)F)C1 ZINC001237114864 1313588370 /nfs/dbraw/zinc/58/83/70/1313588370.db2.gz NSUMGJRPGLJCIO-GFCCVEGCSA-N 0 3 346.349 2.734 20 10 EFCDHN CC(=O)N1CCC[C@@H]([N@@H+](C)Cc2c([O-])cccc2OC(F)(F)F)C1 ZINC001237114864 1313588375 /nfs/dbraw/zinc/58/83/75/1313588375.db2.gz NSUMGJRPGLJCIO-GFCCVEGCSA-N 0 3 346.349 2.734 20 10 EFCDHN Cc1nccnc1O[C@@H]1CC[N@H+](Cc2c([O-])ccc(F)c2Cl)C1 ZINC001237125216 1313591331 /nfs/dbraw/zinc/59/13/31/1313591331.db2.gz ASWZFUHPNKPYDO-LLVKDONJSA-N 0 3 337.782 2.936 20 10 EFCDHN Cc1nccnc1O[C@@H]1CC[N@@H+](Cc2c([O-])ccc(F)c2Cl)C1 ZINC001237125216 1313591333 /nfs/dbraw/zinc/59/13/33/1313591333.db2.gz ASWZFUHPNKPYDO-LLVKDONJSA-N 0 3 337.782 2.936 20 10 EFCDHN CO[C@H]1C[NH2+]C[C@@H]1N(C)Cc1cc(Cl)c(C(C)(C)C)cc1[O-] ZINC001237173932 1313598276 /nfs/dbraw/zinc/59/82/76/1313598276.db2.gz WBFFTKYRYQVGGN-HOCLYGCPSA-N 0 3 326.868 2.762 20 10 EFCDHN O=S1(=O)CCN(c2ccc(CN3CC[C@@H]4CCC[C@@H]4C3)cc2)CC1 ZINC001237204606 1313605016 /nfs/dbraw/zinc/60/50/16/1313605016.db2.gz COWJXLYMKNOADQ-ZWKOTPCHSA-N 0 3 348.512 2.543 20 10 EFCDHN C[C@@H]1CCC[C@@H](C)N1Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC001237202740 1313605210 /nfs/dbraw/zinc/60/52/10/1313605210.db2.gz KCTWFPVHVZBLPP-HZPDHXFCSA-N 0 3 336.501 2.684 20 10 EFCDHN [O-]c1ccccc1C[N@H+](CCOCC(F)(F)F)C[C@H]1CCCO1 ZINC000109761420 1299337131 /nfs/dbraw/zinc/33/71/31/1299337131.db2.gz QMEYQKOUEGZIBZ-CQSZACIVSA-N 0 3 333.350 2.952 20 10 EFCDHN [O-]c1ccccc1C[N@@H+](CCOCC(F)(F)F)C[C@H]1CCCO1 ZINC000109761420 1299337146 /nfs/dbraw/zinc/33/71/46/1299337146.db2.gz QMEYQKOUEGZIBZ-CQSZACIVSA-N 0 3 333.350 2.952 20 10 EFCDHN [O-]c1ccccc1C[N@H+](C[C@H](O)c1ccccn1)C[C@H]1CCCO1 ZINC000851840626 1299427909 /nfs/dbraw/zinc/42/79/09/1299427909.db2.gz JABWRYFVICGVJH-APWZRJJASA-N 0 3 328.412 2.502 20 10 EFCDHN [O-]c1ccccc1C[N@@H+](C[C@H](O)c1ccccn1)C[C@H]1CCCO1 ZINC000851840626 1299427912 /nfs/dbraw/zinc/42/79/12/1299427912.db2.gz JABWRYFVICGVJH-APWZRJJASA-N 0 3 328.412 2.502 20 10 EFCDHN [O-]c1cccc(Br)c1CN1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237394866 1313635916 /nfs/dbraw/zinc/63/59/16/1313635916.db2.gz WPKLPUMZYRUORA-SMDDNHRTSA-N 0 3 325.250 2.729 20 10 EFCDHN CCO[C@H]1CC[N@H+](Cc2c(C)cccc2[O-])[C@H]1Cc1cnn(C)c1 ZINC001237487842 1313654733 /nfs/dbraw/zinc/65/47/33/1313654733.db2.gz FCOSYBSERXUQCE-HKUYNNGSSA-N 0 3 329.444 2.656 20 10 EFCDHN CCO[C@H]1CC[N@@H+](Cc2c(C)cccc2[O-])[C@H]1Cc1cnn(C)c1 ZINC001237487842 1313654737 /nfs/dbraw/zinc/65/47/37/1313654737.db2.gz FCOSYBSERXUQCE-HKUYNNGSSA-N 0 3 329.444 2.656 20 10 EFCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@]2(CCN(c3cccnc3)C2=O)C1 ZINC001237487358 1313655021 /nfs/dbraw/zinc/65/50/21/1313655021.db2.gz YNHTYYLQMWPSLR-HXUWFJFHSA-N 0 3 337.423 2.725 20 10 EFCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@]2(CCN(c3cccnc3)C2=O)C1 ZINC001237487358 1313655025 /nfs/dbraw/zinc/65/50/25/1313655025.db2.gz YNHTYYLQMWPSLR-HXUWFJFHSA-N 0 3 337.423 2.725 20 10 EFCDHN Cc1cccc([O-])c1C[NH+]1C[C@@H]2CN(C(=O)c3ccccc3)C[C@H]2C1 ZINC001237486852 1313655321 /nfs/dbraw/zinc/65/53/21/1313655321.db2.gz UYKHHFRHXVUPHF-QZTJIDSGSA-N 0 3 336.435 2.905 20 10 EFCDHN COc1ccc(N(C)CCN(C)C(=O)c2cccc3c2CNC3)cc1 ZINC000852836112 1299908672 /nfs/dbraw/zinc/90/86/72/1299908672.db2.gz XDTWUYORKANSNH-UHFFFAOYSA-N 0 3 339.439 2.507 20 10 EFCDHN Cc1cccc([O-])c1C[NH+]1CCC2(CCN(CC3CC3)C2=O)CC1 ZINC001237490732 1313655942 /nfs/dbraw/zinc/65/59/42/1313655942.db2.gz AHOLSWVLVCUSDY-UHFFFAOYSA-N 0 3 328.456 2.925 20 10 EFCDHN CCCN1CC[C@@H](NC(=O)c2csc(Cc3ccc(N)cc3)n2)C1 ZINC000852864133 1299919509 /nfs/dbraw/zinc/91/95/09/1299919509.db2.gz OHVNTNDHOXSVCU-OAHLLOKOSA-N 0 3 344.484 2.530 20 10 EFCDHN CC(C)(C)c1cc(O)c(O)c(CN2CCC[C@H](N3CCCC3=O)C2)c1 ZINC000111171236 1300051072 /nfs/dbraw/zinc/05/10/72/1300051072.db2.gz ORVUGMQASZRXCO-INIZCTEOSA-N 0 3 346.471 2.982 20 10 EFCDHN O=C1OCCN1C1CC[NH+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000853608470 1300191217 /nfs/dbraw/zinc/19/12/17/1300191217.db2.gz UPAISGIOZUWNPZ-UHFFFAOYSA-N 0 3 326.396 2.962 20 10 EFCDHN NC(=O)[C@H]1CCC[N@H+](Cc2cc(-c3ccc(F)cc3)ccc2[O-])C1 ZINC001237640403 1313682407 /nfs/dbraw/zinc/68/24/07/1313682407.db2.gz AWCOKPNMSFNNAP-HNNXBMFYSA-N 0 3 328.387 2.896 20 10 EFCDHN NC(=O)[C@H]1CCC[N@@H+](Cc2cc(-c3ccc(F)cc3)ccc2[O-])C1 ZINC001237640403 1313682411 /nfs/dbraw/zinc/68/24/11/1313682411.db2.gz AWCOKPNMSFNNAP-HNNXBMFYSA-N 0 3 328.387 2.896 20 10 EFCDHN C[C@]1(CO)CC[N@H+](Cc2cc(-c3ccc(F)cc3)ccc2[O-])C[C@H]1O ZINC001237640462 1313682425 /nfs/dbraw/zinc/68/24/25/1313682425.db2.gz BTOINQDBYGNQCU-WOJBJXKFSA-N 0 3 345.414 2.764 20 10 EFCDHN C[C@]1(CO)CC[N@@H+](Cc2cc(-c3ccc(F)cc3)ccc2[O-])C[C@H]1O ZINC001237640462 1313682428 /nfs/dbraw/zinc/68/24/28/1313682428.db2.gz BTOINQDBYGNQCU-WOJBJXKFSA-N 0 3 345.414 2.764 20 10 EFCDHN O=C1NCC[C@H]2C[N@@H+](Cc3cc(-c4ccc(F)cc4)ccc3[O-])C[C@@H]12 ZINC001237645781 1313683576 /nfs/dbraw/zinc/68/35/76/1313683576.db2.gz LCCONXYSLHFDLN-MAUKXSAKSA-N 0 3 340.398 2.766 20 10 EFCDHN O=C1NCC[C@H]2C[N@H+](Cc3cc(-c4ccc(F)cc4)ccc3[O-])C[C@@H]12 ZINC001237645781 1313683579 /nfs/dbraw/zinc/68/35/79/1313683579.db2.gz LCCONXYSLHFDLN-MAUKXSAKSA-N 0 3 340.398 2.766 20 10 EFCDHN CCc1nnc(C2CCN(Cc3cc(OC)cc(OC)c3O)CC2)o1 ZINC001237678045 1313689683 /nfs/dbraw/zinc/68/96/83/1313689683.db2.gz JPWTVQGJKAFYTD-UHFFFAOYSA-N 0 3 347.415 2.734 20 10 EFCDHN CCOC(=O)[C@@H]1CCN(Cc2cc(Br)c(C)cc2O)C1 ZINC001237678738 1313690025 /nfs/dbraw/zinc/69/00/25/1313690025.db2.gz LRUYYQROMZQDSC-LLVKDONJSA-N 0 3 342.233 2.848 20 10 EFCDHN CCOC(=O)CC[N@H+](C)Cc1cc(Br)c(C)cc1[O-] ZINC001237680205 1313690302 /nfs/dbraw/zinc/69/03/02/1313690302.db2.gz ANRFUKZGCGCWQA-UHFFFAOYSA-N 0 3 330.222 2.848 20 10 EFCDHN CCOC(=O)CC[N@@H+](C)Cc1cc(Br)c(C)cc1[O-] ZINC001237680205 1313690306 /nfs/dbraw/zinc/69/03/06/1313690306.db2.gz ANRFUKZGCGCWQA-UHFFFAOYSA-N 0 3 330.222 2.848 20 10 EFCDHN Cc1cc([O-])c(CN2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)cc1Br ZINC001237681015 1313691202 /nfs/dbraw/zinc/69/12/02/1313691202.db2.gz GHPIDXZDDVXVJM-SMDDNHRTSA-N 0 3 325.250 2.599 20 10 EFCDHN Cc1cc([O-])c(CN2C[C@@H]3CC[N@H+](C)[C@@H]3C2)cc1Br ZINC001237681015 1313691206 /nfs/dbraw/zinc/69/12/06/1313691206.db2.gz GHPIDXZDDVXVJM-SMDDNHRTSA-N 0 3 325.250 2.599 20 10 EFCDHN COc1cc(CN2CC[C@H](Oc3ncccc3C)C2)c(O)c(OC)c1 ZINC001237684260 1313691523 /nfs/dbraw/zinc/69/15/23/1313691523.db2.gz PLSUXEAUMOONFL-HNNXBMFYSA-N 0 3 344.411 2.766 20 10 EFCDHN CC1=NC2(CC[NH+](Cc3cc(Cl)cc(C)c3[O-])CC2)C(=O)N1C ZINC001237688845 1313692541 /nfs/dbraw/zinc/69/25/41/1313692541.db2.gz JTIGYABMYVJZOR-UHFFFAOYSA-N 0 3 335.835 2.579 20 10 EFCDHN COc1cnc(O[C@H]2CCN(Cc3cc(Cl)cc(C)c3O)C2)nc1 ZINC001237690484 1313692588 /nfs/dbraw/zinc/69/25/88/1313692588.db2.gz YKBHKQAELXQCEW-AWEZNQCLSA-N 0 3 349.818 2.806 20 10 EFCDHN COc1cnc(O[C@H]2CC[N@H+](Cc3cc(Cl)cc(C)c3[O-])C2)nc1 ZINC001237690484 1313692591 /nfs/dbraw/zinc/69/25/91/1313692591.db2.gz YKBHKQAELXQCEW-AWEZNQCLSA-N 0 3 349.818 2.806 20 10 EFCDHN COc1cnc(O[C@H]2CC[N@@H+](Cc3cc(Cl)cc(C)c3[O-])C2)nc1 ZINC001237690484 1313692595 /nfs/dbraw/zinc/69/25/95/1313692595.db2.gz YKBHKQAELXQCEW-AWEZNQCLSA-N 0 3 349.818 2.806 20 10 EFCDHN COCC[NH+](CCOC)Cc1cc(Br)c(C)cc1[O-] ZINC001237676086 1313688814 /nfs/dbraw/zinc/68/88/14/1313688814.db2.gz DYLUPSOWRPPOOA-UHFFFAOYSA-N 0 3 332.238 2.558 20 10 EFCDHN CCO[C@@H]1CN(Cc2cc(F)c(Cl)cc2[O-])[C@@H]2CCCO[C@H]12 ZINC001237938748 1313733787 /nfs/dbraw/zinc/73/37/87/1313733787.db2.gz OLABKBGZMZINED-BMFZPTHFSA-N 0 3 329.799 2.953 20 10 EFCDHN CCO[C@@H]1C[N@H+](Cc2cc(F)c(Cl)cc2[O-])[C@@H]2CCCO[C@H]12 ZINC001237938748 1313733789 /nfs/dbraw/zinc/73/37/89/1313733789.db2.gz OLABKBGZMZINED-BMFZPTHFSA-N 0 3 329.799 2.953 20 10 EFCDHN CCO[C@@H]1C[N@@H+](Cc2cc(F)c(Cl)cc2[O-])[C@@H]2CCCO[C@H]12 ZINC001237938748 1313733792 /nfs/dbraw/zinc/73/37/92/1313733792.db2.gz OLABKBGZMZINED-BMFZPTHFSA-N 0 3 329.799 2.953 20 10 EFCDHN Oc1cc(Cl)c(F)cc1CN1CC[C@@H](Oc2ncc(F)cn2)C1 ZINC001237940886 1313734789 /nfs/dbraw/zinc/73/47/89/1313734789.db2.gz OTRXXIJZSADVCZ-LLVKDONJSA-N 0 3 341.745 2.767 20 10 EFCDHN Cc1cc(F)cc(C[NH+]2C[C@H]3CN(C(=O)c4ccco4)C[C@@H]3C2)c1[O-] ZINC001238061690 1313753299 /nfs/dbraw/zinc/75/32/99/1313753299.db2.gz QPSJYSHGFZZIID-GJZGRUSLSA-N 0 3 344.386 2.637 20 10 EFCDHN Cc1cc(F)cc(C[N@@H+]2C[C@@H]3C[C@H](C(=O)NC4CC4)C[C@@H]3C2)c1[O-] ZINC001238062333 1313753557 /nfs/dbraw/zinc/75/35/57/1313753557.db2.gz WESCTUIGPUGLNQ-ZSOGYDGISA-N 0 3 332.419 2.576 20 10 EFCDHN Cc1cc(F)cc(C[N@H+]2C[C@@H]3C[C@H](C(=O)NC4CC4)C[C@@H]3C2)c1[O-] ZINC001238062333 1313753561 /nfs/dbraw/zinc/75/35/61/1313753561.db2.gz WESCTUIGPUGLNQ-ZSOGYDGISA-N 0 3 332.419 2.576 20 10 EFCDHN Cc1cc(F)cc(CN2CCC(NC(=O)c3cccnc3)CC2)c1O ZINC001238065941 1313754144 /nfs/dbraw/zinc/75/41/44/1313754144.db2.gz GSJLZBDJUYKDQJ-UHFFFAOYSA-N 0 3 343.402 2.629 20 10 EFCDHN Cc1cc(F)cc(C[N@@H+]2CC[C@H]3[C@@H](CCN3C(=O)C(C)C)C2)c1[O-] ZINC001238063014 1313754424 /nfs/dbraw/zinc/75/44/24/1313754424.db2.gz ZDDIKSQDNPEIDV-YOEHRIQHSA-N 0 3 334.435 2.919 20 10 EFCDHN Cc1cc(F)cc(C[N@H+]2CC[C@H]3[C@@H](CCN3C(=O)C(C)C)C2)c1[O-] ZINC001238063014 1313754428 /nfs/dbraw/zinc/75/44/28/1313754428.db2.gz ZDDIKSQDNPEIDV-YOEHRIQHSA-N 0 3 334.435 2.919 20 10 EFCDHN COc1ccnc(O[C@@H]2CCN(Cc3cc(F)cc(C)c3O)C2)c1 ZINC001238066751 1313754978 /nfs/dbraw/zinc/75/49/78/1313754978.db2.gz PCNFKYWGHPLLGM-MRXNPFEDSA-N 0 3 332.375 2.897 20 10 EFCDHN COc1cccnc1O[C@@H]1CCN(Cc2cc(F)cc(C)c2O)C1 ZINC001238066293 1313755299 /nfs/dbraw/zinc/75/52/99/1313755299.db2.gz LVYSCWHWKQWMER-OAHLLOKOSA-N 0 3 332.375 2.897 20 10 EFCDHN CC[N@H+](C)C[C@@H]1CCN(Cc2c([O-])cccc2Br)C1 ZINC000862250294 1302321117 /nfs/dbraw/zinc/32/11/17/1302321117.db2.gz MOKYLZDGJHQZQB-LBPRGKRZSA-N 0 3 327.266 2.928 20 10 EFCDHN CC[N@@H+](C)C[C@@H]1CCN(Cc2c([O-])cccc2Br)C1 ZINC000862250294 1302321129 /nfs/dbraw/zinc/32/11/29/1302321129.db2.gz MOKYLZDGJHQZQB-LBPRGKRZSA-N 0 3 327.266 2.928 20 10 EFCDHN O=C([C@@H]1CCC[C@@]12CC[N@@H+](Cc1cc(F)ccc1[O-])C2)N1CC=CC1 ZINC001278257357 1313846645 /nfs/dbraw/zinc/84/66/45/1313846645.db2.gz UJTFNTDVKOIOAU-PXNSSMCTSA-N 0 3 344.430 2.922 20 10 EFCDHN O=C([C@@H]1CCC[C@@]12CC[N@H+](Cc1cc(F)ccc1[O-])C2)N1CC=CC1 ZINC001278257357 1313846648 /nfs/dbraw/zinc/84/66/48/1313846648.db2.gz UJTFNTDVKOIOAU-PXNSSMCTSA-N 0 3 344.430 2.922 20 10 EFCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCO[C@@]4(CCO[C@H]4C)C3)c2c1 ZINC000794661425 1302884179 /nfs/dbraw/zinc/88/41/79/1302884179.db2.gz HLIYIRWIEFIXCC-XOBRGWDASA-N 0 3 343.423 2.934 20 10 EFCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCO[C@@]4(CCO[C@H]4C)C3)c2c1 ZINC000794661425 1302884192 /nfs/dbraw/zinc/88/41/92/1302884192.db2.gz HLIYIRWIEFIXCC-XOBRGWDASA-N 0 3 343.423 2.934 20 10 EFCDHN Cc1ccc(C)n1-c1ccc(CN2CC[C@H](O)[C@](C)(CO)C2)cc1 ZINC001209516389 1314178513 /nfs/dbraw/zinc/17/85/13/1314178513.db2.gz FKSJIXZMRRXNGG-PMACEKPBSA-N 0 3 328.456 2.659 20 10 EFCDHN Cc1ccc(C)c(CN2CCc3nc(C(=O)N(C)C)ccc3C2)c1O ZINC001278357181 1314254968 /nfs/dbraw/zinc/25/49/68/1314254968.db2.gz GOSBGMLWDRSQHS-UHFFFAOYSA-N 0 3 339.439 2.664 20 10 EFCDHN COc1cc(Br)cc(C[NH2+]CCCOC(F)F)c1[O-] ZINC000800895255 1308634392 /nfs/dbraw/zinc/63/43/92/1308634392.db2.gz JOWWQTAUMKBERJ-UHFFFAOYSA-N 0 3 340.164 2.882 20 10 EFCDHN Cc1cc(CN2CC3(C2)CCC[NH2+]C3)c([O-])cc1Br ZINC001222340343 1311116704 /nfs/dbraw/zinc/11/67/04/1311116704.db2.gz MAOFCIKXIMYZIE-UHFFFAOYSA-N 0 3 325.250 2.649 20 10 EFCDHN [O-]c1cccc(Br)c1CN1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001222427565 1311129770 /nfs/dbraw/zinc/12/97/70/1311129770.db2.gz SMMGZJLNDIJOLJ-OAHLLOKOSA-N 0 3 325.250 2.873 20 10 EFCDHN COc1ccc(N2CCC[C@@]3(CCN(Cc4cn[nH]c4)C3)C2)cc1 ZINC001276925278 1311310705 /nfs/dbraw/zinc/31/07/05/1311310705.db2.gz ZVXIDLDYBYBOCR-IBGZPJMESA-N 0 3 326.444 2.911 20 10 EFCDHN COc1ccc(N2CC[C@H]3CN(Cc4cccc(=O)[nH]4)C[C@H]32)cc1F ZINC001277010906 1311458094 /nfs/dbraw/zinc/45/80/94/1311458094.db2.gz YGIAQIOFXTUSTC-SUMWQHHRSA-N 0 3 343.402 2.646 20 10 EFCDHN CN(C)C(=O)[C@H]1CCC2(C1)CC[NH+](Cc1ccc(O)cc1[O-])CC2 ZINC001277192985 1311782221 /nfs/dbraw/zinc/78/22/21/1311782221.db2.gz WRGJTJDHSJFIDP-AWEZNQCLSA-N 0 3 332.444 2.568 20 10 EFCDHN O=C(Cc1ccccc1)N1CCC[C@@H]([NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000802658416 1311892798 /nfs/dbraw/zinc/89/27/98/1311892798.db2.gz ZKCFOGLFBSYPBZ-GOSISDBHSA-N 0 3 342.414 2.855 20 10 EFCDHN CCN(C(=O)[C@H]1CCSC12CN(Cc1ccccc1O)C2)C(C)C ZINC001277442237 1312177698 /nfs/dbraw/zinc/17/76/98/1312177698.db2.gz UMZBGGHFCFVKLI-MRXNPFEDSA-N 0 3 348.512 2.957 20 10 EFCDHN CN(C(=O)C12CC([NH2+]Cc3ccccc3[O-])(C1)C2)C1CC(F)(F)C1 ZINC001277446064 1312189797 /nfs/dbraw/zinc/18/97/97/1312189797.db2.gz LTJVEVJTGXCOSM-UHFFFAOYSA-N 0 3 336.382 2.661 20 10 EFCDHN CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000903267892 1312524179 /nfs/dbraw/zinc/52/41/79/1312524179.db2.gz HFJURITYLYJODZ-IIAWOOMASA-N 0 3 348.443 2.603 20 10 EFCDHN C[C@@H]1CN(C2CN(Cc3c(O)ccc4ccccc43)C2)C[C@H](C)O1 ZINC001231589776 1312528437 /nfs/dbraw/zinc/52/84/37/1312528437.db2.gz QIVYYNPOSXGLLF-GASCZTMLSA-N 0 3 326.440 2.839 20 10 EFCDHN C[C@@H]1CN(C2C[NH+](Cc3c([O-])ccc4ccccc43)C2)C[C@H](C)O1 ZINC001231589776 1312528441 /nfs/dbraw/zinc/52/84/41/1312528441.db2.gz QIVYYNPOSXGLLF-GASCZTMLSA-N 0 3 326.440 2.839 20 10 EFCDHN COc1cc(CN2CCC[C@@H](Oc3ncccc3C)C2)c(O)cc1O ZINC001231639762 1312537965 /nfs/dbraw/zinc/53/79/65/1312537965.db2.gz JERANIVHRMSZMB-OAHLLOKOSA-N 0 3 344.411 2.853 20 10 EFCDHN CN(C)c1ccc(CN2C[C@H]3C[C@@]3(C(=O)N3CC=CC3)C2)c(Cl)c1 ZINC001277550968 1312549543 /nfs/dbraw/zinc/54/95/43/1312549543.db2.gz IAEFXPGBBWOMNS-DNVCBOLYSA-N 0 3 345.874 2.626 20 10 EFCDHN Cc1cc(C)c(CN2CCN(c3nccc(Cl)n3)CC2)c(O)c1 ZINC001231847305 1312573191 /nfs/dbraw/zinc/57/31/91/1312573191.db2.gz WHLOHCDCIOBWNU-UHFFFAOYSA-N 0 3 332.835 2.775 20 10 EFCDHN Cc1cc(C)c(CN2CCO[C@@H]3C[C@@H](C(=O)NC(C)C)C[C@H]32)c(O)c1 ZINC001231844302 1312573492 /nfs/dbraw/zinc/57/34/92/1312573492.db2.gz IJFPGTGOJDREAG-KVSKMBFKSA-N 0 3 346.471 2.513 20 10 EFCDHN CCc1ncnc2c1CCN(Cc1ccc(N(C)C)cc1OC)CC2 ZINC001231853204 1312574881 /nfs/dbraw/zinc/57/48/81/1312574881.db2.gz VTRKLICBRQXKEX-UHFFFAOYSA-N 0 3 340.471 2.714 20 10 EFCDHN COc1cc(N(C)C)ccc1CN1CCC(c2ncccn2)CC1 ZINC001231853121 1312575073 /nfs/dbraw/zinc/57/50/73/1312575073.db2.gz FVQNILAGVJQEPM-UHFFFAOYSA-N 0 3 326.444 2.931 20 10 EFCDHN CCCCOC(=O)[C@@H]1CCN(Cc2ccc(N(C)C)cc2OC)C1 ZINC001231855740 1312575390 /nfs/dbraw/zinc/57/53/90/1312575390.db2.gz GZNUOJRRNPFDCH-MRXNPFEDSA-N 0 3 334.460 2.926 20 10 EFCDHN COc1cc(N(C)C)ccc1CN1CC[C@H](Oc2ccccn2)C1 ZINC001231858614 1312576133 /nfs/dbraw/zinc/57/61/33/1312576133.db2.gz XBDPJZMNTVSHMG-KRWDZBQOSA-N 0 3 327.428 2.810 20 10 EFCDHN Cc1cc([O-])c(CN2Cc3nccn3C[C@@H](C[NH+](C)C)C2)cc1Cl ZINC001231867420 1312578424 /nfs/dbraw/zinc/57/84/24/1312578424.db2.gz MTXKJWYGFQETJE-AWEZNQCLSA-N 0 3 348.878 2.744 20 10 EFCDHN CCN1CCO[C@@H]2C[N@H+](Cc3ccc4ccccc4c3[O-])C[C@@H]2C1 ZINC001231881224 1312579889 /nfs/dbraw/zinc/57/98/89/1312579889.db2.gz WVEXMGWUILLPIU-PKOBYXMFSA-N 0 3 326.440 2.698 20 10 EFCDHN CCN1CCO[C@@H]2C[N@@H+](Cc3ccc4ccccc4c3[O-])C[C@@H]2C1 ZINC001231881224 1312579892 /nfs/dbraw/zinc/57/98/92/1312579892.db2.gz WVEXMGWUILLPIU-PKOBYXMFSA-N 0 3 326.440 2.698 20 10 EFCDHN Clc1cc(CN2CCC[C@@]23CCOC3)ccc1N1CCOCC1 ZINC001232200372 1312646787 /nfs/dbraw/zinc/64/67/87/1312646787.db2.gz UVHQFVFEAHLHSJ-SFHVURJKSA-N 0 3 336.863 2.932 20 10 EFCDHN CN1CCN(Cc2ccc(N3CCOCC3)c(Cl)c2)CC1(C)C ZINC001232200021 1312646890 /nfs/dbraw/zinc/64/68/90/1312646890.db2.gz NCFLEPOMQRQFRE-UHFFFAOYSA-N 0 3 337.895 2.703 20 10 EFCDHN Clc1cc(CN2CC[C@H]3OCC[C@H]3C2)ccc1N1CCOCC1 ZINC001232199327 1312647351 /nfs/dbraw/zinc/64/73/51/1312647351.db2.gz FNASXLUGYPDNIG-MAUKXSAKSA-N 0 3 336.863 2.787 20 10 EFCDHN CCN1CCN(Cc2ccc(N3CCOCC3)c(Cl)c2)[C@H](C)C1 ZINC001232204805 1312648483 /nfs/dbraw/zinc/64/84/83/1312648483.db2.gz ZFMMBGZHJBIRGB-OAHLLOKOSA-N 0 3 337.895 2.703 20 10 EFCDHN COC1(Cc2nc(-c3ccc(-n4c(C)ccc4C)cc3)no2)CNC1 ZINC001247765099 1314837587 /nfs/dbraw/zinc/83/75/87/1314837587.db2.gz CMDBJKAXOIEINN-UHFFFAOYSA-N 0 3 338.411 2.675 20 10 EFCDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@@H](C)C(F)(F)CC2)c([O-])c1 ZINC001249171870 1315028573 /nfs/dbraw/zinc/02/85/73/1315028573.db2.gz GVQCACGVDGHWQG-GFCCVEGCSA-N 0 3 327.371 2.975 20 10 EFCDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@@H](C)C(F)(F)CC2)c([O-])c1 ZINC001249171870 1315028577 /nfs/dbraw/zinc/02/85/77/1315028577.db2.gz GVQCACGVDGHWQG-GFCCVEGCSA-N 0 3 327.371 2.975 20 10 EFCDHN COC(=O)Cc1ccc(C[N@@H+]2CCC[C@H]2c2cccnc2)c([O-])c1 ZINC001249173669 1315029478 /nfs/dbraw/zinc/02/94/78/1315029478.db2.gz UXRHPQNCXQCGLM-KRWDZBQOSA-N 0 3 326.396 2.840 20 10 EFCDHN COC(=O)Cc1ccc(C[N@H+]2CCC[C@H]2c2cccnc2)c([O-])c1 ZINC001249173669 1315029484 /nfs/dbraw/zinc/02/94/84/1315029484.db2.gz UXRHPQNCXQCGLM-KRWDZBQOSA-N 0 3 326.396 2.840 20 10 EFCDHN COC(=O)Cc1ccc(C[N@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)c([O-])c1 ZINC001249179078 1315030095 /nfs/dbraw/zinc/03/00/95/1315030095.db2.gz ZYYMSEDJNUAAIP-OKILXGFUSA-N 0 3 325.355 2.585 20 10 EFCDHN COC(=O)Cc1ccc(C[N@@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)c([O-])c1 ZINC001249179078 1315030097 /nfs/dbraw/zinc/03/00/97/1315030097.db2.gz ZYYMSEDJNUAAIP-OKILXGFUSA-N 0 3 325.355 2.585 20 10 EFCDHN CCOC[C@@]12CCC[C@@H]1C[N@H+](Cc1ccc(CC(=O)OC)cc1[O-])C2 ZINC001249184607 1315030747 /nfs/dbraw/zinc/03/07/47/1315030747.db2.gz CGXANFBLXVXLMK-XLIONFOSSA-N 0 3 347.455 2.746 20 10 EFCDHN CCOC[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccc(CC(=O)OC)cc1[O-])C2 ZINC001249184607 1315030750 /nfs/dbraw/zinc/03/07/50/1315030750.db2.gz CGXANFBLXVXLMK-XLIONFOSSA-N 0 3 347.455 2.746 20 10 EFCDHN COC(=O)Cc1ccc(C[NH+]2CCC3(CCOCC3)CC2)c([O-])c1 ZINC001249207918 1315033207 /nfs/dbraw/zinc/03/32/07/1315033207.db2.gz MGZRZLYJSKKPEE-UHFFFAOYSA-N 0 3 333.428 2.500 20 10 EFCDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@@H](Oc3ccccc3)C2)c([O-])c1 ZINC001249201118 1315033223 /nfs/dbraw/zinc/03/32/23/1315033223.db2.gz GHORJVBKQCPTBD-GOSISDBHSA-N 0 3 341.407 2.761 20 10 EFCDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@@H](Oc3ccccc3)C2)c([O-])c1 ZINC001249201118 1315033226 /nfs/dbraw/zinc/03/32/26/1315033226.db2.gz GHORJVBKQCPTBD-GOSISDBHSA-N 0 3 341.407 2.761 20 10 EFCDHN Cc1nc(CC[N@@H+](C)Cc2ccc3c(c2[O-])C=CC(C)(C)O3)no1 ZINC001249224194 1315034344 /nfs/dbraw/zinc/03/43/44/1315034344.db2.gz ULRNMEZGGHIOBF-UHFFFAOYSA-N 0 3 329.400 2.942 20 10 EFCDHN Cc1nc(CC[N@H+](C)Cc2ccc3c(c2[O-])C=CC(C)(C)O3)no1 ZINC001249224194 1315034347 /nfs/dbraw/zinc/03/43/47/1315034347.db2.gz ULRNMEZGGHIOBF-UHFFFAOYSA-N 0 3 329.400 2.942 20 10 EFCDHN CC1(C)C=Cc2c([O-])c(C[NH+]3CCC4(CNC(=O)C4)CC3)ccc2O1 ZINC001249223643 1315034440 /nfs/dbraw/zinc/03/44/40/1315034440.db2.gz KUFOJOFRMICRBE-UHFFFAOYSA-N 0 3 342.439 2.679 20 10 EFCDHN CC(C)(C)[N@@H+](Cc1ccc2c(c1[O-])C=CC(C)(C)O2)C[C@@H](O)CO ZINC001249230457 1315036106 /nfs/dbraw/zinc/03/61/06/1315036106.db2.gz HVCHBKOEPRHORF-CQSZACIVSA-N 0 3 335.444 2.530 20 10 EFCDHN CC(C)(C)[N@H+](Cc1ccc2c(c1[O-])C=CC(C)(C)O2)C[C@@H](O)CO ZINC001249230457 1315036110 /nfs/dbraw/zinc/03/61/10/1315036110.db2.gz HVCHBKOEPRHORF-CQSZACIVSA-N 0 3 335.444 2.530 20 10 EFCDHN CC1(C)C=Cc2c([O-])c(C[NH+]3CCC4(CC3)OCCO4)ccc2O1 ZINC001249230892 1315036381 /nfs/dbraw/zinc/03/63/81/1315036381.db2.gz XAWPVNZERSCADG-UHFFFAOYSA-N 0 3 331.412 2.915 20 10 EFCDHN COC(=O)C[C@H]1CC[N@H+](Cc2ccc3c(c2[O-])C=CC(C)(C)O3)C1 ZINC001249259415 1315040694 /nfs/dbraw/zinc/04/06/94/1315040694.db2.gz XMEACVLGSNOCBI-CYBMUJFWSA-N 0 3 331.412 2.961 20 10 EFCDHN COC(=O)C[C@H]1CC[N@@H+](Cc2ccc3c(c2[O-])C=CC(C)(C)O3)C1 ZINC001249259415 1315040698 /nfs/dbraw/zinc/04/06/98/1315040698.db2.gz XMEACVLGSNOCBI-CYBMUJFWSA-N 0 3 331.412 2.961 20 10 EFCDHN COc1c(F)c(F)ccc1-c1noc(C[C@@H]([NH3+])c2ccccc2[O-])n1 ZINC001249339064 1315056201 /nfs/dbraw/zinc/05/62/01/1315056201.db2.gz HDVVKGZYPOWJNE-GFCCVEGCSA-N 0 3 347.321 2.972 20 10 EFCDHN O=C1c2cccc(O[C@H]3CCCC[NH2+]C3)c2C(=O)c2cccc([O-])c21 ZINC001217969616 1315126602 /nfs/dbraw/zinc/12/66/02/1315126602.db2.gz ACMIAYOSPNOKNR-LBPRGKRZSA-N 0 3 337.375 2.689 20 10 EFCDHN O=C(c1ccccc1)c1ccc([O-])c(O)c1O[C@H]1C[NH2+]CCC[C@@H]1F ZINC001217978600 1315128541 /nfs/dbraw/zinc/12/85/41/1315128541.db2.gz QQPVBUNOJFVYOH-HOCLYGCPSA-N 0 3 345.370 2.798 20 10 EFCDHN O=C1c2cccc(O[C@H]3C[C@H]4C[NH2+]C[C@H]4C3)c2C(=O)c2cccc([O-])c21 ZINC001218135325 1315154027 /nfs/dbraw/zinc/15/40/27/1315154027.db2.gz UPZRCDMAQALKEE-CLLJXQQHSA-N 0 3 349.386 2.544 20 10 EFCDHN O=C1c2cccc(O[C@H]3CCC4(C[NH2+]C4)C3)c2C(=O)c2cccc([O-])c21 ZINC001218238269 1315168864 /nfs/dbraw/zinc/16/88/64/1315168864.db2.gz PDTRCYGJWPUXFN-LBPRGKRZSA-N 0 3 349.386 2.689 20 10 EFCDHN Cc1cc(CN2CCC[C@@H]3C[N@@H+](C)C[C@@H]32)c([O-])cc1Br ZINC001250128836 1315176563 /nfs/dbraw/zinc/17/65/63/1315176563.db2.gz MBHAACIHTSXXIE-DOMZBBRYSA-N 0 3 339.277 2.989 20 10 EFCDHN Cc1cc(CN2CCC[C@@H]3C[N@H+](C)C[C@@H]32)c([O-])cc1Br ZINC001250128836 1315176565 /nfs/dbraw/zinc/17/65/65/1315176565.db2.gz MBHAACIHTSXXIE-DOMZBBRYSA-N 0 3 339.277 2.989 20 10 EFCDHN Cc1cc(CN2C[C@@H](C)N(C)[C@@H](C)C2)c(O)cc1Br ZINC001250128916 1315176670 /nfs/dbraw/zinc/17/66/70/1315176670.db2.gz POZJSDKHEFQSKF-TXEJJXNPSA-N 0 3 327.266 2.988 20 10 EFCDHN C[C@H]1C[NH2+]CC[C@H]1Oc1cccc2c1C(=O)c1c([O-])cccc1C2=O ZINC001218419518 1315193207 /nfs/dbraw/zinc/19/32/07/1315193207.db2.gz NOWWQBBDHJBWBH-XHDPSFHLSA-N 0 3 337.375 2.544 20 10 EFCDHN CC(C)c1ccc(OC[C@@H](O)C[NH2+]Cc2ccc(O)cc2[O-])cc1 ZINC001250777799 1315263400 /nfs/dbraw/zinc/26/34/00/1315263400.db2.gz NVMMTHVMTKMYPN-KRWDZBQOSA-N 0 3 331.412 2.751 20 10 EFCDHN Nc1ccc(N(Cc2ccccc2)C(=O)[C@@H]2C[C@@H](F)CCN2)cc1 ZINC001218955736 1315264007 /nfs/dbraw/zinc/26/40/07/1315264007.db2.gz OZAOQSDFZZOKCT-YJBOKZPZSA-N 0 3 327.403 2.892 20 10 EFCDHN CC(C)c1ccc(OC[C@H](O)CNCc2ccc(O)c(O)c2)cc1 ZINC001250782418 1315264208 /nfs/dbraw/zinc/26/42/08/1315264208.db2.gz FZTHHMITUQCDKO-MRXNPFEDSA-N 0 3 331.412 2.751 20 10 EFCDHN CCc1ccc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3C(=O)NC(C)C)c([O-])c1 ZINC001276804379 1315305982 /nfs/dbraw/zinc/30/59/82/1315305982.db2.gz BBPIDWBVHPTARO-IRXDYDNUSA-N 0 3 331.460 2.721 20 10 EFCDHN CCc1ccc(C[N@H+]2CC[C@H]3[C@@H]2CCN3C(=O)NC(C)C)c([O-])c1 ZINC001276804379 1315305987 /nfs/dbraw/zinc/30/59/87/1315305987.db2.gz BBPIDWBVHPTARO-IRXDYDNUSA-N 0 3 331.460 2.721 20 10 EFCDHN CCOC(=O)C1CCC(O)(C[N@H+](CC)Cc2ccccc2[O-])CC1 ZINC001251061570 1315316584 /nfs/dbraw/zinc/31/65/84/1315316584.db2.gz SNDDPHUJNNYHBB-UHFFFAOYSA-N 0 3 335.444 2.699 20 10 EFCDHN CCOC(=O)C1CCC(O)(C[N@@H+](CC)Cc2ccccc2[O-])CC1 ZINC001251061570 1315316587 /nfs/dbraw/zinc/31/65/87/1315316587.db2.gz SNDDPHUJNNYHBB-UHFFFAOYSA-N 0 3 335.444 2.699 20 10 EFCDHN C[C@@H]1CC[NH2+][C@H](C(=O)NCc2cc(Cl)c3cccnc3c2[O-])C1 ZINC001220212728 1315385714 /nfs/dbraw/zinc/38/57/14/1315385714.db2.gz UGBHUJUHOJPYCK-YGRLFVJLSA-N 0 3 333.819 2.598 20 10 EFCDHN [NH3+]CC1CCC(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])CC1 ZINC001220212503 1315385772 /nfs/dbraw/zinc/38/57/72/1315385772.db2.gz MBSQUUOVBPNPGO-UHFFFAOYSA-N 0 3 347.846 2.975 20 10 EFCDHN CC[C@H](C)[C@@H]([NH3+])CC(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001220212525 1315385926 /nfs/dbraw/zinc/38/59/26/1315385926.db2.gz MSYCZOPQIXTYQL-HZMBPMFUSA-N 0 3 335.835 2.974 20 10 EFCDHN [O-]c1cc2ccccc2cc1C[NH+]1CC2(CN(Cc3cn[nH]c3)C2)C1 ZINC001276812409 1315399151 /nfs/dbraw/zinc/39/91/51/1315399151.db2.gz FRXVOWQGRHFZHA-UHFFFAOYSA-N 0 3 334.423 2.586 20 10 EFCDHN COCCOCN1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1ccc(C(C)C)cc1[O-] ZINC001276814048 1315423351 /nfs/dbraw/zinc/42/33/51/1315423351.db2.gz BTRWSAGCMCDXAU-OALUTQOASA-N 0 3 348.487 2.785 20 10 EFCDHN COCCOCN1CC[C@H]2[C@@H]1CC[N@H+]2Cc1ccc(C(C)C)cc1[O-] ZINC001276814048 1315423353 /nfs/dbraw/zinc/42/33/53/1315423353.db2.gz BTRWSAGCMCDXAU-OALUTQOASA-N 0 3 348.487 2.785 20 10 EFCDHN O=C(N[C@H](c1ccc(F)cc1)C1CC[NH2+]CC1)c1cccc(O)c1[O-] ZINC001221043282 1315476143 /nfs/dbraw/zinc/47/61/43/1315476143.db2.gz RLXNMWUBSWBXHW-QGZVFWFLSA-N 0 3 344.386 2.708 20 10 EFCDHN CC[N@H+](Cc1ccccc1[O-])C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC001252930863 1315534934 /nfs/dbraw/zinc/53/49/34/1315534934.db2.gz DYXFTXJANVRHKB-OAQYLSRUSA-N 0 3 340.467 2.851 20 10 EFCDHN CC[N@@H+](Cc1ccccc1[O-])C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC001252930863 1315534936 /nfs/dbraw/zinc/53/49/36/1315534936.db2.gz DYXFTXJANVRHKB-OAQYLSRUSA-N 0 3 340.467 2.851 20 10 EFCDHN C[N@H+](Cc1ccccc1[O-])[C@H]1CCN(C(=O)OC(C)(C)C)C(=O)C1 ZINC001254259660 1315688472 /nfs/dbraw/zinc/68/84/72/1315688472.db2.gz STYGZIGZHIAUBI-AWEZNQCLSA-N 0 3 334.416 2.750 20 10 EFCDHN C[N@@H+](Cc1ccccc1[O-])[C@H]1CCN(C(=O)OC(C)(C)C)C(=O)C1 ZINC001254259660 1315688475 /nfs/dbraw/zinc/68/84/75/1315688475.db2.gz STYGZIGZHIAUBI-AWEZNQCLSA-N 0 3 334.416 2.750 20 10 EFCDHN O=C1NCCCN1c1ccc(C[NH2+]Cc2cc(F)ccc2[O-])cc1 ZINC000827762544 1316014200 /nfs/dbraw/zinc/01/42/00/1316014200.db2.gz MWNCDVYSWYUSQP-UHFFFAOYSA-N 0 3 329.375 2.741 20 10 EFCDHN O=C1CC[C@H]([NH2+]Cc2ccc(O)cc2[O-])CCN1Cc1ccccc1 ZINC001258570036 1316163372 /nfs/dbraw/zinc/16/33/72/1316163372.db2.gz GVEYTIKXPQDUFJ-KRWDZBQOSA-N 0 3 340.423 2.769 20 10 EFCDHN Nc1ccc(CNC(=O)N[C@@H](CN2CCCC2)c2ccccc2)cc1 ZINC001262562033 1316472332 /nfs/dbraw/zinc/47/23/32/1316472332.db2.gz NHRKCCFCEZYXDD-IBGZPJMESA-N 0 3 338.455 2.905 20 10 EFCDHN C[C@@H]1[C@H](C)SCCN1Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001319712628 1328960102 /nfs/dbraw/zinc/96/01/02/1328960102.db2.gz PTRJIWAOMLUQKG-CABCVRRESA-N 0 3 337.508 2.903 20 10 EFCDHN CN1CCN(c2ccc(CN3CCSC(C)(C)C3)cc2F)CC1 ZINC001319713224 1328961250 /nfs/dbraw/zinc/96/12/50/1328961250.db2.gz USKNXKMCZVPJOX-UHFFFAOYSA-N 0 3 337.508 2.905 20 10 EFCDHN CN(Cc1cccnc1)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001319945900 1329041029 /nfs/dbraw/zinc/04/10/29/1329041029.db2.gz KYTIITWHPFPRNH-UHFFFAOYSA-N 0 3 328.435 2.605 20 10 EFCDHN C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3cnn(C)c3)C2)c2c1c(F)ccc2[O-] ZINC001320125385 1329090419 /nfs/dbraw/zinc/09/04/19/1329090419.db2.gz RTBMJSBFTIPLGR-LALPHHSUSA-N 0 3 330.407 2.682 20 10 EFCDHN C[C@H](C[S@@](C)=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000753765241 1324796033 /nfs/dbraw/zinc/79/60/33/1324796033.db2.gz XWKSVGVBHOWCFB-GPAUDHNESA-N 0 3 344.908 2.594 20 10 EFCDHN CCOc1ccc(C[N@@H+]2CCC[C@@H](Cc3nccn3C)C2)c([O-])c1 ZINC001323888601 1329582897 /nfs/dbraw/zinc/58/28/97/1329582897.db2.gz BVLOSXSMNRYSAR-HNNXBMFYSA-N 0 3 329.444 2.979 20 10 EFCDHN CCOc1ccc(C[N@H+]2CCC[C@@H](Cc3nccn3C)C2)c([O-])c1 ZINC001323888601 1329582898 /nfs/dbraw/zinc/58/28/98/1329582898.db2.gz BVLOSXSMNRYSAR-HNNXBMFYSA-N 0 3 329.444 2.979 20 10 EFCDHN CCO[C@@H]1CCCN(Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001324166317 1329604799 /nfs/dbraw/zinc/60/47/99/1329604799.db2.gz CTKSCFKRPSRNSR-QGZVFWFLSA-N 0 3 335.467 2.578 20 10 EFCDHN CNC(=O)OC[C@@H]1CCCCN1Cc1ccc(N2CCCC2)cc1 ZINC001325737943 1329709578 /nfs/dbraw/zinc/70/95/78/1329709578.db2.gz NLDVDLBRAINRCJ-SFHVURJKSA-N 0 3 331.460 2.997 20 10 EFCDHN CS(=O)(=O)C1(CNCc2ccc(N3CCCC3)cc2)CCCC1 ZINC001329794439 1330737950 /nfs/dbraw/zinc/73/79/50/1330737950.db2.gz ZYEXUTPRDFVARE-UHFFFAOYSA-N 0 3 336.501 2.734 20 10 EFCDHN Cc1cc(NC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)sn1 ZINC001333487736 1331153614 /nfs/dbraw/zinc/15/36/14/1331153614.db2.gz ZUJZSGVUMLGPAR-OAHLLOKOSA-N 0 3 347.488 2.942 20 10 EFCDHN Cc1cc(N)nc(NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)n1 ZINC001333676712 1331192493 /nfs/dbraw/zinc/19/24/93/1331192493.db2.gz ABBJVMCJTRWUJE-STQMWFEESA-N 0 3 345.422 2.732 20 10 EFCDHN Cc1occc1CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001333694607 1331195329 /nfs/dbraw/zinc/19/53/29/1331195329.db2.gz GVZKJCNAKXXNIH-SFHVURJKSA-N 0 3 344.459 2.756 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=O)CC2CC(F)(F)C2)N(C)C)cc1 ZINC001334843354 1331316245 /nfs/dbraw/zinc/31/62/45/1331316245.db2.gz UAUDXGWREAGLQR-MRXNPFEDSA-N 0 3 339.430 2.907 20 10 EFCDHN COC(=O)c1ccc(N2CCN(Cc3ccc(N)cc3)[C@@H](C)C2)cc1 ZINC001336284914 1331455219 /nfs/dbraw/zinc/45/52/19/1331455219.db2.gz DSSBOVCVFWOJCB-HNNXBMFYSA-N 0 3 339.439 2.766 20 10 EFCDHN Cc1cc(CN2CCCN(Cc3ccc(N(C)C)cc3)CC2)no1 ZINC001337026165 1331528989 /nfs/dbraw/zinc/52/89/89/1331528989.db2.gz OHDKMYMZUFOICW-UHFFFAOYSA-N 0 3 328.460 2.757 20 10 EFCDHN C[C@@H]1[C@H](NC(=O)NCc2ccc(N)cc2)CCN1Cc1ccccc1 ZINC001338608289 1331719511 /nfs/dbraw/zinc/71/95/11/1331719511.db2.gz PKZLKJGPMAXYDZ-DNVCBOLYSA-N 0 3 338.455 2.731 20 10 EFCDHN COC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC001338953641 1331761647 /nfs/dbraw/zinc/76/16/47/1331761647.db2.gz SOGYZVAZWJQHSB-QWHCGFSZSA-N 0 3 342.233 2.894 20 10 EFCDHN C[C@@H](NC(=O)NCc1ccc(N)cc1)[C@@H](c1ccccc1)N(C)C ZINC001346440861 1332641324 /nfs/dbraw/zinc/64/13/24/1332641324.db2.gz LPDUMMSOVBHSAX-KDOFPFPSSA-N 0 3 326.444 2.759 20 10 EFCDHN CN(C)CCN(Cc1ccsc1)C(=O)NCc1ccc(N)cc1 ZINC001346739754 1332680601 /nfs/dbraw/zinc/68/06/01/1332680601.db2.gz UPQMRUVUVXCFHP-UHFFFAOYSA-N 0 3 332.473 2.604 20 10 EFCDHN CC(=O)OC[C@@H](C)[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC001355255124 1334725661 /nfs/dbraw/zinc/72/56/61/1334725661.db2.gz UNXINNJODYUFEL-MLGOLLRUSA-N 0 3 340.851 2.551 20 10 EFCDHN Nc1ccc(CN2CCCN(C(=O)Cc3cccc(F)c3)CC2)cc1 ZINC001356083667 1334950670 /nfs/dbraw/zinc/95/06/70/1334950670.db2.gz XIVUSASDEXZVGE-UHFFFAOYSA-N 0 3 341.430 2.685 20 10 EFCDHN CCc1cccc(CN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1O ZINC000848880183 1334956650 /nfs/dbraw/zinc/95/66/50/1334956650.db2.gz BSTZQDWCRDHBEK-UHFFFAOYSA-N 0 3 342.399 2.580 20 10 EFCDHN CCc1cccc(CN2CCN(Cc3cccc(O)c3)CC2)c1O ZINC000848883450 1334959446 /nfs/dbraw/zinc/95/94/46/1334959446.db2.gz FNRODFGBKLRKSW-UHFFFAOYSA-N 0 3 326.440 2.978 20 10 EFCDHN CCc1cccc(CNCCS(=O)(=O)Cc2ccccc2)c1O ZINC000848894074 1334967726 /nfs/dbraw/zinc/96/77/26/1334967726.db2.gz GCPBZMBABKALIC-UHFFFAOYSA-N 0 3 333.453 2.659 20 10 EFCDHN COc1ccc(O)c(CN2CCC(Oc3ncc(C)cn3)CC2)c1 ZINC000848925306 1334991141 /nfs/dbraw/zinc/99/11/41/1334991141.db2.gz SHMZQYKOUKMIBV-UHFFFAOYSA-N 0 3 329.400 2.543 20 10 EFCDHN CC[C@H](C)C[C@H](N)C(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC001357391063 1335306365 /nfs/dbraw/zinc/30/63/65/1335306365.db2.gz DVHFWSOJTBMWMW-KSSFIOAISA-N 0 3 333.476 2.544 20 10 EFCDHN COc1cc(CN2CC[C@@H](NC(=O)OC(C)(C)C)C2)c(O)cc1C ZINC000160422343 714088347 /nfs/dbraw/zinc/08/83/47/714088347.db2.gz SMQKUGYAFJRXRV-CQSZACIVSA-N 0 3 336.432 2.808 20 10 EFCDHN CC(C)c1nocc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891245420 714132582 /nfs/dbraw/zinc/13/25/82/714132582.db2.gz DTSHBJXVYDRJPV-QGZVFWFLSA-N 0 3 344.459 2.897 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CCCCS2)N(C)C)cc1 ZINC000891246709 714132596 /nfs/dbraw/zinc/13/25/96/714132596.db2.gz CFTNXFNJLSGVFH-IAGOWNOFSA-N 0 3 335.517 2.757 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)[C@H]2CCCCS2)N(C)C)cc1 ZINC000891246708 714132888 /nfs/dbraw/zinc/13/28/88/714132888.db2.gz CFTNXFNJLSGVFH-DLBZAZTESA-N 0 3 335.517 2.757 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=O)/C=C\c2ccc[nH]2)N(C)C)cc1 ZINC000891246775 714133204 /nfs/dbraw/zinc/13/32/04/714133204.db2.gz DGFFPMZLMVTWLC-ZVBPTUHVSA-N 0 3 326.444 2.513 20 10 EFCDHN COCCC(C)(C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891246757 714133311 /nfs/dbraw/zinc/13/33/11/714133311.db2.gz CYNHDVCVVXMZPU-QGZVFWFLSA-N 0 3 335.492 2.534 20 10 EFCDHN CSC1(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)CCC1 ZINC000891248662 714136995 /nfs/dbraw/zinc/13/69/95/714136995.db2.gz MOBPXBJRDZUPLQ-INIZCTEOSA-N 0 3 335.517 2.757 20 10 EFCDHN CCC[C@H](OCC)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891248252 714137315 /nfs/dbraw/zinc/13/73/15/714137315.db2.gz XFULUQMRSQUZRE-MSOLQXFVSA-N 0 3 335.492 2.677 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=O)c2cnc(C3CC3)o2)N(C)C)cc1 ZINC000891248246 714137527 /nfs/dbraw/zinc/13/75/27/714137527.db2.gz XEHKLGIWDQYRAR-MRXNPFEDSA-N 0 3 342.443 2.651 20 10 EFCDHN CCc1nc(C)c(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)o1 ZINC000891249301 714137943 /nfs/dbraw/zinc/13/79/43/714137943.db2.gz QKTQTKIELWLPLM-MRXNPFEDSA-N 0 3 344.459 2.644 20 10 EFCDHN CO[C@@H](CC(C)C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891248946 714139668 /nfs/dbraw/zinc/13/96/68/714139668.db2.gz OZBTXMFJCGCWNK-ROUUACIJSA-N 0 3 335.492 2.533 20 10 EFCDHN COCCC[C@@H](C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891248761 714139717 /nfs/dbraw/zinc/13/97/17/714139717.db2.gz NUGPDGHXDVIHLN-QAPCUYQASA-N 0 3 335.492 2.534 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)C=C2CCSCC2)N(C)C)cc1 ZINC000891248970 714140347 /nfs/dbraw/zinc/14/03/47/714140347.db2.gz ONIVOSHWARJIBA-SFHVURJKSA-N 0 3 347.528 2.925 20 10 EFCDHN Cc1ccc(O)cc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891250240 714141971 /nfs/dbraw/zinc/14/19/71/714141971.db2.gz VPRDDMQEDKVXIJ-LJQANCHMSA-N 0 3 341.455 2.799 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)COCC2CCCC2)N(C)C)cc1 ZINC000891250730 714142932 /nfs/dbraw/zinc/14/29/32/714142932.db2.gz ZPANQMMBMCSENH-IBGZPJMESA-N 0 3 347.503 2.678 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=O)CC2(O)CCCCC2)N(C)C)cc1 ZINC000891251582 714144909 /nfs/dbraw/zinc/14/49/09/714144909.db2.gz HCDZVIZXFLTQDK-GOSISDBHSA-N 0 3 347.503 2.557 20 10 EFCDHN Cc1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)cc1O ZINC000891251649 714145350 /nfs/dbraw/zinc/14/53/50/714145350.db2.gz CWOMZWRIRAPCQG-GOSISDBHSA-N 0 3 341.455 2.799 20 10 EFCDHN CCO[C@H](CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)C(C)C ZINC000891252754 714146003 /nfs/dbraw/zinc/14/60/03/714146003.db2.gz NPGIQFQLHFQRQT-RBUKOAKNSA-N 0 3 349.519 2.923 20 10 EFCDHN CCCCO[C@H](C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891254719 714148305 /nfs/dbraw/zinc/14/83/05/714148305.db2.gz IQIJAQPXHUXNRY-QAPCUYQASA-N 0 3 335.492 2.677 20 10 EFCDHN Cc1cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)c(C)[nH]1 ZINC000891255274 714151389 /nfs/dbraw/zinc/15/13/89/714151389.db2.gz OELQGOQBNCWDEH-GOSISDBHSA-N 0 3 328.460 2.730 20 10 EFCDHN CCc1noc(C)c1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891255439 714151826 /nfs/dbraw/zinc/15/18/26/714151826.db2.gz PFSUZBHEYWPYSE-QGZVFWFLSA-N 0 3 344.459 2.644 20 10 EFCDHN CC(C)CO[C@H](C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891255416 714151873 /nfs/dbraw/zinc/15/18/73/714151873.db2.gz OWBGUUFLUMXSDD-CRAIPNDOSA-N 0 3 335.492 2.533 20 10 EFCDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CNCc2ccccc21 ZINC000326920323 715535496 /nfs/dbraw/zinc/53/54/96/715535496.db2.gz IHCFLQVJMGBAOY-HXUWFJFHSA-N 0 3 337.467 2.988 20 10 EFCDHN CC1(C)CN(CCCF)C[C@@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000977658731 716450491 /nfs/dbraw/zinc/45/04/91/716450491.db2.gz IWJDVDIIDQTZGQ-AWEZNQCLSA-N 0 3 349.410 2.649 20 10 EFCDHN CCn1cc(CN[C@H](C)c2ccc(N3CCOCC3)cc2)c(C)n1 ZINC000892728926 719057199 /nfs/dbraw/zinc/05/71/99/719057199.db2.gz HQAYZFZJGNRXJI-OAHLLOKOSA-N 0 3 328.460 2.899 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)NOC2CCCC2)N(C)C)cc1 ZINC000894020059 720221873 /nfs/dbraw/zinc/22/18/73/720221873.db2.gz YYXLJHVESBXRSL-KRWDZBQOSA-N 0 3 334.464 2.529 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=O)NOC2CCCC2)N(C)C)cc1 ZINC000894020061 720222175 /nfs/dbraw/zinc/22/21/75/720222175.db2.gz YYXLJHVESBXRSL-QGZVFWFLSA-N 0 3 334.464 2.529 20 10 EFCDHN CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1Cc1cc(C)cc(OC)c1O ZINC000894053324 720253004 /nfs/dbraw/zinc/25/30/04/720253004.db2.gz JBHLGVFVNBSIRC-SJORKVTESA-N 0 3 334.460 2.931 20 10 EFCDHN CNS(=O)(=O)c1ccc([C@@H](C)NCc2ccc(OC)c(C)c2)cc1 ZINC000067247886 721084036 /nfs/dbraw/zinc/08/40/36/721084036.db2.gz VRFYENLJINGMGP-CQSZACIVSA-N 0 3 348.468 2.763 20 10 EFCDHN C[C@@H]1CCNC(=O)[C@@H]1[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000195007588 721087212 /nfs/dbraw/zinc/08/72/12/721087212.db2.gz SYRFLMPKGVCGFT-AUUYWEPGSA-N 0 3 340.423 2.585 20 10 EFCDHN COC(=O)[C@@H](C)Oc1ccccc1C[NH2+]Cc1ccc(OC)cc1[O-] ZINC000894184610 721181441 /nfs/dbraw/zinc/18/14/41/721181441.db2.gz DGSOISWCBWMAAS-CYBMUJFWSA-N 0 3 345.395 2.631 20 10 EFCDHN COC(=O)[C@@H](C)Oc1ccccc1CNCc1ccc(OC)cc1O ZINC000894184610 721181443 /nfs/dbraw/zinc/18/14/43/721181443.db2.gz DGSOISWCBWMAAS-CYBMUJFWSA-N 0 3 345.395 2.631 20 10 EFCDHN Oc1ccccc1CNCc1sc(N2CCOCC2)nc1Cl ZINC000894212434 721259417 /nfs/dbraw/zinc/25/94/17/721259417.db2.gz ABKCMXYINMSTHW-UHFFFAOYSA-N 0 3 339.848 2.629 20 10 EFCDHN CCN1CCN(c2ccc(CN[C@@H](C)c3cn(C)cn3)cc2F)CC1 ZINC000924994758 722040937 /nfs/dbraw/zinc/04/09/37/722040937.db2.gz AISZGFBYASEDQD-HNNXBMFYSA-N 0 3 345.466 2.552 20 10 EFCDHN COC(=O)[C@@H](C)Oc1ccccc1CNCc1cccc(OC)c1O ZINC000894457636 722741918 /nfs/dbraw/zinc/74/19/18/722741918.db2.gz FQWKZVNNCPLRBP-CYBMUJFWSA-N 0 3 345.395 2.631 20 10 EFCDHN COCCCN(Cc1ccncc1)Cc1ccc(OC)c(OC)c1O ZINC000894463561 722744002 /nfs/dbraw/zinc/74/40/02/722744002.db2.gz XRIPAOAUIICBII-UHFFFAOYSA-N 0 3 346.427 2.843 20 10 EFCDHN CN(C)[C@H](CNC(=O)N(C)Cc1ccccc1O)Cc1ccccc1 ZINC000126807600 723180352 /nfs/dbraw/zinc/18/03/52/723180352.db2.gz BQTAXTWMWBWYTJ-SFHVURJKSA-N 0 3 341.455 2.707 20 10 EFCDHN COc1cccc(O)c1CNC[C@](O)(c1ccccc1)C(F)(F)F ZINC000727837131 723197046 /nfs/dbraw/zinc/19/70/46/723197046.db2.gz LBHWRQMVIADWEL-INIZCTEOSA-N 0 3 341.329 2.941 20 10 EFCDHN COc1c(O)c(CNCc2nc3c(s2)CCC3)ccc1[N+](=O)[O-] ZINC000896287936 723236265 /nfs/dbraw/zinc/23/62/65/723236265.db2.gz QTOLUFLVNSEABD-UHFFFAOYSA-N 0 3 335.385 2.544 20 10 EFCDHN C=C/C=C\CCNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000896437236 723301734 /nfs/dbraw/zinc/30/17/34/723301734.db2.gz MQEKURMAHZGKHU-ZEVQVBBLSA-N 0 3 330.476 2.787 20 10 EFCDHN COc1cc(Br)cc(CN2CCCCC[C@H]2CO)c1O ZINC000895150729 723469270 /nfs/dbraw/zinc/46/92/70/723469270.db2.gz BYTKWSSSPMFBQO-ZDUSSCGKSA-N 0 3 344.249 2.900 20 10 EFCDHN CN(Cc1cccs1)c1ccc(CN[C@@H]2C(=O)NCC2(C)C)cc1 ZINC000895321021 724028019 /nfs/dbraw/zinc/02/80/19/724028019.db2.gz JQANCRUHRMULRW-QGZVFWFLSA-N 0 3 343.496 2.999 20 10 EFCDHN C[C@@H](NCc1ccc2c(c1)CCO2)c1cccc(NS(C)(=O)=O)c1 ZINC000067505162 724098287 /nfs/dbraw/zinc/09/82/87/724098287.db2.gz DTHLUJOAOGWYHH-CYBMUJFWSA-N 0 3 346.452 2.844 20 10 EFCDHN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N(C)[C@H]1CCCN(C)C1 ZINC000895393891 724108941 /nfs/dbraw/zinc/10/89/41/724108941.db2.gz JCQKJMJETUZDBY-APWZRJJASA-N 0 3 346.519 2.728 20 10 EFCDHN Cc1cccc(CN[C@H]2CCN(c3c(F)cccc3F)C2=O)c1O ZINC000895493127 724158968 /nfs/dbraw/zinc/15/89/68/724158968.db2.gz GNWMMKNMKWUSOX-HNNXBMFYSA-N 0 3 332.350 2.874 20 10 EFCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@@H]1CC(c2ccc3c(c2)CCO3)=NO1 ZINC000895507199 724166174 /nfs/dbraw/zinc/16/61/74/724166174.db2.gz CZPODRJLRLMDOX-INIZCTEOSA-N 0 3 342.370 2.749 20 10 EFCDHN COc1ccc(C2=NO[C@@H](C[NH2+]Cc3cc(F)ccc3[O-])C2)cc1 ZINC000895496973 724167906 /nfs/dbraw/zinc/16/79/06/724167906.db2.gz XMVYJEYDTXXQRV-MRXNPFEDSA-N 0 3 330.359 2.823 20 10 EFCDHN COc1ccc(CN(CCO)Cc2cc(C)cc(OC)c2O)cc1 ZINC000895711068 724270459 /nfs/dbraw/zinc/27/04/59/724270459.db2.gz OTQQLUWZLJEPHD-UHFFFAOYSA-N 0 3 331.412 2.712 20 10 EFCDHN CCOc1ccc(O)c(CN(CCO)Cc2ccc(OC)cc2)c1 ZINC000895711721 724270934 /nfs/dbraw/zinc/27/09/34/724270934.db2.gz UYOUSVLARSKLNL-UHFFFAOYSA-N 0 3 331.412 2.794 20 10 EFCDHN CCO/C=C\[C@@](O)(CNCc1ccc(N(C)C)cc1C)C(F)(F)F ZINC000895715222 724275009 /nfs/dbraw/zinc/27/50/09/724275009.db2.gz AOXCFERZYYVWKZ-HLRDLLSLSA-N 0 3 346.393 2.994 20 10 EFCDHN Cc1cc(Br)cc(C[N@@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)c1[O-] ZINC000895781156 724318888 /nfs/dbraw/zinc/31/88/88/724318888.db2.gz FISWLSRMRYXZGO-GDLCADMTSA-N 0 3 326.234 2.666 20 10 EFCDHN Cc1cc(Br)cc(C[N@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)c1[O-] ZINC000895781156 724318891 /nfs/dbraw/zinc/31/88/91/724318891.db2.gz FISWLSRMRYXZGO-GDLCADMTSA-N 0 3 326.234 2.666 20 10 EFCDHN CC(C)(C)c1cc(O)c(O)c(CN2CCC(NC(=O)C3CC3)CC2)c1 ZINC000029586559 724934150 /nfs/dbraw/zinc/93/41/50/724934150.db2.gz IIRONQYZDYPDBL-UHFFFAOYSA-N 0 3 346.471 2.886 20 10 EFCDHN COc1ccc(O)c(CN(C)C[C@@H]2CCN2C(=O)OC(C)(C)C)c1 ZINC000897405437 725011080 /nfs/dbraw/zinc/01/10/80/725011080.db2.gz CWPQOUIMYXGKJQ-AWEZNQCLSA-N 0 3 336.432 2.842 20 10 EFCDHN COc1cccc(O)c1CN(C)C[C@@H]1CCN1C(=O)OC(C)(C)C ZINC000897406033 725012838 /nfs/dbraw/zinc/01/28/38/725012838.db2.gz RZLKMMVURWRWOF-ZDUSSCGKSA-N 0 3 336.432 2.842 20 10 EFCDHN COc1cccc(CN(C)C[C@H]2CCN2C(=O)OC(C)(C)C)c1O ZINC000897405905 725012867 /nfs/dbraw/zinc/01/28/67/725012867.db2.gz NKHDSAXCVNRFJV-CQSZACIVSA-N 0 3 336.432 2.842 20 10 EFCDHN [O-]c1ccccc1C[N@H+](CCOC[C@H]1CCCO1)C[C@@H]1CCCO1 ZINC000152293459 725989347 /nfs/dbraw/zinc/98/93/47/725989347.db2.gz CLKRDKCUQZIMGW-ZWKOTPCHSA-N 0 3 335.444 2.569 20 10 EFCDHN [O-]c1ccccc1C[N@@H+](CCOC[C@H]1CCCO1)C[C@@H]1CCCO1 ZINC000152293459 725989348 /nfs/dbraw/zinc/98/93/48/725989348.db2.gz CLKRDKCUQZIMGW-ZWKOTPCHSA-N 0 3 335.444 2.569 20 10 EFCDHN CCN1CCCC[C@H]1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000729343874 726317580 /nfs/dbraw/zinc/31/75/80/726317580.db2.gz GZGKYDSCJGPDGV-APWZRJJASA-N 0 3 345.487 2.575 20 10 EFCDHN CN(Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C[C@@H]1CCC[N@H+](C)C1 ZINC000092253549 727326822 /nfs/dbraw/zinc/32/68/22/727326822.db2.gz CVODJMSTNCKHAY-LLVKDONJSA-N 0 3 327.812 2.727 20 10 EFCDHN CN(Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C[C@@H]1CCC[N@@H+](C)C1 ZINC000092253549 727326825 /nfs/dbraw/zinc/32/68/25/727326825.db2.gz CVODJMSTNCKHAY-LLVKDONJSA-N 0 3 327.812 2.727 20 10 EFCDHN COCCN(CCOC)Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000163818688 727888760 /nfs/dbraw/zinc/88/87/60/727888760.db2.gz WXQGXUHXSAGUGN-UHFFFAOYSA-N 0 3 325.449 2.793 20 10 EFCDHN COC(=O)CCN(Cc1ccncc1)Cc1cc(C)cc(C)c1O ZINC000164475475 727954797 /nfs/dbraw/zinc/95/47/97/727954797.db2.gz DKPWHAMYZDIXFH-UHFFFAOYSA-N 0 3 328.412 2.969 20 10 EFCDHN COc1ccc(O)c([C@H](C)NCC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)c1 ZINC000182406545 728146040 /nfs/dbraw/zinc/14/60/40/728146040.db2.gz INLORWVWLHROIH-QDEZUTFSSA-N 0 3 334.460 2.992 20 10 EFCDHN COc1ccc(O)c([C@H](C)NCC(=O)NCc2ccccc2C)c1 ZINC000182407136 728146077 /nfs/dbraw/zinc/14/60/77/728146077.db2.gz XBLDXUDCDNKXMC-AWEZNQCLSA-N 0 3 328.412 2.676 20 10 EFCDHN COc1ccc(O)c([C@@H](C)NCC(=O)NCc2ccccc2C)c1 ZINC000182407156 728146179 /nfs/dbraw/zinc/14/61/79/728146179.db2.gz XBLDXUDCDNKXMC-CQSZACIVSA-N 0 3 328.412 2.676 20 10 EFCDHN COc1ccc(O)c([C@@H](C)NCC(=O)NCc2cccc(C)c2)c1 ZINC000182412909 728146565 /nfs/dbraw/zinc/14/65/65/728146565.db2.gz DDZQWDHVZWPFLD-CQSZACIVSA-N 0 3 328.412 2.676 20 10 EFCDHN CCNC(=O)CNCc1ccc(N(CC)Cc2ccccc2)cc1 ZINC000060833171 728433078 /nfs/dbraw/zinc/43/30/78/728433078.db2.gz VJAPBGOLIIVZMN-UHFFFAOYSA-N 0 3 325.456 2.939 20 10 EFCDHN Cc1cccc(CN(C)[C@@H](C)c2cccc(S(N)(=O)=O)c2)c1O ZINC000179882380 729645700 /nfs/dbraw/zinc/64/57/00/729645700.db2.gz GNMYORABUODAGP-ZDUSSCGKSA-N 0 3 334.441 2.541 20 10 EFCDHN CCCN(Cc1c([O-])cccc1Br)C[C@@H]1CC[NH2+]C1 ZINC001236836941 1118160868 /nfs/dbraw/zinc/16/08/68/1118160868.db2.gz ZKVPTGRIHIAITR-GFCCVEGCSA-N 0 3 327.266 2.976 20 10 EFCDHN CCOc1ccc(C[NH2+][C@@H](CO)Cc2c[nH]c3ccccc23)c([O-])c1 ZINC000734845578 1126106850 /nfs/dbraw/zinc/10/68/50/1126106850.db2.gz VCQRVYKDXFMFJU-MRXNPFEDSA-N 0 3 340.423 2.965 20 10 EFCDHN COc1ccc(-n2c(C)cc(C(=O)N3CCNCC3(C)C)c2C)cc1 ZINC001579185461 1090537854 /nfs/dbraw/zinc/53/78/54/1090537854.db2.gz LYLZUFFUIMCLFR-UHFFFAOYSA-N 0 3 341.455 2.927 20 10 EFCDHN O=C(NCc1cc(Cl)ccc1O)NC[C@@H]1Cc2ccccc2CN1 ZINC001580707960 1090989796 /nfs/dbraw/zinc/98/97/96/1090989796.db2.gz HIIXPVYVLXDRQX-INIZCTEOSA-N 0 3 345.830 2.559 20 10 EFCDHN COc1ccc(C[NH2+][C@H](C)c2cc(C)ccc2O)cc1-c1nnn[n-]1 ZINC001591596273 1093785103 /nfs/dbraw/zinc/78/51/03/1093785103.db2.gz OKIHQXINOWVKAU-GFCCVEGCSA-N 0 3 339.399 2.740 20 10 EFCDHN COc1ccc(C[NH2+][C@H](C)c2cc(C)ccc2O)cc1-c1nn[n-]n1 ZINC001591596273 1093785106 /nfs/dbraw/zinc/78/51/06/1093785106.db2.gz OKIHQXINOWVKAU-GFCCVEGCSA-N 0 3 339.399 2.740 20 10 EFCDHN COc1ccc(O)c(C[N@H+](C)[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC001591618141 1093801200 /nfs/dbraw/zinc/80/12/00/1093801200.db2.gz FJUIVVFRJZCNSF-GFCCVEGCSA-N 0 3 339.399 2.774 20 10 EFCDHN COc1ccc(O)c(C[N@@H+](C)[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC001591618141 1093801208 /nfs/dbraw/zinc/80/12/08/1093801208.db2.gz FJUIVVFRJZCNSF-GFCCVEGCSA-N 0 3 339.399 2.774 20 10 EFCDHN COc1cc(Br)cc(CN2CCC[C@H]([C@@H](C)O)C2)c1O ZINC000780893707 1094587170 /nfs/dbraw/zinc/58/71/70/1094587170.db2.gz ZDOSMRNFMYXRIB-MNOVXSKESA-N 0 3 344.249 2.756 20 10 EFCDHN COc1cc(Br)cc(CN2CCC[C@@H]([C@H](C)O)C2)c1O ZINC000780893709 1094587763 /nfs/dbraw/zinc/58/77/63/1094587763.db2.gz ZDOSMRNFMYXRIB-WDEREUQCSA-N 0 3 344.249 2.756 20 10 EFCDHN COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(-c3nn[n-]n3)cc2C)c1 ZINC001605302659 1097089333 /nfs/dbraw/zinc/08/93/33/1097089333.db2.gz FETOHWIQEQNKGR-LBPRGKRZSA-N 0 3 339.399 2.740 20 10 EFCDHN Cc1cc(N(C)C)ccc1C[NH2+]Cc1cccc(F)c1-c1nnn[n-]1 ZINC001605683759 1097193910 /nfs/dbraw/zinc/19/39/10/1097193910.db2.gz PUYMOZOHOFGXKS-UHFFFAOYSA-N 0 3 340.406 2.670 20 10 EFCDHN Cc1cc(N(C)C)ccc1C[NH2+]Cc1cccc(F)c1-c1nn[n-]n1 ZINC001605683759 1097193912 /nfs/dbraw/zinc/19/39/12/1097193912.db2.gz PUYMOZOHOFGXKS-UHFFFAOYSA-N 0 3 340.406 2.670 20 10 EFCDHN CN(C)c1ccc(CNC(=O)CN2CC[C@H]3CCCC[C@@H]3C2)cc1 ZINC000007241703 1098246961 /nfs/dbraw/zinc/24/69/61/1098246961.db2.gz KWTUAKRBTLANCO-QZTJIDSGSA-N 0 3 329.488 2.881 20 10 EFCDHN CN1CCN(c2ccc(CNc3cc(Cl)cc(N)n3)cc2)CC1 ZINC001167426219 1101584542 /nfs/dbraw/zinc/58/45/42/1101584542.db2.gz CDAGVXBTJRIUNB-UHFFFAOYSA-N 0 3 331.851 2.681 20 10 EFCDHN CC1CCC(N2CCN(C(=O)/C=C\c3ccc(O)c(O)c3)CC2)CC1 ZINC000588408029 1101984951 /nfs/dbraw/zinc/98/49/51/1101984951.db2.gz WQQUYVXBRVVDNV-UITAMQMPSA-N 0 3 344.455 2.834 20 10 EFCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@H](C4OCCO4)C3)c2c1 ZINC000905695679 1103542402 /nfs/dbraw/zinc/54/24/02/1103542402.db2.gz PCOYPHFLJTZGFZ-AWEZNQCLSA-N 0 3 329.396 2.749 20 10 EFCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@H](C4OCCO4)C3)c2c1 ZINC000905695679 1103542408 /nfs/dbraw/zinc/54/24/08/1103542408.db2.gz PCOYPHFLJTZGFZ-AWEZNQCLSA-N 0 3 329.396 2.749 20 10 EFCDHN CS(=O)(=O)c1ccccc1CC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000926905600 1107721295 /nfs/dbraw/zinc/72/12/95/1107721295.db2.gz MOGNTWOOUVGGQH-OAHLLOKOSA-N 0 3 331.437 2.615 20 10 EFCDHN N[C@@H]1c2ccccc2C[C@H]1[NH2+]Cc1cc(Br)ccc1[O-] ZINC000904461456 1107936346 /nfs/dbraw/zinc/93/63/46/1107936346.db2.gz JVXLROLJVBFCSA-GDBMZVCRSA-N 0 3 333.229 2.869 20 10 EFCDHN CN1CC[C@]2(CCCN2Cc2cc3c4c(c2)CCCN4CCC3)C1=O ZINC001272364987 1108078444 /nfs/dbraw/zinc/07/84/44/1108078444.db2.gz WBXLUQQJUFVEEO-OAQYLSRUSA-N 0 3 339.483 2.582 20 10 EFCDHN COC(=O)c1occc1CNC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898449873 1108944524 /nfs/dbraw/zinc/94/45/24/1108944524.db2.gz KUGTUMVHNAGZEZ-KRWDZBQOSA-N 0 3 345.443 2.525 20 10 EFCDHN [O-]c1ccc(F)cc1C[NH2+][C@@H]1CCc2ncc(Br)n2C1 ZINC000898726533 1109067499 /nfs/dbraw/zinc/06/74/99/1109067499.db2.gz ZMPFGTRZWQMUOS-LLVKDONJSA-N 0 3 340.196 2.595 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)N[C@]23C[C@H]2CCC3)N(C)C)cc1 ZINC000899095127 1109198390 /nfs/dbraw/zinc/19/83/90/1109198390.db2.gz DMLWQESJDJYQHM-HHXXYDBFSA-N 0 3 330.476 2.597 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=O)N(C)Cc2ccco2)N(C)C)cc1 ZINC000899102254 1109202893 /nfs/dbraw/zinc/20/28/93/1109202893.db2.gz PCIHRKQKEZFRDL-GOSISDBHSA-N 0 3 344.459 2.790 20 10 EFCDHN CCC1(C)CN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC000899105820 1109204531 /nfs/dbraw/zinc/20/45/31/1109204531.db2.gz ZIPTWTWKZPZRFN-KRWDZBQOSA-N 0 3 332.492 2.797 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)N2CCC3(CCC3)C2)N(C)C)cc1 ZINC000899105698 1109204768 /nfs/dbraw/zinc/20/47/68/1109204768.db2.gz YTOXVQLUERYGRZ-SFHVURJKSA-N 0 3 344.503 2.941 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)N2CCC[C@@H]3C[C@@H]32)N(C)C)cc1 ZINC000899099374 1109207436 /nfs/dbraw/zinc/20/74/36/1109207436.db2.gz ZXLQMMMXQXJLRD-NJAFHUGGSA-N 0 3 330.476 2.549 20 10 EFCDHN C[C@@H](C1CC1)N(C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899100835 1109208492 /nfs/dbraw/zinc/20/84/92/1109208492.db2.gz FDABQIXDZQHYSW-KBXCAEBGSA-N 0 3 332.492 2.795 20 10 EFCDHN C[C@H]1CN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)C[C@H]1C ZINC000899100494 1109208498 /nfs/dbraw/zinc/20/84/98/1109208498.db2.gz AGHQPJBZKZVJNE-DAYGRLMNSA-N 0 3 332.492 2.653 20 10 EFCDHN C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1ccc(N(C)C)cc1 ZINC000128498170 1109269361 /nfs/dbraw/zinc/26/93/61/1109269361.db2.gz CFNWGHNKRHQYPZ-CQSZACIVSA-N 0 3 347.484 2.593 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=S)NC2(C)CCC2)N(C)C)cc1 ZINC000899724298 1109453573 /nfs/dbraw/zinc/45/35/73/1109453573.db2.gz LZMMSGGPKWLGSI-INIZCTEOSA-N 0 3 334.533 2.762 20 10 EFCDHN CC[C@H](C)N1C(=O)C[C@@]2(CCC[N@H+](Cc3ccccc3[O-])C2)C1=O ZINC001272618627 1111752818 /nfs/dbraw/zinc/75/28/18/1111752818.db2.gz KTFGUXZCAROIEH-IFXJQAMLSA-N 0 3 330.428 2.532 20 10 EFCDHN CC[C@H](C)N1C(=O)C[C@@]2(CCC[N@@H+](Cc3ccccc3[O-])C2)C1=O ZINC001272618627 1111752825 /nfs/dbraw/zinc/75/28/25/1111752825.db2.gz KTFGUXZCAROIEH-IFXJQAMLSA-N 0 3 330.428 2.532 20 10 EFCDHN CC(C)(C)C(=O)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccccc1[O-] ZINC001272618676 1111753984 /nfs/dbraw/zinc/75/39/84/1111753984.db2.gz MLJKXMFAGJASOC-HZPDHXFCSA-N 0 3 344.455 2.573 20 10 EFCDHN CC(C)(C)C(=O)CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccccc1[O-] ZINC001272618676 1111753986 /nfs/dbraw/zinc/75/39/86/1111753986.db2.gz MLJKXMFAGJASOC-HZPDHXFCSA-N 0 3 344.455 2.573 20 10 EFCDHN CC(C)(C)C(=O)CN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1ccccc1O ZINC001272618676 1111753992 /nfs/dbraw/zinc/75/39/92/1111753992.db2.gz MLJKXMFAGJASOC-HZPDHXFCSA-N 0 3 344.455 2.573 20 10 EFCDHN CCOCCN1CC[C@]2(CCC[N@H+](Cc3ccccc3[O-])CC2)C1=O ZINC001272618674 1111754056 /nfs/dbraw/zinc/75/40/56/1111754056.db2.gz MESRJHZKEZHSMG-HXUWFJFHSA-N 0 3 346.471 2.633 20 10 EFCDHN CCOCCN1CC[C@]2(CCC[N@@H+](Cc3ccccc3[O-])CC2)C1=O ZINC001272618674 1111754060 /nfs/dbraw/zinc/75/40/60/1111754060.db2.gz MESRJHZKEZHSMG-HXUWFJFHSA-N 0 3 346.471 2.633 20 10 EFCDHN CCOCCN1CC[C@@]2(CCC[N@H+](Cc3ccccc3[O-])CC2)C1=O ZINC001272618673 1111754141 /nfs/dbraw/zinc/75/41/41/1111754141.db2.gz MESRJHZKEZHSMG-FQEVSTJZSA-N 0 3 346.471 2.633 20 10 EFCDHN CCOCCN1CC[C@@]2(CCC[N@@H+](Cc3ccccc3[O-])CC2)C1=O ZINC001272618673 1111754144 /nfs/dbraw/zinc/75/41/44/1111754144.db2.gz MESRJHZKEZHSMG-FQEVSTJZSA-N 0 3 346.471 2.633 20 10 EFCDHN O=C(NCC(F)(F)F)[C@@H]1CC12CC[NH+](Cc1ccccc1[O-])CC2 ZINC001272618919 1111754726 /nfs/dbraw/zinc/75/47/26/1111754726.db2.gz PVZJHRDGXQFBMQ-ZDUSSCGKSA-N 0 3 342.361 2.673 20 10 EFCDHN CC[C@@H](C)N1CC[C@]2(CCCN2Cc2cccc(OC)c2O)C1=O ZINC001272622649 1111759929 /nfs/dbraw/zinc/75/99/29/1111759929.db2.gz QILOGPLXMVGMNN-AUUYWEPGSA-N 0 3 332.444 2.766 20 10 EFCDHN CC[C@H](C)N1CC[C@]2(CCCN2Cc2cccc(OC)c2O)C1=O ZINC001272622651 1111760613 /nfs/dbraw/zinc/76/06/13/1111760613.db2.gz QILOGPLXMVGMNN-IFXJQAMLSA-N 0 3 332.444 2.766 20 10 EFCDHN CC(=O)[C@@H](C)N1C[C@]2(CC1=O)CCCCN2Cc1cc(C)ccc1O ZINC001272623135 1111761065 /nfs/dbraw/zinc/76/10/65/1111761065.db2.gz XPRCOJXJGLYXKH-FOIQADDNSA-N 0 3 344.455 2.635 20 10 EFCDHN CC[C@H](C)N1CC[C@@]2(CCC[N@@H+]2Cc2ccc(OC)cc2[O-])C1=O ZINC001272625886 1111767873 /nfs/dbraw/zinc/76/78/73/1111767873.db2.gz PLZWIMCGDPPCMY-LIRRHRJNSA-N 0 3 332.444 2.766 20 10 EFCDHN CC[C@H](C)N1CC[C@@]2(CCC[N@H+]2Cc2ccc(OC)cc2[O-])C1=O ZINC001272625886 1111767877 /nfs/dbraw/zinc/76/78/77/1111767877.db2.gz PLZWIMCGDPPCMY-LIRRHRJNSA-N 0 3 332.444 2.766 20 10 EFCDHN CC[C@H](C)N1CC[C@@]2(CCCN2Cc2ccc(OC)cc2O)C1=O ZINC001272625886 1111767883 /nfs/dbraw/zinc/76/78/83/1111767883.db2.gz PLZWIMCGDPPCMY-LIRRHRJNSA-N 0 3 332.444 2.766 20 10 EFCDHN C[NH2+]Cc1cc(NCc2cc(Cl)c3cccnc3c2[O-])ncn1 ZINC001168521406 1111984381 /nfs/dbraw/zinc/98/43/81/1111984381.db2.gz BCCBHTOMCPGNNH-UHFFFAOYSA-N 0 3 329.791 2.715 20 10 EFCDHN O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3cc(F)ccc3[O-])C2)nc1 ZINC000180178184 1112890647 /nfs/dbraw/zinc/89/06/47/1112890647.db2.gz PZPQWKVKPVATFJ-CYBMUJFWSA-N 0 3 332.335 2.521 20 10 EFCDHN O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3cc(F)ccc3[O-])C2)nc1 ZINC000180178184 1112890651 /nfs/dbraw/zinc/89/06/51/1112890651.db2.gz PZPQWKVKPVATFJ-CYBMUJFWSA-N 0 3 332.335 2.521 20 10 EFCDHN CCN(C)C(C)(C)C(=O)NCCC1=CCN(c2cccc(F)n2)CC1 ZINC001089849028 1118313182 /nfs/dbraw/zinc/31/31/82/1118313182.db2.gz SRAZXHXJCMLHMT-UHFFFAOYSA-N 0 3 348.466 2.594 20 10 EFCDHN COc1ccc(O)c([C@H](C)NCC(=O)N(C2CC2)C2CCCC2)c1 ZINC000182466645 1118613109 /nfs/dbraw/zinc/61/31/09/1118613109.db2.gz VPOVFCCTYMMLSO-ZDUSSCGKSA-N 0 3 332.444 2.985 20 10 EFCDHN Cc1cc(O)c(CN2CC[C@@H](F)[C@@H](O)CC2)cc1Br ZINC001237676153 1118789943 /nfs/dbraw/zinc/78/99/43/1118789943.db2.gz GGAWOHAZVFHNRR-OLZOCXBDSA-N 0 3 332.213 2.758 20 10 EFCDHN Cc1cc([O-])c(C[N@H+]2CC[C@@H](F)[C@@H](O)CC2)cc1Br ZINC001237676153 1118789945 /nfs/dbraw/zinc/78/99/45/1118789945.db2.gz GGAWOHAZVFHNRR-OLZOCXBDSA-N 0 3 332.213 2.758 20 10 EFCDHN Cc1cc([O-])c(C[N@@H+]2CC[C@@H](F)[C@@H](O)CC2)cc1Br ZINC001237676153 1118789947 /nfs/dbraw/zinc/78/99/47/1118789947.db2.gz GGAWOHAZVFHNRR-OLZOCXBDSA-N 0 3 332.213 2.758 20 10 EFCDHN Cc1ccc([C@H](C)[NH2+]Cc2ccc(S(=O)(=O)N(C)C)cc2)c([O-])c1 ZINC000185110717 1119744343 /nfs/dbraw/zinc/74/43/43/1119744343.db2.gz TXTXFVCXPMCFTR-AWEZNQCLSA-N 0 3 348.468 2.802 20 10 EFCDHN COc1ccc(-n2c(C)cc(C(=O)NCCN3CCCC3)c2C)cc1 ZINC000072937432 1120294898 /nfs/dbraw/zinc/29/48/98/1120294898.db2.gz QGZXFXYLTUJZJC-UHFFFAOYSA-N 0 3 341.455 2.928 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=O)Cc2cccs2)N(C)C)cc1 ZINC000038635164 1120556292 /nfs/dbraw/zinc/55/62/92/1120556292.db2.gz OEKCVIPUKWXFLV-QGZVFWFLSA-N 0 3 331.485 2.776 20 10 EFCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)C(=O)NCCF)c1[O-] ZINC000281931249 301070450 /nfs/dbraw/zinc/07/04/50/301070450.db2.gz BACHLFLLRBCFKM-UWVGGRQHSA-N 0 3 347.228 2.588 20 10 EFCDHN COc1cc(Cl)cc(C[NH2+][C@]2(CO)CCc3ccccc32)c1[O-] ZINC000359962603 201120609 /nfs/dbraw/zinc/12/06/09/201120609.db2.gz WCAZNIWIWDMDGH-SFHVURJKSA-N 0 3 333.815 2.978 20 10 EFCDHN O=C(NCc1ccc(N2CCCC2)cc1)N1CC[C@@H](N2CCCC2)C1 ZINC000066179664 238784541 /nfs/dbraw/zinc/78/45/41/238784541.db2.gz WFWYWGPODYQXLD-LJQANCHMSA-N 0 3 342.487 2.667 20 10 EFCDHN Cc1cc(C(=O)N2CCC[C@H](N(C)C)C2)c(C)n1-c1ccccn1 ZINC000105327132 238862961 /nfs/dbraw/zinc/86/29/61/238862961.db2.gz JEQMXKYRMCWMAP-INIZCTEOSA-N 0 3 326.444 2.655 20 10 EFCDHN [O-]c1cc2c(cc1C[NH2+]C[C@@H]1CCO[C@H]1c1ccccc1)OCO2 ZINC000192374079 240041045 /nfs/dbraw/zinc/04/10/45/240041045.db2.gz ZVFXBSXMCOHOET-LIRRHRJNSA-N 0 3 327.380 2.988 20 10 EFCDHN C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000193069246 240082228 /nfs/dbraw/zinc/08/22/28/240082228.db2.gz DVWOWIDSHSSNOI-CABCVRRESA-N 0 3 332.444 2.824 20 10 EFCDHN C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000193069246 240082232 /nfs/dbraw/zinc/08/22/32/240082232.db2.gz DVWOWIDSHSSNOI-CABCVRRESA-N 0 3 332.444 2.824 20 10 EFCDHN CCN1CCN(c2ccc(CNC[C@@H]3CCC=CO3)cc2F)CC1 ZINC000194399458 240152166 /nfs/dbraw/zinc/15/21/66/240152166.db2.gz VVKVDDSUNWVMQQ-KRWDZBQOSA-N 0 3 333.451 2.750 20 10 EFCDHN Cc1cccc(N2CCN(CCC(=O)Nc3ccc(N)cc3)CC2)c1 ZINC000237720114 240246312 /nfs/dbraw/zinc/24/63/12/240246312.db2.gz IKZZGZVOTOZWLG-UHFFFAOYSA-N 0 3 338.455 2.728 20 10 EFCDHN Nc1ccc(CC(=O)NC[C@H]2CCCN(Cc3cccs3)C2)cc1 ZINC000237904672 240249356 /nfs/dbraw/zinc/24/93/56/240249356.db2.gz CEJSXBBEXHPMCM-MRXNPFEDSA-N 0 3 343.496 2.901 20 10 EFCDHN COCCNCCNC(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C ZINC000237328769 240242975 /nfs/dbraw/zinc/24/29/75/240242975.db2.gz MKJZJAMMYDYIJI-UHFFFAOYSA-N 0 3 349.862 2.713 20 10 EFCDHN COc1cccc([C@@H](C[NH2+]Cc2cc(OC)ccc2[O-])N(C)C)c1 ZINC000237310338 240243593 /nfs/dbraw/zinc/24/35/93/240243593.db2.gz LDEMDNRYXKDCDI-GOSISDBHSA-N 0 3 330.428 2.802 20 10 EFCDHN CCN(CCNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)C1CC1 ZINC000263681388 240388920 /nfs/dbraw/zinc/38/89/20/240388920.db2.gz KQYQOXXJEKMBSD-UHFFFAOYSA-N 0 3 344.503 2.911 20 10 EFCDHN Cc1ccc([C@@H](CNC(=O)NCc2ccccc2O)N(C)C)cc1 ZINC000263768722 240392006 /nfs/dbraw/zinc/39/20/06/240392006.db2.gz SRSSFCVRGKMHAL-QGZVFWFLSA-N 0 3 327.428 2.803 20 10 EFCDHN Cc1ccc([C@H](CNC(=O)NCc2ccccc2O)N(C)C)cc1 ZINC000263767388 240393666 /nfs/dbraw/zinc/39/36/66/240393666.db2.gz SRSSFCVRGKMHAL-KRWDZBQOSA-N 0 3 327.428 2.803 20 10 EFCDHN COc1ccc(C[C@@](C)(O)C[NH2+]Cc2cccc(C)c2[O-])cc1OC ZINC000290761840 241019197 /nfs/dbraw/zinc/01/91/97/241019197.db2.gz BOEILWDEWQHHQB-HXUWFJFHSA-N 0 3 345.439 2.801 20 10 EFCDHN COC[C@@]1(C[NH2+]Cc2cc(OC)ccc2[O-])OCCc2ccccc21 ZINC000291656413 241026807 /nfs/dbraw/zinc/02/68/07/241026807.db2.gz VADXINIZVGZDLY-HXUWFJFHSA-N 0 3 343.423 2.605 20 10 EFCDHN CN(Cc1cccs1)c1ccc(CNCCn2cncn2)cc1 ZINC000296543463 241090303 /nfs/dbraw/zinc/09/03/03/241090303.db2.gz TZXWILJSCBIMGM-UHFFFAOYSA-N 0 3 327.457 2.766 20 10 EFCDHN C[C@H]1CCNC(=O)[C@H]1NCc1ccc(N(C)Cc2cccs2)cc1 ZINC000296638442 241093969 /nfs/dbraw/zinc/09/39/69/241093969.db2.gz CHNUNPARQJVJAU-KSSFIOAISA-N 0 3 343.496 2.999 20 10 EFCDHN CCS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCc3cccc([O-])c32)cc1 ZINC000297011949 241108671 /nfs/dbraw/zinc/10/86/71/241108671.db2.gz UACJDDFQZXMMDR-MRXNPFEDSA-N 0 3 331.437 2.963 20 10 EFCDHN C[C@@H]([NH2+][C@H]1CCCN(CCCO)C1)c1cc2c(cc1[O-])CCCC2 ZINC000297321061 241117493 /nfs/dbraw/zinc/11/74/93/241117493.db2.gz NIHCUEWZVVATJO-QAPCUYQASA-N 0 3 332.488 2.768 20 10 EFCDHN CN(Cc1cccs1)c1ccc(CN[C@@]2(CO)CCOC2)cc1 ZINC000295459076 241051691 /nfs/dbraw/zinc/05/16/91/241051691.db2.gz QTMLUAABXNXZNH-GOSISDBHSA-N 0 3 332.469 2.626 20 10 EFCDHN COCCO[C@H]1CCN(Cc2ccc(N3CCC(OC)CC3)cc2)C1 ZINC000295653160 241060341 /nfs/dbraw/zinc/06/03/41/241060341.db2.gz DGBVIQFBCCXZEJ-FQEVSTJZSA-N 0 3 348.487 2.539 20 10 EFCDHN O=C(NCc1ccccc1O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000299528314 241180111 /nfs/dbraw/zinc/18/01/11/241180111.db2.gz RQQOQFZALIBDFT-GOSISDBHSA-N 0 3 339.439 2.856 20 10 EFCDHN C[C@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1)c1cc2c(cc1[O-])CCCC2 ZINC000363866857 242283157 /nfs/dbraw/zinc/28/31/57/242283157.db2.gz JKKIUWOYSHRUEP-WMLDXEAASA-N 0 3 340.471 2.934 20 10 EFCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCCc3c2cnn3CCO)c([O-])c1C ZINC000363860433 242284694 /nfs/dbraw/zinc/28/46/94/242284694.db2.gz URJSCYDVROZVIR-WMLDXEAASA-N 0 3 329.444 2.926 20 10 EFCDHN Cc1ccc([C@H](C)N[C@@H]2CCCc3c2cnn3CCO)c(O)c1C ZINC000363860433 242284696 /nfs/dbraw/zinc/28/46/96/242284696.db2.gz URJSCYDVROZVIR-WMLDXEAASA-N 0 3 329.444 2.926 20 10 EFCDHN COc1cc(O)c(CN2CCC(C)(c3nc(C)no3)CC2)cc1OC ZINC000364706420 242306511 /nfs/dbraw/zinc/30/65/11/242306511.db2.gz XXAZMNZTFRNOLT-UHFFFAOYSA-N 0 3 347.415 2.655 20 10 EFCDHN Oc1cc2c(cc1CN1CCC(n3cc(Cl)cn3)CC1)OCO2 ZINC000365035708 242315136 /nfs/dbraw/zinc/31/51/36/242315136.db2.gz CLRUWFWRXVNFEQ-UHFFFAOYSA-N 0 3 335.791 2.808 20 10 EFCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2COc3ccccc3[C@@H]2O)c1[O-] ZINC000367659753 242387763 /nfs/dbraw/zinc/38/77/63/242387763.db2.gz WUNQIXOBTJYHLS-DYVFJYSZSA-N 0 3 335.787 2.638 20 10 EFCDHN CN1CCN(CC2CC[NH+](Cc3cccc(Cl)c3[O-])CC2)CC1 ZINC000367690941 242388029 /nfs/dbraw/zinc/38/80/29/242388029.db2.gz VJUZUVWLTPYELX-UHFFFAOYSA-N 0 3 337.895 2.505 20 10 EFCDHN O[C@H](CNCc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1F ZINC000071819559 203118388 /nfs/dbraw/zinc/11/83/88/203118388.db2.gz UHYNEEFPYDLJMC-LJQANCHMSA-N 0 3 348.393 2.625 20 10 EFCDHN C[C@@H]([NH2+][C@@H](C)CN1CCN(C)CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000192842755 287048662 /nfs/dbraw/zinc/04/86/62/287048662.db2.gz NMTLXAGDTDNWKK-NWDGAFQWSA-N 0 3 346.302 2.986 20 10 EFCDHN COc1ccc(N2CCCN([C@@H]3CCCN(C(C)C)C3=O)CC2)cc1 ZINC000177689351 274113488 /nfs/dbraw/zinc/11/34/88/274113488.db2.gz XWAXNBNFCBDIDC-LJQANCHMSA-N 0 3 345.487 2.607 20 10 EFCDHN CCCOc1ccc(CN2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)c(O)c1 ZINC000279089085 276019508 /nfs/dbraw/zinc/01/95/08/276019508.db2.gz ABJRLGWCYXVWED-KHYOSLBOSA-N 0 3 335.444 2.949 20 10 EFCDHN Cc1ccc(O)c([C@H](C)NCc2cccnc2N2CCOCC2)c1 ZINC000184986181 473292376 /nfs/dbraw/zinc/29/23/76/473292376.db2.gz XRFBIPGPEGTTDD-HNNXBMFYSA-N 0 3 327.428 2.783 20 10 EFCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]Cc2ccnc(N3CCN(C)CC3)c2)c1 ZINC000185041948 473310211 /nfs/dbraw/zinc/31/02/11/473310211.db2.gz PUENMRTYVWJOEV-MRXNPFEDSA-N 0 3 340.471 2.698 20 10 EFCDHN [O-]c1c(Cl)cc(Cl)cc1CNC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000112839343 473319154 /nfs/dbraw/zinc/31/91/54/473319154.db2.gz BTSQCNXGPWCNHY-OLZOCXBDSA-N 0 3 331.243 2.652 20 10 EFCDHN [O-]c1c(Cl)cc(Cl)cc1CNC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000112839343 473319161 /nfs/dbraw/zinc/31/91/61/473319161.db2.gz BTSQCNXGPWCNHY-OLZOCXBDSA-N 0 3 331.243 2.652 20 10 EFCDHN Cc1ccc([O-])c([C@H](C)[NH2+]Cc2ccc(S(=O)(=O)N(C)C)cc2)c1 ZINC000185110556 473332519 /nfs/dbraw/zinc/33/25/19/473332519.db2.gz FTWFZOGDJUMUFA-AWEZNQCLSA-N 0 3 348.468 2.802 20 10 EFCDHN Cc1ccc(O)c([C@H](C)NCc2ccc(S(=O)(=O)N(C)C)cc2)c1 ZINC000185110556 473332529 /nfs/dbraw/zinc/33/25/29/473332529.db2.gz FTWFZOGDJUMUFA-AWEZNQCLSA-N 0 3 348.468 2.802 20 10 EFCDHN COc1ccc(O)c([C@@H](C)N[C@@H]2CC(=O)N(c3ccccc3)C2)c1 ZINC000185164332 473347254 /nfs/dbraw/zinc/34/72/54/473347254.db2.gz LHUSUFSQHUVJQB-ZIAGYGMSSA-N 0 3 326.396 2.857 20 10 EFCDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CC(=O)N(c3ccccc3)C2)c1 ZINC000185164332 473347261 /nfs/dbraw/zinc/34/72/61/473347261.db2.gz LHUSUFSQHUVJQB-ZIAGYGMSSA-N 0 3 326.396 2.857 20 10 EFCDHN C[C@H]([NH2+]Cc1cccnc1N1CCN(C)CC1)c1ccc(F)cc1[O-] ZINC000185165797 473349470 /nfs/dbraw/zinc/34/94/70/473349470.db2.gz WIRZVELEXRRZPV-AWEZNQCLSA-N 0 3 344.434 2.529 20 10 EFCDHN COc1cccc(C(=O)NCC[NH2+][C@@H](C)c2ccc(C)cc2[O-])c1 ZINC000185201547 473361784 /nfs/dbraw/zinc/36/17/84/473361784.db2.gz QMKAFEMCHWEVNJ-AWEZNQCLSA-N 0 3 328.412 2.790 20 10 EFCDHN CC[C@@H]([NH2+]C[C@]1(N2CCOCC2)CCSC1)c1ccccc1[O-] ZINC000185209695 473363260 /nfs/dbraw/zinc/36/32/60/473363260.db2.gz LRRAEXLTJGZUST-SJLPKXTDSA-N 0 3 336.501 2.641 20 10 EFCDHN Cn1cncc1C[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000113359171 473387958 /nfs/dbraw/zinc/38/79/58/473387958.db2.gz HFAAWEGINJYSEC-HNNXBMFYSA-N 0 3 334.851 2.533 20 10 EFCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CCCNC(=O)c2cccc(O)c2)c1 ZINC000185303589 473389431 /nfs/dbraw/zinc/38/94/31/473389431.db2.gz IUSNHVYEVQFLDQ-CQSZACIVSA-N 0 3 328.412 2.877 20 10 EFCDHN CCOc1cccc(C[NH2+][C@@H](CO)Cc2c[nH]c3ccccc23)c1[O-] ZINC000116350336 472394604 /nfs/dbraw/zinc/39/46/04/472394604.db2.gz UUOWOUJUXCMNJG-MRXNPFEDSA-N 0 3 340.423 2.965 20 10 EFCDHN c1cc(N2CCCCC2)ccc1CN1CCN(C2CCOCC2)CC1 ZINC000129729212 472561612 /nfs/dbraw/zinc/56/16/12/472561612.db2.gz RZTQXZSHJROSJX-UHFFFAOYSA-N 0 3 343.515 2.974 20 10 EFCDHN CC[C@@H]([NH2+]C[C@@H](O)CN1CCc2ccccc2C1)c1ccccc1[O-] ZINC000121086332 472794949 /nfs/dbraw/zinc/79/49/49/472794949.db2.gz ZAWVKZGHMGKYCV-UYAOXDASSA-N 0 3 340.467 2.852 20 10 EFCDHN CCCOc1ccc(C[N@@H+]2CCC[C@H](Cn3ccnn3)C2)c([O-])c1 ZINC000092070602 472850980 /nfs/dbraw/zinc/85/09/80/472850980.db2.gz VQBUNXNCAHKFOK-HNNXBMFYSA-N 0 3 330.432 2.685 20 10 EFCDHN CCCOc1ccc(C[N@H+]2CCC[C@H](Cn3ccnn3)C2)c([O-])c1 ZINC000092070602 472850986 /nfs/dbraw/zinc/85/09/86/472850986.db2.gz VQBUNXNCAHKFOK-HNNXBMFYSA-N 0 3 330.432 2.685 20 10 EFCDHN CCCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2cccc(OC)c2[O-])C1 ZINC000092400778 472906525 /nfs/dbraw/zinc/90/65/25/472906525.db2.gz RMVAFHXOBBDKLP-HOCLYGCPSA-N 0 3 334.460 2.918 20 10 EFCDHN CCCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](Cc2cccc(OC)c2[O-])C1 ZINC000092400778 472906533 /nfs/dbraw/zinc/90/65/33/472906533.db2.gz RMVAFHXOBBDKLP-HOCLYGCPSA-N 0 3 334.460 2.918 20 10 EFCDHN CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2cccc(OC)c2[O-])C1 ZINC000092400775 472906986 /nfs/dbraw/zinc/90/69/86/472906986.db2.gz RMVAFHXOBBDKLP-GOEBONIOSA-N 0 3 334.460 2.918 20 10 EFCDHN CCCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](Cc2cccc(OC)c2[O-])C1 ZINC000092400775 472906989 /nfs/dbraw/zinc/90/69/89/472906989.db2.gz RMVAFHXOBBDKLP-GOEBONIOSA-N 0 3 334.460 2.918 20 10 EFCDHN CCOc1ccc(O)c(CN2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000092704353 472967931 /nfs/dbraw/zinc/96/79/31/472967931.db2.gz IUDAPOCZHNCXOG-CQSZACIVSA-N 0 3 336.432 2.890 20 10 EFCDHN CCOc1cccc(C[N@@H+]2CCC[C@@H](CNC(=O)C(C)C)C2)c1[O-] ZINC000092706212 472968376 /nfs/dbraw/zinc/96/83/76/472968376.db2.gz FVOYDUHHZDRHIW-HNNXBMFYSA-N 0 3 334.460 2.775 20 10 EFCDHN CCOc1cccc(C[N@H+]2CCC[C@@H](CNC(=O)C(C)C)C2)c1[O-] ZINC000092706212 472968382 /nfs/dbraw/zinc/96/83/82/472968382.db2.gz FVOYDUHHZDRHIW-HNNXBMFYSA-N 0 3 334.460 2.775 20 10 EFCDHN CCCCNC(=O)[C@H]1CCC[N@H+](Cc2cc(OCC)ccc2[O-])C1 ZINC000092710470 472970954 /nfs/dbraw/zinc/97/09/54/472970954.db2.gz JFPMEAHNDBVULY-HNNXBMFYSA-N 0 3 334.460 2.919 20 10 EFCDHN CCCCNC(=O)[C@H]1CCC[N@@H+](Cc2cc(OCC)ccc2[O-])C1 ZINC000092710470 472970959 /nfs/dbraw/zinc/97/09/59/472970959.db2.gz JFPMEAHNDBVULY-HNNXBMFYSA-N 0 3 334.460 2.919 20 10 EFCDHN C[C@@H](NCc1ccc(N(C)C)c(F)c1)c1ccc(-n2cnnn2)cc1 ZINC000122474833 473019259 /nfs/dbraw/zinc/01/92/59/473019259.db2.gz HZFKFPDVZVZJRT-CYBMUJFWSA-N 0 3 340.406 2.718 20 10 EFCDHN CCN(Cc1ccccc1)c1ccc(CNCC2(CO)COC2)cc1 ZINC000123013019 473085793 /nfs/dbraw/zinc/08/57/93/473085793.db2.gz WJSDHQKTRRBAEE-UHFFFAOYSA-N 0 3 340.467 2.812 20 10 EFCDHN [O-]c1cc2c(cc1C[N@@H+](CCO)[C@H]1CCc3ccccc31)OCO2 ZINC000093388078 473101213 /nfs/dbraw/zinc/10/12/13/473101213.db2.gz WTHICHLGBWQVPN-INIZCTEOSA-N 0 3 327.380 2.603 20 10 EFCDHN [O-]c1cc2c(cc1C[N@H+](CCO)[C@H]1CCc3ccccc31)OCO2 ZINC000093388078 473101216 /nfs/dbraw/zinc/10/12/16/473101216.db2.gz WTHICHLGBWQVPN-INIZCTEOSA-N 0 3 327.380 2.603 20 10 EFCDHN CCOc1ccc(O)c(CN(C)[C@H](CO)c2ccc(OC)cc2)c1 ZINC000093415748 473105228 /nfs/dbraw/zinc/10/52/28/473105228.db2.gz PRYGOWIBTYYEPK-GOSISDBHSA-N 0 3 331.412 2.965 20 10 EFCDHN CCOc1cccc(CN2CCCN(c3nc(C)ns3)CC2)c1O ZINC000093716844 473137419 /nfs/dbraw/zinc/13/74/19/473137419.db2.gz JQARURMOQFRFPG-UHFFFAOYSA-N 0 3 348.472 2.663 20 10 EFCDHN CCN(CC)c1ccc(CN2CCN(C[C@H]3CCOC3)CC2)cc1 ZINC000093818037 473149412 /nfs/dbraw/zinc/14/94/12/473149412.db2.gz SENVANJCLHQZMN-LJQANCHMSA-N 0 3 331.504 2.687 20 10 EFCDHN CCc1nsc(N2CCCN(Cc3cc(C)ccc3O)CC2)n1 ZINC000093871619 473156477 /nfs/dbraw/zinc/15/64/77/473156477.db2.gz ZBSMLFRAIZSFNT-UHFFFAOYSA-N 0 3 332.473 2.827 20 10 EFCDHN Cc1nn(C)c(C)c1CN(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000111233025 473197933 /nfs/dbraw/zinc/19/79/33/473197933.db2.gz VPZXCNJLNKVCGB-KRWDZBQOSA-N 0 3 329.444 2.924 20 10 EFCDHN C[C@@H]([NH2+]C[C@H](C)CN1CCN(C)CC1)c1cc2c(cc1[O-])CCCC2 ZINC000185344247 473399413 /nfs/dbraw/zinc/39/94/13/473399413.db2.gz DJXJXAFNGUUZPE-DLBZAZTESA-N 0 3 345.531 2.805 20 10 EFCDHN Cc1ncc([C@H](C)NCc2ccc(N3CCOCC3)cc2)c(C)n1 ZINC000151063149 473403393 /nfs/dbraw/zinc/40/33/93/473403393.db2.gz QQLKMVZEGOBJNT-AWEZNQCLSA-N 0 3 326.444 2.781 20 10 EFCDHN CC[C@H](NCc1ccc(N2CCC(CO)CC2)cc1)c1cnn(C)c1 ZINC000151559481 473472837 /nfs/dbraw/zinc/47/28/37/473472837.db2.gz MBLDGVBGPNNDSN-FQEVSTJZSA-N 0 3 342.487 2.870 20 10 EFCDHN Cc1cc(C(=O)N(C)C[C@@H]2CCCN(C)C2)c(C)n1-c1ccccn1 ZINC000115441731 473570123 /nfs/dbraw/zinc/57/01/23/473570123.db2.gz UKOTUADLNUGFPB-QGZVFWFLSA-N 0 3 340.471 2.903 20 10 EFCDHN C[C@@H]([NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1)c1cc(F)ccc1[O-] ZINC000186127734 473596304 /nfs/dbraw/zinc/59/63/04/473596304.db2.gz CFPSLZNNVZSFOR-FMEYXAORSA-N 0 3 336.451 2.950 20 10 EFCDHN C[C@@H]([NH2+][C@@H]1CCCN(CC(F)(F)F)C1=O)c1cc(F)ccc1[O-] ZINC000186144721 473599903 /nfs/dbraw/zinc/59/99/03/473599903.db2.gz HRVULQDTYMUXDU-BXKDBHETSA-N 0 3 334.313 2.735 20 10 EFCDHN O=C1NCCN1C1CCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000127567442 473627634 /nfs/dbraw/zinc/62/76/34/473627634.db2.gz VGQBLUZZKZCFGS-UHFFFAOYSA-N 0 3 342.487 2.667 20 10 EFCDHN Cc1ncsc1/C=C/C(=O)N1C[C@@H](N(C)C)Cc2ccccc21 ZINC000186478576 473679406 /nfs/dbraw/zinc/67/94/06/473679406.db2.gz ZHXRWCLKKMRIEN-HVHJFMEUSA-N 0 3 327.453 2.984 20 10 EFCDHN Cc1cc(Br)cc(CN2CCC(CC(N)=O)CC2)c1O ZINC000179720126 473713472 /nfs/dbraw/zinc/71/34/72/473713472.db2.gz AWEWRWDSALIZIT-UHFFFAOYSA-N 0 3 341.249 2.551 20 10 EFCDHN C[C@H](NC(=O)NCc1ccccc1O)[C@@H](c1ccccc1)N(C)C ZINC000287695014 473737096 /nfs/dbraw/zinc/73/70/96/473737096.db2.gz XHKBKRCUMZUBFH-KSSFIOAISA-N 0 3 327.428 2.883 20 10 EFCDHN COc1ccccc1N1CC[C@@H]([NH2+][C@@H](C)c2ccccc2[O-])C1=O ZINC000179888724 473749307 /nfs/dbraw/zinc/74/93/07/473749307.db2.gz BUOKMEQQJHDNKB-DZGCQCFKSA-N 0 3 326.396 2.857 20 10 EFCDHN CC(C)OC(=O)C[C@@H]1CCCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000274232935 473768530 /nfs/dbraw/zinc/76/85/30/473768530.db2.gz UPPGAWFSGCITPL-ZDUSSCGKSA-N 0 3 335.400 2.675 20 10 EFCDHN CCN(C)c1ccc([C@@H](C)NC[C@@H]2COC3(CCOCC3)O2)cc1 ZINC000179996606 473772076 /nfs/dbraw/zinc/77/20/76/473772076.db2.gz VOUSNGGAHBKDIQ-CRAIPNDOSA-N 0 3 334.460 2.715 20 10 EFCDHN COc1ccc(O)c(CN(C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000180067887 473790525 /nfs/dbraw/zinc/79/05/25/473790525.db2.gz SQMMTACPROJMOF-CQSZACIVSA-N 0 3 336.432 2.842 20 10 EFCDHN C[C@@H](CN(C)C)NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000288037354 473832085 /nfs/dbraw/zinc/83/20/85/473832085.db2.gz ODQNCYCAGCQWAT-INIZCTEOSA-N 0 3 332.492 2.768 20 10 EFCDHN Cc1cc(Br)cc(CN2CC[C@H](C[NH+](C)C)C2)c1[O-] ZINC000180230004 473833717 /nfs/dbraw/zinc/83/37/17/473833717.db2.gz GGCKISAZPWNTSE-GFCCVEGCSA-N 0 3 327.266 2.847 20 10 EFCDHN O=C(Nc1cccc(CC[NH+]2CCCC2)c1)c1cccc(O)c1[O-] ZINC000187218083 473838257 /nfs/dbraw/zinc/83/82/57/473838257.db2.gz CQICZKCLOGXDNS-UHFFFAOYSA-N 0 3 326.396 2.988 20 10 EFCDHN COCC[C@](C)(O)C[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-] ZINC000187214910 473838282 /nfs/dbraw/zinc/83/82/82/473838282.db2.gz VKARHEOVAKHWGL-ABAIWWIYSA-N 0 3 346.265 2.901 20 10 EFCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CC(=O)NCC2CC2)c1[O-] ZINC000187530810 473881444 /nfs/dbraw/zinc/88/14/44/473881444.db2.gz VPVBZOALIGRRAN-SNVBAGLBSA-N 0 3 341.249 2.640 20 10 EFCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@H](C)C[S@](C)=O)c1[O-] ZINC000187540827 473883030 /nfs/dbraw/zinc/88/30/30/473883030.db2.gz LKISPBIXTZTTJJ-MHNGPXOMSA-N 0 3 334.279 2.881 20 10 EFCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H](C)C(=O)NCCF)c1[O-] ZINC000281933045 473888818 /nfs/dbraw/zinc/88/88/18/473888818.db2.gz BACHLFLLRBCFKM-ZJUUUORDSA-N 0 3 347.228 2.588 20 10 EFCDHN CCc1nsc(N2CCCN(Cc3cc(OC)ccc3O)CC2)n1 ZINC000180672244 473937970 /nfs/dbraw/zinc/93/79/70/473937970.db2.gz FPFVWOUPPQLRKF-UHFFFAOYSA-N 0 3 348.472 2.527 20 10 EFCDHN Cc1cc(Br)cc(CN(C)CCNC(=O)C(C)C)c1O ZINC000180796870 473967706 /nfs/dbraw/zinc/96/77/06/473967706.db2.gz XHDVPADWXPUUTG-UHFFFAOYSA-N 0 3 343.265 2.667 20 10 EFCDHN C[NH+]1CCC(Nc2ccccc2NC(=O)c2cccc(O)c2[O-])CC1 ZINC000188366834 474072102 /nfs/dbraw/zinc/07/21/02/474072102.db2.gz HAYBDBINCSNHJJ-UHFFFAOYSA-N 0 3 341.411 2.856 20 10 EFCDHN COc1cccc(C[NH2+][C@@H](C)Cn2cc(Br)cn2)c1[O-] ZINC000289381433 474246665 /nfs/dbraw/zinc/24/66/65/474246665.db2.gz CNVIDSBPWDDYKV-JTQLQIEISA-N 0 3 340.221 2.538 20 10 EFCDHN COC(=O)[C@@H](C)Oc1ccc(CNCc2cccc(OC)c2O)cc1 ZINC000289443141 474273236 /nfs/dbraw/zinc/27/32/36/474273236.db2.gz MCKZGXVBXHUGAR-CYBMUJFWSA-N 0 3 345.395 2.631 20 10 EFCDHN COC(=O)[C@@H](C)Oc1ccc(C[NH2+]Cc2cccc(OC)c2[O-])cc1 ZINC000289443141 474273240 /nfs/dbraw/zinc/27/32/40/474273240.db2.gz MCKZGXVBXHUGAR-CYBMUJFWSA-N 0 3 345.395 2.631 20 10 EFCDHN Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2Cc1cc2c(cc1O)OCO2 ZINC000283048039 474284219 /nfs/dbraw/zinc/28/42/19/474284219.db2.gz OQAJUEJXNSIONK-CABCVRRESA-N 0 3 339.395 2.675 20 10 EFCDHN CCOCc1cc(CN[C@H]2CCO[C@@H]2c2nccn2C)ccc1OC ZINC000275707280 474290269 /nfs/dbraw/zinc/29/02/69/474290269.db2.gz YBCLRFKEZYCYBB-WMZOPIPTSA-N 0 3 345.443 2.585 20 10 EFCDHN COc1cc(O)c(CN(CCN(C)C)Cc2ccco2)cc1OC ZINC000289574081 474328748 /nfs/dbraw/zinc/32/87/48/474328748.db2.gz ZYIFWGDLCWUDKE-UHFFFAOYSA-N 0 3 334.416 2.566 20 10 EFCDHN CC(C)[C@@H](C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)N1CCCCC1 ZINC000183448444 474380375 /nfs/dbraw/zinc/38/03/75/474380375.db2.gz CPQDZGASXLLJQT-KSSFIOAISA-N 0 3 334.460 2.656 20 10 EFCDHN CC(C)N1CCCN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000265927450 474388602 /nfs/dbraw/zinc/38/86/02/474388602.db2.gz IGCBLYVECQZOCO-UHFFFAOYSA-N 0 3 342.487 2.689 20 10 EFCDHN COC[C@]1(CNCc2ccc(N(C)C)cc2)OCCc2ccccc21 ZINC000289738588 474402567 /nfs/dbraw/zinc/40/25/67/474402567.db2.gz GQQGXDMZEJGJEB-NRFANRHFSA-N 0 3 340.467 2.957 20 10 EFCDHN Cc1cn[nH]c1CNCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000289742339 474406841 /nfs/dbraw/zinc/40/68/41/474406841.db2.gz DZVKXVIEZVMMOU-KBPBESRZSA-N 0 3 332.423 2.761 20 10 EFCDHN CCN1CCC(NC(=O)NCc2c(O)ccc3c2CCCC3)CC1 ZINC000266129726 474419880 /nfs/dbraw/zinc/41/98/80/474419880.db2.gz QSSHLTIVHJYDKV-UHFFFAOYSA-N 0 3 331.460 2.555 20 10 EFCDHN CCCOc1ccc(C[NH+]2CCC3(C[C@H]3C(=O)OC)CC2)c([O-])c1 ZINC000271199720 474437762 /nfs/dbraw/zinc/43/77/62/474437762.db2.gz SRNYXCHOSKDEBB-INIZCTEOSA-N 0 3 333.428 2.956 20 10 EFCDHN COc1cccc(CN[C@H]2CCCN(C3CCCCC3)C2=O)c1O ZINC000276250890 474468924 /nfs/dbraw/zinc/46/89/24/474468924.db2.gz WFWCBVNPUPPWEM-INIZCTEOSA-N 0 3 332.444 2.814 20 10 EFCDHN COc1ccc([C@H](OC)[C@@H](C)[NH2+]Cc2cc3c(cc2[O-])OCO3)cc1 ZINC000271470803 474562111 /nfs/dbraw/zinc/56/21/11/474562111.db2.gz HCQZHTYRKCMMPI-CWTRNNRKSA-N 0 3 345.395 2.995 20 10 EFCDHN CCn1nccc1N1CCC[C@H](NCc2ccc(OC)c(C)c2)C1=O ZINC000276590349 474566003 /nfs/dbraw/zinc/56/60/03/474566003.db2.gz DICRVBCKEJIKIW-INIZCTEOSA-N 0 3 342.443 2.505 20 10 EFCDHN CCCNC(=O)[C@H]1CCC[N@H+](Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000184685734 474582923 /nfs/dbraw/zinc/58/29/23/474582923.db2.gz CDNPIMGRLDYJLB-LBPRGKRZSA-N 0 3 340.851 2.792 20 10 EFCDHN CCCNC(=O)[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000184685734 474582928 /nfs/dbraw/zinc/58/29/28/474582928.db2.gz CDNPIMGRLDYJLB-LBPRGKRZSA-N 0 3 340.851 2.792 20 10 EFCDHN COc1cc([O-])c(C[NH2+][C@@H](C)[C@H](O)c2cccc(F)c2)cc1OC ZINC000271792844 474591745 /nfs/dbraw/zinc/59/17/45/474591745.db2.gz HGDREZATUJMDPW-VOJFVSQTSA-N 0 3 335.375 2.760 20 10 EFCDHN COc1cc(O)c(CN[C@H](C)c2ccc([S@](C)=O)cc2)cc1OC ZINC000271864952 474596533 /nfs/dbraw/zinc/59/65/33/474596533.db2.gz WACRGBMRCIPHKG-YYUOZPCZSA-N 0 3 349.452 2.998 20 10 EFCDHN COc1c([O-])c(CNc2cccc(C[NH+](C)C)c2)ccc1[N+](=O)[O-] ZINC000278104928 474601143 /nfs/dbraw/zinc/60/11/43/474601143.db2.gz ACEURCICRIHBKG-UHFFFAOYSA-N 0 3 331.372 2.983 20 10 EFCDHN C[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000278152440 474601906 /nfs/dbraw/zinc/60/19/06/474601906.db2.gz AGQBSLMZPRPLQE-SNVBAGLBSA-N 0 3 333.259 2.806 20 10 EFCDHN COc1c([O-])c(CN2CCC[C@H]([NH+]3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000278159831 474602583 /nfs/dbraw/zinc/60/25/83/474602583.db2.gz DMCYRZHKIKOYIQ-HNNXBMFYSA-N 0 3 349.431 2.759 20 10 EFCDHN C[C@H]([NH2+]C[C@H](O)CN1CCCC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000278244753 474603852 /nfs/dbraw/zinc/60/38/52/474603852.db2.gz LUNIBVPHMIQTDJ-QWRGUYRKSA-N 0 3 333.259 2.806 20 10 EFCDHN C[C@H](NC[C@H](O)C[NH+]1CCCC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000278244753 474603858 /nfs/dbraw/zinc/60/38/58/474603858.db2.gz LUNIBVPHMIQTDJ-QWRGUYRKSA-N 0 3 333.259 2.806 20 10 EFCDHN COc1c([O-])c(C[N@@H+]2CCC[C@@H]2CN2CCCCC2)ccc1[N+](=O)[O-] ZINC000278304759 474606358 /nfs/dbraw/zinc/60/63/58/474606358.db2.gz WBTLGFXYVCDGAX-OAHLLOKOSA-N 0 3 349.431 2.759 20 10 EFCDHN COc1c([O-])c(C[N@H+]2CCC[C@@H]2CN2CCCCC2)ccc1[N+](=O)[O-] ZINC000278304759 474606361 /nfs/dbraw/zinc/60/63/61/474606361.db2.gz WBTLGFXYVCDGAX-OAHLLOKOSA-N 0 3 349.431 2.759 20 10 EFCDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@H](C(C)C)N2CCN(C)CC2)c([O-])c1 ZINC000284279407 474609611 /nfs/dbraw/zinc/60/96/11/474609611.db2.gz XHNXNCSDKMMCCQ-ZWKOTPCHSA-N 0 3 333.520 2.932 20 10 EFCDHN Cc1cc(C(=O)N2CC[C@@H]3CCN(C)C[C@H]32)c(C)n1-c1ccccn1 ZINC000272481247 474612646 /nfs/dbraw/zinc/61/26/46/474612646.db2.gz MCWFSSSIKCBSJX-FUHWJXTLSA-N 0 3 338.455 2.655 20 10 EFCDHN C[N@@H+]1CC[C@H]2CCN(Cc3cc(Br)ccc3[O-])[C@H]2C1 ZINC000272551519 474616486 /nfs/dbraw/zinc/61/64/86/474616486.db2.gz DAAGQNIRDMXMCT-FZMZJTMJSA-N 0 3 325.250 2.681 20 10 EFCDHN C[N@H+]1CC[C@H]2CCN(Cc3cc(Br)ccc3[O-])[C@H]2C1 ZINC000272551519 474616490 /nfs/dbraw/zinc/61/64/90/474616490.db2.gz DAAGQNIRDMXMCT-FZMZJTMJSA-N 0 3 325.250 2.681 20 10 EFCDHN CN1CCCc2cc(CN[C@@H]3CCC[C@H](S(C)(=O)=O)C3)ccc21 ZINC000284309496 474616686 /nfs/dbraw/zinc/61/66/86/474616686.db2.gz ZFUFGVZGKVGWNR-SJORKVTESA-N 0 3 336.501 2.514 20 10 EFCDHN C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1CO)c1ccccc1[O-] ZINC000272819726 474626283 /nfs/dbraw/zinc/62/62/83/474626283.db2.gz FMBRSHZOKMFQPX-QRFRQXIXSA-N 0 3 340.467 2.926 20 10 EFCDHN Cc1cc(C)nc(N2CCN(Cc3cc(C)c(C)cc3O)CC2)n1 ZINC000272878983 474632652 /nfs/dbraw/zinc/63/26/52/474632652.db2.gz XJCUVGQBAFVIAB-UHFFFAOYSA-N 0 3 326.444 2.738 20 10 EFCDHN CCOc1ccc(O)c(CN2CCC[C@H]([C@H](O)C(F)(F)F)C2)c1 ZINC000278424417 474641105 /nfs/dbraw/zinc/64/11/05/474641105.db2.gz SAVZKVDFRJIECH-NHYWBVRUSA-N 0 3 333.350 2.926 20 10 EFCDHN COc1c([O-])c(CNCC(C)(C)C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000278441625 474645145 /nfs/dbraw/zinc/64/51/45/474645145.db2.gz WEJMMEGYWXLZDC-UHFFFAOYSA-N 0 3 337.420 2.521 20 10 EFCDHN COc1c([O-])c(C[NH2+]CC(C)(C)CN2CCCC2)ccc1[N+](=O)[O-] ZINC000278441625 474645148 /nfs/dbraw/zinc/64/51/48/474645148.db2.gz WEJMMEGYWXLZDC-UHFFFAOYSA-N 0 3 337.420 2.521 20 10 EFCDHN CS(=O)(=O)C[C@H]1CCN(Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000292885788 474695557 /nfs/dbraw/zinc/69/55/57/474695557.db2.gz YHRUBHFJKLMYGM-HNNXBMFYSA-N 0 3 345.464 2.926 20 10 EFCDHN [O-]c1c(Cl)cc(Cl)cc1CNC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252666760 474705347 /nfs/dbraw/zinc/70/53/47/474705347.db2.gz BTSQCNXGPWCNHY-STQMWFEESA-N 0 3 331.243 2.652 20 10 EFCDHN [O-]c1c(Cl)cc(Cl)cc1CNC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252666760 474705354 /nfs/dbraw/zinc/70/53/54/474705354.db2.gz BTSQCNXGPWCNHY-STQMWFEESA-N 0 3 331.243 2.652 20 10 EFCDHN C[C@H]([NH2+]Cc1cc2c(cc1[O-])OCO2)[C@@H]1OCCc2sccc21 ZINC000291826528 474705431 /nfs/dbraw/zinc/70/54/31/474705431.db2.gz ZUNUKMQMVRTLMD-BTDLBPIBSA-N 0 3 333.409 2.975 20 10 EFCDHN C[C@@H]([NH2+]Cc1cc2c(cc1[O-])OCO2)[C@@H]1OCCc2sccc21 ZINC000291826538 474705546 /nfs/dbraw/zinc/70/55/46/474705546.db2.gz ZUNUKMQMVRTLMD-QGHHPUGFSA-N 0 3 333.409 2.975 20 10 EFCDHN C[N@H+](CCC(=O)c1ccc2c(c1)OCCO2)Cc1ccccc1[O-] ZINC000278584680 474719146 /nfs/dbraw/zinc/71/91/46/474719146.db2.gz YMRSGEYCZMLHHS-UHFFFAOYSA-N 0 3 327.380 2.868 20 10 EFCDHN C[N@@H+](CCC(=O)c1ccc2c(c1)OCCO2)Cc1ccccc1[O-] ZINC000278584680 474719150 /nfs/dbraw/zinc/71/91/50/474719150.db2.gz YMRSGEYCZMLHHS-UHFFFAOYSA-N 0 3 327.380 2.868 20 10 EFCDHN COC[C@@H](C[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-])OC ZINC000273127148 474732606 /nfs/dbraw/zinc/73/26/06/474732606.db2.gz AVDZBIDRXRKWND-GOSISDBHSA-N 0 3 331.412 2.722 20 10 EFCDHN CCN(CC)c1ccc(CNC(=O)N2CC[C@]3(CCN(C)C3)C2)cc1 ZINC000291938985 474763248 /nfs/dbraw/zinc/76/32/48/474763248.db2.gz MSLHSOBLQCSZBG-FQEVSTJZSA-N 0 3 344.503 2.770 20 10 EFCDHN CCO[C@@H]1C[C@@H](O)C12CCN(Cc1ccc(N(C)C)c(C)c1)CC2 ZINC000293026999 474773191 /nfs/dbraw/zinc/77/31/91/474773191.db2.gz IRLFWMORFQRUMR-RTBURBONSA-N 0 3 332.488 2.813 20 10 EFCDHN Cc1ccc(CNCc2ccc(N3CCCCC3)cc2)c(=O)n1C ZINC000278700069 474783172 /nfs/dbraw/zinc/78/31/72/474783172.db2.gz JNZTYRCNDZCTHZ-UHFFFAOYSA-N 0 3 325.456 2.974 20 10 EFCDHN CCCN(Cc1ccccc1O)C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000268113588 474805120 /nfs/dbraw/zinc/80/51/20/474805120.db2.gz DCGGEVNBAGTGBW-YOEHRIQHSA-N 0 3 331.460 2.797 20 10 EFCDHN COc1ccc([O-])c([C@H](C)[NH2+]CCNC(=O)c2cccc(C)c2)c1 ZINC000273300110 474831911 /nfs/dbraw/zinc/83/19/11/474831911.db2.gz BBTJPFRGZRZPOP-AWEZNQCLSA-N 0 3 328.412 2.790 20 10 EFCDHN Cc1ccc([C@H](C)[NH2+]Cc2ccc(N3CCOCC3)nc2)c([O-])c1 ZINC000273422132 474890967 /nfs/dbraw/zinc/89/09/67/474890967.db2.gz SMKNIPNWELYUDH-HNNXBMFYSA-N 0 3 327.428 2.783 20 10 EFCDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@]2(O)CCO[C@@H]2C)c1[O-] ZINC000278910553 474909660 /nfs/dbraw/zinc/90/96/60/474909660.db2.gz VRWLJMQTKNGSNR-FIXISWKDSA-N 0 3 344.249 2.654 20 10 EFCDHN COC(=O)[C@]1(C(F)(F)F)CCN(Cc2cc(C)c(C)cc2O)C1 ZINC000285208728 474929642 /nfs/dbraw/zinc/92/96/42/474929642.db2.gz WVXNSNHLQFNXMI-HNNXBMFYSA-N 0 3 331.334 2.936 20 10 EFCDHN Cc1ccc([C@H](C)[NH2+]Cc2cccc(OCC(N)=O)c2)c([O-])c1C ZINC000273584478 474975927 /nfs/dbraw/zinc/97/59/27/474975927.db2.gz NLPILEJTXHKEPY-AWEZNQCLSA-N 0 3 328.412 2.724 20 10 EFCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@H](O)c2cc(OC)cc(OC)c2)c1 ZINC000273591171 474979607 /nfs/dbraw/zinc/97/96/07/474979607.db2.gz PGVWCDGGVQXBJW-HXPMCKFVSA-N 0 3 347.411 2.802 20 10 EFCDHN CC[C@H]([NH2+]Cc1cccc(OCC(N)=O)c1)c1ccc(C)cc1[O-] ZINC000279933211 475000934 /nfs/dbraw/zinc/00/09/34/475000934.db2.gz AWJORKLMDCLXOG-KRWDZBQOSA-N 0 3 328.412 2.806 20 10 EFCDHN CC[C@@H]([NH2+]Cc1cccc(S(=O)(=O)NC)c1)c1ccc(C)cc1[O-] ZINC000279961871 475002698 /nfs/dbraw/zinc/00/26/98/475002698.db2.gz CJUKAPQPDACQDW-QGZVFWFLSA-N 0 3 348.468 2.850 20 10 EFCDHN CC[C@@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1=O)c1ccc(C)cc1[O-] ZINC000280226849 475014969 /nfs/dbraw/zinc/01/49/69/475014969.db2.gz VAHNQTTZKLFQTR-OLZOCXBDSA-N 0 3 330.350 2.905 20 10 EFCDHN CN(C)c1ccc(CN2CCC[C@H](CC(N)=O)C2)c(C(F)(F)F)c1 ZINC000280300103 475019202 /nfs/dbraw/zinc/01/92/02/475019202.db2.gz PMBVGESVPKMAKI-GFCCVEGCSA-N 0 3 343.393 2.859 20 10 EFCDHN CNC(=O)[C@H]1CCCN(Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000280347339 475020395 /nfs/dbraw/zinc/02/03/95/475020395.db2.gz SXCSHPXUAXBZPP-ZDUSSCGKSA-N 0 3 343.393 2.729 20 10 EFCDHN C[C@H]([NH2+]CCn1cc(Br)cn1)c1cc(F)ccc1[O-] ZINC000285784823 475040667 /nfs/dbraw/zinc/04/06/67/475040667.db2.gz UWJCVOOGLBESPZ-VIFPVBQESA-N 0 3 328.185 2.841 20 10 EFCDHN C[C@H](Cn1ccnc1)N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000268816800 475043014 /nfs/dbraw/zinc/04/30/14/475043014.db2.gz MOYSJXYFUVOSQZ-CABCVRRESA-N 0 3 332.423 2.598 20 10 EFCDHN CC[C@@H]([NH2+]CCCCN1CCN(CC)CC1)c1ccc(F)cc1[O-] ZINC000285850883 475044684 /nfs/dbraw/zinc/04/46/84/475044684.db2.gz XWLDYNYQQXYWCU-GOSISDBHSA-N 0 3 337.483 2.990 20 10 EFCDHN C[C@@H](NCc1ccc(NS(C)(=O)=O)cc1)c1ccc(N(C)C)cc1 ZINC000268867306 475046527 /nfs/dbraw/zinc/04/65/27/475046527.db2.gz WYBFNXYNWOZMGL-CQSZACIVSA-N 0 3 347.484 2.975 20 10 EFCDHN COc1cc([O-])c(C[N@@H+]2CC3(CCOCC3)[C@H]2C2CC2)cc1OC ZINC000293667561 475047082 /nfs/dbraw/zinc/04/70/82/475047082.db2.gz OLWPBVDQFXWKGE-GOSISDBHSA-N 0 3 333.428 2.800 20 10 EFCDHN COc1cc([O-])c(C[N@H+]2CC3(CCOCC3)[C@H]2C2CC2)cc1OC ZINC000293667561 475047090 /nfs/dbraw/zinc/04/70/90/475047090.db2.gz OLWPBVDQFXWKGE-GOSISDBHSA-N 0 3 333.428 2.800 20 10 EFCDHN CN(C)CCN(Cc1ccccc1F)C(=O)Cc1ccc(N)cc1 ZINC000286013824 475048205 /nfs/dbraw/zinc/04/82/05/475048205.db2.gz JLRHUVYBHLDUPT-UHFFFAOYSA-N 0 3 329.419 2.541 20 10 EFCDHN O=C(NC1CC1)N[C@H]1CCN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC000273768529 475048964 /nfs/dbraw/zinc/04/89/64/475048964.db2.gz QLSGTPQAOSJMLE-SFHVURJKSA-N 0 3 342.487 2.713 20 10 EFCDHN CCCN(CCC)c1ccc(CN[C@H]2CCS(=O)(=O)[C@H]2C)cc1 ZINC000293776761 475052500 /nfs/dbraw/zinc/05/25/00/475052500.db2.gz BNNMNJVXFCGCDS-YJBOKZPZSA-N 0 3 338.517 2.978 20 10 EFCDHN CSC[C@@](C)(O)CNCc1ccc(N(C)C)cc1C(F)(F)F ZINC000280884599 475054947 /nfs/dbraw/zinc/05/49/47/475054947.db2.gz NJZXMPXVUZIFTB-AWEZNQCLSA-N 0 3 336.423 2.975 20 10 EFCDHN CNC(=O)[C@@]1(C)CCN(Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000280897888 475055691 /nfs/dbraw/zinc/05/56/91/475055691.db2.gz FARRSCSDDLMWLT-INIZCTEOSA-N 0 3 343.393 2.729 20 10 EFCDHN CNC(=O)[C@]1(C)CCN(Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000280897895 475056481 /nfs/dbraw/zinc/05/64/81/475056481.db2.gz FARRSCSDDLMWLT-MRXNPFEDSA-N 0 3 343.393 2.729 20 10 EFCDHN COc1cccc(C[NH2+][C@@H](C)C2CN(C(=O)OC(C)(C)C)C2)c1[O-] ZINC000293927777 475059608 /nfs/dbraw/zinc/05/96/08/475059608.db2.gz NEQIUXKQUTWSDO-LBPRGKRZSA-N 0 3 336.432 2.746 20 10 EFCDHN COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)N2Cc2ccc(N(C)C)c(C)c2)O1 ZINC000294307853 475065730 /nfs/dbraw/zinc/06/57/30/475065730.db2.gz XHAHCNZEMULSNW-VLQPXKRTSA-N 0 3 346.471 2.744 20 10 EFCDHN COC1CCN(c2ccc(CN3CCC4(CC3)OCCO4)cc2)CC1 ZINC000294804682 475084314 /nfs/dbraw/zinc/08/43/14/475084314.db2.gz CKGLLPATKBERFF-UHFFFAOYSA-N 0 3 346.471 2.641 20 10 EFCDHN COC1CCN(c2ccc(CNC3(C(N)=O)CCCCC3)cc2)CC1 ZINC000294888430 475090472 /nfs/dbraw/zinc/09/04/72/475090472.db2.gz GRWSHWBNGOTZAY-UHFFFAOYSA-N 0 3 345.487 2.580 20 10 EFCDHN CN(C)c1ccc(CN(C[C@H](O)COCC(F)(F)F)C2CC2)cc1 ZINC000292576320 475095698 /nfs/dbraw/zinc/09/56/98/475095698.db2.gz ZBUWWVMHIVJRKU-INIZCTEOSA-N 0 3 346.393 2.657 20 10 EFCDHN COC[C@]1(C(=O)OC)CC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000295006870 475096796 /nfs/dbraw/zinc/09/67/96/475096796.db2.gz JCDWJBFLNPLNLX-IBGZPJMESA-N 0 3 329.396 2.557 20 10 EFCDHN COC[C@]1(C(=O)OC)CC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000295006870 475096803 /nfs/dbraw/zinc/09/68/03/475096803.db2.gz JCDWJBFLNPLNLX-IBGZPJMESA-N 0 3 329.396 2.557 20 10 EFCDHN COc1cccc(C[N@H+](C)C2CC(NC(=O)OC(C)(C)C)C2)c1[O-] ZINC000295062609 475100608 /nfs/dbraw/zinc/10/06/08/475100608.db2.gz QKQPBMSTSHAHEG-UHFFFAOYSA-N 0 3 336.432 2.888 20 10 EFCDHN COc1cccc(C[N@@H+](C)C2CC(NC(=O)OC(C)(C)C)C2)c1[O-] ZINC000295062609 475100615 /nfs/dbraw/zinc/10/06/15/475100615.db2.gz QKQPBMSTSHAHEG-UHFFFAOYSA-N 0 3 336.432 2.888 20 10 EFCDHN CCN1CCN(c2ccc(CNCc3ccncc3C)cc2F)CC1 ZINC000295189148 475110833 /nfs/dbraw/zinc/11/08/33/475110833.db2.gz NVDRKDJVVHFORZ-UHFFFAOYSA-N 0 3 342.462 2.961 20 10 EFCDHN CCN1CCN(c2ccc(CN[C@@H]3C[C@@H](C)O[C@H]3C)cc2F)CC1 ZINC000295270905 475117700 /nfs/dbraw/zinc/11/77/00/475117700.db2.gz VPRUCSUTAPJSDU-RVKKMQEKSA-N 0 3 335.467 2.623 20 10 EFCDHN COc1cc([N+](=O)[O-])c(N2CC[C@@]3(C2)CCCN(C)C3)cc1OC ZINC000292642158 475131089 /nfs/dbraw/zinc/13/10/89/475131089.db2.gz AZXMGWCOQZNJGM-KRWDZBQOSA-N 0 3 335.404 2.534 20 10 EFCDHN C[C@H]1[C@@H](NC(=O)NCc2ccccc2O)CCN1Cc1ccccc1 ZINC000287452659 475153719 /nfs/dbraw/zinc/15/37/19/475153719.db2.gz IEAOOZRQTUZKCW-YJBOKZPZSA-N 0 3 339.439 2.854 20 10 EFCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@@H](O)COc1ccc(F)c(F)c1)CC2 ZINC000297606322 475827150 /nfs/dbraw/zinc/82/71/50/475827150.db2.gz IICRLJJVIGBNMU-MLGOLLRUSA-N 0 3 335.350 2.687 20 10 EFCDHN CN(C)c1ccc(CN2CCCN(c3ncccc3F)CC2)cc1 ZINC000369037493 476385130 /nfs/dbraw/zinc/38/51/30/476385130.db2.gz XPRQOQOAQZANCU-UHFFFAOYSA-N 0 3 328.435 2.999 20 10 EFCDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3ccccc3C(N)=O)C2)c([O-])c1 ZINC000373255283 476389085 /nfs/dbraw/zinc/38/90/85/476389085.db2.gz JLMNOHFRZNYDRC-HUUCEWRRSA-N 0 3 339.439 2.729 20 10 EFCDHN Cc1ccc([O-])c(C[N@@H+]2CCCC[C@@H]2COC(=O)N[C@@H]2CCOC2)c1 ZINC000377689507 476522788 /nfs/dbraw/zinc/52/27/88/476522788.db2.gz CCVKEXHEDKNFCL-IAGOWNOFSA-N 0 3 348.443 2.570 20 10 EFCDHN Cc1ccc([O-])c(C[N@H+]2CCCC[C@@H]2COC(=O)N[C@@H]2CCOC2)c1 ZINC000377689507 476522791 /nfs/dbraw/zinc/52/27/91/476522791.db2.gz CCVKEXHEDKNFCL-IAGOWNOFSA-N 0 3 348.443 2.570 20 10 EFCDHN Cc1cccc(C[N@@H+]2CCCC[C@H]2COC(=O)N[C@H]2CCOC2)c1[O-] ZINC000377720502 476545695 /nfs/dbraw/zinc/54/56/95/476545695.db2.gz LTYRYFUWTJWCBS-IRXDYDNUSA-N 0 3 348.443 2.570 20 10 EFCDHN Cc1cccc(C[N@H+]2CCCC[C@H]2COC(=O)N[C@H]2CCOC2)c1[O-] ZINC000377720502 476545699 /nfs/dbraw/zinc/54/56/99/476545699.db2.gz LTYRYFUWTJWCBS-IRXDYDNUSA-N 0 3 348.443 2.570 20 10 EFCDHN CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(Cc2ccc(N(C)C)cc2)C1 ZINC000376166691 477207861 /nfs/dbraw/zinc/20/78/61/477207861.db2.gz MSRLSBHKUCAKFQ-MRXNPFEDSA-N 0 3 341.459 2.814 20 10 EFCDHN C[C@H]([NH2+]C[C@H]1CN2CCC[C@@H]2CO1)c1cc2c(cc1[O-])CCCC2 ZINC000368324742 477797963 /nfs/dbraw/zinc/79/79/63/477797963.db2.gz UDSGKOIAHRKDNX-QGTPRVQTSA-N 0 3 330.472 2.785 20 10 EFCDHN CC[C@@H]([NH2+][C@@H]1CCN(c2ccccc2C(N)=O)C1)c1ccccc1[O-] ZINC000368408795 477804338 /nfs/dbraw/zinc/80/43/38/477804338.db2.gz FMRIVNJLROFCLH-RHSMWYFYSA-N 0 3 339.439 2.811 20 10 EFCDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+]C[C@H]1COCCN1 ZINC000530222562 477878692 /nfs/dbraw/zinc/87/86/92/477878692.db2.gz GFYCFYBJJJOLLN-PKOBYXMFSA-N 0 3 326.440 2.644 20 10 EFCDHN Cc1c2ccccc2n(C)c1CNC(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000526928305 478407900 /nfs/dbraw/zinc/40/79/00/478407900.db2.gz XYOGVMAPXLNAGE-MRXNPFEDSA-N 0 3 340.471 2.866 20 10 EFCDHN COc1cccc([C@@H](C[NH2+]Cc2cc3c(cc2[O-])OCO3)OC)c1 ZINC000527735343 478497610 /nfs/dbraw/zinc/49/76/10/478497610.db2.gz IWTRVTDNPGXWSP-GOSISDBHSA-N 0 3 331.368 2.607 20 10 EFCDHN Cc1cc(O)c(CNc2ccc(C(=O)NCCN(C)C)cc2)cc1C ZINC000527761203 478507912 /nfs/dbraw/zinc/50/79/12/478507912.db2.gz BMOWSAWDILWJJA-UHFFFAOYSA-N 0 3 341.455 2.913 20 10 EFCDHN CCOc1ccc([O-])c(C[NH2+][C@@]2(COC)COc3ccccc3C2)c1 ZINC000527799186 478524310 /nfs/dbraw/zinc/52/43/10/478524310.db2.gz JKKFNXNCZFPMGV-FQEVSTJZSA-N 0 3 343.423 2.901 20 10 EFCDHN CCOc1ccc(O)c(CN[C@@]2(COC)COc3ccccc3C2)c1 ZINC000527799186 478524316 /nfs/dbraw/zinc/52/43/16/478524316.db2.gz JKKFNXNCZFPMGV-FQEVSTJZSA-N 0 3 343.423 2.901 20 10 EFCDHN COC[C@@]1(NCc2ccc3c(c2)CCO3)COc2ccccc2C1 ZINC000527799202 478524348 /nfs/dbraw/zinc/52/43/48/478524348.db2.gz JTONUPPSWOBLJA-HXUWFJFHSA-N 0 3 325.408 2.731 20 10 EFCDHN COCCn1c(C)c(C)c2cc(C(=O)N3CCN[C@H](C)[C@@H]3C)ccc21 ZINC000566627261 479094869 /nfs/dbraw/zinc/09/48/69/479094869.db2.gz MOXAJIMOYAXIJS-ZBFHGGJFSA-N 0 3 343.471 2.727 20 10 EFCDHN COC[C@]1([NH2+]Cc2cc(OC)ccc2[O-])COc2ccccc2C1 ZINC000529669156 479241716 /nfs/dbraw/zinc/24/17/16/479241716.db2.gz PKNUMMWIGNVVRC-IBGZPJMESA-N 0 3 329.396 2.511 20 10 EFCDHN COC[C@]1(NCc2cc(OC)ccc2O)COc2ccccc2C1 ZINC000529669156 479241722 /nfs/dbraw/zinc/24/17/22/479241722.db2.gz PKNUMMWIGNVVRC-IBGZPJMESA-N 0 3 329.396 2.511 20 10 EFCDHN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1CCCN1C1CCCC1 ZINC000648803376 481752644 /nfs/dbraw/zinc/75/26/44/481752644.db2.gz QGVVYPBTEFFPJN-GOSISDBHSA-N 0 3 343.471 2.885 20 10 EFCDHN Cc1nc(CCN(C)Cc2ccc(N3CCOCC3)cc2)cs1 ZINC000163560202 534325285 /nfs/dbraw/zinc/32/52/85/534325285.db2.gz XNHXPFQJLTTXIJ-UHFFFAOYSA-N 0 3 331.485 2.963 20 10 EFCDHN Cc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1cc3c(cc1[O-])CCCC3)CC2 ZINC000185317938 534703440 /nfs/dbraw/zinc/70/34/40/534703440.db2.gz TZUFZLQCGUIKRK-WBMJQRKESA-N 0 3 326.444 2.837 20 10 EFCDHN CS(=O)(=O)C[C@H]1CCC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000298773795 525140475 /nfs/dbraw/zinc/14/04/75/525140475.db2.gz HCTJKEUZUNXSBG-AWEZNQCLSA-N 0 3 333.453 2.802 20 10 EFCDHN CS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000298773795 525140481 /nfs/dbraw/zinc/14/04/81/525140481.db2.gz HCTJKEUZUNXSBG-AWEZNQCLSA-N 0 3 333.453 2.802 20 10 EFCDHN CC(C)(C)OC(=O)N1CCO[C@H](C[NH2+][C@H]2CCc3cccc([O-])c32)C1 ZINC000295874246 534846115 /nfs/dbraw/zinc/84/61/15/534846115.db2.gz GMUYNKMOGPIAHV-CABCVRRESA-N 0 3 348.443 2.605 20 10 EFCDHN CCN(CCNC(=O)NCc1ccc(N2CCCC2)cc1)C1CC1 ZINC000171159757 528494698 /nfs/dbraw/zinc/49/46/98/528494698.db2.gz BNYJKOKPHWWOIY-UHFFFAOYSA-N 0 3 330.476 2.570 20 10 EFCDHN CCN(CC)c1ccc(CN2CCN([C@@H]3CCCN(C)C3)CC2)cc1 ZINC000362375332 535684496 /nfs/dbraw/zinc/68/44/96/535684496.db2.gz CYEGMCLMZNZQTQ-OAQYLSRUSA-N 0 3 344.547 2.745 20 10 EFCDHN CC[C@@H]([NH2+]Cc1cccc(OCC(N)=O)c1)c1ccc(C)cc1[O-] ZINC000279933215 535806146 /nfs/dbraw/zinc/80/61/46/535806146.db2.gz AWJORKLMDCLXOG-QGZVFWFLSA-N 0 3 328.412 2.806 20 10 EFCDHN CC[C@H]([NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)c1ccc(F)cc1[O-] ZINC000367616618 535936372 /nfs/dbraw/zinc/93/63/72/535936372.db2.gz LQSUHNKRYSRYSJ-QAPCUYQASA-N 0 3 335.467 2.741 20 10 EFCDHN CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000297576335 536377065 /nfs/dbraw/zinc/37/70/65/536377065.db2.gz GXWVHAZFGPJPKU-ROUUACIJSA-N 0 3 349.434 2.808 20 10 EFCDHN CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000297576329 536377096 /nfs/dbraw/zinc/37/70/96/536377096.db2.gz GXWVHAZFGPJPKU-MSOLQXFVSA-N 0 3 349.434 2.808 20 10 EFCDHN CN(CCOCCO)Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000296983399 536396898 /nfs/dbraw/zinc/39/68/98/536396898.db2.gz VJNWXCZZZQOHPI-UHFFFAOYSA-N 0 3 334.485 2.825 20 10 EFCDHN COc1ccc(N2CCC(N[C@H](C)C(=O)NC(C)(C)C)CC2)cc1 ZINC000362971321 536669982 /nfs/dbraw/zinc/66/99/82/536669982.db2.gz SIFLRLHZQXSEQV-CQSZACIVSA-N 0 3 333.476 2.557 20 10 EFCDHN COc1ccc(N2CCC(N[C@H](CO)c3ccccc3)CC2)cc1 ZINC000305108736 536670796 /nfs/dbraw/zinc/67/07/96/536670796.db2.gz DVZQRYKLZXXUOX-HXUWFJFHSA-N 0 3 326.440 2.987 20 10 EFCDHN COc1ccc(N2CCCN(CCO[C@H]3CCCCO3)CC2)cc1 ZINC000248595876 536671481 /nfs/dbraw/zinc/67/14/81/536671481.db2.gz SSFNDXSHIRLDDJ-IBGZPJMESA-N 0 3 334.460 2.751 20 10 EFCDHN COc1ccc([C@H](C[NH2+]Cc2ccccc2[O-])N2CCOCC2)cc1 ZINC000237338879 536916473 /nfs/dbraw/zinc/91/64/73/536916473.db2.gz YXHBYRNZTKVZEU-IBGZPJMESA-N 0 3 342.439 2.564 20 10 EFCDHN COC(=O)CCN(Cc1ccncc1)Cc1cc2c(cc1O)CCC2 ZINC000754012297 575376030 /nfs/dbraw/zinc/37/60/30/575376030.db2.gz BBKKKTKTNLGXSC-UHFFFAOYSA-N 0 3 340.423 2.841 20 10 EFCDHN COc1cc(OC)cc(OCCC[NH2+]Cc2c([O-])cccc2OC)c1 ZINC000754048567 575380114 /nfs/dbraw/zinc/38/01/14/575380114.db2.gz RTRHSTOILYAWMS-UHFFFAOYSA-N 0 3 347.411 2.977 20 10 EFCDHN COCC(=O)Nc1cccc(C[NH2+][C@H](C)c2cc(F)ccc2[O-])c1 ZINC000756379552 575726980 /nfs/dbraw/zinc/72/69/80/575726980.db2.gz OZUQUILSAXWSMT-GFCCVEGCSA-N 0 3 332.375 2.967 20 10 EFCDHN Cc1ccc([O-])c([C@H](C)[NH2+]Cc2cccc(NS(C)(=O)=O)c2)c1 ZINC000756384085 575727460 /nfs/dbraw/zinc/72/74/60/575727460.db2.gz NEKVOPKAFUDSSD-ZDUSSCGKSA-N 0 3 334.441 2.923 20 10 EFCDHN C[C@H](C[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F)CN1CCN(C)CC1 ZINC000756534153 575756611 /nfs/dbraw/zinc/75/66/11/575756611.db2.gz KUGHIKLINLCSOJ-YCPHGPKFSA-N 0 3 335.467 2.553 20 10 EFCDHN COc1ccc([O-])c([C@H](C)[NH2+]CC(C)(C)N2CCC(OC)CC2)c1 ZINC000756553785 575760896 /nfs/dbraw/zinc/76/08/96/575760896.db2.gz MXWPLZPJNDBIRD-AWEZNQCLSA-N 0 3 336.476 2.941 20 10 EFCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCN(C(=O)C3CCCC3)C2)c1 ZINC000756661165 575773967 /nfs/dbraw/zinc/77/39/67/575773967.db2.gz YYYNYRYYRHHBJI-DZGCQCFKSA-N 0 3 332.444 2.843 20 10 EFCDHN C[C@@H](NCCS(=O)(=O)CC1CC1)c1cc2c(cc1O)CCCC2 ZINC000756763704 575785144 /nfs/dbraw/zinc/78/51/44/575785144.db2.gz XNXQHYQECJFDJE-CYBMUJFWSA-N 0 3 337.485 2.746 20 10 EFCDHN CCN(CC)c1ccc(CNC(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)cc1 ZINC000757635035 575846505 /nfs/dbraw/zinc/84/65/05/575846505.db2.gz MCBNILJXVAALBD-DNVCBOLYSA-N 0 3 344.503 2.815 20 10 EFCDHN COC[C@](C)(CC(=O)OC)NCc1ccc(N2CCCCC2)cc1 ZINC000757923235 575855890 /nfs/dbraw/zinc/85/58/90/575855890.db2.gz FMKKIYFZVPFYON-IBGZPJMESA-N 0 3 334.460 2.735 20 10 EFCDHN COCC1(O)CCN(Cc2cc(OC)cc(C(C)(C)C)c2O)CC1 ZINC000758370026 575867985 /nfs/dbraw/zinc/86/79/85/575867985.db2.gz FASIAOBEXFGOSM-UHFFFAOYSA-N 0 3 337.460 2.672 20 10 EFCDHN COc1cccc(C[NH2+]C[C@]2(CO)C[C@H]2c2ccc(F)cc2)c1[O-] ZINC000758521242 575871475 /nfs/dbraw/zinc/87/14/75/575871475.db2.gz ARLQWKLBJDZFHW-LPHOPBHVSA-N 0 3 331.387 2.796 20 10 EFCDHN COc1cccc([O-])c1C[NH2+]C[C@@]1(CO)C[C@@H]1c1ccc(F)cc1 ZINC000758526598 575871595 /nfs/dbraw/zinc/87/15/95/575871595.db2.gz XTDFINZKQPOLOH-VQIMIIECSA-N 0 3 331.387 2.796 20 10 EFCDHN COc1cccc([O-])c1C[NH2+]C[C@]1(CO)C[C@H]1c1ccc(F)cc1 ZINC000758526582 575871620 /nfs/dbraw/zinc/87/16/20/575871620.db2.gz XTDFINZKQPOLOH-LPHOPBHVSA-N 0 3 331.387 2.796 20 10 EFCDHN C[C@@H](NCc1ccc(N2CCN(C)CC2)cc1)c1cccc(O)c1 ZINC000758547605 575872334 /nfs/dbraw/zinc/87/23/34/575872334.db2.gz XCDBJYGGQPTIRS-MRXNPFEDSA-N 0 3 325.456 2.995 20 10 EFCDHN CC[C@H](CN1CCCC1)NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000758730543 575876481 /nfs/dbraw/zinc/87/64/81/575876481.db2.gz UAXROUYPSGHLOG-OAHLLOKOSA-N 0 3 336.455 2.565 20 10 EFCDHN CC[C@H](CN1CCCC1)NC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000758848711 575878661 /nfs/dbraw/zinc/87/86/61/575878661.db2.gz OOIKMACYIAQQPN-QGZVFWFLSA-N 0 3 332.492 2.768 20 10 EFCDHN CCN1CCC(NC(=O)CN(C)c2ccc(OC(C)C)cc2)CC1 ZINC000759934535 575957965 /nfs/dbraw/zinc/95/79/65/575957965.db2.gz XTXXSDRBONRHSY-UHFFFAOYSA-N 0 3 333.476 2.511 20 10 EFCDHN Cc1cc(O)c(CN2CC[C@H](NC(=O)NC3CC3)C2)cc1C(C)C ZINC000760549044 576043676 /nfs/dbraw/zinc/04/36/76/576043676.db2.gz HFUMXHHJKQEGLZ-INIZCTEOSA-N 0 3 331.460 2.860 20 10 EFCDHN CC(C)N(CC[C@H]1CCS(=O)(=O)C1)Cc1ccc(N(C)C)cc1 ZINC000760817936 576077060 /nfs/dbraw/zinc/07/70/60/576077060.db2.gz MVCLWODRFZAWSI-KRWDZBQOSA-N 0 3 338.517 2.788 20 10 EFCDHN CCOC(=O)CC[N@H+](Cc1cc(Cl)cc(OC)c1[O-])C1CC1 ZINC000761195252 576127980 /nfs/dbraw/zinc/12/79/80/576127980.db2.gz LKLNDSICLJSTHR-UHFFFAOYSA-N 0 3 327.808 2.972 20 10 EFCDHN CCOC(=O)CC[N@@H+](Cc1cc(Cl)cc(OC)c1[O-])C1CC1 ZINC000761195252 576127981 /nfs/dbraw/zinc/12/79/81/576127981.db2.gz LKLNDSICLJSTHR-UHFFFAOYSA-N 0 3 327.808 2.972 20 10 EFCDHN COc1cccc(O)c1CN(C)c1ccc(OCCN(C)C)cc1 ZINC000761221485 576131838 /nfs/dbraw/zinc/13/18/38/576131838.db2.gz OHKKIQNDRIPAQX-UHFFFAOYSA-N 0 3 330.428 2.978 20 10 EFCDHN CCO[C@H]1COCC[C@@H]1[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000761222747 576131979 /nfs/dbraw/zinc/13/19/79/576131979.db2.gz MMLVEPWXUJUTQR-KBPBESRZSA-N 0 3 344.249 2.747 20 10 EFCDHN CCO[C@@H]1COCC[C@H]1[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000761222755 576132410 /nfs/dbraw/zinc/13/24/10/576132410.db2.gz MMLVEPWXUJUTQR-ZIAGYGMSSA-N 0 3 344.249 2.747 20 10 EFCDHN COC[C@H](CC(C)C)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000765285742 577027404 /nfs/dbraw/zinc/02/74/04/577027404.db2.gz FRKFOQIMONEQLT-INIZCTEOSA-N 0 3 338.467 2.938 20 10 EFCDHN C[C@H](NCCN1C(=O)c2ccccc2C1=O)c1ccc(N(C)C)cc1 ZINC000765398409 577038290 /nfs/dbraw/zinc/03/82/90/577038290.db2.gz ZOQUHEKMNFWZAZ-AWEZNQCLSA-N 0 3 337.423 2.699 20 10 EFCDHN CC[C@H](NCCS(=O)(=O)NC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000765406933 577038948 /nfs/dbraw/zinc/03/89/48/577038948.db2.gz BGKLSRDKGCLIHS-INIZCTEOSA-N 0 3 341.521 2.511 20 10 EFCDHN C[C@@H](NC[C@H](C)N(C)C)c1ccc(N2CCOCC2)cc1Cl ZINC000765774314 577075287 /nfs/dbraw/zinc/07/52/87/577075287.db2.gz IMPOMZAKLSLWRH-UONOGXRCSA-N 0 3 325.884 2.777 20 10 EFCDHN CCC[C@@H]1C[N@H+](Cc2c([O-])ccc3ccncc32)CCN1CCOC ZINC000766373107 577141149 /nfs/dbraw/zinc/14/11/49/577141149.db2.gz FCCZVGGZJAVJDO-QGZVFWFLSA-N 0 3 343.471 2.873 20 10 EFCDHN CCC[C@@H]1C[N@@H+](Cc2c([O-])ccc3ccncc32)CCN1CCOC ZINC000766373107 577141151 /nfs/dbraw/zinc/14/11/51/577141151.db2.gz FCCZVGGZJAVJDO-QGZVFWFLSA-N 0 3 343.471 2.873 20 10 EFCDHN CC(C)[C@@H](CO)N[C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000766503459 577158967 /nfs/dbraw/zinc/15/89/67/577158967.db2.gz ZJRSSMYGGYKQKI-CXAGYDPISA-N 0 3 326.868 2.844 20 10 EFCDHN Cc1cc(CNCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c(C)o1 ZINC000767350277 577205639 /nfs/dbraw/zinc/20/56/39/577205639.db2.gz HVCYWQFBEJBUAC-KRWDZBQOSA-N 0 3 341.455 2.888 20 10 EFCDHN CN1CCN([C@H](C[NH2+]Cc2ccccc2[O-])c2cccs2)CC1 ZINC000725841375 577243585 /nfs/dbraw/zinc/24/35/85/577243585.db2.gz CWKMUHFOYJHSCH-MRXNPFEDSA-N 0 3 331.485 2.532 20 10 EFCDHN CCOc1ccc(CN2CCN(c3ccc(O)cc3)CC2)c(O)c1 ZINC000768138581 577257043 /nfs/dbraw/zinc/25/70/43/577257043.db2.gz ZNYARJLZVJXIDZ-UHFFFAOYSA-N 0 3 328.412 2.819 20 10 EFCDHN Cc1ccc(O)c(CN2CCN(CCOc3ccccc3)CC2)c1 ZINC000768194071 577260262 /nfs/dbraw/zinc/26/02/62/577260262.db2.gz ZKQQSVPZPZGDEL-UHFFFAOYSA-N 0 3 326.440 2.897 20 10 EFCDHN CCOc1ccc(C[N@H+](C)Cc2ccc(C(=O)NC)cc2)c([O-])c1 ZINC000768207027 577260837 /nfs/dbraw/zinc/26/08/37/577260837.db2.gz OBUDKUPFVSUTIW-UHFFFAOYSA-N 0 3 328.412 2.783 20 10 EFCDHN CCOc1ccc(C[N@@H+](C)Cc2ccc(C(=O)NC)cc2)c([O-])c1 ZINC000768207027 577260838 /nfs/dbraw/zinc/26/08/38/577260838.db2.gz OBUDKUPFVSUTIW-UHFFFAOYSA-N 0 3 328.412 2.783 20 10 EFCDHN CCCCNC(=O)C1CC[NH+](Cc2ccc(OCC)cc2[O-])CC1 ZINC000768333621 577266685 /nfs/dbraw/zinc/26/66/85/577266685.db2.gz CHHOVRFBBJXUCQ-UHFFFAOYSA-N 0 3 334.460 2.919 20 10 EFCDHN COc1ccc(C[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C2CC2)cc1 ZINC000768442525 577273755 /nfs/dbraw/zinc/27/37/55/577273755.db2.gz RVEPYHAPWRVFNC-LJQANCHMSA-N 0 3 341.407 2.991 20 10 EFCDHN COc1ccc(C[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C2CC2)cc1 ZINC000768442525 577273756 /nfs/dbraw/zinc/27/37/56/577273756.db2.gz RVEPYHAPWRVFNC-LJQANCHMSA-N 0 3 341.407 2.991 20 10 EFCDHN C[N@@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)C[C@@H]1OCCc2ccccc21 ZINC000768444666 577273954 /nfs/dbraw/zinc/27/39/54/577273954.db2.gz NGCDLVRVHPRSRC-ICSRJNTNSA-N 0 3 341.407 2.564 20 10 EFCDHN C[N@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)C[C@@H]1OCCc2ccccc21 ZINC000768444666 577273955 /nfs/dbraw/zinc/27/39/55/577273955.db2.gz NGCDLVRVHPRSRC-ICSRJNTNSA-N 0 3 341.407 2.564 20 10 EFCDHN [O-]c1cc2c(cc1C[N@@H+]1CCCN(c3ccccc3)CC1)[C@@H](O)CO2 ZINC000768444970 577274075 /nfs/dbraw/zinc/27/40/75/577274075.db2.gz ZVGHFOWSGNYBJR-IBGZPJMESA-N 0 3 340.423 2.530 20 10 EFCDHN [O-]c1cc2c(cc1C[N@H+]1CCCN(c3ccccc3)CC1)[C@@H](O)CO2 ZINC000768444970 577274078 /nfs/dbraw/zinc/27/40/78/577274078.db2.gz ZVGHFOWSGNYBJR-IBGZPJMESA-N 0 3 340.423 2.530 20 10 EFCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@H](c3ccccc3F)C1)[C@@H](O)CO2 ZINC000768448542 577274772 /nfs/dbraw/zinc/27/47/72/577274772.db2.gz CLRYNIPODYJWBH-XIKOKIGWSA-N 0 3 329.371 2.947 20 10 EFCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@@H](c3ccccc3F)C1)[C@@H](O)CO2 ZINC000768448542 577274774 /nfs/dbraw/zinc/27/47/74/577274774.db2.gz CLRYNIPODYJWBH-XIKOKIGWSA-N 0 3 329.371 2.947 20 10 EFCDHN [O-]c1cc2c(cc1C[N@@H+]1CCCO[C@@H](c3ccccc3)C1)[C@H](O)CO2 ZINC000768453438 577275222 /nfs/dbraw/zinc/27/52/22/577275222.db2.gz XHJQZURMYMBWCM-UYAOXDASSA-N 0 3 341.407 2.782 20 10 EFCDHN [O-]c1cc2c(cc1C[N@H+]1CCCO[C@@H](c3ccccc3)C1)[C@H](O)CO2 ZINC000768453438 577275225 /nfs/dbraw/zinc/27/52/25/577275225.db2.gz XHJQZURMYMBWCM-UYAOXDASSA-N 0 3 341.407 2.782 20 10 EFCDHN [O-]c1cc2c(cc1C[N@H+](CCC(F)(F)F)CC1CC1)[C@@H](O)CO2 ZINC000768463428 577276014 /nfs/dbraw/zinc/27/60/14/577276014.db2.gz IODUXERYPQNNRC-AWEZNQCLSA-N 0 3 331.334 2.982 20 10 EFCDHN [O-]c1cc2c(cc1C[N@@H+](CCC(F)(F)F)CC1CC1)[C@@H](O)CO2 ZINC000768463428 577276015 /nfs/dbraw/zinc/27/60/15/577276015.db2.gz IODUXERYPQNNRC-AWEZNQCLSA-N 0 3 331.334 2.982 20 10 EFCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H]1CN1CCOCC1)CCCC2 ZINC000768466572 577276463 /nfs/dbraw/zinc/27/64/63/577276463.db2.gz SBOYSIIMZKRUMI-LJQANCHMSA-N 0 3 330.472 2.568 20 10 EFCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H]1CN1CCOCC1)CCCC2 ZINC000768466572 577276465 /nfs/dbraw/zinc/27/64/65/577276465.db2.gz SBOYSIIMZKRUMI-LJQANCHMSA-N 0 3 330.472 2.568 20 10 EFCDHN C[C@@H](Cn1cccn1)[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000768689509 577295277 /nfs/dbraw/zinc/29/52/77/577295277.db2.gz HZRMADAOIOLBDA-WMLDXEAASA-N 0 3 348.878 2.885 20 10 EFCDHN C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(Cc2cc3c(cc2[O-])OCO3)C1 ZINC000768913542 577315875 /nfs/dbraw/zinc/31/58/75/577315875.db2.gz LCMLMIUUZIYHGG-IIAWOOMASA-N 0 3 332.444 2.958 20 10 EFCDHN C[C@@H]1CN(C[C@H]2CCCN2Cc2ccc(N(C)C)c(F)c2)C[C@H](C)O1 ZINC000769108129 577334792 /nfs/dbraw/zinc/33/47/92/577334792.db2.gz LMACCHNPNDYWFH-SOLBZPMBSA-N 0 3 349.494 2.965 20 10 EFCDHN CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(OCC)cc2[O-])C1 ZINC000769205154 577344286 /nfs/dbraw/zinc/34/42/86/577344286.db2.gz DPYPMUMTCHVFMZ-HNNXBMFYSA-N 0 3 334.460 2.919 20 10 EFCDHN CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(OCC)cc2[O-])C1 ZINC000769205154 577344287 /nfs/dbraw/zinc/34/42/87/577344287.db2.gz DPYPMUMTCHVFMZ-HNNXBMFYSA-N 0 3 334.460 2.919 20 10 EFCDHN CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2c([O-])cccc2OC)C1 ZINC000769209852 577344752 /nfs/dbraw/zinc/34/47/52/577344752.db2.gz NOPCZUCWEWWHOY-HUUCEWRRSA-N 0 3 334.460 2.918 20 10 EFCDHN CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2c([O-])cccc2OC)C1 ZINC000769209852 577344753 /nfs/dbraw/zinc/34/47/53/577344753.db2.gz NOPCZUCWEWWHOY-HUUCEWRRSA-N 0 3 334.460 2.918 20 10 EFCDHN CCN(Cc1ccc(OCC(N)=O)cc1)Cc1ccc(N(C)C)cc1 ZINC000726066481 577347802 /nfs/dbraw/zinc/34/78/02/577347802.db2.gz DCXLATJMTJLYMM-UHFFFAOYSA-N 0 3 341.455 2.639 20 10 EFCDHN CCN1CCN(Cc2cc(Br)cc(OC)c2O)C[C@H]1C ZINC000769381202 577357205 /nfs/dbraw/zinc/35/72/05/577357205.db2.gz MEXZNTAWYMMICU-LLVKDONJSA-N 0 3 343.265 2.689 20 10 EFCDHN COc1cc(Br)cc(C[N@@H+](CCCO)C2CC2)c1[O-] ZINC000769404712 577359869 /nfs/dbraw/zinc/35/98/69/577359869.db2.gz OJUURDKQIRBFKG-UHFFFAOYSA-N 0 3 330.222 2.510 20 10 EFCDHN COc1cc(Br)cc(C[N@H+](CCCO)C2CC2)c1[O-] ZINC000769404712 577359867 /nfs/dbraw/zinc/35/98/67/577359867.db2.gz OJUURDKQIRBFKG-UHFFFAOYSA-N 0 3 330.222 2.510 20 10 EFCDHN CCOc1ccc(C[NH+]2CCC3(CC2)[C@@H](O)C[C@@H]3OCC)c([O-])c1 ZINC000769478723 577365692 /nfs/dbraw/zinc/36/56/92/577365692.db2.gz FREZWZFHHGNXKJ-ROUUACIJSA-N 0 3 335.444 2.543 20 10 EFCDHN CCOc1ccc([O-])c(C[NH+]2CCC(N(C)CC(F)F)CC2)c1 ZINC000769509241 577368526 /nfs/dbraw/zinc/36/85/26/577368526.db2.gz JAQZMLNRRNBKFG-UHFFFAOYSA-N 0 3 328.403 2.952 20 10 EFCDHN COc1cccc([O-])c1C[NH2+]C1CCC(O)(c2cccnc2)CC1 ZINC000769931497 577394062 /nfs/dbraw/zinc/39/40/62/577394062.db2.gz GSFUDMMLXVDMIT-UHFFFAOYSA-N 0 3 328.412 2.716 20 10 EFCDHN C[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)[C@H](c1ccccc1)N(C)C ZINC000771512107 581219767 /nfs/dbraw/zinc/21/97/67/581219767.db2.gz XUWGCDJRCBWJIA-QHLBTRFYSA-N 0 3 340.423 2.919 20 10 EFCDHN COC(=O)C(C)(C)[C@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000771627719 581228393 /nfs/dbraw/zinc/22/83/93/581228393.db2.gz QAHVZZCDRRBXAB-ZDUSSCGKSA-N 0 3 335.400 2.532 20 10 EFCDHN COC(=O)C(C)(C)[C@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000771627719 581228396 /nfs/dbraw/zinc/22/83/96/581228396.db2.gz QAHVZZCDRRBXAB-ZDUSSCGKSA-N 0 3 335.400 2.532 20 10 EFCDHN CCN1CCN(c2cccc(NC(=O)C3=CC(=O)CS3)c2)CC1 ZINC000771745634 581238924 /nfs/dbraw/zinc/23/89/24/581238924.db2.gz YTKDWFRYEHSVSJ-UHFFFAOYSA-N 0 3 331.441 2.848 20 10 EFCDHN CN(C)c1ccccc1CNCc1ccc(N2CCN(C)CC2)cc1 ZINC000771841797 581249500 /nfs/dbraw/zinc/24/95/00/581249500.db2.gz LEZMDWIRJJCPQN-UHFFFAOYSA-N 0 3 338.499 2.794 20 10 EFCDHN CCN1CCCC[C@H]1CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773293837 581415013 /nfs/dbraw/zinc/41/50/13/581415013.db2.gz AFAIBQCAXZTEGO-QAPCUYQASA-N 0 3 332.492 2.987 20 10 EFCDHN C[C@@H](NC(=O)N[C@@H]1CCN(CC2CC2)C1)c1ccc(N(C)C)cc1 ZINC000773314605 581417264 /nfs/dbraw/zinc/41/72/64/581417264.db2.gz KMAYBVYSBGUDQC-RHSMWYFYSA-N 0 3 330.476 2.597 20 10 EFCDHN CCN(C)c1ccc(CN(CCC(=O)OC)C[C@H]2CCCO2)cc1 ZINC000773751652 581461475 /nfs/dbraw/zinc/46/14/75/581461475.db2.gz GDTHSKUDMUCKII-GOSISDBHSA-N 0 3 334.460 2.687 20 10 EFCDHN COC[C@H](C)OC[C@@H](O)C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000773758745 581462430 /nfs/dbraw/zinc/46/24/30/581462430.db2.gz XSUXDUBAQHFHLE-YJBOKZPZSA-N 0 3 337.460 2.549 20 10 EFCDHN COC[C@H](C)OC[C@@H](O)C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000773758745 581462432 /nfs/dbraw/zinc/46/24/32/581462432.db2.gz XSUXDUBAQHFHLE-YJBOKZPZSA-N 0 3 337.460 2.549 20 10 EFCDHN Cc1ccc(C)n1-c1ccc(C(=O)NOC2CCN(C)CC2)cc1 ZINC000774290745 581488919 /nfs/dbraw/zinc/48/89/19/581488919.db2.gz LKNONVNMURTASQ-UHFFFAOYSA-N 0 3 327.428 2.850 20 10 EFCDHN C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824617414 609139529 /nfs/dbraw/zinc/13/95/29/609139529.db2.gz HOGJKMSIQGGKOL-NSHDSACASA-N 0 3 339.374 2.792 20 10 EFCDHN CC(C)=CCN1CC[C@]2(CC[N@H+](Cc3cc(F)ccc3[O-])C2)C1=O ZINC001273284161 1265475700 /nfs/dbraw/zinc/47/57/00/1265475700.db2.gz FYNUXDWBIFUOOM-IBGZPJMESA-N 0 3 332.419 2.922 20 10 EFCDHN CC(C)=CCN1CC[C@]2(CC[N@@H+](Cc3cc(F)ccc3[O-])C2)C1=O ZINC001273284161 1265475703 /nfs/dbraw/zinc/47/57/03/1265475703.db2.gz FYNUXDWBIFUOOM-IBGZPJMESA-N 0 3 332.419 2.922 20 10 EFCDHN O=C1N(CC(F)(F)F)CC[C@@]12CC[N@@H+](Cc1cc(F)ccc1[O-])C2 ZINC001273283896 1265475989 /nfs/dbraw/zinc/47/59/89/1265475989.db2.gz BMUAKAJAHVISAX-OAHLLOKOSA-N 0 3 346.324 2.518 20 10 EFCDHN O=C1N(CC(F)(F)F)CC[C@@]12CC[N@H+](Cc1cc(F)ccc1[O-])C2 ZINC001273283896 1265475993 /nfs/dbraw/zinc/47/59/93/1265475993.db2.gz BMUAKAJAHVISAX-OAHLLOKOSA-N 0 3 346.324 2.518 20 10 EFCDHN CN1CCN(c2ccc(CNCc3cccnc3Cl)cc2)CC1 ZINC000850352217 1250446467 /nfs/dbraw/zinc/44/64/67/1250446467.db2.gz OYFYLCHDNMBFTM-UHFFFAOYSA-N 0 3 330.863 2.777 20 10 EFCDHN CCOc1ccc(C[NH2+]CC2(S(C)(=O)=O)CCCCC2)c([O-])c1 ZINC000850377054 1250454396 /nfs/dbraw/zinc/45/43/96/1250454396.db2.gz VFMAWVCSMFEEPL-UHFFFAOYSA-N 0 3 341.473 2.628 20 10 EFCDHN C[C@@H](N[C@@H]1CCCn2nccc21)c1ccc(N2CCOCC2)cc1 ZINC000850428135 1250485599 /nfs/dbraw/zinc/48/55/99/1250485599.db2.gz KQPXLKHRKKCIPM-CRAIPNDOSA-N 0 3 326.444 2.905 20 10 EFCDHN c1nn(C2CCC2)cc1CNCc1ccc(N2CCOCC2)cc1 ZINC000921583006 1257505126 /nfs/dbraw/zinc/50/51/26/1257505126.db2.gz UFBILUYZBGCDTR-UHFFFAOYSA-N 0 3 326.444 2.735 20 10 EFCDHN COC(C)(C)CN1CC[C@@]2(CC[N@H+](Cc3ccc(C)cc3[O-])C2)C1=O ZINC001272765348 1257683500 /nfs/dbraw/zinc/68/35/00/1257683500.db2.gz HKNFQHYFQZNDCU-HXUWFJFHSA-N 0 3 346.471 2.550 20 10 EFCDHN COC(C)(C)CN1CC[C@@]2(CC[N@@H+](Cc3ccc(C)cc3[O-])C2)C1=O ZINC001272765348 1257683504 /nfs/dbraw/zinc/68/35/04/1257683504.db2.gz HKNFQHYFQZNDCU-HXUWFJFHSA-N 0 3 346.471 2.550 20 10 EFCDHN COCCCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(C)cc1[O-] ZINC001272766319 1257701919 /nfs/dbraw/zinc/70/19/19/1257701919.db2.gz ONOSAHSWHPVUQO-HXUWFJFHSA-N 0 3 346.471 2.694 20 10 EFCDHN COCCCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ccc(C)cc1[O-] ZINC001272766319 1257701922 /nfs/dbraw/zinc/70/19/22/1257701922.db2.gz ONOSAHSWHPVUQO-HXUWFJFHSA-N 0 3 346.471 2.694 20 10 EFCDHN [NH3+][C@@H]1CCC[C@H]2CN(Cc3cccc(Br)c3[O-])C[C@H]21 ZINC000843060255 1258496606 /nfs/dbraw/zinc/49/66/06/1258496606.db2.gz ZHSLADVTRXEELT-ZKYQVNSYSA-N 0 3 325.250 2.714 20 10 EFCDHN [NH3+]C[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2[O-])CC12CCOCC2 ZINC000843125204 1260614035 /nfs/dbraw/zinc/61/40/35/1260614035.db2.gz NZKLIBJAJWBBSP-GFCCVEGCSA-N 0 3 345.270 2.886 20 10 EFCDHN CC(C)=CCN1CCC2(CCN(Cc3ccc(O)c(O)c3)CC2)C1=O ZINC001272903827 1261297764 /nfs/dbraw/zinc/29/77/64/1261297764.db2.gz ZLBUPNQFGKRKHV-UHFFFAOYSA-N 0 3 344.455 2.879 20 10 EFCDHN CCOc1ccc(C[NH2+]CC(C)(C)N2CCC(OC)CC2)c([O-])c1 ZINC000730817528 1264452948 /nfs/dbraw/zinc/45/29/48/1264452948.db2.gz QCXLHIUOZPOQLK-UHFFFAOYSA-N 0 3 336.476 2.770 20 10 EFCDHN O=C1N(CC2CCCC2)CC[C@]12CC[N@@H+](Cc1ccc(O)cc1[O-])C2 ZINC001272988231 1264742265 /nfs/dbraw/zinc/74/22/65/1264742265.db2.gz OMCIQHHKFVCEQR-FQEVSTJZSA-N 0 3 344.455 2.712 20 10 EFCDHN O=C1N(CC2CCCC2)CC[C@]12CC[N@H+](Cc1ccc(O)cc1[O-])C2 ZINC001272988231 1264742273 /nfs/dbraw/zinc/74/22/73/1264742273.db2.gz OMCIQHHKFVCEQR-FQEVSTJZSA-N 0 3 344.455 2.712 20 10 EFCDHN COc1cccc([O-])c1C[NH2+]CCc1nc2c(cccc2F)n1C ZINC000733334301 1265173959 /nfs/dbraw/zinc/17/39/59/1265173959.db2.gz FEMVWYOPIBNLAU-UHFFFAOYSA-N 0 3 329.375 2.759 20 10 EFCDHN Fc1cc(CN2CCSC[C@@H]2C2CC2)ccc1N1CCOCC1 ZINC000824914804 1278342434 /nfs/dbraw/zinc/34/24/34/1278342434.db2.gz ZPVOPDONEOJTSM-GOSISDBHSA-N 0 3 336.476 2.990 20 10 EFCDHN CCc1ccc([C@H](CNC(=O)c2cccc(O)c2O)N(C)C)cc1 ZINC000186760166 1267683309 /nfs/dbraw/zinc/68/33/09/1267683309.db2.gz DSZQPOAIRXCTPE-INIZCTEOSA-N 0 3 328.412 2.693 20 10 EFCDHN COCC(COC)[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000824921813 1278354379 /nfs/dbraw/zinc/35/43/79/1278354379.db2.gz SUBNXKAFZCRTHO-UHFFFAOYSA-N 0 3 331.412 2.722 20 10 EFCDHN CNC(=O)C[C@@H](C)[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000825068305 1278404210 /nfs/dbraw/zinc/40/42/10/1278404210.db2.gz NLSUXIVHDAKGCL-CQSZACIVSA-N 0 3 328.412 2.585 20 10 EFCDHN NC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000825278577 1278492062 /nfs/dbraw/zinc/49/20/62/1278492062.db2.gz FRWWDDWCSKZPIE-WBVHZDCISA-N 0 3 340.423 2.715 20 10 EFCDHN CN(C)C(=O)N[C@H]1CCC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000825279120 1278491148 /nfs/dbraw/zinc/49/11/48/1278491148.db2.gz OKFKUMDNLSOUOK-HNNXBMFYSA-N 0 3 327.428 2.781 20 10 EFCDHN CN(C)C(=O)N[C@H]1CCC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000825279120 1278491150 /nfs/dbraw/zinc/49/11/50/1278491150.db2.gz OKFKUMDNLSOUOK-HNNXBMFYSA-N 0 3 327.428 2.781 20 10 EFCDHN CC[C@@H](NCc1ccc(N(C)Cc2cccs2)cc1)C(=O)NC ZINC000825316606 1278504595 /nfs/dbraw/zinc/50/45/95/1278504595.db2.gz PYMHDMOQNICBJS-QGZVFWFLSA-N 0 3 331.485 2.999 20 10 EFCDHN O=C1C[C@H](NCc2ccc3c(c2)CCO3)CN1[C@H]1C[C@@H]1c1ccccc1 ZINC000742391079 1270018099 /nfs/dbraw/zinc/01/80/99/1270018099.db2.gz BZSZZTOIEJSGGY-ZCNNSNEGSA-N 0 3 348.446 2.868 20 10 EFCDHN C[C@@H]1CC[C@H](C)N1CC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000746133574 1271810500 /nfs/dbraw/zinc/81/05/00/1271810500.db2.gz VTOGODCOXXCNGU-IYBDPMFKSA-N 0 3 347.528 2.729 20 10 EFCDHN Cc1ccccc1CN1CCCN(C(=O)Cc2ccc(N)cc2)CC1 ZINC000746306138 1271972801 /nfs/dbraw/zinc/97/28/01/1271972801.db2.gz IWJZDICDKWDUQW-UHFFFAOYSA-N 0 3 337.467 2.854 20 10 EFCDHN CCN(CC)C(=O)C[C@@H](C)N1CCN(c2ccc(OC)cc2C)CC1 ZINC001169487086 1272976802 /nfs/dbraw/zinc/97/68/02/1272976802.db2.gz PMCGUGKOEHSKOH-QGZVFWFLSA-N 0 3 347.503 2.773 20 10 EFCDHN [O-]c1cc(Br)ccc1C[NH2+][C@@H]1CCN2CCCC[C@@H]12 ZINC000691445145 1274054981 /nfs/dbraw/zinc/05/49/81/1274054981.db2.gz OPEBZCOONZHXKZ-KGLIPLIRSA-N 0 3 325.250 2.871 20 10 EFCDHN [O-]c1cc(Br)ccc1C[NH2+][C@@H]1CCN2CCCC[C@H]12 ZINC000691445149 1274055153 /nfs/dbraw/zinc/05/51/53/1274055153.db2.gz OPEBZCOONZHXKZ-ZIAGYGMSSA-N 0 3 325.250 2.871 20 10 EFCDHN O=C1[C@@H](NCc2cc3c(cc2O)OCO3)CCCN1C1CCCCC1 ZINC000785549556 1275115650 /nfs/dbraw/zinc/11/56/50/1275115650.db2.gz VPPHJKARFJZBSP-HNNXBMFYSA-N 0 3 346.427 2.534 20 10 EFCDHN COc1ccc(N(C)CCN(C)C[C@H](O)c2ccc(F)cc2)cc1 ZINC000844399455 1278948160 /nfs/dbraw/zinc/94/81/60/1278948160.db2.gz JZNOEWBFSCNDLQ-IBGZPJMESA-N 0 3 332.419 2.936 20 10 EFCDHN O=C(NCc1ccc(N2CCCCC2)cc1)[C@H]1CCCN1C1CC1 ZINC000787248032 1275721820 /nfs/dbraw/zinc/72/18/20/1275721820.db2.gz NKWAMZWZSQEPJU-LJQANCHMSA-N 0 3 327.472 2.920 20 10 EFCDHN O=C(NCc1ccc(N2CCCCC2)cc1)[C@@H]1CCCN1C1CC1 ZINC000787248030 1275721929 /nfs/dbraw/zinc/72/19/29/1275721929.db2.gz NKWAMZWZSQEPJU-IBGZPJMESA-N 0 3 327.472 2.920 20 10 EFCDHN COc1ccc2ccc([O-])c(C[N@H+](C)[C@@H](C)CN3CCOCC3)c2c1 ZINC000788376643 1276156975 /nfs/dbraw/zinc/15/69/75/1276156975.db2.gz ARRYXWJOLIFWBP-HNNXBMFYSA-N 0 3 344.455 2.707 20 10 EFCDHN COc1ccc2ccc([O-])c(C[N@@H+](C)[C@@H](C)CN3CCOCC3)c2c1 ZINC000788376643 1276156979 /nfs/dbraw/zinc/15/69/79/1276156979.db2.gz ARRYXWJOLIFWBP-HNNXBMFYSA-N 0 3 344.455 2.707 20 10 EFCDHN CCN(C)C(=O)[C@@H](C)[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-] ZINC000788981723 1276449134 /nfs/dbraw/zinc/44/91/34/1276449134.db2.gz GAFLIQHYVMHCNB-GHMZBOCLSA-N 0 3 343.265 2.981 20 10 EFCDHN COc1ccc(N2CC[C@@H](CNCc3cn4ccccc4n3)C2)cc1 ZINC000818219447 1276493572 /nfs/dbraw/zinc/49/35/72/1276493572.db2.gz GHCNUQOASQJAHQ-INIZCTEOSA-N 0 3 336.439 2.959 20 10 EFCDHN COc1ccc(N2CC[C@@H](CNCc3ncc(Cl)n3C)C2)cc1 ZINC000818221514 1276493730 /nfs/dbraw/zinc/49/37/30/1276493730.db2.gz NMOPLRVQSJYAPA-ZDUSSCGKSA-N 0 3 334.851 2.698 20 10 EFCDHN COc1ccc(N2CC[C@@H](CN[C@@H](c3nccn3C)C3CC3)C2)cc1 ZINC000818342853 1276511681 /nfs/dbraw/zinc/51/16/81/1276511681.db2.gz VXQHEOJNKPQYBG-HNAYVOBHSA-N 0 3 340.471 2.996 20 10 EFCDHN [O-]c1cc2c(cc1C[NH+]1CCC(CC(F)(F)F)CC1)[C@H](O)CO2 ZINC000789526235 1276783374 /nfs/dbraw/zinc/78/33/74/1276783374.db2.gz ACXZISVTGHQOFG-CQSZACIVSA-N 0 3 331.334 2.982 20 10 EFCDHN Oc1cc2c(cc1CN1CCC(CC(F)(F)F)CC1)[C@H](O)CO2 ZINC000789526235 1276783384 /nfs/dbraw/zinc/78/33/84/1276783384.db2.gz ACXZISVTGHQOFG-CQSZACIVSA-N 0 3 331.334 2.982 20 10 EFCDHN CC(C)(C)c1cc(O)c(O)c(CN2CCC[C@H](n3ccnn3)C2)c1 ZINC000819896747 1276937760 /nfs/dbraw/zinc/93/77/60/1276937760.db2.gz KPWVWYOYFTWXND-HNNXBMFYSA-N 0 3 330.432 2.824 20 10 EFCDHN [O-]c1ccc(Cl)c(F)c1C[NH2+]C1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000790977405 1277909977 /nfs/dbraw/zinc/90/99/77/1277909977.db2.gz KOWNZENTYGTEED-ZBFHGGJFSA-N 0 3 342.842 2.652 20 10 EFCDHN [O-]c1ccc(Cl)c(F)c1CNC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000790977405 1277909980 /nfs/dbraw/zinc/90/99/80/1277909980.db2.gz KOWNZENTYGTEED-ZBFHGGJFSA-N 0 3 342.842 2.652 20 10 EFCDHN CCN(C)c1ccc(CN2[C@@H]3C[C@@H](C(=O)OC)O[C@H]3CC[C@H]2C)cc1 ZINC000815112417 1287310683 /nfs/dbraw/zinc/31/06/83/1287310683.db2.gz QCXNMPKLGIAIHW-OAOYMFHYSA-N 0 3 346.471 2.826 20 10 EFCDHN CCN(C)c1ccc(CN[C@@H](C(N)=O)[C@H](C)c2ccccc2)cc1 ZINC000815121848 1287315338 /nfs/dbraw/zinc/31/53/38/1287315338.db2.gz YVFIPJHTYUPVEP-DNVCBOLYSA-N 0 3 325.456 2.890 20 10 EFCDHN COc1cc(Br)cc(C[NH2+][C@@H](CO)CC2CCC2)c1[O-] ZINC000793324464 1279548918 /nfs/dbraw/zinc/54/89/18/1279548918.db2.gz ZWIXEELYLQQIFN-CYBMUJFWSA-N 0 3 344.249 2.804 20 10 EFCDHN COc1ccc(C[NH2+]Cc2ccc3c(c2)CCC(=O)N3C)c([O-])c1 ZINC000793388467 1279614457 /nfs/dbraw/zinc/61/44/57/1279614457.db2.gz OOCFJQQENMVMBQ-UHFFFAOYSA-N 0 3 326.396 2.600 20 10 EFCDHN Cc1cc([C@@H](C)N[C@@H](C)c2ccc(N3CCOCC3)cc2)n(C)n1 ZINC000793524734 1279716627 /nfs/dbraw/zinc/71/66/27/1279716627.db2.gz HPKXVWWNEQWXAT-JKSUJKDBSA-N 0 3 328.460 2.977 20 10 EFCDHN CCN(CC)c1ccc(CN2CCN(C[C@@H](C)O)C[C@H]2C)cc1F ZINC000793591853 1279761985 /nfs/dbraw/zinc/76/19/85/1279761985.db2.gz RVFKNPKDCICQFC-HZPDHXFCSA-N 0 3 337.483 2.559 20 10 EFCDHN CCN(CC)c1ccc(CN2CCN(C[C@H](C)O)C[C@H]2C)cc1F ZINC000793591851 1279762180 /nfs/dbraw/zinc/76/21/80/1279762180.db2.gz RVFKNPKDCICQFC-CVEARBPZSA-N 0 3 337.483 2.559 20 10 EFCDHN COc1ccc(O)c([C@H](C)NCc2cc(Br)nn2C)c1 ZINC000845970948 1279948438 /nfs/dbraw/zinc/94/84/38/1279948438.db2.gz GCDFUWXVIMJEDN-VIFPVBQESA-N 0 3 340.221 2.748 20 10 EFCDHN COc1cccc([C@@H](C)N[C@@H]2CCN(c3ccccc3)C2=O)c1O ZINC000846148513 1280037269 /nfs/dbraw/zinc/03/72/69/1280037269.db2.gz FUCJOIDZZOAKNN-CZUORRHYSA-N 0 3 326.396 2.857 20 10 EFCDHN COc1cccc([C@@H](C)N[C@@H]2CCN(C3CCCCC3)C2=O)c1O ZINC000846152309 1280039235 /nfs/dbraw/zinc/03/92/35/1280039235.db2.gz ABHBGBSVSPMHHE-CZUORRHYSA-N 0 3 332.444 2.985 20 10 EFCDHN COc1cccc([C@H](C)NCc2cccc(S(C)(=O)=O)c2)c1O ZINC000846167857 1280045425 /nfs/dbraw/zinc/04/54/25/1280045425.db2.gz FSTCOEXVWHMWDL-LBPRGKRZSA-N 0 3 335.425 2.655 20 10 EFCDHN COc1cccc([C@@H](C)N[C@@H](C)C(=O)NCc2ccccc2)c1O ZINC000846142560 1280051331 /nfs/dbraw/zinc/05/13/31/1280051331.db2.gz VKRQRRAXYJPCLF-KGLIPLIRSA-N 0 3 328.412 2.756 20 10 EFCDHN COc1cccc([C@@H](C)NCCS(=O)(=O)c2ccccc2)c1O ZINC000846146995 1280053518 /nfs/dbraw/zinc/05/35/18/1280053518.db2.gz ULRVHJNTGLUERK-CYBMUJFWSA-N 0 3 335.425 2.525 20 10 EFCDHN CN(Cc1ccc(N2CCOCC2)cc1)Cc1ccc2nonc2c1 ZINC000846766204 1280467498 /nfs/dbraw/zinc/46/74/98/1280467498.db2.gz PHTQWQZIFXAXHT-UHFFFAOYSA-N 0 3 338.411 2.691 20 10 EFCDHN Cn1cncc1CCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000846823871 1280518996 /nfs/dbraw/zinc/51/89/96/1280518996.db2.gz BDAINUYGODCPBC-GOSISDBHSA-N 0 3 329.444 2.740 20 10 EFCDHN Cn1cncc1CCC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000846823871 1280519005 /nfs/dbraw/zinc/51/90/05/1280519005.db2.gz BDAINUYGODCPBC-GOSISDBHSA-N 0 3 329.444 2.740 20 10 EFCDHN COc1cc([C@H](C)NCc2ccc(N3CCOCC3)cc2)ccn1 ZINC000808432456 1281726483 /nfs/dbraw/zinc/72/64/83/1281726483.db2.gz NINMVNXJHAKPGZ-HNNXBMFYSA-N 0 3 327.428 2.778 20 10 EFCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCS(=O)(=O)CC2CC2)c1[O-] ZINC000808706461 1281866501 /nfs/dbraw/zinc/86/65/01/1281866501.db2.gz KQDGFONFELIGKR-NSHDSACASA-N 0 3 331.865 2.829 20 10 EFCDHN CC[C@H]([NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-])C(=O)N1CCOCC1 ZINC000808700382 1281879074 /nfs/dbraw/zinc/87/90/74/1281879074.db2.gz FONGEBUAUPVAPS-WFASDCNBSA-N 0 3 340.851 2.642 20 10 EFCDHN CCOc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c([O-])c1 ZINC000809697523 1282382165 /nfs/dbraw/zinc/38/21/65/1282382165.db2.gz IIZVRJRQKFMAIS-OCCSQVGLSA-N 0 3 333.350 2.784 20 10 EFCDHN CCOc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c([O-])c1 ZINC000809697523 1282382179 /nfs/dbraw/zinc/38/21/79/1282382179.db2.gz IIZVRJRQKFMAIS-OCCSQVGLSA-N 0 3 333.350 2.784 20 10 EFCDHN CC[C@H]([NH2+]C[C@H]1CCCC[C@H]1NS(C)(=O)=O)c1ccccc1[O-] ZINC000809701386 1282388701 /nfs/dbraw/zinc/38/87/01/1282388701.db2.gz FGZPCZTXVSMECK-VNQPRFMTSA-N 0 3 340.489 2.541 20 10 EFCDHN CCOc1ccc(O)c(CN2CCCC[C@H]2COC(=O)N(C)C)c1 ZINC000809710506 1282421260 /nfs/dbraw/zinc/42/12/60/1282421260.db2.gz ZEXZKHUJIYVVRN-HNNXBMFYSA-N 0 3 336.432 2.844 20 10 EFCDHN [O-]c1c(F)cc(Br)cc1C[NH2+]CCCN1CCCC1 ZINC000715793458 1284332051 /nfs/dbraw/zinc/33/20/51/1284332051.db2.gz VVCXXJZHWYWDSL-UHFFFAOYSA-N 0 3 331.229 2.869 20 10 EFCDHN COCCOCc1ccc(C[NH2+]Cc2c([O-])cccc2OC)cc1 ZINC000812773538 1285407837 /nfs/dbraw/zinc/40/78/37/1285407837.db2.gz ZNOMATDMLWBSDH-UHFFFAOYSA-N 0 3 331.412 2.854 20 10 EFCDHN CN(C)c1ccc(CN[C@H]2CC(=O)N(c3ccccc3F)C2)cc1F ZINC000812782674 1285415649 /nfs/dbraw/zinc/41/56/49/1285415649.db2.gz CQPUZUADBJDKJK-AWEZNQCLSA-N 0 3 345.393 2.926 20 10 EFCDHN O=C(c1ccccc1)N1CCC[C@H]([NH2+]Cc2ccc(O)cc2[O-])CC1 ZINC001171871174 1285832039 /nfs/dbraw/zinc/83/20/39/1285832039.db2.gz JCBKFTKDPTXRQO-KRWDZBQOSA-N 0 3 340.423 2.882 20 10 EFCDHN CCCc1nc(C)c(CNCc2ccc(N3CCN(C)CC3)cc2)o1 ZINC000813792683 1286120368 /nfs/dbraw/zinc/12/03/68/1286120368.db2.gz URYFGSATWDGZKS-UHFFFAOYSA-N 0 3 342.487 2.977 20 10 EFCDHN Fc1cc(CN2CCOC[C@H](C3CCC3)C2)ccc1N1CCOCC1 ZINC000814178571 1286362216 /nfs/dbraw/zinc/36/22/16/1286362216.db2.gz VROQXJOPNPXGLP-GOSISDBHSA-N 0 3 348.462 2.911 20 10 EFCDHN Cn1c2ccc(CNCc3ccc4c(c3)CCCN4C)cc2oc1=O ZINC000816543231 1288197592 /nfs/dbraw/zinc/19/75/92/1288197592.db2.gz SCZSNBKWTVKREA-UHFFFAOYSA-N 0 3 337.423 2.804 20 10 EFCDHN COc1cc(Br)cc(CN2C[C@@H](C)N(C)[C@@H](C)C2)c1O ZINC000816654081 1288229736 /nfs/dbraw/zinc/22/97/36/1288229736.db2.gz STIBMOGOUZQUMN-PHIMTYICSA-N 0 3 343.265 2.688 20 10 EFCDHN CN1CCN(c2ccc(CN3C[C@]4(CCCO4)[C@@H]3C3CC3)cc2)CC1 ZINC000816666291 1288236002 /nfs/dbraw/zinc/23/60/02/1288236002.db2.gz JLXQTSPBEXLLCR-LEWJYISDSA-N 0 3 341.499 2.582 20 10 EFCDHN Cc1cc(Br)c([O-])c(C[N@H+](C)C[C@H]2CCCN2C)c1 ZINC000817417015 1288592675 /nfs/dbraw/zinc/59/26/75/1288592675.db2.gz ARLSTKLHNPXJGK-CYBMUJFWSA-N 0 3 327.266 2.989 20 10 EFCDHN Cc1cc(Br)c([O-])c(CN(C)C[C@H]2CCC[N@@H+]2C)c1 ZINC000817417015 1288592678 /nfs/dbraw/zinc/59/26/78/1288592678.db2.gz ARLSTKLHNPXJGK-CYBMUJFWSA-N 0 3 327.266 2.989 20 10 EFCDHN Cc1cc(Br)c([O-])c(CN(C)C[C@H]2CCC[N@H+]2C)c1 ZINC000817417015 1288592681 /nfs/dbraw/zinc/59/26/81/1288592681.db2.gz ARLSTKLHNPXJGK-CYBMUJFWSA-N 0 3 327.266 2.989 20 10 EFCDHN Cc1cc(Br)c([O-])c(C[N@@H+](C)C[C@H]2CCCN2C)c1 ZINC000817417015 1288592673 /nfs/dbraw/zinc/59/26/73/1288592673.db2.gz ARLSTKLHNPXJGK-CYBMUJFWSA-N 0 3 327.266 2.989 20 10 EFCDHN COC(=O)c1c(CN2CCC[C@@]3(CCOC3)C2)c2ccccc2n1C ZINC001232402820 1312693994 /nfs/dbraw/zinc/69/39/94/1312693994.db2.gz QGJNLAYSKFZTBK-HXUWFJFHSA-N 0 3 342.439 2.967 20 10 EFCDHN COC(=O)c1c(CN2CCC[C@]23CCOC3)c2ccccc2n1C ZINC001232403631 1312695180 /nfs/dbraw/zinc/69/51/80/1312695180.db2.gz AEDIGLIBSPPNIU-LJQANCHMSA-N 0 3 328.412 2.720 20 10 EFCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@H](Oc3ccc(F)cc3)C1)[C@@H](O)CO2 ZINC000872802262 1289391229 /nfs/dbraw/zinc/39/12/29/1289391229.db2.gz MJCCYRJSJPXZAW-YJBOKZPZSA-N 0 3 345.370 2.610 20 10 EFCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@H](Oc3ccc(F)cc3)C1)[C@@H](O)CO2 ZINC000872802262 1289391242 /nfs/dbraw/zinc/39/12/42/1289391242.db2.gz MJCCYRJSJPXZAW-YJBOKZPZSA-N 0 3 345.370 2.610 20 10 EFCDHN CCCOc1ccc(CNCC2(S(C)(=O)=O)CCC2)cc1C ZINC000873118559 1289577394 /nfs/dbraw/zinc/57/73/94/1289577394.db2.gz MQTQGRWOCYYOEE-UHFFFAOYSA-N 0 3 325.474 2.841 20 10 EFCDHN O=c1[nH]c2cc(CNCc3ccc(N4CCOCC4)cc3)ccc2o1 ZINC000873173024 1289619600 /nfs/dbraw/zinc/61/96/00/1289619600.db2.gz LLIDKIPFBLKWLR-UHFFFAOYSA-N 0 3 339.395 2.660 20 10 EFCDHN Cc1cc([O-])c(CN2CCN(CC[NH+]3CCCC3)CC2)cc1Cl ZINC000824529970 1289683704 /nfs/dbraw/zinc/68/37/04/1289683704.db2.gz RQRUBYUTDVOZMG-UHFFFAOYSA-N 0 3 337.895 2.567 20 10 EFCDHN CCOC(=O)c1cnn(C2CC[NH+](Cc3cc(F)ccc3[O-])CC2)c1 ZINC000824608485 1289724333 /nfs/dbraw/zinc/72/43/33/1289724333.db2.gz HCLCTQHPFLHKNO-UHFFFAOYSA-N 0 3 347.390 2.742 20 10 EFCDHN Cc1cc([O-])c(C[NH2+]CCCN2CCCO[C@@H](C)C2)cc1Cl ZINC000825697580 1290045735 /nfs/dbraw/zinc/04/57/35/1290045735.db2.gz HITAPIJQTHPNPZ-AWEZNQCLSA-N 0 3 326.868 2.945 20 10 EFCDHN O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1CCN1C1CCCC1 ZINC000874002241 1290159366 /nfs/dbraw/zinc/15/93/66/1290159366.db2.gz XEJNVMKBXSMVOQ-LJQANCHMSA-N 0 3 327.472 2.920 20 10 EFCDHN C[NH+](C)CCCCC(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001184060638 1290419227 /nfs/dbraw/zinc/41/92/27/1290419227.db2.gz IMSWEQKINNSIPV-UHFFFAOYSA-N 0 3 335.835 2.942 20 10 EFCDHN COc1cccc(N2CCN(Cc3ccc(N(C)C)cc3O)CC2)c1 ZINC001232834955 1312791043 /nfs/dbraw/zinc/79/10/43/1312791043.db2.gz RXSUJQDWZJCDNP-UHFFFAOYSA-N 0 3 341.455 2.789 20 10 EFCDHN CN(C)c1ccc(CN2CCCN(C(=O)OC(C)(C)C)CC2)c(O)c1 ZINC001232836909 1312791638 /nfs/dbraw/zinc/79/16/38/1312791638.db2.gz WGKXGAYFGVOURG-UHFFFAOYSA-N 0 3 349.475 2.901 20 10 EFCDHN COC(=O)c1ccc2c(c1)CN(Cc1ccc(N(C)C)cc1O)CC2 ZINC001232840089 1312792317 /nfs/dbraw/zinc/79/23/17/1312792317.db2.gz MJWYZMAPNRYSHT-UHFFFAOYSA-N 0 3 340.423 2.803 20 10 EFCDHN [O-]c1ccc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)cc1F ZINC000877058013 1291120680 /nfs/dbraw/zinc/12/06/80/1291120680.db2.gz SBSHSYHRAUCVIM-UHFFFAOYSA-N 0 3 330.403 2.782 20 10 EFCDHN Cc1cccc([O-])c1C[NH2+]C[C@H](Cc1ccccc1Cl)C(N)=O ZINC000877322137 1291192368 /nfs/dbraw/zinc/19/23/68/1291192368.db2.gz WZAOKUKCPVSFOC-AWEZNQCLSA-N 0 3 332.831 2.788 20 10 EFCDHN Cc1ccc(C[NH2+]Cc2ccc(N3CCCS3(=O)=O)cc2)c([O-])c1 ZINC000877369474 1291213536 /nfs/dbraw/zinc/21/35/36/1291213536.db2.gz ZVJYCWMHVBWNGF-UHFFFAOYSA-N 0 3 346.452 2.530 20 10 EFCDHN Cc1cccc(O)c1CNCc1ccncc1OC[C@@H]1CCOC1 ZINC000877534881 1291265230 /nfs/dbraw/zinc/26/52/30/1291265230.db2.gz POFCFIRURDGUHS-OAHLLOKOSA-N 0 3 328.412 2.801 20 10 EFCDHN COC(=O)[C@@H]1C[N@H+](Cc2c(C)cccc2[O-])C[C@H]1c1ccc(O)cc1 ZINC000877655056 1291313290 /nfs/dbraw/zinc/31/32/90/1291313290.db2.gz MJRNAAZKTLXYCN-ZWKOTPCHSA-N 0 3 341.407 2.795 20 10 EFCDHN COC(=O)[C@@H]1C[N@@H+](Cc2c(C)cccc2[O-])C[C@H]1c1ccc(O)cc1 ZINC000877655056 1291313300 /nfs/dbraw/zinc/31/33/00/1291313300.db2.gz MJRNAAZKTLXYCN-ZWKOTPCHSA-N 0 3 341.407 2.795 20 10 EFCDHN CCN(CC)c1ccc(CN2CCC(C(=O)NOC)CC2)cc1F ZINC000877786655 1291380577 /nfs/dbraw/zinc/38/05/77/1291380577.db2.gz RVEROVHTZCRNMV-UHFFFAOYSA-N 0 3 337.439 2.562 20 10 EFCDHN COc1ccc(OC)c([C@@H](O)[C@@H](C)[NH2+]Cc2cc(F)ccc2[O-])c1 ZINC000877831918 1291400497 /nfs/dbraw/zinc/40/04/97/1291400497.db2.gz BYTONHFDNBRWIY-ZMZPIMSZSA-N 0 3 335.375 2.760 20 10 EFCDHN CCOC(=O)c1c(CN2CCCC[C@@H](O)C2)c2ccccc2n1C ZINC001233270557 1312890045 /nfs/dbraw/zinc/89/00/45/1312890045.db2.gz RPAGDAIENCPHCM-CQSZACIVSA-N 0 3 330.428 2.702 20 10 EFCDHN CCOC(=O)c1c(CN2C[C@H]3CC[C@@H](C2)N3C)c2ccccc2n1C ZINC001233273070 1312890935 /nfs/dbraw/zinc/89/09/35/1312890935.db2.gz MVMHISHZIQIMLX-GASCZTMLSA-N 0 3 341.455 2.633 20 10 EFCDHN COC(=O)[C@H]1COCCC12CN(Cc1cc(C(C)(C)C)ccc1O)C2 ZINC001233286973 1312895421 /nfs/dbraw/zinc/89/54/21/1312895421.db2.gz QUJWFXYPTRZCEL-MRXNPFEDSA-N 0 3 347.455 2.701 20 10 EFCDHN COC(=O)CC[C@@H]1CC[N@H+](Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC001233290011 1312896414 /nfs/dbraw/zinc/89/64/14/1312896414.db2.gz CTPDFWJSMWWPHN-LLVKDONJSA-N 0 3 327.808 2.829 20 10 EFCDHN COC(=O)CC[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC001233290011 1312896418 /nfs/dbraw/zinc/89/64/18/1312896418.db2.gz CTPDFWJSMWWPHN-LLVKDONJSA-N 0 3 327.808 2.829 20 10 EFCDHN COc1cc(CN[C@@H](C)c2ccc(N(C)C)cc2)ccc1OCCO ZINC000127661933 1292074291 /nfs/dbraw/zinc/07/42/91/1292074291.db2.gz KMZXHLPGADSSHJ-HNNXBMFYSA-N 0 3 344.455 2.983 20 10 EFCDHN COc1ccc(O)c([C@H](C)N[C@@H](C)C(=O)NCCc2ccccc2)c1 ZINC000775372506 1292102324 /nfs/dbraw/zinc/10/23/24/1292102324.db2.gz CRCZPVPGVBWCOK-GJZGRUSLSA-N 0 3 342.439 2.799 20 10 EFCDHN [O-]c1ccc(F)c(F)c1C[NH+]1C[C@H]2CN(Cc3cccnc3)C[C@@H]2C1 ZINC001233333495 1312905934 /nfs/dbraw/zinc/90/59/34/1312905934.db2.gz XUKYJLFVDCFMSP-HUUCEWRRSA-N 0 3 345.393 2.629 20 10 EFCDHN [O-]c1ccc(F)c(F)c1CN1C[C@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001233333495 1312905938 /nfs/dbraw/zinc/90/59/38/1312905938.db2.gz XUKYJLFVDCFMSP-HUUCEWRRSA-N 0 3 345.393 2.629 20 10 EFCDHN C[C@@H]([NH2+]CC(=O)NCCCN(C)c1ccccc1)c1ccccc1[O-] ZINC000879647910 1292216729 /nfs/dbraw/zinc/21/67/29/1292216729.db2.gz QIOHOEIRDOLYBT-MRXNPFEDSA-N 0 3 341.455 2.686 20 10 EFCDHN CCOc1ccc(OC[C@H](O)C[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000879647950 1292218529 /nfs/dbraw/zinc/21/85/29/1292218529.db2.gz RZXFUGVZUINSAO-HUUCEWRRSA-N 0 3 331.412 2.881 20 10 EFCDHN CCOc1cccc(CNC(=O)C[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000879648378 1292218802 /nfs/dbraw/zinc/21/88/02/1292218802.db2.gz LZQXKLXODRDHFX-CQSZACIVSA-N 0 3 328.412 2.758 20 10 EFCDHN CC[C@@H]([NH2+]CCOc1ccc(S(C)(=O)=O)cc1)c1ccccc1[O-] ZINC000775410921 1292303028 /nfs/dbraw/zinc/30/30/28/1292303028.db2.gz CJXLRNQAXWKCHT-QGZVFWFLSA-N 0 3 349.452 2.915 20 10 EFCDHN Oc1cc(C(F)(F)F)ccc1CN1CCN(C[C@@H]2CCCO2)CC1 ZINC001233454261 1312935033 /nfs/dbraw/zinc/93/50/33/1312935033.db2.gz NTZFZBKFRWNXQF-HNNXBMFYSA-N 0 3 344.377 2.708 20 10 EFCDHN [O-]c1cc(C(F)(F)F)ccc1CN1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001233455540 1312936312 /nfs/dbraw/zinc/93/63/12/1312936312.db2.gz PCGHYBSZBNVLKS-OAHLLOKOSA-N 0 3 344.377 2.708 20 10 EFCDHN COC(=O)[C@H]1CCN(Cc2cc(O)c(O)cc2O)[C@H]1c1ccccc1 ZINC001233487990 1312941211 /nfs/dbraw/zinc/94/12/11/1312941211.db2.gz ZSDFPJKAFCMEBO-KSSFIOAISA-N 0 3 343.379 2.540 20 10 EFCDHN O=C1NCc2ccccc2CC12CC[NH+](Cc1ccccc1[O-])CC2 ZINC001203555857 1312955200 /nfs/dbraw/zinc/95/52/00/1312955200.db2.gz HOYYEXTXQTYPNI-UHFFFAOYSA-N 0 3 336.435 2.847 20 10 EFCDHN CC[C@@H]([NH2+]C[C@H](C)N1CCN(C)CC1)c1cc(Cl)ccc1[O-] ZINC000775502210 1292789968 /nfs/dbraw/zinc/78/99/68/1292789968.db2.gz QHRILCPMGPSQSA-XJKSGUPXSA-N 0 3 325.884 2.722 20 10 EFCDHN CCN1CCn2c(C)cnc2C12CC[NH+](Cc1ccccc1[O-])CC2 ZINC001203552301 1312954116 /nfs/dbraw/zinc/95/41/16/1312954116.db2.gz IIIIPJMVIZMCLX-UHFFFAOYSA-N 0 3 340.471 2.724 20 10 EFCDHN Cn1cc([C@H]2COC3(C2)CC[NH+](Cc2ccccc2[O-])CC3)cn1 ZINC001203551821 1312954553 /nfs/dbraw/zinc/95/45/53/1312954553.db2.gz PBZYEOYCRNHXNQ-MRXNPFEDSA-N 0 3 327.428 2.664 20 10 EFCDHN CO[C@@H](CN1CCN(Cc2ccccc2O)CC1)c1ccccc1 ZINC001203558640 1312956366 /nfs/dbraw/zinc/95/63/66/1312956366.db2.gz RSOJHLZTBZQXCJ-FQEVSTJZSA-N 0 3 326.440 2.898 20 10 EFCDHN O=C(N[C@@H]1CCCN(Cc2ccccc2O)C1)c1cccc(F)c1 ZINC001203561734 1312956774 /nfs/dbraw/zinc/95/67/74/1312956774.db2.gz YOKNUNXWQXQQSE-QGZVFWFLSA-N 0 3 328.387 2.926 20 10 EFCDHN O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2[O-])C1)c1cccc(F)c1 ZINC001203561734 1312956777 /nfs/dbraw/zinc/95/67/77/1312956777.db2.gz YOKNUNXWQXQQSE-QGZVFWFLSA-N 0 3 328.387 2.926 20 10 EFCDHN O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2[O-])C1)c1cccc(F)c1 ZINC001203561734 1312956781 /nfs/dbraw/zinc/95/67/81/1312956781.db2.gz YOKNUNXWQXQQSE-QGZVFWFLSA-N 0 3 328.387 2.926 20 10 EFCDHN CN1CCC[C@@H](NCc2ccc3c(c2)CCN3Cc2ccccc2)C1=O ZINC000796314434 1292867207 /nfs/dbraw/zinc/86/72/07/1292867207.db2.gz DPCZUZKLDZZLRK-HXUWFJFHSA-N 0 3 349.478 2.960 20 10 EFCDHN C[C@@H](NCc1ccc2c(c1)CCN2Cc1ccccc1)C(=O)N(C)C ZINC000796315209 1292868199 /nfs/dbraw/zinc/86/81/99/1292868199.db2.gz HQCOBLAQVFIVOM-MRXNPFEDSA-N 0 3 337.467 2.816 20 10 EFCDHN C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)Cc1ccccc1[O-] ZINC000129063840 1292919039 /nfs/dbraw/zinc/91/90/39/1292919039.db2.gz JDQBLGZEAUDJTI-UHFFFAOYSA-N 0 3 347.346 2.900 20 10 EFCDHN C[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)Cc1ccccc1[O-] ZINC000129063840 1292919043 /nfs/dbraw/zinc/91/90/43/1292919043.db2.gz JDQBLGZEAUDJTI-UHFFFAOYSA-N 0 3 347.346 2.900 20 10 EFCDHN COc1cccc(CN2C[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@H]32)c1O ZINC001203590284 1312965086 /nfs/dbraw/zinc/96/50/86/1312965086.db2.gz VSVKKGQKZOXBNN-LSDHHAIUSA-N 0 3 348.443 2.842 20 10 EFCDHN COc1cccc(CN2CC[C@H]3O[C@@H](c4nc(C)no4)CC[C@H]32)c1O ZINC001203591582 1312965375 /nfs/dbraw/zinc/96/53/75/1312965375.db2.gz JQIQEFMAXFSURK-IIAWOOMASA-N 0 3 345.399 2.587 20 10 EFCDHN COc1cccc(CN2CC3(CC(NC(=O)OC(C)(C)C)C3)C2)c1O ZINC001203595518 1312966215 /nfs/dbraw/zinc/96/62/15/1312966215.db2.gz GYRYEIUFQSRSTD-UHFFFAOYSA-N 0 3 348.443 2.890 20 10 EFCDHN COc1cccc(CN2CCC(Oc3cc(C)ncn3)CC2)c1O ZINC001203601717 1312967375 /nfs/dbraw/zinc/96/73/75/1312967375.db2.gz IBBMSJVILFWENG-UHFFFAOYSA-N 0 3 329.400 2.543 20 10 EFCDHN COC(=O)c1ccc(C2CN(Cc3cccc(OC)c3O)C2)cc1 ZINC001203601756 1312967478 /nfs/dbraw/zinc/96/74/78/1312967478.db2.gz JTNFNEVJTHBMCO-UHFFFAOYSA-N 0 3 327.380 2.787 20 10 EFCDHN CCOc1cccc(CN2CCC[C@@H](C(F)(F)F)[C@H]2CO)c1O ZINC001203602499 1312968211 /nfs/dbraw/zinc/96/82/11/1312968211.db2.gz ZULPVUMTEPHFBW-CHWSQXEVSA-N 0 3 333.350 2.926 20 10 EFCDHN CCOc1cccc(CN2CC[C@](O)(C(F)(F)F)[C@H](C)C2)c1O ZINC001203602393 1312968390 /nfs/dbraw/zinc/96/83/90/1312968390.db2.gz UEBWOMMTQFKABY-IAQYHMDHSA-N 0 3 333.350 2.926 20 10 EFCDHN CCOc1cccc(CN2CC[C@@](O)(C(F)(F)F)[C@H](C)C2)c1O ZINC001203602392 1312968420 /nfs/dbraw/zinc/96/84/20/1312968420.db2.gz UEBWOMMTQFKABY-ABAIWWIYSA-N 0 3 333.350 2.926 20 10 EFCDHN CCOc1cccc(CN2C[C@@H]3CN(C(=O)OC(C)(C)C)[C@@H]3C2)c1O ZINC001203615717 1312971943 /nfs/dbraw/zinc/97/19/43/1312971943.db2.gz YUEYXNVTUFSWKL-HUUCEWRRSA-N 0 3 348.443 2.842 20 10 EFCDHN CCOc1cccc(CN2CCC(Oc3nccc(C)n3)CC2)c1O ZINC001203617588 1312972271 /nfs/dbraw/zinc/97/22/71/1312972271.db2.gz QXADFFMVMOTXHN-UHFFFAOYSA-N 0 3 343.427 2.933 20 10 EFCDHN CCOc1cccc(CN2CCC[C@@H](Oc3nccnc3C)C2)c1O ZINC001203617385 1312972649 /nfs/dbraw/zinc/97/26/49/1312972649.db2.gz PGFJPRYRZHKEPZ-MRXNPFEDSA-N 0 3 343.427 2.933 20 10 EFCDHN CCOc1cccc(CN2CCC(Oc3ncc(F)cn3)CC2)c1O ZINC001203617131 1312972666 /nfs/dbraw/zinc/97/26/66/1312972666.db2.gz IWGYUGOVBHFUKJ-UHFFFAOYSA-N 0 3 347.390 2.763 20 10 EFCDHN COc1ccc(CN2CC[C@H](F)[C@](O)(C(F)(F)F)CC2)c(O)c1 ZINC001203620361 1312973261 /nfs/dbraw/zinc/97/32/61/1312973261.db2.gz BBMYQAYFJSNURB-KBPBESRZSA-N 0 3 337.313 2.628 20 10 EFCDHN COc1ccc(C[N@@H+]2CC[C@H](F)[C@](O)(C(F)(F)F)CC2)c([O-])c1 ZINC001203620361 1312973263 /nfs/dbraw/zinc/97/32/63/1312973263.db2.gz BBMYQAYFJSNURB-KBPBESRZSA-N 0 3 337.313 2.628 20 10 EFCDHN COc1ccc(C[N@H+]2CC[C@H](F)[C@](O)(C(F)(F)F)CC2)c([O-])c1 ZINC001203620361 1312973267 /nfs/dbraw/zinc/97/32/67/1312973267.db2.gz BBMYQAYFJSNURB-KBPBESRZSA-N 0 3 337.313 2.628 20 10 EFCDHN COc1ccc(CN2CC(CN(C)C(=O)OC(C)(C)C)C2)c(O)c1 ZINC001203620993 1312973339 /nfs/dbraw/zinc/97/33/39/1312973339.db2.gz MNHRTCDTXRISSC-UHFFFAOYSA-N 0 3 336.432 2.700 20 10 EFCDHN COc1ccc(CN2CC3CC2(CNC(=O)OC(C)(C)C)C3)c(O)c1 ZINC001203621728 1312973432 /nfs/dbraw/zinc/97/34/32/1312973432.db2.gz HUFZFIJEPPACNE-UHFFFAOYSA-N 0 3 348.443 2.890 20 10 EFCDHN COc1ccc(C[NH+]2CCC3(C[C@H]3C(=O)NC3CCC3)CC2)c([O-])c1 ZINC001203622698 1312973913 /nfs/dbraw/zinc/97/39/13/1312973913.db2.gz ANLWDHYIDPGBBI-KRWDZBQOSA-N 0 3 344.455 2.672 20 10 EFCDHN COc1ccc(C[N@@H+]2CCCN(c3ncccc3C)CC2)c([O-])c1 ZINC001203628547 1312975562 /nfs/dbraw/zinc/97/55/62/1312975562.db2.gz BCWVSVGSUZEVPI-UHFFFAOYSA-N 0 3 327.428 2.817 20 10 EFCDHN COc1ccc(C[N@H+]2CCCN(c3ncccc3C)CC2)c([O-])c1 ZINC001203628547 1312975565 /nfs/dbraw/zinc/97/55/65/1312975565.db2.gz BCWVSVGSUZEVPI-UHFFFAOYSA-N 0 3 327.428 2.817 20 10 EFCDHN COc1ccc(CN2CC3(CC(NC(=O)OC(C)(C)C)C3)C2)c(O)c1 ZINC001203628029 1312975729 /nfs/dbraw/zinc/97/57/29/1312975729.db2.gz WFQMQBHWIXWWIJ-UHFFFAOYSA-N 0 3 348.443 2.890 20 10 EFCDHN COc1ccc(C[N@@H+]2CCC[C@@H](Oc3ncncc3C)C2)c([O-])c1 ZINC001203635441 1312977251 /nfs/dbraw/zinc/97/72/51/1312977251.db2.gz VBQAGFFEIFKBAO-MRXNPFEDSA-N 0 3 329.400 2.543 20 10 EFCDHN COc1ccc(C[N@H+]2CCC[C@@H](Oc3ncncc3C)C2)c([O-])c1 ZINC001203635441 1312977253 /nfs/dbraw/zinc/97/72/53/1312977253.db2.gz VBQAGFFEIFKBAO-MRXNPFEDSA-N 0 3 329.400 2.543 20 10 EFCDHN CC[NH+](CC)CCCN1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC001203663709 1312984106 /nfs/dbraw/zinc/98/41/06/1312984106.db2.gz DVOBCMPONUSGCV-UHFFFAOYSA-N 0 3 339.911 2.895 20 10 EFCDHN COc1ccc(O)c(CN2CC[C@@H](F)[C@](O)(C(F)(F)F)CC2)c1 ZINC001203670290 1312985309 /nfs/dbraw/zinc/98/53/09/1312985309.db2.gz MKZWYKBHISVBTQ-KGLIPLIRSA-N 0 3 337.313 2.628 20 10 EFCDHN COc1ccc(O)c(CN2C[C@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]32)c1 ZINC001203671070 1312985679 /nfs/dbraw/zinc/98/56/79/1312985679.db2.gz IPTAEAPAQHYYFI-ZBFHGGJFSA-N 0 3 348.443 2.842 20 10 EFCDHN O=C1OCCC12CC[NH+](Cc1cccc(OC(F)(F)F)c1[O-])CC2 ZINC001233768580 1312987476 /nfs/dbraw/zinc/98/74/76/1312987476.db2.gz VGLOPQFZPDINLT-UHFFFAOYSA-N 0 3 345.317 2.820 20 10 EFCDHN COc1ccc(O)c(CN2CCC[C@@H](Oc3ncc(C)cn3)C2)c1 ZINC001203684159 1312989352 /nfs/dbraw/zinc/98/93/52/1312989352.db2.gz NSMFAGTZQXFKTN-MRXNPFEDSA-N 0 3 329.400 2.543 20 10 EFCDHN COc1ccc(O)c(CN2C[C@@H](NC(=O)OC(C)(C)C)C[C@H]2C)c1 ZINC001203683986 1312989714 /nfs/dbraw/zinc/98/97/14/1312989714.db2.gz HTXDHUVJSOXQCL-OCCSQVGLSA-N 0 3 336.432 2.888 20 10 EFCDHN COC(=O)[C@]1(C)CC[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])C1 ZINC001233775917 1312990025 /nfs/dbraw/zinc/99/00/25/1312990025.db2.gz GIKLZJANZNUXAO-CQSZACIVSA-N 0 3 333.306 2.676 20 10 EFCDHN COC(=O)[C@]1(C)CC[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])C1 ZINC001233775917 1312990027 /nfs/dbraw/zinc/99/00/27/1312990027.db2.gz GIKLZJANZNUXAO-CQSZACIVSA-N 0 3 333.306 2.676 20 10 EFCDHN COCC(COC)[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-] ZINC000834893243 1293859917 /nfs/dbraw/zinc/85/99/17/1293859917.db2.gz URRNLMUTSONERV-JTQLQIEISA-N 0 3 332.238 2.775 20 10 EFCDHN O=C1C[C@@]2(CCN(Cc3ccc(O)c(O)c3)C2)CN1c1ccsc1 ZINC001203877484 1313039224 /nfs/dbraw/zinc/03/92/24/1313039224.db2.gz SEMKBDDNFOINJW-GOSISDBHSA-N 0 3 344.436 2.788 20 10 EFCDHN O=C1C[C@]2(CCN(Cc3ccc(O)c(O)c3)C2)CN1c1ccsc1 ZINC001203877486 1313039502 /nfs/dbraw/zinc/03/95/02/1313039502.db2.gz SEMKBDDNFOINJW-SFHVURJKSA-N 0 3 344.436 2.788 20 10 EFCDHN COc1ccc(O[C@@H]2CCN(Cc3ccc(N(C)C)cc3)C2)nc1 ZINC001203936760 1313051217 /nfs/dbraw/zinc/05/12/17/1313051217.db2.gz MSNVSOPGEZFNGD-GOSISDBHSA-N 0 3 327.428 2.810 20 10 EFCDHN CN(C)c1ccc(CN2CCC3(CC2)OC(=O)c2ncccc23)cc1 ZINC001203936642 1313051522 /nfs/dbraw/zinc/05/15/22/1313051522.db2.gz GOAFWFSCYFUBIP-UHFFFAOYSA-N 0 3 337.423 2.809 20 10 EFCDHN Cc1cc(OC2CCN(Cc3ccc(N(C)C)cc3)CC2)ncn1 ZINC001203937590 1313051757 /nfs/dbraw/zinc/05/17/57/1313051757.db2.gz YTNKWLWCBSEVRY-UHFFFAOYSA-N 0 3 326.444 2.894 20 10 EFCDHN CCNC(=O)CO[C@@H]1CCCN(Cc2ccc(N(CC)CC)cc2)C1 ZINC001203942890 1313052388 /nfs/dbraw/zinc/05/23/88/1313052388.db2.gz XHKQDHMKWXQPQJ-LJQANCHMSA-N 0 3 347.503 2.650 20 10 EFCDHN CCN(CC)c1ccc(CN2CC[C@@H](Oc3cnccn3)C2)cc1 ZINC001203946810 1313053052 /nfs/dbraw/zinc/05/30/52/1313053052.db2.gz XLMXJJSFISSNMB-GOSISDBHSA-N 0 3 326.444 2.976 20 10 EFCDHN CCN(C)C(=O)CNCc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796350279 1294534972 /nfs/dbraw/zinc/53/49/72/1294534972.db2.gz ACDQVYIJBGVXIY-UHFFFAOYSA-N 0 3 337.467 2.817 20 10 EFCDHN COC(=O)[C@H]1CN(Cc2ccc(N(C)C)c3ccccc23)CCCO1 ZINC001204240182 1313106926 /nfs/dbraw/zinc/10/69/26/1313106926.db2.gz KLLGULHWLCWQAS-LJQANCHMSA-N 0 3 342.439 2.670 20 10 EFCDHN C[C@@H]1CN(Cc2ccc(F)cc2)CCN1Cc1ccc(O)cc1O ZINC001204272310 1313112722 /nfs/dbraw/zinc/11/27/22/1313112722.db2.gz NFOJJXHRXGJXOB-CQSZACIVSA-N 0 3 330.403 2.943 20 10 EFCDHN [O-]c1cc(O)ccc1C[N@@H+]1CC[C@H]2[C@H](CCN2Cc2nccs2)C1 ZINC001204274566 1313113358 /nfs/dbraw/zinc/11/33/58/1313113358.db2.gz PBNTUHZFEWENEF-CJNGLKHVSA-N 0 3 345.468 2.651 20 10 EFCDHN [O-]c1cc(O)ccc1C[N@H+]1CC[C@H]2[C@H](CCN2Cc2nccs2)C1 ZINC001204274566 1313113362 /nfs/dbraw/zinc/11/33/62/1313113362.db2.gz PBNTUHZFEWENEF-CJNGLKHVSA-N 0 3 345.468 2.651 20 10 EFCDHN NC(=O)[C@H](c1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1ccc(O)cc1[O-] ZINC001204279410 1313114870 /nfs/dbraw/zinc/11/48/70/1313114870.db2.gz YCICRESBBNGRNO-PKOBYXMFSA-N 0 3 340.423 2.721 20 10 EFCDHN NC(=O)[C@H](c1ccccc1)[C@@H]1CCCC[N@H+]1Cc1ccc(O)cc1[O-] ZINC001204279410 1313114873 /nfs/dbraw/zinc/11/48/73/1313114873.db2.gz YCICRESBBNGRNO-PKOBYXMFSA-N 0 3 340.423 2.721 20 10 EFCDHN COc1ccc(O[C@H]2CCC[N@H+](Cc3ccc(O)cc3[O-])C2)nc1 ZINC001204277936 1313115032 /nfs/dbraw/zinc/11/50/32/1313115032.db2.gz PVGPMBYDPDZXBQ-INIZCTEOSA-N 0 3 330.384 2.545 20 10 EFCDHN COc1ccc(O[C@H]2CCC[N@@H+](Cc3ccc(O)cc3[O-])C2)nc1 ZINC001204277936 1313115035 /nfs/dbraw/zinc/11/50/35/1313115035.db2.gz PVGPMBYDPDZXBQ-INIZCTEOSA-N 0 3 330.384 2.545 20 10 EFCDHN CC(C)(C)OC(=O)N1CC[C@]2(CC[N@H+](Cc3ccc(O)cc3[O-])C2)C1 ZINC001204277207 1313115072 /nfs/dbraw/zinc/11/50/72/1313115072.db2.gz WHYZATUIOHREJI-IBGZPJMESA-N 0 3 348.443 2.931 20 10 EFCDHN CC(C)(C)OC(=O)N1CC[C@]2(CC[N@@H+](Cc3ccc(O)cc3[O-])C2)C1 ZINC001204277207 1313115074 /nfs/dbraw/zinc/11/50/74/1313115074.db2.gz WHYZATUIOHREJI-IBGZPJMESA-N 0 3 348.443 2.931 20 10 EFCDHN COc1ccccc1CNC(=O)CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775833722 1294963686 /nfs/dbraw/zinc/96/36/86/1294963686.db2.gz KYPJTWALPBCFFS-HNNXBMFYSA-N 0 3 341.455 2.728 20 10 EFCDHN CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(O)cc3[O-])C[C@H]12 ZINC001204282716 1313116035 /nfs/dbraw/zinc/11/60/35/1313116035.db2.gz TZFDVEKIJOOPCH-UHOFOFEASA-N 0 3 348.443 2.833 20 10 EFCDHN CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(O)cc3[O-])C[C@H]12 ZINC001204282716 1313116038 /nfs/dbraw/zinc/11/60/38/1313116038.db2.gz TZFDVEKIJOOPCH-UHOFOFEASA-N 0 3 348.443 2.833 20 10 EFCDHN c1cnc(N2CCCN(Cc3ccc(N4CCCC4)cc3)CC2)nc1 ZINC001204322338 1313122624 /nfs/dbraw/zinc/12/26/24/1313122624.db2.gz QQJQOFBJRKOLJU-UHFFFAOYSA-N 0 3 337.471 2.789 20 10 EFCDHN O=C1CCCN1C1CCN(Cc2ccc(N3CCCC3)cc2)CC1 ZINC001204328623 1313123252 /nfs/dbraw/zinc/12/32/52/1313123252.db2.gz KWEXYAGZNDXTIE-UHFFFAOYSA-N 0 3 327.472 2.874 20 10 EFCDHN COc1cc(Br)cc(CN2CCN(C)C(C)(C)C2)c1O ZINC001204339975 1313125783 /nfs/dbraw/zinc/12/57/83/1313125783.db2.gz ZUCNFPFZSGFSHC-UHFFFAOYSA-N 0 3 343.265 2.689 20 10 EFCDHN COc1cc(CN(C)CCN(C)Cc2ccccc2)cc(O)c1O ZINC001204349146 1313127234 /nfs/dbraw/zinc/12/72/34/1313127234.db2.gz QKCABWUECDCGHU-UHFFFAOYSA-N 0 3 330.428 2.670 20 10 EFCDHN CCOC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3c([O-])ccc4ccc(OC)cc43)C[C@@H]21 ZINC001234561919 1313157842 /nfs/dbraw/zinc/15/78/42/1313157842.db2.gz GHFRKXJHUVSOAE-DZFIZOCASA-N 0 3 341.407 2.795 20 10 EFCDHN CCOC(=O)[C@H]1[C@@H]2C[N@H+](Cc3c([O-])ccc4ccc(OC)cc43)C[C@@H]21 ZINC001234561919 1313157843 /nfs/dbraw/zinc/15/78/43/1313157843.db2.gz GHFRKXJHUVSOAE-DZFIZOCASA-N 0 3 341.407 2.795 20 10 EFCDHN COc1ccc2ccc([O-])c(C[N@H+](C)C3CCS(=O)(=O)CC3)c2c1 ZINC001234562180 1313158584 /nfs/dbraw/zinc/15/85/84/1313158584.db2.gz JKQQOXGRRNXGDV-UHFFFAOYSA-N 0 3 349.452 2.563 20 10 EFCDHN COc1ccc2ccc([O-])c(C[N@@H+](C)C3CCS(=O)(=O)CC3)c2c1 ZINC001234562180 1313158586 /nfs/dbraw/zinc/15/85/86/1313158586.db2.gz JKQQOXGRRNXGDV-UHFFFAOYSA-N 0 3 349.452 2.563 20 10 EFCDHN COc1ccc2ccc([O-])c(C[N@H+](C)[C@H]3CCCN(C(C)=O)C3)c2c1 ZINC001234570112 1313160264 /nfs/dbraw/zinc/16/02/64/1313160264.db2.gz XOLZGLRZHAGOHO-INIZCTEOSA-N 0 3 342.439 2.997 20 10 EFCDHN COc1ccc2ccc([O-])c(C[N@@H+](C)[C@H]3CCCN(C(C)=O)C3)c2c1 ZINC001234570112 1313160267 /nfs/dbraw/zinc/16/02/67/1313160267.db2.gz XOLZGLRZHAGOHO-INIZCTEOSA-N 0 3 342.439 2.997 20 10 EFCDHN Cc1cc(Br)cc(CN2CCN(C)[C@@H](C)[C@H]2C)c1O ZINC000775986613 1295562503 /nfs/dbraw/zinc/56/25/03/1295562503.db2.gz RGCABUBLSWIAFF-NWDGAFQWSA-N 0 3 327.266 2.988 20 10 EFCDHN Cc1cc(Br)cc(CN2CCN(C)[C@H](C)[C@@H]2C)c1O ZINC000775986612 1295562351 /nfs/dbraw/zinc/56/23/51/1295562351.db2.gz RGCABUBLSWIAFF-NEPJUHHUSA-N 0 3 327.266 2.988 20 10 EFCDHN COc1cc(Br)cc(CN2C[C@H](C)N(C)C[C@H]2C)c1O ZINC000775984901 1295562577 /nfs/dbraw/zinc/56/25/77/1295562577.db2.gz HSMNOIJVXHEHBM-WDEREUQCSA-N 0 3 343.265 2.688 20 10 EFCDHN COc1cc(Br)cc(CN2CCN(C)[C@@H](C)[C@@H]2C)c1O ZINC000775987828 1295589610 /nfs/dbraw/zinc/58/96/10/1295589610.db2.gz WKWMKZRNTSUNMA-QWRGUYRKSA-N 0 3 343.265 2.688 20 10 EFCDHN CCN1CCN(c2ccc(O[C@H]3C[C@@](C)(C(=O)OC)C3)cc2)CC1 ZINC001234659976 1313179380 /nfs/dbraw/zinc/17/93/80/1313179380.db2.gz AWNSGYJEPOITCX-IZAXUBKRSA-N 0 3 332.444 2.549 20 10 EFCDHN CCOC(=O)[C@@H]1CCC[C@H]1Oc1ccc(N2CCN(CC)CC2)cc1 ZINC001234658017 1313179396 /nfs/dbraw/zinc/17/93/96/1313179396.db2.gz QWCYYBBDVRZNJV-RTBURBONSA-N 0 3 346.471 2.939 20 10 EFCDHN CCN1CCN(c2ccc(OC[C@H](C)OC[C@H](C)OC)cc2)CC1 ZINC001234661924 1313180100 /nfs/dbraw/zinc/18/01/00/1313180100.db2.gz XKKILFXHJIBXLJ-IRXDYDNUSA-N 0 3 336.476 2.647 20 10 EFCDHN [O-]c1c(C[NH+]2CCN([C@H]3CCOC3)CC2)cccc1-c1ccccc1 ZINC001234990315 1313218197 /nfs/dbraw/zinc/21/81/97/1313218197.db2.gz GDJCQIIUCBJGRC-IBGZPJMESA-N 0 3 338.451 2.966 20 10 EFCDHN CN1C(=O)C[C@]2(CCC[N@H+](Cc3cc4ccccc4cc3[O-])C2)C1=O ZINC001274666133 1296134786 /nfs/dbraw/zinc/13/47/86/1296134786.db2.gz XLZHXXNUHTYMAY-FQEVSTJZSA-N 0 3 338.407 2.516 20 10 EFCDHN CN1C(=O)C[C@]2(CCC[N@@H+](Cc3cc4ccccc4cc3[O-])C2)C1=O ZINC001274666133 1296134793 /nfs/dbraw/zinc/13/47/93/1296134793.db2.gz XLZHXXNUHTYMAY-FQEVSTJZSA-N 0 3 338.407 2.516 20 10 EFCDHN CCOc1ccc(N2CCCC[C@]23CC(=O)N(CCN(C)C)C3)cc1 ZINC001274799646 1296173945 /nfs/dbraw/zinc/17/39/45/1296173945.db2.gz SSPBCQILIQKBDJ-HXUWFJFHSA-N 0 3 345.487 2.608 20 10 EFCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCC[C@]34CCN(C)C4=O)c2c1 ZINC001273904151 1297053799 /nfs/dbraw/zinc/05/37/99/1297053799.db2.gz BGBRGUNQIWQECX-HXUWFJFHSA-N 0 3 340.423 2.751 20 10 EFCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCC[C@]34CCN(C)C4=O)c2c1 ZINC001273904151 1297053811 /nfs/dbraw/zinc/05/38/11/1297053811.db2.gz BGBRGUNQIWQECX-HXUWFJFHSA-N 0 3 340.423 2.751 20 10 EFCDHN Cc1cc([O-])c(CN2CCC(F)(F)[C@H](C[NH3+])C2)cc1Br ZINC001205797076 1313357745 /nfs/dbraw/zinc/35/77/45/1313357745.db2.gz YQZYZISWWFSSPB-LLVKDONJSA-N 0 3 349.219 2.879 20 10 EFCDHN CN(C)C(=O)[C@H]1C[C@@H]2[C@@H](CC[N@@H+]2Cc2ccc(C(C)(C)C)cc2[O-])O1 ZINC001235682235 1313373292 /nfs/dbraw/zinc/37/32/92/1313373292.db2.gz PTTWFCOFRZWFOL-KBAYOESNSA-N 0 3 346.471 2.510 20 10 EFCDHN CN(C)C(=O)[C@H]1C[C@@H]2[C@@H](CC[N@H+]2Cc2ccc(C(C)(C)C)cc2[O-])O1 ZINC001235682235 1313373295 /nfs/dbraw/zinc/37/32/95/1313373295.db2.gz PTTWFCOFRZWFOL-KBAYOESNSA-N 0 3 346.471 2.510 20 10 EFCDHN CC(C)(C)c1ccc(CN2CCN(C[C@@H]3CCCO3)CC2)c(O)c1 ZINC001235686045 1313375442 /nfs/dbraw/zinc/37/54/42/1313375442.db2.gz WSYPIJIYNBOKRM-SFHVURJKSA-N 0 3 332.488 2.986 20 10 EFCDHN COCCCN(Cc1cc(Cl)c(C)cc1[O-])[C@H]1CCC[NH2+]C1 ZINC001235808297 1313402277 /nfs/dbraw/zinc/40/22/77/1313402277.db2.gz ZWFJNCGNOXOUBJ-HNNXBMFYSA-N 0 3 326.868 2.945 20 10 EFCDHN Cc1cc([O-])c(CN2C[C@H]3CC[C@@H](C2)[NH2+]C3)cc1Br ZINC001236060781 1313436089 /nfs/dbraw/zinc/43/60/89/1313436089.db2.gz TUIBMVZWVPSBSQ-AAEUAGOBSA-N 0 3 325.250 2.647 20 10 EFCDHN [O-]c1cccc(Br)c1CN1CCC[C@H]([NH2+]C2CC2)C1 ZINC001236217853 1313457432 /nfs/dbraw/zinc/45/74/32/1313457432.db2.gz HNGKHMACYLOGJU-LBPRGKRZSA-N 0 3 325.250 2.871 20 10 EFCDHN COc1cc(CN2CCN(C(C)C)CC2)c(O)cc1Br ZINC001236745053 1313520729 /nfs/dbraw/zinc/52/07/29/1313520729.db2.gz LRXIHSQGZVKQHY-UHFFFAOYSA-N 0 3 343.265 2.689 20 10 EFCDHN COc1cc(CN2CCC[C@@](C)(O)CC2)c(O)cc1Br ZINC001236745882 1313521142 /nfs/dbraw/zinc/52/11/42/1313521142.db2.gz TUAMNWZENWCZMJ-OAHLLOKOSA-N 0 3 344.249 2.900 20 10 EFCDHN COc1cc(C[N@@H+]2CCC[C@@H](O)[C@H](C)C2)c([O-])cc1Br ZINC001236744708 1313521333 /nfs/dbraw/zinc/52/13/33/1313521333.db2.gz BVXCVOZGGQVSLO-ZWNOBZJWSA-N 0 3 344.249 2.756 20 10 EFCDHN COc1cc(C[N@H+]2CCC[C@@H](O)[C@H](C)C2)c([O-])cc1Br ZINC001236744708 1313521335 /nfs/dbraw/zinc/52/13/35/1313521335.db2.gz BVXCVOZGGQVSLO-ZWNOBZJWSA-N 0 3 344.249 2.756 20 10 EFCDHN COc1cc(CN2CCC[C@@H](O)[C@H](C)C2)c(O)cc1Br ZINC001236744708 1313521337 /nfs/dbraw/zinc/52/13/37/1313521337.db2.gz BVXCVOZGGQVSLO-ZWNOBZJWSA-N 0 3 344.249 2.756 20 10 EFCDHN COc1cc(O)c(CN2CCC(Oc3ccncc3)CC2)cc1OC ZINC001236749796 1313521870 /nfs/dbraw/zinc/52/18/70/1313521870.db2.gz MMRGEJZESCYEHJ-UHFFFAOYSA-N 0 3 344.411 2.848 20 10 EFCDHN COc1cc(O)c(CN2CCC[C@@H](Oc3cccnc3)C2)cc1OC ZINC001236756146 1313522787 /nfs/dbraw/zinc/52/27/87/1313522787.db2.gz JQUUVIRIRKURAU-MRXNPFEDSA-N 0 3 344.411 2.848 20 10 EFCDHN CCc1ccc(CN2CCN(c3cc(C)nc(C)n3)CC2)c(O)c1 ZINC001236786221 1313528268 /nfs/dbraw/zinc/52/82/68/1313528268.db2.gz DODHOQAOZUXWHH-UHFFFAOYSA-N 0 3 326.444 2.684 20 10 EFCDHN CCc1ccc(C[NH+]2C[C@H]3CN(Cc4ccccn4)C[C@@H]3C2)c([O-])c1 ZINC001236786462 1313528424 /nfs/dbraw/zinc/52/84/24/1313528424.db2.gz DPHWRAAXBVLHGY-OALUTQOASA-N 0 3 337.467 2.913 20 10 EFCDHN COC[C@@]12CCCO[C@H]1CC[N@H+](Cc1c(C)cc(OC)cc1[O-])C2 ZINC001236808816 1313533646 /nfs/dbraw/zinc/53/36/46/1313533646.db2.gz CFSOWZIWHORZFC-OALUTQOASA-N 0 3 335.444 2.727 20 10 EFCDHN COC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1c(C)cc(OC)cc1[O-])C2 ZINC001236808816 1313533648 /nfs/dbraw/zinc/53/36/48/1313533648.db2.gz CFSOWZIWHORZFC-OALUTQOASA-N 0 3 335.444 2.727 20 10 EFCDHN CCOC[C@H]1Cn2nccc2CN(Cc2c(C)cc(OC)cc2O)C1 ZINC001236809207 1313533929 /nfs/dbraw/zinc/53/39/29/1313533929.db2.gz FNHBPNDZVQAWKT-OAHLLOKOSA-N 0 3 345.443 2.574 20 10 EFCDHN COc1cc(C)c(CN2CC(CNC(=O)OC(C)(C)C)C2)c(O)c1 ZINC001236809545 1313534015 /nfs/dbraw/zinc/53/40/15/1313534015.db2.gz XSAWCLMIYLCKTB-UHFFFAOYSA-N 0 3 336.432 2.666 20 10 EFCDHN COc1cc(C)c(C[N@@H+]2CC[C@]3(C2)C(=O)Nc2ccccc23)c([O-])c1 ZINC001236811811 1313534948 /nfs/dbraw/zinc/53/49/48/1313534948.db2.gz UYJKCAJFWNZGOS-HXUWFJFHSA-N 0 3 338.407 2.805 20 10 EFCDHN COc1cc(C)c(C[N@H+]2CC[C@]3(C2)C(=O)Nc2ccccc23)c([O-])c1 ZINC001236811811 1313534950 /nfs/dbraw/zinc/53/49/50/1313534950.db2.gz UYJKCAJFWNZGOS-HXUWFJFHSA-N 0 3 338.407 2.805 20 10 EFCDHN COc1cc(C)c(C[N@@H+]2CCC[C@@H](C(=O)N3CCCCC3)C2)c([O-])c1 ZINC001236813385 1313535128 /nfs/dbraw/zinc/53/51/28/1313535128.db2.gz JRBCMTUSTXOQHL-MRXNPFEDSA-N 0 3 346.471 2.934 20 10 EFCDHN COc1cc(C)c(C[N@H+]2CCC[C@@H](C(=O)N3CCCCC3)C2)c([O-])c1 ZINC001236813385 1313535131 /nfs/dbraw/zinc/53/51/31/1313535131.db2.gz JRBCMTUSTXOQHL-MRXNPFEDSA-N 0 3 346.471 2.934 20 10 EFCDHN COc1cc(C)c(CN2CCCC[C@@H]2C(=O)N2CCCC2)c(O)c1 ZINC001236813929 1313535156 /nfs/dbraw/zinc/53/51/56/1313535156.db2.gz MVZAZKDQFYEVBT-QGZVFWFLSA-N 0 3 332.444 2.686 20 10 EFCDHN COc1cc(C)c(C[N@@H+]2CC[C@@H](Oc3ccnc(OC)c3)C2)c([O-])c1 ZINC001236816769 1313535526 /nfs/dbraw/zinc/53/55/26/1313535526.db2.gz WNKONUFBKUYHLT-OAHLLOKOSA-N 0 3 344.411 2.766 20 10 EFCDHN COc1cc(C)c(C[N@H+]2CC[C@@H](Oc3ccnc(OC)c3)C2)c([O-])c1 ZINC001236816769 1313535528 /nfs/dbraw/zinc/53/55/28/1313535528.db2.gz WNKONUFBKUYHLT-OAHLLOKOSA-N 0 3 344.411 2.766 20 10 EFCDHN COc1cc(C)c(C[NH+]2CCC(NC(=O)C3CCC3)CC2)c([O-])c1 ZINC001236814988 1313535939 /nfs/dbraw/zinc/53/59/39/1313535939.db2.gz YXTGJLZZFNNKOH-UHFFFAOYSA-N 0 3 332.444 2.590 20 10 EFCDHN COc1ccc(O[C@H]2CC[N@H+](Cc3c(C)cc(OC)cc3[O-])C2)nc1 ZINC001236815955 1313535997 /nfs/dbraw/zinc/53/59/97/1313535997.db2.gz PMGATTVNLQGEKK-HNNXBMFYSA-N 0 3 344.411 2.766 20 10 EFCDHN COc1ccc(O[C@H]2CC[N@@H+](Cc3c(C)cc(OC)cc3[O-])C2)nc1 ZINC001236815955 1313536000 /nfs/dbraw/zinc/53/60/00/1313536000.db2.gz PMGATTVNLQGEKK-HNNXBMFYSA-N 0 3 344.411 2.766 20 10 EFCDHN O=C1CC2(CC[NH+](Cc3cc4ccccc4cc3[O-])CC2)CC(=O)N1 ZINC001236834266 1313538238 /nfs/dbraw/zinc/53/82/38/1313538238.db2.gz VFYBXLQBCDPLBA-UHFFFAOYSA-N 0 3 338.407 2.564 20 10 EFCDHN CCOC(=O)C1=C(O)CC[N@H+](Cc2cc3ccccc3cc2[O-])CC1 ZINC001236842515 1313541360 /nfs/dbraw/zinc/54/13/60/1313541360.db2.gz WQEHDBBHEUKSOO-KRWDZBQOSA-N 0 3 341.407 2.890 20 10 EFCDHN CCOC(=O)C1=C(O)CC[N@@H+](Cc2cc3ccccc3cc2[O-])CC1 ZINC001236842515 1313541362 /nfs/dbraw/zinc/54/13/62/1313541362.db2.gz WQEHDBBHEUKSOO-KRWDZBQOSA-N 0 3 341.407 2.890 20 10 EFCDHN CN1CCN(Cc2ccc(N3CCOCC3)cc2Cl)CC1(C)C ZINC001236919337 1313553138 /nfs/dbraw/zinc/55/31/38/1313553138.db2.gz NCSYAXVSCBNXIY-UHFFFAOYSA-N 0 3 337.895 2.703 20 10 EFCDHN C[C@@H]1CCN(Cc2ccc(N3CCOCC3)cc2Cl)C[C@@]1(C)O ZINC001236921408 1313553595 /nfs/dbraw/zinc/55/35/95/1313553595.db2.gz GAWXFGRMFXCDBO-RDTXWAMCSA-N 0 3 338.879 2.769 20 10 EFCDHN C[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2Cl)CC[C@]1(C)O ZINC001236924042 1313554123 /nfs/dbraw/zinc/55/41/23/1313554123.db2.gz JROAHGGZUDVPQP-KDOFPFPSSA-N 0 3 338.879 2.769 20 10 EFCDHN Clc1cc(N2CCOCC2)ccc1CN1CC[C@@H]2COC[C@@H]2C1 ZINC001236925941 1313554515 /nfs/dbraw/zinc/55/45/15/1313554515.db2.gz ZAOMXIFEIKQRPZ-CVEARBPZSA-N 0 3 336.863 2.645 20 10 EFCDHN C[C@H]1CCCN(Cc2ccc(N3CCOCC3)cc2Cl)[C@@H]1CO ZINC001236925962 1313554815 /nfs/dbraw/zinc/55/48/15/1313554815.db2.gz ZRDIMMCAWFEHFO-KBXCAEBGSA-N 0 3 338.879 2.769 20 10 EFCDHN Clc1cc(N2CCOCC2)ccc1CN1CCN(CC2CC2)CC1 ZINC001236927710 1313554994 /nfs/dbraw/zinc/55/49/94/1313554994.db2.gz SWDOBICWETXHIS-UHFFFAOYSA-N 0 3 349.906 2.704 20 10 EFCDHN CN1CCN(c2ccc(CN3CC[C@H]4CCCO[C@H]4C3)c(F)c2)CC1 ZINC001236935217 1313557485 /nfs/dbraw/zinc/55/74/85/1313557485.db2.gz GMOAOLGFVSNSRE-UZLBHIALSA-N 0 3 347.478 2.578 20 10 EFCDHN CCN(CC)c1ccc(CN2CCNC[C@H]2C(F)(F)F)c(O)c1 ZINC001236975434 1313564380 /nfs/dbraw/zinc/56/43/80/1313564380.db2.gz IEUQFTPJTYAVJF-HNNXBMFYSA-N 0 3 331.382 2.575 20 10 EFCDHN CCOc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCN3C(=O)C(C)C)C2)c([O-])c1 ZINC001237040313 1313573128 /nfs/dbraw/zinc/57/31/28/1313573128.db2.gz GQNXALMDDDFEGF-MAUKXSAKSA-N 0 3 346.471 2.870 20 10 EFCDHN CCOc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCN3C(=O)C(C)C)C2)c([O-])c1 ZINC001237040313 1313573130 /nfs/dbraw/zinc/57/31/30/1313573130.db2.gz GQNXALMDDDFEGF-MAUKXSAKSA-N 0 3 346.471 2.870 20 10 EFCDHN CCOc1ccc(C[NH+]2CCC(Oc3ccncn3)CC2)c([O-])c1 ZINC001237048838 1313576233 /nfs/dbraw/zinc/57/62/33/1313576233.db2.gz XEVXCMMSBMVPQE-UHFFFAOYSA-N 0 3 329.400 2.624 20 10 EFCDHN CCOc1ccc(C[N@@H+]2CC[C@H](Oc3ncncc3C)C2)c([O-])c1 ZINC001237047345 1313574947 /nfs/dbraw/zinc/57/49/47/1313574947.db2.gz LJQPBWBSCSBDIW-INIZCTEOSA-N 0 3 329.400 2.543 20 10 EFCDHN CCOc1ccc(C[N@H+]2CC[C@H](Oc3ncncc3C)C2)c([O-])c1 ZINC001237047345 1313574951 /nfs/dbraw/zinc/57/49/51/1313574951.db2.gz LJQPBWBSCSBDIW-INIZCTEOSA-N 0 3 329.400 2.543 20 10 EFCDHN Cc1noc([C@]23COC[C@H]2C[N@@H+](Cc2ccc(C(C)C)cc2[O-])C3)n1 ZINC001237049048 1313575682 /nfs/dbraw/zinc/57/56/82/1313575682.db2.gz RJFDWHOSHWWCLY-VQIMIIECSA-N 0 3 343.427 2.607 20 10 EFCDHN Cc1noc([C@]23COC[C@H]2C[N@H+](Cc2ccc(C(C)C)cc2[O-])C3)n1 ZINC001237049048 1313575686 /nfs/dbraw/zinc/57/56/86/1313575686.db2.gz RJFDWHOSHWWCLY-VQIMIIECSA-N 0 3 343.427 2.607 20 10 EFCDHN CCNC(=O)CO[C@H]1CCC[N@H+](Cc2ccc(C(C)C)cc2[O-])C1 ZINC001237049421 1313575990 /nfs/dbraw/zinc/57/59/90/1313575990.db2.gz OSAVZJXZUDVEBX-KRWDZBQOSA-N 0 3 334.460 2.633 20 10 EFCDHN CCNC(=O)CO[C@H]1CCC[N@@H+](Cc2ccc(C(C)C)cc2[O-])C1 ZINC001237049421 1313575995 /nfs/dbraw/zinc/57/59/95/1313575995.db2.gz OSAVZJXZUDVEBX-KRWDZBQOSA-N 0 3 334.460 2.633 20 10 EFCDHN CSC[C@@](C)(O)C[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000305807263 1299031797 /nfs/dbraw/zinc/03/17/97/1299031797.db2.gz ZOJCCNCTZNAPEZ-ZDUSSCGKSA-N 0 3 334.279 2.667 20 10 EFCDHN CC(C)c1ccc(C[NH+]2CCC(OCC(=O)NC3CC3)CC2)c([O-])c1 ZINC001237050221 1313576403 /nfs/dbraw/zinc/57/64/03/1313576403.db2.gz ZLVNEWNXLOLSHA-UHFFFAOYSA-N 0 3 346.471 2.775 20 10 EFCDHN Cc1cc(N2CCN(Cc3ccc(C(C)C)cc3O)CC2)ncn1 ZINC001237051125 1313576558 /nfs/dbraw/zinc/57/65/58/1313576558.db2.gz HRSCPOHQDIAUQE-UHFFFAOYSA-N 0 3 326.444 2.936 20 10 EFCDHN COc1cnc(O[C@H]2CC[N@H+](Cc3ccc(C(C)C)cc3[O-])C2)nc1 ZINC001237050744 1313577279 /nfs/dbraw/zinc/57/72/79/1313577279.db2.gz FEERKPUOZLVQFH-INIZCTEOSA-N 0 3 343.427 2.968 20 10 EFCDHN COc1cnc(O[C@H]2CC[N@@H+](Cc3ccc(C(C)C)cc3[O-])C2)nc1 ZINC001237050744 1313577280 /nfs/dbraw/zinc/57/72/80/1313577280.db2.gz FEERKPUOZLVQFH-INIZCTEOSA-N 0 3 343.427 2.968 20 10 EFCDHN COc1cc([O-])c(CN2CCC[C@@H]([NH+](C)C)C2)c(Br)c1 ZINC001237059682 1313578413 /nfs/dbraw/zinc/57/84/13/1313578413.db2.gz NKTDZQGEZUDOPF-LLVKDONJSA-N 0 3 343.265 2.689 20 10 EFCDHN [O-]c1cccc(OC(F)(F)F)c1CN1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001237112066 1313587811 /nfs/dbraw/zinc/58/78/11/1313587811.db2.gz ZVENSIFODHRPIW-GFCCVEGCSA-N 0 3 330.350 2.961 20 10 EFCDHN [O-]c1cccc(OC(F)(F)F)c1CN1CCC[N@H+]2CCC[C@@H]2C1 ZINC001237112066 1313587814 /nfs/dbraw/zinc/58/78/14/1313587814.db2.gz ZVENSIFODHRPIW-GFCCVEGCSA-N 0 3 330.350 2.961 20 10 EFCDHN [O-]c1cccc(OC(F)(F)F)c1C[N@H+]1C[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C1 ZINC001237122680 1313590813 /nfs/dbraw/zinc/59/08/13/1313590813.db2.gz KJPBVVHXIXHINY-DHPDLVEQSA-N 0 3 329.318 2.900 20 10 EFCDHN [O-]c1cccc(OC(F)(F)F)c1C[N@@H+]1C[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C1 ZINC001237122680 1313590817 /nfs/dbraw/zinc/59/08/17/1313590817.db2.gz KJPBVVHXIXHINY-DHPDLVEQSA-N 0 3 329.318 2.900 20 10 EFCDHN Cc1cnc(O[C@@H]2CC[N@H+](Cc3c([O-])ccc(F)c3Cl)C2)nc1 ZINC001237126066 1313591218 /nfs/dbraw/zinc/59/12/18/1313591218.db2.gz FMDJONBEPLZOFQ-LLVKDONJSA-N 0 3 337.782 2.936 20 10 EFCDHN Cc1cnc(O[C@@H]2CC[N@@H+](Cc3c([O-])ccc(F)c3Cl)C2)nc1 ZINC001237126066 1313591222 /nfs/dbraw/zinc/59/12/22/1313591222.db2.gz FMDJONBEPLZOFQ-LLVKDONJSA-N 0 3 337.782 2.936 20 10 EFCDHN COC(=O)[C@@]1(C)CCN(Cc2c(O)cccc2OC(F)(F)F)C1 ZINC001237125856 1313591306 /nfs/dbraw/zinc/59/13/06/1313591306.db2.gz QNKNSUTYYQJFAR-AWEZNQCLSA-N 0 3 333.306 2.676 20 10 EFCDHN O=C1CC2(CN1)CC[NH+](Cc1cc(C(F)(F)F)ccc1[O-])CC2 ZINC001237138905 1313592237 /nfs/dbraw/zinc/59/22/37/1313592237.db2.gz ZSPRJLXJMMSDAE-UHFFFAOYSA-N 0 3 328.334 2.513 20 10 EFCDHN O=C1NCCC2(CCN(Cc3cc(C(F)(F)F)ccc3O)CC2)O1 ZINC001237142954 1313592492 /nfs/dbraw/zinc/59/24/92/1313592492.db2.gz IXGXNTYWSSNLKI-UHFFFAOYSA-N 0 3 344.333 2.876 20 10 EFCDHN OCCCCCN1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001237205518 1313605853 /nfs/dbraw/zinc/60/58/53/1313605853.db2.gz MXACMJLIBAYIKE-UHFFFAOYSA-N 0 3 332.366 2.870 20 10 EFCDHN O=S1(=O)CCN(c2ccc(CN3CCC4(CCCC4)C3)cc2)CC1 ZINC001237213766 1313607343 /nfs/dbraw/zinc/60/73/43/1313607343.db2.gz WLDJYSWBORBZAI-UHFFFAOYSA-N 0 3 348.512 2.688 20 10 EFCDHN CCCCCCN(C)CC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000109956112 1299353221 /nfs/dbraw/zinc/35/32/21/1299353221.db2.gz MDZNLYUOJBWTMI-UHFFFAOYSA-N 0 3 347.503 2.652 20 10 EFCDHN CC(C)CNC(=O)CCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000851840407 1299427875 /nfs/dbraw/zinc/42/78/75/1299427875.db2.gz FYACGRFFAXZJKX-GOSISDBHSA-N 0 3 348.487 2.926 20 10 EFCDHN CC(C)CNC(=O)CCC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000851840407 1299427877 /nfs/dbraw/zinc/42/78/77/1299427877.db2.gz FYACGRFFAXZJKX-GOSISDBHSA-N 0 3 348.487 2.926 20 10 EFCDHN COc1ccc(O)c([C@H](C)NCC(=O)Nc2ccc(Cl)nc2)c1 ZINC000851899754 1299455505 /nfs/dbraw/zinc/45/55/05/1299455505.db2.gz FKTLVKZNCZDXME-JTQLQIEISA-N 0 3 335.791 2.739 20 10 EFCDHN Cc1cccc([O-])c1C[NH+]1CCC2(C[C@@H]2C(=O)NC2CCC2)CC1 ZINC001237488563 1313654611 /nfs/dbraw/zinc/65/46/11/1313654611.db2.gz NTGMDNNDEIQEGY-QGZVFWFLSA-N 0 3 328.456 2.971 20 10 EFCDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@@]2(CCN(CC3CC3)C2=O)C1 ZINC001237488538 1313654716 /nfs/dbraw/zinc/65/47/16/1313654716.db2.gz NEFYPLRZGRNLNT-HXUWFJFHSA-N 0 3 328.456 2.925 20 10 EFCDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@@]2(CCN(CC3CC3)C2=O)C1 ZINC001237488538 1313654719 /nfs/dbraw/zinc/65/47/19/1313654719.db2.gz NEFYPLRZGRNLNT-HXUWFJFHSA-N 0 3 328.456 2.925 20 10 EFCDHN Cc1cccc(O)c1CN1CCn2c(CN(C)C(C)C)cnc2C1 ZINC001237489060 1313654845 /nfs/dbraw/zinc/65/48/45/1313654845.db2.gz UXCSICQELVLNRP-UHFFFAOYSA-N 0 3 328.460 2.753 20 10 EFCDHN Cc1ccc(N2CC[C@@H]3C[N@H+](Cc4c(C)cccc4[O-])C[C@@H]3C2)nn1 ZINC001237487343 1313654964 /nfs/dbraw/zinc/65/49/64/1313654964.db2.gz YIUTYBNDEWEUDR-IAGOWNOFSA-N 0 3 338.455 2.757 20 10 EFCDHN Cc1ccc(N2CC[C@@H]3C[N@@H+](Cc4c(C)cccc4[O-])C[C@@H]3C2)nn1 ZINC001237487343 1313654966 /nfs/dbraw/zinc/65/49/66/1313654966.db2.gz YIUTYBNDEWEUDR-IAGOWNOFSA-N 0 3 338.455 2.757 20 10 EFCDHN Cc1cccc([O-])c1C[N@@H+]1CCc2ccc(=O)n(CC3CC3)c2CC1 ZINC001237488439 1313655315 /nfs/dbraw/zinc/65/53/15/1313655315.db2.gz LQZZMSKDFNCKCM-UHFFFAOYSA-N 0 3 338.451 2.873 20 10 EFCDHN Cc1cccc([O-])c1C[N@H+]1CCc2ccc(=O)n(CC3CC3)c2CC1 ZINC001237488439 1313655316 /nfs/dbraw/zinc/65/53/16/1313655316.db2.gz LQZZMSKDFNCKCM-UHFFFAOYSA-N 0 3 338.451 2.873 20 10 EFCDHN COc1cc(CN2CC[C@@H](N3CCOC3=O)C2)c(O)c(C(C)(C)C)c1 ZINC000853540240 1300155888 /nfs/dbraw/zinc/15/58/88/1300155888.db2.gz GMVKBKRHRDQCJZ-CQSZACIVSA-N 0 3 348.443 2.725 20 10 EFCDHN O=C1NCC[C@]12CC[N@@H+](Cc1cc(-c3ccc(F)cc3)ccc1[O-])C2 ZINC001237641141 1313683078 /nfs/dbraw/zinc/68/30/78/1313683078.db2.gz MVCIEXMQFKJUDL-HXUWFJFHSA-N 0 3 340.398 2.910 20 10 EFCDHN O=C1NCC[C@]12CC[N@H+](Cc1cc(-c3ccc(F)cc3)ccc1[O-])C2 ZINC001237641141 1313683080 /nfs/dbraw/zinc/68/30/80/1313683080.db2.gz MVCIEXMQFKJUDL-HXUWFJFHSA-N 0 3 340.398 2.910 20 10 EFCDHN CN(C)C(=O)C1C[NH+](Cc2cc(-c3ccc(F)cc3)ccc2[O-])C1 ZINC001237645060 1313683149 /nfs/dbraw/zinc/68/31/49/1313683149.db2.gz HANPWPQUDLLHJJ-UHFFFAOYSA-N 0 3 328.387 2.718 20 10 EFCDHN CN1CC2(C1)CCC[N@H+](Cc1cccc(OC(F)(F)F)c1[O-])C2 ZINC001276530225 1313686581 /nfs/dbraw/zinc/68/65/81/1313686581.db2.gz PPWQKAFRSSGAAP-UHFFFAOYSA-N 0 3 330.350 2.818 20 10 EFCDHN CN1CC2(C1)CCC[N@@H+](Cc1cccc(OC(F)(F)F)c1[O-])C2 ZINC001276530225 1313686584 /nfs/dbraw/zinc/68/65/84/1313686584.db2.gz PPWQKAFRSSGAAP-UHFFFAOYSA-N 0 3 330.350 2.818 20 10 EFCDHN COc1cc(CN(C)CCCC(=O)c2cccnc2)c(O)c(OC)c1 ZINC001237679245 1313690008 /nfs/dbraw/zinc/69/00/08/1313690008.db2.gz UJJYJDUISAAODB-UHFFFAOYSA-N 0 3 344.411 2.899 20 10 EFCDHN COC(=O)c1cccc(CN(C)Cc2cc(OC)cc(OC)c2O)c1 ZINC001237682375 1313690925 /nfs/dbraw/zinc/69/09/25/1313690925.db2.gz YQGRHEOIKGVKBN-UHFFFAOYSA-N 0 3 345.395 2.828 20 10 EFCDHN Cc1cc(Cl)cc(C[NH+]2C[C@H]3CN(c4ncccn4)C[C@@H]3C2)c1[O-] ZINC001237687026 1313691591 /nfs/dbraw/zinc/69/15/91/1313691591.db2.gz VRJYOBMCXKNHKZ-GJZGRUSLSA-N 0 3 344.846 2.712 20 10 EFCDHN CCN1C[C@@H]2C[C@H]1CN2Cc1cc(Br)c(C)cc1O ZINC001237685297 1313691625 /nfs/dbraw/zinc/69/16/25/1313691625.db2.gz PFBZETPJQFFEJO-STQMWFEESA-N 0 3 325.250 2.742 20 10 EFCDHN COC(=O)[C@H]1C[N@H+](Cc2cc(Br)c(C)cc2[O-])C[C@@H]1C ZINC001237684132 1313692097 /nfs/dbraw/zinc/69/20/97/1313692097.db2.gz HBIUHCRWSQVALT-JQWIXIFHSA-N 0 3 342.233 2.704 20 10 EFCDHN COC(=O)[C@H]1C[N@@H+](Cc2cc(Br)c(C)cc2[O-])C[C@@H]1C ZINC001237684132 1313692099 /nfs/dbraw/zinc/69/20/99/1313692099.db2.gz HBIUHCRWSQVALT-JQWIXIFHSA-N 0 3 342.233 2.704 20 10 EFCDHN CCOC(=O)C[C@H]1CCCN(Cc2cc(OC)cc(OC)c2O)C1 ZINC001237670692 1313688950 /nfs/dbraw/zinc/68/89/50/1313688950.db2.gz VXXTYFNVCSWJJS-CYBMUJFWSA-N 0 3 337.416 2.575 20 10 EFCDHN COc1cc(CN2CCN(C)[C@@H](c3ccccc3)C2)c(O)c(OC)c1 ZINC001237675146 1313688973 /nfs/dbraw/zinc/68/89/73/1313688973.db2.gz ARBJFSDIRYIRMF-GOSISDBHSA-N 0 3 342.439 2.898 20 10 EFCDHN COc1ccc2ccc(O)c(CN3CCO[C@H]([C@@H]4CCCO4)C3)c2c1 ZINC000089125580 1300705097 /nfs/dbraw/zinc/70/50/97/1300705097.db2.gz KQWNCARJHMPOEV-PMACEKPBSA-N 0 3 343.423 2.934 20 10 EFCDHN COc1ccc2ccc(O)c(CN3CCO[C@@H]([C@H]4CCCO4)C3)c2c1 ZINC000246214074 1300959602 /nfs/dbraw/zinc/95/96/02/1300959602.db2.gz KQWNCARJHMPOEV-WOJBJXKFSA-N 0 3 343.423 2.934 20 10 EFCDHN C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)c2cc([O-])cs2)C1 ZINC000855734168 1301086225 /nfs/dbraw/zinc/08/62/25/1301086225.db2.gz WVTXBNGOLMWXSH-OAHLLOKOSA-N 0 3 330.453 2.843 20 10 EFCDHN C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)c2cc([O-])cs2)C1 ZINC000855734168 1301086237 /nfs/dbraw/zinc/08/62/37/1301086237.db2.gz WVTXBNGOLMWXSH-OAHLLOKOSA-N 0 3 330.453 2.843 20 10 EFCDHN CN(CCc1ccccc1)[C@@H]1CCN(C(=O)C2=CC(=O)CS2)C1 ZINC000855734168 1301086248 /nfs/dbraw/zinc/08/62/48/1301086248.db2.gz WVTXBNGOLMWXSH-OAHLLOKOSA-N 0 3 330.453 2.843 20 10 EFCDHN Cc1cc(F)cc(C[N@@H+]2CC[C@]3(C2)C(=O)Nc2ccccc23)c1[O-] ZINC001238061122 1313753429 /nfs/dbraw/zinc/75/34/29/1313753429.db2.gz NBOSPWZNRHKYLG-LJQANCHMSA-N 0 3 326.371 2.936 20 10 EFCDHN Cc1cc(F)cc(C[N@H+]2CC[C@]3(C2)C(=O)Nc2ccccc23)c1[O-] ZINC001238061122 1313753433 /nfs/dbraw/zinc/75/34/33/1313753433.db2.gz NBOSPWZNRHKYLG-LJQANCHMSA-N 0 3 326.371 2.936 20 10 EFCDHN Cc1cc(F)cc(C[N@H+]2CC[C@@]3(C2)c2ccccc2N(C)C3=O)c1[O-] ZINC001238062240 1313753491 /nfs/dbraw/zinc/75/34/91/1313753491.db2.gz VKEQJHOQTQHLNU-HXUWFJFHSA-N 0 3 340.398 2.960 20 10 EFCDHN Cc1cc(F)cc(C[N@@H+]2CC[C@@]3(C2)c2ccccc2N(C)C3=O)c1[O-] ZINC001238062240 1313753495 /nfs/dbraw/zinc/75/34/95/1313753495.db2.gz VKEQJHOQTQHLNU-HXUWFJFHSA-N 0 3 340.398 2.960 20 10 EFCDHN Cc1cnc(OC2CCN(Cc3cc(F)cc(C)c3O)CC2)nc1 ZINC001238064766 1313754150 /nfs/dbraw/zinc/75/41/50/1313754150.db2.gz BGRZZFORBXUUAV-UHFFFAOYSA-N 0 3 331.391 2.982 20 10 EFCDHN COc1ccnc(OC2CCN(Cc3cc(F)cc(C)c3O)CC2)n1 ZINC001238064714 1313754259 /nfs/dbraw/zinc/75/42/59/1313754259.db2.gz AQBZXJSGPSHCOA-UHFFFAOYSA-N 0 3 347.390 2.682 20 10 EFCDHN Cc1cc(F)cc(CN2CCC(NC(=O)N3CCCC3)CC2)c1O ZINC001238067381 1313754702 /nfs/dbraw/zinc/75/47/02/1313754702.db2.gz ORQXGIIWLLQVNV-UHFFFAOYSA-N 0 3 335.423 2.610 20 10 EFCDHN COc1cc(C)nc(O[C@H]2CCN(Cc3cc(F)cc(C)c3O)C2)n1 ZINC001238066248 1313754772 /nfs/dbraw/zinc/75/47/72/1313754772.db2.gz KUQGOHVXMBXQFI-HNNXBMFYSA-N 0 3 347.390 2.600 20 10 EFCDHN Cc1ccnc(OC2CCN(Cc3cc(F)cc(C)c3O)CC2)n1 ZINC001238069393 1313754937 /nfs/dbraw/zinc/75/49/37/1313754937.db2.gz ZBRYXUCWDSHDQD-UHFFFAOYSA-N 0 3 331.391 2.982 20 10 EFCDHN Cc1cc(F)cc(CN2CCC[C@@H](Oc3nccnc3C)C2)c1O ZINC001238069500 1313755236 /nfs/dbraw/zinc/75/52/36/1313755236.db2.gz ZUWJJEUMGTXJFJ-MRXNPFEDSA-N 0 3 331.391 2.982 20 10 EFCDHN Cc1nc([C@H]2CCCN(Cc3cc(F)c(N(C)C)cc3F)C2)n[nH]1 ZINC000862253114 1302322641 /nfs/dbraw/zinc/32/26/41/1302322641.db2.gz IVHOXQNAJKPQTC-LBPRGKRZSA-N 0 3 335.402 2.837 20 10 EFCDHN Cc1n[nH]c([C@H]2CCCN(Cc3cc(F)c(N(C)C)cc3F)C2)n1 ZINC000862253114 1302322655 /nfs/dbraw/zinc/32/26/55/1302322655.db2.gz IVHOXQNAJKPQTC-LBPRGKRZSA-N 0 3 335.402 2.837 20 10 EFCDHN Cc1nnc([C@H]2CCCN(Cc3cc(F)c(N(C)C)cc3F)C2)[nH]1 ZINC000862253114 1302322667 /nfs/dbraw/zinc/32/26/67/1302322667.db2.gz IVHOXQNAJKPQTC-LBPRGKRZSA-N 0 3 335.402 2.837 20 10 EFCDHN COc1ccc(-n2c(C)cc(C(=O)NC[C@H]3CCCN3C)c2C)cc1 ZINC000862725104 1302446069 /nfs/dbraw/zinc/44/60/69/1302446069.db2.gz HMOBGDKCJVDZLW-QGZVFWFLSA-N 0 3 341.455 2.927 20 10 EFCDHN O=C([C@H]1CCC[C@]12CC[N@@H+](Cc1cc(F)ccc1[O-])C2)N1CC=CC1 ZINC001278257359 1313846607 /nfs/dbraw/zinc/84/66/07/1313846607.db2.gz UJTFNTDVKOIOAU-YLJYHZDGSA-N 0 3 344.430 2.922 20 10 EFCDHN O=C([C@H]1CCC[C@]12CC[N@H+](Cc1cc(F)ccc1[O-])C2)N1CC=CC1 ZINC001278257359 1313846610 /nfs/dbraw/zinc/84/66/10/1313846610.db2.gz UJTFNTDVKOIOAU-YLJYHZDGSA-N 0 3 344.430 2.922 20 10 EFCDHN O=C(N1CCCC12CC2)[C@@]12C[C@@H]1C[N@@H+](Cc1cc(F)ccc1[O-])C2 ZINC001278255429 1313844916 /nfs/dbraw/zinc/84/49/16/1313844916.db2.gz URIZZHYRPRIMTQ-AUUYWEPGSA-N 0 3 330.403 2.508 20 10 EFCDHN O=C(N1CCCC12CC2)[C@@]12C[C@@H]1C[N@H+](Cc1cc(F)ccc1[O-])C2 ZINC001278255429 1313844918 /nfs/dbraw/zinc/84/49/18/1313844918.db2.gz URIZZHYRPRIMTQ-AUUYWEPGSA-N 0 3 330.403 2.508 20 10 EFCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCO[C@]4(CCO[C@@H]4C)C3)c2c1 ZINC000794661419 1302883513 /nfs/dbraw/zinc/88/35/13/1302883513.db2.gz HLIYIRWIEFIXCC-JLTOFOAXSA-N 0 3 343.423 2.934 20 10 EFCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCO[C@]4(CCO[C@@H]4C)C3)c2c1 ZINC000794661419 1302883522 /nfs/dbraw/zinc/88/35/22/1302883522.db2.gz HLIYIRWIEFIXCC-JLTOFOAXSA-N 0 3 343.423 2.934 20 10 EFCDHN CC[C@@H](CSC)N(C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000091099903 1303000041 /nfs/dbraw/zinc/00/00/41/1303000041.db2.gz XIEZLBUZTOMUAK-INIZCTEOSA-N 0 3 337.533 2.784 20 10 EFCDHN CC[C@H]([NH2+][C@H]1C[C@H](C)N(c2cnn(C)c2)C1=O)c1ccc(C)cc1[O-] ZINC000794812548 1303171719 /nfs/dbraw/zinc/17/17/19/1303171719.db2.gz MJDVRERKXRWDJL-JQFCIGGWSA-N 0 3 342.443 2.669 20 10 EFCDHN CC[C@H]([NH2+][C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O)c1ccc(C)cc1[O-] ZINC000794812550 1303171814 /nfs/dbraw/zinc/17/18/14/1303171814.db2.gz MJDVRERKXRWDJL-RRQGHBQHSA-N 0 3 342.443 2.669 20 10 EFCDHN Fc1cc(CN2CCC[C@H](c3cc[nH]n3)C2)ccc1N1CCOCC1 ZINC000121224332 1303787895 /nfs/dbraw/zinc/78/78/95/1303787895.db2.gz ZZFNHHKMEKVZQU-INIZCTEOSA-N 0 3 344.434 2.765 20 10 EFCDHN CCOc1ccc(C[NH2+]Cc2ccc(C[S@@](C)=O)cc2)c([O-])c1 ZINC000796525609 1305821693 /nfs/dbraw/zinc/82/16/93/1305821693.db2.gz FCPSBQHYZZWXFR-HSZRJFAPSA-N 0 3 333.453 2.959 20 10 EFCDHN Cc1cc(C[N@@H+]2CC[C@H]3COC[C@@H]3C2)c([O-])cc1Br ZINC001250133404 1315177516 /nfs/dbraw/zinc/17/75/16/1315177516.db2.gz LVSQYRYEQPYOIA-AAEUAGOBSA-N 0 3 326.234 2.931 20 10 EFCDHN Cc1cc(C[N@H+]2CC[C@H]3COC[C@@H]3C2)c([O-])cc1Br ZINC001250133404 1315177519 /nfs/dbraw/zinc/17/75/19/1315177519.db2.gz LVSQYRYEQPYOIA-AAEUAGOBSA-N 0 3 326.234 2.931 20 10 EFCDHN Cc1ccc(C)n1-c1ccc(CN2CCN(CC(C)(C)O)CC2)cc1 ZINC001209519677 1314178369 /nfs/dbraw/zinc/17/83/69/1314178369.db2.gz DQVIDRYEGQWXEM-UHFFFAOYSA-N 0 3 341.499 2.983 20 10 EFCDHN COC[C@H]1CN(Cc2cc(Cl)c(C(C)(C)C)cc2[O-])CC[NH2+]1 ZINC001210123114 1314285336 /nfs/dbraw/zinc/28/53/36/1314285336.db2.gz YVAUGPXCWRFCTP-CYBMUJFWSA-N 0 3 326.868 2.763 20 10 EFCDHN Cc1cc([O-])c(C[N@@H+]2CC[C@H]3[C@@H]2CCN3Cc2cn[nH]c2)cc1Cl ZINC001276372539 1314288360 /nfs/dbraw/zinc/28/83/60/1314288360.db2.gz XHNYHTHUARQLSY-IRXDYDNUSA-N 0 3 346.862 2.926 20 10 EFCDHN Cc1cc([O-])c(C[N@H+]2CC[C@H]3[C@@H]2CCN3Cc2cn[nH]c2)cc1Cl ZINC001276372539 1314288363 /nfs/dbraw/zinc/28/83/63/1314288363.db2.gz XHNYHTHUARQLSY-IRXDYDNUSA-N 0 3 346.862 2.926 20 10 EFCDHN CCCCN(CC(=O)N1C[C@H](C)O[C@@H](C)C1)Cc1ccccc1O ZINC000801597078 1310575773 /nfs/dbraw/zinc/57/57/73/1310575773.db2.gz AEJILUWVSKHQPF-HOTGVXAUSA-N 0 3 334.460 2.630 20 10 EFCDHN C[C@@H]1CC[C@@H](C)N1CC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000752151553 1311148251 /nfs/dbraw/zinc/14/82/51/1311148251.db2.gz JTJPEBIABBUAMI-NUJGCVRESA-N 0 3 346.471 2.773 20 10 EFCDHN O=C([C@@H]1CC12CC[NH+](Cc1ccccc1[O-])CC2)N1CCCCO1 ZINC001277445142 1312185611 /nfs/dbraw/zinc/18/56/11/1312185611.db2.gz BGEMNNPKOMFITI-INIZCTEOSA-N 0 3 330.428 2.548 20 10 EFCDHN COc1ccc(C[NH+]2CCC3(CC[C@@H](C(=O)N(C)C)C3)CC2)c([O-])c1 ZINC001277458390 1312253744 /nfs/dbraw/zinc/25/37/44/1312253744.db2.gz WYFQIUPXKNARAQ-OAHLLOKOSA-N 0 3 346.471 2.871 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=O)OCC(F)(F)F)N(C)C)cc1 ZINC000903046741 1312307891 /nfs/dbraw/zinc/30/78/91/1312307891.db2.gz YQZSZCQMOLQSRP-CYBMUJFWSA-N 0 3 333.354 2.644 20 10 EFCDHN CCN(C(=O)[C@@]12C[C@@H]1CCN2Cc1cc(OC)ccc1O)C(C)C ZINC001277462854 1312311836 /nfs/dbraw/zinc/31/18/36/1312311836.db2.gz ZENKMRJUSNJEDS-HNAYVOBHSA-N 0 3 332.444 2.622 20 10 EFCDHN CC[C@H]([NH2+]CCN1Cc2ccccc2OCC1=O)c1ccccc1[O-] ZINC000903181751 1312437915 /nfs/dbraw/zinc/43/79/15/1312437915.db2.gz UVMLZBADSDSAOV-KRWDZBQOSA-N 0 3 340.423 2.854 20 10 EFCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@@H+]1CC[C@@H](F)[C@@H](O)C1 ZINC001231465561 1312504578 /nfs/dbraw/zinc/50/45/78/1312504578.db2.gz FFZKGFFBYJKPDM-MJGOQNOKSA-N 0 3 331.387 2.876 20 10 EFCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@H+]1CC[C@@H](F)[C@@H](O)C1 ZINC001231465561 1312504581 /nfs/dbraw/zinc/50/45/81/1312504581.db2.gz FFZKGFFBYJKPDM-MJGOQNOKSA-N 0 3 331.387 2.876 20 10 EFCDHN Oc1cc(OCc2ccccc2)ccc1CN1CC[C@@H](F)[C@@H](O)C1 ZINC001231465561 1312504585 /nfs/dbraw/zinc/50/45/85/1312504585.db2.gz FFZKGFFBYJKPDM-MJGOQNOKSA-N 0 3 331.387 2.876 20 10 EFCDHN CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+][C@@H](C)c1ccccc1[O-] ZINC000903267210 1312523234 /nfs/dbraw/zinc/52/32/34/1312523234.db2.gz BRRXGVCVDIVTGS-JGGQBBKZSA-N 0 3 336.432 2.677 20 10 EFCDHN COc1ccc(Br)c(C[N@@H+]2CCC[C@@H]2C(C)(C)O)c1[O-] ZINC001231558250 1312525308 /nfs/dbraw/zinc/52/53/08/1312525308.db2.gz ZVIYKHVIIYYZLH-CYBMUJFWSA-N 0 3 344.249 2.899 20 10 EFCDHN COc1ccc(Br)c(C[N@H+]2CCC[C@@H]2C(C)(C)O)c1[O-] ZINC001231558250 1312525312 /nfs/dbraw/zinc/52/53/12/1312525312.db2.gz ZVIYKHVIIYYZLH-CYBMUJFWSA-N 0 3 344.249 2.899 20 10 EFCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CC[C@@H](N2CCOCC2)[C@@H](F)C1 ZINC001231590651 1312528981 /nfs/dbraw/zinc/52/89/81/1312528981.db2.gz CYOWWOZGPJNNRQ-RBUKOAKNSA-N 0 3 344.430 2.790 20 10 EFCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CC[C@@H](N2CCOCC2)[C@@H](F)C1 ZINC001231590651 1312528982 /nfs/dbraw/zinc/52/89/82/1312528982.db2.gz CYOWWOZGPJNNRQ-RBUKOAKNSA-N 0 3 344.430 2.790 20 10 EFCDHN COc1cc(CN2CC[C@H](N3CCCCC3)[C@@H](F)C2)c(O)cc1O ZINC001231637516 1312536651 /nfs/dbraw/zinc/53/66/51/1312536651.db2.gz IHIMYHJWPLYWAY-GJZGRUSLSA-N 0 3 338.423 2.505 20 10 EFCDHN COc1cc(CN2CCN(Cc3ccccc3)[C@@H](C)C2)c(O)cc1O ZINC001231638772 1312537324 /nfs/dbraw/zinc/53/73/24/1312537324.db2.gz GDZPETMJAXFICX-HNNXBMFYSA-N 0 3 342.439 2.813 20 10 EFCDHN Cc1ccc(C[N@@H+]2C[C@H]3C[C@@]3(C(=O)NC3CCC(F)CC3)C2)c([O-])c1 ZINC001277567679 1312566001 /nfs/dbraw/zinc/56/60/01/1312566001.db2.gz HGEAXKMFNSJUHY-FLAIETJXSA-N 0 3 346.446 2.919 20 10 EFCDHN Cc1ccc(C[N@H+]2C[C@H]3C[C@@]3(C(=O)NC3CCC(F)CC3)C2)c([O-])c1 ZINC001277567679 1312566004 /nfs/dbraw/zinc/56/60/04/1312566004.db2.gz HGEAXKMFNSJUHY-FLAIETJXSA-N 0 3 346.446 2.919 20 10 EFCDHN Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)[C@H]3C(=O)N2CC=CC2)c([O-])c1 ZINC001277569310 1312568656 /nfs/dbraw/zinc/56/86/56/1312568656.db2.gz ZGPZGFOLZOIITB-IZZQQSIFSA-N 0 3 326.440 2.557 20 10 EFCDHN Cc1ccc(C[N@H+]2C[C@@H]3CC[C@H](C2)[C@H]3C(=O)N2CC=CC2)c([O-])c1 ZINC001277569310 1312568659 /nfs/dbraw/zinc/56/86/59/1312568659.db2.gz ZGPZGFOLZOIITB-IZZQQSIFSA-N 0 3 326.440 2.557 20 10 EFCDHN Cc1cc(C)c(CN2CCN(CCc3ccncc3)CC2)c(O)c1 ZINC001231845474 1312573630 /nfs/dbraw/zinc/57/36/30/1312573630.db2.gz MKEXWDVNDGZQBD-UHFFFAOYSA-N 0 3 325.456 2.764 20 10 EFCDHN COc1cc(N(C)C)ccc1CN1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC001231853702 1312575146 /nfs/dbraw/zinc/57/51/46/1312575146.db2.gz ODNTTXBHCQZJOS-OAHLLOKOSA-N 0 3 334.460 2.925 20 10 EFCDHN COc1cc(N(C)C)ccc1CN(C(C)C)[C@H]1CCN(C(C)=O)C1 ZINC001231857258 1312576127 /nfs/dbraw/zinc/57/61/27/1312576127.db2.gz HJMYVXJXJVBFAD-SFHVURJKSA-N 0 3 333.476 2.592 20 10 EFCDHN C[C@H]1CN(Cc2ccc(N3CCOCC3)c(Cl)c2)CC[C@]1(C)O ZINC001232194569 1312646409 /nfs/dbraw/zinc/64/64/09/1312646409.db2.gz JXPCRFOOITZGRZ-KSSFIOAISA-N 0 3 338.879 2.769 20 10 EFCDHN Clc1cc(CN2CC[C@@]3(CCOC3)C2)ccc1N1CCOCC1 ZINC001232194229 1312646630 /nfs/dbraw/zinc/64/66/30/1312646630.db2.gz FRMKNYLWLPOOAQ-GOSISDBHSA-N 0 3 336.863 2.789 20 10 EFCDHN CCN1CCN(Cc2ccc(N3CCOCC3)c(Cl)c2)C[C@H]1C ZINC001232203692 1312648999 /nfs/dbraw/zinc/64/89/99/1312648999.db2.gz FPSOUJZULPPHTD-OAHLLOKOSA-N 0 3 337.895 2.703 20 10 EFCDHN CC[C@H](F)CN[C@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001211344939 1314480652 /nfs/dbraw/zinc/48/06/52/1314480652.db2.gz HCPJTPPBABBHPB-ZFWWWQNUSA-N 0 3 349.410 2.791 20 10 EFCDHN COc1cc(I)cc(C[N@H+](C)C(C)C)c1[O-] ZINC001248385946 1314930563 /nfs/dbraw/zinc/93/05/63/1314930563.db2.gz FFDSOSDTPJURSE-UHFFFAOYSA-N 0 3 335.185 2.846 20 10 EFCDHN COc1cc(I)cc(C[N@@H+](C)C(C)C)c1[O-] ZINC001248385946 1314930566 /nfs/dbraw/zinc/93/05/66/1314930566.db2.gz FFDSOSDTPJURSE-UHFFFAOYSA-N 0 3 335.185 2.846 20 10 EFCDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@@H](F)C(F)(F)CC2)c([O-])c1 ZINC001249171601 1315028434 /nfs/dbraw/zinc/02/84/34/1315028434.db2.gz DDAMLJBBQPYHOW-CQSZACIVSA-N 0 3 331.334 2.677 20 10 EFCDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@@H](F)C(F)(F)CC2)c([O-])c1 ZINC001249171601 1315028438 /nfs/dbraw/zinc/02/84/38/1315028438.db2.gz DDAMLJBBQPYHOW-CQSZACIVSA-N 0 3 331.334 2.677 20 10 EFCDHN COC(=O)Cc1ccc(C[N@@H+]2CCC[C@H](C(F)(F)F)C2)c([O-])c1 ZINC001249201583 1315032756 /nfs/dbraw/zinc/03/27/56/1315032756.db2.gz ZEAMOIAFNHOFOW-ZDUSSCGKSA-N 0 3 331.334 2.882 20 10 EFCDHN COC(=O)Cc1ccc(C[N@H+]2CCC[C@H](C(F)(F)F)C2)c([O-])c1 ZINC001249201583 1315032759 /nfs/dbraw/zinc/03/27/59/1315032759.db2.gz ZEAMOIAFNHOFOW-ZDUSSCGKSA-N 0 3 331.334 2.882 20 10 EFCDHN COC(=O)Cc1ccc(C[N@@H+]2CCC[C@@H]2Cc2ccccn2)c([O-])c1 ZINC001249201456 1315033059 /nfs/dbraw/zinc/03/30/59/1315033059.db2.gz SSKMZJYCHXUFJL-GOSISDBHSA-N 0 3 340.423 2.710 20 10 EFCDHN COC(=O)Cc1ccc(C[N@H+]2CCC[C@@H]2Cc2ccccn2)c([O-])c1 ZINC001249201456 1315033063 /nfs/dbraw/zinc/03/30/63/1315033063.db2.gz SSKMZJYCHXUFJL-GOSISDBHSA-N 0 3 340.423 2.710 20 10 EFCDHN COC(=O)Cc1ccc(C[N@@H+]2CCc3c(cccc3OC)C2)c([O-])c1 ZINC001249214040 1315033631 /nfs/dbraw/zinc/03/36/31/1315033631.db2.gz DIJORTYGWYRFQE-UHFFFAOYSA-N 0 3 341.407 2.675 20 10 EFCDHN COC(=O)Cc1ccc(C[N@H+]2CCc3c(cccc3OC)C2)c([O-])c1 ZINC001249214040 1315033635 /nfs/dbraw/zinc/03/36/35/1315033635.db2.gz DIJORTYGWYRFQE-UHFFFAOYSA-N 0 3 341.407 2.675 20 10 EFCDHN COC(=O)Cc1ccc(CN2CCc3c(cccc3OC)C2)c(O)c1 ZINC001249214040 1315033638 /nfs/dbraw/zinc/03/36/38/1315033638.db2.gz DIJORTYGWYRFQE-UHFFFAOYSA-N 0 3 341.407 2.675 20 10 EFCDHN COC(=O)Cc1ccc(CN2CCc3cc(F)ccc3C2)c(O)c1 ZINC001249214367 1315033849 /nfs/dbraw/zinc/03/38/49/1315033849.db2.gz KOCUBOSPJBCVOQ-UHFFFAOYSA-N 0 3 329.371 2.805 20 10 EFCDHN COC(=O)Cc1ccc(C[N@@H+]2CCc3cc(C)ccc3C2)c([O-])c1 ZINC001249216667 1315033992 /nfs/dbraw/zinc/03/39/92/1315033992.db2.gz GVZNKCIZJXDDQC-UHFFFAOYSA-N 0 3 325.408 2.974 20 10 EFCDHN COC(=O)Cc1ccc(C[N@H+]2CCc3cc(C)ccc3C2)c([O-])c1 ZINC001249216667 1315033996 /nfs/dbraw/zinc/03/39/96/1315033996.db2.gz GVZNKCIZJXDDQC-UHFFFAOYSA-N 0 3 325.408 2.974 20 10 EFCDHN COC(=O)Cc1ccc(C[NH+]2CCC3(CCCOC3)CC2)c([O-])c1 ZINC001249215296 1315034057 /nfs/dbraw/zinc/03/40/57/1315034057.db2.gz ZQWWQZDFFPFKEZ-UHFFFAOYSA-N 0 3 333.428 2.500 20 10 EFCDHN COC(=O)C1CC[NH+](Cc2ccc3c(c2[O-])C=CC(C)(C)O3)CC1 ZINC001249230308 1315035930 /nfs/dbraw/zinc/03/59/30/1315035930.db2.gz BWDNTPHFOWFDLY-UHFFFAOYSA-N 0 3 331.412 2.961 20 10 EFCDHN COC(=O)C1CCN(Cc2ccc3c(c2O)C=CC(C)(C)O3)CC1 ZINC001249230308 1315035933 /nfs/dbraw/zinc/03/59/33/1315035933.db2.gz BWDNTPHFOWFDLY-UHFFFAOYSA-N 0 3 331.412 2.961 20 10 EFCDHN CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc2c(c1[O-])C=CC(C)(C)O2 ZINC001249237298 1315037656 /nfs/dbraw/zinc/03/76/56/1315037656.db2.gz AYKQPYMYYQRUBI-HZPDHXFCSA-N 0 3 342.439 2.772 20 10 EFCDHN CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccc2c(c1[O-])C=CC(C)(C)O2 ZINC001249237298 1315037661 /nfs/dbraw/zinc/03/76/61/1315037661.db2.gz AYKQPYMYYQRUBI-HZPDHXFCSA-N 0 3 342.439 2.772 20 10 EFCDHN CC(=O)N[C@@H]1CCCN(Cc2ccc3c(c2O)C=CC(C)(C)O3)C1 ZINC001249244637 1315038262 /nfs/dbraw/zinc/03/82/62/1315038262.db2.gz KFDMKDOWBSKLOJ-OAHLLOKOSA-N 0 3 330.428 2.677 20 10 EFCDHN CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc3c(c2[O-])C=CC(C)(C)O3)C1 ZINC001249244637 1315038265 /nfs/dbraw/zinc/03/82/65/1315038265.db2.gz KFDMKDOWBSKLOJ-OAHLLOKOSA-N 0 3 330.428 2.677 20 10 EFCDHN CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc3c(c2[O-])C=CC(C)(C)O3)C1 ZINC001249244637 1315038269 /nfs/dbraw/zinc/03/82/69/1315038269.db2.gz KFDMKDOWBSKLOJ-OAHLLOKOSA-N 0 3 330.428 2.677 20 10 EFCDHN CC1(C)C=Cc2c([O-])c(C[NH+]3CCC(C)(C(N)=O)CC3)ccc2O1 ZINC001249244651 1315038449 /nfs/dbraw/zinc/03/84/49/1315038449.db2.gz KVBPFVFLYRMJOR-UHFFFAOYSA-N 0 3 330.428 2.664 20 10 EFCDHN Cc1nc(C)c(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)s1 ZINC000038635183 1315039547 /nfs/dbraw/zinc/03/95/47/1315039547.db2.gz CAIFTJZJTBREOX-MRXNPFEDSA-N 0 3 346.500 2.859 20 10 EFCDHN COc1c(F)cccc1-c1noc(C[C@@H]([NH3+])c2ccccc2[O-])n1 ZINC001249339566 1315056271 /nfs/dbraw/zinc/05/62/71/1315056271.db2.gz LTOFLNHRPYMABA-CYBMUJFWSA-N 0 3 329.331 2.832 20 10 EFCDHN COc1cc(Cl)cnc1-c1noc(C[C@@H]([NH3+])c2ccccc2[O-])n1 ZINC001249338947 1315056291 /nfs/dbraw/zinc/05/62/91/1315056291.db2.gz KZSRPXUGBIGRNV-LLVKDONJSA-N 0 3 346.774 2.742 20 10 EFCDHN C[NH2+][C@H]1C[C@H](Oc2cc(C)cc3c2C(=O)c2c([O-])cccc2C3=O)C1 ZINC001217949941 1315124128 /nfs/dbraw/zinc/12/41/28/1315124128.db2.gz BPVQHNQMRQWLSC-HAQNSBGRSA-N 0 3 337.375 2.605 20 10 EFCDHN O=C(c1ccccc1)c1ccc([O-])c(O)c1O[C@H]1C[NH2+]CCC[C@H]1F ZINC001217978602 1315128378 /nfs/dbraw/zinc/12/83/78/1315128378.db2.gz QQPVBUNOJFVYOH-ZBFHGGJFSA-N 0 3 345.370 2.798 20 10 EFCDHN CCOC(=O)CCCOc1ccc(C[N@@H+]2CC[C@@H](C(C)=O)C2)c([O-])c1 ZINC001249743325 1315129351 /nfs/dbraw/zinc/12/93/51/1315129351.db2.gz KJMSMNKUGGGACG-OAHLLOKOSA-N 0 3 349.427 2.525 20 10 EFCDHN CCOC(=O)CCCOc1ccc(C[N@H+]2CC[C@@H](C(C)=O)C2)c([O-])c1 ZINC001249743325 1315129353 /nfs/dbraw/zinc/12/93/53/1315129353.db2.gz KJMSMNKUGGGACG-OAHLLOKOSA-N 0 3 349.427 2.525 20 10 EFCDHN O=C1c2cccc(O[C@@H]3CC[C@@]34CC[NH2+]C4)c2C(=O)c2cccc([O-])c21 ZINC001218114898 1315151034 /nfs/dbraw/zinc/15/10/34/1315151034.db2.gz DNWWXCFARWPPPX-IERDGZPVSA-N 0 3 349.386 2.689 20 10 EFCDHN O=C1c2cccc([O-])c2C(=O)c2c(O[C@@H]3CCC4(C[NH2+]C4)C3)cccc21 ZINC001218233831 1315168049 /nfs/dbraw/zinc/16/80/49/1315168049.db2.gz AOYYRNAHOOONRM-GFCCVEGCSA-N 0 3 349.386 2.689 20 10 EFCDHN Cc1cc(O[C@H]2CCC23C[NH2+]C3)c2c(c1)C(=O)c1cccc([O-])c1C2=O ZINC001218242139 1315169552 /nfs/dbraw/zinc/16/95/52/1315169552.db2.gz NVOKLGHBEIRONK-INIZCTEOSA-N 0 3 349.386 2.607 20 10 EFCDHN Cc1cc(CN2CC(N3CCCC3)C2)c(O)cc1Br ZINC001250128977 1315176944 /nfs/dbraw/zinc/17/69/44/1315176944.db2.gz SLBPDUICSWDUFZ-UHFFFAOYSA-N 0 3 325.250 2.743 20 10 EFCDHN Cc1cc(CN2C[C@H]3CC[C@@H](C2)N3C)c(O)cc1Br ZINC001250133182 1315177117 /nfs/dbraw/zinc/17/71/17/1315177117.db2.gz JPVAVVCMHKUUKU-BETUJISGSA-N 0 3 325.250 2.742 20 10 EFCDHN COC(=O)[C@]1(C)CC[N@H+](Cc2cc(C)c(Br)cc2[O-])C1 ZINC001250135442 1315177611 /nfs/dbraw/zinc/17/76/11/1315177611.db2.gz AFRQKYBYBUCZNH-OAHLLOKOSA-N 0 3 342.233 2.848 20 10 EFCDHN COC(=O)[C@]1(C)CC[N@@H+](Cc2cc(C)c(Br)cc2[O-])C1 ZINC001250135442 1315177615 /nfs/dbraw/zinc/17/76/15/1315177615.db2.gz AFRQKYBYBUCZNH-OAHLLOKOSA-N 0 3 342.233 2.848 20 10 EFCDHN O=C1c2ccccc2C(=O)c2c(O[C@H]3CNCCC3(F)F)cccc21 ZINC001218448244 1315197433 /nfs/dbraw/zinc/19/74/33/1315197433.db2.gz NPQPKELIJDEPGQ-HNNXBMFYSA-N 0 3 343.329 2.838 20 10 EFCDHN O=C1c2cccc([O-])c2C(=O)c2c(O[C@@H]3CC[C@@H]4C[NH2+]C[C@@H]34)cccc21 ZINC001218473852 1315201714 /nfs/dbraw/zinc/20/17/14/1315201714.db2.gz SBCXFJXYBLTMHP-DJSGYFEHSA-N 0 3 349.386 2.544 20 10 EFCDHN CC(=O)Nc1ccc2nc(-c3ccc(N4CCN(C)CC4)cc3)[nH]c2c1 ZINC001250773011 1315262622 /nfs/dbraw/zinc/26/26/22/1315262622.db2.gz HJJPQCCGSIMZKX-UHFFFAOYSA-N 0 3 349.438 2.940 20 10 EFCDHN CCc1ccc(CN2C[C@@H]3CN(C4CCCC4)C[C@H](C2)O3)c(O)c1 ZINC001276804858 1315312739 /nfs/dbraw/zinc/31/27/39/1315312739.db2.gz MFXVDUCUGNKVIZ-KDURUIRLSA-N 0 3 330.472 2.782 20 10 EFCDHN CN1CCO[C@]2(CCC[N@H+](Cc3cc4ccccc4cc3[O-])C2)C1 ZINC001276813761 1315415668 /nfs/dbraw/zinc/41/56/68/1315415668.db2.gz SQBNRBZSKRWDQR-HXUWFJFHSA-N 0 3 326.440 2.842 20 10 EFCDHN CN1CCO[C@]2(CCC[N@@H+](Cc3cc4ccccc4cc3[O-])C2)C1 ZINC001276813761 1315415671 /nfs/dbraw/zinc/41/56/71/1315415671.db2.gz SQBNRBZSKRWDQR-HXUWFJFHSA-N 0 3 326.440 2.842 20 10 EFCDHN CCOc1ccc(CN2C[C@@H]3COC[C@H](C2)N3C2CCCC2)c(O)c1 ZINC001276814049 1315423999 /nfs/dbraw/zinc/42/39/99/1315423999.db2.gz BVLANIFDTITKBW-HDICACEKSA-N 0 3 346.471 2.619 20 10 EFCDHN CC1CC(CN2CC[C@H]2CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001039061757 1315434657 /nfs/dbraw/zinc/43/46/57/1315434657.db2.gz UBUVXQUXKQJDCV-ZUEPYMLJSA-N 0 3 343.431 2.699 20 10 EFCDHN CCOc1ccc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3Cc2ccc[nH]2)c([O-])c1 ZINC001276815051 1315437368 /nfs/dbraw/zinc/43/73/68/1315437368.db2.gz OJNUHFJULXGQHX-OALUTQOASA-N 0 3 341.455 2.968 20 10 EFCDHN CCOc1ccc(C[N@H+]2CC[C@H]3[C@@H]2CCN3Cc2ccc[nH]2)c([O-])c1 ZINC001276815051 1315437373 /nfs/dbraw/zinc/43/73/73/1315437373.db2.gz OJNUHFJULXGQHX-OALUTQOASA-N 0 3 341.455 2.968 20 10 EFCDHN CC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)COc1ccccc1OC ZINC001252895425 1315524868 /nfs/dbraw/zinc/52/48/68/1315524868.db2.gz WQWWAIUBJCJGNQ-MRXNPFEDSA-N 0 3 331.412 2.663 20 10 EFCDHN CC[N@H+](Cc1ccccc1[O-])C[C@@H](O)COc1ccccc1OC ZINC001252895425 1315524870 /nfs/dbraw/zinc/52/48/70/1315524870.db2.gz WQWWAIUBJCJGNQ-MRXNPFEDSA-N 0 3 331.412 2.663 20 10 EFCDHN CC[N@@H+](Cc1ccccc1[O-])C[C@H](O)COc1ccccc1OC ZINC001252895424 1315524911 /nfs/dbraw/zinc/52/49/11/1315524911.db2.gz WQWWAIUBJCJGNQ-INIZCTEOSA-N 0 3 331.412 2.663 20 10 EFCDHN CC[N@H+](Cc1ccccc1[O-])C[C@H](O)COc1ccccc1OC ZINC001252895424 1315524914 /nfs/dbraw/zinc/52/49/14/1315524914.db2.gz WQWWAIUBJCJGNQ-INIZCTEOSA-N 0 3 331.412 2.663 20 10 EFCDHN CCCC[C@H](CC)COC[C@@H](O)CNCc1ccc(O)c(O)c1 ZINC001253027415 1315557035 /nfs/dbraw/zinc/55/70/35/1315557035.db2.gz WZJGASHXSQDSIS-HOCLYGCPSA-N 0 3 325.449 2.781 20 10 EFCDHN COc1ccc(N2CCN([C@H]3C[C@@H]4CC(=O)C[C@@H]4C3)CC2)c(C)c1 ZINC001254963958 1315766095 /nfs/dbraw/zinc/76/60/95/1315766095.db2.gz MUBLZNXATLAAEK-FVQHAEBGSA-N 0 3 328.456 2.883 20 10 EFCDHN CN1CCCc2cc(CNC(=O)[C@@H]3CNCc4ccccc43)ccc21 ZINC000827914126 1316031620 /nfs/dbraw/zinc/03/16/20/1316031620.db2.gz XXYWSEAHTMJLBW-LJQANCHMSA-N 0 3 335.451 2.572 20 10 EFCDHN CN1CCCc2cc(CNC(=O)[C@H]3CNCc4ccccc43)ccc21 ZINC000827914125 1316031645 /nfs/dbraw/zinc/03/16/45/1316031645.db2.gz XXYWSEAHTMJLBW-IBGZPJMESA-N 0 3 335.451 2.572 20 10 EFCDHN O=C1CC[C@H]([NH2+]Cc2cccc(O)c2[O-])CCN1Cc1ccccc1 ZINC001258574205 1316164183 /nfs/dbraw/zinc/16/41/83/1316164183.db2.gz OSYMYIHSEUCYDU-KRWDZBQOSA-N 0 3 340.423 2.769 20 10 EFCDHN COc1cc(C[C@@H](C)[NH2+]Cc2ccc(O)cc2[O-])cc(OC)c1OC ZINC001258856349 1316185280 /nfs/dbraw/zinc/18/52/80/1316185280.db2.gz HJLPFMXASWHHFX-GFCCVEGCSA-N 0 3 347.411 2.844 20 10 EFCDHN CN(C)c1ccc([C@@H](CNc2ccc3c(n2)CCC3=O)N(C)C)cc1 ZINC001262377224 1316465004 /nfs/dbraw/zinc/46/50/04/1316465004.db2.gz PGSBMHFVZWEDHU-GOSISDBHSA-N 0 3 338.455 2.991 20 10 EFCDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NCc2ccc(N)cc2)C1 ZINC001262597241 1316474724 /nfs/dbraw/zinc/47/47/24/1316474724.db2.gz JFXFWEAUFWDKQW-KXBFYZLASA-N 0 3 338.455 2.904 20 10 EFCDHN [O-]c1ccc2ccccc2c1C[NH+]1CC2(CN(CCn3ccnc3)C2)C1 ZINC001279294591 1317227988 /nfs/dbraw/zinc/22/79/88/1317227988.db2.gz WBUBDUFKXXRMPO-UHFFFAOYSA-N 0 3 348.450 2.560 20 10 EFCDHN [O-]c1c(C[NH+]2CC3(CN(CCn4ccnc4)C3)C2)ccc2ccccc21 ZINC001279437083 1317263161 /nfs/dbraw/zinc/26/31/61/1317263161.db2.gz HAWJDZLGQFSOBH-UHFFFAOYSA-N 0 3 348.450 2.560 20 10 EFCDHN [O-]c1cc2ccccc2cc1C[N@@H+]1CC[C@H]2CN(Cc3cn[nH]c3)C[C@H]21 ZINC001279667138 1317352493 /nfs/dbraw/zinc/35/24/93/1317352493.db2.gz PTWIVINQIYRNQZ-AZUAARDMSA-N 0 3 348.450 2.975 20 10 EFCDHN [O-]c1cc2ccccc2cc1C[N@H+]1CC[C@H]2CN(Cc3cn[nH]c3)C[C@H]21 ZINC001279667138 1317352503 /nfs/dbraw/zinc/35/25/03/1317352503.db2.gz PTWIVINQIYRNQZ-AZUAARDMSA-N 0 3 348.450 2.975 20 10 EFCDHN CN(Cc1ccc(N2CCN(C)CC2)c(F)c1)C[C@@H]1CCCCO1 ZINC001319948363 1329041872 /nfs/dbraw/zinc/04/18/72/1329041872.db2.gz SWGFXZRLDVGGPK-KRWDZBQOSA-N 0 3 335.467 2.578 20 10 EFCDHN C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3cnn(C)c3)C2)c2c1c(F)ccc2[O-] ZINC001320125383 1329090018 /nfs/dbraw/zinc/09/00/18/1329090018.db2.gz RTBMJSBFTIPLGR-JMSVASOKSA-N 0 3 330.407 2.682 20 10 EFCDHN CN(C)c1ccc(CNC(=O)CN2CC[C@@H]3CCCC[C@H]3C2)cc1 ZINC001324133198 1329602290 /nfs/dbraw/zinc/60/22/90/1329602290.db2.gz KWTUAKRBTLANCO-ROUUACIJSA-N 0 3 329.488 2.881 20 10 EFCDHN COc1cc(Cl)cc(C[NH2+]C[C@H](CO)CC2CCOCC2)c1[O-] ZINC001324758953 1329656594 /nfs/dbraw/zinc/65/65/94/1329656594.db2.gz NWHXXBNXPFIIBE-CYBMUJFWSA-N 0 3 343.851 2.569 20 10 EFCDHN Cc1c([C@@H](C)NCc2ccc(N3CCC(O)CC3)cc2)cnn1C ZINC001333319597 1331115235 /nfs/dbraw/zinc/11/52/35/1331115235.db2.gz HVFOGAYAMYGNHX-CQSZACIVSA-N 0 3 328.460 2.540 20 10 EFCDHN Cc1cc(NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)sn1 ZINC001333487734 1331153879 /nfs/dbraw/zinc/15/38/79/1331153879.db2.gz ZUJZSGVUMLGPAR-HNNXBMFYSA-N 0 3 347.488 2.942 20 10 EFCDHN Cc1cc(N)nc(NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)n1 ZINC001333676710 1331192474 /nfs/dbraw/zinc/19/24/74/1331192474.db2.gz ABBJVMCJTRWUJE-CHWSQXEVSA-N 0 3 345.422 2.732 20 10 EFCDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)NCc1ccc(N)cc1 ZINC001335525035 1331367168 /nfs/dbraw/zinc/36/71/68/1331367168.db2.gz IFFZMXSCEWETLA-OAHLLOKOSA-N 0 3 326.444 2.589 20 10 EFCDHN Cc1cc(C(=O)NC[C@@H]2CCCCN2C)c(C)n1-c1ccccn1 ZINC001336204001 1331446229 /nfs/dbraw/zinc/44/62/29/1331446229.db2.gz RRIOEOBCNYZZEQ-INIZCTEOSA-N 0 3 326.444 2.703 20 10 EFCDHN CN(CCOC(C)(C)C)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001337042628 1331530609 /nfs/dbraw/zinc/53/06/09/1331530609.db2.gz OWSQILGQQYPXHL-UHFFFAOYSA-N 0 3 337.483 2.824 20 10 EFCDHN CCN(C)c1ccc([C@@H](C)N[C@@H](C)C(=O)NCC(F)(F)F)cc1 ZINC001337294675 1331558633 /nfs/dbraw/zinc/55/86/33/1331558633.db2.gz ROJIBSUGJAFIDH-NEPJUHHUSA-N 0 3 331.382 2.860 20 10 EFCDHN C[C@@H]1[C@@H](NC(=O)NCc2ccc(N)cc2)CCN1Cc1ccccc1 ZINC001338608288 1331719413 /nfs/dbraw/zinc/71/94/13/1331719413.db2.gz PKZLKJGPMAXYDZ-BEFAXECRSA-N 0 3 338.455 2.731 20 10 EFCDHN CN(C)CCN(Cc1ccccc1F)C(=O)NCc1ccc(N)cc1 ZINC001338799300 1331738810 /nfs/dbraw/zinc/73/88/10/1331738810.db2.gz PHYLKUJSGPBSDX-UHFFFAOYSA-N 0 3 344.434 2.681 20 10 EFCDHN CCCN1CCC(N(C)c2nnc(C3SC=CC3=O)n2C)CC1 ZINC001339573111 1331902484 /nfs/dbraw/zinc/90/24/84/1331902484.db2.gz MFWJTJLUBJEWNZ-UHFFFAOYSA-N 0 3 335.477 2.560 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=O)c2ccc(F)c(N)c2)N(C)C)cc1 ZINC001345646374 1332555418 /nfs/dbraw/zinc/55/54/18/1332555418.db2.gz LOXQXKGDYSPAOM-GOSISDBHSA-N 0 3 344.434 2.507 20 10 EFCDHN C[C@@H](NC(=O)NCc1ccc(N)cc1)[C@H](c1ccccc1)N(C)C ZINC001346440865 1332641165 /nfs/dbraw/zinc/64/11/65/1332641165.db2.gz LPDUMMSOVBHSAX-RDTXWAMCSA-N 0 3 326.444 2.759 20 10 EFCDHN [O-]c1ccccc1C[NH+]1CCC(NC(=S)NCc2ccco2)CC1 ZINC001200575592 1334134390 /nfs/dbraw/zinc/13/43/90/1334134390.db2.gz HTIPUGOMYCQEJW-UHFFFAOYSA-N 0 3 345.468 2.614 20 10 EFCDHN CN(C)c1ccc(CN[C@@H]2CCc3ccccc3NC2=O)cc1F ZINC000848561256 1334795175 /nfs/dbraw/zinc/79/51/75/1334795175.db2.gz SSCLHHVDWUMRQW-QGZVFWFLSA-N 0 3 327.403 2.935 20 10 EFCDHN c1cc(N2CCCCC2)ccc1CNCc1n[nH]c([C@H]2CCCO2)n1 ZINC000848561755 1334796286 /nfs/dbraw/zinc/79/62/86/1334796286.db2.gz CXBFWCPMGLMKAP-QGZVFWFLSA-N 0 3 341.459 2.936 20 10 EFCDHN CCN(CC)c1ccc(CNCc2n[nH]c([C@H]3CCCO3)n2)cc1 ZINC000848562466 1334796369 /nfs/dbraw/zinc/79/63/69/1334796369.db2.gz KFJUZJGDUVVXRY-MRXNPFEDSA-N 0 3 329.448 2.792 20 10 EFCDHN CC[C@H](C)C[C@@H](N)C(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC001357391061 1335306223 /nfs/dbraw/zinc/30/62/23/1335306223.db2.gz DVHFWSOJTBMWMW-KBXCAEBGSA-N 0 3 333.476 2.544 20 10 EFCDHN COC(=O)CCN(Cc1ccncc1)Cc1cc(OC)c(C)cc1O ZINC000160385421 714057138 /nfs/dbraw/zinc/05/71/38/714057138.db2.gz MGQTWVXNDYEBOQ-UHFFFAOYSA-N 0 3 344.411 2.670 20 10 EFCDHN Cc1cc(F)ncc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891245234 714131394 /nfs/dbraw/zinc/13/13/94/714131394.db2.gz ARYYPXIAUCOYDS-QGZVFWFLSA-N 0 3 344.434 2.628 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CCCCS2)N(C)C)cc1 ZINC000891246710 714132571 /nfs/dbraw/zinc/13/25/71/714132571.db2.gz CFTNXFNJLSGVFH-IRXDYDNUSA-N 0 3 335.517 2.757 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2C[C@H]2C2CCC2)N(C)C)cc1 ZINC000891246837 714133101 /nfs/dbraw/zinc/13/31/01/714133101.db2.gz QDGSVQRZVOWANT-IPMKNSEASA-N 0 3 329.488 2.908 20 10 EFCDHN C[C@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)C(C)(F)F ZINC000891246293 714133280 /nfs/dbraw/zinc/13/32/80/714133280.db2.gz BXJYHBKTOFAERV-DOMZBBRYSA-N 0 3 327.419 2.763 20 10 EFCDHN Cc1cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)ccc1O ZINC000891246392 714133630 /nfs/dbraw/zinc/13/36/30/714133630.db2.gz BZCVZDXPCQCADC-GOSISDBHSA-N 0 3 341.455 2.799 20 10 EFCDHN CO[C@@H]1CCC[C@H](C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC000891247099 714134734 /nfs/dbraw/zinc/13/47/34/714134734.db2.gz HJYJGOBXDCJRLK-QXAKKESOSA-N 0 3 347.503 2.677 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)C2(C)CC(F)(F)C2)N(C)C)cc1 ZINC000891248553 714136035 /nfs/dbraw/zinc/13/60/35/714136035.db2.gz YLVDMSBJOKOWLD-HNNXBMFYSA-N 0 3 339.430 2.907 20 10 EFCDHN CSC1(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)CCC1 ZINC000891248664 714136884 /nfs/dbraw/zinc/13/68/84/714136884.db2.gz MOBPXBJRDZUPLQ-MRXNPFEDSA-N 0 3 335.517 2.757 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=O)c2ocnc2C2CC2)N(C)C)cc1 ZINC000891249934 714139335 /nfs/dbraw/zinc/13/93/35/714139335.db2.gz UOAITPBJYBSBQH-MRXNPFEDSA-N 0 3 342.443 2.651 20 10 EFCDHN Cc1coc(C)c1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891249866 714139416 /nfs/dbraw/zinc/13/94/16/714139416.db2.gz UEMALSAYVUBUDW-QGZVFWFLSA-N 0 3 329.444 2.995 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CCC(F)(F)C2)N(C)C)cc1 ZINC000891249780 714139422 /nfs/dbraw/zinc/13/94/22/714139422.db2.gz WPVJFVJACLZZPO-ZBFHGGJFSA-N 0 3 339.430 2.907 20 10 EFCDHN CC[C@H](C)[C@@H](OC)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891248804 714139704 /nfs/dbraw/zinc/13/97/04/714139704.db2.gz OETSXAMWXHYNEO-JCGIZDLHSA-N 0 3 335.492 2.533 20 10 EFCDHN COc1ccsc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891252671 714145687 /nfs/dbraw/zinc/14/56/87/714145687.db2.gz MBJTWPURKBZIPQ-OAHLLOKOSA-N 0 3 347.484 2.855 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=O)c2ccc(Cl)cn2)N(C)C)cc1 ZINC000891252365 714146842 /nfs/dbraw/zinc/14/68/42/714146842.db2.gz JYNSMLBWZKMHQT-QGZVFWFLSA-N 0 3 346.862 2.834 20 10 EFCDHN CCCCO[C@@H](C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891254717 714148460 /nfs/dbraw/zinc/14/84/60/714148460.db2.gz IQIJAQPXHUXNRY-MAUKXSAKSA-N 0 3 335.492 2.677 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=O)/C=C/c2cccnc2)N(C)C)cc1 ZINC000891255921 714150238 /nfs/dbraw/zinc/15/02/38/714150238.db2.gz SRCJLATVESBJFE-LKQLOZHYSA-N 0 3 338.455 2.580 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=O)/C=C/c2ccco2)N(C)C)cc1 ZINC000891258113 714152327 /nfs/dbraw/zinc/15/23/27/714152327.db2.gz NREUJMIXAISXTF-IENJSVCTSA-N 0 3 327.428 2.778 20 10 EFCDHN C[C@H](NCC(=O)Nc1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000160784645 714477009 /nfs/dbraw/zinc/47/70/09/714477009.db2.gz LDSCGDJFQXYBJC-INIZCTEOSA-N 0 3 339.439 2.813 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=O)NCc2cccs2)N(C)C)cc1 ZINC000022418339 714585376 /nfs/dbraw/zinc/58/53/76/714585376.db2.gz PIFQWMDHUVOSPA-QGZVFWFLSA-N 0 3 346.500 2.916 20 10 EFCDHN CN(C(=O)NCc1ccc(N2CCCC2)cc1)[C@@H]1CCCN(C)C1 ZINC000891999389 715215678 /nfs/dbraw/zinc/21/56/78/715215678.db2.gz CBTQZFWJUGDDOL-GOSISDBHSA-N 0 3 330.476 2.522 20 10 EFCDHN CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000310532424 717847492 /nfs/dbraw/zinc/84/74/92/717847492.db2.gz ZQRFLJRFAQMXCC-QDEZUTFSSA-N 0 3 330.428 2.834 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=O)c2ccccc2F)N(C)C)cc1 ZINC000005097716 718057806 /nfs/dbraw/zinc/05/78/06/718057806.db2.gz MTDFPGNLVGCXNL-GOSISDBHSA-N 0 3 329.419 2.924 20 10 EFCDHN CS[C@H]1CCCCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000179112277 724552247 /nfs/dbraw/zinc/55/22/47/724552247.db2.gz SHOLWXPXNTVXFY-SFHVURJKSA-N 0 3 349.544 2.929 20 10 EFCDHN CS[C@@H]1CCCCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000179112293 724552672 /nfs/dbraw/zinc/55/26/72/724552672.db2.gz SHOLWXPXNTVXFY-GOSISDBHSA-N 0 3 349.544 2.929 20 10 EFCDHN CN(C)[C@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)c1ccccc1 ZINC000180591767 719952359 /nfs/dbraw/zinc/95/23/59/719952359.db2.gz OJCSDLVXKQRPST-PXUDHTSWSA-N 0 3 326.396 2.530 20 10 EFCDHN COc1ccc(O)c([C@H](C)NCC(=O)NCc2ccc(C)c(F)c2)c1 ZINC000182425710 720129113 /nfs/dbraw/zinc/12/91/13/720129113.db2.gz YPNDNXXKCZMRFX-ZDUSSCGKSA-N 0 3 346.402 2.815 20 10 EFCDHN CC[NH+](CC)CCO[C@@H]1CCN(Cc2cc(F)cc(F)c2[O-])C1 ZINC000894070552 720266155 /nfs/dbraw/zinc/26/61/55/720266155.db2.gz CPUCHKUSUFOMON-OAHLLOKOSA-N 0 3 328.403 2.603 20 10 EFCDHN COc1cc(C)cc(CN[C@@H]2CCN(Cc3ccccc3)C2=O)c1O ZINC000894212147 721261663 /nfs/dbraw/zinc/26/16/63/721261663.db2.gz YTHUGWIJNWMNHO-QGZVFWFLSA-N 0 3 340.423 2.600 20 10 EFCDHN COc1cc(C)cc(CN[C@H]2CCN(c3ccc(C)cc3)C2=O)c1O ZINC000894268709 721822690 /nfs/dbraw/zinc/82/26/90/721822690.db2.gz LZXWSDLVWRGSAP-KRWDZBQOSA-N 0 3 340.423 2.913 20 10 EFCDHN CCCNC(=O)CCNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000917643004 728769390 /nfs/dbraw/zinc/76/93/90/728769390.db2.gz MDJOFPAFNGCURT-UHFFFAOYSA-N 0 3 348.447 2.591 20 10 EFCDHN COc1ccc(CN2C[C@H](O)C[C@@H]2c2ccccc2)c(O)c1OC ZINC000894899880 723018280 /nfs/dbraw/zinc/01/82/80/723018280.db2.gz BWEJAMCLDXRPFU-HZPDHXFCSA-N 0 3 329.396 2.717 20 10 EFCDHN CN(C)c1ccc(CN2CC[C@@H](C3OCCO3)C2)c(C(F)(F)F)c1 ZINC000896380843 723286141 /nfs/dbraw/zinc/28/61/41/723286141.db2.gz LYVUEAVTIRZIEB-CYBMUJFWSA-N 0 3 344.377 2.966 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)NC[C@@H]2C=CCC2)N(C)C)cc1 ZINC000896418342 723294035 /nfs/dbraw/zinc/29/40/35/723294035.db2.gz MLJXBNFYNWWKAQ-QAPCUYQASA-N 0 3 330.476 2.621 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=O)NC[C@@H]2C=CCC2)N(C)C)cc1 ZINC000896418340 723294042 /nfs/dbraw/zinc/29/40/42/723294042.db2.gz MLJXBNFYNWWKAQ-CRAIPNDOSA-N 0 3 330.476 2.621 20 10 EFCDHN COc1cc(Br)cc(CN2CCCCC[C@@H]2CO)c1O ZINC000895150728 723469450 /nfs/dbraw/zinc/46/94/50/723469450.db2.gz BYTKWSSSPMFBQO-CYBMUJFWSA-N 0 3 344.249 2.900 20 10 EFCDHN COc1cc(Cl)cc(CN2CCC3(CCNC(=O)O3)CC2)c1O ZINC000897014623 723945454 /nfs/dbraw/zinc/94/54/54/723945454.db2.gz XNFBFDXLDZKOCK-UHFFFAOYSA-N 0 3 340.807 2.519 20 10 EFCDHN COc1cc(Br)cc(C[N@H+](C)[C@@H]2CCCC[C@H]2O)c1[O-] ZINC000895436241 724133177 /nfs/dbraw/zinc/13/31/77/724133177.db2.gz AHDUKRJOZDTEPK-CHWSQXEVSA-N 0 3 344.249 2.899 20 10 EFCDHN COc1cc(Br)cc(C[N@@H+](C)[C@@H]2CCCC[C@H]2O)c1[O-] ZINC000895436241 724133180 /nfs/dbraw/zinc/13/31/80/724133180.db2.gz AHDUKRJOZDTEPK-CHWSQXEVSA-N 0 3 344.249 2.899 20 10 EFCDHN CCN(CC)c1ccc(CN2C[C@@H]3CN(C(C)=O)C[C@@H]3C2)cc1F ZINC000895575800 724201110 /nfs/dbraw/zinc/20/11/10/724201110.db2.gz JRLPNNVTZWSOBP-CALCHBBNSA-N 0 3 333.451 2.582 20 10 EFCDHN CCO/C=C/[C@](O)(CNCc1ccc(N(C)C)cc1)C(F)(F)F ZINC000895710421 724269972 /nfs/dbraw/zinc/26/99/72/724269972.db2.gz VFGNZCANAVQCCW-FEAKQIBJSA-N 0 3 332.366 2.686 20 10 EFCDHN CCOc1cccc(CN(CCO)Cc2ccc(OC)cc2)c1O ZINC000895710075 724280150 /nfs/dbraw/zinc/28/01/50/724280150.db2.gz FVBFRADLSYBNPP-UHFFFAOYSA-N 0 3 331.412 2.794 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=O)NCCC(C)(C)F)N(C)C)cc1 ZINC000895774367 724307727 /nfs/dbraw/zinc/30/77/27/724307727.db2.gz FBEQNTWRONXBDN-MRXNPFEDSA-N 0 3 338.471 2.793 20 10 EFCDHN COCCN(C)CCNC(=O)c1cc(C)ccc1-n1c(C)ccc1C ZINC000303378910 724377673 /nfs/dbraw/zinc/37/76/73/724377673.db2.gz LCZDBUOADSIOHI-UHFFFAOYSA-N 0 3 343.471 2.711 20 10 EFCDHN CON(C)C(=O)[C@H](CCSC)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000090462914 725985908 /nfs/dbraw/zinc/98/59/08/725985908.db2.gz KUJLHEKYPOGNMS-BBRMVZONSA-N 0 3 339.505 2.545 20 10 EFCDHN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cccc(CN(C)C)c1 ZINC000152984608 726354172 /nfs/dbraw/zinc/35/41/72/726354172.db2.gz RTKOLEZFYLODSB-ZDUSSCGKSA-N 0 3 343.427 2.912 20 10 EFCDHN CN(C)c1ccc([C@H](CNc2cc(Cl)nc(=O)[nH]2)N(C)C)cc1 ZINC000897521658 726397838 /nfs/dbraw/zinc/39/78/38/726397838.db2.gz HCAOCBYDQLYCQC-ZDUSSCGKSA-N 0 3 335.839 2.616 20 10 EFCDHN O=C1CCCN1CCCN(Cc1ccco1)Cc1ccccc1O ZINC000731844328 726941533 /nfs/dbraw/zinc/94/15/33/726941533.db2.gz QIRKDCHTFBVVDX-UHFFFAOYSA-N 0 3 328.412 3.000 20 10 EFCDHN O=C(C[N@@H+](Cc1ccccc1[O-])C1CCCC1)NCc1cccnc1 ZINC000732204347 727004527 /nfs/dbraw/zinc/00/45/27/727004527.db2.gz JJTCYIIVULFRJC-UHFFFAOYSA-N 0 3 339.439 2.848 20 10 EFCDHN O=C(C[N@H+](Cc1ccccc1[O-])C1CCCC1)NCc1cccnc1 ZINC000732204347 727004529 /nfs/dbraw/zinc/00/45/29/727004529.db2.gz JJTCYIIVULFRJC-UHFFFAOYSA-N 0 3 339.439 2.848 20 10 EFCDHN CN(Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C[C@H]1CCC[N@H+](C)C1 ZINC000092253548 727326058 /nfs/dbraw/zinc/32/60/58/727326058.db2.gz CVODJMSTNCKHAY-NSHDSACASA-N 0 3 327.812 2.727 20 10 EFCDHN CN(Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C[C@H]1CCC[N@@H+](C)C1 ZINC000092253548 727326060 /nfs/dbraw/zinc/32/60/60/727326060.db2.gz CVODJMSTNCKHAY-NSHDSACASA-N 0 3 327.812 2.727 20 10 EFCDHN [NH3+][C@H]1CCCO[C@@H]1C1CCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000841099545 727973550 /nfs/dbraw/zinc/97/35/50/727973550.db2.gz LLTQIJHQWHTFHN-WMLDXEAASA-N 0 3 342.842 2.903 20 10 EFCDHN COc1ccc(N2CCN(C[C@@H](O)CCc3ccccc3)CC2)cc1 ZINC000182185463 727983334 /nfs/dbraw/zinc/98/33/34/727983334.db2.gz JKWAKFVKFPXKRY-FQEVSTJZSA-N 0 3 340.467 2.811 20 10 EFCDHN COc1ccc(O)c([C@H](C)NCC(=O)NCc2ccccc2F)c1 ZINC000182338765 728092211 /nfs/dbraw/zinc/09/22/11/728092211.db2.gz ZAXFQGREWAUQTG-LBPRGKRZSA-N 0 3 332.375 2.507 20 10 EFCDHN Cc1ccc(C(=O)Nc2cccc(OCCC[NH+](C)C)c2)c([O-])c1O ZINC000182426296 728148065 /nfs/dbraw/zinc/14/80/65/728148065.db2.gz PCCHOJUVZSXFAA-UHFFFAOYSA-N 0 3 344.411 2.989 20 10 EFCDHN COc1ccc(O)c([C@H](C)NCC(=O)Nc2ccc(C#N)cc2)c1 ZINC000182415233 728152383 /nfs/dbraw/zinc/15/23/83/728152383.db2.gz VCJDGVXDJUFRLS-LBPRGKRZSA-N 0 3 325.368 2.562 20 10 EFCDHN C[C@H]([NH2+][C@@H]1CC(=O)N(CCOc2ccccc2)C1)c1ccccc1[O-] ZINC000183612337 728199926 /nfs/dbraw/zinc/19/99/26/728199926.db2.gz LKDUTTSXBARAJD-JKSUJKDBSA-N 0 3 340.423 2.723 20 10 EFCDHN CCN(CC)c1ccc(CNC(=O)[C@@H](N)Cc2ccccc2)cc1F ZINC000167740916 728228170 /nfs/dbraw/zinc/22/81/70/728228170.db2.gz ROZVEIMYGYWHPG-SFHVURJKSA-N 0 3 343.446 2.858 20 10 EFCDHN COCCN(CC(=O)N(C)Cc1ccc(N(C)C)cc1)C1CCCC1 ZINC000919770748 729084393 /nfs/dbraw/zinc/08/43/93/729084393.db2.gz SQFJUYGAGCMAKA-UHFFFAOYSA-N 0 3 347.503 2.602 20 10 EFCDHN CCN(CC)c1ccc(CNC(=S)NC2CCN(C)CC2)cc1 ZINC000920311060 729169851 /nfs/dbraw/zinc/16/98/51/729169851.db2.gz ZILCPBJROWMAKJ-UHFFFAOYSA-N 0 3 334.533 2.591 20 10 EFCDHN CCCN(CC(=O)NCc1ccccc1OC)Cc1ccccc1O ZINC000069009956 729770596 /nfs/dbraw/zinc/77/05/96/729770596.db2.gz JIJIDJNLGMEKBO-UHFFFAOYSA-N 0 3 342.439 2.929 20 10 EFCDHN COc1cc(C)cc(CNc2ccc([C@H]3CNCCO3)cc2)c1O ZINC001579145791 1090526152 /nfs/dbraw/zinc/52/61/52/1090526152.db2.gz XCMXUIFVPOQWDD-GOSISDBHSA-N 0 3 328.412 2.982 20 10 EFCDHN Cc1cc(C(=O)N[C@H]2CCNC[C@H]2F)c(C)n1-c1ccc(F)cc1 ZINC001579563763 1090634571 /nfs/dbraw/zinc/63/45/71/1090634571.db2.gz RUCWXMSFWUXDJS-SJORKVTESA-N 0 3 333.382 2.663 20 10 EFCDHN O=C(c1cccc2c1CCNC2)N1CCOc2c(F)c(F)ccc21 ZINC001580825017 1091021797 /nfs/dbraw/zinc/02/17/97/1091021797.db2.gz QGBFOAGCQCUUSG-UHFFFAOYSA-N 0 3 330.334 2.650 20 10 EFCDHN C/C=C\C[C@H](CO)[NH2+]Cc1cc(Br)cc(OC)c1[O-] ZINC000588489558 1092479253 /nfs/dbraw/zinc/47/92/53/1092479253.db2.gz GLWSMOJKVOLTRY-VSQXVHSFSA-N 0 3 330.222 2.580 20 10 EFCDHN CCc1cccc(C[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)c1O ZINC001590897272 1093623178 /nfs/dbraw/zinc/62/31/78/1093623178.db2.gz ZQJIRGDYHRTSGY-UHFFFAOYSA-N 0 3 327.363 2.564 20 10 EFCDHN COc1cccc(C[NH2+]C(C)(C)c2cccc(-c3nn[n-]n3)c2)c1O ZINC001605318495 1097094535 /nfs/dbraw/zinc/09/45/35/1097094535.db2.gz XHVDGOPMTPAMAA-UHFFFAOYSA-N 0 3 339.399 2.606 20 10 EFCDHN Cc1cc(O)c(C[NH2+][C@@H]2CCc3cc(-c4nn[n-]n4)ccc32)cc1C ZINC001605745014 1097212944 /nfs/dbraw/zinc/21/29/44/1097212944.db2.gz WIMHEPPHLQFHST-QGZVFWFLSA-N 0 3 335.411 2.966 20 10 EFCDHN Cc1cc(O)c(C[NH2+][C@H]2CCc3cc(-c4nn[n-]n4)ccc32)cc1C ZINC001605745013 1097213008 /nfs/dbraw/zinc/21/30/08/1097213008.db2.gz WIMHEPPHLQFHST-KRWDZBQOSA-N 0 3 335.411 2.966 20 10 EFCDHN Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2Cc3ccc(-c4nn[n-]n4)cc3C2)c1 ZINC001605876026 1097262255 /nfs/dbraw/zinc/26/22/55/1097262255.db2.gz ZIZLSOYDRNUITA-BLLLJJGKSA-N 0 3 335.411 2.699 20 10 EFCDHN COc1ccc(O)c(C[NH2+]Cc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC001609358146 1098266135 /nfs/dbraw/zinc/26/61/35/1098266135.db2.gz BYKMJPZTAVSWJG-UHFFFAOYSA-N 0 3 345.790 2.524 20 10 EFCDHN Cc1cc(N(C)C)ccc1C[N@H+](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001609404200 1098293026 /nfs/dbraw/zinc/29/30/26/1098293026.db2.gz IZOLECUZZNSOLB-UHFFFAOYSA-N 0 3 336.443 2.873 20 10 EFCDHN Cc1cc(N(C)C)ccc1C[N@@H+](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001609404200 1098293032 /nfs/dbraw/zinc/29/30/32/1098293032.db2.gz IZOLECUZZNSOLB-UHFFFAOYSA-N 0 3 336.443 2.873 20 10 EFCDHN Cc1cc(N(C)C)ccc1C[N@H+](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001609404200 1098293038 /nfs/dbraw/zinc/29/30/38/1098293038.db2.gz IZOLECUZZNSOLB-UHFFFAOYSA-N 0 3 336.443 2.873 20 10 EFCDHN Cc1cc(N(C)C)ccc1C[N@@H+](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001609404200 1098293045 /nfs/dbraw/zinc/29/30/45/1098293045.db2.gz IZOLECUZZNSOLB-UHFFFAOYSA-N 0 3 336.443 2.873 20 10 EFCDHN COc1cnc(NCc2ccc(N3CCN(C)CC3)cc2)cc1C ZINC001167431087 1101612880 /nfs/dbraw/zinc/61/28/80/1101612880.db2.gz GLINIAWGZFPTIC-UHFFFAOYSA-N 0 3 326.444 2.763 20 10 EFCDHN COc1cc([O-])c(CN2C[C@H](C[NH3+])CC[C@@H]2C)c(Br)c1 ZINC001206810778 1101679426 /nfs/dbraw/zinc/67/94/26/1101679426.db2.gz PLPYOZVFYMDNDH-QWRGUYRKSA-N 0 3 343.265 2.723 20 10 EFCDHN CC[C@H]([NH2+]CC1(N2CCOCC2)CCOCC1)c1ccc(C)cc1[O-] ZINC000840781847 1101680150 /nfs/dbraw/zinc/68/01/50/1101680150.db2.gz XPIWNEMWFRUBCT-SFHVURJKSA-N 0 3 348.487 2.623 20 10 EFCDHN Cc1nc2ccccn2c1CNCc1ccc(N2CCOCC2)cc1 ZINC000898278042 1106301914 /nfs/dbraw/zinc/30/19/14/1106301914.db2.gz APQXDKZXYMUMJE-UHFFFAOYSA-N 0 3 336.439 2.769 20 10 EFCDHN CN(C)c1ccc([C@H](CNCc2cc(F)ncc2F)N(C)C)cc1 ZINC000898449519 1108942982 /nfs/dbraw/zinc/94/29/82/1108942982.db2.gz GYIXKJDWFBVOPO-KRWDZBQOSA-N 0 3 334.414 2.818 20 10 EFCDHN CN(C)c1ccc([C@@H](CNCc2cc(F)ncc2F)N(C)C)cc1 ZINC000898449522 1108943064 /nfs/dbraw/zinc/94/30/64/1108943064.db2.gz GYIXKJDWFBVOPO-QGZVFWFLSA-N 0 3 334.414 2.818 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=O)N2C3CCC2CC3)N(C)C)cc1 ZINC000899103034 1109202726 /nfs/dbraw/zinc/20/27/26/1109202726.db2.gz VGVXGSIGXSLKSD-DAWZGUTISA-N 0 3 330.476 2.692 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=O)N2CCC=C(F)C2)N(C)C)cc1 ZINC000899103933 1109202966 /nfs/dbraw/zinc/20/29/66/1109202966.db2.gz PKVZODNWSAEHRD-QGZVFWFLSA-N 0 3 334.439 2.624 20 10 EFCDHN CC(C)C1CN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC000899105837 1109204554 /nfs/dbraw/zinc/20/45/54/1109204554.db2.gz ZSRJDDGOLQUETN-SFHVURJKSA-N 0 3 332.492 2.653 20 10 EFCDHN CC[C@H]1CCN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC000899100702 1109208011 /nfs/dbraw/zinc/20/80/11/1109208011.db2.gz BUZFNOAXXVZPFN-MAUKXSAKSA-N 0 3 332.492 2.797 20 10 EFCDHN C[C@H](C1CC1)N(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899100837 1109208232 /nfs/dbraw/zinc/20/82/32/1109208232.db2.gz FDABQIXDZQHYSW-KDOFPFPSSA-N 0 3 332.492 2.795 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)NC(C)(C)C2CC2)N(C)C)cc1 ZINC000899100573 1109208315 /nfs/dbraw/zinc/20/83/15/1109208315.db2.gz AOOKDCGIAKUMOF-KRWDZBQOSA-N 0 3 332.492 2.843 20 10 EFCDHN C[C@@H]1CC[C@H](C)N1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899100578 1109208486 /nfs/dbraw/zinc/20/84/86/1109208486.db2.gz ASNNUWVVCHEURZ-DAYGRLMNSA-N 0 3 332.492 2.938 20 10 EFCDHN O=C1N(CCC(F)(F)F)CC[C@@]12CC[N@@H+](Cc1ccccc1[O-])C2 ZINC001272618213 1111752301 /nfs/dbraw/zinc/75/23/01/1111752301.db2.gz CPQQPIXRVMGCET-MRXNPFEDSA-N 0 3 342.361 2.769 20 10 EFCDHN O=C1N(CCC(F)(F)F)CC[C@@]12CC[N@H+](Cc1ccccc1[O-])C2 ZINC001272618213 1111752306 /nfs/dbraw/zinc/75/23/06/1111752306.db2.gz CPQQPIXRVMGCET-MRXNPFEDSA-N 0 3 342.361 2.769 20 10 EFCDHN CC(=O)[C@@H](C)N1CC2(CCC1=O)CC[NH+](Cc1ccccc1[O-])CC2 ZINC001272618437 1111753109 /nfs/dbraw/zinc/75/31/09/1111753109.db2.gz HTKZFAPRFHJPGQ-OAHLLOKOSA-N 0 3 344.455 2.574 20 10 EFCDHN O=C1N(Cc2ccncc2)CC[C@@]12CCC[N@H+]2Cc1ccccc1[O-] ZINC001272618441 1111753139 /nfs/dbraw/zinc/75/31/39/1111753139.db2.gz IATWWHMVJKKSBY-FQEVSTJZSA-N 0 3 337.423 2.554 20 10 EFCDHN O=C1N(Cc2ccncc2)CC[C@@]12CCC[N@@H+]2Cc1ccccc1[O-] ZINC001272618441 1111753144 /nfs/dbraw/zinc/75/31/44/1111753144.db2.gz IATWWHMVJKKSBY-FQEVSTJZSA-N 0 3 337.423 2.554 20 10 EFCDHN COC(C)(C)CN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccccc1[O-] ZINC001272618668 1111753380 /nfs/dbraw/zinc/75/33/80/1111753380.db2.gz MDLOTRDUSQJEFM-FQEVSTJZSA-N 0 3 346.471 2.774 20 10 EFCDHN COC(C)(C)CN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ccccc1[O-] ZINC001272618668 1111753384 /nfs/dbraw/zinc/75/33/84/1111753384.db2.gz MDLOTRDUSQJEFM-FQEVSTJZSA-N 0 3 346.471 2.774 20 10 EFCDHN CC(=O)[C@@H](C)N1CC[C@@]2(CCC[N@H+](Cc3ccccc3[O-])CC2)C1=O ZINC001272619743 1111755885 /nfs/dbraw/zinc/75/58/85/1111755885.db2.gz ZAZWOIRPLFRDGZ-QRWLVFNGSA-N 0 3 344.455 2.574 20 10 EFCDHN CC(=O)[C@@H](C)N1CC[C@@]2(CCC[N@@H+](Cc3ccccc3[O-])CC2)C1=O ZINC001272619743 1111755889 /nfs/dbraw/zinc/75/58/89/1111755889.db2.gz ZAZWOIRPLFRDGZ-QRWLVFNGSA-N 0 3 344.455 2.574 20 10 EFCDHN CC[C@H](C)NC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(OC)cc1[O-])CC2 ZINC001272625611 1111766026 /nfs/dbraw/zinc/76/60/26/1111766026.db2.gz MWCFSEWULKGQBD-YOEHRIQHSA-N 0 3 346.471 2.918 20 10 EFCDHN CCCCN1CC[C@]2(CCCN2Cc2ccc(O)c(C)c2O)C1=O ZINC001272659939 1111945976 /nfs/dbraw/zinc/94/59/76/1111945976.db2.gz HVOMVPSFQQGRPL-LJQANCHMSA-N 0 3 332.444 2.773 20 10 EFCDHN COc1cccc(OCCN2CCN(Cc3ccccc3O)CC2)c1 ZINC000179581888 1112613948 /nfs/dbraw/zinc/61/39/48/1112613948.db2.gz MBSSFURTAYVDCV-UHFFFAOYSA-N 0 3 342.439 2.597 20 10 EFCDHN COc1cc(C[N@H+](C)[C@@H]2CCCOC2)c([O-])cc1Br ZINC001236751628 1117903552 /nfs/dbraw/zinc/90/35/52/1117903552.db2.gz UWFOFKUFGZMCAI-LLVKDONJSA-N 0 3 330.222 2.774 20 10 EFCDHN COc1cc(C[N@@H+](C)[C@@H]2CCCOC2)c([O-])cc1Br ZINC001236751628 1117903553 /nfs/dbraw/zinc/90/35/53/1117903553.db2.gz UWFOFKUFGZMCAI-LLVKDONJSA-N 0 3 330.222 2.774 20 10 EFCDHN COc1ccc(N2CCC(NCc3c(Cl)cnn3C)CC2)cc1 ZINC000131082493 1119143475 /nfs/dbraw/zinc/14/34/75/1119143475.db2.gz AGKMRSDHJSVNCU-UHFFFAOYSA-N 0 3 334.851 2.841 20 10 EFCDHN COCC(=O)Nc1cccc(CNCc2ccc3c(c2)CCCO3)c1 ZINC000921501149 1120685935 /nfs/dbraw/zinc/68/59/35/1120685935.db2.gz JDICINFFVPGWSM-UHFFFAOYSA-N 0 3 340.423 2.886 20 10 EFCDHN CN(C[C@@H]1CCCN(C)C1)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000172135995 529948310 /nfs/dbraw/zinc/94/83/10/529948310.db2.gz PHRAMLVWUZCKCX-GOSISDBHSA-N 0 3 344.503 2.770 20 10 EFCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@H](C)C(=O)NCCF)c1[O-] ZINC000281931246 301070619 /nfs/dbraw/zinc/07/06/19/301070619.db2.gz BACHLFLLRBCFKM-NXEZZACHSA-N 0 3 347.228 2.588 20 10 EFCDHN CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1cc(OC)ccc1[O-] ZINC000190435379 239917277 /nfs/dbraw/zinc/91/72/77/239917277.db2.gz NLBHAXRIPCVTDB-RDJZCZTQSA-N 0 3 331.416 2.627 20 10 EFCDHN COc1ccc(O)c(CN2CCC(Oc3ccc(F)nc3)CC2)c1 ZINC000191678505 240000647 /nfs/dbraw/zinc/00/06/47/240000647.db2.gz QODBOEQOPUDVFI-UHFFFAOYSA-N 0 3 332.375 2.978 20 10 EFCDHN C[C@H](CN1CCN(C)CC1)[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000192842771 240067317 /nfs/dbraw/zinc/06/73/17/240067317.db2.gz NMTLXAGDTDNWKK-VXGBXAGGSA-N 0 3 346.302 2.986 20 10 EFCDHN CC1CC[NH+](C2CCC(NC(=O)c3cccc(O)c3[O-])CC2)CC1 ZINC000193146670 240088083 /nfs/dbraw/zinc/08/80/83/240088083.db2.gz XQWPTJPXIFNDKK-UHFFFAOYSA-N 0 3 332.444 2.871 20 10 EFCDHN CCN(Cc1cc(Br)ccc1[O-])C(=O)CC[C@H](C)[NH3+] ZINC000193284933 240093293 /nfs/dbraw/zinc/09/32/93/240093293.db2.gz QIHVVECRGJCDIW-JTQLQIEISA-N 0 3 329.238 2.631 20 10 EFCDHN COc1ccc([O-])c([C@H](C)[NH2+]CCNC(=O)c2ccc(C)cc2)c1 ZINC000193911896 240130633 /nfs/dbraw/zinc/13/06/33/240130633.db2.gz OFQRCIHMWHKNMG-AWEZNQCLSA-N 0 3 328.412 2.790 20 10 EFCDHN Nc1ccc(CC(=O)NC[C@H]2CCCCN2Cc2ccccc2)cc1 ZINC000237904418 240248602 /nfs/dbraw/zinc/24/86/02/240248602.db2.gz AANFNOGGOFRYRO-HXUWFJFHSA-N 0 3 337.467 2.982 20 10 EFCDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000246358521 240268033 /nfs/dbraw/zinc/26/80/33/240268033.db2.gz PULXXVFDERQMIE-QFBILLFUSA-N 0 3 342.487 2.544 20 10 EFCDHN [O-]c1ccccc1C[N@H+](C[C@H](O)Cc1ccccc1)C[C@H]1CCCO1 ZINC000247591349 240282521 /nfs/dbraw/zinc/28/25/21/240282521.db2.gz NIHWEDKGRSLJJJ-WOJBJXKFSA-N 0 3 341.451 2.977 20 10 EFCDHN [O-]c1ccccc1C[N@@H+](C[C@H](O)Cc1ccccc1)C[C@H]1CCCO1 ZINC000247591349 240282526 /nfs/dbraw/zinc/28/25/26/240282526.db2.gz NIHWEDKGRSLJJJ-WOJBJXKFSA-N 0 3 341.451 2.977 20 10 EFCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CC2(N3CCCC3)CCOCC2)c1 ZINC000273594139 240708526 /nfs/dbraw/zinc/70/85/26/240708526.db2.gz QASZGOHLSWNXTF-OAHLLOKOSA-N 0 3 334.460 2.696 20 10 EFCDHN COc1ccc([O-])c([C@H](C)[NH2+]C2CCN(c3cccnn3)CC2)c1 ZINC000277202038 240775422 /nfs/dbraw/zinc/77/54/22/240775422.db2.gz VTSVTOQNWCBENZ-ZDUSSCGKSA-N 0 3 328.416 2.510 20 10 EFCDHN COc1cc(O)c(CN2CC3(CCC3)[C@@H]2[C@H]2CCCO2)cc1OC ZINC000290913861 241024710 /nfs/dbraw/zinc/02/47/10/241024710.db2.gz NHKBCNCTLBJNOL-QAPCUYQASA-N 0 3 333.428 2.943 20 10 EFCDHN CCCN(Cc1ccccc1O)C(=O)Nc1ccnn1CCN(C)C ZINC000294119599 241034431 /nfs/dbraw/zinc/03/44/31/241034431.db2.gz DYLJTVWXJNXELW-UHFFFAOYSA-N 0 3 345.447 2.594 20 10 EFCDHN CS(=O)(=O)Nc1ccc(C[NH2+][C@@H]2CCc3cccc([O-])c32)cc1 ZINC000295944952 241069835 /nfs/dbraw/zinc/06/98/35/241069835.db2.gz LDOLVNRMOTUUKD-OAHLLOKOSA-N 0 3 332.425 2.541 20 10 EFCDHN CC[C@H]([NH2+]CC1(OCCOC)CCOCC1)c1ccc(C)cc1[O-] ZINC000296546234 241089939 /nfs/dbraw/zinc/08/99/39/241089939.db2.gz REVSSAZAUIVYBT-KRWDZBQOSA-N 0 3 337.460 2.954 20 10 EFCDHN Cc1ccc([O-])c([C@H](C)[NH2+]C2CCC(CS(C)(=O)=O)CC2)c1 ZINC000296631348 241092351 /nfs/dbraw/zinc/09/23/51/241092351.db2.gz BJEYDVFSDFGYBA-NFOMZHRRSA-N 0 3 325.474 2.955 20 10 EFCDHN C[C@@H]1CN(C(=O)NCc2ccc(N(C)C)c(F)c2)CCN(C2CC2)C1 ZINC000297353249 241121058 /nfs/dbraw/zinc/12/10/58/241121058.db2.gz UUUUFSFUVPJDAW-AWEZNQCLSA-N 0 3 348.466 2.517 20 10 EFCDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+]C[C@]1(O)CCOC1 ZINC000294695877 241050181 /nfs/dbraw/zinc/05/01/81/241050181.db2.gz ITSNWSHKMHDNAW-UYAOXDASSA-N 0 3 327.424 2.807 20 10 EFCDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+]C[C@@]1(O)CCOC1 ZINC000294695857 241050483 /nfs/dbraw/zinc/05/04/83/241050483.db2.gz ITSNWSHKMHDNAW-ICSRJNTNSA-N 0 3 327.424 2.807 20 10 EFCDHN O=C(NCc1ccccc1O)NC1CCN(Cc2ccccc2)CC1 ZINC000299471380 241179789 /nfs/dbraw/zinc/17/97/89/241179789.db2.gz GOGQODHUGOHZOB-UHFFFAOYSA-N 0 3 339.439 2.856 20 10 EFCDHN [O-]c1cccc2c1[C@H]([NH2+]CCCc1nnc3n1CCCCC3)CC2 ZINC000297710033 241131417 /nfs/dbraw/zinc/13/14/17/241131417.db2.gz MROSZAOXXUWKRL-OAHLLOKOSA-N 0 3 326.444 2.920 20 10 EFCDHN Cc1cccc(C[NH2+][C@@H]2CC(=O)N([C@H]3C[C@@H]3c3ccccc3)C2)c1[O-] ZINC000362042070 242240395 /nfs/dbraw/zinc/24/03/95/242240395.db2.gz SYZGMLOCHJASPA-QRVBRYPASA-N 0 3 336.435 2.947 20 10 EFCDHN Cc1cccc(CN[C@@H]2CC(=O)N([C@H]3C[C@@H]3c3ccccc3)C2)c1O ZINC000362042070 242240402 /nfs/dbraw/zinc/24/04/02/242240402.db2.gz SYZGMLOCHJASPA-QRVBRYPASA-N 0 3 336.435 2.947 20 10 EFCDHN COC[C@]1(C[NH2+]Cc2cc(F)ccc2[O-])OCCc2ccccc21 ZINC000365659418 242330630 /nfs/dbraw/zinc/33/06/30/242330630.db2.gz MSKUGIWDTKSSIS-IBGZPJMESA-N 0 3 331.387 2.736 20 10 EFCDHN COC[C@H](CCO)NCc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000367225647 242377086 /nfs/dbraw/zinc/37/70/86/242377086.db2.gz UPQHXLSHYXWJFP-FQEVSTJZSA-N 0 3 340.467 2.736 20 10 EFCDHN CC1(C)CN(Cc2ccc(N3CCOCC3)cc2)[C@H]1[C@H]1CCCO1 ZINC000367940015 242397240 /nfs/dbraw/zinc/39/72/40/242397240.db2.gz BJOPYJWCIVZKDK-MOPGFXCFSA-N 0 3 330.472 2.913 20 10 EFCDHN Cc1c2ccccc2n(C)c1CNC(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000425738503 247178621 /nfs/dbraw/zinc/17/86/21/247178621.db2.gz FMMTZMNFNWHFEE-HNAYVOBHSA-N 0 3 340.471 2.722 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=O)COc2ccccc2)N(C)C)cc1 ZINC000005097671 210390416 /nfs/dbraw/zinc/39/04/16/210390416.db2.gz SLGGTDDRUQEIQR-LJQANCHMSA-N 0 3 341.455 2.551 20 10 EFCDHN COCCCN(Cc1ccncc1)Cc1cc(OC)c(OC)cc1O ZINC000160159404 533285046 /nfs/dbraw/zinc/28/50/46/533285046.db2.gz HMSRRKJGSDHLPE-UHFFFAOYSA-N 0 3 346.427 2.843 20 10 EFCDHN COc1cc([N+](=O)[O-])c(N2C[C@@H](N3CCCC3)C[C@@H]2C)cc1OC ZINC000286457489 286248654 /nfs/dbraw/zinc/24/86/54/286248654.db2.gz UQVQZILQUJCSSJ-STQMWFEESA-N 0 3 335.404 2.675 20 10 EFCDHN O=C(c1ccoc1)N1CCC([NH2+][C@@H]2CCc3cccc([O-])c32)CC1 ZINC000296004250 275014754 /nfs/dbraw/zinc/01/47/54/275014754.db2.gz OOARYBSIUMELAV-MRXNPFEDSA-N 0 3 326.396 2.867 20 10 EFCDHN CCN(CC)c1ccc(CN2CCC3(CCN(C)C3=O)CC2)cc1 ZINC000370085346 276120828 /nfs/dbraw/zinc/12/08/28/276120828.db2.gz UZNSDCLFPGYUNK-UHFFFAOYSA-N 0 3 329.488 2.977 20 10 EFCDHN CCCOc1ccc(C[NH2+][C@H](C)C(=O)NCc2ccco2)c([O-])c1 ZINC000111399473 473210561 /nfs/dbraw/zinc/21/05/61/473210561.db2.gz CENSXWDVIJBYPT-CYBMUJFWSA-N 0 3 332.400 2.569 20 10 EFCDHN CCOc1cccc(C[NH2+]CC2(N3CCCCC3)CCOCC2)c1[O-] ZINC000111403731 473211042 /nfs/dbraw/zinc/21/10/42/473211042.db2.gz NDFJHVKUTZTQBX-UHFFFAOYSA-N 0 3 348.487 2.916 20 10 EFCDHN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NC[C@H]1CCCN1C ZINC000139438699 473231911 /nfs/dbraw/zinc/23/19/11/473231911.db2.gz XXRKYQKSEJYPJV-LJQANCHMSA-N 0 3 344.503 2.913 20 10 EFCDHN Cc1cc(O)c(CN(C)CCN2C(=O)c3ccccc3C2=O)cc1C ZINC000095973669 473236218 /nfs/dbraw/zinc/23/62/18/473236218.db2.gz KYFHLMDJKDDCLA-UHFFFAOYSA-N 0 3 338.407 2.737 20 10 EFCDHN COCC[NH+](CCOC)Cc1cc(Br)cc(C)c1[O-] ZINC000124508586 473253828 /nfs/dbraw/zinc/25/38/28/473253828.db2.gz GMXNWEZZKBMBQJ-UHFFFAOYSA-N 0 3 332.238 2.558 20 10 EFCDHN C[C@H]([NH2+]CCCN1CCC(O)CC1)c1cc2c(cc1[O-])CCCC2 ZINC000185116284 473333302 /nfs/dbraw/zinc/33/33/02/473333302.db2.gz NXLDKQILWABFAN-HNNXBMFYSA-N 0 3 332.488 2.768 20 10 EFCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C[C@@]2(N3CCOCC3)CCSC2)c1 ZINC000185140600 473340125 /nfs/dbraw/zinc/34/01/25/473340125.db2.gz HIADCLPWKMNVJM-QAPCUYQASA-N 0 3 336.501 2.559 20 10 EFCDHN Cc1ccc(O)c([C@@H](C)NCc2cccnc2N2CCN(C)CC2)c1 ZINC000185165755 473349972 /nfs/dbraw/zinc/34/99/72/473349972.db2.gz GZKMVULGHKMXRV-MRXNPFEDSA-N 0 3 340.471 2.698 20 10 EFCDHN Cc1ccc(S(=O)(=O)NCC[NH2+][C@H](C)c2cc(C)ccc2[O-])cc1 ZINC000185194887 473358794 /nfs/dbraw/zinc/35/87/94/473358794.db2.gz HMOGHLXUEYVDAK-OAHLLOKOSA-N 0 3 348.468 2.638 20 10 EFCDHN Cc1ccc(S(=O)(=O)NCCN[C@H](C)c2cc(C)ccc2O)cc1 ZINC000185194887 473358800 /nfs/dbraw/zinc/35/88/00/473358800.db2.gz HMOGHLXUEYVDAK-OAHLLOKOSA-N 0 3 348.468 2.638 20 10 EFCDHN COc1cccc(C(=O)NCC[NH2+][C@H](C)c2ccc(C)cc2[O-])c1 ZINC000185201533 473361162 /nfs/dbraw/zinc/36/11/62/473361162.db2.gz QMKAFEMCHWEVNJ-CQSZACIVSA-N 0 3 328.412 2.790 20 10 EFCDHN COc1cccc(C(=O)NCC[NH2+][C@@H](C)c2cc(C)ccc2[O-])c1 ZINC000185201154 473361656 /nfs/dbraw/zinc/36/16/56/473361656.db2.gz CYAPOGZSSUDVQP-AWEZNQCLSA-N 0 3 328.412 2.790 20 10 EFCDHN Cc1ccc([C@@H](C)[NH2+]CCCNC(=O)c2cccc(O)c2)c([O-])c1 ZINC000185303835 473389485 /nfs/dbraw/zinc/38/94/85/473389485.db2.gz LQOASKOOYDNTIT-CQSZACIVSA-N 0 3 328.412 2.877 20 10 EFCDHN CN(CCNC(=O)N(C)Cc1ccccc1O)Cc1ccccc1 ZINC000054764127 472114245 /nfs/dbraw/zinc/11/42/45/472114245.db2.gz MXAMXCYUDZXHBV-UHFFFAOYSA-N 0 3 327.428 2.666 20 10 EFCDHN CN(C)c1ccc(CN(C)C(=O)NC2CCN(C3CC3)CC2)cc1 ZINC000045410505 472405748 /nfs/dbraw/zinc/40/57/48/472405748.db2.gz ONANWRBMETXFRS-UHFFFAOYSA-N 0 3 330.476 2.521 20 10 EFCDHN CC(C)N1CCCN(C(=O)NCc2ccc3c(c2)CCCN3C)CC1 ZINC000069821699 472443652 /nfs/dbraw/zinc/44/36/52/472443652.db2.gz ZDRFLEHTAIEOBZ-UHFFFAOYSA-N 0 3 344.503 2.695 20 10 EFCDHN COc1cccc(CN2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)c1O ZINC000128464123 472454555 /nfs/dbraw/zinc/45/45/55/472454555.db2.gz KTKDLOBIGLLJIC-AWEZNQCLSA-N 0 3 336.432 2.842 20 10 EFCDHN CCN(C)c1ccc([C@@H](C)N[C@@H]2CCN(CC(F)(F)F)C2=O)cc1 ZINC000089619907 472470515 /nfs/dbraw/zinc/47/05/15/472470515.db2.gz XYPITAUUWSUIQB-IUODEOHRSA-N 0 3 343.393 2.957 20 10 EFCDHN CCN1CCN(c2ccc(CN[C@H](C)c3cnccn3)cc2F)CC1 ZINC000155282500 472529250 /nfs/dbraw/zinc/52/92/50/472529250.db2.gz KASAFHFMPONVEU-OAHLLOKOSA-N 0 3 343.450 2.608 20 10 EFCDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000129881533 472571052 /nfs/dbraw/zinc/57/10/52/472571052.db2.gz FPLLZXXWBVFYEF-RDJZCZTQSA-N 0 3 344.503 2.909 20 10 EFCDHN CCCN(Cc1ccccc1O)C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000130716853 472624220 /nfs/dbraw/zinc/62/42/20/472624220.db2.gz HHBTYRNMNCCZNF-HOCLYGCPSA-N 0 3 331.460 2.939 20 10 EFCDHN Cc1cc(Br)cc(CN(C)[C@H](C)C[S@](C)=O)c1O ZINC000130907402 472634673 /nfs/dbraw/zinc/63/46/73/472634673.db2.gz XEQZCMOFEFGVLG-MLCYQJTMSA-N 0 3 334.279 2.662 20 10 EFCDHN C[C@H](N[C@@H]1CCCN(CC(F)(F)F)C1=O)c1ccc(N(C)C)cc1 ZINC000090591772 472640097 /nfs/dbraw/zinc/64/00/97/472640097.db2.gz SUCLGHOFWAJXOE-SWLSCSKDSA-N 0 3 343.393 2.957 20 10 EFCDHN Cc1noc([C@H]2CCCN(Cc3ccc(N4CCOCC4)cc3)C2)n1 ZINC000091832625 472813661 /nfs/dbraw/zinc/81/36/61/472813661.db2.gz XXLDYASKMYPRQV-KRWDZBQOSA-N 0 3 342.443 2.594 20 10 EFCDHN O=C1NCCN1[C@@H]1CCCN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC000092188367 472871204 /nfs/dbraw/zinc/87/12/04/472871204.db2.gz PEQAAMNPDYDJJF-LJQANCHMSA-N 0 3 342.487 2.667 20 10 EFCDHN CCCOc1ccc(C[NH+]2CCC(CN3CCOCC3)CC2)c([O-])c1 ZINC000134117610 472877052 /nfs/dbraw/zinc/87/70/52/472877052.db2.gz SPRKFJJHKVIWBT-UHFFFAOYSA-N 0 3 348.487 2.725 20 10 EFCDHN Cc1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)c(C)n1-c1ccccn1 ZINC000073987333 472917685 /nfs/dbraw/zinc/91/76/85/472917685.db2.gz YENSCEHMIDQINK-SJORKVTESA-N 0 3 338.455 2.798 20 10 EFCDHN CCOc1ccc(O)c(CN(C)C[C@H](O)COCc2ccccc2)c1 ZINC000092472570 472919769 /nfs/dbraw/zinc/91/97/69/472919769.db2.gz ISBCPXIHTHVDIR-SFHVURJKSA-N 0 3 345.439 2.800 20 10 EFCDHN CCOc1ccc([O-])c(C[N@H+](C)C[C@H](O)COCc2ccccc2)c1 ZINC000092472570 472919775 /nfs/dbraw/zinc/91/97/75/472919775.db2.gz ISBCPXIHTHVDIR-SFHVURJKSA-N 0 3 345.439 2.800 20 10 EFCDHN CCOc1ccc([O-])c(C[N@@H+](C)C[C@H](O)COCc2ccccc2)c1 ZINC000092472570 472919782 /nfs/dbraw/zinc/91/97/82/472919782.db2.gz ISBCPXIHTHVDIR-SFHVURJKSA-N 0 3 345.439 2.800 20 10 EFCDHN Cc1cc(O)c(CN(C)[C@@H](C)c2cccc(S(N)(=O)=O)c2)cc1C ZINC000092585517 472940986 /nfs/dbraw/zinc/94/09/86/472940986.db2.gz KWZOMPJAONKMPM-AWEZNQCLSA-N 0 3 348.468 2.849 20 10 EFCDHN CN(Cc1ccc(N2CCOCC2)cc1)C[C@H](O)c1ccc(F)cc1 ZINC000066350629 473079655 /nfs/dbraw/zinc/07/96/55/473079655.db2.gz OYLUYOTUFNQXBP-FQEVSTJZSA-N 0 3 344.430 2.828 20 10 EFCDHN CCOc1cccc(CN(C)[C@@H](CO)c2ccc(OC)cc2)c1O ZINC000093415492 473104462 /nfs/dbraw/zinc/10/44/62/473104462.db2.gz HWPHOEZUNVPAIZ-KRWDZBQOSA-N 0 3 331.412 2.965 20 10 EFCDHN CCCOc1ccc(C[NH+]2CCC3(CC2)[C@H](O)C[C@H]3OCC)c([O-])c1 ZINC000093614095 473125770 /nfs/dbraw/zinc/12/57/70/473125770.db2.gz GWFMTDQIGWKVBV-RTBURBONSA-N 0 3 349.471 2.933 20 10 EFCDHN CCOc1cccc(CN2CCC(N3CCCCC3=O)CC2)c1O ZINC000093741588 473138596 /nfs/dbraw/zinc/13/85/96/473138596.db2.gz PIQOLMGEJQQPST-UHFFFAOYSA-N 0 3 332.444 2.768 20 10 EFCDHN C[C@H](C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-])N1CCN(C)CC1 ZINC000185364524 473407363 /nfs/dbraw/zinc/40/73/63/473407363.db2.gz AIVOLFJFRGBWGR-CVEARBPZSA-N 0 3 327.472 2.832 20 10 EFCDHN COc1cc(OC)cc([C@H](O)C[NH2+][C@H](C)c2cc(F)ccc2[O-])c1 ZINC000185487647 473440146 /nfs/dbraw/zinc/44/01/46/473440146.db2.gz ANKPXDAFYUNUKQ-ADLMAVQZSA-N 0 3 335.375 2.933 20 10 EFCDHN CCOCc1cc(CN[C@@H]2CCN(C(=O)OCC)C2)ccc1OC ZINC000185771077 473509517 /nfs/dbraw/zinc/50/95/17/473509517.db2.gz IBLYMZYLRQNADA-MRXNPFEDSA-N 0 3 336.432 2.552 20 10 EFCDHN CCOCc1cc(CN[C@H]2CCN(C(=O)OCC)C2)ccc1OC ZINC000185771100 473509546 /nfs/dbraw/zinc/50/95/46/473509546.db2.gz IBLYMZYLRQNADA-INIZCTEOSA-N 0 3 336.432 2.552 20 10 EFCDHN COc1ccc(C(=O)NCC[NH2+][C@H](C)c2ccc(C)cc2[O-])cc1 ZINC000185953296 473557419 /nfs/dbraw/zinc/55/74/19/473557419.db2.gz HKNBVLCPXOHOPN-CQSZACIVSA-N 0 3 328.412 2.790 20 10 EFCDHN COc1ccccc1N1CC[C@H]([NH2+][C@H](C)c2cc(F)ccc2[O-])C1=O ZINC000186102342 473591407 /nfs/dbraw/zinc/59/14/07/473591407.db2.gz VDUCJHXEGKRMFF-DOMZBBRYSA-N 0 3 344.386 2.996 20 10 EFCDHN C[C@H]([NH2+]C[C@@H]1COC2(CCOCC2)O1)c1cc2c(cc1[O-])CCCC2 ZINC000186375533 473663245 /nfs/dbraw/zinc/66/32/45/473663245.db2.gz UBZZCGYUKZJZNG-WMLDXEAASA-N 0 3 347.455 2.844 20 10 EFCDHN C[C@@H]([NH2+]C[C@@H]1COC2(CCOCC2)O1)c1cc2c(cc1[O-])CCCC2 ZINC000186375549 473663474 /nfs/dbraw/zinc/66/34/74/473663474.db2.gz UBZZCGYUKZJZNG-RHSMWYFYSA-N 0 3 347.455 2.844 20 10 EFCDHN COc1ccc(O)c(CN2CCC(NC(=O)c3ccccc3)CC2)c1 ZINC000179642445 473702610 /nfs/dbraw/zinc/70/26/10/473702610.db2.gz OCRBPDBUTGBSRE-UHFFFAOYSA-N 0 3 340.423 2.795 20 10 EFCDHN COc1ccc([O-])c(C[NH+]2CCC(CC(=O)N3CCCC3)CC2)c1 ZINC000179782197 473726704 /nfs/dbraw/zinc/72/67/04/473726704.db2.gz WHXUTHUIVFVDJF-UHFFFAOYSA-N 0 3 332.444 2.625 20 10 EFCDHN COc1ccc(O)c(CN2CCC(CC(=O)N3CCCC3)CC2)c1 ZINC000179782197 473726711 /nfs/dbraw/zinc/72/67/11/473726711.db2.gz WHXUTHUIVFVDJF-UHFFFAOYSA-N 0 3 332.444 2.625 20 10 EFCDHN Cc1cccc(CN2CCN(CCCOCC(F)(F)F)CC2)c1O ZINC000179858114 473743987 /nfs/dbraw/zinc/74/39/87/473743987.db2.gz SOQUHQUAWIRXMN-UHFFFAOYSA-N 0 3 346.393 2.787 20 10 EFCDHN C[C@H]([NH2+]CCCN1CCN(C)CC1)c1ccc2ccccc2c1[O-] ZINC000192923900 473747512 /nfs/dbraw/zinc/74/75/12/473747512.db2.gz HCOPOFWLEHOABR-INIZCTEOSA-N 0 3 327.472 2.834 20 10 EFCDHN CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2cc(OC)ccc2[O-])C1 ZINC000179938442 473757934 /nfs/dbraw/zinc/75/79/34/473757934.db2.gz VZXZEBNGMYUZLW-GJZGRUSLSA-N 0 3 334.460 2.918 20 10 EFCDHN CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2cc(OC)ccc2[O-])C1 ZINC000179938442 473757942 /nfs/dbraw/zinc/75/79/42/473757942.db2.gz VZXZEBNGMYUZLW-GJZGRUSLSA-N 0 3 334.460 2.918 20 10 EFCDHN CCN(C)c1ccc([C@H](C)NC[C@@H]2COC3(CCOCC3)O2)cc1 ZINC000179996621 473771955 /nfs/dbraw/zinc/77/19/55/473771955.db2.gz VOUSNGGAHBKDIQ-MAUKXSAKSA-N 0 3 334.460 2.715 20 10 EFCDHN CCCNC(=O)C[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-] ZINC000186934793 473784944 /nfs/dbraw/zinc/78/49/44/473784944.db2.gz MBCSWSWKVOJMEU-SNVBAGLBSA-N 0 3 329.238 2.640 20 10 EFCDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@]2(O)CCSC2)c1[O-] ZINC000187276086 473851519 /nfs/dbraw/zinc/85/15/19/473851519.db2.gz ZZEFTLVTCBILMN-IINYFYTJSA-N 0 3 346.290 2.982 20 10 EFCDHN COc1ccc([O-])c(C[NH+]2CCC(CN3CCCCC3=O)CC2)c1 ZINC000180337804 473855791 /nfs/dbraw/zinc/85/57/91/473855791.db2.gz NRSYKMORYABZLF-UHFFFAOYSA-N 0 3 332.444 2.625 20 10 EFCDHN O=C(CCC[NH2+]Cc1cc(F)ccc1[O-])N1CCc2ccccc21 ZINC000180627908 473924373 /nfs/dbraw/zinc/92/43/73/473924373.db2.gz LDOJOHDNBGMDHZ-UHFFFAOYSA-N 0 3 328.387 2.990 20 10 EFCDHN CC[C@H]([NH2+]CCc1nc(C)n[nH]1)c1cc(Br)ccc1[O-] ZINC000274817009 473971778 /nfs/dbraw/zinc/97/17/78/473971778.db2.gz ZNSQTERIYAHQPD-LBPRGKRZSA-N 0 3 339.237 2.865 20 10 EFCDHN CC[C@H]([NH2+]CCc1n[nH]c(C)n1)c1cc(Br)ccc1[O-] ZINC000274817009 473971781 /nfs/dbraw/zinc/97/17/81/473971781.db2.gz ZNSQTERIYAHQPD-LBPRGKRZSA-N 0 3 339.237 2.865 20 10 EFCDHN CN1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C2(CCCCC2)C1 ZINC000181144435 474009515 /nfs/dbraw/zinc/00/95/15/474009515.db2.gz PYHMSMBQHWJXIT-SOFGYWHQSA-N 0 3 330.428 2.588 20 10 EFCDHN C[C@H](O)CN1CCN(Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000275152309 474086607 /nfs/dbraw/zinc/08/66/07/474086607.db2.gz TUPVORPRAGXVPY-INIZCTEOSA-N 0 3 326.440 2.558 20 10 EFCDHN CCCC[N@H+](CCCN1C(=O)NC(C)(C)C1=O)Cc1ccccc1[O-] ZINC000282512803 474093266 /nfs/dbraw/zinc/09/32/66/474093266.db2.gz SEHGXCNDZHUUMD-UHFFFAOYSA-N 0 3 347.459 2.715 20 10 EFCDHN CCCC[N@@H+](CCCN1C(=O)NC(C)(C)C1=O)Cc1ccccc1[O-] ZINC000282512803 474093272 /nfs/dbraw/zinc/09/32/72/474093272.db2.gz SEHGXCNDZHUUMD-UHFFFAOYSA-N 0 3 347.459 2.715 20 10 EFCDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)COC1CCOCC1 ZINC000282550603 474107281 /nfs/dbraw/zinc/10/72/81/474107281.db2.gz XCUJJXYRWOTRRR-QGZVFWFLSA-N 0 3 337.460 2.551 20 10 EFCDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@@H](O)COC1CCOCC1 ZINC000282550603 474107287 /nfs/dbraw/zinc/10/72/87/474107287.db2.gz XCUJJXYRWOTRRR-QGZVFWFLSA-N 0 3 337.460 2.551 20 10 EFCDHN COc1ccc(O)c([C@@H](C)NCCS(=O)(=O)c2ccccc2)c1 ZINC000182337477 474151854 /nfs/dbraw/zinc/15/18/54/474151854.db2.gz VYDNQFMRUYLEJG-CYBMUJFWSA-N 0 3 335.425 2.525 20 10 EFCDHN Cc1n[nH]c(CC[NH2+][C@H](C)c2cc(Br)cc(C)c2[O-])n1 ZINC000275365259 474159585 /nfs/dbraw/zinc/15/95/85/474159585.db2.gz UMKWROJTCUNAKV-SECBINFHSA-N 0 3 339.237 2.783 20 10 EFCDHN C[C@H](NCc1ccc(N2CCOCC2)cc1)c1cccc(CO)c1 ZINC000270541413 474163757 /nfs/dbraw/zinc/16/37/57/474163757.db2.gz XPIUBGQBECNVKJ-INIZCTEOSA-N 0 3 326.440 2.866 20 10 EFCDHN CN(C)c1ccc(CNC(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)cc1F ZINC000182524402 474195688 /nfs/dbraw/zinc/19/56/88/474195688.db2.gz STWBJCOOGUNONK-WBVHZDCISA-N 0 3 348.466 2.517 20 10 EFCDHN CCN(CC)c1ccc(CN[C@H]2CCO[C@@H]2c2nccn2C)cc1 ZINC000275541886 474228031 /nfs/dbraw/zinc/22/80/31/474228031.db2.gz MTQCMIXZAPUWDR-ROUUACIJSA-N 0 3 328.460 2.886 20 10 EFCDHN C[C@@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1[O-])C(=O)NCCF ZINC000282890797 474233209 /nfs/dbraw/zinc/23/32/09/474233209.db2.gz ZGVXSVNSRWDEMO-CQSZACIVSA-N 0 3 346.402 2.535 20 10 EFCDHN COc1ccc(N(Cc2ccco2)C[C@@H](O)CN(C)C2CC2)cc1F ZINC000289431704 474268290 /nfs/dbraw/zinc/26/82/90/474268290.db2.gz XRTFSIXETIYSMW-INIZCTEOSA-N 0 3 348.418 2.889 20 10 EFCDHN COc1ccc(N(Cc2ccco2)C[C@H](O)CN(C)C2CC2)cc1F ZINC000289431707 474268741 /nfs/dbraw/zinc/26/87/41/474268741.db2.gz XRTFSIXETIYSMW-MRXNPFEDSA-N 0 3 348.418 2.889 20 10 EFCDHN CN(C)CCN(Cc1cccs1)Cc1cc2c(cc1O)OCO2 ZINC000289434987 474268915 /nfs/dbraw/zinc/26/89/15/474268915.db2.gz LHALYUXAIBGAKQ-UHFFFAOYSA-N 0 3 334.441 2.746 20 10 EFCDHN COc1ccc(C[C@@H](CO)C[NH2+]Cc2cc(C)c(C)cc2[O-])cc1O ZINC000289449849 474276818 /nfs/dbraw/zinc/27/68/18/474276818.db2.gz NAJWPAWJYWURFF-MRXNPFEDSA-N 0 3 345.439 2.664 20 10 EFCDHN CN(C)c1ccc(CNCCN2CCCOCC2)c(C(F)(F)F)c1 ZINC000289449953 474276994 /nfs/dbraw/zinc/27/69/94/474276994.db2.gz NBIOULZKNXYTHS-UHFFFAOYSA-N 0 3 345.409 2.583 20 10 EFCDHN CCN(CCC[NH+](CC)CC)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000289517216 474304378 /nfs/dbraw/zinc/30/43/78/474304378.db2.gz VDEVZWSCOPZIQD-UHFFFAOYSA-N 0 3 339.436 2.863 20 10 EFCDHN CCN(CC)CCC[N@H+](CC)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000289517216 474304385 /nfs/dbraw/zinc/30/43/85/474304385.db2.gz VDEVZWSCOPZIQD-UHFFFAOYSA-N 0 3 339.436 2.863 20 10 EFCDHN CCN(CC)CCC[N@@H+](CC)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000289517216 474304392 /nfs/dbraw/zinc/30/43/92/474304392.db2.gz VDEVZWSCOPZIQD-UHFFFAOYSA-N 0 3 339.436 2.863 20 10 EFCDHN CNC(=O)CC[N@H+](C)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000183041936 474311350 /nfs/dbraw/zinc/31/13/50/474311350.db2.gz TWEQCAGXGJIKEB-UHFFFAOYSA-N 0 3 328.412 2.539 20 10 EFCDHN CNC(=O)CC[N@@H+](C)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000183041936 474311356 /nfs/dbraw/zinc/31/13/56/474311356.db2.gz TWEQCAGXGJIKEB-UHFFFAOYSA-N 0 3 328.412 2.539 20 10 EFCDHN Cc1ccc([O-])c(C[NH2+][C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)c1 ZINC000265780833 474334348 /nfs/dbraw/zinc/33/43/48/474334348.db2.gz OHEFUVQFNRLJCE-AZUAARDMSA-N 0 3 340.467 2.673 20 10 EFCDHN COCC[C@](C)(O)C[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000183156166 474341060 /nfs/dbraw/zinc/34/10/60/474341060.db2.gz YPNJVBUCNFHYRK-FQEVSTJZSA-N 0 3 345.439 2.848 20 10 EFCDHN COCCOCc1ccc(C[NH2+]Cc2cc(OC)ccc2[O-])cc1 ZINC000289625723 474351646 /nfs/dbraw/zinc/35/16/46/474351646.db2.gz FYSLLSKDCKWVLE-UHFFFAOYSA-N 0 3 331.412 2.854 20 10 EFCDHN COCCOCc1ccc(CNCc2cc(OC)ccc2O)cc1 ZINC000289625723 474351652 /nfs/dbraw/zinc/35/16/52/474351652.db2.gz FYSLLSKDCKWVLE-UHFFFAOYSA-N 0 3 331.412 2.854 20 10 EFCDHN CC[C@H]([NH2+][C@H]1CCCN(CC(F)(F)F)C1=O)c1ccccc1[O-] ZINC000183342151 474373920 /nfs/dbraw/zinc/37/39/20/474373920.db2.gz JXMITYHHLFOCKU-STQMWFEESA-N 0 3 330.350 2.986 20 10 EFCDHN CC[C@H]([NH2+][C@@H]1CCCN(CC(F)(F)F)C1=O)c1ccccc1[O-] ZINC000183342123 474374047 /nfs/dbraw/zinc/37/40/47/474374047.db2.gz JXMITYHHLFOCKU-QWHCGFSZSA-N 0 3 330.350 2.986 20 10 EFCDHN C[C@H]([NH2+]Cc1ccc(N2CCO[C@@H](C)C2)nc1)c1ccccc1[O-] ZINC000183421653 474377695 /nfs/dbraw/zinc/37/76/95/474377695.db2.gz FSZZZVNDMXACII-GJZGRUSLSA-N 0 3 327.428 2.863 20 10 EFCDHN C[C@@H]([NH2+][C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO)c1ccccc1[O-] ZINC000183523545 474388321 /nfs/dbraw/zinc/38/83/21/474388321.db2.gz PWJZESALXKBREP-YVWKXTFCSA-N 0 3 340.467 2.926 20 10 EFCDHN C[C@H]([NH2+]CCCN1C(=O)COc2ccccc21)c1ccccc1[O-] ZINC000183612624 474399628 /nfs/dbraw/zinc/39/96/28/474399628.db2.gz SSXINFWGXWIASO-AWEZNQCLSA-N 0 3 326.396 2.859 20 10 EFCDHN COc1ccc(N2CCN(CCNCc3occc3C)CC2)cc1 ZINC000266211348 474424357 /nfs/dbraw/zinc/42/43/57/474424357.db2.gz OEOUPRUCFMPENF-UHFFFAOYSA-N 0 3 329.444 2.508 20 10 EFCDHN C[C@@H](O)CN1CCN(Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000276293034 474485460 /nfs/dbraw/zinc/48/54/60/474485460.db2.gz TUPVORPRAGXVPY-MRXNPFEDSA-N 0 3 326.440 2.558 20 10 EFCDHN Nc1ccc(CC(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)cc1 ZINC000237903532 474499235 /nfs/dbraw/zinc/49/92/35/474499235.db2.gz CEJSXBBEXHPMCM-INIZCTEOSA-N 0 3 343.496 2.901 20 10 EFCDHN CN(C)C1(CN(C)C(=O)NCc2ccc(N3CC=CC3)cc2)CCC1 ZINC000189903787 474502128 /nfs/dbraw/zinc/50/21/28/474502128.db2.gz MEFCMJIEKHDQFD-UHFFFAOYSA-N 0 3 342.487 2.689 20 10 EFCDHN CCN(CC)c1ccc(CNC[C@H]2CCCS(=O)(=O)C2)cc1F ZINC000289959326 474504185 /nfs/dbraw/zinc/50/41/85/474504185.db2.gz CIAAEAOEDOBQQY-OAHLLOKOSA-N 0 3 342.480 2.586 20 10 EFCDHN [O-]c1ccc(F)cc1C[NH2+]CCCn1cc(Br)cn1 ZINC000290235589 474563478 /nfs/dbraw/zinc/56/34/78/474563478.db2.gz UDKOIARXHRSNQJ-UHFFFAOYSA-N 0 3 328.185 2.670 20 10 EFCDHN CS(=O)(=O)CC1(C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000267046911 474573838 /nfs/dbraw/zinc/57/38/38/474573838.db2.gz DQJOWEOPAZGUPO-UHFFFAOYSA-N 0 3 345.464 2.974 20 10 EFCDHN C[N@H+](Cc1cc(F)ccc1[O-])C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000190321945 474579337 /nfs/dbraw/zinc/57/93/37/474579337.db2.gz IXKGTZMOIMCTEM-FQEVSTJZSA-N 0 3 344.430 2.600 20 10 EFCDHN C[N@@H+](Cc1cc(F)ccc1[O-])C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000190321945 474579340 /nfs/dbraw/zinc/57/93/40/474579340.db2.gz IXKGTZMOIMCTEM-FQEVSTJZSA-N 0 3 344.430 2.600 20 10 EFCDHN COc1ccc(O)c(CN(Cc2ccc(C(N)=O)cc2)C2CC2)c1 ZINC000271694007 474586305 /nfs/dbraw/zinc/58/63/05/474586305.db2.gz AKAVGKHUJYXVAI-UHFFFAOYSA-N 0 3 326.396 2.664 20 10 EFCDHN CCCOc1ccc(C[NH2+]C2CCN(c3cccnn3)CC2)c([O-])c1 ZINC000277788007 474594868 /nfs/dbraw/zinc/59/48/68/474594868.db2.gz ZTQKVFZJXRUPDO-UHFFFAOYSA-N 0 3 342.443 2.730 20 10 EFCDHN CCOc1cccc(CN[C@@H]2CC(=O)N(c3ccccc3F)C2)c1O ZINC000291166945 474595788 /nfs/dbraw/zinc/59/57/88/474595788.db2.gz DDZVUNGWCTZZBY-CQSZACIVSA-N 0 3 344.386 2.825 20 10 EFCDHN CCCOc1ccc(C[NH2+][C@H]2CCCN(c3ccnn3C)C2)c([O-])c1 ZINC000278112462 474601173 /nfs/dbraw/zinc/60/11/73/474601173.db2.gz BOTFRORGMMPWBV-INIZCTEOSA-N 0 3 344.459 2.673 20 10 EFCDHN COc1c([O-])c(C[N@@H+]2CCC[C@H]2CN2CCCCC2)ccc1[N+](=O)[O-] ZINC000278302546 474606491 /nfs/dbraw/zinc/60/64/91/474606491.db2.gz WBTLGFXYVCDGAX-HNNXBMFYSA-N 0 3 349.431 2.759 20 10 EFCDHN COc1c([O-])c(C[N@H+]2CCC[C@H]2CN2CCCCC2)ccc1[N+](=O)[O-] ZINC000278302546 474606497 /nfs/dbraw/zinc/60/64/97/474606497.db2.gz WBTLGFXYVCDGAX-HNNXBMFYSA-N 0 3 349.431 2.759 20 10 EFCDHN CN1CC[C@H]2CCN(C(=O)NCc3ccc(N4CCCC4)cc3)[C@H]2C1 ZINC000272473882 474612915 /nfs/dbraw/zinc/61/29/15/474612915.db2.gz QOAICCMRXPWCBN-HKUYNNGSSA-N 0 3 342.487 2.522 20 10 EFCDHN Cc1cc(C(=O)N[C@H](C)C2=CCN(C)CC2)c(C)n1-c1ccccn1 ZINC000272751532 474624793 /nfs/dbraw/zinc/62/47/93/474624793.db2.gz OHTKAYAOLUHAHG-OAHLLOKOSA-N 0 3 338.455 2.869 20 10 EFCDHN CCO[C@@H]1C[C@H](O)C12CCN(Cc1ccc(N(C)C)c(C)c1)CC2 ZINC000293026990 474773036 /nfs/dbraw/zinc/77/30/36/474773036.db2.gz IRLFWMORFQRUMR-RBUKOAKNSA-N 0 3 332.488 2.813 20 10 EFCDHN C[C@@H]([NH2+]Cc1ccc(NS(C)(=O)=O)cc1)c1cc(F)ccc1[O-] ZINC000273362405 474859995 /nfs/dbraw/zinc/85/99/95/474859995.db2.gz DDQXLVDAZBKBKC-LLVKDONJSA-N 0 3 338.404 2.754 20 10 EFCDHN COc1c([O-])c(CNCC[NH+](C(C)C)C(C)C)ccc1[N+](=O)[O-] ZINC000278833487 474860886 /nfs/dbraw/zinc/86/08/86/474860886.db2.gz IXASACIREJCZIO-UHFFFAOYSA-N 0 3 325.409 2.517 20 10 EFCDHN CNS(=O)(=O)c1cccc(CN[C@H](C)c2ccc(C)c(C)c2O)c1 ZINC000273384139 474871573 /nfs/dbraw/zinc/87/15/73/474871573.db2.gz JAYZHRSGKOALCJ-CQSZACIVSA-N 0 3 348.468 2.768 20 10 EFCDHN COCCOc1ncccc1CN[C@H](C)c1cc(OC)ccc1O ZINC000273430272 474893542 /nfs/dbraw/zinc/89/35/42/474893542.db2.gz VJNYFRDACXRPQA-CYBMUJFWSA-N 0 3 332.400 2.672 20 10 EFCDHN COCCOc1ncccc1CN[C@@H](C)c1cc(OC)ccc1O ZINC000273430277 474893895 /nfs/dbraw/zinc/89/38/95/474893895.db2.gz VJNYFRDACXRPQA-ZDUSSCGKSA-N 0 3 332.400 2.672 20 10 EFCDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@]2(O)CCO[C@H]2C)c1[O-] ZINC000278910557 474908842 /nfs/dbraw/zinc/90/88/42/474908842.db2.gz VRWLJMQTKNGSNR-PGUXBMHVSA-N 0 3 344.249 2.654 20 10 EFCDHN COc1c([O-])c(C[NH2+]C[C@@H](C)CN2CCCCC2)ccc1[N+](=O)[O-] ZINC000278926313 474919840 /nfs/dbraw/zinc/91/98/40/474919840.db2.gz VOMYBBNXOAMGRM-CYBMUJFWSA-N 0 3 337.420 2.521 20 10 EFCDHN COc1c([O-])c(CNC[C@@H](C)C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000278926313 474919847 /nfs/dbraw/zinc/91/98/47/474919847.db2.gz VOMYBBNXOAMGRM-CYBMUJFWSA-N 0 3 337.420 2.521 20 10 EFCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCCN(Cc3ccccn3)C2=O)c1 ZINC000273480506 474922593 /nfs/dbraw/zinc/92/25/93/474922593.db2.gz UKNCUMJANNIFRR-YJBOKZPZSA-N 0 3 339.439 2.937 20 10 EFCDHN Cc1ccc(O)c([C@H](C)N[C@H]2CCCN(Cc3ccccn3)C2=O)c1 ZINC000273480506 474922599 /nfs/dbraw/zinc/92/25/99/474922599.db2.gz UKNCUMJANNIFRR-YJBOKZPZSA-N 0 3 339.439 2.937 20 10 EFCDHN C[C@@H]1OCC[C@]1(O)C[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000279161994 474962208 /nfs/dbraw/zinc/96/22/08/474962208.db2.gz AWGIWYQONJGJMD-YWZLYKJASA-N 0 3 343.423 2.601 20 10 EFCDHN CCN1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2ccc(C)c(C)c2[O-])CC1 ZINC000273563861 474965413 /nfs/dbraw/zinc/96/54/13/474965413.db2.gz IXVIIHVLBBVLGH-YJBOKZPZSA-N 0 3 333.520 2.933 20 10 EFCDHN C[C@H](NC(=O)c1cccc(O)c1[O-])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000279789554 474991517 /nfs/dbraw/zinc/99/15/17/474991517.db2.gz IMCVXJLWYRDKKJ-HOCLYGCPSA-N 0 3 340.423 2.738 20 10 EFCDHN C[C@H](NC(=O)c1cccc(O)c1[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000279789554 474991522 /nfs/dbraw/zinc/99/15/22/474991522.db2.gz IMCVXJLWYRDKKJ-HOCLYGCPSA-N 0 3 340.423 2.738 20 10 EFCDHN C[C@@H](CN1CCCC1=O)NCc1ccc(N(C)C)cc1C(F)(F)F ZINC000279792075 474991837 /nfs/dbraw/zinc/99/18/37/474991837.db2.gz CWHIGAXUBJNELA-LBPRGKRZSA-N 0 3 343.393 2.872 20 10 EFCDHN CCCCOC[C@@H](O)C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000279982554 475001934 /nfs/dbraw/zinc/00/19/34/475001934.db2.gz JVBUBPOYGXHWGX-ROUUACIJSA-N 0 3 337.460 2.551 20 10 EFCDHN CCCCOC[C@@H](O)C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000279982554 475001942 /nfs/dbraw/zinc/00/19/42/475001942.db2.gz JVBUBPOYGXHWGX-ROUUACIJSA-N 0 3 337.460 2.551 20 10 EFCDHN CC[C@@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1=O)c1ccc(C)cc1[O-] ZINC000280225025 475014116 /nfs/dbraw/zinc/01/41/16/475014116.db2.gz VAHNQTTZKLFQTR-CHWSQXEVSA-N 0 3 330.350 2.905 20 10 EFCDHN COc1cc(Cl)cc(C[NH+]2CCC(CCC(N)=O)CC2)c1[O-] ZINC000273700841 475017968 /nfs/dbraw/zinc/01/79/68/475017968.db2.gz DDHROMSLCMQKJO-UHFFFAOYSA-N 0 3 326.824 2.532 20 10 EFCDHN CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C)c1ccccc1[O-] ZINC000285533807 475029636 /nfs/dbraw/zinc/02/96/36/475029636.db2.gz CTVDNBXBVWCVCS-YCXXCVGLSA-N 0 3 345.487 2.517 20 10 EFCDHN C[C@@H](NC[C@@H]1CCS(=O)(=O)C1)c1ccc(N2CCCCC2)cc1 ZINC000268749671 475039614 /nfs/dbraw/zinc/03/96/14/475039614.db2.gz IXXPBQSOSCMSCT-CVEARBPZSA-N 0 3 336.501 2.762 20 10 EFCDHN C[C@H](N[C@@H]1CCCc2c1cnn2C)c1ccc(N2CCOCC2)cc1 ZINC000268800303 475041402 /nfs/dbraw/zinc/04/14/02/475041402.db2.gz HJTUGUUYSQBWAF-HNAYVOBHSA-N 0 3 340.471 2.985 20 10 EFCDHN C[C@@H](N[C@H]1CCCc2c1cnn2C)c1ccc(N2CCOCC2)cc1 ZINC000268800298 475042407 /nfs/dbraw/zinc/04/24/07/475042407.db2.gz HJTUGUUYSQBWAF-BEFAXECRSA-N 0 3 340.471 2.985 20 10 EFCDHN C[C@@H](Cn1ccnc1)N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000268816801 475042927 /nfs/dbraw/zinc/04/29/27/475042927.db2.gz MOYSJXYFUVOSQZ-GJZGRUSLSA-N 0 3 332.423 2.598 20 10 EFCDHN CC[C@H]([NH2+]CCCCN1CCN(CC)CC1)c1ccc(F)cc1[O-] ZINC000285850886 475044222 /nfs/dbraw/zinc/04/42/22/475044222.db2.gz XWLDYNYQQXYWCU-SFHVURJKSA-N 0 3 337.483 2.990 20 10 EFCDHN CC[C@@H]([NH2+]Cc1cc(Cl)cc(OC)c1[O-])[C@@H](O)C(F)(F)F ZINC000273761846 475045921 /nfs/dbraw/zinc/04/59/21/475045921.db2.gz PFZWXDHIUZVKBF-BXKDBHETSA-N 0 3 327.730 2.846 20 10 EFCDHN CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H](C)NC1CC1 ZINC000294686798 475079996 /nfs/dbraw/zinc/07/99/96/475079996.db2.gz ACXHEFUZKHJOHT-SNVBAGLBSA-N 0 3 341.249 2.644 20 10 EFCDHN COCCn1c(C)c(C)c2cc(C(=O)N[C@@H](C)CN(C)C)ccc21 ZINC000286942469 475085934 /nfs/dbraw/zinc/08/59/34/475085934.db2.gz KBGVORBPHMBINZ-ZDUSSCGKSA-N 0 3 331.460 2.584 20 10 EFCDHN C[C@H](NC[C@@H]1CN(C)CCN1C)c1ccc(N2CCCCC2)c(F)c1 ZINC000268961081 475097040 /nfs/dbraw/zinc/09/70/40/475097040.db2.gz XISOEQYIGBDJJJ-FUHWJXTLSA-N 0 3 348.510 2.712 20 10 EFCDHN CCOC(=O)c1cc(CNCc2ccc(N(C)C)c(F)c2)[nH]c1C ZINC000294995475 475097125 /nfs/dbraw/zinc/09/71/25/475097125.db2.gz HXXKQOUSFRGLJI-UHFFFAOYSA-N 0 3 333.407 2.995 20 10 EFCDHN Cc1ccc([C@H](C[NH2+][C@H]2CCc3cccc([O-])c32)N2CCOCC2)o1 ZINC000295914908 475134444 /nfs/dbraw/zinc/13/44/44/475134444.db2.gz JKSCPJCYXVLLLZ-IRXDYDNUSA-N 0 3 342.439 2.944 20 10 EFCDHN C[C@@H]([NH2+]CC1(S(C)(=O)=O)CCC1)c1cc2c(cc1[O-])CCCC2 ZINC000281287861 475155010 /nfs/dbraw/zinc/15/50/10/475155010.db2.gz XXJPVUABJLIDBI-CYBMUJFWSA-N 0 3 337.485 2.889 20 10 EFCDHN C[C@@H](NCC1(S(C)(=O)=O)CCC1)c1cc2c(cc1O)CCCC2 ZINC000281287861 475155018 /nfs/dbraw/zinc/15/50/18/475155018.db2.gz XXJPVUABJLIDBI-CYBMUJFWSA-N 0 3 337.485 2.889 20 10 EFCDHN C[N@@H+]1CC[C@@]2(CCN(Cc3cc(Br)ccc3[O-])C2)C1 ZINC000292777175 475193622 /nfs/dbraw/zinc/19/36/22/475193622.db2.gz LALDBUKAAOTCFA-OAHLLOKOSA-N 0 3 325.250 2.682 20 10 EFCDHN C[N@H+]1CC[C@@]2(CCN(Cc3cc(Br)ccc3[O-])C2)C1 ZINC000292777175 475193626 /nfs/dbraw/zinc/19/36/26/475193626.db2.gz LALDBUKAAOTCFA-OAHLLOKOSA-N 0 3 325.250 2.682 20 10 EFCDHN COCCn1c(C)c(C)c2cc(C(=O)N[C@H](C)CN(C)C)ccc21 ZINC000346157216 475566392 /nfs/dbraw/zinc/56/63/92/475566392.db2.gz KBGVORBPHMBINZ-CYBMUJFWSA-N 0 3 331.460 2.584 20 10 EFCDHN CN(C)c1ccc(CNC(=O)N2CC[C@@]3(C2)CCCN(C)C3)cc1F ZINC000297398024 475740453 /nfs/dbraw/zinc/74/04/53/475740453.db2.gz XIMXRSDBWQWZHX-IBGZPJMESA-N 0 3 348.466 2.519 20 10 EFCDHN Cc1ccc([C@H](C)[NH2+]C2CCC(CS(C)(=O)=O)CC2)c([O-])c1 ZINC000297405719 475744261 /nfs/dbraw/zinc/74/42/61/475744261.db2.gz SUNHCEJMBGSQPB-NFOMZHRRSA-N 0 3 325.474 2.955 20 10 EFCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@H](O)COc1ccc(F)c(F)c1)CC2 ZINC000297606314 475827723 /nfs/dbraw/zinc/82/77/23/475827723.db2.gz IICRLJJVIGBNMU-BLLLJJGKSA-N 0 3 335.350 2.687 20 10 EFCDHN Cc1c2ccccc2n(C)c1CNC(=O)NCCN1CCCCC1 ZINC000349142390 475910427 /nfs/dbraw/zinc/91/04/27/475910427.db2.gz NSHBFHJSZUQWJL-UHFFFAOYSA-N 0 3 328.460 2.772 20 10 EFCDHN Cc1c2ccccc2n(C)c1CNC(=O)NC1CCN(C2CC2)CC1 ZINC000349215893 475924030 /nfs/dbraw/zinc/92/40/30/475924030.db2.gz JLOFLUWLHQBISC-UHFFFAOYSA-N 0 3 340.471 2.913 20 10 EFCDHN Cc1c2ccccc2n(C)c1CNC(=O)N[C@H]1CCCN(C)[C@@H]1C ZINC000349895452 476016841 /nfs/dbraw/zinc/01/68/41/476016841.db2.gz PMGUBHHCAZNHAR-ZBFHGGJFSA-N 0 3 328.460 2.769 20 10 EFCDHN Cc1c2ccccc2n(C)c1CNC(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000350034493 476035323 /nfs/dbraw/zinc/03/53/23/476035323.db2.gz QGGMBWOIYVRSNF-INIZCTEOSA-N 0 3 340.471 2.865 20 10 EFCDHN C[C@@H](c1ccccc1)[N@H+](CCC(=O)NC(N)=O)Cc1ccccc1[O-] ZINC000299582488 476143250 /nfs/dbraw/zinc/14/32/50/476143250.db2.gz HTTHZHMOSPVAIQ-AWEZNQCLSA-N 0 3 341.411 2.540 20 10 EFCDHN C[C@@H](c1ccccc1)[N@@H+](CCC(=O)NC(N)=O)Cc1ccccc1[O-] ZINC000299582488 476143257 /nfs/dbraw/zinc/14/32/57/476143257.db2.gz HTTHZHMOSPVAIQ-AWEZNQCLSA-N 0 3 341.411 2.540 20 10 EFCDHN Cc1ccc([C@@H](C)N[C@H]2CCCN(c3ccn(C)n3)C2=O)c(O)c1C ZINC000359878975 476270308 /nfs/dbraw/zinc/27/03/08/476270308.db2.gz YPKDOACRGXVHRC-ZBFHGGJFSA-N 0 3 342.443 2.589 20 10 EFCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCN(c3ccccc3C(N)=O)C2)c([O-])c1 ZINC000373255282 476388922 /nfs/dbraw/zinc/38/89/22/476388922.db2.gz JLMNOHFRZNYDRC-GJZGRUSLSA-N 0 3 339.439 2.729 20 10 EFCDHN c1cc(N2CCOCC2)ccc1CN1CCC[C@H](OCC2CC2)C1 ZINC000373535661 476413140 /nfs/dbraw/zinc/41/31/40/476413140.db2.gz RUMCKZFEIZSFQV-FQEVSTJZSA-N 0 3 330.472 2.914 20 10 EFCDHN COC(=O)[C@@H]1C[N@H+](Cc2cc(OC)ccc2[O-])C[C@H]1c1ccccc1 ZINC000369705541 476486357 /nfs/dbraw/zinc/48/63/57/476486357.db2.gz YZOGSUJAHYRFKQ-ZWKOTPCHSA-N 0 3 341.407 2.789 20 10 EFCDHN COC(=O)[C@@H]1C[N@@H+](Cc2cc(OC)ccc2[O-])C[C@H]1c1ccccc1 ZINC000369705541 476486363 /nfs/dbraw/zinc/48/63/63/476486363.db2.gz YZOGSUJAHYRFKQ-ZWKOTPCHSA-N 0 3 341.407 2.789 20 10 EFCDHN COc1cc(O)c(CN2CCC(c3c[nH]nc3C)CC2)cc1OC ZINC000375272217 476750946 /nfs/dbraw/zinc/75/09/46/476750946.db2.gz LOWOOJLRJBPQFW-UHFFFAOYSA-N 0 3 331.416 2.821 20 10 EFCDHN CCOc1ccc(O)c(CN2CCC[C@@H](N3CCCCC3=O)C2)c1 ZINC000371372860 477272567 /nfs/dbraw/zinc/27/25/67/477272567.db2.gz IIXXTROTLCFOJJ-MRXNPFEDSA-N 0 3 332.444 2.768 20 10 EFCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCCC[C@@H]2N2CCOCC2)c1 ZINC000371834258 477517763 /nfs/dbraw/zinc/51/77/63/477517763.db2.gz IJQBEXLMWOCDKV-WBAXXEDZSA-N 0 3 334.460 2.695 20 10 EFCDHN C[C@H](C(=O)N1CCOc2cc(N(C)C)ccc21)N1[C@H](C)CC[C@H]1C ZINC000413536649 477719456 /nfs/dbraw/zinc/71/94/56/477719456.db2.gz VXWOPQNKSSCNJS-RBSFLKMASA-N 0 3 331.460 2.739 20 10 EFCDHN C[C@H]([NH2+]C[C@@H]1CN2CCC[C@@H]2CO1)c1cc2c(cc1[O-])CCCC2 ZINC000368324740 477798533 /nfs/dbraw/zinc/79/85/33/477798533.db2.gz UDSGKOIAHRKDNX-BMGDILEWSA-N 0 3 330.472 2.785 20 10 EFCDHN C[C@H]([NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)c1cc(Cl)ccc1[O-] ZINC000368328338 477798658 /nfs/dbraw/zinc/79/86/58/477798658.db2.gz OXXABPXTZANBPC-DZGCQCFKSA-N 0 3 337.895 2.865 20 10 EFCDHN CCN1CCC[C@@H](NC(=O)NCc2c(C)c3ccccc3n2C)C1 ZINC000471716796 478009900 /nfs/dbraw/zinc/00/99/00/478009900.db2.gz OJRJRAXESXMFKQ-OAHLLOKOSA-N 0 3 328.460 2.770 20 10 EFCDHN Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000471972035 478012127 /nfs/dbraw/zinc/01/21/27/478012127.db2.gz DNYNESHATNYWJF-DZGCQCFKSA-N 0 3 328.460 2.769 20 10 EFCDHN Cc1c2ccccc2n(C)c1CNC(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000472221151 478013378 /nfs/dbraw/zinc/01/33/78/478013378.db2.gz MLIYUAMEMZNOCG-KXBFYZLASA-N 0 3 340.471 2.722 20 10 EFCDHN Cc1c2ccccc2n(C)c1CNC(=O)NC[C@@H]1CCCN(C)C1 ZINC000526927787 478407436 /nfs/dbraw/zinc/40/74/36/478407436.db2.gz BLNQGXZIRZZMFB-HNNXBMFYSA-N 0 3 328.460 2.628 20 10 EFCDHN Cc1c(/C=C\C(=O)N(CCN2CCCC2)c2ccccc2)cnn1C ZINC000492262472 478899146 /nfs/dbraw/zinc/89/91/46/478899146.db2.gz ILCBOCAHJOQBHP-KHPPLWFESA-N 0 3 338.455 2.871 20 10 EFCDHN COCCc1noc(CC2CC[NH+](Cc3cc(C)ccc3[O-])CC2)n1 ZINC000529639814 479232822 /nfs/dbraw/zinc/23/28/22/479232822.db2.gz LKKCUUUTUWODOD-UHFFFAOYSA-N 0 3 345.443 2.727 20 10 EFCDHN COc1cc(Cl)cc(C[NH2+][C@@]2(CO)COc3ccccc3C2)c1[O-] ZINC000529640945 479233357 /nfs/dbraw/zinc/23/33/57/479233357.db2.gz ADNIVLNWLOSUNP-SFHVURJKSA-N 0 3 349.814 2.510 20 10 EFCDHN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H](N)CC1CCCCC1 ZINC000574880744 479364396 /nfs/dbraw/zinc/36/43/96/479364396.db2.gz QGZJSWNWARQIRT-INIZCTEOSA-N 0 3 331.460 2.776 20 10 EFCDHN C[C@@H]1CN(C(=O)c2cccc3c2CCNC3)c2ccccc2N(C)C1=O ZINC000662630355 481906302 /nfs/dbraw/zinc/90/63/02/481906302.db2.gz CUPLKRBCWQRKEB-CQSZACIVSA-N 0 3 349.434 2.592 20 10 EFCDHN O=C(c1cccc2c1CCNC2)N1CCN(C2CC2)c2ccccc21 ZINC000662794685 481972338 /nfs/dbraw/zinc/97/23/38/481972338.db2.gz PYDMWQMAQXUKOX-UHFFFAOYSA-N 0 3 333.435 2.962 20 10 EFCDHN COC(=O)c1cc(CN(Cc2ccccc2O)C[C@H]2CCCO2)c[nH]1 ZINC000160196246 533784333 /nfs/dbraw/zinc/78/43/33/533784333.db2.gz QHRBAHIDEZIBAC-MRXNPFEDSA-N 0 3 344.411 2.688 20 10 EFCDHN Cc1ccc([O-])c(C[NH2+][C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c1 ZINC000172114576 534199358 /nfs/dbraw/zinc/19/93/58/534199358.db2.gz YUPFBPWACVUZOA-CQSZACIVSA-N 0 3 348.468 2.802 20 10 EFCDHN Cc1ccc(O)c(CN[C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c1 ZINC000172114576 534199363 /nfs/dbraw/zinc/19/93/63/534199363.db2.gz YUPFBPWACVUZOA-CQSZACIVSA-N 0 3 348.468 2.802 20 10 EFCDHN CCN(CC)c1ccc(CNC(C)(C)CCS(C)(=O)=O)cc1 ZINC000174639058 528307702 /nfs/dbraw/zinc/30/77/02/528307702.db2.gz AGBAHEFJNLBJBV-UHFFFAOYSA-N 0 3 326.506 2.836 20 10 EFCDHN CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H](N)C(C)(C)C ZINC000162524359 528764553 /nfs/dbraw/zinc/76/45/53/528764553.db2.gz GNHXPEMIGWIAMR-CYBMUJFWSA-N 0 3 343.265 2.877 20 10 EFCDHN CCC[C@H](N)C(=O)N(CC)Cc1cc(Br)ccc1O ZINC000236792848 535675320 /nfs/dbraw/zinc/67/53/20/535675320.db2.gz CSVGUGVBDIMPNR-LBPRGKRZSA-N 0 3 329.238 2.631 20 10 EFCDHN COc1ccc(-n2c(C)cc(C(=O)N3CCCNCC3)c2C)cc1 ZINC000237504844 536551005 /nfs/dbraw/zinc/55/10/05/536551005.db2.gz ADWXQXSFEVBJQB-UHFFFAOYSA-N 0 3 327.428 2.538 20 10 EFCDHN COC1CCN(c2ccc(CN(C)CCn3cccn3)cc2)CC1 ZINC000297598570 536755427 /nfs/dbraw/zinc/75/54/27/536755427.db2.gz URLXJRPXSOFXQA-UHFFFAOYSA-N 0 3 328.460 2.630 20 10 EFCDHN CN(C)Cc1ccccc1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000683378433 549890454 /nfs/dbraw/zinc/89/04/54/549890454.db2.gz LTGOYJMDZOOORT-UHFFFAOYSA-N 0 3 339.439 2.853 20 10 EFCDHN C[C@@](CO)(NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C1CC1 ZINC000754048342 575380042 /nfs/dbraw/zinc/38/00/42/575380042.db2.gz PZPVZGAPNBEHNG-SFHVURJKSA-N 0 3 333.432 2.836 20 10 EFCDHN Cc1cc(N(C)C)ccc1CNC(=O)N(C)[C@H]1CCN(C)C[C@H]1C ZINC000754375999 575427158 /nfs/dbraw/zinc/42/71/58/575427158.db2.gz QCNJUTGUNMOCKG-QAPCUYQASA-N 0 3 332.492 2.543 20 10 EFCDHN C[C@H]1C[C@H]([NH2+]CCc2nnc3ccccn32)c2c1c(F)ccc2[O-] ZINC000756365137 575723774 /nfs/dbraw/zinc/72/37/74/575723774.db2.gz XHQJYCOFBVUGNV-AAEUAGOBSA-N 0 3 326.375 2.955 20 10 EFCDHN CC(C)[C@@H](C[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F)N1CCN(C)CC1 ZINC000756398122 575730696 /nfs/dbraw/zinc/73/06/96/575730696.db2.gz BTLJORIXIJSWDI-DJIMGWMZSA-N 0 3 349.494 2.941 20 10 EFCDHN CCN1CCN(CCC[NH2+][C@@H]2C[C@@H](C)c3c2c([O-])ccc3F)CC1 ZINC000756408608 575732383 /nfs/dbraw/zinc/73/23/83/575732383.db2.gz QDSYHLLYMQQEHM-GDBMZVCRSA-N 0 3 335.467 2.697 20 10 EFCDHN CCN1CCN(CCCC[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])CC1 ZINC000756407590 575732534 /nfs/dbraw/zinc/73/25/34/575732534.db2.gz BKXKUHSGKIEQNT-AWEZNQCLSA-N 0 3 341.446 2.739 20 10 EFCDHN CCN1CCN(CCCC[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])CC1 ZINC000756407591 575732572 /nfs/dbraw/zinc/73/25/72/575732572.db2.gz BKXKUHSGKIEQNT-CQSZACIVSA-N 0 3 341.446 2.739 20 10 EFCDHN CCN1CCN([C@H](C)C[NH2+][C@H]2C[C@H](C)c3c2c([O-])ccc3F)CC1 ZINC000756412934 575733889 /nfs/dbraw/zinc/73/38/89/575733889.db2.gz WKQAPNILJMEGFB-LZWOXQAQSA-N 0 3 335.467 2.695 20 10 EFCDHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@H](C)CN2CCCCC2)c1 ZINC000756435128 575738899 /nfs/dbraw/zinc/73/88/99/575738899.db2.gz WJQIHTPIRYQYBF-GJZGRUSLSA-N 0 3 334.460 2.951 20 10 EFCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@H](O)COc2cccc(F)c2)c1 ZINC000756462100 575742860 /nfs/dbraw/zinc/74/28/60/575742860.db2.gz YXMLHFDQKSEODT-GXTWGEPZSA-N 0 3 335.375 2.630 20 10 EFCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](O)COc2cccc(F)c2)c1 ZINC000756462106 575743061 /nfs/dbraw/zinc/74/30/61/575743061.db2.gz YXMLHFDQKSEODT-TZMCWYRMSA-N 0 3 335.375 2.630 20 10 EFCDHN C[C@H]1C[C@H]([NH2+]CC(=O)NCc2ccccc2)c2c1c(F)ccc2[O-] ZINC000756477454 575745796 /nfs/dbraw/zinc/74/57/96/575745796.db2.gz ZHTNFEJBLMEQLT-WFASDCNBSA-N 0 3 328.387 2.986 20 10 EFCDHN CCN1CCN(C[C@H](C)C[NH2+][C@@H]2C[C@@H](C)c3c2c([O-])ccc3F)CC1 ZINC000756534784 575756474 /nfs/dbraw/zinc/75/64/74/575756474.db2.gz OQYIGFOJHVFLIS-BFYDXBDKSA-N 0 3 349.494 2.943 20 10 EFCDHN CCN1CCN(C[C@H](C)C[NH2+][C@@H]2C[C@H](C)c3c2c([O-])ccc3F)CC1 ZINC000756534786 575756690 /nfs/dbraw/zinc/75/66/90/575756690.db2.gz OQYIGFOJHVFLIS-HLLBOEOZSA-N 0 3 349.494 2.943 20 10 EFCDHN COc1ccc([O-])c([C@H](C)[NH2+]C2CCN(C[C@H]3CCCO3)CC2)c1 ZINC000756572653 575764406 /nfs/dbraw/zinc/76/44/06/575764406.db2.gz HHUNFOKVOBCANN-WMLDXEAASA-N 0 3 334.460 2.695 20 10 EFCDHN C[C@H](NC1CC[NH+](C[C@H]2CCOC2)CC1)c1cc(F)cc(F)c1[O-] ZINC000756587045 575765616 /nfs/dbraw/zinc/76/56/16/575765616.db2.gz YJCLEEFSTYCNJA-QWHCGFSZSA-N 0 3 340.414 2.822 20 10 EFCDHN Cc1ccc(O)c([C@@H](C)NCc2ccc3c(c2)CCS3(=O)=O)c1 ZINC000756741501 575783123 /nfs/dbraw/zinc/78/31/23/575783123.db2.gz FXZPGONBKQFUDV-CYBMUJFWSA-N 0 3 331.437 2.881 20 10 EFCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H](CO)C[C@@H](O)c2ccccc2)c1 ZINC000756770057 575785422 /nfs/dbraw/zinc/78/54/22/575785422.db2.gz ISZYXRJULOMXMZ-ZBQZNYHESA-N 0 3 331.412 2.536 20 10 EFCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H](CO)C[C@H](O)c2ccccc2)c1 ZINC000756770055 575785523 /nfs/dbraw/zinc/78/55/23/575785523.db2.gz ISZYXRJULOMXMZ-OHNRDTAOSA-N 0 3 331.412 2.536 20 10 EFCDHN COc1ccc(O)c([C@H](C)NCc2ccc3c(c2)C(=O)NCC3)c1 ZINC000757661006 575848334 /nfs/dbraw/zinc/84/83/34/575848334.db2.gz LZPZLFKRGVWAEH-LBPRGKRZSA-N 0 3 326.396 2.538 20 10 EFCDHN Cc1cc(O)c(CNCc2ccc3c(c2)CCS3(=O)=O)cc1C ZINC000757693624 575850124 /nfs/dbraw/zinc/85/01/24/575850124.db2.gz LSXVTEBNPWNOAL-UHFFFAOYSA-N 0 3 331.437 2.629 20 10 EFCDHN COc1cc(Br)cc(C[NH2+]CCC[C@@H](C)CO)c1[O-] ZINC000758577375 575873258 /nfs/dbraw/zinc/87/32/58/575873258.db2.gz DXRPSRWWRMTWCO-SNVBAGLBSA-N 0 3 332.238 2.662 20 10 EFCDHN COC(=O)C1=C(C)O[C@H](CN(Cc2ccc(N(C)C)cc2)C2CC2)C1 ZINC000759846007 575945013 /nfs/dbraw/zinc/94/50/13/575945013.db2.gz SAVRBJMRZGGIQG-SFHVURJKSA-N 0 3 344.455 2.953 20 10 EFCDHN Cc1cc(O)c(CN2CC[C@@H](NC(=O)NC3CC3)C2)cc1C(C)C ZINC000760549045 576043569 /nfs/dbraw/zinc/04/35/69/576043569.db2.gz HFUMXHHJKQEGLZ-MRXNPFEDSA-N 0 3 331.460 2.860 20 10 EFCDHN CN(C)C[C@@H]1CN(C(=O)/C=C\c2cncc(F)c2)c2ccccc2O1 ZINC000760823398 576077943 /nfs/dbraw/zinc/07/79/43/576077943.db2.gz UVFYPKJRISRAFY-XITLMJRVSA-N 0 3 341.386 2.590 20 10 EFCDHN Cc1cnc(C2CC[NH+](Cc3cc4c(cc3[O-])OC[C@@H]4O)CC2)s1 ZINC000762167983 576268591 /nfs/dbraw/zinc/26/85/91/576268591.db2.gz FKGSSMQUPQGDDC-INIZCTEOSA-N 0 3 346.452 2.963 20 10 EFCDHN CCN(C)c1ccc([C@H](C)NCc2ccc(-n3cncn3)nc2)cc1 ZINC000764958169 576528873 /nfs/dbraw/zinc/52/88/73/576528873.db2.gz SLTXLATWQREKSQ-HNNXBMFYSA-N 0 3 336.443 2.969 20 10 EFCDHN COC[C@H](NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)C1CC1 ZINC000765128956 577009959 /nfs/dbraw/zinc/00/99/59/577009959.db2.gz YXCXSVXDRSHJDW-IYOUNJFTSA-N 0 3 336.451 2.954 20 10 EFCDHN CC[C@@H](NCCS(=O)(=O)NC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000765406934 577038915 /nfs/dbraw/zinc/03/89/15/577038915.db2.gz BGKLSRDKGCLIHS-MRXNPFEDSA-N 0 3 341.521 2.511 20 10 EFCDHN C[C@@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1)C(=O)NC1CCCC1 ZINC000765422602 577040760 /nfs/dbraw/zinc/04/07/60/577040760.db2.gz AJYJHMFGLCTADD-JKSUJKDBSA-N 0 3 345.487 2.621 20 10 EFCDHN C[C@@H](CN[C@@H](C)c1ccc(N2CCOCC2)cc1Cl)N(C)C ZINC000765774312 577075261 /nfs/dbraw/zinc/07/52/61/577075261.db2.gz IMPOMZAKLSLWRH-KBPBESRZSA-N 0 3 325.884 2.777 20 10 EFCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CCC(C)(CC)CC1)cc2=O ZINC000725803261 577229712 /nfs/dbraw/zinc/22/97/12/577229712.db2.gz BFYOWOKRNXPTLN-UHFFFAOYSA-N 0 3 346.431 2.624 20 10 EFCDHN CCOc1ccc(C[NH2+]CC2(N3CCOCC3)CCCCC2)c([O-])c1 ZINC000725841553 577243763 /nfs/dbraw/zinc/24/37/63/577243763.db2.gz NFYBQZLAQJYPGC-UHFFFAOYSA-N 0 3 348.487 2.916 20 10 EFCDHN CCOc1ccc(C[NH2+]C[C@H](CO)Cc2ccc(F)cc2)c([O-])c1 ZINC000725846277 577247047 /nfs/dbraw/zinc/24/70/47/577247047.db2.gz BKRKLQJYIXCYOZ-OAHLLOKOSA-N 0 3 333.403 2.871 20 10 EFCDHN COc1cccc(CNCc2ccc(C(=O)N3CCCC3)cc2)c1O ZINC000725848340 577248415 /nfs/dbraw/zinc/24/84/15/577248415.db2.gz QGHPAMGBGLIUDO-UHFFFAOYSA-N 0 3 340.423 2.927 20 10 EFCDHN [O-]c1cc2c(cc1C[NH2+]CCN1CCCc3ccccc31)OCO2 ZINC000725849493 577249731 /nfs/dbraw/zinc/24/97/31/577249731.db2.gz OTIKZJISKJXSGC-UHFFFAOYSA-N 0 3 326.396 2.663 20 10 EFCDHN COc1cc(Br)cc(CN2CCC(CCO)CC2)c1O ZINC000768238522 577262391 /nfs/dbraw/zinc/26/23/91/577262391.db2.gz ZZSBAFWVJJYAQH-UHFFFAOYSA-N 0 3 344.249 2.758 20 10 EFCDHN COc1cccc(O)c1CN1CCN(CCc2cccs2)CC1 ZINC000768357558 577268185 /nfs/dbraw/zinc/26/81/85/577268185.db2.gz NPNFQOSODKMTOF-UHFFFAOYSA-N 0 3 332.469 2.823 20 10 EFCDHN CN(C)c1ccc(CNC(=O)N2CCCC23CCN(C)CC3)cc1 ZINC000768392573 577270950 /nfs/dbraw/zinc/27/09/50/577270950.db2.gz SDSZSYJQCQYSPN-UHFFFAOYSA-N 0 3 330.476 2.522 20 10 EFCDHN COc1ccccc1CN(Cc1cc2c(cc1O)OC[C@H]2O)C1CC1 ZINC000768440129 577273745 /nfs/dbraw/zinc/27/37/45/577273745.db2.gz OIYDFGOBGBSOSY-GOSISDBHSA-N 0 3 341.407 2.991 20 10 EFCDHN COc1ccc([C@H]2CC[N@H+](Cc3cc4c(cc3[O-])OC[C@@H]4O)C2)cc1 ZINC000768444724 577274126 /nfs/dbraw/zinc/27/41/26/577274126.db2.gz NVCZIHITRSMBDF-LIRRHRJNSA-N 0 3 341.407 2.816 20 10 EFCDHN COc1ccc([C@H]2CC[N@@H+](Cc3cc4c(cc3[O-])OC[C@@H]4O)C2)cc1 ZINC000768444724 577274128 /nfs/dbraw/zinc/27/41/28/577274128.db2.gz NVCZIHITRSMBDF-LIRRHRJNSA-N 0 3 341.407 2.816 20 10 EFCDHN [O-]c1cc2c(cc1C[NH+]1CCC(OC3CCCC3)CC1)[C@@H](O)CO2 ZINC000768445168 577274447 /nfs/dbraw/zinc/27/44/47/577274447.db2.gz QIJJDNKQHGAGRT-SFHVURJKSA-N 0 3 333.428 2.742 20 10 EFCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@H](c3ccc(F)cc3)C1)[C@H](O)CO2 ZINC000768463406 577276046 /nfs/dbraw/zinc/27/60/46/577276046.db2.gz IEYYJCNZIHRDNK-SCLBCKFNSA-N 0 3 329.371 2.947 20 10 EFCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@H](c3ccc(F)cc3)C1)[C@H](O)CO2 ZINC000768463406 577276047 /nfs/dbraw/zinc/27/60/47/577276047.db2.gz IEYYJCNZIHRDNK-SCLBCKFNSA-N 0 3 329.371 2.947 20 10 EFCDHN CN(C)c1ccc(CN2CCC(C(=O)NCC(F)(F)F)CC2)cc1 ZINC000768781192 577301597 /nfs/dbraw/zinc/30/15/97/577301597.db2.gz OTMXYWOHSGMTIY-UHFFFAOYSA-N 0 3 343.393 2.643 20 10 EFCDHN COc1cccc([O-])c1C[NH+]1CCC(C(=O)N2CCC(C)CC2)CC1 ZINC000768916151 577316096 /nfs/dbraw/zinc/31/60/96/577316096.db2.gz SZLBVSKDZOMISM-UHFFFAOYSA-N 0 3 346.471 2.871 20 10 EFCDHN c1cn([C@@H]2CCCN(Cc3ccc(N4CCOCC4)cc3)C2)cn1 ZINC000769310670 577351200 /nfs/dbraw/zinc/35/12/00/577351200.db2.gz IYNSLQJAINJBOZ-LJQANCHMSA-N 0 3 326.444 2.557 20 10 EFCDHN CCOc1cccc(C[NH+]2CCC(N(C)CC(F)F)CC2)c1[O-] ZINC000769508074 577368496 /nfs/dbraw/zinc/36/84/96/577368496.db2.gz CZUOFNKGWIKTCG-UHFFFAOYSA-N 0 3 328.403 2.952 20 10 EFCDHN CC[NH+](CC)CCO[C@@H]1CCN(Cc2c([O-])cccc2Cl)C1 ZINC000769513610 577368982 /nfs/dbraw/zinc/36/89/82/577368982.db2.gz CXLSCKAOWFVVKW-CQSZACIVSA-N 0 3 326.868 2.978 20 10 EFCDHN CC[NH+](CC)CCO[C@@H]1CCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000769515364 577369141 /nfs/dbraw/zinc/36/91/41/577369141.db2.gz OZHLGEZFXROIMD-MRXNPFEDSA-N 0 3 326.868 2.978 20 10 EFCDHN CCc1nsc(N2CCCN(Cc3c(O)cccc3OC)CC2)n1 ZINC000769549414 577371977 /nfs/dbraw/zinc/37/19/77/577371977.db2.gz RCEVBEJFVQDBIW-UHFFFAOYSA-N 0 3 348.472 2.527 20 10 EFCDHN C[C@H](CCN1CCN(C)CC1)[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000770006612 577397517 /nfs/dbraw/zinc/39/75/17/577397517.db2.gz YZQRXHCPLROPPV-LZWOXQAQSA-N 0 3 335.467 2.695 20 10 EFCDHN CC[C@H]1CN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C[C@@H]1O ZINC000770381843 577414085 /nfs/dbraw/zinc/41/40/85/577414085.db2.gz QECQYWMHKPDKIM-YJBOKZPZSA-N 0 3 333.432 2.788 20 10 EFCDHN [O-]c1cc2c(cc1C[NH+]1CCC(Cc3cccnc3)CC1)[C@H](O)CO2 ZINC000770663774 581122685 /nfs/dbraw/zinc/12/26/85/581122685.db2.gz DXDMNAHCXTUYQI-LJQANCHMSA-N 0 3 340.423 2.668 20 10 EFCDHN C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)[C@@H](c1ccccc1)N(C)C ZINC000771512106 581219812 /nfs/dbraw/zinc/21/98/12/581219812.db2.gz XUWGCDJRCBWJIA-HDMKGLSNSA-N 0 3 340.423 2.919 20 10 EFCDHN CCN1CCCC[C@@H]1CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773293835 581415122 /nfs/dbraw/zinc/41/51/22/581415122.db2.gz AFAIBQCAXZTEGO-MAUKXSAKSA-N 0 3 332.492 2.987 20 10 EFCDHN C[C@H](NC(=O)N[C@H]1CN(C2CC2)C[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000773394548 581426373 /nfs/dbraw/zinc/42/63/73/581426373.db2.gz ZXHMKSDOVIOZTA-DEYYWGMASA-N 0 3 330.476 2.596 20 10 EFCDHN Cc1nn(C)c(C)c1NC(=O)[C@@H](C)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000774487325 581492590 /nfs/dbraw/zinc/49/25/90/581492590.db2.gz ZDFOCOFONAJFOO-TZMCWYRMSA-N 0 3 343.475 2.781 20 10 EFCDHN C[C@H](N[C@H](Cc1ccc(F)cc1)C(N)=O)c1ccc(N(C)C)cc1 ZINC000774483797 581492602 /nfs/dbraw/zinc/49/26/02/581492602.db2.gz LZNZSFMPELZSDY-SCLBCKFNSA-N 0 3 329.419 2.639 20 10 EFCDHN Cc1ncc(C[NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)n1C ZINC000850137157 1250309352 /nfs/dbraw/zinc/30/93/52/1250309352.db2.gz KTTHVTDFYIDJHS-MRXNPFEDSA-N 0 3 348.878 2.842 20 10 EFCDHN CC[C@H](C)N1C(=O)C[C@]2(CCC[N@H+](Cc3cc(F)ccc3[O-])C2)C1=O ZINC001273283915 1265475399 /nfs/dbraw/zinc/47/53/99/1265475399.db2.gz CBXSCKKUKJZJKH-DJJJIMSYSA-N 0 3 348.418 2.671 20 10 EFCDHN CC[C@H](C)N1C(=O)C[C@]2(CCC[N@@H+](Cc3cc(F)ccc3[O-])C2)C1=O ZINC001273283915 1265475402 /nfs/dbraw/zinc/47/54/02/1265475402.db2.gz CBXSCKKUKJZJKH-DJJJIMSYSA-N 0 3 348.418 2.671 20 10 EFCDHN O=C1N(CC(F)F)CCC12CC[NH+](Cc1cc(F)ccc1[O-])CC2 ZINC001273284070 1265475816 /nfs/dbraw/zinc/47/58/16/1265475816.db2.gz DRXHCYCYYKNJOO-UHFFFAOYSA-N 0 3 342.361 2.611 20 10 EFCDHN COc1cc(Br)cc(C[NH2+]C[C@@H](CO)CC2CC2)c1[O-] ZINC000850389064 1250462258 /nfs/dbraw/zinc/46/22/58/1250462258.db2.gz SQSJLQTZHPPWGZ-NSHDSACASA-N 0 3 344.249 2.662 20 10 EFCDHN CCCN1CC[C@@H]([NH2+]Cc2cc(Br)cc(OC)c2[O-])C1 ZINC000850395831 1250464934 /nfs/dbraw/zinc/46/49/34/1250464934.db2.gz ZRBGFQSOCUPQNY-CYBMUJFWSA-N 0 3 343.265 2.737 20 10 EFCDHN CC(C)(C)n1cc(CNCc2ccc(N3CCC(O)CC3)cc2)cn1 ZINC000850405931 1250468486 /nfs/dbraw/zinc/46/84/86/1250468486.db2.gz KUQKXGOBATXAPQ-UHFFFAOYSA-N 0 3 342.487 2.889 20 10 EFCDHN CC(C)n1cncc1CNCc1ccc(N2CCC(O)CC2)cc1 ZINC000850406871 1250470127 /nfs/dbraw/zinc/47/01/27/1250470127.db2.gz XGVLBAGCDOYXKD-UHFFFAOYSA-N 0 3 328.460 2.715 20 10 EFCDHN COc1ccc(N2C[C@H]([NH2+][C@@H](C)c3ccccc3[O-])CC2=O)cc1 ZINC000850516036 1250519902 /nfs/dbraw/zinc/51/99/02/1250519902.db2.gz QWGHYBLOCDCPTH-UONOGXRCSA-N 0 3 326.396 2.857 20 10 EFCDHN Cn1ncc2c1CCC[C@@H]2NCc1ccc(N2CCC(O)CC2)cc1 ZINC000850565734 1250539061 /nfs/dbraw/zinc/53/90/61/1250539061.db2.gz HSZCPBLHZWNBMD-IBGZPJMESA-N 0 3 340.471 2.548 20 10 EFCDHN Cc1cc([C@H](C)NCc2ccc(N3CCC(O)CC3)cc2)n(C)n1 ZINC000850567978 1250541149 /nfs/dbraw/zinc/54/11/49/1250541149.db2.gz NCEHQXILEMPLDL-HNNXBMFYSA-N 0 3 328.460 2.540 20 10 EFCDHN c1ncn(Cc2ccc(CNCc3ccc4c(c3)CCCO4)cc2)n1 ZINC000921518597 1256888589 /nfs/dbraw/zinc/88/85/89/1256888589.db2.gz IEZCAJSQADUJGZ-UHFFFAOYSA-N 0 3 334.423 2.941 20 10 EFCDHN CC[C@H](C)N1C(=O)C[C@@]2(CCC[N@H+](Cc3ccc(C)cc3[O-])C2)C1=O ZINC001272764981 1257678218 /nfs/dbraw/zinc/67/82/18/1257678218.db2.gz FKBNZWAPNFBGIN-MGPUTAFESA-N 0 3 344.455 2.840 20 10 EFCDHN CC[C@H](C)N1C(=O)C[C@@]2(CCC[N@@H+](Cc3ccc(C)cc3[O-])C2)C1=O ZINC001272764981 1257678226 /nfs/dbraw/zinc/67/82/26/1257678226.db2.gz FKBNZWAPNFBGIN-MGPUTAFESA-N 0 3 344.455 2.840 20 10 EFCDHN CC[C@@H](C)N1C(=O)C[C@]2(CCC[N@H+](Cc3ccc(C)cc3[O-])C2)C1=O ZINC001272764982 1257678586 /nfs/dbraw/zinc/67/85/86/1257678586.db2.gz FKBNZWAPNFBGIN-QRWLVFNGSA-N 0 3 344.455 2.840 20 10 EFCDHN CC[C@@H](C)N1C(=O)C[C@]2(CCC[N@@H+](Cc3ccc(C)cc3[O-])C2)C1=O ZINC001272764982 1257678595 /nfs/dbraw/zinc/67/85/95/1257678595.db2.gz FKBNZWAPNFBGIN-QRWLVFNGSA-N 0 3 344.455 2.840 20 10 EFCDHN COC(=O)c1ccc(N2CCN(Cc3ccccc3O)CC2)cc1 ZINC001203558489 1259248045 /nfs/dbraw/zinc/24/80/45/1259248045.db2.gz KGEUWTAMMQKPFN-UHFFFAOYSA-N 0 3 326.396 2.501 20 10 EFCDHN COC(=O)c1ccc(N2CC[NH+](Cc3ccccc3[O-])CC2)cc1 ZINC001203558489 1259248050 /nfs/dbraw/zinc/24/80/50/1259248050.db2.gz KGEUWTAMMQKPFN-UHFFFAOYSA-N 0 3 326.396 2.501 20 10 EFCDHN COCCCOCCN(C)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000091026163 1259525380 /nfs/dbraw/zinc/52/53/80/1259525380.db2.gz GBASSSVDRZCBQK-UHFFFAOYSA-N 0 3 325.449 2.880 20 10 EFCDHN [NH3+]C[C@H]1CN(Cc2cc(Cl)cc(Cl)c2[O-])CC12CCOCC2 ZINC000843125205 1260614818 /nfs/dbraw/zinc/61/48/18/1260614818.db2.gz NZKLIBJAJWBBSP-LBPRGKRZSA-N 0 3 345.270 2.886 20 10 EFCDHN Cc1cc([C@H](C)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)nn1C ZINC000903448069 1260720874 /nfs/dbraw/zinc/72/08/74/1260720874.db2.gz JAXRMBUBRHHMMK-HNAYVOBHSA-N 0 3 329.492 2.748 20 10 EFCDHN CC(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001032810213 1261963122 /nfs/dbraw/zinc/96/31/22/1261963122.db2.gz WTMNTNPXNQSKCI-HOTGVXAUSA-N 0 3 343.431 2.794 20 10 EFCDHN O=C1[C@@H](NCc2ccc3c(c2)CCCO3)CCCN1CC(F)(F)F ZINC000921915632 1263371165 /nfs/dbraw/zinc/37/11/65/1263371165.db2.gz WBSVMFBLENWCSK-AWEZNQCLSA-N 0 3 342.361 2.655 20 10 EFCDHN COc1cc(Br)cc(C[NH2+][C@H](C)CCCCO)c1[O-] ZINC000824654779 1278218077 /nfs/dbraw/zinc/21/80/77/1278218077.db2.gz QKNDDRAIGSQUKM-SNVBAGLBSA-N 0 3 332.238 2.804 20 10 EFCDHN O=C1N(CC2CCCC2)CC[C@]12CCCN2Cc1ccc(O)cc1O ZINC001272988185 1264742763 /nfs/dbraw/zinc/74/27/63/1264742763.db2.gz NXANZYSVKSAHRZ-HXUWFJFHSA-N 0 3 344.455 2.855 20 10 EFCDHN COC(=O)[C@H](C)Oc1ccccc1CNCc1cc(C)ccc1O ZINC000922284492 1265283324 /nfs/dbraw/zinc/28/33/24/1265283324.db2.gz QBMXXOXSWSQDBX-AWEZNQCLSA-N 0 3 329.396 2.931 20 10 EFCDHN C[C@@H]1CN(C(=O)C[N@H+](Cc2ccccc2[O-])C2CCCC2)C[C@@H](C)O1 ZINC000733613206 1265316909 /nfs/dbraw/zinc/31/69/09/1265316909.db2.gz DMEILGJPYZCLDQ-HZPDHXFCSA-N 0 3 346.471 2.773 20 10 EFCDHN C[C@@H]1CN(C(=O)C[N@@H+](Cc2ccccc2[O-])C2CCCC2)C[C@@H](C)O1 ZINC000733613206 1265316914 /nfs/dbraw/zinc/31/69/14/1265316914.db2.gz DMEILGJPYZCLDQ-HZPDHXFCSA-N 0 3 346.471 2.773 20 10 EFCDHN CN1CC[C@@]2(CCCN(Cc3ccc4c(c3)CCCN4C)CC2)C1=O ZINC001273321384 1267227696 /nfs/dbraw/zinc/22/76/96/1267227696.db2.gz YFKUVFFHYYBEIM-OAQYLSRUSA-N 0 3 341.499 2.903 20 10 EFCDHN CCN1C[C@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])CC1=O ZINC000824887309 1278347124 /nfs/dbraw/zinc/34/71/24/1278347124.db2.gz UKCQSYUSNWGDMR-QGZVFWFLSA-N 0 3 340.423 2.682 20 10 EFCDHN CC[NH+](CC)Cc1ccccc1CNC(=O)c1cccc(O)c1[O-] ZINC000186799079 1267722605 /nfs/dbraw/zinc/72/26/05/1267722605.db2.gz BSIIZRSKFTVPBB-UHFFFAOYSA-N 0 3 328.412 2.870 20 10 EFCDHN CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1cccc(O)c1[O-] ZINC000186932471 1268238987 /nfs/dbraw/zinc/23/89/87/1268238987.db2.gz SOPBEAQFYNVGIF-UHFFFAOYSA-N 0 3 328.412 2.868 20 10 EFCDHN CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)c1cccc(O)c1[O-] ZINC000186932471 1268238994 /nfs/dbraw/zinc/23/89/94/1268238994.db2.gz SOPBEAQFYNVGIF-UHFFFAOYSA-N 0 3 328.412 2.868 20 10 EFCDHN CCN1CCC[C@@H](C[NH2+]Cc2ccc(Br)cc2[O-])C1 ZINC000825167485 1278432508 /nfs/dbraw/zinc/43/25/08/1278432508.db2.gz MXERMKAWCLWIAG-LBPRGKRZSA-N 0 3 327.266 2.976 20 10 EFCDHN [O-]c1ccccc1C[N@H+](CCOC[C@H]1CCCO1)C[C@H]1CCCO1 ZINC000741248778 1269430243 /nfs/dbraw/zinc/43/02/43/1269430243.db2.gz CLKRDKCUQZIMGW-QZTJIDSGSA-N 0 3 335.444 2.569 20 10 EFCDHN [O-]c1ccccc1C[N@@H+](CCOC[C@H]1CCCO1)C[C@H]1CCCO1 ZINC000741248778 1269430247 /nfs/dbraw/zinc/43/02/47/1269430247.db2.gz CLKRDKCUQZIMGW-QZTJIDSGSA-N 0 3 335.444 2.569 20 10 EFCDHN CC(C)CN1CC[C@@H]1CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001085994767 1269450186 /nfs/dbraw/zinc/45/01/86/1269450186.db2.gz UMAXCLXAJDFWAC-OAHLLOKOSA-N 0 3 331.420 2.651 20 10 EFCDHN CCOc1cccc(CN(CCO)Cc2cccc(OC)c2O)c1 ZINC000825299790 1278496510 /nfs/dbraw/zinc/49/65/10/1278496510.db2.gz OJHNTOXWHQKOIP-UHFFFAOYSA-N 0 3 331.412 2.794 20 10 EFCDHN CCN(C(=O)c1ccc(N=NC(N)=O)cc1)[C@@H]1CCN(CCCF)C1 ZINC001034052839 1270933113 /nfs/dbraw/zinc/93/31/13/1270933113.db2.gz MNWOGEFAUOYFDD-OAHLLOKOSA-N 0 3 349.410 2.745 20 10 EFCDHN COc1cc(Br)cc(C[NH2+]CCN2CC[C@H](C)C2)c1[O-] ZINC000744449959 1271051523 /nfs/dbraw/zinc/05/15/23/1271051523.db2.gz QYSQJGUVJYZDJE-NSHDSACASA-N 0 3 343.265 2.595 20 10 EFCDHN C[C@@H]1CC[C@@H](C)N1CC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000746133573 1271807106 /nfs/dbraw/zinc/80/71/06/1271807106.db2.gz VTOGODCOXXCNGU-HZPDHXFCSA-N 0 3 347.528 2.729 20 10 EFCDHN C[C@H]1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)[C@@H]1CO ZINC000785984224 1275266109 /nfs/dbraw/zinc/26/61/09/1275266109.db2.gz JYQMQZWEHCYZJT-KBXCAEBGSA-N 0 3 333.432 2.788 20 10 EFCDHN COc1ccc(N(C)CCN(C)C[C@H](O)c2cccc(F)c2)cc1 ZINC000844399619 1278949643 /nfs/dbraw/zinc/94/96/43/1278949643.db2.gz LWDNFOZGXMONSR-IBGZPJMESA-N 0 3 332.419 2.936 20 10 EFCDHN COc1ccc(N(C)CCN(C)Cc2cc(=O)[nH]c(C3CC3)n2)cc1 ZINC000844401375 1278951611 /nfs/dbraw/zinc/95/16/11/1278951611.db2.gz KGYIYVFPAKYPEO-UHFFFAOYSA-N 0 3 342.443 2.636 20 10 EFCDHN COC(=O)[C@@](C)(C[NH2+]Cc1c([O-])cccc1OC)c1ccccc1 ZINC000787423431 1275771428 /nfs/dbraw/zinc/77/14/28/1275771428.db2.gz MUEQLLZKSQQGJG-IBGZPJMESA-N 0 3 329.396 2.621 20 10 EFCDHN CN(C)CCCOC(=O)c1cccc2c1C(=O)c1ccccc1C2=O ZINC000787578455 1275814341 /nfs/dbraw/zinc/81/43/41/1275814341.db2.gz IRGNYGUCOFDWHF-UHFFFAOYSA-N 0 3 337.375 2.571 20 10 EFCDHN COC[C@]1(CN[C@@H](C)c2cccc(C(F)(F)F)c2[O-])CCC[NH2+]1 ZINC000817975528 1276415545 /nfs/dbraw/zinc/41/55/45/1276415545.db2.gz WBQMGOLWKHILMZ-XHDPSFHLSA-N 0 3 332.366 2.830 20 10 EFCDHN CC[C@H]([NH2+]C[C@@H]1C[C@H](F)CN1)c1cc(Br)ccc1[O-] ZINC000817976717 1276416895 /nfs/dbraw/zinc/41/68/95/1276416895.db2.gz SCOVDSTWQIXNBK-GVXVVHGQSA-N 0 3 331.229 2.895 20 10 EFCDHN CC[C@H](NC[C@@H]1CCN(c2ccc(OC)cc2)C1)c1ccn(C)n1 ZINC000818342113 1276510088 /nfs/dbraw/zinc/51/00/88/1276510088.db2.gz LSODHOGOPYJDRM-YJBOKZPZSA-N 0 3 328.460 2.996 20 10 EFCDHN COc1ccc(N2CC[C@H](CNC(=O)CN3[C@H](C)CC[C@H]3C)C2)cc1 ZINC000819583838 1276827025 /nfs/dbraw/zinc/82/70/25/1276827025.db2.gz AEHXWFAVNVZVGM-BRWVUGGUSA-N 0 3 345.487 2.511 20 10 EFCDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000820680240 1277275437 /nfs/dbraw/zinc/27/54/37/1277275437.db2.gz FYYQLEHIPBQNAZ-CABCVRRESA-N 0 3 329.404 2.548 20 10 EFCDHN COCC1([NH2+]Cc2cc(Br)cc(OC)c2[O-])CCC1 ZINC000790653056 1277722352 /nfs/dbraw/zinc/72/23/52/1277722352.db2.gz XNELDWJZHRTYOZ-UHFFFAOYSA-N 0 3 330.222 2.822 20 10 EFCDHN COCCc1ccc(OC[C@H](O)C[NH2+][C@@H](C)c2ccccc2[O-])cc1 ZINC000815081766 1287305588 /nfs/dbraw/zinc/30/55/88/1287305588.db2.gz NWUDIOQGHBBVJL-DOTOQJQBSA-N 0 3 345.439 2.672 20 10 EFCDHN CC(C)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCS(=O)(=O)C1 ZINC000792861287 1279198075 /nfs/dbraw/zinc/19/80/75/1279198075.db2.gz AJLARNYJHXXZEN-QGZVFWFLSA-N 0 3 338.517 2.788 20 10 EFCDHN COc1cc(Br)cc(C[NH2+][C@H](CO)CC2CCC2)c1[O-] ZINC000793324465 1279548563 /nfs/dbraw/zinc/54/85/63/1279548563.db2.gz ZWIXEELYLQQIFN-ZDUSSCGKSA-N 0 3 344.249 2.804 20 10 EFCDHN COC(=O)[C@H](C)Oc1ccc(C[NH2+]Cc2ccc(OC)cc2[O-])cc1 ZINC000793389079 1279614864 /nfs/dbraw/zinc/61/48/64/1279614864.db2.gz UZBOKCSRASGULM-ZDUSSCGKSA-N 0 3 345.395 2.631 20 10 EFCDHN COc1ccc(C[NH2+]C2CCN(CCC(F)(F)F)CC2)c([O-])c1 ZINC000793388596 1279616671 /nfs/dbraw/zinc/61/66/71/1279616671.db2.gz GTCSPRPCYJVLBA-UHFFFAOYSA-N 0 3 332.366 2.907 20 10 EFCDHN COc1ccc(O)c(CN2CCN(C)[C@@H](Cc3ccccc3)C2)c1 ZINC000793619546 1279779856 /nfs/dbraw/zinc/77/98/56/1279779856.db2.gz HAVONUJIPAVJQW-SFHVURJKSA-N 0 3 326.440 2.760 20 10 EFCDHN COc1ccc(O)c([C@H](C)NCc2cc3c(cc2OC)OCO3)c1 ZINC000845971550 1279947786 /nfs/dbraw/zinc/94/77/86/1279947786.db2.gz LHHCLVBZEZRRLK-NSHDSACASA-N 0 3 331.368 2.989 20 10 EFCDHN COc1ccc(O)c([C@@H](C)NCc2cc(Br)nn2C)c1 ZINC000845970946 1279948823 /nfs/dbraw/zinc/94/88/23/1279948823.db2.gz GCDFUWXVIMJEDN-SECBINFHSA-N 0 3 340.221 2.748 20 10 EFCDHN COC(=O)[C@@H]1C[N@H+](Cc2c([O-])cccc2OC)C[C@H]1c1ccccc1 ZINC000846070773 1280005641 /nfs/dbraw/zinc/00/56/41/1280005641.db2.gz VQGXUDUVOVWEED-JKSUJKDBSA-N 0 3 341.407 2.789 20 10 EFCDHN COC(=O)[C@@H]1C[N@@H+](Cc2c([O-])cccc2OC)C[C@H]1c1ccccc1 ZINC000846070773 1280005644 /nfs/dbraw/zinc/00/56/44/1280005644.db2.gz VQGXUDUVOVWEED-JKSUJKDBSA-N 0 3 341.407 2.789 20 10 EFCDHN O=C1CCCN1CC[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000846082322 1280009122 /nfs/dbraw/zinc/00/91/22/1280009122.db2.gz OFXJLBATHGMSIZ-UHFFFAOYSA-N 0 3 340.423 2.683 20 10 EFCDHN COc1cccc([C@H](C)N[C@@H]2CCN(C3CCCCC3)C2=O)c1O ZINC000846152313 1280039918 /nfs/dbraw/zinc/03/99/18/1280039918.db2.gz ABHBGBSVSPMHHE-XJKSGUPXSA-N 0 3 332.444 2.985 20 10 EFCDHN COc1cccc([C@H](C)NCc2ccc3c(c2)C(=O)NCC3)c1O ZINC000846166681 1280044186 /nfs/dbraw/zinc/04/41/86/1280044186.db2.gz ZOCHMBPJAWQOBG-LBPRGKRZSA-N 0 3 326.396 2.538 20 10 EFCDHN COc1cccc([C@H](C)N[C@H]2CCN(Cc3ccccc3)C2=O)c1O ZINC000846145388 1280052492 /nfs/dbraw/zinc/05/24/92/1280052492.db2.gz ALDPAFLIVJUUNX-YOEHRIQHSA-N 0 3 340.423 2.853 20 10 EFCDHN C[C@@H](N[C@@H](CO)CCF)c1ccc(N2CCOCC2)cc1Cl ZINC000846207695 1280055817 /nfs/dbraw/zinc/05/58/17/1280055817.db2.gz BUDZTDYKKNPOBD-CHWSQXEVSA-N 0 3 330.831 2.548 20 10 EFCDHN CCNc1nc(NCc2cccc(OC)c2O)nc(NC(C)(C)C)n1 ZINC000804424372 1280204663 /nfs/dbraw/zinc/20/46/63/1280204663.db2.gz JPCAONUIBCFQFT-UHFFFAOYSA-N 0 3 346.435 2.840 20 10 EFCDHN COc1cc(Br)cc(C[NH2+]C[C@@H](CO)C(C)C)c1[O-] ZINC000808421936 1281709955 /nfs/dbraw/zinc/70/99/55/1281709955.db2.gz UMCOKIYMNQDAKK-NSHDSACASA-N 0 3 332.238 2.517 20 10 EFCDHN CCN(CCC[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-])S(C)(=O)=O ZINC000808678039 1281862694 /nfs/dbraw/zinc/86/26/94/1281862694.db2.gz IXRJBBNHJJBBNL-GFCCVEGCSA-N 0 3 348.896 2.676 20 10 EFCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H]2CCN(c3cnn(C)c3)C2=O)c1[O-] ZINC000808707769 1281867400 /nfs/dbraw/zinc/86/74/00/1281867400.db2.gz YFJINIYFENMXRX-IAQYHMDHSA-N 0 3 348.834 2.544 20 10 EFCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H]2COC3(CCOCC3)O2)c1[O-] ZINC000808713081 1281869907 /nfs/dbraw/zinc/86/99/07/1281869907.db2.gz LBLBJSYDLUNERG-TZMCWYRMSA-N 0 3 341.835 2.927 20 10 EFCDHN CNC(=O)[C@H](CCSC)[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808718664 1281871826 /nfs/dbraw/zinc/87/18/26/1281871826.db2.gz PZZUVPJMWDEFMH-GWCFXTLKSA-N 0 3 330.881 2.872 20 10 EFCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CC2(OCCO)CCOCC2)c1[O-] ZINC000808718467 1281871850 /nfs/dbraw/zinc/87/18/50/1281871850.db2.gz UPSUNPJINXCPJM-CYBMUJFWSA-N 0 3 343.851 2.563 20 10 EFCDHN COc1cncc(CN[C@@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000808743505 1281892940 /nfs/dbraw/zinc/89/29/40/1281892940.db2.gz GSVWRGBGDQSCAK-HNNXBMFYSA-N 0 3 327.428 2.778 20 10 EFCDHN CCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1ccc(OCC)cc1[O-] ZINC000809691702 1282377755 /nfs/dbraw/zinc/37/77/55/1282377755.db2.gz QAWKCRXFLKVOOG-OAHLLOKOSA-N 0 3 336.432 2.892 20 10 EFCDHN CCNC(=O)OC[C@H]1CCCC[N@H+]1Cc1ccc(OCC)cc1[O-] ZINC000809691702 1282377763 /nfs/dbraw/zinc/37/77/63/1282377763.db2.gz QAWKCRXFLKVOOG-OAHLLOKOSA-N 0 3 336.432 2.892 20 10 EFCDHN CCOc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)c([O-])c1 ZINC000809697522 1282381766 /nfs/dbraw/zinc/38/17/66/1282381766.db2.gz IIZVRJRQKFMAIS-JSGCOSHPSA-N 0 3 333.350 2.784 20 10 EFCDHN CCOc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)c([O-])c1 ZINC000809697522 1282381773 /nfs/dbraw/zinc/38/17/73/1282381773.db2.gz IIZVRJRQKFMAIS-JSGCOSHPSA-N 0 3 333.350 2.784 20 10 EFCDHN CCCNC(=O)OC[C@H]1CCCCN1Cc1cc(OC)ccc1O ZINC000809726726 1282408784 /nfs/dbraw/zinc/40/87/84/1282408784.db2.gz URRXYCNQSDUCNZ-OAHLLOKOSA-N 0 3 336.432 2.892 20 10 EFCDHN C[C@@H]([NH2+]C[C@H](O)CN1CCCC1)c1cccc(C(F)(F)F)c1[O-] ZINC000815563480 1287596549 /nfs/dbraw/zinc/59/65/49/1287596549.db2.gz DKDCZMIUJORZCX-NEPJUHHUSA-N 0 3 332.366 2.518 20 10 EFCDHN CN(C)C[C@@H](O)C[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815577159 1287609242 /nfs/dbraw/zinc/60/92/42/1287609242.db2.gz IBBBPWTYYMGWTK-PKOBYXMFSA-N 0 3 328.456 2.578 20 10 EFCDHN C[C@H]1C[C@H]([NH2+]Cc2ccc(CC(N)=O)cc2)c2c1c(F)ccc2[O-] ZINC000810242039 1283094768 /nfs/dbraw/zinc/09/47/68/1283094768.db2.gz JEVXWGKPNXZKHS-NHYWBVRUSA-N 0 3 328.387 2.897 20 10 EFCDHN COc1cc(Cl)cc(C[NH2+]C[C@H](C)CC2(C)OCCO2)c1[O-] ZINC000716013117 1284448276 /nfs/dbraw/zinc/44/82/76/1284448276.db2.gz DTLAVSXIFOIQHZ-LLVKDONJSA-N 0 3 329.824 2.933 20 10 EFCDHN COc1ccc(O)c([C@@H](C)NCc2cnc(C3OCCO3)s2)c1 ZINC000813330763 1285813924 /nfs/dbraw/zinc/81/39/24/1285813924.db2.gz GVUXKJCZVBDMHD-SNVBAGLBSA-N 0 3 336.413 2.754 20 10 EFCDHN O=C(c1ccccc1)N1CCC[C@@H]([NH2+]Cc2ccc(O)cc2[O-])CC1 ZINC001171871175 1285832365 /nfs/dbraw/zinc/83/23/65/1285832365.db2.gz JCBKFTKDPTXRQO-QGZVFWFLSA-N 0 3 340.423 2.882 20 10 EFCDHN Cc1ccc(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)c(O)c1O ZINC000813828390 1286130957 /nfs/dbraw/zinc/13/09/57/1286130957.db2.gz RXUFBBGACBDZFN-WMLDXEAASA-N 0 3 340.423 2.799 20 10 EFCDHN COC(=O)[C@@]1(c2ccccc2)CC[N@H+](Cc2c([O-])cccc2OC)C1 ZINC000814171362 1286353688 /nfs/dbraw/zinc/35/36/88/1286353688.db2.gz LXJRTQVJYSJSIL-FQEVSTJZSA-N 0 3 341.407 2.718 20 10 EFCDHN COC(=O)[C@@]1(c2ccccc2)CC[N@@H+](Cc2c([O-])cccc2OC)C1 ZINC000814171362 1286353699 /nfs/dbraw/zinc/35/36/99/1286353699.db2.gz LXJRTQVJYSJSIL-FQEVSTJZSA-N 0 3 341.407 2.718 20 10 EFCDHN COC(=O)c1cc(Br)cc(Nc2ccncc2C)c1O ZINC001174540038 1287040131 /nfs/dbraw/zinc/04/01/31/1287040131.db2.gz SKECIZYMZYTQGM-UHFFFAOYSA-N 0 3 337.173 2.810 20 10 EFCDHN Cc1cc(N(C)C)ccc1CNCc1ccc2c(c1)oc(=O)n2C ZINC000816549472 1288198436 /nfs/dbraw/zinc/19/84/36/1288198436.db2.gz OZLPIBIUQFQTEF-UHFFFAOYSA-N 0 3 325.412 2.796 20 10 EFCDHN CN1CCC(N(C(=O)/C=C/c2ccc(O)c(O)c2)C2CCCC2)CC1 ZINC001179687257 1289219811 /nfs/dbraw/zinc/21/98/11/1289219811.db2.gz RGXWQPNSKKHFKZ-VQHVLOKHSA-N 0 3 344.455 2.976 20 10 EFCDHN CN(CCN(C)C(=O)/C=C/c1ccc(O)c(O)c1)Cc1ccccc1 ZINC001179687470 1289220129 /nfs/dbraw/zinc/22/01/29/1289220129.db2.gz WNIWUPYOMDZEEU-PKNBQFBNSA-N 0 3 340.423 2.701 20 10 EFCDHN COC(=O)c1c(CN2CC[C@@H]3OCCC[C@H]3C2)c2ccccc2n1C ZINC001232401653 1312693892 /nfs/dbraw/zinc/69/38/92/1312693892.db2.gz ANCRZVBVTHGREV-KSSFIOAISA-N 0 3 342.439 2.966 20 10 EFCDHN COc1ccc(N2CC[C@H](CNC(=O)[C@H]3CCCN3C(C)C)C2)cc1 ZINC000823201787 1289241321 /nfs/dbraw/zinc/24/13/21/1289241321.db2.gz JPRJGFTWDCPPRL-VQIMIIECSA-N 0 3 345.487 2.511 20 10 EFCDHN C[C@@H]1C[C@H](NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)c2nccn21 ZINC000903447866 1312694292 /nfs/dbraw/zinc/69/42/92/1312694292.db2.gz DPFRXDUYPJYSRS-JLSDUUJJSA-N 0 3 327.476 2.847 20 10 EFCDHN COC(=O)c1c(CN2CCC[C@@H](C)[C@H]2CO)c2ccccc2n1C ZINC001232401892 1312694320 /nfs/dbraw/zinc/69/43/20/1312694320.db2.gz FWNIYBXDGVOKPM-CXAGYDPISA-N 0 3 330.428 2.558 20 10 EFCDHN COC(=O)c1c(CN2CC(C)(C)C[C@@]2(C)CO)c2ccccc2n1C ZINC001232401866 1312694432 /nfs/dbraw/zinc/69/44/32/1312694432.db2.gz DVYBNLGGZJBWQX-FQEVSTJZSA-N 0 3 344.455 2.948 20 10 EFCDHN COCC1CCN(Cc2c3ccccc3n(C)c2C(=O)OC)CC1 ZINC001232401523 1312694510 /nfs/dbraw/zinc/69/45/10/1312694510.db2.gz MNILZSKBGWBQLA-UHFFFAOYSA-N 0 3 330.428 2.823 20 10 EFCDHN COC(=O)c1c(CN2CCC[C@@](C)(O)CC2)c2ccccc2n1C ZINC001232403109 1312694888 /nfs/dbraw/zinc/69/48/88/1312694888.db2.gz UNARKCPPMLEOKK-LJQANCHMSA-N 0 3 330.428 2.702 20 10 EFCDHN COC(=O)c1c(CN2CCC[C@](F)(CO)CC2)c2ccccc2n1C ZINC001232403147 1312695167 /nfs/dbraw/zinc/69/51/67/1312695167.db2.gz VFWDICTZIBWXAB-LJQANCHMSA-N 0 3 348.418 2.651 20 10 EFCDHN COC(=O)c1c(CN2CC[C@@H]3OCC[C@H]3C2)c2ccccc2n1C ZINC001232405573 1312695632 /nfs/dbraw/zinc/69/56/32/1312695632.db2.gz MXJBQNLLKQVVOF-GUYCJALGSA-N 0 3 328.412 2.576 20 10 EFCDHN COC(=O)c1c(CN2CCC[C@H](CCO)C2)c2ccccc2n1C ZINC001232405758 1312695715 /nfs/dbraw/zinc/69/57/15/1312695715.db2.gz PRTANRXUQHDJCL-CQSZACIVSA-N 0 3 330.428 2.559 20 10 EFCDHN CCn1ccnc1[C@@H](C)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000903449138 1312696075 /nfs/dbraw/zinc/69/60/75/1312696075.db2.gz VPEGTKJWJNRFFD-CRAIPNDOSA-N 0 3 329.492 2.923 20 10 EFCDHN COC(=O)c1c(CN2C[C@H]3CCCC(=O)[C@@H]3C2)c2ccccc2n1C ZINC001232410822 1312697373 /nfs/dbraw/zinc/69/73/73/1312697373.db2.gz TYCMQHLKZXGLTL-UKRRQHHQSA-N 0 3 340.423 2.766 20 10 EFCDHN COc1ccc2ccc([O-])c(C[NH+]3CCC4(CCNC4=O)CC3)c2c1 ZINC000872788213 1289383734 /nfs/dbraw/zinc/38/37/34/1289383734.db2.gz LSFZHCPSVLRYPP-UHFFFAOYSA-N 0 3 340.423 2.656 20 10 EFCDHN C[C@@H](NCc1ccc(N(C)Cc2cccs2)cc1)C(=O)N(C)C ZINC000824098731 1289529702 /nfs/dbraw/zinc/52/97/02/1289529702.db2.gz MUZMOEMMSJDANW-CQSZACIVSA-N 0 3 331.485 2.951 20 10 EFCDHN COc1ccc(CNCC[S@@](=O)C(C)(C)C)cc1Cn1cccn1 ZINC000873053344 1289541543 /nfs/dbraw/zinc/54/15/43/1289541543.db2.gz IVDQYVOYNREHHK-XMMPIXPASA-N 0 3 349.500 2.577 20 10 EFCDHN COc1ccc(CNC[C@H](O)c2ccc(C)o2)cc1Cn1cccn1 ZINC000873060422 1289545356 /nfs/dbraw/zinc/54/53/56/1289545356.db2.gz IASAELAOXYFJLV-KRWDZBQOSA-N 0 3 341.411 2.665 20 10 EFCDHN CCCOc1ccc(CN[C@@H](CC)C(=O)N2CCOCC2)cc1C ZINC000873074247 1289553775 /nfs/dbraw/zinc/55/37/75/1289553775.db2.gz KDSDDKOFPASZIX-KRWDZBQOSA-N 0 3 334.460 2.511 20 10 EFCDHN COc1ccc(CNCc2ccc(CO)cc2)cc1Cn1cccn1 ZINC000873135079 1289590757 /nfs/dbraw/zinc/59/07/57/1289590757.db2.gz WLKSOPGYIGFDMC-UHFFFAOYSA-N 0 3 337.423 2.722 20 10 EFCDHN C[C@@H](NCc1ccc(N(C)Cc2cccs2)cc1)C(=O)NCCF ZINC000824339286 1289613167 /nfs/dbraw/zinc/61/31/67/1289613167.db2.gz RHYTZNAGDWGENQ-CQSZACIVSA-N 0 3 349.475 2.948 20 10 EFCDHN COc1cc(CN(C)Cc2ccc(O)cc2O)cc(OC)c1OC ZINC001204279054 1289614172 /nfs/dbraw/zinc/61/41/72/1289614172.db2.gz OUVRXGPEMCJZME-UHFFFAOYSA-N 0 3 333.384 2.756 20 10 EFCDHN O=C(NCc1cc(Cl)c2cccnc2c1[O-])[C@H]1C[NH+]2CCC1CC2 ZINC001182017421 1290061471 /nfs/dbraw/zinc/06/14/71/1290061471.db2.gz KZWUKDQVXQGIEO-AWEZNQCLSA-N 0 3 345.830 2.552 20 10 EFCDHN COC(=O)C[C@H]1CCN(Cc2cc(C)c(Br)cc2O)C1 ZINC001250135657 1290402889 /nfs/dbraw/zinc/40/28/89/1290402889.db2.gz HJJPFZVRGSUZJN-LLVKDONJSA-N 0 3 342.233 2.848 20 10 EFCDHN CN(C)c1ccc(CN2CCN(c3cc(Cl)ccn3)CC2)c(O)c1 ZINC001232839375 1312792397 /nfs/dbraw/zinc/79/23/97/1312792397.db2.gz IDWNRBCRWGGUTE-UHFFFAOYSA-N 0 3 346.862 2.829 20 10 EFCDHN CC(C)CC[C@@H](N)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000876731175 1290993197 /nfs/dbraw/zinc/99/31/97/1290993197.db2.gz PGPHSZXXLLMSHV-QGZVFWFLSA-N 0 3 335.517 2.620 20 10 EFCDHN CC(C)CC[C@@H](N)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000876872796 1291053933 /nfs/dbraw/zinc/05/39/33/1291053933.db2.gz NFAPGCXLOLPYRL-IAGOWNOFSA-N 0 3 334.460 2.663 20 10 EFCDHN CC(C)CC[C@H](N)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000876872798 1291054252 /nfs/dbraw/zinc/05/42/52/1291054252.db2.gz NFAPGCXLOLPYRL-SJORKVTESA-N 0 3 334.460 2.663 20 10 EFCDHN Cc1ccc([C@@H](C[NH2+]Cc2c(C)cccc2[O-])N2CCOCC2)o1 ZINC000876903394 1291066197 /nfs/dbraw/zinc/06/61/97/1291066197.db2.gz NBSGOAONFYRHPI-QGZVFWFLSA-N 0 3 330.428 2.765 20 10 EFCDHN O=C(NCCC(F)(F)F)NC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC001187039303 1291081091 /nfs/dbraw/zinc/08/10/91/1291081091.db2.gz COWWQNSKZVXJDO-UHFFFAOYSA-N 0 3 345.365 2.608 20 10 EFCDHN CN(C)c1ccc(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000093534200 1291165910 /nfs/dbraw/zinc/16/59/10/1291165910.db2.gz SBXQWSFEHFJRFL-OAHLLOKOSA-N 0 3 341.415 2.742 20 10 EFCDHN COC(=O)[C@@]1(C(F)(F)F)CCN(Cc2cc(C)cc(OC)c2O)C1 ZINC000795690626 1291204641 /nfs/dbraw/zinc/20/46/41/1291204641.db2.gz VXBGXVFEMJJWCO-OAHLLOKOSA-N 0 3 347.333 2.637 20 10 EFCDHN CC[N@H+](C)C[C@@H]1CCN(Cc2cc(Br)ccc2[O-])C1 ZINC000093769917 1291214754 /nfs/dbraw/zinc/21/47/54/1291214754.db2.gz CKGGJKJTUYXNLF-LBPRGKRZSA-N 0 3 327.266 2.928 20 10 EFCDHN CC[N@@H+](C)C[C@@H]1CCN(Cc2cc(Br)ccc2[O-])C1 ZINC000093769917 1291214760 /nfs/dbraw/zinc/21/47/60/1291214760.db2.gz CKGGJKJTUYXNLF-LBPRGKRZSA-N 0 3 327.266 2.928 20 10 EFCDHN COc1cccc(CNCc2ccccc2OCCCCO)c1O ZINC000877526645 1291260919 /nfs/dbraw/zinc/26/09/19/1291260919.db2.gz UIXHKIWJTUIYMM-UHFFFAOYSA-N 0 3 331.412 2.842 20 10 EFCDHN Cc1ccc(C[N@H+]2C[C@H](c3cnn(C)c3)C3(C2)CCOCC3)c([O-])c1 ZINC000877563945 1291277122 /nfs/dbraw/zinc/27/71/22/1291277122.db2.gz ROELKIKQDPTAFW-GOSISDBHSA-N 0 3 341.455 2.830 20 10 EFCDHN Cc1ccc(C[N@@H+]2C[C@H](c3cnn(C)c3)C3(C2)CCOCC3)c([O-])c1 ZINC000877563945 1291277129 /nfs/dbraw/zinc/27/71/29/1291277129.db2.gz ROELKIKQDPTAFW-GOSISDBHSA-N 0 3 341.455 2.830 20 10 EFCDHN COC(=O)[C@@H]1C[N@H+](Cc2ccc(C)cc2[O-])C[C@H]1c1ccc(O)cc1 ZINC000877655093 1291313411 /nfs/dbraw/zinc/31/34/11/1291313411.db2.gz OCEBIKFHZNYTNF-ZWKOTPCHSA-N 0 3 341.407 2.795 20 10 EFCDHN COC(=O)[C@@H]1C[N@@H+](Cc2ccc(C)cc2[O-])C[C@H]1c1ccc(O)cc1 ZINC000877655093 1291313419 /nfs/dbraw/zinc/31/34/19/1291313419.db2.gz OCEBIKFHZNYTNF-ZWKOTPCHSA-N 0 3 341.407 2.795 20 10 EFCDHN Cc1cc(Br)cc(C[NH2+][C@H](C)[C@H](O)C(F)(F)F)c1[O-] ZINC000877693867 1291333043 /nfs/dbraw/zinc/33/30/43/1291333043.db2.gz SVPMRYHUYSETSG-HQJQHLMTSA-N 0 3 342.155 2.864 20 10 EFCDHN CCOC1CC(CN2CCN(c3ccc(OC)cc3OC)CC2)C1 ZINC000877708286 1291338341 /nfs/dbraw/zinc/33/83/41/1291338341.db2.gz HNLXGOABDVZEBE-UHFFFAOYSA-N 0 3 334.460 2.641 20 10 EFCDHN COc1ccc(OC)c([C@H](O)[C@H](C)[NH2+]Cc2ccc(C)cc2[O-])c1 ZINC000877832889 1291400307 /nfs/dbraw/zinc/40/03/07/1291400307.db2.gz SOMAHUZSLMJGGC-ORAYPTAESA-N 0 3 331.412 2.930 20 10 EFCDHN Cc1cc(Br)cc(CN2CC[C@H](O)[C@@H](F)CC2)c1O ZINC001233105971 1312855764 /nfs/dbraw/zinc/85/57/64/1312855764.db2.gz FSCBKJAZWWQZTH-STQMWFEESA-N 0 3 332.213 2.758 20 10 EFCDHN CCCN(C(=O)NCc1ccc(N(C)C)c(F)c1)[C@@H]1CCN(C)C1 ZINC000826020415 1291483071 /nfs/dbraw/zinc/48/30/71/1291483071.db2.gz UKPHVGUABRXJLI-OAHLLOKOSA-N 0 3 336.455 2.517 20 10 EFCDHN CCN1CCN(Cc2cc(Br)c(OC)cc2O)[C@H](C)C1 ZINC001233142459 1312865244 /nfs/dbraw/zinc/86/52/44/1312865244.db2.gz PDCDYUVBBPMVOJ-LLVKDONJSA-N 0 3 343.265 2.689 20 10 EFCDHN CCOC(=O)c1c(CN2CC[C@@H](C)[C@@](C)(O)C2)c2ccccc2n1C ZINC001233270351 1312890275 /nfs/dbraw/zinc/89/02/75/1312890275.db2.gz KONSERQHPCDQFF-VLIAUNLRSA-N 0 3 344.455 2.948 20 10 EFCDHN CCOC(=O)c1c(CN2CCC[C@H](CO)CC2)c2ccccc2n1C ZINC001233270716 1312890414 /nfs/dbraw/zinc/89/04/14/1312890414.db2.gz XQHMSSNLRAYLQG-HNNXBMFYSA-N 0 3 344.455 2.949 20 10 EFCDHN CCOC(=O)c1c(CN2C[C@H](CO)CC[C@@H]2C)c2ccccc2n1C ZINC001233270406 1312890497 /nfs/dbraw/zinc/89/04/97/1312890497.db2.gz MOUZPESULBVATD-LSDHHAIUSA-N 0 3 344.455 2.948 20 10 EFCDHN CCOC(=O)c1c(CN2CCC[C@@](C)(O)C2)c2ccccc2n1C ZINC001233272434 1312891182 /nfs/dbraw/zinc/89/11/82/1312891182.db2.gz LERUSHCAAVFYAS-LJQANCHMSA-N 0 3 330.428 2.702 20 10 EFCDHN CCOC(=O)c1c(CN2CCN(C)C(C)(C)C2)c2ccccc2n1C ZINC001233273061 1312891263 /nfs/dbraw/zinc/89/12/63/1312891263.db2.gz MKDYNVAEIAGPQB-UHFFFAOYSA-N 0 3 343.471 2.881 20 10 EFCDHN CCOC(=O)c1c(CN2CC[C@@H]3OCC[C@@H]3C2)c2ccccc2n1C ZINC001233272862 1312891273 /nfs/dbraw/zinc/89/12/73/1312891273.db2.gz FGNBJVRBJPVWHD-KDOFPFPSSA-N 0 3 342.439 2.966 20 10 EFCDHN COc1cc(Cl)cc(C[N@@H+]2CCCC[C@]23CC(=O)N(C)C3)c1[O-] ZINC001233288775 1312896343 /nfs/dbraw/zinc/89/63/43/1312896343.db2.gz WUUZHOFUGIBWMY-QGZVFWFLSA-N 0 3 338.835 2.641 20 10 EFCDHN COc1cc(Cl)cc(C[N@H+]2CCCC[C@]23CC(=O)N(C)C3)c1[O-] ZINC001233288775 1312896348 /nfs/dbraw/zinc/89/63/48/1312896348.db2.gz WUUZHOFUGIBWMY-QGZVFWFLSA-N 0 3 338.835 2.641 20 10 EFCDHN COC(=O)CC1CC[NH+](Cc2cc(Cl)cc(OC)c2[O-])CC1 ZINC001233288139 1312896442 /nfs/dbraw/zinc/89/64/42/1312896442.db2.gz YSJADWQCYNEGRV-UHFFFAOYSA-N 0 3 327.808 2.829 20 10 EFCDHN COC(=O)CC1CCN(Cc2cc(Cl)cc(OC)c2O)CC1 ZINC001233288139 1312896446 /nfs/dbraw/zinc/89/64/46/1312896446.db2.gz YSJADWQCYNEGRV-UHFFFAOYSA-N 0 3 327.808 2.829 20 10 EFCDHN C[C@H](NCc1cnc(N2CCOCC2)s1)c1ccc(N(C)C)cc1 ZINC000775363166 1292036106 /nfs/dbraw/zinc/03/61/06/1292036106.db2.gz KWJVLKGGHHHGGD-AWEZNQCLSA-N 0 3 346.500 2.897 20 10 EFCDHN COc1ccc(O)c([C@@H](C)NCC(=O)NCCCc2ccccc2)c1 ZINC000775370802 1292082028 /nfs/dbraw/zinc/08/20/28/1292082028.db2.gz RWTPRBJUEGGJOI-OAHLLOKOSA-N 0 3 342.439 2.800 20 10 EFCDHN C[C@@H]([NH2+]CC(=O)NCCO[C@H]1CCCC[C@@H]1C)c1ccccc1[O-] ZINC000879648221 1292217584 /nfs/dbraw/zinc/21/75/84/1292217584.db2.gz FKRQIHGIXHAVRN-DAYGRLMNSA-N 0 3 334.460 2.754 20 10 EFCDHN C[C@@H]([NH2+]CC(=O)Nc1cc(C(C)(C)C)nn1C)c1ccccc1[O-] ZINC000879648169 1292217639 /nfs/dbraw/zinc/21/76/39/1292217639.db2.gz BAOPTEMCHBVTME-GFCCVEGCSA-N 0 3 330.432 2.713 20 10 EFCDHN C[C@@H]([NH2+]CC(=O)Nc1ccnn1C1CCCC1)c1ccccc1[O-] ZINC000879648246 1292218063 /nfs/dbraw/zinc/21/80/63/1292218063.db2.gz GKUSITWIEJIRQX-CYBMUJFWSA-N 0 3 328.416 2.993 20 10 EFCDHN C[C@@H]([NH2+][C@@H](C)C(=O)NC(=O)NC1CCCCC1)c1ccccc1[O-] ZINC000879648421 1292218208 /nfs/dbraw/zinc/21/82/08/1292218208.db2.gz OFCFLQXDRAPDDW-OLZOCXBDSA-N 0 3 333.432 2.590 20 10 EFCDHN CCOCc1ccccc1CNC(=O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000879648612 1292218672 /nfs/dbraw/zinc/21/86/72/1292218672.db2.gz WHJIMECZSMPSBZ-OAHLLOKOSA-N 0 3 342.439 2.896 20 10 EFCDHN COC(=O)c1ccc(C)c(NC(=O)C[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000879648331 1292218993 /nfs/dbraw/zinc/21/89/93/1292218993.db2.gz KEHGQUCUSJPEEA-CYBMUJFWSA-N 0 3 342.395 2.777 20 10 EFCDHN CC[C@@H]([NH2+]Cc1cccc(S(=O)(=O)N(C)C)c1)c1ccccc1[O-] ZINC000775415797 1292337999 /nfs/dbraw/zinc/33/79/99/1292337999.db2.gz QIKMCTFKUCLPJC-QGZVFWFLSA-N 0 3 348.468 2.883 20 10 EFCDHN COC[C@H](C)N(Cc1cccc(OC)c1)Cc1cc(O)c(O)cc1O ZINC001233486404 1312940455 /nfs/dbraw/zinc/94/04/55/1312940455.db2.gz LXKAXHZIIWDMHX-ZDUSSCGKSA-N 0 3 347.411 2.849 20 10 EFCDHN Cc1cccc(O[C@H]2CCCN(Cc3cc(O)c(O)cc3O)C2)n1 ZINC001233487623 1312941411 /nfs/dbraw/zinc/94/14/11/1312941411.db2.gz LQZNVOLLFNMATK-AWEZNQCLSA-N 0 3 330.384 2.550 20 10 EFCDHN Cc1cccc(O[C@@H]2CCCN(Cc3cc(O)c(O)cc3O)C2)n1 ZINC001233487624 1312941773 /nfs/dbraw/zinc/94/17/73/1312941773.db2.gz LQZNVOLLFNMATK-CQSZACIVSA-N 0 3 330.384 2.550 20 10 EFCDHN Cc1cc(C(=O)Cn2cc([C@H](C)N)nn2)c(C)n1-c1ccccc1C ZINC000881228030 1292792476 /nfs/dbraw/zinc/79/24/76/1292792476.db2.gz MSSRGXVFNWGAOK-AWEZNQCLSA-N 0 3 337.427 2.897 20 10 EFCDHN Cn1ccc(CN2CCCC23CC[NH+](Cc2ccccc2[O-])CC3)n1 ZINC001203552216 1312953915 /nfs/dbraw/zinc/95/39/15/1312953915.db2.gz FGYQDNDIIYEQGT-UHFFFAOYSA-N 0 3 340.471 2.756 20 10 EFCDHN [O-]c1ccccc1C[N@@H+]1CC[C@H]2[C@@H](CCN2Cc2nccs2)C1 ZINC001203552242 1312954212 /nfs/dbraw/zinc/95/42/12/1312954212.db2.gz GADMBYIATGWHEB-HOCLYGCPSA-N 0 3 329.469 2.945 20 10 EFCDHN [O-]c1ccccc1C[N@H+]1CC[C@H]2[C@@H](CCN2Cc2nccs2)C1 ZINC001203552242 1312954215 /nfs/dbraw/zinc/95/42/15/1312954215.db2.gz GADMBYIATGWHEB-HOCLYGCPSA-N 0 3 329.469 2.945 20 10 EFCDHN O=C1[C@@H]2C[N@H+](Cc3ccccc3[O-])C[C@H]2CN1Cc1cccc(F)c1 ZINC001203551817 1312954289 /nfs/dbraw/zinc/95/42/89/1312954289.db2.gz PBPWWKJDVRYMIS-FUHWJXTLSA-N 0 3 340.398 2.622 20 10 EFCDHN O=C1[C@@H]2C[N@@H+](Cc3ccccc3[O-])C[C@H]2CN1Cc1cccc(F)c1 ZINC001203551817 1312954293 /nfs/dbraw/zinc/95/42/93/1312954293.db2.gz PBPWWKJDVRYMIS-FUHWJXTLSA-N 0 3 340.398 2.622 20 10 EFCDHN Oc1ccccc1CN1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@H]21 ZINC001203552595 1312954302 /nfs/dbraw/zinc/95/43/02/1312954302.db2.gz OOUWLCOPJGGPTI-SZVBFZGTSA-N 0 3 340.423 2.846 20 10 EFCDHN CC[C@@H]1[N@H+](Cc2ccccc2[O-])CCC[C@]12CCC(=O)N2CCOC ZINC001203551915 1312954562 /nfs/dbraw/zinc/95/45/62/1312954562.db2.gz SKMUIPLSAQPNAP-ICSRJNTNSA-N 0 3 346.471 2.774 20 10 EFCDHN CC[C@@H]1[N@@H+](Cc2ccccc2[O-])CCC[C@]12CCC(=O)N2CCOC ZINC001203551915 1312954566 /nfs/dbraw/zinc/95/45/66/1312954566.db2.gz SKMUIPLSAQPNAP-ICSRJNTNSA-N 0 3 346.471 2.774 20 10 EFCDHN [O-]c1ccccc1C[N@@H+]1CCc2ncnc(-c3cccnc3)c2CC1 ZINC001203552484 1312954600 /nfs/dbraw/zinc/95/46/00/1312954600.db2.gz MQQPHNRGZNCXBA-UHFFFAOYSA-N 0 3 332.407 2.845 20 10 EFCDHN [O-]c1ccccc1C[N@H+]1CCc2ncnc(-c3cccnc3)c2CC1 ZINC001203552484 1312954603 /nfs/dbraw/zinc/95/46/03/1312954603.db2.gz MQQPHNRGZNCXBA-UHFFFAOYSA-N 0 3 332.407 2.845 20 10 EFCDHN CC(C)C(=O)N[C@H]1COCCC12CC[NH+](Cc1ccccc1[O-])CC2 ZINC001203552351 1312954610 /nfs/dbraw/zinc/95/46/10/1312954610.db2.gz KVUWTKZJGFUBPB-SFHVURJKSA-N 0 3 346.471 2.536 20 10 EFCDHN Cc1nc(CN2CCC3(C[NH+](Cc4ccccc4[O-])C3)C2)cs1 ZINC001203553003 1312954928 /nfs/dbraw/zinc/95/49/28/1312954928.db2.gz XVZOFGTYDJOKJF-UHFFFAOYSA-N 0 3 329.469 2.865 20 10 EFCDHN CO[C@H](CN1CCN(Cc2ccccc2O)CC1)c1ccccc1 ZINC001203558641 1312956058 /nfs/dbraw/zinc/95/60/58/1312956058.db2.gz RSOJHLZTBZQXCJ-HXUWFJFHSA-N 0 3 326.440 2.898 20 10 EFCDHN COc1cccc(CN2CC(CCNC(=O)OC(C)(C)C)C2)c1O ZINC001203596897 1312966739 /nfs/dbraw/zinc/96/67/39/1312966739.db2.gz SPNMTQRZZXHROH-UHFFFAOYSA-N 0 3 336.432 2.747 20 10 EFCDHN COc1cccc(CN2CCC[C@H](Oc3nccnc3C)C2)c1O ZINC001203601884 1312968312 /nfs/dbraw/zinc/96/83/12/1312968312.db2.gz PNEVTMRBOYJLHW-HNNXBMFYSA-N 0 3 329.400 2.543 20 10 EFCDHN COc1ccc(CN2C[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]32)c(O)c1 ZINC001203621879 1312973376 /nfs/dbraw/zinc/97/33/76/1312973376.db2.gz JGLLKJZTFMYQCB-HOCLYGCPSA-N 0 3 348.443 2.842 20 10 EFCDHN COc1ccc(C[N@@H+]2C[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]32)c([O-])c1 ZINC001203621879 1312973378 /nfs/dbraw/zinc/97/33/78/1312973378.db2.gz JGLLKJZTFMYQCB-HOCLYGCPSA-N 0 3 348.443 2.842 20 10 EFCDHN COc1ccc(C[N@H+]2C[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]32)c([O-])c1 ZINC001203621879 1312973381 /nfs/dbraw/zinc/97/33/81/1312973381.db2.gz JGLLKJZTFMYQCB-HOCLYGCPSA-N 0 3 348.443 2.842 20 10 EFCDHN COc1ccc(CN2C[C@@H](NC(=O)OC(C)(C)C)C3(CC3)C2)c(O)c1 ZINC001203620801 1312973596 /nfs/dbraw/zinc/97/35/96/1312973596.db2.gz ITAYJJFMWGYEFG-MRXNPFEDSA-N 0 3 348.443 2.890 20 10 EFCDHN CC[C@@H]1[N@H+](Cc2ccc(OC)cc2[O-])CCC[C@]12CCC(=O)N2C ZINC001203622928 1312973958 /nfs/dbraw/zinc/97/39/58/1312973958.db2.gz FUFMVJUZABNDQG-HKUYNNGSSA-N 0 3 332.444 2.766 20 10 EFCDHN CC[C@@H]1[N@@H+](Cc2ccc(OC)cc2[O-])CCC[C@]12CCC(=O)N2C ZINC001203622928 1312973960 /nfs/dbraw/zinc/97/39/60/1312973960.db2.gz FUFMVJUZABNDQG-HKUYNNGSSA-N 0 3 332.444 2.766 20 10 EFCDHN COc1ccc(C[N@@H+]2CCC[C@]3(CCN(CC4CC4)C3=O)C2)c([O-])c1 ZINC001203623430 1312974080 /nfs/dbraw/zinc/97/40/80/1312974080.db2.gz QJZKZZIJNWLANA-FQEVSTJZSA-N 0 3 344.455 2.625 20 10 EFCDHN COc1ccc(C[N@H+]2CCC[C@]3(CCN(CC4CC4)C3=O)C2)c([O-])c1 ZINC001203623430 1312974084 /nfs/dbraw/zinc/97/40/84/1312974084.db2.gz QJZKZZIJNWLANA-FQEVSTJZSA-N 0 3 344.455 2.625 20 10 EFCDHN COc1ccc(C[N@@H+]2CC[C@@]3(C2)c2ccccc2N(C)C3=O)c([O-])c1 ZINC001203628645 1312975524 /nfs/dbraw/zinc/97/55/24/1312975524.db2.gz DKIAVGVOIKJZSI-HXUWFJFHSA-N 0 3 338.407 2.521 20 10 EFCDHN COc1ccc(C[N@H+]2CC[C@@]3(C2)c2ccccc2N(C)C3=O)c([O-])c1 ZINC001203628645 1312975528 /nfs/dbraw/zinc/97/55/28/1312975528.db2.gz DKIAVGVOIKJZSI-HXUWFJFHSA-N 0 3 338.407 2.521 20 10 EFCDHN COc1ccc(C[NH+]2CCC(C)(C(=O)N3CCCC3)CC2)c([O-])c1 ZINC001203627814 1312975771 /nfs/dbraw/zinc/97/57/71/1312975771.db2.gz QHBBLFKCVSWFFE-UHFFFAOYSA-N 0 3 332.444 2.625 20 10 EFCDHN COc1ccc(C[N@@H+]2CCC[C@H](Oc3nccc(C)n3)C2)c([O-])c1 ZINC001203635324 1312977638 /nfs/dbraw/zinc/97/76/38/1312977638.db2.gz PRGJBWZGDPDDDP-INIZCTEOSA-N 0 3 329.400 2.543 20 10 EFCDHN COc1ccc(C[N@H+]2CCC[C@H](Oc3nccc(C)n3)C2)c([O-])c1 ZINC001203635324 1312977641 /nfs/dbraw/zinc/97/76/41/1312977641.db2.gz PRGJBWZGDPDDDP-INIZCTEOSA-N 0 3 329.400 2.543 20 10 EFCDHN COc1ccc(C[N@@H+]2CCC[C@H](Oc3ncc(C)cn3)C2)c([O-])c1 ZINC001203635442 1312977687 /nfs/dbraw/zinc/97/76/87/1312977687.db2.gz VCHPUJIIFUHNAA-INIZCTEOSA-N 0 3 329.400 2.543 20 10 EFCDHN COc1ccc(C[N@H+]2CCC[C@H](Oc3ncc(C)cn3)C2)c([O-])c1 ZINC001203635442 1312977689 /nfs/dbraw/zinc/97/76/89/1312977689.db2.gz VCHPUJIIFUHNAA-INIZCTEOSA-N 0 3 329.400 2.543 20 10 EFCDHN COc1ccc(C[NH+]2CCC(NC(=O)N3CCCCC3)CC2)c([O-])c1 ZINC001203634591 1312977707 /nfs/dbraw/zinc/97/77/07/1312977707.db2.gz MVMFSYDQZLSPOG-UHFFFAOYSA-N 0 3 347.459 2.561 20 10 EFCDHN OC[C@@H]1CN(Cc2cccc(OC(F)(F)F)c2O)CCC1(F)F ZINC001233727643 1312978469 /nfs/dbraw/zinc/97/84/69/1312978469.db2.gz NUFQYZFKFDUVSG-JTQLQIEISA-N 0 3 341.276 2.740 20 10 EFCDHN [O-]c1ccc(Br)cc1CN1CCC([NH+]2CCC2)CC1 ZINC001203648101 1312979926 /nfs/dbraw/zinc/97/99/26/1312979926.db2.gz DDEUYZWBFHPDKG-UHFFFAOYSA-N 0 3 325.250 2.825 20 10 EFCDHN CN(C)C(=O)[C@@H]1CCC[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])C1 ZINC001233754826 1312984293 /nfs/dbraw/zinc/98/42/93/1312984293.db2.gz LZMNIFOVBDYOGJ-GFCCVEGCSA-N 0 3 346.349 2.591 20 10 EFCDHN CN(C)C(=O)[C@@H]1CCC[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])C1 ZINC001233754826 1312984297 /nfs/dbraw/zinc/98/42/97/1312984297.db2.gz LZMNIFOVBDYOGJ-GFCCVEGCSA-N 0 3 346.349 2.591 20 10 EFCDHN C[C@@H]1C[C@H]([NH2+]CCCCCS(C)(=O)=O)c2c1c(F)ccc2[O-] ZINC000775585769 1293224263 /nfs/dbraw/zinc/22/42/63/1293224263.db2.gz IUFCWDJZBWFJSY-YPMHNXCESA-N 0 3 329.437 2.884 20 10 EFCDHN CC(=O)N(C)C1CC[NH+](Cc2cccc(OC(F)(F)F)c2[O-])CC1 ZINC001233768302 1312987515 /nfs/dbraw/zinc/98/75/15/1312987515.db2.gz ORVRZRRXPCAHMV-UHFFFAOYSA-N 0 3 346.349 2.734 20 10 EFCDHN [O-]c1c(C[N@H+]2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)cccc1OC(F)(F)F ZINC001233768536 1312987553 /nfs/dbraw/zinc/98/75/53/1312987553.db2.gz TWFWJIBNXOBJEP-FNFFVJSTSA-N 0 3 329.318 2.900 20 10 EFCDHN [O-]c1c(C[N@@H+]2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)cccc1OC(F)(F)F ZINC001233768536 1312987556 /nfs/dbraw/zinc/98/75/56/1312987556.db2.gz TWFWJIBNXOBJEP-FNFFVJSTSA-N 0 3 329.318 2.900 20 10 EFCDHN COc1ccc(O)c(CN2CCC[C@H](Oc3cc(C)ncn3)C2)c1 ZINC001203680606 1312988807 /nfs/dbraw/zinc/98/88/07/1312988807.db2.gz ABSUJRQBMIRMMI-INIZCTEOSA-N 0 3 329.400 2.543 20 10 EFCDHN COc1ccc(O)c(CN2CCC[C@@H](Oc3nccnc3C)C2)c1 ZINC001203681372 1312989229 /nfs/dbraw/zinc/98/92/29/1312989229.db2.gz VIBCOIYITSXBGZ-MRXNPFEDSA-N 0 3 329.400 2.543 20 10 EFCDHN [O-]c1c(F)cc(F)cc1C[NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1 ZINC000883049068 1293442693 /nfs/dbraw/zinc/44/26/93/1293442693.db2.gz CIINWIHBVDUHCI-SJORKVTESA-N 0 3 340.414 2.528 20 10 EFCDHN CN(C)c1ccc(CN2CCC(NC(=O)N3CCCCC3)CC2)cc1 ZINC001203936641 1313051494 /nfs/dbraw/zinc/05/14/94/1313051494.db2.gz INRCVWYOXHDCLE-UHFFFAOYSA-N 0 3 344.503 2.913 20 10 EFCDHN Cc1cc(O[C@@H]2CCCN(Cc3ccc(N(C)C)cc3)C2)ncn1 ZINC001203937213 1313051737 /nfs/dbraw/zinc/05/17/37/1313051737.db2.gz OXUNMLYDOZJBCE-GOSISDBHSA-N 0 3 326.444 2.894 20 10 EFCDHN COc1cnc(OC2CCN(Cc3ccc(N(C)C)cc3)CC2)nc1 ZINC001203936788 1313051882 /nfs/dbraw/zinc/05/18/82/1313051882.db2.gz NMIUHHKUQPUMRM-UHFFFAOYSA-N 0 3 342.443 2.595 20 10 EFCDHN C[C@H](NCc1ccc2c(c1)CCN2Cc1ccccc1)C(=O)N(C)C ZINC000796355870 1294543311 /nfs/dbraw/zinc/54/33/11/1294543311.db2.gz HQCOBLAQVFIVOM-INIZCTEOSA-N 0 3 337.467 2.816 20 10 EFCDHN [O-]c1cccc(F)c1C[NH+]1CCC2(CCN(Cc3cn[nH]c3)C2)CC1 ZINC001276354557 1294572312 /nfs/dbraw/zinc/57/23/12/1294572312.db2.gz XIHCVVKNRMNYMT-UHFFFAOYSA-N 0 3 344.434 2.743 20 10 EFCDHN CN(C)C[C@@H]1CN(Cc2ccc(N(C)C)c3ccccc23)CCO1 ZINC001204236974 1313105896 /nfs/dbraw/zinc/10/58/96/1313105896.db2.gz YVSGTOBOWICHTJ-QGZVFWFLSA-N 0 3 327.472 2.668 20 10 EFCDHN [O-]c1cc(O)ccc1C[N@@H+]1CC[C@@H]2[C@@H](CCN2Cc2nccs2)C1 ZINC001204274568 1313113208 /nfs/dbraw/zinc/11/32/08/1313113208.db2.gz PBNTUHZFEWENEF-XJKSGUPXSA-N 0 3 345.468 2.651 20 10 EFCDHN [O-]c1cc(O)ccc1C[N@H+]1CC[C@@H]2[C@@H](CCN2Cc2nccs2)C1 ZINC001204274568 1313113211 /nfs/dbraw/zinc/11/32/11/1313113211.db2.gz PBNTUHZFEWENEF-XJKSGUPXSA-N 0 3 345.468 2.651 20 10 EFCDHN O=C1N[C@H](c2ccccc2)C12CC[NH+](Cc1ccc(O)cc1[O-])CC2 ZINC001204274754 1313113217 /nfs/dbraw/zinc/11/32/17/1313113217.db2.gz IMJGYAODMFQKSF-GOSISDBHSA-N 0 3 338.407 2.551 20 10 EFCDHN [O-]c1cc(O)ccc1C[N@@H+]1CCc2ncnc(-c3cccnc3)c2CC1 ZINC001204274822 1313113752 /nfs/dbraw/zinc/11/37/52/1313113752.db2.gz UETBGJNKDXZSAG-UHFFFAOYSA-N 0 3 348.406 2.551 20 10 EFCDHN [O-]c1cc(O)ccc1C[N@H+]1CCc2ncnc(-c3cccnc3)c2CC1 ZINC001204274822 1313113756 /nfs/dbraw/zinc/11/37/56/1313113756.db2.gz UETBGJNKDXZSAG-UHFFFAOYSA-N 0 3 348.406 2.551 20 10 EFCDHN CC(C)(C)OC(=O)N[C@H]1CCCC[N@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204276312 1313114327 /nfs/dbraw/zinc/11/43/27/1313114327.db2.gz KDBRIQAUWRRTJN-AWEZNQCLSA-N 0 3 336.432 2.977 20 10 EFCDHN CC(C)(C)OC(=O)N[C@H]1CCCC[N@@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204276312 1313114328 /nfs/dbraw/zinc/11/43/28/1313114328.db2.gz KDBRIQAUWRRTJN-AWEZNQCLSA-N 0 3 336.432 2.977 20 10 EFCDHN CC(C)(C)OC(=O)N1C[C@@H]2CCN(Cc3ccc(O)cc3O)C[C@@H]21 ZINC001204276723 1313114444 /nfs/dbraw/zinc/11/44/44/1313114444.db2.gz PDMPFKYIEJBPPR-WFASDCNBSA-N 0 3 334.416 2.539 20 10 EFCDHN CC(C)(C)OC(=O)NCC[C@@H]1CCC[N@@H+]1Cc1ccc(O)cc1[O-] ZINC001204279423 1313115104 /nfs/dbraw/zinc/11/51/04/1313115104.db2.gz YQWOCLYSIFULCG-AWEZNQCLSA-N 0 3 336.432 2.977 20 10 EFCDHN CC(C)(C)OC(=O)NCC[C@@H]1CCC[N@H+]1Cc1ccc(O)cc1[O-] ZINC001204279423 1313115106 /nfs/dbraw/zinc/11/51/06/1313115106.db2.gz YQWOCLYSIFULCG-AWEZNQCLSA-N 0 3 336.432 2.977 20 10 EFCDHN COc1cccc(O[C@@H]2CCC[N@H+](Cc3ccc(O)cc3[O-])C2)n1 ZINC001204278254 1313115197 /nfs/dbraw/zinc/11/51/97/1313115197.db2.gz ZXJRMYNXKGMZBP-OAHLLOKOSA-N 0 3 330.384 2.545 20 10 EFCDHN COc1cccc(O[C@@H]2CCC[N@@H+](Cc3ccc(O)cc3[O-])C2)n1 ZINC001204278254 1313115200 /nfs/dbraw/zinc/11/52/00/1313115200.db2.gz ZXJRMYNXKGMZBP-OAHLLOKOSA-N 0 3 330.384 2.545 20 10 EFCDHN C[C@@H]1CCN(Cc2ccc(O)cc2O)C[C@@H]1NC(=O)OC(C)(C)C ZINC001204278255 1313115438 /nfs/dbraw/zinc/11/54/38/1313115438.db2.gz ZXWWJDQOWHNXEP-DOMZBBRYSA-N 0 3 336.432 2.833 20 10 EFCDHN C[C@H](NCC(=O)NC(=O)NC1CCCCC1)c1ccc(N(C)C)cc1 ZINC000775835626 1294965202 /nfs/dbraw/zinc/96/52/02/1294965202.db2.gz HGEKZJFIQLSIMV-AWEZNQCLSA-N 0 3 346.475 2.562 20 10 EFCDHN C[C@@H]([NH2+]Cc1ccnc(N2CCN(C)CC2)c1)c1c([O-])cccc1F ZINC000886505108 1294996160 /nfs/dbraw/zinc/99/61/60/1294996160.db2.gz LHYWWMLATRHNIU-CQSZACIVSA-N 0 3 344.434 2.529 20 10 EFCDHN CN1CCC2(CCN(Cc3ccc(N4CCCC4)cc3)CC2)C1=O ZINC001204328277 1313123164 /nfs/dbraw/zinc/12/31/64/1313123164.db2.gz FVOHECNXEFYAFI-UHFFFAOYSA-N 0 3 327.472 2.731 20 10 EFCDHN COc1cc(CN2CC[C@H](N3CCCCC3)[C@@H](F)C2)cc(O)c1O ZINC001204350276 1313127082 /nfs/dbraw/zinc/12/70/82/1313127082.db2.gz FNAUWMMMPYUIMR-GJZGRUSLSA-N 0 3 338.423 2.505 20 10 EFCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCC[C@]4(CCNC4=O)C3)c2c1 ZINC001234536463 1313149414 /nfs/dbraw/zinc/14/94/14/1313149414.db2.gz PASKVEGXMSCTGH-FQEVSTJZSA-N 0 3 340.423 2.656 20 10 EFCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCC[C@]4(CCNC4=O)C3)c2c1 ZINC001234536463 1313149417 /nfs/dbraw/zinc/14/94/17/1313149417.db2.gz PASKVEGXMSCTGH-FQEVSTJZSA-N 0 3 340.423 2.656 20 10 EFCDHN COc1ccc2ccc([O-])c(C[NH+]3CCC(n4cnnc4)CC3)c2c1 ZINC001234562857 1313158720 /nfs/dbraw/zinc/15/87/20/1313158720.db2.gz WGFFIXFRTYXMMH-UHFFFAOYSA-N 0 3 338.411 2.983 20 10 EFCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCC(=O)N4CCC[C@@H]4C3)c2c1 ZINC001234569671 1313160632 /nfs/dbraw/zinc/16/06/32/1313160632.db2.gz QFUGESRJEJEQBD-OAHLLOKOSA-N 0 3 340.423 2.751 20 10 EFCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCC(=O)N4CCC[C@@H]4C3)c2c1 ZINC001234569671 1313160635 /nfs/dbraw/zinc/16/06/35/1313160635.db2.gz QFUGESRJEJEQBD-OAHLLOKOSA-N 0 3 340.423 2.751 20 10 EFCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@@H](N(C)C(C)=O)C3)c2c1 ZINC001234569947 1313160809 /nfs/dbraw/zinc/16/08/09/1313160809.db2.gz UYTQQJNOSNCIJS-OAHLLOKOSA-N 0 3 328.412 2.607 20 10 EFCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@@H](N(C)C(C)=O)C3)c2c1 ZINC001234569947 1313160811 /nfs/dbraw/zinc/16/08/11/1313160811.db2.gz UYTQQJNOSNCIJS-OAHLLOKOSA-N 0 3 328.412 2.607 20 10 EFCDHN CCO[C@@H]1C[C@H]([NH2+]Cc2cc(Br)cc(C)c2[O-])[C@H]1OC ZINC000775978387 1295540379 /nfs/dbraw/zinc/54/03/79/1295540379.db2.gz KRTQOXIAAVSCES-GZBFAFLISA-N 0 3 344.249 2.745 20 10 EFCDHN COC(=O)[C@H]1C[N@H+](Cc2c([O-])ccc3ccc(OC)cc32)CC12CC2 ZINC001234577179 1313162054 /nfs/dbraw/zinc/16/20/54/1313162054.db2.gz AYYLZDOQQUDRAJ-QGZVFWFLSA-N 0 3 341.407 2.939 20 10 EFCDHN COC(=O)[C@H]1C[N@@H+](Cc2c([O-])ccc3ccc(OC)cc32)CC12CC2 ZINC001234577179 1313162058 /nfs/dbraw/zinc/16/20/58/1313162058.db2.gz AYYLZDOQQUDRAJ-QGZVFWFLSA-N 0 3 341.407 2.939 20 10 EFCDHN CCN1CCN(c2ccc(OCC[C@H]3COC(C)(C)O3)cc2)CC1 ZINC001234657219 1313178682 /nfs/dbraw/zinc/17/86/82/1313178682.db2.gz COHSMEGITWSQLJ-SFHVURJKSA-N 0 3 334.460 2.749 20 10 EFCDHN CCN1CCN(c2ccc(O[C@@H]3CCC[C@H](C(=O)OC)C3)cc2)CC1 ZINC001234660378 1313179414 /nfs/dbraw/zinc/17/94/14/1313179414.db2.gz HFVZMJVVSDEQML-QFBILLFUSA-N 0 3 346.471 2.939 20 10 EFCDHN CCC[C@H](Oc1ccc(N2CCN(CC)CC2)cc1)C(=O)OCC ZINC001234658130 1313179469 /nfs/dbraw/zinc/17/94/69/1313179469.db2.gz VAUJRFSBYGAWHI-SFHVURJKSA-N 0 3 334.460 2.939 20 10 EFCDHN CC[C@](C)(CCO)[NH2+]Cc1cc(Br)cc(OC)c1[O-] ZINC000305049869 1295856963 /nfs/dbraw/zinc/85/69/63/1295856963.db2.gz GSFWXHYPQSBKJL-CQSZACIVSA-N 0 3 332.238 2.804 20 10 EFCDHN C[C@@H](NC[C@H](O)c1ccco1)c1ccc(N2CCOCC2)c(F)c1 ZINC000305075526 1295875317 /nfs/dbraw/zinc/87/53/17/1295875317.db2.gz NPEUEAWSAXLFOZ-DYVFJYSZSA-N 0 3 334.391 2.640 20 10 EFCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@]2(CCN(CC(F)(F)F)C2=O)C1 ZINC001274301941 1296055403 /nfs/dbraw/zinc/05/54/03/1296055403.db2.gz VVJJEEJERQTYAU-MRXNPFEDSA-N 0 3 342.361 2.687 20 10 EFCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@]2(CCN(CC(F)(F)F)C2=O)C1 ZINC001274301941 1296055408 /nfs/dbraw/zinc/05/54/08/1296055408.db2.gz VVJJEEJERQTYAU-MRXNPFEDSA-N 0 3 342.361 2.687 20 10 EFCDHN COc1cc(C)c(C[N@@H+]2CCC[C@@]3(CCN(C)C3=O)CC2)c([O-])c1 ZINC001274660273 1296132462 /nfs/dbraw/zinc/13/24/62/1296132462.db2.gz HAILGSXXZULQBB-LJQANCHMSA-N 0 3 332.444 2.544 20 10 EFCDHN COc1cc(C)c(C[N@H+]2CCC[C@@]3(CCN(C)C3=O)CC2)c([O-])c1 ZINC001274660273 1296132465 /nfs/dbraw/zinc/13/24/65/1296132465.db2.gz HAILGSXXZULQBB-LJQANCHMSA-N 0 3 332.444 2.544 20 10 EFCDHN CNC(=O)NC1CC[NH+](Cc2cccc(-c3ccccc3)c2[O-])CC1 ZINC001234997980 1313219792 /nfs/dbraw/zinc/21/97/92/1313219792.db2.gz GQWWNGQCDLPJNL-UHFFFAOYSA-N 0 3 339.439 2.953 20 10 EFCDHN CC1=CCC=C[C@@H]1C(=O)N1CCC2(CN(Cc3ccccc3O)C2)C1 ZINC001275267251 1296246508 /nfs/dbraw/zinc/24/65/08/1296246508.db2.gz ZZEMSSIGQAVMHG-SFHVURJKSA-N 0 3 338.451 2.949 20 10 EFCDHN O=C(Nc1cccnc1)N1CCC2(CN(Cc3ccccc3O)C2)C1 ZINC001275267610 1296246673 /nfs/dbraw/zinc/24/66/73/1296246673.db2.gz SVQHUTUFWKHWQH-UHFFFAOYSA-N 0 3 338.411 2.527 20 10 EFCDHN Cc1cc(CN2CCC[C@@]23CC[NH2+]C3)c([O-])cc1Br ZINC001235116861 1313245494 /nfs/dbraw/zinc/24/54/94/1313245494.db2.gz ZLYSSAODQPJPAJ-HNNXBMFYSA-N 0 3 325.250 2.791 20 10 EFCDHN CC(C)(C)c1ccc(CN2CCN(C[C@H]3CCCO3)CC2)c(O)c1 ZINC001235686042 1313375330 /nfs/dbraw/zinc/37/53/30/1313375330.db2.gz WSYPIJIYNBOKRM-GOSISDBHSA-N 0 3 332.488 2.986 20 10 EFCDHN COCCOc1ccccc1N1CCN(Cc2ccccc2O)CC1 ZINC000779025559 1297745760 /nfs/dbraw/zinc/74/57/60/1297745760.db2.gz OLOFUOGNZHMUBB-UHFFFAOYSA-N 0 3 342.439 2.740 20 10 EFCDHN Cc1cc(Br)c([O-])c(CN2C[C@@H]3CCC[N@@H+](C)[C@@H]3C2)c1 ZINC001236668658 1313506611 /nfs/dbraw/zinc/50/66/11/1313506611.db2.gz DJCZDRKOQYXPCO-SWLSCSKDSA-N 0 3 339.277 2.989 20 10 EFCDHN Cc1cc(Br)c([O-])c(CN2C[C@@H]3CCC[N@H+](C)[C@@H]3C2)c1 ZINC001236668658 1313506613 /nfs/dbraw/zinc/50/66/13/1313506613.db2.gz DJCZDRKOQYXPCO-SWLSCSKDSA-N 0 3 339.277 2.989 20 10 EFCDHN Cc1cc(Br)c([O-])c(C[N@H+]2C[C@@H]3CCCN(C)[C@@H]3C2)c1 ZINC001236668658 1313506617 /nfs/dbraw/zinc/50/66/17/1313506617.db2.gz DJCZDRKOQYXPCO-SWLSCSKDSA-N 0 3 339.277 2.989 20 10 EFCDHN Cc1cc(Br)c([O-])c(C[N@@H+]2C[C@@H]3CCCN(C)[C@@H]3C2)c1 ZINC001236668658 1313506619 /nfs/dbraw/zinc/50/66/19/1313506619.db2.gz DJCZDRKOQYXPCO-SWLSCSKDSA-N 0 3 339.277 2.989 20 10 EFCDHN COc1cc(CN2CCC[C@H](CO)CC2)c(O)cc1Br ZINC001236748051 1313520964 /nfs/dbraw/zinc/52/09/64/1313520964.db2.gz KHNYLHKSGWHRJX-NSHDSACASA-N 0 3 344.249 2.758 20 10 EFCDHN COc1cc(C[N@@H+]2CCC[C@H](CO)CC2)c([O-])cc1Br ZINC001236748051 1313520965 /nfs/dbraw/zinc/52/09/65/1313520965.db2.gz KHNYLHKSGWHRJX-NSHDSACASA-N 0 3 344.249 2.758 20 10 EFCDHN COc1cc(C[N@H+]2CCC[C@H](CO)CC2)c([O-])cc1Br ZINC001236748051 1313520967 /nfs/dbraw/zinc/52/09/67/1313520967.db2.gz KHNYLHKSGWHRJX-NSHDSACASA-N 0 3 344.249 2.758 20 10 EFCDHN COc1cc(O)c(CN2CC[C@](O)(C(F)(F)F)[C@H](C)C2)cc1OC ZINC001236748999 1313521622 /nfs/dbraw/zinc/52/16/22/1313521622.db2.gz DGVHDPOOJKCXGW-MEBBXXQBSA-N 0 3 349.349 2.545 20 10 EFCDHN [O-]c1cc(CN2CC[C@H]([NH+]3CCCC3)C2)c(O)cc1Br ZINC001236763386 1313524247 /nfs/dbraw/zinc/52/42/47/1313524247.db2.gz YNZHBUCUMYJBBN-LBPRGKRZSA-N 0 3 341.249 2.530 20 10 EFCDHN [O-]c1cc(CN2CCC[N@@H+]3CCC[C@H]3C2)c(O)cc1Br ZINC001236770965 1313526051 /nfs/dbraw/zinc/52/60/51/1313526051.db2.gz MMBUWWYKADTGKO-LBPRGKRZSA-N 0 3 341.249 2.530 20 10 EFCDHN [O-]c1cc(CN2CCC[N@H+]3CCC[C@H]3C2)c(O)cc1Br ZINC001236770965 1313526052 /nfs/dbraw/zinc/52/60/52/1313526052.db2.gz MMBUWWYKADTGKO-LBPRGKRZSA-N 0 3 341.249 2.530 20 10 EFCDHN CC(=O)N[C@H]1CCN(Cc2cc(OCc3ccccc3)ccc2O)C1 ZINC001236783127 1313527366 /nfs/dbraw/zinc/52/73/66/1313527366.db2.gz PQHCJEVKGTWRAZ-SFHVURJKSA-N 0 3 340.423 2.682 20 10 EFCDHN C[C@@]1(O)COCCN(Cc2cc(OCc3ccccc3)ccc2O)C1 ZINC001236779133 1313527936 /nfs/dbraw/zinc/52/79/36/1313527936.db2.gz QSCAZDYJWJAHON-FQEVSTJZSA-N 0 3 343.423 2.554 20 10 EFCDHN CCO[C@H]1CC[N@H+](Cc2ccc(CC)cc2[O-])[C@H]1Cc1cnn(C)c1 ZINC001236788918 1313529218 /nfs/dbraw/zinc/52/92/18/1313529218.db2.gz XBCWZAVHYRETHF-ICSRJNTNSA-N 0 3 343.471 2.910 20 10 EFCDHN CCO[C@H]1CC[N@@H+](Cc2ccc(CC)cc2[O-])[C@H]1Cc1cnn(C)c1 ZINC001236788918 1313529221 /nfs/dbraw/zinc/52/92/21/1313529221.db2.gz XBCWZAVHYRETHF-ICSRJNTNSA-N 0 3 343.471 2.910 20 10 EFCDHN CCc1ccc(C[NH+]2CCC(NC(=O)c3cccnc3)CC2)c([O-])c1 ZINC001236788520 1313529371 /nfs/dbraw/zinc/52/93/71/1313529371.db2.gz OTKLLWMZZVPRAZ-UHFFFAOYSA-N 0 3 339.439 2.744 20 10 EFCDHN COc1cc(C)c(CN2CC[C@@H](C)[C@](O)(C(F)(F)F)C2)c(O)c1 ZINC001236806733 1313532890 /nfs/dbraw/zinc/53/28/90/1313532890.db2.gz ALLOHZCFACFLSQ-ABAIWWIYSA-N 0 3 333.350 2.844 20 10 EFCDHN CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1c(C)cc(OC)cc1[O-])C2 ZINC001236809298 1313534288 /nfs/dbraw/zinc/53/42/88/1313534288.db2.gz GONPZTDOGWFBIC-QFBILLFUSA-N 0 3 335.444 2.869 20 10 EFCDHN CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1c(C)cc(OC)cc1[O-])C2 ZINC001236809298 1313534291 /nfs/dbraw/zinc/53/42/91/1313534291.db2.gz GONPZTDOGWFBIC-QFBILLFUSA-N 0 3 335.444 2.869 20 10 EFCDHN COc1cc(C)c(CN2CC[C@H](NC(=O)OC(C)(C)C)C2)c(O)c1 ZINC001236808292 1313534353 /nfs/dbraw/zinc/53/43/53/1313534353.db2.gz OVTLQODIRUWROZ-ZDUSSCGKSA-N 0 3 336.432 2.808 20 10 EFCDHN COc1cc(C)c(CN2CCCC[C@H]2C(=O)N2CCCC2)c(O)c1 ZINC001236813928 1313534765 /nfs/dbraw/zinc/53/47/65/1313534765.db2.gz MVZAZKDQFYEVBT-KRWDZBQOSA-N 0 3 332.444 2.686 20 10 EFCDHN COc1cc(C)c(C[N@@H+]2CC[C@@]3(C2)C(=O)Nc2ccccc23)c([O-])c1 ZINC001236811810 1313535184 /nfs/dbraw/zinc/53/51/84/1313535184.db2.gz UYJKCAJFWNZGOS-FQEVSTJZSA-N 0 3 338.407 2.805 20 10 EFCDHN COc1cc(C)c(C[N@H+]2CC[C@@]3(C2)C(=O)Nc2ccccc23)c([O-])c1 ZINC001236811810 1313535188 /nfs/dbraw/zinc/53/51/88/1313535188.db2.gz UYJKCAJFWNZGOS-FQEVSTJZSA-N 0 3 338.407 2.805 20 10 EFCDHN [O-]c1cc2ccccc2cc1C[NH+]1C[C@@H]2CN(c3ncccn3)C[C@H]2C1 ZINC001236832532 1313538491 /nfs/dbraw/zinc/53/84/91/1313538491.db2.gz PDSRQUYLZHQCBM-RTBURBONSA-N 0 3 346.434 2.904 20 10 EFCDHN C[C@@H]1CC[C@H](CO)CN1Cc1ccc(N2CCOCC2)cc1Cl ZINC001236920901 1313552713 /nfs/dbraw/zinc/55/27/13/1313552713.db2.gz APOHRSLVMJJLGX-CABCVRRESA-N 0 3 338.879 2.769 20 10 EFCDHN Clc1cc(N2CCOCC2)ccc1CN1CC[C@H]2OCC[C@@H]2C1 ZINC001236918001 1313553068 /nfs/dbraw/zinc/55/30/68/1313553068.db2.gz DRJJDWWMZKNKSQ-CRAIPNDOSA-N 0 3 336.863 2.787 20 10 EFCDHN Cc1cc(C)c(CN2C[C@@H]3CN(C4CCCC4)C[C@H](C2)O3)c(O)c1 ZINC001276365349 1298828216 /nfs/dbraw/zinc/82/82/16/1298828216.db2.gz OCAOMXZUFADCIF-HDICACEKSA-N 0 3 330.472 2.837 20 10 EFCDHN CN(Cc1cccc(O)c1)Cc1ccc(N2CCN(C)CC2)cc1F ZINC001236933671 1313556878 /nfs/dbraw/zinc/55/68/78/1313556878.db2.gz ZIFYPUUSCOKLTR-UHFFFAOYSA-N 0 3 343.446 2.915 20 10 EFCDHN Oc1cccc2c1CN(Cc1ccc(F)c(N3CCOCC3)c1)CC2 ZINC001236969709 1313563274 /nfs/dbraw/zinc/56/32/74/1313563274.db2.gz YJFJVEMJHIGCQV-UHFFFAOYSA-N 0 3 342.414 2.926 20 10 EFCDHN CCOc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCN3C(=O)C(C)C)C2)c([O-])c1 ZINC001237040310 1313573215 /nfs/dbraw/zinc/57/32/15/1313573215.db2.gz GQNXALMDDDFEGF-CRAIPNDOSA-N 0 3 346.471 2.870 20 10 EFCDHN CCOc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCN3C(=O)C(C)C)C2)c([O-])c1 ZINC001237040310 1313573218 /nfs/dbraw/zinc/57/32/18/1313573218.db2.gz GQNXALMDDDFEGF-CRAIPNDOSA-N 0 3 346.471 2.870 20 10 EFCDHN CCOc1ccc(CN(CCC(=O)OC)Cc2ccco2)c(O)c1 ZINC001237041153 1313574269 /nfs/dbraw/zinc/57/42/69/1313574269.db2.gz GRJVRABSIIVPFV-UHFFFAOYSA-N 0 3 333.384 2.949 20 10 EFCDHN CCOc1ccc(C[N@@H+]2CC[C@H](Oc3ncccc3OC)C2)c([O-])c1 ZINC001237046335 1313575137 /nfs/dbraw/zinc/57/51/37/1313575137.db2.gz ATJHPPYIDQKPHV-INIZCTEOSA-N 0 3 344.411 2.848 20 10 EFCDHN CCOc1ccc(C[N@H+]2CC[C@H](Oc3ncccc3OC)C2)c([O-])c1 ZINC001237046335 1313575140 /nfs/dbraw/zinc/57/51/40/1313575140.db2.gz ATJHPPYIDQKPHV-INIZCTEOSA-N 0 3 344.411 2.848 20 10 EFCDHN CCOc1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)OC(C)(C)C)c([O-])c1 ZINC001237049003 1313576036 /nfs/dbraw/zinc/57/60/36/1313576036.db2.gz BZMUKALCWNJHAC-QLPKVWCKSA-N 0 3 348.443 2.746 20 10 EFCDHN CCOc1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)OC(C)(C)C)c([O-])c1 ZINC001237049003 1313576038 /nfs/dbraw/zinc/57/60/38/1313576038.db2.gz BZMUKALCWNJHAC-QLPKVWCKSA-N 0 3 348.443 2.746 20 10 EFCDHN COC(=O)[C@@]1(C)CC[N@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])C1 ZINC001237063800 1313580212 /nfs/dbraw/zinc/58/02/12/1313580212.db2.gz UVKSIRYYWRSSQF-HNNXBMFYSA-N 0 3 347.333 2.718 20 10 EFCDHN COC(=O)[C@@]1(C)CC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])C1 ZINC001237063800 1313580215 /nfs/dbraw/zinc/58/02/15/1313580215.db2.gz UVKSIRYYWRSSQF-HNNXBMFYSA-N 0 3 347.333 2.718 20 10 EFCDHN COc1cc([O-])c(CN(C)CCC[NH+](C)C)c(Br)c1 ZINC001237063525 1313580343 /nfs/dbraw/zinc/58/03/43/1313580343.db2.gz SUYYIVZSJTUEBS-UHFFFAOYSA-N 0 3 331.254 2.547 20 10 EFCDHN CCN(C)C(=O)CO[C@@H]1CCC[N@H+](Cc2ccc(C(C)C)cc2[O-])C1 ZINC001237051244 1313576866 /nfs/dbraw/zinc/57/68/66/1313576866.db2.gz JAUCFNQZGUWXNU-GOSISDBHSA-N 0 3 348.487 2.975 20 10 EFCDHN CCN(C)C(=O)CO[C@@H]1CCC[N@@H+](Cc2ccc(C(C)C)cc2[O-])C1 ZINC001237051244 1313576869 /nfs/dbraw/zinc/57/68/69/1313576869.db2.gz JAUCFNQZGUWXNU-GOSISDBHSA-N 0 3 348.487 2.975 20 10 EFCDHN CCOC(=O)[C@@H]1CCN(Cc2ccc(C(C)C)cc2O)CCC1=O ZINC001237053386 1313576888 /nfs/dbraw/zinc/57/68/88/1313576888.db2.gz KNUPSCPZNSCPAT-MRXNPFEDSA-N 0 3 333.428 2.860 20 10 EFCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[NH+]1CC2(C1)CCCOC2 ZINC001237053181 1313576971 /nfs/dbraw/zinc/57/69/71/1313576971.db2.gz HHKRIEZRDYWRDP-UHFFFAOYSA-N 0 3 331.334 2.946 20 10 EFCDHN Oc1cc(OCC(F)(F)F)ccc1CN1CC2(C1)CCCOC2 ZINC001237053181 1313576975 /nfs/dbraw/zinc/57/69/75/1313576975.db2.gz HHKRIEZRDYWRDP-UHFFFAOYSA-N 0 3 331.334 2.946 20 10 EFCDHN COc1ccnc(O[C@@H]2CC[N@H+](Cc3ccc(C(C)C)cc3[O-])C2)n1 ZINC001237052453 1313577224 /nfs/dbraw/zinc/57/72/24/1313577224.db2.gz ZSQKGISMWHDXNJ-MRXNPFEDSA-N 0 3 343.427 2.968 20 10 EFCDHN COc1ccnc(O[C@@H]2CC[N@@H+](Cc3ccc(C(C)C)cc3[O-])C2)n1 ZINC001237052453 1313577227 /nfs/dbraw/zinc/57/72/27/1313577227.db2.gz ZSQKGISMWHDXNJ-MRXNPFEDSA-N 0 3 343.427 2.968 20 10 EFCDHN C[C@@H]1CC[N@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])C[C@]1(C)O ZINC001237053439 1313577321 /nfs/dbraw/zinc/57/73/21/1313577321.db2.gz LQBHPQZKIYGKCN-ABAIWWIYSA-N 0 3 333.350 2.926 20 10 EFCDHN C[C@@H]1CC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])C[C@]1(C)O ZINC001237053439 1313577323 /nfs/dbraw/zinc/57/73/23/1313577323.db2.gz LQBHPQZKIYGKCN-ABAIWWIYSA-N 0 3 333.350 2.926 20 10 EFCDHN C[C@H]1C[N@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])CC[C@]1(C)O ZINC001237053515 1313577390 /nfs/dbraw/zinc/57/73/90/1313577390.db2.gz NNWRSCOJZFELBI-NHYWBVRUSA-N 0 3 333.350 2.926 20 10 EFCDHN C[C@H]1C[N@@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])CC[C@]1(C)O ZINC001237053515 1313577394 /nfs/dbraw/zinc/57/73/94/1313577394.db2.gz NNWRSCOJZFELBI-NHYWBVRUSA-N 0 3 333.350 2.926 20 10 EFCDHN C[C@H]1CC[C@H](CO)C[N@@H+]1Cc1ccc(OCC(F)(F)F)cc1[O-] ZINC001237054027 1313577593 /nfs/dbraw/zinc/57/75/93/1313577593.db2.gz SVMGBJGROJCIAU-RYUDHWBXSA-N 0 3 333.350 2.926 20 10 EFCDHN C[C@H]1CC[C@H](CO)C[N@H+]1Cc1ccc(OCC(F)(F)F)cc1[O-] ZINC001237054027 1313577597 /nfs/dbraw/zinc/57/75/97/1313577597.db2.gz SVMGBJGROJCIAU-RYUDHWBXSA-N 0 3 333.350 2.926 20 10 EFCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@H+]1CCC[C@@H](CCO)C1 ZINC001237055559 1313578226 /nfs/dbraw/zinc/57/82/26/1313578226.db2.gz FWVGJZISMUFJCI-LBPRGKRZSA-N 0 3 333.350 2.928 20 10 EFCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@@H+]1CCC[C@@H](CCO)C1 ZINC001237055559 1313578228 /nfs/dbraw/zinc/57/82/28/1313578228.db2.gz FWVGJZISMUFJCI-LBPRGKRZSA-N 0 3 333.350 2.928 20 10 EFCDHN COc1cc([O-])c(CN2CCC([NH+](C)C)CC2)c(Br)c1 ZINC001237061464 1313579543 /nfs/dbraw/zinc/57/95/43/1313579543.db2.gz GAXFPMLIFZYWTA-UHFFFAOYSA-N 0 3 343.265 2.689 20 10 EFCDHN Cc1noc([C@@H]2CCN(Cc3c(O)cccc3OC(F)(F)F)C2)n1 ZINC001237114936 1313588213 /nfs/dbraw/zinc/58/82/13/1313588213.db2.gz POHNOEZUDRZRNG-SNVBAGLBSA-N 0 3 343.305 2.972 20 10 EFCDHN O=C1CCC2(CCN(Cc3c(O)cccc3OC(F)(F)F)CC2)O1 ZINC001237122764 1313590581 /nfs/dbraw/zinc/59/05/81/1313590581.db2.gz LIBQJDQQWFDGTE-UHFFFAOYSA-N 0 3 345.317 2.962 20 10 EFCDHN C[N@H+]1C[C@H]2[C@H](C1)CCCN2Cc1c([O-])cccc1OC(F)(F)F ZINC001237124051 1313591387 /nfs/dbraw/zinc/59/13/87/1313591387.db2.gz XHOBTEMYXNJINE-AAEUAGOBSA-N 0 3 330.350 2.817 20 10 EFCDHN C[N@@H+]1C[C@H]2[C@H](C1)CCCN2Cc1c([O-])cccc1OC(F)(F)F ZINC001237124051 1313591390 /nfs/dbraw/zinc/59/13/90/1313591390.db2.gz XHOBTEMYXNJINE-AAEUAGOBSA-N 0 3 330.350 2.817 20 10 EFCDHN C[C@H]1CCCN(Cc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1 ZINC001237204449 1313605270 /nfs/dbraw/zinc/60/52/70/1313605270.db2.gz AEPQVLXBSFAMDJ-INIZCTEOSA-N 0 3 336.501 2.543 20 10 EFCDHN CC[C@H]1CCCN(Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 ZINC001237209304 1313606314 /nfs/dbraw/zinc/60/63/14/1313606314.db2.gz HZTMULAUQHKKQZ-INIZCTEOSA-N 0 3 336.501 2.543 20 10 EFCDHN CN(Cc1cc(=O)n2cc(Cl)ccc2n1)Cc1ccccc1O ZINC000109769173 1299338416 /nfs/dbraw/zinc/33/84/16/1299338416.db2.gz ILGCGTBTVVQAPJ-UHFFFAOYSA-N 0 3 329.787 2.686 20 10 EFCDHN [O-]c1ccccc1C[N@H+](C[C@@H](O)c1ccccn1)C[C@@H]1CCCO1 ZINC000851840628 1299427435 /nfs/dbraw/zinc/42/74/35/1299427435.db2.gz JABWRYFVICGVJH-QFBILLFUSA-N 0 3 328.412 2.502 20 10 EFCDHN [O-]c1ccccc1C[N@@H+](C[C@@H](O)c1ccccn1)C[C@@H]1CCCO1 ZINC000851840628 1299427441 /nfs/dbraw/zinc/42/74/41/1299427441.db2.gz JABWRYFVICGVJH-QFBILLFUSA-N 0 3 328.412 2.502 20 10 EFCDHN Cc1cccc([O-])c1C[NH+]1CCC2(C[C@H](c3cnn(C)c3)CO2)CC1 ZINC001237487458 1313654806 /nfs/dbraw/zinc/65/48/06/1313654806.db2.gz ZRWZYBJTVNAZIQ-INIZCTEOSA-N 0 3 341.455 2.973 20 10 EFCDHN Cc1cccc([O-])c1C[N@@H+]1C[C@H]2CN(c3ccsc3)C(=O)[C@H]2C1 ZINC001237488834 1313654920 /nfs/dbraw/zinc/65/49/20/1313654920.db2.gz RUTKSKWKUHXJGS-BBRMVZONSA-N 0 3 328.437 2.857 20 10 EFCDHN Cc1cccc([O-])c1C[N@H+]1C[C@H]2CN(c3ccsc3)C(=O)[C@H]2C1 ZINC001237488834 1313654924 /nfs/dbraw/zinc/65/49/24/1313654924.db2.gz RUTKSKWKUHXJGS-BBRMVZONSA-N 0 3 328.437 2.857 20 10 EFCDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@]2(CCN(CC3CC3)C2=O)C1 ZINC001237488537 1313655066 /nfs/dbraw/zinc/65/50/66/1313655066.db2.gz NEFYPLRZGRNLNT-FQEVSTJZSA-N 0 3 328.456 2.925 20 10 EFCDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@]2(CCN(CC3CC3)C2=O)C1 ZINC001237488537 1313655070 /nfs/dbraw/zinc/65/50/70/1313655070.db2.gz NEFYPLRZGRNLNT-FQEVSTJZSA-N 0 3 328.456 2.925 20 10 EFCDHN Cc1cccc([O-])c1C[NH+]1CCC2(C[C@@H](c3cnn(C)c3)CO2)CC1 ZINC001237487464 1313655151 /nfs/dbraw/zinc/65/51/51/1313655151.db2.gz ZRWZYBJTVNAZIQ-MRXNPFEDSA-N 0 3 341.455 2.973 20 10 EFCDHN C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)c1cccc(O)c1[O-])C1CC1 ZINC000718084932 1300003708 /nfs/dbraw/zinc/00/37/08/1300003708.db2.gz LFKPDOPPCOIKSM-KRWDZBQOSA-N 0 3 340.423 2.738 20 10 EFCDHN C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)c1cccc(O)c1[O-])C1CC1 ZINC000718084932 1300003715 /nfs/dbraw/zinc/00/37/15/1300003715.db2.gz LFKPDOPPCOIKSM-KRWDZBQOSA-N 0 3 340.423 2.738 20 10 EFCDHN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@@H]2CCCN(CC3CC3)C2)c1 ZINC000853241710 1300063249 /nfs/dbraw/zinc/06/32/49/1300063249.db2.gz XEYISNNIACDFNW-ZBFHGGJFSA-N 0 3 346.471 2.951 20 10 EFCDHN C[N@H+](CCC(=O)NC(=O)Nc1ccccc1)Cc1ccccc1[O-] ZINC000111235504 1300079124 /nfs/dbraw/zinc/07/91/24/1300079124.db2.gz XPNZUBJOMRTXSA-UHFFFAOYSA-N 0 3 327.384 2.562 20 10 EFCDHN C[N@@H+](CCC(=O)NC(=O)Nc1ccccc1)Cc1ccccc1[O-] ZINC000111235504 1300079133 /nfs/dbraw/zinc/07/91/33/1300079133.db2.gz XPNZUBJOMRTXSA-UHFFFAOYSA-N 0 3 327.384 2.562 20 10 EFCDHN CN1CC[N@H+](Cc2cc(-c3ccc(F)cc3)ccc2[O-])CCC1=O ZINC001237647105 1313685100 /nfs/dbraw/zinc/68/51/00/1313685100.db2.gz RITFNHSPSULWEY-UHFFFAOYSA-N 0 3 328.387 2.862 20 10 EFCDHN CN1CC[N@@H+](Cc2cc(-c3ccc(F)cc3)ccc2[O-])CCC1=O ZINC001237647105 1313685103 /nfs/dbraw/zinc/68/51/03/1313685103.db2.gz RITFNHSPSULWEY-UHFFFAOYSA-N 0 3 328.387 2.862 20 10 EFCDHN Cc1cc(O)c(CN2C[C@H](C)N(C)C[C@H]2C)cc1Br ZINC001237680515 1313689911 /nfs/dbraw/zinc/68/99/11/1313689911.db2.gz JKKZPLCTKHFAAF-NWDGAFQWSA-N 0 3 327.266 2.988 20 10 EFCDHN Cc1cc(O)c(CN2CCC3(CC2)OCCO3)cc1Br ZINC001237679118 1313690282 /nfs/dbraw/zinc/69/02/82/1313690282.db2.gz FKJNKQUYYBZCON-UHFFFAOYSA-N 0 3 342.233 2.802 20 10 EFCDHN COc1cc(CN2CCC[C@@H](Oc3ccncc3)C2)c(O)c(OC)c1 ZINC001237684171 1313692058 /nfs/dbraw/zinc/69/20/58/1313692058.db2.gz NEQUXWSQFRYOBM-MRXNPFEDSA-N 0 3 344.411 2.848 20 10 EFCDHN Cc1cc(Cl)cc(C[NH+]2CCC(NC(=O)N(C)C)CC2)c1[O-] ZINC001237690001 1313692457 /nfs/dbraw/zinc/69/24/57/1313692457.db2.gz TYHRZDZLZVDPBI-UHFFFAOYSA-N 0 3 325.840 2.590 20 10 EFCDHN Cc1cc(Cl)cc(CN2CCC(NC(=O)N(C)C)CC2)c1O ZINC001237690001 1313692461 /nfs/dbraw/zinc/69/24/61/1313692461.db2.gz TYHRZDZLZVDPBI-UHFFFAOYSA-N 0 3 325.840 2.590 20 10 EFCDHN CC(C)N1CCC[C@H](N(Cc2ccccc2O)C[C@H]2CCCO2)C1=O ZINC000245705685 1300734254 /nfs/dbraw/zinc/73/42/54/1300734254.db2.gz YOGBXMGGHZIIMD-MSOLQXFVSA-N 0 3 346.471 2.773 20 10 EFCDHN Oc1cc(Cl)c(F)cc1CN1CC[C@H](Oc2ncc(F)cn2)C1 ZINC001237940888 1313734739 /nfs/dbraw/zinc/73/47/39/1313734739.db2.gz OTRXXIJZSADVCZ-NSHDSACASA-N 0 3 341.745 2.767 20 10 EFCDHN CC1(N2CCOCC2)CC[NH+](Cc2cc(F)c(Cl)cc2[O-])CC1 ZINC001237948302 1313735455 /nfs/dbraw/zinc/73/54/55/1313735455.db2.gz CIUJAOYOGBYQBR-UHFFFAOYSA-N 0 3 342.842 2.871 20 10 EFCDHN Cc1cc(F)cc(C[N@H+]2C[C@H]3CN(Cc4nccs4)C[C@H]3C2)c1[O-] ZINC001238062030 1313753283 /nfs/dbraw/zinc/75/32/83/1313753283.db2.gz SMAVLXMWTKVREO-GASCZTMLSA-N 0 3 347.459 2.860 20 10 EFCDHN Cc1cc(F)cc(C[N@@H+]2C[C@H]3CN(Cc4nccs4)C[C@H]3C2)c1[O-] ZINC001238062030 1313753285 /nfs/dbraw/zinc/75/32/85/1313753285.db2.gz SMAVLXMWTKVREO-GASCZTMLSA-N 0 3 347.459 2.860 20 10 EFCDHN Cc1cc(F)cc(C[N@@H+]2C[C@H]3CN(c4ccsc4)C(=O)[C@H]3C2)c1[O-] ZINC001238060404 1313753354 /nfs/dbraw/zinc/75/33/54/1313753354.db2.gz HURFCQVRCIUPTO-BBRMVZONSA-N 0 3 346.427 2.996 20 10 EFCDHN Cc1cc(F)cc(C[N@H+]2C[C@H]3CN(c4ccsc4)C(=O)[C@H]3C2)c1[O-] ZINC001238060404 1313753358 /nfs/dbraw/zinc/75/33/58/1313753358.db2.gz HURFCQVRCIUPTO-BBRMVZONSA-N 0 3 346.427 2.996 20 10 EFCDHN Cc1cc(F)cc(CN2CCC(Oc3ncncc3C)CC2)c1O ZINC001238069346 1313754922 /nfs/dbraw/zinc/75/49/22/1313754922.db2.gz YGRMRJRNQCNLFG-UHFFFAOYSA-N 0 3 331.391 2.982 20 10 EFCDHN [O-]c1cccc(Br)c1CN1CC[NH+](CC2CC2)CC1 ZINC000862226734 1302313701 /nfs/dbraw/zinc/31/37/01/1302313701.db2.gz MJYVWEOGIBHVNT-UHFFFAOYSA-N 0 3 325.250 2.682 20 10 EFCDHN CC(C)(C)NC(=O)[C@H]1[C@H]2CC[C@@H]1C[N@H+](Cc1cc(F)ccc1[O-])C2 ZINC001278255266 1313844490 /nfs/dbraw/zinc/84/44/90/1313844490.db2.gz RIESBLYRDMXPMJ-FVCICTRLSA-N 0 3 334.435 2.904 20 10 EFCDHN CC(C)(C)NC(=O)[C@H]1[C@H]2CC[C@@H]1C[N@@H+](Cc1cc(F)ccc1[O-])C2 ZINC001278255266 1313844492 /nfs/dbraw/zinc/84/44/92/1313844492.db2.gz RIESBLYRDMXPMJ-FVCICTRLSA-N 0 3 334.435 2.904 20 10 EFCDHN CC(C)N1CCC[C@@H](N[C@@H](C)c2ccc(N3CCOCC3)cc2)C1=O ZINC000748270930 1313844548 /nfs/dbraw/zinc/84/45/48/1313844548.db2.gz ZYIUZDFLMPBFNQ-QFBILLFUSA-N 0 3 345.487 2.573 20 10 EFCDHN COC(=O)[C@H]1CN(Cc2cc(C)cc(OC)c2O)Cc2ccccc21 ZINC000863334334 1302590668 /nfs/dbraw/zinc/59/06/68/1302590668.db2.gz ZRKYNWIAXBBUJO-KRWDZBQOSA-N 0 3 341.407 2.982 20 10 EFCDHN CC[C@H]([NH2+]CCc1ccc(S(N)(=O)=O)cc1)c1ccc(C)cc1[O-] ZINC000794796903 1303076157 /nfs/dbraw/zinc/07/61/57/1303076157.db2.gz YATPNHBRLMCYFM-KRWDZBQOSA-N 0 3 348.468 2.631 20 10 EFCDHN CCC[C@@H]1CCCN(Cc2cc(=O)n3ncc(C(=O)OCC)c3[nH]2)C1 ZINC000120952514 1303553647 /nfs/dbraw/zinc/55/36/47/1303553647.db2.gz IVDQQLFWADDQGB-CYBMUJFWSA-N 0 3 346.431 2.624 20 10 EFCDHN CCOC(C)(C)CN1CCN(c2ccc(OCCOC)cc2)CC1 ZINC001209076598 1314085483 /nfs/dbraw/zinc/08/54/83/1314085483.db2.gz PZCYGBXPKZJIKI-UHFFFAOYSA-N 0 3 336.476 2.649 20 10 EFCDHN COCCN1CCN(Cc2ccc(-n3c(C)ccc3C)cc2)CC1 ZINC001209516968 1314178607 /nfs/dbraw/zinc/17/86/07/1314178607.db2.gz UZKMCKQAMSAYOV-UHFFFAOYSA-N 0 3 327.472 2.858 20 10 EFCDHN CNC(=O)N[C@H]1CCCN(Cc2ccc(-n3c(C)ccc3C)cc2)C1 ZINC001209520146 1314179094 /nfs/dbraw/zinc/17/90/94/1314179094.db2.gz OPXBAWRTOJRFHH-SFHVURJKSA-N 0 3 340.471 2.988 20 10 EFCDHN Cc1ccc(C)n1-c1ccc(CN2CC(N3CCN(C)CC3)C2)cc1 ZINC001209520226 1314179355 /nfs/dbraw/zinc/17/93/55/1314179355.db2.gz RHMTVEPSCASRFS-UHFFFAOYSA-N 0 3 338.499 2.526 20 10 EFCDHN O=C(/C=C\c1ccccc1)NCCC[NH2+]Cc1cc(F)ccc1[O-] ZINC000800544546 1308100219 /nfs/dbraw/zinc/10/02/19/1308100219.db2.gz LLDQIPRMEDSZHR-YFHOEESVSA-N 0 3 328.387 2.841 20 10 EFCDHN [O-]c1cc(O)c(CN2CC[NH2+][C@@H](Cc3ccccc3)C2)cc1Cl ZINC001210356195 1314318305 /nfs/dbraw/zinc/31/83/05/1314318305.db2.gz MGCRHJSYQLQEIF-HNNXBMFYSA-N 0 3 332.831 2.768 20 10 EFCDHN COC[C@@H]1C[NH2+]CCN1Cc1cc(Cl)c(C(C)(C)C)cc1[O-] ZINC001210546320 1314349970 /nfs/dbraw/zinc/34/99/70/1314349970.db2.gz WZJLXXUVMJVFSQ-ZDUSSCGKSA-N 0 3 326.868 2.763 20 10 EFCDHN C[C@@H]1CC[C@H](C)N1CC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000752151550 1311148364 /nfs/dbraw/zinc/14/83/64/1311148364.db2.gz JTJPEBIABBUAMI-JZXOWHBKSA-N 0 3 346.471 2.773 20 10 EFCDHN C[C@]1(CNC(=O)c2cccc(O)c2[O-])CC[N@H+](Cc2ccccc2)C1 ZINC000381200846 1311308418 /nfs/dbraw/zinc/30/84/18/1311308418.db2.gz OZLPGHOVBXHTRX-HXUWFJFHSA-N 0 3 340.423 2.740 20 10 EFCDHN C[C@]1(CNC(=O)c2cccc(O)c2[O-])CC[N@@H+](Cc2ccccc2)C1 ZINC000381200846 1311308421 /nfs/dbraw/zinc/30/84/21/1311308421.db2.gz OZLPGHOVBXHTRX-HXUWFJFHSA-N 0 3 340.423 2.740 20 10 EFCDHN Cc1cc(CN2C[C@@H]3CC[C@H](C2)[C@H]3C(=O)N(C)C)ccc1N(C)C ZINC001276929315 1311316944 /nfs/dbraw/zinc/31/69/44/1311316944.db2.gz SRYHTYHUDWJBSQ-IZZQQSIFSA-N 0 3 329.488 2.607 20 10 EFCDHN CN(C)c1ccc(CN2C[C@@H]3CC[C@H](C2)[C@H]3C(=O)N2CC=CC2)cc1 ZINC001276959030 1311367174 /nfs/dbraw/zinc/36/71/74/1311367174.db2.gz YWOQSQNMWGEUSG-OPVJXMOQSA-N 0 3 339.483 2.609 20 10 EFCDHN COc1ccc(N2CC[C@H]3[C@@H]2CCN3Cc2cccc(=O)[nH]2)cc1F ZINC001277009591 1311456805 /nfs/dbraw/zinc/45/68/05/1311456805.db2.gz KLHARGUMBWLMLG-IRXDYDNUSA-N 0 3 343.402 2.788 20 10 EFCDHN c1c[nH]c(CN2CC[C@H]3[C@@H]2CCN3c2ccc3c(c2)OCCO3)c1 ZINC001277013789 1311469871 /nfs/dbraw/zinc/46/98/71/1311469871.db2.gz HLBHOGMADAJOJJ-IRXDYDNUSA-N 0 3 325.412 2.639 20 10 EFCDHN COc1ccc(N2CC[C@H]3[C@@H]2CCN3Cc2cc(C)nn2C)c(C)c1 ZINC001277022020 1311484875 /nfs/dbraw/zinc/48/48/75/1311484875.db2.gz IBRJIRWCQJRVTK-PMACEKPBSA-N 0 3 340.471 2.899 20 10 EFCDHN COc1ccc(N2CCCC3(CN(CCn4ccnc4)C3)C2)c(C)c1 ZINC001277022887 1311487042 /nfs/dbraw/zinc/48/70/42/1311487042.db2.gz VHPUWYJMXOHQEA-UHFFFAOYSA-N 0 3 340.471 2.803 20 10 EFCDHN Cc1cc(CN2CC3(C2)CC[N@@H+](C)C3)c([O-])cc1Br ZINC001277144243 1311702712 /nfs/dbraw/zinc/70/27/12/1311702712.db2.gz QDZNNUITCHIOFG-UHFFFAOYSA-N 0 3 325.250 2.601 20 10 EFCDHN Cc1cc(CN2CC3(C2)CC[N@H+](C)C3)c([O-])cc1Br ZINC001277144243 1311702714 /nfs/dbraw/zinc/70/27/14/1311702714.db2.gz QDZNNUITCHIOFG-UHFFFAOYSA-N 0 3 325.250 2.601 20 10 EFCDHN [NH3+][C@H](c1ccccc1[O-])[C@H](Nc1ccc(F)nn1)c1ccccc1O ZINC001160619089 1311747518 /nfs/dbraw/zinc/74/75/18/1311747518.db2.gz QLGYFIBQALCKIY-QZTJIDSGSA-N 0 3 340.358 2.880 20 10 EFCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCC[C@H]3C3OCCO3)c2c1 ZINC000902621972 1311950204 /nfs/dbraw/zinc/95/02/04/1311950204.db2.gz HYYUEJPIHYLPAO-KRWDZBQOSA-N 0 3 329.396 2.891 20 10 EFCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCC[C@H]3C3OCCO3)c2c1 ZINC000902621972 1311950207 /nfs/dbraw/zinc/95/02/07/1311950207.db2.gz HYYUEJPIHYLPAO-KRWDZBQOSA-N 0 3 329.396 2.891 20 10 EFCDHN O=C(NCC(F)F)[C@H]1CCC[C@@]12CC[N@@H+](Cc1ccccc1[O-])C2 ZINC001277442242 1312178268 /nfs/dbraw/zinc/17/82/68/1312178268.db2.gz UVZAFNQURLHCSW-KDOFPFPSSA-N 0 3 338.398 2.766 20 10 EFCDHN O=C(NCC(F)F)[C@H]1CCC[C@@]12CC[N@H+](Cc1ccccc1[O-])C2 ZINC001277442242 1312178269 /nfs/dbraw/zinc/17/82/69/1312178269.db2.gz UVZAFNQURLHCSW-KDOFPFPSSA-N 0 3 338.398 2.766 20 10 EFCDHN CC(C)(C)NC(=O)[C@H]1CCSC12CN(Cc1ccccc1O)C2 ZINC001277442632 1312178762 /nfs/dbraw/zinc/17/87/62/1312178762.db2.gz YBQFXNMVGYHDEC-CQSZACIVSA-N 0 3 334.485 2.614 20 10 EFCDHN CC(C)(C)NC(=O)[C@H]1CCSC12C[NH+](Cc1ccccc1[O-])C2 ZINC001277442632 1312178764 /nfs/dbraw/zinc/17/87/64/1312178764.db2.gz YBQFXNMVGYHDEC-CQSZACIVSA-N 0 3 334.485 2.614 20 10 EFCDHN O=C([C@@H]1CCC[C@]12CC[N@@H+](Cc1ccccc1[O-])C2)N1CCCCO1 ZINC001277445886 1312188762 /nfs/dbraw/zinc/18/87/62/1312188762.db2.gz KLFYSXFYWPSKPR-FXAWDEMLSA-N 0 3 344.455 2.938 20 10 EFCDHN O=C([C@@H]1CCC[C@]12CC[N@H+](Cc1ccccc1[O-])C2)N1CCCCO1 ZINC001277445886 1312188765 /nfs/dbraw/zinc/18/87/65/1312188765.db2.gz KLFYSXFYWPSKPR-FXAWDEMLSA-N 0 3 344.455 2.938 20 10 EFCDHN COc1ccc(C[NH2+]C23CC(C(=O)N4CCCC45CC5)(C2)C3)c([O-])c1 ZINC001277457929 1312250617 /nfs/dbraw/zinc/25/06/17/1312250617.db2.gz RJJZZMVOPCGKDY-UHFFFAOYSA-N 0 3 342.439 2.568 20 10 EFCDHN COc1ccc(C[NH+]2CCC3(CC[C@H](C(=O)N(C)C)C3)CC2)c([O-])c1 ZINC001277458389 1312254235 /nfs/dbraw/zinc/25/42/35/1312254235.db2.gz WYFQIUPXKNARAQ-HNNXBMFYSA-N 0 3 346.471 2.871 20 10 EFCDHN C[C@H](CCNS(=O)(=O)c1ccccc1)[NH2+][C@H](C)c1ccccc1[O-] ZINC000903231556 1312482732 /nfs/dbraw/zinc/48/27/32/1312482732.db2.gz OCVBBFGJBCBRHM-HUUCEWRRSA-N 0 3 348.468 2.800 20 10 EFCDHN COc1cc(CN2CCC(O)(c3ccc(F)cc3)CC2)c(O)cc1O ZINC001231636714 1312537046 /nfs/dbraw/zinc/53/70/46/1312537046.db2.gz UNYDWBMYQZBADN-UHFFFAOYSA-N 0 3 347.386 2.729 20 10 EFCDHN Cc1ccc(C[NH+]2CCC3(C[C@H]3C(=O)N3CC=CC3)CC2)c([O-])c1 ZINC001277568539 1312568178 /nfs/dbraw/zinc/56/81/78/1312568178.db2.gz SBJZRKYYSORWQX-KRWDZBQOSA-N 0 3 326.440 2.701 20 10 EFCDHN CCN1CC[C@]2(CCCN(Cc3ccc(N(C)C)cc3OC)C2)C1=O ZINC001231853009 1312575192 /nfs/dbraw/zinc/57/51/92/1312575192.db2.gz QTARXADOXZBPRD-FQEVSTJZSA-N 0 3 345.487 2.596 20 10 EFCDHN CCO[C@@H]1CO[C@@]2(C1)CCCN(Cc1ccc(N(C)C)cc1OC)C2 ZINC001231852452 1312575333 /nfs/dbraw/zinc/57/53/33/1312575333.db2.gz KWVOBWQYHLPKMH-AZUAARDMSA-N 0 3 348.487 2.921 20 10 EFCDHN COc1cnc(O[C@@H]2CC[N@H+](Cc3cc(Cl)c(C)cc3[O-])C2)nc1 ZINC001231871955 1312578278 /nfs/dbraw/zinc/57/82/78/1312578278.db2.gz SELCNOFFTFUOEU-CYBMUJFWSA-N 0 3 349.818 2.806 20 10 EFCDHN COc1cnc(O[C@@H]2CC[N@@H+](Cc3cc(Cl)c(C)cc3[O-])C2)nc1 ZINC001231871955 1312578280 /nfs/dbraw/zinc/57/82/80/1312578280.db2.gz SELCNOFFTFUOEU-CYBMUJFWSA-N 0 3 349.818 2.806 20 10 EFCDHN [O-]c1c(CN2CCO[C@@H](C[NH+]3CCCC3)C2)ccc2ccccc21 ZINC001231883779 1312580261 /nfs/dbraw/zinc/58/02/61/1312580261.db2.gz PCQLVWDXOYACLJ-SFHVURJKSA-N 0 3 326.440 2.842 20 10 EFCDHN [O-]c1c(Cl)cccc1C[NH+]1CCN(CCc2ccccn2)CC1 ZINC001231911624 1312587540 /nfs/dbraw/zinc/58/75/40/1312587540.db2.gz JCGRYCQTRGRWMJ-UHFFFAOYSA-N 0 3 331.847 2.801 20 10 EFCDHN OC[C@H]1CCCN(Cc2ccc(N3CCOCC3)c(Cl)c2)CC1 ZINC001232194577 1312646385 /nfs/dbraw/zinc/64/63/85/1312646385.db2.gz KBEXSWNEWKFQFK-HNNXBMFYSA-N 0 3 338.879 2.771 20 10 EFCDHN Clc1cc(CN2CC[C@@H]3OCC[C@@H]3C2)ccc1N1CCOCC1 ZINC001232199328 1312647171 /nfs/dbraw/zinc/64/71/71/1312647171.db2.gz FNASXLUGYPDNIG-QAPCUYQASA-N 0 3 336.863 2.787 20 10 EFCDHN CC[NH+](CC)C[C@@H]1CN(Cc2cc(Cl)c(OC)cc2[O-])CCO1 ZINC001232270948 1312664008 /nfs/dbraw/zinc/66/40/08/1312664008.db2.gz MZDPJBROLNFCOJ-CQSZACIVSA-N 0 3 342.867 2.597 20 10 EFCDHN CC[C@@H](F)CN[C@@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001211344938 1314480539 /nfs/dbraw/zinc/48/05/39/1314480539.db2.gz HCPJTPPBABBHPB-UKRRQHHQSA-N 0 3 349.410 2.791 20 10 EFCDHN O=C(OCc1ccccc1)N1CC[C@H]([NH2+]Cc2ccccc2[O-])C1 ZINC000401898948 1314831216 /nfs/dbraw/zinc/83/12/16/1314831216.db2.gz BZLJSYMUXZXFDH-KRWDZBQOSA-N 0 3 326.396 2.893 20 10 EFCDHN COC(=O)Cc1ccc(C[N@@H+]2CCc3cc(OC)ccc3C2)c([O-])c1 ZINC001249171506 1315028256 /nfs/dbraw/zinc/02/82/56/1315028256.db2.gz COHHFKATLBCIFZ-UHFFFAOYSA-N 0 3 341.407 2.675 20 10 EFCDHN COC(=O)Cc1ccc(C[N@H+]2CCc3cc(OC)ccc3C2)c([O-])c1 ZINC001249171506 1315028260 /nfs/dbraw/zinc/02/82/60/1315028260.db2.gz COHHFKATLBCIFZ-UHFFFAOYSA-N 0 3 341.407 2.675 20 10 EFCDHN COC(=O)Cc1ccc(CN2CCc3cc(OC)ccc3C2)c(O)c1 ZINC001249171506 1315028262 /nfs/dbraw/zinc/02/82/62/1315028262.db2.gz COHHFKATLBCIFZ-UHFFFAOYSA-N 0 3 341.407 2.675 20 10 EFCDHN COC(=O)Cc1ccc(C[N@@H+]2CCC[C@@H]2c2cccnc2)c([O-])c1 ZINC001249173679 1315029408 /nfs/dbraw/zinc/02/94/08/1315029408.db2.gz UXRHPQNCXQCGLM-QGZVFWFLSA-N 0 3 326.396 2.840 20 10 EFCDHN COC(=O)Cc1ccc(C[N@H+]2CCC[C@@H]2c2cccnc2)c([O-])c1 ZINC001249173679 1315029411 /nfs/dbraw/zinc/02/94/11/1315029411.db2.gz UXRHPQNCXQCGLM-QGZVFWFLSA-N 0 3 326.396 2.840 20 10 EFCDHN COC(=O)Cc1ccc(C[N@@H+]2CCC(F)(F)C(C)(C)C2)c([O-])c1 ZINC001249177909 1315030129 /nfs/dbraw/zinc/03/01/29/1315030129.db2.gz LHZCOOJGUCAEOR-UHFFFAOYSA-N 0 3 327.371 2.975 20 10 EFCDHN COC(=O)Cc1ccc(C[N@H+]2CCC(F)(F)C(C)(C)C2)c([O-])c1 ZINC001249177909 1315030130 /nfs/dbraw/zinc/03/01/30/1315030130.db2.gz LHZCOOJGUCAEOR-UHFFFAOYSA-N 0 3 327.371 2.975 20 10 EFCDHN COC(=O)Cc1ccc(CN2CCC(=O)[C@H](C)C23CCCC3)c(O)c1 ZINC001249218669 1315034037 /nfs/dbraw/zinc/03/40/37/1315034037.db2.gz ZLYMYJAUBOJWAX-AWEZNQCLSA-N 0 3 345.439 2.831 20 10 EFCDHN COC(=O)Cc1ccc(C[N@@H+]2CCC(=O)[C@H](C)C23CCCC3)c([O-])c1 ZINC001249218669 1315034039 /nfs/dbraw/zinc/03/40/39/1315034039.db2.gz ZLYMYJAUBOJWAX-AWEZNQCLSA-N 0 3 345.439 2.831 20 10 EFCDHN COC(=O)Cc1ccc(C[N@H+]2CCC(=O)[C@H](C)C23CCCC3)c([O-])c1 ZINC001249218669 1315034041 /nfs/dbraw/zinc/03/40/41/1315034041.db2.gz ZLYMYJAUBOJWAX-AWEZNQCLSA-N 0 3 345.439 2.831 20 10 EFCDHN COC(=O)Cc1ccc(C[NH+]2CCC(c3cccnc3)CC2)c([O-])c1 ZINC001249214600 1315034160 /nfs/dbraw/zinc/03/41/60/1315034160.db2.gz OAJGYLVEINDYIN-UHFFFAOYSA-N 0 3 340.423 2.882 20 10 EFCDHN CNC(=O)C1CC[NH+](Cc2ccc3c(c2[O-])C=CC(C)(C)O3)CC1 ZINC001249224411 1315034662 /nfs/dbraw/zinc/03/46/62/1315034662.db2.gz YSJGLKPCCABXAT-UHFFFAOYSA-N 0 3 330.428 2.534 20 10 EFCDHN CCNC(=O)[C@@H]1CCCN1Cc1ccc2c(c1O)C=CC(C)(C)O2 ZINC001249258370 1315040437 /nfs/dbraw/zinc/04/04/37/1315040437.db2.gz GWHFPXKDEFONOA-HNNXBMFYSA-N 0 3 330.428 2.677 20 10 EFCDHN CC(=O)N(C)[C@H]1CC[N@H+](Cc2ccc3c(c2[O-])C=CC(C)(C)O3)C1 ZINC001249259355 1315040567 /nfs/dbraw/zinc/04/05/67/1315040567.db2.gz UKZLUPLAALGTHC-HNNXBMFYSA-N 0 3 330.428 2.629 20 10 EFCDHN CC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccc3c(c2[O-])C=CC(C)(C)O3)C1 ZINC001249259355 1315040570 /nfs/dbraw/zinc/04/05/70/1315040570.db2.gz UKZLUPLAALGTHC-HNNXBMFYSA-N 0 3 330.428 2.629 20 10 EFCDHN COC(=O)[C@]1(C)CC[N@H+](Cc2ccc3c(c2[O-])C=CC(C)(C)O3)C1 ZINC001249263635 1315041635 /nfs/dbraw/zinc/04/16/35/1315041635.db2.gz QSFFFKQMKZJXAW-LJQANCHMSA-N 0 3 331.412 2.961 20 10 EFCDHN COC(=O)[C@]1(C)CC[N@@H+](Cc2ccc3c(c2[O-])C=CC(C)(C)O3)C1 ZINC001249263635 1315041639 /nfs/dbraw/zinc/04/16/39/1315041639.db2.gz QSFFFKQMKZJXAW-LJQANCHMSA-N 0 3 331.412 2.961 20 10 EFCDHN COc1cc(-c2noc(C[C@@H]([NH3+])c3ccccc3[O-])n2)ccc1F ZINC001249339970 1315056372 /nfs/dbraw/zinc/05/63/72/1315056372.db2.gz QGAPOTKKRNKILL-CYBMUJFWSA-N 0 3 329.331 2.832 20 10 EFCDHN COc1ncc(Cl)cc1-c1noc(C[C@@H]([NH3+])c2ccccc2[O-])n1 ZINC001249339368 1315056504 /nfs/dbraw/zinc/05/65/04/1315056504.db2.gz NCIZDMLDZGOAOS-GFCCVEGCSA-N 0 3 346.774 2.742 20 10 EFCDHN CCOC(=O)CCCOc1ccc(CN2C[C@@H](C)[C@@H](F)C2)c(O)c1 ZINC001249725174 1315127083 /nfs/dbraw/zinc/12/70/83/1315127083.db2.gz NWCUQMRIMYVWJK-CJNGLKHVSA-N 0 3 339.407 2.904 20 10 EFCDHN O=C1c2cccc(O[C@H]3CCC[NH2+]CC3)c2C(=O)c2cccc([O-])c21 ZINC001217995271 1315130488 /nfs/dbraw/zinc/13/04/88/1315130488.db2.gz GCLXOGIRDQQAHO-LBPRGKRZSA-N 0 3 337.375 2.689 20 10 EFCDHN O=C1c2ccccc2C(=O)c2c(O[C@@H]3CCNC[C@H]3F)cccc21 ZINC001218068857 1315142666 /nfs/dbraw/zinc/14/26/66/1315142666.db2.gz XXWQJISTZZHYQM-HUUCEWRRSA-N 0 3 325.339 2.541 20 10 EFCDHN O=C1c2ccccc2C(=O)c2c(O[C@@H]3CCNC[C@@H]3F)cccc21 ZINC001218068858 1315142784 /nfs/dbraw/zinc/14/27/84/1315142784.db2.gz XXWQJISTZZHYQM-LSDHHAIUSA-N 0 3 325.339 2.541 20 10 EFCDHN O=C1c2ccccc2C(=O)c2cc(O[C@H]3CCNC[C@@H]3F)ccc21 ZINC001218074462 1315143966 /nfs/dbraw/zinc/14/39/66/1315143966.db2.gz ZYFWFOYZRAQDDL-IRXDYDNUSA-N 0 3 325.339 2.541 20 10 EFCDHN O=C1c2cccc([O-])c2C(=O)c2c(O[C@H]3CCC4(C[NH2+]C4)C3)cccc21 ZINC001218233832 1315168358 /nfs/dbraw/zinc/16/83/58/1315168358.db2.gz AOYYRNAHOOONRM-LBPRGKRZSA-N 0 3 349.386 2.689 20 10 EFCDHN [O-]c1ccccc1C[N@@H+]1CC[C@H]2CN(Cc3nc4ccccc4[nH]3)C[C@H]21 ZINC001278551217 1315172433 /nfs/dbraw/zinc/17/24/33/1315172433.db2.gz DTIHSQZBXVLLOY-HNAYVOBHSA-N 0 3 348.450 2.975 20 10 EFCDHN [O-]c1ccccc1C[N@H+]1CC[C@H]2CN(Cc3nc4ccccc4[nH]3)C[C@H]21 ZINC001278551217 1315172436 /nfs/dbraw/zinc/17/24/36/1315172436.db2.gz DTIHSQZBXVLLOY-HNAYVOBHSA-N 0 3 348.450 2.975 20 10 EFCDHN COCC[NH+](CCOC)Cc1cc(C)c(Br)cc1[O-] ZINC001250116626 1315174713 /nfs/dbraw/zinc/17/47/13/1315174713.db2.gz DYVPPUFVGHXDGA-UHFFFAOYSA-N 0 3 332.238 2.558 20 10 EFCDHN Cc1cc(CN2CCN(CC3CC3)CC2)c(O)cc1Br ZINC001250128879 1315176919 /nfs/dbraw/zinc/17/69/19/1315176919.db2.gz NOGHFQFCYPGAHZ-UHFFFAOYSA-N 0 3 339.277 2.991 20 10 EFCDHN C[C@@H]1CC[C@@H](Oc2c(O)c([O-])ccc2C(=O)c2ccccc2)C[NH2+]1 ZINC001218399405 1315190031 /nfs/dbraw/zinc/19/00/31/1315190031.db2.gz PZYBLYJNXHUPNJ-TZMCWYRMSA-N 0 3 327.380 2.848 20 10 EFCDHN O=C1c2cccc(O[C@H]3C[NH2+]CCC34CC4)c2C(=O)c2cccc([O-])c21 ZINC001218405012 1315191074 /nfs/dbraw/zinc/19/10/74/1315191074.db2.gz MMYJVKHQMMMCEF-INIZCTEOSA-N 0 3 349.386 2.689 20 10 EFCDHN C[C@@H]1CC[C@H](Oc2cccc3c2C(=O)c2cccc([O-])c2C3=O)C[NH2+]1 ZINC001218408320 1315191778 /nfs/dbraw/zinc/19/17/78/1315191778.db2.gz USYIEUJOCUAYCZ-NEPJUHHUSA-N 0 3 337.375 2.687 20 10 EFCDHN C[C@H]1C[NH2+]CC[C@H]1Oc1cccc2c1C(=O)c1cccc([O-])c1C2=O ZINC001218414424 1315192772 /nfs/dbraw/zinc/19/27/72/1315192772.db2.gz KWJPWIVBKFQROQ-XHDPSFHLSA-N 0 3 337.375 2.544 20 10 EFCDHN C[C@@H]1C[NH2+]CC[C@H]1Oc1cccc2c1C(=O)c1cccc([O-])c1C2=O ZINC001218414422 1315192970 /nfs/dbraw/zinc/19/29/70/1315192970.db2.gz KWJPWIVBKFQROQ-IAQYHMDHSA-N 0 3 337.375 2.544 20 10 EFCDHN Cc1cc(O[C@H]2[C@@H]3CC[C@H]2[NH2+]C3)c2c(c1)C(=O)c1cccc([O-])c1C2=O ZINC001218445022 1315196529 /nfs/dbraw/zinc/19/65/29/1315196529.db2.gz PQNQKGBIOQQNMY-DAKYAEBGSA-N 0 3 349.386 2.605 20 10 EFCDHN O=C1c2cccc([O-])c2C(=O)c2c(O[C@@H]3CC[C@H]4C[NH2+]C[C@@H]43)cccc21 ZINC001218473853 1315201888 /nfs/dbraw/zinc/20/18/88/1315201888.db2.gz SBCXFJXYBLTMHP-HZUKXOBISA-N 0 3 349.386 2.544 20 10 EFCDHN COc1cc(O)c(CN2CC3(CCN3C3CCCC3)C2)cc1OC ZINC001276788881 1315211624 /nfs/dbraw/zinc/21/16/24/1315211624.db2.gz BNDMPOMRHRUGAN-UHFFFAOYSA-N 0 3 332.444 2.612 20 10 EFCDHN Nc1nc2cc(NC(=O)C[C@@H]([NH3+])c3ccccc3[O-])ccc2s1 ZINC001219247481 1315294367 /nfs/dbraw/zinc/29/43/67/1315294367.db2.gz GCEFBEMDBMHMME-LLVKDONJSA-N 0 3 328.397 2.613 20 10 EFCDHN CCc1ccc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3Cc2cn[nH]c2)c([O-])c1 ZINC001276804862 1315313465 /nfs/dbraw/zinc/31/34/65/1315313465.db2.gz MGZLLMMSYKQKAS-ROUUACIJSA-N 0 3 326.444 2.527 20 10 EFCDHN CCc1ccc(C[N@H+]2CC[C@H]3[C@@H]2CCN3Cc2cn[nH]c2)c([O-])c1 ZINC001276804862 1315313470 /nfs/dbraw/zinc/31/34/70/1315313470.db2.gz MGZLLMMSYKQKAS-ROUUACIJSA-N 0 3 326.444 2.527 20 10 EFCDHN CCc1ccc(CN2C[C@@H]3COC[C@H](C2)N3C2CCCC2)c(O)c1 ZINC001276805006 1315316503 /nfs/dbraw/zinc/31/65/03/1315316503.db2.gz PCTXAOJRHFIMEI-KDURUIRLSA-N 0 3 330.472 2.782 20 10 EFCDHN CCCC[C@H]([NH2+]C)C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001220212744 1315385486 /nfs/dbraw/zinc/38/54/86/1315385486.db2.gz UXBIREKPOXZDLG-AWEZNQCLSA-N 0 3 335.835 2.988 20 10 EFCDHN [NH3+]Cc1ccccc1C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001220212311 1315385984 /nfs/dbraw/zinc/38/59/84/1315385984.db2.gz DJAZBCZNHGWNIP-UHFFFAOYSA-N 0 3 341.798 2.983 20 10 EFCDHN CC[C@@H](C)CN1CC[C@@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001039060598 1315433874 /nfs/dbraw/zinc/43/38/74/1315433874.db2.gz LXEGPYOEYWTOBR-IUODEOHRSA-N 0 3 331.420 2.699 20 10 EFCDHN CC[C@H](C)CN1CC[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001039060601 1315434088 /nfs/dbraw/zinc/43/40/88/1315434088.db2.gz LXEGPYOEYWTOBR-WFASDCNBSA-N 0 3 331.420 2.699 20 10 EFCDHN [O-]c1cc(O)ccc1C[NH2+]C[C@H](O)COc1cccc2ccccc21 ZINC001252397708 1315445999 /nfs/dbraw/zinc/44/59/99/1315445999.db2.gz AUDJNRBJGOLXIN-KRWDZBQOSA-N 0 3 339.391 2.781 20 10 EFCDHN CCC[C@H](O)CN1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001252788491 1315508190 /nfs/dbraw/zinc/50/81/90/1315508190.db2.gz ZAXSFASFBSQAMY-AWEZNQCLSA-N 0 3 332.366 2.868 20 10 EFCDHN CCCC[C@H](CC)COC[C@@H](O)C[NH2+]Cc1ccc(O)cc1[O-] ZINC001253023539 1315555469 /nfs/dbraw/zinc/55/54/69/1315555469.db2.gz WMYMIHLDHQFIMG-YOEHRIQHSA-N 0 3 325.449 2.781 20 10 EFCDHN CCN(Cc1ccc(N2CCN(C)CC2)c(F)c1)Cc1ccccn1 ZINC001254010698 1315665510 /nfs/dbraw/zinc/66/55/10/1315665510.db2.gz JXJWPQHZWDCWEH-UHFFFAOYSA-N 0 3 342.462 2.995 20 10 EFCDHN CCOc1ccc(N2CCN(C3C[C@@H]4CC(=O)C[C@H]4C3)CC2)cc1 ZINC001254964464 1315766741 /nfs/dbraw/zinc/76/67/41/1315766741.db2.gz QPQIOZVFEBKCHA-HZPDHXFCSA-N 0 3 328.456 2.965 20 10 EFCDHN COc1ccc(N2CCN(C[C@@H](O)[C@@H](C)c3ccccc3)CC2)cc1 ZINC000827311381 1315977947 /nfs/dbraw/zinc/97/79/47/1315977947.db2.gz ZDSFHKNVJKRWND-LAUBAEHRSA-N 0 3 340.467 2.982 20 10 EFCDHN Cc1cc(CNCc2ccc(N3CCN(C)CC3)c(F)c2)cc(C)n1 ZINC001261387497 1316408796 /nfs/dbraw/zinc/40/87/96/1316408796.db2.gz CZEKGROLXLRUBM-UHFFFAOYSA-N 0 3 342.462 2.879 20 10 EFCDHN Cc1cccc(CN2CC3(CN(Cc4nc5ccccc5[nH]4)C3)C2)c1O ZINC001279289951 1317227870 /nfs/dbraw/zinc/22/78/70/1317227870.db2.gz CDQIODWCRZASGU-UHFFFAOYSA-N 0 3 348.450 2.895 20 10 EFCDHN [O-]c1ccc2ccccc2c1C[NH+]1CC2(C1)CCN(Cc1cn[nH]c1)C2 ZINC001279294048 1317228097 /nfs/dbraw/zinc/22/80/97/1317228097.db2.gz QYNWESCEWJPMRT-UHFFFAOYSA-N 0 3 348.450 2.976 20 10 EFCDHN O=C(Nc1cccc2nccn21)[C@H]1CC12CN(Cc1ccccc1O)C2 ZINC001279969092 1317425992 /nfs/dbraw/zinc/42/59/92/1317425992.db2.gz SYKSVICDFRHVQC-OAHLLOKOSA-N 0 3 348.406 2.501 20 10 EFCDHN O=C(Nc1cccc2nccn21)[C@@H]1CC12CN(Cc1ccccc1O)C2 ZINC001279969091 1317426022 /nfs/dbraw/zinc/42/60/22/1317426022.db2.gz SYKSVICDFRHVQC-HNNXBMFYSA-N 0 3 348.406 2.501 20 10 EFCDHN C[C@H]1SCCN(Cc2ccc(N3CCN(C)CC3)c(F)c2)[C@H]1C ZINC001319712631 1328960233 /nfs/dbraw/zinc/96/02/33/1328960233.db2.gz PTRJIWAOMLUQKG-LSDHHAIUSA-N 0 3 337.508 2.903 20 10 EFCDHN COc1cccc([O-])c1C[NH2+][C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001319973140 1329046503 /nfs/dbraw/zinc/04/65/03/1329046503.db2.gz NBJNIUWCJASPRH-MRXNPFEDSA-N 0 3 340.423 2.795 20 10 EFCDHN [O-]c1cc2c(cc1C[NH+]1CCC(n3cc(Cl)cn3)CC1)[C@H](O)CO2 ZINC001320048012 1329064272 /nfs/dbraw/zinc/06/42/72/1329064272.db2.gz QRDQRHDITRDXSV-MRXNPFEDSA-N 0 3 349.818 2.505 20 10 EFCDHN CS[C@H]1CC[C@@H](N(C)CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC001327314122 1330458488 /nfs/dbraw/zinc/45/84/88/1330458488.db2.gz WAIDHZXICHHFAZ-SJORKVTESA-N 0 3 335.517 2.585 20 10 EFCDHN CS[C@@H]1CC[C@@H](N(C)CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC001327314114 1330458521 /nfs/dbraw/zinc/45/85/21/1330458521.db2.gz WAIDHZXICHHFAZ-IAGOWNOFSA-N 0 3 335.517 2.585 20 10 EFCDHN CN1CCN(c2ccc(CN3CCSC[C@H]3C3CC3)cc2F)CC1 ZINC001327953827 1330533849 /nfs/dbraw/zinc/53/38/49/1330533849.db2.gz ZMROLYXLENPVCT-IBGZPJMESA-N 0 3 349.519 2.905 20 10 EFCDHN Cc1occc1CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001333694606 1331195760 /nfs/dbraw/zinc/19/57/60/1331195760.db2.gz GVZKJCNAKXXNIH-GOSISDBHSA-N 0 3 344.459 2.756 20 10 EFCDHN COc1ccc(CN[C@@H](C)C(=O)Nc2ccccc2)c(O)c1OC ZINC001334174824 1331260609 /nfs/dbraw/zinc/26/06/09/1331260609.db2.gz XLTKEGZRHYBXPZ-LBPRGKRZSA-N 0 3 330.384 2.526 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=O)NCCCC(F)F)N(C)C)cc1 ZINC001335561963 1331374408 /nfs/dbraw/zinc/37/44/08/1331374408.db2.gz XXVNMPNFNSBTMT-OAHLLOKOSA-N 0 3 342.434 2.700 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)N2CC3(C2)CCCC3)N(C)C)cc1 ZINC001335582628 1331376890 /nfs/dbraw/zinc/37/68/90/1331376890.db2.gz NKRROUAUAWSKCJ-SFHVURJKSA-N 0 3 344.503 2.941 20 10 EFCDHN Cc1ccc(CN2CC[C@H](NC(=O)NCc3ccc(N)cc3)C2)cc1 ZINC001336160017 1331441145 /nfs/dbraw/zinc/44/11/45/1331441145.db2.gz QKYVWFIAVNBPNJ-IBGZPJMESA-N 0 3 338.455 2.651 20 10 EFCDHN COC(=O)c1ccc(N2CCN(Cc3ccc(N)cc3)[C@H](C)C2)cc1 ZINC001336284916 1331455164 /nfs/dbraw/zinc/45/51/64/1331455164.db2.gz DSSBOVCVFWOJCB-OAHLLOKOSA-N 0 3 339.439 2.766 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CCOC(C)(C)C2)N(C)C)cc1 ZINC001337459714 1331577080 /nfs/dbraw/zinc/57/70/80/1331577080.db2.gz RPOVJKDWOYJERX-FUHWJXTLSA-N 0 3 347.503 2.677 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)/C=C/c2nccs2)N(C)C)cc1 ZINC001339018614 1331770651 /nfs/dbraw/zinc/77/06/51/1331770651.db2.gz OGBVCSVCFYUJGB-SCOAYWHSSA-N 0 3 344.484 2.641 20 10 EFCDHN CC[C@H](C)C[C@@H](N)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC001341571221 1332268841 /nfs/dbraw/zinc/26/88/41/1332268841.db2.gz MPXGRLNOLMFICU-WMLDXEAASA-N 0 3 335.517 2.620 20 10 EFCDHN CC(=O)OC[C@H](C)[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC001355255121 1334725546 /nfs/dbraw/zinc/72/55/46/1334725546.db2.gz UNXINNJODYUFEL-BLLLJJGKSA-N 0 3 340.851 2.551 20 10 EFCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCC[C@H]2O)c1[O-] ZINC000848552896 1334791434 /nfs/dbraw/zinc/79/14/34/1334791434.db2.gz PMUVBEBDGCRBOL-XXILOJSOSA-N 0 3 330.222 2.727 20 10 EFCDHN CCN(C)c1ccc([C@@H](C)NCc2n[nH]c([C@H]3CCCO3)n2)cc1 ZINC000848557239 1334794051 /nfs/dbraw/zinc/79/40/51/1334794051.db2.gz IHHSZTTXAVHJSF-CZUORRHYSA-N 0 3 329.448 2.963 20 10 EFCDHN CCN(CC)c1ccc(CNCc2n[nH]c([C@@H]3CCCO3)n2)cc1 ZINC000848562463 1334795843 /nfs/dbraw/zinc/79/58/43/1334795843.db2.gz KFJUZJGDUVVXRY-INIZCTEOSA-N 0 3 329.448 2.792 20 10 EFCDHN CCc1cccc(CN(C)[C@@H](C)c2cccc(S(N)(=O)=O)c2)c1O ZINC000848883208 1334960086 /nfs/dbraw/zinc/96/00/86/1334960086.db2.gz KUICBBQEOZEQDQ-ZDUSSCGKSA-N 0 3 348.468 2.795 20 10 EFCDHN CC1CCC(N2CCN(C(=O)NCc3ccc(N)cc3)CC2)CC1 ZINC001357792437 1335333656 /nfs/dbraw/zinc/33/36/56/1335333656.db2.gz XRXQOBVFQLWXSA-UHFFFAOYSA-N 0 3 330.476 2.675 20 10 EFCDHN CCN1CCN(Cc2cc(Br)cc(C)c2O)C[C@H]1C ZINC000252729709 712962654 /nfs/dbraw/zinc/96/26/54/712962654.db2.gz HYQGZTYWRJSEQH-GFCCVEGCSA-N 0 3 327.266 2.989 20 10 EFCDHN Cc1nsc(C)c1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891246277 714132578 /nfs/dbraw/zinc/13/25/78/714132578.db2.gz BUHMDSXWUSVFEU-INIZCTEOSA-N 0 3 346.500 2.859 20 10 EFCDHN Cc1nc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)sc1C ZINC000891246733 714132928 /nfs/dbraw/zinc/13/29/28/714132928.db2.gz CLEFHCXQVAROSC-MRXNPFEDSA-N 0 3 346.500 2.859 20 10 EFCDHN COCCC(C)(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891246756 714133084 /nfs/dbraw/zinc/13/30/84/714133084.db2.gz CYNHDVCVVXMZPU-KRWDZBQOSA-N 0 3 335.492 2.534 20 10 EFCDHN CO[C@@H]1CCC[C@@H](C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC000891247097 714134704 /nfs/dbraw/zinc/13/47/04/714134704.db2.gz HJYJGOBXDCJRLK-BHIYHBOVSA-N 0 3 347.503 2.677 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=O)C(C)(Cl)Cl)N(C)C)cc1 ZINC000891248341 714136016 /nfs/dbraw/zinc/13/60/16/714136016.db2.gz KWEDNKSRSDKKFA-CYBMUJFWSA-N 0 3 332.275 2.665 20 10 EFCDHN CCc1c(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)ccn1C ZINC000891247808 714136456 /nfs/dbraw/zinc/13/64/56/714136456.db2.gz KOVSCGCSKGEFCX-IBGZPJMESA-N 0 3 342.487 2.686 20 10 EFCDHN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891247842 714136556 /nfs/dbraw/zinc/13/65/56/714136556.db2.gz VOZRYDQCURQLKJ-ZWHCBUBPSA-N 0 3 347.503 2.531 20 10 EFCDHN CO[C@H](CC(C)C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891248945 714139983 /nfs/dbraw/zinc/13/99/83/714139983.db2.gz OZBTXMFJCGCWNK-QZTJIDSGSA-N 0 3 335.492 2.533 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)[C@@]2(C)CC2(F)F)N(C)C)cc1 ZINC000891250609 714140587 /nfs/dbraw/zinc/14/05/87/714140587.db2.gz YFVGXIOVPKKFCF-GOEBONIOSA-N 0 3 325.403 2.517 20 10 EFCDHN CCC1(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)CCOCC1 ZINC000891250135 714141930 /nfs/dbraw/zinc/14/19/30/714141930.db2.gz ZNTFMCOUTHLQRB-GOSISDBHSA-N 0 3 347.503 2.678 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)[C@H]2CC2(Cl)Cl)N(C)C)cc1 ZINC000891252073 714142727 /nfs/dbraw/zinc/14/27/27/714142727.db2.gz FRRXPVHOZBVZQZ-KGLIPLIRSA-N 0 3 344.286 2.665 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CC2(Cl)Cl)N(C)C)cc1 ZINC000891252075 714142765 /nfs/dbraw/zinc/14/27/65/714142765.db2.gz FRRXPVHOZBVZQZ-ZIAGYGMSSA-N 0 3 344.286 2.665 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=O)c2cccc(Cl)n2)N(C)C)cc1 ZINC000891252147 714142874 /nfs/dbraw/zinc/14/28/74/714142874.db2.gz HBDKBOFKEOJBIT-MRXNPFEDSA-N 0 3 346.862 2.834 20 10 EFCDHN CC(C)c1cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)on1 ZINC000891251853 714145577 /nfs/dbraw/zinc/14/55/77/714145577.db2.gz HOOBKPJXBIJFSJ-KRWDZBQOSA-N 0 3 344.459 2.897 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)C2CC(F)(F)C2)N(C)C)cc1 ZINC000891252360 714146786 /nfs/dbraw/zinc/14/67/86/714146786.db2.gz JXHPTADGXLIPHA-HNNXBMFYSA-N 0 3 325.403 2.517 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=O)CC[C@H]2CCCCO2)N(C)C)cc1 ZINC000891252329 714146975 /nfs/dbraw/zinc/14/69/75/714146975.db2.gz JKPZDOXJWVCOLI-RTBURBONSA-N 0 3 347.503 2.821 20 10 EFCDHN COCCC1(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)CCC1 ZINC000891253871 714148005 /nfs/dbraw/zinc/14/80/05/714148005.db2.gz UYSMWYRFAAMIGA-SFHVURJKSA-N 0 3 347.503 2.678 20 10 EFCDHN CNc1ccccc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891254770 714150134 /nfs/dbraw/zinc/15/01/34/714150134.db2.gz JDYWDVOCZXPMPT-IBGZPJMESA-N 0 3 340.471 2.827 20 10 EFCDHN CCc1ncc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)s1 ZINC000891256278 714150664 /nfs/dbraw/zinc/15/06/64/714150664.db2.gz WXAXIXJVFQYYBZ-HNNXBMFYSA-N 0 3 346.500 2.804 20 10 EFCDHN Cc1cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)c(C)n1C ZINC000891255503 714151839 /nfs/dbraw/zinc/15/18/39/714151839.db2.gz QMCNNYXJUFMDHS-LJQANCHMSA-N 0 3 342.487 2.741 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)/C=C/c2ccco2)N(C)C)cc1 ZINC000891258111 714152126 /nfs/dbraw/zinc/15/21/26/714152126.db2.gz NREUJMIXAISXTF-DXRVJIQQSA-N 0 3 327.428 2.778 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=O)Cc2ccccc2F)N(C)C)cc1 ZINC000891258425 714153338 /nfs/dbraw/zinc/15/33/38/714153338.db2.gz SMQYARFLEQKOCU-LJQANCHMSA-N 0 3 343.446 2.853 20 10 EFCDHN C[C@@H](NCC(=O)Nc1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000160784770 714476979 /nfs/dbraw/zinc/47/69/79/714476979.db2.gz LDSCGDJFQXYBJC-MRXNPFEDSA-N 0 3 339.439 2.813 20 10 EFCDHN COc1ccc(OC)c(CNCc2ccc(OC)c(OC)c2O)c1 ZINC000892501803 717993981 /nfs/dbraw/zinc/99/39/81/717993981.db2.gz DYBZYBRPALIDFY-UHFFFAOYSA-N 0 3 333.384 2.716 20 10 EFCDHN COc1ccc(CN2CC(c3nc4ccccc4[nH]3)C2)c(O)c1OC ZINC000892105256 715254998 /nfs/dbraw/zinc/25/49/98/715254998.db2.gz YISYUHLDCYHNTP-UHFFFAOYSA-N 0 3 339.395 2.885 20 10 EFCDHN C[C@@H]([NH2+]C[C@@H]1COCCN1C(=O)OC(C)(C)C)c1ccccc1[O-] ZINC000310080036 717423883 /nfs/dbraw/zinc/42/38/83/717423883.db2.gz UQCLXQKAZBUCEB-ZIAGYGMSSA-N 0 3 336.432 2.679 20 10 EFCDHN COc1ccc(N2CCN(C(=O)[C@@H](N)CC3CCCCC3)CC2)cc1 ZINC000327820302 718607289 /nfs/dbraw/zinc/60/72/89/718607289.db2.gz MQPYTSMBLNKHCQ-IBGZPJMESA-N 0 3 345.487 2.642 20 10 EFCDHN CCN1CCN(c2ccc(CN[C@H](C)c3c[nH]nc3C)cc2F)CC1 ZINC000180498443 719942445 /nfs/dbraw/zinc/94/24/45/719942445.db2.gz LJYFSDUGYIZEHR-CQSZACIVSA-N 0 3 345.466 2.850 20 10 EFCDHN COc1ccc(NC(=O)CN[C@H](C)c2cc(OC)ccc2O)cc1 ZINC000182349675 720118238 /nfs/dbraw/zinc/11/82/38/720118238.db2.gz HTDHPIAKKNGMGQ-GFCCVEGCSA-N 0 3 330.384 2.699 20 10 EFCDHN COc1ccc(O)c([C@H](C)NCC(=O)N([C@@H](C)C2CC2)C2CC2)c1 ZINC000182414022 720126695 /nfs/dbraw/zinc/12/66/95/720126695.db2.gz DFMXFRVZAMXEBC-STQMWFEESA-N 0 3 332.444 2.841 20 10 EFCDHN COc1ccc(CNCC(=O)Nc2c(C)cccc2C)c(O)c1OC ZINC000893329595 720672169 /nfs/dbraw/zinc/67/21/69/720672169.db2.gz FJFWXWWHZQIQFY-UHFFFAOYSA-N 0 3 344.411 2.755 20 10 EFCDHN CNS(=O)(=O)c1ccc([C@@H](C)NCc2ccc(N(C)C)cc2)cc1 ZINC000067247972 721084236 /nfs/dbraw/zinc/08/42/36/721084236.db2.gz PMVXJILMRZHOIU-CQSZACIVSA-N 0 3 347.484 2.512 20 10 EFCDHN COc1cc(C)cc(CN[C@@H](C[S@](C)=O)c2ccccc2)c1O ZINC000894424669 722732944 /nfs/dbraw/zinc/73/29/44/722732944.db2.gz LBQTVXTUOYSYEX-HJPURHCSSA-N 0 3 333.453 2.919 20 10 EFCDHN COc1cc(C)cc(CN[C@H](C[S@](C)=O)c2ccccc2)c1O ZINC000894424671 722733017 /nfs/dbraw/zinc/73/30/17/722733017.db2.gz LBQTVXTUOYSYEX-MWTRTKDXSA-N 0 3 333.453 2.919 20 10 EFCDHN COC(=O)[C@H](C)Oc1ccccc1CNCc1cccc(OC)c1O ZINC000894457637 722741968 /nfs/dbraw/zinc/74/19/68/722741968.db2.gz FQWKZVNNCPLRBP-ZDUSSCGKSA-N 0 3 345.395 2.631 20 10 EFCDHN COc1ccc(CN2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c(O)c1OC ZINC000894553965 722781150 /nfs/dbraw/zinc/78/11/50/722781150.db2.gz VYQJALXZBFZXJZ-MAUKXSAKSA-N 0 3 333.428 2.943 20 10 EFCDHN COc1cc(C)cc(CN(Cc2cccc(C(N)=O)c2)C2CC2)c1O ZINC000894875947 722932516 /nfs/dbraw/zinc/93/25/16/722932516.db2.gz CWNNZDNWWLEKFI-UHFFFAOYSA-N 0 3 340.423 2.973 20 10 EFCDHN CCc1cccc(NC(=O)CNCc2cc(C)cc(OC)c2O)c1 ZINC000895038236 723057295 /nfs/dbraw/zinc/05/72/95/723057295.db2.gz LCFKXWMEDJBTOZ-UHFFFAOYSA-N 0 3 328.412 3.000 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)NCCC(C)(F)F)N(C)C)cc1 ZINC000895069837 723173047 /nfs/dbraw/zinc/17/30/47/723173047.db2.gz QZIXOSZCUGZOJY-HNNXBMFYSA-N 0 3 342.434 2.700 20 10 EFCDHN COc1cccc(O)c1CNC[C@@](O)(c1ccccc1)C(F)(F)F ZINC000727837132 723197012 /nfs/dbraw/zinc/19/70/12/723197012.db2.gz LBHWRQMVIADWEL-MRXNPFEDSA-N 0 3 341.329 2.941 20 10 EFCDHN CN(C)c1ccnc(C[NH2+]Cc2ccc(Br)cc2[O-])c1 ZINC000896298681 723238609 /nfs/dbraw/zinc/23/86/09/723238609.db2.gz KWJVHFLLLPUNLY-UHFFFAOYSA-N 0 3 336.233 2.906 20 10 EFCDHN CCO/C=C/[C@@](O)(CNCc1ccc(OC)c(C)c1)C(F)(F)F ZINC000895706810 724266505 /nfs/dbraw/zinc/26/65/05/724266505.db2.gz IMKHJFZJFHYVGK-MVGZEHJDSA-N 0 3 333.350 2.937 20 10 EFCDHN CCO/C=C\[C@@](O)(CNCc1ccc2c(c1)CCCO2)C(F)(F)F ZINC000895718266 724278306 /nfs/dbraw/zinc/27/83/06/724278306.db2.gz LYJVYCXAAFNQJV-DZFYGRHCSA-N 0 3 345.361 2.945 20 10 EFCDHN COc1cc(Br)cc(C[NH2+]C[C@]2(C)CCCO2)c1[O-] ZINC000152915715 726289927 /nfs/dbraw/zinc/28/99/27/726289927.db2.gz JYLWGLGXPDPHPB-AWEZNQCLSA-N 0 3 330.222 2.822 20 10 EFCDHN C[C@@H]1CN(Cc2ccccc2)CCN1Cc1cc2c(cc1O)OCO2 ZINC000732187074 727002033 /nfs/dbraw/zinc/00/20/33/727002033.db2.gz GYDANLCABXMZFR-OAHLLOKOSA-N 0 3 340.423 2.827 20 10 EFCDHN O=C(C[N@@H+](Cc1ccccc1[O-])C1CCCC1)NCc1ccccn1 ZINC000732204547 727004481 /nfs/dbraw/zinc/00/44/81/727004481.db2.gz MPYRVYNJOJRTJX-UHFFFAOYSA-N 0 3 339.439 2.848 20 10 EFCDHN O=C(C[N@H+](Cc1ccccc1[O-])C1CCCC1)NCc1ccccn1 ZINC000732204547 727004483 /nfs/dbraw/zinc/00/44/83/727004483.db2.gz MPYRVYNJOJRTJX-UHFFFAOYSA-N 0 3 339.439 2.848 20 10 EFCDHN CCOc1ccc(C[NH2+]CC2(N3CCCCC3)CCOCC2)c([O-])c1 ZINC000732231450 727007674 /nfs/dbraw/zinc/00/76/74/727007674.db2.gz XQVWKRBQRCRYCO-UHFFFAOYSA-N 0 3 348.487 2.916 20 10 EFCDHN O=C(NC1CC[NH+](CCc2ccccc2)CC1)c1cc([O-])cs1 ZINC000732270691 727012835 /nfs/dbraw/zinc/01/28/35/727012835.db2.gz ZFPQZCPSKPVWCS-UHFFFAOYSA-N 0 3 330.453 2.891 20 10 EFCDHN O=C(NC1CCN(CCc2ccccc2)CC1)C1=CC(=O)CS1 ZINC000732270691 727012838 /nfs/dbraw/zinc/01/28/38/727012838.db2.gz ZFPQZCPSKPVWCS-UHFFFAOYSA-N 0 3 330.453 2.891 20 10 EFCDHN COc1cc(C)cc(CN(C)C[C@@H]2COc3ccccc3O2)c1O ZINC000915825352 727177688 /nfs/dbraw/zinc/17/76/88/727177688.db2.gz XJPXUBWUIGVJRI-OAHLLOKOSA-N 0 3 329.396 2.981 20 10 EFCDHN CC(=O)c1ccc(C(=O)NC[C@H](N)c2ccc(N(C)C)cc2)cc1C ZINC000911666012 727576519 /nfs/dbraw/zinc/57/65/19/727576519.db2.gz GOTWPTLOHALVKC-IBGZPJMESA-N 0 3 339.439 2.693 20 10 EFCDHN CN1CCCC[C@H]1CNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000912067737 727646831 /nfs/dbraw/zinc/64/68/31/727646831.db2.gz HMUSLTYQZITQID-SFHVURJKSA-N 0 3 330.476 2.570 20 10 EFCDHN CC1CCN(c2ccc(CN[C@@H]3CCCS(=O)(=O)C3)cc2)CC1 ZINC000182909235 727865216 /nfs/dbraw/zinc/86/52/16/727865216.db2.gz JVRZKEHZPJTTLK-QGZVFWFLSA-N 0 3 336.501 2.590 20 10 EFCDHN COc1ccc(O)c([C@@H](C)NCC(=O)NCc2ccc(C)cc2)c1 ZINC000182364147 728118148 /nfs/dbraw/zinc/11/81/48/728118148.db2.gz GEUIMNSDNXHSNI-CQSZACIVSA-N 0 3 328.412 2.676 20 10 EFCDHN COc1cc(CN(C)Cc2ccc(N3CCOCC3)cc2)ccc1O ZINC000179943852 729660988 /nfs/dbraw/zinc/66/09/88/729660988.db2.gz IMDVUSNGSQLTED-UHFFFAOYSA-N 0 3 342.439 2.869 20 10 EFCDHN CCOc1ccc(C[NH2+][C@@](C)(CO)Cc2ccccc2OC)c([O-])c1 ZINC000865715933 1126115206 /nfs/dbraw/zinc/11/52/06/1126115206.db2.gz IDWBZSZPCQJWOC-HXUWFJFHSA-N 0 3 345.439 2.883 20 10 EFCDHN C[C@H]([NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)c1ccc(N(C)C)cc1 ZINC001589968232 1093200683 /nfs/dbraw/zinc/20/06/83/1093200683.db2.gz RBENRNFUVAGQJR-LBPRGKRZSA-N 0 3 340.406 2.923 20 10 EFCDHN CCOc1cccc(C[NH2+]Cc2ccc(C)c(-c3nn[n-]n3)c2)c1O ZINC001590841586 1093594800 /nfs/dbraw/zinc/59/48/00/1093594800.db2.gz VWRSMSUSBUPCPI-UHFFFAOYSA-N 0 3 339.399 2.569 20 10 EFCDHN CN1CCCc2cc(C[NH2+]Cc3cccc(-c4nnn[n-]4)c3)ccc21 ZINC001591190728 1093677270 /nfs/dbraw/zinc/67/72/70/1093677270.db2.gz UDHDVZDATHYHFQ-UHFFFAOYSA-N 0 3 334.427 2.539 20 10 EFCDHN CN1CCCc2cc(C[NH2+]Cc3cccc(-c4nn[n-]n4)c3)ccc21 ZINC001591190728 1093677275 /nfs/dbraw/zinc/67/72/75/1093677275.db2.gz UDHDVZDATHYHFQ-UHFFFAOYSA-N 0 3 334.427 2.539 20 10 EFCDHN COc1cc(C[NH2+][C@@H](C)c2cc(C)ccc2O)ccc1-c1nnn[n-]1 ZINC001591533988 1093755233 /nfs/dbraw/zinc/75/52/33/1093755233.db2.gz UVNYFBUFPRNNQC-LBPRGKRZSA-N 0 3 339.399 2.740 20 10 EFCDHN COc1cc(C[NH2+][C@@H](C)c2cc(C)ccc2O)ccc1-c1nn[n-]n1 ZINC001591533988 1093755239 /nfs/dbraw/zinc/75/52/39/1093755239.db2.gz UVNYFBUFPRNNQC-LBPRGKRZSA-N 0 3 339.399 2.740 20 10 EFCDHN Cc1cc(N(C)C)ccc1C[N@H+](C)Cc1cccc(-c2nnn[n-]2)c1 ZINC001591995650 1093950699 /nfs/dbraw/zinc/95/06/99/1093950699.db2.gz KSNNJRFRPVXKTI-UHFFFAOYSA-N 0 3 336.443 2.873 20 10 EFCDHN Cc1cc(N(C)C)ccc1C[N@@H+](C)Cc1cccc(-c2nnn[n-]2)c1 ZINC001591995650 1093950700 /nfs/dbraw/zinc/95/07/00/1093950700.db2.gz KSNNJRFRPVXKTI-UHFFFAOYSA-N 0 3 336.443 2.873 20 10 EFCDHN Cc1cc(N(C)C)ccc1C[N@H+](C)Cc1cccc(-c2nn[n-]n2)c1 ZINC001591995650 1093950701 /nfs/dbraw/zinc/95/07/01/1093950701.db2.gz KSNNJRFRPVXKTI-UHFFFAOYSA-N 0 3 336.443 2.873 20 10 EFCDHN Cc1cc(N(C)C)ccc1C[N@@H+](C)Cc1cccc(-c2nn[n-]n2)c1 ZINC001591995650 1093950702 /nfs/dbraw/zinc/95/07/02/1093950702.db2.gz KSNNJRFRPVXKTI-UHFFFAOYSA-N 0 3 336.443 2.873 20 10 EFCDHN Cc1cc(N(C)C)ccc1C[NH2+]CCc1ccc(-c2nnn[n-]2)cc1 ZINC001591995795 1093951955 /nfs/dbraw/zinc/95/19/55/1093951955.db2.gz ZOXPUXJSSLWEGD-UHFFFAOYSA-N 0 3 336.443 2.573 20 10 EFCDHN Cc1cc(N(C)C)ccc1C[NH2+]CCc1ccc(-c2nn[n-]n2)cc1 ZINC001591995795 1093951957 /nfs/dbraw/zinc/95/19/57/1093951957.db2.gz ZOXPUXJSSLWEGD-UHFFFAOYSA-N 0 3 336.443 2.573 20 10 EFCDHN COc1cc(C[NH2+][C@@H](C)c2ccc(C)cc2O)ccc1-c1nnn[n-]1 ZINC001605219236 1097056619 /nfs/dbraw/zinc/05/66/19/1097056619.db2.gz XDQWXBMQLQDPKR-LBPRGKRZSA-N 0 3 339.399 2.740 20 10 EFCDHN COc1cc([O-])c(CN2C[C@@H](C[NH3+])CC[C@H]2C)c(Br)c1 ZINC001206810774 1101679128 /nfs/dbraw/zinc/67/91/28/1101679128.db2.gz PLPYOZVFYMDNDH-GHMZBOCLSA-N 0 3 343.265 2.723 20 10 EFCDHN COc1cc([O-])c(CN2C[C@H](C[NH3+])CC[C@H]2C)c(Br)c1 ZINC001206810775 1101679191 /nfs/dbraw/zinc/67/91/91/1101679191.db2.gz PLPYOZVFYMDNDH-MNOVXSKESA-N 0 3 343.265 2.723 20 10 EFCDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2CCCNC2=O)c1[O-] ZINC000840826210 1101754114 /nfs/dbraw/zinc/75/41/14/1101754114.db2.gz STMVVXQKKFNMIT-WDEREUQCSA-N 0 3 341.249 2.640 20 10 EFCDHN O=C(/C=C\c1ccc(O)c(O)c1)N1CCN(CC2CCCCC2)CC1 ZINC000588405533 1101917169 /nfs/dbraw/zinc/91/71/69/1101917169.db2.gz AFXANHJHXZQVMB-CLFYSBASSA-N 0 3 344.455 2.836 20 10 EFCDHN CCOc1ccc(C[N@@H+]2CCC[C@@H](Cc3nc(C)no3)C2)c([O-])c1 ZINC000897579274 1105776826 /nfs/dbraw/zinc/77/68/26/1105776826.db2.gz SJSCHVQSEDOMJW-AWEZNQCLSA-N 0 3 331.416 2.937 20 10 EFCDHN CCOc1ccc(C[N@H+]2CCC[C@@H](Cc3nc(C)no3)C2)c([O-])c1 ZINC000897579274 1105776830 /nfs/dbraw/zinc/77/68/30/1105776830.db2.gz SJSCHVQSEDOMJW-AWEZNQCLSA-N 0 3 331.416 2.937 20 10 EFCDHN CCOc1ccc(C[NH+]2CCC(N3CCCOC3=O)CC2)c([O-])c1 ZINC000897590761 1105813122 /nfs/dbraw/zinc/81/31/22/1105813122.db2.gz AUEVEZJDWNQXCC-UHFFFAOYSA-N 0 3 334.416 2.598 20 10 EFCDHN CS(=O)(=O)c1ccccc1CC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000926905599 1107720994 /nfs/dbraw/zinc/72/09/94/1107720994.db2.gz MOGNTWOOUVGGQH-HNNXBMFYSA-N 0 3 331.437 2.615 20 10 EFCDHN CC(C)n1ccnc1CNC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898447440 1108949309 /nfs/dbraw/zinc/94/93/09/1108949309.db2.gz KFBBCOWERKTNAI-GOSISDBHSA-N 0 3 329.492 2.923 20 10 EFCDHN CC1=CCCN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC000899104190 1109202800 /nfs/dbraw/zinc/20/28/00/1109202800.db2.gz QNULCFWFTYVZKS-GOSISDBHSA-N 0 3 330.476 2.717 20 10 EFCDHN C[C@@H]1CC[C@@H](C)N1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899100580 1109208181 /nfs/dbraw/zinc/20/81/81/1109208181.db2.gz ASNNUWVVCHEURZ-IIDMSEBBSA-N 0 3 332.492 2.938 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=O)N(C)C2CCCC2)N(C)C)cc1 ZINC000899101046 1109208552 /nfs/dbraw/zinc/20/85/52/1109208552.db2.gz HHCNGYPBEMRRCK-GOSISDBHSA-N 0 3 332.492 2.939 20 10 EFCDHN CN1C[C@H](c2ccccc2)[C@@]2(CC[N@H+](Cc3ccccc3[O-])C2)C1=O ZINC001272618647 1111753090 /nfs/dbraw/zinc/75/30/90/1111753090.db2.gz LEIGCXMCSMTKLM-NQIIRXRSSA-N 0 3 336.435 2.840 20 10 EFCDHN CN1C[C@H](c2ccccc2)[C@@]2(CC[N@@H+](Cc3ccccc3[O-])C2)C1=O ZINC001272618647 1111753093 /nfs/dbraw/zinc/75/30/93/1111753093.db2.gz LEIGCXMCSMTKLM-NQIIRXRSSA-N 0 3 336.435 2.840 20 10 EFCDHN CCCCN1CC[C@@]2(CCCN2Cc2cccc(OC)c2O)C1=O ZINC001272624752 1111763464 /nfs/dbraw/zinc/76/34/64/1111763464.db2.gz BORKILHSRIRJRR-IBGZPJMESA-N 0 3 332.444 2.768 20 10 EFCDHN CCCCN1CC[C@]2(CCCN2Cc2cccc(OC)c2O)C1=O ZINC001272624753 1111764676 /nfs/dbraw/zinc/76/46/76/1111764676.db2.gz BORKILHSRIRJRR-LJQANCHMSA-N 0 3 332.444 2.768 20 10 EFCDHN COc1ccc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3C2CCCC2)c([O-])c1 ZINC001272625501 1111765090 /nfs/dbraw/zinc/76/50/90/1111765090.db2.gz LEFZGWJRPXWNJJ-QZTJIDSGSA-N 0 3 344.455 2.909 20 10 EFCDHN COc1ccc(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3C2CCCC2)c([O-])c1 ZINC001272625501 1111765094 /nfs/dbraw/zinc/76/50/94/1111765094.db2.gz LEFZGWJRPXWNJJ-QZTJIDSGSA-N 0 3 344.455 2.909 20 10 EFCDHN COc1cccc(CN2CCC[C@]23CCN(CC(C)C)C3=O)c1O ZINC001272625101 1111765925 /nfs/dbraw/zinc/76/59/25/1111765925.db2.gz HWFYFDSDDSYMSO-LJQANCHMSA-N 0 3 332.444 2.624 20 10 EFCDHN COc1cccc(CN2CCC[C@]23CCN(C2CCCC2)C3=O)c1O ZINC001272625221 1111765951 /nfs/dbraw/zinc/76/59/51/1111765951.db2.gz ISHBBGOGLFQAJV-HXUWFJFHSA-N 0 3 344.455 2.910 20 10 EFCDHN CCCCN1CC[C@]2(CC[N@H+](Cc3ccc(OC)cc3[O-])C2)C1=O ZINC001272625243 1111765996 /nfs/dbraw/zinc/76/59/96/1111765996.db2.gz JBZBHBCBNHEILJ-IBGZPJMESA-N 0 3 332.444 2.625 20 10 EFCDHN CCCCN1CC[C@]2(CC[N@@H+](Cc3ccc(OC)cc3[O-])C2)C1=O ZINC001272625243 1111766003 /nfs/dbraw/zinc/76/60/03/1111766003.db2.gz JBZBHBCBNHEILJ-IBGZPJMESA-N 0 3 332.444 2.625 20 10 EFCDHN CC[C@H](C)N1CC[C@]2(CCC[N@@H+]2Cc2ccc(OC)cc2[O-])C1=O ZINC001272625882 1111767178 /nfs/dbraw/zinc/76/71/78/1111767178.db2.gz PLZWIMCGDPPCMY-IFXJQAMLSA-N 0 3 332.444 2.766 20 10 EFCDHN CC[C@H](C)N1CC[C@]2(CCC[N@H+]2Cc2ccc(OC)cc2[O-])C1=O ZINC001272625882 1111767181 /nfs/dbraw/zinc/76/71/81/1111767181.db2.gz PLZWIMCGDPPCMY-IFXJQAMLSA-N 0 3 332.444 2.766 20 10 EFCDHN CC[C@H](C)N1CC[C@]2(CCCN2Cc2ccc(OC)cc2O)C1=O ZINC001272625882 1111767186 /nfs/dbraw/zinc/76/71/86/1111767186.db2.gz PLZWIMCGDPPCMY-IFXJQAMLSA-N 0 3 332.444 2.766 20 10 EFCDHN COc1ccc(O)c(CN2CCC[C@@]23CCN(CC(C)C)C3=O)c1 ZINC001272639284 1111798898 /nfs/dbraw/zinc/79/88/98/1111798898.db2.gz YEDKNKWBNXOKGF-IBGZPJMESA-N 0 3 332.444 2.624 20 10 EFCDHN C[C@@H]([NH2+]CCOc1ccc(S(C)(=O)=O)cc1)c1ccccc1[O-] ZINC000154208905 1111991594 /nfs/dbraw/zinc/99/15/94/1111991594.db2.gz DGJCFUKWNPCMBO-CYBMUJFWSA-N 0 3 335.425 2.525 20 10 EFCDHN CCCN(Cc1c([O-])cccc1Br)C[C@H]1CC[NH2+]C1 ZINC001236836942 1118160829 /nfs/dbraw/zinc/16/08/29/1118160829.db2.gz ZKVPTGRIHIAITR-LBPRGKRZSA-N 0 3 327.266 2.976 20 10 EFCDHN C[C@H]([NH2+]Cc1cccc(OCC(=O)N(C)C)c1)c1cc(F)ccc1[O-] ZINC000185063939 1119706324 /nfs/dbraw/zinc/70/63/24/1119706324.db2.gz UGNIRZVZVBMVEU-ZDUSSCGKSA-N 0 3 346.402 2.849 20 10 EFCDHN Cc1ccc(O)c(CN2CCN(c3nccc(C(C)C)n3)CC2)c1 ZINC000185656052 1120404545 /nfs/dbraw/zinc/40/45/45/1120404545.db2.gz AKQBFIAUPHPGAV-UHFFFAOYSA-N 0 3 326.444 2.936 20 10 EFCDHN Cc1cccc(CN2CCN(c3nccc(C(C)C)n3)CC2)c1O ZINC000185656676 1120404927 /nfs/dbraw/zinc/40/49/27/1120404927.db2.gz BDQXEOVDBNOKOR-UHFFFAOYSA-N 0 3 326.444 2.936 20 10 EFCDHN C[C@H](NC1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(F)c(F)c1[O-] ZINC000187726595 299272809 /nfs/dbraw/zinc/27/28/09/299272809.db2.gz JFCASLRJTNCXJC-QWHCGFSZSA-N 0 3 340.414 2.822 20 10 EFCDHN Cc1nccn1CCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000163103041 239102320 /nfs/dbraw/zinc/10/23/20/239102320.db2.gz OAAGBFOXEXUPTO-SFHVURJKSA-N 0 3 329.444 2.968 20 10 EFCDHN Cc1nccn1CCC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000163103041 239102327 /nfs/dbraw/zinc/10/23/27/239102327.db2.gz OAAGBFOXEXUPTO-SFHVURJKSA-N 0 3 329.444 2.968 20 10 EFCDHN C[C@H](C(=O)NCc1ccc(N(C)C)c(F)c1)[C@H](N)c1ccccc1 ZINC000166459065 239123119 /nfs/dbraw/zinc/12/31/19/239123119.db2.gz JVKNQUJAJGAHLO-UGSOOPFHSA-N 0 3 329.419 2.844 20 10 EFCDHN Cc1ccc(NC(=O)Cc2ccc(N)cc2)c(OCCN(C)C)c1 ZINC000169087479 239127120 /nfs/dbraw/zinc/12/71/20/239127120.db2.gz WMZNIKUFPSIWIT-UHFFFAOYSA-N 0 3 327.428 2.699 20 10 EFCDHN O=C1O[C@H](C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)CC12CCC2 ZINC000192102191 240025728 /nfs/dbraw/zinc/02/57/28/240025728.db2.gz XBYVMPLJTNNFJX-SJORKVTESA-N 0 3 345.439 2.859 20 10 EFCDHN O=C1O[C@H](C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)CC12CCC2 ZINC000192102191 240025736 /nfs/dbraw/zinc/02/57/36/240025736.db2.gz XBYVMPLJTNNFJX-SJORKVTESA-N 0 3 345.439 2.859 20 10 EFCDHN Cc1ccccc1CN1CCC(NC(=O)Cc2ccc(N)cc2)CC1 ZINC000237727964 240246988 /nfs/dbraw/zinc/24/69/88/240246988.db2.gz MNSYOIWVEQUBIZ-UHFFFAOYSA-N 0 3 337.467 2.901 20 10 EFCDHN CN(C)c1ccc2c(c1)OCCN2C(=O)C[C@@H](N)c1ccccc1 ZINC000237150903 240237965 /nfs/dbraw/zinc/23/79/65/240237965.db2.gz LBHHWDOWSIVCFZ-MRXNPFEDSA-N 0 3 325.412 2.568 20 10 EFCDHN CN(C(=O)Cc1ccc(N)cc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000237269706 240240408 /nfs/dbraw/zinc/24/04/08/240240408.db2.gz PUWDWEFIDDTLJZ-HXUWFJFHSA-N 0 3 337.467 2.934 20 10 EFCDHN COc1cccc(CNCc2ccccc2N2CCOCC2)c1O ZINC000237388838 240243782 /nfs/dbraw/zinc/24/37/82/240243782.db2.gz PKJLPFVKBGNTQZ-UHFFFAOYSA-N 0 3 328.412 2.527 20 10 EFCDHN [O-]c1ccc(Br)cc1CN1CCC[N@@H+]2CCC[C@H]2C1 ZINC000250855932 240305104 /nfs/dbraw/zinc/30/51/04/240305104.db2.gz GNXOFHLCWMVSHM-AWEZNQCLSA-N 0 3 325.250 2.825 20 10 EFCDHN [O-]c1ccc(Br)cc1CN1CCC[N@H+]2CCC[C@H]2C1 ZINC000250855932 240305111 /nfs/dbraw/zinc/30/51/11/240305111.db2.gz GNXOFHLCWMVSHM-AWEZNQCLSA-N 0 3 325.250 2.825 20 10 EFCDHN CN(Cc1cc2c(cc1O)OCO2)C[C@@H]1OCCc2ccccc21 ZINC000263853704 240392754 /nfs/dbraw/zinc/39/27/54/240392754.db2.gz ZIQQNMMAKVXZJJ-IBGZPJMESA-N 0 3 327.380 2.867 20 10 EFCDHN Cc1ccc([C@@H](C)N[C@H]2CCN(CC(F)(F)F)C2=O)c(O)c1C ZINC000273467673 240703244 /nfs/dbraw/zinc/70/32/44/240703244.db2.gz JAQSYWRVXOIUJG-YPMHNXCESA-N 0 3 330.350 2.823 20 10 EFCDHN CCOCc1cc(CNCC2([S@@](C)=O)CCC2)ccc1OC ZINC000280561824 240876510 /nfs/dbraw/zinc/87/65/10/240876510.db2.gz FWWHXRCAOQSCIB-JOCHJYFZSA-N 0 3 325.474 2.623 20 10 EFCDHN CCOCc1cc(CN[C@H]2COc3ccccc3[C@@H]2O)ccc1OC ZINC000288455342 241010621 /nfs/dbraw/zinc/01/06/21/241010621.db2.gz DIYMRRPOPIQFOU-PXNSSMCTSA-N 0 3 343.423 2.816 20 10 EFCDHN O=C(NCC[NH2+][C@H]1CCc2cccc([O-])c21)c1c(F)cccc1F ZINC000296659158 241094533 /nfs/dbraw/zinc/09/45/33/241094533.db2.gz FBYHUZAWRDMOCO-AWEZNQCLSA-N 0 3 332.350 2.677 20 10 EFCDHN O=C1[C@H]([NH2+][C@@H]2CCc3cccc([O-])c32)CCN1c1ccccc1F ZINC000297082983 241110291 /nfs/dbraw/zinc/11/02/91/241110291.db2.gz WWBVPYGQISRGOT-HUUCEWRRSA-N 0 3 326.371 2.914 20 10 EFCDHN COc1ccc([O-])c([C@@H](C)[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c1 ZINC000294731144 241050563 /nfs/dbraw/zinc/05/05/63/241050563.db2.gz GHLDTLUIJMIPSM-QLFBSQMISA-N 0 3 340.423 2.743 20 10 EFCDHN COc1ccc([O-])c([C@@H](C)[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c1 ZINC000294731144 241050566 /nfs/dbraw/zinc/05/05/66/241050566.db2.gz GHLDTLUIJMIPSM-QLFBSQMISA-N 0 3 340.423 2.743 20 10 EFCDHN COC(=O)[C@@H]1CCO[C@H]1C1CCN(Cc2ccc(N(C)C)cc2)CC1 ZINC000298414725 241151613 /nfs/dbraw/zinc/15/16/13/241151613.db2.gz XGXGLISADDWLCJ-MOPGFXCFSA-N 0 3 346.471 2.543 20 10 EFCDHN O=C(NCc1ccccc1O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000299528318 241179010 /nfs/dbraw/zinc/17/90/10/241179010.db2.gz RQQOQFZALIBDFT-SFHVURJKSA-N 0 3 339.439 2.856 20 10 EFCDHN C[C@H]([NH2+]Cc1ccccc1[O-])[C@H]1CN(Cc2ccccc2)CCO1 ZINC000363256841 242274629 /nfs/dbraw/zinc/27/46/29/242274629.db2.gz PSVNTLCHWOQPQO-OXJNMPFZSA-N 0 3 326.440 2.771 20 10 EFCDHN C[C@H]([NH2+]Cc1ccccc1[O-])[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000363256840 242274845 /nfs/dbraw/zinc/27/48/45/242274845.db2.gz PSVNTLCHWOQPQO-JXFKEZNVSA-N 0 3 326.440 2.771 20 10 EFCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@H](Cc3cnn(C)c3)C2)c1[O-] ZINC000363912900 242286311 /nfs/dbraw/zinc/28/63/11/242286311.db2.gz ZJMOWDJEAOWVHU-GFCCVEGCSA-N 0 3 335.835 2.852 20 10 EFCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@H](Cc3cnn(C)c3)C2)c1[O-] ZINC000363912900 242286315 /nfs/dbraw/zinc/28/63/15/242286315.db2.gz ZJMOWDJEAOWVHU-GFCCVEGCSA-N 0 3 335.835 2.852 20 10 EFCDHN O[C@H]1CCC[C@H]1N1CCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000367460676 242383538 /nfs/dbraw/zinc/38/35/38/242383538.db2.gz GYXQNVWRQLGCKB-RTWAWAEBSA-N 0 3 343.515 2.708 20 10 EFCDHN c1ncn(CCNCc2ccc3c(c2)CCN3Cc2ccccc2)n1 ZINC000367539838 242384177 /nfs/dbraw/zinc/38/41/77/242384177.db2.gz FASOTNDCMGTNTE-UHFFFAOYSA-N 0 3 333.439 2.631 20 10 EFCDHN CC[C@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)c1ccc(F)cc1[O-] ZINC000367616619 242386482 /nfs/dbraw/zinc/38/64/82/242386482.db2.gz LQSUHNKRYSRYSJ-YJBOKZPZSA-N 0 3 335.467 2.741 20 10 EFCDHN CCN1CCN(C[C@H](C)C[NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])CC1 ZINC000187698984 285323378 /nfs/dbraw/zinc/32/33/78/285323378.db2.gz HZTRRDNPBHLCNL-KGLIPLIRSA-N 0 3 341.446 2.595 20 10 EFCDHN CSCC[C@H](N)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000167863515 533645648 /nfs/dbraw/zinc/64/56/48/533645648.db2.gz VMWICEHQISAORC-KRWDZBQOSA-N 0 3 335.517 2.620 20 10 EFCDHN CCN(CC)c1ccc(CNC(=O)N[C@H](C)C2=CCN(C)CC2)cc1 ZINC000272768748 276341414 /nfs/dbraw/zinc/34/14/14/276341414.db2.gz PUMHBYBWKANGPD-MRXNPFEDSA-N 0 3 344.503 2.982 20 10 EFCDHN CCS(=O)(=O)c1ccc(C[NH2+][C@H]2CCc3cccc([O-])c32)cc1 ZINC000297011943 276393242 /nfs/dbraw/zinc/39/32/42/276393242.db2.gz UACJDDFQZXMMDR-INIZCTEOSA-N 0 3 331.437 2.963 20 10 EFCDHN C[C@H](C[NH2+][C@@H](C)c1cc2c(cc1[O-])CCCC2)CN1CCN(C)CC1 ZINC000185344228 289689766 /nfs/dbraw/zinc/68/97/66/289689766.db2.gz DJXJXAFNGUUZPE-SJORKVTESA-N 0 3 345.531 2.805 20 10 EFCDHN CCCOc1ccc(C[NH2+][C@@H](C)C(=O)NCc2ccco2)c([O-])c1 ZINC000111399471 473211119 /nfs/dbraw/zinc/21/11/19/473211119.db2.gz CENSXWDVIJBYPT-ZDUSSCGKSA-N 0 3 332.400 2.569 20 10 EFCDHN COc1ccc(OC)c([C@@H](O)C[NH2+][C@@H](C)c2cc(F)ccc2[O-])c1 ZINC000184947283 473281182 /nfs/dbraw/zinc/28/11/82/473281182.db2.gz CVPXRAHHKZZQOJ-GTNSWQLSSA-N 0 3 335.375 2.933 20 10 EFCDHN Cc1ccc(O)c([C@@H](C)NCc2ccccc2S(=O)(=O)N(C)C)c1 ZINC000184964608 473284919 /nfs/dbraw/zinc/28/49/19/473284919.db2.gz MOVQUOYVIJTLCL-CQSZACIVSA-N 0 3 348.468 2.802 20 10 EFCDHN O=C1[C@H]([NH2+]Cc2ccccc2[O-])CCCN1Cc1ccc(F)cc1F ZINC000190475431 473286641 /nfs/dbraw/zinc/28/66/41/473286641.db2.gz MRDARQFPVMFHRF-QGZVFWFLSA-N 0 3 346.377 2.951 20 10 EFCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCNC(=O)c2ccc(C)c(F)c2)c1 ZINC000184981796 473290731 /nfs/dbraw/zinc/29/07/31/473290731.db2.gz GCUCDKJIMYIMAW-CYBMUJFWSA-N 0 3 346.402 2.929 20 10 EFCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](O)CN2CCc3ccccc3C2)c1 ZINC000184991941 473294744 /nfs/dbraw/zinc/29/47/44/473294744.db2.gz SWIBOQUYTRMZNW-VQIMIIECSA-N 0 3 340.467 2.770 20 10 EFCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]Cc2ccc(S(=O)(=O)N(C)C)cc2)c1 ZINC000185110539 473332060 /nfs/dbraw/zinc/33/20/60/473332060.db2.gz FTWFZOGDJUMUFA-CQSZACIVSA-N 0 3 348.468 2.802 20 10 EFCDHN Cc1ccc(O)c([C@@H](C)NCc2ccc(S(=O)(=O)N(C)C)cc2)c1 ZINC000185110539 473332067 /nfs/dbraw/zinc/33/20/67/473332067.db2.gz FTWFZOGDJUMUFA-CQSZACIVSA-N 0 3 348.468 2.802 20 10 EFCDHN Cc1ccc([C@H](C)[NH2+]C[C@]2(N3CCOCC3)CCSC2)c([O-])c1 ZINC000185141085 473341194 /nfs/dbraw/zinc/34/11/94/473341194.db2.gz DCYREARORHVXGU-MAUKXSAKSA-N 0 3 336.501 2.559 20 10 EFCDHN CN(CCN(C)C1CC1)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000185169869 473351491 /nfs/dbraw/zinc/35/14/91/473351491.db2.gz SAUKLGCDLOMCEK-UHFFFAOYSA-N 0 3 330.476 2.522 20 10 EFCDHN CN(Cc1ccc2c(c1)OCCO2)Cc1cc2c(cc1O)OCO2 ZINC000008718489 471701385 /nfs/dbraw/zinc/70/13/85/471701385.db2.gz OIBPARHVNARCCP-UHFFFAOYSA-N 0 3 329.352 2.524 20 10 EFCDHN COc1ccc(N2CCN(CC[C@H](O)c3ccccc3)CC2)cc1 ZINC000013861715 471845203 /nfs/dbraw/zinc/84/52/03/471845203.db2.gz XJDBPHRIKPQDFL-FQEVSTJZSA-N 0 3 326.440 2.941 20 10 EFCDHN CCC[N@H+](Cc1ccccc1[O-])[C@H]1CCCN(c2cnn(C)c2)C1=O ZINC000076074154 472262121 /nfs/dbraw/zinc/26/21/21/472262121.db2.gz KGQWHNJAXABYID-KRWDZBQOSA-N 0 3 342.443 2.533 20 10 EFCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@H]1CCCN(c2cnn(C)c2)C1=O ZINC000076074154 472262126 /nfs/dbraw/zinc/26/21/26/472262126.db2.gz KGQWHNJAXABYID-KRWDZBQOSA-N 0 3 342.443 2.533 20 10 EFCDHN CC[C@H](N[C@H]1CCN(CC(F)(F)F)C1=O)c1ccc(N(C)C)cc1 ZINC000089619065 472470648 /nfs/dbraw/zinc/47/06/48/472470648.db2.gz CAEADYMUJYJSGV-GJZGRUSLSA-N 0 3 343.393 2.957 20 10 EFCDHN CCN(CC)c1ccc(CN2CCN(C3CCOCC3)CC2)cc1F ZINC000129752444 472562900 /nfs/dbraw/zinc/56/29/00/472562900.db2.gz PYAUWNMTLSQVGI-UHFFFAOYSA-N 0 3 349.494 2.969 20 10 EFCDHN CCO[C@H]1C[C@@H](O)C12CCN(Cc1ccc(N(C)C)c(F)c1)CC2 ZINC000130232370 472592298 /nfs/dbraw/zinc/59/22/98/472592298.db2.gz SFKYQHQHPNJOHU-MSOLQXFVSA-N 0 3 336.451 2.644 20 10 EFCDHN COc1ccc(CNC(=O)C[NH2+][C@H](C)c2cc(F)ccc2[O-])cc1 ZINC000120027845 472618450 /nfs/dbraw/zinc/61/84/50/472618450.db2.gz AQOQZZWVUNHDDE-GFCCVEGCSA-N 0 3 332.375 2.507 20 10 EFCDHN CCCN(Cc1ccccc1O)C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000130716620 472623076 /nfs/dbraw/zinc/62/30/76/472623076.db2.gz HHBTYRNMNCCZNF-GOEBONIOSA-N 0 3 331.460 2.939 20 10 EFCDHN C[C@H](NCCNC(=O)c1ccccc1F)c1ccc(N(C)C)cc1 ZINC000130904126 472635224 /nfs/dbraw/zinc/63/52/24/472635224.db2.gz JJXKAIFBQKXKGP-AWEZNQCLSA-N 0 3 329.419 2.972 20 10 EFCDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000120669377 472728534 /nfs/dbraw/zinc/72/85/34/472728534.db2.gz PULXXVFDERQMIE-LPHOPBHVSA-N 0 3 342.487 2.544 20 10 EFCDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000105269198 472738480 /nfs/dbraw/zinc/73/84/80/472738480.db2.gz RULNBBKQQROLTM-OAHLLOKOSA-N 0 3 332.492 2.767 20 10 EFCDHN C[C@](O)(C[NH2+]Cc1cc2c(cc1[O-])OCO2)c1ccccc1Cl ZINC000156670431 472738948 /nfs/dbraw/zinc/73/89/48/472738948.db2.gz RLCRAGXUSKFHSB-KRWDZBQOSA-N 0 3 335.787 2.772 20 10 EFCDHN COC(=O)[C@H](C)Oc1ccc(C[N@H+](C)Cc2ccccc2[O-])cc1 ZINC000091974653 472835308 /nfs/dbraw/zinc/83/53/08/472835308.db2.gz VXPNDLZVNJERIK-AWEZNQCLSA-N 0 3 329.396 2.965 20 10 EFCDHN COC(=O)[C@H](C)Oc1ccc(C[N@@H+](C)Cc2ccccc2[O-])cc1 ZINC000091974653 472835311 /nfs/dbraw/zinc/83/53/11/472835311.db2.gz VXPNDLZVNJERIK-AWEZNQCLSA-N 0 3 329.396 2.965 20 10 EFCDHN CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@@H]1CCC[NH2+]C1 ZINC000121499882 472861172 /nfs/dbraw/zinc/86/11/72/472861172.db2.gz PTEVJURLYKCDKM-LLVKDONJSA-N 0 3 341.249 2.503 20 10 EFCDHN CCN1CCC[C@@H]1CNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000073721964 472861540 /nfs/dbraw/zinc/86/15/40/472861540.db2.gz AXLWWYCQLYJMMO-GOSISDBHSA-N 0 3 330.476 2.570 20 10 EFCDHN CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@H]1CCC[NH2+]C1 ZINC000121500027 472862089 /nfs/dbraw/zinc/86/20/89/472862089.db2.gz PTEVJURLYKCDKM-NSHDSACASA-N 0 3 341.249 2.503 20 10 EFCDHN COc1cccc(CN2CCC(NC(=O)c3ccsc3)CC2)c1O ZINC000092485026 472921730 /nfs/dbraw/zinc/92/17/30/472921730.db2.gz MKDMPKVFHPCSMH-UHFFFAOYSA-N 0 3 346.452 2.857 20 10 EFCDHN CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2cc(OCC)ccc2[O-])C1 ZINC000092710469 472971369 /nfs/dbraw/zinc/97/13/69/472971369.db2.gz JFPMEAHNDBVULY-OAHLLOKOSA-N 0 3 334.460 2.919 20 10 EFCDHN CCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2cc(OCC)ccc2[O-])C1 ZINC000092710469 472971375 /nfs/dbraw/zinc/97/13/75/472971375.db2.gz JFPMEAHNDBVULY-OAHLLOKOSA-N 0 3 334.460 2.919 20 10 EFCDHN COc1cccc([C@@H](C[NH2+]Cc2cccc(OC)c2[O-])N(C)C)c1 ZINC000074314405 472984054 /nfs/dbraw/zinc/98/40/54/472984054.db2.gz ZOMMVXSNTIWHFT-QGZVFWFLSA-N 0 3 330.428 2.802 20 10 EFCDHN COc1cccc(CNCc2ccc(N3CCCC3=O)cc2)c1O ZINC000074335654 472991790 /nfs/dbraw/zinc/99/17/90/472991790.db2.gz ALMQIPSFIBKLDI-UHFFFAOYSA-N 0 3 326.396 2.817 20 10 EFCDHN COc1cccc(C[NH2+]Cc2ccc(N3CCCC3=O)cc2)c1[O-] ZINC000074335654 472991798 /nfs/dbraw/zinc/99/17/98/472991798.db2.gz ALMQIPSFIBKLDI-UHFFFAOYSA-N 0 3 326.396 2.817 20 10 EFCDHN CCOc1cccc(CN(C)[C@H](CO)c2ccc(OC)cc2)c1O ZINC000093415493 473104584 /nfs/dbraw/zinc/10/45/84/473104584.db2.gz HWPHOEZUNVPAIZ-QGZVFWFLSA-N 0 3 331.412 2.965 20 10 EFCDHN NC(=O)c1cccc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC000109761730 473120855 /nfs/dbraw/zinc/12/08/55/473120855.db2.gz XDOLOKYVBHNHJD-SFHVURJKSA-N 0 3 340.423 2.672 20 10 EFCDHN CCCOc1ccc(C[NH+]2CCC3(CC2)[C@H](O)C[C@@H]3OCC)c([O-])c1 ZINC000093614093 473126193 /nfs/dbraw/zinc/12/61/93/473126193.db2.gz GWFMTDQIGWKVBV-MOPGFXCFSA-N 0 3 349.471 2.933 20 10 EFCDHN CCOc1ccc([O-])c(C[NH+]2CCC3(CC2)[C@H](O)C[C@H]3OCC)c1 ZINC000093614227 473126519 /nfs/dbraw/zinc/12/65/19/473126519.db2.gz YQQPMBRZKFPDRA-QZTJIDSGSA-N 0 3 335.444 2.543 20 10 EFCDHN C[C@@H](C[NH2+][C@@H](C)c1cc2c(cc1[O-])CCCC2)N1CCN(C)CC1 ZINC000185365580 473406783 /nfs/dbraw/zinc/40/67/83/473406783.db2.gz ZRRYAPXZALVFHK-HOTGVXAUSA-N 0 3 331.504 2.558 20 10 EFCDHN CCn1cc([C@@H](C)NCc2ccc(N3CCC(CO)CC3)cc2)cn1 ZINC000151580534 473474995 /nfs/dbraw/zinc/47/49/95/473474995.db2.gz XUCCXKDKSYZBPU-MRXNPFEDSA-N 0 3 342.487 2.963 20 10 EFCDHN C[C@@H](NCCNC(=O)C1CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000178211488 473475785 /nfs/dbraw/zinc/47/57/85/473475785.db2.gz NYWBWBOZWFAYNH-CQSZACIVSA-N 0 3 333.451 2.993 20 10 EFCDHN CCOc1cc(NC2CC[NH+](Cc3ccccc3[O-])CC2)ncn1 ZINC000185663443 473482112 /nfs/dbraw/zinc/48/21/12/473482112.db2.gz JIRKHTUEWGRIMF-UHFFFAOYSA-N 0 3 328.416 2.657 20 10 EFCDHN COc1ccc(N2CCC(NCc3ccc(OC)nc3)CC2)cc1 ZINC000126410561 473514957 /nfs/dbraw/zinc/51/49/57/473514957.db2.gz XSCHKNQSECIQRU-UHFFFAOYSA-N 0 3 327.428 2.857 20 10 EFCDHN Cc1nn(C)cc1[C@@H](C)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000178665408 473542954 /nfs/dbraw/zinc/54/29/54/473542954.db2.gz AZVATVRXYWYJFD-LSDHHAIUSA-N 0 3 328.460 2.977 20 10 EFCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCCNC(=O)c2occc2C)c1 ZINC000186068235 473583575 /nfs/dbraw/zinc/58/35/75/473583575.db2.gz LUJDTUOIYGTWIC-CYBMUJFWSA-N 0 3 332.400 2.773 20 10 EFCDHN C[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1cc(F)ccc1[O-] ZINC000186127685 473596340 /nfs/dbraw/zinc/59/63/40/473596340.db2.gz CFPSLZNNVZSFOR-IRWQIABSSA-N 0 3 336.451 2.950 20 10 EFCDHN Cc1c(/C=C/C(=O)N2C[C@@H]3CCCN3Cc3ccccc32)cnn1C ZINC000179073408 473623205 /nfs/dbraw/zinc/62/32/05/473623205.db2.gz OPBFTHVKEHZARP-BBVFFXRHSA-N 0 3 336.439 2.753 20 10 EFCDHN O=C1O[C@H](C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)CC12CCC2 ZINC000192102187 473627043 /nfs/dbraw/zinc/62/70/43/473627043.db2.gz XBYVMPLJTNNFJX-IRXDYDNUSA-N 0 3 345.439 2.859 20 10 EFCDHN O=C1O[C@H](C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)CC12CCC2 ZINC000192102187 473627047 /nfs/dbraw/zinc/62/70/47/473627047.db2.gz XBYVMPLJTNNFJX-IRXDYDNUSA-N 0 3 345.439 2.859 20 10 EFCDHN COc1ccc(CN2CCN(Cc3ccccc3O)CC2)cc1F ZINC000179553812 473694010 /nfs/dbraw/zinc/69/40/10/473694010.db2.gz LTEYXAAHEWQWCT-UHFFFAOYSA-N 0 3 330.403 2.858 20 10 EFCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000179892386 473749418 /nfs/dbraw/zinc/74/94/18/473749418.db2.gz YENBGZQVEOFMMI-ZDUSSCGKSA-N 0 3 326.375 2.954 20 10 EFCDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000179892386 473749424 /nfs/dbraw/zinc/74/94/24/473749424.db2.gz YENBGZQVEOFMMI-ZDUSSCGKSA-N 0 3 326.375 2.954 20 10 EFCDHN COc1ccc2c(c1)[C@@H](NCc1cc3c(cc1O)OCO3)CCO2 ZINC000274239092 473768866 /nfs/dbraw/zinc/76/88/66/473768866.db2.gz GXZQLQACBFLQIH-AWEZNQCLSA-N 0 3 329.352 2.743 20 10 EFCDHN COc1ccc(O)c(CN(C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000180067873 473790189 /nfs/dbraw/zinc/79/01/89/473790189.db2.gz SQMMTACPROJMOF-AWEZNQCLSA-N 0 3 336.432 2.842 20 10 EFCDHN CC1CC[NH+](C[C@H]2CCCN(C(=O)c3cccc(O)c3[O-])C2)CC1 ZINC000187050867 473809323 /nfs/dbraw/zinc/80/93/23/473809323.db2.gz FFWZQUGRSFNWIE-OAHLLOKOSA-N 0 3 332.444 2.682 20 10 EFCDHN COCCN(C)CC[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-] ZINC000187143952 473824989 /nfs/dbraw/zinc/82/49/89/473824989.db2.gz MXCJTYYWRLCDKG-LBPRGKRZSA-N 0 3 345.281 2.692 20 10 EFCDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@]2(O)CCSC2)c1[O-] ZINC000187276123 473850776 /nfs/dbraw/zinc/85/07/76/473850776.db2.gz ZZEFTLVTCBILMN-HZMBPMFUSA-N 0 3 346.290 2.982 20 10 EFCDHN CCN(Cc1ccccc1)c1ccc(CN2C[C@@H](O)C[C@H]2CO)cc1 ZINC000187666186 473901281 /nfs/dbraw/zinc/90/12/81/473901281.db2.gz NVUHVCRYZHLXMF-SFTDATJTSA-N 0 3 340.467 2.641 20 10 EFCDHN CCN1CCN(C[C@@H](C)C[NH2+][C@H](C)c2ccc(F)c(F)c2[O-])CC1 ZINC000187699001 473905700 /nfs/dbraw/zinc/90/57/00/473905700.db2.gz HZTRRDNPBHLCNL-UONOGXRCSA-N 0 3 341.446 2.595 20 10 EFCDHN CCOC(=O)COc1ccc(CC[NH2+]Cc2cc(F)ccc2[O-])cc1 ZINC000180808763 473970373 /nfs/dbraw/zinc/97/03/73/473970373.db2.gz HGERHQQDPCUXRS-UHFFFAOYSA-N 0 3 347.386 2.806 20 10 EFCDHN CC(C)(C)Oc1ccc(CNCc2cc3c(cc2O)OCO3)cn1 ZINC000180888230 473982053 /nfs/dbraw/zinc/98/20/53/473982053.db2.gz QVSAWDBCMYQTLK-UHFFFAOYSA-N 0 3 330.384 2.983 20 10 EFCDHN CCCC[N@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)NC(=O)NC(C)C ZINC000282322019 474021105 /nfs/dbraw/zinc/02/11/05/474021105.db2.gz ADLOMKOHUDWPRA-AWEZNQCLSA-N 0 3 335.448 2.617 20 10 EFCDHN CCCC[N@@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)NC(=O)NC(C)C ZINC000282322019 474021113 /nfs/dbraw/zinc/02/11/13/474021113.db2.gz ADLOMKOHUDWPRA-AWEZNQCLSA-N 0 3 335.448 2.617 20 10 EFCDHN CCCOc1ccc(C[NH2+][C@@H]2COc3ccccc3[C@H]2O)c([O-])c1 ZINC000288715585 474029715 /nfs/dbraw/zinc/02/97/15/474029715.db2.gz ZOBVHSYMGZPSTL-VQIMIIECSA-N 0 3 329.396 2.765 20 10 EFCDHN CCCCN(CC(=O)Nc1cc(C)nn1C)Cc1ccccc1O ZINC000282431188 474063747 /nfs/dbraw/zinc/06/37/47/474063747.db2.gz KDCXNOJYADKFNZ-UHFFFAOYSA-N 0 3 330.432 2.675 20 10 EFCDHN COc1cc(O)c(CN[C@H](C[S@@](C)=O)c2ccccc2)cc1OC ZINC000182095565 474099212 /nfs/dbraw/zinc/09/92/12/474099212.db2.gz CMHQEHMYYZOFAT-OYLFLEFRSA-N 0 3 349.452 2.619 20 10 EFCDHN COc1ccc(O)c([C@@H](C)N[C@@H]2CCN(c3ccccc3F)C2=O)c1 ZINC000182412954 474170253 /nfs/dbraw/zinc/17/02/53/474170253.db2.gz PUSYPUWEXZZRHD-MLGOLLRUSA-N 0 3 344.386 2.996 20 10 EFCDHN COc1cccc(C[NH2+][C@@H](CO)Cc2c[nH]c3ccccc23)c1[O-] ZINC000265277602 474172292 /nfs/dbraw/zinc/17/22/92/474172292.db2.gz WEXPSDRPIHGLRR-OAHLLOKOSA-N 0 3 326.396 2.575 20 10 EFCDHN COc1ccc(O)c([C@H](C)N[C@@H]2CCCN(CC(F)(F)F)C2=O)c1 ZINC000182441159 474176676 /nfs/dbraw/zinc/17/66/76/474176676.db2.gz AOITUAFYWUDRQE-GXFFZTMASA-N 0 3 346.349 2.605 20 10 EFCDHN COc1ccc(O)c([C@@H](C)NCC(=O)N2CCc3sccc3C2)c1 ZINC000182457874 474182065 /nfs/dbraw/zinc/18/20/65/474182065.db2.gz MIMODAWIYGKLTD-GFCCVEGCSA-N 0 3 346.452 2.698 20 10 EFCDHN COC(=O)Nc1cccc(CNCc2cc(OC)c(OC)cc2O)c1 ZINC000289234648 474192521 /nfs/dbraw/zinc/19/25/21/474192521.db2.gz DGBUVOJXLPINLC-UHFFFAOYSA-N 0 3 346.383 2.878 20 10 EFCDHN CN(C)c1ccc(CN(C(=O)NCC2(N(C)C)CCC2)C2CC2)cc1 ZINC000275632049 474258953 /nfs/dbraw/zinc/25/89/53/474258953.db2.gz MRVHYJMXPYEZCT-UHFFFAOYSA-N 0 3 344.503 2.911 20 10 EFCDHN COc1cccc(C[NH2+]C2CCN(CCC(F)(F)F)CC2)c1[O-] ZINC000289415908 474260215 /nfs/dbraw/zinc/26/02/15/474260215.db2.gz ILVSNDYQWWDURZ-UHFFFAOYSA-N 0 3 332.366 2.907 20 10 EFCDHN O=C(Nc1ccccc1)N1CC[C@@H]([NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000283015970 474273743 /nfs/dbraw/zinc/27/37/43/474273743.db2.gz LWFMBSWZJHTWJM-MRXNPFEDSA-N 0 3 329.375 2.927 20 10 EFCDHN CN(C)c1ccc(CN[C@H]2CCCO[C@@H]2c2cnn(C)c2)cc1F ZINC000275718914 474293234 /nfs/dbraw/zinc/29/32/34/474293234.db2.gz YVXCSGXDAUQXOU-FUHWJXTLSA-N 0 3 332.423 2.635 20 10 EFCDHN CCOc1cccc(CN2CC[C@H](C(F)(F)F)[C@H](CO)C2)c1O ZINC000289521197 474306177 /nfs/dbraw/zinc/30/61/77/474306177.db2.gz HDWLUYNPQPTXMQ-STQMWFEESA-N 0 3 333.350 2.784 20 10 EFCDHN COC(=O)c1ccc(CN(C)Cc2cc(OC)c(OC)cc2O)cc1 ZINC000270908248 474316834 /nfs/dbraw/zinc/31/68/34/474316834.db2.gz SFEFQGGTBLKIOR-UHFFFAOYSA-N 0 3 345.395 2.828 20 10 EFCDHN CCOc1ccc(O)c(CN2CC[C@@](C(=O)OC)(C(F)(F)F)C2)c1 ZINC000289597031 474338616 /nfs/dbraw/zinc/33/86/16/474338616.db2.gz KSAUHWBEXBTPCW-OAHLLOKOSA-N 0 3 347.333 2.718 20 10 EFCDHN COc1cc([N+](=O)[O-])c(N2CCN(C3CCCC3)CC2)cc1OC ZINC000270976096 474348227 /nfs/dbraw/zinc/34/82/27/474348227.db2.gz BNQFADYZYUNBGY-UHFFFAOYSA-N 0 3 335.404 2.677 20 10 EFCDHN CC(C)[C@H](C(=O)N[C@H](C)Cc1ccc(O)c(O)c1)N1CCCCC1 ZINC000183448506 474380430 /nfs/dbraw/zinc/38/04/30/474380430.db2.gz CPQDZGASXLLJQT-RDTXWAMCSA-N 0 3 334.460 2.656 20 10 EFCDHN CCN(CC)c1ccc(CN[C@H]2CCC[C@@H](S(C)(=O)=O)C2)cc1 ZINC000265903773 474380388 /nfs/dbraw/zinc/38/03/88/474380388.db2.gz VWAZTYJKSQDNKW-FUHWJXTLSA-N 0 3 338.517 2.978 20 10 EFCDHN CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000183443468 474380959 /nfs/dbraw/zinc/38/09/59/474380959.db2.gz JEYURGYOVDPORE-CHWSQXEVSA-N 0 3 334.441 2.712 20 10 EFCDHN CN(C)c1ccc(CN2CCC[C@@H](C(=O)NCC3CC3)C2)cc1F ZINC000271070900 474395639 /nfs/dbraw/zinc/39/56/39/474395639.db2.gz LTRKAOUDYLYEML-MRXNPFEDSA-N 0 3 333.451 2.630 20 10 EFCDHN CCOCc1cc(CN[C@H](CO)Cc2ccccc2)ccc1OC ZINC000189517231 474427703 /nfs/dbraw/zinc/42/77/03/474427703.db2.gz GPFNXGCEHVJMAT-IBGZPJMESA-N 0 3 329.440 2.925 20 10 EFCDHN CNC(=O)CC[C@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(OC)c1[O-] ZINC000289854940 474457679 /nfs/dbraw/zinc/45/76/79/474457679.db2.gz VDKZMFQDUJTFRK-CQSZACIVSA-N 0 3 340.851 2.935 20 10 EFCDHN CNC(=O)CC[C@H]1CCCC[N@H+]1Cc1cc(Cl)cc(OC)c1[O-] ZINC000289854940 474457688 /nfs/dbraw/zinc/45/76/88/474457688.db2.gz VDKZMFQDUJTFRK-CQSZACIVSA-N 0 3 340.851 2.935 20 10 EFCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCOCC(F)(F)C(F)F)c1 ZINC000189844246 474493569 /nfs/dbraw/zinc/49/35/69/474493569.db2.gz OROZAZDNSFGHJK-SECBINFHSA-N 0 3 325.302 2.968 20 10 EFCDHN Nc1ccc(CC(=O)NC[C@@H]2CCCCN2Cc2ccccc2)cc1 ZINC000237903196 474499388 /nfs/dbraw/zinc/49/93/88/474499388.db2.gz AANFNOGGOFRYRO-FQEVSTJZSA-N 0 3 337.467 2.982 20 10 EFCDHN CCN(CC)c1ccc(CNC[C@@H]2CCCS(=O)(=O)C2)cc1F ZINC000289959317 474503673 /nfs/dbraw/zinc/50/36/73/474503673.db2.gz CIAAEAOEDOBQQY-HNNXBMFYSA-N 0 3 342.480 2.586 20 10 EFCDHN CCN1CCN(c2ccc(CN[C@H](C)c3cn[nH]c3)cc2F)CC1 ZINC000283934164 474530228 /nfs/dbraw/zinc/53/02/28/474530228.db2.gz FERYOHNIJCMGJX-CQSZACIVSA-N 0 3 331.439 2.542 20 10 EFCDHN O=S1(=O)CCC[C@@H](CNCc2ccc(N3CCCCC3)cc2)C1 ZINC000290043366 474537795 /nfs/dbraw/zinc/53/77/95/474537795.db2.gz FZIVYPWOPKCTDO-KRWDZBQOSA-N 0 3 336.501 2.591 20 10 EFCDHN COc1cc(N2CCN(CCCCCF)CC2)cc(OC)c1OC ZINC000284007450 474547987 /nfs/dbraw/zinc/54/79/87/474547987.db2.gz GZOVKSXRXWBHSD-UHFFFAOYSA-N 0 3 340.439 2.974 20 10 EFCDHN C[C@@H](N[C@@H](C)Cn1cccn1)c1ccc(N2CCOCC2)c(F)c1 ZINC000271460616 474557236 /nfs/dbraw/zinc/55/72/36/474557236.db2.gz JZKFPNLZKQYDMG-LSDHHAIUSA-N 0 3 332.423 2.598 20 10 EFCDHN COCCOCCN(C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000290169291 474560279 /nfs/dbraw/zinc/56/02/79/474560279.db2.gz MSRYDWJNMVUSPJ-UHFFFAOYSA-N 0 3 334.382 2.866 20 10 EFCDHN CC(C)S(=O)(=O)CCN[C@H](C)c1cc2c(cc1O)CCCC2 ZINC000290353198 474568070 /nfs/dbraw/zinc/56/80/70/474568070.db2.gz QFHSQOZGEPSTAP-CYBMUJFWSA-N 0 3 325.474 2.745 20 10 EFCDHN C[N@H+](Cc1cc(F)ccc1[O-])C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000190321927 474578656 /nfs/dbraw/zinc/57/86/56/474578656.db2.gz IXKGTZMOIMCTEM-HXUWFJFHSA-N 0 3 344.430 2.600 20 10 EFCDHN C[N@@H+](Cc1cc(F)ccc1[O-])C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000190321927 474578660 /nfs/dbraw/zinc/57/86/60/474578660.db2.gz IXKGTZMOIMCTEM-HXUWFJFHSA-N 0 3 344.430 2.600 20 10 EFCDHN COCCOC1CCN(Cc2cc(Cl)cc(OC)c2O)CC1 ZINC000184693014 474587816 /nfs/dbraw/zinc/58/78/16/474587816.db2.gz XCUQUGXTZYXXSM-UHFFFAOYSA-N 0 3 329.824 2.682 20 10 EFCDHN CCOCCO[C@H]1CCN(Cc2cc(Cl)cc(OC)c2O)C1 ZINC000184703435 474589234 /nfs/dbraw/zinc/58/92/34/474589234.db2.gz XTKVOAKFLIIMII-AWEZNQCLSA-N 0 3 329.824 2.682 20 10 EFCDHN C[C@@H]1[C@H](N2CCOCC2)CCN1Cc1ccc(N2CCCCC2)cc1 ZINC000291003876 474589640 /nfs/dbraw/zinc/58/96/40/474589640.db2.gz BFDOWEKKWFSXOT-WIYYLYMNSA-N 0 3 343.515 2.972 20 10 EFCDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)NCc1ccccc1O ZINC000271796373 474591589 /nfs/dbraw/zinc/59/15/89/474591589.db2.gz HLKVSZFMIFCUBT-OAHLLOKOSA-N 0 3 327.428 2.712 20 10 EFCDHN COc1ccc(O)c([C@H](C)N[C@@H]2CC(=O)N(c3ccccc3F)C2)c1 ZINC000291132297 474595109 /nfs/dbraw/zinc/59/51/09/474595109.db2.gz FALJGGUYBRQCNZ-QWHCGFSZSA-N 0 3 344.386 2.996 20 10 EFCDHN CCOc1ccc([O-])c(C[N@@H+]2CCC[C@@H](Cc3nccn3C)C2)c1 ZINC000184730808 474596685 /nfs/dbraw/zinc/59/66/85/474596685.db2.gz KOAIGJIPJFBSRR-HNNXBMFYSA-N 0 3 329.444 2.979 20 10 EFCDHN CCOc1ccc([O-])c(C[N@H+]2CCC[C@@H](Cc3nccn3C)C2)c1 ZINC000184730808 474596687 /nfs/dbraw/zinc/59/66/87/474596687.db2.gz KOAIGJIPJFBSRR-HNNXBMFYSA-N 0 3 329.444 2.979 20 10 EFCDHN COc1cc(Cl)cc(CN2CCC(CC(=O)N(C)C)CC2)c1O ZINC000184744416 474599495 /nfs/dbraw/zinc/59/94/95/474599495.db2.gz YDAFKXMGADTYBM-UHFFFAOYSA-N 0 3 340.851 2.745 20 10 EFCDHN C[C@H]([NH2+]CC1(O)CCN(C)CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000278152435 474602778 /nfs/dbraw/zinc/60/27/78/474602778.db2.gz AGQBSLMZPRPLQE-JTQLQIEISA-N 0 3 333.259 2.806 20 10 EFCDHN CCN(CC)c1ccc(CNC(=O)NCC2=CCN(C)CC2)cc1 ZINC000272133885 474603558 /nfs/dbraw/zinc/60/35/58/474603558.db2.gz WUBBQCDTRRTPRQ-UHFFFAOYSA-N 0 3 330.476 2.594 20 10 EFCDHN C[C@@H]([NH2+]C[C@H](O)CN1CCCC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000278244750 474604164 /nfs/dbraw/zinc/60/41/64/474604164.db2.gz LUNIBVPHMIQTDJ-MNOVXSKESA-N 0 3 333.259 2.806 20 10 EFCDHN C[C@@H](NC[C@H](O)C[NH+]1CCCC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000278244750 474604166 /nfs/dbraw/zinc/60/41/66/474604166.db2.gz LUNIBVPHMIQTDJ-MNOVXSKESA-N 0 3 333.259 2.806 20 10 EFCDHN C[C@H]1CN(CC2CC[NH+](Cc3cccc(F)c3[O-])CC2)C[C@H](C)O1 ZINC000272312907 474607590 /nfs/dbraw/zinc/60/75/90/474607590.db2.gz SALGQLYBCVUVOC-GJZGRUSLSA-N 0 3 336.451 2.853 20 10 EFCDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](C(C)C)N2CCN(C)CC2)c([O-])c1 ZINC000284279402 474609287 /nfs/dbraw/zinc/60/92/87/474609287.db2.gz XHNXNCSDKMMCCQ-ROUUACIJSA-N 0 3 333.520 2.932 20 10 EFCDHN C[N@@H+]1CC[C@@H]2CCN(Cc3cc(Br)ccc3[O-])[C@@H]2C1 ZINC000272551517 474616426 /nfs/dbraw/zinc/61/64/26/474616426.db2.gz DAAGQNIRDMXMCT-BXUZGUMPSA-N 0 3 325.250 2.681 20 10 EFCDHN C[N@H+]1CC[C@@H]2CCN(Cc3cc(Br)ccc3[O-])[C@@H]2C1 ZINC000272551517 474616429 /nfs/dbraw/zinc/61/64/29/474616429.db2.gz DAAGQNIRDMXMCT-BXUZGUMPSA-N 0 3 325.250 2.681 20 10 EFCDHN C[C@H]([NH2+]Cc1cccc(C(=O)N2CCOCC2)c1)c1ccccc1[O-] ZINC000272893807 474636427 /nfs/dbraw/zinc/63/64/27/474636427.db2.gz TVOLSHGFQZQWOV-HNNXBMFYSA-N 0 3 340.423 2.715 20 10 EFCDHN Cc1ccnc(OC2CCN(Cc3cc4c(cc3O)OCO4)CC2)c1 ZINC000272938738 474646036 /nfs/dbraw/zinc/64/60/36/474646036.db2.gz VASGJQLWGZYPNN-UHFFFAOYSA-N 0 3 342.395 2.868 20 10 EFCDHN CCOc1cccc(C[NH2+]Cc2cccc(N3CCOCC3)c2)c1[O-] ZINC000292923475 474715800 /nfs/dbraw/zinc/71/58/00/474715800.db2.gz IKOTYCWCODGDML-UHFFFAOYSA-N 0 3 342.439 2.917 20 10 EFCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+][C@]1(CCO)CCOC1 ZINC000278637735 474750529 /nfs/dbraw/zinc/75/05/29/474750529.db2.gz IRZAXVZKLSZQKO-HXUWFJFHSA-N 0 3 343.423 2.602 20 10 EFCDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000268143344 474825501 /nfs/dbraw/zinc/82/55/01/474825501.db2.gz KXZLKAFZKCVQDX-FZKQIMNGSA-N 0 3 343.471 2.553 20 10 EFCDHN COc1ccc([C@H](CN(C)C)NCc2cc(OC)ccc2O)cc1 ZINC000284980204 474849755 /nfs/dbraw/zinc/84/97/55/474849755.db2.gz IODNJCLRBMEDAX-SFHVURJKSA-N 0 3 330.428 2.802 20 10 EFCDHN CCCOc1ccc(CN2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)c(O)c1 ZINC000279089087 474959070 /nfs/dbraw/zinc/95/90/70/474959070.db2.gz ABJRLGWCYXVWED-QMTMVMCOSA-N 0 3 335.444 2.949 20 10 EFCDHN CCCOc1ccc(CN2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)c(O)c1 ZINC000279089082 474959478 /nfs/dbraw/zinc/95/94/78/474959478.db2.gz ABJRLGWCYXVWED-DOXZYTNZSA-N 0 3 335.444 2.949 20 10 EFCDHN CCN1CCN(C[C@@H](C)C[NH2+][C@H](C)c2ccc(C)c(C)c2[O-])CC1 ZINC000273563859 474964769 /nfs/dbraw/zinc/96/47/69/474964769.db2.gz IXVIIHVLBBVLGH-MAUKXSAKSA-N 0 3 333.520 2.933 20 10 EFCDHN C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cccc(O)c1[O-] ZINC000279425115 474975009 /nfs/dbraw/zinc/97/50/09/474975009.db2.gz YQYMDIZTGFTUNE-YOEHRIQHSA-N 0 3 340.423 2.738 20 10 EFCDHN C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cccc(O)c1[O-] ZINC000279425115 474975016 /nfs/dbraw/zinc/97/50/16/474975016.db2.gz YQYMDIZTGFTUNE-YOEHRIQHSA-N 0 3 340.423 2.738 20 10 EFCDHN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C2CCN(C3CCC3)CC2)c1 ZINC000273610331 474989745 /nfs/dbraw/zinc/98/97/45/474989745.db2.gz VOECIMNPPYWVPH-CYBMUJFWSA-N 0 3 332.444 2.846 20 10 EFCDHN CC[C@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1=O)c1ccc(C)cc1[O-] ZINC000280226854 475014542 /nfs/dbraw/zinc/01/45/42/475014542.db2.gz VAHNQTTZKLFQTR-QWHCGFSZSA-N 0 3 330.350 2.905 20 10 EFCDHN CC[C@H]([NH2+]C1CCN(C(=O)CCOC)CC1)c1ccc(C)cc1[O-] ZINC000280237040 475016090 /nfs/dbraw/zinc/01/60/90/475016090.db2.gz VQPDDQOVGMDFRL-KRWDZBQOSA-N 0 3 334.460 2.769 20 10 EFCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H]2COC3(CCCC3)O2)c1[O-] ZINC000273726088 475029167 /nfs/dbraw/zinc/02/91/67/475029167.db2.gz JGVVRTSPSDTXOW-CYBMUJFWSA-N 0 3 327.808 2.830 20 10 EFCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H](N2CCOCC2)C(F)(F)F)c([O-])c1 ZINC000285636301 475035859 /nfs/dbraw/zinc/03/58/59/475035859.db2.gz KRDLEOLCFYVXGI-SWLSCSKDSA-N 0 3 332.366 2.614 20 10 EFCDHN C[C@H](NCc1ccc(N(C)C)cc1)c1ccc2c(c1)OCC(=O)N2 ZINC000285802170 475042297 /nfs/dbraw/zinc/04/22/97/475042297.db2.gz VHHGEYHDASTFJZ-ZDUSSCGKSA-N 0 3 325.412 2.934 20 10 EFCDHN COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]Cc2ccccc2[O-])c1 ZINC000268819368 475043635 /nfs/dbraw/zinc/04/36/35/475043635.db2.gz JLTCKRPPUWODLC-ZDUSSCGKSA-N 0 3 344.411 2.916 20 10 EFCDHN C[C@H](Cn1ccnc1)N[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000268816802 475044034 /nfs/dbraw/zinc/04/40/34/475044034.db2.gz MOYSJXYFUVOSQZ-HUUCEWRRSA-N 0 3 332.423 2.598 20 10 EFCDHN C[C@@H](NC[C@H](O)c1cnn(C)c1)c1ccc(N2CCCCC2)c(F)c1 ZINC000268852400 475045995 /nfs/dbraw/zinc/04/59/95/475045995.db2.gz BYNAFDLHNFTBIJ-KUHUBIRLSA-N 0 3 346.450 2.934 20 10 EFCDHN C[C@H](NC[C@@H]1CN(C)CCN1C)c1ccc(N2CCCCC2)cc1 ZINC000268879910 475048384 /nfs/dbraw/zinc/04/83/84/475048384.db2.gz HQCJMEJAVPBHOB-FXAWDEMLSA-N 0 3 330.520 2.573 20 10 EFCDHN Cc1cc(CN2CCC([C@@H](O)c3nccn3C)CC2)ccc1N(C)C ZINC000293746941 475050467 /nfs/dbraw/zinc/05/04/67/475050467.db2.gz IGLULWQXUROVLQ-LJQANCHMSA-N 0 3 342.487 2.740 20 10 EFCDHN COc1cc([N+](=O)[O-])c(N2C[C@H](N3CCCC3)C[C@H]2C)cc1OC ZINC000286457481 475066664 /nfs/dbraw/zinc/06/66/64/475066664.db2.gz UQVQZILQUJCSSJ-CHWSQXEVSA-N 0 3 335.404 2.675 20 10 EFCDHN CC[C@@H](COCC(F)(F)F)[NH2+]Cc1cc(OC)c(OC)cc1[O-] ZINC000294684039 475079468 /nfs/dbraw/zinc/07/94/68/475079468.db2.gz BJENGCXEGHOVIS-NSHDSACASA-N 0 3 337.338 2.857 20 10 EFCDHN CCOC(=O)c1cnn(C2CC[NH+](Cc3ccccc3[O-])CC2)c1 ZINC000294856617 475086200 /nfs/dbraw/zinc/08/62/00/475086200.db2.gz SRFWDNWYBRZMEN-UHFFFAOYSA-N 0 3 329.400 2.603 20 10 EFCDHN COc1cc([O-])c(C[NH2+]C[C@H](Cc2ccccc2)OC)cc1OC ZINC000294860012 475088979 /nfs/dbraw/zinc/08/89/79/475088979.db2.gz TUGVDJCLNCVMTP-INIZCTEOSA-N 0 3 331.412 2.757 20 10 EFCDHN COC[C@@]1(C(=O)OC)CC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000295006874 475096567 /nfs/dbraw/zinc/09/65/67/475096567.db2.gz JCDWJBFLNPLNLX-LJQANCHMSA-N 0 3 329.396 2.557 20 10 EFCDHN COC[C@@]1(C(=O)OC)CC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000295006874 475096571 /nfs/dbraw/zinc/09/65/71/475096571.db2.gz JCDWJBFLNPLNLX-LJQANCHMSA-N 0 3 329.396 2.557 20 10 EFCDHN Cc1ccc([O-])c(C[N@H+]2C[C@H](c3cnn(C)c3)C3(C2)CCOCC3)c1 ZINC000295058836 475099841 /nfs/dbraw/zinc/09/98/41/475099841.db2.gz QDEROWMTHQYHKE-GOSISDBHSA-N 0 3 341.455 2.830 20 10 EFCDHN Cc1ccc([O-])c(C[N@@H+]2C[C@H](c3cnn(C)c3)C3(C2)CCOCC3)c1 ZINC000295058836 475099848 /nfs/dbraw/zinc/09/98/48/475099848.db2.gz QDEROWMTHQYHKE-GOSISDBHSA-N 0 3 341.455 2.830 20 10 EFCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C2CCC(CS(C)(=O)=O)CC2)c1 ZINC000295127883 475106051 /nfs/dbraw/zinc/10/60/51/475106051.db2.gz ODVNSUODFNBWSM-IYXRBSQSSA-N 0 3 341.473 2.655 20 10 EFCDHN CCOc1cccc(C[NH2+][C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c1[O-] ZINC000295207026 475111459 /nfs/dbraw/zinc/11/14/59/475111459.db2.gz ZLPYTIKYFKWWNI-FOLVSLTJSA-N 0 3 348.443 2.746 20 10 EFCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CC(C)(C)OCCO)c1[O-] ZINC000287404321 475132115 /nfs/dbraw/zinc/13/21/15/475132115.db2.gz RCJYBEUREJSYJQ-LLVKDONJSA-N 0 3 346.265 2.901 20 10 EFCDHN CCN1CCC[C@H]1CNC(=O)NCc1c(C)c2ccccc2n1C ZINC000349461836 475974120 /nfs/dbraw/zinc/97/41/20/475974120.db2.gz OQHADHJRFPWPCQ-HNNXBMFYSA-N 0 3 328.460 2.770 20 10 EFCDHN Cc1c2ccccc2n(C)c1CNC(=O)N[C@H]1CCCN(C)[C@H]1C ZINC000349895451 476016931 /nfs/dbraw/zinc/01/69/31/476016931.db2.gz PMGUBHHCAZNHAR-HOCLYGCPSA-N 0 3 328.460 2.769 20 10 EFCDHN Cc1c2ccccc2n(C)c1CNC(=O)NCC1(N(C)C)CCC1 ZINC000349906050 476019014 /nfs/dbraw/zinc/01/90/14/476019014.db2.gz GCFUCUQAQLDNTM-UHFFFAOYSA-N 0 3 328.460 2.770 20 10 EFCDHN CC[C@@H](C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1)N(C)C ZINC000299102305 476135238 /nfs/dbraw/zinc/13/52/38/476135238.db2.gz WQTLQKTVQRTWEV-MOPGFXCFSA-N 0 3 347.503 2.600 20 10 EFCDHN NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1ccc(N2CCCCC2)cc1 ZINC000368973033 476380833 /nfs/dbraw/zinc/38/08/33/476380833.db2.gz IJONNXROCSMBMM-QRQLOZEOSA-N 0 3 327.472 2.763 20 10 EFCDHN NC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1Cc1ccc(N2CCCCC2)cc1 ZINC000368973032 476381658 /nfs/dbraw/zinc/38/16/58/476381658.db2.gz IJONNXROCSMBMM-NEWSRXKRSA-N 0 3 327.472 2.763 20 10 EFCDHN COc1cc([O-])c(C[N@@H+]2CCC[C@H](c3nccn3C)C2)cc1OC ZINC000373225242 476386486 /nfs/dbraw/zinc/38/64/86/476386486.db2.gz DKYQRBMHQOZEDI-ZDUSSCGKSA-N 0 3 331.416 2.523 20 10 EFCDHN COc1cc([O-])c(C[N@H+]2CCC[C@H](c3nccn3C)C2)cc1OC ZINC000373225242 476386491 /nfs/dbraw/zinc/38/64/91/476386491.db2.gz DKYQRBMHQOZEDI-ZDUSSCGKSA-N 0 3 331.416 2.523 20 10 EFCDHN COc1ccc(CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)c([O-])c1 ZINC000369546015 476425990 /nfs/dbraw/zinc/42/59/90/476425990.db2.gz MDXJEINLKJAZRH-OAHLLOKOSA-N 0 3 327.384 2.539 20 10 EFCDHN Cc1cccc(C[N@@H+]2CCCC[C@H]2COC(=O)N[C@@H]2CCOC2)c1[O-] ZINC000377720506 476545073 /nfs/dbraw/zinc/54/50/73/476545073.db2.gz LTYRYFUWTJWCBS-SJORKVTESA-N 0 3 348.443 2.570 20 10 EFCDHN Cc1cccc(C[N@H+]2CCCC[C@H]2COC(=O)N[C@@H]2CCOC2)c1[O-] ZINC000377720506 476545076 /nfs/dbraw/zinc/54/50/76/476545076.db2.gz LTYRYFUWTJWCBS-SJORKVTESA-N 0 3 348.443 2.570 20 10 EFCDHN Cc1n[nH]cc1C1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000375273102 476752863 /nfs/dbraw/zinc/75/28/63/476752863.db2.gz XCYAKXSWTGIPBX-UHFFFAOYSA-N 0 3 340.471 2.934 20 10 EFCDHN COc1ccc(N2CCC(NCc3cccc(N(C)C)n3)CC2)cc1 ZINC000376487654 477358876 /nfs/dbraw/zinc/35/88/76/477358876.db2.gz YDNMNIHNVAYFIW-UHFFFAOYSA-N 0 3 340.471 2.915 20 10 EFCDHN COC(=O)C(C)(C)CCN1CCCN(c2ccc(OC)cc2)CC1 ZINC000377075618 477629473 /nfs/dbraw/zinc/62/94/73/477629473.db2.gz CHLWPZHNPYKWTM-UHFFFAOYSA-N 0 3 334.460 2.797 20 10 EFCDHN COc1cc(Cl)cc(CN2CCOC3(CCOCC3)CC2)c1O ZINC000372128500 477652726 /nfs/dbraw/zinc/65/27/26/477652726.db2.gz MSELTQFOJFDUFH-UHFFFAOYSA-N 0 3 341.835 2.826 20 10 EFCDHN OC[C@H]1[C@@H]2CN(Cc3ccc4c(c3)CCN4Cc3ccccc3)C[C@H]12 ZINC000367782673 477688848 /nfs/dbraw/zinc/68/88/48/477688848.db2.gz UAOGMCHQGIBQIY-AERCQKQUSA-N 0 3 334.463 2.919 20 10 EFCDHN CCOc1cccc(CN2CCC[C@H](N3CCCCC3=O)C2)c1O ZINC000372413702 477795478 /nfs/dbraw/zinc/79/54/78/477795478.db2.gz PKZHRESKWIQINS-INIZCTEOSA-N 0 3 332.444 2.768 20 10 EFCDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+]C[C@H]1COCCN1 ZINC000530222557 477879052 /nfs/dbraw/zinc/87/90/52/477879052.db2.gz GFYCFYBJJJOLLN-HKUYNNGSSA-N 0 3 326.440 2.644 20 10 EFCDHN Cc1c2ccccc2n(C)c1CNC(=O)N(C)[C@H]1CCN(C)C[C@@H]1C ZINC000472221619 478012618 /nfs/dbraw/zinc/01/26/18/478012618.db2.gz IARCNDSIKAQKIX-YOEHRIQHSA-N 0 3 342.487 2.968 20 10 EFCDHN Cc1c2ccccc2n(C)c1CNC(=O)N(C)[C@@H]1CCN(C)C[C@H]1C ZINC000472221616 478012637 /nfs/dbraw/zinc/01/26/37/478012637.db2.gz IARCNDSIKAQKIX-RHSMWYFYSA-N 0 3 342.487 2.968 20 10 EFCDHN Cc1c2ccccc2n(C)c1CNC(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000472242861 478013693 /nfs/dbraw/zinc/01/36/93/478013693.db2.gz PYQJZKUKSSPLLQ-MRXNPFEDSA-N 0 3 342.487 2.970 20 10 EFCDHN COCCc1noc(CC2CC[NH+](Cc3cccc(C)c3[O-])CC2)n1 ZINC000529642867 479234119 /nfs/dbraw/zinc/23/41/19/479234119.db2.gz OPUOBMZXQLKITL-UHFFFAOYSA-N 0 3 345.443 2.727 20 10 EFCDHN Oc1cc2c(cc1CN1CCC(O)(c3ccccc3)CC1)OCO2 ZINC000185638169 534449669 /nfs/dbraw/zinc/44/96/69/534449669.db2.gz AOWNKQQJWMGQBG-UHFFFAOYSA-N 0 3 327.380 2.605 20 10 EFCDHN CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@H]2CCc3cccc([O-])c32)c1 ZINC000297965462 522310510 /nfs/dbraw/zinc/31/05/10/522310510.db2.gz ZMBMGXBYXBMMIZ-WBMJQRKESA-N 0 3 346.452 2.638 20 10 EFCDHN CCC[N@H+](Cc1nn2c(nc(C)cc2=O)s1)Cc1ccccc1[O-] ZINC000170779294 528155304 /nfs/dbraw/zinc/15/53/04/528155304.db2.gz VVZMQPQYAIVXIF-UHFFFAOYSA-N 0 3 344.440 2.577 20 10 EFCDHN CCC[N@@H+](Cc1nn2c(nc(C)cc2=O)s1)Cc1ccccc1[O-] ZINC000170779294 528155309 /nfs/dbraw/zinc/15/53/09/528155309.db2.gz VVZMQPQYAIVXIF-UHFFFAOYSA-N 0 3 344.440 2.577 20 10 EFCDHN CCOCc1cc(CNC(C)(C)CCS(C)(=O)=O)ccc1OC ZINC000174637826 529034841 /nfs/dbraw/zinc/03/48/41/529034841.db2.gz GEVUXIHBMMCOFD-UHFFFAOYSA-N 0 3 343.489 2.535 20 10 EFCDHN CCN(CC)S(=O)(=O)c1ccc(C[NH2+]Cc2ccccc2[O-])cc1 ZINC000237000694 535632183 /nfs/dbraw/zinc/63/21/83/535632183.db2.gz ZARWZQHSYDZIAQ-UHFFFAOYSA-N 0 3 348.468 2.713 20 10 EFCDHN CCC[C@H](N)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000236915087 535678603 /nfs/dbraw/zinc/67/86/03/535678603.db2.gz FIRXUXNVVQOQBU-DOMZBBRYSA-N 0 3 341.402 2.500 20 10 EFCDHN COc1cc(O)c(CN[C@@H](C)c2ccc([S@](C)=O)cc2)cc1OC ZINC000271864946 536856195 /nfs/dbraw/zinc/85/61/95/536856195.db2.gz WACRGBMRCIPHKG-MCFWBGNESA-N 0 3 349.452 2.998 20 10 EFCDHN Cc1cc(CNC[C@H](C)S(C)(=O)=O)c(C)n1-c1cccc(C)c1 ZINC000754081647 575386789 /nfs/dbraw/zinc/38/67/89/575386789.db2.gz JKXGGXPUSDEKOL-HNNXBMFYSA-N 0 3 334.485 2.925 20 10 EFCDHN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCCN2CCC(C)CC2)c1 ZINC000756361582 575723253 /nfs/dbraw/zinc/72/32/53/575723253.db2.gz KGUMTNAFSVERBY-OAHLLOKOSA-N 0 3 334.460 2.951 20 10 EFCDHN CNC(=O)COc1cccc(C[NH2+][C@H](C)c2cc(F)ccc2[O-])c1 ZINC000756433618 575738538 /nfs/dbraw/zinc/73/85/38/575738538.db2.gz FIZMEJPHUDQBIV-GFCCVEGCSA-N 0 3 332.375 2.507 20 10 EFCDHN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](C)CN2CCCCC2)c1 ZINC000756435129 575738834 /nfs/dbraw/zinc/73/88/34/575738834.db2.gz WJQIHTPIRYQYBF-HUUCEWRRSA-N 0 3 334.460 2.951 20 10 EFCDHN C[C@H](NC[C@@H](O)C[NH+]1CCCC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000756459915 575742640 /nfs/dbraw/zinc/74/26/40/575742640.db2.gz QECCXDGDHRYRHZ-WDEREUQCSA-N 0 3 333.259 2.806 20 10 EFCDHN CCN1CCN(C[C@H](C)C[NH2+][C@H]2C[C@H](C)c3c2c([O-])ccc3F)CC1 ZINC000756534790 575756558 /nfs/dbraw/zinc/75/65/58/575756558.db2.gz OQYIGFOJHVFLIS-VYDXJSESSA-N 0 3 349.494 2.943 20 10 EFCDHN Cc1ccc([O-])c([C@H](C)[NH2+]CCOc2ccc(S(C)(=O)=O)cc2)c1 ZINC000756553725 575760727 /nfs/dbraw/zinc/76/07/27/575760727.db2.gz HXHMHPAZPIEIQU-AWEZNQCLSA-N 0 3 349.452 2.834 20 10 EFCDHN COc1ccc([O-])c([C@H](C)[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)c1 ZINC000756572656 575764489 /nfs/dbraw/zinc/76/44/89/575764489.db2.gz HHUNFOKVOBCANN-YOEHRIQHSA-N 0 3 334.460 2.695 20 10 EFCDHN C[C@H](NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1cc(F)cc(F)c1[O-] ZINC000756587046 575765661 /nfs/dbraw/zinc/76/56/61/575765661.db2.gz YJCLEEFSTYCNJA-STQMWFEESA-N 0 3 340.414 2.822 20 10 EFCDHN C[C@H]1C[C@@H]([NH2+]CCS(=O)(=O)C(C)(C)C)c2c1c(F)ccc2[O-] ZINC000756709433 575779678 /nfs/dbraw/zinc/77/96/78/575779678.db2.gz ZKRXUMJPTARLLJ-CMPLNLGQSA-N 0 3 329.437 2.883 20 10 EFCDHN CON(C)C(=O)[C@H](CCSC)N[C@@H](C)c1ccc(C)c(C)c1O ZINC000756760904 575784761 /nfs/dbraw/zinc/78/47/61/575784761.db2.gz KROOPEZSTGDSOQ-ZFWWWQNUSA-N 0 3 340.489 2.801 20 10 EFCDHN C[C@H]([NH2+][C@@H]1CCCN(Cc2ccccn2)C1=O)c1cc(F)ccc1[O-] ZINC000757659710 575848171 /nfs/dbraw/zinc/84/81/71/575848171.db2.gz ZLFIWYVDCVPENS-SUMWQHHRSA-N 0 3 343.402 2.768 20 10 EFCDHN COc1ccc(O)c([C@@H](C)NCc2ccc3c(c2)C(=O)NCC3)c1 ZINC000757661000 575848369 /nfs/dbraw/zinc/84/83/69/575848369.db2.gz LZPZLFKRGVWAEH-GFCCVEGCSA-N 0 3 326.396 2.538 20 10 EFCDHN Cc1cccc(C[NH2+]C[C@@H](Cc2ccccc2Cl)C(N)=O)c1[O-] ZINC000757906119 575855579 /nfs/dbraw/zinc/85/55/79/575855579.db2.gz JIUAVISZSZIGIG-OAHLLOKOSA-N 0 3 332.831 2.788 20 10 EFCDHN COCC1(O)CC[NH+](Cc2c([O-])ccc3ccc(OC)cc32)CC1 ZINC000758375970 575868036 /nfs/dbraw/zinc/86/80/36/575868036.db2.gz XWYWMGPQTIUQTC-UHFFFAOYSA-N 0 3 331.412 2.527 20 10 EFCDHN CC[C@@H](CN1CCCC1)NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000758693544 575875700 /nfs/dbraw/zinc/87/57/00/575875700.db2.gz DWUYIWWTLUPTRB-SFHVURJKSA-N 0 3 344.503 2.960 20 10 EFCDHN CC[C@H](CN1CCCC1)NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000758727872 575876407 /nfs/dbraw/zinc/87/64/07/575876407.db2.gz AQBZOBYOIUSQMC-GOSISDBHSA-N 0 3 344.503 2.743 20 10 EFCDHN Cn1nc(CNCc2ccc(N3CCN(C)CC3)cc2)c2ccccc21 ZINC000759191345 575886640 /nfs/dbraw/zinc/88/66/40/575886640.db2.gz RPUXOXNUSYUJLH-UHFFFAOYSA-N 0 3 349.482 2.615 20 10 EFCDHN C[C@H](CNC(=O)NCCCSc1nccs1)N1CCCCC1 ZINC000759571421 575902765 /nfs/dbraw/zinc/90/27/65/575902765.db2.gz ZTEGHQOXSOXZPH-CYBMUJFWSA-N 0 3 342.534 2.799 20 10 EFCDHN CC[C@@H](CN1CCCC1)NC(=O)NCCCSc1nccs1 ZINC000759586589 575904954 /nfs/dbraw/zinc/90/49/54/575904954.db2.gz RZIWIPQLZOBGSM-ZDUSSCGKSA-N 0 3 342.534 2.799 20 10 EFCDHN CC(C)CN(CCN(C)C)C(=O)NCCCSc1nccs1 ZINC000759600167 575907466 /nfs/dbraw/zinc/90/74/66/575907466.db2.gz AHODWCRHVOYKLO-UHFFFAOYSA-N 0 3 344.550 2.855 20 10 EFCDHN CC(C)N(CCCCS(C)(=O)=O)Cc1ccc(N(C)C)cc1 ZINC000759786199 575934027 /nfs/dbraw/zinc/93/40/27/575934027.db2.gz WBHPLGSIDPAKML-UHFFFAOYSA-N 0 3 326.506 2.788 20 10 EFCDHN COc1cccc([O-])c1C[NH2+]CCOc1ccc(C(F)(F)F)cn1 ZINC000760700894 576063646 /nfs/dbraw/zinc/06/36/46/576063646.db2.gz NETSJNLWAFRBAC-UHFFFAOYSA-N 0 3 342.317 2.983 20 10 EFCDHN CN(C)CCOc1ccc(N(C)Cc2cc3c(cc2O)OCO3)cc1 ZINC000761221397 576131751 /nfs/dbraw/zinc/13/17/51/576131751.db2.gz LRVFTXDNGZJVTB-UHFFFAOYSA-N 0 3 344.411 2.698 20 10 EFCDHN CCO[C@@H]1COCC[C@@H]1[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000761222752 576132179 /nfs/dbraw/zinc/13/21/79/576132179.db2.gz MMLVEPWXUJUTQR-UONOGXRCSA-N 0 3 344.249 2.747 20 10 EFCDHN CCO[C@H]1COCC[C@H]1[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000761222750 576132396 /nfs/dbraw/zinc/13/23/96/576132396.db2.gz MMLVEPWXUJUTQR-KGLIPLIRSA-N 0 3 344.249 2.747 20 10 EFCDHN C[C@H](NCc1cccc(NS(C)(=O)=O)c1)c1ccc(N(C)C)cc1 ZINC000764767203 576500779 /nfs/dbraw/zinc/50/07/79/576500779.db2.gz HKBFYEGAISDNFN-AWEZNQCLSA-N 0 3 347.484 2.975 20 10 EFCDHN COC[C@H](NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)C1CC1 ZINC000765128954 577009979 /nfs/dbraw/zinc/00/99/79/577009979.db2.gz YXCXSVXDRSHJDW-DEYYWGMASA-N 0 3 336.451 2.954 20 10 EFCDHN O=[N+]([O-])c1cc(CN[C@@H]2C=C[C@H](CO)C2)ccc1N1CCCCC1 ZINC000765253660 577023597 /nfs/dbraw/zinc/02/35/97/577023597.db2.gz ILFDORRXZBAFGA-JKSUJKDBSA-N 0 3 331.416 2.612 20 10 EFCDHN COC(=O)C[C@]1([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CCOC1 ZINC000766471791 577155131 /nfs/dbraw/zinc/15/51/31/577155131.db2.gz ZVYUOCDTMLDSKG-HXUWFJFHSA-N 0 3 341.407 2.871 20 10 EFCDHN CCOc1ccc(C[NH2+]Cc2ccc(Cn3cncn3)cc2)c([O-])c1 ZINC000725845096 577246268 /nfs/dbraw/zinc/24/62/68/577246268.db2.gz KJDOMHNKUHZFPJ-UHFFFAOYSA-N 0 3 338.411 2.721 20 10 EFCDHN COc1cccc(CN[C@@H](CC(=O)N(C)C)c2ccccc2)c1O ZINC000725846669 577247209 /nfs/dbraw/zinc/24/72/09/577247209.db2.gz OMCBMSMDSADGNS-INIZCTEOSA-N 0 3 328.412 2.710 20 10 EFCDHN COc1cccc([O-])c1C[NH+]1CCC(NC(=O)c2ccccc2)CC1 ZINC000768220313 577261375 /nfs/dbraw/zinc/26/13/75/577261375.db2.gz NPEJUAYMRBDLEX-UHFFFAOYSA-N 0 3 340.423 2.795 20 10 EFCDHN CCOc1ccc([O-])c(C[NH+]2CCC(C(=O)NCC(C)C)CC2)c1 ZINC000768229607 577261930 /nfs/dbraw/zinc/26/19/30/577261930.db2.gz NASKLTHFRRMOFH-UHFFFAOYSA-N 0 3 334.460 2.775 20 10 EFCDHN C[N@H+](CCCOc1ccccc1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768438649 577273564 /nfs/dbraw/zinc/27/35/64/577273564.db2.gz DEEJGMCQMLCLDY-SFHVURJKSA-N 0 3 329.396 2.719 20 10 EFCDHN C[N@@H+](CCCOc1ccccc1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768438649 577273565 /nfs/dbraw/zinc/27/35/65/577273565.db2.gz DEEJGMCQMLCLDY-SFHVURJKSA-N 0 3 329.396 2.719 20 10 EFCDHN C[C@H](C(=O)NCc1ccc2c(c1)CCCN2C)N1[C@H](C)CC[C@H]1C ZINC000725893715 577273602 /nfs/dbraw/zinc/27/36/02/577273602.db2.gz SXQCGZRVFUOMFF-BZUAXINKSA-N 0 3 329.488 2.947 20 10 EFCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@H](Cc3ccccc3)C1)[C@@H](O)CO2 ZINC000768448992 577274840 /nfs/dbraw/zinc/27/48/40/577274840.db2.gz YZTDWXQAEUELLE-BEFAXECRSA-N 0 3 325.408 2.883 20 10 EFCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@H](Cc3ccccc3)C1)[C@@H](O)CO2 ZINC000768448992 577274842 /nfs/dbraw/zinc/27/48/42/577274842.db2.gz YZTDWXQAEUELLE-BEFAXECRSA-N 0 3 325.408 2.883 20 10 EFCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@H](c3cccc(F)c3)C1)[C@@H](O)CO2 ZINC000768452706 577274976 /nfs/dbraw/zinc/27/49/76/577274976.db2.gz QVDBSFMPELSEEE-UGSOOPFHSA-N 0 3 329.371 2.947 20 10 EFCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@H](c3cccc(F)c3)C1)[C@@H](O)CO2 ZINC000768452706 577274978 /nfs/dbraw/zinc/27/49/78/577274978.db2.gz QVDBSFMPELSEEE-UGSOOPFHSA-N 0 3 329.371 2.947 20 10 EFCDHN CCO[C@@H]1C[C@@H]([N@H+](C)Cc2cc3c(cc2[O-])OC[C@@H]3O)C12CCC2 ZINC000768461287 577275545 /nfs/dbraw/zinc/27/55/45/577275545.db2.gz ACLQZKFJCBQSOP-CGTJXYLNSA-N 0 3 333.428 2.598 20 10 EFCDHN CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2cc3c(cc2[O-])OC[C@@H]3O)C12CCC2 ZINC000768461287 577275546 /nfs/dbraw/zinc/27/55/46/577275546.db2.gz ACLQZKFJCBQSOP-CGTJXYLNSA-N 0 3 333.428 2.598 20 10 EFCDHN CCC1(CC)[C@H](OC)C[C@H]1[N@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768462503 577275692 /nfs/dbraw/zinc/27/56/92/577275692.db2.gz MCJVXRWQSKAXCY-KBAYOESNSA-N 0 3 335.444 2.844 20 10 EFCDHN CCC1(CC)[C@H](OC)C[C@H]1[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768462503 577275695 /nfs/dbraw/zinc/27/56/95/577275695.db2.gz MCJVXRWQSKAXCY-KBAYOESNSA-N 0 3 335.444 2.844 20 10 EFCDHN C[C@H](Cn1cccn1)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000768676553 577294426 /nfs/dbraw/zinc/29/44/26/577294426.db2.gz DQZXUEKDAQRWLC-OAGGEKHMSA-N 0 3 346.450 2.814 20 10 EFCDHN Cc1ccc([O-])c(C[NH+]2CCC(C(=O)NCC(F)(F)F)CC2)c1 ZINC000768781203 577301887 /nfs/dbraw/zinc/30/18/87/577301887.db2.gz PSUIHAAXSVOGRM-UHFFFAOYSA-N 0 3 330.350 2.591 20 10 EFCDHN COc1cccc([O-])c1C[NH+]1CCC(C(=O)N2CCC[C@H](C)C2)CC1 ZINC000768867108 577311641 /nfs/dbraw/zinc/31/16/41/577311641.db2.gz BDWVHDZFDAGEAL-HNNXBMFYSA-N 0 3 346.471 2.871 20 10 EFCDHN CCOc1ccc(C[NH+]2CCC(CCN3CCOCC3)CC2)c([O-])c1 ZINC000769206513 577344461 /nfs/dbraw/zinc/34/44/61/577344461.db2.gz OFLFOBSWMKAJKV-UHFFFAOYSA-N 0 3 348.487 2.725 20 10 EFCDHN CCN(CC)c1ccc(CN2CCN([C@H]3CCC[C@H]3O)CC2)cc1F ZINC000769330416 577352663 /nfs/dbraw/zinc/35/26/63/577352663.db2.gz WMBUKJAHOWQIBN-VQTJNVASSA-N 0 3 349.494 2.703 20 10 EFCDHN CCOc1ccc(CN2CCN(c3cc(OC)ccn3)CC2)c(O)c1 ZINC000769331072 577352900 /nfs/dbraw/zinc/35/29/00/577352900.db2.gz BXZHDMYMXIAIPX-UHFFFAOYSA-N 0 3 343.427 2.517 20 10 EFCDHN COc1cccc(O)c1CN(C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000769335545 577353066 /nfs/dbraw/zinc/35/30/66/577353066.db2.gz ZKQBVJVQLMUCPA-CYBMUJFWSA-N 0 3 336.432 2.842 20 10 EFCDHN Oc1ccc(Br)cc1CN1CCN(C2CCC2)CC1 ZINC000769413496 577360827 /nfs/dbraw/zinc/36/08/27/577360827.db2.gz SCDFGGMSHAOGEY-UHFFFAOYSA-N 0 3 325.250 2.825 20 10 EFCDHN CC[C@@H]1CN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C[C@@H]1O ZINC000770381838 577414064 /nfs/dbraw/zinc/41/40/64/577414064.db2.gz QECQYWMHKPDKIM-QAPCUYQASA-N 0 3 333.432 2.788 20 10 EFCDHN CCOc1ccc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2cnn(C)c2)c([O-])c1 ZINC000770382921 577414256 /nfs/dbraw/zinc/41/42/56/577414256.db2.gz FQLIUXWEAPCUQB-WMZOPIPTSA-N 0 3 345.443 2.613 20 10 EFCDHN CCOc1ccc(C[N@H+]2CCC[C@H]2C[C@H](O)c2cnn(C)c2)c([O-])c1 ZINC000770382921 577414257 /nfs/dbraw/zinc/41/42/57/577414257.db2.gz FQLIUXWEAPCUQB-WMZOPIPTSA-N 0 3 345.443 2.613 20 10 EFCDHN O=C(NC1CC[NH+](Cc2ccccc2[O-])CC1)c1ccc(F)cc1 ZINC000770509305 577422253 /nfs/dbraw/zinc/42/22/53/577422253.db2.gz KTOFXXOCZYSGOS-UHFFFAOYSA-N 0 3 328.387 2.926 20 10 EFCDHN COC[C@@H](NCc1ccc(N2CCN(C)CC2)cc1)c1ccc(C)o1 ZINC000771843462 581250005 /nfs/dbraw/zinc/25/00/05/581250005.db2.gz PZSYEQITAOVQBN-LJQANCHMSA-N 0 3 343.471 2.817 20 10 EFCDHN C[C@@H](CN1CCCCC1)NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773360733 581423036 /nfs/dbraw/zinc/42/30/36/581423036.db2.gz GWRQKENZHWRICM-HOTGVXAUSA-N 0 3 332.492 2.987 20 10 EFCDHN C[C@@H](NC(=O)N[C@@H](C)CN1CCCCC1)c1ccc(N(C)C)cc1 ZINC000773360743 581423080 /nfs/dbraw/zinc/42/30/80/581423080.db2.gz GWRQKENZHWRICM-JKSUJKDBSA-N 0 3 332.492 2.987 20 10 EFCDHN C[C@H](CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)N1CCCCC1 ZINC000773366736 581423440 /nfs/dbraw/zinc/42/34/40/581423440.db2.gz GIZIZILPUAMPOR-CVEARBPZSA-N 0 3 332.492 2.987 20 10 EFCDHN Cc1cc(N(C)C)ccc1CN[C@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000774415001 581491082 /nfs/dbraw/zinc/49/10/82/581491082.db2.gz LXPPZIIYWUIJMG-CQSZACIVSA-N 0 3 347.484 2.559 20 10 EFCDHN CCOc1cccc(C[NH2+][C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1O ZINC000821430881 599397266 /nfs/dbraw/zinc/39/72/66/599397266.db2.gz HSELLLVVWRGPDW-LBPRGKRZSA-N 0 3 339.399 2.822 20 10 EFCDHN COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826210138 608502151 /nfs/dbraw/zinc/50/21/51/608502151.db2.gz GBPPNZJPABHAGC-NWDGAFQWSA-N 0 3 339.399 2.993 20 10 EFCDHN CCS(=O)(=O)C[C@H](C)NCc1cc(OC)cc(C(C)(C)C)c1O ZINC000850135546 1250307272 /nfs/dbraw/zinc/30/72/72/1250307272.db2.gz NZYJLZMNHQCMLJ-LBPRGKRZSA-N 0 3 343.489 2.611 20 10 EFCDHN O=C(NCC(F)F)[C@@H]1CC12CC[NH+](Cc1cc(F)ccc1[O-])CC2 ZINC001273285023 1265476838 /nfs/dbraw/zinc/47/68/38/1265476838.db2.gz MNPHXZAUFBECTJ-ZDUSSCGKSA-N 0 3 342.361 2.515 20 10 EFCDHN COc1cc(CN[C@H]2C[C@H]3CCCCN3C2=O)c(O)c(C(C)(C)C)c1 ZINC000850319756 1250426443 /nfs/dbraw/zinc/42/64/43/1250426443.db2.gz FSQKPDGNLQCGJQ-PBHICJAKSA-N 0 3 346.471 2.941 20 10 EFCDHN O=[N+]([O-])c1cccc(CNCc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000850405624 1250469540 /nfs/dbraw/zinc/46/95/40/1250469540.db2.gz XBDOJWSNKCGYGE-UHFFFAOYSA-N 0 3 341.411 2.846 20 10 EFCDHN COc1cccc([O-])c1C[NH2+]C[C@H](O)c1cc(F)c(F)c(F)c1 ZINC000850418845 1250476032 /nfs/dbraw/zinc/47/60/32/1250476032.db2.gz RIFZRZPMFCRJDH-AWEZNQCLSA-N 0 3 327.302 2.641 20 10 EFCDHN C[C@@H](N[C@H]1CCCn2nccc21)c1ccc(N2CCOCC2)cc1 ZINC000850428137 1250486249 /nfs/dbraw/zinc/48/62/49/1250486249.db2.gz KQPXLKHRKKCIPM-QAPCUYQASA-N 0 3 326.444 2.905 20 10 EFCDHN Cc1ccc(CN2CC[C@@H]3[C@H]2CCC(=O)N3CC(F)(F)F)c(O)c1 ZINC001272765822 1257691759 /nfs/dbraw/zinc/69/17/59/1257691759.db2.gz KZYWSJJKIMXYDW-ZIAGYGMSSA-N 0 3 342.361 2.828 20 10 EFCDHN Cc1ccc(C[N@@H+]2CCCC[C@]23CC(=O)N(CC(F)F)C3)c([O-])c1 ZINC001272766630 1257710879 /nfs/dbraw/zinc/71/08/79/1257710879.db2.gz SKUUKMPOSXHITA-GOSISDBHSA-N 0 3 338.398 2.923 20 10 EFCDHN Cc1ccc(C[N@H+]2CCCC[C@]23CC(=O)N(CC(F)F)C3)c([O-])c1 ZINC001272766630 1257710883 /nfs/dbraw/zinc/71/08/83/1257710883.db2.gz SKUUKMPOSXHITA-GOSISDBHSA-N 0 3 338.398 2.923 20 10 EFCDHN CN1CC[C@]2(CCCN2Cc2ccc(N3CCCCC3)cc2)C1=O ZINC001273306945 1266249261 /nfs/dbraw/zinc/24/92/61/1266249261.db2.gz OHDLKHOORBLIGQ-HXUWFJFHSA-N 0 3 327.472 2.874 20 10 EFCDHN CCOc1ccc(O)c(CN[C@@H]2CCN(C3CCCCC3)C2=O)c1 ZINC000131652514 1260444361 /nfs/dbraw/zinc/44/43/61/1260444361.db2.gz YRRQRVJVIZVWMM-QGZVFWFLSA-N 0 3 332.444 2.814 20 10 EFCDHN O=C1[C@H](NCc2ccc3c(c2)CCCO3)CCCN1CC(F)(F)F ZINC000921915633 1263371382 /nfs/dbraw/zinc/37/13/82/1263371382.db2.gz WBSVMFBLENWCSK-CQSZACIVSA-N 0 3 342.361 2.655 20 10 EFCDHN CC(C)(NCc1cc2c(cc1O)OCO2)C(=O)Nc1ccccc1 ZINC000731041606 1264531194 /nfs/dbraw/zinc/53/11/94/1264531194.db2.gz JPICSMKLOWBJOC-UHFFFAOYSA-N 0 3 328.368 2.628 20 10 EFCDHN CCS(=O)(=O)C[C@@H](C)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000733329539 1265172526 /nfs/dbraw/zinc/17/25/26/1265172526.db2.gz VANAUUAPYZRCKF-CQSZACIVSA-N 0 3 333.453 2.972 20 10 EFCDHN CC(=O)[C@@H](C)N1CC[C@]2(CCCN2Cc2c(C)ccc(C)c2O)C1=O ZINC001273049163 1266788104 /nfs/dbraw/zinc/78/81/04/1266788104.db2.gz ONNVVPWLGAHYLO-FOIQADDNSA-N 0 3 344.455 2.553 20 10 EFCDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000734286057 1266937870 /nfs/dbraw/zinc/93/78/70/1266937870.db2.gz YHYQJTBOTWYNOP-MRXNPFEDSA-N 0 3 330.476 2.521 20 10 EFCDHN CN(C)c1ccc(CN(C(=O)N[C@H]2CCN(C3CC3)C2)C2CC2)cc1 ZINC000734285326 1266938398 /nfs/dbraw/zinc/93/83/98/1266938398.db2.gz JQHDWOYUFWMSKC-INIZCTEOSA-N 0 3 342.487 2.663 20 10 EFCDHN O=S1(=O)CCC[C@H]([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000735925859 1267456964 /nfs/dbraw/zinc/45/69/64/1267456964.db2.gz WPZYTIUVHDVGCW-KRWDZBQOSA-N 0 3 331.437 2.726 20 10 EFCDHN COc1cc(CN2CCSC[C@H]2CCO)c(O)c(C(C)(C)C)c1 ZINC000824919920 1278354412 /nfs/dbraw/zinc/35/44/12/1278354412.db2.gz AUYFTWMNBBSFJN-CQSZACIVSA-N 0 3 339.501 2.998 20 10 EFCDHN CCOc1ccc(C[NH2+][C@@H]2CCO[C@@H](c3ccnn3C)C2)c([O-])c1 ZINC000825046280 1278396441 /nfs/dbraw/zinc/39/64/41/1278396441.db2.gz RPDPSPTTYQZFLI-RDTXWAMCSA-N 0 3 331.416 2.534 20 10 EFCDHN Cc1cc(Br)cc(C[NH2+][C@@H](C)Cc2cnn(C)c2)c1[O-] ZINC000825046246 1278396767 /nfs/dbraw/zinc/39/67/67/1278396767.db2.gz RGBZBNQWOJJYFD-NSHDSACASA-N 0 3 338.249 2.917 20 10 EFCDHN CCOc1ccc(C[NH2+][C@@H]2CCO[C@H](c3ccnn3C)C2)c([O-])c1 ZINC000825046278 1278397066 /nfs/dbraw/zinc/39/70/66/1278397066.db2.gz RPDPSPTTYQZFLI-KDOFPFPSSA-N 0 3 331.416 2.534 20 10 EFCDHN COc1cccc([O-])c1C[NH2+][C@@H]1C[C@@H](OC(C)(C)C)[C@H]1n1cccn1 ZINC000825117692 1278417312 /nfs/dbraw/zinc/41/73/12/1278417312.db2.gz JSWPXSUTPJFCLY-OLMNPRSZSA-N 0 3 345.443 2.884 20 10 EFCDHN COc1ccc(N2CCC(NC(=O)CN3[C@H](C)CC[C@@H]3C)CC2)cc1 ZINC000741139877 1269349351 /nfs/dbraw/zinc/34/93/51/1269349351.db2.gz HCDDIWAPZHYCGM-IYBDPMFKSA-N 0 3 345.487 2.653 20 10 EFCDHN [O-]c1ccccc1C[N@H+](CCOC[C@@H]1CCCO1)C[C@H]1CCCO1 ZINC000741248775 1269430637 /nfs/dbraw/zinc/43/06/37/1269430637.db2.gz CLKRDKCUQZIMGW-MSOLQXFVSA-N 0 3 335.444 2.569 20 10 EFCDHN [O-]c1ccccc1C[N@@H+](CCOC[C@@H]1CCCO1)C[C@H]1CCCO1 ZINC000741248775 1269430646 /nfs/dbraw/zinc/43/06/46/1269430646.db2.gz CLKRDKCUQZIMGW-MSOLQXFVSA-N 0 3 335.444 2.569 20 10 EFCDHN CN1CCCC[C@@H](C[NH2+]Cc2cccc(Br)c2[O-])C1 ZINC000700809402 1269549208 /nfs/dbraw/zinc/54/92/08/1269549208.db2.gz PIPIOACPGNTFHZ-LBPRGKRZSA-N 0 3 327.266 2.976 20 10 EFCDHN CN(C)c1ccc(CN[C@@H]2CC(=O)N([C@H]3C[C@H]3c3ccccc3)C2)cc1 ZINC000742391830 1270019966 /nfs/dbraw/zinc/01/99/66/1270019966.db2.gz MNLVZLCSHQKIRY-GIVPXCGWSA-N 0 3 349.478 2.999 20 10 EFCDHN C[C@@H](NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccncc1 ZINC000743472070 1270597775 /nfs/dbraw/zinc/59/77/75/1270597775.db2.gz JVYLVAABKRGXAC-CRAIPNDOSA-N 0 3 338.455 2.634 20 10 EFCDHN C[C@@H]1CCCN1C(=O)CC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000744403365 1271028346 /nfs/dbraw/zinc/02/83/46/1271028346.db2.gz YWODHLFOLOXMHW-SJLPKXTDSA-N 0 3 346.471 2.774 20 10 EFCDHN C[C@@H]1CCCN1C(=O)CC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000744403365 1271028349 /nfs/dbraw/zinc/02/83/49/1271028349.db2.gz YWODHLFOLOXMHW-SJLPKXTDSA-N 0 3 346.471 2.774 20 10 EFCDHN COc1cc(Br)cc(C[NH2+]CCN2CC[C@@H](C)C2)c1[O-] ZINC000744449958 1271050823 /nfs/dbraw/zinc/05/08/23/1271050823.db2.gz QYSQJGUVJYZDJE-LLVKDONJSA-N 0 3 343.265 2.595 20 10 EFCDHN C[NH+](C)CCOC1CCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000792167132 1278610109 /nfs/dbraw/zinc/61/01/09/1278610109.db2.gz AUQDFSCUUKAFDG-UHFFFAOYSA-N 0 3 330.831 2.727 20 10 EFCDHN C[C@H]1CC[C@H](C)N1CC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000746133571 1271808934 /nfs/dbraw/zinc/80/89/34/1271808934.db2.gz VTOGODCOXXCNGU-HOTGVXAUSA-N 0 3 347.528 2.729 20 10 EFCDHN CN1CCC[C@@H](C[N@H+](C)Cc2ccc(Br)cc2[O-])C1 ZINC000705213028 1273994695 /nfs/dbraw/zinc/99/46/95/1273994695.db2.gz RPHWTHQUMWLWKM-GFCCVEGCSA-N 0 3 327.266 2.928 20 10 EFCDHN CN1CCC[C@@H](C[N@@H+](C)Cc2ccc(Br)cc2[O-])C1 ZINC000705213028 1273994703 /nfs/dbraw/zinc/99/47/03/1273994703.db2.gz RPHWTHQUMWLWKM-GFCCVEGCSA-N 0 3 327.266 2.928 20 10 EFCDHN [O-]c1cccc(Br)c1CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000706853934 1275053780 /nfs/dbraw/zinc/05/37/80/1275053780.db2.gz NQHVVPIFFITQCG-VXGBXAGGSA-N 0 3 325.250 2.871 20 10 EFCDHN [O-]c1cccc(Br)c1CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000706853934 1275053788 /nfs/dbraw/zinc/05/37/88/1275053788.db2.gz NQHVVPIFFITQCG-VXGBXAGGSA-N 0 3 325.250 2.871 20 10 EFCDHN C[C@@H](CNCc1c([O-])cccc1Br)C[NH+]1CCCC1 ZINC000706874962 1275067023 /nfs/dbraw/zinc/06/70/23/1275067023.db2.gz DANAYIRZJVPUBD-LBPRGKRZSA-N 0 3 327.266 2.976 20 10 EFCDHN CC(C)OCC[C@@H](O)C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000788274458 1276124584 /nfs/dbraw/zinc/12/45/84/1276124584.db2.gz HODWHAUVXCLENQ-MSOLQXFVSA-N 0 3 337.460 2.549 20 10 EFCDHN CC(C)OCC[C@@H](O)C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000788274458 1276124588 /nfs/dbraw/zinc/12/45/88/1276124588.db2.gz HODWHAUVXCLENQ-MSOLQXFVSA-N 0 3 337.460 2.549 20 10 EFCDHN COc1ccc2ccc([O-])c(C[N@H+](C)[C@H](C)CN3CCOCC3)c2c1 ZINC000788376645 1276156450 /nfs/dbraw/zinc/15/64/50/1276156450.db2.gz ARRYXWJOLIFWBP-OAHLLOKOSA-N 0 3 344.455 2.707 20 10 EFCDHN COc1ccc2ccc([O-])c(C[N@@H+](C)[C@H](C)CN3CCOCC3)c2c1 ZINC000788376645 1276156453 /nfs/dbraw/zinc/15/64/53/1276156453.db2.gz ARRYXWJOLIFWBP-OAHLLOKOSA-N 0 3 344.455 2.707 20 10 EFCDHN C[C@@H]1C[C@H](C)N(Cc2cccc(Br)c2[O-])C[C@@H]1C[NH3+] ZINC000817865966 1276351582 /nfs/dbraw/zinc/35/15/82/1276351582.db2.gz QFIFCUJNBDUJDO-MDZLAQPJSA-N 0 3 327.266 2.960 20 10 EFCDHN C[C@@H]1C[C@@H](C)N(Cc2cccc(Br)c2[O-])C[C@H]1C[NH3+] ZINC000817865967 1276351864 /nfs/dbraw/zinc/35/18/64/1276351864.db2.gz QFIFCUJNBDUJDO-NQBHXWOUSA-N 0 3 327.266 2.960 20 10 EFCDHN CC[C@H](Nc1ccc(N2CC[NH2+]CC2)cn1)c1ccc(F)cc1[O-] ZINC000817951307 1276396744 /nfs/dbraw/zinc/39/67/44/1276396744.db2.gz CYRBSYXXMPOFJW-INIZCTEOSA-N 0 3 330.407 2.899 20 10 EFCDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+]C[C@@H]1CNCCO1 ZINC000817983063 1276420986 /nfs/dbraw/zinc/42/09/86/1276420986.db2.gz JTDQRJCTFJUWBA-PKOBYXMFSA-N 0 3 326.440 2.644 20 10 EFCDHN COc1ccc(N2CC[C@H](CNCc3ncc(Cl)n3C)C2)cc1 ZINC000818221512 1276493294 /nfs/dbraw/zinc/49/32/94/1276493294.db2.gz NMOPLRVQSJYAPA-CYBMUJFWSA-N 0 3 334.851 2.698 20 10 EFCDHN C[C@@](O)(CNCc1ccc(N2CCSCC2)cc1)C(F)(F)F ZINC000818963852 1276552344 /nfs/dbraw/zinc/55/23/44/1276552344.db2.gz CEMSSADIBHARJC-CQSZACIVSA-N 0 3 334.407 2.643 20 10 EFCDHN CSc1ccc([C@@H](CNC(=O)c2cccc(O)c2O)N(C)C)cc1 ZINC000819334579 1276733040 /nfs/dbraw/zinc/73/30/40/1276733040.db2.gz BILVDVCENSPDEH-OAHLLOKOSA-N 0 3 346.452 2.852 20 10 EFCDHN [O-]c1cc2c(cc1C[N@@H+]1CC3(CCC3)[C@H]1C1CCOCC1)[C@H](O)CO2 ZINC000819902063 1276941387 /nfs/dbraw/zinc/94/13/87/1276941387.db2.gz MQLRRISYBNGKQA-IEBWSBKVSA-N 0 3 345.439 2.599 20 10 EFCDHN [O-]c1cc2c(cc1C[N@H+]1CC3(CCC3)[C@H]1C1CCOCC1)[C@H](O)CO2 ZINC000819902063 1276941389 /nfs/dbraw/zinc/94/13/89/1276941389.db2.gz MQLRRISYBNGKQA-IEBWSBKVSA-N 0 3 345.439 2.599 20 10 EFCDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2cccc(O)c2O)C1 ZINC000790570247 1277653090 /nfs/dbraw/zinc/65/30/90/1277653090.db2.gz KQBKBHKCXPBOKG-UKRRQHHQSA-N 0 3 326.396 2.663 20 10 EFCDHN COc1cc(Br)cc(C[NH2+]C[C@H](OC)C2CC2)c1[O-] ZINC000815152958 1287331018 /nfs/dbraw/zinc/33/10/18/1287331018.db2.gz BWYFBUZAKYXDGG-ZDUSSCGKSA-N 0 3 330.222 2.678 20 10 EFCDHN CC(=O)Oc1ccc(C[N@@H+](C)Cc2ccccc2[O-])cc1OC(C)=O ZINC001144287646 1279390361 /nfs/dbraw/zinc/39/03/61/1279390361.db2.gz TTWXHTPUNZAYJC-UHFFFAOYSA-N 0 3 343.379 2.875 20 10 EFCDHN CC(=O)Oc1ccc(C[N@H+](C)Cc2ccccc2[O-])cc1OC(C)=O ZINC001144287646 1279390374 /nfs/dbraw/zinc/39/03/74/1279390374.db2.gz TTWXHTPUNZAYJC-UHFFFAOYSA-N 0 3 343.379 2.875 20 10 EFCDHN CC(=O)Oc1ccc(CN(C)Cc2ccccc2O)cc1OC(C)=O ZINC001144287646 1279390382 /nfs/dbraw/zinc/39/03/82/1279390382.db2.gz TTWXHTPUNZAYJC-UHFFFAOYSA-N 0 3 343.379 2.875 20 10 EFCDHN CCS(=O)(=O)c1ccc(CNCc2cccc(C)c2O)s1 ZINC000793207928 1279466783 /nfs/dbraw/zinc/46/67/83/1279466783.db2.gz UXOOTJYNQGPRTJ-UHFFFAOYSA-N 0 3 325.455 2.846 20 10 EFCDHN COc1ccc(C[NH2+]C2CCN(C(=O)CC(C)(C)C)CC2)c([O-])c1 ZINC000793387227 1279613765 /nfs/dbraw/zinc/61/37/65/1279613765.db2.gz AWXSALYORJZKOQ-UHFFFAOYSA-N 0 3 334.460 2.918 20 10 EFCDHN CCOC(=O)C(F)(F)[C@H]1CC[C@H]([NH2+]Cc2ccc(OC)cc2[O-])C1 ZINC000793388573 1279616845 /nfs/dbraw/zinc/61/68/45/1279616845.db2.gz PSJFSBFGKOJVLD-STQMWFEESA-N 0 3 343.370 2.858 20 10 EFCDHN Cc1cc([C@H](C)N[C@@H](C)c2ccc(N3CCOCC3)cc2)n(C)n1 ZINC000793524730 1279716659 /nfs/dbraw/zinc/71/66/59/1279716659.db2.gz HPKXVWWNEQWXAT-HOTGVXAUSA-N 0 3 328.460 2.977 20 10 EFCDHN Oc1cc(O)c(CN2CCN(c3ccccc3Cl)CC2)c(O)c1 ZINC001144514839 1279773835 /nfs/dbraw/zinc/77/38/35/1279773835.db2.gz UPPIUCWMWBAMHU-UHFFFAOYSA-N 0 3 334.803 2.779 20 10 EFCDHN COc1cccc([C@H](C)NCc2ccc(S(C)(=O)=O)s2)c1O ZINC000846163198 1280044063 /nfs/dbraw/zinc/04/40/63/1280044063.db2.gz GIFQYJBPLDFWCG-JTQLQIEISA-N 0 3 341.454 2.717 20 10 EFCDHN COc1cccc([C@@H](C)NCc2cccc(S(C)(=O)=O)c2)c1O ZINC000846167855 1280044909 /nfs/dbraw/zinc/04/49/09/1280044909.db2.gz FSTCOEXVWHMWDL-GFCCVEGCSA-N 0 3 335.425 2.655 20 10 EFCDHN C[C@@H]1C[C@@H]([NH2+]Cc2cc(=O)n3ccccc3n2)c2c1c(F)ccc2[O-] ZINC000846212711 1280084667 /nfs/dbraw/zinc/08/46/67/1280084667.db2.gz FNFBWBNXLLLFFW-BXUZGUMPSA-N 0 3 339.370 2.877 20 10 EFCDHN C[C@@H]1C[C@@H](NCc2cc(=O)n3ccccc3n2)c2c1c(F)ccc2O ZINC000846212711 1280084671 /nfs/dbraw/zinc/08/46/71/1280084671.db2.gz FNFBWBNXLLLFFW-BXUZGUMPSA-N 0 3 339.370 2.877 20 10 EFCDHN Cc1cnc(OC2CCN(Cc3ccc(N(C)C)cc3)CC2)nc1 ZINC000847028079 1280712539 /nfs/dbraw/zinc/71/25/39/1280712539.db2.gz QXTSBIFEDWYNAF-UHFFFAOYSA-N 0 3 326.444 2.894 20 10 EFCDHN CC[C@@H](C)N[C@@H](CNC(=O)NCc1ccccc1O)c1ccco1 ZINC000806645042 1281121476 /nfs/dbraw/zinc/12/14/76/1281121476.db2.gz RGVNURNGRCOZOE-HIFRSBDPSA-N 0 3 331.416 2.914 20 10 EFCDHN CNC(=O)[C@H](CCSC)[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000806663921 1281129564 /nfs/dbraw/zinc/12/95/64/1281129564.db2.gz XDVLBYFUGPXAKM-ZMLRMANQSA-N 0 3 326.437 2.537 20 10 EFCDHN CCOc1ccc(C[NH2+][C@@H]2CCC[C@H]3CN(C(C)=O)C[C@@H]32)c([O-])c1 ZINC000808448206 1281715537 /nfs/dbraw/zinc/71/55/37/1281715537.db2.gz ZLENQGJKIUOKGB-RYQLBKOJSA-N 0 3 332.444 2.528 20 10 EFCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCCN2CCC(O)CC2)c1[O-] ZINC000808679828 1281840210 /nfs/dbraw/zinc/84/02/10/1281840210.db2.gz BMGTWLUVEGHHDO-ZDUSSCGKSA-N 0 3 326.868 2.851 20 10 EFCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCS(=O)(=O)NC(C)(C)C)c1[O-] ZINC000808685541 1281844100 /nfs/dbraw/zinc/84/41/00/1281844100.db2.gz SWKJDEKFNALQKD-LLVKDONJSA-N 0 3 348.896 2.723 20 10 EFCDHN CCS(=O)(=O)N(C)CCC[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808676225 1281859597 /nfs/dbraw/zinc/85/95/97/1281859597.db2.gz HYYVCKSATDIGDP-GFCCVEGCSA-N 0 3 348.896 2.676 20 10 EFCDHN CCN(CCC[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-])S(C)(=O)=O ZINC000808678041 1281862390 /nfs/dbraw/zinc/86/23/90/1281862390.db2.gz IXRJBBNHJJBBNL-LBPRGKRZSA-N 0 3 348.896 2.676 20 10 EFCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H]2CC[C@@H](C(=O)N(C)C)O2)c1[O-] ZINC000808710307 1281868168 /nfs/dbraw/zinc/86/81/68/1281868168.db2.gz OYZNNMCEJBOHNS-LNSITVRQSA-N 0 3 340.851 2.640 20 10 EFCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H]2CCCCS2(=O)=O)c1[O-] ZINC000808713092 1281869257 /nfs/dbraw/zinc/86/92/57/1281869257.db2.gz KFQYQUOYWVMAKG-AAEUAGOBSA-N 0 3 331.865 2.972 20 10 EFCDHN COCCO[C@@H]1COCC[C@H]1[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808712763 1281869496 /nfs/dbraw/zinc/86/94/96/1281869496.db2.gz BFSUSTWERLVXMT-APHBMKBZSA-N 0 3 343.851 2.825 20 10 EFCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H]2CCCCS2(=O)=O)c1[O-] ZINC000808713096 1281869693 /nfs/dbraw/zinc/86/96/93/1281869693.db2.gz KFQYQUOYWVMAKG-YPMHNXCESA-N 0 3 331.865 2.972 20 10 EFCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H]2CCCS(=O)(=O)C2)c1[O-] ZINC000808719615 1281872592 /nfs/dbraw/zinc/87/25/92/1281872592.db2.gz WSROIBRBUVLDMG-VXGBXAGGSA-N 0 3 331.865 2.829 20 10 EFCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H]2CCCS(=O)(=O)C2)c1[O-] ZINC000808719614 1281872911 /nfs/dbraw/zinc/87/29/11/1281872911.db2.gz WSROIBRBUVLDMG-RYUDHWBXSA-N 0 3 331.865 2.829 20 10 EFCDHN COc1cncc(CN[C@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000808743506 1281892367 /nfs/dbraw/zinc/89/23/67/1281892367.db2.gz GSVWRGBGDQSCAK-OAHLLOKOSA-N 0 3 327.428 2.778 20 10 EFCDHN CN1CCN(c2ccc(CN3CCCC[C@H]3c3cc[nH]n3)cc2)CC1 ZINC000809692775 1282378844 /nfs/dbraw/zinc/37/88/44/1282378844.db2.gz GOXRJKAAXGFPPU-FQEVSTJZSA-N 0 3 339.487 2.889 20 10 EFCDHN CCN(Cc1ccc2c(c1)CCN2Cc1ccccc1)[C@@H]1CCNC1=O ZINC000809660455 1282389901 /nfs/dbraw/zinc/38/99/01/1282389901.db2.gz IKOQFBVXANTYBK-OAQYLSRUSA-N 0 3 349.478 2.960 20 10 EFCDHN Cc1cccc(CNCc2ccncc2OC[C@H]2CCOC2)c1O ZINC000809784768 1282482593 /nfs/dbraw/zinc/48/25/93/1282482593.db2.gz ZTQNSYFYFKSICJ-HNNXBMFYSA-N 0 3 328.412 2.801 20 10 EFCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000809791029 1282490245 /nfs/dbraw/zinc/49/02/45/1282490245.db2.gz RZSCRIXBCFHHHI-HXUWFJFHSA-N 0 3 345.414 2.967 20 10 EFCDHN COc1cccc([O-])c1C[N@H+]1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000809791029 1282490249 /nfs/dbraw/zinc/49/02/49/1282490249.db2.gz RZSCRIXBCFHHHI-HXUWFJFHSA-N 0 3 345.414 2.967 20 10 EFCDHN C[C@H]([NH2+]C[C@@H](O)CN1CCCC1)c1cccc(C(F)(F)F)c1[O-] ZINC000815563481 1287595996 /nfs/dbraw/zinc/59/59/96/1287595996.db2.gz DKDCZMIUJORZCX-NWDGAFQWSA-N 0 3 332.366 2.518 20 10 EFCDHN COC[C@]1(C[NH2+]Cc2c([O-])cccc2OC)OCCc2ccccc21 ZINC000810158121 1282987051 /nfs/dbraw/zinc/98/70/51/1282987051.db2.gz HXLRULOJFWSKDK-FQEVSTJZSA-N 0 3 343.423 2.605 20 10 EFCDHN CN1CC[C@@](O)(C[NH2+][C@@H](CCc2ccccc2)c2ccccc2[O-])C1 ZINC000815616176 1287639252 /nfs/dbraw/zinc/63/92/52/1287639252.db2.gz IBWPXXLXYWLCOX-PZJWPPBQSA-N 0 3 340.467 2.722 20 10 EFCDHN CN1CC=C(C[NH2+]Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000715812034 1284367226 /nfs/dbraw/zinc/36/72/26/1284367226.db2.gz IDISWUQJRYDNLV-UHFFFAOYSA-N 0 3 329.213 2.645 20 10 EFCDHN COc1cccc(CN2CCCC[C@H]2COC(=O)NC2CC2)c1O ZINC000811511593 1284390513 /nfs/dbraw/zinc/39/05/13/1284390513.db2.gz OEJPIILYTWCCPF-HNNXBMFYSA-N 0 3 334.416 2.644 20 10 EFCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H](C)CC2(C)OCCO2)c1[O-] ZINC000716013121 1284448946 /nfs/dbraw/zinc/44/89/46/1284448946.db2.gz DTLAVSXIFOIQHZ-NSHDSACASA-N 0 3 329.824 2.933 20 10 EFCDHN O=C1C[C@H](NCc2ccc3c(c2)CCO3)CN1c1ccccc1F ZINC000812783016 1285417290 /nfs/dbraw/zinc/41/72/90/1285417290.db2.gz URSOBAHCGVFRJI-HNNXBMFYSA-N 0 3 326.371 2.656 20 10 EFCDHN COc1ccc(-n2c(C)cc(C(=O)OCC(C)[N+](=O)[O-])c2C)cc1 ZINC000813101826 1285651477 /nfs/dbraw/zinc/65/14/77/1285651477.db2.gz JKMHGEWKYWVFQH-GFCCVEGCSA-N 0 3 332.356 2.925 20 10 EFCDHN O=C(c1ccccc1)N1CCC[C@H]([NH2+]Cc2cccc(O)c2[O-])CC1 ZINC001171876450 1285837022 /nfs/dbraw/zinc/83/70/22/1285837022.db2.gz BPUUGNYTRMYYIG-KRWDZBQOSA-N 0 3 340.423 2.882 20 10 EFCDHN Cc1ccc(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)c(O)c1O ZINC000813828389 1286130824 /nfs/dbraw/zinc/13/08/24/1286130824.db2.gz RXUFBBGACBDZFN-RHSMWYFYSA-N 0 3 340.423 2.799 20 10 EFCDHN O=C1C[C@H]([N@H+]2CCc3cccc([O-])c3C2)CCN1Cc1ccccc1 ZINC001172682268 1286229509 /nfs/dbraw/zinc/22/95/09/1286229509.db2.gz PFZVXRWHJVVDGJ-GOSISDBHSA-N 0 3 336.435 2.942 20 10 EFCDHN O=C1C[C@H]([N@@H+]2CCc3cccc([O-])c3C2)CCN1Cc1ccccc1 ZINC001172682268 1286229516 /nfs/dbraw/zinc/22/95/16/1286229516.db2.gz PFZVXRWHJVVDGJ-GOSISDBHSA-N 0 3 336.435 2.942 20 10 EFCDHN COC(=O)[C@]1(c2ccccc2)CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000814170758 1286373637 /nfs/dbraw/zinc/37/36/37/1286373637.db2.gz BNSQTMXJLWLMHN-LJQANCHMSA-N 0 3 329.371 2.848 20 10 EFCDHN COC(=O)[C@]1(c2ccccc2)CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000814170758 1286373646 /nfs/dbraw/zinc/37/36/46/1286373646.db2.gz BNSQTMXJLWLMHN-LJQANCHMSA-N 0 3 329.371 2.848 20 10 EFCDHN CC(C)[C@@H](C[NH2+]Cc1ccc2ccccc2c1[O-])N1CCN(C)CC1 ZINC000816534274 1288193259 /nfs/dbraw/zinc/19/32/59/1288193259.db2.gz CSWXMPWFSFUTGH-HXUWFJFHSA-N 0 3 341.499 2.907 20 10 EFCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+][C@H]1CCc2nnnn2CC1 ZINC000817418905 1288594183 /nfs/dbraw/zinc/59/41/83/1288594183.db2.gz KOFRFVNRZQXJBL-KRWDZBQOSA-N 0 3 335.411 2.540 20 10 EFCDHN CCN(CC)c1ccc(CN2CCC3(CNC(=O)N3C)CC2)cc1F ZINC000822529762 1289011300 /nfs/dbraw/zinc/01/13/00/1289011300.db2.gz ITPQMJAGXNIALN-UHFFFAOYSA-N 0 3 348.466 2.662 20 10 EFCDHN COC(=O)c1c(CN2CCC[C@]3(CCOC3)C2)c2ccccc2n1C ZINC001232402819 1312693799 /nfs/dbraw/zinc/69/37/99/1312693799.db2.gz QGJNLAYSKFZTBK-FQEVSTJZSA-N 0 3 342.439 2.967 20 10 EFCDHN COc1ccc(N2CC[C@H](CNC(=O)[C@@H]3CCCN3C(C)C)C2)cc1 ZINC000823201776 1289241105 /nfs/dbraw/zinc/24/11/05/1289241105.db2.gz JPRJGFTWDCPPRL-APWZRJJASA-N 0 3 345.487 2.511 20 10 EFCDHN COC[C@@H]1CCCCN1Cc1c2ccccc2n(C)c1C(=O)OC ZINC001232402418 1312693966 /nfs/dbraw/zinc/69/39/66/1312693966.db2.gz MNXOJCJIHFCJRH-AWEZNQCLSA-N 0 3 330.428 2.966 20 10 EFCDHN COC(=O)c1c(CN2CCC[C@@H](C)[C@@H]2CO)c2ccccc2n1C ZINC001232401893 1312694276 /nfs/dbraw/zinc/69/42/76/1312694276.db2.gz FWNIYBXDGVOKPM-DYVFJYSZSA-N 0 3 330.428 2.558 20 10 EFCDHN CCN(CCn1ccnc1)Cc1c2ccccc2n(C)c1C(=O)OC ZINC001232404193 1312695220 /nfs/dbraw/zinc/69/52/20/1312695220.db2.gz OEBAHUVJPAEVCO-UHFFFAOYSA-N 0 3 340.427 2.684 20 10 EFCDHN C[C@@H](NC[C@H](c1ccc(N(C)C)cc1)N(C)C)c1cc2n(n1)CCC2 ZINC000903449204 1312695953 /nfs/dbraw/zinc/69/59/53/1312695953.db2.gz WQJOCYIIENQOST-FOIQADDNSA-N 0 3 341.503 2.849 20 10 EFCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@H](Oc3ccc(F)cc3)C1)[C@H](O)CO2 ZINC000872802261 1289389807 /nfs/dbraw/zinc/38/98/07/1289389807.db2.gz MJCCYRJSJPXZAW-MAUKXSAKSA-N 0 3 345.370 2.610 20 10 EFCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@H](Oc3ccc(F)cc3)C1)[C@H](O)CO2 ZINC000872802261 1289389815 /nfs/dbraw/zinc/38/98/15/1289389815.db2.gz MJCCYRJSJPXZAW-MAUKXSAKSA-N 0 3 345.370 2.610 20 10 EFCDHN CCCOc1ccc(CNC[C@@H]2CCCCS2(=O)=O)cc1C ZINC000873105270 1289571050 /nfs/dbraw/zinc/57/10/50/1289571050.db2.gz YFSXWIXLMMUXIV-INIZCTEOSA-N 0 3 325.474 2.841 20 10 EFCDHN CCOc1ccc(C[NH2+][C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c([O-])c1 ZINC000824490146 1289667840 /nfs/dbraw/zinc/66/78/40/1289667840.db2.gz XTWBPIVGAMRYKI-QLPKVWCKSA-N 0 3 348.443 2.746 20 10 EFCDHN COc1cc(CN2CCCN(C(C)=O)CC2)c(O)c(C(C)(C)C)c1 ZINC000824542540 1289710564 /nfs/dbraw/zinc/71/05/64/1289710564.db2.gz WQAVSYOUMWBUCG-UHFFFAOYSA-N 0 3 334.460 2.753 20 10 EFCDHN CCOc1ccc(C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c([O-])c1 ZINC000824615510 1289729221 /nfs/dbraw/zinc/72/92/21/1289729221.db2.gz HJCRGFOXKOEQSE-GOEBONIOSA-N 0 3 340.423 2.572 20 10 EFCDHN CCOc1ccc(C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c([O-])c1 ZINC000824615510 1289729230 /nfs/dbraw/zinc/72/92/30/1289729230.db2.gz HJCRGFOXKOEQSE-GOEBONIOSA-N 0 3 340.423 2.572 20 10 EFCDHN [O-]c1cccc2c1[C@@H]([NH2+][C@@H]1CCc3ncc(Br)n3C1)CC2 ZINC000903481115 1312747432 /nfs/dbraw/zinc/74/74/32/1312747432.db2.gz VICSSEFVHMATIS-NEPJUHHUSA-N 0 3 348.244 2.943 20 10 EFCDHN C[NH+](C)[C@H]1C[C@@H](C(=O)NCc2cc(Cl)c3cccnc3c2[O-])C1 ZINC001183373834 1290341594 /nfs/dbraw/zinc/34/15/94/1290341594.db2.gz JUAGMVJXBXNPFP-KLPPZKSPSA-N 0 3 333.819 2.550 20 10 EFCDHN CN(C)c1ccc(CN2CC(CN(C)C(=O)OC(C)(C)C)C2)c(O)c1 ZINC001232835408 1312791315 /nfs/dbraw/zinc/79/13/15/1312791315.db2.gz BYLCHQTZRFDNMD-UHFFFAOYSA-N 0 3 349.475 2.757 20 10 EFCDHN CN(C)c1ccc(CN2CCN(c3ccc(Cl)cn3)CC2)c(O)c1 ZINC001232840097 1312792358 /nfs/dbraw/zinc/79/23/58/1312792358.db2.gz MVWKELJKGLQBPL-UHFFFAOYSA-N 0 3 346.862 2.829 20 10 EFCDHN CN(C)c1ccc(CN2CC3(CN(Cc4ccccc4)C3)C2)c(O)c1 ZINC001232838733 1312792576 /nfs/dbraw/zinc/79/25/76/1312792576.db2.gz CSIPKUGBAIYUNL-UHFFFAOYSA-N 0 3 337.467 2.776 20 10 EFCDHN CC(C)CC[C@H](N)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000876872797 1291054102 /nfs/dbraw/zinc/05/41/02/1291054102.db2.gz NFAPGCXLOLPYRL-IRXDYDNUSA-N 0 3 334.460 2.663 20 10 EFCDHN C[C@](CO)(NCc1ccc(N2CCC(O)CC2)cc1)c1ccccc1 ZINC000877037928 1291112845 /nfs/dbraw/zinc/11/28/45/1291112845.db2.gz ZIEJDLQJJXPPMH-OAQYLSRUSA-N 0 3 340.467 2.645 20 10 EFCDHN COc1ccccc1[C@@H](O)CN(Cc1cc(O)c(O)c(O)c1)C(C)C ZINC001233016813 1312832961 /nfs/dbraw/zinc/83/29/61/1312832961.db2.gz PGZGCXCVEGHRIH-KRWDZBQOSA-N 0 3 347.411 2.756 20 10 EFCDHN Cc1cccc([O-])c1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877637355 1291301144 /nfs/dbraw/zinc/30/11/44/1291301144.db2.gz SFIGFVYQQNUHLV-UHFFFAOYSA-N 0 3 326.440 2.952 20 10 EFCDHN C[C@@H](NCc1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccccc1O ZINC000877756479 1291362034 /nfs/dbraw/zinc/36/20/34/1291362034.db2.gz KXVVXAUACGMLSM-LLVKDONJSA-N 0 3 330.340 2.922 20 10 EFCDHN OC[C@@H]1CSCCN1Cc1ccc(OCc2ccccc2)cc1O ZINC000877779883 1291374651 /nfs/dbraw/zinc/37/46/51/1291374651.db2.gz HBBMASZOUPSJRN-QGZVFWFLSA-N 0 3 345.464 2.881 20 10 EFCDHN COc1ccc(OC)c([C@H](O)[C@@H](C)[NH2+]Cc2cc(F)ccc2[O-])c1 ZINC000877831915 1291400524 /nfs/dbraw/zinc/40/05/24/1291400524.db2.gz BYTONHFDNBRWIY-ADLMAVQZSA-N 0 3 335.375 2.760 20 10 EFCDHN Cc1cc(Br)cc(CN2C[C@H]3OC[C@@H](C)[C@H]3C2)c1O ZINC001233109574 1312856013 /nfs/dbraw/zinc/85/60/13/1312856013.db2.gz CGLBCWXPKCERQY-LERXQTSPSA-N 0 3 326.234 2.930 20 10 EFCDHN COc1cc([O-])c(CN2CCC[C@H]2C[NH+](C)C)cc1Br ZINC001233140280 1312865468 /nfs/dbraw/zinc/86/54/68/1312865468.db2.gz CISAXENDKKCJNW-LBPRGKRZSA-N 0 3 343.265 2.689 20 10 EFCDHN COC(=O)c1cccc(CNCc2ccc(N3CCOCC3)cc2)c1 ZINC000795901098 1291633024 /nfs/dbraw/zinc/63/30/24/1291633024.db2.gz FARZFCFAFOLFLA-UHFFFAOYSA-N 0 3 340.423 2.600 20 10 EFCDHN O=C(Nc1nccs1)NC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC001189406272 1291713274 /nfs/dbraw/zinc/71/32/74/1291713274.db2.gz BJQNTHFYVWBBPB-UHFFFAOYSA-N 0 3 332.429 2.635 20 10 EFCDHN NC(=O)[C@@H]1CCC[N@@H+]1Cc1c([O-])ccc2cc(Br)ccc21 ZINC001233194095 1312877060 /nfs/dbraw/zinc/87/70/60/1312877060.db2.gz LYOWBBIHFJLEBE-AWEZNQCLSA-N 0 3 349.228 2.758 20 10 EFCDHN NC(=O)[C@@H]1CCC[N@H+]1Cc1c([O-])ccc2cc(Br)ccc21 ZINC001233194095 1312877064 /nfs/dbraw/zinc/87/70/64/1312877064.db2.gz LYOWBBIHFJLEBE-AWEZNQCLSA-N 0 3 349.228 2.758 20 10 EFCDHN CCOC(=O)c1c(CN2CCC[C@@H](CO)CC2)c2ccccc2n1C ZINC001233270717 1312889852 /nfs/dbraw/zinc/88/98/52/1312889852.db2.gz XQHMSSNLRAYLQG-OAHLLOKOSA-N 0 3 344.455 2.949 20 10 EFCDHN CCOC(=O)c1c(CN2CCC[C@@H](O)CC2)c2ccccc2n1C ZINC001233270389 1312889890 /nfs/dbraw/zinc/88/98/90/1312889890.db2.gz LZYRVCLKLDKCBR-CQSZACIVSA-N 0 3 330.428 2.702 20 10 EFCDHN CCOC(=O)c1c(CN2CCCC3(COC3)C2)c2ccccc2n1C ZINC001233271415 1312890117 /nfs/dbraw/zinc/89/01/17/1312890117.db2.gz YPOXXWSDSGYOMA-UHFFFAOYSA-N 0 3 342.439 2.967 20 10 EFCDHN CCOC(=O)c1c(CN2C[C@@H](CO)CC[C@H]2C)c2ccccc2n1C ZINC001233270403 1312890487 /nfs/dbraw/zinc/89/04/87/1312890487.db2.gz MOUZPESULBVATD-CABCVRRESA-N 0 3 344.455 2.948 20 10 EFCDHN CCOC(=O)c1c(CN2CCC[C@](C)(O)C2)c2ccccc2n1C ZINC001233272433 1312890690 /nfs/dbraw/zinc/89/06/90/1312890690.db2.gz LERUSHCAAVFYAS-IBGZPJMESA-N 0 3 330.428 2.702 20 10 EFCDHN CCOC(=O)c1c(CN2CCC[C@@H](CCO)C2)c2ccccc2n1C ZINC001233272502 1312891368 /nfs/dbraw/zinc/89/13/68/1312891368.db2.gz NNRPBAGMJQNQSA-HNNXBMFYSA-N 0 3 344.455 2.949 20 10 EFCDHN CC(C)(C)c1ccc(O)c(CN2CCN(C[C@H]3CCCO3)CC2)c1 ZINC001233286392 1312895092 /nfs/dbraw/zinc/89/50/92/1312895092.db2.gz RWXZAVZGFOUGMY-GOSISDBHSA-N 0 3 332.488 2.986 20 10 EFCDHN COc1cc(Cl)cc(CN2CCC3(CCC(=O)N3C)CC2)c1O ZINC001233290897 1312895963 /nfs/dbraw/zinc/89/59/63/1312895963.db2.gz CBYZSDLEWTYEQW-UHFFFAOYSA-N 0 3 338.835 2.641 20 10 EFCDHN COc1cc(Cl)cc(C[NH+]2CCC3(CCC(=O)N3C)CC2)c1[O-] ZINC001233290897 1312895967 /nfs/dbraw/zinc/89/59/67/1312895967.db2.gz CBYZSDLEWTYEQW-UHFFFAOYSA-N 0 3 338.835 2.641 20 10 EFCDHN COc1cc(Cl)cc(CN2CCC(C(C)(C)C(N)=O)CC2)c1O ZINC001233290272 1312896478 /nfs/dbraw/zinc/89/64/78/1312896478.db2.gz TVVOXBGUYTXIIQ-UHFFFAOYSA-N 0 3 340.851 2.778 20 10 EFCDHN COc1cc(Cl)cc(C[NH+]2CCC(C(C)(C)C(N)=O)CC2)c1[O-] ZINC001233290272 1312896480 /nfs/dbraw/zinc/89/64/80/1312896480.db2.gz TVVOXBGUYTXIIQ-UHFFFAOYSA-N 0 3 340.851 2.778 20 10 EFCDHN COc1ccc(O)c([C@@H](C)NCC(=O)Nc2c(F)cccc2F)c1 ZINC000775370516 1292085876 /nfs/dbraw/zinc/08/58/76/1292085876.db2.gz OIYYCAGGFVXZRN-SNVBAGLBSA-N 0 3 336.338 2.968 20 10 EFCDHN COc1ccccc1S(=O)(=O)CCC[NH2+][C@H](C)c1ccccc1[O-] ZINC000879649008 1292217986 /nfs/dbraw/zinc/21/79/86/1292217986.db2.gz HBWSOLGZPYWFQX-CQSZACIVSA-N 0 3 349.452 2.915 20 10 EFCDHN C[C@@H]([NH2+]CC(=O)NCCc1c(F)cccc1F)c1ccccc1[O-] ZINC000879648697 1292218106 /nfs/dbraw/zinc/21/81/06/1292218106.db2.gz ZOXOPTHDVUHBNY-GFCCVEGCSA-N 0 3 334.366 2.680 20 10 EFCDHN C[C@@H]([NH2+][C@H](C)c1ccccc1[O-])C(=O)NCCc1ccc(F)cc1 ZINC000879648997 1292218283 /nfs/dbraw/zinc/21/82/83/1292218283.db2.gz ISVWMLQQRIFGLY-ZIAGYGMSSA-N 0 3 330.403 2.929 20 10 EFCDHN C[C@@H]([NH2+]CC(=O)NCCOc1cccc(Cl)c1)c1ccccc1[O-] ZINC000879648628 1292218490 /nfs/dbraw/zinc/21/84/90/1292218490.db2.gz WUQTYPVYDBRXCN-CYBMUJFWSA-N 0 3 348.830 2.891 20 10 EFCDHN C[C@@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccccc1[O-] ZINC000879648339 1292218511 /nfs/dbraw/zinc/21/85/11/1292218511.db2.gz KKLJUZBXNNIIIL-MLGOLLRUSA-N 0 3 341.367 2.757 20 10 EFCDHN C[C@@H](NCC(=O)Nc1nnc(C(C)(C)C)s1)c1ccccc1O ZINC000879649375 1292218849 /nfs/dbraw/zinc/21/88/49/1292218849.db2.gz PDWDJYFYITZHAQ-SNVBAGLBSA-N 0 3 334.445 2.831 20 10 EFCDHN C[C@@H]([NH2+]CC(=O)Nc1nnc(C(C)(C)C)s1)c1ccccc1[O-] ZINC000879649375 1292218856 /nfs/dbraw/zinc/21/88/56/1292218856.db2.gz PDWDJYFYITZHAQ-SNVBAGLBSA-N 0 3 334.445 2.831 20 10 EFCDHN COc1ccccc1[C@H](C)NC(=O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000879647993 1292218870 /nfs/dbraw/zinc/21/88/70/1292218870.db2.gz VCXPMPLILLQJJI-KGLIPLIRSA-N 0 3 328.412 2.929 20 10 EFCDHN C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc2c(c1)OCO2)c1ccccc1[O-] ZINC000879648942 1292219042 /nfs/dbraw/zinc/21/90/42/1292219042.db2.gz HDOMDTPQKGICIL-NEPJUHHUSA-N 0 3 328.368 2.799 20 10 EFCDHN COc1ccc(COC[C@@H](O)C[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000879650070 1292219422 /nfs/dbraw/zinc/21/94/22/1292219422.db2.gz ZSSXMAORZXJCPK-ZBFHGGJFSA-N 0 3 331.412 2.629 20 10 EFCDHN COc1cccc(O[C@H]2CCCN(Cc3cc(O)c(O)cc3O)C2)c1 ZINC001233484915 1312939658 /nfs/dbraw/zinc/93/96/58/1312939658.db2.gz CFDBJAILHAKTHI-INIZCTEOSA-N 0 3 345.395 2.855 20 10 EFCDHN Oc1cc(O)c(CN2CCC[C@@H](OCc3ccccc3)C2)cc1O ZINC001233486226 1312940786 /nfs/dbraw/zinc/94/07/86/1312940786.db2.gz DMPFOQHOURMGPZ-MRXNPFEDSA-N 0 3 329.396 2.985 20 10 EFCDHN Oc1cc(O)c(CN2CCC3(Cc4ccccc4O3)CC2)cc1O ZINC001233486685 1312940857 /nfs/dbraw/zinc/94/08/57/1312940857.db2.gz XYKDYCCZANPMRL-UHFFFAOYSA-N 0 3 327.380 2.773 20 10 EFCDHN O=C(CNCc1ccc2c(c1)CCN2Cc1ccccc1)NC1CC1 ZINC000796263681 1292663599 /nfs/dbraw/zinc/66/35/99/1292663599.db2.gz CLVBLRUXWCKFOU-UHFFFAOYSA-N 0 3 335.451 2.618 20 10 EFCDHN COc1ccc(C(=O)NC2CC[NH+](Cc3ccccc3[O-])CC2)cc1 ZINC001203555977 1312955209 /nfs/dbraw/zinc/95/52/09/1312955209.db2.gz LMFXYHKTPNAENU-UHFFFAOYSA-N 0 3 340.423 2.795 20 10 EFCDHN CC[C@H]([NH2+]C[C@H](C)N1CCN(C)CC1)c1cc(Cl)ccc1[O-] ZINC000775502207 1292788892 /nfs/dbraw/zinc/78/88/92/1292788892.db2.gz QHRILCPMGPSQSA-BBRMVZONSA-N 0 3 325.884 2.722 20 10 EFCDHN Cc1cc(C(=O)Cn2cc([C@@H](C)N)nn2)c(C)n1-c1ccccc1C ZINC000881228032 1292792365 /nfs/dbraw/zinc/79/23/65/1292792365.db2.gz MSSRGXVFNWGAOK-CQSZACIVSA-N 0 3 337.427 2.897 20 10 EFCDHN CC[C@H]1[N@H+](Cc2ccccc2[O-])CCC[C@]12CCC(=O)N2CCOC ZINC001203552765 1312954241 /nfs/dbraw/zinc/95/42/41/1312954241.db2.gz SKMUIPLSAQPNAP-QUCCMNQESA-N 0 3 346.471 2.774 20 10 EFCDHN CC[C@H]1[N@@H+](Cc2ccccc2[O-])CCC[C@]12CCC(=O)N2CCOC ZINC001203552765 1312954244 /nfs/dbraw/zinc/95/42/44/1312954244.db2.gz SKMUIPLSAQPNAP-QUCCMNQESA-N 0 3 346.471 2.774 20 10 EFCDHN O=C1[C@H]2C[N@H+](Cc3ccccc3[O-])C[C@H]2CN1Cc1cccc(F)c1 ZINC001203551819 1312954590 /nfs/dbraw/zinc/95/45/90/1312954590.db2.gz PBPWWKJDVRYMIS-WMZOPIPTSA-N 0 3 340.398 2.622 20 10 EFCDHN O=C1[C@H]2C[N@@H+](Cc3ccccc3[O-])C[C@H]2CN1Cc1cccc(F)c1 ZINC001203551819 1312954593 /nfs/dbraw/zinc/95/45/93/1312954593.db2.gz PBPWWKJDVRYMIS-WMZOPIPTSA-N 0 3 340.398 2.622 20 10 EFCDHN [O-]c1ccccc1C[N@@H+]1CC[C@]2(C[C@H](Oc3ncccc3F)CO2)C1 ZINC001203556325 1312955749 /nfs/dbraw/zinc/95/57/49/1312955749.db2.gz MQUSBUCIZKWMKT-KXBFYZLASA-N 0 3 344.386 2.739 20 10 EFCDHN [O-]c1ccccc1C[N@H+]1CC[C@]2(C[C@H](Oc3ncccc3F)CO2)C1 ZINC001203556325 1312955751 /nfs/dbraw/zinc/95/57/51/1312955751.db2.gz MQUSBUCIZKWMKT-KXBFYZLASA-N 0 3 344.386 2.739 20 10 EFCDHN CCOC(=O)c1ccc(N2CCN(Cc3ccccc3O)CC2)cc1 ZINC001203558480 1312955969 /nfs/dbraw/zinc/95/59/69/1312955969.db2.gz IYPASBRNJAOTRS-UHFFFAOYSA-N 0 3 340.423 2.891 20 10 EFCDHN CCOC(=O)c1ccc(N2CC[NH+](Cc3ccccc3[O-])CC2)cc1 ZINC001203558480 1312955973 /nfs/dbraw/zinc/95/59/73/1312955973.db2.gz IYPASBRNJAOTRS-UHFFFAOYSA-N 0 3 340.423 2.891 20 10 EFCDHN COC1CCN(c2ccc(Cn3cc([C@H](N)C(C)C)nn3)cc2)CC1 ZINC000881379861 1292866472 /nfs/dbraw/zinc/86/64/72/1292866472.db2.gz AWPYNCXTVFXHSH-LJQANCHMSA-N 0 3 343.475 2.597 20 10 EFCDHN CCOc1cccc(CN2CCC(Oc3ncccn3)CC2)c1O ZINC001203609489 1312970564 /nfs/dbraw/zinc/97/05/64/1312970564.db2.gz VJXNHWJZBMBVKT-UHFFFAOYSA-N 0 3 329.400 2.624 20 10 EFCDHN CCOc1cccc(CN2CCC[C@@H](NC(=O)N3CCCC3)C2)c1O ZINC001203617703 1312972211 /nfs/dbraw/zinc/97/22/11/1312972211.db2.gz VGNWAFLHDAOKBQ-MRXNPFEDSA-N 0 3 347.459 2.561 20 10 EFCDHN CCOc1cccc(CN2CC[C@H](Oc3ncccc3OC)C2)c1O ZINC001203616939 1312972227 /nfs/dbraw/zinc/97/22/27/1312972227.db2.gz BGVMZDHOLREZEX-HNNXBMFYSA-N 0 3 344.411 2.848 20 10 EFCDHN COc1ccc(C[N@@H+]2CC[C@]3(CCN3C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001203622240 1312972889 /nfs/dbraw/zinc/97/28/89/1312972889.db2.gz VGHOETJBNHCYJY-IBGZPJMESA-N 0 3 348.443 2.986 20 10 EFCDHN COc1ccc(C[N@H+]2CC[C@]3(CCN3C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001203622240 1312972893 /nfs/dbraw/zinc/97/28/93/1312972893.db2.gz VGHOETJBNHCYJY-IBGZPJMESA-N 0 3 348.443 2.986 20 10 EFCDHN COc1ccc(CN2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)c(O)c1 ZINC001203621322 1312973085 /nfs/dbraw/zinc/97/30/85/1312973085.db2.gz ABEKRFIQKXCGPV-HIFRSBDPSA-N 0 3 348.443 2.842 20 10 EFCDHN COc1ccc(C[N@@H+]2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c([O-])c1 ZINC001203622165 1312973328 /nfs/dbraw/zinc/97/33/28/1312973328.db2.gz RGANGEMRYGIXJD-XJKSGUPXSA-N 0 3 348.443 2.842 20 10 EFCDHN COc1ccc(C[N@H+]2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c([O-])c1 ZINC001203622165 1312973331 /nfs/dbraw/zinc/97/33/31/1312973331.db2.gz RGANGEMRYGIXJD-XJKSGUPXSA-N 0 3 348.443 2.842 20 10 EFCDHN COC(=O)c1ccc2c(c1)CCN(Cc1ccc(OC)cc1O)C2 ZINC001203620605 1312973544 /nfs/dbraw/zinc/97/35/44/1312973544.db2.gz GBGXJVKGFQHWJV-UHFFFAOYSA-N 0 3 327.380 2.746 20 10 EFCDHN COc1ccc(C[NH+]2CCC3(CCCN3C(=O)N(C)C)CC2)c([O-])c1 ZINC001203622778 1312973951 /nfs/dbraw/zinc/97/39/51/1312973951.db2.gz BOTPJVLZHOYJQI-UHFFFAOYSA-N 0 3 347.459 2.513 20 10 EFCDHN COCC[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1ccc(OC)cc1[O-])C2 ZINC001203623622 1312974684 /nfs/dbraw/zinc/97/46/84/1312974684.db2.gz VJCORIAGXRQZLK-BEFAXECRSA-N 0 3 335.444 2.808 20 10 EFCDHN COCC[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1ccc(OC)cc1[O-])C2 ZINC001203623622 1312974688 /nfs/dbraw/zinc/97/46/88/1312974688.db2.gz VJCORIAGXRQZLK-BEFAXECRSA-N 0 3 335.444 2.808 20 10 EFCDHN COc1ccc(CN2CCC([C@@](C)(O)C(F)(F)F)CC2)c(O)c1 ZINC001203628879 1312975383 /nfs/dbraw/zinc/97/53/83/1312975383.db2.gz JCPLHKSIQRGNEK-OAHLLOKOSA-N 0 3 333.350 2.926 20 10 EFCDHN COc1ccc(C[N@@H+]2CC[C@]3(C[C@@H](OCC4CC4)CO3)C2)c([O-])c1 ZINC001203629976 1312975937 /nfs/dbraw/zinc/97/59/37/1312975937.db2.gz PMDBLWBOKBUKRZ-MJGOQNOKSA-N 0 3 333.428 2.561 20 10 EFCDHN COc1ccc(C[N@H+]2CC[C@]3(C[C@@H](OCC4CC4)CO3)C2)c([O-])c1 ZINC001203629976 1312975940 /nfs/dbraw/zinc/97/59/40/1312975940.db2.gz PMDBLWBOKBUKRZ-MJGOQNOKSA-N 0 3 333.428 2.561 20 10 EFCDHN COc1ccc(C[NH+]2CCC(Oc3nccc(C)n3)CC2)c([O-])c1 ZINC001203634901 1312977231 /nfs/dbraw/zinc/97/72/31/1312977231.db2.gz AOYXYQJZQWCUMS-UHFFFAOYSA-N 0 3 329.400 2.543 20 10 EFCDHN COc1ccc(CN2CCC(Oc3nccc(C)n3)CC2)c(O)c1 ZINC001203634901 1312977233 /nfs/dbraw/zinc/97/72/33/1312977233.db2.gz AOYXYQJZQWCUMS-UHFFFAOYSA-N 0 3 329.400 2.543 20 10 EFCDHN COC(=O)c1ccc(C2C[NH+](Cc3ccc(OC)cc3[O-])C2)cc1 ZINC001203634820 1312977405 /nfs/dbraw/zinc/97/74/05/1312977405.db2.gz WVVWBYCDFURLOX-UHFFFAOYSA-N 0 3 327.380 2.787 20 10 EFCDHN COC(=O)[C@@H]1C[N@H+](Cc2ccc(OC)cc2[O-])C[C@H]1c1ccccc1 ZINC001203635321 1312977422 /nfs/dbraw/zinc/97/74/22/1312977422.db2.gz PNRGSYKGHQDATC-ZWKOTPCHSA-N 0 3 341.407 2.789 20 10 EFCDHN COC(=O)[C@@H]1C[N@@H+](Cc2ccc(OC)cc2[O-])C[C@H]1c1ccccc1 ZINC001203635321 1312977425 /nfs/dbraw/zinc/97/74/25/1312977425.db2.gz PNRGSYKGHQDATC-ZWKOTPCHSA-N 0 3 341.407 2.789 20 10 EFCDHN OC[C@H]1CN(Cc2cccc(OC(F)(F)F)c2O)CCC1(F)F ZINC001233727646 1312978828 /nfs/dbraw/zinc/97/88/28/1312978828.db2.gz NUFQYZFKFDUVSG-SNVBAGLBSA-N 0 3 341.276 2.740 20 10 EFCDHN C[N@H+](C1CC1)[C@H]1CCN(Cc2cc(Br)ccc2[O-])C1 ZINC001203650375 1312980165 /nfs/dbraw/zinc/98/01/65/1312980165.db2.gz QLFAQUSLKTZVKT-AWEZNQCLSA-N 0 3 325.250 2.823 20 10 EFCDHN C[N@@H+](C1CC1)[C@H]1CCN(Cc2cc(Br)ccc2[O-])C1 ZINC001203650375 1312980167 /nfs/dbraw/zinc/98/01/67/1312980167.db2.gz QLFAQUSLKTZVKT-AWEZNQCLSA-N 0 3 325.250 2.823 20 10 EFCDHN CC[NH+]1C[C@@H]2CN(Cc3cc(Br)ccc3[O-])C[C@H]2C1 ZINC001203648732 1312980203 /nfs/dbraw/zinc/98/02/03/1312980203.db2.gz RLSRBXSSDUAVGQ-CHWSQXEVSA-N 0 3 325.250 2.538 20 10 EFCDHN CCC[NH+]1C[C@H]2CN(Cc3cc(Br)ccc3[O-])C[C@@H]2C1 ZINC001203650617 1312980920 /nfs/dbraw/zinc/98/09/20/1312980920.db2.gz YAWTTYCXORBDHO-KBPBESRZSA-N 0 3 339.277 2.928 20 10 EFCDHN COC(=O)C1CCN(Cc2cccc(OC(F)(F)F)c2O)CC1 ZINC001233736436 1312981726 /nfs/dbraw/zinc/98/17/26/1312981726.db2.gz KXMGTVMNJBHWQV-UHFFFAOYSA-N 0 3 333.306 2.676 20 10 EFCDHN CN(C)c1ccc(-c2nc(C(=O)N3CC(C)(N(C)C)C3)cs2)cc1 ZINC001193168803 1293192864 /nfs/dbraw/zinc/19/28/64/1293192864.db2.gz KWXJCUKZSOBDNS-UHFFFAOYSA-N 0 3 344.484 2.652 20 10 EFCDHN COC(=O)C[C@@H]1CCC[N@@H+]1Cc1cccc(OC(F)(F)F)c1[O-] ZINC001233760539 1312986054 /nfs/dbraw/zinc/98/60/54/1312986054.db2.gz GYIXASQOXRBKIC-NSHDSACASA-N 0 3 333.306 2.818 20 10 EFCDHN COC(=O)C[C@@H]1CCC[N@H+]1Cc1cccc(OC(F)(F)F)c1[O-] ZINC001233760539 1312986058 /nfs/dbraw/zinc/98/60/58/1312986058.db2.gz GYIXASQOXRBKIC-NSHDSACASA-N 0 3 333.306 2.818 20 10 EFCDHN Cc1noc([C@H]2CC[N@H+](Cc3cccc(OC(F)(F)F)c3[O-])C2)n1 ZINC001233768220 1312987746 /nfs/dbraw/zinc/98/77/46/1312987746.db2.gz MLTBDYNBGXZZJX-NSHDSACASA-N 0 3 343.305 2.972 20 10 EFCDHN Cc1noc([C@H]2CC[N@@H+](Cc3cccc(OC(F)(F)F)c3[O-])C2)n1 ZINC001233768220 1312987748 /nfs/dbraw/zinc/98/77/48/1312987748.db2.gz MLTBDYNBGXZZJX-NSHDSACASA-N 0 3 343.305 2.972 20 10 EFCDHN COc1ccc(O)c(CN2CCC(Oc3cc(Cl)ncn3)CC2)c1 ZINC001203678666 1312988045 /nfs/dbraw/zinc/98/80/45/1312988045.db2.gz QTNPEDDDLJNIDS-UHFFFAOYSA-N 0 3 349.818 2.888 20 10 EFCDHN [O-]c1c(F)cc(F)cc1C[NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1 ZINC000883049067 1293442583 /nfs/dbraw/zinc/44/25/83/1293442583.db2.gz CIINWIHBVDUHCI-IRXDYDNUSA-N 0 3 340.414 2.528 20 10 EFCDHN CC(C)=CCN(C)[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001194368984 1293599504 /nfs/dbraw/zinc/59/95/04/1293599504.db2.gz ZLSRCKXQFSNSTP-MRXNPFEDSA-N 0 3 343.431 2.962 20 10 EFCDHN CC(C)=CCN(C)[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001194368982 1293600600 /nfs/dbraw/zinc/60/06/00/1293600600.db2.gz ZLSRCKXQFSNSTP-INIZCTEOSA-N 0 3 343.431 2.962 20 10 EFCDHN Cc1noc(C)c1CN(C)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775654639 1293923068 /nfs/dbraw/zinc/92/30/68/1293923068.db2.gz OACZRFIVGVXXGQ-UHFFFAOYSA-N 0 3 328.460 2.675 20 10 EFCDHN CCOc1cccc(N2CCN(Cc3cccc(C)c3O)CC2)n1 ZINC000775659459 1293936583 /nfs/dbraw/zinc/93/65/83/1293936583.db2.gz XDIJYPAPQNTHJW-UHFFFAOYSA-N 0 3 327.428 2.817 20 10 EFCDHN Cc1cnc(O[C@H]2CCCN(Cc3ccc(N(C)C)cc3)C2)nc1 ZINC001203936780 1313051512 /nfs/dbraw/zinc/05/15/12/1313051512.db2.gz NFUIVXLNTKXCEG-SFHVURJKSA-N 0 3 326.444 2.894 20 10 EFCDHN CN(C)c1ccc(CN2CCC3(CCN(CC4CC4)C3=O)CC2)cc1 ZINC001203937521 1313051696 /nfs/dbraw/zinc/05/16/96/1313051696.db2.gz URIMMENRLJVENH-UHFFFAOYSA-N 0 3 341.499 2.977 20 10 EFCDHN CCN(CC)c1ccc(CN2CC[C@@H](Oc3ncccn3)C2)cc1 ZINC001203946814 1313052517 /nfs/dbraw/zinc/05/25/17/1313052517.db2.gz XMXQRYRWMAMJOX-GOSISDBHSA-N 0 3 326.444 2.976 20 10 EFCDHN CCC[C@@H]1C[N@H+](Cc2cccc(Cl)c2[O-])CCN1CCOC ZINC000775736741 1294322090 /nfs/dbraw/zinc/32/20/90/1294322090.db2.gz JDYIKLMRGDYAKX-OAHLLOKOSA-N 0 3 326.868 2.978 20 10 EFCDHN CCC[C@@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])CCN1CCOC ZINC000775736741 1294322096 /nfs/dbraw/zinc/32/20/96/1294322096.db2.gz JDYIKLMRGDYAKX-OAHLLOKOSA-N 0 3 326.868 2.978 20 10 EFCDHN CCC[C@H]1C[N@H+](Cc2cccc(Cl)c2[O-])CCN1CCOC ZINC000775736739 1294322124 /nfs/dbraw/zinc/32/21/24/1294322124.db2.gz JDYIKLMRGDYAKX-HNNXBMFYSA-N 0 3 326.868 2.978 20 10 EFCDHN CCC[C@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])CCN1CCOC ZINC000775736739 1294322125 /nfs/dbraw/zinc/32/21/25/1294322125.db2.gz JDYIKLMRGDYAKX-HNNXBMFYSA-N 0 3 326.868 2.978 20 10 EFCDHN CN1CCN(c2ccc(CN3CCO[C@H](c4ccco4)C3)cc2)CC1 ZINC000775734712 1294323120 /nfs/dbraw/zinc/32/31/20/1294323120.db2.gz XSIOZZZDTVAZMQ-FQEVSTJZSA-N 0 3 341.455 2.605 20 10 EFCDHN CC(=O)N1CCC2(CN(Cc3ccc(N(C)C)c4ccccc34)C2)C1 ZINC001204243375 1313107510 /nfs/dbraw/zinc/10/75/10/1313107510.db2.gz YKRZLABJNFGHCR-UHFFFAOYSA-N 0 3 337.467 2.960 20 10 EFCDHN CC(C)COC[C@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccc(O)cc2[O-])O1 ZINC001204273436 1313113405 /nfs/dbraw/zinc/11/34/05/1313113405.db2.gz BPZSYBGXMLEAAZ-ZHALLVOQSA-N 0 3 335.444 2.892 20 10 EFCDHN CC(C)COC[C@H]1CC[C@@H]2[C@@H](CC[N@H+]2Cc2ccc(O)cc2[O-])O1 ZINC001204273436 1313113408 /nfs/dbraw/zinc/11/34/08/1313113408.db2.gz BPZSYBGXMLEAAZ-ZHALLVOQSA-N 0 3 335.444 2.892 20 10 EFCDHN CCOC[C@@H]1COCCC12CC[NH+](Cc1ccc(O)cc1[O-])CC2 ZINC001204274818 1313113551 /nfs/dbraw/zinc/11/35/51/1313113551.db2.gz UCWMDTOWDZHWPY-MRXNPFEDSA-N 0 3 335.444 2.753 20 10 EFCDHN O=C1C[C@@]2(CC[N@@H+](Cc3ccc(O)cc3[O-])C2)CN1c1ccsc1 ZINC001204275085 1313113774 /nfs/dbraw/zinc/11/37/74/1313113774.db2.gz WTCXFBPWUIKAMT-GOSISDBHSA-N 0 3 344.436 2.788 20 10 EFCDHN O=C1C[C@@]2(CC[N@H+](Cc3ccc(O)cc3[O-])C2)CN1c1ccsc1 ZINC001204275085 1313113777 /nfs/dbraw/zinc/11/37/77/1313113777.db2.gz WTCXFBPWUIKAMT-GOSISDBHSA-N 0 3 344.436 2.788 20 10 EFCDHN C[N@H+](Cc1ccc(O)cc1[O-])[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001204275867 1313114153 /nfs/dbraw/zinc/11/41/53/1313114153.db2.gz DCBPVXKMZIZKAP-AWEZNQCLSA-N 0 3 336.432 2.929 20 10 EFCDHN C[N@@H+](Cc1ccc(O)cc1[O-])[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001204275867 1313114156 /nfs/dbraw/zinc/11/41/56/1313114156.db2.gz DCBPVXKMZIZKAP-AWEZNQCLSA-N 0 3 336.432 2.929 20 10 EFCDHN CC(C)(C)OC(=O)N1CC([C@@H]2CC[N@H+](Cc3ccc(O)cc3[O-])C2)C1 ZINC001204276743 1313114264 /nfs/dbraw/zinc/11/42/64/1313114264.db2.gz PVDRDSYYBZYPFO-CYBMUJFWSA-N 0 3 348.443 2.787 20 10 EFCDHN CC(C)(C)OC(=O)N1CC([C@@H]2CC[N@@H+](Cc3ccc(O)cc3[O-])C2)C1 ZINC001204276743 1313114266 /nfs/dbraw/zinc/11/42/66/1313114266.db2.gz PVDRDSYYBZYPFO-CYBMUJFWSA-N 0 3 348.443 2.787 20 10 EFCDHN CC(C)(C)OC(=O)N1CC2(C1)CC[N@H+](Cc1ccc(O)cc1[O-])C2 ZINC001204275801 1313114343 /nfs/dbraw/zinc/11/43/43/1313114343.db2.gz BPLICAFKDYDFIZ-UHFFFAOYSA-N 0 3 334.416 2.541 20 10 EFCDHN CC(C)(C)OC(=O)N1CC2(C1)CC[N@@H+](Cc1ccc(O)cc1[O-])C2 ZINC001204275801 1313114344 /nfs/dbraw/zinc/11/43/44/1313114344.db2.gz BPLICAFKDYDFIZ-UHFFFAOYSA-N 0 3 334.416 2.541 20 10 EFCDHN CC(C)(C)OC(=O)N1CCC[C@@H]2C[N@H+](Cc3ccc(O)cc3[O-])C[C@@H]21 ZINC001204276725 1313114375 /nfs/dbraw/zinc/11/43/75/1313114375.db2.gz PJGBNSFCYWQUCN-CJNGLKHVSA-N 0 3 348.443 2.929 20 10 EFCDHN CC(C)(C)OC(=O)N1CCC[C@@H]2C[N@@H+](Cc3ccc(O)cc3[O-])C[C@@H]21 ZINC001204276725 1313114376 /nfs/dbraw/zinc/11/43/76/1313114376.db2.gz PJGBNSFCYWQUCN-CJNGLKHVSA-N 0 3 348.443 2.929 20 10 EFCDHN CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(O)cc3[O-])CC[C@@H]2C1 ZINC001204276374 1313114435 /nfs/dbraw/zinc/11/44/35/1313114435.db2.gz LBOSNRQHPZQDJP-HIFRSBDPSA-N 0 3 348.443 2.787 20 10 EFCDHN CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](Cc3ccc(O)cc3[O-])CC[C@@H]2C1 ZINC001204276374 1313114436 /nfs/dbraw/zinc/11/44/36/1313114436.db2.gz LBOSNRQHPZQDJP-HIFRSBDPSA-N 0 3 348.443 2.787 20 10 EFCDHN O=C(C1CCCCC1)N1CCCN(Cc2ccc(O)cc2O)CC1 ZINC001204279635 1313115863 /nfs/dbraw/zinc/11/58/63/1313115863.db2.gz DGOXYSQODVSTCC-UHFFFAOYSA-N 0 3 332.444 2.712 20 10 EFCDHN OC[C@H]1CN(Cc2ccc(N3CCCC3)cc2)C[C@@H]1C(F)(F)F ZINC001204324928 1313122931 /nfs/dbraw/zinc/12/29/31/1313122931.db2.gz PKVALZIXFPCRSA-ZBFHGGJFSA-N 0 3 328.378 2.889 20 10 EFCDHN CCOC(=O)[C@H]1CCN(Cc2ccc(N3CCCC3)cc2)CCC1=O ZINC001204327255 1313123595 /nfs/dbraw/zinc/12/35/95/1313123595.db2.gz NIDGSTLNSIBIMN-SFHVURJKSA-N 0 3 344.455 2.631 20 10 EFCDHN CCOC(=O)C1=C(O)CCN(Cc2ccc(N3CCCC3)cc2)CC1 ZINC001204327255 1313123599 /nfs/dbraw/zinc/12/35/99/1313123599.db2.gz NIDGSTLNSIBIMN-SFHVURJKSA-N 0 3 344.455 2.631 20 10 EFCDHN O=C(N[C@@H]1CCCN(Cc2ccc(N3CCCC3)cc2)C1)C1CC1 ZINC001204329835 1313123877 /nfs/dbraw/zinc/12/38/77/1313123877.db2.gz ZWINYCNYCBDLHU-GOSISDBHSA-N 0 3 327.472 2.777 20 10 EFCDHN COc1cc(Br)cc(CN2CC[C@@H](C)[C@](C)(O)C2)c1O ZINC001204336384 1313124863 /nfs/dbraw/zinc/12/48/63/1313124863.db2.gz MPJOOQGJKOCYNQ-MEBBXXQBSA-N 0 3 344.249 2.756 20 10 EFCDHN COc1cc(Br)cc(CN2CC[C@@H](C)[C@H](O)CC2)c1O ZINC001204336487 1313125015 /nfs/dbraw/zinc/12/50/15/1313125015.db2.gz SIAOTSAJHVZTIO-ZWNOBZJWSA-N 0 3 344.249 2.756 20 10 EFCDHN COc1cc(Br)cc(CN2CCC[C@H](O)[C@H](C)C2)c1O ZINC001204335859 1313125027 /nfs/dbraw/zinc/12/50/27/1313125027.db2.gz AWOOIAHPLLMLCR-MFKMUULPSA-N 0 3 344.249 2.756 20 10 EFCDHN COc1cc(Br)cc(CN2CCC[C@@H](O)[C@H](C)C2)c1O ZINC001204335860 1313125170 /nfs/dbraw/zinc/12/51/70/1313125170.db2.gz AWOOIAHPLLMLCR-ZWNOBZJWSA-N 0 3 344.249 2.756 20 10 EFCDHN COc1cc(Br)cc(CN2C[C@H]3[C@H](CF)[C@H]3C2)c1O ZINC001204343119 1313126253 /nfs/dbraw/zinc/12/62/53/1313126253.db2.gz YSVPCOVYRBEBIE-CNDDSTCGSA-N 0 3 330.197 2.811 20 10 EFCDHN COc1cc(CN(Cc2ccccc2)CC(C)(C)O)cc(O)c1O ZINC001204349487 1313127194 /nfs/dbraw/zinc/12/71/94/1313127194.db2.gz UBRJEZLTTUXRMM-UHFFFAOYSA-N 0 3 331.412 2.880 20 10 EFCDHN COc1cc(CN2CCC3(CCn4c(C)cnc43)CC2)cc(O)c1O ZINC001204347922 1313127260 /nfs/dbraw/zinc/12/72/60/1313127260.db2.gz DAKSTZXSXTVKIB-UHFFFAOYSA-N 0 3 343.427 2.549 20 10 EFCDHN CC(=O)[C@H](C)N1C[C@]2(CC1=O)CCCCN2Cc1cccc(C)c1O ZINC001273770468 1295198561 /nfs/dbraw/zinc/19/85/61/1295198561.db2.gz RSUSBBJXUZJHTR-MGPUTAFESA-N 0 3 344.455 2.635 20 10 EFCDHN Cc1cccc(CN2CC[C@@H]3[C@H]2CCC(=O)N3CC(F)(F)F)c1O ZINC001273770493 1295198843 /nfs/dbraw/zinc/19/88/43/1295198843.db2.gz RZMQOWOFDIMUHR-ZIAGYGMSSA-N 0 3 342.361 2.828 20 10 EFCDHN COc1ccc2ccc([O-])c(C[N@H+](C[C@@H](O)CO)C(C)(C)C)c2c1 ZINC001234525801 1313145689 /nfs/dbraw/zinc/14/56/89/1313145689.db2.gz KFNAPHJWXYRZSZ-CQSZACIVSA-N 0 3 333.428 2.508 20 10 EFCDHN COc1ccc2ccc([O-])c(C[N@@H+](C[C@@H](O)CO)C(C)(C)C)c2c1 ZINC001234525801 1313145691 /nfs/dbraw/zinc/14/56/91/1313145691.db2.gz KFNAPHJWXYRZSZ-CQSZACIVSA-N 0 3 333.428 2.508 20 10 EFCDHN COc1ccc2ccc(O)c(CN3CCN(C(C)=O)[C@H](C)C3)c2c1 ZINC001234570391 1313160762 /nfs/dbraw/zinc/16/07/62/1313160762.db2.gz ZFTJARBSJIIRPJ-CYBMUJFWSA-N 0 3 328.412 2.607 20 10 EFCDHN CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)cc(C)c2[O-])[C@@H]1OC ZINC000775978388 1295540254 /nfs/dbraw/zinc/54/02/54/1295540254.db2.gz KRTQOXIAAVSCES-NFAWXSAZSA-N 0 3 344.249 2.745 20 10 EFCDHN CCN1CCN(c2ccc(O[C@H](C)C(=O)OC(C)(C)C)cc2)CC1 ZINC001234658296 1313179463 /nfs/dbraw/zinc/17/94/63/1313179463.db2.gz ZNHBSXCXDZHACP-OAHLLOKOSA-N 0 3 334.460 2.938 20 10 EFCDHN CCOC(=O)[C@H]1C[C@@H](Oc2ccc(N3CCN(CC)CC3)cc2)C1 ZINC001234660896 1313180048 /nfs/dbraw/zinc/18/00/48/1313180048.db2.gz MFYRZIVHWPQAOQ-RHNCMZPLSA-N 0 3 332.444 2.549 20 10 EFCDHN [O-]c1ccccc1C[NH+]1CCC(NC(=S)Nc2cccnc2)CC1 ZINC001199910574 1295817372 /nfs/dbraw/zinc/81/73/72/1295817372.db2.gz DTRFMSJOXRTCMV-UHFFFAOYSA-N 0 3 342.468 2.738 20 10 EFCDHN Cc1cccc(CNCc2cccc(S(=O)(=O)NC(C)C)c2)c1O ZINC000776043363 1295837088 /nfs/dbraw/zinc/83/70/88/1295837088.db2.gz XSPPDSGJWZNSNX-UHFFFAOYSA-N 0 3 348.468 2.677 20 10 EFCDHN CC(=O)[C@@H](C)N1C[C@@]2(CC1=O)CCCCN2Cc1c(C)cccc1O ZINC001274301832 1296057151 /nfs/dbraw/zinc/05/71/51/1296057151.db2.gz SPDWVTCBKOHHIZ-QRWLVFNGSA-N 0 3 344.455 2.635 20 10 EFCDHN [O-]c1c(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)cccc1-c1ccccc1 ZINC001234997086 1313218963 /nfs/dbraw/zinc/21/89/63/1313218963.db2.gz RKZATSHTNHWVKC-LJQANCHMSA-N 0 3 338.451 2.966 20 10 EFCDHN [O-]c1c(C[N@H+]2CC[C@@H](N3CCOCC3)C2)cccc1-c1ccccc1 ZINC001234997086 1313218966 /nfs/dbraw/zinc/21/89/66/1313218966.db2.gz RKZATSHTNHWVKC-LJQANCHMSA-N 0 3 338.451 2.966 20 10 EFCDHN COCCOCN1CCCC2(CC[NH+](Cc3ccccc3[O-])CC2)C1 ZINC001275267340 1296246766 /nfs/dbraw/zinc/24/67/66/1296246766.db2.gz LYQWUTRNBVHSNX-UHFFFAOYSA-N 0 3 348.487 2.691 20 10 EFCDHN COc1cc(C)c(CN2CCN(c3cccc(O)c3)CC2)c(O)c1 ZINC001205123557 1313237252 /nfs/dbraw/zinc/23/72/52/1313237252.db2.gz QCBKOJZSXBWCHN-UHFFFAOYSA-N 0 3 328.412 2.737 20 10 EFCDHN CC(C)NC(=O)N1CCC2(C1)CC[NH+](Cc1cc(F)ccc1[O-])CC2 ZINC001275913430 1296448806 /nfs/dbraw/zinc/44/88/06/1296448806.db2.gz MCZNECSICWRZAN-UHFFFAOYSA-N 0 3 349.450 2.937 20 10 EFCDHN CC(C)(C)c1cc([O-])c(CN2CCO[C@H]3C[NH2+]CC[C@@H]32)cc1Cl ZINC001235235625 1313270720 /nfs/dbraw/zinc/27/07/20/1313270720.db2.gz OLPMWZSWISYDEA-RDJZCZTQSA-N 0 3 338.879 2.906 20 10 EFCDHN [NH3+]C[C@H]1CN(Cc2cc(Br)ccc2[O-])CCC1(F)F ZINC001205762386 1313352248 /nfs/dbraw/zinc/35/22/48/1313352248.db2.gz LTCVFMFIKGSPPN-JTQLQIEISA-N 0 3 335.192 2.571 20 10 EFCDHN COc1cc([O-])c(CN2C[C@H](C)CC[C@H]2C[NH3+])cc1Br ZINC001205838092 1313363862 /nfs/dbraw/zinc/36/38/62/1313363862.db2.gz AOYREVXRZAQFJH-PWSUYJOCSA-N 0 3 343.265 2.723 20 10 EFCDHN CCNC(=O)COC1CC[NH+](Cc2ccc(C(C)(C)C)cc2[O-])CC1 ZINC001235678591 1313373468 /nfs/dbraw/zinc/37/34/68/1313373468.db2.gz CLQJUFHJVNIVTH-UHFFFAOYSA-N 0 3 348.487 2.807 20 10 EFCDHN CCNC(=O)CO[C@H]1CCC[N@H+](Cc2ccc(C(C)(C)C)cc2[O-])C1 ZINC001235678700 1313373594 /nfs/dbraw/zinc/37/35/94/1313373594.db2.gz LJAPFNDCGOYWAH-KRWDZBQOSA-N 0 3 348.487 2.807 20 10 EFCDHN CCNC(=O)CO[C@H]1CCC[N@@H+](Cc2ccc(C(C)(C)C)cc2[O-])C1 ZINC001235678700 1313373598 /nfs/dbraw/zinc/37/35/98/1313373598.db2.gz LJAPFNDCGOYWAH-KRWDZBQOSA-N 0 3 348.487 2.807 20 10 EFCDHN COCCCN(Cc1cc(Cl)c(C)cc1[O-])[C@@H]1CCC[NH2+]C1 ZINC001235808321 1313402316 /nfs/dbraw/zinc/40/23/16/1313402316.db2.gz ZWFJNCGNOXOUBJ-OAHLLOKOSA-N 0 3 326.868 2.945 20 10 EFCDHN [O-]c1cc(O)c(CN2CC[NH2+]C[C@@H]2Cc2ccccc2)cc1Cl ZINC001235849806 1313409081 /nfs/dbraw/zinc/40/90/81/1313409081.db2.gz NZBKFFVKRKHSSS-HNNXBMFYSA-N 0 3 332.831 2.768 20 10 EFCDHN CC[NH+](CC)[C@H](CNC(=O)c1cccc(O)c1[O-])Cc1ccccc1 ZINC000776329905 1297695786 /nfs/dbraw/zinc/69/57/86/1297695786.db2.gz HLRDYFXXDXNHHR-INIZCTEOSA-N 0 3 342.439 2.781 20 10 EFCDHN C[N@H+](Cc1cc(Br)cc(F)c1[O-])[C@@H]1CCCC[C@@H]1N ZINC001236212955 1313456802 /nfs/dbraw/zinc/45/68/02/1313456802.db2.gz ANJBFNPYPJRPRK-QWHCGFSZSA-N 0 3 331.229 2.996 20 10 EFCDHN C[N@@H+](Cc1cc(Br)cc(F)c1[O-])[C@@H]1CCCC[C@@H]1N ZINC001236212955 1313456806 /nfs/dbraw/zinc/45/68/06/1313456806.db2.gz ANJBFNPYPJRPRK-QWHCGFSZSA-N 0 3 331.229 2.996 20 10 EFCDHN CN(Cc1cc(Br)cc(F)c1[O-])[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236212955 1313456807 /nfs/dbraw/zinc/45/68/07/1313456807.db2.gz ANJBFNPYPJRPRK-QWHCGFSZSA-N 0 3 331.229 2.996 20 10 EFCDHN COc1cc([O-])c(CN(C)[C@H]2CCCC[C@H]2[NH3+])c(Br)c1 ZINC001236218060 1313457240 /nfs/dbraw/zinc/45/72/40/1313457240.db2.gz RHJYNBXHBADNNY-KGLIPLIRSA-N 0 3 343.265 2.865 20 10 EFCDHN Cc1cc(Br)c([O-])c(CN2C[C@H]3[C@H](C2)CCC[N@H+]3C)c1 ZINC001236668660 1313506800 /nfs/dbraw/zinc/50/68/00/1313506800.db2.gz DJCZDRKOQYXPCO-WFASDCNBSA-N 0 3 339.277 2.989 20 10 EFCDHN Cc1cc(Br)c([O-])c(CN2C[C@H]3[C@H](C2)CCC[N@@H+]3C)c1 ZINC001236668660 1313506801 /nfs/dbraw/zinc/50/68/01/1313506801.db2.gz DJCZDRKOQYXPCO-WFASDCNBSA-N 0 3 339.277 2.989 20 10 EFCDHN Cc1cc(Br)c([O-])c(C[N@@H+]2C[C@H]3[C@H](C2)CCCN3C)c1 ZINC001236668660 1313506802 /nfs/dbraw/zinc/50/68/02/1313506802.db2.gz DJCZDRKOQYXPCO-WFASDCNBSA-N 0 3 339.277 2.989 20 10 EFCDHN Cc1cc(Br)c([O-])c(C[N@H+]2C[C@H]3[C@H](C2)CCCN3C)c1 ZINC001236668660 1313506803 /nfs/dbraw/zinc/50/68/03/1313506803.db2.gz DJCZDRKOQYXPCO-WFASDCNBSA-N 0 3 339.277 2.989 20 10 EFCDHN COc1cc(O)c(CN2CCC(Oc3ccccn3)CC2)cc1OC ZINC001236756070 1313522941 /nfs/dbraw/zinc/52/29/41/1313522941.db2.gz HSYRHUINVLYFLP-UHFFFAOYSA-N 0 3 344.411 2.848 20 10 EFCDHN COc1cc(O)c(CN2CCC[C@H](Oc3cccnc3)C2)cc1OC ZINC001236756145 1313523051 /nfs/dbraw/zinc/52/30/51/1313523051.db2.gz JQUUVIRIRKURAU-INIZCTEOSA-N 0 3 344.411 2.848 20 10 EFCDHN COc1cc(CN2C[C@@H](C)N(C)[C@@H](C)C2)c(O)cc1Br ZINC001236755163 1313523143 /nfs/dbraw/zinc/52/31/43/1313523143.db2.gz ZRGPZANGUSFADG-PHIMTYICSA-N 0 3 343.265 2.688 20 10 EFCDHN Oc1ccc(OCc2ccccc2)cc1CN1CC[C@H](F)[C@@H](O)C1 ZINC001236778698 1313528049 /nfs/dbraw/zinc/52/80/49/1313528049.db2.gz LXASQCHHOLEHFM-HKUYNNGSSA-N 0 3 331.387 2.876 20 10 EFCDHN CCc1ccc(C[N@H+]2C[C@H]3CN(C(=O)c4ccco4)C[C@H]3C2)c([O-])c1 ZINC001236787347 1313528347 /nfs/dbraw/zinc/52/83/47/1313528347.db2.gz LITXBMPWNWJGMZ-CALCHBBNSA-N 0 3 340.423 2.752 20 10 EFCDHN CCc1ccc(C[N@@H+]2C[C@H]3CN(C(=O)c4ccco4)C[C@H]3C2)c([O-])c1 ZINC001236787347 1313528350 /nfs/dbraw/zinc/52/83/50/1313528350.db2.gz LITXBMPWNWJGMZ-CALCHBBNSA-N 0 3 340.423 2.752 20 10 EFCDHN COc1cc(C)c(C[N@@H+]2C[C@@H]3[C@H](NC(=O)OC(C)(C)C)[C@@H]3C2)c([O-])c1 ZINC001236807656 1313533221 /nfs/dbraw/zinc/53/32/21/1313533221.db2.gz HVFASWXQFGXPKW-SCAQPMJSSA-N 0 3 348.443 2.664 20 10 EFCDHN COc1cc(C)c(C[N@H+]2C[C@@H]3[C@H](NC(=O)OC(C)(C)C)[C@@H]3C2)c([O-])c1 ZINC001236807656 1313533225 /nfs/dbraw/zinc/53/32/25/1313533225.db2.gz HVFASWXQFGXPKW-SCAQPMJSSA-N 0 3 348.443 2.664 20 10 EFCDHN COC[C@]12CCCO[C@H]1CC[N@H+](Cc1c(C)cc(OC)cc1[O-])C2 ZINC001236808817 1313534425 /nfs/dbraw/zinc/53/44/25/1313534425.db2.gz CFSOWZIWHORZFC-RBUKOAKNSA-N 0 3 335.444 2.727 20 10 EFCDHN COC[C@]12CCCO[C@H]1CC[N@@H+](Cc1c(C)cc(OC)cc1[O-])C2 ZINC001236808817 1313534428 /nfs/dbraw/zinc/53/44/28/1313534428.db2.gz CFSOWZIWHORZFC-RBUKOAKNSA-N 0 3 335.444 2.727 20 10 EFCDHN CCN1CC[C@]2(CCC[N@H+](Cc3c(C)cc(OC)cc3[O-])C2)C1=O ZINC001236812313 1313534924 /nfs/dbraw/zinc/53/49/24/1313534924.db2.gz ZAANWQGBXAGAAI-IBGZPJMESA-N 0 3 332.444 2.544 20 10 EFCDHN CCN1CC[C@]2(CCC[N@@H+](Cc3c(C)cc(OC)cc3[O-])C2)C1=O ZINC001236812313 1313534927 /nfs/dbraw/zinc/53/49/27/1313534927.db2.gz ZAANWQGBXAGAAI-IBGZPJMESA-N 0 3 332.444 2.544 20 10 EFCDHN C[C@H]1CN(Cc2ccc(N3CCOCC3)cc2Cl)CC[C@@]1(C)O ZINC001236924041 1313554274 /nfs/dbraw/zinc/55/42/74/1313554274.db2.gz JROAHGGZUDVPQP-KBXCAEBGSA-N 0 3 338.879 2.769 20 10 EFCDHN C[C@@H](c1ccccc1)[N@H+](Cc1ccccc1[O-])CC1(CO)COC1 ZINC000305780261 1298829119 /nfs/dbraw/zinc/82/91/19/1298829119.db2.gz NZMDMHLQFOBDFB-INIZCTEOSA-N 0 3 327.424 2.964 20 10 EFCDHN C[C@@H](c1ccccc1)[N@@H+](Cc1ccccc1[O-])CC1(CO)COC1 ZINC000305780261 1298829130 /nfs/dbraw/zinc/82/91/30/1298829130.db2.gz NZMDMHLQFOBDFB-INIZCTEOSA-N 0 3 327.424 2.964 20 10 EFCDHN CN(Cc1ccc(N2CCN(C)CC2)cc1F)C[C@@H]1CCCCO1 ZINC001236938059 1313557529 /nfs/dbraw/zinc/55/75/29/1313557529.db2.gz IXDHDZFUMUFLOX-SFHVURJKSA-N 0 3 335.467 2.578 20 10 EFCDHN CN1CCN(c2ccc(CN3CC[C@H](C(F)(F)F)C3)c(F)c2)CC1 ZINC001236938863 1313557587 /nfs/dbraw/zinc/55/75/87/1313557587.db2.gz OMUBNCMENUIOCI-AWEZNQCLSA-N 0 3 345.384 2.962 20 10 EFCDHN Oc1ccc(C(F)(F)F)cc1CN1CCNC[C@H]1C(F)(F)F ZINC001236983825 1313566572 /nfs/dbraw/zinc/56/65/72/1313566572.db2.gz WUFHJEKEVYGHCF-NSHDSACASA-N 0 3 328.256 2.747 20 10 EFCDHN CCOc1ccc(C[N@@H+]2CCCN(c3ccccn3)CC2)c([O-])c1 ZINC001237040286 1313573434 /nfs/dbraw/zinc/57/34/34/1313573434.db2.gz BJVIXTLXSRHQTL-UHFFFAOYSA-N 0 3 327.428 2.898 20 10 EFCDHN CCOc1ccc(C[N@H+]2CCCN(c3ccccn3)CC2)c([O-])c1 ZINC001237040286 1313573440 /nfs/dbraw/zinc/57/34/40/1313573440.db2.gz BJVIXTLXSRHQTL-UHFFFAOYSA-N 0 3 327.428 2.898 20 10 EFCDHN CCOc1ccc(C[N@@H+]2CCC[C@@H](Oc3nccnc3C)C2)c([O-])c1 ZINC001237047967 1313575057 /nfs/dbraw/zinc/57/50/57/1313575057.db2.gz ODMYEZPQFOGKBC-QGZVFWFLSA-N 0 3 343.427 2.933 20 10 EFCDHN CCOc1ccc(C[N@H+]2CCC[C@@H](Oc3nccnc3C)C2)c([O-])c1 ZINC001237047967 1313575061 /nfs/dbraw/zinc/57/50/61/1313575061.db2.gz ODMYEZPQFOGKBC-QGZVFWFLSA-N 0 3 343.427 2.933 20 10 EFCDHN CCOc1ccc(C[N@@H+]2CCC[C@H](C(=O)N(CC)CC)C2)c([O-])c1 ZINC001237046158 1313575327 /nfs/dbraw/zinc/57/53/27/1313575327.db2.gz YIAOAAQFMKMXJU-INIZCTEOSA-N 0 3 334.460 2.871 20 10 EFCDHN CCOc1ccc(C[N@H+]2CCC[C@H](C(=O)N(CC)CC)C2)c([O-])c1 ZINC001237046158 1313575331 /nfs/dbraw/zinc/57/53/31/1313575331.db2.gz YIAOAAQFMKMXJU-INIZCTEOSA-N 0 3 334.460 2.871 20 10 EFCDHN CCOc1ccc(C[N@@H+]2CCC[C@H](Oc3ncccn3)C2)c([O-])c1 ZINC001237046497 1313575351 /nfs/dbraw/zinc/57/53/51/1313575351.db2.gz DCIASTRWRNWYFP-INIZCTEOSA-N 0 3 329.400 2.624 20 10 EFCDHN CCOc1ccc(C[N@H+]2CCC[C@H](Oc3ncccn3)C2)c([O-])c1 ZINC001237046497 1313575355 /nfs/dbraw/zinc/57/53/55/1313575355.db2.gz DCIASTRWRNWYFP-INIZCTEOSA-N 0 3 329.400 2.624 20 10 EFCDHN [O-]c1ccc(Cl)c(Cl)c1C[NH+]1CCC(N2CCOCC2)CC1 ZINC001237077275 1313582589 /nfs/dbraw/zinc/58/25/89/1313582589.db2.gz FCVOQPXELHEAFX-UHFFFAOYSA-N 0 3 345.270 2.996 20 10 EFCDHN CCOc1ccc(C[N@@H+]2CC[C@@H](Oc3ccc(OC)cn3)C2)c([O-])c1 ZINC001237048894 1313576392 /nfs/dbraw/zinc/57/63/92/1313576392.db2.gz ZNDVRYAKULGSJO-QGZVFWFLSA-N 0 3 344.411 2.848 20 10 EFCDHN CCOc1ccc(C[N@H+]2CC[C@@H](Oc3ccc(OC)cn3)C2)c([O-])c1 ZINC001237048894 1313576396 /nfs/dbraw/zinc/57/63/96/1313576396.db2.gz ZNDVRYAKULGSJO-QGZVFWFLSA-N 0 3 344.411 2.848 20 10 EFCDHN CCOc1ccc(C[N@@H+]2CCC[C@H](Oc3ncc(C)cn3)C2)c([O-])c1 ZINC001237048877 1313576427 /nfs/dbraw/zinc/57/64/27/1313576427.db2.gz YYQBSHCJNRRSIM-KRWDZBQOSA-N 0 3 343.427 2.933 20 10 EFCDHN CCOc1ccc(C[N@H+]2CCC[C@H](Oc3ncc(C)cn3)C2)c([O-])c1 ZINC001237048877 1313576429 /nfs/dbraw/zinc/57/64/29/1313576429.db2.gz YYQBSHCJNRRSIM-KRWDZBQOSA-N 0 3 343.427 2.933 20 10 EFCDHN COC[C@@H]1CN(Cc2ccc(C(C)C)cc2O)Cc2cn(C)nc21 ZINC001237051624 1313576950 /nfs/dbraw/zinc/57/69/50/1313576950.db2.gz NOTNQVFOYUAYHP-KRWDZBQOSA-N 0 3 329.444 2.995 20 10 EFCDHN COc1cnc(O[C@@H]2CC[N@H+](Cc3ccc(C(C)C)cc3[O-])C2)nc1 ZINC001237050869 1313577036 /nfs/dbraw/zinc/57/70/36/1313577036.db2.gz FEERKPUOZLVQFH-MRXNPFEDSA-N 0 3 343.427 2.968 20 10 EFCDHN COc1cnc(O[C@@H]2CC[N@@H+](Cc3ccc(C(C)C)cc3[O-])C2)nc1 ZINC001237050869 1313577037 /nfs/dbraw/zinc/57/70/37/1313577037.db2.gz FEERKPUOZLVQFH-MRXNPFEDSA-N 0 3 343.427 2.968 20 10 EFCDHN C[C@@H]1CCC[N@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])[C@@H]1CO ZINC001237053748 1313577237 /nfs/dbraw/zinc/57/72/37/1313577237.db2.gz PAQADMQJHZZEOV-BXUZGUMPSA-N 0 3 333.350 2.926 20 10 EFCDHN C[C@@H]1CCC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])[C@@H]1CO ZINC001237053748 1313577240 /nfs/dbraw/zinc/57/72/40/1313577240.db2.gz PAQADMQJHZZEOV-BXUZGUMPSA-N 0 3 333.350 2.926 20 10 EFCDHN CC(=O)N1CCO[C@H]2CC[N@@H+](Cc3ccc(C(C)C)cc3[O-])CC[C@H]21 ZINC001237051048 1313577298 /nfs/dbraw/zinc/57/72/98/1313577298.db2.gz IJLODCJNAMUOSF-QUCCMNQESA-N 0 3 346.471 2.727 20 10 EFCDHN CC(=O)N1CCO[C@H]2CC[N@H+](Cc3ccc(C(C)C)cc3[O-])CC[C@H]21 ZINC001237051048 1313577301 /nfs/dbraw/zinc/57/73/01/1313577301.db2.gz IJLODCJNAMUOSF-QUCCMNQESA-N 0 3 346.471 2.727 20 10 EFCDHN CCNC(=O)COC1CC[NH+](Cc2ccc(C(C)C)cc2[O-])CC1 ZINC001237051682 1313577334 /nfs/dbraw/zinc/57/73/34/1313577334.db2.gz QEHKPDMXYJJSCR-UHFFFAOYSA-N 0 3 334.460 2.633 20 10 EFCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@H+]1CCC[C@H](CCO)C1 ZINC001237055558 1313577624 /nfs/dbraw/zinc/57/76/24/1313577624.db2.gz FWVGJZISMUFJCI-GFCCVEGCSA-N 0 3 333.350 2.928 20 10 EFCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@@H+]1CCC[C@H](CCO)C1 ZINC001237055558 1313577628 /nfs/dbraw/zinc/57/76/28/1313577628.db2.gz FWVGJZISMUFJCI-GFCCVEGCSA-N 0 3 333.350 2.928 20 10 EFCDHN CC(C)c1ccc(CN2C[C@H]3CN(CC4CC4)C[C@@H](C2)O3)c(O)c1 ZINC001237053873 1313577659 /nfs/dbraw/zinc/57/76/59/1313577659.db2.gz PBSMMPHEEKIRLF-KDURUIRLSA-N 0 3 330.472 2.811 20 10 EFCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC001237053851 1313578092 /nfs/dbraw/zinc/57/80/92/1313578092.db2.gz RGMJKIOKMQIRDU-OLZOCXBDSA-N 0 3 331.334 2.802 20 10 EFCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC001237053851 1313578096 /nfs/dbraw/zinc/57/80/96/1313578096.db2.gz RGMJKIOKMQIRDU-OLZOCXBDSA-N 0 3 331.334 2.802 20 10 EFCDHN COCCN(Cc1c([O-])ccc(F)c1Cl)C1CC[NH+](C)CC1 ZINC001237124000 1313590503 /nfs/dbraw/zinc/59/05/03/1313590503.db2.gz IPFUPWLYFXKZBT-UHFFFAOYSA-N 0 3 330.831 2.727 20 10 EFCDHN Oc1cccc(OC(F)(F)F)c1CN1CCC[C@](O)(CF)CC1 ZINC001237121801 1313590953 /nfs/dbraw/zinc/59/09/53/1313590953.db2.gz ZPYZIMQVLLKBQR-CQSZACIVSA-N 0 3 337.313 2.977 20 10 EFCDHN C[C@H]1CCC[C@H](C)N1Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC001237202739 1313604945 /nfs/dbraw/zinc/60/49/45/1313604945.db2.gz KCTWFPVHVZBLPP-HOTGVXAUSA-N 0 3 336.501 2.684 20 10 EFCDHN O=S1(=O)CCN(c2ccc(CN3C4CCCC3CCC4)cc2)CC1 ZINC001237218210 1313607961 /nfs/dbraw/zinc/60/79/61/1313607961.db2.gz FDDQUHRVKITEFJ-UHFFFAOYSA-N 0 3 348.512 2.828 20 10 EFCDHN COc1ccc(N(C)CCN(C)CCc2nc(C(C)=O)c(C)[nH]2)cc1 ZINC000852210804 1299598532 /nfs/dbraw/zinc/59/85/32/1299598532.db2.gz BAHRTMXIBSFIKC-UHFFFAOYSA-N 0 3 344.459 2.540 20 10 EFCDHN COc1ccc(N(C)CCN(C)CCc2nc(C)c(C(C)=O)[nH]2)cc1 ZINC000852210804 1299598538 /nfs/dbraw/zinc/59/85/38/1299598538.db2.gz BAHRTMXIBSFIKC-UHFFFAOYSA-N 0 3 344.459 2.540 20 10 EFCDHN CSc1ccc([O-])c(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000852790732 1299889083 /nfs/dbraw/zinc/88/90/83/1299889083.db2.gz ATKRLPGEIXAKSG-INIZCTEOSA-N 0 3 345.468 2.610 20 10 EFCDHN Cc1cnc2n1CCN(C)C21CC[NH+](Cc2c(C)cccc2[O-])CC1 ZINC001237489061 1313654827 /nfs/dbraw/zinc/65/48/27/1313654827.db2.gz UXTLGLHAKIONQN-UHFFFAOYSA-N 0 3 340.471 2.642 20 10 EFCDHN Cc1cccc([O-])c1C[N@H+]1C[C@@H]2[C@H](CC(=O)NCc3ccco3)[C@@H]2C1 ZINC001237488569 1313655038 /nfs/dbraw/zinc/65/50/38/1313655038.db2.gz OEBAGGUJEUIEHN-VBUUOAMHSA-N 0 3 340.423 2.678 20 10 EFCDHN Cc1cccc([O-])c1C[N@@H+]1C[C@@H]2[C@H](CC(=O)NCc3ccco3)[C@@H]2C1 ZINC001237488569 1313655042 /nfs/dbraw/zinc/65/50/42/1313655042.db2.gz OEBAGGUJEUIEHN-VBUUOAMHSA-N 0 3 340.423 2.678 20 10 EFCDHN Cc1cccc([O-])c1C[NH+]1CCC(NC(=O)N2CCCCC2)CC1 ZINC001237496330 1313656669 /nfs/dbraw/zinc/65/66/69/1313656669.db2.gz YFMWDWMZUMCNEO-UHFFFAOYSA-N 0 3 331.460 2.861 20 10 EFCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@@H]4NC(=O)CC[C@H]4C3)c2c1 ZINC000853555984 1300163661 /nfs/dbraw/zinc/16/36/61/1300163661.db2.gz UKZHWCXEWCPXJZ-KSSFIOAISA-N 0 3 340.423 2.655 20 10 EFCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@@H]4NC(=O)CC[C@H]4C3)c2c1 ZINC000853555984 1300163664 /nfs/dbraw/zinc/16/36/64/1300163664.db2.gz UKZHWCXEWCPXJZ-KSSFIOAISA-N 0 3 340.423 2.655 20 10 EFCDHN CC(C)(C)c1cc(O)c(O)c(CN2CCC(N3CCOC3=O)CC2)c1 ZINC000853608426 1300190392 /nfs/dbraw/zinc/19/03/92/1300190392.db2.gz SRXSHIQAHBQCRU-UHFFFAOYSA-N 0 3 348.443 2.812 20 10 EFCDHN CN1C[C@@H]2C[N@H+](Cc3cc(-c4ccc(F)cc4)ccc3[O-])C[C@@H]2C1=O ZINC001237643758 1313682494 /nfs/dbraw/zinc/68/24/94/1313682494.db2.gz RFDXDHUXOJTFSU-AEFFLSMTSA-N 0 3 340.398 2.718 20 10 EFCDHN CN1C[C@@H]2C[N@@H+](Cc3cc(-c4ccc(F)cc4)ccc3[O-])C[C@@H]2C1=O ZINC001237643758 1313682497 /nfs/dbraw/zinc/68/24/97/1313682497.db2.gz RFDXDHUXOJTFSU-AEFFLSMTSA-N 0 3 340.398 2.718 20 10 EFCDHN C[C@@]1(CO)CC[N@H+](Cc2cc(-c3ccc(F)cc3)ccc2[O-])C[C@@H]1O ZINC001237640457 1313682940 /nfs/dbraw/zinc/68/29/40/1313682940.db2.gz BTOINQDBYGNQCU-PMACEKPBSA-N 0 3 345.414 2.764 20 10 EFCDHN C[C@@]1(CO)CC[N@@H+](Cc2cc(-c3ccc(F)cc3)ccc2[O-])C[C@@H]1O ZINC001237640457 1313682944 /nfs/dbraw/zinc/68/29/44/1313682944.db2.gz BTOINQDBYGNQCU-PMACEKPBSA-N 0 3 345.414 2.764 20 10 EFCDHN CC[N@@H+]1CCCN(Cc2cc(Br)c(C)cc2[O-])CC1 ZINC001237678181 1313689738 /nfs/dbraw/zinc/68/97/38/1313689738.db2.gz VUVDGHZDTJMGJZ-UHFFFAOYSA-N 0 3 327.266 2.991 20 10 EFCDHN CC[N@H+]1CCCN(Cc2cc(Br)c(C)cc2[O-])CC1 ZINC001237678181 1313689742 /nfs/dbraw/zinc/68/97/42/1313689742.db2.gz VUVDGHZDTJMGJZ-UHFFFAOYSA-N 0 3 327.266 2.991 20 10 EFCDHN CCc1nc(C2CCN(Cc3cc(OC)cc(OC)c3O)CC2)no1 ZINC001237681079 1313690440 /nfs/dbraw/zinc/69/04/40/1313690440.db2.gz OKUQPNSJTDGWCE-UHFFFAOYSA-N 0 3 347.415 2.734 20 10 EFCDHN COc1cc(CN2CC[C@@H](Oc3ccc(C)cn3)C2)c(O)c(OC)c1 ZINC001237682591 1313690450 /nfs/dbraw/zinc/69/04/50/1313690450.db2.gz BTIVQSURFPPVFT-OAHLLOKOSA-N 0 3 344.411 2.766 20 10 EFCDHN COc1ncnc2c1CC[N@H+](Cc1cc(Cl)cc(C)c1[O-])CC2 ZINC001237682572 1313690855 /nfs/dbraw/zinc/69/08/55/1313690855.db2.gz BKMXRWWKJMHHFL-UHFFFAOYSA-N 0 3 333.819 2.753 20 10 EFCDHN COc1ncnc2c1CC[N@@H+](Cc1cc(Cl)cc(C)c1[O-])CC2 ZINC001237682572 1313690857 /nfs/dbraw/zinc/69/08/57/1313690857.db2.gz BKMXRWWKJMHHFL-UHFFFAOYSA-N 0 3 333.819 2.753 20 10 EFCDHN COC(=O)C[C@H]1CCN(Cc2cc(Br)c(C)cc2O)C1 ZINC001237684226 1313691847 /nfs/dbraw/zinc/69/18/47/1313691847.db2.gz IGVHDHJMMVKZET-LLVKDONJSA-N 0 3 342.233 2.848 20 10 EFCDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@]3(CCN3c3ncccn3)C2)c1[O-] ZINC001237685603 1313691957 /nfs/dbraw/zinc/69/19/57/1313691957.db2.gz NPSJVMCBXSVEIY-SFHVURJKSA-N 0 3 344.846 2.999 20 10 EFCDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@]3(CCN3c3ncccn3)C2)c1[O-] ZINC001237685603 1313691960 /nfs/dbraw/zinc/69/19/60/1313691960.db2.gz NPSJVMCBXSVEIY-SFHVURJKSA-N 0 3 344.846 2.999 20 10 EFCDHN Cc1ccc(S(=O)(=O)[N-]c2cccc(N3CC[NH2+]CC3)c2)c(C)c1 ZINC001237745318 1313700154 /nfs/dbraw/zinc/70/01/54/1313700154.db2.gz FWKVXCLSUWWFCK-UHFFFAOYSA-N 0 3 345.468 2.514 20 10 EFCDHN [O-]c1c(F)cccc1C[NH+]1CCC2(CCN(Cc3cn[nH]c3)C2)CC1 ZINC001276537398 1313702763 /nfs/dbraw/zinc/70/27/63/1313702763.db2.gz GKDRBIKLKUBQMQ-UHFFFAOYSA-N 0 3 344.434 2.743 20 10 EFCDHN COC(=O)CCN(CCC[NH+](C)C)Cc1cc(F)c(Cl)cc1[O-] ZINC001237938130 1313733874 /nfs/dbraw/zinc/73/38/74/1313733874.db2.gz YKXHRFKPFYBNDF-UHFFFAOYSA-N 0 3 346.830 2.502 20 10 EFCDHN Cc1ncsc1/C=C\C(=O)N1C[C@H](CN(C)C)Oc2ccccc21 ZINC000776866702 1301204117 /nfs/dbraw/zinc/20/41/17/1301204117.db2.gz HUIOJHSLPPBFGM-CKXPSTMWSA-N 0 3 343.452 2.821 20 10 EFCDHN Cc1cc(F)cc(CN2C[C@@H]3CCN(C(=O)c4ccco4)[C@@H]3C2)c1O ZINC001238060998 1313753745 /nfs/dbraw/zinc/75/37/45/1313753745.db2.gz MCBIQEJRIKJXBS-XJKSGUPXSA-N 0 3 344.386 2.779 20 10 EFCDHN Cc1cc(F)cc(C[NH+]2C[C@@H]3CN(Cc4nccs4)C[C@H]3C2)c1[O-] ZINC001238062034 1313753518 /nfs/dbraw/zinc/75/35/18/1313753518.db2.gz SMAVLXMWTKVREO-HUUCEWRRSA-N 0 3 347.459 2.860 20 10 EFCDHN COc1ccnc(O[C@@H]2CCCN(Cc3cc(F)cc(C)c3O)C2)n1 ZINC001238067368 1313755124 /nfs/dbraw/zinc/75/51/24/1313755124.db2.gz SSOAEJCYNHCBBV-OAHLLOKOSA-N 0 3 347.390 2.682 20 10 EFCDHN COc1ccnc(O[C@H]2CCN(Cc3cc(F)cc(C)c3O)C2)c1 ZINC001238066749 1313755151 /nfs/dbraw/zinc/75/51/51/1313755151.db2.gz PCNFKYWGHPLLGM-INIZCTEOSA-N 0 3 332.375 2.897 20 10 EFCDHN O=S(=O)(N[C@H]1CNC[C@H]1F)c1ccc(/N=N/c2ccccc2)cc1 ZINC001238219590 1313785358 /nfs/dbraw/zinc/78/53/58/1313785358.db2.gz FYUSSLHDMASNTM-ZUIHOSHSSA-N 0 3 348.403 2.690 20 10 EFCDHN CCOc1ccc(C[NH2+][C@H]2CCCN(C(=O)N3CCCC3)C2)c([O-])c1 ZINC000796468798 1302059818 /nfs/dbraw/zinc/05/98/18/1302059818.db2.gz JNGZQOWNGQXUPM-INIZCTEOSA-N 0 3 347.459 2.561 20 10 EFCDHN CC[C@@H](C)[N@H+](CCO)Cc1cc(Br)cc(OC)c1[O-] ZINC000862387897 1302362950 /nfs/dbraw/zinc/36/29/50/1302362950.db2.gz TWESTOXZPPPYOU-SNVBAGLBSA-N 0 3 332.238 2.756 20 10 EFCDHN CC[C@@H](C)[N@@H+](CCO)Cc1cc(Br)cc(OC)c1[O-] ZINC000862387897 1302362967 /nfs/dbraw/zinc/36/29/67/1302362967.db2.gz TWESTOXZPPPYOU-SNVBAGLBSA-N 0 3 332.238 2.756 20 10 EFCDHN O=C(N1CCCC12CC2)C12CC([NH2+]Cc3cc(F)ccc3[O-])(C1)C2 ZINC001278255692 1313845283 /nfs/dbraw/zinc/84/52/83/1313845283.db2.gz WILVFOXIEKHBQZ-UHFFFAOYSA-N 0 3 330.403 2.699 20 10 EFCDHN O=C([C@@H]1CC12CC[NH+](Cc1cc(F)ccc1[O-])CC2)N1CC=CC1 ZINC001278256494 1313846266 /nfs/dbraw/zinc/84/62/66/1313846266.db2.gz GZSMENMVMAQAAZ-INIZCTEOSA-N 0 3 330.403 2.532 20 10 EFCDHN CNC1CN(S(=O)(=O)c2ccc(/N=N/c3ccccc3)cc2)C1 ZINC001238918142 1313883343 /nfs/dbraw/zinc/88/33/43/1313883343.db2.gz BPDSHVDQNYGILW-VHEBQXMUSA-N 0 3 330.413 2.694 20 10 EFCDHN Oc1ccc(CNCc2ccc(N3CCOCC3)c(F)c2)cc1F ZINC000120506811 1303223925 /nfs/dbraw/zinc/22/39/25/1303223925.db2.gz PVWXEDYEKRIFJA-UHFFFAOYSA-N 0 3 334.366 2.797 20 10 EFCDHN COc1cc(Br)cc(C[NH2+]C[C@H]2CCOC[C@@H]2C)c1[O-] ZINC000796496612 1304001995 /nfs/dbraw/zinc/00/19/95/1304001995.db2.gz BLKFQRBFFJZEQS-WDEREUQCSA-N 0 3 344.249 2.926 20 10 EFCDHN C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)c1cc([O-])cs1 ZINC000869801337 1304977071 /nfs/dbraw/zinc/97/70/71/1304977071.db2.gz HKSJYCZHYAUFGS-ZFWWWQNUSA-N 0 3 330.453 2.952 20 10 EFCDHN C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)c1cc([O-])cs1 ZINC000869801337 1304977078 /nfs/dbraw/zinc/97/70/78/1304977078.db2.gz HKSJYCZHYAUFGS-ZFWWWQNUSA-N 0 3 330.453 2.952 20 10 EFCDHN COc1ccc(N2CCN(CC3COC(C)(C)OC3)CC2)c(C)c1 ZINC001209202494 1314115145 /nfs/dbraw/zinc/11/51/45/1314115145.db2.gz QLZVDOAHOHSNBO-UHFFFAOYSA-N 0 3 334.460 2.525 20 10 EFCDHN C[C@H]1CCN(CCCF)C[C@@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000968684667 1306565761 /nfs/dbraw/zinc/56/57/61/1306565761.db2.gz GOVCYUWIAKRJKS-WFASDCNBSA-N 0 3 349.410 2.649 20 10 EFCDHN Cc1ccc(C)n1-c1ccc(CN2CCO[C@H](CN(C)C)C2)cc1 ZINC001209516453 1314178894 /nfs/dbraw/zinc/17/88/94/1314178894.db2.gz GYSNBHYACFYRSO-HXUWFJFHSA-N 0 3 327.472 2.857 20 10 EFCDHN CN1CCN(Cc2cccc(Nc3ccc4c(c3)OCCN4)c2)CC1 ZINC001209766954 1314234228 /nfs/dbraw/zinc/23/42/28/1314234228.db2.gz GLPHCHOJZYAUTH-UHFFFAOYSA-N 0 3 338.455 2.982 20 10 EFCDHN COc1cccc([O-])c1C[NH2+][C@@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000800902061 1308648337 /nfs/dbraw/zinc/64/83/37/1308648337.db2.gz TUKNQIBHLCPORL-OAHLLOKOSA-N 0 3 341.411 2.797 20 10 EFCDHN Cc1cc(CN2CC[C@@]23CCC[NH2+]C3)c([O-])cc1Br ZINC001222203725 1311098274 /nfs/dbraw/zinc/09/82/74/1311098274.db2.gz LDRMQDWNOLKQCX-OAHLLOKOSA-N 0 3 325.250 2.791 20 10 EFCDHN [O-]c1ccc(Br)cc1CN1CCC[C@@]12CCC[NH2+]C2 ZINC001222238057 1311103376 /nfs/dbraw/zinc/10/33/76/1311103376.db2.gz ZDGCVVYJSGTWHI-OAHLLOKOSA-N 0 3 325.250 2.873 20 10 EFCDHN [O-]c1ccc(Br)cc1CN1CCC[C@@]2(CCC[NH2+]2)C1 ZINC001222346728 1311117124 /nfs/dbraw/zinc/11/71/24/1311117124.db2.gz RXUFHQJBRKNFKJ-HNNXBMFYSA-N 0 3 325.250 2.873 20 10 EFCDHN CCOc1ccc(N2CC[C@H]3CN(Cc4cc(C)nn4C)C[C@H]32)cc1 ZINC001276926234 1311311611 /nfs/dbraw/zinc/31/16/11/1311311611.db2.gz OZPDBXJCZZLDHL-OXJNMPFZSA-N 0 3 340.471 2.838 20 10 EFCDHN COc1ccc(N2CC[C@H]3CN(Cc4cccc(=O)[nH]4)C[C@H]32)c(C)c1 ZINC001277018550 1311474374 /nfs/dbraw/zinc/47/43/74/1311474374.db2.gz MISHUXUAMISTFH-HNAYVOBHSA-N 0 3 339.439 2.815 20 10 EFCDHN O=C1c2ccccc2C(=O)c2cc(N=C3C[C@H]4CC[C@@H](C3)[NH2+]4)c([O-])cc21 ZINC001159649344 1311558001 /nfs/dbraw/zinc/55/80/01/1311558001.db2.gz PXRNKDYKKFSCRI-NEPJUHHUSA-N 0 3 346.386 2.988 20 10 EFCDHN Nc1cccnc1N[C@H](c1ccccc1O)[C@H]([NH3+])c1ccccc1[O-] ZINC001160616090 1311746629 /nfs/dbraw/zinc/74/66/29/1311746629.db2.gz CMKCXPFWNJJSBY-QZTJIDSGSA-N 0 3 336.395 2.928 20 10 EFCDHN CC(C)(C)NC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(O)cc1[O-])CC2 ZINC001277192334 1311781068 /nfs/dbraw/zinc/78/10/68/1311781068.db2.gz MQRQRTFIIWZANK-HNNXBMFYSA-N 0 3 332.444 2.615 20 10 EFCDHN N[C@@H](C(=O)N1CCc2cccc(O)c2C1)C12CC3CC(CC(C3)C1)C2 ZINC001160871919 1311799882 /nfs/dbraw/zinc/79/98/82/1311799882.db2.gz BJUHTWYVEQNMFN-BAMAOYLXSA-N 0 3 340.467 2.821 20 10 EFCDHN C[C@H](C[N+](C)(C)C)Oc1c(O)c([O-])ccc1C(=O)c1ccccc1 ZINC001227940565 1311876505 /nfs/dbraw/zinc/87/65/05/1311876505.db2.gz MMRLSTWTQVVMGS-CYBMUJFWSA-O 0 3 330.404 2.802 20 10 EFCDHN O=C(NC1CCC(F)CC1)[C@@]12C[C@@H]1CCN2Cc1ccccc1O ZINC001277440801 1312174495 /nfs/dbraw/zinc/17/44/95/1312174495.db2.gz FLZNNRAQFWPRBW-YHRBYZFPSA-N 0 3 332.419 2.754 20 10 EFCDHN CCN(C(=O)C[C@@H]1C[C@@H]2C[N@H+](Cc3ccccc3[O-])C[C@@H]2O1)C(C)C ZINC001277442754 1312179421 /nfs/dbraw/zinc/17/94/21/1312179421.db2.gz YXZHIIDPUAHUAZ-AOIWGVFYSA-N 0 3 346.471 2.629 20 10 EFCDHN CCN(C(=O)C[C@@H]1C[C@@H]2C[N@@H+](Cc3ccccc3[O-])C[C@@H]2O1)C(C)C ZINC001277442754 1312179424 /nfs/dbraw/zinc/17/94/24/1312179424.db2.gz YXZHIIDPUAHUAZ-AOIWGVFYSA-N 0 3 346.471 2.629 20 10 EFCDHN O=C([C@H]1CC12CC[NH+](Cc1ccccc1[O-])CC2)N1CCCCO1 ZINC001277445144 1312185556 /nfs/dbraw/zinc/18/55/56/1312185556.db2.gz BGEMNNPKOMFITI-MRXNPFEDSA-N 0 3 330.428 2.548 20 10 EFCDHN O=C([C@H]1CCC[C@]12CC[N@@H+](Cc1ccccc1[O-])C2)N1CCCCO1 ZINC001277445989 1312188685 /nfs/dbraw/zinc/18/86/85/1312188685.db2.gz KLFYSXFYWPSKPR-YLJYHZDGSA-N 0 3 344.455 2.938 20 10 EFCDHN O=C([C@H]1CCC[C@]12CC[N@H+](Cc1ccccc1[O-])C2)N1CCCCO1 ZINC001277445989 1312188688 /nfs/dbraw/zinc/18/86/88/1312188688.db2.gz KLFYSXFYWPSKPR-YLJYHZDGSA-N 0 3 344.455 2.938 20 10 EFCDHN O=C([C@@H]1CCC[C@@]12CC[N@@H+](Cc1ccccc1[O-])C2)N1CCCCO1 ZINC001277445887 1312188735 /nfs/dbraw/zinc/18/87/35/1312188735.db2.gz KLFYSXFYWPSKPR-PXNSSMCTSA-N 0 3 344.455 2.938 20 10 EFCDHN O=C([C@@H]1CCC[C@@]12CC[N@H+](Cc1ccccc1[O-])C2)N1CCCCO1 ZINC001277445887 1312188736 /nfs/dbraw/zinc/18/87/36/1312188736.db2.gz KLFYSXFYWPSKPR-PXNSSMCTSA-N 0 3 344.455 2.938 20 10 EFCDHN C[C@@H](CCNS(=O)(=O)c1ccccc1)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000903231555 1312482785 /nfs/dbraw/zinc/48/27/85/1312482785.db2.gz OCVBBFGJBCBRHM-GJZGRUSLSA-N 0 3 348.468 2.800 20 10 EFCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@@H+]1CC[C@H](F)[C@@H](O)C1 ZINC001231465556 1312504936 /nfs/dbraw/zinc/50/49/36/1312504936.db2.gz FFZKGFFBYJKPDM-HKUYNNGSSA-N 0 3 331.387 2.876 20 10 EFCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@H+]1CC[C@H](F)[C@@H](O)C1 ZINC001231465556 1312504940 /nfs/dbraw/zinc/50/49/40/1312504940.db2.gz FFZKGFFBYJKPDM-HKUYNNGSSA-N 0 3 331.387 2.876 20 10 EFCDHN Oc1cc(OCc2ccccc2)ccc1CN1CC[C@H](F)[C@@H](O)C1 ZINC001231465556 1312504942 /nfs/dbraw/zinc/50/49/42/1312504942.db2.gz FFZKGFFBYJKPDM-HKUYNNGSSA-N 0 3 331.387 2.876 20 10 EFCDHN COc1cc(CN2CCN(Cc3ccccc3)C[C@@H]2C)c(O)cc1O ZINC001231636075 1312537073 /nfs/dbraw/zinc/53/70/73/1312537073.db2.gz QCZQGBUMPTUQFI-HNNXBMFYSA-N 0 3 342.439 2.813 20 10 EFCDHN COc1cc(CN2CCC(Oc3cccc(C)n3)CC2)c(O)cc1O ZINC001231640150 1312537617 /nfs/dbraw/zinc/53/76/17/1312537617.db2.gz PEMXUPYVGHEERH-UHFFFAOYSA-N 0 3 344.411 2.853 20 10 EFCDHN CCOC(=O)C1(CC)CCN(Cc2cc(OC)c(O)cc2O)CC1 ZINC001231639290 1312537868 /nfs/dbraw/zinc/53/78/68/1312537868.db2.gz OEAWBMMVOMCLDU-UHFFFAOYSA-N 0 3 337.416 2.662 20 10 EFCDHN Cc1ccc(C[NH+]2CCC3(C[C@H]3C(=O)Nc3cn[nH]c3)CC2)c([O-])c1 ZINC001277559361 1312556936 /nfs/dbraw/zinc/55/69/36/1312556936.db2.gz AMDYULHGBXAKGV-INIZCTEOSA-N 0 3 340.427 2.665 20 10 EFCDHN Cc1noc(NC(=O)C23CC([NH2+]Cc4ccc(C)cc4[O-])(C2)C3)c1C ZINC001277560340 1312558513 /nfs/dbraw/zinc/55/85/13/1312558513.db2.gz WDRKPIZRWJXZHF-UHFFFAOYSA-N 0 3 341.411 2.956 20 10 EFCDHN Cc1cc(C)c(CN2CCN(Cc3ccccc3)[C@H](CO)C2)c(O)c1 ZINC001231842211 1312572609 /nfs/dbraw/zinc/57/26/09/1312572609.db2.gz KXDNHTQNBZEABW-IBGZPJMESA-N 0 3 340.467 2.688 20 10 EFCDHN CCOC(=O)C[C@@H]1CCCN(Cc2ccc(N(C)C)cc2OC)C1 ZINC001231852148 1312573866 /nfs/dbraw/zinc/57/38/66/1312573866.db2.gz QYHQAJSPYZHMIS-HNNXBMFYSA-N 0 3 334.460 2.926 20 10 EFCDHN COc1cc(N(C)C)ccc1CN1CC[C@@]2(C1)CCCCN2C(C)=O ZINC001231851625 1312574348 /nfs/dbraw/zinc/57/43/48/1312574348.db2.gz FKGRZAKYPRDLHN-HXUWFJFHSA-N 0 3 345.487 2.738 20 10 EFCDHN C[C@H]1CC[C@H](CO)CN1Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001232194251 1312646157 /nfs/dbraw/zinc/64/61/57/1312646157.db2.gz GPZHUDBIYIUAOA-HOCLYGCPSA-N 0 3 338.879 2.769 20 10 EFCDHN C[C@@H]1CN(Cc2ccc(N3CCOCC3)c(Cl)c2)C[C@H](C)N1C ZINC001232200223 1312646777 /nfs/dbraw/zinc/64/67/77/1312646777.db2.gz QKFHEAZLAAPHMT-GASCZTMLSA-N 0 3 337.895 2.701 20 10 EFCDHN CC[C@H](F)CN[C@@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001211344932 1314480723 /nfs/dbraw/zinc/48/07/23/1314480723.db2.gz HCPJTPPBABBHPB-DZGCQCFKSA-N 0 3 349.410 2.791 20 10 EFCDHN COC(=O)Cc1ccc(CN2CCc3cccc(OC)c3C2)c(O)c1 ZINC001249173022 1315029171 /nfs/dbraw/zinc/02/91/71/1315029171.db2.gz QAAYZMQFAZZJGM-UHFFFAOYSA-N 0 3 341.407 2.675 20 10 EFCDHN COC(=O)Cc1ccc(C[N@@H+]2CCc3cccc(OC)c3C2)c([O-])c1 ZINC001249173022 1315029176 /nfs/dbraw/zinc/02/91/76/1315029176.db2.gz QAAYZMQFAZZJGM-UHFFFAOYSA-N 0 3 341.407 2.675 20 10 EFCDHN COC(=O)Cc1ccc(C[N@H+]2CCc3cccc(OC)c3C2)c([O-])c1 ZINC001249173022 1315029182 /nfs/dbraw/zinc/02/91/82/1315029182.db2.gz QAAYZMQFAZZJGM-UHFFFAOYSA-N 0 3 341.407 2.675 20 10 EFCDHN COC(=O)Cc1ccc(C[N@H+]2C[C@H]3[C@H](CCC3(F)F)C2)c([O-])c1 ZINC001249178253 1315030073 /nfs/dbraw/zinc/03/00/73/1315030073.db2.gz PORPBLRWDZRZEH-OCCSQVGLSA-N 0 3 325.355 2.585 20 10 EFCDHN COC(=O)Cc1ccc(C[N@@H+]2C[C@H]3[C@H](CCC3(F)F)C2)c([O-])c1 ZINC001249178253 1315030075 /nfs/dbraw/zinc/03/00/75/1315030075.db2.gz PORPBLRWDZRZEH-OCCSQVGLSA-N 0 3 325.355 2.585 20 10 EFCDHN COC(=O)Cc1ccc(C[NH+]2CCC(c3ccncc3)CC2)c([O-])c1 ZINC001249201555 1315032789 /nfs/dbraw/zinc/03/27/89/1315032789.db2.gz XQOZKCYKJXAXKO-UHFFFAOYSA-N 0 3 340.423 2.882 20 10 EFCDHN COC(=O)Cc1ccc(C[NH+]2CCc3ccccc3CC2)c([O-])c1 ZINC001249201146 1315033001 /nfs/dbraw/zinc/03/30/01/1315033001.db2.gz HLEDAKBRRIWQID-UHFFFAOYSA-N 0 3 325.408 2.709 20 10 EFCDHN COC(=O)Cc1ccc(C[N@H+](C)CCc2cccc(F)c2)c([O-])c1 ZINC001249214224 1315034093 /nfs/dbraw/zinc/03/40/93/1315034093.db2.gz IJECXGREMZSAMN-UHFFFAOYSA-N 0 3 331.387 2.921 20 10 EFCDHN COC(=O)Cc1ccc(C[N@@H+](C)CCc2cccc(F)c2)c([O-])c1 ZINC001249214224 1315034094 /nfs/dbraw/zinc/03/40/94/1315034094.db2.gz IJECXGREMZSAMN-UHFFFAOYSA-N 0 3 331.387 2.921 20 10 EFCDHN COC(=O)[C@H]1CCC[N@H+](Cc2ccc3c(c2[O-])C=CC(C)(C)O3)C1 ZINC001249223634 1315034323 /nfs/dbraw/zinc/03/43/23/1315034323.db2.gz KKWQIWKLVZLHLZ-AWEZNQCLSA-N 0 3 331.412 2.961 20 10 EFCDHN COC(=O)[C@H]1CCC[N@@H+](Cc2ccc3c(c2[O-])C=CC(C)(C)O3)C1 ZINC001249223634 1315034328 /nfs/dbraw/zinc/03/43/28/1315034328.db2.gz KKWQIWKLVZLHLZ-AWEZNQCLSA-N 0 3 331.412 2.961 20 10 EFCDHN CC1(C)C=Cc2c([O-])c(C[N@H+]3CCc4nccn4CC3)ccc2O1 ZINC001249252900 1315039636 /nfs/dbraw/zinc/03/96/36/1315039636.db2.gz ZRJNIOWHMBEZMV-UHFFFAOYSA-N 0 3 325.412 2.831 20 10 EFCDHN CC1(C)C=Cc2c([O-])c(C[N@@H+]3CCc4nccn4CC3)ccc2O1 ZINC001249252900 1315039641 /nfs/dbraw/zinc/03/96/41/1315039641.db2.gz ZRJNIOWHMBEZMV-UHFFFAOYSA-N 0 3 325.412 2.831 20 10 EFCDHN CC1(C)C=Cc2c(O)c(CN3CCC[C@]4(CNC(=O)O4)C3)ccc2O1 ZINC001249251969 1315039917 /nfs/dbraw/zinc/03/99/17/1315039917.db2.gz CUSBUQMKJQRIHT-IBGZPJMESA-N 0 3 344.411 2.651 20 10 EFCDHN CCOC(=O)[C@@H]1CC[N@H+](Cc2ccc3c(c2[O-])C=CC(C)(C)O3)C1 ZINC001249252869 1315040164 /nfs/dbraw/zinc/04/01/64/1315040164.db2.gz YJZIFAZIOYDTKT-CQSZACIVSA-N 0 3 331.412 2.961 20 10 EFCDHN CCOC(=O)[C@@H]1CC[N@@H+](Cc2ccc3c(c2[O-])C=CC(C)(C)O3)C1 ZINC001249252869 1315040169 /nfs/dbraw/zinc/04/01/69/1315040169.db2.gz YJZIFAZIOYDTKT-CQSZACIVSA-N 0 3 331.412 2.961 20 10 EFCDHN COC(=O)[C@@H]1C[N@H+](Cc2ccc3c(c2[O-])C=CC(C)(C)O3)CC12CC2 ZINC001249263839 1315041489 /nfs/dbraw/zinc/04/14/89/1315041489.db2.gz YXWININWGIDRIK-HNNXBMFYSA-N 0 3 343.423 2.961 20 10 EFCDHN COC(=O)[C@@H]1C[N@@H+](Cc2ccc3c(c2[O-])C=CC(C)(C)O3)CC12CC2 ZINC001249263839 1315041493 /nfs/dbraw/zinc/04/14/93/1315041493.db2.gz YXWININWGIDRIK-HNNXBMFYSA-N 0 3 343.423 2.961 20 10 EFCDHN COC(=O)[C@H]1C[N@H+](Cc2ccc3c(c2[O-])C=CC(C)(C)O3)CC12CC2 ZINC001249263840 1315041781 /nfs/dbraw/zinc/04/17/81/1315041781.db2.gz YXWININWGIDRIK-OAHLLOKOSA-N 0 3 343.423 2.961 20 10 EFCDHN COC(=O)[C@H]1C[N@@H+](Cc2ccc3c(c2[O-])C=CC(C)(C)O3)CC12CC2 ZINC001249263840 1315041785 /nfs/dbraw/zinc/04/17/85/1315041785.db2.gz YXWININWGIDRIK-OAHLLOKOSA-N 0 3 343.423 2.961 20 10 EFCDHN COc1c(F)cc(F)cc1-c1noc(C[C@@H]([NH3+])c2ccccc2[O-])n1 ZINC001249338834 1315055945 /nfs/dbraw/zinc/05/59/45/1315055945.db2.gz FBMRPFKPCPPUJT-CYBMUJFWSA-N 0 3 347.321 2.972 20 10 EFCDHN [NH3+][C@H](Cc1nc(-c2cccc(-n3cccn3)c2)no1)c1ccccc1[O-] ZINC001249338791 1315056530 /nfs/dbraw/zinc/05/65/30/1315056530.db2.gz CFHIVUJMTGWDAX-MRXNPFEDSA-N 0 3 347.378 2.870 20 10 EFCDHN O=C1c2cccc(O[C@@H]3CC[C@]34CC[NH2+]C4)c2C(=O)c2cccc([O-])c21 ZINC001218114901 1315150821 /nfs/dbraw/zinc/15/08/21/1315150821.db2.gz DNWWXCFARWPPPX-IIBYNOLFSA-N 0 3 349.386 2.689 20 10 EFCDHN O=C1c2cccc(O[C@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)c2C(=O)c2cccc([O-])c21 ZINC001218185898 1315161269 /nfs/dbraw/zinc/16/12/69/1315161269.db2.gz JIBFLNHMBZLWBS-ITGUQSILSA-N 0 3 349.386 2.829 20 10 EFCDHN Cc1cc(CN2CCC3(CC2)OCCO3)c(O)cc1Br ZINC001250122427 1315175594 /nfs/dbraw/zinc/17/55/94/1315175594.db2.gz ACRVLJVVPHFIPZ-UHFFFAOYSA-N 0 3 342.233 2.802 20 10 EFCDHN CC[N@H+](CCC(=O)OC)Cc1cc(C)c(Br)cc1[O-] ZINC001250134007 1315177446 /nfs/dbraw/zinc/17/74/46/1315177446.db2.gz VFVNEIQNMQZEMC-UHFFFAOYSA-N 0 3 330.222 2.848 20 10 EFCDHN CC[N@@H+](CCC(=O)OC)Cc1cc(C)c(Br)cc1[O-] ZINC001250134007 1315177450 /nfs/dbraw/zinc/17/74/50/1315177450.db2.gz VFVNEIQNMQZEMC-UHFFFAOYSA-N 0 3 330.222 2.848 20 10 EFCDHN C[C@@H]1C[NH2+]CC[C@@H]1Oc1cccc2c1C(=O)c1c([O-])cccc1C2=O ZINC001218419515 1315193470 /nfs/dbraw/zinc/19/34/70/1315193470.db2.gz NOWWQBBDHJBWBH-ABAIWWIYSA-N 0 3 337.375 2.544 20 10 EFCDHN CC(C)(C)c1ccc(OC[C@H](O)C[NH2+]Cc2ccc(O)cc2[O-])cc1 ZINC001252765002 1315503862 /nfs/dbraw/zinc/50/38/62/1315503862.db2.gz LEICRZIZEWUOPP-QGZVFWFLSA-N 0 3 345.439 2.925 20 10 EFCDHN CCC[C@@H](O)CN1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001252788492 1315507854 /nfs/dbraw/zinc/50/78/54/1315507854.db2.gz ZAXSFASFBSQAMY-CQSZACIVSA-N 0 3 332.366 2.868 20 10 EFCDHN CCCC[C@H](CC)COC[C@H](O)C[NH2+]Cc1ccc(O)cc1[O-] ZINC001253023537 1315555426 /nfs/dbraw/zinc/55/54/26/1315555426.db2.gz WMYMIHLDHQFIMG-WMLDXEAASA-N 0 3 325.449 2.781 20 10 EFCDHN C[C@@H]([NH2+]C[C@](C)(O)C(=O)OCc1ccccc1)c1ccccc1[O-] ZINC001253652850 1315624140 /nfs/dbraw/zinc/62/41/40/1315624140.db2.gz FWAJOGUAQGBBIC-KUHUBIRLSA-N 0 3 329.396 2.537 20 10 EFCDHN CC(C)(C)OC(=O)N1CC[C@H]([N@@H+]2CCc3cccc([O-])c3C2)CC1=O ZINC001254257677 1315687722 /nfs/dbraw/zinc/68/77/22/1315687722.db2.gz XQFPMJZSQGEXFV-AWEZNQCLSA-N 0 3 346.427 2.676 20 10 EFCDHN CC(C)(C)OC(=O)N1CC[C@H]([N@H+]2CCc3cccc([O-])c3C2)CC1=O ZINC001254257677 1315687724 /nfs/dbraw/zinc/68/77/24/1315687724.db2.gz XQFPMJZSQGEXFV-AWEZNQCLSA-N 0 3 346.427 2.676 20 10 EFCDHN CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]([NH2+]Cc3ccc(O)cc3[O-])C[C@@H]2C1 ZINC001254890896 1315755627 /nfs/dbraw/zinc/75/56/27/1315755627.db2.gz JZOITILNFFUJRH-FICVDOATSA-N 0 3 348.443 2.833 20 10 EFCDHN CCOc1ccc(N2CCN([C@H]3C[C@@H]4CC(=O)C[C@@H]4C3)CC2)cc1 ZINC001254964465 1315766880 /nfs/dbraw/zinc/76/68/80/1315766880.db2.gz QPQIOZVFEBKCHA-VQFNDLOPSA-N 0 3 328.456 2.965 20 10 EFCDHN CCOC(=O)[C@H]1CCC[C@H](N2CCN(c3ccc(OC)cc3)CC2)C1 ZINC001255356177 1315808387 /nfs/dbraw/zinc/80/83/87/1315808387.db2.gz HSIWMJXEZADLSC-WMZOPIPTSA-N 0 3 346.471 2.939 20 10 EFCDHN CCOC(=O)[C@H]1CCC[C@H](N2CCCc3cc(O)c(O)cc3C2)C1 ZINC001255375695 1315812313 /nfs/dbraw/zinc/81/23/13/1315812313.db2.gz BYQUCYXRNWHJER-HOCLYGCPSA-N 0 3 333.428 2.968 20 10 EFCDHN COc1ccc(N2CCN(C[C@@H](O)[C@H](C)c3ccccc3)CC2)cc1 ZINC000827311379 1315977729 /nfs/dbraw/zinc/97/77/29/1315977729.db2.gz ZDSFHKNVJKRWND-DYESRHJHSA-N 0 3 340.467 2.982 20 10 EFCDHN CCOC(=O)C1(C(=O)OCC)CCC([NH2+]Cc2ccccc2[O-])CC1 ZINC001256991606 1316019661 /nfs/dbraw/zinc/01/96/61/1316019661.db2.gz ZIZGQFXISCTEDI-UHFFFAOYSA-N 0 3 349.427 2.537 20 10 EFCDHN CN(C)c1ccc([C@H](CNc2ccc3c(n2)CCC3=O)N(C)C)cc1 ZINC001262377225 1316464901 /nfs/dbraw/zinc/46/49/01/1316464901.db2.gz PGSBMHFVZWEDHU-SFHVURJKSA-N 0 3 338.455 2.991 20 10 EFCDHN Cc1c(CN2CC3(CCN3CCn3ccnc3)C2)c2ccccc2n1C ZINC001279542447 1317292065 /nfs/dbraw/zinc/29/20/65/1317292065.db2.gz WNJZGFMFLCLNKH-UHFFFAOYSA-N 0 3 349.482 2.644 20 10 EFCDHN [O-]c1cc2ccccc2cc1C[NH+]1CC2(C1)CCN(Cc1cn[nH]c1)C2 ZINC001279667405 1317353097 /nfs/dbraw/zinc/35/30/97/1317353097.db2.gz RVDIAGVKKMWONJ-UHFFFAOYSA-N 0 3 348.450 2.976 20 10 EFCDHN Cc1cc(C[NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)[nH]n1 ZINC001318787623 1328699196 /nfs/dbraw/zinc/69/91/96/1328699196.db2.gz NKWJJTCHYRDTKC-HNNXBMFYSA-N 0 3 334.851 2.831 20 10 EFCDHN Cc1cc(C[NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)[nH]n1 ZINC001318787624 1328699599 /nfs/dbraw/zinc/69/95/99/1328699599.db2.gz NKWJJTCHYRDTKC-OAHLLOKOSA-N 0 3 334.851 2.831 20 10 EFCDHN CN(Cc1ccc(N2CCN(C)CC2)c(F)c1)C[C@H]1CCCCO1 ZINC001319948364 1329042405 /nfs/dbraw/zinc/04/24/05/1329042405.db2.gz SWGFXZRLDVGGPK-QGZVFWFLSA-N 0 3 335.467 2.578 20 10 EFCDHN O=C1NCCc2ccc(CNCc3ccc(N4CCCC4)cc3)cc21 ZINC001320140485 1329097153 /nfs/dbraw/zinc/09/71/53/1329097153.db2.gz XIMRZUNLMJXITF-UHFFFAOYSA-N 0 3 335.451 2.863 20 10 EFCDHN O=[N+]([O-])c1cnn(CC[N@@H+](Cc2ccccc2[O-])C2CCCC2)c1 ZINC000746674428 1324437175 /nfs/dbraw/zinc/43/71/75/1324437175.db2.gz WTLCTQXVTWCGSV-UHFFFAOYSA-N 0 3 330.388 2.942 20 10 EFCDHN O=[N+]([O-])c1cnn(CC[N@H+](Cc2ccccc2[O-])C2CCCC2)c1 ZINC000746674428 1324437182 /nfs/dbraw/zinc/43/71/82/1324437182.db2.gz WTLCTQXVTWCGSV-UHFFFAOYSA-N 0 3 330.388 2.942 20 10 EFCDHN O=[N+]([O-])c1ccn(CC[N@@H+](Cc2ccccc2[O-])C2CCCC2)n1 ZINC000747959785 1324592839 /nfs/dbraw/zinc/59/28/39/1324592839.db2.gz UEKPRJREXWRYRQ-UHFFFAOYSA-N 0 3 330.388 2.942 20 10 EFCDHN O=[N+]([O-])c1ccn(CC[N@H+](Cc2ccccc2[O-])C2CCCC2)n1 ZINC000747959785 1324592844 /nfs/dbraw/zinc/59/28/44/1324592844.db2.gz UEKPRJREXWRYRQ-UHFFFAOYSA-N 0 3 330.388 2.942 20 10 EFCDHN CCCCNC(=O)CCN1CCN(c2ccc(OCC)cc2)CC1 ZINC001328603249 1330607558 /nfs/dbraw/zinc/60/75/58/1330607558.db2.gz GMRAGUDYSISQFB-UHFFFAOYSA-N 0 3 333.476 2.514 20 10 EFCDHN C[C@H](NC(=O)[C@H](N)C1CCCCC1)c1ccc(N2CCOCC2)cc1 ZINC001332516832 1330979905 /nfs/dbraw/zinc/97/99/05/1330979905.db2.gz MNBPQGGLHITDGQ-HNAYVOBHSA-N 0 3 345.487 2.608 20 10 EFCDHN C[C@@H](NC(=O)[C@@H](N)C1CCCCC1)c1ccc(N2CCOCC2)cc1 ZINC001332516829 1330979998 /nfs/dbraw/zinc/97/99/98/1330979998.db2.gz MNBPQGGLHITDGQ-BEFAXECRSA-N 0 3 345.487 2.608 20 10 EFCDHN CC[C@@H](N[C@@H](C)C(=O)NCC(F)(F)F)c1ccc(N(C)C)cc1 ZINC001337294858 1331558392 /nfs/dbraw/zinc/55/83/92/1331558392.db2.gz TXDIQFQPGYSVIH-SMDDNHRTSA-N 0 3 331.382 2.860 20 10 EFCDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCc1ccc(N)cc1 ZINC001338580601 1331717883 /nfs/dbraw/zinc/71/78/83/1331717883.db2.gz AUPSQVBNZKDCRA-BEFAXECRSA-N 0 3 338.455 2.589 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)c2ccc(F)cc2N)N(C)C)cc1 ZINC001341999824 1332293594 /nfs/dbraw/zinc/29/35/94/1332293594.db2.gz QWGFZMGIGRHTLI-SFHVURJKSA-N 0 3 344.434 2.507 20 10 EFCDHN CC(C)c1ncc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)[nH]1 ZINC001342710546 1332335767 /nfs/dbraw/zinc/33/57/67/1332335767.db2.gz YWXDEJUNZZTKLU-KRWDZBQOSA-N 0 3 343.475 2.632 20 10 EFCDHN Cc1coc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)c1C ZINC001352166853 1333410862 /nfs/dbraw/zinc/41/08/62/1333410862.db2.gz CEFSHZIMVYICBL-KRWDZBQOSA-N 0 3 329.444 2.995 20 10 EFCDHN CCN1CCC[C@H]1CNC(=[NH2+])NCc1cc(Cl)cc(Cl)c1[O-] ZINC000849077858 1335070179 /nfs/dbraw/zinc/07/01/79/1335070179.db2.gz QSLNFZIXVDTIOW-LBPRGKRZSA-N 0 3 345.274 2.797 20 10 EFCDHN CCOc1ccc(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000849349247 1335596272 /nfs/dbraw/zinc/59/62/72/1335596272.db2.gz XJVDSHVFMASHDB-AWEZNQCLSA-N 0 3 336.432 2.890 20 10 EFCDHN NC(=O)N=Nc1ccc(C(=O)N[C@H]2CCN(CCCCCF)C2)cc1 ZINC001690112810 1417156598 /nfs/dbraw/zinc/15/65/98/1417156598.db2.gz MNMFNRROTPYOTE-HNNXBMFYSA-N 0 3 349.410 2.793 20 10 EFCDHN COC(=O)C[C@@H]1CSCCN1Cc1cc2c(cc1O)CCCC2 ZINC000160282904 713490801 /nfs/dbraw/zinc/49/08/01/713490801.db2.gz KPKWCXHHLFSHNM-MRXNPFEDSA-N 0 3 335.469 2.752 20 10 EFCDHN CCOC1(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)CCCC1 ZINC000891247033 714134325 /nfs/dbraw/zinc/13/43/25/714134325.db2.gz GTMMWJMPAOBNIH-SFHVURJKSA-N 0 3 347.503 2.821 20 10 EFCDHN Cc1cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)ns1 ZINC000891247459 714135373 /nfs/dbraw/zinc/13/53/73/714135373.db2.gz HKVDVYCEVDDVIO-INIZCTEOSA-N 0 3 332.473 2.550 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)c2coc(C3CC3)n2)N(C)C)cc1 ZINC000891249716 714139148 /nfs/dbraw/zinc/13/91/48/714139148.db2.gz VWHNXFVWNBUTPE-KRWDZBQOSA-N 0 3 342.443 2.651 20 10 EFCDHN CC[C@@H]1C[C@@H](C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)CCO1 ZINC000891249891 714139273 /nfs/dbraw/zinc/13/92/73/714139273.db2.gz XNZUOKSYVAVFBG-UHOSZYNNSA-N 0 3 347.503 2.677 20 10 EFCDHN CCCc1cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)no1 ZINC000891249664 714139341 /nfs/dbraw/zinc/13/93/41/714139341.db2.gz RUNLNAIWRBYUHR-SFHVURJKSA-N 0 3 344.459 2.726 20 10 EFCDHN CCC1(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)CCOCC1 ZINC000891250139 714141768 /nfs/dbraw/zinc/14/17/68/714141768.db2.gz ZNTFMCOUTHLQRB-SFHVURJKSA-N 0 3 347.503 2.678 20 10 EFCDHN COc1csc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)c1 ZINC000891251967 714142707 /nfs/dbraw/zinc/14/27/07/714142707.db2.gz ISOGFUUQOSJKQM-INIZCTEOSA-N 0 3 347.484 2.855 20 10 EFCDHN C[C@@H]1CC[C@H](CCC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)O1 ZINC000891251989 714142979 /nfs/dbraw/zinc/14/29/79/714142979.db2.gz JFABHMIGMTXOAU-LZQZEXGQSA-N 0 3 347.503 2.819 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)CCc2ccco2)N(C)C)cc1 ZINC000891251676 714145314 /nfs/dbraw/zinc/14/53/14/714145314.db2.gz DTILAJWVIJORIL-SFHVURJKSA-N 0 3 329.444 2.697 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=O)C2CC(F)(F)C2)N(C)C)cc1 ZINC000891252361 714146894 /nfs/dbraw/zinc/14/68/94/714146894.db2.gz JXHPTADGXLIPHA-OAHLLOKOSA-N 0 3 325.403 2.517 20 10 EFCDHN CC(C)COCCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891255141 714150225 /nfs/dbraw/zinc/15/02/25/714150225.db2.gz NEPPJJLKMCWHDT-SFHVURJKSA-N 0 3 335.492 2.534 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=O)c2ccnc(Cl)c2)N(C)C)cc1 ZINC000891255963 714150634 /nfs/dbraw/zinc/15/06/34/714150634.db2.gz UFHZZCQFNJHCRH-MRXNPFEDSA-N 0 3 346.862 2.834 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=O)c2cc(Cl)c[nH]2)N(C)C)cc1 ZINC000891256514 714151033 /nfs/dbraw/zinc/15/10/33/714151033.db2.gz YWVWZKSRLVUBEM-MRXNPFEDSA-N 0 3 334.851 2.767 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=O)c2cc(Cl)ccn2)N(C)C)cc1 ZINC000891256414 714151041 /nfs/dbraw/zinc/15/10/41/714151041.db2.gz YHFGTWRMZIHZBV-QGZVFWFLSA-N 0 3 346.862 2.834 20 10 EFCDHN C[C@H](NCc1ccc(N(C)C)cc1)c1cccc(NS(C)(=O)=O)c1 ZINC000067505240 714501865 /nfs/dbraw/zinc/50/18/65/714501865.db2.gz ODVXEAWWSHTEET-AWEZNQCLSA-N 0 3 347.484 2.975 20 10 EFCDHN COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)c3ccccc3[O-])C2)cc1C ZINC001021851501 714560849 /nfs/dbraw/zinc/56/08/49/714560849.db2.gz WDIFBULXDUPNSW-IYBDPMFKSA-N 0 3 340.423 2.760 20 10 EFCDHN CC1(C)CC[C@H](CO)N(Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000895925528 724396498 /nfs/dbraw/zinc/39/64/98/724396498.db2.gz BZICKEVLOTZIRH-MRXNPFEDSA-N 0 3 336.451 2.645 20 10 EFCDHN COCCOc1ccc(CNCc2ccc(N(C)C)cc2C)cn1 ZINC000840930157 717311026 /nfs/dbraw/zinc/31/10/26/717311026.db2.gz JWMMJRFFAKHKSS-UHFFFAOYSA-N 0 3 329.444 2.771 20 10 EFCDHN CN(C)[C@H](CNC(=O)N(C)Cc1ccccc1O)c1ccccc1 ZINC000125868046 717470650 /nfs/dbraw/zinc/47/06/50/717470650.db2.gz VVXLIELDJBQJRV-QGZVFWFLSA-N 0 3 327.428 2.837 20 10 EFCDHN Cc1ccc(C(=O)N2CCN(CC3CCCCC3)CC2)c(O)c1O ZINC000177676837 718158492 /nfs/dbraw/zinc/15/84/92/718158492.db2.gz YPKMMNMSFSGKLR-UHFFFAOYSA-N 0 3 332.444 2.744 20 10 EFCDHN O=C1C[C@@H](NCc2ccc3c(c2)CCO3)CN1c1c(F)cccc1F ZINC000180222146 718307662 /nfs/dbraw/zinc/30/76/62/718307662.db2.gz KLNMXRWWTWZQJG-CQSZACIVSA-N 0 3 344.361 2.795 20 10 EFCDHN COc1ccc([C@@H](CO)N(C)Cc2cc(C)cc(OC)c2O)cc1 ZINC000894027638 720239920 /nfs/dbraw/zinc/23/99/20/720239920.db2.gz SBSJNYVLWFMNKY-QGZVFWFLSA-N 0 3 331.412 2.883 20 10 EFCDHN COc1cc(C)cc(CNCc2cccc(C(=O)NC3CC3)c2)c1O ZINC000894207409 721208774 /nfs/dbraw/zinc/20/87/74/721208774.db2.gz WEPDIYAJYUINID-UHFFFAOYSA-N 0 3 340.423 2.891 20 10 EFCDHN COc1cc(C)cc(CN[C@H]2CCN(c3ccccc3)C2=O)c1O ZINC000894226240 721311122 /nfs/dbraw/zinc/31/11/22/721311122.db2.gz OZELMSFIIIGWMT-INIZCTEOSA-N 0 3 326.396 2.604 20 10 EFCDHN COc1cc(C)cc(CN[C@H]2C[C@H](C)N(c3ccccc3)C2=O)c1O ZINC000894305128 722029295 /nfs/dbraw/zinc/02/92/95/722029295.db2.gz WSIIFWOBQUYYTM-YOEHRIQHSA-N 0 3 340.423 2.993 20 10 EFCDHN COc1ccc(CN2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c(O)c1OC ZINC000894553967 722781239 /nfs/dbraw/zinc/78/12/39/722781239.db2.gz VYQJALXZBFZXJZ-YJBOKZPZSA-N 0 3 333.428 2.943 20 10 EFCDHN COc1ccc(CN2CCN(C)Cc3ccccc32)c(O)c1OC ZINC000894600554 722789290 /nfs/dbraw/zinc/78/92/90/722789290.db2.gz CXJUGZRVNLAWNG-UHFFFAOYSA-N 0 3 328.412 2.861 20 10 EFCDHN COc1cc(C)cc(CN[C@H](c2cccnc2)C(C)(C)CO)c1O ZINC000894857442 722900816 /nfs/dbraw/zinc/90/08/16/722900816.db2.gz MMRXCJPUCWPLCF-GOSISDBHSA-N 0 3 330.428 2.954 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=O)NCC2CC=CC2)N(C)C)cc1 ZINC000895962333 723068439 /nfs/dbraw/zinc/06/84/39/723068439.db2.gz YUACONXZJJBNIN-GOSISDBHSA-N 0 3 330.476 2.621 20 10 EFCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCC[C@H](CNC(C)=O)C3)c2c1 ZINC000067382673 723139372 /nfs/dbraw/zinc/13/93/72/723139372.db2.gz WSNBPBAZVQZZOA-OAHLLOKOSA-N 0 3 342.439 2.902 20 10 EFCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCC[C@H](CNC(C)=O)C3)c2c1 ZINC000067382673 723139376 /nfs/dbraw/zinc/13/93/76/723139376.db2.gz WSNBPBAZVQZZOA-OAHLLOKOSA-N 0 3 342.439 2.902 20 10 EFCDHN Cc1ccc(CNC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)o1 ZINC000896124725 723143035 /nfs/dbraw/zinc/14/30/35/723143035.db2.gz HYDHSZZTOBOKNS-GOSISDBHSA-N 0 3 344.459 2.756 20 10 EFCDHN COc1ccc(CNCc2cccnc2N2CCCC2)c(O)c1OC ZINC000895319917 724027393 /nfs/dbraw/zinc/02/73/93/724027393.db2.gz KASSYHIEISTMSW-UHFFFAOYSA-N 0 3 343.427 2.694 20 10 EFCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+]CCO[C@H]1CCOC1 ZINC000897202809 724080072 /nfs/dbraw/zinc/08/00/72/724080072.db2.gz YPVIZVODEBJIRK-IBGZPJMESA-N 0 3 343.423 2.866 20 10 EFCDHN COc1ccc(C2=NO[C@H](C[NH2+]Cc3cc(F)ccc3[O-])C2)cc1 ZINC000895496972 724167866 /nfs/dbraw/zinc/16/78/66/724167866.db2.gz XMVYJEYDTXXQRV-INIZCTEOSA-N 0 3 330.359 2.823 20 10 EFCDHN CN1CCN(c2ccc(CNCc3ccnc(Cl)c3F)cc2)CC1 ZINC000895607070 724221247 /nfs/dbraw/zinc/22/12/47/724221247.db2.gz KLRCLIRDIFSJIG-UHFFFAOYSA-N 0 3 348.853 2.916 20 10 EFCDHN CCO/C=C/[C@](O)(CNCc1ccc2c(c1)CCCO2)C(F)(F)F ZINC000895718265 724278084 /nfs/dbraw/zinc/27/80/84/724278084.db2.gz LYJVYCXAAFNQJV-DYLHUKMJSA-N 0 3 345.361 2.945 20 10 EFCDHN COc1cc(Br)cc(C[NH2+]C[C@@]2(C)CCCO2)c1[O-] ZINC000152915612 726289966 /nfs/dbraw/zinc/28/99/66/726289966.db2.gz JYLWGLGXPDPHPB-CQSZACIVSA-N 0 3 330.222 2.822 20 10 EFCDHN COC1CC[NH+](C2(CNC(=O)c3cc([O-])cs3)CCCC2)CC1 ZINC000732289968 727016699 /nfs/dbraw/zinc/01/66/99/727016699.db2.gz NEEVZNJMELDRCZ-UHFFFAOYSA-N 0 3 338.473 2.607 20 10 EFCDHN COC1CCN(C2(CNC(=O)C3=CC(=O)CS3)CCCC2)CC1 ZINC000732289968 727016703 /nfs/dbraw/zinc/01/67/03/727016703.db2.gz NEEVZNJMELDRCZ-UHFFFAOYSA-N 0 3 338.473 2.607 20 10 EFCDHN CCN(Cc1cc2c(cc1O)OCO2)C[C@H]1COc2ccccc2O1 ZINC000915824788 727174349 /nfs/dbraw/zinc/17/43/49/727174349.db2.gz IULKQPSEIZEOTA-AWEZNQCLSA-N 0 3 343.379 2.783 20 10 EFCDHN CCC[C@@](C)(O)C[NH2+]Cc1cc(Br)cc(OC)c1[O-] ZINC000732820574 727244690 /nfs/dbraw/zinc/24/46/90/727244690.db2.gz LKHOBYONGXDNEY-CQSZACIVSA-N 0 3 332.238 2.804 20 10 EFCDHN CCN(CC)c1ccc(CN[C@H](C)C(=O)NCc2ccco2)cc1 ZINC000111399433 727664321 /nfs/dbraw/zinc/66/43/21/727664321.db2.gz QGLXDDIGCRYIAP-OAHLLOKOSA-N 0 3 329.444 2.920 20 10 EFCDHN [NH3+][C@@H]1CCCO[C@@H]1C1CCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000841099544 727973460 /nfs/dbraw/zinc/97/34/60/727973460.db2.gz LLTQIJHQWHTFHN-RHSMWYFYSA-N 0 3 342.842 2.903 20 10 EFCDHN C[C@H]1CN(Cc2ccccc2)CCN(C(=O)c2cccc(O)c2O)C1 ZINC000323808586 728039207 /nfs/dbraw/zinc/03/92/07/728039207.db2.gz NGDBNANQSKSGNZ-HNNXBMFYSA-N 0 3 340.423 2.692 20 10 EFCDHN COc1ccc(O)c([C@@H](C)NCC(=O)N2CCc3ccccc3C2)c1 ZINC000182405658 728145610 /nfs/dbraw/zinc/14/56/10/728145610.db2.gz UUOMYXNKCRQCSQ-CQSZACIVSA-N 0 3 340.423 2.636 20 10 EFCDHN COc1ccc(O)c([C@@H](C)NCC(=O)N[C@H](C)c2ccccc2)c1 ZINC000182431812 728149475 /nfs/dbraw/zinc/14/94/75/728149475.db2.gz GSAGCAANTUSOMM-ZIAGYGMSSA-N 0 3 328.412 2.929 20 10 EFCDHN COc1ccc(O)c([C@H](C)NCc2cc(=O)n3cccc(C)c3n2)c1 ZINC000182468943 728179407 /nfs/dbraw/zinc/17/94/07/728179407.db2.gz RCDXSZPGBNZRPI-ZDUSSCGKSA-N 0 3 339.395 2.568 20 10 EFCDHN C[C@@H]([NH2+][C@@H]1CC(=O)N(CCOc2ccccc2)C1)c1ccccc1[O-] ZINC000183612355 728200164 /nfs/dbraw/zinc/20/01/64/728200164.db2.gz LKDUTTSXBARAJD-HZPDHXFCSA-N 0 3 340.423 2.723 20 10 EFCDHN COc1ccc(O)c(CN2CCN(CCc3ccccc3)CC2)c1 ZINC000179632521 729599223 /nfs/dbraw/zinc/59/92/23/729599223.db2.gz FTMUCZAJOQQKPC-UHFFFAOYSA-N 0 3 326.440 2.761 20 10 EFCDHN COc1ccc2c(c1)N(C(=O)c1cccc3c1CCNC3)C[C@@H](C)O2 ZINC001579244850 1090559905 /nfs/dbraw/zinc/55/99/05/1090559905.db2.gz MTXPXZMHXBSUSD-CYBMUJFWSA-N 0 3 338.407 2.769 20 10 EFCDHN [O-]c1cccc(Br)c1C[NH2+]C[C@H]1Cc2ccccc2CN1 ZINC001580888390 1091035953 /nfs/dbraw/zinc/03/59/53/1091035953.db2.gz KCNWBDHSUPHKDX-CQSZACIVSA-N 0 3 347.256 2.959 20 10 EFCDHN [O-]c1cccc(Br)c1C[NH2+]C[C@@H]1Cc2ccccc2CN1 ZINC001580888388 1091036188 /nfs/dbraw/zinc/03/61/88/1091036188.db2.gz KCNWBDHSUPHKDX-AWEZNQCLSA-N 0 3 347.256 2.959 20 10 EFCDHN CC[C@H]([NH2+][C@H]1Cc2ccc(-c3nn[nH]n3)cc2C1)c1ccccc1[O-] ZINC001590464983 1093433719 /nfs/dbraw/zinc/43/37/19/1093433719.db2.gz RXTIBIUPCQFOGM-RDJZCZTQSA-N 0 3 335.411 2.780 20 10 EFCDHN CCc1cccc(C[N@H+](C)CCc2cccc(-c3nnn[n-]3)c2)c1O ZINC001590897243 1093624425 /nfs/dbraw/zinc/62/44/25/1093624425.db2.gz XSVBPLIBMOEEKQ-UHFFFAOYSA-N 0 3 337.427 2.809 20 10 EFCDHN CCc1cccc(C[N@@H+](C)CCc2cccc(-c3nnn[n-]3)c2)c1O ZINC001590897243 1093624429 /nfs/dbraw/zinc/62/44/29/1093624429.db2.gz XSVBPLIBMOEEKQ-UHFFFAOYSA-N 0 3 337.427 2.809 20 10 EFCDHN CCc1cccc(C[N@H+](C)CCc2cccc(-c3nn[n-]n3)c2)c1O ZINC001590897243 1093624431 /nfs/dbraw/zinc/62/44/31/1093624431.db2.gz XSVBPLIBMOEEKQ-UHFFFAOYSA-N 0 3 337.427 2.809 20 10 EFCDHN CCc1cccc(C[N@@H+](C)CCc2cccc(-c3nn[n-]n3)c2)c1O ZINC001590897243 1093624434 /nfs/dbraw/zinc/62/44/34/1093624434.db2.gz XSVBPLIBMOEEKQ-UHFFFAOYSA-N 0 3 337.427 2.809 20 10 EFCDHN CN(C)c1ccc(C[N@H+](C)CCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC001591119860 1093663633 /nfs/dbraw/zinc/66/36/33/1093663633.db2.gz CTUOZMMYHVPLHY-UHFFFAOYSA-N 0 3 336.443 2.607 20 10 EFCDHN CN(C)c1ccc(C[N@@H+](C)CCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC001591119860 1093663636 /nfs/dbraw/zinc/66/36/36/1093663636.db2.gz CTUOZMMYHVPLHY-UHFFFAOYSA-N 0 3 336.443 2.607 20 10 EFCDHN CN(C)c1ccc(C[N@H+](C)CCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC001591119860 1093663640 /nfs/dbraw/zinc/66/36/40/1093663640.db2.gz CTUOZMMYHVPLHY-UHFFFAOYSA-N 0 3 336.443 2.607 20 10 EFCDHN CN(C)c1ccc(C[N@@H+](C)CCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC001591119860 1093663644 /nfs/dbraw/zinc/66/36/44/1093663644.db2.gz CTUOZMMYHVPLHY-UHFFFAOYSA-N 0 3 336.443 2.607 20 10 EFCDHN COc1cccc([C@@H](C)[NH2+][C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1O ZINC001591633944 1093807979 /nfs/dbraw/zinc/80/79/79/1093807979.db2.gz URFGXAHNCVUDJG-NWDGAFQWSA-N 0 3 339.399 2.993 20 10 EFCDHN COc1ccc(CNCc2ccc(N3CCC(CO)CC3)cc2)cn1 ZINC000780511541 1094363325 /nfs/dbraw/zinc/36/33/25/1094363325.db2.gz PUVYFTVQFCDEML-UHFFFAOYSA-N 0 3 341.455 2.589 20 10 EFCDHN COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(-c3nn[n-]n3)cc2C)c1 ZINC001605302658 1097088410 /nfs/dbraw/zinc/08/84/10/1097088410.db2.gz FETOHWIQEQNKGR-GFCCVEGCSA-N 0 3 339.399 2.740 20 10 EFCDHN CCCN(Cc1ccc(-c2nnn[n-]2)cc1F)c1ccc(C[NH3+])cc1 ZINC001609214394 1098207967 /nfs/dbraw/zinc/20/79/67/1098207967.db2.gz DCOYPGTVULKYDS-UHFFFAOYSA-N 0 3 340.406 2.881 20 10 EFCDHN CCCN(Cc1ccc(-c2nn[n-]n2)cc1F)c1ccc(C[NH3+])cc1 ZINC001609214394 1098207971 /nfs/dbraw/zinc/20/79/71/1098207971.db2.gz DCOYPGTVULKYDS-UHFFFAOYSA-N 0 3 340.406 2.881 20 10 EFCDHN Cc1ccc(O)c(C[NH2+]Cc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC001609427189 1098313480 /nfs/dbraw/zinc/31/34/80/1098313480.db2.gz RTIMMRLBHFZOMQ-UHFFFAOYSA-N 0 3 329.791 2.824 20 10 EFCDHN [NH3+]CC1(F)CCN(Cc2cc(F)cc(Br)c2[O-])CC1 ZINC001222548629 1099117329 /nfs/dbraw/zinc/11/73/29/1099117329.db2.gz VJWCNUUCJHPMMF-UHFFFAOYSA-N 0 3 335.192 2.557 20 10 EFCDHN Cc1cc(N(C)C)ncc1NCc1ccc(N2CCN(C)CC2)cc1 ZINC001167434282 1101662714 /nfs/dbraw/zinc/66/27/14/1101662714.db2.gz GUQIYGTYNYTKCR-UHFFFAOYSA-N 0 3 339.487 2.820 20 10 EFCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@H]2CCCNC2=O)c1[O-] ZINC000840826207 1101754965 /nfs/dbraw/zinc/75/49/65/1101754965.db2.gz STMVVXQKKFNMIT-GHMZBOCLSA-N 0 3 341.249 2.640 20 10 EFCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@H](Oc3cccc(F)c3)C1)[C@H](O)CO2 ZINC000784028547 1103393577 /nfs/dbraw/zinc/39/35/77/1103393577.db2.gz OMIGQQVWQXLGDZ-MAUKXSAKSA-N 0 3 345.370 2.610 20 10 EFCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@H](Oc3cccc(F)c3)C1)[C@H](O)CO2 ZINC000784028547 1103393588 /nfs/dbraw/zinc/39/35/88/1103393588.db2.gz OMIGQQVWQXLGDZ-MAUKXSAKSA-N 0 3 345.370 2.610 20 10 EFCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@@H](C4OCCO4)C3)c2c1 ZINC000905695680 1103542279 /nfs/dbraw/zinc/54/22/79/1103542279.db2.gz PCOYPHFLJTZGFZ-CQSZACIVSA-N 0 3 329.396 2.749 20 10 EFCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@@H](C4OCCO4)C3)c2c1 ZINC000905695680 1103542285 /nfs/dbraw/zinc/54/22/85/1103542285.db2.gz PCOYPHFLJTZGFZ-CQSZACIVSA-N 0 3 329.396 2.749 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=O)Nc2ccc(N)cc2)N(C)C)cc1 ZINC000904499540 1107994367 /nfs/dbraw/zinc/99/43/67/1107994367.db2.gz GFFBQMKABKBIEW-GOSISDBHSA-N 0 3 341.459 2.759 20 10 EFCDHN C[C@@H]1CN(c2ccc(CNC[C@@](C)(O)C(F)F)cc2F)C[C@@H](C)O1 ZINC000905054939 1108362965 /nfs/dbraw/zinc/36/29/65/1108362965.db2.gz LSDLWQYOWSTCPF-PSTGCABASA-N 0 3 346.393 2.545 20 10 EFCDHN CN(C)c1ccc([C@@H](CNCc2c(Cl)cnn2C)N(C)C)cc1 ZINC000898450883 1108944218 /nfs/dbraw/zinc/94/42/18/1108944218.db2.gz UTSYQIZKMAHFKG-MRXNPFEDSA-N 0 3 335.883 2.532 20 10 EFCDHN CCN(C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)C1CCC1 ZINC000899103304 1109202958 /nfs/dbraw/zinc/20/29/58/1109202958.db2.gz YPXFACYYGRBCRW-SFHVURJKSA-N 0 3 332.492 2.939 20 10 EFCDHN C[C@@H]1C[C@H](C)N(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC000899102767 1109203345 /nfs/dbraw/zinc/20/33/45/1109203345.db2.gz RMPKNBBORFVLPK-RVKKMQEKSA-N 0 3 332.492 2.795 20 10 EFCDHN CCN(CC1CC1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899100649 1109208428 /nfs/dbraw/zinc/20/84/28/1109208428.db2.gz BLFUKYOWPIYIJK-GOSISDBHSA-N 0 3 332.492 2.797 20 10 EFCDHN CCCS(=O)(=O)N1CCC([NH2+][C@@H](C)c2ccc(C)cc2[O-])CC1 ZINC000192843282 1109341288 /nfs/dbraw/zinc/34/12/88/1109341288.db2.gz FHPZVFUBCNDPSC-AWEZNQCLSA-N 0 3 340.489 2.555 20 10 EFCDHN CC(C)=CCN1C(=O)C[C@]2(CCC[N@H+](Cc3ccccc3[O-])C2)C1=O ZINC001272618170 1111752338 /nfs/dbraw/zinc/75/23/38/1111752338.db2.gz CFONHJNNIIPBBR-FQEVSTJZSA-N 0 3 342.439 2.700 20 10 EFCDHN CC(C)=CCN1C(=O)C[C@]2(CCC[N@@H+](Cc3ccccc3[O-])C2)C1=O ZINC001272618170 1111752343 /nfs/dbraw/zinc/75/23/43/1111752343.db2.gz CFONHJNNIIPBBR-FQEVSTJZSA-N 0 3 342.439 2.700 20 10 EFCDHN O=C1N(CCC(F)(F)F)CC[C@]12CC[N@@H+](Cc1ccccc1[O-])C2 ZINC001272618212 1111752371 /nfs/dbraw/zinc/75/23/71/1111752371.db2.gz CPQQPIXRVMGCET-INIZCTEOSA-N 0 3 342.361 2.769 20 10 EFCDHN O=C1N(CCC(F)(F)F)CC[C@]12CC[N@H+](Cc1ccccc1[O-])C2 ZINC001272618212 1111752374 /nfs/dbraw/zinc/75/23/74/1111752374.db2.gz CPQQPIXRVMGCET-INIZCTEOSA-N 0 3 342.361 2.769 20 10 EFCDHN CC[C@@H](C)N1CC[C@@]2(CC[N@H+](Cc3ccc(OC)cc3[O-])C2)C1=O ZINC001272625285 1111764455 /nfs/dbraw/zinc/76/44/55/1111764455.db2.gz JWBROZOTCAYNKF-AUUYWEPGSA-N 0 3 332.444 2.624 20 10 EFCDHN CC[C@@H](C)N1CC[C@@]2(CC[N@@H+](Cc3ccc(OC)cc3[O-])C2)C1=O ZINC001272625285 1111764457 /nfs/dbraw/zinc/76/44/57/1111764457.db2.gz JWBROZOTCAYNKF-AUUYWEPGSA-N 0 3 332.444 2.624 20 10 EFCDHN CCCCNC(=O)[C@H]1CC12CC[NH+](Cc1ccc(OC)cc1[O-])CC2 ZINC001272625247 1111765625 /nfs/dbraw/zinc/76/56/25/1111765625.db2.gz JDPAWOSXGBLGDJ-QGZVFWFLSA-N 0 3 346.471 2.919 20 10 EFCDHN CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(OC)cc1[O-] ZINC001272626480 1111768712 /nfs/dbraw/zinc/76/87/12/1111768712.db2.gz YMORCWSGDWWKEC-IAGOWNOFSA-N 0 3 332.444 2.766 20 10 EFCDHN CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccc(OC)cc1[O-] ZINC001272626480 1111768718 /nfs/dbraw/zinc/76/87/18/1111768718.db2.gz YMORCWSGDWWKEC-IAGOWNOFSA-N 0 3 332.444 2.766 20 10 EFCDHN CCCCN1CC[C@@]2(CCCN2Cc2cc(OC)ccc2O)C1=O ZINC001272637375 1111787079 /nfs/dbraw/zinc/78/70/79/1111787079.db2.gz LOQUYRYKPPHMKM-IBGZPJMESA-N 0 3 332.444 2.768 20 10 EFCDHN CC[C@@H](C)N1CC[C@@]2(CCCN2Cc2cc(OC)ccc2O)C1=O ZINC001272637752 1111788461 /nfs/dbraw/zinc/78/84/61/1111788461.db2.gz NANKNLCTCGFHEC-KUHUBIRLSA-N 0 3 332.444 2.766 20 10 EFCDHN Cc1c(O)ccc(CN2CCC[C@]23CCN(CC(C)C)C3=O)c1O ZINC001272659793 1111943702 /nfs/dbraw/zinc/94/37/02/1111943702.db2.gz FTOJAFIUGYUXLL-LJQANCHMSA-N 0 3 332.444 2.629 20 10 EFCDHN COc1ccc(O)c([C@H](C)NCC(=O)NCc2sccc2C)c1 ZINC000182450695 1118608713 /nfs/dbraw/zinc/60/87/13/1118608713.db2.gz NVPLFKGBOGPEIQ-LBPRGKRZSA-N 0 3 334.441 2.738 20 10 EFCDHN Cc1cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)c(C)o1 ZINC000038635163 1120556028 /nfs/dbraw/zinc/55/60/28/1120556028.db2.gz KMNNRGFPFLERJI-GOSISDBHSA-N 0 3 329.444 2.995 20 10 EFCDHN CC[C@H]([NH2+]Cc1ccnc(N2CCN(C)CC2)c1)c1ccccc1[O-] ZINC000155181322 529633524 /nfs/dbraw/zinc/63/35/24/529633524.db2.gz AKBDEFGRLAKOOP-SFHVURJKSA-N 0 3 340.471 2.780 20 10 EFCDHN CN(C[C@H]1CCCN(C)C1)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000172135987 529965663 /nfs/dbraw/zinc/96/56/63/529965663.db2.gz PHRAMLVWUZCKCX-SFHVURJKSA-N 0 3 344.503 2.770 20 10 EFCDHN COc1cc(O)c(CN(C)[C@@H]2CCCc3c2cnn3C)cc1OC ZINC000160465197 239051472 /nfs/dbraw/zinc/05/14/72/239051472.db2.gz RVKUPPYEHFPQFV-CQSZACIVSA-N 0 3 331.416 2.652 20 10 EFCDHN COc1cc(O)c(CN(C)[C@H]2CCCc3c2cnn3C)cc1OC ZINC000160465324 239052332 /nfs/dbraw/zinc/05/23/32/239052332.db2.gz RVKUPPYEHFPQFV-AWEZNQCLSA-N 0 3 331.416 2.652 20 10 EFCDHN COC[C@H](C)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000163414886 239105275 /nfs/dbraw/zinc/10/52/75/239105275.db2.gz USEJPWGLSAYAKB-LBPRGKRZSA-N 0 3 332.366 2.667 20 10 EFCDHN C[C@H]1C[C@H](NC(=O)NCc2ccc(N3CCCC3)cc2)CN1C1CC1 ZINC000177708215 239388088 /nfs/dbraw/zinc/38/80/88/239388088.db2.gz HOLOFGSEZADYQP-RDJZCZTQSA-N 0 3 342.487 2.711 20 10 EFCDHN Cc1cc(C(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)c(C)n1-c1ccccn1 ZINC000177183956 239363818 /nfs/dbraw/zinc/36/38/18/239363818.db2.gz MSJVUTJOPOCVGY-BBRMVZONSA-N 0 3 338.455 2.844 20 10 EFCDHN C[C@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1)c1ccccc1[O-] ZINC000186042154 239629373 /nfs/dbraw/zinc/62/93/73/239629373.db2.gz XVWRRZJNJYXVHH-AWEZNQCLSA-N 0 3 346.452 2.783 20 10 EFCDHN [O-]c1ccccc1C[NH2+]C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000192356965 240041294 /nfs/dbraw/zinc/04/12/94/240041294.db2.gz VSQAXNHEGAULST-LJQANCHMSA-N 0 3 326.440 2.773 20 10 EFCDHN C[C@H](CN1CCN(C)CC1)[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000192842738 240066819 /nfs/dbraw/zinc/06/68/19/240066819.db2.gz NMTLXAGDTDNWKK-NEPJUHHUSA-N 0 3 346.302 2.986 20 10 EFCDHN Cc1ccc(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)c([O-])c1O ZINC000194737088 240173255 /nfs/dbraw/zinc/17/32/55/240173255.db2.gz AEYXQRPATUUEGL-MRXNPFEDSA-N 0 3 340.423 2.658 20 10 EFCDHN Cc1ccc(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)c([O-])c1O ZINC000194737088 240173261 /nfs/dbraw/zinc/17/32/61/240173261.db2.gz AEYXQRPATUUEGL-MRXNPFEDSA-N 0 3 340.423 2.658 20 10 EFCDHN CSCC[C@@H](N)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000195138913 240204819 /nfs/dbraw/zinc/20/48/19/240204819.db2.gz FMWHULFTINUPCE-QGZVFWFLSA-N 0 3 335.517 2.716 20 10 EFCDHN CN(C)c1ccc(CNC(=O)N2CCC[C@H]3CN(C)CC[C@@H]32)cc1F ZINC000246008608 240262815 /nfs/dbraw/zinc/26/28/15/240262815.db2.gz STWBJCOOGUNONK-RDJZCZTQSA-N 0 3 348.466 2.517 20 10 EFCDHN Cc1ccc(O)c(CNCc2ccncc2OC[C@H]2CCOC2)c1 ZINC000288454938 241011879 /nfs/dbraw/zinc/01/18/79/241011879.db2.gz NGYRIPBUVGXZCO-HNNXBMFYSA-N 0 3 328.412 2.801 20 10 EFCDHN O=C(N1CCCC1)N1CCC[C@@H]([NH2+][C@@H]2CCc3cccc([O-])c32)C1 ZINC000297436604 283887983 /nfs/dbraw/zinc/88/79/83/283887983.db2.gz VSNIUHWJNBPADY-HZPDHXFCSA-N 0 3 329.444 2.649 20 10 EFCDHN COc1cc(O)c(CN2CC3(CCC3)[C@H]2[C@H]2CCCO2)cc1OC ZINC000290913857 241022859 /nfs/dbraw/zinc/02/28/59/241022859.db2.gz NHKBCNCTLBJNOL-CRAIPNDOSA-N 0 3 333.428 2.943 20 10 EFCDHN C[C@H]([NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)CCO1)c1ccccc1[O-] ZINC000295969546 241070563 /nfs/dbraw/zinc/07/05/63/241070563.db2.gz NUXPZFKHYNSVLL-KBPBESRZSA-N 0 3 336.432 2.679 20 10 EFCDHN O=C(c1ccoc1)N1CCC([NH2+][C@H]2CCc3cccc([O-])c32)CC1 ZINC000296004247 241072853 /nfs/dbraw/zinc/07/28/53/241072853.db2.gz OOARYBSIUMELAV-INIZCTEOSA-N 0 3 326.396 2.867 20 10 EFCDHN [O-]c1cccc2c1[C@H]([NH2+]C1CCN([C@@H]3CCCC[C@H]3O)CC1)CC2 ZINC000296245744 241078309 /nfs/dbraw/zinc/07/83/09/241078309.db2.gz AYYQGYWWJRBPLI-KZNAEPCWSA-N 0 3 330.472 2.737 20 10 EFCDHN [O-]c1cccc2c1[C@H]([NH2+]C1CCN([C@H]3CCCC[C@H]3O)CC1)CC2 ZINC000296245724 241078709 /nfs/dbraw/zinc/07/87/09/241078709.db2.gz AYYQGYWWJRBPLI-FGTMMUONSA-N 0 3 330.472 2.737 20 10 EFCDHN O=C1[C@@H]([NH2+][C@@H]2CCc3cccc([O-])c32)CCCN1Cc1ccccn1 ZINC000296498363 241089104 /nfs/dbraw/zinc/08/91/04/241089104.db2.gz PZZDHEJGOXSALV-SJORKVTESA-N 0 3 337.423 2.555 20 10 EFCDHN O=C1COc2ccccc2N1CCC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000296979695 241105763 /nfs/dbraw/zinc/10/57/63/241105763.db2.gz RWLDXPUVSNWJCN-HNNXBMFYSA-N 0 3 338.407 2.785 20 10 EFCDHN Cc1cccc(C[N@H+]2C[C@H](c3cnn(C)c3)C3(C2)CCOCC3)c1[O-] ZINC000294706820 241049362 /nfs/dbraw/zinc/04/93/62/241049362.db2.gz BPZPSJYRDLQBQD-GOSISDBHSA-N 0 3 341.455 2.830 20 10 EFCDHN Cc1cccc(C[N@@H+]2C[C@H](c3cnn(C)c3)C3(C2)CCOCC3)c1[O-] ZINC000294706820 241049368 /nfs/dbraw/zinc/04/93/68/241049368.db2.gz BPZPSJYRDLQBQD-GOSISDBHSA-N 0 3 341.455 2.830 20 10 EFCDHN Cc1cccc(C[N@H+]2C[C@@H](c3cnn(C)c3)C3(C2)CCOCC3)c1[O-] ZINC000294706824 241050433 /nfs/dbraw/zinc/05/04/33/241050433.db2.gz BPZPSJYRDLQBQD-SFHVURJKSA-N 0 3 341.455 2.830 20 10 EFCDHN Cc1cccc(C[N@@H+]2C[C@@H](c3cnn(C)c3)C3(C2)CCOCC3)c1[O-] ZINC000294706824 241050437 /nfs/dbraw/zinc/05/04/37/241050437.db2.gz BPZPSJYRDLQBQD-SFHVURJKSA-N 0 3 341.455 2.830 20 10 EFCDHN CC(C)(C)OC(=O)N1CCO[C@@H](C[NH2+][C@@H]2CCc3cccc([O-])c32)C1 ZINC000295874251 241065416 /nfs/dbraw/zinc/06/54/16/241065416.db2.gz GMUYNKMOGPIAHV-LSDHHAIUSA-N 0 3 348.443 2.605 20 10 EFCDHN CC(C)C[C@H]1OCCC[C@H]1NCC(=O)NCc1ccc(N(C)C)cc1 ZINC000299388057 241174432 /nfs/dbraw/zinc/17/44/32/241174432.db2.gz RIAAITKAMWEJJQ-RTBURBONSA-N 0 3 347.503 2.552 20 10 EFCDHN Cc1c2ccccc2n(C)c1CNC(=O)N1CCN(C)CC[C@@H]1C ZINC000350284609 241881903 /nfs/dbraw/zinc/88/19/03/241881903.db2.gz FCVHMVVYYWVYQU-AWEZNQCLSA-N 0 3 328.460 2.722 20 10 EFCDHN [O-]c1cc2c(cc1C[NH+]1CCC(Cc3cccnc3)CC1)OCO2 ZINC000360813827 242210438 /nfs/dbraw/zinc/21/04/38/242210438.db2.gz YHOITDDHZYBHIV-UHFFFAOYSA-N 0 3 326.396 2.971 20 10 EFCDHN C[C@@H]([NH2+]CC(=O)N[C@@H]1CCOc2ccccc21)c1ccccc1[O-] ZINC000362261490 242250015 /nfs/dbraw/zinc/25/00/15/242250015.db2.gz PEUHXQXAEMSJQC-CZUORRHYSA-N 0 3 326.396 2.683 20 10 EFCDHN C[C@@H]([NH2+]CC(=O)N[C@H]1CCOc2ccccc21)c1ccccc1[O-] ZINC000362261489 242250463 /nfs/dbraw/zinc/25/04/63/242250463.db2.gz PEUHXQXAEMSJQC-CJNGLKHVSA-N 0 3 326.396 2.683 20 10 EFCDHN Cc1nccnc1N1CC[NH+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000367004709 242372055 /nfs/dbraw/zinc/37/20/55/242372055.db2.gz NOAQJBSHNOJIGS-UHFFFAOYSA-N 0 3 334.423 2.966 20 10 EFCDHN C[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000273606691 296119204 /nfs/dbraw/zinc/11/92/04/296119204.db2.gz UHSUQTXRLXXEAF-SNVBAGLBSA-N 0 3 333.259 2.806 20 10 EFCDHN C[C@@H](NCCC(=O)OC(C)(C)C)c1ccc(N2CCOCC2)cc1 ZINC000163546436 533373088 /nfs/dbraw/zinc/37/30/88/533373088.db2.gz BEYXKFXRMRUOJS-OAHLLOKOSA-N 0 3 334.460 2.906 20 10 EFCDHN [O-]c1cccc(Cl)c1C[NH2+]C[C@@H](O)CN1CCc2ccccc2C1 ZINC000113320617 544569128 /nfs/dbraw/zinc/56/91/28/544569128.db2.gz OGSABYMZGCNRFL-MRXNPFEDSA-N 0 3 346.858 2.554 20 10 EFCDHN CS(=O)(=O)Cc1ccc(C[NH2+][C@H]2CCc3cccc([O-])c32)cc1 ZINC000296123308 278108592 /nfs/dbraw/zinc/10/85/92/278108592.db2.gz VMDVOZTZTGAIIG-INIZCTEOSA-N 0 3 331.437 2.714 20 10 EFCDHN C[C@H](C[NH2+][C@H](C)c1cc(Cl)ccc1[O-])CN1CCN(C)CC1 ZINC000185343706 473398868 /nfs/dbraw/zinc/39/88/68/473398868.db2.gz MBZPCXTXBGMPQL-ZIAGYGMSSA-N 0 3 325.884 2.580 20 10 EFCDHN COc1ccc([O-])c([C@H](C)[NH2+]CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)c1 ZINC000184912632 473271658 /nfs/dbraw/zinc/27/16/58/473271658.db2.gz MMNMIDDRBBPZII-KKUMJFAQSA-N 0 3 336.476 2.939 20 10 EFCDHN COc1ccc([O-])c([C@H](C)[NH2+]CC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000184912622 473271918 /nfs/dbraw/zinc/27/19/18/473271918.db2.gz MMNMIDDRBBPZII-ZNMIVQPWSA-N 0 3 336.476 2.939 20 10 EFCDHN CC(C)[C@H](C[NH2+][C@H](C)c1cc(Cl)ccc1[O-])N1CCN(C)CC1 ZINC000184976998 473288987 /nfs/dbraw/zinc/28/89/87/473288987.db2.gz MSDMICLADWHTOF-PBHICJAKSA-N 0 3 339.911 2.968 20 10 EFCDHN C[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)c1cc(Cl)ccc1[O-] ZINC000184983044 473291592 /nfs/dbraw/zinc/29/15/92/473291592.db2.gz JEMZXXZYDXJCRZ-CYBMUJFWSA-N 0 3 325.884 2.722 20 10 EFCDHN C[C@H]([NH2+]Cc1cccnc1N1CCN(C)CC1)c1cc(F)ccc1[O-] ZINC000185166121 473348947 /nfs/dbraw/zinc/34/89/47/473348947.db2.gz HLWQOTDJRIXERM-AWEZNQCLSA-N 0 3 344.434 2.529 20 10 EFCDHN C[C@@H](NCC(=O)NCC(F)(F)F)c1cc2c(cc1O)CCCC2 ZINC000185179515 473352752 /nfs/dbraw/zinc/35/27/52/473352752.db2.gz GCXRIZHGJHNDSY-SNVBAGLBSA-N 0 3 330.350 2.600 20 10 EFCDHN CC[C@H]([NH2+]C[C@@]1(N2CCOCC2)CCSC1)c1ccccc1[O-] ZINC000185209711 473362712 /nfs/dbraw/zinc/36/27/12/473362712.db2.gz LRRAEXLTJGZUST-WMZOPIPTSA-N 0 3 336.501 2.641 20 10 EFCDHN C[C@@H]([NH2+]Cc1cccc(CS(C)(=O)=O)c1)c1cc(F)ccc1[O-] ZINC000185263783 473379704 /nfs/dbraw/zinc/37/97/04/473379704.db2.gz ODHNQMVSENMXPM-GFCCVEGCSA-N 0 3 337.416 2.927 20 10 EFCDHN COc1cc(CNCc2ccc(N(C)C)c(F)c2)cc(OC)c1O ZINC000113332539 473385272 /nfs/dbraw/zinc/38/52/72/473385272.db2.gz JDTQVLLRQKENIO-UHFFFAOYSA-N 0 3 334.391 2.904 20 10 EFCDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000085391987 472241261 /nfs/dbraw/zinc/24/12/61/472241261.db2.gz RMRJLVAJHPCCCU-LPHOPBHVSA-N 0 3 344.503 2.768 20 10 EFCDHN CSC[C@@H]1CCCN1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000128136675 472407092 /nfs/dbraw/zinc/40/70/92/472407092.db2.gz YKAODLQXDXXGQB-KRWDZBQOSA-N 0 3 335.517 2.538 20 10 EFCDHN CC(C)N1CCCN(C(=O)NCc2ccc(N(C)C)c(F)c2)CC1 ZINC000069821455 472443124 /nfs/dbraw/zinc/44/31/24/472443124.db2.gz IIGQLZMYFJPOMG-UHFFFAOYSA-N 0 3 336.455 2.517 20 10 EFCDHN COc1ccc(N2CCCN(Cc3c(C)nn(C)c3C)CC2)cc1 ZINC000154935548 472488953 /nfs/dbraw/zinc/48/89/53/472488953.db2.gz JBYRKZDALLRVFH-UHFFFAOYSA-N 0 3 328.460 2.758 20 10 EFCDHN CCN1CCN(c2ccc(CN[C@H](C)c3cnn(C)c3)cc2F)CC1 ZINC000155285681 472528163 /nfs/dbraw/zinc/52/81/63/472528163.db2.gz MFQDZTGAMGHFGX-OAHLLOKOSA-N 0 3 345.466 2.552 20 10 EFCDHN CCN1CCN(c2ccc(CNCc3cccn3C)cc2F)CC1 ZINC000119139902 472530925 /nfs/dbraw/zinc/53/09/25/472530925.db2.gz PIFNVABMIYAZGE-UHFFFAOYSA-N 0 3 330.451 2.596 20 10 EFCDHN CC1CCN(CCNC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000046370262 472549346 /nfs/dbraw/zinc/54/93/46/472549346.db2.gz ZOJNIGLNPNUSTI-UHFFFAOYSA-N 0 3 332.492 2.626 20 10 EFCDHN CCO[C@@H]1C[C@H](O)C12CCN(Cc1ccc(N(C)C)c(F)c1)CC2 ZINC000130231711 472592072 /nfs/dbraw/zinc/59/20/72/472592072.db2.gz SFKYQHQHPNJOHU-ZWKOTPCHSA-N 0 3 336.451 2.644 20 10 EFCDHN COc1ccc(CNC(=O)CN[C@H](C)c2cc(C)ccc2O)cc1 ZINC000120024073 472619071 /nfs/dbraw/zinc/61/90/71/472619071.db2.gz NMMMYKMFEANDIQ-CQSZACIVSA-N 0 3 328.412 2.676 20 10 EFCDHN CC[C@@H]([NH2+]CCNC(=O)c1ccc(OC)cc1)c1ccccc1[O-] ZINC000156456755 472710063 /nfs/dbraw/zinc/71/00/63/472710063.db2.gz ALCMECHKEAYXLV-QGZVFWFLSA-N 0 3 328.412 2.872 20 10 EFCDHN Cc1ccc([C@@H](CNCc2ccc(N(C)C)cc2)N2CCOCC2)o1 ZINC000073052061 472765415 /nfs/dbraw/zinc/76/54/15/472765415.db2.gz NOBDGTLKHACGRB-LJQANCHMSA-N 0 3 343.471 2.817 20 10 EFCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H]1C[C@H](O)c1ccco1)OCO2 ZINC000091958899 472831872 /nfs/dbraw/zinc/83/18/72/472831872.db2.gz ZLXYXNFARGBQRO-HIFRSBDPSA-N 0 3 331.368 2.802 20 10 EFCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccco1)OCO2 ZINC000091958899 472831880 /nfs/dbraw/zinc/83/18/80/472831880.db2.gz ZLXYXNFARGBQRO-HIFRSBDPSA-N 0 3 331.368 2.802 20 10 EFCDHN CN1CCC(C[N@H+](C)Cc2cc(Br)ccc2[O-])CC1 ZINC000134006156 472864044 /nfs/dbraw/zinc/86/40/44/472864044.db2.gz BXTRVQCRRREIQN-UHFFFAOYSA-N 0 3 327.266 2.928 20 10 EFCDHN CN1CCC(C[N@@H+](C)Cc2cc(Br)ccc2[O-])CC1 ZINC000134006156 472864053 /nfs/dbraw/zinc/86/40/53/472864053.db2.gz BXTRVQCRRREIQN-UHFFFAOYSA-N 0 3 327.266 2.928 20 10 EFCDHN COCCCN(Cc1ccncc1)Cc1cc2c(cc1O)OCO2 ZINC000106855953 472898372 /nfs/dbraw/zinc/89/83/72/472898372.db2.gz JLXVLQMHURYQGU-UHFFFAOYSA-N 0 3 330.384 2.555 20 10 EFCDHN Cc1ccc(O)c(CN2CCN(Cc3cn4ccccc4n3)CC2)c1 ZINC000121903204 472942192 /nfs/dbraw/zinc/94/21/92/472942192.db2.gz OYJMZEJRGSMUIK-UHFFFAOYSA-N 0 3 336.439 2.666 20 10 EFCDHN CCCC(=O)NC[C@H]1CCC[N@H+](Cc2cccc(OCC)c2[O-])C1 ZINC000092707675 472968686 /nfs/dbraw/zinc/96/86/86/472968686.db2.gz ANGJACLMADGVJR-OAHLLOKOSA-N 0 3 334.460 2.919 20 10 EFCDHN CCCC(=O)NC[C@H]1CCC[N@@H+](Cc2cccc(OCC)c2[O-])C1 ZINC000092707675 472968692 /nfs/dbraw/zinc/96/86/92/472968692.db2.gz ANGJACLMADGVJR-OAHLLOKOSA-N 0 3 334.460 2.919 20 10 EFCDHN CCOc1cccc(C[N@H+](CCC(N)=O)Cc2ccccc2)c1[O-] ZINC000122101497 472975815 /nfs/dbraw/zinc/97/58/15/472975815.db2.gz OXOFPLLBSGGGEE-UHFFFAOYSA-N 0 3 328.412 2.669 20 10 EFCDHN CCOc1cccc(C[N@@H+](CCC(N)=O)Cc2ccccc2)c1[O-] ZINC000122101497 472975821 /nfs/dbraw/zinc/97/58/21/472975821.db2.gz OXOFPLLBSGGGEE-UHFFFAOYSA-N 0 3 328.412 2.669 20 10 EFCDHN CCOc1cccc(CN(CCC(N)=O)Cc2ccccc2)c1O ZINC000122101497 472975828 /nfs/dbraw/zinc/97/58/28/472975828.db2.gz OXOFPLLBSGGGEE-UHFFFAOYSA-N 0 3 328.412 2.669 20 10 EFCDHN CN(C)c1ccc(CN2CCCN(Cc3cscn3)CC2)cc1 ZINC000093015730 473026588 /nfs/dbraw/zinc/02/65/88/473026588.db2.gz PBLQRMMTSPFZCC-UHFFFAOYSA-N 0 3 330.501 2.917 20 10 EFCDHN C[N@H+](CCC(=O)N1CCc2sccc2C1)Cc1ccccc1[O-] ZINC000109773813 473120496 /nfs/dbraw/zinc/12/04/96/473120496.db2.gz XUTLWXZWANGZDB-UHFFFAOYSA-N 0 3 330.453 2.861 20 10 EFCDHN C[N@@H+](CCC(=O)N1CCc2sccc2C1)Cc1ccccc1[O-] ZINC000109773813 473120500 /nfs/dbraw/zinc/12/05/00/473120500.db2.gz XUTLWXZWANGZDB-UHFFFAOYSA-N 0 3 330.453 2.861 20 10 EFCDHN CNC(=O)CC1CC[NH+](Cc2cc(Br)ccc2[O-])CC1 ZINC000093587642 473121558 /nfs/dbraw/zinc/12/15/58/473121558.db2.gz CUNCGUKQLFLBRB-UHFFFAOYSA-N 0 3 341.249 2.503 20 10 EFCDHN CCOc1cccc(C[NH+]2CCC3(CC2)[C@H](O)C[C@H]3OCC)c1[O-] ZINC000093613659 473125284 /nfs/dbraw/zinc/12/52/84/473125284.db2.gz UOQQSOPEZGBNDL-IAGOWNOFSA-N 0 3 335.444 2.543 20 10 EFCDHN CCOc1cccc(CNC(C)(C)C(=O)NCC2CCCC2)c1O ZINC000136028310 473129520 /nfs/dbraw/zinc/12/95/20/473129520.db2.gz FIAFLUCGGZERLI-UHFFFAOYSA-N 0 3 334.460 2.966 20 10 EFCDHN CCc1nsc(N2CCCN(Cc3cccc(OC)c3O)CC2)n1 ZINC000093871594 473157533 /nfs/dbraw/zinc/15/75/33/473157533.db2.gz CEKAQZNCMMBTDI-UHFFFAOYSA-N 0 3 348.472 2.527 20 10 EFCDHN C[C@@H]([NH2+]C[C@H](C)N1CCN(C)CC1)c1ccc2ccccc2c1[O-] ZINC000185364540 473407383 /nfs/dbraw/zinc/40/73/83/473407383.db2.gz AIVOLFJFRGBWGR-JKSUJKDBSA-N 0 3 327.472 2.832 20 10 EFCDHN C[C@@H]([NH2+]C[C@H](O)COc1ccc(F)c(F)c1)c1cc(F)ccc1[O-] ZINC000185375377 473409969 /nfs/dbraw/zinc/40/99/69/473409969.db2.gz QHWZONQKUBQFLZ-PWSUYJOCSA-N 0 3 341.329 2.900 20 10 EFCDHN C[C@@H](CN1CCN(C)CC1)[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000185392430 473414264 /nfs/dbraw/zinc/41/42/64/473414264.db2.gz MXVLQJVZBSXBOG-HOTGVXAUSA-N 0 3 327.472 2.832 20 10 EFCDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@H]2CCN(c3ncccc3F)C2)c1 ZINC000185686846 473488819 /nfs/dbraw/zinc/48/88/19/473488819.db2.gz GBJYBAIOXGQRRP-OLZOCXBDSA-N 0 3 331.391 2.864 20 10 EFCDHN Cc1nn(C)cc1[C@H](C)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000178665416 473543092 /nfs/dbraw/zinc/54/30/92/473543092.db2.gz AZVATVRXYWYJFD-GJZGRUSLSA-N 0 3 328.460 2.977 20 10 EFCDHN Cc1ccc([C@@H](C)[NH2+][C@H]2CCCN(CC(F)(F)F)C2=O)c([O-])c1 ZINC000186144460 473599627 /nfs/dbraw/zinc/59/96/27/473599627.db2.gz JEMFGOBVJARRPF-YPMHNXCESA-N 0 3 330.350 2.905 20 10 EFCDHN Cc1c(/C=C/C(=O)N2C[C@H]3CCCN3Cc3ccccc32)cnn1C ZINC000179073416 473623132 /nfs/dbraw/zinc/62/31/32/473623132.db2.gz OPBFTHVKEHZARP-QZEKMECESA-N 0 3 336.439 2.753 20 10 EFCDHN O=C(Nc1ccccc1O)C1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000179587589 473697290 /nfs/dbraw/zinc/69/72/90/473697290.db2.gz LWMUHINRQTYIHS-UHFFFAOYSA-N 0 3 326.396 2.949 20 10 EFCDHN COc1ccc([O-])c(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC000179617062 473698224 /nfs/dbraw/zinc/69/82/24/473698224.db2.gz XAKTYZMNHUKDQQ-UHFFFAOYSA-N 0 3 342.439 2.869 20 10 EFCDHN COc1ccc([O-])c(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC000179617062 473698226 /nfs/dbraw/zinc/69/82/26/473698226.db2.gz XAKTYZMNHUKDQQ-UHFFFAOYSA-N 0 3 342.439 2.869 20 10 EFCDHN COc1ccc(O)c(CN(C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC000179617062 473698228 /nfs/dbraw/zinc/69/82/28/473698228.db2.gz XAKTYZMNHUKDQQ-UHFFFAOYSA-N 0 3 342.439 2.869 20 10 EFCDHN COc1ccc([O-])c(C[NH+]2CCC(C(=O)N3CCC[C@H](C)C3)CC2)c1 ZINC000179767346 473721743 /nfs/dbraw/zinc/72/17/43/473721743.db2.gz MVYPZVSFWVPKEH-HNNXBMFYSA-N 0 3 346.471 2.871 20 10 EFCDHN COc1ccc(O)c(CN2CCC(C(=O)N3CCC[C@H](C)C3)CC2)c1 ZINC000179767346 473721752 /nfs/dbraw/zinc/72/17/52/473721752.db2.gz MVYPZVSFWVPKEH-HNNXBMFYSA-N 0 3 346.471 2.871 20 10 EFCDHN CCN(Cc1cc(Br)ccc1[O-])C(=O)C[NH2+]CC1CC1 ZINC000269246006 473747519 /nfs/dbraw/zinc/74/75/19/473747519.db2.gz PMBSTBLANHBOJZ-UHFFFAOYSA-N 0 3 341.249 2.503 20 10 EFCDHN COc1ccccc1N1CC[C@H]([NH2+][C@H](C)c2ccccc2[O-])C1=O ZINC000179888770 473749633 /nfs/dbraw/zinc/74/96/33/473749633.db2.gz BUOKMEQQJHDNKB-HIFRSBDPSA-N 0 3 326.396 2.857 20 10 EFCDHN C[C@@H](CN(C)C)NC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000287862468 473781252 /nfs/dbraw/zinc/78/12/52/473781252.db2.gz WOYKQFFHSHLSPU-INIZCTEOSA-N 0 3 332.492 2.672 20 10 EFCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CCNC(=O)C2CC2)c1[O-] ZINC000186926243 473783148 /nfs/dbraw/zinc/78/31/48/473783148.db2.gz XEXIIRYXAHFTMD-JTQLQIEISA-N 0 3 341.249 2.640 20 10 EFCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CCCC(=O)N(C)C)c1[O-] ZINC000187097240 473817300 /nfs/dbraw/zinc/81/73/00/473817300.db2.gz ISXMCDWJFVAVLJ-LLVKDONJSA-N 0 3 343.265 2.982 20 10 EFCDHN C[C@@H]1C[C@H](NC(=O)c2cccc(O)c2[O-])CC[N@@H+]1Cc1ccccc1 ZINC000187171136 473831191 /nfs/dbraw/zinc/83/11/91/473831191.db2.gz JYCLSZKVYNFZMK-GDBMZVCRSA-N 0 3 340.423 2.881 20 10 EFCDHN C[C@@H]1C[C@H](NC(=O)c2cccc(O)c2[O-])CC[N@H+]1Cc1ccccc1 ZINC000187171136 473831196 /nfs/dbraw/zinc/83/11/96/473831196.db2.gz JYCLSZKVYNFZMK-GDBMZVCRSA-N 0 3 340.423 2.881 20 10 EFCDHN Cc1ccc([C@@H](C[NH2+]Cc2cc(F)ccc2[O-])N2CCOCC2)o1 ZINC000180411848 473871401 /nfs/dbraw/zinc/87/14/01/473871401.db2.gz PQCWZOXEWXYVLC-MRXNPFEDSA-N 0 3 334.391 2.596 20 10 EFCDHN O=C(CCC[NH2+]Cc1cc(F)ccc1[O-])N1Cc2ccccc2C1 ZINC000180763899 473958728 /nfs/dbraw/zinc/95/87/28/473958728.db2.gz RKRMCXILADLNEE-UHFFFAOYSA-N 0 3 328.387 2.944 20 10 EFCDHN C[C@@H](CNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)N(C)C1CC1 ZINC000264281083 473959788 /nfs/dbraw/zinc/95/97/88/473959788.db2.gz JRXUHXZSVVWGKE-HNNXBMFYSA-N 0 3 344.503 2.909 20 10 EFCDHN CCN(C)C(=O)[C@@H](C)[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000188046659 473963240 /nfs/dbraw/zinc/96/32/40/473963240.db2.gz WEKYYEOGJLJXGG-OAHLLOKOSA-N 0 3 342.439 2.928 20 10 EFCDHN COc1cccc(C[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)c1[O-] ZINC000264378717 473970088 /nfs/dbraw/zinc/97/00/88/473970088.db2.gz NTPNLAQBCSUTQF-UHFFFAOYSA-N 0 3 336.432 2.890 20 10 EFCDHN COc1cc(O)c(CN(CCO)Cc2ccc(C)cc2)cc1OC ZINC000180847759 473976395 /nfs/dbraw/zinc/97/63/95/473976395.db2.gz SLOFCJQEUCDFBW-UHFFFAOYSA-N 0 3 331.412 2.712 20 10 EFCDHN CN(C)CCN(Cc1cccs1)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180853334 473978260 /nfs/dbraw/zinc/97/82/60/473978260.db2.gz STNBWWVKPVVSMY-SOFGYWHQSA-N 0 3 346.452 2.763 20 10 EFCDHN COC(=O)COc1ccc(CN(C)Cc2cccc(OC)c2O)cc1 ZINC000274893892 474003375 /nfs/dbraw/zinc/00/33/75/474003375.db2.gz FEJOOBMJQIOABO-UHFFFAOYSA-N 0 3 345.395 2.585 20 10 EFCDHN CN(C)c1ccc(CNCC2([S@@](C)=O)CC2)c(C(F)(F)F)c1 ZINC000282298175 474013329 /nfs/dbraw/zinc/01/33/29/474013329.db2.gz JODKDTGQOHRCQW-JOCHJYFZSA-N 0 3 334.407 2.772 20 10 EFCDHN COc1ccc([O-])c(C[NH2+]CCc2nc3c(cccc3F)n2C)c1 ZINC000181286267 474021003 /nfs/dbraw/zinc/02/10/03/474021003.db2.gz NOJLGRXETOHNCE-UHFFFAOYSA-N 0 3 329.375 2.759 20 10 EFCDHN COCCCOCC[N@H+](C)Cc1cc(Br)cc(C)c1[O-] ZINC000181521045 474043012 /nfs/dbraw/zinc/04/30/12/474043012.db2.gz QPYKFKCREIRMQC-UHFFFAOYSA-N 0 3 346.265 2.948 20 10 EFCDHN COCCCOCC[N@@H+](C)Cc1cc(Br)cc(C)c1[O-] ZINC000181521045 474043018 /nfs/dbraw/zinc/04/30/18/474043018.db2.gz QPYKFKCREIRMQC-UHFFFAOYSA-N 0 3 346.265 2.948 20 10 EFCDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000181317547 474024870 /nfs/dbraw/zinc/02/48/70/474024870.db2.gz GFHIFEFSUJYKCS-SLZMIMFISA-N 0 3 340.423 2.748 20 10 EFCDHN CN(C)c1ccc(CNC(=O)N2CC[C@H](N3CCCCC3)C2)cc1F ZINC000264529439 474025556 /nfs/dbraw/zinc/02/55/56/474025556.db2.gz YFACBOXXZYZQMK-INIZCTEOSA-N 0 3 348.466 2.662 20 10 EFCDHN CCCCN(Cc1ccccc1O)[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000282358972 474036154 /nfs/dbraw/zinc/03/61/54/474036154.db2.gz DBIKCJPGBSFBIE-QGZVFWFLSA-N 0 3 342.443 2.533 20 10 EFCDHN CCCC[N@H+](Cc1ccccc1[O-])[C@H](C)C(=O)NC[C@H]1CCCO1 ZINC000282445795 474068834 /nfs/dbraw/zinc/06/88/34/474068834.db2.gz LIRNGQLMDACPLJ-NVXWUHKLSA-N 0 3 334.460 2.678 20 10 EFCDHN CCCC[N@@H+](Cc1ccccc1[O-])[C@H](C)C(=O)NC[C@H]1CCCO1 ZINC000282445795 474068839 /nfs/dbraw/zinc/06/88/39/474068839.db2.gz LIRNGQLMDACPLJ-NVXWUHKLSA-N 0 3 334.460 2.678 20 10 EFCDHN CCCC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccccc1[O-] ZINC000282454373 474072473 /nfs/dbraw/zinc/07/24/73/474072473.db2.gz MCCGDVGODAFAOV-UHFFFAOYSA-N 0 3 345.399 2.764 20 10 EFCDHN CCCC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccccc1[O-] ZINC000282454373 474072483 /nfs/dbraw/zinc/07/24/83/474072483.db2.gz MCCGDVGODAFAOV-UHFFFAOYSA-N 0 3 345.399 2.764 20 10 EFCDHN COc1cc(O)c(CN[C@H](C[S@](C)=O)c2ccccc2)cc1OC ZINC000182095527 474098778 /nfs/dbraw/zinc/09/87/78/474098778.db2.gz CMHQEHMYYZOFAT-MYYSRTQBSA-N 0 3 349.452 2.619 20 10 EFCDHN Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NCc1ccc2c(c1)CCO2 ZINC000275260269 474122122 /nfs/dbraw/zinc/12/21/22/474122122.db2.gz HUWNEGMZBINDTP-LPHOPBHVSA-N 0 3 327.428 2.592 20 10 EFCDHN COC[C@@H](CCO)[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-] ZINC000275378021 474164007 /nfs/dbraw/zinc/16/40/07/474164007.db2.gz WYYVSDKSJJPIOC-ZYHUDNBSSA-N 0 3 332.238 2.511 20 10 EFCDHN COc1ccc(O)c([C@@H](C)NCC(=O)N(C)Cc2ccccc2)c1 ZINC000182405012 474167467 /nfs/dbraw/zinc/16/74/67/474167467.db2.gz JYFONZXEGXXCQJ-CQSZACIVSA-N 0 3 328.412 2.710 20 10 EFCDHN COc1ccc(O)c([C@@H](C)NCc2cccc(C(=O)N(C)C)c2)c1 ZINC000182463319 474181893 /nfs/dbraw/zinc/18/18/93/474181893.db2.gz HYXJLQRKPPNDRB-CYBMUJFWSA-N 0 3 328.412 2.953 20 10 EFCDHN COc1ccc([O-])c(C[NH2+]CC2CCN(CC(F)(F)F)CC2)c1 ZINC000188749112 474183256 /nfs/dbraw/zinc/18/32/56/474183256.db2.gz JMSCZSXBHRJKIH-UHFFFAOYSA-N 0 3 332.366 2.765 20 10 EFCDHN CCOc1ccc([O-])c(C[NH2+][C@H]2CCO[C@@H]2c2nccn2CC)c1 ZINC000275448101 474189190 /nfs/dbraw/zinc/18/91/90/474189190.db2.gz GIRSTYSOPNROEF-RDJZCZTQSA-N 0 3 331.416 2.627 20 10 EFCDHN CCN(CC)c1ccc(CN[C@@H]2CCCC[C@@H]2S(C)(=O)=O)cc1 ZINC000182501322 474191810 /nfs/dbraw/zinc/19/18/10/474191810.db2.gz PNVJRECKEUFQGR-MSOLQXFVSA-N 0 3 338.517 2.978 20 10 EFCDHN CC[C@@H](C(=O)N(C)Cc1ccc(N2CCOCC2)cc1)N(CC)CC ZINC000265424150 474208478 /nfs/dbraw/zinc/20/84/78/474208478.db2.gz KCIXHQWOGOQWIV-IBGZPJMESA-N 0 3 347.503 2.602 20 10 EFCDHN COc1ccc([O-])c(C[NH2+]C[C@H]2CC(=O)N(Cc3ccccc3)C2)c1 ZINC000182671881 474229792 /nfs/dbraw/zinc/22/97/92/474229792.db2.gz ZODRXQZNFQOZNW-MRXNPFEDSA-N 0 3 340.423 2.539 20 10 EFCDHN [O-]c1ccc(Br)cc1C[NH2+][C@H]1CCN2CCCC[C@@H]12 ZINC000227437683 474246687 /nfs/dbraw/zinc/24/66/87/474246687.db2.gz WXMSVDHVYPTOFA-KBPBESRZSA-N 0 3 325.250 2.871 20 10 EFCDHN COc1ccc(NC(=O)C[C@H](C)[NH2+]Cc2cccc(OC)c2[O-])cc1 ZINC000289408148 474259131 /nfs/dbraw/zinc/25/91/31/474259131.db2.gz HMGSIWYKXHYYOF-ZDUSSCGKSA-N 0 3 344.411 2.916 20 10 EFCDHN CN(CC[N@H+](C)C1CCN(C)CC1)Cc1c([O-])cccc1Cl ZINC000289426986 474264911 /nfs/dbraw/zinc/26/49/11/474264911.db2.gz JYDDKTJWVDJYPN-UHFFFAOYSA-N 0 3 325.884 2.503 20 10 EFCDHN CN(CC[N@@H+](C)C1CCN(C)CC1)Cc1c([O-])cccc1Cl ZINC000289426986 474264918 /nfs/dbraw/zinc/26/49/18/474264918.db2.gz JYDDKTJWVDJYPN-UHFFFAOYSA-N 0 3 325.884 2.503 20 10 EFCDHN CC(C)(C)NS(=O)(=O)c1ccccc1CNCc1ccccc1O ZINC000236670465 474279072 /nfs/dbraw/zinc/27/90/72/474279072.db2.gz BUTGCMJWEZSLGF-UHFFFAOYSA-N 0 3 348.468 2.759 20 10 EFCDHN Cc1ccc([O-])c(C[NH2+][C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)c1 ZINC000265780840 474333810 /nfs/dbraw/zinc/33/38/10/474333810.db2.gz OHEFUVQFNRLJCE-QUCCMNQESA-N 0 3 340.467 2.673 20 10 EFCDHN C[C@@H](NCC(=O)N1CCOCC1)c1ccc(N2CCCCCC2)cc1 ZINC000183353577 474374973 /nfs/dbraw/zinc/37/49/73/474374973.db2.gz WRIQLDBAMOHPPK-QGZVFWFLSA-N 0 3 345.487 2.576 20 10 EFCDHN C[C@H]([NH2+]CCNc1nccc(C(F)(F)F)n1)c1ccccc1[O-] ZINC000183521406 474389070 /nfs/dbraw/zinc/38/90/70/474389070.db2.gz BXFXJPGKBWJHEK-JTQLQIEISA-N 0 3 326.322 2.964 20 10 EFCDHN COc1cccc(C[NH2+]CC2CCN(CC(F)(F)F)CC2)c1[O-] ZINC000189465489 474408545 /nfs/dbraw/zinc/40/85/45/474408545.db2.gz OWTGLYBVVNNAGX-UHFFFAOYSA-N 0 3 332.366 2.765 20 10 EFCDHN COc1cccc(CN2CCN(C(C)=O)C3(CCCCC3)C2)c1O ZINC000271224783 474450201 /nfs/dbraw/zinc/45/02/01/474450201.db2.gz ACMUEVWLFPBMSG-UHFFFAOYSA-N 0 3 332.444 2.768 20 10 EFCDHN CN(C)c1ccc(CN2CCC[C@@H]([C@H](O)c3nccn3C)C2)cc1F ZINC000271276147 474470592 /nfs/dbraw/zinc/47/05/92/474470592.db2.gz KZGNQEGQZIGJSU-QAPCUYQASA-N 0 3 346.450 2.571 20 10 EFCDHN CN(C)c1ccc(CN2CCC[C@H]([C@H](O)c3nccn3C)C2)cc1F ZINC000271276149 474470894 /nfs/dbraw/zinc/47/08/94/474470894.db2.gz KZGNQEGQZIGJSU-YJBOKZPZSA-N 0 3 346.450 2.571 20 10 EFCDHN Cc1cccc(C[NH2+]Cc2ccc(N3CCCS3(=O)=O)cc2)c1[O-] ZINC000184429885 474512805 /nfs/dbraw/zinc/51/28/05/474512805.db2.gz QXLIOSOBFPWVMF-UHFFFAOYSA-N 0 3 346.452 2.530 20 10 EFCDHN COc1ccc([C@@H](OC)[C@@H](C)[NH2+]Cc2cc3c(cc2[O-])OCO3)cc1 ZINC000271470798 474563035 /nfs/dbraw/zinc/56/30/35/474563035.db2.gz HCQZHTYRKCMMPI-BLVKFPJESA-N 0 3 345.395 2.995 20 10 EFCDHN CCn1nccc1N1CCC[C@@H](NCc2ccc(OC)c(C)c2)C1=O ZINC000276590357 474566600 /nfs/dbraw/zinc/56/66/00/474566600.db2.gz DICRVBCKEJIKIW-MRXNPFEDSA-N 0 3 342.443 2.505 20 10 EFCDHN Cc1cccc(C[NH2+][C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)c1[O-] ZINC000290316488 474566940 /nfs/dbraw/zinc/56/69/40/474566940.db2.gz CPHCOJMHAUEFKQ-VQTJNVASSA-N 0 3 340.467 2.673 20 10 EFCDHN COc1cc([O-])c(C[NH2+]CC[C@](C)(O)c2ccccc2)cc1OC ZINC000190274191 474572139 /nfs/dbraw/zinc/57/21/39/474572139.db2.gz BGLFRVQDIPTWLS-IBGZPJMESA-N 0 3 331.412 2.797 20 10 EFCDHN CCCOc1ccc(CN2CCCN(CC(F)F)CC2)c(O)c1 ZINC000290436526 474572372 /nfs/dbraw/zinc/57/23/72/474572372.db2.gz LPVCLSQUTSXAEX-UHFFFAOYSA-N 0 3 328.403 2.954 20 10 EFCDHN Cc1cccc(C[N@@H+](C)C[C@@]2(O)CCN(Cc3ccccc3)C2)c1[O-] ZINC000190310314 474575747 /nfs/dbraw/zinc/57/57/47/474575747.db2.gz HDXAGJTWFLHYGC-NRFANRHFSA-N 0 3 340.467 2.769 20 10 EFCDHN Cc1cccc(C[N@H+](C)C[C@@]2(O)CCN(Cc3ccccc3)C2)c1[O-] ZINC000190310314 474575755 /nfs/dbraw/zinc/57/57/55/474575755.db2.gz HDXAGJTWFLHYGC-NRFANRHFSA-N 0 3 340.467 2.769 20 10 EFCDHN CN(C)c1ccc(CN(C)C(=O)NC[C@@H]2CCCCN2C2CC2)cc1 ZINC000277279604 474580654 /nfs/dbraw/zinc/58/06/54/474580654.db2.gz ANEYIJXGLWGJBX-IBGZPJMESA-N 0 3 344.503 2.911 20 10 EFCDHN C[C@H](N[C@@H](CO)C[C@@H](O)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000271527443 474581240 /nfs/dbraw/zinc/58/12/40/474581240.db2.gz QKHMSTNRRAWCEQ-QKYXUNIQSA-N 0 3 328.456 2.888 20 10 EFCDHN C[C@@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CCO1)c1ccccc1[O-] ZINC000271649446 474583310 /nfs/dbraw/zinc/58/33/10/474583310.db2.gz IRVJINZAUBTCEB-AEFFLSMTSA-N 0 3 326.440 2.944 20 10 EFCDHN CN(C)c1ccc(CNC(=O)NC[C@H]2CCCCN2C2CC2)cc1 ZINC000277709754 474593812 /nfs/dbraw/zinc/59/38/12/474593812.db2.gz HAJKLXUMWDIFJQ-GOSISDBHSA-N 0 3 330.476 2.569 20 10 EFCDHN Cc1cnccc1OC1CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000278008923 474599767 /nfs/dbraw/zinc/59/97/67/474599767.db2.gz FMMKLNZHJYQEJK-UHFFFAOYSA-N 0 3 342.395 2.868 20 10 EFCDHN CCOc1cccc(CN2CCC[C@H]([C@H](O)C(F)(F)F)C2)c1O ZINC000278340354 474615299 /nfs/dbraw/zinc/61/52/99/474615299.db2.gz HQRGDDUSOIXZKA-WFASDCNBSA-N 0 3 333.350 2.926 20 10 EFCDHN C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO)c1ccccc1[O-] ZINC000272819722 474626713 /nfs/dbraw/zinc/62/67/13/474626713.db2.gz FMBRSHZOKMFQPX-ILZDJORESA-N 0 3 340.467 2.926 20 10 EFCDHN CC(=O)N1CCC(N(Cc2cncs2)Cc2ccccc2O)CC1 ZINC000292881709 474693750 /nfs/dbraw/zinc/69/37/50/474693750.db2.gz XUEBMNZJHXYIPO-UHFFFAOYSA-N 0 3 345.468 2.862 20 10 EFCDHN CCC[NH+](CCC)CCCNCc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278624934 474741191 /nfs/dbraw/zinc/74/11/91/474741191.db2.gz GEHMMEPEXDPEBS-UHFFFAOYSA-N 0 3 339.436 2.911 20 10 EFCDHN COc1c([O-])c(C[NH2+]CCCN2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000278642865 474753265 /nfs/dbraw/zinc/75/32/65/474753265.db2.gz ICXQCMHVBQWRIU-UHFFFAOYSA-N 0 3 337.420 2.521 20 10 EFCDHN COc1c([O-])c(CNCCC[NH+]2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000278642865 474753275 /nfs/dbraw/zinc/75/32/75/474753275.db2.gz ICXQCMHVBQWRIU-UHFFFAOYSA-N 0 3 337.420 2.521 20 10 EFCDHN CCCOc1ccc(C[NH2+][C@H](CC(N)=O)c2ccccc2)c([O-])c1 ZINC000292999945 474759205 /nfs/dbraw/zinc/75/92/05/474759205.db2.gz MZHOSBTZOHEDHN-QGZVFWFLSA-N 0 3 328.412 2.887 20 10 EFCDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCS(=O)(=O)C1 ZINC000284765757 474759778 /nfs/dbraw/zinc/75/97/78/474759778.db2.gz MKRBCKBDENFSGZ-HNNXBMFYSA-N 0 3 325.474 2.819 20 10 EFCDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCS(=O)(=O)C1 ZINC000284765757 474759786 /nfs/dbraw/zinc/75/97/86/474759786.db2.gz MKRBCKBDENFSGZ-HNNXBMFYSA-N 0 3 325.474 2.819 20 10 EFCDHN C[C@@H]1CN(C2CCOCC2)CCN1Cc1ccc(N(C)C)c(F)c1 ZINC000278711489 474789631 /nfs/dbraw/zinc/78/96/31/474789631.db2.gz PWTAKIBGWVQSLU-OAHLLOKOSA-N 0 3 335.467 2.577 20 10 EFCDHN C[C@H]1CN(C2CCOCC2)CCN1Cc1ccc(N(C)C)c(F)c1 ZINC000278711485 474790462 /nfs/dbraw/zinc/79/04/62/474790462.db2.gz PWTAKIBGWVQSLU-HNNXBMFYSA-N 0 3 335.467 2.577 20 10 EFCDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000268136296 474818523 /nfs/dbraw/zinc/81/85/23/474818523.db2.gz JNNORTFPJGXLJW-HNAYVOBHSA-N 0 3 344.503 2.767 20 10 EFCDHN Cc1cc(N2CC[C@H](N[C@H](C)c3ccc(C)c(C)c3O)C2=O)n(C)n1 ZINC000273349490 474853996 /nfs/dbraw/zinc/85/39/96/474853996.db2.gz BLJIEXIHULRGBJ-ZBFHGGJFSA-N 0 3 342.443 2.507 20 10 EFCDHN COc1cc(C[NH2+][C@@H](C)c2ccc(C)cc2[O-])ccc1OCCO ZINC000273363717 474860028 /nfs/dbraw/zinc/86/00/28/474860028.db2.gz DMQHNEIRDGBICW-AWEZNQCLSA-N 0 3 331.412 2.931 20 10 EFCDHN C[C@H]([NH2+]Cc1ccc(CS(C)(=O)=O)cc1)c1cc(F)ccc1[O-] ZINC000273395023 474876251 /nfs/dbraw/zinc/87/62/51/474876251.db2.gz LTQNSYGXAHTOCH-LBPRGKRZSA-N 0 3 337.416 2.927 20 10 EFCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C[C@H](O)COc2ccc3c(c2)OCO3)c1 ZINC000273391882 474876280 /nfs/dbraw/zinc/87/62/80/474876280.db2.gz KVJSBXUYQFYXIH-KGLIPLIRSA-N 0 3 345.395 2.520 20 10 EFCDHN Cc1c(/C=C\C(=O)N2C[C@@H]3CCCN3Cc3ccccc32)cnn1C ZINC000255617152 474880663 /nfs/dbraw/zinc/88/06/63/474880663.db2.gz OPBFTHVKEHZARP-LPADLIQXSA-N 0 3 336.439 2.753 20 10 EFCDHN Cc1cc(C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)c(C)n1-c1ccccn1 ZINC000268238816 474880812 /nfs/dbraw/zinc/88/08/12/474880812.db2.gz OKPOERWMBFJJGH-FZKQIMNGSA-N 0 3 338.455 2.702 20 10 EFCDHN Cc1ccc(O)c([C@@H](C)NCCS(=O)(=O)Cc2ccccc2)c1 ZINC000273413812 474886308 /nfs/dbraw/zinc/88/63/08/474886308.db2.gz QHNFQMDEXRBCQW-OAHLLOKOSA-N 0 3 333.453 2.966 20 10 EFCDHN Cc1ccc([C@@H](C)[NH2+]CCc2ccc(S(N)(=O)=O)cc2)c([O-])c1C ZINC000273438461 474896519 /nfs/dbraw/zinc/89/65/19/474896519.db2.gz XSOKRWZIELRCLB-CQSZACIVSA-N 0 3 348.468 2.550 20 10 EFCDHN COc1ccc(O)c([C@H](C)N[C@@H]2CCN(Cc3ccccc3)C2=O)c1 ZINC000273464414 474913100 /nfs/dbraw/zinc/91/31/00/474913100.db2.gz IPKDDQPNSHMNNQ-KBXCAEBGSA-N 0 3 340.423 2.853 20 10 EFCDHN COc1ccc(O)c([C@@H](C)N[C@@H]2CCN(Cc3ccccc3)C2=O)c1 ZINC000273464417 474913655 /nfs/dbraw/zinc/91/36/55/474913655.db2.gz IPKDDQPNSHMNNQ-RDTXWAMCSA-N 0 3 340.423 2.853 20 10 EFCDHN COc1ccc(O)c([C@@H](C)N[C@H]2CCN(Cc3ccccc3)C2=O)c1 ZINC000273464415 474913745 /nfs/dbraw/zinc/91/37/45/474913745.db2.gz IPKDDQPNSHMNNQ-KDOFPFPSSA-N 0 3 340.423 2.853 20 10 EFCDHN Cc1ccc([C@@H](C)N[C@@H]2CCN(CC(F)(F)F)C2=O)c(O)c1C ZINC000273467666 474915558 /nfs/dbraw/zinc/91/55/58/474915558.db2.gz JAQSYWRVXOIUJG-DGCLKSJQSA-N 0 3 330.350 2.823 20 10 EFCDHN CCCOc1ccc(C[NH2+][C@@H]2C[C@@H](OCC)[C@]23CCCO3)c([O-])c1 ZINC000273568895 474966872 /nfs/dbraw/zinc/96/68/72/474966872.db2.gz GGOXRMOOSSBRCE-QRVBRYPASA-N 0 3 335.444 2.997 20 10 EFCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](O)c2cc(OC)cc(OC)c2)c1 ZINC000273591167 474979195 /nfs/dbraw/zinc/97/91/95/474979195.db2.gz PGVWCDGGVQXBJW-CWTRNNRKSA-N 0 3 347.411 2.802 20 10 EFCDHN Cc1ccc([C@@H](C)[NH2+]CCCN2CCC[C@H]2C(=O)N(C)C)c([O-])c1C ZINC000273604016 474986118 /nfs/dbraw/zinc/98/61/18/474986118.db2.gz SOEZMHSRAWLFMH-AEFFLSMTSA-N 0 3 347.503 2.602 20 10 EFCDHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C2CCN(C3CCC3)CC2)c1 ZINC000273610333 474990315 /nfs/dbraw/zinc/99/03/15/474990315.db2.gz VOECIMNPPYWVPH-ZDUSSCGKSA-N 0 3 332.444 2.846 20 10 EFCDHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2CCCN(C(C)C)C2)c1 ZINC000273622759 474994257 /nfs/dbraw/zinc/99/42/57/474994257.db2.gz ZOJGCTCLCDALJS-GJZGRUSLSA-N 0 3 334.460 2.950 20 10 EFCDHN CCN(Cc1ccccc1)c1ccc(CN[C@@H](CO)COC)cc1 ZINC000279835089 474995915 /nfs/dbraw/zinc/99/59/15/474995915.db2.gz QNCMXDYXWWURBL-IBGZPJMESA-N 0 3 328.456 2.810 20 10 EFCDHN C[C@H](N[C@@H]1CCCc2nn(C)cc21)c1ccc(N2CCOCC2)cc1 ZINC000280091985 475009102 /nfs/dbraw/zinc/00/91/02/475009102.db2.gz MLOMKRBUDDORGP-HNAYVOBHSA-N 0 3 340.471 2.985 20 10 EFCDHN COCCCN(CCO)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000280302674 475020076 /nfs/dbraw/zinc/02/00/76/475020076.db2.gz BIRMHYVTODUFAR-UHFFFAOYSA-N 0 3 334.382 2.602 20 10 EFCDHN Cc1cc(Br)cc(C[NH2+]CCc2nccnc2C)c1[O-] ZINC000293529337 475025050 /nfs/dbraw/zinc/02/50/50/475025050.db2.gz BRYAEEFHUYUDOT-UHFFFAOYSA-N 0 3 336.233 2.894 20 10 EFCDHN CCN1CCN(C[C@@H](C)C[NH2+][C@H](C)c2c(C)cc(C)cc2[O-])CC1 ZINC000293570242 475040440 /nfs/dbraw/zinc/04/04/40/475040440.db2.gz DJVSZHOVUMJDCM-FUHWJXTLSA-N 0 3 333.520 2.933 20 10 EFCDHN CC[C@H]([NH2+]C[C@@H](C(C)C)N1CCN(C)CC1)c1ccc(F)cc1[O-] ZINC000285760302 475040691 /nfs/dbraw/zinc/04/06/91/475040691.db2.gz SDCQUKHQEDEIHA-ROUUACIJSA-N 0 3 337.483 2.844 20 10 EFCDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@H](N2CCOCC2)C(F)(F)F)c1 ZINC000285773397 475041480 /nfs/dbraw/zinc/04/14/80/475041480.db2.gz UDQNCPRWAXXWNA-WFASDCNBSA-N 0 3 332.366 2.614 20 10 EFCDHN Cc1nccn1CCN[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000268798955 475042439 /nfs/dbraw/zinc/04/24/39/475042439.db2.gz IQWWVUKSUJNLBR-CQSZACIVSA-N 0 3 332.423 2.518 20 10 EFCDHN COc1ccc(NC(=O)C[C@H](C)[NH2+]Cc2ccccc2[O-])c(OC)c1 ZINC000268818392 475042979 /nfs/dbraw/zinc/04/29/79/475042979.db2.gz JENWYRORVSZDQU-ZDUSSCGKSA-N 0 3 344.411 2.916 20 10 EFCDHN CC[C@@H]([NH2+]C[C@H](N1CCOCC1)C(F)(F)F)c1ccccc1[O-] ZINC000285859337 475044080 /nfs/dbraw/zinc/04/40/80/475044080.db2.gz ZOHXNJFZAHBLNR-HIFRSBDPSA-N 0 3 332.366 2.696 20 10 EFCDHN CCCOc1ccc(C[NH2+][C@@H](C2CC2)C2(CO)CCOCC2)c([O-])c1 ZINC000293743484 475050733 /nfs/dbraw/zinc/05/07/33/475050733.db2.gz WBLDGXOMGPJDGE-IBGZPJMESA-N 0 3 349.471 2.838 20 10 EFCDHN Cc1cc(CN2CCN(C3CCOCC3)C[C@H]2C)ccc1N(C)C ZINC000294324047 475067209 /nfs/dbraw/zinc/06/72/09/475067209.db2.gz YDELLOUIHMUSPA-QGZVFWFLSA-N 0 3 331.504 2.746 20 10 EFCDHN COC1CCN(c2ccc(CN[C@@H](C)c3cnn(C)c3)cc2)CC1 ZINC000294893534 475090501 /nfs/dbraw/zinc/09/05/01/475090501.db2.gz DFHSAUGOMDMXDH-HNNXBMFYSA-N 0 3 328.460 2.886 20 10 EFCDHN C[C@@H](NC[C@@H]1CN(C)CCN1C)c1ccc(N2CCCCC2)c(F)c1 ZINC000268961082 475098067 /nfs/dbraw/zinc/09/80/67/475098067.db2.gz XISOEQYIGBDJJJ-SJLPKXTDSA-N 0 3 348.510 2.712 20 10 EFCDHN CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NCc1ccc2c(c1)CCO2 ZINC000295032024 475099149 /nfs/dbraw/zinc/09/91/49/475099149.db2.gz DGMIBUVTQKELTM-QLPKVWCKSA-N 0 3 330.428 2.576 20 10 EFCDHN CN(Cc1cccs1)c1ccc(CN[C@H]2CC(=O)N(C)C2)cc1 ZINC000295209475 475113243 /nfs/dbraw/zinc/11/32/43/475113243.db2.gz PXPVIMUOPLOBOT-HNNXBMFYSA-N 0 3 329.469 2.705 20 10 EFCDHN CCNC(=O)[C@H](C)NCc1ccc(N(C)Cc2cccs2)cc1 ZINC000295401246 475123813 /nfs/dbraw/zinc/12/38/13/475123813.db2.gz MDKAJOGSFPPOEW-AWEZNQCLSA-N 0 3 331.485 2.999 20 10 EFCDHN C[C@@H]1[C@@H](NC(=O)NCc2ccccc2O)CCN1Cc1ccccc1 ZINC000287452656 475153408 /nfs/dbraw/zinc/15/34/08/475153408.db2.gz IEAOOZRQTUZKCW-QAPCUYQASA-N 0 3 339.439 2.854 20 10 EFCDHN C[C@H]1[C@H](NC(=O)NCc2ccccc2O)CCN1Cc1ccccc1 ZINC000287452655 475153679 /nfs/dbraw/zinc/15/36/79/475153679.db2.gz IEAOOZRQTUZKCW-MAUKXSAKSA-N 0 3 339.439 2.854 20 10 EFCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@@H](O)COc1ccc(F)c(F)c1)CC2 ZINC000297606327 475826578 /nfs/dbraw/zinc/82/65/78/475826578.db2.gz IICRLJJVIGBNMU-WBMJQRKESA-N 0 3 335.350 2.687 20 10 EFCDHN Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000349702868 475987893 /nfs/dbraw/zinc/98/78/93/475987893.db2.gz NMTZYTDETNGJFO-UKRRQHHQSA-N 0 3 340.471 2.911 20 10 EFCDHN CC[C@@H](C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1)N(C)C ZINC000299102311 476135292 /nfs/dbraw/zinc/13/52/92/476135292.db2.gz WQTLQKTVQRTWEV-OALUTQOASA-N 0 3 347.503 2.600 20 10 EFCDHN COc1cc(CN(C)Cc2cc3c(cc2O)OCO3)cc(OC)c1 ZINC000299123529 476135803 /nfs/dbraw/zinc/13/58/03/476135803.db2.gz ANGHHZMXEJQIAS-UHFFFAOYSA-N 0 3 331.368 2.770 20 10 EFCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCc3nc(C)ncc3C2)c1[O-] ZINC000359959865 476276483 /nfs/dbraw/zinc/27/64/83/476276483.db2.gz XLQYHEONWWDBCH-CQSZACIVSA-N 0 3 333.819 2.800 20 10 EFCDHN Cn1cc(-c2ccccc2C[NH2+]Cc2cc3c(cc2[O-])OCO3)cn1 ZINC000372864720 476357862 /nfs/dbraw/zinc/35/78/62/476357862.db2.gz YFNXUDAHZCOVNF-UHFFFAOYSA-N 0 3 337.379 2.811 20 10 EFCDHN Cc1cc([O-])c(C[N@H+]2CCC[C@H]2C[C@H](O)c2cnn(C)c2)cc1C ZINC000374257938 476463807 /nfs/dbraw/zinc/46/38/07/476463807.db2.gz SOSXMBSKXXGZSV-HKUYNNGSSA-N 0 3 329.444 2.831 20 10 EFCDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@H]2C[C@H](O)c2cnn(C)c2)cc1C ZINC000374257938 476463813 /nfs/dbraw/zinc/46/38/13/476463813.db2.gz SOSXMBSKXXGZSV-HKUYNNGSSA-N 0 3 329.444 2.831 20 10 EFCDHN Cc1cccc(C[N@@H+]2CCCC[C@@H]2COC(=O)N[C@@H]2CCOC2)c1[O-] ZINC000377720497 476545233 /nfs/dbraw/zinc/54/52/33/476545233.db2.gz LTYRYFUWTJWCBS-IAGOWNOFSA-N 0 3 348.443 2.570 20 10 EFCDHN Cc1cccc(C[N@H+]2CCCC[C@@H]2COC(=O)N[C@@H]2CCOC2)c1[O-] ZINC000377720497 476545240 /nfs/dbraw/zinc/54/52/40/476545240.db2.gz LTYRYFUWTJWCBS-IAGOWNOFSA-N 0 3 348.443 2.570 20 10 EFCDHN CCOc1ccc([O-])c(C[NH+]2CCC(OC[C@H]3CCOC3)CC2)c1 ZINC000374909228 476588395 /nfs/dbraw/zinc/58/83/95/476588395.db2.gz JHNRTAXKOICVLL-HNNXBMFYSA-N 0 3 335.444 2.808 20 10 EFCDHN NC(=O)C[C@@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000377852989 476614221 /nfs/dbraw/zinc/61/42/21/476614221.db2.gz WBGVSXXVLBZLRW-INIZCTEOSA-N 0 3 340.423 2.669 20 10 EFCDHN NC(=O)C[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000377852989 476614224 /nfs/dbraw/zinc/61/42/24/476614224.db2.gz WBGVSXXVLBZLRW-INIZCTEOSA-N 0 3 340.423 2.669 20 10 EFCDHN C[C@H]1C[N@H+](Cc2cccc(Cl)c2[O-])CC[C@@H]1N1CCN(C)CC1 ZINC000375021050 476642214 /nfs/dbraw/zinc/64/22/14/476642214.db2.gz NVYHUSYLJXIYNI-YOEHRIQHSA-N 0 3 337.895 2.503 20 10 EFCDHN C[C@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])CC[C@@H]1N1CCN(C)CC1 ZINC000375021050 476642219 /nfs/dbraw/zinc/64/22/19/476642219.db2.gz NVYHUSYLJXIYNI-YOEHRIQHSA-N 0 3 337.895 2.503 20 10 EFCDHN C[C@H]1CN(Cc2cccc(Cl)c2[O-])CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000375021050 476642223 /nfs/dbraw/zinc/64/22/23/476642223.db2.gz NVYHUSYLJXIYNI-YOEHRIQHSA-N 0 3 337.895 2.503 20 10 EFCDHN CN(C)C[C@@H]1CN(C(=O)/C=C/c2cncc(F)c2)c2ccccc2O1 ZINC000370503542 476842854 /nfs/dbraw/zinc/84/28/54/476842854.db2.gz UVFYPKJRISRAFY-KXPUMZMLSA-N 0 3 341.386 2.590 20 10 EFCDHN C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2[O-])CC[C@@H]1N1CCN(C)CC1 ZINC000370705982 476944309 /nfs/dbraw/zinc/94/43/09/476944309.db2.gz KRZKKTPBJVOFOT-PBHICJAKSA-N 0 3 337.895 2.503 20 10 EFCDHN C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2[O-])CC[C@@H]1N1CCN(C)CC1 ZINC000370705982 476944312 /nfs/dbraw/zinc/94/43/12/476944312.db2.gz KRZKKTPBJVOFOT-PBHICJAKSA-N 0 3 337.895 2.503 20 10 EFCDHN CN(C)c1ccc(CNC(=O)N2CCCC23CCN(C)CC3)cc1F ZINC000371412066 477302517 /nfs/dbraw/zinc/30/25/17/477302517.db2.gz DLJQIDQFFAUYMI-UHFFFAOYSA-N 0 3 348.466 2.662 20 10 EFCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCCC[C@H]2N2CCOCC2)c1 ZINC000371834255 477517820 /nfs/dbraw/zinc/51/78/20/477517820.db2.gz IJQBEXLMWOCDKV-BMGDILEWSA-N 0 3 334.460 2.695 20 10 EFCDHN CCOc1cccc(CN2CCC[C@@H](N3CCCCC3=O)C2)c1O ZINC000372413703 477795117 /nfs/dbraw/zinc/79/51/17/477795117.db2.gz PKZHRESKWIQINS-MRXNPFEDSA-N 0 3 332.444 2.768 20 10 EFCDHN C[C@H]([NH2+]C[C@H]1CN2CCC[C@H]2CO1)c1cc2c(cc1[O-])CCCC2 ZINC000368324743 477797825 /nfs/dbraw/zinc/79/78/25/477797825.db2.gz UDSGKOIAHRKDNX-WBAXXEDZSA-N 0 3 330.472 2.785 20 10 EFCDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+]C[C@@H]1COCCN1 ZINC000530222561 477879226 /nfs/dbraw/zinc/87/92/26/477879226.db2.gz GFYCFYBJJJOLLN-MJGOQNOKSA-N 0 3 326.440 2.644 20 10 EFCDHN Cc1c2ccccc2n(C)c1CNC(=O)NC[C@H]1CCCN(C)C1 ZINC000526927796 478406795 /nfs/dbraw/zinc/40/67/95/478406795.db2.gz BLNQGXZIRZZMFB-OAHLLOKOSA-N 0 3 328.460 2.628 20 10 EFCDHN CCOc1ccc([O-])c(C[NH2+][C@]2(COC)COc3ccccc3C2)c1 ZINC000527799187 478524046 /nfs/dbraw/zinc/52/40/46/478524046.db2.gz JKKFNXNCZFPMGV-HXUWFJFHSA-N 0 3 343.423 2.901 20 10 EFCDHN CCOc1ccc(O)c(CN[C@]2(COC)COc3ccccc3C2)c1 ZINC000527799187 478524055 /nfs/dbraw/zinc/52/40/55/478524055.db2.gz JKKFNXNCZFPMGV-HXUWFJFHSA-N 0 3 343.423 2.901 20 10 EFCDHN COc1cncc(/C=C/C(=O)N(CCN(C)C)c2ccccc2)c1 ZINC000492402871 478969052 /nfs/dbraw/zinc/96/90/52/478969052.db2.gz BMLCGLQFQQQYBW-MDZDMXLPSA-N 0 3 325.412 2.698 20 10 EFCDHN C[C@@H]1CN(C(=O)c2cccc3c2CCNC3)c2ccc(F)cc2O1 ZINC000662630706 481906550 /nfs/dbraw/zinc/90/65/50/481906550.db2.gz HSCMMTCDGLMMEW-GFCCVEGCSA-N 0 3 326.371 2.899 20 10 EFCDHN COc1ccc(O)c([C@H](C)N[C@H]2CCN(c3ccccc3F)C2=O)c1 ZINC000182412971 534205649 /nfs/dbraw/zinc/20/56/49/534205649.db2.gz PUSYPUWEXZZRHD-LRDDRELGSA-N 0 3 344.386 2.996 20 10 EFCDHN CCCNC(=O)CN1CCC([NH2+][C@H](C)c2ccc(C)c(C)c2[O-])CC1 ZINC000273398433 535068225 /nfs/dbraw/zinc/06/82/25/535068225.db2.gz MOWJVIHLTYUJQA-MRXNPFEDSA-N 0 3 347.503 2.650 20 10 EFCDHN CCC[C@@H](N)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000237004243 535347272 /nfs/dbraw/zinc/34/72/72/535347272.db2.gz FIRXUXNVVQOQBU-SWLSCSKDSA-N 0 3 341.402 2.500 20 10 EFCDHN CCOc1cccc(CNCC(=O)N2CCCc3ccccc32)c1O ZINC000236893235 535456997 /nfs/dbraw/zinc/45/69/97/535456997.db2.gz KBONWWKPGKURNL-UHFFFAOYSA-N 0 3 340.423 2.860 20 10 EFCDHN CCOc1cccc(C[NH2+]CC2(N3CCOCC3)CCCCC2)c1[O-] ZINC000236893648 535459167 /nfs/dbraw/zinc/45/91/67/535459167.db2.gz LIZXHZOINQPNIN-UHFFFAOYSA-N 0 3 348.487 2.916 20 10 EFCDHN CCOC1CC(C[NH2+][C@@H](C)c2cc(C)ccc2[O-])(N2CCOCC2)C1 ZINC000193407712 535757674 /nfs/dbraw/zinc/75/76/74/535757674.db2.gz IMLQDEPXNIQZSX-VXESANQCSA-N 0 3 348.487 2.621 20 10 EFCDHN CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H]2CCc3cccc([O-])c32)cc1 ZINC000295942005 536322102 /nfs/dbraw/zinc/32/21/02/536322102.db2.gz KWGXHSGJWIIGOF-WBMJQRKESA-N 0 3 346.452 2.638 20 10 EFCDHN COc1ccc(N2CCCN(C[C@](C)(O)C(F)(F)F)CC2)cc1 ZINC000366824022 536672197 /nfs/dbraw/zinc/67/21/97/536672197.db2.gz MZSJJBCGWNIVEE-HNNXBMFYSA-N 0 3 332.366 2.521 20 10 EFCDHN COC1CCN(c2ccc(CN[C@@H](C)Cn3cccn3)cc2)CC1 ZINC000297657477 536757828 /nfs/dbraw/zinc/75/78/28/536757828.db2.gz YXJFFISMNGHKHF-INIZCTEOSA-N 0 3 328.460 2.677 20 10 EFCDHN CO[C@H]1COC[C@@H]1NCc1ccc(N(C)Cc2cccs2)cc1 ZINC000295592111 536770758 /nfs/dbraw/zinc/77/07/58/536770758.db2.gz CDDNNODKVYAPJR-ROUUACIJSA-N 0 3 332.469 2.888 20 10 EFCDHN COc1cc(O)c(CN2CC[C@](O)(c3ccc(F)cc3)C2)cc1OC ZINC000367700357 536856077 /nfs/dbraw/zinc/85/60/77/536856077.db2.gz SQABPRBGPBJAOY-LJQANCHMSA-N 0 3 347.386 2.642 20 10 EFCDHN COc1cc([O-])c(C[N@@H+]2CC[C@](O)(c3ccc(F)cc3)C2)cc1OC ZINC000367700357 536856084 /nfs/dbraw/zinc/85/60/84/536856084.db2.gz SQABPRBGPBJAOY-LJQANCHMSA-N 0 3 347.386 2.642 20 10 EFCDHN COc1cc([O-])c(C[N@H+]2CC[C@](O)(c3ccc(F)cc3)C2)cc1OC ZINC000367700357 536856088 /nfs/dbraw/zinc/85/60/88/536856088.db2.gz SQABPRBGPBJAOY-LJQANCHMSA-N 0 3 347.386 2.642 20 10 EFCDHN COc1cc([O-])c(C[NH2+][C@H](C)[C@H](O)c2cccc(F)c2)cc1OC ZINC000271792846 536857347 /nfs/dbraw/zinc/85/73/47/536857347.db2.gz HGDREZATUJMDPW-ZMZPIMSZSA-N 0 3 335.375 2.760 20 10 EFCDHN Cc1cc(CNC[C@@H](C)S(C)(=O)=O)c(C)n1-c1cccc(C)c1 ZINC000754081651 575386815 /nfs/dbraw/zinc/38/68/15/575386815.db2.gz JKXGGXPUSDEKOL-OAHLLOKOSA-N 0 3 334.485 2.925 20 10 EFCDHN CO[C@@H]1C[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C[C@@H]1OC ZINC000754153842 575398876 /nfs/dbraw/zinc/39/88/76/575398876.db2.gz JRIHJTZDFQHSGG-BGYRXZFFSA-N 0 3 343.423 2.817 20 10 EFCDHN CO[C@@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C[C@@H]1OC ZINC000754153842 575398878 /nfs/dbraw/zinc/39/88/78/575398878.db2.gz JRIHJTZDFQHSGG-BGYRXZFFSA-N 0 3 343.423 2.817 20 10 EFCDHN COc1ccc(N2CCN(CCN(C)c3ccccc3)CC2)cc1 ZINC000754643402 575465009 /nfs/dbraw/zinc/46/50/09/575465009.db2.gz VOPVZHGCSYRIGZ-UHFFFAOYSA-N 0 3 325.456 2.954 20 10 EFCDHN COc1cc(C)cc(CN2CC[C@H](NC(=O)OC(C)(C)C)C2)c1O ZINC000754727097 575478360 /nfs/dbraw/zinc/47/83/60/575478360.db2.gz ODMFJKBPGQSICI-AWEZNQCLSA-N 0 3 336.432 2.808 20 10 EFCDHN C[C@@H](CNC(=O)OC(C)(C)C)NCc1ccc(N(C)C)c(F)c1 ZINC000755223948 575562583 /nfs/dbraw/zinc/56/25/83/575562583.db2.gz VTOADDYPTRDYSP-LBPRGKRZSA-N 0 3 325.428 2.895 20 10 EFCDHN Cc1ccc([O-])c([C@H](C)[NH2+]CCCN2C(=O)NC3(CCCC3)C2=O)c1 ZINC000756360057 575722912 /nfs/dbraw/zinc/72/29/12/575722912.db2.gz FOAHJYMGXPSJFE-AWEZNQCLSA-N 0 3 345.443 2.606 20 10 EFCDHN COCC(=O)Nc1cccc(CN[C@H](C)c2cc(OC)ccc2O)c1 ZINC000756378405 575726448 /nfs/dbraw/zinc/72/64/48/575726448.db2.gz CWMVBALVXSWYOS-CYBMUJFWSA-N 0 3 344.411 2.837 20 10 EFCDHN C[C@@H]([NH2+]CC(C)(C)N1CCN(C)CC1)c1cc2c(cc1[O-])CCCC2 ZINC000756399128 575731228 /nfs/dbraw/zinc/73/12/28/575731228.db2.gz MLTKFNFJRXPTPL-MRXNPFEDSA-N 0 3 345.531 2.948 20 10 EFCDHN C[C@@H]1C[C@H]([NH2+]CC(C)(C)N2CCN(C)CC2)c2c1c(F)ccc2[O-] ZINC000756400028 575731236 /nfs/dbraw/zinc/73/12/36/575731236.db2.gz UHHYGYUYNVYSRC-HIFRSBDPSA-N 0 3 335.467 2.695 20 10 EFCDHN C[C@H]([NH2+]CCCCN1CCN(C)CC1)c1cc(Cl)ccc1[O-] ZINC000756408489 575732585 /nfs/dbraw/zinc/73/25/85/575732585.db2.gz OPBKNMBFXQZAQA-AWEZNQCLSA-N 0 3 325.884 2.724 20 10 EFCDHN CCN1CCN([C@H](C)C[NH2+][C@@H]2C[C@H](C)c3c2c([O-])ccc3F)CC1 ZINC000756412938 575733838 /nfs/dbraw/zinc/73/38/38/575733838.db2.gz WKQAPNILJMEGFB-SQWLQELKSA-N 0 3 335.467 2.695 20 10 EFCDHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@@H](C)CN2CCCCC2)c1 ZINC000756435127 575738514 /nfs/dbraw/zinc/73/85/14/575738514.db2.gz WJQIHTPIRYQYBF-CABCVRRESA-N 0 3 334.460 2.951 20 10 EFCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@H](O)COc2cccc(F)c2)c1 ZINC000756462102 575742986 /nfs/dbraw/zinc/74/29/86/575742986.db2.gz YXMLHFDQKSEODT-JSGCOSHPSA-N 0 3 335.375 2.630 20 10 EFCDHN CCN1CCN(C[C@@H](C)C[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])CC1 ZINC000756535860 575756584 /nfs/dbraw/zinc/75/65/84/575756584.db2.gz RXTYBHPAACSUHG-UONOGXRCSA-N 0 3 341.446 2.595 20 10 EFCDHN COc1ccc(O)c([C@H](C)NCc2ccc3c(c2)CCS3(=O)=O)c1 ZINC000756741123 575783178 /nfs/dbraw/zinc/78/31/78/575783178.db2.gz CZGPAWWAKHCTDK-LBPRGKRZSA-N 0 3 347.436 2.581 20 10 EFCDHN Cc1ccc([C@H](C)[NH2+]Cc2ccc3c(c2)CCS3(=O)=O)c([O-])c1 ZINC000756756227 575784446 /nfs/dbraw/zinc/78/44/46/575784446.db2.gz GJIVWRJMLUMQPC-ZDUSSCGKSA-N 0 3 331.437 2.881 20 10 EFCDHN Cc1ccc([C@H](C)N[C@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)c(O)c1C ZINC000756839043 575790806 /nfs/dbraw/zinc/79/08/06/575790806.db2.gz PTSGWRMMULNUNB-IFIJOSMWSA-N 0 3 342.443 2.587 20 10 EFCDHN Oc1cccc2c1C[C@@H](NCc1ccc(N3CCOCC3)c(F)c1)C2 ZINC000758561667 575872799 /nfs/dbraw/zinc/87/27/99/575872799.db2.gz QBQDONRYMQVYDA-INIZCTEOSA-N 0 3 342.414 2.625 20 10 EFCDHN CC[C@H](CN1CCCC1)NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000758693542 575875676 /nfs/dbraw/zinc/87/56/76/575875676.db2.gz DWUYIWWTLUPTRB-GOSISDBHSA-N 0 3 344.503 2.960 20 10 EFCDHN CCC1(CC)[C@H](NCC(=O)NCc2ccc(N(C)C)cc2)C[C@@H]1OC ZINC000759601522 575907506 /nfs/dbraw/zinc/90/75/06/575907506.db2.gz NWKBJMAFDPRGJP-MSOLQXFVSA-N 0 3 347.503 2.552 20 10 EFCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H](CO)Cc2ccco2)c1[O-] ZINC000761215342 576130793 /nfs/dbraw/zinc/13/07/93/576130793.db2.gz KOMQFGZZLHLXRU-NSHDSACASA-N 0 3 325.792 2.588 20 10 EFCDHN COc1cc(Br)cc(C[N@H+](C)CC2(O)CCC2)c1[O-] ZINC000761218529 576131554 /nfs/dbraw/zinc/13/15/54/576131554.db2.gz GDFACUROIGIMJV-UHFFFAOYSA-N 0 3 330.222 2.510 20 10 EFCDHN COc1cc(Br)cc(C[N@@H+](C)CC2(O)CCC2)c1[O-] ZINC000761218529 576131556 /nfs/dbraw/zinc/13/15/56/576131556.db2.gz GDFACUROIGIMJV-UHFFFAOYSA-N 0 3 330.222 2.510 20 10 EFCDHN CN(C)c1ccc(CNC(=O)NC[C@@H]2CCCCN2C2CC2)cc1F ZINC000764842435 576510755 /nfs/dbraw/zinc/51/07/55/576510755.db2.gz UKJNVYNPIINMAA-INIZCTEOSA-N 0 3 348.466 2.708 20 10 EFCDHN C[C@@H](NC[C@@H](O)COc1cccc(F)c1)c1ccc(N(C)C)cc1 ZINC000765287997 577027772 /nfs/dbraw/zinc/02/77/72/577027772.db2.gz ITKVLLYLMVOFHM-RDTXWAMCSA-N 0 3 332.419 2.982 20 10 EFCDHN C[C@H](NC[C@](C)(O)C1CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000765937479 577090059 /nfs/dbraw/zinc/09/00/59/577090059.db2.gz VPRJWBWHNLNXDY-UGSOOPFHSA-N 0 3 338.879 2.988 20 10 EFCDHN C[C@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(N(C)C)cc1 ZINC000766376187 577141833 /nfs/dbraw/zinc/14/18/33/577141833.db2.gz SCVJFUZZWFJODF-ZDUSSCGKSA-N 0 3 342.399 2.950 20 10 EFCDHN C[C@H](NCc1ccc(N2CCN(C)CC2)cc1)c1cccc(O)c1 ZINC000767729943 577230802 /nfs/dbraw/zinc/23/08/02/577230802.db2.gz XCDBJYGGQPTIRS-INIZCTEOSA-N 0 3 325.456 2.995 20 10 EFCDHN CC(C)[N@@H+]1CC[C@@H](CNCc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000725848926 577248827 /nfs/dbraw/zinc/24/88/27/577248827.db2.gz CVZKOGKKYUSVFY-NSHDSACASA-N 0 3 327.812 2.774 20 10 EFCDHN CC(C)[N@H+]1CC[C@@H](CNCc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000725848926 577248830 /nfs/dbraw/zinc/24/88/30/577248830.db2.gz CVZKOGKKYUSVFY-NSHDSACASA-N 0 3 327.812 2.774 20 10 EFCDHN CC(C)N1CC[C@@H](C[NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000725848926 577248833 /nfs/dbraw/zinc/24/88/33/577248833.db2.gz CVZKOGKKYUSVFY-NSHDSACASA-N 0 3 327.812 2.774 20 10 EFCDHN CCN(Cc1ccc2c(c1)OCO2)Cc1cc2c(cc1O)OCO2 ZINC000768197277 577260538 /nfs/dbraw/zinc/26/05/38/577260538.db2.gz JELRMQKKSDLVRQ-UHFFFAOYSA-N 0 3 329.352 2.872 20 10 EFCDHN CCOc1ccc(C[N@@H+]2CCC[C@H](C(=O)NCC3CC3)C2)c([O-])c1 ZINC000768347942 577267732 /nfs/dbraw/zinc/26/77/32/577267732.db2.gz YLLUXJRLHGJIQT-INIZCTEOSA-N 0 3 332.444 2.529 20 10 EFCDHN CCOc1ccc(C[N@H+]2CCC[C@H](C(=O)NCC3CC3)C2)c([O-])c1 ZINC000768347942 577267734 /nfs/dbraw/zinc/26/77/34/577267734.db2.gz YLLUXJRLHGJIQT-INIZCTEOSA-N 0 3 332.444 2.529 20 10 EFCDHN CNC(=O)c1ccc(CN(Cc2cccc(OC)c2O)C2CC2)cc1 ZINC000768420619 577272630 /nfs/dbraw/zinc/27/26/30/577272630.db2.gz DJKQMAWVUBQGME-UHFFFAOYSA-N 0 3 340.423 2.925 20 10 EFCDHN COc1cc(O)c(CN(C)Cc2ccc3c(c2)OCCO3)cc1OC ZINC000768437580 577273527 /nfs/dbraw/zinc/27/35/27/577273527.db2.gz AHTARDFDBMUOFW-UHFFFAOYSA-N 0 3 345.395 2.813 20 10 EFCDHN C[N@@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)C[C@@H]1OCCc2ccccc21 ZINC000768444667 577273984 /nfs/dbraw/zinc/27/39/84/577273984.db2.gz NGCDLVRVHPRSRC-QUCCMNQESA-N 0 3 341.407 2.564 20 10 EFCDHN C[N@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)C[C@@H]1OCCc2ccccc21 ZINC000768444667 577273985 /nfs/dbraw/zinc/27/39/85/577273985.db2.gz NGCDLVRVHPRSRC-QUCCMNQESA-N 0 3 341.407 2.564 20 10 EFCDHN COc1ccc2c(c1)CCC[N@@H+](Cc1cc3c(cc1[O-])OC[C@@H]3O)C2 ZINC000768449404 577274803 /nfs/dbraw/zinc/27/48/03/577274803.db2.gz GTFLKONEWREGPM-IBGZPJMESA-N 0 3 341.407 2.775 20 10 EFCDHN COc1ccc2c(c1)CCC[N@H+](Cc1cc3c(cc1[O-])OC[C@@H]3O)C2 ZINC000768449404 577274804 /nfs/dbraw/zinc/27/48/04/577274804.db2.gz GTFLKONEWREGPM-IBGZPJMESA-N 0 3 341.407 2.775 20 10 EFCDHN [O-]c1cc2c(cc1C[N@H+](CCC(F)(F)F)CC1CC1)[C@H](O)CO2 ZINC000768463430 577276010 /nfs/dbraw/zinc/27/60/10/577276010.db2.gz IODUXERYPQNNRC-CQSZACIVSA-N 0 3 331.334 2.982 20 10 EFCDHN [O-]c1cc2c(cc1C[N@@H+](CCC(F)(F)F)CC1CC1)[C@H](O)CO2 ZINC000768463430 577276011 /nfs/dbraw/zinc/27/60/11/577276011.db2.gz IODUXERYPQNNRC-CQSZACIVSA-N 0 3 331.334 2.982 20 10 EFCDHN C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(Cc2cc3c(cc2[O-])OCO3)C1 ZINC000768913540 577315939 /nfs/dbraw/zinc/31/59/39/577315939.db2.gz LCMLMIUUZIYHGG-FMKPAKJESA-N 0 3 332.444 2.958 20 10 EFCDHN C[C@H](CNC(=O)OC(C)(C)C)NCc1ccc(N(C)C)c(F)c1 ZINC000768946814 577319167 /nfs/dbraw/zinc/31/91/67/577319167.db2.gz VTOADDYPTRDYSP-GFCCVEGCSA-N 0 3 325.428 2.895 20 10 EFCDHN CCOc1ccc(C[N@@H+]2CCCN(c3nccs3)CC2)c([O-])c1 ZINC000769105775 577334752 /nfs/dbraw/zinc/33/47/52/577334752.db2.gz JRIBEGXHSLYIED-UHFFFAOYSA-N 0 3 333.457 2.960 20 10 EFCDHN CCOc1ccc(C[N@H+]2CCCN(c3nccs3)CC2)c([O-])c1 ZINC000769105775 577334753 /nfs/dbraw/zinc/33/47/53/577334753.db2.gz JRIBEGXHSLYIED-UHFFFAOYSA-N 0 3 333.457 2.960 20 10 EFCDHN CCOc1ccc(C[NH+]2CCC(OC[C@@H]3CCCO3)CC2)c([O-])c1 ZINC000769189592 577343064 /nfs/dbraw/zinc/34/30/64/577343064.db2.gz NDBXIKGUWLGQPU-SFHVURJKSA-N 0 3 335.444 2.951 20 10 EFCDHN CCN(CC)c1ccc(CN2CCN(CC(C)(C)O)CC2)cc1F ZINC000769301043 577350511 /nfs/dbraw/zinc/35/05/11/577350511.db2.gz GGPXZXWJIBEMIN-UHFFFAOYSA-N 0 3 337.483 2.560 20 10 EFCDHN CCOc1ccc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)c([O-])c1 ZINC000769336980 577353116 /nfs/dbraw/zinc/35/31/16/577353116.db2.gz AQUJOFYTQXAICJ-OAHLLOKOSA-N 0 3 342.443 2.708 20 10 EFCDHN CCOc1ccc(C[N@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)c([O-])c1 ZINC000769336980 577353119 /nfs/dbraw/zinc/35/31/19/577353119.db2.gz AQUJOFYTQXAICJ-OAHLLOKOSA-N 0 3 342.443 2.708 20 10 EFCDHN O=[N+]([O-])c1cnn(CC[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])c1 ZINC000769423512 577361569 /nfs/dbraw/zinc/36/15/69/577361569.db2.gz LSGAVASRXVFETR-UHFFFAOYSA-N 0 3 338.367 2.954 20 10 EFCDHN CCN1C[C@H](C)N(Cc2ccc(N3CCOCC3)c(F)c2)C[C@@H]1C ZINC000769467819 577364801 /nfs/dbraw/zinc/36/48/01/577364801.db2.gz ZKYKMBSOYZPHSJ-HOTGVXAUSA-N 0 3 335.467 2.577 20 10 EFCDHN C[C@H](CCCOc1ccccc1C(N)=O)[NH2+]Cc1ccccc1[O-] ZINC000769492887 577367056 /nfs/dbraw/zinc/36/70/56/577367056.db2.gz CJWWZSYBUDBPEN-CQSZACIVSA-N 0 3 328.412 2.828 20 10 EFCDHN C[C@@H]1C[N@H+](Cc2c([O-])cccc2Cl)CC[C@@H]1N1CCN(C)CC1 ZINC000769523411 577369941 /nfs/dbraw/zinc/36/99/41/577369941.db2.gz AAVOZXCYMOWYIG-PBHICJAKSA-N 0 3 337.895 2.503 20 10 EFCDHN C[C@@H]1C[N@@H+](Cc2c([O-])cccc2Cl)CC[C@@H]1N1CCN(C)CC1 ZINC000769523411 577369943 /nfs/dbraw/zinc/36/99/43/577369943.db2.gz AAVOZXCYMOWYIG-PBHICJAKSA-N 0 3 337.895 2.503 20 10 EFCDHN COc1cc(Br)cc(C[NH2+][C@@H]2CCO[C@H](C)C2)c1[O-] ZINC000769710109 577380110 /nfs/dbraw/zinc/38/01/10/577380110.db2.gz NAKNHFBUXHCCIC-BXKDBHETSA-N 0 3 330.222 2.820 20 10 EFCDHN C[C@H](NCCO[C@H]1CCCCO1)c1ccc(N2CCOCC2)cc1 ZINC000769787195 577385012 /nfs/dbraw/zinc/38/50/12/577385012.db2.gz PRHXDVOEXKUWDA-LPHOPBHVSA-N 0 3 334.460 2.717 20 10 EFCDHN Oc1cc2c(cc1CNC1(c3ccc4c(c3)OCO4)CC1)OCO2 ZINC000769933656 577394101 /nfs/dbraw/zinc/39/41/01/577394101.db2.gz GUHNVDGAWGPMGA-UHFFFAOYSA-N 0 3 327.336 2.629 20 10 EFCDHN CCOC(=O)N1CC[C@H](NCc2ccc(N(CC)CC)c(F)c2)C1 ZINC000769939665 577394599 /nfs/dbraw/zinc/39/45/99/577394599.db2.gz QGHKLDSSCKPLJH-HNNXBMFYSA-N 0 3 337.439 2.992 20 10 EFCDHN C[C@H](CCN1CCN(C)CC1)[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000770006611 577397459 /nfs/dbraw/zinc/39/74/59/577397459.db2.gz YZQRXHCPLROPPV-IIAWOOMASA-N 0 3 335.467 2.695 20 10 EFCDHN CCOC(=O)C1(C[NH2+]Cc2cc(Br)cc(C)c2[O-])CC1 ZINC000770666362 581123097 /nfs/dbraw/zinc/12/30/97/581123097.db2.gz ZSZRVCYBOAPZBA-UHFFFAOYSA-N 0 3 342.233 2.896 20 10 EFCDHN COC(=O)C[C@]1(NCc2ccc(N3CCCCC3)cc2)CCCOC1 ZINC000770673005 581124294 /nfs/dbraw/zinc/12/42/94/581124294.db2.gz DUVUCKPRFDATLG-HXUWFJFHSA-N 0 3 346.471 2.879 20 10 EFCDHN C[C@H]1CCN(CC(=O)NCc2ccc(N(C)C)cc2)CC12CCC2 ZINC000771465377 581214787 /nfs/dbraw/zinc/21/47/87/581214787.db2.gz UXGMBGOEPXVQIC-INIZCTEOSA-N 0 3 329.488 2.881 20 10 EFCDHN COC(=O)C(C)(C)[C@@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000771627714 581228366 /nfs/dbraw/zinc/22/83/66/581228366.db2.gz QAHVZZCDRRBXAB-CYBMUJFWSA-N 0 3 335.400 2.532 20 10 EFCDHN COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000771627714 581228369 /nfs/dbraw/zinc/22/83/69/581228369.db2.gz QAHVZZCDRRBXAB-CYBMUJFWSA-N 0 3 335.400 2.532 20 10 EFCDHN COc1cc(Br)cc(C[NH2+][C@]2(C)CCCOC2)c1[O-] ZINC000771891496 581255362 /nfs/dbraw/zinc/25/53/62/581255362.db2.gz GLPDETRIMWFASP-CQSZACIVSA-N 0 3 330.222 2.822 20 10 EFCDHN COc1cc(Br)cc(C[NH2+][C@@]2(C)CCCOC2)c1[O-] ZINC000771891492 581255452 /nfs/dbraw/zinc/25/54/52/581255452.db2.gz GLPDETRIMWFASP-AWEZNQCLSA-N 0 3 330.222 2.822 20 10 EFCDHN C[C@@H](N[C@@H](CO)CC1CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000773107565 581396897 /nfs/dbraw/zinc/39/68/97/581396897.db2.gz XPZBJEISVVCLFI-UKRRQHHQSA-N 0 3 338.879 2.988 20 10 EFCDHN C[C@H](N[C@@H](CO)CC1CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000773107562 581397015 /nfs/dbraw/zinc/39/70/15/581397015.db2.gz XPZBJEISVVCLFI-DZGCQCFKSA-N 0 3 338.879 2.988 20 10 EFCDHN CCN1CCCC[C@H]1CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773293839 581414979 /nfs/dbraw/zinc/41/49/79/581414979.db2.gz AFAIBQCAXZTEGO-YJBOKZPZSA-N 0 3 332.492 2.987 20 10 EFCDHN C[C@H](NC(=O)N[C@@H]1CN(C2CC2)C[C@H]1C)c1ccc(N(C)C)cc1 ZINC000773394552 581426358 /nfs/dbraw/zinc/42/63/58/581426358.db2.gz ZXHMKSDOVIOZTA-QWQRMKEZSA-N 0 3 330.476 2.596 20 10 EFCDHN C[C@@H](NC(=O)N[C@@H](C)C1=CCN(C)CC1)c1ccc(N(C)C)cc1 ZINC000773434747 581430608 /nfs/dbraw/zinc/43/06/08/581430608.db2.gz BXEUHAKYMRQODR-CABCVRRESA-N 0 3 330.476 2.763 20 10 EFCDHN CCN(C)c1ccc(CN2CCC([C@@H](O)c3nccn3C)CC2)cc1 ZINC000773804953 581465273 /nfs/dbraw/zinc/46/52/73/581465273.db2.gz FGWBCLWNBWTZNG-LJQANCHMSA-N 0 3 342.487 2.822 20 10 EFCDHN Cc1cc(N(C)C)ccc1CN[C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000774414999 581491041 /nfs/dbraw/zinc/49/10/41/581491041.db2.gz LXPPZIIYWUIJMG-AWEZNQCLSA-N 0 3 347.484 2.559 20 10 EFCDHN CCN1CC[C@@H]([N@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C[C@@H]1C ZINC000774904806 581503742 /nfs/dbraw/zinc/50/37/42/581503742.db2.gz XBQFSKBCQSQLIW-GXTWGEPZSA-N 0 3 337.420 2.614 20 10 EFCDHN CCN1CC[C@@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C[C@@H]1C ZINC000774904806 581503743 /nfs/dbraw/zinc/50/37/43/581503743.db2.gz XBQFSKBCQSQLIW-GXTWGEPZSA-N 0 3 337.420 2.614 20 10 EFCDHN CC[N@@H+]1CC[C@@H](N(C)Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C[C@@H]1C ZINC000774904806 581503744 /nfs/dbraw/zinc/50/37/44/581503744.db2.gz XBQFSKBCQSQLIW-GXTWGEPZSA-N 0 3 337.420 2.614 20 10 EFCDHN CC[N@H+]1CC[C@@H](N(C)Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C[C@@H]1C ZINC000774904806 581503745 /nfs/dbraw/zinc/50/37/45/581503745.db2.gz XBQFSKBCQSQLIW-GXTWGEPZSA-N 0 3 337.420 2.614 20 10 EFCDHN CC[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cc1ccc(N(C)C)cc1 ZINC000736556563 598406141 /nfs/dbraw/zinc/40/61/41/598406141.db2.gz YSHIONSJBISUAZ-UHFFFAOYSA-N 0 3 336.443 2.955 20 10 EFCDHN CC[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cc1ccc(N(C)C)cc1 ZINC000736556563 598406143 /nfs/dbraw/zinc/40/61/43/598406143.db2.gz YSHIONSJBISUAZ-UHFFFAOYSA-N 0 3 336.443 2.955 20 10 EFCDHN CC[N@@H+](Cc1ccc(-c2nn[n-]n2)cc1)Cc1ccc(N(C)C)cc1 ZINC000736556563 598406145 /nfs/dbraw/zinc/40/61/45/598406145.db2.gz YSHIONSJBISUAZ-UHFFFAOYSA-N 0 3 336.443 2.955 20 10 EFCDHN CC[N@H+](Cc1ccc(-c2nn[n-]n2)cc1)Cc1ccc(N(C)C)cc1 ZINC000736556563 598406146 /nfs/dbraw/zinc/40/61/46/598406146.db2.gz YSHIONSJBISUAZ-UHFFFAOYSA-N 0 3 336.443 2.955 20 10 EFCDHN CC(C)=CCN1CC[C@@]2(CC[N@H+](Cc3cc(F)ccc3[O-])C2)C1=O ZINC001273284163 1265476248 /nfs/dbraw/zinc/47/62/48/1265476248.db2.gz FYNUXDWBIFUOOM-LJQANCHMSA-N 0 3 332.419 2.922 20 10 EFCDHN CC(C)=CCN1CC[C@@]2(CC[N@@H+](Cc3cc(F)ccc3[O-])C2)C1=O ZINC001273284163 1265476250 /nfs/dbraw/zinc/47/62/50/1265476250.db2.gz FYNUXDWBIFUOOM-LJQANCHMSA-N 0 3 332.419 2.922 20 10 EFCDHN CCOc1ccc(C[NH2+]CC2(CC(=O)NC)CCCCC2)c([O-])c1 ZINC000850399247 1250468036 /nfs/dbraw/zinc/46/80/36/1250468036.db2.gz ITGAVADJUZQPDW-UHFFFAOYSA-N 0 3 334.460 2.967 20 10 EFCDHN Cn1ncc(C2CC2)c1CNCc1ccc(N2CCC(O)CC2)cc1 ZINC000850406862 1250470000 /nfs/dbraw/zinc/47/00/00/1250470000.db2.gz XDBSJRCLHBVXCC-UHFFFAOYSA-N 0 3 340.471 2.548 20 10 EFCDHN COc1cccc([O-])c1C[NH2+]C[C@@H](O)c1cc(F)c(F)c(F)c1 ZINC000850418846 1250476050 /nfs/dbraw/zinc/47/60/50/1250476050.db2.gz RIFZRZPMFCRJDH-CQSZACIVSA-N 0 3 327.302 2.641 20 10 EFCDHN COc1ccc(N2C[C@@H]([NH2+][C@H]3CCc4cccc([O-])c43)CC2=O)cc1 ZINC000850515734 1250517813 /nfs/dbraw/zinc/51/78/13/1250517813.db2.gz OBKNZKLHHKOTCL-YOEHRIQHSA-N 0 3 338.407 2.783 20 10 EFCDHN COc1ccc(N2C[C@@H]([NH2+][C@H](C)c3cc(F)ccc3[O-])CC2=O)cc1 ZINC000850516097 1250520407 /nfs/dbraw/zinc/52/04/07/1250520407.db2.gz SLIDONFHKCOEDL-OCCSQVGLSA-N 0 3 344.386 2.996 20 10 EFCDHN COc1cc([C@@H](C)NCc2ccc(N3CCC(O)CC3)cc2)ccn1 ZINC000850567935 1250540365 /nfs/dbraw/zinc/54/03/65/1250540365.db2.gz MIEVSCIKKJPBQA-OAHLLOKOSA-N 0 3 341.455 2.902 20 10 EFCDHN Cc1ccc(C[NH+]2CCC3(CCN(CC(F)F)C3=O)CC2)c([O-])c1 ZINC001272764644 1257675959 /nfs/dbraw/zinc/67/59/59/1257675959.db2.gz CFIGCMPCMFRWEA-UHFFFAOYSA-N 0 3 338.398 2.780 20 10 EFCDHN CC(=O)[C@@H](C)N1C[C@@]2(CC1=O)CCCCN2Cc1ccc(C)cc1O ZINC001272764926 1257681064 /nfs/dbraw/zinc/68/10/64/1257681064.db2.gz CTXKPVSKCQTXMB-QRWLVFNGSA-N 0 3 344.455 2.635 20 10 EFCDHN COC(C)(C)CN1CC[C@]2(CC[N@H+](Cc3ccc(C)cc3[O-])C2)C1=O ZINC001272765345 1257683659 /nfs/dbraw/zinc/68/36/59/1257683659.db2.gz HKNFQHYFQZNDCU-FQEVSTJZSA-N 0 3 346.471 2.550 20 10 EFCDHN COC(C)(C)CN1CC[C@]2(CC[N@@H+](Cc3ccc(C)cc3[O-])C2)C1=O ZINC001272765345 1257683667 /nfs/dbraw/zinc/68/36/67/1257683667.db2.gz HKNFQHYFQZNDCU-FQEVSTJZSA-N 0 3 346.471 2.550 20 10 EFCDHN Cc1ccc(C[N@H+]2CCC[C@@]3(CC(=O)N(CC(C)C)C3=O)C2)c([O-])c1 ZINC001272766350 1257703497 /nfs/dbraw/zinc/70/34/97/1257703497.db2.gz PJPLZYZNUAMJIT-HXUWFJFHSA-N 0 3 344.455 2.698 20 10 EFCDHN Cc1ccc(C[N@@H+]2CCC[C@@]3(CC(=O)N(CC(C)C)C3=O)C2)c([O-])c1 ZINC001272766350 1257703504 /nfs/dbraw/zinc/70/35/04/1257703504.db2.gz PJPLZYZNUAMJIT-HXUWFJFHSA-N 0 3 344.455 2.698 20 10 EFCDHN Cc1cc([C@@H](C)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)nn1C ZINC000903448068 1260720837 /nfs/dbraw/zinc/72/08/37/1260720837.db2.gz JAXRMBUBRHHMMK-DNVCBOLYSA-N 0 3 329.492 2.748 20 10 EFCDHN COC(=O)[C@H](C)Oc1ccccc1CNCc1cc(OC)ccc1O ZINC000921740513 1261321829 /nfs/dbraw/zinc/32/18/29/1261321829.db2.gz LOJGPXAPXVAFOQ-ZDUSSCGKSA-N 0 3 345.395 2.631 20 10 EFCDHN CC(C)CN1CC[C@@]2(CCCN2Cc2ccc(N(C)C)cc2)C1=O ZINC001272916759 1261327630 /nfs/dbraw/zinc/32/76/30/1261327630.db2.gz LDYCXLCAUYEQTA-FQEVSTJZSA-N 0 3 329.488 2.976 20 10 EFCDHN Cc1cc(C(=O)N2[C@@H]3CC[C@H]2CCN(C)C3)c(C)n1-c1ccccn1 ZINC000923303749 1261436982 /nfs/dbraw/zinc/43/69/82/1261436982.db2.gz KAGMJXWQMOGVOR-DLBZAZTESA-N 0 3 338.455 2.798 20 10 EFCDHN COc1cccc([O-])c1C[NH2+]CC1(N2CCC(OC)CC2)CCCC1 ZINC000730817051 1264452547 /nfs/dbraw/zinc/45/25/47/1264452547.db2.gz FBCJLMOBXJIJSH-UHFFFAOYSA-N 0 3 348.487 2.914 20 10 EFCDHN O=C1N(CC2CCCC2)CC[C@@]12CC[N@@H+](Cc1ccc(O)cc1[O-])C2 ZINC001272988234 1264742791 /nfs/dbraw/zinc/74/27/91/1264742791.db2.gz OMCIQHHKFVCEQR-HXUWFJFHSA-N 0 3 344.455 2.712 20 10 EFCDHN O=C1N(CC2CCCC2)CC[C@@]12CC[N@H+](Cc1ccc(O)cc1[O-])C2 ZINC001272988234 1264742799 /nfs/dbraw/zinc/74/27/99/1264742799.db2.gz OMCIQHHKFVCEQR-HXUWFJFHSA-N 0 3 344.455 2.712 20 10 EFCDHN O=C1N(CC2CCCC2)CC[C@@]12CCCN2Cc1ccc(O)cc1O ZINC001272988184 1264742951 /nfs/dbraw/zinc/74/29/51/1264742951.db2.gz NXANZYSVKSAHRZ-FQEVSTJZSA-N 0 3 344.455 2.855 20 10 EFCDHN COc1cc(Br)cc(C[NH2+]C[C@]2(C)CCOC2)c1[O-] ZINC000733328064 1265169717 /nfs/dbraw/zinc/16/97/17/1265169717.db2.gz RLHOJLMRCMMSIW-AWEZNQCLSA-N 0 3 330.222 2.680 20 10 EFCDHN Cc1cccc(CNCc2ccc(N3CCS(=O)(=O)CC3)cc2)c1 ZINC000733330738 1265173156 /nfs/dbraw/zinc/17/31/56/1265173156.db2.gz KZDANEOMQMIXLW-UHFFFAOYSA-N 0 3 344.480 2.520 20 10 EFCDHN CN(C)c1ccc(CN(C(=O)N[C@@H]2CCN(C3CC3)C2)C2CC2)cc1 ZINC000734285327 1266937842 /nfs/dbraw/zinc/93/78/42/1266937842.db2.gz JQHDWOYUFWMSKC-MRXNPFEDSA-N 0 3 342.487 2.663 20 10 EFCDHN O=S1(=O)CC[C@]2(C1)CCC[N@@H+](Cc1c([O-])ccc3ccccc31)C2 ZINC000824976966 1278375540 /nfs/dbraw/zinc/37/55/40/1278375540.db2.gz GITFYHKIKFMQPP-LJQANCHMSA-N 0 3 345.464 2.946 20 10 EFCDHN O=S1(=O)CC[C@]2(C1)CCC[N@H+](Cc1c([O-])ccc3ccccc31)C2 ZINC000824976966 1278375554 /nfs/dbraw/zinc/37/55/54/1278375554.db2.gz GITFYHKIKFMQPP-LJQANCHMSA-N 0 3 345.464 2.946 20 10 EFCDHN O=S1(=O)CC[C@]2(C1)CCCN(Cc1c(O)ccc3ccccc31)C2 ZINC000824976966 1278375572 /nfs/dbraw/zinc/37/55/72/1278375572.db2.gz GITFYHKIKFMQPP-LJQANCHMSA-N 0 3 345.464 2.946 20 10 EFCDHN COc1cccc([O-])c1C[NH2+][C@@H]1C[C@@H](OC(C)(C)C)[C@@H]1n1cccn1 ZINC000825117693 1278418223 /nfs/dbraw/zinc/41/82/23/1278418223.db2.gz JSWPXSUTPJFCLY-ZTFGCOKTSA-N 0 3 345.443 2.884 20 10 EFCDHN O=C1C[C@H](NCc2ccc3c(c2)CCO3)CN1[C@@H]1C[C@@H]1c1ccccc1 ZINC000742391078 1270018037 /nfs/dbraw/zinc/01/80/37/1270018037.db2.gz BZSZZTOIEJSGGY-XUVXKRRUSA-N 0 3 348.446 2.868 20 10 EFCDHN CC(C)(CNC(=O)c1cccc(O)c1O)N1CCc2ccccc2C1 ZINC000187023296 1270211663 /nfs/dbraw/zinc/21/16/63/1270211663.db2.gz PXAKFGMVYWXYBS-UHFFFAOYSA-N 0 3 340.423 2.665 20 10 EFCDHN C[C@H](NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccncc1 ZINC000743472071 1270598095 /nfs/dbraw/zinc/59/80/95/1270598095.db2.gz JVYLVAABKRGXAC-MAUKXSAKSA-N 0 3 338.455 2.634 20 10 EFCDHN COc1cc(Br)cc(C[NH2+]C[C@@H](OC)C(C)C)c1[O-] ZINC000744449221 1271051203 /nfs/dbraw/zinc/05/12/03/1271051203.db2.gz SWWZHKHQPYGZHA-CYBMUJFWSA-N 0 3 332.238 2.924 20 10 EFCDHN CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(Br)cc1[O-])C2 ZINC001169111283 1272703226 /nfs/dbraw/zinc/70/32/26/1272703226.db2.gz OLGQAXAMZDBQSP-BTTYYORXSA-N 0 3 325.250 2.870 20 10 EFCDHN CCOc1ccc(N2CCN([C@H](C)CC(=O)N(CC)CC)CC2)cc1 ZINC001169487582 1272978233 /nfs/dbraw/zinc/97/82/33/1272978233.db2.gz UAFGRADKUWQHAN-QGZVFWFLSA-N 0 3 347.503 2.854 20 10 EFCDHN CCCN(CCN(C)C)C(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000844201990 1278806987 /nfs/dbraw/zinc/80/69/87/1278806987.db2.gz HFPMHQODYZKGRJ-UHFFFAOYSA-N 0 3 346.500 2.730 20 10 EFCDHN [O-]c1cccc(Br)c1CN[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000706853900 1275053633 /nfs/dbraw/zinc/05/36/33/1275053633.db2.gz KUWNYGMTTCTJST-KGLIPLIRSA-N 0 3 325.250 2.871 20 10 EFCDHN [O-]c1cccc(Br)c1CN[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000706853900 1275053638 /nfs/dbraw/zinc/05/36/38/1275053638.db2.gz KUWNYGMTTCTJST-KGLIPLIRSA-N 0 3 325.250 2.871 20 10 EFCDHN C[N@@H+]1CC[C@]2(CCN(Cc3c([O-])cccc3Br)C2)C1 ZINC000707170603 1275374491 /nfs/dbraw/zinc/37/44/91/1275374491.db2.gz BCRKZAHYMYBHFL-HNNXBMFYSA-N 0 3 325.250 2.682 20 10 EFCDHN C[N@H+]1CC[C@]2(CCN(Cc3c([O-])cccc3Br)C2)C1 ZINC000707170603 1275374498 /nfs/dbraw/zinc/37/44/98/1275374498.db2.gz BCRKZAHYMYBHFL-HNNXBMFYSA-N 0 3 325.250 2.682 20 10 EFCDHN COC(=O)[C@H]1CC[N@H+](Cc2c([O-])ccc3ccc(OC)cc32)[C@H]1C ZINC000787239944 1275731776 /nfs/dbraw/zinc/73/17/76/1275731776.db2.gz PKLZTFCMPWSMQO-WFASDCNBSA-N 0 3 329.396 2.937 20 10 EFCDHN COC(=O)[C@H]1CC[N@@H+](Cc2c([O-])ccc3ccc(OC)cc32)[C@H]1C ZINC000787239944 1275731782 /nfs/dbraw/zinc/73/17/82/1275731782.db2.gz PKLZTFCMPWSMQO-WFASDCNBSA-N 0 3 329.396 2.937 20 10 EFCDHN COC(=O)[C@H]1CC[N@H+](Cc2cc(Br)cc(C)c2[O-])[C@H]1C ZINC000787420064 1275769359 /nfs/dbraw/zinc/76/93/59/1275769359.db2.gz CTLAYUPMFILMCG-GWCFXTLKSA-N 0 3 342.233 2.847 20 10 EFCDHN COC(=O)[C@H]1CC[N@@H+](Cc2cc(Br)cc(C)c2[O-])[C@H]1C ZINC000787420064 1275769364 /nfs/dbraw/zinc/76/93/64/1275769364.db2.gz CTLAYUPMFILMCG-GWCFXTLKSA-N 0 3 342.233 2.847 20 10 EFCDHN COC(=O)[C@H]1CCN(Cc2cc(Br)cc(C)c2O)[C@H]1C ZINC000787420064 1275769368 /nfs/dbraw/zinc/76/93/68/1275769368.db2.gz CTLAYUPMFILMCG-GWCFXTLKSA-N 0 3 342.233 2.847 20 10 EFCDHN COc1ccc(C[C@H](C)[NH2+]Cc2cccc(O)c2[O-])c([N+](=O)[O-])c1 ZINC001170315443 1279009272 /nfs/dbraw/zinc/00/92/72/1279009272.db2.gz XRVSPNBESWFZHD-NSHDSACASA-N 0 3 332.356 2.735 20 10 EFCDHN COC[C@@]1(CN[C@H](C)c2cccc(C(F)(F)F)c2[O-])CCC[NH2+]1 ZINC000817975525 1276416223 /nfs/dbraw/zinc/41/62/23/1276416223.db2.gz WBQMGOLWKHILMZ-ABAIWWIYSA-N 0 3 332.366 2.830 20 10 EFCDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+]C[C@@H]1CNCCO1 ZINC000817983056 1276421816 /nfs/dbraw/zinc/42/18/16/1276421816.db2.gz JTDQRJCTFJUWBA-HKUYNNGSSA-N 0 3 326.440 2.644 20 10 EFCDHN COc1ccc(N2CC[C@@H](CNCc3c(Cl)cnn3C)C2)cc1 ZINC000818222859 1276493496 /nfs/dbraw/zinc/49/34/96/1276493496.db2.gz XHZHSCZTRMEEPD-ZDUSSCGKSA-N 0 3 334.851 2.698 20 10 EFCDHN COc1ccc(N2CC[C@H](CNCc3cnn(C)c3Cl)C2)cc1 ZINC000818222449 1276493768 /nfs/dbraw/zinc/49/37/68/1276493768.db2.gz TWENJDAQEDUPBA-CYBMUJFWSA-N 0 3 334.851 2.698 20 10 EFCDHN COc1cc(Br)cc(CN2CCC[C@@]2(C)CO)c1O ZINC000789557828 1276843689 /nfs/dbraw/zinc/84/36/89/1276843689.db2.gz OPRKCVUHPCYQHL-AWEZNQCLSA-N 0 3 330.222 2.510 20 10 EFCDHN CCOc1ccc(CN[C@](C)(CC(=O)OC)c2ccncc2)c(O)c1 ZINC000789554003 1276814846 /nfs/dbraw/zinc/81/48/46/1276814846.db2.gz FETZAQFPPUNEKX-LJQANCHMSA-N 0 3 344.411 2.754 20 10 EFCDHN COc1ccc(N2CC[C@H](CNC(=O)CN3[C@@H](C)CC[C@@H]3C)C2)cc1 ZINC000819583840 1276827366 /nfs/dbraw/zinc/82/73/66/1276827366.db2.gz AEHXWFAVNVZVGM-YESZJQIVSA-N 0 3 345.487 2.511 20 10 EFCDHN CCN(C)c1ccc(CN2[C@H]3C[C@H](C(=O)OC)O[C@H]3CC[C@H]2C)cc1 ZINC000815112416 1287310441 /nfs/dbraw/zinc/31/04/41/1287310441.db2.gz QCXNMPKLGIAIHW-GRGSLBFTSA-N 0 3 346.471 2.826 20 10 EFCDHN CCN(C)c1ccc(CN[C@@H](C(N)=O)[C@@H](C)c2ccccc2)cc1 ZINC000815121849 1287314970 /nfs/dbraw/zinc/31/49/70/1287314970.db2.gz YVFIPJHTYUPVEP-HNAYVOBHSA-N 0 3 325.456 2.890 20 10 EFCDHN O=C(c1cc([O-])cs1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000792684080 1279086302 /nfs/dbraw/zinc/08/63/02/1279086302.db2.gz XJNLWXLAGFEGNN-GASCZTMLSA-N 0 3 328.437 2.658 20 10 EFCDHN O=C(c1cc([O-])cs1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000792684080 1279086306 /nfs/dbraw/zinc/08/63/06/1279086306.db2.gz XJNLWXLAGFEGNN-GASCZTMLSA-N 0 3 328.437 2.658 20 10 EFCDHN CN(C)c1ccc(CN(C)CCN2CCOCC2)c(C(F)(F)F)c1 ZINC000792812931 1279179934 /nfs/dbraw/zinc/17/99/34/1279179934.db2.gz WSHACDWBOXQJBG-UHFFFAOYSA-N 0 3 345.409 2.535 20 10 EFCDHN CN(C)c1ccc(CN[C@@H]2CC(=O)N(C3CC3)C2)c(C(F)(F)F)c1 ZINC000793047329 1279340251 /nfs/dbraw/zinc/34/02/51/1279340251.db2.gz JVQFLTLCSADFGQ-GFCCVEGCSA-N 0 3 341.377 2.624 20 10 EFCDHN COc1ccc(O)c([C@H](C)NCc2cnc(N3CCCC3)nc2)c1 ZINC000845971799 1279948289 /nfs/dbraw/zinc/94/82/89/1279948289.db2.gz DILMTBITZGAPSF-ZDUSSCGKSA-N 0 3 328.416 2.642 20 10 EFCDHN C[NH+](C)C[C@H](CNC(=O)c1cccc(O)c1[O-])c1ccc(Cl)cc1 ZINC000846132307 1280031706 /nfs/dbraw/zinc/03/17/06/1280031706.db2.gz XODSYBNBLZDCPA-ZDUSSCGKSA-N 0 3 348.830 2.826 20 10 EFCDHN COc1cccc([C@@H](C)NCc2ccc3c(c2)CCS3(=O)=O)c1O ZINC000846153785 1280039451 /nfs/dbraw/zinc/03/94/51/1280039451.db2.gz KSCMLAGJIUVXKZ-GFCCVEGCSA-N 0 3 347.436 2.581 20 10 EFCDHN C[C@@H]1C[C@H]([NH2+]Cc2cc(=O)n3ccccc3n2)c2c1c(F)ccc2[O-] ZINC000846212716 1280085127 /nfs/dbraw/zinc/08/51/27/1280085127.db2.gz FNFBWBNXLLLFFW-RISCZKNCSA-N 0 3 339.370 2.877 20 10 EFCDHN C[C@@H]1C[C@H](NCc2cc(=O)n3ccccc3n2)c2c1c(F)ccc2O ZINC000846212716 1280085135 /nfs/dbraw/zinc/08/51/35/1280085135.db2.gz FNFBWBNXLLLFFW-RISCZKNCSA-N 0 3 339.370 2.877 20 10 EFCDHN CC[C@H](C)N[C@@H](CNC(=O)NCc1ccccc1O)c1ccco1 ZINC000806645044 1281121609 /nfs/dbraw/zinc/12/16/09/1281121609.db2.gz RGVNURNGRCOZOE-ZFWWWQNUSA-N 0 3 331.416 2.914 20 10 EFCDHN O=C(NCC1CC[NH+](C2CCCCC2)CC1)c1cccc(O)c1[O-] ZINC001148220226 1281456581 /nfs/dbraw/zinc/45/65/81/1281456581.db2.gz ZMSXGNZBKXDTJY-UHFFFAOYSA-N 0 3 332.444 2.872 20 10 EFCDHN O=[N+]([O-])c1cc(CN2C[C@@H]3COC[C@@H]3C2)ccc1N1CCCCC1 ZINC000872266406 1287511700 /nfs/dbraw/zinc/51/17/00/1287511700.db2.gz FZGXIPGWRVNUCQ-IYBDPMFKSA-N 0 3 331.416 2.663 20 10 EFCDHN Cn1cnc(CN[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 ZINC000808391650 1281698613 /nfs/dbraw/zinc/69/86/13/1281698613.db2.gz PIAZFLVDBHSXRE-CYBMUJFWSA-N 0 3 336.386 2.780 20 10 EFCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CCN(c3cnn(C)c3)C2=O)c1[O-] ZINC000808707770 1281867828 /nfs/dbraw/zinc/86/78/28/1281867828.db2.gz YFJINIYFENMXRX-NHYWBVRUSA-N 0 3 348.834 2.544 20 10 EFCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H](C)CN2CCOCC2)c1[O-] ZINC000808697890 1281876799 /nfs/dbraw/zinc/87/67/99/1281876799.db2.gz YGHRJZXVYKUVOE-GXTWGEPZSA-N 0 3 326.868 2.973 20 10 EFCDHN CCN1CCN(Cc2cc(Br)cc(OC)c2O)[C@@H](C)C1 ZINC000809698134 1282383579 /nfs/dbraw/zinc/38/35/79/1282383579.db2.gz WKJGVBXSHYNGDL-NSHDSACASA-N 0 3 343.265 2.689 20 10 EFCDHN CC[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1NS(C)(=O)=O)c1ccccc1[O-] ZINC000809701383 1282388560 /nfs/dbraw/zinc/38/85/60/1282388560.db2.gz FGZPCZTXVSMECK-BPUTZDHNSA-N 0 3 340.489 2.541 20 10 EFCDHN CC(C)OC[C@@H](CO)N(C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000809768681 1282430781 /nfs/dbraw/zinc/43/07/81/1282430781.db2.gz SUJUODRVRQMSMD-OAHLLOKOSA-N 0 3 348.409 2.989 20 10 EFCDHN Cc1cc(Br)cc(C[N@@H+](C)[C@H](CO)COC(C)C)c1[O-] ZINC000809768350 1282431202 /nfs/dbraw/zinc/43/12/02/1282431202.db2.gz ISBWBHGDNGSWNC-CQSZACIVSA-N 0 3 346.265 2.681 20 10 EFCDHN Cc1cc(Br)cc(C[N@H+](C)[C@H](CO)COC(C)C)c1[O-] ZINC000809768350 1282431204 /nfs/dbraw/zinc/43/12/04/1282431204.db2.gz ISBWBHGDNGSWNC-CQSZACIVSA-N 0 3 346.265 2.681 20 10 EFCDHN CC[C@@H]([NH2+]C[C@@]1(O)CCN(C)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810238080 1283088265 /nfs/dbraw/zinc/08/82/65/1283088265.db2.gz XXWIKPGSKCWGED-HIFRSBDPSA-N 0 3 332.366 2.518 20 10 EFCDHN CS(=O)(=O)CC[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815571078 1287627587 /nfs/dbraw/zinc/62/75/87/1287627587.db2.gz UBWYMXBCNVJELA-QGZVFWFLSA-N 0 3 333.453 2.700 20 10 EFCDHN COc1cccc(CN2CCCC[C@@H]2COC(=O)NC2CC2)c1O ZINC000811511594 1284390171 /nfs/dbraw/zinc/39/01/71/1284390171.db2.gz OEJPIILYTWCCPF-OAHLLOKOSA-N 0 3 334.416 2.644 20 10 EFCDHN O=C1C[C@@H](NCc2ccc3c(c2)CCO3)CN1c1ccccc1F ZINC000812783017 1285416678 /nfs/dbraw/zinc/41/66/78/1285416678.db2.gz URSOBAHCGVFRJI-OAHLLOKOSA-N 0 3 326.371 2.656 20 10 EFCDHN CCN1CCN(c2cccc(NC(=O)c3cccc(CO)c3)c2)CC1 ZINC000813519831 1285959950 /nfs/dbraw/zinc/95/99/50/1285959950.db2.gz CCUSMWBEDLIGQF-UHFFFAOYSA-N 0 3 339.439 2.573 20 10 EFCDHN Cc1cc(CN2C[C@H]([NH3+])CC(F)(F)C2)c([O-])cc1Br ZINC001206155948 1286002192 /nfs/dbraw/zinc/00/21/92/1286002192.db2.gz NGQLIRNHLASDME-SNVBAGLBSA-N 0 3 335.192 2.631 20 10 EFCDHN CN(C)C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1ccc(F)cc1 ZINC000813617900 1286026365 /nfs/dbraw/zinc/02/63/65/1286026365.db2.gz FECWNYMPWNSEGQ-WJXUGBSRSA-N 0 3 344.386 2.669 20 10 EFCDHN CCOc1ccc(O)c(CNCc2cc3ccccc3n(C)c2=O)c1 ZINC000813790153 1286120132 /nfs/dbraw/zinc/12/01/32/1286120132.db2.gz JTMSFTFWTTXZLB-UHFFFAOYSA-N 0 3 338.407 2.933 20 10 EFCDHN Cc1ccc(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)c(O)c1O ZINC000813828391 1286131375 /nfs/dbraw/zinc/13/13/75/1286131375.db2.gz RXUFBBGACBDZFN-YOEHRIQHSA-N 0 3 340.423 2.799 20 10 EFCDHN COC(=O)[C@H]1CCC[C@@H](N2CCN(c3ccc(OC)cc3C)CC2)C1 ZINC001172638358 1286215818 /nfs/dbraw/zinc/21/58/18/1286215818.db2.gz WTNNVXHROHJPSV-DLBZAZTESA-N 0 3 346.471 2.857 20 10 EFCDHN Fc1cc(CN2CCOC[C@@H](C3CCC3)C2)ccc1N1CCOCC1 ZINC000814178572 1286361974 /nfs/dbraw/zinc/36/19/74/1286361974.db2.gz VROQXJOPNPXGLP-SFHVURJKSA-N 0 3 348.462 2.911 20 10 EFCDHN COC(=O)C(C)(C)N1CC[NH+](Cc2ccc3ccccc3c2[O-])CC1 ZINC000816574305 1288213197 /nfs/dbraw/zinc/21/31/97/1288213197.db2.gz CLLBNYLTRUNAFI-UHFFFAOYSA-N 0 3 342.439 2.615 20 10 EFCDHN CS(=O)(=O)[C@H]1CCC[N@H+](Cc2ccc3ccccc3c2[O-])CC1 ZINC000816600213 1288220516 /nfs/dbraw/zinc/22/05/16/1288220516.db2.gz OZXGYVJWLQVIDW-INIZCTEOSA-N 0 3 333.453 2.945 20 10 EFCDHN CS(=O)(=O)[C@H]1CCC[N@@H+](Cc2ccc3ccccc3c2[O-])CC1 ZINC000816600213 1288220521 /nfs/dbraw/zinc/22/05/21/1288220521.db2.gz OZXGYVJWLQVIDW-INIZCTEOSA-N 0 3 333.453 2.945 20 10 EFCDHN CN1CCC[C@]2(CC[N@H+](Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])C2)C1 ZINC000816641898 1288227377 /nfs/dbraw/zinc/22/73/77/1288227377.db2.gz JQKOHYJKBJIJSB-INIZCTEOSA-N 0 3 339.823 2.872 20 10 EFCDHN CN1CCC[C@]2(CC[N@@H+](Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])C2)C1 ZINC000816641898 1288227385 /nfs/dbraw/zinc/22/73/85/1288227385.db2.gz JQKOHYJKBJIJSB-INIZCTEOSA-N 0 3 339.823 2.872 20 10 EFCDHN COc1cc(Br)cc(CN2C[C@H](CO)C[C@H](C)C2)c1O ZINC000817412553 1288591606 /nfs/dbraw/zinc/59/16/06/1288591606.db2.gz MLNNKAMNAQGANH-WDEREUQCSA-N 0 3 344.249 2.614 20 10 EFCDHN CC(=O)N[C@H]1CCN(Cc2ccc3c(c2)CCN3Cc2ccccc2)C1 ZINC000817415564 1288593269 /nfs/dbraw/zinc/59/32/69/1288593269.db2.gz VAAHJCUDPKYGAW-NRFANRHFSA-N 0 3 349.478 2.960 20 10 EFCDHN COC[C@H]1CCCCN1Cc1c2ccccc2n(C)c1C(=O)OC ZINC001232402419 1312693806 /nfs/dbraw/zinc/69/38/06/1312693806.db2.gz MNXOJCJIHFCJRH-CQSZACIVSA-N 0 3 330.428 2.966 20 10 EFCDHN CC(C)n1cc([C@@H](C)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)nn1 ZINC000903447919 1312694061 /nfs/dbraw/zinc/69/40/61/1312694061.db2.gz GBRPBTPPZJQVOX-BEFAXECRSA-N 0 3 344.507 2.879 20 10 EFCDHN COC(=O)c1c(CN2CC[C@@]3(CCOC3)C2)c2ccccc2n1C ZINC001232402161 1312694104 /nfs/dbraw/zinc/69/41/04/1312694104.db2.gz IDNSNXDIMDSUBE-LJQANCHMSA-N 0 3 328.412 2.577 20 10 EFCDHN COC(=O)c1c(CN2CC[C@](C)(O)[C@@H](C)C2)c2ccccc2n1C ZINC001232402359 1312694140 /nfs/dbraw/zinc/69/41/40/1312694140.db2.gz MBJAJMDMMNATIY-DJJJIMSYSA-N 0 3 330.428 2.558 20 10 EFCDHN COC(=O)c1c(CN2CC[C@H](C)[C@@H](O)CC2)c2ccccc2n1C ZINC001232402576 1312694224 /nfs/dbraw/zinc/69/42/24/1312694224.db2.gz PQXWQQQQIREPPF-GUYCJALGSA-N 0 3 330.428 2.558 20 10 EFCDHN COC(=O)c1c(CN2CCCC3(COC3)C2)c2ccccc2n1C ZINC001232402494 1312694310 /nfs/dbraw/zinc/69/43/10/1312694310.db2.gz OPDYQLZRSFYECN-UHFFFAOYSA-N 0 3 328.412 2.577 20 10 EFCDHN COC(=O)c1c(CN2C[C@@H](CO)CC[C@H]2C)c2ccccc2n1C ZINC001232401905 1312694484 /nfs/dbraw/zinc/69/44/84/1312694484.db2.gz GJDBOLIDQCIEDQ-KGLIPLIRSA-N 0 3 330.428 2.558 20 10 EFCDHN COC(=O)c1c(CN2CCCC[C@](C)(O)C2)c2ccccc2n1C ZINC001232403390 1312694734 /nfs/dbraw/zinc/69/47/34/1312694734.db2.gz XIJMFWLVLZUYMQ-IBGZPJMESA-N 0 3 330.428 2.702 20 10 EFCDHN COC(=O)c1c(CN2CCC[C@@](F)(CO)CC2)c2ccccc2n1C ZINC001232403146 1312694839 /nfs/dbraw/zinc/69/48/39/1312694839.db2.gz VFWDICTZIBWXAB-IBGZPJMESA-N 0 3 348.418 2.651 20 10 EFCDHN COC(=O)c1c(CN2CCC[C@H](CO)CC2)c2ccccc2n1C ZINC001232403155 1312695196 /nfs/dbraw/zinc/69/51/96/1312695196.db2.gz VLDMGBMTJSQMLH-AWEZNQCLSA-N 0 3 330.428 2.559 20 10 EFCDHN C[C@H](NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1cc2n(n1)CCC2 ZINC000903449207 1312695312 /nfs/dbraw/zinc/69/53/12/1312695312.db2.gz WQJOCYIIENQOST-YWZLYKJASA-N 0 3 341.503 2.849 20 10 EFCDHN C[C@H](NC[C@H](c1ccc(N(C)C)cc1)N(C)C)c1cc2n(n1)CCC2 ZINC000903449205 1312695745 /nfs/dbraw/zinc/69/57/45/1312695745.db2.gz WQJOCYIIENQOST-MGPUTAFESA-N 0 3 341.503 2.849 20 10 EFCDHN COC(=O)c1c(CN2C[C@@H]3CCCC(=O)[C@@H]3C2)c2ccccc2n1C ZINC001232410820 1312697138 /nfs/dbraw/zinc/69/71/38/1312697138.db2.gz TYCMQHLKZXGLTL-DZGCQCFKSA-N 0 3 340.423 2.766 20 10 EFCDHN O=C1CN(Cc2c(O)ccc3cc(Br)ccc32)CCCN1 ZINC000872825391 1289408540 /nfs/dbraw/zinc/40/85/40/1289408540.db2.gz JYLCTMAPSDZGIR-UHFFFAOYSA-N 0 3 349.228 2.630 20 10 EFCDHN CCN1CCN(c2ccc(CNCc3ccncc3F)cc2F)CC1 ZINC000823801691 1289462631 /nfs/dbraw/zinc/46/26/31/1289462631.db2.gz NLVGPOSSQMSDDJ-UHFFFAOYSA-N 0 3 346.425 2.792 20 10 EFCDHN Cc1cc(N(C)C)ccc1CNCc1cccc(S(C)(=O)=O)c1 ZINC000823850450 1289469094 /nfs/dbraw/zinc/46/90/94/1289469094.db2.gz DDAZDZNQWAHCDV-UHFFFAOYSA-N 0 3 332.469 2.754 20 10 EFCDHN COc1ccc(CN[C@@H]2C[C@H]2C(F)(F)F)cc1Cn1cccn1 ZINC000873148377 1289601420 /nfs/dbraw/zinc/60/14/20/1289601420.db2.gz AKMWVYLVROENKJ-ZIAGYGMSSA-N 0 3 325.334 2.980 20 10 EFCDHN COc1ccc(C[NH2+]C[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)c([O-])c1 ZINC000824321155 1289605336 /nfs/dbraw/zinc/60/53/36/1289605336.db2.gz PGBCAVHHQXLOGY-LIRRHRJNSA-N 0 3 348.443 2.747 20 10 EFCDHN COc1cc(Br)cc(C[NH2+]CC[C@H](C)CCO)c1[O-] ZINC000824514710 1289679114 /nfs/dbraw/zinc/67/91/14/1289679114.db2.gz BQBTWQYQAHPFAG-JTQLQIEISA-N 0 3 332.238 2.662 20 10 EFCDHN COc1cc(Cl)cc(C[NH2+]C[C@H](O)Cc2cccc(F)c2)c1[O-] ZINC000824509938 1289694115 /nfs/dbraw/zinc/69/41/15/1289694115.db2.gz QQPVGDNVNCGWEN-OAHLLOKOSA-N 0 3 339.794 2.887 20 10 EFCDHN CN(C)C(=O)O[C@@H]1CCN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC000824571129 1289703438 /nfs/dbraw/zinc/70/34/38/1289703438.db2.gz KAZHCLBTYIDNAE-GOSISDBHSA-N 0 3 331.460 2.949 20 10 EFCDHN COc1cc(Br)cc(C[NH2+]CCC(C)(C)CO)c1[O-] ZINC000824603528 1289722003 /nfs/dbraw/zinc/72/20/03/1289722003.db2.gz SMQXJSTVCTYOKK-UHFFFAOYSA-N 0 3 332.238 2.662 20 10 EFCDHN CCN1CCN(Cc2cc(Br)cc(C)c2O)C[C@@H]1C ZINC000124596251 1289955815 /nfs/dbraw/zinc/95/58/15/1289955815.db2.gz HYQGZTYWRJSEQH-LBPRGKRZSA-N 0 3 327.266 2.989 20 10 EFCDHN [O-]c1cccc2c1[C@H]([NH2+][C@@H]1CCc3ncc(Br)n3C1)CC2 ZINC000903481118 1312748326 /nfs/dbraw/zinc/74/83/26/1312748326.db2.gz VICSSEFVHMATIS-VXGBXAGGSA-N 0 3 348.244 2.943 20 10 EFCDHN COc1cc(Br)cc(CN2CCC[C@@H](C)[C@@H]2CO)c1O ZINC001204336377 1290175435 /nfs/dbraw/zinc/17/54/35/1290175435.db2.gz MCSXUHDHMWESIL-MFKMUULPSA-N 0 3 344.249 2.756 20 10 EFCDHN COC(=O)CCN(Cc1ccco1)Cc1ccc(N(C)C)cc1O ZINC001232838257 1312792591 /nfs/dbraw/zinc/79/25/91/1312792591.db2.gz BZPKKUUZMCMZAP-UHFFFAOYSA-N 0 3 332.400 2.617 20 10 EFCDHN COC(=O)[C@@H]1CN(Cc2ccc(N(C)C)cc2O)Cc2ccccc21 ZINC001232841250 1312792871 /nfs/dbraw/zinc/79/28/71/1312792871.db2.gz ZOMLTKVUMCNHSQ-GOSISDBHSA-N 0 3 340.423 2.731 20 10 EFCDHN CN(C)c1ccc(CN2CC(C)(CNC(=O)OC(C)(C)C)C2)c(O)c1 ZINC001232841696 1312793215 /nfs/dbraw/zinc/79/32/15/1312793215.db2.gz OUKWXJVMNAHXOL-UHFFFAOYSA-N 0 3 349.475 2.805 20 10 EFCDHN COC(=O)c1cc(CN2CCCN(c3ccc(OC)cc3)CC2)c[nH]1 ZINC000092380801 1290687300 /nfs/dbraw/zinc/68/73/00/1290687300.db2.gz LZAWCXNJPYJTHW-UHFFFAOYSA-N 0 3 343.427 2.522 20 10 EFCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000876753072 1291006417 /nfs/dbraw/zinc/00/64/17/1291006417.db2.gz IAZKYVVSDUAODV-ZDUSSCGKSA-N 0 3 328.372 2.690 20 10 EFCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000876753072 1291006425 /nfs/dbraw/zinc/00/64/25/1291006425.db2.gz IAZKYVVSDUAODV-ZDUSSCGKSA-N 0 3 328.372 2.690 20 10 EFCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000876753071 1291006751 /nfs/dbraw/zinc/00/67/51/1291006751.db2.gz IAZKYVVSDUAODV-CYBMUJFWSA-N 0 3 328.372 2.690 20 10 EFCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000876753071 1291006761 /nfs/dbraw/zinc/00/67/61/1291006761.db2.gz IAZKYVVSDUAODV-CYBMUJFWSA-N 0 3 328.372 2.690 20 10 EFCDHN Cc1ccc([C@@H](C[NH2+]Cc2ccc(C)cc2[O-])N2CCOCC2)o1 ZINC000876904767 1291068007 /nfs/dbraw/zinc/06/80/07/1291068007.db2.gz KCFBIUNNWPTFEV-QGZVFWFLSA-N 0 3 330.428 2.765 20 10 EFCDHN Cc1ccc(CNCCS(=O)(=O)c2ccc(Cl)cc2)c(O)c1 ZINC000876981480 1291096496 /nfs/dbraw/zinc/09/64/96/1291096496.db2.gz QYEXAHQVBJACLH-UHFFFAOYSA-N 0 3 339.844 2.918 20 10 EFCDHN Cc1cccc(O)c1CNCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000876978780 1291097318 /nfs/dbraw/zinc/09/73/18/1291097318.db2.gz UZXBUIZLNMYYGB-UHFFFAOYSA-N 0 3 339.844 2.918 20 10 EFCDHN OCC[C@@H](NCc1ccc(N2CCC(O)CC2)cc1)c1cccs1 ZINC000877050283 1291117097 /nfs/dbraw/zinc/11/70/97/1291117097.db2.gz KTMCHKOVVKTPNE-GOSISDBHSA-N 0 3 346.496 2.923 20 10 EFCDHN COc1cc(C[C@H](CO)C[NH2+]Cc2c(C)cccc2[O-])cc(OC)c1 ZINC000877077086 1291127088 /nfs/dbraw/zinc/12/70/88/1291127088.db2.gz WKZLDAIGDBVIBT-INIZCTEOSA-N 0 3 345.439 2.659 20 10 EFCDHN CCOc1ccc(C[N@@H+]2CC[C@@H](OCc3ccccn3)C2)c([O-])c1 ZINC000877645786 1291305868 /nfs/dbraw/zinc/30/58/68/1291305868.db2.gz WLZDWBCDTXNBAG-GOSISDBHSA-N 0 3 328.412 2.977 20 10 EFCDHN CCOc1ccc(C[N@H+]2CC[C@@H](OCc3ccccn3)C2)c([O-])c1 ZINC000877645786 1291305873 /nfs/dbraw/zinc/30/58/73/1291305873.db2.gz WLZDWBCDTXNBAG-GOSISDBHSA-N 0 3 328.412 2.977 20 10 EFCDHN COCC[C@H](C[NH2+][C@H](C)c1ccccc1[O-])NC(=O)OC(C)(C)C ZINC000877755492 1291361151 /nfs/dbraw/zinc/36/11/51/1291361151.db2.gz CNJXWEKTTSTJNH-ZIAGYGMSSA-N 0 3 338.448 2.973 20 10 EFCDHN COC(=O)CCn1nc(C)c(C[NH2+][C@H](C)c2ccccc2[O-])c1C ZINC000877756260 1291361651 /nfs/dbraw/zinc/36/16/51/1291361651.db2.gz CNLVLLAQXQDLIY-GFCCVEGCSA-N 0 3 331.416 2.619 20 10 EFCDHN Cc1cc(Br)cc(CN2CC[C@@H](O)[C@@H](F)CC2)c1O ZINC001233105970 1312855837 /nfs/dbraw/zinc/85/58/37/1312855837.db2.gz FSCBKJAZWWQZTH-QWHCGFSZSA-N 0 3 332.213 2.758 20 10 EFCDHN COc1cc([O-])c(CN2CCC[C@H]([NH+](C)C)C2)cc1Br ZINC001233139623 1312863961 /nfs/dbraw/zinc/86/39/61/1312863961.db2.gz MQULGFHXXMYGHU-LBPRGKRZSA-N 0 3 343.265 2.689 20 10 EFCDHN CCOC(=O)c1c(CN2CC[C@@H](C)[C@@H](O)CC2)c2ccccc2n1C ZINC001233270232 1312889356 /nfs/dbraw/zinc/88/93/56/1312889356.db2.gz FZTULVVWCXLZFH-KDOFPFPSSA-N 0 3 344.455 2.948 20 10 EFCDHN CCOC(=O)c1c(CN2CCC[C@H](O)CC2)c2ccccc2n1C ZINC001233270388 1312890231 /nfs/dbraw/zinc/89/02/31/1312890231.db2.gz LZYRVCLKLDKCBR-AWEZNQCLSA-N 0 3 330.428 2.702 20 10 EFCDHN CCOC(=O)c1c(CN2CCN(CC)C[C@H]2C)c2ccccc2n1C ZINC001233273636 1312890872 /nfs/dbraw/zinc/89/08/72/1312890872.db2.gz LJQYEUDIUKZNFI-OAHLLOKOSA-N 0 3 343.471 2.881 20 10 EFCDHN CCOC(=O)c1c(CN2CC[C@H]3OCC[C@@H]3C2)c2ccccc2n1C ZINC001233272864 1312891208 /nfs/dbraw/zinc/89/12/08/1312891208.db2.gz FGNBJVRBJPVWHD-RDTXWAMCSA-N 0 3 342.439 2.966 20 10 EFCDHN COC(=O)[C@H]1C[C@H](C)CN(Cc2cc(Cl)cc(OC)c2O)C1 ZINC001233290136 1312896166 /nfs/dbraw/zinc/89/61/66/1312896166.db2.gz LIIJEYHGQWHMLK-JQWIXIFHSA-N 0 3 327.808 2.685 20 10 EFCDHN COC(=O)[C@H]1C[C@H](C)C[N@H+](Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC001233290136 1312896170 /nfs/dbraw/zinc/89/61/70/1312896170.db2.gz LIIJEYHGQWHMLK-JQWIXIFHSA-N 0 3 327.808 2.685 20 10 EFCDHN COC(=O)[C@H]1C[C@H](C)C[N@@H+](Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC001233290136 1312896174 /nfs/dbraw/zinc/89/61/74/1312896174.db2.gz LIIJEYHGQWHMLK-JQWIXIFHSA-N 0 3 327.808 2.685 20 10 EFCDHN COC(=O)[C@@H]1CC[C@@H](C)N(Cc2cc(Cl)cc(OC)c2O)C1 ZINC001233287795 1312896277 /nfs/dbraw/zinc/89/62/77/1312896277.db2.gz HOOLASUCRAIHCB-GHMZBOCLSA-N 0 3 327.808 2.828 20 10 EFCDHN COC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC001233287795 1312896281 /nfs/dbraw/zinc/89/62/81/1312896281.db2.gz HOOLASUCRAIHCB-GHMZBOCLSA-N 0 3 327.808 2.828 20 10 EFCDHN COC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC001233287795 1312896285 /nfs/dbraw/zinc/89/62/85/1312896285.db2.gz HOOLASUCRAIHCB-GHMZBOCLSA-N 0 3 327.808 2.828 20 10 EFCDHN C[C@@H]([NH2+]CC(=O)NCCO[C@@H]1CCCC[C@@H]1C)c1ccccc1[O-] ZINC000879648222 1292218302 /nfs/dbraw/zinc/21/83/02/1292218302.db2.gz FKRQIHGIXHAVRN-HDMKZQKVSA-N 0 3 334.460 2.754 20 10 EFCDHN C[C@@H]([NH2+]CC(=O)NCCCOc1ccccc1F)c1ccccc1[O-] ZINC000879648694 1292218632 /nfs/dbraw/zinc/21/86/32/1292218632.db2.gz ZNIAVSBVYDICRD-CQSZACIVSA-N 0 3 346.402 2.767 20 10 EFCDHN C[C@@H]([NH2+]C[C@](C)(O)CN(C)C(=O)OC(C)(C)C)c1ccccc1[O-] ZINC000879649157 1292218758 /nfs/dbraw/zinc/21/87/58/1292218758.db2.gz JWDOEGNDDCBANO-ACJLOTCBSA-N 0 3 338.448 2.661 20 10 EFCDHN COC(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2[O-])CC1 ZINC001233452041 1312934785 /nfs/dbraw/zinc/93/47/85/1312934785.db2.gz IMCTUBZTNJEMIK-UHFFFAOYSA-N 0 3 332.322 2.685 20 10 EFCDHN COC(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2[O-])CC1 ZINC001233452041 1312934789 /nfs/dbraw/zinc/93/47/89/1312934789.db2.gz IMCTUBZTNJEMIK-UHFFFAOYSA-N 0 3 332.322 2.685 20 10 EFCDHN Cc1ccnc(O[C@@H]2CCCN(Cc3cc(O)c(O)cc3O)C2)c1 ZINC001233486828 1312940208 /nfs/dbraw/zinc/94/02/08/1312940208.db2.gz DTHIJEUOCZOSMY-CQSZACIVSA-N 0 3 330.384 2.550 20 10 EFCDHN CCCc1noc([C@@H]2CCCN(Cc3cc(O)c(O)cc3O)C2)n1 ZINC001233486698 1312940473 /nfs/dbraw/zinc/94/04/73/1312940473.db2.gz YGWVQMVNLLGCOG-LLVKDONJSA-N 0 3 333.388 2.519 20 10 EFCDHN CCCc1noc([C@H]2CCCN(Cc3cc(O)c(O)cc3O)C2)n1 ZINC001233486699 1312940621 /nfs/dbraw/zinc/94/06/21/1312940621.db2.gz YGWVQMVNLLGCOG-NSHDSACASA-N 0 3 333.388 2.519 20 10 EFCDHN Cc1cccnc1O[C@H]1CCCN(Cc2cc(O)c(O)cc2O)C1 ZINC001233486805 1312940768 /nfs/dbraw/zinc/94/07/68/1312940768.db2.gz CXJLCFSFBOQRJY-AWEZNQCLSA-N 0 3 330.384 2.550 20 10 EFCDHN C[C@@H]1CN(Cc2cc(O)c(O)cc2O)[C@H](C)CN1Cc1ccccc1 ZINC001233487681 1312941401 /nfs/dbraw/zinc/94/14/01/1312941401.db2.gz NZUHUBDPDPMUSH-HUUCEWRRSA-N 0 3 342.439 2.898 20 10 EFCDHN CC[C@H]([NH2+]C[C@H](C)CN1CCN(C)CC1)c1cc(Cl)ccc1[O-] ZINC000775498100 1292752385 /nfs/dbraw/zinc/75/23/85/1292752385.db2.gz HDMNJNUIWLACTE-YOEHRIQHSA-N 0 3 339.911 2.970 20 10 EFCDHN CC(C)(C)OC(=O)N1CCO[C@H]2CN(Cc3ccccc3O)CC[C@@H]21 ZINC001203550565 1312953438 /nfs/dbraw/zinc/95/34/38/1312953438.db2.gz ZUEMASJOMTWLOP-RDJZCZTQSA-N 0 3 348.443 2.602 20 10 EFCDHN Oc1ccccc1CN1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@@H]21 ZINC001203552589 1312954052 /nfs/dbraw/zinc/95/40/52/1312954052.db2.gz OOUWLCOPJGGPTI-HHXXYDBFSA-N 0 3 340.423 2.846 20 10 EFCDHN CC(C)C(=O)NC[C@@H]1CCC[C@]2(CC[N@H+](Cc3ccccc3[O-])C2)O1 ZINC001203556390 1312955555 /nfs/dbraw/zinc/95/55/55/1312955555.db2.gz ONSHDHCDJHSIIH-FXAWDEMLSA-N 0 3 346.471 2.678 20 10 EFCDHN CC(C)C(=O)NC[C@@H]1CCC[C@]2(CC[N@@H+](Cc3ccccc3[O-])C2)O1 ZINC001203556390 1312955558 /nfs/dbraw/zinc/95/55/58/1312955558.db2.gz ONSHDHCDJHSIIH-FXAWDEMLSA-N 0 3 346.471 2.678 20 10 EFCDHN O=C(NC1CC[NH+](Cc2ccccc2[O-])CC1)c1cccc(F)c1 ZINC001203560824 1312956235 /nfs/dbraw/zinc/95/62/35/1312956235.db2.gz GYDGUHLYNUCWLI-UHFFFAOYSA-N 0 3 328.387 2.926 20 10 EFCDHN CCOc1cccc(CN2CCC[C@H](Oc3cnccn3)C2)c1O ZINC001203617687 1312972542 /nfs/dbraw/zinc/97/25/42/1312972542.db2.gz UKAMSEWWASUEIG-HNNXBMFYSA-N 0 3 329.400 2.624 20 10 EFCDHN COc1ccc(C[N@@H+]2CCCN(c3ccc(F)cn3)CC2)c([O-])c1 ZINC001203621581 1312973517 /nfs/dbraw/zinc/97/35/17/1312973517.db2.gz XXGAMDLSFSCWFO-UHFFFAOYSA-N 0 3 331.391 2.647 20 10 EFCDHN COc1ccc(C[N@H+]2CCCN(c3ccc(F)cn3)CC2)c([O-])c1 ZINC001203621581 1312973519 /nfs/dbraw/zinc/97/35/19/1312973519.db2.gz XXGAMDLSFSCWFO-UHFFFAOYSA-N 0 3 331.391 2.647 20 10 EFCDHN COc1ccc(C[N@@H+]2CC[C@H]3O[C@@H](COCC4CC4)CC[C@H]32)c([O-])c1 ZINC001203623188 1312974144 /nfs/dbraw/zinc/97/41/44/1312974144.db2.gz LYJJKDAFXNGSPI-QWFCFKBJSA-N 0 3 347.455 2.949 20 10 EFCDHN COc1ccc(C[N@H+]2CC[C@H]3O[C@@H](COCC4CC4)CC[C@H]32)c([O-])c1 ZINC001203623188 1312974147 /nfs/dbraw/zinc/97/41/47/1312974147.db2.gz LYJJKDAFXNGSPI-QWFCFKBJSA-N 0 3 347.455 2.949 20 10 EFCDHN COc1ccc(C[N@@H+]2CC[C@]3(C2)c2ccccc2N(C)C3=O)c([O-])c1 ZINC001203628643 1312975630 /nfs/dbraw/zinc/97/56/30/1312975630.db2.gz DKIAVGVOIKJZSI-FQEVSTJZSA-N 0 3 338.407 2.521 20 10 EFCDHN COc1ccc(C[N@H+]2CC[C@]3(C2)c2ccccc2N(C)C3=O)c([O-])c1 ZINC001203628643 1312975632 /nfs/dbraw/zinc/97/56/32/1312975632.db2.gz DKIAVGVOIKJZSI-FQEVSTJZSA-N 0 3 338.407 2.521 20 10 EFCDHN COc1ccc(C[N@@H+]2CCC[C@@H](C(=O)N3CCCCC3)C2)c([O-])c1 ZINC001203628846 1312975689 /nfs/dbraw/zinc/97/56/89/1312975689.db2.gz HGSOGVWONDYJKC-MRXNPFEDSA-N 0 3 332.444 2.625 20 10 EFCDHN COc1ccc(C[N@H+]2CCC[C@@H](C(=O)N3CCCCC3)C2)c([O-])c1 ZINC001203628846 1312975691 /nfs/dbraw/zinc/97/56/91/1312975691.db2.gz HGSOGVWONDYJKC-MRXNPFEDSA-N 0 3 332.444 2.625 20 10 EFCDHN COc1ccc(C[NH+]2CCC(NC(=O)CC(C)(C)C)CC2)c([O-])c1 ZINC001203634811 1312977585 /nfs/dbraw/zinc/97/75/85/1312977585.db2.gz WOHVQFKGVNMRLA-UHFFFAOYSA-N 0 3 334.460 2.918 20 10 EFCDHN [O-]c1c(C[N@H+]2CCCC[C@](O)(CF)C2)cccc1OC(F)(F)F ZINC001233727141 1312978861 /nfs/dbraw/zinc/97/88/61/1312978861.db2.gz JCYDTQQGNYGAAB-AWEZNQCLSA-N 0 3 337.313 2.977 20 10 EFCDHN [O-]c1c(C[N@@H+]2CCCC[C@](O)(CF)C2)cccc1OC(F)(F)F ZINC001233727141 1312978863 /nfs/dbraw/zinc/97/88/63/1312978863.db2.gz JCYDTQQGNYGAAB-AWEZNQCLSA-N 0 3 337.313 2.977 20 10 EFCDHN CN(C)C(=O)[C@H]1CCC[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])C1 ZINC001233754827 1312984607 /nfs/dbraw/zinc/98/46/07/1312984607.db2.gz LZMNIFOVBDYOGJ-LBPRGKRZSA-N 0 3 346.349 2.591 20 10 EFCDHN CN(C)C(=O)[C@H]1CCC[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])C1 ZINC001233754827 1312984611 /nfs/dbraw/zinc/98/46/11/1312984611.db2.gz LZMNIFOVBDYOGJ-LBPRGKRZSA-N 0 3 346.349 2.591 20 10 EFCDHN C[C@H]1C[C@@H]([NH2+]CCCCCS(C)(=O)=O)c2c1c(F)ccc2[O-] ZINC000775585766 1293223876 /nfs/dbraw/zinc/22/38/76/1293223876.db2.gz IUFCWDJZBWFJSY-WCQYABFASA-N 0 3 329.437 2.884 20 10 EFCDHN O=C1CCC2(CC[NH+](Cc3cccc(OC(F)(F)F)c3[O-])CC2)N1 ZINC001233775983 1312989816 /nfs/dbraw/zinc/98/98/16/1312989816.db2.gz IRWYRRCRDVCFCL-UHFFFAOYSA-N 0 3 344.333 2.535 20 10 EFCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCOC4(CCOCC4)C3)c2c1 ZINC000131217765 1293505096 /nfs/dbraw/zinc/50/50/96/1293505096.db2.gz FFWRZEQPWRRYHN-UHFFFAOYSA-N 0 3 343.423 2.935 20 10 EFCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCOC4(CCOCC4)C3)c2c1 ZINC000131217765 1293505102 /nfs/dbraw/zinc/50/51/02/1293505102.db2.gz FFWRZEQPWRRYHN-UHFFFAOYSA-N 0 3 343.423 2.935 20 10 EFCDHN Oc1ccc(CN2CC[C@H]3[C@H](CCN3Cc3nccs3)C2)cc1O ZINC001203876659 1313038842 /nfs/dbraw/zinc/03/88/42/1313038842.db2.gz HBMCRYNVINRPNV-CABCVRRESA-N 0 3 345.468 2.651 20 10 EFCDHN Cc1ncc(CN(C)Cc2ccc(N3CCN(C)CC3)cc2)s1 ZINC000775659052 1293939108 /nfs/dbraw/zinc/93/91/08/1293939108.db2.gz UMXZSURJZZEPTA-UHFFFAOYSA-N 0 3 330.501 2.835 20 10 EFCDHN Oc1ccc(CN2CCCN(Cc3ccc(F)cc3)CC2)cc1O ZINC001203882957 1313040408 /nfs/dbraw/zinc/04/04/08/1313040408.db2.gz YMYCBMLJLYYOSE-UHFFFAOYSA-N 0 3 330.403 2.945 20 10 EFCDHN CC(C)Oc1ncnc2c1CCN(Cc1ccc(N(C)C)cc1)CC2 ZINC001203932283 1313050507 /nfs/dbraw/zinc/05/05/07/1313050507.db2.gz XTFANYHWBCICPO-UHFFFAOYSA-N 0 3 340.471 2.931 20 10 EFCDHN Cc1cncnc1O[C@H]1CCCN(Cc2ccc(N(C)C)cc2)C1 ZINC001203935222 1313051079 /nfs/dbraw/zinc/05/10/79/1313051079.db2.gz AJPKIKNYMPQDOH-SFHVURJKSA-N 0 3 326.444 2.894 20 10 EFCDHN CN(C)c1ccc(CN2CCC(Oc3ncc(F)cn3)CC2)cc1 ZINC001203937523 1313051669 /nfs/dbraw/zinc/05/16/69/1313051669.db2.gz UVLXQRAEQLYWGO-UHFFFAOYSA-N 0 3 330.407 2.725 20 10 EFCDHN COC(=O)[C@@H]1C[N@H+](Cc2cc(Br)cc(C)c2[O-])C[C@H]1C ZINC000775724589 1294283517 /nfs/dbraw/zinc/28/35/17/1294283517.db2.gz NXNWCYSRIGJMQK-ZWNOBZJWSA-N 0 3 342.233 2.704 20 10 EFCDHN COC(=O)[C@@H]1C[N@@H+](Cc2cc(Br)cc(C)c2[O-])C[C@H]1C ZINC000775724589 1294283523 /nfs/dbraw/zinc/28/35/23/1294283523.db2.gz NXNWCYSRIGJMQK-ZWNOBZJWSA-N 0 3 342.233 2.704 20 10 EFCDHN C[C@@H]1CCNC(=O)[C@@H]1NCc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796376075 1294590455 /nfs/dbraw/zinc/59/04/55/1294590455.db2.gz LYDNKGXOAOAZRK-IIBYNOLFSA-N 0 3 349.478 2.864 20 10 EFCDHN CC(C)(C)c1ccc(O)c(CN2CC3(CN(Cc4cn[nH]c4)C3)C2)c1 ZINC001276446227 1313097389 /nfs/dbraw/zinc/09/73/89/1313097389.db2.gz URJTUHMWFIQTMJ-UHFFFAOYSA-N 0 3 340.471 2.731 20 10 EFCDHN CN(C)c1ccc(CN2CC(N(C)[C@@H]3CCOC3)C2)c2ccccc21 ZINC001204243426 1313107345 /nfs/dbraw/zinc/10/73/45/1313107345.db2.gz ZXDOFKXVFWTOBZ-QGZVFWFLSA-N 0 3 339.483 2.811 20 10 EFCDHN [O-]c1cc(O)ccc1C[N@@H+]1C[C@@H]2COC[C@]2(COCC2CCCC2)C1 ZINC001204275106 1313113186 /nfs/dbraw/zinc/11/31/86/1313113186.db2.gz WXHUGWXWENERQQ-YLJYHZDGSA-N 0 3 347.455 2.753 20 10 EFCDHN [O-]c1cc(O)ccc1C[N@H+]1C[C@@H]2COC[C@]2(COCC2CCCC2)C1 ZINC001204275106 1313113189 /nfs/dbraw/zinc/11/31/89/1313113189.db2.gz WXHUGWXWENERQQ-YLJYHZDGSA-N 0 3 347.455 2.753 20 10 EFCDHN O=C1N(c2ccsc2)CC[C@]12CC[N@@H+](Cc1ccc(O)cc1[O-])C2 ZINC001204273737 1313113484 /nfs/dbraw/zinc/11/34/84/1313113484.db2.gz SRTISWBPHLJFOY-SFHVURJKSA-N 0 3 344.436 2.788 20 10 EFCDHN O=C1N(c2ccsc2)CC[C@]12CC[N@H+](Cc1ccc(O)cc1[O-])C2 ZINC001204273737 1313113487 /nfs/dbraw/zinc/11/34/87/1313113487.db2.gz SRTISWBPHLJFOY-SFHVURJKSA-N 0 3 344.436 2.788 20 10 EFCDHN O=C(NC1CC[NH+](Cc2ccc(O)cc2[O-])CC1)c1ccc(F)cc1 ZINC001204277379 1313115041 /nfs/dbraw/zinc/11/50/41/1313115041.db2.gz BXBTUVRZURTFIU-UHFFFAOYSA-N 0 3 344.386 2.631 20 10 EFCDHN C[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CN1Cc1ccc(O)cc1O ZINC001204279250 1313115249 /nfs/dbraw/zinc/11/52/49/1313115249.db2.gz UARJIFAEMSRONZ-JSGCOSHPSA-N 0 3 336.432 2.975 20 10 EFCDHN C[C@@H]1CCN(Cc2ccc(O)cc2O)C[C@H]1NC(=O)OC(C)(C)C ZINC001204277340 1313115265 /nfs/dbraw/zinc/11/52/65/1313115265.db2.gz ZXWWJDQOWHNXEP-IUODEOHRSA-N 0 3 336.432 2.833 20 10 EFCDHN Oc1ccc(CN2CCN(c3nccc4ccccc43)CC2)c(O)c1 ZINC001204278755 1313115394 /nfs/dbraw/zinc/11/53/94/1313115394.db2.gz JOFCUOOMBMRGGS-UHFFFAOYSA-N 0 3 335.407 2.968 20 10 EFCDHN CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CC[C@H]1C[N@@H+](Cc1ccc(O)cc1[O-])C2 ZINC001204278693 1313115579 /nfs/dbraw/zinc/11/55/79/1313115579.db2.gz INFXZIBHCSJGGM-XOIINTDNSA-N 0 3 348.443 2.833 20 10 EFCDHN CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1ccc(O)cc1[O-])C2 ZINC001204278693 1313115582 /nfs/dbraw/zinc/11/55/82/1313115582.db2.gz INFXZIBHCSJGGM-XOIINTDNSA-N 0 3 348.443 2.833 20 10 EFCDHN CC(C)(C)OC(=O)NC1CC2(C1)CN(Cc1ccc(O)cc1O)C2 ZINC001204279430 1313116070 /nfs/dbraw/zinc/11/60/70/1313116070.db2.gz YWDUAHFVIXRIIP-UHFFFAOYSA-N 0 3 334.416 2.587 20 10 EFCDHN C[C@@H](NCC(=O)NCCc1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000775834355 1294977906 /nfs/dbraw/zinc/97/79/06/1294977906.db2.gz SHETZKPPSGPNFS-OAHLLOKOSA-N 0 3 343.446 2.901 20 10 EFCDHN COc1cc(Br)cc(CN2CC[C@@H](O)[C@@H](C)CC2)c1O ZINC001204336485 1313125086 /nfs/dbraw/zinc/12/50/86/1313125086.db2.gz SIAOTSAJHVZTIO-GXFFZTMASA-N 0 3 344.249 2.756 20 10 EFCDHN CCOC(=O)CC[N@H+](C)Cc1cc(Br)cc(OC)c1[O-] ZINC001204339968 1313125194 /nfs/dbraw/zinc/12/51/94/1313125194.db2.gz ZFXHAMJCNWPPKM-UHFFFAOYSA-N 0 3 346.221 2.548 20 10 EFCDHN CCOC(=O)CC[N@@H+](C)Cc1cc(Br)cc(OC)c1[O-] ZINC001204339968 1313125196 /nfs/dbraw/zinc/12/51/96/1313125196.db2.gz ZFXHAMJCNWPPKM-UHFFFAOYSA-N 0 3 346.221 2.548 20 10 EFCDHN Cc1cc(F)cc(C[N@@H+]2CC[C@]3(CCN(CC(F)F)C3=O)C2)c1[O-] ZINC001274100063 1295452281 /nfs/dbraw/zinc/45/22/81/1295452281.db2.gz UKJNGULSMSOOGC-KRWDZBQOSA-N 0 3 342.361 2.529 20 10 EFCDHN Cc1cc(F)cc(C[N@H+]2CC[C@]3(CCN(CC(F)F)C3=O)C2)c1[O-] ZINC001274100063 1295452285 /nfs/dbraw/zinc/45/22/85/1295452285.db2.gz UKJNGULSMSOOGC-KRWDZBQOSA-N 0 3 342.361 2.529 20 10 EFCDHN CC[N@H+](CCN1CCOCC1)Cc1c([O-])ccc2ccc(OC)cc21 ZINC001234562500 1313158381 /nfs/dbraw/zinc/15/83/81/1313158381.db2.gz OLLCKSQACYWXCH-UHFFFAOYSA-N 0 3 344.455 2.708 20 10 EFCDHN CC[N@@H+](CCN1CCOCC1)Cc1c([O-])ccc2ccc(OC)cc21 ZINC001234562500 1313158384 /nfs/dbraw/zinc/15/83/84/1313158384.db2.gz OLLCKSQACYWXCH-UHFFFAOYSA-N 0 3 344.455 2.708 20 10 EFCDHN COc1ccc2ccc([O-])c(C[N@H+](C)[C@@H]3CCCN(C(C)=O)C3)c2c1 ZINC001234570272 1313160216 /nfs/dbraw/zinc/16/02/16/1313160216.db2.gz XOLZGLRZHAGOHO-MRXNPFEDSA-N 0 3 342.439 2.997 20 10 EFCDHN COc1ccc2ccc([O-])c(C[N@@H+](C)[C@@H]3CCCN(C(C)=O)C3)c2c1 ZINC001234570272 1313160218 /nfs/dbraw/zinc/16/02/18/1313160218.db2.gz XOLZGLRZHAGOHO-MRXNPFEDSA-N 0 3 342.439 2.997 20 10 EFCDHN COc1cc(Br)cc(CN2C[C@H](C)N(C)C[C@@H]2C)c1O ZINC000775984900 1295561566 /nfs/dbraw/zinc/56/15/66/1295561566.db2.gz HSMNOIJVXHEHBM-QWRGUYRKSA-N 0 3 343.265 2.688 20 10 EFCDHN CCN1CCN(c2ccc(OC3CCC(C(=O)OC)CC3)cc2)CC1 ZINC001234657192 1313178976 /nfs/dbraw/zinc/17/89/76/1313178976.db2.gz CKUSKSNKVWMGRZ-UHFFFAOYSA-N 0 3 346.471 2.939 20 10 EFCDHN CCOC(=O)[C@H]1CC[C@@H](Oc2ccc(N3CCN(CC)CC3)cc2)C1 ZINC001234661891 1313180066 /nfs/dbraw/zinc/18/00/66/1313180066.db2.gz WYXWCJIQVHEBGM-QFBILLFUSA-N 0 3 346.471 2.939 20 10 EFCDHN CCOC(=O)[C@@H]1CC[C@@H](Oc2ccc(N3CCN(CC)CC3)cc2)C1 ZINC001234661894 1313180068 /nfs/dbraw/zinc/18/00/68/1313180068.db2.gz WYXWCJIQVHEBGM-VQIMIIECSA-N 0 3 346.471 2.939 20 10 EFCDHN C[C@H](NC[C@@H](O)c1ccco1)c1ccc(N2CCOCC2)c(F)c1 ZINC000305075530 1295876015 /nfs/dbraw/zinc/87/60/15/1295876015.db2.gz NPEUEAWSAXLFOZ-SUMWQHHRSA-N 0 3 334.391 2.640 20 10 EFCDHN CC(=O)[C@H](C)N1C[C@@]2(CC1=O)CCCCN2Cc1c(C)cccc1O ZINC001274301834 1296056162 /nfs/dbraw/zinc/05/61/62/1296056162.db2.gz SPDWVTCBKOHHIZ-YWZLYKJASA-N 0 3 344.455 2.635 20 10 EFCDHN [O-]c1c(C[N@@H+]2CC[C@H](N3CCOCC3)C2)cccc1-c1ccccc1 ZINC001234997085 1313218702 /nfs/dbraw/zinc/21/87/02/1313218702.db2.gz RKZATSHTNHWVKC-IBGZPJMESA-N 0 3 338.451 2.966 20 10 EFCDHN [O-]c1c(C[N@H+]2CC[C@H](N3CCOCC3)C2)cccc1-c1ccccc1 ZINC001234997085 1313218706 /nfs/dbraw/zinc/21/87/06/1313218706.db2.gz RKZATSHTNHWVKC-IBGZPJMESA-N 0 3 338.451 2.966 20 10 EFCDHN COC(=O)C1(O)CC[NH+](Cc2cccc(-c3ccccc3)c2[O-])CC1 ZINC001234996306 1313218778 /nfs/dbraw/zinc/21/87/78/1313218778.db2.gz ACQGDCVZKHATIZ-UHFFFAOYSA-N 0 3 341.407 2.559 20 10 EFCDHN C[C@]1(CO)CC[N@H+](Cc2cccc(-c3ccccc3)c2[O-])C[C@H]1O ZINC001234997794 1313220052 /nfs/dbraw/zinc/22/00/52/1313220052.db2.gz DZNRGUNWWMFVOJ-UYAOXDASSA-N 0 3 327.424 2.624 20 10 EFCDHN C[C@]1(CO)CC[N@@H+](Cc2cccc(-c3ccccc3)c2[O-])C[C@H]1O ZINC001234997794 1313220054 /nfs/dbraw/zinc/22/00/54/1313220054.db2.gz DZNRGUNWWMFVOJ-UYAOXDASSA-N 0 3 327.424 2.624 20 10 EFCDHN O=C(CCc1ccc[nH]1)N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1ccccc1[O-] ZINC001275266804 1296247211 /nfs/dbraw/zinc/24/72/11/1296247211.db2.gz WWVVCKOYPKMFBL-ROUUACIJSA-N 0 3 339.439 2.528 20 10 EFCDHN O=C(CCc1ccc[nH]1)N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1ccccc1[O-] ZINC001275266804 1296247225 /nfs/dbraw/zinc/24/72/25/1296247225.db2.gz WWVVCKOYPKMFBL-ROUUACIJSA-N 0 3 339.439 2.528 20 10 EFCDHN CCn1ccnc1CN1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cc(F)ccc1[O-] ZINC001275908761 1296445922 /nfs/dbraw/zinc/44/59/22/1296445922.db2.gz IQEVDRGMDAHRHS-IRXDYDNUSA-N 0 3 344.434 2.597 20 10 EFCDHN CCn1ccnc1CN1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cc(F)ccc1[O-] ZINC001275908761 1296445929 /nfs/dbraw/zinc/44/59/29/1296445929.db2.gz IQEVDRGMDAHRHS-IRXDYDNUSA-N 0 3 344.434 2.597 20 10 EFCDHN COc1cc([O-])c(CN2CCC[C@@](C)([NH3+])CC2)cc1Br ZINC001205288594 1313264780 /nfs/dbraw/zinc/26/47/80/1313264780.db2.gz LTZNJGBWZSPTDK-OAHLLOKOSA-N 0 3 343.265 2.867 20 10 EFCDHN COc1cc([O-])c(CN2CCC[C@](C)([NH3+])CC2)cc1Br ZINC001205288593 1313264811 /nfs/dbraw/zinc/26/48/11/1313264811.db2.gz LTZNJGBWZSPTDK-HNNXBMFYSA-N 0 3 343.265 2.867 20 10 EFCDHN CCOc1ccc(C[NH2+][C@@H]2COc3c(cccc3OC)C2)c([O-])c1 ZINC000776173114 1296810530 /nfs/dbraw/zinc/81/05/30/1296810530.db2.gz YUMCMCOTFPFJLY-HNNXBMFYSA-N 0 3 329.396 2.893 20 10 EFCDHN Cc1ccc([C@H](C)[NH2+]CCc2ccccc2S(C)(=O)=O)c([O-])c1 ZINC000926908476 1296973848 /nfs/dbraw/zinc/97/38/48/1296973848.db2.gz PXSQUQVGNYMQGJ-AWEZNQCLSA-N 0 3 333.453 2.997 20 10 EFCDHN COc1cc([O-])c(CN2CC[NH2+][C@H](C(C)C)C2)c(Br)c1 ZINC001235475112 1313332632 /nfs/dbraw/zinc/33/26/32/1313332632.db2.gz LZJBQUWRLKPOFU-AWEZNQCLSA-N 0 3 343.265 2.593 20 10 EFCDHN COc1cc(Br)cc(C[NH2+][C@H](C)[C@@H]2CCOC2)c1[O-] ZINC000776219381 1297131137 /nfs/dbraw/zinc/13/11/37/1297131137.db2.gz OLJHMLICCNTEEU-NXEZZACHSA-N 0 3 330.222 2.678 20 10 EFCDHN Cc1cc([O-])c(CN2CCC(F)(F)[C@@H](C[NH3+])C2)cc1Br ZINC001205797077 1313357383 /nfs/dbraw/zinc/35/73/83/1313357383.db2.gz YQZYZISWWFSSPB-NSHDSACASA-N 0 3 349.219 2.879 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)Nc2ccc(F)nc2)N(C)C)cc1 ZINC000930424210 1297264667 /nfs/dbraw/zinc/26/46/67/1297264667.db2.gz LRDYJYADNLRAIO-INIZCTEOSA-N 0 3 345.422 2.711 20 10 EFCDHN [O-]c1ccc(Br)cc1CN1CCC[C@H]([NH2+]C2CC2)C1 ZINC001236216090 1313456566 /nfs/dbraw/zinc/45/65/66/1313456566.db2.gz IQSHRKIBKQMDQO-AWEZNQCLSA-N 0 3 325.250 2.871 20 10 EFCDHN CN(Cc1cc(Br)c(F)cc1[O-])[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236220267 1313457130 /nfs/dbraw/zinc/45/71/30/1313457130.db2.gz YPTZNLDTHNPZGI-QWHCGFSZSA-N 0 3 331.229 2.996 20 10 EFCDHN C[N@H+](Cc1cc(Br)c(F)cc1[O-])[C@@H]1CCCC[C@@H]1N ZINC001236220267 1313457133 /nfs/dbraw/zinc/45/71/33/1313457133.db2.gz YPTZNLDTHNPZGI-QWHCGFSZSA-N 0 3 331.229 2.996 20 10 EFCDHN C[N@@H+](Cc1cc(Br)c(F)cc1[O-])[C@@H]1CCCC[C@@H]1N ZINC001236220267 1313457134 /nfs/dbraw/zinc/45/71/34/1313457134.db2.gz YPTZNLDTHNPZGI-QWHCGFSZSA-N 0 3 331.229 2.996 20 10 EFCDHN CCCN(Cc1c([O-])cc(OC)cc1Br)[C@@H]1CC[NH2+]C1 ZINC001236322931 1313469221 /nfs/dbraw/zinc/46/92/21/1313469221.db2.gz AVWCQTJNAUZTSY-LLVKDONJSA-N 0 3 343.265 2.737 20 10 EFCDHN CCCN(Cc1cc(Br)c(OC)cc1[O-])[C@@H]1CC[NH2+]C1 ZINC001236322763 1313469488 /nfs/dbraw/zinc/46/94/88/1313469488.db2.gz AHJHKENFMJEOCK-GFCCVEGCSA-N 0 3 343.265 2.737 20 10 EFCDHN COCCN(Cc1ccc(C(F)(F)F)cc1[O-])[C@@H]1CCC[NH2+]C1 ZINC001236331667 1313471432 /nfs/dbraw/zinc/47/14/32/1313471432.db2.gz PJEDNLWLQVMJRJ-CQSZACIVSA-N 0 3 332.366 2.611 20 10 EFCDHN COc1cc(CN2CC[C@@H](C)[C@@H](O)CC2)c(O)cc1Br ZINC001236746562 1313521018 /nfs/dbraw/zinc/52/10/18/1313521018.db2.gz DSMJSGRFBSGLAD-MFKMUULPSA-N 0 3 344.249 2.756 20 10 EFCDHN COc1cc(C[N@H+](C)[C@H]2CC[C@H](O)CC2)c([O-])cc1Br ZINC001236748061 1313521172 /nfs/dbraw/zinc/52/11/72/1313521172.db2.gz KQFIFFMSYLNDGD-HAQNSBGRSA-N 0 3 344.249 2.899 20 10 EFCDHN COc1cc(C[N@@H+](C)[C@H]2CC[C@H](O)CC2)c([O-])cc1Br ZINC001236748061 1313521176 /nfs/dbraw/zinc/52/11/76/1313521176.db2.gz KQFIFFMSYLNDGD-HAQNSBGRSA-N 0 3 344.249 2.899 20 10 EFCDHN COc1cc(O)c(CN2CCCC[C@@](O)(C(F)(F)F)C2)cc1OC ZINC001236750075 1313521644 /nfs/dbraw/zinc/52/16/44/1313521644.db2.gz OAPNSOAFWOHVJO-HNNXBMFYSA-N 0 3 349.349 2.689 20 10 EFCDHN COc1cc(O)c(CN2CCC[C@H](Oc3ccncc3)C2)cc1OC ZINC001236754537 1313523190 /nfs/dbraw/zinc/52/31/90/1313523190.db2.gz TVFAIDYDKVQHNK-INIZCTEOSA-N 0 3 344.411 2.848 20 10 EFCDHN COc1cc(O)c(CN2CCC[C@@H](Oc3ccncc3)C2)cc1OC ZINC001236754553 1313523428 /nfs/dbraw/zinc/52/34/28/1313523428.db2.gz TVFAIDYDKVQHNK-MRXNPFEDSA-N 0 3 344.411 2.848 20 10 EFCDHN [O-]c1cc(CN2CCC[N@@H+]3CCC[C@@H]3C2)c(O)cc1Br ZINC001236775309 1313527193 /nfs/dbraw/zinc/52/71/93/1313527193.db2.gz MMBUWWYKADTGKO-GFCCVEGCSA-N 0 3 341.249 2.530 20 10 EFCDHN [O-]c1cc(CN2CCC[N@H+]3CCC[C@@H]3C2)c(O)cc1Br ZINC001236775309 1313527197 /nfs/dbraw/zinc/52/71/97/1313527197.db2.gz MMBUWWYKADTGKO-GFCCVEGCSA-N 0 3 341.249 2.530 20 10 EFCDHN CCc1ccc(C[NH+]2C[C@@H]3CN(Cc4cccnc4)C[C@H]3C2)c([O-])c1 ZINC001236786439 1313528594 /nfs/dbraw/zinc/52/85/94/1313528594.db2.gz PAHNUTWXCKZBMJ-PMACEKPBSA-N 0 3 337.467 2.913 20 10 EFCDHN CCc1ccc(C[NH+]2C[C@@H]3CN(Cc4nccs4)C[C@H]3C2)c([O-])c1 ZINC001236787180 1313528644 /nfs/dbraw/zinc/52/86/44/1313528644.db2.gz JQXLJALQZNQKAC-IAGOWNOFSA-N 0 3 343.496 2.975 20 10 EFCDHN CCc1ccc(C[NH+]2CCC3(CCC(=O)N3CCOC)CC2)c([O-])c1 ZINC001236790809 1313529573 /nfs/dbraw/zinc/52/95/73/1313529573.db2.gz YBHWRLLZMVCIBE-UHFFFAOYSA-N 0 3 346.471 2.558 20 10 EFCDHN COc1ccc(CN2CCN(c3cc[nH+]cc3)CC2)c([O-])c1Cl ZINC001236805565 1313532079 /nfs/dbraw/zinc/53/20/79/1313532079.db2.gz IASGLCGDCHWTNU-UHFFFAOYSA-N 0 3 333.819 2.771 20 10 EFCDHN CCN1C(=O)CCC12CC[NH+](Cc1c(C)cc(OC)cc1[O-])CC2 ZINC001236808511 1313534089 /nfs/dbraw/zinc/53/40/89/1313534089.db2.gz LBJFNLGRFJNDAM-UHFFFAOYSA-N 0 3 332.444 2.686 20 10 EFCDHN COc1cc(C)c(C[NH+]2CCC(N3CC(F)(F)C3)CC2)c([O-])c1 ZINC001236810970 1313534800 /nfs/dbraw/zinc/53/48/00/1313534800.db2.gz MCGAPPAUIQGJBV-UHFFFAOYSA-N 0 3 326.387 2.625 20 10 EFCDHN COc1cc(C)c(C[N@@H+]2CC[C@@H](O)[C@@H]2Cc2ccccc2)c([O-])c1 ZINC001236812311 1313535111 /nfs/dbraw/zinc/53/51/11/1313535111.db2.gz YZNAAADMUOBDHN-RBUKOAKNSA-N 0 3 327.424 2.887 20 10 EFCDHN COc1cc(C)c(C[N@H+]2CC[C@@H](O)[C@@H]2Cc2ccccc2)c([O-])c1 ZINC001236812311 1313535114 /nfs/dbraw/zinc/53/51/14/1313535114.db2.gz YZNAAADMUOBDHN-RBUKOAKNSA-N 0 3 327.424 2.887 20 10 EFCDHN COc1cc(C)c(C[N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)c([O-])c1 ZINC001236814041 1313536145 /nfs/dbraw/zinc/53/61/45/1313536145.db2.gz OICYKURZWCTDJQ-HNNXBMFYSA-N 0 3 332.444 2.544 20 10 EFCDHN COc1cc(C)c(C[N@H+]2CCC[C@H](C(=O)N3CCCC3)C2)c([O-])c1 ZINC001236814041 1313536148 /nfs/dbraw/zinc/53/61/48/1313536148.db2.gz OICYKURZWCTDJQ-HNNXBMFYSA-N 0 3 332.444 2.544 20 10 EFCDHN COc1cc(C)c(C[N@@H+]2CCCN(c3ccc(F)cn3)CC2)c([O-])c1 ZINC001236819580 1313536358 /nfs/dbraw/zinc/53/63/58/1313536358.db2.gz XCMAKXPYRNWJBE-UHFFFAOYSA-N 0 3 345.418 2.956 20 10 EFCDHN COc1cc(C)c(C[N@H+]2CCCN(c3ccc(F)cn3)CC2)c([O-])c1 ZINC001236819580 1313536360 /nfs/dbraw/zinc/53/63/60/1313536360.db2.gz XCMAKXPYRNWJBE-UHFFFAOYSA-N 0 3 345.418 2.956 20 10 EFCDHN COc1cc(C)c(CN2CCCN(C(=O)CC(C)C)CC2)c(O)c1 ZINC001236820293 1313536674 /nfs/dbraw/zinc/53/66/74/1313536674.db2.gz KPDCCBVRBJCTTB-UHFFFAOYSA-N 0 3 334.460 2.790 20 10 EFCDHN CCNC(=O)COC1CC[NH+](Cc2cc3ccccc3cc2[O-])CC1 ZINC001236835111 1313538390 /nfs/dbraw/zinc/53/83/90/1313538390.db2.gz IMFCPKIPRJQGKA-UHFFFAOYSA-N 0 3 342.439 2.663 20 10 EFCDHN CN(C)C(=O)N[C@@H]1CCC[N@H+](Cc2cc3ccccc3cc2[O-])C1 ZINC001236835491 1313538744 /nfs/dbraw/zinc/53/87/44/1313538744.db2.gz OBVFESOGSKHTKD-QGZVFWFLSA-N 0 3 327.428 2.781 20 10 EFCDHN CN(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2cc3ccccc3cc2[O-])C1 ZINC001236835491 1313538747 /nfs/dbraw/zinc/53/87/47/1313538747.db2.gz OBVFESOGSKHTKD-QGZVFWFLSA-N 0 3 327.428 2.781 20 10 EFCDHN CC[N@H+](C)Cc1cc2c(cc1[O-])OCCN(C(=O)OC(C)(C)C)C2 ZINC001236844222 1313541188 /nfs/dbraw/zinc/54/11/88/1313541188.db2.gz WZAIQTYFPNJZEF-UHFFFAOYSA-N 0 3 336.432 2.973 20 10 EFCDHN CC[N@@H+](C)Cc1cc2c(cc1[O-])OCCN(C(=O)OC(C)(C)C)C2 ZINC001236844222 1313541191 /nfs/dbraw/zinc/54/11/91/1313541191.db2.gz WZAIQTYFPNJZEF-UHFFFAOYSA-N 0 3 336.432 2.973 20 10 EFCDHN CCOC(=O)C1=C(O)CC[N@H+](Cc2cc3ccccc3cc2[O-])CC1 ZINC001236842516 1313541289 /nfs/dbraw/zinc/54/12/89/1313541289.db2.gz WQEHDBBHEUKSOO-QGZVFWFLSA-N 0 3 341.407 2.890 20 10 EFCDHN CCOC(=O)C1=C(O)CC[N@@H+](Cc2cc3ccccc3cc2[O-])CC1 ZINC001236842516 1313541292 /nfs/dbraw/zinc/54/12/92/1313541292.db2.gz WQEHDBBHEUKSOO-QGZVFWFLSA-N 0 3 341.407 2.890 20 10 EFCDHN OC[C@H]1CCCN(Cc2ccc(N3CCOCC3)cc2Cl)CC1 ZINC001236925996 1313554636 /nfs/dbraw/zinc/55/46/36/1313554636.db2.gz ZYBDVEJNLUJZTK-HNNXBMFYSA-N 0 3 338.879 2.771 20 10 EFCDHN C[C@H]1CCN(Cc2ccc(N3CCOCC3)cc2Cl)CC[C@@H]1O ZINC001236926288 1313554721 /nfs/dbraw/zinc/55/47/21/1313554721.db2.gz FBHCWWARZUAKPI-KSSFIOAISA-N 0 3 338.879 2.769 20 10 EFCDHN CC(C)N(CCCO)Cc1ccc(N2CCOCC2)cc1Cl ZINC001236928035 1313554782 /nfs/dbraw/zinc/55/47/82/1313554782.db2.gz UIIBPGBHUPTRHR-UHFFFAOYSA-N 0 3 326.868 2.769 20 10 EFCDHN CN(Cc1ccc(N2CCN(C)CC2)cc1F)C1CC(F)(F)C1 ZINC001236931269 1313556257 /nfs/dbraw/zinc/55/62/57/1313556257.db2.gz IJPXTBYSYRZHOT-UHFFFAOYSA-N 0 3 327.394 2.807 20 10 EFCDHN CN1CCN(c2ccc(CN3CCC(F)(F)CC3)c(F)c2)CC1 ZINC001236933448 1313556598 /nfs/dbraw/zinc/55/65/98/1313556598.db2.gz XTEJFRIRXGPLFK-UHFFFAOYSA-N 0 3 327.394 2.809 20 10 EFCDHN CN1CCN(c2ccc(CN3CC[C@@H]4CCCO[C@H]4C3)c(F)c2)CC1 ZINC001236935211 1313557304 /nfs/dbraw/zinc/55/73/04/1313557304.db2.gz GMOAOLGFVSNSRE-JXFKEZNVSA-N 0 3 347.478 2.578 20 10 EFCDHN CCOc1ccc(C[N@@H+]2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC2)c([O-])c1 ZINC001237039624 1313573187 /nfs/dbraw/zinc/57/31/87/1313573187.db2.gz AWOZEBBMLBZROY-ROUUACIJSA-N 0 3 344.455 2.766 20 10 EFCDHN CCOc1ccc(C[N@H+]2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC2)c([O-])c1 ZINC001237039624 1313573189 /nfs/dbraw/zinc/57/31/89/1313573189.db2.gz AWOZEBBMLBZROY-ROUUACIJSA-N 0 3 344.455 2.766 20 10 EFCDHN CCOc1ccc(C[N@@H+]2CCc3ncnc(CC)c3CC2)c([O-])c1 ZINC001237040958 1313573266 /nfs/dbraw/zinc/57/32/66/1313573266.db2.gz NBYRBKMLAPJUJR-UHFFFAOYSA-N 0 3 327.428 2.744 20 10 EFCDHN CCOc1ccc(C[N@H+]2CCc3ncnc(CC)c3CC2)c([O-])c1 ZINC001237040958 1313573269 /nfs/dbraw/zinc/57/32/69/1313573269.db2.gz NBYRBKMLAPJUJR-UHFFFAOYSA-N 0 3 327.428 2.744 20 10 EFCDHN CCOc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCN3C(=O)C(C)C)C2)c([O-])c1 ZINC001237040319 1313573368 /nfs/dbraw/zinc/57/33/68/1313573368.db2.gz GQNXALMDDDFEGF-QAPCUYQASA-N 0 3 346.471 2.870 20 10 EFCDHN CCOc1ccc(C[N@H+]2CC[C@H]3[C@H](CCN3C(=O)C(C)C)C2)c([O-])c1 ZINC001237040319 1313573372 /nfs/dbraw/zinc/57/33/72/1313573372.db2.gz GQNXALMDDDFEGF-QAPCUYQASA-N 0 3 346.471 2.870 20 10 EFCDHN CCOc1ccc(C[N@@H+]2CC[C@]3(C[C@@H](OCC4CC4)CO3)C2)c([O-])c1 ZINC001237042482 1313573947 /nfs/dbraw/zinc/57/39/47/1313573947.db2.gz WJQHYIVPNFLLPQ-QUCCMNQESA-N 0 3 347.455 2.951 20 10 EFCDHN CCOc1ccc(C[N@H+]2CC[C@]3(C[C@@H](OCC4CC4)CO3)C2)c([O-])c1 ZINC001237042482 1313573951 /nfs/dbraw/zinc/57/39/51/1313573951.db2.gz WJQHYIVPNFLLPQ-QUCCMNQESA-N 0 3 347.455 2.951 20 10 EFCDHN CCOc1ccc(CN2CCC[C@@H](NC(=O)N3CCCC3)C2)c(O)c1 ZINC001237046460 1313574764 /nfs/dbraw/zinc/57/47/64/1313574764.db2.gz CHORLYDJTHRSII-MRXNPFEDSA-N 0 3 347.459 2.561 20 10 EFCDHN CCOc1ccc(C[N@@H+]2CCC[C@@H](C(=O)N(CC)CC)C2)c([O-])c1 ZINC001237046159 1313574962 /nfs/dbraw/zinc/57/49/62/1313574962.db2.gz YIAOAAQFMKMXJU-MRXNPFEDSA-N 0 3 334.460 2.871 20 10 EFCDHN CCOc1ccc(C[N@H+]2CCC[C@@H](C(=O)N(CC)CC)C2)c([O-])c1 ZINC001237046159 1313574964 /nfs/dbraw/zinc/57/49/64/1313574964.db2.gz YIAOAAQFMKMXJU-MRXNPFEDSA-N 0 3 334.460 2.871 20 10 EFCDHN CCOC(=O)[C@H]1CCN(Cc2ccc(C(C)C)cc2O)CCC1=O ZINC001237053385 1313577123 /nfs/dbraw/zinc/57/71/23/1313577123.db2.gz KNUPSCPZNSCPAT-INIZCTEOSA-N 0 3 333.428 2.860 20 10 EFCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@H+]1CCc2nccn2CC1 ZINC001237057316 1313577809 /nfs/dbraw/zinc/57/78/09/1313577809.db2.gz BAWPMRFGZZSXMQ-UHFFFAOYSA-N 0 3 341.333 2.588 20 10 EFCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@@H+]1CCc2nccn2CC1 ZINC001237057316 1313577811 /nfs/dbraw/zinc/57/78/11/1313577811.db2.gz BAWPMRFGZZSXMQ-UHFFFAOYSA-N 0 3 341.333 2.588 20 10 EFCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@H+]1CCC[C@H](CO)CC1 ZINC001237053789 1313578030 /nfs/dbraw/zinc/57/80/30/1313578030.db2.gz QMTUADAZYMXLQJ-LBPRGKRZSA-N 0 3 333.350 2.928 20 10 EFCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@@H+]1CCC[C@H](CO)CC1 ZINC001237053789 1313578034 /nfs/dbraw/zinc/57/80/34/1313578034.db2.gz QMTUADAZYMXLQJ-LBPRGKRZSA-N 0 3 333.350 2.928 20 10 EFCDHN COC(=O)[C@H]1C[N@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])C[C@@H]1C ZINC001237062657 1313579192 /nfs/dbraw/zinc/57/91/92/1313579192.db2.gz NPDPGQGTBOXJHV-GWCFXTLKSA-N 0 3 347.333 2.574 20 10 EFCDHN COC(=O)[C@H]1C[N@@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])C[C@@H]1C ZINC001237062657 1313579196 /nfs/dbraw/zinc/57/91/96/1313579196.db2.gz NPDPGQGTBOXJHV-GWCFXTLKSA-N 0 3 347.333 2.574 20 10 EFCDHN OC[C@]1(F)CCCN(Cc2c(O)cccc2OC(F)(F)F)CC1 ZINC001237116549 1313589077 /nfs/dbraw/zinc/58/90/77/1313589077.db2.gz KARLHACJQJOJSM-AWEZNQCLSA-N 0 3 337.313 2.977 20 10 EFCDHN Cc1cnc(O[C@H]2CC[N@H+](Cc3c([O-])ccc(F)c3Cl)C2)nc1 ZINC001237126068 1313591279 /nfs/dbraw/zinc/59/12/79/1313591279.db2.gz FMDJONBEPLZOFQ-NSHDSACASA-N 0 3 337.782 2.936 20 10 EFCDHN Cc1cnc(O[C@H]2CC[N@@H+](Cc3c([O-])ccc(F)c3Cl)C2)nc1 ZINC001237126068 1313591283 /nfs/dbraw/zinc/59/12/83/1313591283.db2.gz FMDJONBEPLZOFQ-NSHDSACASA-N 0 3 337.782 2.936 20 10 EFCDHN CN1CCC2(CC[NH+](Cc3cc(C(F)(F)F)ccc3[O-])CC2)C1=O ZINC001237143186 1313592507 /nfs/dbraw/zinc/59/25/07/1313592507.db2.gz KHDLTCOPIFPEJH-UHFFFAOYSA-N 0 3 342.361 2.855 20 10 EFCDHN C[C@@H]1CCCN(Cc2ccc(N3CCS(=O)(=O)CC3)cc2)[C@H]1C ZINC001237208052 1313605963 /nfs/dbraw/zinc/60/59/63/1313605963.db2.gz XWIMQVSMDYQOKL-CVEARBPZSA-N 0 3 336.501 2.542 20 10 EFCDHN CC[C@@H]1CCCN(Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 ZINC001237209309 1313606283 /nfs/dbraw/zinc/60/62/83/1313606283.db2.gz HZTMULAUQHKKQZ-MRXNPFEDSA-N 0 3 336.501 2.543 20 10 EFCDHN CC[C@H]1CCCCN1Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC001237213988 1313607308 /nfs/dbraw/zinc/60/73/08/1313607308.db2.gz ZGZAJNPFVBIIMV-KRWDZBQOSA-N 0 3 336.501 2.686 20 10 EFCDHN COc1cc(Br)cc(C[NH2+]C2(CO)CCCCC2)c1[O-] ZINC000776498268 1299317148 /nfs/dbraw/zinc/31/71/48/1299317148.db2.gz RJIFXANQKPUIRX-UHFFFAOYSA-N 0 3 344.249 2.948 20 10 EFCDHN [O-]c1ccc(Br)cc1CN1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237383892 1313633235 /nfs/dbraw/zinc/63/32/35/1313633235.db2.gz SFICNZOMYUGDNK-BXUZGUMPSA-N 0 3 325.250 2.729 20 10 EFCDHN [O-]c1cccc(Br)c1CN1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237394864 1313635864 /nfs/dbraw/zinc/63/58/64/1313635864.db2.gz WPKLPUMZYRUORA-FZMZJTMJSA-N 0 3 325.250 2.729 20 10 EFCDHN Cc1cccc([O-])c1C[N@H+]1C[C@@H]2[C@@H](CNC(=O)OC(C)(C)C)[C@@H]2C1 ZINC001237481150 1313654050 /nfs/dbraw/zinc/65/40/50/1313654050.db2.gz COTUQOFHCYWAEM-MKZZRHPPSA-N 0 3 332.444 2.903 20 10 EFCDHN Cc1cccc([O-])c1C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)OC(C)(C)C)[C@@H]2C1 ZINC001237481150 1313654052 /nfs/dbraw/zinc/65/40/52/1313654052.db2.gz COTUQOFHCYWAEM-MKZZRHPPSA-N 0 3 332.444 2.903 20 10 EFCDHN Cc1cccc([O-])c1C[NH+]1CCC2(CC(=O)N(CC3CC3)C2)CC1 ZINC001237494841 1313655735 /nfs/dbraw/zinc/65/57/35/1313655735.db2.gz LTASGLJCOWFVMG-UHFFFAOYSA-N 0 3 328.456 2.925 20 10 EFCDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@@H](Oc2ccc(C(N)=O)cc2)C1 ZINC001237494934 1313655864 /nfs/dbraw/zinc/65/58/64/1313655864.db2.gz NCFARMVBLVYYCI-QGZVFWFLSA-N 0 3 340.423 2.843 20 10 EFCDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@@H](Oc2ccc(C(N)=O)cc2)C1 ZINC001237494934 1313655866 /nfs/dbraw/zinc/65/58/66/1313655866.db2.gz NCFARMVBLVYYCI-QGZVFWFLSA-N 0 3 340.423 2.843 20 10 EFCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@H](N4CCOC4=O)C3)c2c1 ZINC000853539491 1300155730 /nfs/dbraw/zinc/15/57/30/1300155730.db2.gz BDPXXMASVRDOGE-AWEZNQCLSA-N 0 3 342.395 2.581 20 10 EFCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@H](N4CCOC4=O)C3)c2c1 ZINC000853539491 1300155736 /nfs/dbraw/zinc/15/57/36/1300155736.db2.gz BDPXXMASVRDOGE-AWEZNQCLSA-N 0 3 342.395 2.581 20 10 EFCDHN COc1cccc(O)c1CN[C@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000776700189 1300348334 /nfs/dbraw/zinc/34/83/34/1300348334.db2.gz JBDYLAGYMFDAIA-NSHDSACASA-N 0 3 348.349 2.574 20 10 EFCDHN CC[N@H+](CCC(=O)OC)Cc1cc(Br)c(C)cc1[O-] ZINC001237683876 1313690940 /nfs/dbraw/zinc/69/09/40/1313690940.db2.gz DTKQPYVCBSGXFW-UHFFFAOYSA-N 0 3 330.222 2.848 20 10 EFCDHN CC[N@@H+](CCC(=O)OC)Cc1cc(Br)c(C)cc1[O-] ZINC001237683876 1313690942 /nfs/dbraw/zinc/69/09/42/1313690942.db2.gz DTKQPYVCBSGXFW-UHFFFAOYSA-N 0 3 330.222 2.848 20 10 EFCDHN COC(=O)CC[N@H+](Cc1cc(Br)c(C)cc1[O-])C1CC1 ZINC001237684127 1313691785 /nfs/dbraw/zinc/69/17/85/1313691785.db2.gz HAEAJGGQWCGVDG-UHFFFAOYSA-N 0 3 342.233 2.991 20 10 EFCDHN COC(=O)CC[N@@H+](Cc1cc(Br)c(C)cc1[O-])C1CC1 ZINC001237684127 1313691789 /nfs/dbraw/zinc/69/17/89/1313691789.db2.gz HAEAJGGQWCGVDG-UHFFFAOYSA-N 0 3 342.233 2.991 20 10 EFCDHN CCN1CCN(Cc2cc(Br)c(C)cc2O)[C@H](C)C1 ZINC001237684425 1313692020 /nfs/dbraw/zinc/69/20/20/1313692020.db2.gz KJCROGDLMPVMRS-GFCCVEGCSA-N 0 3 327.266 2.989 20 10 EFCDHN COc1cc(CN2CC[C@H](C(=O)OC(C)(C)C)C2)c(O)c(OC)c1 ZINC001237676204 1313689266 /nfs/dbraw/zinc/68/92/66/1313689266.db2.gz KUOKJPYMKUVQHH-LBPRGKRZSA-N 0 3 337.416 2.573 20 10 EFCDHN CCS[C@@H]1CCCCN(CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000112088449 1300502112 /nfs/dbraw/zinc/50/21/12/1300502112.db2.gz VCPWHYVGKJAAFY-GOSISDBHSA-N 0 3 349.544 2.976 20 10 EFCDHN Cc1cccc(C)c1S(=O)(=O)[N-]c1cccc(N2CC[NH2+]CC2)c1 ZINC001237745514 1313700062 /nfs/dbraw/zinc/70/00/62/1313700062.db2.gz JWHHEYQZEWTOEV-UHFFFAOYSA-N 0 3 345.468 2.514 20 10 EFCDHN CCOC(=O)COc1cccc(C[N@H+](C)Cc2ccccc2[O-])c1 ZINC001237918002 1313730776 /nfs/dbraw/zinc/73/07/76/1313730776.db2.gz DVSGMHJDEDOBOX-UHFFFAOYSA-N 0 3 329.396 2.966 20 10 EFCDHN CCOC(=O)COc1cccc(C[N@@H+](C)Cc2ccccc2[O-])c1 ZINC001237918002 1313730780 /nfs/dbraw/zinc/73/07/80/1313730780.db2.gz DVSGMHJDEDOBOX-UHFFFAOYSA-N 0 3 329.396 2.966 20 10 EFCDHN COc1ccc2ccc(O)c(CN3CCO[C@H]([C@H]4CCCO4)C3)c2c1 ZINC000246214066 1300959448 /nfs/dbraw/zinc/95/94/48/1300959448.db2.gz KQWNCARJHMPOEV-UXHICEINSA-N 0 3 343.423 2.934 20 10 EFCDHN Cc1ncsc1/C=C\C(=O)N1C[C@@H](CN(C)C)Oc2ccccc21 ZINC000776866703 1301205009 /nfs/dbraw/zinc/20/50/09/1301205009.db2.gz HUIOJHSLPPBFGM-QIAWRQBBSA-N 0 3 343.452 2.821 20 10 EFCDHN Cc1cc(F)cc(C[N@H+]2CC[C@]3(C2)c2ccccc2N(C)C3=O)c1[O-] ZINC001238062234 1313753254 /nfs/dbraw/zinc/75/32/54/1313753254.db2.gz VKEQJHOQTQHLNU-FQEVSTJZSA-N 0 3 340.398 2.960 20 10 EFCDHN Cc1cc(F)cc(C[N@@H+]2CC[C@]3(C2)c2ccccc2N(C)C3=O)c1[O-] ZINC001238062234 1313753255 /nfs/dbraw/zinc/75/32/55/1313753255.db2.gz VKEQJHOQTQHLNU-FQEVSTJZSA-N 0 3 340.398 2.960 20 10 EFCDHN Cc1cc(F)cc(C[N@@H+]2CC[C@@H]3[C@H](CCN3C(=O)C(C)C)C2)c1[O-] ZINC001238063012 1313754050 /nfs/dbraw/zinc/75/40/50/1313754050.db2.gz ZDDIKSQDNPEIDV-RHSMWYFYSA-N 0 3 334.435 2.919 20 10 EFCDHN Cc1cc(F)cc(C[N@H+]2CC[C@@H]3[C@H](CCN3C(=O)C(C)C)C2)c1[O-] ZINC001238063012 1313754052 /nfs/dbraw/zinc/75/40/52/1313754052.db2.gz ZDDIKSQDNPEIDV-RHSMWYFYSA-N 0 3 334.435 2.919 20 10 EFCDHN Cc1cc(F)cc(CN2CCC(NC(=O)c3ccccn3)CC2)c1O ZINC001238067894 1313755180 /nfs/dbraw/zinc/75/51/80/1313755180.db2.gz RKVOQVMWQWCLFI-UHFFFAOYSA-N 0 3 343.402 2.629 20 10 EFCDHN CN(Cc1ccc(N2CCOCC2)cc1)Cc1cccc2cncn21 ZINC001238113994 1313763592 /nfs/dbraw/zinc/76/35/92/1313763592.db2.gz PFMZJNBNLMOXNE-UHFFFAOYSA-N 0 3 336.439 2.803 20 10 EFCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H]2CCCN2CC(F)F)c1[O-] ZINC000862468804 1302392174 /nfs/dbraw/zinc/39/21/74/1302392174.db2.gz OXGCPHXOHMMXCF-LBPRGKRZSA-N 0 3 334.794 2.873 20 10 EFCDHN COc1ccc2ccc([O-])c(C[N@@H+]3C[C@@H](C)O[C@@]4(CCOC4)C3)c2c1 ZINC000794707374 1303017065 /nfs/dbraw/zinc/01/70/65/1303017065.db2.gz RNTVDFLFBVPERI-VLIAUNLRSA-N 0 3 343.423 2.934 20 10 EFCDHN COc1ccc2ccc([O-])c(C[N@H+]3C[C@@H](C)O[C@@]4(CCOC4)C3)c2c1 ZINC000794707374 1303017072 /nfs/dbraw/zinc/01/70/72/1303017072.db2.gz RNTVDFLFBVPERI-VLIAUNLRSA-N 0 3 343.423 2.934 20 10 EFCDHN CC[C@H]([NH2+][C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O)c1ccc(C)cc1[O-] ZINC000794812552 1303171752 /nfs/dbraw/zinc/17/17/52/1303171752.db2.gz MJDVRERKXRWDJL-XOKHGSTOSA-N 0 3 342.443 2.669 20 10 EFCDHN Fc1cc(CN2CCC[C@@H](c3cc[nH]n3)C2)ccc1N1CCOCC1 ZINC000121224501 1303787726 /nfs/dbraw/zinc/78/77/26/1303787726.db2.gz ZZFNHHKMEKVZQU-MRXNPFEDSA-N 0 3 344.434 2.765 20 10 EFCDHN COc1cc(Br)cc(C[NH2+]C[C@H]2CCOC[C@H]2C)c1[O-] ZINC000796496606 1304001824 /nfs/dbraw/zinc/00/18/24/1304001824.db2.gz BLKFQRBFFJZEQS-GHMZBOCLSA-N 0 3 344.249 2.926 20 10 EFCDHN C[C@@H](NC(=O)Nc1ccc2c(c1)CNCCO2)c1ccccc1O ZINC000868166869 1304166259 /nfs/dbraw/zinc/16/62/59/1304166259.db2.gz IBSMCGKZXCOMQS-GFCCVEGCSA-N 0 3 327.384 2.757 20 10 EFCDHN COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3ccccc3[O-])C2)cc1C ZINC000967263463 1304774448 /nfs/dbraw/zinc/77/44/48/1304774448.db2.gz LTTAHIKGDWLWHS-MRXNPFEDSA-N 0 3 340.423 2.714 20 10 EFCDHN CN1CC2(C1)CCCN(Cc1ccc(N3CCOCC3)c(Cl)c1)C2 ZINC001276593321 1314027901 /nfs/dbraw/zinc/02/79/01/1314027901.db2.gz HKRZQOGLXZYJHW-UHFFFAOYSA-N 0 3 349.906 2.704 20 10 EFCDHN C[C@@H]1CCN(CCCF)C[C@@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000968684664 1306566276 /nfs/dbraw/zinc/56/62/76/1306566276.db2.gz GOVCYUWIAKRJKS-DOMZBBRYSA-N 0 3 349.410 2.649 20 10 EFCDHN [O-]c1cc(O)c(CN2CC[NH2+][C@H](Cc3ccccc3)C2)cc1Cl ZINC001210356196 1314318543 /nfs/dbraw/zinc/31/85/43/1314318543.db2.gz MGCRHJSYQLQEIF-OAHLLOKOSA-N 0 3 332.831 2.768 20 10 EFCDHN CCCCN(CC(=O)NC(=O)NC1CCCC1)Cc1ccccc1O ZINC000801597066 1310576057 /nfs/dbraw/zinc/57/60/57/1310576057.db2.gz ZNNWJUPVMOFVHD-UHFFFAOYSA-N 0 3 347.459 2.763 20 10 EFCDHN Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+]1CCC[C@@]2(CCN(C)C2)C1 ZINC001276826841 1311070167 /nfs/dbraw/zinc/07/01/67/1311070167.db2.gz ZGOZMWKQIWYSBM-FQEVSTJZSA-N 0 3 342.439 2.725 20 10 EFCDHN Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1CCC[C@@]2(CCN(C)C2)C1 ZINC001276826841 1311070169 /nfs/dbraw/zinc/07/01/69/1311070169.db2.gz ZGOZMWKQIWYSBM-FQEVSTJZSA-N 0 3 342.439 2.725 20 10 EFCDHN Cc1cc(=O)oc2c1ccc([O-])c2CN1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001276826841 1311070171 /nfs/dbraw/zinc/07/01/71/1311070171.db2.gz ZGOZMWKQIWYSBM-FQEVSTJZSA-N 0 3 342.439 2.725 20 10 EFCDHN Cc1cc(=O)oc2c1ccc([O-])c2CN1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC001276826841 1311070174 /nfs/dbraw/zinc/07/01/74/1311070174.db2.gz ZGOZMWKQIWYSBM-FQEVSTJZSA-N 0 3 342.439 2.725 20 10 EFCDHN Cc1cc([O-])c(CN2CC3(C2)CCC[NH2+]C3)cc1Br ZINC001222339832 1311116752 /nfs/dbraw/zinc/11/67/52/1311116752.db2.gz HLSCEQGEYDYWNT-UHFFFAOYSA-N 0 3 325.250 2.649 20 10 EFCDHN Cc1cc([O-])c(CN2CC[C@@]3(CCC[NH2+]3)C2)cc1Br ZINC001222477115 1311138484 /nfs/dbraw/zinc/13/84/84/1311138484.db2.gz HWXSSOBDBGZMGG-HNNXBMFYSA-N 0 3 325.250 2.791 20 10 EFCDHN C[C@@]1(CNC(=O)c2cccc(O)c2[O-])CC[N@H+](Cc2ccccc2)C1 ZINC000381200841 1311308230 /nfs/dbraw/zinc/30/82/30/1311308230.db2.gz OZLPGHOVBXHTRX-FQEVSTJZSA-N 0 3 340.423 2.740 20 10 EFCDHN C[C@@]1(CNC(=O)c2cccc(O)c2[O-])CC[N@@H+](Cc2ccccc2)C1 ZINC000381200841 1311308235 /nfs/dbraw/zinc/30/82/35/1311308235.db2.gz OZLPGHOVBXHTRX-FQEVSTJZSA-N 0 3 340.423 2.740 20 10 EFCDHN Nc1cccc(N2CCN(c3ccc(OC(F)(F)F)cc3)CC2)n1 ZINC001158870022 1311406548 /nfs/dbraw/zinc/40/65/48/1311406548.db2.gz IVRLRPAYVSZPQB-UHFFFAOYSA-N 0 3 338.333 2.889 20 10 EFCDHN COc1ccc(N2CCCC3(CN(CCn4ccnc4)C3)C2)cc1F ZINC001277009527 1311456655 /nfs/dbraw/zinc/45/66/55/1311456655.db2.gz JHQNUCXKCKRSBP-UHFFFAOYSA-N 0 3 344.434 2.633 20 10 EFCDHN COc1ccc(N2CC[C@H]3[C@@H]2CCN3Cc2cccc(=O)[nH]2)c(C)c1 ZINC001277018734 1311474347 /nfs/dbraw/zinc/47/43/47/1311474347.db2.gz OSPRNBWHJZTFQV-OALUTQOASA-N 0 3 339.439 2.957 20 10 EFCDHN CN(C)C[C@@H](NC(=O)c1cccc(O)c1O)c1ccc(Cl)cc1 ZINC000802377345 1311604522 /nfs/dbraw/zinc/60/45/22/1311604522.db2.gz GARQWRAADFFQQI-CQSZACIVSA-N 0 3 334.803 2.784 20 10 EFCDHN C[C@H](C[N+](C)(C)C)Oc1cccc2c1C(=O)c1c([O-])cccc1C2=O ZINC001226380777 1311658582 /nfs/dbraw/zinc/65/85/82/1311658582.db2.gz ALWYGFRLZBQXQO-GFCCVEGCSA-O 0 3 340.399 2.641 20 10 EFCDHN C[C@@H](C[N+](C)(C)C)Oc1cccc2c1C(=O)c1cccc([O-])c1C2=O ZINC001229191869 1312059310 /nfs/dbraw/zinc/05/93/10/1312059310.db2.gz FNIRUZBJICSBNR-LBPRGKRZSA-O 0 3 340.399 2.641 20 10 EFCDHN O=C(NCC(F)F)[C@@H]1CCC[C@@]12CC[N@@H+](Cc1ccccc1[O-])C2 ZINC001277442243 1312178250 /nfs/dbraw/zinc/17/82/50/1312178250.db2.gz UVZAFNQURLHCSW-KSSFIOAISA-N 0 3 338.398 2.766 20 10 EFCDHN O=C(NCC(F)F)[C@@H]1CCC[C@@]12CC[N@H+](Cc1ccccc1[O-])C2 ZINC001277442243 1312178252 /nfs/dbraw/zinc/17/82/52/1312178252.db2.gz UVZAFNQURLHCSW-KSSFIOAISA-N 0 3 338.398 2.766 20 10 EFCDHN Cc1noc(NC(=O)C23CC([NH2+]Cc4ccccc4[O-])(C2)C3)c1C ZINC001277442616 1312179115 /nfs/dbraw/zinc/17/91/15/1312179115.db2.gz XYMKFZPWGLKWOL-UHFFFAOYSA-N 0 3 327.384 2.648 20 10 EFCDHN COc1cccc(CN2CC[C@@H]3C[C@@]32C(=O)N2CCCC23CC3)c1O ZINC001277453931 1312228792 /nfs/dbraw/zinc/22/87/92/1312228792.db2.gz LBTRCVGNCMQQNI-QRWLVFNGSA-N 0 3 342.439 2.520 20 10 EFCDHN Cc1ccc([C@H](C)[NH2+]CCN2Cc3ccccc3OCC2=O)c([O-])c1 ZINC000903181646 1312438108 /nfs/dbraw/zinc/43/81/08/1312438108.db2.gz SZJXAIUSHREDPY-HNNXBMFYSA-N 0 3 340.423 2.772 20 10 EFCDHN COC(=O)c1cc(CN(C)Cc2ccc(N(C)C)cc2)ccc1O ZINC001231416997 1312494222 /nfs/dbraw/zinc/49/42/22/1312494222.db2.gz DYEVCBDVVOMRLE-UHFFFAOYSA-N 0 3 328.412 2.877 20 10 EFCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@@H+]1CC[C@@H](F)[C@H](O)C1 ZINC001231465559 1312504538 /nfs/dbraw/zinc/50/45/38/1312504538.db2.gz FFZKGFFBYJKPDM-IEBWSBKVSA-N 0 3 331.387 2.876 20 10 EFCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@H+]1CC[C@@H](F)[C@H](O)C1 ZINC001231465559 1312504542 /nfs/dbraw/zinc/50/45/42/1312504542.db2.gz FFZKGFFBYJKPDM-IEBWSBKVSA-N 0 3 331.387 2.876 20 10 EFCDHN Oc1cc(OCc2ccccc2)ccc1CN1CC[C@@H](F)[C@H](O)C1 ZINC001231465559 1312504545 /nfs/dbraw/zinc/50/45/45/1312504545.db2.gz FFZKGFFBYJKPDM-IEBWSBKVSA-N 0 3 331.387 2.876 20 10 EFCDHN CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000903267893 1312523659 /nfs/dbraw/zinc/52/36/59/1312523659.db2.gz HFJURITYLYJODZ-SQWLQELKSA-N 0 3 348.443 2.603 20 10 EFCDHN COc1ccc(Br)c(C[N@@H+]2CCC[C@H]2C(C)(C)O)c1[O-] ZINC001231558251 1312524827 /nfs/dbraw/zinc/52/48/27/1312524827.db2.gz ZVIYKHVIIYYZLH-ZDUSSCGKSA-N 0 3 344.249 2.899 20 10 EFCDHN COc1ccc(Br)c(C[N@H+]2CCC[C@H]2C(C)(C)O)c1[O-] ZINC001231558251 1312524828 /nfs/dbraw/zinc/52/48/28/1312524828.db2.gz ZVIYKHVIIYYZLH-ZDUSSCGKSA-N 0 3 344.249 2.899 20 10 EFCDHN CC(C)(O)CCN1CC[NH+](Cc2c([O-])ccc3ccccc32)CC1 ZINC001231589982 1312529052 /nfs/dbraw/zinc/52/90/52/1312529052.db2.gz WZFKHCUYNFNPLS-UHFFFAOYSA-N 0 3 328.456 2.824 20 10 EFCDHN COc1cc(CN(C)Cc2cc(OC)c(O)cc2O)cc(OC)c1 ZINC001231635545 1312535887 /nfs/dbraw/zinc/53/58/87/1312535887.db2.gz FFDBZXDXTNNKLB-UHFFFAOYSA-N 0 3 333.384 2.756 20 10 EFCDHN COc1ccccc1O[C@H]1CCN(Cc2cc(OC)c(O)cc2O)C1 ZINC001231636641 1312536998 /nfs/dbraw/zinc/53/69/98/1312536998.db2.gz ZDCLFZQMIROPGQ-AWEZNQCLSA-N 0 3 345.395 2.768 20 10 EFCDHN COc1cc(CN2CCN(C)[C@H](c3ccccc3)C2)c(O)cc1O ZINC001231637049 1312537309 /nfs/dbraw/zinc/53/73/09/1312537309.db2.gz YUPSGCOMNSUPTA-INIZCTEOSA-N 0 3 328.412 2.595 20 10 EFCDHN COc1cc(CN2CCC(Oc3ccc(F)cn3)CC2)c(O)cc1O ZINC001231640542 1312538010 /nfs/dbraw/zinc/53/80/10/1312538010.db2.gz SWXYJFVYUICHLV-UHFFFAOYSA-N 0 3 348.374 2.684 20 10 EFCDHN COc1ccc(CN2CCc3cccc(O)c3C2)cc1OC(C)=O ZINC001231710447 1312553744 /nfs/dbraw/zinc/55/37/44/1312553744.db2.gz KKYRQLKBEFTUKW-UHFFFAOYSA-N 0 3 327.380 2.884 20 10 EFCDHN Cc1ccc(CN2CC3(C[C@@H]3C(=O)N3CCCC34CC4)C2)c(O)c1 ZINC001277569198 1312568627 /nfs/dbraw/zinc/56/86/27/1312568627.db2.gz YCIMVOJOKJSCBL-MRXNPFEDSA-N 0 3 326.440 2.678 20 10 EFCDHN Cc1cc(C)c(CN2CCN(Cc3ccccc3)[C@@H](CO)C2)c(O)c1 ZINC001231842214 1312572819 /nfs/dbraw/zinc/57/28/19/1312572819.db2.gz KXDNHTQNBZEABW-LJQANCHMSA-N 0 3 340.467 2.688 20 10 EFCDHN COc1cccc(N2CCN(Cc3c(C)cc(C)cc3O)CC2)n1 ZINC001231849214 1312573964 /nfs/dbraw/zinc/57/39/64/1312573964.db2.gz PZQGNBIMTFBVRO-UHFFFAOYSA-N 0 3 327.428 2.735 20 10 EFCDHN COc1ccc(N2CCN(Cc3c(C)cc(C)cc3O)CC2)nc1 ZINC001231850385 1312574174 /nfs/dbraw/zinc/57/41/74/1312574174.db2.gz OHIPUFKMLIOMDA-UHFFFAOYSA-N 0 3 327.428 2.735 20 10 EFCDHN COc1cc(N(C)C)ccc1CN1CCCN(c2ccccn2)CC1 ZINC001231848034 1312574227 /nfs/dbraw/zinc/57/42/27/1312574227.db2.gz FCBYKNONFYLQRR-UHFFFAOYSA-N 0 3 340.471 2.869 20 10 EFCDHN CCOC(=O)CC1CCN(Cc2ccc(N(C)C)cc2OC)CC1 ZINC001231851473 1312574355 /nfs/dbraw/zinc/57/43/55/1312574355.db2.gz HVYCSFYUIWARJT-UHFFFAOYSA-N 0 3 334.460 2.926 20 10 EFCDHN CCCCOC(=O)[C@H]1CCN(Cc2ccc(N(C)C)cc2OC)C1 ZINC001231855738 1312574811 /nfs/dbraw/zinc/57/48/11/1312574811.db2.gz GZNUOJRRNPFDCH-INIZCTEOSA-N 0 3 334.460 2.926 20 10 EFCDHN CCOC(=O)[C@]1(C)CCCN(Cc2ccc(N(C)C)cc2OC)C1 ZINC001231855080 1312575830 /nfs/dbraw/zinc/57/58/30/1312575830.db2.gz QDOLTRJZSKGDAB-LJQANCHMSA-N 0 3 334.460 2.926 20 10 EFCDHN C[NH+]1CCC(CN2CCN(Cc3cccc(Cl)c3[O-])CC2)CC1 ZINC001231913673 1312586961 /nfs/dbraw/zinc/58/69/61/1312586961.db2.gz PCYVVDWKGOFQBG-UHFFFAOYSA-N 0 3 337.895 2.505 20 10 EFCDHN C[C@@H]1CCCN(Cc2ccc(N3CCOCC3)c(Cl)c2)[C@@H]1CO ZINC001232194202 1312646539 /nfs/dbraw/zinc/64/65/39/1312646539.db2.gz DTIDJYILQOTVOT-RDTXWAMCSA-N 0 3 338.879 2.769 20 10 EFCDHN C[C@H]1CCCN(Cc2ccc(N3CCOCC3)c(Cl)c2)[C@@H]1CO ZINC001232194199 1312646695 /nfs/dbraw/zinc/64/66/95/1312646695.db2.gz DTIDJYILQOTVOT-KBXCAEBGSA-N 0 3 338.879 2.769 20 10 EFCDHN C[C@@]1(O)CCCN(Cc2ccc(N3CCOCC3)c(Cl)c2)CC1 ZINC001232196682 1312647398 /nfs/dbraw/zinc/64/73/98/1312647398.db2.gz FDFDGRJKIWXGSE-GOSISDBHSA-N 0 3 338.879 2.914 20 10 EFCDHN Clc1cc(CN2CCC[C@]23CCOC3)ccc1N1CCOCC1 ZINC001232200371 1312647454 /nfs/dbraw/zinc/64/74/54/1312647454.db2.gz UVHQFVFEAHLHSJ-GOSISDBHSA-N 0 3 336.863 2.932 20 10 EFCDHN CCCN1CCN(Cc2ccc(N3CCOCC3)c(Cl)c2)CC1 ZINC001232202989 1312648006 /nfs/dbraw/zinc/64/80/06/1312648006.db2.gz KUHNQTRNACJMIY-UHFFFAOYSA-N 0 3 337.895 2.704 20 10 EFCDHN COCCCCN1CCN(Cc2cc(Cl)c(OC)cc2O)CC1 ZINC001232270547 1312663668 /nfs/dbraw/zinc/66/36/68/1312663668.db2.gz DXUWANASLNKOKK-UHFFFAOYSA-N 0 3 342.867 2.598 20 10 EFCDHN c1cc(N2CCOCC2)ccc1C1=CC[C@@H](N2CCOCC2)CC1 ZINC001245425588 1314489056 /nfs/dbraw/zinc/48/90/56/1314489056.db2.gz PMDPMQQCWIUOHX-HXUWFJFHSA-N 0 3 328.456 2.791 20 10 EFCDHN CCN(Cc1ccc(N(C)C)cc1)[C@H]1CN[C@H](C(=O)OC(C)(C)C)C1 ZINC001246920054 1314708813 /nfs/dbraw/zinc/70/88/13/1314708813.db2.gz IUZYBYRBJVLYGC-MSOLQXFVSA-N 0 3 347.503 2.647 20 10 EFCDHN CC(C)(C)CNC(=S)NC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC001248011328 1314880615 /nfs/dbraw/zinc/88/06/15/1314880615.db2.gz RAVGNNCZMFEPHQ-UHFFFAOYSA-N 0 3 335.517 2.867 20 10 EFCDHN Cc1ccc(C)n1-c1ccc(-c2noc(C[C@@H]3CNCCO3)n2)cc1 ZINC001248352753 1314928111 /nfs/dbraw/zinc/92/81/11/1314928111.db2.gz QAPIFXQEFJYRAR-QGZVFWFLSA-N 0 3 338.411 2.675 20 10 EFCDHN CCC[N@H+](C)Cc1cc(I)cc(OC)c1[O-] ZINC001248385824 1314930573 /nfs/dbraw/zinc/93/05/73/1314930573.db2.gz AHGAOKNAQWMAMT-UHFFFAOYSA-N 0 3 335.185 2.847 20 10 EFCDHN CCC[N@@H+](C)Cc1cc(I)cc(OC)c1[O-] ZINC001248385824 1314930575 /nfs/dbraw/zinc/93/05/75/1314930575.db2.gz AHGAOKNAQWMAMT-UHFFFAOYSA-N 0 3 335.185 2.847 20 10 EFCDHN COc1cc(I)cc(CN2CC[C@@H](C)C2)c1O ZINC001248391278 1314931043 /nfs/dbraw/zinc/93/10/43/1314931043.db2.gz PSKAGVWOJPPMQW-SECBINFHSA-N 0 3 347.196 2.847 20 10 EFCDHN COC(=O)Cc1ccc(C[NH+]2CCC(C(F)(F)F)CC2)c([O-])c1 ZINC001249177490 1315030066 /nfs/dbraw/zinc/03/00/66/1315030066.db2.gz AQZWGUWWUQHVGT-UHFFFAOYSA-N 0 3 331.334 2.882 20 10 EFCDHN COC(=O)Cc1ccc(C[N@@H+]2CCC[C@H](c3ccccn3)C2)c([O-])c1 ZINC001249201412 1315032651 /nfs/dbraw/zinc/03/26/51/1315032651.db2.gz RYHFMBMZHYASPL-INIZCTEOSA-N 0 3 340.423 2.882 20 10 EFCDHN COC(=O)Cc1ccc(C[N@H+]2CCC[C@H](c3ccccn3)C2)c([O-])c1 ZINC001249201412 1315032653 /nfs/dbraw/zinc/03/26/53/1315032653.db2.gz RYHFMBMZHYASPL-INIZCTEOSA-N 0 3 340.423 2.882 20 10 EFCDHN COC(=O)Cc1ccc(C[N@H+](C)CCc2cccc(OC)c2)c([O-])c1 ZINC001249208138 1315032726 /nfs/dbraw/zinc/03/27/26/1315032726.db2.gz NJGNUYQDYVQYFP-UHFFFAOYSA-N 0 3 343.423 2.791 20 10 EFCDHN COC(=O)Cc1ccc(C[N@@H+](C)CCc2cccc(OC)c2)c([O-])c1 ZINC001249208138 1315032727 /nfs/dbraw/zinc/03/27/27/1315032727.db2.gz NJGNUYQDYVQYFP-UHFFFAOYSA-N 0 3 343.423 2.791 20 10 EFCDHN COC(=O)Cc1ccc(C[N@@H+]2CCOC[C@H]2C2CCCCC2)c([O-])c1 ZINC001249216985 1315033531 /nfs/dbraw/zinc/03/35/31/1315033531.db2.gz JMHDQNHDIDFQSN-SFHVURJKSA-N 0 3 347.455 2.889 20 10 EFCDHN COC(=O)Cc1ccc(C[N@H+]2CCOC[C@H]2C2CCCCC2)c([O-])c1 ZINC001249216985 1315033534 /nfs/dbraw/zinc/03/35/34/1315033534.db2.gz JMHDQNHDIDFQSN-SFHVURJKSA-N 0 3 347.455 2.889 20 10 EFCDHN CN(C)C(=O)[C@H]1CCC[N@H+](Cc2ccc3c(c2[O-])C=CC(C)(C)O3)C1 ZINC001249244240 1315037946 /nfs/dbraw/zinc/03/79/46/1315037946.db2.gz CIYGKHAKTXLCJN-HNNXBMFYSA-N 0 3 344.455 2.877 20 10 EFCDHN CN(C)C(=O)[C@H]1CCC[N@@H+](Cc2ccc3c(c2[O-])C=CC(C)(C)O3)C1 ZINC001249244240 1315037948 /nfs/dbraw/zinc/03/79/48/1315037948.db2.gz CIYGKHAKTXLCJN-HNNXBMFYSA-N 0 3 344.455 2.877 20 10 EFCDHN CN(C)C(=O)[C@@H]1CCC[N@H+](Cc2ccc3c(c2[O-])C=CC(C)(C)O3)C1 ZINC001249244241 1315038220 /nfs/dbraw/zinc/03/82/20/1315038220.db2.gz CIYGKHAKTXLCJN-OAHLLOKOSA-N 0 3 344.455 2.877 20 10 EFCDHN CN(C)C(=O)[C@@H]1CCC[N@@H+](Cc2ccc3c(c2[O-])C=CC(C)(C)O3)C1 ZINC001249244241 1315038223 /nfs/dbraw/zinc/03/82/23/1315038223.db2.gz CIYGKHAKTXLCJN-OAHLLOKOSA-N 0 3 344.455 2.877 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=O)c2ccc(C#N)cc2)N(C)C)cc1 ZINC000038635166 1315039146 /nfs/dbraw/zinc/03/91/46/1315039146.db2.gz LPGASSAFYXIODD-LJQANCHMSA-N 0 3 336.439 2.657 20 10 EFCDHN COC(=O)[C@@]1(C)CC[N@H+](Cc2ccc3c(c2[O-])C=CC(C)(C)O3)C1 ZINC001249263634 1315041566 /nfs/dbraw/zinc/04/15/66/1315041566.db2.gz QSFFFKQMKZJXAW-IBGZPJMESA-N 0 3 331.412 2.961 20 10 EFCDHN COC(=O)[C@@]1(C)CC[N@@H+](Cc2ccc3c(c2[O-])C=CC(C)(C)O3)C1 ZINC001249263634 1315041568 /nfs/dbraw/zinc/04/15/68/1315041568.db2.gz QSFFFKQMKZJXAW-IBGZPJMESA-N 0 3 331.412 2.961 20 10 EFCDHN [NH3+][C@H](Cc1nc(-c2cnc3c(c2)CCCC3)no1)c1ccccc1[O-] ZINC001249339359 1315056401 /nfs/dbraw/zinc/05/64/01/1315056401.db2.gz MTPQLHIYEQINMK-OAHLLOKOSA-N 0 3 336.395 2.959 20 10 EFCDHN O=C1c2ccccc2C(=O)c2cc(O[C@H]3CCCNC[C@@H]3F)ccc21 ZINC001217952257 1315124690 /nfs/dbraw/zinc/12/46/90/1315124690.db2.gz VVUSHTPTUDFNEH-ROUUACIJSA-N 0 3 339.366 2.931 20 10 EFCDHN Cc1cc(O[C@@H]2CCC[NH2+]C2)c2c(c1)C(=O)c1cccc([O-])c1C2=O ZINC001217962674 1315126015 /nfs/dbraw/zinc/12/60/15/1315126015.db2.gz DYULDXIESKJAIT-GFCCVEGCSA-N 0 3 337.375 2.607 20 10 EFCDHN CCOC(=O)CCCOc1ccc(CN2CCSCC2)c(O)c1 ZINC001249731075 1315127726 /nfs/dbraw/zinc/12/77/26/1315127726.db2.gz QCMMXLDTMWRSKJ-UHFFFAOYSA-N 0 3 339.457 2.663 20 10 EFCDHN CCOC(=O)CCCOc1ccc(C[NH+]2CCSCC2)c([O-])c1 ZINC001249731075 1315127728 /nfs/dbraw/zinc/12/77/28/1315127728.db2.gz QCMMXLDTMWRSKJ-UHFFFAOYSA-N 0 3 339.457 2.663 20 10 EFCDHN O=C1c2cccc([O-])c2C(=O)c2c(O[C@H]3CCC[NH2+]CC3)cccc21 ZINC001217995114 1315130593 /nfs/dbraw/zinc/13/05/93/1315130593.db2.gz LEZJSQDAPAVKLG-LBPRGKRZSA-N 0 3 337.375 2.689 20 10 EFCDHN C[C@@H]1CC[NH2+]C[C@H]1Oc1c(O)c([O-])ccc1C(=O)c1ccccc1 ZINC001218043284 1315138020 /nfs/dbraw/zinc/13/80/20/1315138020.db2.gz JDDRZVXKPOAJMH-MLGOLLRUSA-N 0 3 327.380 2.706 20 10 EFCDHN C[C@H]1C[C@@H](Oc2cccc3c2C(=O)c2c([O-])cccc2C3=O)CC[NH2+]1 ZINC001218050232 1315139615 /nfs/dbraw/zinc/13/96/15/1315139615.db2.gz PVRLNZMADHQXGB-RYUDHWBXSA-N 0 3 337.375 2.687 20 10 EFCDHN O=C1c2cccc([O-])c2C(=O)c2c(O[C@H]3CC[C@]34CC[NH2+]C4)cccc21 ZINC001218117833 1315150856 /nfs/dbraw/zinc/15/08/56/1315150856.db2.gz UORUHRSPNWWULX-HRAATJIYSA-N 0 3 349.386 2.689 20 10 EFCDHN O=C1c2cccc([O-])c2C(=O)c2c(O[C@@H]3CC[C@]34CC[NH2+]C4)cccc21 ZINC001218117838 1315150955 /nfs/dbraw/zinc/15/09/55/1315150955.db2.gz UORUHRSPNWWULX-IIBYNOLFSA-N 0 3 349.386 2.689 20 10 EFCDHN O=C1c2cccc([O-])c2C(=O)c2c(O[C@@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)cccc21 ZINC001218183721 1315161211 /nfs/dbraw/zinc/16/12/11/1315161211.db2.gz CTWSOGYYINXJKJ-CLLJXQQHSA-N 0 3 349.386 2.829 20 10 EFCDHN O=C1c2cccc([O-])c2C(=O)c2c(O[C@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)cccc21 ZINC001218183723 1315161310 /nfs/dbraw/zinc/16/13/10/1315161310.db2.gz CTWSOGYYINXJKJ-ITGUQSILSA-N 0 3 349.386 2.829 20 10 EFCDHN Cc1cc(OC2CC3(CC[NH2+]3)C2)c2c(c1)C(=O)c1cccc([O-])c1C2=O ZINC001218245830 1315170408 /nfs/dbraw/zinc/17/04/08/1315170408.db2.gz HQKKADXPFDKITG-UHFFFAOYSA-N 0 3 349.386 2.749 20 10 EFCDHN O=C1c2cccc([O-])c2C(=O)c2c(O[C@@H]3C[C@@H]4CC[NH2+][C@H]4C3)cccc21 ZINC001218247184 1315170636 /nfs/dbraw/zinc/17/06/36/1315170636.db2.gz PKWOQTZAQLYPPA-ZOWXZIJZSA-N 0 3 349.386 2.687 20 10 EFCDHN C[C@@H]1CC[C@H](Oc2cccc3c2C(=O)c2c([O-])cccc2C3=O)C[NH2+]1 ZINC001218392726 1315188845 /nfs/dbraw/zinc/18/88/45/1315188845.db2.gz LEZVFOPTUCNWSK-NEPJUHHUSA-N 0 3 337.375 2.687 20 10 EFCDHN C[C@@H]1CC[C@H](Oc2c(O)c([O-])ccc2C(=O)c2ccccc2)C[NH2+]1 ZINC001218399404 1315189891 /nfs/dbraw/zinc/18/98/91/1315189891.db2.gz PZYBLYJNXHUPNJ-OCCSQVGLSA-N 0 3 327.380 2.848 20 10 EFCDHN O=C1c2cccc(O[C@@H]3C[NH2+]CCC34CC4)c2C(=O)c2cccc([O-])c21 ZINC001218405015 1315191339 /nfs/dbraw/zinc/19/13/39/1315191339.db2.gz MMYJVKHQMMMCEF-MRXNPFEDSA-N 0 3 349.386 2.689 20 10 EFCDHN CC(C)c1ccc(OC[C@@H](O)CNCc2ccc(O)c(O)c2)cc1 ZINC001250782417 1315263761 /nfs/dbraw/zinc/26/37/61/1315263761.db2.gz FZTHHMITUQCDKO-INIZCTEOSA-N 0 3 331.412 2.751 20 10 EFCDHN Cc1ccc(O)c(CN2CC3(CN(Cc4nc5ccccc5[nH]4)C3)C2)c1 ZINC001278615818 1315297672 /nfs/dbraw/zinc/29/76/72/1315297672.db2.gz YARUVTZEMGDAGW-UHFFFAOYSA-N 0 3 348.450 2.895 20 10 EFCDHN CC1(C)C[NH2+][C@](C)(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])C1 ZINC001220212586 1315385794 /nfs/dbraw/zinc/38/57/94/1315385794.db2.gz PEEUNVFMBQGOOS-SFHVURJKSA-N 0 3 347.846 2.988 20 10 EFCDHN CC[C@H](C)[C@@H]([NH2+]C)C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001220212843 1315386010 /nfs/dbraw/zinc/38/60/10/1315386010.db2.gz YOVITBUCJDHXPM-IINYFYTJSA-N 0 3 335.835 2.844 20 10 EFCDHN CC[C@]1(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])CCC[NH2+]C1 ZINC001220212879 1315386019 /nfs/dbraw/zinc/38/60/19/1315386019.db2.gz ZSIMPKRNTVKDHQ-SFHVURJKSA-N 0 3 347.846 2.990 20 10 EFCDHN [O-]c1cc2ccccc2cc1C[NH2+]C[C@@H](O)COCc1ccco1 ZINC001252660485 1315483353 /nfs/dbraw/zinc/48/33/53/1315483353.db2.gz VFPNXBUHZIWVNX-QGZVFWFLSA-N 0 3 327.380 2.806 20 10 EFCDHN CCCC[C@@H](CC)COC[C@@H](O)C[NH2+]Cc1ccc(O)cc1[O-] ZINC001253023534 1315555718 /nfs/dbraw/zinc/55/57/18/1315555718.db2.gz WMYMIHLDHQFIMG-PBHICJAKSA-N 0 3 325.449 2.781 20 10 EFCDHN CC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)COc1cccc(OC)c1 ZINC001253959598 1315656439 /nfs/dbraw/zinc/65/64/39/1315656439.db2.gz ZOBRWAZGKYIYQM-MRXNPFEDSA-N 0 3 331.412 2.663 20 10 EFCDHN CC[N@H+](Cc1ccccc1[O-])C[C@@H](O)COc1cccc(OC)c1 ZINC001253959598 1315656443 /nfs/dbraw/zinc/65/64/43/1315656443.db2.gz ZOBRWAZGKYIYQM-MRXNPFEDSA-N 0 3 331.412 2.663 20 10 EFCDHN CC[N@@H+](Cc1ccccc1[O-])C[C@H](O)COc1cccc(OC)c1 ZINC001253959597 1315656562 /nfs/dbraw/zinc/65/65/62/1315656562.db2.gz ZOBRWAZGKYIYQM-INIZCTEOSA-N 0 3 331.412 2.663 20 10 EFCDHN CC[N@H+](Cc1ccccc1[O-])C[C@H](O)COc1cccc(OC)c1 ZINC001253959597 1315656566 /nfs/dbraw/zinc/65/65/66/1315656566.db2.gz ZOBRWAZGKYIYQM-INIZCTEOSA-N 0 3 331.412 2.663 20 10 EFCDHN CC(C)OC1CCN(Cc2ccc(N3CCN(C)CC3)c(F)c2)CC1 ZINC001253997204 1315663661 /nfs/dbraw/zinc/66/36/61/1315663661.db2.gz KTANPISAAKWSOL-UHFFFAOYSA-N 0 3 349.494 2.967 20 10 EFCDHN CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]([NH2+]Cc3cccc(O)c3[O-])C[C@@H]2C1 ZINC001254896291 1315756587 /nfs/dbraw/zinc/75/65/87/1315756587.db2.gz SNZVAWIOJNLTHU-QDMKHBRRSA-N 0 3 348.443 2.833 20 10 EFCDHN Cc1cc(CN2CCCN(C(N)=O)CC2)ccc1N1CCCCC1 ZINC000827649965 1316009854 /nfs/dbraw/zinc/00/98/54/1316009854.db2.gz PLWFMTBMYPFLNY-UHFFFAOYSA-N 0 3 330.476 2.572 20 10 EFCDHN CCOC(=O)c1ccc(C[C@@H](C)[NH2+]Cc2cccc(O)c2[O-])cc1 ZINC001257150849 1316039849 /nfs/dbraw/zinc/03/98/49/1316039849.db2.gz HETAJVVUDOCVQS-CYBMUJFWSA-N 0 3 329.396 2.995 20 10 EFCDHN CCOC(=O)CCC[C@@H](C)N1CCN(c2ccc(OC)cc2)CC1 ZINC001258116049 1316119684 /nfs/dbraw/zinc/11/96/84/1316119684.db2.gz BALMQKYTXKDNJK-MRXNPFEDSA-N 0 3 334.460 2.939 20 10 EFCDHN C[C@@H]1CC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CN1CCCF ZINC001072102268 1316358086 /nfs/dbraw/zinc/35/80/86/1316358086.db2.gz NXGTWICFYUMUOM-IUODEOHRSA-N 0 3 349.410 2.791 20 10 EFCDHN CN(C)c1cc(F)c(CNCCc2cn3c(n2)SCC3)cc1F ZINC001261788307 1316430599 /nfs/dbraw/zinc/43/05/99/1316430599.db2.gz RFVKMOLYYPKWPH-UHFFFAOYSA-N 0 3 338.427 2.665 20 10 EFCDHN Cc1cc(CNCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)n[nH]1 ZINC001318620346 1328654227 /nfs/dbraw/zinc/65/42/27/1328654227.db2.gz AEGJBCNCOFZOPA-KBPBESRZSA-N 0 3 332.423 2.761 20 10 EFCDHN C[C@@H]1C[C@H]([NH2+][C@H]2CCN(c3cnn(C)c3)C2)c2c1c(F)ccc2[O-] ZINC001320125389 1329090582 /nfs/dbraw/zinc/09/05/82/1329090582.db2.gz RTBMJSBFTIPLGR-XUJVJEKNSA-N 0 3 330.407 2.682 20 10 EFCDHN CC(C)CO[C@H]1CCN(Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001320522099 1329151784 /nfs/dbraw/zinc/15/17/84/1329151784.db2.gz FPGQOOIXULWDLR-SFHVURJKSA-N 0 3 349.494 2.824 20 10 EFCDHN CCN(CC)c1ccc(CN(C)CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000746654649 1324421905 /nfs/dbraw/zinc/42/19/05/1324421905.db2.gz PILBMJIVRJTZJX-UHFFFAOYSA-N 0 3 331.420 2.770 20 10 EFCDHN CN(Cc1ccc(O)cc1)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001325733405 1329709418 /nfs/dbraw/zinc/70/94/18/1329709418.db2.gz JPMVCKCSWWIJSO-UHFFFAOYSA-N 0 3 343.446 2.915 20 10 EFCDHN CCOC1CCN(Cc2ccc(N3CCN(C)CC3)c(F)c2)CC1 ZINC001326431543 1329756086 /nfs/dbraw/zinc/75/60/86/1329756086.db2.gz TVLVNALXBXXPAS-UHFFFAOYSA-N 0 3 335.467 2.578 20 10 EFCDHN COc1ccc(CN[C@H](CN(C)C)c2ccc(F)cc2)c(O)c1OC ZINC001333824348 1331220128 /nfs/dbraw/zinc/22/01/28/1331220128.db2.gz XETCANIHPRSIJI-MRXNPFEDSA-N 0 3 348.418 2.941 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=O)N[C@H]2CC=CCC2)N(C)C)cc1 ZINC001334186907 1331262872 /nfs/dbraw/zinc/26/28/72/1331262872.db2.gz KBYKBNMBXFZAPM-FUHWJXTLSA-N 0 3 330.476 2.763 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)N[C@H]2CC=CCC2)N(C)C)cc1 ZINC001334186914 1331262893 /nfs/dbraw/zinc/26/28/93/1331262893.db2.gz KBYKBNMBXFZAPM-WMZOPIPTSA-N 0 3 330.476 2.763 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)NCCCC(F)F)N(C)C)cc1 ZINC001335561961 1331374126 /nfs/dbraw/zinc/37/41/26/1331374126.db2.gz XXVNMPNFNSBTMT-HNNXBMFYSA-N 0 3 342.434 2.700 20 10 EFCDHN Cc1cc(C(=O)NC[C@H]2CCCCN2C)c(C)n1-c1ccccn1 ZINC001336204004 1331446225 /nfs/dbraw/zinc/44/62/25/1331446225.db2.gz RRIOEOBCNYZZEQ-MRXNPFEDSA-N 0 3 326.444 2.703 20 10 EFCDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)NCc1ccc(N)cc1 ZINC001337019257 1331527879 /nfs/dbraw/zinc/52/78/79/1331527879.db2.gz QFOSQZLYFAJUKO-UHFFFAOYSA-N 0 3 344.434 2.681 20 10 EFCDHN CC[C@H](N[C@H](C)C(=O)NCC(F)(F)F)c1ccc(N(C)C)cc1 ZINC001337294855 1331558409 /nfs/dbraw/zinc/55/84/09/1331558409.db2.gz TXDIQFQPGYSVIH-RISCZKNCSA-N 0 3 331.382 2.860 20 10 EFCDHN CCN(C)c1ccc([C@@H](C)N[C@H](C)C(=O)NCC(F)(F)F)cc1 ZINC001337294683 1331558608 /nfs/dbraw/zinc/55/86/08/1331558608.db2.gz ROJIBSUGJAFIDH-VXGBXAGGSA-N 0 3 331.382 2.860 20 10 EFCDHN CC[C@@H](C)C[C@H](N)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC001341571219 1332268654 /nfs/dbraw/zinc/26/86/54/1332268654.db2.gz MPXGRLNOLMFICU-PBHICJAKSA-N 0 3 335.517 2.620 20 10 EFCDHN COc1ccc(N2CCCN(Cc3cccnc3N(C)C)CC2)cc1 ZINC001343225059 1332342679 /nfs/dbraw/zinc/34/26/79/1332342679.db2.gz SWESZNMDOUWDGC-UHFFFAOYSA-N 0 3 340.471 2.869 20 10 EFCDHN Cc1cc(CNCc2ccc(N3CCN(C)CC3)c(F)c2)ccn1 ZINC001344073853 1332401093 /nfs/dbraw/zinc/40/10/93/1332401093.db2.gz CHYNRRYCSFIPDW-UHFFFAOYSA-N 0 3 328.435 2.571 20 10 EFCDHN Cc1cc(C)c(CNCc2ccc(N3CCN(C)CC3)c(F)c2)cn1 ZINC001347793507 1332773833 /nfs/dbraw/zinc/77/38/33/1332773833.db2.gz LCZQGULEOYWKSI-UHFFFAOYSA-N 0 3 342.462 2.879 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)c2ccc(Cl)[nH]2)N(C)C)cc1 ZINC001348013678 1332793443 /nfs/dbraw/zinc/79/34/43/1332793443.db2.gz ZNHSPTTZISHNRX-HNNXBMFYSA-N 0 3 334.851 2.767 20 10 EFCDHN CC(=O)OC[C@H](C)[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC001355255123 1334725516 /nfs/dbraw/zinc/72/55/16/1334725516.db2.gz UNXINNJODYUFEL-LRDDRELGSA-N 0 3 340.851 2.551 20 10 EFCDHN CCOc1ccc(C[NH2+][C@H]2CCc3ccccc3NC2=O)c([O-])c1 ZINC000848561229 1334795548 /nfs/dbraw/zinc/79/55/48/1334795548.db2.gz RTNCMJAILMTTLI-KRWDZBQOSA-N 0 3 326.396 2.834 20 10 EFCDHN CCC(C)(C)N1CCN(c2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000848760827 1334880674 /nfs/dbraw/zinc/88/06/74/1334880674.db2.gz JTHPBMIRPJJLLR-UHFFFAOYSA-N 0 3 337.420 2.923 20 10 EFCDHN CN(C)c1ccc(CN2CCC([C@@H]3NC(=O)C3(C)C)CC2)cc1F ZINC000848918585 1334985411 /nfs/dbraw/zinc/98/54/11/1334985411.db2.gz DYEDMJJRXAEVHY-KRWDZBQOSA-N 0 3 333.451 2.628 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CCCSC2)N(C)C)cc1 ZINC000891246270 714132342 /nfs/dbraw/zinc/13/23/42/714132342.db2.gz BQMFPIOMUHYGMC-NVXWUHKLSA-N 0 3 335.517 2.615 20 10 EFCDHN Cc1nsc(C)c1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891246278 714132795 /nfs/dbraw/zinc/13/27/95/714132795.db2.gz BUHMDSXWUSVFEU-MRXNPFEDSA-N 0 3 346.500 2.859 20 10 EFCDHN CCc1cccnc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891246382 714133518 /nfs/dbraw/zinc/13/35/18/714133518.db2.gz BWSQYSCYBSLMNF-SFHVURJKSA-N 0 3 340.471 2.743 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)C[C@@H]2CC[C@H]3C[C@H]32)N(C)C)cc1 ZINC000891246670 714133917 /nfs/dbraw/zinc/13/39/17/714133917.db2.gz DTBZQJXJNGDKMP-DKKFBQAASA-N 0 3 329.488 2.908 20 10 EFCDHN CCOC1(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)CCCC1 ZINC000891247032 714134367 /nfs/dbraw/zinc/13/43/67/714134367.db2.gz GTMMWJMPAOBNIH-GOSISDBHSA-N 0 3 347.503 2.821 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)C(C)(C)C(F)F)N(C)C)cc1 ZINC000891247152 714134835 /nfs/dbraw/zinc/13/48/35/714134835.db2.gz FZCVLQXVSBJEDT-AWEZNQCLSA-N 0 3 327.419 2.763 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)c2ncoc2C2CC2)N(C)C)cc1 ZINC000891247351 714135257 /nfs/dbraw/zinc/13/52/57/714135257.db2.gz IZDAPDHTWAZTDT-INIZCTEOSA-N 0 3 342.443 2.651 20 10 EFCDHN Cc1ccoc1CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891248551 714136111 /nfs/dbraw/zinc/13/61/11/714136111.db2.gz YLMQBSPVFXDIPZ-KRWDZBQOSA-N 0 3 329.444 2.616 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)[C@@H]2C[C@H]2c2ccco2)N(C)C)cc1 ZINC000891248587 714136367 /nfs/dbraw/zinc/13/63/67/714136367.db2.gz ZFXKYBJAEXJFOZ-KURKYZTESA-N 0 3 341.455 2.868 20 10 EFCDHN CCOC1CC(CC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC000891249396 714138453 /nfs/dbraw/zinc/13/84/53/714138453.db2.gz SKRBMFAKLOBXGZ-PPSBMQLTSA-N 0 3 347.503 2.677 20 10 EFCDHN C[C@@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1ccccn1 ZINC000891249799 714139238 /nfs/dbraw/zinc/13/92/38/714139238.db2.gz SXBKZTSTNVIXBL-BEFAXECRSA-N 0 3 340.471 2.670 20 10 EFCDHN CO[C@H](CC(C)C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891248947 714139642 /nfs/dbraw/zinc/13/96/42/714139642.db2.gz OZBTXMFJCGCWNK-ZWKOTPCHSA-N 0 3 335.492 2.533 20 10 EFCDHN Cc1nscc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891250038 714141421 /nfs/dbraw/zinc/14/14/21/714141421.db2.gz YDQJFGPHNXGABD-INIZCTEOSA-N 0 3 332.473 2.550 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CC2(Cl)Cl)N(C)C)cc1 ZINC000891252071 714142714 /nfs/dbraw/zinc/14/27/14/714142714.db2.gz FRRXPVHOZBVZQZ-KBPBESRZSA-N 0 3 344.286 2.665 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)CCCn2cccc2)N(C)C)cc1 ZINC000891251022 714143748 /nfs/dbraw/zinc/14/37/48/714143748.db2.gz BVEWQOLPYBZDJC-IBGZPJMESA-N 0 3 342.487 2.753 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)C(C2CC2)C2CC2)N(C)C)cc1 ZINC000891251027 714143957 /nfs/dbraw/zinc/14/39/57/714143957.db2.gz BWKHZLZFECRVIJ-SFHVURJKSA-N 0 3 329.488 2.908 20 10 EFCDHN Cc1ccc(CC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)o1 ZINC000891251524 714144448 /nfs/dbraw/zinc/14/44/48/714144448.db2.gz FUVILCJJBCOROT-SFHVURJKSA-N 0 3 329.444 2.616 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)CC2(O)CCCCC2)N(C)C)cc1 ZINC000891251586 714144894 /nfs/dbraw/zinc/14/48/94/714144894.db2.gz HCDZVIZXFLTQDK-SFHVURJKSA-N 0 3 347.503 2.557 20 10 EFCDHN CCc1ncsc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891252434 714145335 /nfs/dbraw/zinc/14/53/35/714145335.db2.gz LLCQDPCRNGMBMC-INIZCTEOSA-N 0 3 346.500 2.804 20 10 EFCDHN Cc1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)cc1O ZINC000891251650 714145524 /nfs/dbraw/zinc/14/55/24/714145524.db2.gz CWOMZWRIRAPCQG-SFHVURJKSA-N 0 3 341.455 2.799 20 10 EFCDHN CC(C)c1cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)on1 ZINC000891251855 714145538 /nfs/dbraw/zinc/14/55/38/714145538.db2.gz HOOBKPJXBIJFSJ-QGZVFWFLSA-N 0 3 344.459 2.897 20 10 EFCDHN CCc1ncsc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891252435 714145629 /nfs/dbraw/zinc/14/56/29/714145629.db2.gz LLCQDPCRNGMBMC-MRXNPFEDSA-N 0 3 346.500 2.804 20 10 EFCDHN CC(C)COCCC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891255139 714150287 /nfs/dbraw/zinc/15/02/87/714150287.db2.gz NEPPJJLKMCWHDT-GOSISDBHSA-N 0 3 335.492 2.534 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)c2ccnc(Cl)c2)N(C)C)cc1 ZINC000891255962 714150710 /nfs/dbraw/zinc/15/07/10/714150710.db2.gz UFHZZCQFNJHCRH-INIZCTEOSA-N 0 3 346.862 2.834 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=O)c2cccnc2Cl)N(C)C)cc1 ZINC000891256853 714151057 /nfs/dbraw/zinc/15/10/57/714151057.db2.gz APJSTFUTGNSBSI-MRXNPFEDSA-N 0 3 346.862 2.834 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=O)CCC(C)(F)F)N(C)C)cc1 ZINC000891255433 714151898 /nfs/dbraw/zinc/15/18/98/714151898.db2.gz PEZNAFYWBRJVRV-OAHLLOKOSA-N 0 3 327.419 2.907 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)CSC(F)(F)F)N(C)C)cc1 ZINC000891255457 714151917 /nfs/dbraw/zinc/15/19/17/714151917.db2.gz PQQJXQXQVCYEBL-ZDUSSCGKSA-N 0 3 349.422 2.725 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=O)c2ccc(Cl)nc2)N(C)C)cc1 ZINC000891258670 714156284 /nfs/dbraw/zinc/15/62/84/714156284.db2.gz YYGWXDDNRKSLCE-MRXNPFEDSA-N 0 3 346.862 2.834 20 10 EFCDHN COc1ccc(CN(C)C[C@@H]2COc3ccccc3O2)c(O)c1OC ZINC000891483926 714778412 /nfs/dbraw/zinc/77/84/12/714778412.db2.gz XTKGNAAUPQQJDQ-CQSZACIVSA-N 0 3 345.395 2.681 20 10 EFCDHN COc1ccc(CN(C)Cc2ccc3c(c2)OCCO3)c(O)c1OC ZINC000891488090 714780481 /nfs/dbraw/zinc/78/04/81/714780481.db2.gz RKTYJTXMIOLBLL-UHFFFAOYSA-N 0 3 345.395 2.813 20 10 EFCDHN COc1ccc(CN(C)Cc2ccc3c(c2)OCO3)c(O)c1OC ZINC000891512717 714794430 /nfs/dbraw/zinc/79/44/30/714794430.db2.gz VTMDNHMWJAUESS-UHFFFAOYSA-N 0 3 331.368 2.770 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=O)NCc2ccsc2)N(C)C)cc1 ZINC000891854270 715067025 /nfs/dbraw/zinc/06/70/25/715067025.db2.gz HWJREKLJDAZWBE-QGZVFWFLSA-N 0 3 346.500 2.916 20 10 EFCDHN COc1ccc(CN2CCC[C@@H]2c2cn(C)nc2C)c(O)c1OC ZINC000892222834 715372408 /nfs/dbraw/zinc/37/24/08/715372408.db2.gz BHNRIAFKTYFJFR-OAHLLOKOSA-N 0 3 331.416 2.788 20 10 EFCDHN C[C@@H](N[C@H](C)c1ccc(N2CCOCC2)cc1)C(=O)N1CCCCC1 ZINC000178462955 716887958 /nfs/dbraw/zinc/88/79/58/716887958.db2.gz AMQDASATXYAURZ-IAGOWNOFSA-N 0 3 345.487 2.575 20 10 EFCDHN Cc1cc(N(C)C)ccc1CNCc1ccccc1CS(C)(=O)=O ZINC000840935512 717581537 /nfs/dbraw/zinc/58/15/37/717581537.db2.gz ROXWXQCRGMNEKI-UHFFFAOYSA-N 0 3 346.496 2.895 20 10 EFCDHN COc1ccc(CNC2(c3ccc4c(c3)OCO4)CC2)c(O)c1OC ZINC000893146663 719732066 /nfs/dbraw/zinc/73/20/66/719732066.db2.gz NLQAGJKRZYJWEZ-UHFFFAOYSA-N 0 3 343.379 2.917 20 10 EFCDHN CCOc1ccc(C[C@@H](C[NH2+]Cc2ccccc2[O-])C(=O)OC)cc1 ZINC000894141943 720890626 /nfs/dbraw/zinc/89/06/26/720890626.db2.gz XAZZJDVCVXQOFS-KRWDZBQOSA-N 0 3 343.423 2.912 20 10 EFCDHN FC(F)(F)c1cc(N2CCOCC2)ccc1CNCc1cnc[nH]1 ZINC000894187578 721184794 /nfs/dbraw/zinc/18/47/94/721184794.db2.gz LPBXXHVZPGMZTK-UHFFFAOYSA-N 0 3 340.349 2.555 20 10 EFCDHN COc1cc(C)cc(CN[C@@H]2CCN(c3ccc(C)cc3)C2=O)c1O ZINC000894268712 721823002 /nfs/dbraw/zinc/82/30/02/721823002.db2.gz LZXWSDLVWRGSAP-QGZVFWFLSA-N 0 3 340.423 2.913 20 10 EFCDHN CCN(C(=O)CNCc1cc(OC)c(OC)cc1O)c1ccccc1 ZINC000896291952 723244226 /nfs/dbraw/zinc/24/42/26/723244226.db2.gz BOMZHERZCNRJHB-UHFFFAOYSA-N 0 3 344.411 2.552 20 10 EFCDHN CN(Cc1cccs1)c1ccc(CN[C@H]2C(=O)NCC2(C)C)cc1 ZINC000895321020 724027809 /nfs/dbraw/zinc/02/78/09/724027809.db2.gz JQANCRUHRMULRW-KRWDZBQOSA-N 0 3 343.496 2.999 20 10 EFCDHN COC[C@H](NCc1ccc(OC)c(OC)c1O)c1cccc(OC)c1 ZINC000895347305 724050787 /nfs/dbraw/zinc/05/07/87/724050787.db2.gz FSOBIRSHFXGXIT-INIZCTEOSA-N 0 3 347.411 2.895 20 10 EFCDHN CCO/C=C\[C@](O)(CNCc1ccc(OC)c(C)c1)C(F)(F)F ZINC000895706809 724266226 /nfs/dbraw/zinc/26/62/26/724266226.db2.gz IMKHJFZJFHYVGK-LZNQSLFOSA-N 0 3 333.350 2.937 20 10 EFCDHN O=[N+]([O-])c1cc(CN2C[C@@H]3[C@H](O)CC[C@@H]3C2)ccc1N1CCCCC1 ZINC000895785098 724313061 /nfs/dbraw/zinc/31/30/61/724313061.db2.gz QHNWPRJJUYYFPU-JTDSTZFVSA-N 0 3 345.443 2.788 20 10 EFCDHN COc1ccc(CNCc2cnn(CC3CCC3)c2)c(O)c1OC ZINC000897428693 725730260 /nfs/dbraw/zinc/73/02/60/725730260.db2.gz PKPLSAGFQVUTEP-UHFFFAOYSA-N 0 3 331.416 2.696 20 10 EFCDHN CN(C)c1ccc([C@@H](CNc2cc(Cl)nc(=O)[nH]2)N(C)C)cc1 ZINC000897521657 726397676 /nfs/dbraw/zinc/39/76/76/726397676.db2.gz HCAOCBYDQLYCQC-CYBMUJFWSA-N 0 3 335.839 2.616 20 10 EFCDHN CCN1CCN(c2ccc(NC(=O)C3=CC(=O)CS3)cc2)CC1 ZINC000732263921 727012038 /nfs/dbraw/zinc/01/20/38/727012038.db2.gz YICAYRDQRBXESG-UHFFFAOYSA-N 0 3 331.441 2.848 20 10 EFCDHN CC[C@H]([NH2+]Cc1ccc(OCC(N)=O)c(OC)c1)c1ccccc1[O-] ZINC000155404682 727140792 /nfs/dbraw/zinc/14/07/92/727140792.db2.gz AURFZGIODLXRQI-HNNXBMFYSA-N 0 3 344.411 2.506 20 10 EFCDHN C[C@H](NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1cccnc1 ZINC000732917484 727308007 /nfs/dbraw/zinc/30/80/07/727308007.db2.gz VCLODLUIAYSGST-YJBOKZPZSA-N 0 3 338.455 2.634 20 10 EFCDHN CCOCCOCCN(C)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000189231657 728029666 /nfs/dbraw/zinc/02/96/66/728029666.db2.gz FHNUMJBIEMROGL-UHFFFAOYSA-N 0 3 325.449 2.880 20 10 EFCDHN COc1ccc(O)c([C@@H](C)NCC(=O)NCc2ccccc2F)c1 ZINC000182338785 728092605 /nfs/dbraw/zinc/09/26/05/728092605.db2.gz ZAXFQGREWAUQTG-GFCCVEGCSA-N 0 3 332.375 2.507 20 10 EFCDHN COc1ccc(O)c([C@H](C)NCC(=O)Nc2ccc(F)c(F)c2)c1 ZINC000182372712 728120833 /nfs/dbraw/zinc/12/08/33/728120833.db2.gz XWYLTLDENHAEPM-JTQLQIEISA-N 0 3 336.338 2.968 20 10 EFCDHN CCN(CC)CC(=O)N(CC)Cc1cc(Br)ccc1O ZINC000075416755 728189779 /nfs/dbraw/zinc/18/97/79/728189779.db2.gz CLXBQNPYTGPBCC-UHFFFAOYSA-N 0 3 343.265 2.845 20 10 EFCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@@H]1CN(Cc3ccccc3)CCO1)CC2 ZINC000382418553 728242386 /nfs/dbraw/zinc/24/23/86/728242386.db2.gz AWDTVZCAYPPGBX-RTBURBONSA-N 0 3 338.451 2.870 20 10 EFCDHN CCOc1ccc(O)c(CN2CCN(c3ccc(O)cc3)CC2)c1 ZINC000157923409 728252256 /nfs/dbraw/zinc/25/22/56/728252256.db2.gz QMSKDESPPVVALF-UHFFFAOYSA-N 0 3 328.412 2.819 20 10 EFCDHN CCCN1CCN(Cc2cc(Br)cc(OC)c2O)CC1 ZINC000179495171 729568712 /nfs/dbraw/zinc/56/87/12/729568712.db2.gz UDWABEPZBQQSHQ-UHFFFAOYSA-N 0 3 343.265 2.691 20 10 EFCDHN CC(=O)c1cc(F)cc(C[NH2+]C2(Cc3c[nH]nn3)CCCCC2)c1[O-] ZINC001575168101 1088282409 /nfs/dbraw/zinc/28/24/09/1088282409.db2.gz UDPKHQIXQCSCBJ-UHFFFAOYSA-N 0 3 346.406 2.887 20 10 EFCDHN CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@H](N)Cc1ccccc1 ZINC001578489794 1090384945 /nfs/dbraw/zinc/38/49/45/1090384945.db2.gz MHFJGHMTSHXRAJ-HXUWFJFHSA-N 0 3 337.467 2.815 20 10 EFCDHN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CCN[C@@H](C(C)C)C1 ZINC001579617959 1090644595 /nfs/dbraw/zinc/64/45/95/1090644595.db2.gz XIYVHEMQJOATPW-VQIMIIECSA-N 0 3 346.519 2.631 20 10 EFCDHN Nc1ccsc1CNCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC001580464913 1090910036 /nfs/dbraw/zinc/91/00/36/1090910036.db2.gz XHHNANRDRUAVMH-UHFFFAOYSA-N 0 3 339.411 2.735 20 10 EFCDHN CC[C@@H]([NH2+][C@H]1Cc2ccc(-c3nn[nH]n3)cc2C1)c1ccccc1[O-] ZINC001590464971 1093435171 /nfs/dbraw/zinc/43/51/71/1093435171.db2.gz RXTIBIUPCQFOGM-DOTOQJQBSA-N 0 3 335.411 2.780 20 10 EFCDHN CC[C@H]([NH2+]Cc1ccc(-c2nnn[n-]2)c(OC)c1)c1ccccc1O ZINC001590467218 1093438108 /nfs/dbraw/zinc/43/81/08/1093438108.db2.gz SVIKNZSYGFWZMM-HNNXBMFYSA-N 0 3 339.399 2.822 20 10 EFCDHN CCCN(Cc1csc(-c2nnn[n-]2)c1)c1ccc(C[NH3+])cc1 ZINC001590632758 1093527044 /nfs/dbraw/zinc/52/70/44/1093527044.db2.gz URYCWIPPEGVWOP-UHFFFAOYSA-N 0 3 328.445 2.804 20 10 EFCDHN COc1cc(Br)cc(CN2CCC[C@H]([C@H](C)O)C2)c1O ZINC000780893708 1094588007 /nfs/dbraw/zinc/58/80/07/1094588007.db2.gz ZDOSMRNFMYXRIB-QWRGUYRKSA-N 0 3 344.249 2.756 20 10 EFCDHN Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2Cc3ccc(-c4nn[n-]n4)cc3C2)c1 ZINC001605876028 1097262238 /nfs/dbraw/zinc/26/22/38/1097262238.db2.gz ZIZLSOYDRNUITA-MLGOLLRUSA-N 0 3 335.411 2.699 20 10 EFCDHN Cc1cccc(C[NH2+]Cc2ccc(-c3nnn[n-]3)c(Cl)c2)c1O ZINC001605914836 1097274946 /nfs/dbraw/zinc/27/49/46/1097274946.db2.gz WZOPPELPABNDGT-UHFFFAOYSA-N 0 3 329.791 2.824 20 10 EFCDHN Cc1cccc(C[NH2+]Cc2ccc(-c3nn[n-]n3)c(Cl)c2)c1O ZINC001605914836 1097274949 /nfs/dbraw/zinc/27/49/49/1097274949.db2.gz WZOPPELPABNDGT-UHFFFAOYSA-N 0 3 329.791 2.824 20 10 EFCDHN CN(C)c1ccc(CNC(=O)CN2CC[C@@H]3CCCC[C@@H]3C2)cc1 ZINC000007241680 1098246766 /nfs/dbraw/zinc/24/67/66/1098246766.db2.gz KWTUAKRBTLANCO-ZWKOTPCHSA-N 0 3 329.488 2.881 20 10 EFCDHN O=C(c1cccc(O)c1[O-])N1CCC[C@@]2(CC[N@@H+](C3CCCC3)C2)C1 ZINC001269608107 1098286396 /nfs/dbraw/zinc/28/63/96/1098286396.db2.gz UEEDRQGTEIHVAF-FQEVSTJZSA-N 0 3 344.455 2.969 20 10 EFCDHN O=C(c1cccc(O)c1[O-])N1CCC[C@@]2(CC[N@H+](C3CCCC3)C2)C1 ZINC001269608107 1098286398 /nfs/dbraw/zinc/28/63/98/1098286398.db2.gz UEEDRQGTEIHVAF-FQEVSTJZSA-N 0 3 344.455 2.969 20 10 EFCDHN C[C@@H]([NH2+]CCN1CCN(c2ccccc2)CC1)c1ccccc1[O-] ZINC000783499120 1100280653 /nfs/dbraw/zinc/28/06/53/1100280653.db2.gz LIKLFBHJFYOPMZ-QGZVFWFLSA-N 0 3 325.456 2.865 20 10 EFCDHN C[NH2+]C[C@@H]1CCCN(Cc2cc(Br)c(C)cc2[O-])C1 ZINC001205018603 1101704154 /nfs/dbraw/zinc/70/41/54/1101704154.db2.gz VNNMNTHVRGEDJD-LBPRGKRZSA-N 0 3 327.266 2.895 20 10 EFCDHN C[NH2+]C[C@H]1CCCN(Cc2cc(Br)c(C)cc2[O-])C1 ZINC001205018602 1101705061 /nfs/dbraw/zinc/70/50/61/1101705061.db2.gz VNNMNTHVRGEDJD-GFCCVEGCSA-N 0 3 327.266 2.895 20 10 EFCDHN C[C@@H]1COCCN1CC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000729678738 1104768996 /nfs/dbraw/zinc/76/89/96/1104768996.db2.gz IERRUSFVPAWRHY-MRXNPFEDSA-N 0 3 326.440 2.870 20 10 EFCDHN CCOc1ccc(C[N@@H+]2CCC[C@H](Cc3nc(C)no3)C2)c([O-])c1 ZINC000897579275 1105776788 /nfs/dbraw/zinc/77/67/88/1105776788.db2.gz SJSCHVQSEDOMJW-CQSZACIVSA-N 0 3 331.416 2.937 20 10 EFCDHN CCOc1ccc(C[N@H+]2CCC[C@H](Cc3nc(C)no3)C2)c([O-])c1 ZINC000897579275 1105776792 /nfs/dbraw/zinc/77/67/92/1105776792.db2.gz SJSCHVQSEDOMJW-CQSZACIVSA-N 0 3 331.416 2.937 20 10 EFCDHN CN(C)CCN(Cc1ccsc1)C(=O)NCCc1ccc(N)cc1 ZINC000841955846 1106041534 /nfs/dbraw/zinc/04/15/34/1106041534.db2.gz PODZUWXEVLDZJQ-UHFFFAOYSA-N 0 3 346.500 2.646 20 10 EFCDHN CC(C)CN1C[C@]2(CC1=O)CCCCN2Cc1cc(O)ccc1O ZINC001272385834 1108147663 /nfs/dbraw/zinc/14/76/63/1108147663.db2.gz FUCZOZPXRWETGN-LJQANCHMSA-N 0 3 332.444 2.711 20 10 EFCDHN O=C1N(C2CCCC2)CC[C@]12CCCN2Cc1cc(O)ccc1O ZINC001272386598 1108151049 /nfs/dbraw/zinc/15/10/49/1108151049.db2.gz NXTSFVHARIXLMH-LJQANCHMSA-N 0 3 330.428 2.607 20 10 EFCDHN CC[C@@H](C)N1C[C@@]2(CC1=O)CCCCN2Cc1cc(O)ccc1O ZINC001272387316 1108152392 /nfs/dbraw/zinc/15/23/92/1108152392.db2.gz WNKPBBVJPGHUQQ-KUHUBIRLSA-N 0 3 332.444 2.853 20 10 EFCDHN C[C@H](NC[C@H](c1ccc(N(C)C)cc1)N(C)C)C(=O)OC(C)(C)C ZINC000898448785 1108942819 /nfs/dbraw/zinc/94/28/19/1108942819.db2.gz XDHWTHYXVSPHNI-WMLDXEAASA-N 0 3 335.492 2.675 20 10 EFCDHN CC(C)N(C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)C1CC1 ZINC000899101276 1109202070 /nfs/dbraw/zinc/20/20/70/1109202070.db2.gz HWQJDZQZKJTZSK-SFHVURJKSA-N 0 3 332.492 2.938 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)N2CC[C@@H](C3CC3)C2)N(C)C)cc1 ZINC000899101407 1109202128 /nfs/dbraw/zinc/20/21/28/1109202128.db2.gz HSYSGEBJMRJYKD-MJGOQNOKSA-N 0 3 344.503 2.797 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=O)N2CC[C@@H](C3CC3)C2)N(C)C)cc1 ZINC000899101405 1109202246 /nfs/dbraw/zinc/20/22/46/1109202246.db2.gz HSYSGEBJMRJYKD-IEBWSBKVSA-N 0 3 344.503 2.797 20 10 EFCDHN C[C@@H]1CCN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)[C@@H]1C ZINC000899100512 1109207928 /nfs/dbraw/zinc/20/79/28/1109207928.db2.gz AKBPGGORAWEQGV-RKVPGOIHSA-N 0 3 332.492 2.795 20 10 EFCDHN C[C@@H]1CCN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)[C@H]1C ZINC000899100516 1109208326 /nfs/dbraw/zinc/20/83/26/1109208326.db2.gz AKBPGGORAWEQGV-VKJFTORMSA-N 0 3 332.492 2.795 20 10 EFCDHN C[C@@H]1CCN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)[C@@H]1C ZINC000899100510 1109208412 /nfs/dbraw/zinc/20/84/12/1109208412.db2.gz AKBPGGORAWEQGV-IIDMSEBBSA-N 0 3 332.492 2.795 20 10 EFCDHN CC[C@@H]1CCN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC000899100700 1109208558 /nfs/dbraw/zinc/20/85/58/1109208558.db2.gz BUZFNOAXXVZPFN-CRAIPNDOSA-N 0 3 332.492 2.797 20 10 EFCDHN COC(C)(C)CN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ccccc1[O-] ZINC001272618669 1111752503 /nfs/dbraw/zinc/75/25/03/1111752503.db2.gz MDLOTRDUSQJEFM-HXUWFJFHSA-N 0 3 346.471 2.774 20 10 EFCDHN COC(C)(C)CN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ccccc1[O-] ZINC001272618669 1111752508 /nfs/dbraw/zinc/75/25/08/1111752508.db2.gz MDLOTRDUSQJEFM-HXUWFJFHSA-N 0 3 346.471 2.774 20 10 EFCDHN O=C1N(Cc2ccncc2)CC[C@]12CCC[N@H+]2Cc1ccccc1[O-] ZINC001272618442 1111752550 /nfs/dbraw/zinc/75/25/50/1111752550.db2.gz IATWWHMVJKKSBY-HXUWFJFHSA-N 0 3 337.423 2.554 20 10 EFCDHN O=C1N(Cc2ccncc2)CC[C@]12CCC[N@@H+]2Cc1ccccc1[O-] ZINC001272618442 1111752556 /nfs/dbraw/zinc/75/25/56/1111752556.db2.gz IATWWHMVJKKSBY-HXUWFJFHSA-N 0 3 337.423 2.554 20 10 EFCDHN COCCCN1CC[C@]2(CCC[N@H+](Cc3ccccc3[O-])CC2)C1=O ZINC001272619539 1111755345 /nfs/dbraw/zinc/75/53/45/1111755345.db2.gz WSQPMDNNSIXLMI-HXUWFJFHSA-N 0 3 346.471 2.633 20 10 EFCDHN COCCCN1CC[C@]2(CCC[N@@H+](Cc3ccccc3[O-])CC2)C1=O ZINC001272619539 1111755347 /nfs/dbraw/zinc/75/53/47/1111755347.db2.gz WSQPMDNNSIXLMI-HXUWFJFHSA-N 0 3 346.471 2.633 20 10 EFCDHN COc1ccc(C[NH+]2CCC3(C[C@H]3C(=O)NCC(C)C)CC2)c([O-])c1 ZINC001272625307 1111764381 /nfs/dbraw/zinc/76/43/81/1111764381.db2.gz KFOBQABEEMSNMY-KRWDZBQOSA-N 0 3 346.471 2.775 20 10 EFCDHN CC[C@@H](C)NC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(OC)cc1[O-])CC2 ZINC001272625603 1111765901 /nfs/dbraw/zinc/76/59/01/1111765901.db2.gz MWCFSEWULKGQBD-PBHICJAKSA-N 0 3 346.471 2.918 20 10 EFCDHN COc1ccc(CN2CCC[C@]23CCN(CC(C)C)C3=O)c(O)c1 ZINC001272626439 1111767246 /nfs/dbraw/zinc/76/72/46/1111767246.db2.gz XBYFAAKFWBUSDT-LJQANCHMSA-N 0 3 332.444 2.624 20 10 EFCDHN COc1ccc(C[N@@H+]2CCC[C@]23CCN(CC(C)C)C3=O)c([O-])c1 ZINC001272626439 1111767251 /nfs/dbraw/zinc/76/72/51/1111767251.db2.gz XBYFAAKFWBUSDT-LJQANCHMSA-N 0 3 332.444 2.624 20 10 EFCDHN COc1ccc(C[N@H+]2CCC[C@]23CCN(CC(C)C)C3=O)c([O-])c1 ZINC001272626439 1111767255 /nfs/dbraw/zinc/76/72/55/1111767255.db2.gz XBYFAAKFWBUSDT-LJQANCHMSA-N 0 3 332.444 2.624 20 10 EFCDHN CC[C@@H](C)N1CC[C@@]2(CCC[N@@H+]2Cc2ccc(OC)cc2[O-])C1=O ZINC001272625884 1111767278 /nfs/dbraw/zinc/76/72/78/1111767278.db2.gz PLZWIMCGDPPCMY-KUHUBIRLSA-N 0 3 332.444 2.766 20 10 EFCDHN CC[C@@H](C)N1CC[C@@]2(CCC[N@H+]2Cc2ccc(OC)cc2[O-])C1=O ZINC001272625884 1111767285 /nfs/dbraw/zinc/76/72/85/1111767285.db2.gz PLZWIMCGDPPCMY-KUHUBIRLSA-N 0 3 332.444 2.766 20 10 EFCDHN CC[C@@H](C)N1CC[C@@]2(CCCN2Cc2ccc(OC)cc2O)C1=O ZINC001272625884 1111767288 /nfs/dbraw/zinc/76/72/88/1111767288.db2.gz PLZWIMCGDPPCMY-KUHUBIRLSA-N 0 3 332.444 2.766 20 10 EFCDHN COc1ccc(C[N@@H+]2CC[C@]3(CCN(C4CCCC4)C3=O)C2)c([O-])c1 ZINC001272626448 1111767602 /nfs/dbraw/zinc/76/76/02/1111767602.db2.gz XLXCGBHVQDOQRG-FQEVSTJZSA-N 0 3 344.455 2.768 20 10 EFCDHN COc1ccc(C[N@H+]2CC[C@]3(CCN(C4CCCC4)C3=O)C2)c([O-])c1 ZINC001272626448 1111767607 /nfs/dbraw/zinc/76/76/07/1111767607.db2.gz XLXCGBHVQDOQRG-FQEVSTJZSA-N 0 3 344.455 2.768 20 10 EFCDHN COc1ccc(CN2CCC[C@@]23CCN(C2CCCC2)C3=O)c(O)c1 ZINC001272626345 1111768804 /nfs/dbraw/zinc/76/88/04/1111768804.db2.gz WIUBSHGFZAPUKK-FQEVSTJZSA-N 0 3 344.455 2.910 20 10 EFCDHN COc1ccc(C[N@@H+]2CCC[C@@]23CCN(C2CCCC2)C3=O)c([O-])c1 ZINC001272626345 1111768808 /nfs/dbraw/zinc/76/88/08/1111768808.db2.gz WIUBSHGFZAPUKK-FQEVSTJZSA-N 0 3 344.455 2.910 20 10 EFCDHN COc1ccc(C[N@H+]2CCC[C@@]23CCN(C2CCCC2)C3=O)c([O-])c1 ZINC001272626345 1111768811 /nfs/dbraw/zinc/76/88/11/1111768811.db2.gz WIUBSHGFZAPUKK-FQEVSTJZSA-N 0 3 344.455 2.910 20 10 EFCDHN COc1ccc(O)c(CN2CCC[C@@]23CCN(C2CCCC2)C3=O)c1 ZINC001272637218 1111786296 /nfs/dbraw/zinc/78/62/96/1111786296.db2.gz KIUNERHAVDHNFH-FQEVSTJZSA-N 0 3 344.455 2.910 20 10 EFCDHN Cc1ccc(C)n1-c1ccc(-c2noc([C@@H]3CNCCN3C)n2)cc1 ZINC001212224256 1112014511 /nfs/dbraw/zinc/01/45/11/1112014511.db2.gz FGUIMMPAHPBZNW-KRWDZBQOSA-N 0 3 337.427 2.720 20 10 EFCDHN COc1ccc(O)c([C@@H](C)NCC(=O)Nc2ccc(C(C)=O)cc2)c1 ZINC000182451342 1118608729 /nfs/dbraw/zinc/60/87/29/1118608729.db2.gz WLSYGACDAQBIRG-GFCCVEGCSA-N 0 3 342.395 2.893 20 10 EFCDHN C[C@H](NC(=O)NCc1ccc(N2CCCC2)cc1)C1=CCN(C)CC1 ZINC000272689895 299165614 /nfs/dbraw/zinc/16/56/14/299165614.db2.gz CGKNMEQZUVFEON-INIZCTEOSA-N 0 3 342.487 2.736 20 10 EFCDHN Cc1nccn1CCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000163103160 239103216 /nfs/dbraw/zinc/10/32/16/239103216.db2.gz OAAGBFOXEXUPTO-GOSISDBHSA-N 0 3 329.444 2.968 20 10 EFCDHN Cc1nccn1CCC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000163103160 239103220 /nfs/dbraw/zinc/10/32/20/239103220.db2.gz OAAGBFOXEXUPTO-GOSISDBHSA-N 0 3 329.444 2.968 20 10 EFCDHN CN(C)[C@@H]1CCCN(C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000171632870 239153594 /nfs/dbraw/zinc/15/35/94/239153594.db2.gz JAACZHWFJXEURB-GOSISDBHSA-N 0 3 330.476 2.522 20 10 EFCDHN Cc1cc(C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)c(C)n1-c1ccccn1 ZINC000177183941 239363877 /nfs/dbraw/zinc/36/38/77/239363877.db2.gz MSJVUTJOPOCVGY-XJKSGUPXSA-N 0 3 338.455 2.844 20 10 EFCDHN CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000236917835 240235545 /nfs/dbraw/zinc/23/55/45/240235545.db2.gz AJBHXFDOJVJBGK-ZWNOBZJWSA-N 0 3 341.249 2.631 20 10 EFCDHN CCN(Cc1cc(Br)ccc1[O-])C(=O)C1CC[NH2+]CC1 ZINC000236915552 240236310 /nfs/dbraw/zinc/23/63/10/240236310.db2.gz YSUVLZPOJNGJGX-UHFFFAOYSA-N 0 3 341.249 2.503 20 10 EFCDHN CCc1ccc([C@H](CNC(=O)Cc2ccc(N)cc2)N(C)C)cc1 ZINC000236980257 240238859 /nfs/dbraw/zinc/23/88/59/240238859.db2.gz VXIZFQWUYTUXJY-IBGZPJMESA-N 0 3 325.456 2.793 20 10 EFCDHN CN(C)c1ccc(CNC(=O)N2CCC[C@H]3CN(C)CC[C@H]32)cc1F ZINC000246008605 240263355 /nfs/dbraw/zinc/26/33/55/240263355.db2.gz STWBJCOOGUNONK-DOTOQJQBSA-N 0 3 348.466 2.517 20 10 EFCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](O)COc2ccc3c(c2)OCO3)c1 ZINC000273391884 240696802 /nfs/dbraw/zinc/69/68/02/240696802.db2.gz KVJSBXUYQFYXIH-ZIAGYGMSSA-N 0 3 345.395 2.520 20 10 EFCDHN CCOCc1cc(CN[C@H]2COc3ccccc3[C@H]2O)ccc1OC ZINC000288455337 241012432 /nfs/dbraw/zinc/01/24/32/241012432.db2.gz DIYMRRPOPIQFOU-FXAWDEMLSA-N 0 3 343.423 2.816 20 10 EFCDHN COc1cc(O)c(CN2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)cc1OC ZINC000290913863 241023339 /nfs/dbraw/zinc/02/33/39/241023339.db2.gz NHKBCNCTLBJNOL-YJBOKZPZSA-N 0 3 333.428 2.943 20 10 EFCDHN C[C@@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)CCN(C2CCC2)C1 ZINC000291645809 241025801 /nfs/dbraw/zinc/02/58/01/241025801.db2.gz KGDJUSUGMMUKEM-INIZCTEOSA-N 0 3 344.503 2.768 20 10 EFCDHN O=C(c1ccco1)N1CCC([NH2+][C@H]2CCc3cccc([O-])c32)CC1 ZINC000296036698 241071784 /nfs/dbraw/zinc/07/17/84/241071784.db2.gz QJQSJLAKMSYCRY-HNNXBMFYSA-N 0 3 326.396 2.867 20 10 EFCDHN O=S(=O)(CCC[NH2+][C@H]1CCc2cccc([O-])c21)Cc1ccccc1 ZINC000296033907 241071846 /nfs/dbraw/zinc/07/18/46/241071846.db2.gz QHTXJGRNQNIYDP-KRWDZBQOSA-N 0 3 345.464 2.974 20 10 EFCDHN O=C1C[C@@H]([NH2+][C@H]2CCc3cccc([O-])c32)CN1c1ccccc1F ZINC000296636124 241092738 /nfs/dbraw/zinc/09/27/38/241092738.db2.gz BRCZMSYEGRUILJ-HIFRSBDPSA-N 0 3 326.371 2.914 20 10 EFCDHN O=C1C[C@@H]([NH2+][C@@H]2CCc3cccc([O-])c32)CN1c1ccccc1F ZINC000296636128 241092767 /nfs/dbraw/zinc/09/27/67/241092767.db2.gz BRCZMSYEGRUILJ-UKRRQHHQSA-N 0 3 326.371 2.914 20 10 EFCDHN COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)N2Cc2ccc(N(C)C)c(C)c2)O1 ZINC000294307835 241041062 /nfs/dbraw/zinc/04/10/62/241041062.db2.gz XHAHCNZEMULSNW-OAOYMFHYSA-N 0 3 346.471 2.744 20 10 EFCDHN COc1ccc(OC)c([C@H](O)C[NH2+][C@H]2CCc3cccc([O-])c32)c1 ZINC000295776050 241062191 /nfs/dbraw/zinc/06/21/91/241062191.db2.gz APXGLVRPHFAVMJ-DOTOQJQBSA-N 0 3 329.396 2.720 20 10 EFCDHN COC[C@H](CCO)NCc1ccc(N(C)Cc2cccs2)cc1 ZINC000295770256 241062352 /nfs/dbraw/zinc/06/23/52/241062352.db2.gz QVISUKWDHCQQTN-INIZCTEOSA-N 0 3 334.485 2.872 20 10 EFCDHN O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccc(O)c1[O-] ZINC000311213637 241204135 /nfs/dbraw/zinc/20/41/35/241204135.db2.gz QJYNYYDRBMJNIA-MRXNPFEDSA-N 0 3 340.423 2.740 20 10 EFCDHN O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccc(O)c1[O-] ZINC000311213637 241204138 /nfs/dbraw/zinc/20/41/38/241204138.db2.gz QJYNYYDRBMJNIA-MRXNPFEDSA-N 0 3 340.423 2.740 20 10 EFCDHN Oc1cccc2c1[C@@H](NCc1ccncc1OC[C@H]1CCOC1)CC2 ZINC000297473581 241122996 /nfs/dbraw/zinc/12/29/96/241122996.db2.gz YSOHPKMGAQHQRM-YOEHRIQHSA-N 0 3 340.423 2.980 20 10 EFCDHN Cc1cccc(C[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@@H]3c3ccccc3)C2)c1[O-] ZINC000362042069 242240970 /nfs/dbraw/zinc/24/09/70/242240970.db2.gz SYZGMLOCHJASPA-GUDVDZBRSA-N 0 3 336.435 2.947 20 10 EFCDHN Cc1cccc(CN[C@@H]2CC(=O)N([C@@H]3C[C@@H]3c3ccccc3)C2)c1O ZINC000362042069 242240976 /nfs/dbraw/zinc/24/09/76/242240976.db2.gz SYZGMLOCHJASPA-GUDVDZBRSA-N 0 3 336.435 2.947 20 10 EFCDHN CN(C)c1ccc(CN2CCC[C@@H](C(=O)Nc3ccccn3)C2)cc1 ZINC000367226768 242376767 /nfs/dbraw/zinc/37/67/67/242376767.db2.gz PVOFJVCVHCPETK-QGZVFWFLSA-N 0 3 338.455 2.998 20 10 EFCDHN C[C@@H]([NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1)c1ccc(F)cc1[O-] ZINC000186126942 296115059 /nfs/dbraw/zinc/11/50/59/296115059.db2.gz KERDXXXBYMGVTB-BVGQSLNGSA-N 0 3 336.451 2.950 20 10 EFCDHN O[C@@H](CNCc1ccc(N2CCOCC2)cc1)c1ccc(F)c(F)c1 ZINC000071819550 203118376 /nfs/dbraw/zinc/11/83/76/203118376.db2.gz OQECKOLILUDQGT-IBGZPJMESA-N 0 3 348.393 2.625 20 10 EFCDHN O[C@H](CNCc1ccc(N2CCOCC2)cc1)c1ccc(F)c(F)c1 ZINC000071819551 203118886 /nfs/dbraw/zinc/11/88/86/203118886.db2.gz OQECKOLILUDQGT-LJQANCHMSA-N 0 3 348.393 2.625 20 10 EFCDHN CCOc1cccc(C[NH2+]C2CCN(CC(F)(F)F)CC2)c1[O-] ZINC000263733757 535457212 /nfs/dbraw/zinc/45/72/12/535457212.db2.gz YPRKCXREPULCMI-UHFFFAOYSA-N 0 3 332.366 2.907 20 10 EFCDHN COc1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)cc1 ZINC000005097651 286286441 /nfs/dbraw/zinc/28/64/41/286286441.db2.gz VSUILZIMXLRPFM-IBGZPJMESA-N 0 3 341.455 2.794 20 10 biogenic EFCDHN C[C@@H](NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(F)c(F)c1[O-] ZINC000187726575 287013621 /nfs/dbraw/zinc/01/36/21/287013621.db2.gz JFCASLRJTNCXJC-OLZOCXBDSA-N 0 3 340.414 2.822 20 10 EFCDHN C[C@H](CN1CCCCC1)NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000153508805 544734603 /nfs/dbraw/zinc/73/46/03/544734603.db2.gz DFPVCQMOGYUFSZ-QGZVFWFLSA-N 0 3 342.487 2.736 20 10 EFCDHN O=C(c1ccco1)N1CCC([NH2+][C@@H]2CCc3cccc([O-])c32)CC1 ZINC000296036701 275014285 /nfs/dbraw/zinc/01/42/85/275014285.db2.gz QJQSJLAKMSYCRY-OAHLLOKOSA-N 0 3 326.396 2.867 20 10 EFCDHN C[C@@H](C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-])CN1CCN(C)CC1 ZINC000185343652 473399783 /nfs/dbraw/zinc/39/97/83/473399783.db2.gz MBZPCXTXBGMPQL-KBPBESRZSA-N 0 3 325.884 2.580 20 10 EFCDHN CC(C)C(=O)NC[C@@H]1CCCN(Cc2ccc(N(C)C)c(F)c2)C1 ZINC000124128529 473213955 /nfs/dbraw/zinc/21/39/55/473213955.db2.gz KHMIZZSQPLPSBB-INIZCTEOSA-N 0 3 335.467 2.876 20 10 EFCDHN Cc1ccc([C@H](C)NCc2ccccc2S(=O)(=O)N(C)C)c(O)c1 ZINC000184964888 473285208 /nfs/dbraw/zinc/28/52/08/473285208.db2.gz YCSPFVJPMOVVBJ-AWEZNQCLSA-N 0 3 348.468 2.802 20 10 EFCDHN C[C@@H]([NH2+]Cc1ccc(N2CCN(C)CC2)nc1)c1ccc(F)cc1[O-] ZINC000184968498 473287555 /nfs/dbraw/zinc/28/75/55/473287555.db2.gz NFHNPIGTGQOORR-CQSZACIVSA-N 0 3 344.434 2.529 20 10 EFCDHN CC(C)[C@@H](C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-])N1CCN(C)CC1 ZINC000184976944 473288327 /nfs/dbraw/zinc/28/83/27/473288327.db2.gz MSDMICLADWHTOF-WMLDXEAASA-N 0 3 339.911 2.968 20 10 EFCDHN C[C@H]([NH2+]C[C@@H](O)CN1CCc2ccccc2C1)c1cc(F)ccc1[O-] ZINC000184992444 473294935 /nfs/dbraw/zinc/29/49/35/473294935.db2.gz HBVGQGUEKZVTIW-KBXCAEBGSA-N 0 3 344.430 2.601 20 10 EFCDHN COCCN(C)CCC[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000185008904 473299352 /nfs/dbraw/zinc/29/93/52/473299352.db2.gz QNVICFWLGQLYFG-LBPRGKRZSA-N 0 3 345.281 2.774 20 10 EFCDHN COCCN(C)CCC[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000185008923 473300581 /nfs/dbraw/zinc/30/05/81/473300581.db2.gz QNVICFWLGQLYFG-GFCCVEGCSA-N 0 3 345.281 2.774 20 10 EFCDHN CCN1CCN(CCC[NH2+][C@H](C)c2cc(Cl)ccc2[O-])CC1 ZINC000185013714 473301172 /nfs/dbraw/zinc/30/11/72/473301172.db2.gz RUOMHXBUSLBMGN-CQSZACIVSA-N 0 3 325.884 2.724 20 10 EFCDHN C[C@@H]([NH2+]Cc1cccnc1N1CCN(C)CC1)c1ccc(F)cc1[O-] ZINC000185165816 473349689 /nfs/dbraw/zinc/34/96/89/473349689.db2.gz WIRZVELEXRRZPV-CQSZACIVSA-N 0 3 344.434 2.529 20 10 EFCDHN CCN(CC)c1ccc(CNC(=O)N(C)CCN(C)C2CC2)cc1 ZINC000185195404 473358686 /nfs/dbraw/zinc/35/86/86/473358686.db2.gz ILYNVYKYVQLNLY-UHFFFAOYSA-N 0 3 332.492 2.768 20 10 EFCDHN Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000349606757 475978459 /nfs/dbraw/zinc/97/84/59/475978459.db2.gz BPIGDOKDWJFFDN-SUMWQHHRSA-N 0 3 340.471 2.769 20 10 EFCDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000085391983 472242439 /nfs/dbraw/zinc/24/24/39/472242439.db2.gz RMRJLVAJHPCCCU-APWZRJJASA-N 0 3 344.503 2.768 20 10 EFCDHN CN(Cc1ccc(N2CCOCC2)cc1)C[C@H](O)c1ccccc1F ZINC000076549227 472365658 /nfs/dbraw/zinc/36/56/58/472365658.db2.gz LQRAHAQTIRYEIG-FQEVSTJZSA-N 0 3 344.430 2.828 20 10 EFCDHN CN(C)c1ccc(CNC(=O)NC[C@H](c2ccccc2)N(C)C)cc1 ZINC000031726727 472390675 /nfs/dbraw/zinc/39/06/75/472390675.db2.gz NZILPBDNKBNYBX-LJQANCHMSA-N 0 3 340.471 2.855 20 10 EFCDHN CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@@H](C)c2ccccc2[O-])c1 ZINC000154158319 472395849 /nfs/dbraw/zinc/39/58/49/472395849.db2.gz RIIZTITVZZQTHJ-OLZOCXBDSA-N 0 3 334.441 2.712 20 10 EFCDHN CC[C@@H](N[C@@H]1CCN(CC(F)(F)F)C1=O)c1ccc(N(C)C)cc1 ZINC000089619063 472470117 /nfs/dbraw/zinc/47/01/17/472470117.db2.gz CAEADYMUJYJSGV-HUUCEWRRSA-N 0 3 343.393 2.957 20 10 EFCDHN CCN(C)c1ccc([C@@H](C)NCc2cccc(OCC(N)=O)c2)cc1 ZINC000128800132 472497997 /nfs/dbraw/zinc/49/79/97/472497997.db2.gz MVZQSLGXKZFBNM-OAHLLOKOSA-N 0 3 341.455 2.858 20 10 EFCDHN C[C@@H]([NH2+]CCCNC(=O)c1cccc([O-])c1)c1ccc(N(C)C)cc1 ZINC000155044574 472500521 /nfs/dbraw/zinc/50/05/21/472500521.db2.gz LYHQSLGFIZZLCS-OAHLLOKOSA-N 0 3 341.455 2.929 20 10 EFCDHN CCN(CCNC(=O)c1cc(C)n(-c2ccccn2)c1C)C1CC1 ZINC000101957500 472558254 /nfs/dbraw/zinc/55/82/54/472558254.db2.gz XMWMXFPZAPVTIR-UHFFFAOYSA-N 0 3 326.444 2.703 20 10 EFCDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000129881914 472570646 /nfs/dbraw/zinc/57/06/46/472570646.db2.gz FPLLZXXWBVFYEF-WBVHZDCISA-N 0 3 344.503 2.909 20 10 EFCDHN CC[C@@H](C)NC(=O)[C@H](C)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000102416420 472577700 /nfs/dbraw/zinc/57/77/00/472577700.db2.gz QZDNGICMRJPJIX-CABCVRRESA-N 0 3 333.476 2.557 20 10 EFCDHN C[N@@H+]1CCCC[C@@H]1CN1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000120052630 472622510 /nfs/dbraw/zinc/62/25/10/472622510.db2.gz MABZQGGHFOZMLO-OAHLLOKOSA-N 0 3 337.895 2.648 20 10 EFCDHN C[N@H+]1CCCC[C@@H]1CN1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000120052630 472622513 /nfs/dbraw/zinc/62/25/13/472622513.db2.gz MABZQGGHFOZMLO-OAHLLOKOSA-N 0 3 337.895 2.648 20 10 EFCDHN CCCN(Cc1ccccc1O)C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000130717072 472623775 /nfs/dbraw/zinc/62/37/75/472623775.db2.gz HHBTYRNMNCCZNF-GDBMZVCRSA-N 0 3 331.460 2.939 20 10 EFCDHN Cc1cc(Br)cc(CN(C)[C@@H](C)C[S@](C)=O)c1O ZINC000130907200 472634081 /nfs/dbraw/zinc/63/40/81/472634081.db2.gz XEQZCMOFEFGVLG-XTZNXHDOSA-N 0 3 334.279 2.662 20 10 EFCDHN C[C@H]1OCC[C@H]1NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000120284791 472662970 /nfs/dbraw/zinc/66/29/70/472662970.db2.gz OOFMILCUIAWKIZ-MLGOLLRUSA-N 0 3 344.377 2.809 20 10 EFCDHN CC[C@H]([NH2+]CCNC(=O)c1ccc(OC)cc1)c1ccccc1[O-] ZINC000156456630 472710722 /nfs/dbraw/zinc/71/07/22/472710722.db2.gz ALCMECHKEAYXLV-KRWDZBQOSA-N 0 3 328.412 2.872 20 10 EFCDHN CCC[N@H+](Cc1ccccc1[O-])[C@H](C)C(=O)NC(=O)NC(C)(C)C ZINC000157068231 472782596 /nfs/dbraw/zinc/78/25/96/472782596.db2.gz QRKYYLKOMOAWGU-CYBMUJFWSA-N 0 3 335.448 2.617 20 10 EFCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@H](C)C(=O)NC(=O)NC(C)(C)C ZINC000157068231 472782600 /nfs/dbraw/zinc/78/26/00/472782600.db2.gz QRKYYLKOMOAWGU-CYBMUJFWSA-N 0 3 335.448 2.617 20 10 EFCDHN CNC(=O)c1ccc(CN(C)Cc2ccc(N(C)C)c(F)c2)cc1 ZINC000121154428 472807215 /nfs/dbraw/zinc/80/72/15/472807215.db2.gz LBMPIGCCZSXMAB-UHFFFAOYSA-N 0 3 329.419 2.883 20 10 EFCDHN CN(C)Cc1cccc(CNC(=O)N(C)Cc2ccccc2O)c1 ZINC000079451526 472866881 /nfs/dbraw/zinc/86/68/81/472866881.db2.gz CGUNPXNXHPRVSZ-UHFFFAOYSA-N 0 3 327.428 2.795 20 10 EFCDHN CCOc1cccc(C[N@@H+]2CCC[C@H](CNC(=O)C(C)C)C2)c1[O-] ZINC000092706211 472967757 /nfs/dbraw/zinc/96/77/57/472967757.db2.gz FVOYDUHHZDRHIW-OAHLLOKOSA-N 0 3 334.460 2.775 20 10 EFCDHN CCOc1cccc(C[N@H+]2CCC[C@H](CNC(=O)C(C)C)C2)c1[O-] ZINC000092706211 472967762 /nfs/dbraw/zinc/96/77/62/472967762.db2.gz FVOYDUHHZDRHIW-OAHLLOKOSA-N 0 3 334.460 2.775 20 10 EFCDHN CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2cc(OCC)ccc2[O-])C1 ZINC000092707940 472968859 /nfs/dbraw/zinc/96/88/59/472968859.db2.gz TUKMLPFHKGLJLP-HNNXBMFYSA-N 0 3 334.460 2.919 20 10 EFCDHN CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2cc(OCC)ccc2[O-])C1 ZINC000092707940 472968864 /nfs/dbraw/zinc/96/88/64/472968864.db2.gz TUKMLPFHKGLJLP-HNNXBMFYSA-N 0 3 334.460 2.919 20 10 EFCDHN CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2cccc(OCC)c2[O-])C1 ZINC000092707674 472969106 /nfs/dbraw/zinc/96/91/06/472969106.db2.gz ANGJACLMADGVJR-HNNXBMFYSA-N 0 3 334.460 2.919 20 10 EFCDHN CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccc(OCC)c2[O-])C1 ZINC000092707674 472969113 /nfs/dbraw/zinc/96/91/13/472969113.db2.gz ANGJACLMADGVJR-HNNXBMFYSA-N 0 3 334.460 2.919 20 10 EFCDHN COc1ccc(N2CCN(C[C@H](O)Cc3ccccc3)CC2)cc1F ZINC000122076809 472973351 /nfs/dbraw/zinc/97/33/51/472973351.db2.gz FVULYEDOWRFHNE-GOSISDBHSA-N 0 3 344.430 2.560 20 10 EFCDHN CCOc1ccc(O)c(CN(C)[C@@H](CO)c2ccc(OC)cc2)c1 ZINC000093415747 473105950 /nfs/dbraw/zinc/10/59/50/473105950.db2.gz PRYGOWIBTYYEPK-SFHVURJKSA-N 0 3 331.412 2.965 20 10 EFCDHN c1cc(N2CCCCC2)ccc1CN1CCN(C[C@H]2CCOC2)CC1 ZINC000093817391 473148640 /nfs/dbraw/zinc/14/86/40/473148640.db2.gz JDHFAEYXVIYXEH-HXUWFJFHSA-N 0 3 343.515 2.831 20 10 EFCDHN CN(Cc1ccc(N2CCOCC2)cc1)[C@@H]1CCCc2c1cnn2C ZINC000093863959 473152757 /nfs/dbraw/zinc/15/27/57/473152757.db2.gz VJCXSNOOJJIMBP-LJQANCHMSA-N 0 3 340.471 2.766 20 10 EFCDHN CCc1nsc(N2CCCN(Cc3ccc(N(C)C)cc3)CC2)n1 ZINC000093871432 473157422 /nfs/dbraw/zinc/15/74/22/473157422.db2.gz KVDSWPCWHNEVNO-UHFFFAOYSA-N 0 3 345.516 2.879 20 10 EFCDHN [O-]c1cccc(Cl)c1CNC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000136578989 473164357 /nfs/dbraw/zinc/16/43/57/473164357.db2.gz MJXWVFQMCREFFF-WMZOPIPTSA-N 0 3 338.879 2.903 20 10 EFCDHN [O-]c1cccc(Cl)c1C[NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1 ZINC000136578989 473164363 /nfs/dbraw/zinc/16/43/63/473164363.db2.gz MJXWVFQMCREFFF-WMZOPIPTSA-N 0 3 338.879 2.903 20 10 EFCDHN [O-]c1cccc(Cl)c1CNC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000136579080 473165681 /nfs/dbraw/zinc/16/56/81/473165681.db2.gz MJXWVFQMCREFFF-FUHWJXTLSA-N 0 3 338.879 2.903 20 10 EFCDHN [O-]c1cccc(Cl)c1C[NH2+]C1CCN([C@H]2CCCC[C@H]2O)CC1 ZINC000136579080 473165685 /nfs/dbraw/zinc/16/56/85/473165685.db2.gz MJXWVFQMCREFFF-FUHWJXTLSA-N 0 3 338.879 2.903 20 10 EFCDHN CC1CCN(c2ccc(CNC(=O)C3CCN(C)CC3)cc2)CC1 ZINC000081366286 473191901 /nfs/dbraw/zinc/19/19/01/473191901.db2.gz UWPUNFPZVNRQRV-UHFFFAOYSA-N 0 3 329.488 2.881 20 10 EFCDHN C[C@H](C[NH2+][C@H](C)c1cc2c(cc1[O-])CCCC2)CN1CCN(C)CC1 ZINC000185344265 473399077 /nfs/dbraw/zinc/39/90/77/473399077.db2.gz DJXJXAFNGUUZPE-IAGOWNOFSA-N 0 3 345.531 2.805 20 10 EFCDHN C[C@@H]([NH2+]C[C@H](C)CN1CCN(C)CC1)c1cc(Cl)ccc1[O-] ZINC000185343687 473399221 /nfs/dbraw/zinc/39/92/21/473399221.db2.gz MBZPCXTXBGMPQL-UONOGXRCSA-N 0 3 325.884 2.580 20 10 EFCDHN C[C@H](NCc1cccnc1N1CCOCC1)c1ccc(N(C)C)cc1 ZINC000151237198 473430479 /nfs/dbraw/zinc/43/04/79/473430479.db2.gz RNEPNYSXVYSQIK-INIZCTEOSA-N 0 3 340.471 2.835 20 10 EFCDHN COc1ccc([O-])c([C@H](C)[NH2+]CCc2cccc(C(=O)N(C)C)c2)c1 ZINC000185547240 473453451 /nfs/dbraw/zinc/45/34/51/473453451.db2.gz JWSKIYGXOOXNKW-AWEZNQCLSA-N 0 3 342.439 2.996 20 10 EFCDHN C[C@H]([NH2+]Cc1ccccc1CS(C)(=O)=O)c1cc(F)ccc1[O-] ZINC000185650254 473478013 /nfs/dbraw/zinc/47/80/13/473478013.db2.gz LUMNZYMQTQKNAE-LBPRGKRZSA-N 0 3 337.416 2.927 20 10 EFCDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCN(c3ncccc3F)C2)c1 ZINC000185686811 473488923 /nfs/dbraw/zinc/48/89/23/473488923.db2.gz GBJYBAIOXGQRRP-CHWSQXEVSA-N 0 3 331.391 2.864 20 10 EFCDHN COc1ccc(C(=O)NCC[NH2+][C@@H](C)c2ccc(C)cc2[O-])cc1 ZINC000185953314 473557566 /nfs/dbraw/zinc/55/75/66/473557566.db2.gz HKNBVLCPXOHOPN-AWEZNQCLSA-N 0 3 328.412 2.790 20 10 EFCDHN CCN1CCCC[C@H]1CNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000126929390 473560160 /nfs/dbraw/zinc/56/01/60/473560160.db2.gz RKIWLTLROJCYND-IBGZPJMESA-N 0 3 342.487 2.736 20 10 EFCDHN CCn1nccc1N1CCC[C@@H](NCc2cc(C)c(C)cc2O)C1=O ZINC000191643221 473563980 /nfs/dbraw/zinc/56/39/80/473563980.db2.gz UBGURZWXBZNGEN-MRXNPFEDSA-N 0 3 342.443 2.511 20 10 EFCDHN C[C@H](C(=O)N1CCOc2cc(N(C)C)ccc21)[C@H](N)c1ccccc1 ZINC000178863253 473579780 /nfs/dbraw/zinc/57/97/80/473579780.db2.gz ZZDUFMDUFICLPV-LIRRHRJNSA-N 0 3 339.439 2.814 20 10 EFCDHN COc1ccc([O-])c([C@H](C)[NH2+]CCCNC(=O)c2occc2C)c1 ZINC000186068217 473584139 /nfs/dbraw/zinc/58/41/39/473584139.db2.gz LUJDTUOIYGTWIC-ZDUSSCGKSA-N 0 3 332.400 2.773 20 10 EFCDHN C[C@@H]([NH2+][C@H]1CCCN(CC(F)(F)F)C1=O)c1cc(F)ccc1[O-] ZINC000186144752 473599789 /nfs/dbraw/zinc/59/97/89/473599789.db2.gz HRVULQDTYMUXDU-SKDRFNHKSA-N 0 3 334.313 2.735 20 10 EFCDHN C[C@H]1C[C@@H](NC(=O)N(C)Cc2ccc(N(C)C)cc2)CN1C1CC1 ZINC000127330294 473600384 /nfs/dbraw/zinc/60/03/84/473600384.db2.gz UAPZWUMYSWZKRW-GOEBONIOSA-N 0 3 330.476 2.519 20 10 EFCDHN O=C(Cc1cccc(F)c1)N1CCC[N@@H+](Cc2ccccc2[O-])CC1 ZINC000179563863 473695203 /nfs/dbraw/zinc/69/52/03/473695203.db2.gz LWQOGYCVGHNKFY-UHFFFAOYSA-N 0 3 342.414 2.808 20 10 EFCDHN O=C(Cc1cccc(F)c1)N1CCC[N@H+](Cc2ccccc2[O-])CC1 ZINC000179563863 473695204 /nfs/dbraw/zinc/69/52/04/473695204.db2.gz LWQOGYCVGHNKFY-UHFFFAOYSA-N 0 3 342.414 2.808 20 10 EFCDHN C[C@H](CCN1CCN(C)CC1)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000186592525 473695856 /nfs/dbraw/zinc/69/58/56/473695856.db2.gz BPLQPCRVHXULMJ-KGLIPLIRSA-N 0 3 325.884 2.722 20 10 EFCDHN C[C@H]([NH2+]CCCN1CCN(C)CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000192618894 473696914 /nfs/dbraw/zinc/69/69/14/473696914.db2.gz MISARNPRMYGUJK-LBPRGKRZSA-N 0 3 346.302 2.987 20 10 EFCDHN CN(Cc1ccc(N2CCOCC2)cc1)Cc1cccc2nccn21 ZINC000179616994 473698371 /nfs/dbraw/zinc/69/83/71/473698371.db2.gz ACWDVWBTEPXZEX-UHFFFAOYSA-N 0 3 336.439 2.803 20 10 EFCDHN C[N@@H+](Cc1ccccc1N1CCOCC1)Cc1cc(F)ccc1[O-] ZINC000179890840 473749955 /nfs/dbraw/zinc/74/99/55/473749955.db2.gz JTMCZGULZJIUEN-UHFFFAOYSA-N 0 3 330.403 3.000 20 10 EFCDHN C[N@H+](Cc1ccccc1N1CCOCC1)Cc1cc(F)ccc1[O-] ZINC000179890840 473749958 /nfs/dbraw/zinc/74/99/58/473749958.db2.gz JTMCZGULZJIUEN-UHFFFAOYSA-N 0 3 330.403 3.000 20 10 EFCDHN COc1ccc([O-])c(C[N@@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC000179926771 473756777 /nfs/dbraw/zinc/75/67/77/473756777.db2.gz BTWWEGANKLVVJC-ZDUSSCGKSA-N 0 3 336.432 2.747 20 10 EFCDHN COc1ccc([O-])c(C[N@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC000179926771 473756784 /nfs/dbraw/zinc/75/67/84/473756784.db2.gz BTWWEGANKLVVJC-ZDUSSCGKSA-N 0 3 336.432 2.747 20 10 EFCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CCNC(=O)C2CC2)c1[O-] ZINC000186926225 473783339 /nfs/dbraw/zinc/78/33/39/473783339.db2.gz XEXIIRYXAHFTMD-SNVBAGLBSA-N 0 3 341.249 2.640 20 10 EFCDHN CCN(Cc1ccc(OCc2ccccc2)cc1O)[C@H]1CCNC1=O ZINC000281648741 473793895 /nfs/dbraw/zinc/79/38/95/473793895.db2.gz BIDFHWCTGCOIBF-SFHVURJKSA-N 0 3 340.423 2.682 20 10 EFCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCCCNC2=O)c1[O-] ZINC000186985287 473795458 /nfs/dbraw/zinc/79/54/58/473795458.db2.gz MCHSXIDGXHTMMV-GWCFXTLKSA-N 0 3 341.249 2.782 20 10 EFCDHN COCC[C@](C)(O)C[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-] ZINC000187214930 473839009 /nfs/dbraw/zinc/83/90/09/473839009.db2.gz VKARHEOVAKHWGL-NHYWBVRUSA-N 0 3 346.265 2.901 20 10 EFCDHN COCC[C@@](C)(O)C[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-] ZINC000187214893 473838948 /nfs/dbraw/zinc/83/89/48/473838948.db2.gz VKARHEOVAKHWGL-XHDPSFHLSA-N 0 3 346.265 2.901 20 10 EFCDHN C[S@](=O)C1(C[NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])CC1 ZINC000281866890 473865274 /nfs/dbraw/zinc/86/52/74/473865274.db2.gz VXULIDUUERVOGA-DEOSSOPVSA-N 0 3 345.464 2.972 20 10 EFCDHN COC[C@@H](O)CC[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-] ZINC000187412662 473869102 /nfs/dbraw/zinc/86/91/02/473869102.db2.gz GHHFHCZUIRRHCF-PWSUYJOCSA-N 0 3 332.238 2.511 20 10 EFCDHN C[C@H](CNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)N(C)C1CC1 ZINC000264281084 473959364 /nfs/dbraw/zinc/95/93/64/473959364.db2.gz JRXUHXZSVVWGKE-OAHLLOKOSA-N 0 3 344.503 2.909 20 10 EFCDHN Cn1c(-c2ccccc2)cnc1SCCCN1CCN(C)CC1 ZINC000181312795 474026346 /nfs/dbraw/zinc/02/63/46/474026346.db2.gz RBLDCQSYRVSMHY-UHFFFAOYSA-N 0 3 330.501 2.817 20 10 EFCDHN C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1cc(Cl)ccc1[O-] ZINC000282507622 474090985 /nfs/dbraw/zinc/09/09/85/474090985.db2.gz YOXMATNNFPABKY-ZDUSSCGKSA-N 0 3 325.884 2.722 20 10 EFCDHN CN(C)c1ccc(CNCc2ccnc(OC3CCOCC3)c2)cc1 ZINC000264933566 474161779 /nfs/dbraw/zinc/16/17/79/474161779.db2.gz BXORGSPVSLNZJI-UHFFFAOYSA-N 0 3 341.455 2.995 20 10 EFCDHN [O-]c1ccccc1C[N@H+](CCCN1CCOCC1)Cc1ccncc1 ZINC000289145450 474162448 /nfs/dbraw/zinc/16/24/48/474162448.db2.gz AOYFXOYSFFYEPD-UHFFFAOYSA-N 0 3 341.455 2.512 20 10 EFCDHN [O-]c1ccccc1C[N@@H+](CCCN1CCOCC1)Cc1ccncc1 ZINC000289145450 474162454 /nfs/dbraw/zinc/16/24/54/474162454.db2.gz AOYFXOYSFFYEPD-UHFFFAOYSA-N 0 3 341.455 2.512 20 10 EFCDHN COc1ccc(O)c([C@@H](C)N[C@@H]2CCCN(CC(F)(F)F)C2=O)c1 ZINC000182441176 474176715 /nfs/dbraw/zinc/17/67/15/474176715.db2.gz AOITUAFYWUDRQE-ZWNOBZJWSA-N 0 3 346.349 2.605 20 10 EFCDHN COc1ccc(O)c([C@H](C)NCC(=O)N2CCc3sccc3C2)c1 ZINC000182457853 474181817 /nfs/dbraw/zinc/18/18/17/474181817.db2.gz MIMODAWIYGKLTD-LBPRGKRZSA-N 0 3 346.452 2.698 20 10 EFCDHN COCCO[C@@H]1CCN(Cc2cc(Br)cc(C)c2O)C1 ZINC000188824603 474208535 /nfs/dbraw/zinc/20/85/35/474208535.db2.gz CWJZUMLUTHXVOU-CQSZACIVSA-N 0 3 344.249 2.700 20 10 EFCDHN Cc1cccc(CN[C@@H]2CC(=O)N(c3c(F)cccc3F)C2)c1O ZINC000182679730 474231024 /nfs/dbraw/zinc/23/10/24/474231024.db2.gz XKJIELVLNODEKG-CYBMUJFWSA-N 0 3 332.350 2.874 20 10 EFCDHN Cc1cccc(C[NH2+][C@@H]2CC(=O)N(c3c(F)cccc3F)C2)c1[O-] ZINC000182679730 474231029 /nfs/dbraw/zinc/23/10/29/474231029.db2.gz XKJIELVLNODEKG-CYBMUJFWSA-N 0 3 332.350 2.874 20 10 EFCDHN CCO[C@H]1C[C@](CO)([NH2+]Cc2cc(Cl)cc(OC)c2[O-])C1(C)C ZINC000188902771 474231022 /nfs/dbraw/zinc/23/10/22/474231022.db2.gz GVSILTIGFTZQFU-WMLDXEAASA-N 0 3 343.851 2.710 20 10 EFCDHN CCCOc1ccc(C[NH2+][C@H]2CCCO[C@@H]2c2cnn(C)c2)c([O-])c1 ZINC000275584232 474244180 /nfs/dbraw/zinc/24/41/80/474244180.db2.gz PGDPCFMXERJTDQ-PKOBYXMFSA-N 0 3 345.443 2.924 20 10 EFCDHN [O-]c1ccc(Br)cc1C[NH2+][C@@H]1CCN2CCCC[C@@H]12 ZINC000227437681 474245748 /nfs/dbraw/zinc/24/57/48/474245748.db2.gz WXMSVDHVYPTOFA-KGLIPLIRSA-N 0 3 325.250 2.871 20 10 EFCDHN CCNC(=O)OC[C@@H]1CCCCN1Cc1cccc(OCC)c1O ZINC000289400606 474255829 /nfs/dbraw/zinc/25/58/29/474255829.db2.gz OPCXHLQCYRBUAT-HNNXBMFYSA-N 0 3 336.432 2.892 20 10 EFCDHN Cc1cc(CNCc2cc3c(cc2O)OCO3)cc(N2CCCC2)n1 ZINC000289422036 474264443 /nfs/dbraw/zinc/26/44/43/474264443.db2.gz BQTAMQQOSIDKDF-UHFFFAOYSA-N 0 3 341.411 2.714 20 10 EFCDHN C[C@H]1C[C@@H](N2CCOCC2)CN1Cc1ccc(N2CCCCC2)cc1 ZINC000289591410 474336387 /nfs/dbraw/zinc/33/63/87/474336387.db2.gz KLSSOHRVOAKAAG-GHTZIAJQSA-N 0 3 343.515 2.972 20 10 EFCDHN COc1cccc(CN(Cc2ccc(C(N)=O)cc2)C2CC2)c1O ZINC000271105221 474401562 /nfs/dbraw/zinc/40/15/62/474401562.db2.gz RGOTYYYAAKQIGI-UHFFFAOYSA-N 0 3 326.396 2.664 20 10 EFCDHN CCOc1cccc(CN2CC[C@](C(=O)OC)(C(F)(F)F)C2)c1O ZINC000289774847 474421360 /nfs/dbraw/zinc/42/13/60/474421360.db2.gz RLMGHKZQJIRYAW-HNNXBMFYSA-N 0 3 347.333 2.718 20 10 EFCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C(C)(C)C)c1[O-] ZINC000289840757 474450359 /nfs/dbraw/zinc/45/03/59/474450359.db2.gz PJGYIDHZXRMUGN-MLGOLLRUSA-N 0 3 340.851 2.837 20 10 EFCDHN COc1ccc(O)c(CN[C@H]2CCCN(C3CCCCC3)C2=O)c1 ZINC000276713373 474569181 /nfs/dbraw/zinc/56/91/81/474569181.db2.gz GYFXILBFJKTCPS-KRWDZBQOSA-N 0 3 332.444 2.814 20 10 EFCDHN [O-]c1ccc(F)cc1C[NH2+][C@@H]1CN(Cc2ccccc2)CC[C@H]1CO ZINC000290390689 474570165 /nfs/dbraw/zinc/57/01/65/474570165.db2.gz ITZVPTIHHAUIKR-QFBILLFUSA-N 0 3 344.430 2.504 20 10 EFCDHN Cc1cccc(C[N@@H+](C)C[C@]2(O)CCN(Cc3ccccc3)C2)c1[O-] ZINC000190310288 474576026 /nfs/dbraw/zinc/57/60/26/474576026.db2.gz HDXAGJTWFLHYGC-OAQYLSRUSA-N 0 3 340.467 2.769 20 10 EFCDHN Cc1cccc(C[N@H+](C)C[C@]2(O)CCN(Cc3ccccc3)C2)c1[O-] ZINC000190310288 474576029 /nfs/dbraw/zinc/57/60/29/474576029.db2.gz HDXAGJTWFLHYGC-OAQYLSRUSA-N 0 3 340.467 2.769 20 10 EFCDHN C[C@@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CCO1)c1ccccc1[O-] ZINC000271649448 474583117 /nfs/dbraw/zinc/58/31/17/474583117.db2.gz IRVJINZAUBTCEB-SJLPKXTDSA-N 0 3 326.440 2.944 20 10 EFCDHN CCNC(=O)C1(CNCc2ccc(OC)c(COCC)c2)CCC1 ZINC000277390506 474584271 /nfs/dbraw/zinc/58/42/71/474584271.db2.gz JKUFWUYRKCYODD-UHFFFAOYSA-N 0 3 334.460 2.628 20 10 EFCDHN COc1cc([O-])c(C[NH2+][C@@H]2COc3c(C)cccc3C2)cc1OC ZINC000291000858 474589976 /nfs/dbraw/zinc/58/99/76/474589976.db2.gz VYHPWKBVSFVYFJ-HNNXBMFYSA-N 0 3 329.396 2.811 20 10 EFCDHN COc1ccc(O)c([C@@H](C)N[C@@H]2CC(=O)N(c3ccccc3F)C2)c1 ZINC000291132295 474594928 /nfs/dbraw/zinc/59/49/28/474594928.db2.gz FALJGGUYBRQCNZ-CHWSQXEVSA-N 0 3 344.386 2.996 20 10 EFCDHN CCOc1ccc([O-])c(C[N@@H+]2CCC[C@H](Cc3nccn3C)C2)c1 ZINC000184730785 474596635 /nfs/dbraw/zinc/59/66/35/474596635.db2.gz KOAIGJIPJFBSRR-OAHLLOKOSA-N 0 3 329.444 2.979 20 10 EFCDHN CCOc1ccc([O-])c(C[N@H+]2CCC[C@H](Cc3nccn3C)C2)c1 ZINC000184730785 474596640 /nfs/dbraw/zinc/59/66/40/474596640.db2.gz KOAIGJIPJFBSRR-OAHLLOKOSA-N 0 3 329.444 2.979 20 10 EFCDHN Nc1c(Cl)cc(N2C(=O)NC(CC(F)(F)F)C2=O)cc1Cl ZINC000277873504 474597853 /nfs/dbraw/zinc/59/78/53/474597853.db2.gz BBSBJVSHVFWDDP-ZETCQYMHSA-N 0 3 342.104 2.953 20 10 EFCDHN CCCOc1ccc(C[NH2+][C@@H]2CCCN(c3ccnn3C)C2)c([O-])c1 ZINC000278112464 474601161 /nfs/dbraw/zinc/60/11/61/474601161.db2.gz BOTFRORGMMPWBV-MRXNPFEDSA-N 0 3 344.459 2.673 20 10 EFCDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000272095025 474602448 /nfs/dbraw/zinc/60/24/48/474602448.db2.gz FEJUZQGJLKROKS-HNNXBMFYSA-N 0 3 332.492 2.624 20 10 EFCDHN C[C@@H]([NH2+]C[C@@H](O)CN1CCCC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000278244747 474604251 /nfs/dbraw/zinc/60/42/51/474604251.db2.gz LUNIBVPHMIQTDJ-GHMZBOCLSA-N 0 3 333.259 2.806 20 10 EFCDHN C[C@@H](NC[C@@H](O)C[NH+]1CCCC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000278244747 474604254 /nfs/dbraw/zinc/60/42/54/474604254.db2.gz LUNIBVPHMIQTDJ-GHMZBOCLSA-N 0 3 333.259 2.806 20 10 EFCDHN COc1c([O-])c(C[N@H+](C)C2CCN(C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000278246851 474604652 /nfs/dbraw/zinc/60/46/52/474604652.db2.gz OPHPVSLATAFAEE-UHFFFAOYSA-N 0 3 337.420 2.614 20 10 EFCDHN COc1c([O-])c(C[N@@H+](C)C2CCN(C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000278246851 474604657 /nfs/dbraw/zinc/60/46/57/474604657.db2.gz OPHPVSLATAFAEE-UHFFFAOYSA-N 0 3 337.420 2.614 20 10 EFCDHN COc1c([O-])c(CN(C)C2CC[NH+](C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000278246851 474604659 /nfs/dbraw/zinc/60/46/59/474604659.db2.gz OPHPVSLATAFAEE-UHFFFAOYSA-N 0 3 337.420 2.614 20 10 EFCDHN COc1c([O-])c(CNCC[C@H](C)[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000278309685 474606926 /nfs/dbraw/zinc/60/69/26/474606926.db2.gz DUWHXEDXYARIQN-ZDUSSCGKSA-N 0 3 337.420 2.663 20 10 EFCDHN COc1c([O-])c(C[NH2+]CC[C@H](C)N2CCCCC2)ccc1[N+](=O)[O-] ZINC000278309685 474606929 /nfs/dbraw/zinc/60/69/29/474606929.db2.gz DUWHXEDXYARIQN-ZDUSSCGKSA-N 0 3 337.420 2.663 20 10 EFCDHN Cc1cc(C(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)c(C)n1-c1ccccn1 ZINC000272481254 474612629 /nfs/dbraw/zinc/61/26/29/474612629.db2.gz MCWFSSSIKCBSJX-WMZOPIPTSA-N 0 3 338.455 2.655 20 10 EFCDHN CN1CCCc2cc(CN[C@@H]3CCC[C@@H](S(C)(=O)=O)C3)ccc21 ZINC000284309491 474616563 /nfs/dbraw/zinc/61/65/63/474616563.db2.gz ZFUFGVZGKVGWNR-IAGOWNOFSA-N 0 3 336.501 2.514 20 10 EFCDHN CCNC(=O)COc1cccc(C[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000272807187 474626132 /nfs/dbraw/zinc/62/61/32/474626132.db2.gz CNUHJTQQZJOVDC-CQSZACIVSA-N 0 3 328.412 2.758 20 10 EFCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+]C1(CO)CCOCC1 ZINC000273167214 474754136 /nfs/dbraw/zinc/75/41/36/474754136.db2.gz LQGFQIUSNWPHTK-UHFFFAOYSA-N 0 3 343.423 2.602 20 10 EFCDHN C[C@@H]1C[C@H](NC(=O)NCc2ccccc2O)CN1Cc1ccccc1 ZINC000268119848 474809101 /nfs/dbraw/zinc/80/91/01/474809101.db2.gz MCAGSICWWIKHRW-QAPCUYQASA-N 0 3 339.439 2.854 20 10 EFCDHN COc1ccc(O)c([C@@H](C)NCCS(=O)(=O)Cc2ccccc2)c1 ZINC000273302347 474832056 /nfs/dbraw/zinc/83/20/56/474832056.db2.gz BSCUJJYLKIOKEW-CQSZACIVSA-N 0 3 349.452 2.666 20 10 EFCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)COc2ccc3c(c2)OCO3)c([O-])c1 ZINC000273369996 474862571 /nfs/dbraw/zinc/86/25/71/474862571.db2.gz FWKUFHRNDKZOKZ-ZIAGYGMSSA-N 0 3 345.395 2.520 20 10 EFCDHN Cc1ccc([C@H](C)[NH2+]C[C@H](O)COc2ccc3c(c2)OCO3)c([O-])c1 ZINC000273369981 474863395 /nfs/dbraw/zinc/86/33/95/474863395.db2.gz FWKUFHRNDKZOKZ-KBPBESRZSA-N 0 3 345.395 2.520 20 10 EFCDHN CCNC(=O)COc1cccc(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])c1 ZINC000273393923 474876920 /nfs/dbraw/zinc/87/69/20/474876920.db2.gz LLCVPFCOUSPYSI-ZDUSSCGKSA-N 0 3 346.402 2.897 20 10 EFCDHN Cc1c(/C=C\C(=O)N2C[C@H]3CCCN3Cc3ccccc32)cnn1C ZINC000255617151 474880601 /nfs/dbraw/zinc/88/06/01/474880601.db2.gz OPBFTHVKEHZARP-HJCTWCACSA-N 0 3 336.439 2.753 20 10 EFCDHN Cc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)nc2)c([O-])c1 ZINC000273423015 474890040 /nfs/dbraw/zinc/89/00/40/474890040.db2.gz SMKNIPNWELYUDH-OAHLLOKOSA-N 0 3 327.428 2.783 20 10 EFCDHN COCCNC(=O)[C@H](CC(C)C)[NH2+][C@H](C)c1ccc(C)c(C)c1[O-] ZINC000273454020 474905935 /nfs/dbraw/zinc/90/59/35/474905935.db2.gz GRNRWSGCIOYGKB-WBVHZDCISA-N 0 3 336.476 2.837 20 10 EFCDHN C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C1=O)c1cc(F)ccc1[O-] ZINC000273457941 474909034 /nfs/dbraw/zinc/90/90/34/474909034.db2.gz HJXIRJMCGCJCHF-SUMWQHHRSA-N 0 3 328.387 2.983 20 10 EFCDHN COc1c([O-])c(C[NH2+]C[C@H](C)CN2CCCCC2)ccc1[N+](=O)[O-] ZINC000278926314 474920089 /nfs/dbraw/zinc/92/00/89/474920089.db2.gz VOMYBBNXOAMGRM-ZDUSSCGKSA-N 0 3 337.420 2.521 20 10 EFCDHN COc1c([O-])c(CNC[C@H](C)C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000278926314 474920095 /nfs/dbraw/zinc/92/00/95/474920095.db2.gz VOMYBBNXOAMGRM-ZDUSSCGKSA-N 0 3 337.420 2.521 20 10 EFCDHN CCN1CCN(C[C@H](C)C[NH2+][C@@H](C)c2ccc(C)c(C)c2[O-])CC1 ZINC000273563860 474965180 /nfs/dbraw/zinc/96/51/80/474965180.db2.gz IXVIIHVLBBVLGH-QAPCUYQASA-N 0 3 333.520 2.933 20 10 EFCDHN CSC[C@@H]1CCCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000292362023 474984153 /nfs/dbraw/zinc/98/41/53/474984153.db2.gz IHHYPSDQMKGLDV-QGZVFWFLSA-N 0 3 349.544 2.786 20 10 EFCDHN CCN(CC)c1ccc(CNCC2(S(C)(=O)=O)CCC2)cc1F ZINC000279811479 474994099 /nfs/dbraw/zinc/99/40/99/474994099.db2.gz OORAPMAOYIMKBR-UHFFFAOYSA-N 0 3 342.480 2.729 20 10 EFCDHN CN(C)c1ccc(CN[C@@H]2CCCCNC2=O)c(C(F)(F)F)c1 ZINC000279840974 474996486 /nfs/dbraw/zinc/99/64/86/474996486.db2.gz HQCGUVHNXHZSFP-CQSZACIVSA-N 0 3 329.366 2.530 20 10 EFCDHN CCCCOC[C@H](O)C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000279982552 475003278 /nfs/dbraw/zinc/00/32/78/475003278.db2.gz JVBUBPOYGXHWGX-QZTJIDSGSA-N 0 3 337.460 2.551 20 10 EFCDHN CCCCOC[C@H](O)C[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000279982552 475003285 /nfs/dbraw/zinc/00/32/85/475003285.db2.gz JVBUBPOYGXHWGX-QZTJIDSGSA-N 0 3 337.460 2.551 20 10 EFCDHN CC[C@@H]([NH2+]C1CCN(S(=O)(=O)CC)CC1)c1ccc(C)cc1[O-] ZINC000280005689 475005038 /nfs/dbraw/zinc/00/50/38/475005038.db2.gz GICGVDKKSVTTGH-MRXNPFEDSA-N 0 3 340.489 2.555 20 10 EFCDHN Cc1cc([O-])c(C[NH2+][C@@H]2CCCN(C(=O)N3CCCC3)C2)cc1C ZINC000285400506 475006997 /nfs/dbraw/zinc/00/69/97/475006997.db2.gz FDPBTIVFEVRJMX-QGZVFWFLSA-N 0 3 331.460 2.779 20 10 EFCDHN CC[C@@H]([NH2+][C@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc(C)cc1[O-] ZINC000280075597 475007841 /nfs/dbraw/zinc/00/78/41/475007841.db2.gz LJLUQYIOMNDYNH-CVEARBPZSA-N 0 3 342.443 2.670 20 10 EFCDHN CCCOc1ccc(CN2C[C@@]3(CCOC3)OC(C)(C)C2)c(O)c1 ZINC000280363255 475022295 /nfs/dbraw/zinc/02/22/95/475022295.db2.gz UPZKHHWXZSAEBO-LJQANCHMSA-N 0 3 335.444 2.951 20 10 EFCDHN CCCOc1ccc(C[NH2+]CC2(S(C)(=O)=O)CCCC2)c([O-])c1 ZINC000285473458 475026321 /nfs/dbraw/zinc/02/63/21/475026321.db2.gz KUGSXSUOQCGNER-UHFFFAOYSA-N 0 3 341.473 2.628 20 10 EFCDHN COc1cc(Cl)cc(C[NH2+]C[C@H]2COC3(CCCC3)O2)c1[O-] ZINC000273726090 475028387 /nfs/dbraw/zinc/02/83/87/475028387.db2.gz JGVVRTSPSDTXOW-ZDUSSCGKSA-N 0 3 327.808 2.830 20 10 EFCDHN CCOc1ccc([O-])c(C[NH2+][C@@H]2CCCN(C(=O)N3CCCC3)C2)c1 ZINC000285594514 475033231 /nfs/dbraw/zinc/03/32/31/475033231.db2.gz UUKFDVUQNBMTTR-MRXNPFEDSA-N 0 3 347.459 2.561 20 10 EFCDHN Cc1ccc([C@@H](C)[NH2+]C[C@H](N2CCOCC2)C(F)(F)F)c([O-])c1 ZINC000285636297 475034703 /nfs/dbraw/zinc/03/47/03/475034703.db2.gz KRDLEOLCFYVXGI-DOMZBBRYSA-N 0 3 332.366 2.614 20 10 EFCDHN CCS[C@@H]1CCC[C@@H]1NCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000285708627 475038328 /nfs/dbraw/zinc/03/83/28/475038328.db2.gz DDWCCDFDACUQPB-ZWKOTPCHSA-N 0 3 349.544 2.975 20 10 EFCDHN C[C@@H](NC[C@H]1CCS(=O)(=O)C1)c1ccc(N2CCCCC2)cc1 ZINC000268749673 475040113 /nfs/dbraw/zinc/04/01/13/475040113.db2.gz IXXPBQSOSCMSCT-HZPDHXFCSA-N 0 3 336.501 2.762 20 10 EFCDHN CCN1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2c(C)cc(C)cc2[O-])CC1 ZINC000293570246 475040699 /nfs/dbraw/zinc/04/06/99/475040699.db2.gz DJVSZHOVUMJDCM-WMZOPIPTSA-N 0 3 333.520 2.933 20 10 EFCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](N2CCOCC2)C(F)(F)F)c1 ZINC000285773390 475040959 /nfs/dbraw/zinc/04/09/59/475040959.db2.gz UDQNCPRWAXXWNA-IUODEOHRSA-N 0 3 332.366 2.614 20 10 EFCDHN COc1cc([O-])c(C[N@@H+]2CC3(CCOCC3)[C@@H]2C2CC2)cc1OC ZINC000293667563 475046814 /nfs/dbraw/zinc/04/68/14/475046814.db2.gz OLWPBVDQFXWKGE-SFHVURJKSA-N 0 3 333.428 2.800 20 10 EFCDHN COc1cc([O-])c(C[N@H+]2CC3(CCOCC3)[C@@H]2C2CC2)cc1OC ZINC000293667563 475046822 /nfs/dbraw/zinc/04/68/22/475046822.db2.gz OLWPBVDQFXWKGE-SFHVURJKSA-N 0 3 333.428 2.800 20 10 EFCDHN CCS[C@@H]1CCC[C@@H]1NCC(=O)NCc1ccc(N(C)C)cc1 ZINC000286236735 475056893 /nfs/dbraw/zinc/05/68/93/475056893.db2.gz RRJOKLADYIYJPT-DLBZAZTESA-N 0 3 335.517 2.633 20 10 EFCDHN CCS[C@H]1CCC[C@@H]1NCC(=O)NCc1ccc(N(C)C)cc1 ZINC000286236740 475057824 /nfs/dbraw/zinc/05/78/24/475057824.db2.gz RRJOKLADYIYJPT-IRXDYDNUSA-N 0 3 335.517 2.633 20 10 EFCDHN COc1ccc([O-])c(C[NH2+]Cc2cccc(N3CCOCC3)c2)c1 ZINC000293933329 475060040 /nfs/dbraw/zinc/06/00/40/475060040.db2.gz NOQMXRZPRVWHPX-UHFFFAOYSA-N 0 3 328.412 2.527 20 10 EFCDHN CCCN(CCN1CCCCC1)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000286363228 475061840 /nfs/dbraw/zinc/06/18/40/475061840.db2.gz XFSIYYRUSWWCQX-VQHVLOKHSA-N 0 3 332.444 2.836 20 10 EFCDHN Cc1ccc(C(=O)N(C)CCCN(C)Cc2ccco2)c(O)c1O ZINC000286468694 475065903 /nfs/dbraw/zinc/06/59/03/475065903.db2.gz INQJHUUFNYWLQC-UHFFFAOYSA-N 0 3 332.400 2.593 20 10 EFCDHN Cc1cc(C(=O)N2CC[C@]3(CCN(C)C3)C2)c(C)n1-c1ccccn1 ZINC000292531658 475073796 /nfs/dbraw/zinc/07/37/96/475073796.db2.gz KJBRDAUHRJHWBJ-FQEVSTJZSA-N 0 3 338.455 2.657 20 10 EFCDHN CN(Cc1cccs1)c1ccc(CN(CCO)CCCO)cc1 ZINC000294685369 475079538 /nfs/dbraw/zinc/07/95/38/475079538.db2.gz DLPVCULVYLFYNX-UHFFFAOYSA-N 0 3 334.485 2.561 20 10 EFCDHN CCOc1cccc(C[N@@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)c1[O-] ZINC000294771345 475081339 /nfs/dbraw/zinc/08/13/39/475081339.db2.gz KFHQKKRPWSHJFE-CQSZACIVSA-N 0 3 334.460 2.905 20 10 EFCDHN CCOc1cccc(C[N@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)c1[O-] ZINC000294771345 475081351 /nfs/dbraw/zinc/08/13/51/475081351.db2.gz KFHQKKRPWSHJFE-CQSZACIVSA-N 0 3 334.460 2.905 20 10 EFCDHN Cc1cc(Br)cc(C[NH2+][C@@H](C)C(=O)N2CCCC2)c1[O-] ZINC000281152827 475091790 /nfs/dbraw/zinc/09/17/90/475091790.db2.gz FNQMEDYOZUJYMJ-NSHDSACASA-N 0 3 341.249 2.564 20 10 EFCDHN C[C@@H](NC[C@H]1CN(C)CCN1C)c1ccc(N2CCCCC2)c(F)c1 ZINC000268961080 475098181 /nfs/dbraw/zinc/09/81/81/475098181.db2.gz XISOEQYIGBDJJJ-AEFFLSMTSA-N 0 3 348.510 2.712 20 10 EFCDHN COc1cc(O)c(CNCc2cnc(OC)c(Cl)c2)cc1OC ZINC000295020528 475099127 /nfs/dbraw/zinc/09/91/27/475099127.db2.gz NCLZZVOGESVIER-UHFFFAOYSA-N 0 3 338.791 2.756 20 10 EFCDHN C[C@H]([NH2+]C[C@@H]1CCCS(=O)(=O)C1)c1cc2c(cc1[O-])CCCC2 ZINC000287242045 475100240 /nfs/dbraw/zinc/10/02/40/475100240.db2.gz YWTDGNAOGRUYQR-KBPBESRZSA-N 0 3 337.485 2.746 20 10 EFCDHN CCN1CCN(c2ccc(CN[C@@H]3C[C@@H](C)O[C@@H]3C)cc2F)CC1 ZINC000295270902 475117840 /nfs/dbraw/zinc/11/78/40/475117840.db2.gz VPRUCSUTAPJSDU-IIDMSEBBSA-N 0 3 335.467 2.623 20 10 EFCDHN Cc1ccc([C@@H](C[NH2+][C@H]2CCc3cccc([O-])c32)N2CCOCC2)o1 ZINC000295914898 475134540 /nfs/dbraw/zinc/13/45/40/475134540.db2.gz JKSCPJCYXVLLLZ-DLBZAZTESA-N 0 3 342.439 2.944 20 10 EFCDHN COCC1(C[NH2+]Cc2cc(Cl)cc(OC)c2[O-])CCOCC1 ZINC000292697771 475156015 /nfs/dbraw/zinc/15/60/15/475156015.db2.gz BYRBBBVVDCCDNC-UHFFFAOYSA-N 0 3 329.824 2.587 20 10 EFCDHN Cc1ccc([C@H](O)CN[C@H](C)c2ccc(N3CCOCC3)c(F)c2)o1 ZINC000269071739 475160355 /nfs/dbraw/zinc/16/03/55/475160355.db2.gz XCVIIHGIFZSBPT-RDTXWAMCSA-N 0 3 348.418 2.948 20 10 EFCDHN CCOc1ccc([O-])c(C[N@@H+]2CC[C@]3(C2)C(=O)Nc2ccccc23)c1 ZINC000368785009 476371304 /nfs/dbraw/zinc/37/13/04/476371304.db2.gz SRRSFRUUYXUGRE-HXUWFJFHSA-N 0 3 338.407 2.887 20 10 EFCDHN CCOc1ccc([O-])c(C[N@H+]2CC[C@]3(C2)C(=O)Nc2ccccc23)c1 ZINC000368785009 476371312 /nfs/dbraw/zinc/37/13/12/476371312.db2.gz SRRSFRUUYXUGRE-HXUWFJFHSA-N 0 3 338.407 2.887 20 10 EFCDHN Cc1cc(C(=O)N2CC[C@@H](N3CCCC3)C2)c(C)n1-c1ccccn1 ZINC000368926765 476379707 /nfs/dbraw/zinc/37/97/07/476379707.db2.gz QOBDVOMNNRIVOB-QGZVFWFLSA-N 0 3 338.455 2.799 20 10 EFCDHN Cc1cc(Br)cc(C[N@@H+]2CC[C@@](O)(C3CC3)C2)c1[O-] ZINC000373325153 476392946 /nfs/dbraw/zinc/39/29/46/476392946.db2.gz SDPDIUMSIIIXKT-HNNXBMFYSA-N 0 3 326.234 2.810 20 10 EFCDHN Cc1cc(Br)cc(C[N@H+]2CC[C@@](O)(C3CC3)C2)c1[O-] ZINC000373325153 476392951 /nfs/dbraw/zinc/39/29/51/476392951.db2.gz SDPDIUMSIIIXKT-HNNXBMFYSA-N 0 3 326.234 2.810 20 10 EFCDHN COc1ccc(CNC(=[NH2+])N[C@H]2CCOc3ccccc32)c([O-])c1 ZINC000369546014 476425497 /nfs/dbraw/zinc/42/54/97/476425497.db2.gz MDXJEINLKJAZRH-HNNXBMFYSA-N 0 3 327.384 2.539 20 10 EFCDHN CCOc1cccc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)c1[O-] ZINC000374256523 476464274 /nfs/dbraw/zinc/46/42/74/476464274.db2.gz NYKOLJFNJFATON-SJORKVTESA-N 0 3 345.443 2.613 20 10 EFCDHN CCOc1cccc(C[N@H+]2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)c1[O-] ZINC000374256523 476464280 /nfs/dbraw/zinc/46/42/80/476464280.db2.gz NYKOLJFNJFATON-SJORKVTESA-N 0 3 345.443 2.613 20 10 EFCDHN COc1cc(Br)cc(CN2CC[C@](O)(C3CC3)C2)c1O ZINC000369675644 476473244 /nfs/dbraw/zinc/47/32/44/476473244.db2.gz HNZAWQLBCIEOCW-OAHLLOKOSA-N 0 3 342.233 2.510 20 10 EFCDHN Cc1ccc([O-])c(C[N@@H+]2CCCC[C@H]2COC(=O)N[C@H]2CCOC2)c1 ZINC000377689508 476522952 /nfs/dbraw/zinc/52/29/52/476522952.db2.gz CCVKEXHEDKNFCL-IRXDYDNUSA-N 0 3 348.443 2.570 20 10 EFCDHN Cc1ccc([O-])c(C[N@H+]2CCCC[C@H]2COC(=O)N[C@H]2CCOC2)c1 ZINC000377689508 476522959 /nfs/dbraw/zinc/52/29/59/476522959.db2.gz CCVKEXHEDKNFCL-IRXDYDNUSA-N 0 3 348.443 2.570 20 10 EFCDHN CNCc1ccccc1NC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000415920787 476969544 /nfs/dbraw/zinc/96/95/44/476969544.db2.gz KPTAPVAPTCGVNR-UHFFFAOYSA-N 0 3 340.427 2.903 20 10 EFCDHN Cc1c2ccccc2n(C)c1CNC(=O)N(C)C[C@H]1CCCN1C ZINC000420835525 477788153 /nfs/dbraw/zinc/78/81/53/477788153.db2.gz IROPQSWPZFKEAI-OAHLLOKOSA-N 0 3 328.460 2.722 20 10 EFCDHN Cc1c2ccccc2n(C)c1CNC(=O)N(C)C[C@@H]1CCCN1C ZINC000420835524 477788575 /nfs/dbraw/zinc/78/85/75/477788575.db2.gz IROPQSWPZFKEAI-HNNXBMFYSA-N 0 3 328.460 2.722 20 10 EFCDHN CC[C@@H]([NH2+][C@H]1CCN(c2ccccc2C(N)=O)C1)c1ccccc1[O-] ZINC000368408796 477804151 /nfs/dbraw/zinc/80/41/51/477804151.db2.gz FMRIVNJLROFCLH-WMLDXEAASA-N 0 3 339.439 2.811 20 10 EFCDHN Cc1c2ccccc2n(C)c1CNC(=O)NC[C@@H](C)N(C)C1CC1 ZINC000471823437 478010509 /nfs/dbraw/zinc/01/05/09/478010509.db2.gz DUWQIOJVLOYSRS-CYBMUJFWSA-N 0 3 328.460 2.769 20 10 EFCDHN Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000471972037 478012454 /nfs/dbraw/zinc/01/24/54/478012454.db2.gz DNYNESHATNYWJF-UKRRQHHQSA-N 0 3 328.460 2.769 20 10 EFCDHN COC[C@]1(NCc2ccc3c(c2)CCO3)COc2ccccc2C1 ZINC000527799201 478523142 /nfs/dbraw/zinc/52/31/42/478523142.db2.gz JTONUPPSWOBLJA-FQEVSTJZSA-N 0 3 325.408 2.731 20 10 EFCDHN CCOc1cccc(CN[C@@]2(COC)COc3ccccc3C2)c1O ZINC000527802042 478527297 /nfs/dbraw/zinc/52/72/97/478527297.db2.gz VAQSDVINTSFRDI-FQEVSTJZSA-N 0 3 343.423 2.901 20 10 EFCDHN CCOc1cccc(C[NH2+][C@@]2(COC)COc3ccccc3C2)c1[O-] ZINC000527802042 478527305 /nfs/dbraw/zinc/52/73/05/478527305.db2.gz VAQSDVINTSFRDI-FQEVSTJZSA-N 0 3 343.423 2.901 20 10 EFCDHN COc1cccc([C@H](C[NH2+]Cc2cc(OC)c(OC)cc2[O-])OC)c1 ZINC000529637819 479232534 /nfs/dbraw/zinc/23/25/34/479232534.db2.gz FUZZAVVXVHXUCP-IBGZPJMESA-N 0 3 347.411 2.895 20 10 EFCDHN CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1cccc(CN)c1 ZINC000667736535 481771763 /nfs/dbraw/zinc/77/17/63/481771763.db2.gz HOXYYXCRAGVVKV-UHFFFAOYSA-N 0 3 326.400 2.642 20 10 EFCDHN COc1ccc([O-])c([C@@H](C)[NH2+]Cc2ccc(Cn3cncn3)cc2)c1 ZINC000184953979 500853171 /nfs/dbraw/zinc/85/31/71/500853171.db2.gz OTRIZRULNZLFAI-CQSZACIVSA-N 0 3 338.411 2.891 20 10 EFCDHN CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@@H]2CCc3cccc([O-])c32)c1 ZINC000297965453 522311515 /nfs/dbraw/zinc/31/15/15/522311515.db2.gz ZMBMGXBYXBMMIZ-MLGOLLRUSA-N 0 3 346.452 2.638 20 10 EFCDHN CC(C)N(CCN(C)C)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000158203800 528896853 /nfs/dbraw/zinc/89/68/53/528896853.db2.gz UDGNLHPUVCBSBO-UHFFFAOYSA-N 0 3 332.492 2.551 20 10 EFCDHN CCCN(CCC)c1ccc(CN[C@@H]2CS(=O)(=O)C[C@@H]2C)cc1 ZINC000288504712 535327948 /nfs/dbraw/zinc/32/79/48/535327948.db2.gz IHQACBXYUYHJNY-MAUKXSAKSA-N 0 3 338.517 2.836 20 10 EFCDHN CCOc1cccc(C[NH2+]C[C@@H](CO)Cc2ccc(F)cc2)c1[O-] ZINC000263707596 535457843 /nfs/dbraw/zinc/45/78/43/535457843.db2.gz SPGUTADZVNXSRN-HNNXBMFYSA-N 0 3 333.403 2.871 20 10 EFCDHN CCC[C@H](N)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000236928605 535680656 /nfs/dbraw/zinc/68/06/56/535680656.db2.gz FIRXUXNVVQOQBU-WFASDCNBSA-N 0 3 341.402 2.500 20 10 EFCDHN CCOC1CC(C[NH2+][C@@H](CC)c2ccccc2[O-])(N2CCOCC2)C1 ZINC000193396709 535756977 /nfs/dbraw/zinc/75/69/77/535756977.db2.gz UIJCXOVPEMKNPS-IPCDKGFNSA-N 0 3 348.487 2.703 20 10 EFCDHN CC[C@@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)c1ccc(F)cc1[O-] ZINC000367616617 535808976 /nfs/dbraw/zinc/80/89/76/535808976.db2.gz LQSUHNKRYSRYSJ-MAUKXSAKSA-N 0 3 335.467 2.741 20 10 EFCDHN CN1CCCc2cc(CNCc3ccc4c(c3)NC(=O)CO4)ccc21 ZINC000294118943 536396472 /nfs/dbraw/zinc/39/64/72/536396472.db2.gz GIYDMQUJIVTJOC-UHFFFAOYSA-N 0 3 337.423 2.690 20 10 EFCDHN COc1ccc(N2CCC(N[C@@H](CO)c3ccccc3)CC2)cc1 ZINC000305108735 536669861 /nfs/dbraw/zinc/66/98/61/536669861.db2.gz DVZQRYKLZXXUOX-FQEVSTJZSA-N 0 3 326.440 2.987 20 10 EFCDHN COc1ccc(N2CCCN(Cc3ccc(CO)cc3)CC2)cc1 ZINC000305837061 536671849 /nfs/dbraw/zinc/67/18/49/536671849.db2.gz PYKNZDNYTYGLEV-UHFFFAOYSA-N 0 3 326.440 2.900 20 10 EFCDHN COc1cc([O-])c(C[NH2+][C@@H]2CCc3ccccc3OC2)cc1OC ZINC000367350184 536856560 /nfs/dbraw/zinc/85/65/60/536856560.db2.gz SNEMDOLCXYVEBO-OAHLLOKOSA-N 0 3 329.396 2.893 20 10 EFCDHN CN1CC[C@@H]2CCN(C(=O)NCc3ccc(N4CCCC4)cc3)[C@@H]2C1 ZINC000272473885 545633687 /nfs/dbraw/zinc/63/36/87/545633687.db2.gz QOAICCMRXPWCBN-IEBWSBKVSA-N 0 3 342.487 2.522 20 10 EFCDHN C[C@](CO)(NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C1CC1 ZINC000754048335 575380099 /nfs/dbraw/zinc/38/00/99/575380099.db2.gz PZPVZGAPNBEHNG-GOSISDBHSA-N 0 3 333.432 2.836 20 10 EFCDHN [O-]c1ccccc1C[N@@H+](C[C@H](O)COC1CCOCC1)C1CCCC1 ZINC000755943251 575660595 /nfs/dbraw/zinc/66/05/95/575660595.db2.gz GPAAUFHPEZFKDW-SFHVURJKSA-N 0 3 349.471 2.693 20 10 EFCDHN [O-]c1ccccc1C[N@H+](C[C@H](O)COC1CCOCC1)C1CCCC1 ZINC000755943251 575660597 /nfs/dbraw/zinc/66/05/97/575660597.db2.gz GPAAUFHPEZFKDW-SFHVURJKSA-N 0 3 349.471 2.693 20 10 EFCDHN Cc1ccc(O)c(CN[C@@H]2CCN(c3c(F)cccc3F)C2=O)c1 ZINC000756148956 575693846 /nfs/dbraw/zinc/69/38/46/575693846.db2.gz IGEFGQZVZKZCBA-OAHLLOKOSA-N 0 3 332.350 2.874 20 10 EFCDHN CC(C)[C@H](C[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F)N1CCN(C)CC1 ZINC000756398127 575730798 /nfs/dbraw/zinc/73/07/98/575730798.db2.gz BTLJORIXIJSWDI-OIISXLGYSA-N 0 3 349.494 2.941 20 10 EFCDHN COCCOc1ccc(CN[C@@H](C)c2cc(OC)ccc2O)cn1 ZINC000756431156 575738226 /nfs/dbraw/zinc/73/82/26/575738226.db2.gz BUCKPSCANJTKNI-ZDUSSCGKSA-N 0 3 332.400 2.672 20 10 EFCDHN CNC(=O)COc1cccc(C[NH2+][C@H](C)c2cc(C)ccc2[O-])c1 ZINC000756435132 575738801 /nfs/dbraw/zinc/73/88/01/575738801.db2.gz WNAWSFWJTVXYJQ-CQSZACIVSA-N 0 3 328.412 2.676 20 10 EFCDHN CNS(=O)(=O)Cc1ccc(C[NH2+][C@H](C)c2cc(C)ccc2[O-])cc1 ZINC000756447359 575741510 /nfs/dbraw/zinc/74/15/10/575741510.db2.gz UQYQVZWDHPNSGP-CQSZACIVSA-N 0 3 348.468 2.601 20 10 EFCDHN C[C@H]([NH2+]CCS(=O)(=O)Cc1ccccc1)c1cc(F)ccc1[O-] ZINC000756454713 575742268 /nfs/dbraw/zinc/74/22/68/575742268.db2.gz FCIYPOYILFTTOR-ZDUSSCGKSA-N 0 3 337.416 2.797 20 10 EFCDHN C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3c2cnn3CCO)c2c1c(F)ccc2[O-] ZINC000756459906 575742577 /nfs/dbraw/zinc/74/25/77/575742577.db2.gz QBQACAXAQITHQO-UGFHNGPFSA-N 0 3 345.418 2.936 20 10 EFCDHN Cc1ccc([C@H](C)NCCNS(=O)(=O)c2ccccc2)c(O)c1C ZINC000756484568 575747348 /nfs/dbraw/zinc/74/73/48/575747348.db2.gz YTBZRGQRJWBDRK-HNNXBMFYSA-N 0 3 348.468 2.638 20 10 EFCDHN Cc1ccc([C@H](C)[NH2+]CCNS(=O)(=O)c2ccccc2)c([O-])c1C ZINC000756484568 575747350 /nfs/dbraw/zinc/74/73/50/575747350.db2.gz YTBZRGQRJWBDRK-HNNXBMFYSA-N 0 3 348.468 2.638 20 10 EFCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)c1 ZINC000756572649 575764470 /nfs/dbraw/zinc/76/44/70/575764470.db2.gz HHUNFOKVOBCANN-PBHICJAKSA-N 0 3 334.460 2.695 20 10 EFCDHN Cc1ccc([C@@H](C)[NH2+]Cc2ccc3c(c2)CCS3(=O)=O)c([O-])c1 ZINC000756756223 575784214 /nfs/dbraw/zinc/78/42/14/575784214.db2.gz GJIVWRJMLUMQPC-CYBMUJFWSA-N 0 3 331.437 2.881 20 10 EFCDHN CCN(CC)c1ccc(CNC(=O)N[C@H]2CN(C3CC3)C[C@H]2C)cc1 ZINC000757635034 575846542 /nfs/dbraw/zinc/84/65/42/575846542.db2.gz MCBNILJXVAALBD-BEFAXECRSA-N 0 3 344.503 2.815 20 10 EFCDHN C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCCS2(=O)=O)c2c1c(F)ccc2[O-] ZINC000757656979 575848051 /nfs/dbraw/zinc/84/80/51/575848051.db2.gz SXDAGCFIVOVDNE-WZRBSPASSA-N 0 3 327.421 2.637 20 10 EFCDHN COc1cccc(C[NH2+]C[C@@]2(CO)C[C@@H]2c2ccc(F)cc2)c1[O-] ZINC000758521244 575871485 /nfs/dbraw/zinc/87/14/85/575871485.db2.gz ARLQWKLBJDZFHW-VQIMIIECSA-N 0 3 331.387 2.796 20 10 EFCDHN Cn1ccc(CCNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)n1 ZINC000760647618 576057653 /nfs/dbraw/zinc/05/76/53/576057653.db2.gz DCAWDIWHCJTWDK-UHFFFAOYSA-N 0 3 343.431 2.651 20 10 EFCDHN CCN(CC)c1ccc(CN(C)CC[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000760807628 576076450 /nfs/dbraw/zinc/07/64/50/576076450.db2.gz GQTXVNQZLQVHPZ-QGZVFWFLSA-N 0 3 338.517 2.789 20 10 EFCDHN COc1cc(Cl)cc(C[NH2+]C[C@H](CO)Cc2ccco2)c1[O-] ZINC000761215339 576130700 /nfs/dbraw/zinc/13/07/00/576130700.db2.gz KOMQFGZZLHLXRU-LLVKDONJSA-N 0 3 325.792 2.588 20 10 EFCDHN CN(C)CCOc1ccc(N(C)Cc2cccc3c2OCO3)cc1 ZINC000761221906 576131884 /nfs/dbraw/zinc/13/18/84/576131884.db2.gz GBEAJYYJHKRHDH-UHFFFAOYSA-N 0 3 328.412 2.992 20 10 EFCDHN C[C@H](CCS(C)(=O)=O)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000761988550 576238615 /nfs/dbraw/zinc/23/86/15/576238615.db2.gz HARNTNDYKPJKLI-CQSZACIVSA-N 0 3 333.453 2.972 20 10 EFCDHN [O-]c1cc2c(cc1C[NH+]1CCC(c3ccncc3)CC1)[C@@H](O)CO2 ZINC000762094884 576255703 /nfs/dbraw/zinc/25/57/03/576255703.db2.gz AIJZJCROCUIUHT-SFHVURJKSA-N 0 3 326.396 2.593 20 10 EFCDHN Cc1cnc(C2CC[NH+](Cc3cc4c(cc3[O-])OC[C@H]4O)CC2)s1 ZINC000762167984 576268604 /nfs/dbraw/zinc/26/86/04/576268604.db2.gz FKGSSMQUPQGDDC-MRXNPFEDSA-N 0 3 346.452 2.963 20 10 EFCDHN COc1cc(Cl)cc(C[NH2+]CCCN2CCCO[C@H](C)C2)c1[O-] ZINC000763661164 576384929 /nfs/dbraw/zinc/38/49/29/576384929.db2.gz NNIHOEUNZZSSMX-CYBMUJFWSA-N 0 3 342.867 2.645 20 10 EFCDHN CCN(C)c1ccc([C@@H](C)NCc2ccc(-n3cncn3)nc2)cc1 ZINC000764958170 576528960 /nfs/dbraw/zinc/52/89/60/576528960.db2.gz SLTXLATWQREKSQ-OAHLLOKOSA-N 0 3 336.443 2.969 20 10 EFCDHN COc1ccc(N2CCN(CCCc3ccncc3)CC2)cc1F ZINC000764974944 576531759 /nfs/dbraw/zinc/53/17/59/576531759.db2.gz KNGVZZOGWVPCGA-UHFFFAOYSA-N 0 3 329.419 2.984 20 10 EFCDHN C[C@H](NCCNC(=O)c1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000765309499 577030916 /nfs/dbraw/zinc/03/09/16/577030916.db2.gz DXLPHJGGAKATGN-AWEZNQCLSA-N 0 3 329.419 2.972 20 10 EFCDHN C[C@H](NCCOCC(F)(F)F)c1ccc(N2CCOCC2)cc1 ZINC000765361696 577034936 /nfs/dbraw/zinc/03/49/36/577034936.db2.gz AVIVVWHYQCUGLZ-ZDUSSCGKSA-N 0 3 332.366 2.753 20 10 EFCDHN C[C@@H](NC[C@](C)(O)C1CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000765937472 577089992 /nfs/dbraw/zinc/08/99/92/577089992.db2.gz VPRJWBWHNLNXDY-ACJLOTCBSA-N 0 3 338.879 2.988 20 10 EFCDHN COc1cccc(CNCc2cc(OC)c(OC)cc2OC)c1O ZINC000725841587 577243755 /nfs/dbraw/zinc/24/37/55/577243755.db2.gz IHSJQWMYGZWWCZ-UHFFFAOYSA-N 0 3 333.384 2.716 20 10 EFCDHN [O-]c1cc2c(cc1C[NH2+]Cc1ccccc1Cn1ccnc1)OCO2 ZINC000725845065 577246264 /nfs/dbraw/zinc/24/62/64/577246264.db2.gz IBAYZMJEXXRUEG-UHFFFAOYSA-N 0 3 337.379 2.656 20 10 EFCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]C[C@H](O)COCC1CC1 ZINC000725850180 577249973 /nfs/dbraw/zinc/24/99/73/577249973.db2.gz PEBQCPYGDBCWFS-IBGZPJMESA-N 0 3 327.424 2.936 20 10 EFCDHN COc1cccc(CNCC(=O)Nc2cccc3cccnc32)c1O ZINC000725851647 577250755 /nfs/dbraw/zinc/25/07/55/577250755.db2.gz TVESTRQJKXZKTO-UHFFFAOYSA-N 0 3 337.379 2.677 20 10 EFCDHN CC(C)CNC(=O)C1CCN(Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000768227556 577261771 /nfs/dbraw/zinc/26/17/71/577261771.db2.gz BNJQUZSZOAHEML-UHFFFAOYSA-N 0 3 335.467 2.876 20 10 EFCDHN CCOc1ccc(CN2CC[C@@H](NC(=O)OC(C)(C)C)C2)c(O)c1 ZINC000768243060 577262634 /nfs/dbraw/zinc/26/26/34/577262634.db2.gz BYDLXVVYNLLLPD-CQSZACIVSA-N 0 3 336.432 2.890 20 10 EFCDHN C[NH+](C)CC1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000768302633 577265322 /nfs/dbraw/zinc/26/53/22/577265322.db2.gz OMCBWILUZKUGOE-UHFFFAOYSA-N 0 3 327.812 2.727 20 10 EFCDHN C[N@H+](CCCOc1ccc(F)cc1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768440219 577273728 /nfs/dbraw/zinc/27/37/28/577273728.db2.gz UMDQREWFRBWZMZ-GOSISDBHSA-N 0 3 347.386 2.858 20 10 EFCDHN C[N@@H+](CCCOc1ccc(F)cc1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768440219 577273730 /nfs/dbraw/zinc/27/37/30/577273730.db2.gz UMDQREWFRBWZMZ-GOSISDBHSA-N 0 3 347.386 2.858 20 10 EFCDHN COc1ccc(C[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C2CC2)cc1 ZINC000768442523 577273750 /nfs/dbraw/zinc/27/37/50/577273750.db2.gz RVEPYHAPWRVFNC-IBGZPJMESA-N 0 3 341.407 2.991 20 10 EFCDHN COc1ccc(C[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C2CC2)cc1 ZINC000768442523 577273751 /nfs/dbraw/zinc/27/37/51/577273751.db2.gz RVEPYHAPWRVFNC-IBGZPJMESA-N 0 3 341.407 2.991 20 10 EFCDHN CCOC(=O)N1CCCN(Cc2cc3c(cc2O)CCCC3)CC1 ZINC000768443606 577273964 /nfs/dbraw/zinc/27/39/64/577273964.db2.gz HMQUOEHQKCQBPH-UHFFFAOYSA-N 0 3 332.444 2.935 20 10 EFCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@H](c3ccccc3F)C1)[C@H](O)CO2 ZINC000768448532 577274645 /nfs/dbraw/zinc/27/46/45/577274645.db2.gz CLRYNIPODYJWBH-KPZWWZAWSA-N 0 3 329.371 2.947 20 10 EFCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@H](c3ccccc3F)C1)[C@H](O)CO2 ZINC000768448532 577274647 /nfs/dbraw/zinc/27/46/47/577274647.db2.gz CLRYNIPODYJWBH-KPZWWZAWSA-N 0 3 329.371 2.947 20 10 EFCDHN COc1ccccc1[C@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768448345 577274696 /nfs/dbraw/zinc/27/46/96/577274696.db2.gz UMMUVAWGJLRVJU-SCLBCKFNSA-N 0 3 341.407 2.816 20 10 EFCDHN COc1ccccc1[C@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768448345 577274700 /nfs/dbraw/zinc/27/47/00/577274700.db2.gz UMMUVAWGJLRVJU-SCLBCKFNSA-N 0 3 341.407 2.816 20 10 EFCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@H](c3cccc(F)c3)C1)[C@H](O)CO2 ZINC000768452705 577275072 /nfs/dbraw/zinc/27/50/72/577275072.db2.gz QVDBSFMPELSEEE-SCLBCKFNSA-N 0 3 329.371 2.947 20 10 EFCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@H](c3cccc(F)c3)C1)[C@H](O)CO2 ZINC000768452705 577275073 /nfs/dbraw/zinc/27/50/73/577275073.db2.gz QVDBSFMPELSEEE-SCLBCKFNSA-N 0 3 329.371 2.947 20 10 EFCDHN CCC1(CC)[C@H](OC)C[C@H]1[N@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768462502 577275753 /nfs/dbraw/zinc/27/57/53/577275753.db2.gz MCJVXRWQSKAXCY-CGTJXYLNSA-N 0 3 335.444 2.844 20 10 EFCDHN CCC1(CC)[C@H](OC)C[C@H]1[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768462502 577275756 /nfs/dbraw/zinc/27/57/56/577275756.db2.gz MCJVXRWQSKAXCY-CGTJXYLNSA-N 0 3 335.444 2.844 20 10 EFCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@H](c3ccc(F)cc3)C1)[C@@H](O)CO2 ZINC000768463408 577275965 /nfs/dbraw/zinc/27/59/65/577275965.db2.gz IEYYJCNZIHRDNK-UGSOOPFHSA-N 0 3 329.371 2.947 20 10 EFCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@H](c3ccc(F)cc3)C1)[C@@H](O)CO2 ZINC000768463408 577275967 /nfs/dbraw/zinc/27/59/67/577275967.db2.gz IEYYJCNZIHRDNK-UGSOOPFHSA-N 0 3 329.371 2.947 20 10 EFCDHN CCC[C@H]1CN(Cc2cc(OC)c(C)cc2O)CCN1CCOC ZINC000768464607 577276282 /nfs/dbraw/zinc/27/62/82/577276282.db2.gz CYKAWYRVTCORII-KRWDZBQOSA-N 0 3 336.476 2.642 20 10 EFCDHN CCC[C@@H]1CN(Cc2cc(OC)c(C)cc2O)CCN1CCOC ZINC000768464608 577276330 /nfs/dbraw/zinc/27/63/30/577276330.db2.gz CYKAWYRVTCORII-QGZVFWFLSA-N 0 3 336.476 2.642 20 10 EFCDHN CCOc1ccc(C[N@H+](C)C[C@@H](O)COCc2ccccc2)c([O-])c1 ZINC000769099279 577334272 /nfs/dbraw/zinc/33/42/72/577334272.db2.gz CIHOYMRMMFGPNE-GOSISDBHSA-N 0 3 345.439 2.800 20 10 EFCDHN CCOc1ccc(C[N@@H+](C)C[C@@H](O)COCc2ccccc2)c([O-])c1 ZINC000769099279 577334274 /nfs/dbraw/zinc/33/42/74/577334274.db2.gz CIHOYMRMMFGPNE-GOSISDBHSA-N 0 3 345.439 2.800 20 10 EFCDHN COc1cccc([O-])c1C[NH+]1CCC(NC(=O)c2ccsc2)CC1 ZINC000769101923 577334436 /nfs/dbraw/zinc/33/44/36/577334436.db2.gz JXRRXBOHHLGGOU-UHFFFAOYSA-N 0 3 346.452 2.857 20 10 EFCDHN CN(C)c1ccc(CN2CCC(CCN3CCOCC3)CC2)cc1F ZINC000769208468 577344655 /nfs/dbraw/zinc/34/46/55/577344655.db2.gz YCTRGLACUBKEEZ-UHFFFAOYSA-N 0 3 349.494 2.826 20 10 EFCDHN CNC(=O)CCCN(C)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000769505315 577368001 /nfs/dbraw/zinc/36/80/01/577368001.db2.gz DTRPZIQPTWZWMU-UHFFFAOYSA-N 0 3 348.447 2.543 20 10 EFCDHN CCOc1ccc(CN2CCC([C@@H](O)C(F)(F)F)CC2)c(O)c1 ZINC000769516087 577369377 /nfs/dbraw/zinc/36/93/77/577369377.db2.gz YOPITVFPNDOCKQ-OAHLLOKOSA-N 0 3 333.350 2.926 20 10 EFCDHN C[C@H]1C[N@H+](Cc2c([O-])cccc2Cl)CC[C@@H]1N1CCN(C)CC1 ZINC000769523440 577370023 /nfs/dbraw/zinc/37/00/23/577370023.db2.gz AAVOZXCYMOWYIG-YOEHRIQHSA-N 0 3 337.895 2.503 20 10 EFCDHN C[C@H]1C[N@@H+](Cc2c([O-])cccc2Cl)CC[C@@H]1N1CCN(C)CC1 ZINC000769523440 577370025 /nfs/dbraw/zinc/37/00/25/577370025.db2.gz AAVOZXCYMOWYIG-YOEHRIQHSA-N 0 3 337.895 2.503 20 10 EFCDHN C[C@@H](NCCO[C@@H]1CCCCO1)c1ccc(N2CCOCC2)cc1 ZINC000769787199 577384996 /nfs/dbraw/zinc/38/49/96/577384996.db2.gz PRHXDVOEXKUWDA-VQIMIIECSA-N 0 3 334.460 2.717 20 10 EFCDHN CCOc1ccc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)c([O-])c1 ZINC000770382919 577414109 /nfs/dbraw/zinc/41/41/09/577414109.db2.gz FQLIUXWEAPCUQB-FUHWJXTLSA-N 0 3 345.443 2.613 20 10 EFCDHN CCOc1ccc(C[N@H+]2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)c([O-])c1 ZINC000770382919 577414110 /nfs/dbraw/zinc/41/41/10/577414110.db2.gz FQLIUXWEAPCUQB-FUHWJXTLSA-N 0 3 345.443 2.613 20 10 EFCDHN Cc1ccc(C(=O)NCC2CC[NH+](CCC(C)C)CC2)c([O-])c1O ZINC000770506338 577422274 /nfs/dbraw/zinc/42/22/74/577422274.db2.gz QNANNIOCTJCIAF-UHFFFAOYSA-N 0 3 334.460 2.894 20 10 EFCDHN COCCN(C)CCNC(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC000726983164 577427515 /nfs/dbraw/zinc/42/75/15/577427515.db2.gz MZMMLZVWFNNGEY-UHFFFAOYSA-N 0 3 343.471 2.711 20 10 EFCDHN COCCN(C)CCNC(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC000726983570 577427577 /nfs/dbraw/zinc/42/75/77/577427577.db2.gz YFANEPBGPFACSY-UHFFFAOYSA-N 0 3 343.471 2.711 20 10 EFCDHN CN(C)c1ccc(CN(C)Cc2cccc(NS(C)(=O)=O)c2)cc1 ZINC000771935202 581261545 /nfs/dbraw/zinc/26/15/45/581261545.db2.gz ONNASKICRMVFER-UHFFFAOYSA-N 0 3 347.484 2.756 20 10 EFCDHN C[C@H](NC(=O)N[C@H]1CN(C2CC2)C[C@H]1C)c1ccc(N(C)C)cc1 ZINC000773394550 581426491 /nfs/dbraw/zinc/42/64/91/581426491.db2.gz ZXHMKSDOVIOZTA-GLJUWKHASA-N 0 3 330.476 2.596 20 10 EFCDHN C[C@@H](NC(=O)N(C)CC1CCN(C)CC1)c1ccc(N(C)C)cc1 ZINC000773610283 581450364 /nfs/dbraw/zinc/45/03/64/581450364.db2.gz HKBLJPRXCYOPTL-OAHLLOKOSA-N 0 3 332.492 2.797 20 10 EFCDHN CC[C@@H](C)N1C(=O)C[C@]2(CCC[N@H+](Cc3cc(F)ccc3[O-])C2)C1=O ZINC001273283917 1265476121 /nfs/dbraw/zinc/47/61/21/1265476121.db2.gz CBXSCKKUKJZJKH-YJYMSZOUSA-N 0 3 348.418 2.671 20 10 EFCDHN CC[C@@H](C)N1C(=O)C[C@]2(CCC[N@@H+](Cc3cc(F)ccc3[O-])C2)C1=O ZINC001273283917 1265476123 /nfs/dbraw/zinc/47/61/23/1265476123.db2.gz CBXSCKKUKJZJKH-YJYMSZOUSA-N 0 3 348.418 2.671 20 10 EFCDHN O=C1C[C@]2(CN1CC(F)F)CCCC[N@H+]2Cc1cc(F)ccc1[O-] ZINC001273285263 1265477269 /nfs/dbraw/zinc/47/72/69/1265477269.db2.gz OKLSNEMDBQVGEP-KRWDZBQOSA-N 0 3 342.361 2.753 20 10 EFCDHN O=C1C[C@]2(CN1CC(F)F)CCCC[N@@H+]2Cc1cc(F)ccc1[O-] ZINC001273285263 1265477275 /nfs/dbraw/zinc/47/72/75/1265477275.db2.gz OKLSNEMDBQVGEP-KRWDZBQOSA-N 0 3 342.361 2.753 20 10 EFCDHN O=C1C[C@@]2(CN1CC(F)F)CCCC[N@H+]2Cc1cc(F)ccc1[O-] ZINC001273285264 1265477505 /nfs/dbraw/zinc/47/75/05/1265477505.db2.gz OKLSNEMDBQVGEP-QGZVFWFLSA-N 0 3 342.361 2.753 20 10 EFCDHN O=C1C[C@@]2(CN1CC(F)F)CCCC[N@@H+]2Cc1cc(F)ccc1[O-] ZINC001273285264 1265477510 /nfs/dbraw/zinc/47/75/10/1265477510.db2.gz OKLSNEMDBQVGEP-QGZVFWFLSA-N 0 3 342.361 2.753 20 10 EFCDHN C[C@@H]1C[C@H]([NH2+]C2CCN([C@@H]3CCOC3)CC2)c2c1c(F)ccc2[O-] ZINC000850557756 1250535437 /nfs/dbraw/zinc/53/54/37/1250535437.db2.gz SDWBYCLMQHGQTN-XPKDYRNWSA-N 0 3 334.435 2.923 20 10 EFCDHN C[C@@H]1C[C@@H]([NH2+]C2CCN([C@H]3CCOC3)CC2)c2c1c(F)ccc2[O-] ZINC000850557750 1250535696 /nfs/dbraw/zinc/53/56/96/1250535696.db2.gz SDWBYCLMQHGQTN-IVMMDQJWSA-N 0 3 334.435 2.923 20 10 EFCDHN Cc1ncc([C@H](C)NCc2ccc(N3CCC(O)CC3)cc2)c(C)n1 ZINC000850565728 1250539730 /nfs/dbraw/zinc/53/97/30/1250539730.db2.gz HSXYXHHLSGGUOI-AWEZNQCLSA-N 0 3 340.471 2.905 20 10 EFCDHN CCCCN1C(=O)C[C@]2(CCC[N@H+](Cc3ccc(C)cc3[O-])C2)C1=O ZINC001272767141 1257726187 /nfs/dbraw/zinc/72/61/87/1257726187.db2.gz XIJRHNOSLFSKAO-FQEVSTJZSA-N 0 3 344.455 2.842 20 10 EFCDHN CCCCN1C(=O)C[C@]2(CCC[N@@H+](Cc3ccc(C)cc3[O-])C2)C1=O ZINC001272767141 1257726188 /nfs/dbraw/zinc/72/61/88/1257726188.db2.gz XIJRHNOSLFSKAO-FQEVSTJZSA-N 0 3 344.455 2.842 20 10 EFCDHN CN1CC[C@@]2(CCCN2Cc2ccc(N3CCCCC3)cc2)C1=O ZINC001273306943 1266249216 /nfs/dbraw/zinc/24/92/16/1266249216.db2.gz OHDLKHOORBLIGQ-FQEVSTJZSA-N 0 3 327.472 2.874 20 10 EFCDHN CC[C@@H](C)N1CCC2(CCN(Cc3ccc(O)c(O)c3)CC2)C1=O ZINC001272903024 1261294030 /nfs/dbraw/zinc/29/40/30/1261294030.db2.gz JUYLTEPLLWTEPD-CQSZACIVSA-N 0 3 332.444 2.711 20 10 EFCDHN COC(=O)[C@@H](C)Oc1ccccc1CNCc1cc(OC)ccc1O ZINC000921740512 1261321794 /nfs/dbraw/zinc/32/17/94/1261321794.db2.gz LOJGPXAPXVAFOQ-CYBMUJFWSA-N 0 3 345.395 2.631 20 10 EFCDHN CN(C)c1ccc(CN2CC[C@@H]3[C@H]2CCC(=O)N3CC(F)F)cc1 ZINC001272916459 1261326314 /nfs/dbraw/zinc/32/63/14/1261326314.db2.gz IPKWWJQVUYFYBL-HZPDHXFCSA-N 0 3 337.414 2.583 20 10 EFCDHN CCOc1ccc(C[NH2+]C[C@H]2CCCN2CC(F)(F)F)c([O-])c1 ZINC000922708923 1266631094 /nfs/dbraw/zinc/63/10/94/1266631094.db2.gz MVJRQJNRXYMMEV-CYBMUJFWSA-N 0 3 332.366 2.907 20 10 EFCDHN CC(C)(C)c1cccc(CN2C[C@](O)(C(F)(F)F)C[C@H]2CO)c1O ZINC001143103565 1264215493 /nfs/dbraw/zinc/21/54/93/1264215493.db2.gz FPASSIKLKDPRRD-LRDDRELGSA-N 0 3 347.377 2.550 20 10 EFCDHN CN(Cc1ccc(N2CCOCC2)c(F)c1)[C@@H](CO)c1ccccc1 ZINC000824696540 1278251531 /nfs/dbraw/zinc/25/15/31/1278251531.db2.gz OQHXEHKETRYHMK-FQEVSTJZSA-N 0 3 344.430 2.828 20 10 EFCDHN CO[C@@H]1COCC[C@H]1C[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000824709174 1278257726 /nfs/dbraw/zinc/25/77/26/1278257726.db2.gz OEQOQZCJIPZHRZ-SMDDNHRTSA-N 0 3 344.249 2.604 20 10 EFCDHN CC(=O)[C@H](C)N1CC[C@]2(CCCN2Cc2c(C)ccc(C)c2O)C1=O ZINC001273049164 1266788136 /nfs/dbraw/zinc/78/81/36/1266788136.db2.gz ONNVVPWLGAHYLO-MGPUTAFESA-N 0 3 344.455 2.553 20 10 EFCDHN CCN(CC)c1ccc(CNC(=O)N[C@H]2CCN(C3CC3)C2)cc1 ZINC000734274147 1266932923 /nfs/dbraw/zinc/93/29/23/1266932923.db2.gz NGBWTWXJWVMMCK-INIZCTEOSA-N 0 3 330.476 2.569 20 10 EFCDHN CCN(CC)c1ccc(CNC(=O)N[C@@H]2CCN(C3CC3)C2)cc1F ZINC000734276645 1266934059 /nfs/dbraw/zinc/93/40/59/1266934059.db2.gz GKAVQCMQPNUMAP-OAHLLOKOSA-N 0 3 348.466 2.708 20 10 EFCDHN CCN(CC)c1ccc(CN(C)C(=O)N[C@H]2CCN(C3CC3)C2)cc1 ZINC000734285174 1266938157 /nfs/dbraw/zinc/93/81/57/1266938157.db2.gz HJRNFJWNQNFMQX-KRWDZBQOSA-N 0 3 344.503 2.911 20 10 EFCDHN CO[C@H]1CCN(Cc2ccc(N3CCOCC3)c(F)c2)CC1(C)C ZINC000824821166 1278304915 /nfs/dbraw/zinc/30/49/15/1278304915.db2.gz VSXMQVPPDAEPNK-SFHVURJKSA-N 0 3 336.451 2.909 20 10 EFCDHN O=S1(=O)CC[C@@]2(C1)CCC[N@@H+](Cc1c([O-])ccc3ccccc31)C2 ZINC000824976828 1278374173 /nfs/dbraw/zinc/37/41/73/1278374173.db2.gz GITFYHKIKFMQPP-IBGZPJMESA-N 0 3 345.464 2.946 20 10 EFCDHN O=S1(=O)CC[C@@]2(C1)CCC[N@H+](Cc1c([O-])ccc3ccccc31)C2 ZINC000824976828 1278374184 /nfs/dbraw/zinc/37/41/84/1278374184.db2.gz GITFYHKIKFMQPP-IBGZPJMESA-N 0 3 345.464 2.946 20 10 EFCDHN O=S1(=O)CC[C@@]2(C1)CCCN(Cc1c(O)ccc3ccccc31)C2 ZINC000824976828 1278374194 /nfs/dbraw/zinc/37/41/94/1278374194.db2.gz GITFYHKIKFMQPP-IBGZPJMESA-N 0 3 345.464 2.946 20 10 EFCDHN C[C@H]([NH2+]Cc1cc(F)ccc1[O-])C(=O)N1c2ccccc2C[C@@H]1C ZINC000825113043 1278414632 /nfs/dbraw/zinc/41/46/32/1278414632.db2.gz YUDQSECCHVLCMM-STQMWFEESA-N 0 3 328.387 2.987 20 10 EFCDHN Cc1cc(C)c(CNCc2ccc(N3CCOCC3)c(F)c2)cn1 ZINC000825221647 1278468940 /nfs/dbraw/zinc/46/89/40/1278468940.db2.gz VGUNDZDTBBKNFN-UHFFFAOYSA-N 0 3 329.419 2.964 20 10 EFCDHN CN(C[C@@H]1CCN1CCC1CC1)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001085994212 1269449225 /nfs/dbraw/zinc/44/92/25/1269449225.db2.gz GARTXVCMFMNCEH-INIZCTEOSA-N 0 3 343.431 2.795 20 10 EFCDHN CC(C)=CCN1CC[C@@H](N(C)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001033699029 1269906159 /nfs/dbraw/zinc/90/61/59/1269906159.db2.gz IQPMHGUYFDFRLY-MRXNPFEDSA-N 0 3 343.431 2.962 20 10 EFCDHN C[C@@H]([NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1)c1ccc(F)cc1[O-] ZINC000702566418 1271493618 /nfs/dbraw/zinc/49/36/18/1271493618.db2.gz HJXVCYRPHNXLIY-QRWLVFNGSA-N 0 3 344.430 2.819 20 10 EFCDHN C[C@@H]([NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1)c1cc(F)ccc1[O-] ZINC000702566657 1271493840 /nfs/dbraw/zinc/49/38/40/1271493840.db2.gz MTAIQLHCVXGHQO-FOIQADDNSA-N 0 3 344.430 2.819 20 10 EFCDHN CCCN(C)CC(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 ZINC000746172811 1271851929 /nfs/dbraw/zinc/85/19/29/1271851929.db2.gz JEBHKRBBVHMLDE-IBGZPJMESA-N 0 3 347.503 2.602 20 10 EFCDHN COc1cc(Br)cc(C[NH2+]C2CCC(C)(O)CC2)c1[O-] ZINC000749297322 1272186417 /nfs/dbraw/zinc/18/64/17/1272186417.db2.gz YPWGXVCAFZXNDD-UHFFFAOYSA-N 0 3 344.249 2.947 20 10 EFCDHN CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(Br)cc1[O-])C2 ZINC001169111284 1272702838 /nfs/dbraw/zinc/70/28/38/1272702838.db2.gz OLGQAXAMZDBQSP-ZSOGYDGISA-N 0 3 325.250 2.870 20 10 EFCDHN [O-]c1cccc(Br)c1CN[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000706853902 1275053300 /nfs/dbraw/zinc/05/33/00/1275053300.db2.gz KUWNYGMTTCTJST-ZIAGYGMSSA-N 0 3 325.250 2.871 20 10 EFCDHN [O-]c1cccc(Br)c1CN[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000706853902 1275053310 /nfs/dbraw/zinc/05/33/10/1275053310.db2.gz KUWNYGMTTCTJST-ZIAGYGMSSA-N 0 3 325.250 2.871 20 10 EFCDHN [O-]c1cccc(Br)c1CN[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000706853901 1275053982 /nfs/dbraw/zinc/05/39/82/1275053982.db2.gz KUWNYGMTTCTJST-UONOGXRCSA-N 0 3 325.250 2.871 20 10 EFCDHN [O-]c1cccc(Br)c1CN[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000706853901 1275053983 /nfs/dbraw/zinc/05/39/83/1275053983.db2.gz KUWNYGMTTCTJST-UONOGXRCSA-N 0 3 325.250 2.871 20 10 EFCDHN COc1ccc(C[C@@H](C)[NH2+]Cc2ccc(O)cc2[O-])c([N+](=O)[O-])c1 ZINC001170306203 1278974747 /nfs/dbraw/zinc/97/47/47/1278974747.db2.gz RSCSQJCKOYTKIQ-LLVKDONJSA-N 0 3 332.356 2.735 20 10 EFCDHN COC(=O)[C@H]1CC[N@H+](Cc2c([O-])ccc3ccc(OC)cc32)[C@@H]1C ZINC000787239936 1275730991 /nfs/dbraw/zinc/73/09/91/1275730991.db2.gz PKLZTFCMPWSMQO-DOMZBBRYSA-N 0 3 329.396 2.937 20 10 EFCDHN COC(=O)[C@H]1CC[N@@H+](Cc2c([O-])ccc3ccc(OC)cc32)[C@@H]1C ZINC000787239936 1275730997 /nfs/dbraw/zinc/73/09/97/1275730997.db2.gz PKLZTFCMPWSMQO-DOMZBBRYSA-N 0 3 329.396 2.937 20 10 EFCDHN C[C@H](NCc1ccc(N2CCSCC2)cc1)c1cnccc1N ZINC000817888402 1276347993 /nfs/dbraw/zinc/34/79/93/1276347993.db2.gz LDZNKRLGSUIFTP-AWEZNQCLSA-N 0 3 328.485 2.898 20 10 EFCDHN C[C@@H](N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cc(Br)cc(Cl)c1[O-] ZINC000817977658 1276417034 /nfs/dbraw/zinc/41/70/34/1276417034.db2.gz NKGJXCMTPDDUDF-XUJCCDQDSA-N 0 3 331.641 2.677 20 10 EFCDHN C[C@H](CNCc1ccc(N(C)C2CCCCC2)cc1)S(C)(=O)=O ZINC000818980811 1276562876 /nfs/dbraw/zinc/56/28/76/1276562876.db2.gz OHISYJODVHDKQY-OAHLLOKOSA-N 0 3 338.517 2.978 20 10 EFCDHN O=S(=O)(CCNCCCSc1nccs1)c1ccccc1 ZINC000819063398 1276612425 /nfs/dbraw/zinc/61/24/25/1276612425.db2.gz MMTPLZRHPCJQJY-UHFFFAOYSA-N 0 3 342.511 2.689 20 10 EFCDHN CCCN1CCC[C@@H]1C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819582456 1276824596 /nfs/dbraw/zinc/82/45/96/1276824596.db2.gz MBWONVLVSRHRSS-QFBILLFUSA-N 0 3 345.487 2.512 20 10 EFCDHN CCCN1CCC[C@@H]1C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819582458 1276825409 /nfs/dbraw/zinc/82/54/09/1276825409.db2.gz MBWONVLVSRHRSS-VQIMIIECSA-N 0 3 345.487 2.512 20 10 EFCDHN C[NH+](C)CCCOc1ccc(NC(=O)c2cccc(O)c2[O-])cc1 ZINC000790906895 1277863145 /nfs/dbraw/zinc/86/31/45/1277863145.db2.gz HMGWFLMPHZVTOQ-UHFFFAOYSA-N 0 3 330.384 2.681 20 10 EFCDHN CCOc1ccc(C[NH2+]Cc2cccc(N3CCOCC3)c2)c([O-])c1 ZINC000815141785 1287343426 /nfs/dbraw/zinc/34/34/26/1287343426.db2.gz HIEXSUZSHMGAEW-UHFFFAOYSA-N 0 3 342.439 2.917 20 10 EFCDHN COc1cc(Br)cc(C[NH2+]CCN2CC=CCC2)c1[O-] ZINC000793318398 1279541273 /nfs/dbraw/zinc/54/12/73/1279541273.db2.gz HBNHMKKHKJNKBN-UHFFFAOYSA-N 0 3 341.249 2.515 20 10 EFCDHN CCOC(=O)C(F)(F)[C@H]1CC[C@@H]([NH2+]Cc2ccc(OC)cc2[O-])C1 ZINC000793388570 1279616896 /nfs/dbraw/zinc/61/68/96/1279616896.db2.gz PSJFSBFGKOJVLD-QWHCGFSZSA-N 0 3 343.370 2.858 20 10 EFCDHN Cc1cc([C@H](C)N[C@H](C)c2ccc(N3CCOCC3)cc2)n(C)n1 ZINC000793524728 1279716997 /nfs/dbraw/zinc/71/69/97/1279716997.db2.gz HPKXVWWNEQWXAT-CVEARBPZSA-N 0 3 328.460 2.977 20 10 EFCDHN COc1ccc(N(C)CCN(C)Cc2ccc(OC)c(O)c2)cc1 ZINC000846051334 1280001383 /nfs/dbraw/zinc/00/13/83/1280001383.db2.gz CNLOMMDCYVWKLI-UHFFFAOYSA-N 0 3 330.428 2.978 20 10 EFCDHN COc1cccc([C@H](C)N[C@H]2CCN(c3ccccc3)C2=O)c1O ZINC000846148511 1280037209 /nfs/dbraw/zinc/03/72/09/1280037209.db2.gz FUCJOIDZZOAKNN-BBRMVZONSA-N 0 3 326.396 2.857 20 10 EFCDHN COc1cccc([C@@H](C)NCc2ccc(S(C)(=O)=O)s2)c1O ZINC000846163201 1280044569 /nfs/dbraw/zinc/04/45/69/1280044569.db2.gz GIFQYJBPLDFWCG-SNVBAGLBSA-N 0 3 341.454 2.717 20 10 EFCDHN COc1cccc([C@@H](C)N[C@@H](C)C(=O)NCCc2ccccc2)c1O ZINC000846169786 1280046856 /nfs/dbraw/zinc/04/68/56/1280046856.db2.gz UDBZNOSNRSVLEK-CABCVRRESA-N 0 3 342.439 2.799 20 10 EFCDHN CN(C)c1ccccc1C[N@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000808235657 1281616518 /nfs/dbraw/zinc/61/65/18/1281616518.db2.gz BAAHTRDZZGHLFI-GOSISDBHSA-N 0 3 328.412 2.516 20 10 EFCDHN CN(C)c1ccccc1C[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000808235657 1281616528 /nfs/dbraw/zinc/61/65/28/1281616528.db2.gz BAAHTRDZZGHLFI-GOSISDBHSA-N 0 3 328.412 2.516 20 10 EFCDHN Cn1cnc(CN[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 ZINC000808391651 1281699943 /nfs/dbraw/zinc/69/99/43/1281699943.db2.gz PIAZFLVDBHSXRE-ZDUSSCGKSA-N 0 3 336.386 2.780 20 10 EFCDHN CCOc1ccc(C[NH2+][C@@H]2CCC[C@H]3CN(C(C)=O)C[C@H]32)c([O-])c1 ZINC000808448204 1281714887 /nfs/dbraw/zinc/71/48/87/1281714887.db2.gz ZLENQGJKIUOKGB-CGTJXYLNSA-N 0 3 332.444 2.528 20 10 EFCDHN CCNC(=O)N1CC[C@H]([NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])C1 ZINC000808706720 1281868211 /nfs/dbraw/zinc/86/82/11/1281868211.db2.gz RWDRXZITOZLNEI-AAEUAGOBSA-N 0 3 325.840 2.808 20 10 EFCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CC2(OCCO)CCOCC2)c1[O-] ZINC000808718468 1281871838 /nfs/dbraw/zinc/87/18/38/1281871838.db2.gz UPSUNPJINXCPJM-ZDUSSCGKSA-N 0 3 343.851 2.563 20 10 EFCDHN COc1ccc(N2CCC(N[C@@H](c3nncn3C)C(C)C)CC2)cc1 ZINC000809691613 1282375549 /nfs/dbraw/zinc/37/55/49/1282375549.db2.gz KQSNXXUUXDICQV-GOSISDBHSA-N 0 3 343.475 2.779 20 10 EFCDHN CCN1CCN(Cc2cc(Br)cc(C)c2O)[C@H](C)C1 ZINC000809697155 1282380378 /nfs/dbraw/zinc/38/03/78/1282380378.db2.gz CMFXZNZKZSZOJS-GFCCVEGCSA-N 0 3 327.266 2.989 20 10 EFCDHN CCCC[C@H](C)N(C)CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000810124446 1282905842 /nfs/dbraw/zinc/90/58/42/1282905842.db2.gz GFWRUILKQSIOEP-KRWDZBQOSA-N 0 3 347.503 2.854 20 10 EFCDHN COCC[C@H]1COCCN1Cc1c(O)ccc2ccc(OC)cc21 ZINC000812299955 1285064065 /nfs/dbraw/zinc/06/40/65/1285064065.db2.gz ROXKNNTUQGUJND-HNNXBMFYSA-N 0 3 331.412 2.791 20 10 EFCDHN CN(C)c1ccc(CN[C@@H]2CC(=O)N(c3ccccc3F)C2)cc1 ZINC000812782447 1285415134 /nfs/dbraw/zinc/41/51/34/1285415134.db2.gz UDJKZMONGHLOAS-OAHLLOKOSA-N 0 3 327.403 2.787 20 10 EFCDHN Cc1cc([O-])c(CN2C[C@@H]([NH3+])CC(F)(F)C2)cc1Br ZINC001206144995 1285697552 /nfs/dbraw/zinc/69/75/52/1285697552.db2.gz BSVRWYNTSNZJDE-JTQLQIEISA-N 0 3 335.192 2.631 20 10 EFCDHN COc1ccc(O)c([C@H](C)NCc2cnc(C3OCCO3)s2)c1 ZINC000813330762 1285814058 /nfs/dbraw/zinc/81/40/58/1285814058.db2.gz GVUXKJCZVBDMHD-JTQLQIEISA-N 0 3 336.413 2.754 20 10 EFCDHN O=C(c1cccc(O)c1[O-])N(CC[NH+]1CCCCCC1)C1CCC1 ZINC000813635996 1286032965 /nfs/dbraw/zinc/03/29/65/1286032965.db2.gz BJELEMVPBZKBDM-UHFFFAOYSA-N 0 3 332.444 2.969 20 10 EFCDHN CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1C[NH2+]Cc1cc(F)ccc1[O-] ZINC000814172357 1286356426 /nfs/dbraw/zinc/35/64/26/1286356426.db2.gz JXLRMERLDJNZMH-KBPBESRZSA-N 0 3 342.386 2.968 20 10 EFCDHN Cc1cnccc1Nc1cc(I)ccc1O ZINC001174538212 1287038164 /nfs/dbraw/zinc/03/81/64/1287038164.db2.gz ADLHXTWPVGQBRA-UHFFFAOYSA-N 0 3 326.137 2.866 20 10 EFCDHN CN(C)CC[N@@H+](Cc1cc(Cl)c(F)cc1[O-])C[C@@H]1CCCO1 ZINC000816610720 1288225291 /nfs/dbraw/zinc/22/52/91/1288225291.db2.gz VWZLORAZXCBBKS-ZDUSSCGKSA-N 0 3 330.831 2.727 20 10 EFCDHN CN(C)CC[N@H+](Cc1cc(Cl)c(F)cc1[O-])C[C@@H]1CCCO1 ZINC000816610720 1288225293 /nfs/dbraw/zinc/22/52/93/1288225293.db2.gz VWZLORAZXCBBKS-ZDUSSCGKSA-N 0 3 330.831 2.727 20 10 EFCDHN CNS(=O)(=O)c1ccc(CN[C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000851949502 1299480471 /nfs/dbraw/zinc/48/04/71/1299480471.db2.gz FTPVTHIWKJLKTE-CQSZACIVSA-N 0 3 347.484 2.512 20 10 EFCDHN Cc1cc(Br)cc(C[N@@H+]2C[C@@H](C)C[C@H](CO)C2)c1[O-] ZINC000817411980 1288590593 /nfs/dbraw/zinc/59/05/93/1288590593.db2.gz ALQVXVHUSGZNSA-JQWIXIFHSA-N 0 3 328.250 2.913 20 10 EFCDHN Cc1cc(Br)cc(C[N@H+]2C[C@@H](C)C[C@H](CO)C2)c1[O-] ZINC000817411980 1288590594 /nfs/dbraw/zinc/59/05/94/1288590594.db2.gz ALQVXVHUSGZNSA-JQWIXIFHSA-N 0 3 328.250 2.913 20 10 EFCDHN COc1cc(Br)cc(CN2C[C@H](C)C[C@H](CO)C2)c1O ZINC000817412549 1288592099 /nfs/dbraw/zinc/59/20/99/1288592099.db2.gz MLNNKAMNAQGANH-MNOVXSKESA-N 0 3 344.249 2.614 20 10 EFCDHN COc1cc(Cl)cc(C[NH2+][C@@H](C)C2(OC)CCOCC2)c1[O-] ZINC000817420672 1288595212 /nfs/dbraw/zinc/59/52/12/1288595212.db2.gz XFYQYVMYQXZAKL-NSHDSACASA-N 0 3 329.824 2.728 20 10 EFCDHN COC(=O)c1c(CN2CC[C@@H]3OCCC[C@@H]3C2)c2ccccc2n1C ZINC001232401652 1312694161 /nfs/dbraw/zinc/69/41/61/1312694161.db2.gz ANCRZVBVTHGREV-KDOFPFPSSA-N 0 3 342.439 2.966 20 10 EFCDHN COC(=O)c1c(CN2CC[C@H]3OCC[C@@H]3C2)c2ccccc2n1C ZINC001232405571 1312695480 /nfs/dbraw/zinc/69/54/80/1312695480.db2.gz MXJBQNLLKQVVOF-CXAGYDPISA-N 0 3 328.412 2.576 20 10 EFCDHN COC(=O)c1c(CN2C[C@@H]3C(=O)CCC[C@@H]3C2)c2ccccc2n1C ZINC001232410821 1312697322 /nfs/dbraw/zinc/69/73/22/1312697322.db2.gz TYCMQHLKZXGLTL-HIFRSBDPSA-N 0 3 340.423 2.766 20 10 EFCDHN COc1cc(CN2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)c(O)c(C(C)(C)C)c1 ZINC000825658720 1289603134 /nfs/dbraw/zinc/60/31/34/1289603134.db2.gz SGOUNMDZSCJTDN-NUTKFTJISA-N 0 3 346.471 2.784 20 10 EFCDHN COc1ccc(C[NH2+]C[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c([O-])c1 ZINC000824321193 1289606143 /nfs/dbraw/zinc/60/61/43/1289606143.db2.gz PUNJVTWMJOWFGL-CYBMUJFWSA-N 0 3 349.452 2.698 20 10 EFCDHN [O-]c1cccc2c1[C@@H]([NH2+][C@H]1CCc3ncc(Br)n3C1)CC2 ZINC000903481117 1312747603 /nfs/dbraw/zinc/74/76/03/1312747603.db2.gz VICSSEFVHMATIS-RYUDHWBXSA-N 0 3 348.244 2.943 20 10 EFCDHN Cc1ccc(C[NH+]2CCC(C(=O)NCC(F)(F)F)CC2)c([O-])c1 ZINC000876611992 1290954655 /nfs/dbraw/zinc/95/46/55/1290954655.db2.gz YPXPPNAFVVVQRC-UHFFFAOYSA-N 0 3 330.350 2.591 20 10 EFCDHN CC(C)CC[C@H](N)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000876731172 1290993706 /nfs/dbraw/zinc/99/37/06/1290993706.db2.gz PGPHSZXXLLMSHV-KRWDZBQOSA-N 0 3 335.517 2.620 20 10 EFCDHN Cc1ccc([C@H](C[NH2+]Cc2c(C)cccc2[O-])N2CCOCC2)o1 ZINC000876903393 1291066293 /nfs/dbraw/zinc/06/62/93/1291066293.db2.gz NBSGOAONFYRHPI-KRWDZBQOSA-N 0 3 330.428 2.765 20 10 EFCDHN Cc1ccc(C[NH2+]C[C@@H](O)c2cc(Cl)c3c(c2)OCCO3)c([O-])c1 ZINC000877047771 1291115987 /nfs/dbraw/zinc/11/59/87/1291115987.db2.gz FKLAVEYSFGFZPY-MRXNPFEDSA-N 0 3 349.814 2.948 20 10 EFCDHN Cc1cccc([O-])c1C[NH2+]CCNc1nccc(C(F)(F)F)n1 ZINC000877054816 1291119276 /nfs/dbraw/zinc/11/92/76/1291119276.db2.gz LEPKRKHHFPDTNS-UHFFFAOYSA-N 0 3 326.322 2.711 20 10 EFCDHN COc1cc(C[C@@H](CO)C[NH2+]Cc2c(C)cccc2[O-])cc(OC)c1 ZINC000877077087 1291126372 /nfs/dbraw/zinc/12/63/72/1291126372.db2.gz WKZLDAIGDBVIBT-MRXNPFEDSA-N 0 3 345.439 2.659 20 10 EFCDHN CCc1nnc(NC(=O)[C@@H](C)[C@H](C)[NH2+]Cc2c(C)cccc2[O-])s1 ZINC000877522341 1291258601 /nfs/dbraw/zinc/25/86/01/1291258601.db2.gz CYAMXXVENUOFGR-RYUDHWBXSA-N 0 3 348.472 2.867 20 10 EFCDHN Cc1cc(N(C)C)ccc1CNC[C@@H](n1cncn1)C(F)(F)F ZINC000877675266 1291325302 /nfs/dbraw/zinc/32/53/02/1291325302.db2.gz PTVBVEGIEPUSQB-CQSZACIVSA-N 0 3 327.354 2.546 20 10 EFCDHN CCCN(C(=O)NCc1ccc2c(c1)CCCN2C)[C@@H]1CCN(C)C1 ZINC000826020987 1291481895 /nfs/dbraw/zinc/48/18/95/1291481895.db2.gz ZRRQVEHYTSJOOE-GOSISDBHSA-N 0 3 344.503 2.695 20 10 EFCDHN COc1cc([O-])c(CN(C)CC[NH+]2CCCC2)cc1Br ZINC001233140378 1312864691 /nfs/dbraw/zinc/86/46/91/1312864691.db2.gz HJGRNRKHHXECKE-UHFFFAOYSA-N 0 3 343.265 2.691 20 10 EFCDHN CCOC(=O)c1c(CN2CCC[C@H](C)[C@@H]2CO)c2ccccc2n1C ZINC001233270560 1312890601 /nfs/dbraw/zinc/89/06/01/1312890601.db2.gz RPKQSAARYZZOGB-KSSFIOAISA-N 0 3 344.455 2.948 20 10 EFCDHN CCOC(=O)c1c(CN(CC)CCC(=O)OC)c2ccccc2n1C ZINC001233272995 1312890791 /nfs/dbraw/zinc/89/07/91/1312890791.db2.gz KDCFYISQXVDJER-UHFFFAOYSA-N 0 3 346.427 2.740 20 10 EFCDHN CCOC(=O)c1c(CN(C)CCC2OCCO2)c2ccccc2n1C ZINC001233273186 1312890908 /nfs/dbraw/zinc/89/09/08/1312890908.db2.gz RBKVFAYBYPKSDK-UHFFFAOYSA-N 0 3 346.427 2.550 20 10 EFCDHN COc1cc(Cl)cc(CN2CCC3(CCCC(=O)N3)CC2)c1O ZINC001233289406 1312896198 /nfs/dbraw/zinc/89/61/98/1312896198.db2.gz VJZLZVXSCDOTDL-UHFFFAOYSA-N 0 3 338.835 2.689 20 10 EFCDHN COc1cc(Cl)cc(C[N@H+](C)[C@@H]2CCC3(C2)OCCO3)c1[O-] ZINC001233290820 1312896254 /nfs/dbraw/zinc/89/62/54/1312896254.db2.gz YBZVZPUOFMEBHB-CYBMUJFWSA-N 0 3 327.808 2.782 20 10 EFCDHN COc1cc(Cl)cc(C[N@@H+](C)[C@@H]2CCC3(C2)OCCO3)c1[O-] ZINC001233290820 1312896261 /nfs/dbraw/zinc/89/62/61/1312896261.db2.gz YBZVZPUOFMEBHB-CYBMUJFWSA-N 0 3 327.808 2.782 20 10 EFCDHN COC(=O)[C@H]1C[C@@H](C)CN(Cc2cc(Cl)cc(OC)c2O)C1 ZINC001233290137 1312896884 /nfs/dbraw/zinc/89/68/84/1312896884.db2.gz LIIJEYHGQWHMLK-PWSUYJOCSA-N 0 3 327.808 2.685 20 10 EFCDHN COC(=O)[C@H]1C[C@@H](C)C[N@H+](Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC001233290137 1312896888 /nfs/dbraw/zinc/89/68/88/1312896888.db2.gz LIIJEYHGQWHMLK-PWSUYJOCSA-N 0 3 327.808 2.685 20 10 EFCDHN COC(=O)[C@H]1C[C@@H](C)C[N@@H+](Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC001233290137 1312896892 /nfs/dbraw/zinc/89/68/92/1312896892.db2.gz LIIJEYHGQWHMLK-PWSUYJOCSA-N 0 3 327.808 2.685 20 10 EFCDHN C[C@H](NCc1cnc(N2CCCC2)nc1)c1ccc(N(C)C)cc1 ZINC000775361925 1292032792 /nfs/dbraw/zinc/03/27/92/1292032792.db2.gz GTOKGRZLTUZDAH-HNNXBMFYSA-N 0 3 325.460 2.994 20 10 EFCDHN C[C@@H](NCc1cnc(N2CCOCC2)s1)c1ccc(N(C)C)cc1 ZINC000775363167 1292035596 /nfs/dbraw/zinc/03/55/96/1292035596.db2.gz KWJVLKGGHHHGGD-CQSZACIVSA-N 0 3 346.500 2.897 20 10 EFCDHN COc1ccc(N2CCN(CCCc3ccncc3)CC2)c(OC)c1 ZINC000879463271 1292145854 /nfs/dbraw/zinc/14/58/54/1292145854.db2.gz SYVFDIZWLTURLD-UHFFFAOYSA-N 0 3 341.455 2.854 20 10 EFCDHN C[C@@H]([NH2+]CCN(Cc1ccccc1)S(C)(=O)=O)c1ccccc1[O-] ZINC000879649436 1292217697 /nfs/dbraw/zinc/21/76/97/1292217697.db2.gz SXSRYSWGHTWYQK-OAHLLOKOSA-N 0 3 348.468 2.505 20 10 EFCDHN C[C@@H]([NH2+][C@H](C)c1ccccc1[O-])C(=O)NC(=O)NC1CCCCC1 ZINC000879648420 1292217878 /nfs/dbraw/zinc/21/78/78/1292217878.db2.gz OFCFLQXDRAPDDW-CHWSQXEVSA-N 0 3 333.432 2.590 20 10 EFCDHN C[C@@H]([NH2+]CC(=O)NCCO[C@@H]1CCCC[C@H]1C)c1ccccc1[O-] ZINC000879648223 1292218619 /nfs/dbraw/zinc/21/86/19/1292218619.db2.gz FKRQIHGIXHAVRN-IIDMSEBBSA-N 0 3 334.460 2.754 20 10 EFCDHN COc1cccc(S(=O)(=O)CC[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000879649810 1292220135 /nfs/dbraw/zinc/22/01/35/1292220135.db2.gz VBUQZKAYMODKPF-CYBMUJFWSA-N 0 3 335.425 2.525 20 10 EFCDHN COc1cccc(S(=O)(=O)CCN[C@H](C)c2ccccc2O)c1 ZINC000879649810 1292220145 /nfs/dbraw/zinc/22/01/45/1292220145.db2.gz VBUQZKAYMODKPF-CYBMUJFWSA-N 0 3 335.425 2.525 20 10 EFCDHN COc1cccc(CNC(=O)[C@@H](C)[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000879649826 1292220521 /nfs/dbraw/zinc/22/05/21/1292220521.db2.gz VWHOSZZWXKRTLD-ZIAGYGMSSA-N 0 3 328.412 2.756 20 10 EFCDHN CCOC(=O)[C@@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2[O-])CCS1 ZINC001233419094 1312928902 /nfs/dbraw/zinc/92/89/02/1312928902.db2.gz JCWJSBFZFFXQQV-LBPRGKRZSA-N 0 3 349.374 2.892 20 10 EFCDHN CCOC(=O)[C@@H]1C[N@@H+](Cc2cccc(C(F)(F)F)c2[O-])CCS1 ZINC001233419094 1312928905 /nfs/dbraw/zinc/92/89/05/1312928905.db2.gz JCWJSBFZFFXQQV-LBPRGKRZSA-N 0 3 349.374 2.892 20 10 EFCDHN Oc1cc(O)c(CN2CCC(Oc3ccc(F)cc3)CC2)cc1O ZINC001233485244 1312939325 /nfs/dbraw/zinc/93/93/25/1312939325.db2.gz OBHUOTZLJXHNDL-UHFFFAOYSA-N 0 3 333.359 2.986 20 10 EFCDHN Oc1cc(O)c(CN2CCC(OCc3ccccc3)CC2)cc1O ZINC001233485360 1312939533 /nfs/dbraw/zinc/93/95/33/1312939533.db2.gz SCWIQNAYEQVKEL-UHFFFAOYSA-N 0 3 329.396 2.985 20 10 EFCDHN CC[C@H]1CN(Cc2ccccc2)CCN1Cc1cc(O)c(O)cc1O ZINC001233487096 1312940364 /nfs/dbraw/zinc/94/03/64/1312940364.db2.gz PEXVKPNHCPJFPM-KRWDZBQOSA-N 0 3 342.439 2.900 20 10 EFCDHN COC[C@@H](C)N(Cc1cccc(OC)c1)Cc1cc(O)c(O)cc1O ZINC001233486403 1312940681 /nfs/dbraw/zinc/94/06/81/1312940681.db2.gz LXKAXHZIIWDMHX-CYBMUJFWSA-N 0 3 347.411 2.849 20 10 EFCDHN CCOC(=O)C1(C(C)C)CCN(Cc2cc(O)c(O)cc2O)CC1 ZINC001233486931 1312940715 /nfs/dbraw/zinc/94/07/15/1312940715.db2.gz IRNTZTQSTWFAGY-UHFFFAOYSA-N 0 3 337.416 2.605 20 10 EFCDHN CC[C@H]([NH2+]CCCN1CCC(O)CC1)c1cc(Cl)ccc1[O-] ZINC000775490335 1292707581 /nfs/dbraw/zinc/70/75/81/1292707581.db2.gz WDGLMRYCHCCPGN-INIZCTEOSA-N 0 3 326.868 2.933 20 10 EFCDHN CC[C@@H]([NH2+][C@H](C)CN1CCN(C)CC1)c1cc(Cl)ccc1[O-] ZINC000775500911 1292783308 /nfs/dbraw/zinc/78/33/08/1292783308.db2.gz AUMQZYBLTOLXNL-CZUORRHYSA-N 0 3 325.884 2.722 20 10 EFCDHN O=C(c1cccc(F)c1)N1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1[O-])C2 ZINC001203553002 1312955283 /nfs/dbraw/zinc/95/52/83/1312955283.db2.gz XVFLDWYUHJTWHF-KSSFIOAISA-N 0 3 340.398 2.878 20 10 EFCDHN O=C(c1cccc(F)c1)N1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1[O-])C2 ZINC001203553002 1312955285 /nfs/dbraw/zinc/95/52/85/1312955285.db2.gz XVFLDWYUHJTWHF-KSSFIOAISA-N 0 3 340.398 2.878 20 10 EFCDHN [O-]c1ccccc1C[N@@H+]1C[C@H](Oc2ccccn2)[C@H]2OCCC[C@H]21 ZINC001203552884 1312954108 /nfs/dbraw/zinc/95/41/08/1312954108.db2.gz UJLDLSYHHZZEOR-AYBZRNKSSA-N 0 3 326.396 2.598 20 10 EFCDHN [O-]c1ccccc1C[N@H+]1C[C@H](Oc2ccccn2)[C@H]2OCCC[C@H]21 ZINC001203552884 1312954110 /nfs/dbraw/zinc/95/41/10/1312954110.db2.gz UJLDLSYHHZZEOR-AYBZRNKSSA-N 0 3 326.396 2.598 20 10 EFCDHN Oc1ccccc1CN1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@@H]21 ZINC001203552599 1312954150 /nfs/dbraw/zinc/95/41/50/1312954150.db2.gz OOUWLCOPJGGPTI-VDZJLULYSA-N 0 3 340.423 2.846 20 10 EFCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@@]2(C[C@H](Oc3ccccn3)CO2)C1 ZINC001203552129 1312954161 /nfs/dbraw/zinc/95/41/61/1312954161.db2.gz BOZDXFCVHUUGDA-FXAWDEMLSA-N 0 3 340.423 2.990 20 10 EFCDHN [O-]c1ccccc1C[N@H+]1CCC[C@@]2(C[C@H](Oc3ccccn3)CO2)C1 ZINC001203552129 1312954164 /nfs/dbraw/zinc/95/41/64/1312954164.db2.gz BOZDXFCVHUUGDA-FXAWDEMLSA-N 0 3 340.423 2.990 20 10 EFCDHN [O-]c1ccccc1C[N@@H+]1C[C@H](Oc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001203551307 1312954224 /nfs/dbraw/zinc/95/42/24/1312954224.db2.gz BQYFATWVYDNYEG-WDSOQIARSA-N 0 3 326.396 2.598 20 10 EFCDHN [O-]c1ccccc1C[N@H+]1C[C@H](Oc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001203551307 1312954228 /nfs/dbraw/zinc/95/42/28/1312954228.db2.gz BQYFATWVYDNYEG-WDSOQIARSA-N 0 3 326.396 2.598 20 10 EFCDHN [O-]c1ccccc1C[N@@H+]1CC[C@]2(C[C@H](Oc3ccccn3)CO2)C1 ZINC001203552483 1312954273 /nfs/dbraw/zinc/95/42/73/1312954273.db2.gz MQDZDEQIDBGBIS-LPHOPBHVSA-N 0 3 326.396 2.600 20 10 EFCDHN [O-]c1ccccc1C[N@H+]1CC[C@]2(C[C@H](Oc3ccccn3)CO2)C1 ZINC001203552483 1312954278 /nfs/dbraw/zinc/95/42/78/1312954278.db2.gz MQDZDEQIDBGBIS-LPHOPBHVSA-N 0 3 326.396 2.600 20 10 EFCDHN [O-]c1ccccc1C[N@@H+]1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC001203552488 1312954620 /nfs/dbraw/zinc/95/46/20/1312954620.db2.gz MRMZHBSFEOALMO-MJGOQNOKSA-N 0 3 326.396 2.600 20 10 EFCDHN [O-]c1ccccc1C[N@H+]1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC001203552488 1312954622 /nfs/dbraw/zinc/95/46/22/1312954622.db2.gz MRMZHBSFEOALMO-MJGOQNOKSA-N 0 3 326.396 2.600 20 10 EFCDHN [O-]c1ccccc1C[NH+]1CCC2(C[C@@H](Oc3cccnc3)CO2)CC1 ZINC001203551478 1312954629 /nfs/dbraw/zinc/95/46/29/1312954629.db2.gz FIZLNFXUMMUPJM-GOSISDBHSA-N 0 3 340.423 2.990 20 10 EFCDHN O=C1NC[C@H](c2ccccc2)C12CC[NH+](Cc1ccccc1[O-])CC2 ZINC001203552990 1312954901 /nfs/dbraw/zinc/95/49/01/1312954901.db2.gz XRGWOIIUTOFJGO-GOSISDBHSA-N 0 3 336.435 2.888 20 10 EFCDHN O=C(N[C@@H]1CCCN(Cc2ccccc2O)C1)c1ccccc1F ZINC001203561355 1312956296 /nfs/dbraw/zinc/95/62/96/1312956296.db2.gz RWNDFNKAJBLOHB-OAHLLOKOSA-N 0 3 328.387 2.926 20 10 EFCDHN COc1cccc(CN2CC[C@H]3CN(C(=O)OC(C)(C)C)[C@H]3C2)c1O ZINC001203590480 1312964937 /nfs/dbraw/zinc/96/49/37/1312964937.db2.gz ZCYKVIXAKWDGSY-ZFWWWQNUSA-N 0 3 348.443 2.842 20 10 EFCDHN COc1cccc(CN2C[C@H]3CN(C(=O)OC(C)(C)C)CC[C@H]32)c1O ZINC001203590283 1312965496 /nfs/dbraw/zinc/96/54/96/1312965496.db2.gz VSVKKGQKZOXBNN-HUUCEWRRSA-N 0 3 348.443 2.842 20 10 EFCDHN CCOc1cccc(CN2CCC(Oc3ncncc3C)CC2)c1O ZINC001203616986 1312972375 /nfs/dbraw/zinc/97/23/75/1312972375.db2.gz DLZPHXHIXDLCOM-UHFFFAOYSA-N 0 3 343.427 2.933 20 10 EFCDHN COc1ccc(CN2C[C@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]32)c(O)c1 ZINC001203621880 1312973056 /nfs/dbraw/zinc/97/30/56/1312973056.db2.gz JGLLKJZTFMYQCB-ZBFHGGJFSA-N 0 3 348.443 2.842 20 10 EFCDHN COc1ccc(C[N@@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]32)c([O-])c1 ZINC001203621880 1312973058 /nfs/dbraw/zinc/97/30/58/1312973058.db2.gz JGLLKJZTFMYQCB-ZBFHGGJFSA-N 0 3 348.443 2.842 20 10 EFCDHN COc1ccc(C[N@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]32)c([O-])c1 ZINC001203621880 1312973062 /nfs/dbraw/zinc/97/30/62/1312973062.db2.gz JGLLKJZTFMYQCB-ZBFHGGJFSA-N 0 3 348.443 2.842 20 10 EFCDHN COc1ccc(C[N@@H+]2CCC3(CN(C(=O)OC(C)(C)C)C3)C2)c([O-])c1 ZINC001203621683 1312973477 /nfs/dbraw/zinc/97/34/77/1312973477.db2.gz GNCXTYIXIDBXAR-UHFFFAOYSA-N 0 3 348.443 2.844 20 10 EFCDHN COc1ccc(C[N@H+]2CCC3(CN(C(=O)OC(C)(C)C)C3)C2)c([O-])c1 ZINC001203621683 1312973480 /nfs/dbraw/zinc/97/34/80/1312973480.db2.gz GNCXTYIXIDBXAR-UHFFFAOYSA-N 0 3 348.443 2.844 20 10 EFCDHN COc1ccc(C[N@@H+]2C[C@H]3CN(c4ccsc4)C(=O)[C@H]3C2)c([O-])c1 ZINC001203628842 1312975394 /nfs/dbraw/zinc/97/53/94/1312975394.db2.gz HAGBIWRQHOXOSJ-BBRMVZONSA-N 0 3 344.436 2.557 20 10 EFCDHN COc1ccc(C[N@H+]2C[C@H]3CN(c4ccsc4)C(=O)[C@H]3C2)c([O-])c1 ZINC001203628842 1312975399 /nfs/dbraw/zinc/97/53/99/1312975399.db2.gz HAGBIWRQHOXOSJ-BBRMVZONSA-N 0 3 344.436 2.557 20 10 EFCDHN COC[C@H]1COCCC12CC[NH+](Cc1ccc(OC)cc1[O-])CC2 ZINC001203628569 1312975434 /nfs/dbraw/zinc/97/54/34/1312975434.db2.gz BSIHJMSWGAULGV-INIZCTEOSA-N 0 3 335.444 2.666 20 10 EFCDHN COc1ccc(C[N@@H+]2CC[C@]3(C[C@H](OCC4CC4)CO3)C2)c([O-])c1 ZINC001203629974 1312975706 /nfs/dbraw/zinc/97/57/06/1312975706.db2.gz PMDBLWBOKBUKRZ-HKUYNNGSSA-N 0 3 333.428 2.561 20 10 EFCDHN COc1ccc(C[N@H+]2CC[C@]3(C[C@H](OCC4CC4)CO3)C2)c([O-])c1 ZINC001203629974 1312975709 /nfs/dbraw/zinc/97/57/09/1312975709.db2.gz PMDBLWBOKBUKRZ-HKUYNNGSSA-N 0 3 333.428 2.561 20 10 EFCDHN COc1ccc(C[N@@H+]2CCCN(c3cccc(C)n3)CC2)c([O-])c1 ZINC001203629333 1312975898 /nfs/dbraw/zinc/97/58/98/1312975898.db2.gz WSSDQQAKDLDINM-UHFFFAOYSA-N 0 3 327.428 2.817 20 10 EFCDHN COc1ccc(C[N@H+]2CCCN(c3cccc(C)n3)CC2)c([O-])c1 ZINC001203629333 1312975901 /nfs/dbraw/zinc/97/59/01/1312975901.db2.gz WSSDQQAKDLDINM-UHFFFAOYSA-N 0 3 327.428 2.817 20 10 EFCDHN [O-]c1c(C[N@H+]2CCC[C@](O)(CF)CC2)cccc1OC(F)(F)F ZINC001233726258 1312978722 /nfs/dbraw/zinc/97/87/22/1312978722.db2.gz BJDMZTJJNIOTEI-CQSZACIVSA-N 0 3 337.313 2.977 20 10 EFCDHN [O-]c1c(C[N@@H+]2CCC[C@](O)(CF)CC2)cccc1OC(F)(F)F ZINC001233726258 1312978726 /nfs/dbraw/zinc/97/87/26/1312978726.db2.gz BJDMZTJJNIOTEI-CQSZACIVSA-N 0 3 337.313 2.977 20 10 EFCDHN [O-]c1c(C[N@H+]2CCC[C@@](F)(CO)CC2)cccc1OC(F)(F)F ZINC001233726682 1312978797 /nfs/dbraw/zinc/97/87/97/1312978797.db2.gz FYECDIDAFUSYNX-AWEZNQCLSA-N 0 3 337.313 2.977 20 10 EFCDHN [O-]c1c(C[N@@H+]2CCC[C@@](F)(CO)CC2)cccc1OC(F)(F)F ZINC001233726682 1312978800 /nfs/dbraw/zinc/97/88/00/1312978800.db2.gz FYECDIDAFUSYNX-AWEZNQCLSA-N 0 3 337.313 2.977 20 10 EFCDHN C[N@H+]1C[C@H]2[C@H](C1)CCCN2Cc1cc(Br)ccc1[O-] ZINC001203645797 1312979808 /nfs/dbraw/zinc/97/98/08/1312979808.db2.gz SPAHYRZBFUNKMD-FZMZJTMJSA-N 0 3 325.250 2.681 20 10 EFCDHN C[N@@H+]1C[C@H]2[C@H](C1)CCCN2Cc1cc(Br)ccc1[O-] ZINC001203645797 1312979809 /nfs/dbraw/zinc/97/98/09/1312979809.db2.gz SPAHYRZBFUNKMD-FZMZJTMJSA-N 0 3 325.250 2.681 20 10 EFCDHN Oc1c(CN2CCN(CC3CC3)CC2)cccc1OC(F)(F)F ZINC001233754215 1312984545 /nfs/dbraw/zinc/98/45/45/1312984545.db2.gz AOBSCOBKTMXQEX-UHFFFAOYSA-N 0 3 330.350 2.818 20 10 EFCDHN COc1ccc(O)c(CN2CC[C@@H](F)[C@@](O)(C(F)(F)F)CC2)c1 ZINC001203670294 1312985473 /nfs/dbraw/zinc/98/54/73/1312985473.db2.gz MKZWYKBHISVBTQ-ZIAGYGMSSA-N 0 3 337.313 2.628 20 10 EFCDHN COc1ccc(O)c(CN2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)c1 ZINC001203670982 1312985773 /nfs/dbraw/zinc/98/57/73/1312985773.db2.gz HKZJWFQXWHNMOQ-HIFRSBDPSA-N 0 3 348.443 2.842 20 10 EFCDHN CCOC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3cccc(OC(F)(F)F)c3[O-])C[C@@H]21 ZINC001233768349 1312987757 /nfs/dbraw/zinc/98/77/57/1312987757.db2.gz PQSQMKLQLZILNU-PJXYFTJBSA-N 0 3 345.317 2.532 20 10 EFCDHN CCOC(=O)[C@H]1[C@@H]2C[N@H+](Cc3cccc(OC(F)(F)F)c3[O-])C[C@@H]21 ZINC001233768349 1312987760 /nfs/dbraw/zinc/98/77/60/1312987760.db2.gz PQSQMKLQLZILNU-PJXYFTJBSA-N 0 3 345.317 2.532 20 10 EFCDHN COc1ccc(O)c(CN2CC3(CC(NC(=O)OC(C)(C)C)C3)C2)c1 ZINC001203678067 1312987991 /nfs/dbraw/zinc/98/79/91/1312987991.db2.gz HLWUNYOCPVBWEQ-UHFFFAOYSA-N 0 3 348.443 2.890 20 10 EFCDHN COc1ccc(O)c(CN2CCC[C@@H](Oc3ncncc3C)C2)c1 ZINC001203684020 1312989741 /nfs/dbraw/zinc/98/97/41/1312989741.db2.gz JRYAUEHCHSHNRS-MRXNPFEDSA-N 0 3 329.400 2.543 20 10 EFCDHN COC(=O)CC[N@H+](Cc1cccc(OC(F)(F)F)c1[O-])C1CC1 ZINC001233776580 1312990434 /nfs/dbraw/zinc/99/04/34/1312990434.db2.gz VQKHYDOYUWLCBB-UHFFFAOYSA-N 0 3 333.306 2.818 20 10 EFCDHN COC(=O)CC[N@@H+](Cc1cccc(OC(F)(F)F)c1[O-])C1CC1 ZINC001233776580 1312990436 /nfs/dbraw/zinc/99/04/36/1312990436.db2.gz VQKHYDOYUWLCBB-UHFFFAOYSA-N 0 3 333.306 2.818 20 10 EFCDHN CCc1nc(C)cc(NCc2ccc(N3CCN(C)CC3)cc2)n1 ZINC000882879970 1293365630 /nfs/dbraw/zinc/36/56/30/1293365630.db2.gz WGHNISQZOKFXGZ-UHFFFAOYSA-N 0 3 325.460 2.711 20 10 EFCDHN Cc1cc(N(C)C)ccc1CN[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000775633748 1293793155 /nfs/dbraw/zinc/79/31/55/1293793155.db2.gz LUQSVHVGZKVAPY-HXUWFJFHSA-N 0 3 337.467 2.952 20 10 EFCDHN Cc1cc(N(C)C)ccc1CN[C@H]1CCN(Cc2ccccc2)C1=O ZINC000775633747 1293793469 /nfs/dbraw/zinc/79/34/69/1293793469.db2.gz LUQSVHVGZKVAPY-FQEVSTJZSA-N 0 3 337.467 2.952 20 10 EFCDHN CCOC[C@H]1COCCC12CCN(Cc1ccc(O)c(O)c1)CC2 ZINC001203878606 1313040190 /nfs/dbraw/zinc/04/01/90/1313040190.db2.gz HYARGCLAPGXYMI-INIZCTEOSA-N 0 3 335.444 2.753 20 10 EFCDHN CN(Cc1ccc(O)c(O)c1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001203878151 1313039958 /nfs/dbraw/zinc/03/99/58/1313039958.db2.gz PXEUYDUNIHMUCJ-CQSZACIVSA-N 0 3 336.432 2.929 20 10 EFCDHN CC(C)(C)OC(=O)N1CC[C@H]2CN(Cc3ccc(O)c(O)c3)C[C@@H]2C1 ZINC001203882898 1313040781 /nfs/dbraw/zinc/04/07/81/1313040781.db2.gz WMUPDVYDNVWFQH-LSDHHAIUSA-N 0 3 348.443 2.787 20 10 EFCDHN COC(=O)[C@H]1CN(Cc2ccc(O)c(O)c2)C[C@@H]1c1ccc(F)cc1 ZINC001203881723 1313040859 /nfs/dbraw/zinc/04/08/59/1313040859.db2.gz UNDXLQUMEIUCGR-CVEARBPZSA-N 0 3 345.370 2.626 20 10 EFCDHN O=C(C[NH2+]Cc1ccccc1[O-])Nc1ccc(Br)cc1 ZINC000134229308 1294096237 /nfs/dbraw/zinc/09/62/37/1294096237.db2.gz OAVSAPGVEQHMCP-UHFFFAOYSA-N 0 3 335.201 2.883 20 10 EFCDHN Cc1cncnc1O[C@@H]1CCCN(Cc2ccc(N(C)C)cc2)C1 ZINC001203935218 1313051037 /nfs/dbraw/zinc/05/10/37/1313051037.db2.gz AJPKIKNYMPQDOH-GOSISDBHSA-N 0 3 326.444 2.894 20 10 EFCDHN COc1cccc(O[C@H]2CCN(Cc3ccc(N(C)C)cc3)C2)n1 ZINC001203937417 1313051400 /nfs/dbraw/zinc/05/14/00/1313051400.db2.gz QEULIRBNYQXJJV-KRWDZBQOSA-N 0 3 327.428 2.810 20 10 EFCDHN CN(C)c1ccc(CN2CCC[C@H](OCC(=O)NC(C)(C)C)C2)cc1 ZINC001203937740 1313051503 /nfs/dbraw/zinc/05/15/03/1313051503.db2.gz OENDQYYBYPDTKG-SFHVURJKSA-N 0 3 347.503 2.648 20 10 EFCDHN CN(C)c1ccc(CN2C[C@@H]3CN(C(=O)OC(C)(C)C)[C@@H]3C2)cc1 ZINC001203936656 1313051637 /nfs/dbraw/zinc/05/16/37/1313051637.db2.gz IYSWFAPKULONLT-NVXWUHKLSA-N 0 3 331.460 2.804 20 10 EFCDHN Cc1cnc(O[C@@H]2CCCN(Cc3ccc(N(C)C)cc3)C2)nc1 ZINC001203936779 1313052036 /nfs/dbraw/zinc/05/20/36/1313052036.db2.gz NFUIVXLNTKXCEG-GOSISDBHSA-N 0 3 326.444 2.894 20 10 EFCDHN COC(=O)N1CCC2(CCN(Cc3ccc(O)c(O)c3)CC2)CC1 ZINC001203875718 1294519143 /nfs/dbraw/zinc/51/91/43/1294519143.db2.gz SWRPOPLZMNYRIS-UHFFFAOYSA-N 0 3 334.416 2.542 20 10 EFCDHN CN(C)C[C@H]1CN(Cc2ccc(N(C)C)c3ccccc23)CCO1 ZINC001204236972 1313106009 /nfs/dbraw/zinc/10/60/09/1313106009.db2.gz YVSGTOBOWICHTJ-KRWDZBQOSA-N 0 3 327.472 2.668 20 10 EFCDHN NC(=O)C1CCN(c2ccc(CNCc3ccc(F)cc3)cc2)CC1 ZINC000886325457 1294856318 /nfs/dbraw/zinc/85/63/18/1294856318.db2.gz GNSJOIGDNQRIAN-UHFFFAOYSA-N 0 3 341.430 2.817 20 10 EFCDHN [O-]c1cc(O)ccc1C[NH+]1CCC2(C[C@H](OCC3CC3)CO2)CC1 ZINC001204272481 1313112258 /nfs/dbraw/zinc/11/22/58/1313112258.db2.gz BEDPQOKZCXMZPX-KRWDZBQOSA-N 0 3 333.428 2.648 20 10 EFCDHN [O-]c1cc(O)ccc1C[N@@H+]1CC[C@@H]2[C@H](CCN2Cc2nccs2)C1 ZINC001204274567 1313113290 /nfs/dbraw/zinc/11/32/90/1313113290.db2.gz PBNTUHZFEWENEF-CZUORRHYSA-N 0 3 345.468 2.651 20 10 EFCDHN [O-]c1cc(O)ccc1C[N@H+]1CC[C@@H]2[C@H](CCN2Cc2nccs2)C1 ZINC001204274567 1313113293 /nfs/dbraw/zinc/11/32/93/1313113293.db2.gz PBNTUHZFEWENEF-CZUORRHYSA-N 0 3 345.468 2.651 20 10 EFCDHN O=C1C[C@]2(CC[N@@H+](Cc3ccc(O)cc3[O-])C2)CN1c1ccsc1 ZINC001204275086 1313113791 /nfs/dbraw/zinc/11/37/91/1313113791.db2.gz WTCXFBPWUIKAMT-SFHVURJKSA-N 0 3 344.436 2.788 20 10 EFCDHN O=C1C[C@]2(CC[N@H+](Cc3ccc(O)cc3[O-])C2)CN1c1ccsc1 ZINC001204275086 1313113794 /nfs/dbraw/zinc/11/37/94/1313113794.db2.gz WTCXFBPWUIKAMT-SFHVURJKSA-N 0 3 344.436 2.788 20 10 EFCDHN CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccc(O)cc2[O-])C1 ZINC001204275813 1313114425 /nfs/dbraw/zinc/11/44/25/1313114425.db2.gz BXAGUXZRLNAPAW-XJKSGUPXSA-N 0 3 348.443 2.929 20 10 EFCDHN CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2Cc2ccc(O)cc2[O-])C1 ZINC001204275813 1313114427 /nfs/dbraw/zinc/11/44/27/1313114427.db2.gz BXAGUXZRLNAPAW-XJKSGUPXSA-N 0 3 348.443 2.929 20 10 EFCDHN CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(O)cc3[O-])C[C@@H]2C1 ZINC001204278556 1313114955 /nfs/dbraw/zinc/11/49/55/1313114955.db2.gz FRVBRWPIMGPCOM-DZGCQCFKSA-N 0 3 348.443 2.787 20 10 EFCDHN CC(C)(C)OC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(O)cc3[O-])C[C@@H]2C1 ZINC001204278556 1313114958 /nfs/dbraw/zinc/11/49/58/1313114958.db2.gz FRVBRWPIMGPCOM-DZGCQCFKSA-N 0 3 348.443 2.787 20 10 EFCDHN CC(C)(C)OC(=O)N[C@@]12CCC[C@@H]1C[N@H+](Cc1ccc(O)cc1[O-])C2 ZINC001204277261 1313115065 /nfs/dbraw/zinc/11/50/65/1313115065.db2.gz XILOOSNQUSRBDZ-AUUYWEPGSA-N 0 3 348.443 2.977 20 10 EFCDHN CC(C)(C)OC(=O)N[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccc(O)cc1[O-])C2 ZINC001204277261 1313115066 /nfs/dbraw/zinc/11/50/66/1313115066.db2.gz XILOOSNQUSRBDZ-AUUYWEPGSA-N 0 3 348.443 2.977 20 10 EFCDHN CCOc1ccc(N2CCN(Cc3ccc(O)cc3O)CC2)cc1 ZINC001204277756 1313115120 /nfs/dbraw/zinc/11/51/20/1313115120.db2.gz KRNDEJUYXUDRPT-UHFFFAOYSA-N 0 3 328.412 2.819 20 10 EFCDHN CC(C)(C)OC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccc(O)cc3[O-])C2)C1 ZINC001204277208 1313115140 /nfs/dbraw/zinc/11/51/40/1313115140.db2.gz WHYZATUIOHREJI-LJQANCHMSA-N 0 3 348.443 2.931 20 10 EFCDHN CC(C)(C)OC(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccc(O)cc3[O-])C2)C1 ZINC001204277208 1313115142 /nfs/dbraw/zinc/11/51/42/1313115142.db2.gz WHYZATUIOHREJI-LJQANCHMSA-N 0 3 348.443 2.931 20 10 EFCDHN CCOc1cccc(N2CCN(Cc3ccc(O)cc3O)CC2)c1 ZINC001204281084 1313116535 /nfs/dbraw/zinc/11/65/35/1313116535.db2.gz QCTKDEOSBNMMCO-UHFFFAOYSA-N 0 3 328.412 2.819 20 10 EFCDHN C[C@H](NCC(=O)NCCc1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000775834354 1294978448 /nfs/dbraw/zinc/97/84/48/1294978448.db2.gz SHETZKPPSGPNFS-HNNXBMFYSA-N 0 3 343.446 2.901 20 10 EFCDHN C[C@H]([NH2+]Cc1ccnc(N2CCN(C)CC2)c1)c1c([O-])cccc1F ZINC000886505107 1294996194 /nfs/dbraw/zinc/99/61/94/1294996194.db2.gz LHYWWMLATRHNIU-AWEZNQCLSA-N 0 3 344.434 2.529 20 10 EFCDHN CC1=NC2(CCN(Cc3ccc(N4CCCC4)cc3)CC2)C(=O)N1C ZINC001204329070 1313123573 /nfs/dbraw/zinc/12/35/73/1313123573.db2.gz DVKUERAHIZCPCO-UHFFFAOYSA-N 0 3 340.471 2.512 20 10 EFCDHN COc1cc(Br)cc(CN2[C@@H](C)CC[C@H]2CO)c1O ZINC001204336481 1313125264 /nfs/dbraw/zinc/12/52/64/1313125264.db2.gz SERIKNMFNUBTMW-CABZTGNLSA-N 0 3 330.222 2.509 20 10 EFCDHN COc1cc(CN2C[C@H]3CN(c4ccccc4)C[C@@H]3C2)cc(O)c1O ZINC001204349852 1313127366 /nfs/dbraw/zinc/12/73/66/1313127366.db2.gz COJXPDGZDXWASD-HOTGVXAUSA-N 0 3 340.423 2.675 20 10 EFCDHN COc1cc(Br)cc(CN2CC[C@@H](C)[C@@H](O)CC2)c1O ZINC001204336486 1313124920 /nfs/dbraw/zinc/12/49/20/1313124920.db2.gz SIAOTSAJHVZTIO-MFKMUULPSA-N 0 3 344.249 2.756 20 10 EFCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCC[C@@]4(CCNC4=O)C3)c2c1 ZINC001234536465 1313149826 /nfs/dbraw/zinc/14/98/26/1313149826.db2.gz PASKVEGXMSCTGH-HXUWFJFHSA-N 0 3 340.423 2.656 20 10 EFCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCC[C@@]4(CCNC4=O)C3)c2c1 ZINC001234536465 1313149827 /nfs/dbraw/zinc/14/98/27/1313149827.db2.gz PASKVEGXMSCTGH-HXUWFJFHSA-N 0 3 340.423 2.656 20 10 EFCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@H](N(C)C(C)=O)C3)c2c1 ZINC001234569944 1313160522 /nfs/dbraw/zinc/16/05/22/1313160522.db2.gz UYTQQJNOSNCIJS-HNNXBMFYSA-N 0 3 328.412 2.607 20 10 EFCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@H](N(C)C(C)=O)C3)c2c1 ZINC001234569944 1313160526 /nfs/dbraw/zinc/16/05/26/1313160526.db2.gz UYTQQJNOSNCIJS-HNNXBMFYSA-N 0 3 328.412 2.607 20 10 EFCDHN CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)cc(C)c2[O-])[C@H]1OC ZINC000775978389 1295539445 /nfs/dbraw/zinc/53/94/45/1295539445.db2.gz KRTQOXIAAVSCES-UMVBOHGHSA-N 0 3 344.249 2.745 20 10 EFCDHN CCN1CCN(c2ccc(OC3CCC4(CC3)OCCO4)cc2)CC1 ZINC001234657437 1313178782 /nfs/dbraw/zinc/17/87/82/1313178782.db2.gz DDDJVTVNJRCSQX-UHFFFAOYSA-N 0 3 346.471 2.893 20 10 EFCDHN CCCCOC(=O)[C@@H](C)Oc1ccc(N2CCN(CC)CC2)cc1 ZINC001234657578 1313178815 /nfs/dbraw/zinc/17/88/15/1313178815.db2.gz FFDWDJVFRLUEFI-MRXNPFEDSA-N 0 3 334.460 2.939 20 10 EFCDHN CCC[C@@H](CC(=O)OC)Oc1ccc(N2CCN(CC)CC2)cc1 ZINC001234658247 1313179152 /nfs/dbraw/zinc/17/91/52/1313179152.db2.gz YMXAXXMFWCOFHB-SFHVURJKSA-N 0 3 334.460 2.939 20 10 EFCDHN Cc1cc(CN2C[C@@H]3OCCN(C)[C@H]3C2)c(C)n1-c1ccccc1 ZINC001276362911 1295877310 /nfs/dbraw/zinc/87/73/10/1295877310.db2.gz NVWIQZNHZKVXDU-PMACEKPBSA-N 0 3 325.456 2.609 20 10 EFCDHN C[N@@H+](Cc1ccccc1[O-])C[C@@H](O)COc1cccc2[nH]ccc21 ZINC000305093073 1295903213 /nfs/dbraw/zinc/90/32/13/1295903213.db2.gz QRNGXGRBVFPOQX-OAHLLOKOSA-N 0 3 326.396 2.745 20 10 EFCDHN C[N@H+](Cc1ccccc1[O-])C[C@@H](O)COc1cccc2[nH]ccc21 ZINC000305093073 1295903229 /nfs/dbraw/zinc/90/32/29/1295903229.db2.gz QRNGXGRBVFPOQX-OAHLLOKOSA-N 0 3 326.396 2.745 20 10 EFCDHN COC(=O)[C@H]1C[N@H+](Cc2cccc(-c3ccccc3)c2[O-])CCCO1 ZINC001234998895 1313219525 /nfs/dbraw/zinc/21/95/25/1313219525.db2.gz PIBQBDLEOQSSEH-GOSISDBHSA-N 0 3 341.407 2.823 20 10 EFCDHN COC(=O)[C@H]1C[N@@H+](Cc2cccc(-c3ccccc3)c2[O-])CCCO1 ZINC001234998895 1313219529 /nfs/dbraw/zinc/21/95/29/1313219529.db2.gz PIBQBDLEOQSSEH-GOSISDBHSA-N 0 3 341.407 2.823 20 10 EFCDHN O=C1NCC2(CC[NH+](Cc3cccc(-c4ccccc4)c3[O-])CC2)N1 ZINC001234998730 1313219806 /nfs/dbraw/zinc/21/98/06/1313219806.db2.gz NHWMTWKLWFPZSB-UHFFFAOYSA-N 0 3 337.423 2.707 20 10 EFCDHN [O-]c1ccc(Br)cc1CN1CCCC[C@]12CC[NH2+]C2 ZINC001235124228 1313247865 /nfs/dbraw/zinc/24/78/65/1313247865.db2.gz LAGIBPWFWSBRFA-OAHLLOKOSA-N 0 3 325.250 2.873 20 10 EFCDHN Cc1cc([O-])c(CN2C[C@H]3CCC[NH2+][C@H]3C2)cc1Br ZINC001235215018 1313266000 /nfs/dbraw/zinc/26/60/00/1313266000.db2.gz FYDYAJSPHCICQS-RISCZKNCSA-N 0 3 325.250 2.647 20 10 EFCDHN Cc1ncsc1CN1CC2(C1)CN(Cc1cccc(C)c1O)C2 ZINC001276080896 1296595347 /nfs/dbraw/zinc/59/53/47/1296595347.db2.gz XNYBEVBJCGIBTO-UHFFFAOYSA-N 0 3 329.469 2.783 20 10 EFCDHN COc1cc(O)c(CNC(C)(C)C(=O)Nc2ccccc2)cc1OC ZINC000776173903 1296812235 /nfs/dbraw/zinc/81/22/35/1296812235.db2.gz DAHZOYRVCBEIIV-UHFFFAOYSA-N 0 3 344.411 2.916 20 10 EFCDHN C[C@H]([NH2+]CCc1ccccc1S(C)(=O)=O)c1cc(F)ccc1[O-] ZINC000926907384 1296973957 /nfs/dbraw/zinc/97/39/57/1296973957.db2.gz HTCUDJKGMORQBX-LBPRGKRZSA-N 0 3 337.416 2.828 20 10 EFCDHN C[C@@H]([NH2+]CCc1ccccc1S(C)(=O)=O)c1cc(F)ccc1[O-] ZINC000926907383 1296974285 /nfs/dbraw/zinc/97/42/85/1296974285.db2.gz HTCUDJKGMORQBX-GFCCVEGCSA-N 0 3 337.416 2.828 20 10 EFCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@@]4(CCN(C)C4=O)C3)c2c1 ZINC001273904717 1297066369 /nfs/dbraw/zinc/06/63/69/1297066369.db2.gz JMWWFAIXYKDPGF-FQEVSTJZSA-N 0 3 340.423 2.608 20 10 EFCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@@]4(CCN(C)C4=O)C3)c2c1 ZINC001273904717 1297066382 /nfs/dbraw/zinc/06/63/82/1297066382.db2.gz JMWWFAIXYKDPGF-FQEVSTJZSA-N 0 3 340.423 2.608 20 10 EFCDHN CC(C)(C)c1ccc(C[NH+]2CCC3(CC2)CC(=O)NC(=O)C3)c([O-])c1 ZINC001235677503 1313372694 /nfs/dbraw/zinc/37/26/94/1313372694.db2.gz FCROFZDXBBVIRE-UHFFFAOYSA-N 0 3 344.455 2.709 20 10 EFCDHN CC(C)(C)c1ccc(CN2CCN(c3cncnc3)CC2)c(O)c1 ZINC001235680398 1313373039 /nfs/dbraw/zinc/37/30/39/1313373039.db2.gz UQAOJPWPHQXELB-UHFFFAOYSA-N 0 3 326.444 2.802 20 10 EFCDHN CN(C)C(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@@H+]2Cc2ccc(C(C)(C)C)cc2[O-])O1 ZINC001235682237 1313373525 /nfs/dbraw/zinc/37/35/25/1313373525.db2.gz PTTWFCOFRZWFOL-NXHRZFHOSA-N 0 3 346.471 2.510 20 10 EFCDHN CN(C)C(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@H+]2Cc2ccc(C(C)(C)C)cc2[O-])O1 ZINC001235682237 1313373527 /nfs/dbraw/zinc/37/35/27/1313373527.db2.gz PTTWFCOFRZWFOL-NXHRZFHOSA-N 0 3 346.471 2.510 20 10 EFCDHN COc1cc(N(C)C)ccc1CN1CCN[C@@H](c2ccccc2)C1 ZINC001235855356 1313410519 /nfs/dbraw/zinc/41/05/19/1313410519.db2.gz NODNRPPBEGNFNB-LJQANCHMSA-N 0 3 325.456 2.908 20 10 EFCDHN Cc1cc(CN2C[C@H]3CC[C@@H](C2)[NH2+]C3)c([O-])cc1Br ZINC001236059930 1313435493 /nfs/dbraw/zinc/43/54/93/1313435493.db2.gz KFIIJDUHPFFUDD-AAEUAGOBSA-N 0 3 325.250 2.647 20 10 EFCDHN C[N@H+](Cc1cc(Br)cc(F)c1[O-])[C@@H]1CCCC[C@H]1N ZINC001236212951 1313456589 /nfs/dbraw/zinc/45/65/89/1313456589.db2.gz ANJBFNPYPJRPRK-CHWSQXEVSA-N 0 3 331.229 2.996 20 10 EFCDHN C[N@@H+](Cc1cc(Br)cc(F)c1[O-])[C@@H]1CCCC[C@H]1N ZINC001236212951 1313456592 /nfs/dbraw/zinc/45/65/92/1313456592.db2.gz ANJBFNPYPJRPRK-CHWSQXEVSA-N 0 3 331.229 2.996 20 10 EFCDHN CN(Cc1cc(Br)cc(F)c1[O-])[C@@H]1CCCC[C@H]1[NH3+] ZINC001236212951 1313456593 /nfs/dbraw/zinc/45/65/93/1313456593.db2.gz ANJBFNPYPJRPRK-CHWSQXEVSA-N 0 3 331.229 2.996 20 10 EFCDHN COc1cc([O-])c(CN(C)[C@]2(C)CCC[NH2+]C2)cc1Br ZINC001236207598 1313455618 /nfs/dbraw/zinc/45/56/18/1313455618.db2.gz RDELFONZQCRJHY-OAHLLOKOSA-N 0 3 343.265 2.737 20 10 EFCDHN COc1cc([O-])c(CN(C)[C@]2(C)CCC[NH2+]C2)c(Br)c1 ZINC001236209207 1313456056 /nfs/dbraw/zinc/45/60/56/1313456056.db2.gz ZILQSXPCEAEAOH-OAHLLOKOSA-N 0 3 343.265 2.737 20 10 EFCDHN [O-]c1ccc(Br)cc1CN(C1CC1)[C@H]1CCC[NH2+]C1 ZINC001236236200 1313458925 /nfs/dbraw/zinc/45/89/25/1313458925.db2.gz IHERTIILQKELQN-AWEZNQCLSA-N 0 3 325.250 2.871 20 10 EFCDHN COc1cc(C[N@@H+]2CCC[C@@H](O)[C@@H](C)C2)c([O-])cc1Br ZINC001236744706 1313520949 /nfs/dbraw/zinc/52/09/49/1313520949.db2.gz BVXCVOZGGQVSLO-GXFFZTMASA-N 0 3 344.249 2.756 20 10 EFCDHN COc1cc(C[N@H+]2CCC[C@@H](O)[C@@H](C)C2)c([O-])cc1Br ZINC001236744706 1313520951 /nfs/dbraw/zinc/52/09/51/1313520951.db2.gz BVXCVOZGGQVSLO-GXFFZTMASA-N 0 3 344.249 2.756 20 10 EFCDHN COc1cc(CN2CCC[C@@H](O)[C@@H](C)C2)c(O)cc1Br ZINC001236744706 1313520953 /nfs/dbraw/zinc/52/09/53/1313520953.db2.gz BVXCVOZGGQVSLO-GXFFZTMASA-N 0 3 344.249 2.756 20 10 EFCDHN CCCN1CCN(Cc2cc(OC)c(Br)cc2O)CC1 ZINC001236754240 1313522440 /nfs/dbraw/zinc/52/24/40/1313522440.db2.gz STBSHBCGSBDIRI-UHFFFAOYSA-N 0 3 343.265 2.691 20 10 EFCDHN CCc1ccc(CN2CCC[C@@H](NC(=O)c3cccnc3)C2)c(O)c1 ZINC001236788749 1313529363 /nfs/dbraw/zinc/52/93/63/1313529363.db2.gz QALMEKQLUZRBEZ-GOSISDBHSA-N 0 3 339.439 2.744 20 10 EFCDHN CCc1ccc(CN2CCN(c3ccnc(OC)c3)CC2)c(O)c1 ZINC001236788810 1313529592 /nfs/dbraw/zinc/52/95/92/1313529592.db2.gz QUEORPCTRGALNO-UHFFFAOYSA-N 0 3 327.428 2.680 20 10 EFCDHN CCc1ccc(C[NH+]2CCC(NC(=O)N(CC)CC)CC2)c([O-])c1 ZINC001236787856 1313529647 /nfs/dbraw/zinc/52/96/47/1313529647.db2.gz LPQMCCVFXYNEKP-UHFFFAOYSA-N 0 3 333.476 2.970 20 10 EFCDHN CCc1ccc(CN2CCN(CCc3ccncc3)CC2)c(O)c1 ZINC001236789800 1313529666 /nfs/dbraw/zinc/52/96/66/1313529666.db2.gz RVGLZNRVVMNCTB-UHFFFAOYSA-N 0 3 325.456 2.710 20 10 EFCDHN COc1cc(C)c(C[N@@H+]2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC2)c([O-])c1 ZINC001236807572 1313533312 /nfs/dbraw/zinc/53/33/12/1313533312.db2.gz FRDNZMLBLYBOMH-ROUUACIJSA-N 0 3 344.455 2.685 20 10 EFCDHN COc1cc(C)c(C[N@H+]2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC2)c([O-])c1 ZINC001236807572 1313533316 /nfs/dbraw/zinc/53/33/16/1313533316.db2.gz FRDNZMLBLYBOMH-ROUUACIJSA-N 0 3 344.455 2.685 20 10 EFCDHN COC[C@@]12CCCO[C@@H]1CC[N@H+](Cc1c(C)cc(OC)cc1[O-])C2 ZINC001236808815 1313533947 /nfs/dbraw/zinc/53/39/47/1313533947.db2.gz CFSOWZIWHORZFC-MOPGFXCFSA-N 0 3 335.444 2.727 20 10 EFCDHN COC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1c(C)cc(OC)cc1[O-])C2 ZINC001236808815 1313533949 /nfs/dbraw/zinc/53/39/49/1313533949.db2.gz CFSOWZIWHORZFC-MOPGFXCFSA-N 0 3 335.444 2.727 20 10 EFCDHN CC[C@H]1[N@H+](Cc2c(C)cc(OC)cc2[O-])CCC[C@]12CCC(=O)N2 ZINC001236809149 1313534053 /nfs/dbraw/zinc/53/40/53/1313534053.db2.gz DRCTXTPXRQBVSX-MJGOQNOKSA-N 0 3 332.444 2.732 20 10 EFCDHN CC[C@H]1[N@@H+](Cc2c(C)cc(OC)cc2[O-])CCC[C@]12CCC(=O)N2 ZINC001236809149 1313534055 /nfs/dbraw/zinc/53/40/55/1313534055.db2.gz DRCTXTPXRQBVSX-MJGOQNOKSA-N 0 3 332.444 2.732 20 10 EFCDHN CC[C@@H]1[N@H+](Cc2c(C)cc(OC)cc2[O-])CCC[C@]12CCC(=O)N2 ZINC001236809147 1313534136 /nfs/dbraw/zinc/53/41/36/1313534136.db2.gz DRCTXTPXRQBVSX-HKUYNNGSSA-N 0 3 332.444 2.732 20 10 EFCDHN CC[C@@H]1[N@@H+](Cc2c(C)cc(OC)cc2[O-])CCC[C@]12CCC(=O)N2 ZINC001236809147 1313534138 /nfs/dbraw/zinc/53/41/38/1313534138.db2.gz DRCTXTPXRQBVSX-HKUYNNGSSA-N 0 3 332.444 2.732 20 10 EFCDHN COc1cc(C)c(C[N@@H+]2CC[C@@H]3[C@@H](CCN3C(=O)C(C)C)C2)c([O-])c1 ZINC001236811693 1313534985 /nfs/dbraw/zinc/53/49/85/1313534985.db2.gz RONFUYKCFSMNNB-MAUKXSAKSA-N 0 3 346.471 2.788 20 10 EFCDHN COc1cc(C)c(C[N@H+]2CC[C@@H]3[C@@H](CCN3C(=O)C(C)C)C2)c([O-])c1 ZINC001236811693 1313534988 /nfs/dbraw/zinc/53/49/88/1313534988.db2.gz RONFUYKCFSMNNB-MAUKXSAKSA-N 0 3 346.471 2.788 20 10 EFCDHN COc1cc(C)c(C[NH+]2CCC(NC(=O)C3CCCC3)CC2)c([O-])c1 ZINC001236812190 1313535143 /nfs/dbraw/zinc/53/51/43/1313535143.db2.gz ADWNEQRNZAWNKW-UHFFFAOYSA-N 0 3 346.471 2.980 20 10 EFCDHN COc1cc(C)c(C[N@@H+]2CC[C@@]3(C2)CCCCN3C(C)=O)c([O-])c1 ZINC001236812861 1313535332 /nfs/dbraw/zinc/53/53/32/1313535332.db2.gz FXGSUISCXYPUMG-LJQANCHMSA-N 0 3 332.444 2.686 20 10 EFCDHN COc1cc(C)c(C[N@H+]2CC[C@@]3(C2)CCCCN3C(C)=O)c([O-])c1 ZINC001236812861 1313535336 /nfs/dbraw/zinc/53/53/36/1313535336.db2.gz FXGSUISCXYPUMG-LJQANCHMSA-N 0 3 332.444 2.686 20 10 EFCDHN COc1cc(C)c(C[N@@H+]2CC[C@@H](Oc3cccc(OC)n3)C2)c([O-])c1 ZINC001236815777 1313535535 /nfs/dbraw/zinc/53/55/35/1313535535.db2.gz ORVBJVOJFVAUFY-CQSZACIVSA-N 0 3 344.411 2.766 20 10 EFCDHN COc1cc(C)c(C[N@H+]2CC[C@@H](Oc3cccc(OC)n3)C2)c([O-])c1 ZINC001236815777 1313535537 /nfs/dbraw/zinc/53/55/37/1313535537.db2.gz ORVBJVOJFVAUFY-CQSZACIVSA-N 0 3 344.411 2.766 20 10 EFCDHN COc1cc(C)c(CN2CCC[C@@H](NC(=O)C3CCC3)C2)c(O)c1 ZINC001236815404 1313536116 /nfs/dbraw/zinc/53/61/16/1313536116.db2.gz LDBCVVBWEYFYGT-OAHLLOKOSA-N 0 3 332.444 2.590 20 10 EFCDHN COc1cc(C)c(CN2CCN(c3ncccc3C)CC2)c(O)c1 ZINC001236818646 1313536941 /nfs/dbraw/zinc/53/69/41/1313536941.db2.gz PZHLOHACGDQIHW-UHFFFAOYSA-N 0 3 327.428 2.735 20 10 EFCDHN Clc1cc(N2CCOCC2)ccc1CN1CCN2CCCC[C@H]2C1 ZINC001236922977 1313553564 /nfs/dbraw/zinc/55/35/64/1313553564.db2.gz WEABMQCFIDGSJL-SFHVURJKSA-N 0 3 349.906 2.847 20 10 EFCDHN C[C@@H]1CCCN(Cc2ccc(N3CCOCC3)cc2Cl)[C@@H]1CO ZINC001236925967 1313555046 /nfs/dbraw/zinc/55/50/46/1313555046.db2.gz ZRDIMMCAWFEHFO-RDTXWAMCSA-N 0 3 338.879 2.769 20 10 EFCDHN Clc1cc(N2CCOCC2)ccc1CN1CCN(C2CCC2)CC1 ZINC001236928414 1313555438 /nfs/dbraw/zinc/55/54/38/1313555438.db2.gz LJHXGPGHIAEQJQ-UHFFFAOYSA-N 0 3 349.906 2.847 20 10 EFCDHN CCCO[C@@H]1CCN(Cc2ccc(N3CCN(C)CC3)cc2F)C1 ZINC001236940912 1313558378 /nfs/dbraw/zinc/55/83/78/1313558378.db2.gz WJGYXADPELCZAT-GOSISDBHSA-N 0 3 335.467 2.578 20 10 EFCDHN C[N@H+](Cc1ccc(F)c(N2CCOCC2)c1)Cc1ccccc1[O-] ZINC001236961436 1313560805 /nfs/dbraw/zinc/56/08/05/1313560805.db2.gz RWLDFZOYILLFRR-UHFFFAOYSA-N 0 3 330.403 3.000 20 10 EFCDHN C[N@@H+](Cc1ccc(F)c(N2CCOCC2)c1)Cc1ccccc1[O-] ZINC001236961436 1313560806 /nfs/dbraw/zinc/56/08/06/1313560806.db2.gz RWLDFZOYILLFRR-UHFFFAOYSA-N 0 3 330.403 3.000 20 10 EFCDHN CCN(CC)c1ccc(CN2CCNC[C@@H]2C(F)(F)F)c(OC)c1 ZINC001236977839 1313564769 /nfs/dbraw/zinc/56/47/69/1313564769.db2.gz XGTTWKPAJCHJFE-MRXNPFEDSA-N 0 3 345.409 2.878 20 10 EFCDHN Oc1cc(C(F)(F)F)ccc1CN1CCNC[C@@H]1C(F)(F)F ZINC001236982990 1313566025 /nfs/dbraw/zinc/56/60/25/1313566025.db2.gz UJQTVRGIFXDKIT-LLVKDONJSA-N 0 3 328.256 2.747 20 10 EFCDHN Oc1cccc(OC(F)(F)F)c1CN1CCNC[C@H]1C(F)(F)F ZINC001236981172 1313566067 /nfs/dbraw/zinc/56/60/67/1313566067.db2.gz KYSOXOJYRUNUTO-NSHDSACASA-N 0 3 344.255 2.627 20 10 EFCDHN CC1(C)C=Cc2c(O)c(CN3CCNC[C@@H]3C(F)(F)F)ccc2O1 ZINC001236982328 1313566169 /nfs/dbraw/zinc/56/61/69/1313566169.db2.gz QFEFSXQOIBDGFO-CQSZACIVSA-N 0 3 342.361 2.913 20 10 EFCDHN COc1cc([O-])c(CN2Cc3ccccc3C[C@H]2C[NH3+])cc1Cl ZINC001237027600 1313572851 /nfs/dbraw/zinc/57/28/51/1313572851.db2.gz IZYKYLFUDFXEQB-HNNXBMFYSA-N 0 3 332.831 2.940 20 10 EFCDHN CCOc1ccc(C[N@@H+]2CCC[C@]3(CCN(CC)C3=O)C2)c([O-])c1 ZINC001237040595 1313573056 /nfs/dbraw/zinc/57/30/56/1313573056.db2.gz IFEICTQZHUJEHM-IBGZPJMESA-N 0 3 332.444 2.625 20 10 EFCDHN CCOc1ccc(C[N@H+]2CCC[C@]3(CCN(CC)C3=O)C2)c([O-])c1 ZINC001237040595 1313573060 /nfs/dbraw/zinc/57/30/60/1313573060.db2.gz IFEICTQZHUJEHM-IBGZPJMESA-N 0 3 332.444 2.625 20 10 EFCDHN CCOc1ccc(C[NH+]2CCC(Oc3ncccn3)CC2)c([O-])c1 ZINC001237042316 1313573911 /nfs/dbraw/zinc/57/39/11/1313573911.db2.gz SSEODLDJZIAXSH-UHFFFAOYSA-N 0 3 329.400 2.624 20 10 EFCDHN CCOc1ccc(CN2CCC(Oc3ncccn3)CC2)c(O)c1 ZINC001237042316 1313573914 /nfs/dbraw/zinc/57/39/14/1313573914.db2.gz SSEODLDJZIAXSH-UHFFFAOYSA-N 0 3 329.400 2.624 20 10 EFCDHN CCOc1ccc(C[N@@H+]2CC[C@@]3(C[C@H](OCC4CC4)CO3)C2)c([O-])c1 ZINC001237042477 1313574051 /nfs/dbraw/zinc/57/40/51/1313574051.db2.gz WJQHYIVPNFLLPQ-AZUAARDMSA-N 0 3 347.455 2.951 20 10 EFCDHN CCOc1ccc(C[N@H+]2CC[C@@]3(C[C@H](OCC4CC4)CO3)C2)c([O-])c1 ZINC001237042477 1313574056 /nfs/dbraw/zinc/57/40/56/1313574056.db2.gz WJQHYIVPNFLLPQ-AZUAARDMSA-N 0 3 347.455 2.951 20 10 EFCDHN CCOc1ccc(C[N@@H+]2CC[C@H]3OCCC[C@]3(COC)C2)c([O-])c1 ZINC001237041763 1313574161 /nfs/dbraw/zinc/57/41/61/1313574161.db2.gz UAYAZUWQZDLJQE-RTBURBONSA-N 0 3 335.444 2.808 20 10 EFCDHN CCOc1ccc(C[N@H+]2CC[C@H]3OCCC[C@]3(COC)C2)c([O-])c1 ZINC001237041763 1313574163 /nfs/dbraw/zinc/57/41/63/1313574163.db2.gz UAYAZUWQZDLJQE-RTBURBONSA-N 0 3 335.444 2.808 20 10 EFCDHN CCOc1ccc(C[N@@H+]2C[C@@H]3C[C@H](C(=O)NC4CC4)C[C@@H]3C2)c([O-])c1 ZINC001237041836 1313574404 /nfs/dbraw/zinc/57/44/04/1313574404.db2.gz VTHIKHYKTLNPHE-PHZGNYQRSA-N 0 3 344.455 2.528 20 10 EFCDHN CCOc1ccc(C[N@H+]2C[C@@H]3C[C@H](C(=O)NC4CC4)C[C@@H]3C2)c([O-])c1 ZINC001237041836 1313574409 /nfs/dbraw/zinc/57/44/09/1313574409.db2.gz VTHIKHYKTLNPHE-PHZGNYQRSA-N 0 3 344.455 2.528 20 10 EFCDHN CCOc1ccc(C[NH+]2CCC(NC(=O)C3CCC3)CC2)c([O-])c1 ZINC001237041845 1313574438 /nfs/dbraw/zinc/57/44/38/1313574438.db2.gz NFVATHSNTDDLBV-UHFFFAOYSA-N 0 3 332.444 2.672 20 10 EFCDHN CCOc1ccc(C[N@@H+]2CC[C@@H](Oc3ncc(C)cn3)C2)c([O-])c1 ZINC001237047697 1313575014 /nfs/dbraw/zinc/57/50/14/1313575014.db2.gz NWDRWPVXIHJRPW-MRXNPFEDSA-N 0 3 329.400 2.543 20 10 EFCDHN CCOc1ccc(C[N@H+]2CC[C@@H](Oc3ncc(C)cn3)C2)c([O-])c1 ZINC001237047697 1313575016 /nfs/dbraw/zinc/57/50/16/1313575016.db2.gz NWDRWPVXIHJRPW-MRXNPFEDSA-N 0 3 329.400 2.543 20 10 EFCDHN CCOc1ccc(C[N@@H+]2CC[C@@H](Oc3ccnc(OC)c3)C2)c([O-])c1 ZINC001237047371 1313575423 /nfs/dbraw/zinc/57/54/23/1313575423.db2.gz LUWXJEHOSRWJCX-QGZVFWFLSA-N 0 3 344.411 2.848 20 10 EFCDHN CCOc1ccc(C[N@H+]2CC[C@@H](Oc3ccnc(OC)c3)C2)c([O-])c1 ZINC001237047371 1313575427 /nfs/dbraw/zinc/57/54/27/1313575427.db2.gz LUWXJEHOSRWJCX-QGZVFWFLSA-N 0 3 344.411 2.848 20 10 EFCDHN COC(=O)C1CCN(Cc2ccc(OCC(F)(F)F)cc2O)CC1 ZINC001237053251 1313577068 /nfs/dbraw/zinc/57/70/68/1313577068.db2.gz ISTIGKASJAEWSS-UHFFFAOYSA-N 0 3 347.333 2.718 20 10 EFCDHN COC(=O)C1CC[NH+](Cc2ccc(OCC(F)(F)F)cc2[O-])CC1 ZINC001237053251 1313577071 /nfs/dbraw/zinc/57/70/71/1313577071.db2.gz ISTIGKASJAEWSS-UHFFFAOYSA-N 0 3 347.333 2.718 20 10 EFCDHN C[C@@H]1CC[N@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])C[C@@]1(C)O ZINC001237053440 1313577108 /nfs/dbraw/zinc/57/71/08/1313577108.db2.gz LQBHPQZKIYGKCN-IAQYHMDHSA-N 0 3 333.350 2.926 20 10 EFCDHN C[C@@H]1CC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])C[C@@]1(C)O ZINC001237053440 1313577112 /nfs/dbraw/zinc/57/71/12/1313577112.db2.gz LQBHPQZKIYGKCN-IAQYHMDHSA-N 0 3 333.350 2.926 20 10 EFCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[NH+]1CC2(C1)CCOCC2 ZINC001237057015 1313577500 /nfs/dbraw/zinc/57/75/00/1313577500.db2.gz XDJMLPIDPCYYPG-UHFFFAOYSA-N 0 3 331.334 2.946 20 10 EFCDHN CCOC(=O)CC[N@H+](C)Cc1ccc(OCC(F)(F)F)cc1[O-] ZINC001237058363 1313578492 /nfs/dbraw/zinc/57/84/92/1313578492.db2.gz YSQGDXFYCRJCHY-UHFFFAOYSA-N 0 3 335.322 2.718 20 10 EFCDHN CCOC(=O)CC[N@@H+](C)Cc1ccc(OCC(F)(F)F)cc1[O-] ZINC001237058363 1313578494 /nfs/dbraw/zinc/57/84/94/1313578494.db2.gz YSQGDXFYCRJCHY-UHFFFAOYSA-N 0 3 335.322 2.718 20 10 EFCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@H](COc3ccccc3)C1)[C@H](O)CO2 ZINC000779883832 1299115196 /nfs/dbraw/zinc/11/51/96/1299115196.db2.gz GOAMWZUNGFHLFJ-AUUYWEPGSA-N 0 3 341.407 2.719 20 10 EFCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@@H](COc3ccccc3)C1)[C@H](O)CO2 ZINC000779883832 1299115199 /nfs/dbraw/zinc/11/51/99/1299115199.db2.gz GOAMWZUNGFHLFJ-AUUYWEPGSA-N 0 3 341.407 2.719 20 10 EFCDHN COC(=O)[C@H]1CN(Cc2c(O)cccc2OC(F)(F)F)C[C@@H]1C ZINC001237125919 1313591419 /nfs/dbraw/zinc/59/14/19/1313591419.db2.gz SJXBAZUGIRQNMH-UWVGGRQHSA-N 0 3 333.306 2.532 20 10 EFCDHN Cn1cnnc1C1CC[NH+](Cc2cc(C(F)(F)F)ccc2[O-])CC1 ZINC001237138929 1313592253 /nfs/dbraw/zinc/59/22/53/1313592253.db2.gz AFPWYWPBOQTKPY-UHFFFAOYSA-N 0 3 340.349 2.919 20 10 EFCDHN Cn1cnnc1C1CCN(Cc2cc(C(F)(F)F)ccc2O)CC1 ZINC001237138929 1313592255 /nfs/dbraw/zinc/59/22/55/1313592255.db2.gz AFPWYWPBOQTKPY-UHFFFAOYSA-N 0 3 340.349 2.919 20 10 EFCDHN COCCCCN1CCN(Cc2cc(C(F)(F)F)ccc2O)CC1 ZINC001237143724 1313592546 /nfs/dbraw/zinc/59/25/46/1313592546.db2.gz MVNZVUVPWSDJLK-UHFFFAOYSA-N 0 3 346.393 2.955 20 10 EFCDHN CC(=O)N(C)C1CCN(Cc2cc(C(F)(F)F)ccc2O)CC1 ZINC001237142367 1313592589 /nfs/dbraw/zinc/59/25/89/1313592589.db2.gz HRYVYJNULQUGMK-UHFFFAOYSA-N 0 3 330.350 2.854 20 10 EFCDHN NC(=O)N=Nc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCCF)cc1 ZINC001096641666 1313594265 /nfs/dbraw/zinc/59/42/65/1313594265.db2.gz YFPDMNWFKZJWKD-ILXRZTDVSA-N 0 3 347.394 2.544 20 10 EFCDHN CCCCN(CCCC)c1ccc(CN2CC(C(N)=O)C2)c(O)c1 ZINC001237213759 1313607275 /nfs/dbraw/zinc/60/72/75/1313607275.db2.gz VDZNPKJITVNZLY-UHFFFAOYSA-N 0 3 333.476 2.716 20 10 EFCDHN CC[C@@H]1CCCCN1Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC001237213989 1313608212 /nfs/dbraw/zinc/60/82/12/1313608212.db2.gz ZGZAJNPFVBIIMV-QGZVFWFLSA-N 0 3 336.501 2.686 20 10 EFCDHN CCN1CC[C@H]([N@H+](CC)Cc2cc(Br)ccc2[O-])C1=O ZINC000851793540 1299397429 /nfs/dbraw/zinc/39/74/29/1299397429.db2.gz XFYKXQMOTNRXKS-ZDUSSCGKSA-N 0 3 341.249 2.597 20 10 EFCDHN CCN1CC[C@H]([N@@H+](CC)Cc2cc(Br)ccc2[O-])C1=O ZINC000851793540 1299397442 /nfs/dbraw/zinc/39/74/42/1299397442.db2.gz XFYKXQMOTNRXKS-ZDUSSCGKSA-N 0 3 341.249 2.597 20 10 EFCDHN CCC[N@H+](Cc1ccc(S(=O)(=O)NC)cc1)Cc1ccccc1[O-] ZINC000851793220 1299398813 /nfs/dbraw/zinc/39/88/13/1299398813.db2.gz ZYQPDFBJBJWQCZ-UHFFFAOYSA-N 0 3 348.468 2.713 20 10 EFCDHN CCC[N@@H+](Cc1ccc(S(=O)(=O)NC)cc1)Cc1ccccc1[O-] ZINC000851793220 1299398823 /nfs/dbraw/zinc/39/88/23/1299398823.db2.gz ZYQPDFBJBJWQCZ-UHFFFAOYSA-N 0 3 348.468 2.713 20 10 EFCDHN CSc1ccc([O-])c(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000852790733 1299888858 /nfs/dbraw/zinc/88/88/58/1299888858.db2.gz ATKRLPGEIXAKSG-MRXNPFEDSA-N 0 3 345.468 2.610 20 10 EFCDHN CN1CCCc2cc(CNC(=O)c3cc4c(s3)CCNC4)ccc21 ZINC000852799205 1299893405 /nfs/dbraw/zinc/89/34/05/1299893405.db2.gz REPZWOAQEBLGMT-UHFFFAOYSA-N 0 3 341.480 2.706 20 10 EFCDHN CN(C)c1ccc(CNC(=O)c2cc3c(s2)CCNC3)cc1F ZINC000852798212 1299894638 /nfs/dbraw/zinc/89/46/38/1299894638.db2.gz HWUVJJQFAGJLAX-UHFFFAOYSA-N 0 3 333.432 2.529 20 10 EFCDHN Cc1cccc([O-])c1C[NH+]1CCC(Oc2ccc(C(N)=O)cc2)CC1 ZINC001237492451 1313655535 /nfs/dbraw/zinc/65/55/35/1313655535.db2.gz QGNOJADMVGCHNN-UHFFFAOYSA-N 0 3 340.423 2.843 20 10 EFCDHN CCOc1cccc(N2CCN(Cc3c(C)cccc3O)CC2)n1 ZINC001237493517 1313656070 /nfs/dbraw/zinc/65/60/70/1313656070.db2.gz ZCVTUUFDDQYZAS-UHFFFAOYSA-N 0 3 327.428 2.817 20 10 EFCDHN CCCN1CC[C@H](NC(=O)c2csc(Cc3ccc(N)cc3)n2)C1 ZINC000852864131 1299919206 /nfs/dbraw/zinc/91/92/06/1299919206.db2.gz OHVNTNDHOXSVCU-HNNXBMFYSA-N 0 3 344.484 2.530 20 10 EFCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@@H](N4CCOC4=O)C3)c2c1 ZINC000853539492 1300155556 /nfs/dbraw/zinc/15/55/56/1300155556.db2.gz BDPXXMASVRDOGE-CQSZACIVSA-N 0 3 342.395 2.581 20 10 EFCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@@H](N4CCOC4=O)C3)c2c1 ZINC000853539492 1300155565 /nfs/dbraw/zinc/15/55/65/1300155565.db2.gz BDPXXMASVRDOGE-CQSZACIVSA-N 0 3 342.395 2.581 20 10 EFCDHN [O-]c1ccc(-c2ccc(F)cc2)cc1C[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC001237640712 1313682659 /nfs/dbraw/zinc/68/26/59/1313682659.db2.gz FICBAAIFYQQYOR-IBGZPJMESA-N 0 3 342.414 2.715 20 10 EFCDHN [O-]c1ccc(-c2ccc(F)cc2)cc1C[N@H+]1CCN2CCOC[C@@H]2C1 ZINC001237640712 1313682663 /nfs/dbraw/zinc/68/26/63/1313682663.db2.gz FICBAAIFYQQYOR-IBGZPJMESA-N 0 3 342.414 2.715 20 10 EFCDHN [O-]c1ccc(-c2ccc(F)cc2)cc1C[N@H+]1CCc2nncn2CC1 ZINC001237642101 1313682837 /nfs/dbraw/zinc/68/28/37/1313682837.db2.gz ZHCJMMNQVHLXON-UHFFFAOYSA-N 0 3 338.386 2.848 20 10 EFCDHN [O-]c1ccc(-c2ccc(F)cc2)cc1C[N@@H+]1CCc2nncn2CC1 ZINC001237642101 1313682839 /nfs/dbraw/zinc/68/28/39/1313682839.db2.gz ZHCJMMNQVHLXON-UHFFFAOYSA-N 0 3 338.386 2.848 20 10 EFCDHN COc1cc(CN2CCC(Oc3ccccn3)CC2)c(O)c(OC)c1 ZINC001237676981 1313689474 /nfs/dbraw/zinc/68/94/74/1313689474.db2.gz VMCVCAZPGKHHBC-UHFFFAOYSA-N 0 3 344.411 2.848 20 10 EFCDHN Cc1cc(Cl)cc(C[N@@H+]2C[C@H]3CN(CC4CC4)C(=O)[C@H]3C2)c1[O-] ZINC001237679735 1313690146 /nfs/dbraw/zinc/69/01/46/1313690146.db2.gz LRGCUPCMZHDZBC-HOCLYGCPSA-N 0 3 334.847 2.654 20 10 EFCDHN Cc1cc(Cl)cc(C[N@H+]2C[C@H]3CN(CC4CC4)C(=O)[C@H]3C2)c1[O-] ZINC001237679735 1313690148 /nfs/dbraw/zinc/69/01/48/1313690148.db2.gz LRGCUPCMZHDZBC-HOCLYGCPSA-N 0 3 334.847 2.654 20 10 EFCDHN Cc1cc([O-])c(C[NH+]2CCC(C)(C(N)=O)CC2)cc1Br ZINC001237679341 1313690196 /nfs/dbraw/zinc/69/01/96/1313690196.db2.gz PSTPKCVLIREJKY-UHFFFAOYSA-N 0 3 341.249 2.551 20 10 EFCDHN Cc1cc([O-])c(CN2CCC[C@H]3C[N@@H+](C)C[C@@H]32)cc1Br ZINC001237682954 1313690545 /nfs/dbraw/zinc/69/05/45/1313690545.db2.gz VKQIXUMDFAILTQ-WFASDCNBSA-N 0 3 339.277 2.989 20 10 EFCDHN Cc1cc([O-])c(CN2CCC[C@H]3C[N@H+](C)C[C@@H]32)cc1Br ZINC001237682954 1313690550 /nfs/dbraw/zinc/69/05/50/1313690550.db2.gz VKQIXUMDFAILTQ-WFASDCNBSA-N 0 3 339.277 2.989 20 10 EFCDHN Cc1cc([O-])c(C[N@H+](C)CCC2OCCO2)cc1Br ZINC001237683364 1313691108 /nfs/dbraw/zinc/69/11/08/1313691108.db2.gz YSXIMBCSENVDNY-UHFFFAOYSA-N 0 3 330.222 2.658 20 10 EFCDHN Cc1cc([O-])c(C[N@@H+](C)CCC2OCCO2)cc1Br ZINC001237683364 1313691111 /nfs/dbraw/zinc/69/11/11/1313691111.db2.gz YSXIMBCSENVDNY-UHFFFAOYSA-N 0 3 330.222 2.658 20 10 EFCDHN CCCCOC(=O)[C@@H]1CCN(Cc2cc(OC)cc(OC)c2O)C1 ZINC001237686470 1313691469 /nfs/dbraw/zinc/69/14/69/1313691469.db2.gz ZWOWHIMUPGETIQ-CYBMUJFWSA-N 0 3 337.416 2.575 20 10 EFCDHN Cc1cc(C)c2c(c1)C[N@@H+](Cc1cc3c(cc1[O-])OC[C@H]3O)CC2 ZINC000776774751 1300766240 /nfs/dbraw/zinc/76/62/40/1300766240.db2.gz NFPZRSYCZXLLIL-LJQANCHMSA-N 0 3 325.408 2.993 20 10 EFCDHN Cc1cc(C)c2c(c1)C[N@H+](Cc1cc3c(cc1[O-])OC[C@H]3O)CC2 ZINC000776774751 1300766247 /nfs/dbraw/zinc/76/62/47/1300766247.db2.gz NFPZRSYCZXLLIL-LJQANCHMSA-N 0 3 325.408 2.993 20 10 EFCDHN CCOc1ccc(C[NH2+][C@@H](C)C2CCN(C(=O)OC)CC2)c([O-])c1 ZINC000776808706 1300931750 /nfs/dbraw/zinc/93/17/50/1300931750.db2.gz UILQRSHPTJUWHE-ZDUSSCGKSA-N 0 3 336.432 2.747 20 10 EFCDHN CCOc1ccc(C[NH2+][C@H](C)C2CCN(C(=O)OC)CC2)c([O-])c1 ZINC000776808705 1300931937 /nfs/dbraw/zinc/93/19/37/1300931937.db2.gz UILQRSHPTJUWHE-CYBMUJFWSA-N 0 3 336.432 2.747 20 10 EFCDHN Cc1cncnc1O[C@H]1CCCN(Cc2cc(F)cc(C)c2O)C1 ZINC001238064702 1313754492 /nfs/dbraw/zinc/75/44/92/1313754492.db2.gz APDCAYBBFKTIQC-INIZCTEOSA-N 0 3 331.391 2.982 20 10 EFCDHN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NC[C@H]2CCCN2C)c1 ZINC000859362240 1301442467 /nfs/dbraw/zinc/44/24/67/1301442467.db2.gz SXSOFRKEOLDYHT-LJQANCHMSA-N 0 3 339.439 2.731 20 10 EFCDHN CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001018323513 1313813492 /nfs/dbraw/zinc/81/34/92/1313813492.db2.gz AUFGCLRWWWPODM-IYBDPMFKSA-N 0 3 343.431 2.938 20 10 EFCDHN CC[C@H](C)[N@H+](CCO)Cc1cc(Br)cc(OC)c1[O-] ZINC000862387896 1302363090 /nfs/dbraw/zinc/36/30/90/1302363090.db2.gz TWESTOXZPPPYOU-JTQLQIEISA-N 0 3 332.238 2.756 20 10 EFCDHN CC[C@H](C)[N@@H+](CCO)Cc1cc(Br)cc(OC)c1[O-] ZINC000862387896 1302363101 /nfs/dbraw/zinc/36/31/01/1302363101.db2.gz TWESTOXZPPPYOU-JTQLQIEISA-N 0 3 332.238 2.756 20 10 EFCDHN C[C@@H]1CN(Cc2cc3c(cc2O)OCO3)CC[C@@H]1C(=O)OC(C)(C)C ZINC000862485336 1302398687 /nfs/dbraw/zinc/39/86/87/1302398687.db2.gz KYMOXAARLDGVMR-OCCSQVGLSA-N 0 3 349.427 2.921 20 10 EFCDHN O=C([C@H]1CC12CC[NH+](Cc1cc(F)ccc1[O-])CC2)N1CC=CC1 ZINC001278256495 1313846288 /nfs/dbraw/zinc/84/62/88/1313846288.db2.gz GZSMENMVMAQAAZ-MRXNPFEDSA-N 0 3 330.403 2.532 20 10 EFCDHN O=C([C@H]1[C@@H]2CC[C@@H](C2)[C@H]1[NH2+]Cc1cc(F)ccc1[O-])N1CCCCO1 ZINC001278257025 1313846962 /nfs/dbraw/zinc/84/69/62/1313846962.db2.gz MTBSLFKYDQVHHW-XLQHLMKVSA-N 0 3 348.418 2.590 20 10 EFCDHN COCCCN1CCN(c2ccc(OCc3cccnc3)cc2)CC1 ZINC001209057144 1314082189 /nfs/dbraw/zinc/08/21/89/1314082189.db2.gz ZUBQLBDRZJIZIY-UHFFFAOYSA-N 0 3 341.455 2.819 20 10 EFCDHN Cc1cc(CN2CCC[C@@H]3C[N@@H+](C)C[C@H]32)c([O-])cc1Br ZINC001250128837 1315176375 /nfs/dbraw/zinc/17/63/75/1315176375.db2.gz MBHAACIHTSXXIE-IUODEOHRSA-N 0 3 339.277 2.989 20 10 EFCDHN Cc1cc(CN2CCC[C@@H]3C[N@H+](C)C[C@H]32)c([O-])cc1Br ZINC001250128837 1315176379 /nfs/dbraw/zinc/17/63/79/1315176379.db2.gz MBHAACIHTSXXIE-IUODEOHRSA-N 0 3 339.277 2.989 20 10 EFCDHN COc1cccc([O-])c1C[NH2+]CCCNC(=O)/C=C/c1ccccc1 ZINC000800313014 1307691213 /nfs/dbraw/zinc/69/12/13/1307691213.db2.gz ZVYKSPKNMXSZPG-VAWYXSNFSA-N 0 3 340.423 2.710 20 10 EFCDHN Cc1ccc(C)c(CN2CC[C@H]3C[C@]32C(=O)N2CCCCO2)c1O ZINC001278357448 1314255941 /nfs/dbraw/zinc/25/59/41/1314255941.db2.gz JERABVYJGNCWBF-HNAYVOBHSA-N 0 3 330.428 2.527 20 10 EFCDHN [O-]c1cccc(Br)c1CN1CCC[C@]2(CCC[NH2+]2)C1 ZINC001222356308 1311118732 /nfs/dbraw/zinc/11/87/32/1311118732.db2.gz YXEQTVLMPDRSRD-OAHLLOKOSA-N 0 3 325.250 2.873 20 10 EFCDHN CCN(C(=O)[C@H]1[C@H]2CC[C@@H]1CN(Cc1ccc(O)c(O)c1)C2)C(C)C ZINC001276913607 1311294653 /nfs/dbraw/zinc/29/46/53/1311294653.db2.gz GHQOZDPQAQOVED-HGKCTWBKSA-N 0 3 346.471 2.813 20 10 EFCDHN CCOc1ccc(N2CCCC3(CN(CCn4ccnc4)C3)C2)cc1 ZINC001276926793 1311312870 /nfs/dbraw/zinc/31/28/70/1311312870.db2.gz XYUDSRIGGCBODE-UHFFFAOYSA-N 0 3 340.471 2.884 20 10 EFCDHN CCCCN(Cc1ccccc1O)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000802169703 1311419875 /nfs/dbraw/zinc/41/98/75/1311419875.db2.gz QGDKSRXEMWFSQM-INIZCTEOSA-N 0 3 331.460 2.941 20 10 EFCDHN NC(=O)CC1CCC2(CC1)CC[NH+](Cc1ccc(O)cc1[O-])CC2 ZINC001277191426 1311780350 /nfs/dbraw/zinc/78/03/50/1311780350.db2.gz BVHLOUCSJZCMEF-UHFFFAOYSA-N 0 3 332.444 2.746 20 10 EFCDHN CC(C)(C)NC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1[NH2+]Cc1ccc(O)cc1[O-] ZINC001277192571 1311781919 /nfs/dbraw/zinc/78/19/19/1311781919.db2.gz PKWSATJSHUOUSA-FCLUMBPUSA-N 0 3 332.444 2.517 20 10 EFCDHN O=C(Nc1cn[nH]c1)[C@H]1CCC[C@@]12CC[N@@H+](Cc1ccccc1[O-])C2 ZINC001277442777 1312179666 /nfs/dbraw/zinc/17/96/66/1312179666.db2.gz ZSIDHFGXXGEWJQ-APWZRJJASA-N 0 3 340.427 2.746 20 10 EFCDHN O=C(Nc1cn[nH]c1)[C@H]1CCC[C@@]12CC[N@H+](Cc1ccccc1[O-])C2 ZINC001277442777 1312179669 /nfs/dbraw/zinc/17/96/69/1312179669.db2.gz ZSIDHFGXXGEWJQ-APWZRJJASA-N 0 3 340.427 2.746 20 10 EFCDHN O=C(Nc1cn[nH]c1)[C@H]1CCC[C@]12CC[N@@H+](Cc1ccccc1[O-])C2 ZINC001277442780 1312179705 /nfs/dbraw/zinc/17/97/05/1312179705.db2.gz ZSIDHFGXXGEWJQ-VQIMIIECSA-N 0 3 340.427 2.746 20 10 EFCDHN O=C(Nc1cn[nH]c1)[C@H]1CCC[C@]12CC[N@H+](Cc1ccccc1[O-])C2 ZINC001277442780 1312179707 /nfs/dbraw/zinc/17/97/07/1312179707.db2.gz ZSIDHFGXXGEWJQ-VQIMIIECSA-N 0 3 340.427 2.746 20 10 EFCDHN O=C([C@@H]1CCC[C@@]12CC[N@@H+](Cc1ccccc1[O-])C2)N1CC=CC1 ZINC001277446336 1312192111 /nfs/dbraw/zinc/19/21/11/1312192111.db2.gz OECWULUONYTHNN-PXNSSMCTSA-N 0 3 326.440 2.783 20 10 EFCDHN O=C([C@@H]1CCC[C@@]12CC[N@H+](Cc1ccccc1[O-])C2)N1CC=CC1 ZINC001277446336 1312192112 /nfs/dbraw/zinc/19/21/12/1312192112.db2.gz OECWULUONYTHNN-PXNSSMCTSA-N 0 3 326.440 2.783 20 10 EFCDHN COc1ccc(C[NH+]2CCC3(C=C(C(=O)N(C)C)CC3)CC2)c([O-])c1 ZINC001277456111 1312243348 /nfs/dbraw/zinc/24/33/48/1312243348.db2.gz BDAWCPKZFRZHLQ-UHFFFAOYSA-N 0 3 344.455 2.791 20 10 EFCDHN C[C@H]([NH2+]CCN1Cc2ccccc2OCC1=O)c1cc(F)ccc1[O-] ZINC000903180471 1312436711 /nfs/dbraw/zinc/43/67/11/1312436711.db2.gz COXCAOJLXDJGAM-ZDUSSCGKSA-N 0 3 344.386 2.603 20 10 EFCDHN O=C([C@H]1CC12C[NH+](Cc1c([O-])cccc1F)C2)N1CCCC12CC2 ZINC001277488898 1312438760 /nfs/dbraw/zinc/43/87/60/1312438760.db2.gz LKOSNQNYGDDFOK-CQSZACIVSA-N 0 3 330.403 2.508 20 10 EFCDHN O=C([C@H]1CC12CN(Cc1c(O)cccc1F)C2)N1CCCC12CC2 ZINC001277488898 1312438764 /nfs/dbraw/zinc/43/87/64/1312438764.db2.gz LKOSNQNYGDDFOK-CQSZACIVSA-N 0 3 330.403 2.508 20 10 EFCDHN Cc1cc(F)cc(CN2C[C@@H]3[C@H](C2)OCCN3C2CCCC2)c1O ZINC001277519662 1312499504 /nfs/dbraw/zinc/49/95/04/1312499504.db2.gz GWMCSNXYDVYHDG-MSOLQXFVSA-N 0 3 334.435 2.667 20 10 EFCDHN CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+][C@H](C)c1ccccc1[O-] ZINC000903267212 1312523239 /nfs/dbraw/zinc/52/32/39/1312523239.db2.gz BRRXGVCVDIVTGS-XNRPHZJLSA-N 0 3 336.432 2.677 20 10 EFCDHN COc1ccc(Br)c(CN(CCCO)C(C)C)c1O ZINC001231554535 1312524105 /nfs/dbraw/zinc/52/41/05/1312524105.db2.gz WYDSRMMJOCLXMP-UHFFFAOYSA-N 0 3 332.238 2.756 20 10 EFCDHN COC(=O)[C@H]1COCCC12C[NH+](Cc1c([O-])ccc3ccccc31)C2 ZINC001231591241 1312528990 /nfs/dbraw/zinc/52/89/90/1312528990.db2.gz ZJWCIJQXSGIBDN-QGZVFWFLSA-N 0 3 341.407 2.557 20 10 EFCDHN COc1cc(CN2CCC(Oc3ccncc3)CC2)c(O)cc1O ZINC001231634095 1312536360 /nfs/dbraw/zinc/53/63/60/1312536360.db2.gz IBQWUARKXKTSNQ-UHFFFAOYSA-N 0 3 330.384 2.545 20 10 EFCDHN COc1cc(CN2CCC[C@H](C(=O)OC(C)(C)C)C2)c(O)cc1O ZINC001231636025 1312536740 /nfs/dbraw/zinc/53/67/40/1312536740.db2.gz OMHXGAVERXAPPV-LBPRGKRZSA-N 0 3 337.416 2.660 20 10 EFCDHN COc1cc(CN2CCC[C@H](Oc3cccnc3)C2)c(O)cc1O ZINC001231635985 1312536880 /nfs/dbraw/zinc/53/68/80/1312536880.db2.gz NJPGMZXJLBABLY-HNNXBMFYSA-N 0 3 330.384 2.545 20 10 EFCDHN COc1cc(CN2CCC[C@H](Oc3ncccc3C)C2)c(O)cc1O ZINC001231639761 1312537557 /nfs/dbraw/zinc/53/75/57/1312537557.db2.gz JERANIVHRMSZMB-HNNXBMFYSA-N 0 3 344.411 2.853 20 10 EFCDHN CO[C@@H]1CCOC[C@H]1[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-] ZINC000903300201 1312551342 /nfs/dbraw/zinc/55/13/42/1312551342.db2.gz WKXGBZULZNQXCF-LERXQTSPSA-N 0 3 344.249 2.918 20 10 EFCDHN Cc1ccc(C[N@@H+]2C[C@H]3C[C@H](CC(=O)NC(C)(C)C)O[C@H]3C2)c([O-])c1 ZINC001277567359 1312566625 /nfs/dbraw/zinc/56/66/25/1312566625.db2.gz GDJYQGRBQHDQHL-NUJGCVRESA-N 0 3 346.471 2.595 20 10 EFCDHN Cc1ccc(C[N@H+]2C[C@H]3C[C@H](CC(=O)NC(C)(C)C)O[C@H]3C2)c([O-])c1 ZINC001277567359 1312566628 /nfs/dbraw/zinc/56/66/28/1312566628.db2.gz GDJYQGRBQHDQHL-NUJGCVRESA-N 0 3 346.471 2.595 20 10 EFCDHN Cc1ccc(C[NH2+]C23CC(C(=O)N4CC(F)(C5CC5)C4)(C2)C3)c([O-])c1 ZINC001277567652 1312566787 /nfs/dbraw/zinc/56/67/87/1312566787.db2.gz ONDVLNYHPYSSQA-UHFFFAOYSA-N 0 3 344.430 2.673 20 10 EFCDHN Cc1ccc(CN2CC3(C2)SCC[C@@H]3C(=O)NC(C)(C)C)c(O)c1 ZINC001277568815 1312568091 /nfs/dbraw/zinc/56/80/91/1312568091.db2.gz RGLDIGYKTRCWAY-OAHLLOKOSA-N 0 3 348.512 2.923 20 10 EFCDHN Cc1ccc(C[NH2+]C23CC(C(=O)N4CCCC45CC5)(C2)C3)c([O-])c1 ZINC001277568703 1312568218 /nfs/dbraw/zinc/56/82/18/1312568218.db2.gz UQQZLHZZVBYJIE-UHFFFAOYSA-N 0 3 326.440 2.868 20 10 EFCDHN Cc1ccc(CN2CC[C@@H]3C[C@@]32C(=O)N2CCCC23CC3)c(O)c1 ZINC001277569202 1312568746 /nfs/dbraw/zinc/56/87/46/1312568746.db2.gz YCXFKSMMSKRGSU-UZLBHIALSA-N 0 3 326.440 2.820 20 10 EFCDHN COc1cc(N(C)C)ccc1CN1CCC(C(=O)N2CCCC2)CC1 ZINC001231853147 1312575018 /nfs/dbraw/zinc/57/50/18/1312575018.db2.gz GRMWOCOUJPSRII-UHFFFAOYSA-N 0 3 345.487 2.596 20 10 EFCDHN COc1cc(N(C)C)ccc1CN1CC[C@H](Oc2cccnc2)C1 ZINC001231852994 1312575204 /nfs/dbraw/zinc/57/52/04/1312575204.db2.gz CXHSUWZDCFVOQZ-SFHVURJKSA-N 0 3 327.428 2.810 20 10 EFCDHN C[C@H]1CC[C@@H](CO)CN1Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001232194250 1312645933 /nfs/dbraw/zinc/64/59/33/1312645933.db2.gz GPZHUDBIYIUAOA-GOEBONIOSA-N 0 3 338.879 2.769 20 10 EFCDHN O=C1CCC[C@@H]2CN(Cc3ccc(N4CCOCC4)c(Cl)c3)C[C@H]12 ZINC001232204343 1312648968 /nfs/dbraw/zinc/64/89/68/1312648968.db2.gz LIUUDTCMNDVBCW-CVEARBPZSA-N 0 3 348.874 2.978 20 10 EFCDHN CCC[N@H+](Cc1cc(Cl)c([O-])cc1O)C1CCN(C(C)=O)CC1 ZINC001232262969 1312661087 /nfs/dbraw/zinc/66/10/87/1312661087.db2.gz YHIZNFKERDSEGF-UHFFFAOYSA-N 0 3 340.851 2.974 20 10 EFCDHN CCC[N@@H+](Cc1cc(Cl)c([O-])cc1O)C1CCN(C(C)=O)CC1 ZINC001232262969 1312661090 /nfs/dbraw/zinc/66/10/90/1312661090.db2.gz YHIZNFKERDSEGF-UHFFFAOYSA-N 0 3 340.851 2.974 20 10 EFCDHN COc1cc([O-])c(CN2CC3(C2)CC[N@H+](CC2CC2)C3)cc1Cl ZINC001232267816 1312662704 /nfs/dbraw/zinc/66/27/04/1312662704.db2.gz JLVGDAIHJMBPIK-UHFFFAOYSA-N 0 3 336.863 2.972 20 10 EFCDHN COc1cc([O-])c(CN2CC3(C2)CC[N@@H+](CC2CC2)C3)cc1Cl ZINC001232267816 1312662708 /nfs/dbraw/zinc/66/27/08/1312662708.db2.gz JLVGDAIHJMBPIK-UHFFFAOYSA-N 0 3 336.863 2.972 20 10 EFCDHN COc1c[nH+]ccc1Nc1cc2c(cc1[O-])C(=O)c1ccccc1C2=O ZINC001211263694 1314465651 /nfs/dbraw/zinc/46/56/51/1314465651.db2.gz ZLFVIXPFPFFFEI-UHFFFAOYSA-N 0 3 346.342 2.737 20 10 EFCDHN Fc1cc(C2=CC[C@H](N3CCOCC3)CC2)ccc1N1CCOCC1 ZINC001245427456 1314490010 /nfs/dbraw/zinc/49/00/10/1314490010.db2.gz PAOHCMMGCUILSA-SFHVURJKSA-N 0 3 346.446 2.930 20 10 EFCDHN CCN(Cc1ccc(N(C)C)cc1)[C@@H]1CN[C@H](C(=O)OC(C)(C)C)C1 ZINC001246920057 1314708365 /nfs/dbraw/zinc/70/83/65/1314708365.db2.gz IUZYBYRBJVLYGC-ROUUACIJSA-N 0 3 347.503 2.647 20 10 EFCDHN CC[N@H+](Cc1cc(I)cc(OC)c1[O-])C1CC1 ZINC001248387419 1314930775 /nfs/dbraw/zinc/93/07/75/1314930775.db2.gz XUYOAEAXDPPJHX-UHFFFAOYSA-N 0 3 347.196 2.990 20 10 EFCDHN CC[N@@H+](Cc1cc(I)cc(OC)c1[O-])C1CC1 ZINC001248387419 1314930781 /nfs/dbraw/zinc/93/07/81/1314930781.db2.gz XUYOAEAXDPPJHX-UHFFFAOYSA-N 0 3 347.196 2.990 20 10 EFCDHN COC(=O)Cc1ccc(C[NH+]2CCC(c3ccccn3)CC2)c([O-])c1 ZINC001249201314 1315032893 /nfs/dbraw/zinc/03/28/93/1315032893.db2.gz NZWHIVDGOXXGLA-UHFFFAOYSA-N 0 3 340.423 2.882 20 10 EFCDHN COC(=O)Cc1ccc(C[N@@H+]2CCOC[C@@H]2C2CCCCC2)c([O-])c1 ZINC001249216984 1315033862 /nfs/dbraw/zinc/03/38/62/1315033862.db2.gz JMHDQNHDIDFQSN-GOSISDBHSA-N 0 3 347.455 2.889 20 10 EFCDHN COC(=O)Cc1ccc(C[N@H+]2CCOC[C@@H]2C2CCCCC2)c([O-])c1 ZINC001249216984 1315033867 /nfs/dbraw/zinc/03/38/67/1315033867.db2.gz JMHDQNHDIDFQSN-GOSISDBHSA-N 0 3 347.455 2.889 20 10 EFCDHN CC1(C)C=Cc2c(O)c(CN3CCC[C@@]4(CNC(=O)O4)C3)ccc2O1 ZINC001249251976 1315039971 /nfs/dbraw/zinc/03/99/71/1315039971.db2.gz CUSBUQMKJQRIHT-LJQANCHMSA-N 0 3 344.411 2.651 20 10 EFCDHN CC1(C)C=Cc2c([O-])c(C[NH+]3CCC4(COC(=O)N4)CC3)ccc2O1 ZINC001249259041 1315040724 /nfs/dbraw/zinc/04/07/24/1315040724.db2.gz PPFBXWRHOAYJTN-UHFFFAOYSA-N 0 3 344.411 2.651 20 10 EFCDHN Cc1c2cccc(-c3noc(C[C@@H]([NH3+])c4ccccc4[O-])n3)c2nn1C ZINC001249339136 1315056428 /nfs/dbraw/zinc/05/64/28/1315056428.db2.gz JVOZXPCPCUGEOA-OAHLLOKOSA-N 0 3 349.394 2.880 20 10 EFCDHN CCOC(=O)CCCOc1ccc(C[N@H+](CC)CCOC)c([O-])c1 ZINC001249725534 1315127178 /nfs/dbraw/zinc/12/71/78/1315127178.db2.gz PRCOLXUUJQXKRQ-UHFFFAOYSA-N 0 3 339.432 2.583 20 10 EFCDHN CCOC(=O)CCCOc1ccc(C[N@@H+](CC)CCOC)c([O-])c1 ZINC001249725534 1315127182 /nfs/dbraw/zinc/12/71/82/1315127182.db2.gz PRCOLXUUJQXKRQ-UHFFFAOYSA-N 0 3 339.432 2.583 20 10 EFCDHN Cc1cc(O[C@H]2C[NH2+][C@H](C)C2)c2c(c1)C(=O)c1cccc([O-])c1C2=O ZINC001218039358 1315137572 /nfs/dbraw/zinc/13/75/72/1315137572.db2.gz HZZYCVLPXURRJO-VXGBXAGGSA-N 0 3 337.375 2.605 20 10 EFCDHN C[C@@H]1C[C@@H](Oc2cccc3c2C(=O)c2c([O-])cccc2C3=O)CC[NH2+]1 ZINC001218050230 1315139537 /nfs/dbraw/zinc/13/95/37/1315139537.db2.gz PVRLNZMADHQXGB-NEPJUHHUSA-N 0 3 337.375 2.687 20 10 EFCDHN O=C1c2cccc(OC3CC4(C3)CC[NH2+]C4)c2C(=O)c2cccc([O-])c21 ZINC001218060738 1315140679 /nfs/dbraw/zinc/14/06/79/1315140679.db2.gz OANWTGZWMPXERS-UHFFFAOYSA-N 0 3 349.386 2.689 20 10 EFCDHN O=C1c2ccccc2C(=O)c2c(O[C@H]3CCNC[C@H]3F)cccc21 ZINC001218068853 1315142284 /nfs/dbraw/zinc/14/22/84/1315142284.db2.gz XXWQJISTZZHYQM-CABCVRRESA-N 0 3 325.339 2.541 20 10 EFCDHN O=C1c2cccc(O[C@H]3CC[C@]34CC[NH2+]C4)c2C(=O)c2cccc([O-])c21 ZINC001218114895 1315151363 /nfs/dbraw/zinc/15/13/63/1315151363.db2.gz DNWWXCFARWPPPX-HRAATJIYSA-N 0 3 349.386 2.689 20 10 EFCDHN O=C1c2cccc(O[C@@H]3C[C@H]4CC[NH2+][C@H]4C3)c2C(=O)c2cccc([O-])c21 ZINC001218248467 1315171359 /nfs/dbraw/zinc/17/13/59/1315171359.db2.gz HDQPWTNRDSEJSI-JMSVASOKSA-N 0 3 349.386 2.687 20 10 EFCDHN Cc1cc(CN2CCN(C(C)C)CC2)c(O)cc1Br ZINC001250117431 1315174674 /nfs/dbraw/zinc/17/46/74/1315174674.db2.gz OZXOUKDDPDFCHF-UHFFFAOYSA-N 0 3 327.266 2.989 20 10 EFCDHN Cc1cc(C[N@H+](C)CCC2OCCO2)c([O-])cc1Br ZINC001250133704 1315177072 /nfs/dbraw/zinc/17/70/72/1315177072.db2.gz QAJSXGSPDWKOKJ-UHFFFAOYSA-N 0 3 330.222 2.658 20 10 EFCDHN Cc1cc(C[N@@H+](C)CCC2OCCO2)c([O-])cc1Br ZINC001250133704 1315177074 /nfs/dbraw/zinc/17/70/74/1315177074.db2.gz QAJSXGSPDWKOKJ-UHFFFAOYSA-N 0 3 330.222 2.658 20 10 EFCDHN CCC(=O)[C@H]1C[C@@H](Oc2ccc3c(c2)C(=O)c2ccccc2C3=O)CN1 ZINC001218328471 1315179798 /nfs/dbraw/zinc/17/97/98/1315179798.db2.gz SMYFYOOYPHQEGS-FZKQIMNGSA-N 0 3 349.386 2.550 20 10 EFCDHN C[C@@H]1CC[C@@H](Oc2cccc3c2C(=O)c2cccc([O-])c2C3=O)C[NH2+]1 ZINC001218408323 1315191733 /nfs/dbraw/zinc/19/17/33/1315191733.db2.gz USYIEUJOCUAYCZ-VXGBXAGGSA-N 0 3 337.375 2.687 20 10 EFCDHN C[C@H]1CC[C@@H](Oc2cccc3c2C(=O)c2cccc([O-])c2C3=O)C[NH2+]1 ZINC001218408321 1315191835 /nfs/dbraw/zinc/19/18/35/1315191835.db2.gz USYIEUJOCUAYCZ-NWDGAFQWSA-N 0 3 337.375 2.687 20 10 EFCDHN O=C1c2ccccc2C(=O)c2cc(O[C@@H]3CNCCC3(F)F)ccc21 ZINC001218451871 1315197892 /nfs/dbraw/zinc/19/78/92/1315197892.db2.gz HOUSLNQXGLUUHY-MRXNPFEDSA-N 0 3 343.329 2.838 20 10 EFCDHN O=C1c2cccc(O[C@@H]3CC[C@@H]4C[NH2+]C[C@H]34)c2C(=O)c2cccc([O-])c21 ZINC001218458415 1315199565 /nfs/dbraw/zinc/19/95/65/1315199565.db2.gz AWMOHIDQQYEQBZ-DIOULYMOSA-N 0 3 349.386 2.544 20 10 EFCDHN C[C@@H]1CC[NH2+]C[C@@H]1Oc1cccc2c1C(=O)c1c([O-])cccc1C2=O ZINC001218482026 1315202815 /nfs/dbraw/zinc/20/28/15/1315202815.db2.gz QPCXTDQBEHAXLU-BZNIZROVSA-N 0 3 337.375 2.544 20 10 EFCDHN CN1CC2(C1)CCCN(Cc1ccc(N3CCOCC3)cc1Cl)C2 ZINC001276791504 1315225571 /nfs/dbraw/zinc/22/55/71/1315225571.db2.gz YRJVGFJLWUMHNY-UHFFFAOYSA-N 0 3 349.906 2.704 20 10 EFCDHN [O-]c1cccc2c1C[N@H+](C[C@@H](O)COc1ccc(Cl)cc1)CC2 ZINC001250672243 1315239932 /nfs/dbraw/zinc/23/99/32/1315239932.db2.gz UMXTTZMEVSIJOE-OAHLLOKOSA-N 0 3 333.815 2.844 20 10 EFCDHN [O-]c1cccc2c1C[N@@H+](C[C@@H](O)COc1ccc(Cl)cc1)CC2 ZINC001250672243 1315239936 /nfs/dbraw/zinc/23/99/36/1315239936.db2.gz UMXTTZMEVSIJOE-OAHLLOKOSA-N 0 3 333.815 2.844 20 10 EFCDHN CC(C)(C)[C@H]([NH3+])CC(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001220212307 1315385429 /nfs/dbraw/zinc/38/54/29/1315385429.db2.gz DEYKRTQRDNHPDQ-CYBMUJFWSA-N 0 3 335.835 2.974 20 10 EFCDHN O=C(C[C@@H]1CCC[NH2+]C1)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001220212621 1315385875 /nfs/dbraw/zinc/38/58/75/1315385875.db2.gz QJTGQFSBNHFLAU-NSHDSACASA-N 0 3 333.819 2.600 20 10 EFCDHN CCOc1ccc(CN2C[C@@H]3CN(C4CCCC4)C[C@H](C2)O3)c(O)c1 ZINC001276814005 1315422174 /nfs/dbraw/zinc/42/21/74/1315422174.db2.gz AEJXOYUGJOLLDU-KDURUIRLSA-N 0 3 346.471 2.619 20 10 EFCDHN CN1CC2(C1)CCC[N@H+](Cc1ccc(OCC(F)(F)F)cc1[O-])C2 ZINC001276815785 1315445865 /nfs/dbraw/zinc/44/58/65/1315445865.db2.gz ZUWYBHUMQJUIAH-UHFFFAOYSA-N 0 3 344.377 2.861 20 10 EFCDHN CN1CC2(C1)CCC[N@@H+](Cc1ccc(OCC(F)(F)F)cc1[O-])C2 ZINC001276815785 1315445869 /nfs/dbraw/zinc/44/58/69/1315445869.db2.gz ZUWYBHUMQJUIAH-UHFFFAOYSA-N 0 3 344.377 2.861 20 10 EFCDHN [O-]c1cc(O)ccc1C[NH2+]C[C@@H](O)COc1cccc2ccccc21 ZINC001252397713 1315446610 /nfs/dbraw/zinc/44/66/10/1315446610.db2.gz AUDJNRBJGOLXIN-QGZVFWFLSA-N 0 3 339.391 2.781 20 10 EFCDHN Cc1cc(C)c(CNC(=O)[C@@H](N)CCCc2ccccc2)c(O)c1 ZINC001220825648 1315454069 /nfs/dbraw/zinc/45/40/69/1315454069.db2.gz POHODZWKEUSJKZ-SFHVURJKSA-N 0 3 326.440 2.975 20 10 EFCDHN [O-]c1cccc2c1C[N@H+](C[C@H](O)CCOCc1ccccc1)CC2 ZINC001253272312 1315587339 /nfs/dbraw/zinc/58/73/39/1315587339.db2.gz KKJABHXPWATLLP-GOSISDBHSA-N 0 3 327.424 2.718 20 10 EFCDHN [O-]c1cccc2c1C[N@@H+](C[C@H](O)CCOCc1ccccc1)CC2 ZINC001253272312 1315587341 /nfs/dbraw/zinc/58/73/41/1315587341.db2.gz KKJABHXPWATLLP-GOSISDBHSA-N 0 3 327.424 2.718 20 10 EFCDHN COc1ccc(CNC[C@](C)(O)C(=O)OCc2ccccc2)cc1C ZINC001253660133 1315625165 /nfs/dbraw/zinc/62/51/65/1315625165.db2.gz GNZBRVWNWOIQNE-FQEVSTJZSA-N 0 3 343.423 2.588 20 10 EFCDHN CC(C)(C)OC(=O)N1CC[C@@H]([N@@H+]2CCc3cccc([O-])c3C2)CC1=O ZINC001254257678 1315687772 /nfs/dbraw/zinc/68/77/72/1315687772.db2.gz XQFPMJZSQGEXFV-CQSZACIVSA-N 0 3 346.427 2.676 20 10 EFCDHN CC(C)(C)OC(=O)N1CC[C@@H]([N@H+]2CCc3cccc([O-])c3C2)CC1=O ZINC001254257678 1315687774 /nfs/dbraw/zinc/68/77/74/1315687774.db2.gz XQFPMJZSQGEXFV-CQSZACIVSA-N 0 3 346.427 2.676 20 10 EFCDHN C[N@H+](Cc1ccccc1[O-])[C@@H]1CCN(C(=O)OC(C)(C)C)C(=O)C1 ZINC001254259661 1315688742 /nfs/dbraw/zinc/68/87/42/1315688742.db2.gz STYGZIGZHIAUBI-CQSZACIVSA-N 0 3 334.416 2.750 20 10 EFCDHN C[N@@H+](Cc1ccccc1[O-])[C@@H]1CCN(C(=O)OC(C)(C)C)C(=O)C1 ZINC001254259661 1315688744 /nfs/dbraw/zinc/68/87/44/1315688744.db2.gz STYGZIGZHIAUBI-CQSZACIVSA-N 0 3 334.416 2.750 20 10 EFCDHN CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]([NH2+]Cc3ccc(O)cc3[O-])C[C@@H]2C1 ZINC001254890897 1315755812 /nfs/dbraw/zinc/75/58/12/1315755812.db2.gz JZOITILNFFUJRH-QDMKHBRRSA-N 0 3 348.443 2.833 20 10 EFCDHN COc1ccc(N2CCN(C3C[C@H]4CC(=O)C[C@@H]4C3)CC2)c(C)c1 ZINC001254963959 1315766043 /nfs/dbraw/zinc/76/60/43/1315766043.db2.gz MUBLZNXATLAAEK-HOTGVXAUSA-N 0 3 328.456 2.883 20 10 EFCDHN CCOC(=O)[C@@H]1CCC[C@@H](N2CCCc3cc(O)c(O)cc3C2)C1 ZINC001255375691 1315812219 /nfs/dbraw/zinc/81/22/19/1315812219.db2.gz BYQUCYXRNWHJER-GDBMZVCRSA-N 0 3 333.428 2.968 20 10 EFCDHN COc1ccc(N2CCN(C[C@H](O)[C@H](C)c3ccccc3)CC2)cc1 ZINC000827311383 1315977590 /nfs/dbraw/zinc/97/75/90/1315977590.db2.gz ZDSFHKNVJKRWND-UTKZUKDTSA-N 0 3 340.467 2.982 20 10 EFCDHN CCOC(=O)CCC[C@H](C)N1CCN(c2ccc(OC)cc2)CC1 ZINC001258116048 1316119656 /nfs/dbraw/zinc/11/96/56/1316119656.db2.gz BALMQKYTXKDNJK-INIZCTEOSA-N 0 3 334.460 2.939 20 10 EFCDHN O=C1CC[C@@H]([NH2+]Cc2ccc(O)cc2[O-])CCN1Cc1ccccc1 ZINC001258570037 1316163459 /nfs/dbraw/zinc/16/34/59/1316163459.db2.gz GVEYTIKXPQDUFJ-QGZVFWFLSA-N 0 3 340.423 2.769 20 10 EFCDHN C[C@@H]1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CN1CCCF ZINC001072102267 1316357650 /nfs/dbraw/zinc/35/76/50/1316357650.db2.gz NXGTWICFYUMUOM-DOMZBBRYSA-N 0 3 349.410 2.791 20 10 EFCDHN COCC(C)(C)N1CCN(Cc2ccc(N3CCCC3)cc2)CC1 ZINC001261441593 1316412246 /nfs/dbraw/zinc/41/22/46/1316412246.db2.gz QIQIUVBEZZPJGK-UHFFFAOYSA-N 0 3 331.504 2.829 20 10 EFCDHN CCCN(C(=O)NCc1ccc(N(C)C)cc1C)[C@@H]1CCN(C)C1 ZINC001261453410 1316413027 /nfs/dbraw/zinc/41/30/27/1316413027.db2.gz FIACTUMVUSKVHD-GOSISDBHSA-N 0 3 332.492 2.687 20 10 EFCDHN COc1ccc(CN[C@@H]2CN(C)Cc3ccccc32)c(O)c1OC ZINC001262364529 1316464219 /nfs/dbraw/zinc/46/42/19/1316464219.db2.gz ZSXUGNIQMAOYCP-MRXNPFEDSA-N 0 3 328.412 2.686 20 10 EFCDHN CCOC(=O)CCCCN1CCN(c2ccc(OCC)cc2)CC1 ZINC001319613276 1328929075 /nfs/dbraw/zinc/92/90/75/1328929075.db2.gz TXMWNXFOULOALL-UHFFFAOYSA-N 0 3 334.460 2.941 20 10 EFCDHN CC[C@H]1CN(Cc2ccc(N3CCN(C)CC3)c(F)c2)CCS1 ZINC001319711898 1328959714 /nfs/dbraw/zinc/95/97/14/1328959714.db2.gz KAERGJUXDKSDQQ-INIZCTEOSA-N 0 3 337.508 2.905 20 10 EFCDHN C[C@@H]1SCCN(Cc2ccc(N3CCN(C)CC3)c(F)c2)[C@H]1C ZINC001319712629 1328960294 /nfs/dbraw/zinc/96/02/94/1328960294.db2.gz PTRJIWAOMLUQKG-GJZGRUSLSA-N 0 3 337.508 2.903 20 10 EFCDHN CCOc1ccc(N2CCN(CCCSCCOC)CC2)cc1 ZINC001321326238 1329373424 /nfs/dbraw/zinc/37/34/24/1329373424.db2.gz IAVCKAQVHLXHCK-UHFFFAOYSA-N 0 3 338.517 2.977 20 10 EFCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCN2CCC(CO)CC2)c1[O-] ZINC001324125685 1329601694 /nfs/dbraw/zinc/60/16/94/1329601694.db2.gz OYRIFUUUBBRJPC-ZDUSSCGKSA-N 0 3 326.868 2.709 20 10 EFCDHN COc1ccc(N2CC[C@@H](CNC(=O)[C@@H](N)C3CCCCC3)C2)cc1 ZINC001326315732 1329746584 /nfs/dbraw/zinc/74/65/84/1329746584.db2.gz BNDBGCOSJHGTFR-KXBFYZLASA-N 0 3 345.487 2.545 20 10 EFCDHN CN(C)c1cc(F)c(CNC[C@H](CO)CC2CCOCC2)cc1F ZINC001328772552 1330630170 /nfs/dbraw/zinc/63/01/70/1330630170.db2.gz UTHNVRDNJMEACZ-CQSZACIVSA-N 0 3 342.430 2.546 20 10 EFCDHN Cc1ccc(CN2CCCN(C(=O)Cc3ccc(N)cc3)CC2)cc1 ZINC001329254249 1330686273 /nfs/dbraw/zinc/68/62/73/1330686273.db2.gz XTSLJSWQAFHRND-UHFFFAOYSA-N 0 3 337.467 2.854 20 10 EFCDHN COC(=O)C1(CNCc2cc(F)c(N(C)C)cc2F)CCCC1 ZINC001331271001 1330813190 /nfs/dbraw/zinc/81/31/90/1330813190.db2.gz IQINGOKWDGGZSC-UHFFFAOYSA-N 0 3 326.387 2.854 20 10 EFCDHN CCCN(C(=O)NCc1ccc(N2CC=CC2)cc1)[C@@H]1CCN(C)C1 ZINC001332086604 1330916314 /nfs/dbraw/zinc/91/63/14/1330916314.db2.gz BPSMXFHNPWRIPU-LJQANCHMSA-N 0 3 342.487 2.689 20 10 EFCDHN C[C@@H](NC(=O)[C@H](N)C1CCCCC1)c1ccc(N2CCOCC2)cc1 ZINC001332516831 1330979731 /nfs/dbraw/zinc/97/97/31/1330979731.db2.gz MNBPQGGLHITDGQ-DNVCBOLYSA-N 0 3 345.487 2.608 20 10 EFCDHN Cc1c([C@H](C)NCc2ccc(N3CCC(O)CC3)cc2)cnn1C ZINC001333319596 1331115324 /nfs/dbraw/zinc/11/53/24/1331115324.db2.gz HVFOGAYAMYGNHX-AWEZNQCLSA-N 0 3 328.460 2.540 20 10 EFCDHN Cc1ccc(CN2CC[C@@H](NC(=O)NCc3ccc(N)cc3)C2)cc1 ZINC001336160018 1331441116 /nfs/dbraw/zinc/44/11/16/1331441116.db2.gz QKYVWFIAVNBPNJ-LJQANCHMSA-N 0 3 338.455 2.651 20 10 EFCDHN Nc1ccc(CNC(=O)NC[C@H](c2ccccc2)N2CCCC2)cc1 ZINC001336734705 1331497990 /nfs/dbraw/zinc/49/79/90/1331497990.db2.gz CJAYVDQMPTTYAM-LJQANCHMSA-N 0 3 338.455 2.905 20 10 EFCDHN CC[C@H](N[C@@H](C)C(=O)NCC(F)(F)F)c1ccc(N(C)C)cc1 ZINC001337294853 1331558401 /nfs/dbraw/zinc/55/84/01/1331558401.db2.gz TXDIQFQPGYSVIH-FZMZJTMJSA-N 0 3 331.382 2.860 20 10 EFCDHN C[C@H]([NH2+]CCN1C(=O)COc2ccccc21)c1cc(F)ccc1[O-] ZINC001337796460 1331599592 /nfs/dbraw/zinc/59/95/92/1331599592.db2.gz UUGWIHJEUOBJFX-LBPRGKRZSA-N 0 3 330.359 2.608 20 10 EFCDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCc1ccc(N)cc1 ZINC001338580603 1331717867 /nfs/dbraw/zinc/71/78/67/1331717867.db2.gz AUPSQVBNZKDCRA-DNVCBOLYSA-N 0 3 338.455 2.589 20 10 EFCDHN Cc1nn(CCO)c(C)c1CN(Cc1ccc(N(C)C)cc1)C(C)C ZINC001341523249 1332264971 /nfs/dbraw/zinc/26/49/71/1332264971.db2.gz KSRNPIRHUKLTMR-UHFFFAOYSA-N 0 3 344.503 2.969 20 10 EFCDHN COC(=O)C[C@H]1CSCCN1Cc1ccc(N2CCCC2)cc1 ZINC001341569625 1332268639 /nfs/dbraw/zinc/26/86/39/1332268639.db2.gz RQKYCKSGFTUKIA-KRWDZBQOSA-N 0 3 334.485 2.767 20 10 EFCDHN Cc1cccc(CN(CCN(C)C)C(=O)NCc2ccc(N)cc2)c1 ZINC001346738746 1332680662 /nfs/dbraw/zinc/68/06/62/1332680662.db2.gz KCYXYMVZCOUPSF-UHFFFAOYSA-N 0 3 340.471 2.851 20 10 EFCDHN Cc1ncncc1[C@H](C)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000848526803 1334775344 /nfs/dbraw/zinc/77/53/44/1334775344.db2.gz IEHCAZOVAOINJL-HNNXBMFYSA-N 0 3 340.471 2.845 20 10 EFCDHN COc1ccc(N2CC[C@@H](CN[C@H]3CCCn4ccnc43)C2)cc1 ZINC000848553102 1334791380 /nfs/dbraw/zinc/79/13/80/1334791380.db2.gz IHNVQSJWYHKMNQ-YJBOKZPZSA-N 0 3 326.444 2.843 20 10 EFCDHN COc1cccc2c1OCC[C@@H]2NCc1cc2c(cc1O)OCO2 ZINC000848574821 1334802806 /nfs/dbraw/zinc/80/28/06/1334802806.db2.gz IYONOYYWVDAAGP-ZDUSSCGKSA-N 0 3 329.352 2.743 20 10 EFCDHN CCc1cccc(CN[C@](C)(CC(=O)OC)c2ccncc2)c1O ZINC000848903815 1334974688 /nfs/dbraw/zinc/97/46/88/1334974688.db2.gz DWCGGSOMGQFDOK-LJQANCHMSA-N 0 3 328.412 2.918 20 10 EFCDHN CN(C)c1ccc(CN2CCC([C@H]3NC(=O)C3(C)C)CC2)cc1F ZINC000848918586 1334985230 /nfs/dbraw/zinc/98/52/30/1334985230.db2.gz DYEDMJJRXAEVHY-QGZVFWFLSA-N 0 3 333.451 2.628 20 10 EFCDHN CC(C)n1cnc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)c1 ZINC000891246297 714133265 /nfs/dbraw/zinc/13/32/65/714133265.db2.gz BXKKCTSLHSFUPZ-GOSISDBHSA-N 0 3 343.475 2.563 20 10 EFCDHN C[C@@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)C(C)(F)F ZINC000891246295 714133274 /nfs/dbraw/zinc/13/32/74/714133274.db2.gz BXJYHBKTOFAERV-SWLSCSKDSA-N 0 3 327.419 2.763 20 10 EFCDHN Cc1cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)ccc1O ZINC000891246393 714133555 /nfs/dbraw/zinc/13/35/55/714133555.db2.gz BZCVZDXPCQCADC-SFHVURJKSA-N 0 3 341.455 2.799 20 10 EFCDHN COC1(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)CCCCC1 ZINC000891247559 714135754 /nfs/dbraw/zinc/13/57/54/714135754.db2.gz IEQMHMZZRDIRHJ-GOSISDBHSA-N 0 3 347.503 2.821 20 10 EFCDHN CCC[C@@H](OCC)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891248258 714137522 /nfs/dbraw/zinc/13/75/22/714137522.db2.gz XFULUQMRSQUZRE-ZWKOTPCHSA-N 0 3 335.492 2.677 20 10 EFCDHN C[C@@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)c1ccccn1 ZINC000891249800 714139200 /nfs/dbraw/zinc/13/92/00/714139200.db2.gz SXBKZTSTNVIXBL-DNVCBOLYSA-N 0 3 340.471 2.670 20 10 EFCDHN C[C@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)c1ccccn1 ZINC000891249802 714139328 /nfs/dbraw/zinc/13/93/28/714139328.db2.gz SXBKZTSTNVIXBL-HNAYVOBHSA-N 0 3 340.471 2.670 20 10 EFCDHN CCc1occc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891249810 714139357 /nfs/dbraw/zinc/13/93/57/714139357.db2.gz SYEGHBZFAXJHKW-QGZVFWFLSA-N 0 3 329.444 2.941 20 10 EFCDHN COCC1(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)CCCC1 ZINC000891249833 714139383 /nfs/dbraw/zinc/13/93/83/714139383.db2.gz TXIRCVYMZYZQTO-SFHVURJKSA-N 0 3 347.503 2.678 20 10 EFCDHN Cc1coc(C)c1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891249865 714139458 /nfs/dbraw/zinc/13/94/58/714139458.db2.gz UEMALSAYVUBUDW-KRWDZBQOSA-N 0 3 329.444 2.995 20 10 EFCDHN CC[C@@H]1C[C@@H](C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)CCO1 ZINC000891249890 714139491 /nfs/dbraw/zinc/13/94/91/714139491.db2.gz XNZUOKSYVAVFBG-QXAKKESOSA-N 0 3 347.503 2.677 20 10 EFCDHN COCCC[C@@H](C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891248758 714139883 /nfs/dbraw/zinc/13/98/83/714139883.db2.gz NUGPDGHXDVIHLN-CRAIPNDOSA-N 0 3 335.492 2.534 20 10 EFCDHN C[C@@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)C(F)(F)F ZINC000891250485 714140810 /nfs/dbraw/zinc/14/08/10/714140810.db2.gz AGQZMPHWMVFSSH-SMDDNHRTSA-N 0 3 331.382 2.670 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)C2CCSCC2)N(C)C)cc1 ZINC000891251944 714142492 /nfs/dbraw/zinc/14/24/92/714142492.db2.gz IILJIYRGSYFSNU-KRWDZBQOSA-N 0 3 335.517 2.615 20 10 EFCDHN COc1ccsc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891252670 714145418 /nfs/dbraw/zinc/14/54/18/714145418.db2.gz MBJTWPURKBZIPQ-HNNXBMFYSA-N 0 3 347.484 2.855 20 10 EFCDHN CC(C)n1nccc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891252429 714145667 /nfs/dbraw/zinc/14/56/67/714145667.db2.gz LFBCHWUEIPUXSN-SFHVURJKSA-N 0 3 343.475 2.563 20 10 EFCDHN CCO[C@@H](CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)C(C)C ZINC000891252753 714145816 /nfs/dbraw/zinc/14/58/16/714145816.db2.gz NPGIQFQLHFQRQT-OALUTQOASA-N 0 3 349.519 2.923 20 10 EFCDHN CCO[C@@H](CC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)C(C)C ZINC000891252752 714145915 /nfs/dbraw/zinc/14/59/15/714145915.db2.gz NPGIQFQLHFQRQT-MOPGFXCFSA-N 0 3 349.519 2.923 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=O)CCC2CCOCC2)N(C)C)cc1 ZINC000891253116 714146248 /nfs/dbraw/zinc/14/62/48/714146248.db2.gz QTZZUHRYQKHOKP-LJQANCHMSA-N 0 3 347.503 2.678 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@H]2Cc3ccccc32)N(C)C)cc1 ZINC000891253178 714146480 /nfs/dbraw/zinc/14/64/80/714146480.db2.gz RFTCOCQAMPHGJX-VQTJNVASSA-N 0 3 337.467 2.811 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2Cc3ccccc32)N(C)C)cc1 ZINC000891253180 714146537 /nfs/dbraw/zinc/14/65/37/714146537.db2.gz RFTCOCQAMPHGJX-WOJBJXKFSA-N 0 3 337.467 2.811 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)c2ccc(Cl)cn2)N(C)C)cc1 ZINC000891252364 714146853 /nfs/dbraw/zinc/14/68/53/714146853.db2.gz JYNSMLBWZKMHQT-KRWDZBQOSA-N 0 3 346.862 2.834 20 10 EFCDHN COCCC1(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)CCC1 ZINC000891253862 714148050 /nfs/dbraw/zinc/14/80/50/714148050.db2.gz UYSMWYRFAAMIGA-GOSISDBHSA-N 0 3 347.503 2.678 20 10 EFCDHN Cc1ncsc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891256535 714150949 /nfs/dbraw/zinc/15/09/49/714150949.db2.gz ZEDMNCSJAGUKIJ-HNNXBMFYSA-N 0 3 332.473 2.550 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)c2cc(Cl)c[nH]2)N(C)C)cc1 ZINC000891256512 714150967 /nfs/dbraw/zinc/15/09/67/714150967.db2.gz YWVWZKSRLVUBEM-INIZCTEOSA-N 0 3 334.851 2.767 20 10 EFCDHN Cc1ncsc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891256537 714151047 /nfs/dbraw/zinc/15/10/47/714151047.db2.gz ZEDMNCSJAGUKIJ-OAHLLOKOSA-N 0 3 332.473 2.550 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=O)c2cc(C3CC3)on2)N(C)C)cc1 ZINC000891255437 714151781 /nfs/dbraw/zinc/15/17/81/714151781.db2.gz PFGSPLGDOQBXBF-QGZVFWFLSA-N 0 3 342.443 2.651 20 10 EFCDHN C[C@@H](NC(=O)NC[C@@H]1NCCc2ccccc21)c1ccccc1O ZINC000892118725 715261940 /nfs/dbraw/zinc/26/19/40/715261940.db2.gz HQQNUSDPDDVXFA-DYVFJYSZSA-N 0 3 325.412 2.639 20 10 EFCDHN COc1ccc2ccc([O-])c(C[NH+]3CCC(N(C)C(C)=O)CC3)c2c1 ZINC000052085421 715981905 /nfs/dbraw/zinc/98/19/05/715981905.db2.gz XXIPQSTUUJXSAH-UHFFFAOYSA-N 0 3 342.439 2.997 20 10 EFCDHN COc1ccc(CNCc2cccc(NC(C)=O)c2)c(O)c1OC ZINC000892569839 718295239 /nfs/dbraw/zinc/29/52/39/718295239.db2.gz GXCDHJIYSGIVNQ-UHFFFAOYSA-N 0 3 330.384 2.658 20 10 EFCDHN Cc1n[nH]cc1[C@@H](C)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000305797959 724549016 /nfs/dbraw/zinc/54/90/16/724549016.db2.gz CVYAZWAXJDDYJM-CQSZACIVSA-N 0 3 328.460 2.778 20 10 EFCDHN COc1ccc(CNCc2cccc3c2OCCCO3)c(O)c1OC ZINC000893141590 719730080 /nfs/dbraw/zinc/73/00/80/719730080.db2.gz HBCJVHKKTHWAND-UHFFFAOYSA-N 0 3 345.395 2.861 20 10 EFCDHN CC[C@@H]1CN(C(C)=O)[C@H](CC)CN1Cc1cc(C)cc(OC)c1O ZINC000894053318 720252939 /nfs/dbraw/zinc/25/29/39/720252939.db2.gz JBHLGVFVNBSIRC-IAGOWNOFSA-N 0 3 334.460 2.931 20 10 EFCDHN [O-]c1c(F)cc(F)cc1CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000894063542 720259542 /nfs/dbraw/zinc/25/95/42/720259542.db2.gz DATKOHVGKOTPPR-UHFFFAOYSA-N 0 3 340.414 2.747 20 10 EFCDHN COc1cc(Br)cc(C[NH2+][C@H](CO)C(C)(C)C)c1[O-] ZINC000194632318 721045398 /nfs/dbraw/zinc/04/53/98/721045398.db2.gz KKOUUTYLQSXNHL-GFCCVEGCSA-N 0 3 332.238 2.660 20 10 EFCDHN COc1cc(C)cc(CNCc2cnn(CC(F)(F)F)c2)c1O ZINC000894346805 722154858 /nfs/dbraw/zinc/15/48/58/722154858.db2.gz ANYXZTZJLVEMFY-UHFFFAOYSA-N 0 3 329.322 2.758 20 10 EFCDHN COc1cc(C)cc(CN[C@@H](C[S@@](C)=O)c2ccccc2)c1O ZINC000894424673 722732936 /nfs/dbraw/zinc/73/29/36/722732936.db2.gz LBQTVXTUOYSYEX-QMHKHESXSA-N 0 3 333.453 2.919 20 10 EFCDHN CCN(CC)c1ccc(CN2CCC(N3CN=NC3=O)CC2)cc1 ZINC000894609263 722792279 /nfs/dbraw/zinc/79/22/79/722792279.db2.gz OYNZHCOFWDGTTQ-UHFFFAOYSA-N 0 3 329.448 2.667 20 10 EFCDHN COc1cc(C)cc(CN[C@H](C)C(=O)NCCc2ccccc2)c1O ZINC000894970421 723039000 /nfs/dbraw/zinc/03/90/00/723039000.db2.gz YMQVNHOFOSBSRC-OAHLLOKOSA-N 0 3 342.439 2.546 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=O)NCCC(C)(F)F)N(C)C)cc1 ZINC000895069838 723173104 /nfs/dbraw/zinc/17/31/04/723173104.db2.gz QZIXOSZCUGZOJY-OAHLLOKOSA-N 0 3 342.434 2.700 20 10 EFCDHN Cc1nn(C)c2ncc(CNCc3ccc4c(c3)CCCN4C)cc12 ZINC000237189514 723239397 /nfs/dbraw/zinc/23/93/97/723239397.db2.gz VZCVLBJTHRHSSJ-UHFFFAOYSA-N 0 3 335.455 2.949 20 10 EFCDHN Cc1cc(CN[C@@H]2CCCS(=O)(=O)C2)c(C)n1-c1ccccc1 ZINC000320662454 723336268 /nfs/dbraw/zinc/33/62/68/723336268.db2.gz KCVUDBTZVLQTKL-QGZVFWFLSA-N 0 3 332.469 2.761 20 10 EFCDHN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N(C)[C@H]1CCCN(C)C1 ZINC000895393892 724108998 /nfs/dbraw/zinc/10/89/98/724108998.db2.gz JCQKJMJETUZDBY-LPHOPBHVSA-N 0 3 346.519 2.728 20 10 EFCDHN COc1ccc(C2=NO[C@H](C[NH2+]Cc3cc(F)ccc3[O-])C2)cc1F ZINC000895502789 724162697 /nfs/dbraw/zinc/16/26/97/724162697.db2.gz GFPKNMMVHNGSDF-AWEZNQCLSA-N 0 3 348.349 2.962 20 10 EFCDHN COc1ccc(C2=NO[C@@H](C[NH2+]Cc3cc(F)ccc3[O-])C2)cc1F ZINC000895502790 724162920 /nfs/dbraw/zinc/16/29/20/724162920.db2.gz GFPKNMMVHNGSDF-CQSZACIVSA-N 0 3 348.349 2.962 20 10 EFCDHN COc1ccc(C2=NO[C@@H](C[NH2+]Cc3ccccc3[O-])C2)cc1F ZINC000895504452 724164010 /nfs/dbraw/zinc/16/40/10/724164010.db2.gz UNJWRGRWVDWVQO-CQSZACIVSA-N 0 3 330.359 2.823 20 10 EFCDHN CCO/C=C/[C@@](O)(C[NH2+]Cc1ccc(OCC)cc1[O-])C(F)(F)F ZINC000895709219 724279840 /nfs/dbraw/zinc/27/98/40/724279840.db2.gz XXMORCRBZDYYDY-MVGZEHJDSA-N 0 3 349.349 2.724 20 10 EFCDHN C[C@@H]([NH2+][C@H]1COCCN(C(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC000895850615 724350366 /nfs/dbraw/zinc/35/03/66/724350366.db2.gz CJEVWPWPAWLLMD-ZIAGYGMSSA-N 0 3 336.432 2.679 20 10 EFCDHN [O-]c1ccccc1C[N@H+](CCOC[C@@H]1CCCO1)C[C@@H]1CCCO1 ZINC000152293391 725989285 /nfs/dbraw/zinc/98/92/85/725989285.db2.gz CLKRDKCUQZIMGW-ROUUACIJSA-N 0 3 335.444 2.569 20 10 EFCDHN [O-]c1ccccc1C[N@@H+](CCOC[C@@H]1CCCO1)C[C@@H]1CCCO1 ZINC000152293391 725989287 /nfs/dbraw/zinc/98/92/87/725989287.db2.gz CLKRDKCUQZIMGW-ROUUACIJSA-N 0 3 335.444 2.569 20 10 EFCDHN COCCN(CCN(C)C)C(=O)c1sccc1-n1c(C)ccc1C ZINC000729286438 726227121 /nfs/dbraw/zinc/22/71/21/726227121.db2.gz RJNVADUHJOKKLA-UHFFFAOYSA-N 0 3 349.500 2.806 20 10 EFCDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](N)Cc1ccccc1 ZINC000324222480 726306197 /nfs/dbraw/zinc/30/61/97/726306197.db2.gz WNGMSMNHVJKNMQ-IBGZPJMESA-N 0 3 325.456 2.671 20 10 EFCDHN COc1cccc([O-])c1C[NH2+]CCCN(C(=O)C1CCC1)C1CC1 ZINC000731360467 726846406 /nfs/dbraw/zinc/84/64/06/726846406.db2.gz GEMGHPGNOIOFSY-UHFFFAOYSA-N 0 3 332.444 2.672 20 10 EFCDHN O=C1OCCN1CCCN(Cc1ccco1)Cc1ccccc1O ZINC000731844881 726941400 /nfs/dbraw/zinc/94/14/00/726941400.db2.gz PSCWMDRWBJFYSP-UHFFFAOYSA-N 0 3 330.384 2.830 20 10 EFCDHN CCCCN(Cc1ccccc1O)C(=O)c1ccnn1CCN(C)C ZINC000908045369 727086211 /nfs/dbraw/zinc/08/62/11/727086211.db2.gz MNBVRZYKTCOYOU-UHFFFAOYSA-N 0 3 344.459 2.593 20 10 EFCDHN CCCCNC(=O)NC(=O)CN(Cc1ccc(N(C)C)cc1)C(C)C ZINC000917074846 727763641 /nfs/dbraw/zinc/76/36/41/727763641.db2.gz HXMFBLNJVCCQPI-UHFFFAOYSA-N 0 3 348.491 2.589 20 10 EFCDHN C[C@@H]1[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CCCN1CCCF ZINC000994497768 727772187 /nfs/dbraw/zinc/77/21/87/727772187.db2.gz RENZGSUYHWOCRB-IUODEOHRSA-N 0 3 349.410 2.791 20 10 EFCDHN COc1ccnc(N2CCN(Cc3cc(C)cc(C)c3O)CC2)c1 ZINC000164298156 727933329 /nfs/dbraw/zinc/93/33/29/727933329.db2.gz LOXASACUXOVZSU-UHFFFAOYSA-N 0 3 327.428 2.735 20 10 EFCDHN COC(=O)CCN(Cc1ccncc1)Cc1cc(C)cc(OC)c1O ZINC000164475603 727954675 /nfs/dbraw/zinc/95/46/75/727954675.db2.gz GPVJOLVFNJVIQQ-UHFFFAOYSA-N 0 3 344.411 2.670 20 10 EFCDHN C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)c2cccc(O)c2O)C1 ZINC000323808588 728039119 /nfs/dbraw/zinc/03/91/19/728039119.db2.gz NGDBNANQSKSGNZ-OAHLLOKOSA-N 0 3 340.423 2.692 20 10 EFCDHN COc1ccc(O)c([C@@H](C)NCC(=O)N2CCc3ccccc32)c1 ZINC000182314712 728077936 /nfs/dbraw/zinc/07/79/36/728077936.db2.gz GHFOVTWEDRNRIC-CYBMUJFWSA-N 0 3 326.396 2.641 20 10 EFCDHN COc1ccc(O)c([C@H](C)NCC(=O)N[C@H](C)c2cccs2)c1 ZINC000182443391 728162752 /nfs/dbraw/zinc/16/27/52/728162752.db2.gz MXNPHUFCPYXLHX-NWDGAFQWSA-N 0 3 334.441 2.990 20 10 EFCDHN COc1ccc(O)c([C@@H](C)NCc2cc(=O)n3cccc(C)c3n2)c1 ZINC000182468965 728179051 /nfs/dbraw/zinc/17/90/51/728179051.db2.gz RCDXSZPGBNZRPI-CYBMUJFWSA-N 0 3 339.395 2.568 20 10 EFCDHN CCN(Cc1ccccc1)c1ccc(CNCC(=O)N(C)C)cc1 ZINC000060844063 728435500 /nfs/dbraw/zinc/43/55/00/728435500.db2.gz IBCVEZNEOIBIHP-UHFFFAOYSA-N 0 3 325.456 2.891 20 10 EFCDHN C[C@H](C[NH2+]Cc1cccc(Br)c1[O-])CN1CCCC1 ZINC000060942135 728450983 /nfs/dbraw/zinc/45/09/83/728450983.db2.gz LGRSJAVYDGMCNV-GFCCVEGCSA-N 0 3 327.266 2.976 20 10 EFCDHN CCN(CC)CC(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 ZINC000061757605 728543039 /nfs/dbraw/zinc/54/30/39/728543039.db2.gz LYRNUKWNLDMKBE-IBGZPJMESA-N 0 3 347.503 2.602 20 10 EFCDHN Cc1cc(CN2CCN(CC(C)(C)O)CC2)c(O)c(C(C)(C)C)c1 ZINC000172910074 728609901 /nfs/dbraw/zinc/60/99/01/728609901.db2.gz OJKYNGHMAHLBSZ-UHFFFAOYSA-N 0 3 334.504 2.887 20 10 EFCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CCC[C@@](C)(CC)C1)cc2=O ZINC000173778863 728635306 /nfs/dbraw/zinc/63/53/06/728635306.db2.gz VTQFWBOIBZKONU-GOSISDBHSA-N 0 3 346.431 2.624 20 10 EFCDHN CCN1CCN(c2ccc(CN[C@@H](C)c3c[nH]nc3C)cc2F)CC1 ZINC000180498427 729751762 /nfs/dbraw/zinc/75/17/62/729751762.db2.gz LJYFSDUGYIZEHR-AWEZNQCLSA-N 0 3 345.466 2.850 20 10 EFCDHN COc1ccc(N2CCN(C(=O)[C@H](N)C3CCCCCC3)CC2)cc1 ZINC001579225073 1090551193 /nfs/dbraw/zinc/55/11/93/1090551193.db2.gz CWHKTBUSOSMLTN-LJQANCHMSA-N 0 3 345.487 2.642 20 10 EFCDHN CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590688169 1093549417 /nfs/dbraw/zinc/54/94/17/1093549417.db2.gz XCULRDPHZYNWCC-KBPBESRZSA-N 0 3 346.479 2.733 20 10 EFCDHN COc1ccc(O)c(C[N@H+](C)[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC001591618142 1093801399 /nfs/dbraw/zinc/80/13/99/1093801399.db2.gz FJUIVVFRJZCNSF-LBPRGKRZSA-N 0 3 339.399 2.774 20 10 EFCDHN COc1ccc(O)c(C[N@@H+](C)[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC001591618142 1093801402 /nfs/dbraw/zinc/80/14/02/1093801402.db2.gz FJUIVVFRJZCNSF-LBPRGKRZSA-N 0 3 339.399 2.774 20 10 EFCDHN O=C(c1cccc(O)c1[O-])N1C[C@@H]2CC[N@H+](C3CCCC3)CC[C@@H]2C1 ZINC001269608162 1098286201 /nfs/dbraw/zinc/28/62/01/1098286201.db2.gz XHSXREIUNHMJCQ-GASCZTMLSA-N 0 3 344.455 2.824 20 10 EFCDHN O=C(c1cccc(O)c1[O-])N1C[C@@H]2CC[N@@H+](C3CCCC3)CC[C@@H]2C1 ZINC001269608162 1098286203 /nfs/dbraw/zinc/28/62/03/1098286203.db2.gz XHSXREIUNHMJCQ-GASCZTMLSA-N 0 3 344.455 2.824 20 10 EFCDHN CC(C)(C)CCN1CCN(C(=O)NCCc2ccc(N)cc2)CC1 ZINC000841956520 1106042998 /nfs/dbraw/zinc/04/29/98/1106042998.db2.gz GLNZGLSTYMQFAT-UHFFFAOYSA-N 0 3 332.492 2.575 20 10 EFCDHN Cc1cc(C(=O)CON=C(N)C(C)C)c(C)n1-c1ccc(F)cn1 ZINC000842040310 1106247966 /nfs/dbraw/zinc/24/79/66/1106247966.db2.gz SQTYARMGDQOGJU-UHFFFAOYSA-N 0 3 332.379 2.965 20 10 EFCDHN CC(C)=CCN1CC[C@]2(CCCN2Cc2cc(O)ccc2O)C1=O ZINC001272387286 1108152833 /nfs/dbraw/zinc/15/28/33/1108152833.db2.gz VVVFZGZHVPUEDY-LJQANCHMSA-N 0 3 330.428 2.631 20 10 EFCDHN CC[C@H](C)N1C[C@]2(CC1=O)CCCCN2Cc1cc(O)ccc1O ZINC001272387315 1108152984 /nfs/dbraw/zinc/15/29/84/1108152984.db2.gz WNKPBBVJPGHUQQ-IFXJQAMLSA-N 0 3 332.444 2.853 20 10 EFCDHN Cc1nn(C)c(CNC[C@H](c2ccc(N(C)C)cc2)N(C)C)c1Cl ZINC000898448757 1108942878 /nfs/dbraw/zinc/94/28/78/1108942878.db2.gz WHCOJSKMDQKTIU-MRXNPFEDSA-N 0 3 349.910 2.840 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=O)N2C[C@@H]3CCCC[C@@H]32)N(C)C)cc1 ZINC000899097806 1109200408 /nfs/dbraw/zinc/20/04/08/1109200408.db2.gz HGGJGVSJZIOSAV-YTQUADARSA-N 0 3 344.503 2.939 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)N2CC[C@H](C3CC3)C2)N(C)C)cc1 ZINC000899101403 1109202147 /nfs/dbraw/zinc/20/21/47/1109202147.db2.gz HSYSGEBJMRJYKD-HKUYNNGSSA-N 0 3 344.503 2.797 20 10 EFCDHN CCN(C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)C1CCC1 ZINC000899103303 1109202708 /nfs/dbraw/zinc/20/27/08/1109202708.db2.gz YPXFACYYGRBCRW-GOSISDBHSA-N 0 3 332.492 2.939 20 10 EFCDHN C[C@@H]1C[C@@H](C)N(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC000899102765 1109203091 /nfs/dbraw/zinc/20/30/91/1109203091.db2.gz RMPKNBBORFVLPK-IIDMSEBBSA-N 0 3 332.492 2.795 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=O)N(C2CC2)C2CC2)N(C)C)cc1 ZINC000899098229 1109206897 /nfs/dbraw/zinc/20/68/97/1109206897.db2.gz MTSXZABMJFNPHN-GOSISDBHSA-N 0 3 330.476 2.692 20 10 EFCDHN CC[C@@H](C)N1C(=O)C[C@]2(CCC[N@H+](Cc3ccccc3[O-])C2)C1=O ZINC001272618628 1111753424 /nfs/dbraw/zinc/75/34/24/1111753424.db2.gz KTFGUXZCAROIEH-KUHUBIRLSA-N 0 3 330.428 2.532 20 10 EFCDHN CC[C@@H](C)N1C(=O)C[C@]2(CCC[N@@H+](Cc3ccccc3[O-])C2)C1=O ZINC001272618628 1111753429 /nfs/dbraw/zinc/75/34/29/1111753429.db2.gz KTFGUXZCAROIEH-KUHUBIRLSA-N 0 3 330.428 2.532 20 10 EFCDHN CCCCN1C(=O)C[C@]2(CCC[N@H+](Cc3ccccc3[O-])C2)C1=O ZINC001272618837 1111753664 /nfs/dbraw/zinc/75/36/64/1111753664.db2.gz PBXSVGWTJBDSAI-IBGZPJMESA-N 0 3 330.428 2.533 20 10 EFCDHN CCCCN1C(=O)C[C@]2(CCC[N@@H+](Cc3ccccc3[O-])C2)C1=O ZINC001272618837 1111753668 /nfs/dbraw/zinc/75/36/68/1111753668.db2.gz PBXSVGWTJBDSAI-IBGZPJMESA-N 0 3 330.428 2.533 20 10 EFCDHN CC(=O)[C@H](C)N1C[C@@]2(CC1=O)CCCCN2Cc1cc(C)ccc1O ZINC001272623196 1111760679 /nfs/dbraw/zinc/76/06/79/1111760679.db2.gz XPRCOJXJGLYXKH-YWZLYKJASA-N 0 3 344.455 2.635 20 10 EFCDHN CCCCN1CC[C@@]2(CC[N@H+](Cc3ccc(OC)cc3[O-])C2)C1=O ZINC001272625244 1111765658 /nfs/dbraw/zinc/76/56/58/1111765658.db2.gz JBZBHBCBNHEILJ-LJQANCHMSA-N 0 3 332.444 2.625 20 10 EFCDHN CCCCN1CC[C@@]2(CC[N@@H+](Cc3ccc(OC)cc3[O-])C2)C1=O ZINC001272625244 1111765664 /nfs/dbraw/zinc/76/56/64/1111765664.db2.gz JBZBHBCBNHEILJ-LJQANCHMSA-N 0 3 332.444 2.625 20 10 EFCDHN CC[C@H](C)NC(=O)[C@H]1CC12CC[NH+](Cc1ccc(OC)cc1[O-])CC2 ZINC001272625609 1111766011 /nfs/dbraw/zinc/76/60/11/1111766011.db2.gz MWCFSEWULKGQBD-WMLDXEAASA-N 0 3 346.471 2.918 20 10 EFCDHN CC[C@@H](C)N1CC[C@]2(CCC[N@@H+]2Cc2ccc(OC)cc2[O-])C1=O ZINC001272625880 1111767202 /nfs/dbraw/zinc/76/72/02/1111767202.db2.gz PLZWIMCGDPPCMY-AUUYWEPGSA-N 0 3 332.444 2.766 20 10 EFCDHN CC[C@@H](C)N1CC[C@]2(CCC[N@H+]2Cc2ccc(OC)cc2[O-])C1=O ZINC001272625880 1111767207 /nfs/dbraw/zinc/76/72/07/1111767207.db2.gz PLZWIMCGDPPCMY-AUUYWEPGSA-N 0 3 332.444 2.766 20 10 EFCDHN CC[C@@H](C)N1CC[C@]2(CCCN2Cc2ccc(OC)cc2O)C1=O ZINC001272625880 1111767210 /nfs/dbraw/zinc/76/72/10/1111767210.db2.gz PLZWIMCGDPPCMY-AUUYWEPGSA-N 0 3 332.444 2.766 20 10 EFCDHN COc1ccc(O)c([C@@H](C)NCC(=O)NCc2ccc(F)cc2)c1 ZINC000182451433 1118608889 /nfs/dbraw/zinc/60/88/89/1118608889.db2.gz DMCNSKRWKCESOY-GFCCVEGCSA-N 0 3 332.375 2.507 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)Cc2cccs2)N(C)C)cc1 ZINC000038635165 1120560329 /nfs/dbraw/zinc/56/03/29/1120560329.db2.gz OEKCVIPUKWXFLV-KRWDZBQOSA-N 0 3 331.485 2.776 20 10 EFCDHN C[C@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000273606689 299283946 /nfs/dbraw/zinc/28/39/46/299283946.db2.gz UHSUQTXRLXXEAF-JTQLQIEISA-N 0 3 333.259 2.806 20 10 EFCDHN CN(C)[C@H]1CCCN(C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000171632873 239153304 /nfs/dbraw/zinc/15/33/04/239153304.db2.gz JAACZHWFJXEURB-SFHVURJKSA-N 0 3 330.476 2.522 20 10 EFCDHN Cc1cccc(C[NH2+]CCCN2C(=O)COc3ccccc32)c1[O-] ZINC000182493414 239538531 /nfs/dbraw/zinc/53/85/31/239538531.db2.gz ROYHBVHDNSKGBX-UHFFFAOYSA-N 0 3 326.396 2.606 20 10 EFCDHN COc1ccc(O)c(CN[C@H]2CCN(Cc3ccc(C)cc3)C2=O)c1 ZINC000191809295 240007878 /nfs/dbraw/zinc/00/78/78/240007878.db2.gz QXQBJRQXSWWCQX-SFHVURJKSA-N 0 3 340.423 2.600 20 10 EFCDHN COc1cccc(CN[C@H]2CCN(Cc3ccc(C)cc3)C2=O)c1O ZINC000191801401 240008287 /nfs/dbraw/zinc/00/82/87/240008287.db2.gz PRDUASDQVVZGJR-KRWDZBQOSA-N 0 3 340.423 2.600 20 10 EFCDHN Cc1ccc([C@@H](C[NH2+]Cc2cc3c(cc2[O-])OCO3)N2CCCC2)o1 ZINC000237973654 240248834 /nfs/dbraw/zinc/24/88/34/240248834.db2.gz CPOLQSLMUIUDNG-OAHLLOKOSA-N 0 3 344.411 2.949 20 10 EFCDHN CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000236919278 240236207 /nfs/dbraw/zinc/23/62/07/240236207.db2.gz AJBHXFDOJVJBGK-GXFFZTMASA-N 0 3 341.249 2.631 20 10 EFCDHN CCC[C@@H](N)C(=O)N(CC)Cc1cc(Br)ccc1O ZINC000236898440 240236709 /nfs/dbraw/zinc/23/67/09/240236709.db2.gz CSVGUGVBDIMPNR-GFCCVEGCSA-N 0 3 329.238 2.631 20 10 EFCDHN [O-]c1c(Cl)cc(Cl)cc1CNC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252666759 240308751 /nfs/dbraw/zinc/30/87/51/240308751.db2.gz BTSQCNXGPWCNHY-QWHCGFSZSA-N 0 3 331.243 2.652 20 10 EFCDHN [O-]c1c(Cl)cc(Cl)cc1CNC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252666759 240308760 /nfs/dbraw/zinc/30/87/60/240308760.db2.gz BTSQCNXGPWCNHY-QWHCGFSZSA-N 0 3 331.243 2.652 20 10 EFCDHN CCOc1cccc(C[N@@H+]2CCC[C@@H]2CN2C[C@H](C)O[C@@H](C)C2)c1[O-] ZINC000245551436 240258471 /nfs/dbraw/zinc/25/84/71/240258471.db2.gz BHISQYYMSXKRPW-XYJFISCASA-N 0 3 348.487 2.865 20 10 EFCDHN CCOc1cccc(C[N@H+]2CCC[C@@H]2CN2C[C@H](C)O[C@@H](C)C2)c1[O-] ZINC000245551436 240258473 /nfs/dbraw/zinc/25/84/73/240258473.db2.gz BHISQYYMSXKRPW-XYJFISCASA-N 0 3 348.487 2.865 20 10 EFCDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000246427872 240268070 /nfs/dbraw/zinc/26/80/70/240268070.db2.gz WESNORQJALDELC-MAUKXSAKSA-N 0 3 344.503 2.551 20 10 EFCDHN CCCNC(=O)CN1CCC([NH2+][C@@H](CC)c2ccc(C)cc2[O-])CC1 ZINC000280298051 240864301 /nfs/dbraw/zinc/86/43/01/240864301.db2.gz ZSKXHMOWKZOZRW-SFHVURJKSA-N 0 3 347.503 2.732 20 10 EFCDHN OCC[C@@H](NCc1cc2c(cc1O)OCO2)c1ccc(Cl)cc1 ZINC000288501258 241013163 /nfs/dbraw/zinc/01/31/63/241013163.db2.gz RYPGKKKZUITJPI-CQSZACIVSA-N 0 3 335.787 2.988 20 10 EFCDHN Cc1ccc(C(=O)NCC[NH2+][C@@H]2CCc3cccc([O-])c32)cc1F ZINC000296057587 241074835 /nfs/dbraw/zinc/07/48/35/241074835.db2.gz RNQYABVKCYYVPC-MRXNPFEDSA-N 0 3 328.387 2.847 20 10 EFCDHN O=C1C[C@H]([NH2+][C@@H]2CCc3cccc([O-])c32)CN1c1ccccc1F ZINC000296636118 241093208 /nfs/dbraw/zinc/09/32/08/241093208.db2.gz BRCZMSYEGRUILJ-DZGCQCFKSA-N 0 3 326.371 2.914 20 10 EFCDHN O=C1[C@H]([NH2+][C@H]2CCc3cccc([O-])c32)CCN1c1ccccc1F ZINC000297082987 241110262 /nfs/dbraw/zinc/11/02/62/241110262.db2.gz WWBVPYGQISRGOT-LSDHHAIUSA-N 0 3 326.371 2.914 20 10 EFCDHN CC(C)(C)OC(=O)N1CCO[C@@H](C[NH2+][C@H]2CCc3cccc([O-])c32)C1 ZINC000295874247 241064862 /nfs/dbraw/zinc/06/48/62/241064862.db2.gz GMUYNKMOGPIAHV-GJZGRUSLSA-N 0 3 348.443 2.605 20 10 EFCDHN CCN(CC(=O)NCc1ccc(N(C)C)cc1)[C@H]1CCOC(C)(C)C1 ZINC000298692777 241155594 /nfs/dbraw/zinc/15/55/94/241155594.db2.gz ZOARWDZQIQIWLR-SFHVURJKSA-N 0 3 347.503 2.648 20 10 EFCDHN Cc1cc(Br)cc(CN(C)[C@H]2CCCCNC2=O)c1O ZINC000367728225 242390301 /nfs/dbraw/zinc/39/03/01/242390301.db2.gz UYOLFOBNGLLYGS-ZDUSSCGKSA-N 0 3 341.249 2.564 20 10 EFCDHN COCCOC1(C[NH2+][C@@H](C)c2c(C)cc(C)cc2[O-])CCOCC1 ZINC000296567075 285083373 /nfs/dbraw/zinc/08/33/73/285083373.db2.gz SPOVUAQHNOAMAU-INIZCTEOSA-N 0 3 337.460 2.872 20 10 EFCDHN Cc1ccc(S(=O)(=O)C[C@H](C)NCc2cccc(C)c2O)cc1 ZINC000154874490 224319536 /nfs/dbraw/zinc/31/95/36/224319536.db2.gz NIKGMHOFVCKZQL-HNNXBMFYSA-N 0 3 333.453 2.961 20 10 EFCDHN C[C@@H](NCCNC(=O)OC(C)(C)C)c1ccc(N2CCOCC2)cc1 ZINC000171130748 533396991 /nfs/dbraw/zinc/39/69/91/533396991.db2.gz PCLPTEOIFWQFIU-OAHLLOKOSA-N 0 3 349.475 2.699 20 10 EFCDHN COc1cc([N+](=O)[O-])c(N2CCC[C@H](N3CCCC3)C2)cc1OC ZINC000301937893 286248515 /nfs/dbraw/zinc/24/85/15/286248515.db2.gz SFPIYUJTKJGJFD-ZDUSSCGKSA-N 0 3 335.404 2.677 20 10 EFCDHN CC[C@@H]([NH2+]C[C@@H](N1CCOCC1)C(F)(F)F)c1ccccc1[O-] ZINC000285859342 286909672 /nfs/dbraw/zinc/90/96/72/286909672.db2.gz ZOHXNJFZAHBLNR-UKRRQHHQSA-N 0 3 332.366 2.696 20 10 EFCDHN CN(C)c1ccc2c(c1)OCCN2C(=O)C[C@H](N)c1ccccc1 ZINC000237150982 273821719 /nfs/dbraw/zinc/82/17/19/273821719.db2.gz LBHHWDOWSIVCFZ-INIZCTEOSA-N 0 3 325.412 2.568 20 10 EFCDHN Cc1ncc(/C=C/C(=O)N2C[C@@H](CN(C)C)Oc3ccccc32)s1 ZINC000370504292 274855812 /nfs/dbraw/zinc/85/58/12/274855812.db2.gz GGADYRZOQLDDKZ-MYSGNRETSA-N 0 3 343.452 2.821 20 10 EFCDHN COc1cccc(C[N@@H+]2CC[C@@H](C(=O)N(C)c3ccccc3)C2)c1[O-] ZINC000281266889 278010951 /nfs/dbraw/zinc/01/09/51/278010951.db2.gz YHQNVBZMXRTMNS-MRXNPFEDSA-N 0 3 340.423 2.886 20 10 EFCDHN COc1cccc(C[N@H+]2CC[C@@H](C(=O)N(C)c3ccccc3)C2)c1[O-] ZINC000281266889 278010953 /nfs/dbraw/zinc/01/09/53/278010953.db2.gz YHQNVBZMXRTMNS-MRXNPFEDSA-N 0 3 340.423 2.886 20 10 EFCDHN C[C@@H](NC[C@@H]1CN(C)CCN1C)c1ccc(N2CCCCCC2)cc1 ZINC000268908165 278352123 /nfs/dbraw/zinc/35/21/23/278352123.db2.gz MGMUQTUYROGGTM-WIYYLYMNSA-N 0 3 344.547 2.963 20 10 EFCDHN COc1cc([N+](=O)[O-])c(N2CCN(C3CCC3)C[C@H](C)C2)cc1OC ZINC000292288026 295027169 /nfs/dbraw/zinc/02/71/69/295027169.db2.gz MVBBLGAGDYRYCR-ZDUSSCGKSA-N 0 3 349.431 2.923 20 10 EFCDHN Cc1ncc(/C=C/C(=O)N2C[C@@H](N(C)C)Cc3ccccc32)s1 ZINC000112246861 473249957 /nfs/dbraw/zinc/24/99/57/473249957.db2.gz XKRYOHXVZMPILO-HVHJFMEUSA-N 0 3 327.453 2.984 20 10 EFCDHN C[C@H]([NH2+]CCCN1CCN(C)CC1)c1cc2c(cc1[O-])CCCC2 ZINC000184900154 473267525 /nfs/dbraw/zinc/26/75/25/473267525.db2.gz NJLNFCYENXHFAP-INIZCTEOSA-N 0 3 331.504 2.559 20 10 EFCDHN C[C@@H]([NH2+]CCCN1CCN(C)CC1)c1cc2c(cc1[O-])CCCC2 ZINC000184900173 473267560 /nfs/dbraw/zinc/26/75/60/473267560.db2.gz NJLNFCYENXHFAP-MRXNPFEDSA-N 0 3 331.504 2.559 20 10 EFCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCc2nnc3n2CCCCC3)c1 ZINC000184955633 473282279 /nfs/dbraw/zinc/28/22/79/473282279.db2.gz GPFFWCTYQCBAST-CYBMUJFWSA-N 0 3 330.432 2.612 20 10 EFCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C2CCN(C(=O)c3ccco3)CC2)c1 ZINC000184966950 473285145 /nfs/dbraw/zinc/28/51/45/473285145.db2.gz SNLLSWWYFBIFCR-CYBMUJFWSA-N 0 3 344.411 2.949 20 10 EFCDHN Cc1ccc([C@H](C)[NH2+]Cc2ccc(N3CCN(C)CC3)nc2)c([O-])c1 ZINC000184968965 473286826 /nfs/dbraw/zinc/28/68/26/473286826.db2.gz TVGCQVQDDLDFDT-INIZCTEOSA-N 0 3 340.471 2.698 20 10 EFCDHN C[C@@H]([NH2+]C[C@@H](O)CN1CCc2ccccc2C1)c1cc(F)ccc1[O-] ZINC000184992464 473295470 /nfs/dbraw/zinc/29/54/70/473295470.db2.gz HBVGQGUEKZVTIW-RDTXWAMCSA-N 0 3 344.430 2.601 20 10 EFCDHN C[C@H](NCC(=O)NCC(F)(F)F)c1cc2c(cc1O)CCCC2 ZINC000185179494 473352919 /nfs/dbraw/zinc/35/29/19/473352919.db2.gz GCXRIZHGJHNDSY-JTQLQIEISA-N 0 3 330.350 2.600 20 10 EFCDHN Cc1ccc(S(=O)(=O)NCC[NH2+][C@H](C)c2ccc(C)cc2[O-])cc1 ZINC000185195321 473357578 /nfs/dbraw/zinc/35/75/78/473357578.db2.gz RLIOJHYMZMRGBV-OAHLLOKOSA-N 0 3 348.468 2.638 20 10 EFCDHN COc1cccc(C(=O)NCC[NH2+][C@H](C)c2cc(F)ccc2[O-])c1 ZINC000185201768 473361570 /nfs/dbraw/zinc/36/15/70/473361570.db2.gz JPWBABAHNQHMHJ-GFCCVEGCSA-N 0 3 332.375 2.621 20 10 EFCDHN CC[C@@H]([NH2+]C[C@@]1(N2CCOCC2)CCSC1)c1ccccc1[O-] ZINC000185209729 473363208 /nfs/dbraw/zinc/36/32/08/473363208.db2.gz LRRAEXLTJGZUST-AEFFLSMTSA-N 0 3 336.501 2.641 20 10 EFCDHN Cn1cc(C[NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)cn1 ZINC000113359173 473387221 /nfs/dbraw/zinc/38/72/21/473387221.db2.gz GTSUIPCKRGIVNG-MRXNPFEDSA-N 0 3 334.851 2.533 20 10 EFCDHN C[C@H]([NH2+]CCCNC(=O)c1cccc(O)c1)c1cc(F)ccc1[O-] ZINC000185304009 473390367 /nfs/dbraw/zinc/39/03/67/473390367.db2.gz MOKBNUMAHNJDBI-LBPRGKRZSA-N 0 3 332.375 2.708 20 10 EFCDHN CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000068964566 472272727 /nfs/dbraw/zinc/27/27/27/472272727.db2.gz LOWNBKCKAUPAMK-UONOGXRCSA-N 0 3 348.443 2.638 20 10 EFCDHN CCCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000068964566 472272734 /nfs/dbraw/zinc/27/27/34/472272734.db2.gz LOWNBKCKAUPAMK-UONOGXRCSA-N 0 3 348.443 2.638 20 10 EFCDHN CCCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000068964570 472273166 /nfs/dbraw/zinc/27/31/66/472273166.db2.gz LOWNBKCKAUPAMK-KBPBESRZSA-N 0 3 348.443 2.638 20 10 EFCDHN CCCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000068964570 472273168 /nfs/dbraw/zinc/27/31/68/472273168.db2.gz LOWNBKCKAUPAMK-KBPBESRZSA-N 0 3 348.443 2.638 20 10 EFCDHN CC(C)N1CCCN(C(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000069773245 472425439 /nfs/dbraw/zinc/42/54/39/472425439.db2.gz XHBUBNSOEMUPGO-UHFFFAOYSA-N 0 3 344.503 2.913 20 10 EFCDHN CCCOc1ccc(C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)c([O-])c1 ZINC000128532261 472466125 /nfs/dbraw/zinc/46/61/25/472466125.db2.gz KEGBZRKCBKPUBU-OAHLLOKOSA-N 0 3 330.432 2.685 20 10 EFCDHN CCCOc1ccc(C[N@H+]2CCC[C@@H](Cn3cncn3)C2)c([O-])c1 ZINC000128532261 472466131 /nfs/dbraw/zinc/46/61/31/472466131.db2.gz KEGBZRKCBKPUBU-OAHLLOKOSA-N 0 3 330.432 2.685 20 10 EFCDHN CCCOc1ccc(C[N@@H+]2CCC[C@H](Cn3cncn3)C2)c([O-])c1 ZINC000128532042 472466248 /nfs/dbraw/zinc/46/62/48/472466248.db2.gz KEGBZRKCBKPUBU-HNNXBMFYSA-N 0 3 330.432 2.685 20 10 EFCDHN CCCOc1ccc(C[N@H+]2CCC[C@H](Cn3cncn3)C2)c([O-])c1 ZINC000128532042 472466256 /nfs/dbraw/zinc/46/62/56/472466256.db2.gz KEGBZRKCBKPUBU-HNNXBMFYSA-N 0 3 330.432 2.685 20 10 EFCDHN CC[C@H](N[C@@H]1CCN(CC(F)(F)F)C1=O)c1ccc(N(C)C)cc1 ZINC000089619061 472470731 /nfs/dbraw/zinc/47/07/31/472470731.db2.gz CAEADYMUJYJSGV-LSDHHAIUSA-N 0 3 343.393 2.957 20 10 EFCDHN CCCN(CC(=O)NC(=O)NC1CCCCC1)Cc1ccccc1O ZINC000058218326 472521654 /nfs/dbraw/zinc/52/16/54/472521654.db2.gz KMXOEFNOGNCWNU-UHFFFAOYSA-N 0 3 347.459 2.763 20 10 EFCDHN C[C@@H]1CCCN(CCNC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000046392388 472554044 /nfs/dbraw/zinc/55/40/44/472554044.db2.gz HZUPCJYGOKMQKV-MRXNPFEDSA-N 0 3 332.492 2.626 20 10 EFCDHN CC[C@@H](C)NC(=O)[C@@H](C)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000102416416 472577193 /nfs/dbraw/zinc/57/71/93/472577193.db2.gz QZDNGICMRJPJIX-HUUCEWRRSA-N 0 3 333.476 2.557 20 10 EFCDHN C[N@@H+]1CCCC[C@H]1CN1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000120052796 472622413 /nfs/dbraw/zinc/62/24/13/472622413.db2.gz MABZQGGHFOZMLO-HNNXBMFYSA-N 0 3 337.895 2.648 20 10 EFCDHN C[N@H+]1CCCC[C@H]1CN1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000120052796 472622416 /nfs/dbraw/zinc/62/24/16/472622416.db2.gz MABZQGGHFOZMLO-HNNXBMFYSA-N 0 3 337.895 2.648 20 10 EFCDHN C[C@H]1OCC[C@@H]1NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000120285095 472663103 /nfs/dbraw/zinc/66/31/03/472663103.db2.gz OOFMILCUIAWKIZ-WBMJQRKESA-N 0 3 344.377 2.809 20 10 EFCDHN CN(CCC[NH2+]Cc1cc2c(cc1[O-])OCO2)Cc1ccccc1 ZINC000063255901 472762100 /nfs/dbraw/zinc/76/21/00/472762100.db2.gz ZOUQIWXQYAKCCY-UHFFFAOYSA-N 0 3 328.412 2.733 20 10 EFCDHN Cc1ccc([C@H](CNCc2ccc(N(C)C)cc2)N2CCOCC2)o1 ZINC000073052064 472765404 /nfs/dbraw/zinc/76/54/04/472765404.db2.gz NOBDGTLKHACGRB-IBGZPJMESA-N 0 3 343.471 2.817 20 10 EFCDHN COc1ccc(CN(C)Cc2ccc(N3CCOCC3)cc2)cc1O ZINC000121305106 472832412 /nfs/dbraw/zinc/83/24/12/472832412.db2.gz QFKCJHIJNOICRH-UHFFFAOYSA-N 0 3 342.439 2.869 20 10 EFCDHN CCN1CCC[C@H]1CNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000073721966 472861760 /nfs/dbraw/zinc/86/17/60/472861760.db2.gz AXLWWYCQLYJMMO-SFHVURJKSA-N 0 3 330.476 2.570 20 10 EFCDHN CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2cccc(OC)c2[O-])C1 ZINC000092400781 472907199 /nfs/dbraw/zinc/90/71/99/472907199.db2.gz RMVAFHXOBBDKLP-GDBMZVCRSA-N 0 3 334.460 2.918 20 10 EFCDHN CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2cccc(OC)c2[O-])C1 ZINC000092400781 472907205 /nfs/dbraw/zinc/90/72/05/472907205.db2.gz RMVAFHXOBBDKLP-GDBMZVCRSA-N 0 3 334.460 2.918 20 10 EFCDHN Cc1ccc(O)c(CN(C)[C@H](C)c2cccc(S(N)(=O)=O)c2)c1 ZINC000092585739 472940138 /nfs/dbraw/zinc/94/01/38/472940138.db2.gz VCQASROAIDEVGO-CYBMUJFWSA-N 0 3 334.441 2.541 20 10 EFCDHN COc1ccc(N2CCN(C[C@@H](O)Cc3ccccc3)CC2)cc1F ZINC000122077052 472972836 /nfs/dbraw/zinc/97/28/36/472972836.db2.gz FVULYEDOWRFHNE-SFHVURJKSA-N 0 3 344.430 2.560 20 10 EFCDHN CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(OC)c2[O-])C1 ZINC000092731233 472973192 /nfs/dbraw/zinc/97/31/92/472973192.db2.gz HPMPKMFPJGXRAQ-GDBMZVCRSA-N 0 3 334.460 2.918 20 10 EFCDHN CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(OC)c2[O-])C1 ZINC000092731233 472973199 /nfs/dbraw/zinc/97/31/99/472973199.db2.gz HPMPKMFPJGXRAQ-GDBMZVCRSA-N 0 3 334.460 2.918 20 10 EFCDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)cc1C ZINC000093134062 473048737 /nfs/dbraw/zinc/04/87/37/473048737.db2.gz KYSCTSNEJWBBHF-OAHLLOKOSA-N 0 3 326.444 2.926 20 10 EFCDHN Cc1cc([O-])c(C[N@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)cc1C ZINC000093134062 473048744 /nfs/dbraw/zinc/04/87/44/473048744.db2.gz KYSCTSNEJWBBHF-OAHLLOKOSA-N 0 3 326.444 2.926 20 10 EFCDHN CCOc1cccc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)c1[O-] ZINC000093134098 473048941 /nfs/dbraw/zinc/04/89/41/473048941.db2.gz YUEPXJWANBHVIU-OAHLLOKOSA-N 0 3 342.443 2.708 20 10 EFCDHN CCOc1cccc(C[N@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)c1[O-] ZINC000093134098 473048942 /nfs/dbraw/zinc/04/89/42/473048942.db2.gz YUEPXJWANBHVIU-OAHLLOKOSA-N 0 3 342.443 2.708 20 10 EFCDHN CCOc1ccc([O-])c(C[NH+]2CCC3(CC2)[C@H](OCC)C[C@@H]3O)c1 ZINC000093614228 473126251 /nfs/dbraw/zinc/12/62/51/473126251.db2.gz YQQPMBRZKFPDRA-ZWKOTPCHSA-N 0 3 335.444 2.543 20 10 EFCDHN CCC[N@H+](Cc1ccccc1[O-])[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000109836011 473128779 /nfs/dbraw/zinc/12/87/79/473128779.db2.gz HOIYQEGHYMLMGF-CYBMUJFWSA-N 0 3 330.350 2.767 20 10 EFCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000109836011 473128787 /nfs/dbraw/zinc/12/87/87/473128787.db2.gz HOIYQEGHYMLMGF-CYBMUJFWSA-N 0 3 330.350 2.767 20 10 EFCDHN CC[C@@H](O)C[N@H+](Cc1ccccc1)Cc1cc2c(cc1[O-])OCO2 ZINC000093688167 473135454 /nfs/dbraw/zinc/13/54/54/473135454.db2.gz HZPIHUCFHOANQD-MRXNPFEDSA-N 0 3 329.396 2.894 20 10 EFCDHN CC[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1cc2c(cc1[O-])OCO2 ZINC000093688167 473135457 /nfs/dbraw/zinc/13/54/57/473135457.db2.gz HZPIHUCFHOANQD-MRXNPFEDSA-N 0 3 329.396 2.894 20 10 EFCDHN CC[C@@H](O)CN(Cc1ccccc1)Cc1cc2c(cc1O)OCO2 ZINC000093688167 473135464 /nfs/dbraw/zinc/13/54/64/473135464.db2.gz HZPIHUCFHOANQD-MRXNPFEDSA-N 0 3 329.396 2.894 20 10 EFCDHN [O-]c1ccccc1C[N@H+](C[C@H](O)Cc1ccccc1)C[C@@H]1CCCO1 ZINC000111232938 473198192 /nfs/dbraw/zinc/19/81/92/473198192.db2.gz NIHWEDKGRSLJJJ-UXHICEINSA-N 0 3 341.451 2.977 20 10 EFCDHN [O-]c1ccccc1C[N@@H+](C[C@H](O)Cc1ccccc1)C[C@@H]1CCCO1 ZINC000111232938 473198196 /nfs/dbraw/zinc/19/81/96/473198196.db2.gz NIHWEDKGRSLJJJ-UXHICEINSA-N 0 3 341.451 2.977 20 10 EFCDHN C[C@H](C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-])CN1CCN(C)CC1 ZINC000185343671 473399757 /nfs/dbraw/zinc/39/97/57/473399757.db2.gz MBZPCXTXBGMPQL-KGLIPLIRSA-N 0 3 325.884 2.580 20 10 EFCDHN CCN1CCN(C[C@H](C)C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])CC1 ZINC000185344939 473401237 /nfs/dbraw/zinc/40/12/37/473401237.db2.gz CZLMUFGOVUOHET-CABCVRRESA-N 0 3 339.911 2.970 20 10 EFCDHN C[C@H]([NH2+]C[C@H](O)COc1ccc(F)c(F)c1)c1cc(F)ccc1[O-] ZINC000185375356 473409789 /nfs/dbraw/zinc/40/97/89/473409789.db2.gz QHWZONQKUBQFLZ-JQWIXIFHSA-N 0 3 341.329 2.900 20 10 EFCDHN C[C@H](CN1CCN(C)CC1)[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000185392448 473414890 /nfs/dbraw/zinc/41/48/90/473414890.db2.gz MXVLQJVZBSXBOG-CVEARBPZSA-N 0 3 327.472 2.832 20 10 EFCDHN [O-]c1ccc(Cl)c(F)c1CNC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000191123737 473484589 /nfs/dbraw/zinc/48/45/89/473484589.db2.gz OPUWKBDNTLTASI-GFCCVEGCSA-N 0 3 342.842 2.775 20 10 EFCDHN [O-]c1ccc(Cl)c(F)c1C[NH2+]C1CCN(C[C@H]2CCOC2)CC1 ZINC000191123737 473484594 /nfs/dbraw/zinc/48/45/94/473484594.db2.gz OPUWKBDNTLTASI-GFCCVEGCSA-N 0 3 342.842 2.775 20 10 EFCDHN CC(C)N(CCN(C)C)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000178724169 473548210 /nfs/dbraw/zinc/54/82/10/473548210.db2.gz JNXPOCFCAAZKID-UHFFFAOYSA-N 0 3 332.492 2.768 20 10 EFCDHN Cc1cc(C(=O)N(C)C[C@H]2CCCN(C)C2)c(C)n1-c1ccccn1 ZINC000115441734 473570908 /nfs/dbraw/zinc/57/09/08/473570908.db2.gz UKOTUADLNUGFPB-KRWDZBQOSA-N 0 3 340.471 2.903 20 10 EFCDHN C[C@@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1)c1ccccc1[O-] ZINC000186042174 473577548 /nfs/dbraw/zinc/57/75/48/473577548.db2.gz XVWRRZJNJYXVHH-CQSZACIVSA-N 0 3 346.452 2.783 20 10 EFCDHN CSCC[C@H](C)N(C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000178894525 473585721 /nfs/dbraw/zinc/58/57/21/473585721.db2.gz ABXIFNICNKGCBO-HNNXBMFYSA-N 0 3 337.533 2.784 20 10 EFCDHN COc1cccc(CN[C@@H](C)CS(=O)(=O)c2ccc(C)cc2)c1O ZINC000152734165 473592046 /nfs/dbraw/zinc/59/20/46/473592046.db2.gz HPIBCWCYBCOKRN-AWEZNQCLSA-N 0 3 349.452 2.661 20 10 EFCDHN CN(C)CCN(Cc1ccco1)C(=O)NCc1ccc(N(C)C)cc1 ZINC000153795580 473642812 /nfs/dbraw/zinc/64/28/12/473642812.db2.gz GPPCBSBWNSMCKB-UHFFFAOYSA-N 0 3 344.459 2.619 20 10 EFCDHN C[C@@H]([NH2+]C[C@H]1COC2(CCOCC2)O1)c1cc2c(cc1[O-])CCCC2 ZINC000186375576 473663803 /nfs/dbraw/zinc/66/38/03/473663803.db2.gz UBZZCGYUKZJZNG-PBHICJAKSA-N 0 3 347.455 2.844 20 10 EFCDHN Cc1ccc(C(=O)Nc2ccc(OCC[NH+](C)C)cc2)c([O-])c1O ZINC000179437959 473687504 /nfs/dbraw/zinc/68/75/04/473687504.db2.gz RPIIQFZCFORRTQ-UHFFFAOYSA-N 0 3 330.384 2.599 20 10 EFCDHN C[C@H](c1ccccc1)[N@H+](CCCS(N)(=O)=O)Cc1ccccc1[O-] ZINC000179648940 473704241 /nfs/dbraw/zinc/70/42/41/473704241.db2.gz HAUMPCBBSSTIPL-OAHLLOKOSA-N 0 3 348.468 2.634 20 10 EFCDHN C[C@H](c1ccccc1)[N@@H+](CCCS(N)(=O)=O)Cc1ccccc1[O-] ZINC000179648940 473704246 /nfs/dbraw/zinc/70/42/46/473704246.db2.gz HAUMPCBBSSTIPL-OAHLLOKOSA-N 0 3 348.468 2.634 20 10 EFCDHN CCCCN(C)C(=O)C1CC[NH+](Cc2cc(OC)ccc2[O-])CC1 ZINC000179794514 473727959 /nfs/dbraw/zinc/72/79/59/473727959.db2.gz RVSNGPPDAWTGHD-UHFFFAOYSA-N 0 3 334.460 2.871 20 10 EFCDHN CCCCN(C)C(=O)C1CCN(Cc2cc(OC)ccc2O)CC1 ZINC000179794514 473727964 /nfs/dbraw/zinc/72/79/64/473727964.db2.gz RVSNGPPDAWTGHD-UHFFFAOYSA-N 0 3 334.460 2.871 20 10 EFCDHN C[C@@H](NC(=O)NCc1ccccc1O)[C@@H](c1ccccc1)N(C)C ZINC000287695004 473736308 /nfs/dbraw/zinc/73/63/08/473736308.db2.gz XHKBKRCUMZUBFH-KDOFPFPSSA-N 0 3 327.428 2.883 20 10 EFCDHN C[C@@H](CN1CCN(C)CC1)[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000192842720 473736361 /nfs/dbraw/zinc/73/63/61/473736361.db2.gz NMTLXAGDTDNWKK-RYUDHWBXSA-N 0 3 346.302 2.986 20 10 EFCDHN C[C@H]([NH2+]CCCN1C(=O)c2ccccc2C1=O)c1cc(F)ccc1[O-] ZINC000287743743 473749137 /nfs/dbraw/zinc/74/91/37/473749137.db2.gz YXAJHKVGIGKIGU-LBPRGKRZSA-N 0 3 342.370 2.868 20 10 EFCDHN CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2cc(OC)ccc2[O-])C1 ZINC000179938396 473758828 /nfs/dbraw/zinc/75/88/28/473758828.db2.gz VZXZEBNGMYUZLW-HUUCEWRRSA-N 0 3 334.460 2.918 20 10 EFCDHN CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2cc(OC)ccc2[O-])C1 ZINC000179938396 473758833 /nfs/dbraw/zinc/75/88/33/473758833.db2.gz VZXZEBNGMYUZLW-HUUCEWRRSA-N 0 3 334.460 2.918 20 10 EFCDHN CCCOc1ccc(C[NH2+]CCc2cn3c(n2)SCC3)c([O-])c1 ZINC000274229499 473768435 /nfs/dbraw/zinc/76/84/35/473768435.db2.gz DSMYCYPJVBKKFT-UHFFFAOYSA-N 0 3 333.457 2.816 20 10 EFCDHN CC(C)OC(=O)C[C@H]1CCCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000274232932 473768622 /nfs/dbraw/zinc/76/86/22/473768622.db2.gz UPPGAWFSGCITPL-CYBMUJFWSA-N 0 3 335.400 2.675 20 10 EFCDHN CCCNC(=O)C[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-] ZINC000186934777 473784704 /nfs/dbraw/zinc/78/47/04/473784704.db2.gz MBCSWSWKVOJMEU-JTQLQIEISA-N 0 3 329.238 2.640 20 10 EFCDHN COCC[C@H](CO)[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-] ZINC000281623365 473785865 /nfs/dbraw/zinc/78/58/65/473785865.db2.gz NVXSWXLOZRIXJB-ZYHUDNBSSA-N 0 3 332.238 2.511 20 10 EFCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CCCCNC2=O)c1[O-] ZINC000186985230 473796020 /nfs/dbraw/zinc/79/60/20/473796020.db2.gz MCHSXIDGXHTMMV-ZWNOBZJWSA-N 0 3 341.249 2.782 20 10 EFCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CCC(=O)N(C)C)c1[O-] ZINC000187125706 473822001 /nfs/dbraw/zinc/82/20/01/473822001.db2.gz RQMHVIJTFXOTCJ-SNVBAGLBSA-N 0 3 329.238 2.592 20 10 EFCDHN COc1cccc(CN[C@H]2CC(=O)N(c3c(F)cccc3F)C2)c1O ZINC000180215530 473830891 /nfs/dbraw/zinc/83/08/91/473830891.db2.gz ZSSIGXAKYDGXMI-LBPRGKRZSA-N 0 3 348.349 2.574 20 10 EFCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CC2(C)OCCO2)c1[O-] ZINC000187415743 473869400 /nfs/dbraw/zinc/86/94/00/473869400.db2.gz PXYDOQPVFZIQIY-SNVBAGLBSA-N 0 3 330.222 2.877 20 10 EFCDHN CNC(=O)C(C)(C)C[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-] ZINC000187417944 473869670 /nfs/dbraw/zinc/86/96/70/473869670.db2.gz NPELGPOALQFGAC-JTQLQIEISA-N 0 3 343.265 2.886 20 10 EFCDHN COc1cc(O)c(CNCc2ccc(C(C)(C)O)cc2)cc1OC ZINC000187525045 473881549 /nfs/dbraw/zinc/88/15/49/473881549.db2.gz NARYSKBDIUZTHJ-UHFFFAOYSA-N 0 3 331.412 2.927 20 10 EFCDHN COc1cc([O-])c(C[NH2+]Cc2ccc(C(C)(C)O)cc2)cc1OC ZINC000187525045 473881554 /nfs/dbraw/zinc/88/15/54/473881554.db2.gz NARYSKBDIUZTHJ-UHFFFAOYSA-N 0 3 331.412 2.927 20 10 EFCDHN Cc1cc(Br)cc(CN(C)[C@H](C)C[S@](C)=O)c1O ZINC000187826762 473928877 /nfs/dbraw/zinc/92/88/77/473928877.db2.gz XEQZCMOFEFGVLG-MGNBDDOMSA-N 0 3 334.279 2.662 20 10 EFCDHN Cc1cc(Br)cc(C[N@@H+]2CCC[C@H](CC(N)=O)C2)c1[O-] ZINC000180559978 473905006 /nfs/dbraw/zinc/90/50/06/473905006.db2.gz SZTCYNHDYUBXES-LLVKDONJSA-N 0 3 341.249 2.551 20 10 EFCDHN Cc1cc(Br)cc(C[N@H+]2CCC[C@H](CC(N)=O)C2)c1[O-] ZINC000180559978 473905013 /nfs/dbraw/zinc/90/50/13/473905013.db2.gz SZTCYNHDYUBXES-LLVKDONJSA-N 0 3 341.249 2.551 20 10 EFCDHN CCN1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])CC1 ZINC000187698966 473905681 /nfs/dbraw/zinc/90/56/81/473905681.db2.gz HZTRRDNPBHLCNL-KBPBESRZSA-N 0 3 341.446 2.595 20 10 EFCDHN CCCOc1ccc(C[NH2+][C@@H](CO)C[C@@H](O)c2ccccc2)c([O-])c1 ZINC000269914013 473916076 /nfs/dbraw/zinc/91/60/76/473916076.db2.gz IXHKLLVJKQYZLN-IEBWSBKVSA-N 0 3 345.439 2.755 20 10 EFCDHN O=C1c2ccccc2C(=O)N1CCCC[NH2+]Cc1cc(F)ccc1[O-] ZINC000180731980 473953373 /nfs/dbraw/zinc/95/33/73/473953373.db2.gz GPWDTNOMQNXMKH-UHFFFAOYSA-N 0 3 342.370 2.697 20 10 EFCDHN CC(C)(C)CCN1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000180963352 473993680 /nfs/dbraw/zinc/99/36/80/473993680.db2.gz SITSHELFDXBGLJ-FNORWQNLSA-N 0 3 332.444 2.691 20 10 EFCDHN CC1CCN(c2ccc(CNC(=O)N3CCCN(C)CC3)cc2)CC1 ZINC000264486511 474009860 /nfs/dbraw/zinc/00/98/60/474009860.db2.gz AIGMXBDTFCKMPJ-UHFFFAOYSA-N 0 3 344.503 2.770 20 10 EFCDHN O=C(/C=C/c1ccc(O)c(O)c1)N1CCN(C2CCCCC2)CC1 ZINC000181217340 474017742 /nfs/dbraw/zinc/01/77/42/474017742.db2.gz AIACKWXPEXAOAV-VQHVLOKHSA-N 0 3 330.428 2.588 20 10 EFCDHN CCCCN(Cc1ccccc1O)[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000282358967 474036415 /nfs/dbraw/zinc/03/64/15/474036415.db2.gz DBIKCJPGBSFBIE-KRWDZBQOSA-N 0 3 342.443 2.533 20 10 EFCDHN CCCCN(Cc1ccccc1O)C(=O)CCN1CCN(CC)CC1 ZINC000282414673 474057964 /nfs/dbraw/zinc/05/79/64/474057964.db2.gz GHOLHKLRUGIFBC-UHFFFAOYSA-N 0 3 347.503 2.549 20 10 EFCDHN COc1ccc([O-])c(C[NH2+]CC2(N3CCOCC3)CCCCC2)c1 ZINC000182147259 474109507 /nfs/dbraw/zinc/10/95/07/474109507.db2.gz LKGRNWLCSPDWBC-UHFFFAOYSA-N 0 3 334.460 2.526 20 10 EFCDHN COCCCn1nccc1CNCc1ccc2c(c1)CCCN2C ZINC000282632373 474135134 /nfs/dbraw/zinc/13/51/34/474135134.db2.gz KJQTUNXZNGOHNX-UHFFFAOYSA-N 0 3 328.460 2.592 20 10 EFCDHN COc1ccc(O)c([C@H](C)N[C@H]2CCN(c3ccccc3)C2=O)c1 ZINC000182322378 474148810 /nfs/dbraw/zinc/14/88/10/474148810.db2.gz FRBDYIPBTKYRCA-GUYCJALGSA-N 0 3 326.396 2.857 20 10 EFCDHN CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-] ZINC000275369430 474161020 /nfs/dbraw/zinc/16/10/20/474161020.db2.gz VKGLFANPVIKADK-UWVGGRQHSA-N 0 3 329.238 2.638 20 10 EFCDHN CS(=O)(=O)[C@H]1CCCC[C@@H]1NCc1ccc(N2CCCC2)cc1 ZINC000182385929 474163498 /nfs/dbraw/zinc/16/34/98/474163498.db2.gz RAWNJFWURXVTOM-ROUUACIJSA-N 0 3 336.501 2.732 20 10 EFCDHN CCN(CC)c1ccc(CN[C@H]2CCCC[C@@H]2S(C)(=O)=O)cc1 ZINC000182501337 474191388 /nfs/dbraw/zinc/19/13/88/474191388.db2.gz PNVJRECKEUFQGR-ROUUACIJSA-N 0 3 338.517 2.978 20 10 EFCDHN CC(C)S(=O)(=O)CC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000289248995 474195921 /nfs/dbraw/zinc/19/59/21/474195921.db2.gz AVODYNSKGZJFCY-UHFFFAOYSA-N 0 3 333.453 2.972 20 10 EFCDHN [O-]c1ccc(Br)cc1C[NH2+]C1CCN(C2CC2)CC1 ZINC000227435667 474245952 /nfs/dbraw/zinc/24/59/52/474245952.db2.gz YCIHOYSWYXASFF-UHFFFAOYSA-N 0 3 325.250 2.871 20 10 EFCDHN CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+]Cc2ccccc2[O-])cc1 ZINC000236678427 474279015 /nfs/dbraw/zinc/27/90/15/474279015.db2.gz NPQQPACWYGQUMT-UHFFFAOYSA-N 0 3 348.468 2.711 20 10 EFCDHN COc1ccc([O-])c([C@H](C)[NH2+]C2CCN(c3cc(C)[nH]n3)CC2)c1 ZINC000275817546 474329661 /nfs/dbraw/zinc/32/96/61/474329661.db2.gz DGUNNOMCTZHSFI-ZDUSSCGKSA-N 0 3 330.432 2.752 20 10 EFCDHN CNC(=O)[C@@H](C)C[N@H+](C)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000183120057 474333393 /nfs/dbraw/zinc/33/33/93/474333393.db2.gz OOMSBHLGBQRZQG-HNNXBMFYSA-N 0 3 342.439 2.785 20 10 EFCDHN CNC(=O)[C@@H](C)C[N@@H+](C)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000183120057 474333395 /nfs/dbraw/zinc/33/33/95/474333395.db2.gz OOMSBHLGBQRZQG-HNNXBMFYSA-N 0 3 342.439 2.785 20 10 EFCDHN CCOc1ccc(O)c(CN2CC[C@](C(=O)OC)(C(F)(F)F)C2)c1 ZINC000289597024 474338096 /nfs/dbraw/zinc/33/80/96/474338096.db2.gz KSAUHWBEXBTPCW-HNNXBMFYSA-N 0 3 347.333 2.718 20 10 EFCDHN COCCNC(=O)[C@H](CC(C)C)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000183336023 474373647 /nfs/dbraw/zinc/37/36/47/474373647.db2.gz FKXAMXTVTAOHCZ-QAPCUYQASA-N 0 3 335.492 2.581 20 10 EFCDHN CC[C@H]([NH2+]CC(=O)NCc1ccc(OC)cc1)c1ccccc1[O-] ZINC000183346985 474375497 /nfs/dbraw/zinc/37/54/97/474375497.db2.gz CLGKEIUQKAEHIG-KRWDZBQOSA-N 0 3 328.412 2.758 20 10 EFCDHN C[C@H]([NH2+]Cc1ccc(N2CCO[C@H](C)C2)nc1)c1ccccc1[O-] ZINC000183421632 474377987 /nfs/dbraw/zinc/37/79/87/474377987.db2.gz FSZZZVNDMXACII-CABCVRRESA-N 0 3 327.428 2.863 20 10 EFCDHN C[C@@H]([NH2+]CCN1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1[O-] ZINC000183492393 474385765 /nfs/dbraw/zinc/38/57/65/474385765.db2.gz WKQBAEUMSNVBFK-OAHLLOKOSA-N 0 3 349.475 2.596 20 10 EFCDHN C[C@@H]([NH2+][C@H]1CN(Cc2ccccc2)CC[C@@H]1CO)c1ccccc1[O-] ZINC000183523577 474388834 /nfs/dbraw/zinc/38/88/34/474388834.db2.gz PWJZESALXKBREP-POAQFYNOSA-N 0 3 340.467 2.926 20 10 EFCDHN COC[C@@]1(CNCc2ccc3c(c2)CCO3)OCCc2ccccc21 ZINC000289751385 474409836 /nfs/dbraw/zinc/40/98/36/474409836.db2.gz HNRMMNSPQARUKK-OAQYLSRUSA-N 0 3 339.435 2.826 20 10 EFCDHN COC[C@]1(CNCc2ccc3c(c2)CCO3)OCCc2ccccc21 ZINC000289751379 474410287 /nfs/dbraw/zinc/41/02/87/474410287.db2.gz HNRMMNSPQARUKK-NRFANRHFSA-N 0 3 339.435 2.826 20 10 EFCDHN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC1CCN(C)CC1 ZINC000266081781 474417999 /nfs/dbraw/zinc/41/79/99/474417999.db2.gz GBZWOTMQGUPMDL-UHFFFAOYSA-N 0 3 332.492 2.767 20 10 EFCDHN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C1CCN(C)CC1 ZINC000266145450 474419817 /nfs/dbraw/zinc/41/98/17/474419817.db2.gz BATPRCNZURFAFK-UHFFFAOYSA-N 0 3 329.488 2.977 20 10 EFCDHN COCCn1cc(CNCc2ccc(N3CCCCC3)cc2)cn1 ZINC000266225129 474426596 /nfs/dbraw/zinc/42/65/96/474426596.db2.gz SFBLRLNTFXFQPK-UHFFFAOYSA-N 0 3 328.460 2.810 20 10 EFCDHN COc1ccc(C[C@](C)(O)C[NH2+]Cc2cc(C)ccc2[O-])cc1OC ZINC000289801930 474434037 /nfs/dbraw/zinc/43/40/37/474434037.db2.gz MIEIFYOTLGSTBJ-FQEVSTJZSA-N 0 3 345.439 2.801 20 10 EFCDHN Cc1cc([O-])c(C[N@H+]2CCC[C@H]([C@@H](O)c3nccn3C)C2)cc1C ZINC000271268440 474466920 /nfs/dbraw/zinc/46/69/20/474466920.db2.gz JCXBIUJLSBRNNU-MAUKXSAKSA-N 0 3 329.444 2.688 20 10 EFCDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@H]([C@@H](O)c3nccn3C)C2)cc1C ZINC000271268440 474466928 /nfs/dbraw/zinc/46/69/28/474466928.db2.gz JCXBIUJLSBRNNU-MAUKXSAKSA-N 0 3 329.444 2.688 20 10 EFCDHN CCN1CCN(c2ccc(CN[C@@H](C)c3cn[nH]c3)cc2F)CC1 ZINC000283934162 474530290 /nfs/dbraw/zinc/53/02/90/474530290.db2.gz FERYOHNIJCMGJX-AWEZNQCLSA-N 0 3 331.439 2.542 20 10 EFCDHN C[C@H]1CN(C)CC[C@H]1[N@H+](C)Cc1cc(Br)ccc1[O-] ZINC000290525521 474575432 /nfs/dbraw/zinc/57/54/32/474575432.db2.gz QGZHHFNTOOEGLG-SMDDNHRTSA-N 0 3 327.266 2.927 20 10 EFCDHN C[C@H]1CN(C)CC[C@H]1[N@@H+](C)Cc1cc(Br)ccc1[O-] ZINC000290525521 474575437 /nfs/dbraw/zinc/57/54/37/474575437.db2.gz QGZHHFNTOOEGLG-SMDDNHRTSA-N 0 3 327.266 2.927 20 10 EFCDHN C[C@H]1CN(C)CC[C@@H]1[N@H+](C)Cc1cc(Br)ccc1[O-] ZINC000290525510 474576057 /nfs/dbraw/zinc/57/60/57/474576057.db2.gz QGZHHFNTOOEGLG-FZMZJTMJSA-N 0 3 327.266 2.927 20 10 EFCDHN C[C@H]1CN(C)CC[C@@H]1[N@@H+](C)Cc1cc(Br)ccc1[O-] ZINC000290525510 474576059 /nfs/dbraw/zinc/57/60/59/474576059.db2.gz QGZHHFNTOOEGLG-FZMZJTMJSA-N 0 3 327.266 2.927 20 10 EFCDHN COCCN(Cc1ccc2c(c1)OCO2)Cc1cc(OC)ccc1O ZINC000271727728 474588077 /nfs/dbraw/zinc/58/80/77/474588077.db2.gz MGJAOHVVJUVQJO-UHFFFAOYSA-N 0 3 345.395 2.778 20 10 EFCDHN COc1cc([O-])c(C[NH2+][C@H]2CCO[C@]3(CCSC3)C2)cc1OC ZINC000271789953 474590837 /nfs/dbraw/zinc/59/08/37/474590837.db2.gz GNPCXUKFASADDW-SUMWQHHRSA-N 0 3 339.457 2.554 20 10 EFCDHN COc1cc(Cl)cc(C[NH2+]C[C@@]2(O)CCc3ccccc32)c1[O-] ZINC000184710311 474591713 /nfs/dbraw/zinc/59/17/13/474591713.db2.gz SUXSNOCDSWBBLQ-SFHVURJKSA-N 0 3 333.815 2.978 20 10 EFCDHN COc1cc(O)c(CN(C)C[C@H]2COc3ccccc3O2)cc1OC ZINC000271835175 474595834 /nfs/dbraw/zinc/59/58/34/474595834.db2.gz RWAUCRYGXOTEMY-AWEZNQCLSA-N 0 3 345.395 2.681 20 10 EFCDHN COC(=O)c1cc(CNCc2ccc(N(C)C)c(F)c2)n(C)c1C ZINC000291209406 474597337 /nfs/dbraw/zinc/59/73/37/474597337.db2.gz NYDBSODILIYPSC-UHFFFAOYSA-N 0 3 333.407 2.615 20 10 EFCDHN CCN(CC)c1ccc(CNC(=O)N2CC[C@H]3CCN(C)C[C@@H]32)cc1 ZINC000272440349 474612425 /nfs/dbraw/zinc/61/24/25/474612425.db2.gz KZCFLXMQZNTXBH-MJGOQNOKSA-N 0 3 344.503 2.768 20 10 EFCDHN CN1CC[C@@H]2CCN(C(=O)NCc3ccc(N4CCCC4)cc3)[C@H]2C1 ZINC000272473890 474613071 /nfs/dbraw/zinc/61/30/71/474613071.db2.gz QOAICCMRXPWCBN-MJGOQNOKSA-N 0 3 342.487 2.522 20 10 EFCDHN CCOc1cccc(CN2CCC[C@H]([C@@H](O)C(F)(F)F)C2)c1O ZINC000278340349 474615069 /nfs/dbraw/zinc/61/50/69/474615069.db2.gz HQRGDDUSOIXZKA-SWLSCSKDSA-N 0 3 333.350 2.926 20 10 EFCDHN CN1CCCc2cc(CN[C@H]3CCC[C@H](S(C)(=O)=O)C3)ccc21 ZINC000284309493 474616435 /nfs/dbraw/zinc/61/64/35/474616435.db2.gz ZFUFGVZGKVGWNR-IRXDYDNUSA-N 0 3 336.501 2.514 20 10 EFCDHN C[C@H](NC(=O)NCc1ccc2c(c1)CCCN2C)C1=CCN(C)CC1 ZINC000272748736 474624215 /nfs/dbraw/zinc/62/42/15/474624215.db2.gz NFBJHBDJPBPOPF-HNNXBMFYSA-N 0 3 342.487 2.519 20 10 EFCDHN C[C@H](CN1CCN(c2ccccn2)CC1)[NH2+][C@H](C)c1ccccc1[O-] ZINC000272803989 474625319 /nfs/dbraw/zinc/62/53/19/474625319.db2.gz BXAXVFZMFJXLTK-IAGOWNOFSA-N 0 3 340.471 2.649 20 10 EFCDHN COc1cc([O-])c(C[NH2+]C[C@@]2(CO)C[C@H]2c2ccccc2)cc1OC ZINC000291592395 474626672 /nfs/dbraw/zinc/62/66/72/474626672.db2.gz PZFAKWMNVMQUOZ-OXJNMPFZSA-N 0 3 343.423 2.665 20 10 EFCDHN COc1cc(O)c(CN2CCC[C@H]([C@H](O)C(F)(F)F)C2)cc1OC ZINC000278438562 474644068 /nfs/dbraw/zinc/64/40/68/474644068.db2.gz VILXSHYYANXJLP-BONVTDFDSA-N 0 3 349.349 2.545 20 10 EFCDHN C[C@H]([NH2+]CC1(N2CCOCC2)CC1)c1cc2c(cc1[O-])CCCC2 ZINC000278506292 474667792 /nfs/dbraw/zinc/66/77/92/474667792.db2.gz RAUWBXFZGBCUQB-HNNXBMFYSA-N 0 3 330.472 2.786 20 10 EFCDHN Oc1cc2c(cc1CN1CCC(OC[C@@H]3CCCCO3)CC1)OCO2 ZINC000267413694 474668457 /nfs/dbraw/zinc/66/84/57/474668457.db2.gz QXEFFACJCVKYLR-INIZCTEOSA-N 0 3 349.427 2.671 20 10 EFCDHN COc1c([O-])c(C[NH2+]CC2(CN(C)C)CCCC2)ccc1[N+](=O)[O-] ZINC000278527056 474682374 /nfs/dbraw/zinc/68/23/74/474682374.db2.gz UDYWQTQKQRUTLZ-UHFFFAOYSA-N 0 3 337.420 2.521 20 10 EFCDHN COc1cc(OC)cc(OCCC[NH2+]Cc2cccc(OC)c2[O-])c1 ZINC000267905102 474702774 /nfs/dbraw/zinc/70/27/74/474702774.db2.gz MOTAIJYOMWVWSK-UHFFFAOYSA-N 0 3 347.411 2.977 20 10 EFCDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)COCC(F)(F)F ZINC000292986221 474751482 /nfs/dbraw/zinc/75/14/82/474751482.db2.gz ROKSKRUGNNTULN-CQSZACIVSA-N 0 3 335.366 2.934 20 10 EFCDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@@H](O)COCC(F)(F)F ZINC000292986221 474751489 /nfs/dbraw/zinc/75/14/89/474751489.db2.gz ROKSKRUGNNTULN-CQSZACIVSA-N 0 3 335.366 2.934 20 10 EFCDHN COc1cccc(C[NH2+][C@H]2CCO[C@@H]2c2ccnn2C(C)C)c1[O-] ZINC000284867292 474805436 /nfs/dbraw/zinc/80/54/36/474805436.db2.gz YIUZEPNYJKYEQA-KSSFIOAISA-N 0 3 331.416 2.798 20 10 EFCDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000268143351 474825331 /nfs/dbraw/zinc/82/53/31/474825331.db2.gz KXZLKAFZKCVQDX-UGSOOPFHSA-N 0 3 343.471 2.553 20 10 EFCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H](O)COc2ccc3c(c2)OCO3)c([O-])c1 ZINC000273369991 474863711 /nfs/dbraw/zinc/86/37/11/474863711.db2.gz FWKUFHRNDKZOKZ-UONOGXRCSA-N 0 3 345.395 2.520 20 10 EFCDHN COc1cc(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])ccc1OCCO ZINC000273408996 474883190 /nfs/dbraw/zinc/88/31/90/474883190.db2.gz PDILBVPTKMKFSU-LBPRGKRZSA-N 0 3 335.375 2.762 20 10 EFCDHN COC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](Cc2cc(C)c(C)cc2[O-])CC1 ZINC000292196331 474897743 /nfs/dbraw/zinc/89/77/43/474897743.db2.gz ZKSWNUCSWDLRDV-MJGOQNOKSA-N 0 3 347.455 2.799 20 10 EFCDHN C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C1=O)c1cc(F)ccc1[O-] ZINC000273457939 474909491 /nfs/dbraw/zinc/90/94/91/474909491.db2.gz HJXIRJMCGCJCHF-GUYCJALGSA-N 0 3 328.387 2.983 20 10 EFCDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@]2(O)CCO[C@H]2C)c1[O-] ZINC000278910565 474911415 /nfs/dbraw/zinc/91/14/15/474911415.db2.gz VRWLJMQTKNGSNR-ZIBATOQPSA-N 0 3 344.249 2.654 20 10 EFCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCCN(Cc3ccccn3)C2=O)c([O-])c1 ZINC000273506010 474933815 /nfs/dbraw/zinc/93/38/15/474933815.db2.gz ZMJIGWMRLLERJG-YJBOKZPZSA-N 0 3 339.439 2.937 20 10 EFCDHN CCOc1cccc(C[NH2+][C@H]2CCCN(C(=O)N3CCCC3)C2)c1[O-] ZINC000285345859 474979848 /nfs/dbraw/zinc/97/98/48/474979848.db2.gz AKWFMQRQKTUVCV-INIZCTEOSA-N 0 3 347.459 2.561 20 10 EFCDHN CSC[C@H]1CCCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000292362019 474983215 /nfs/dbraw/zinc/98/32/15/474983215.db2.gz IHHYPSDQMKGLDV-KRWDZBQOSA-N 0 3 349.544 2.786 20 10 EFCDHN O=C(NC1CC1)N[C@H]1CC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000273600287 474984501 /nfs/dbraw/zinc/98/45/01/474984501.db2.gz JFRCBBNLJSNRFH-HNNXBMFYSA-N 0 3 325.412 2.581 20 10 EFCDHN O=C(NC1CC1)N[C@H]1CC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000273600287 474984513 /nfs/dbraw/zinc/98/45/13/474984513.db2.gz JFRCBBNLJSNRFH-HNNXBMFYSA-N 0 3 325.412 2.581 20 10 EFCDHN CS(=O)(=O)C1(C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000279664276 474985625 /nfs/dbraw/zinc/98/56/25/474985625.db2.gz MFZZEVGEAHVTCL-UHFFFAOYSA-N 0 3 331.437 2.726 20 10 EFCDHN C[C@H](NC(=O)c1cccc(O)c1[O-])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000279789553 474991056 /nfs/dbraw/zinc/99/10/56/474991056.db2.gz IMCVXJLWYRDKKJ-GOEBONIOSA-N 0 3 340.423 2.738 20 10 EFCDHN C[C@H](NC(=O)c1cccc(O)c1[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000279789553 474991067 /nfs/dbraw/zinc/99/10/67/474991067.db2.gz IMCVXJLWYRDKKJ-GOEBONIOSA-N 0 3 340.423 2.738 20 10 EFCDHN Cc1cc(CN[C@@H](C(N)=O)[C@@H](C)c2ccccc2)ccc1N(C)C ZINC000293529511 475024035 /nfs/dbraw/zinc/02/40/35/475024035.db2.gz JGWIWWFDTDZPPM-HNAYVOBHSA-N 0 3 325.456 2.808 20 10 EFCDHN CCOc1cccc(C[NH2+]CCn2cc(Br)cn2)c1[O-] ZINC000285495083 475028588 /nfs/dbraw/zinc/02/85/88/475028588.db2.gz MSLKKCMHOIYZST-UHFFFAOYSA-N 0 3 340.221 2.540 20 10 EFCDHN CCN(CC)c1ccc(CNCC2(S(C)(=O)=O)CCCC2)cc1 ZINC000285611480 475033823 /nfs/dbraw/zinc/03/38/23/475033823.db2.gz XJJRDUSWRLAGDF-UHFFFAOYSA-N 0 3 338.517 2.980 20 10 EFCDHN Cc1noc(CCC[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)n1 ZINC000268623457 475037659 /nfs/dbraw/zinc/03/76/59/475037659.db2.gz BXFGPNRTZDCRBC-INIZCTEOSA-N 0 3 331.416 2.697 20 10 EFCDHN Cc1noc(CCC[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)n1 ZINC000268623457 475037664 /nfs/dbraw/zinc/03/76/64/475037664.db2.gz BXFGPNRTZDCRBC-INIZCTEOSA-N 0 3 331.416 2.697 20 10 EFCDHN C[C@@H]([NH2+]CCn1cc(Br)cn1)c1cc(F)ccc1[O-] ZINC000285784822 475040375 /nfs/dbraw/zinc/04/03/75/475040375.db2.gz UWJCVOOGLBESPZ-SECBINFHSA-N 0 3 328.185 2.841 20 10 EFCDHN C[C@H](NC[C@H]1CCS(=O)(=O)C1)c1ccc(N2CCCCC2)cc1 ZINC000268749674 475040620 /nfs/dbraw/zinc/04/06/20/475040620.db2.gz IXXPBQSOSCMSCT-JKSUJKDBSA-N 0 3 336.501 2.762 20 10 EFCDHN CC[C@@H]([NH2+]C[C@@H](C(C)C)N1CCN(C)CC1)c1ccc(F)cc1[O-] ZINC000285760293 475041215 /nfs/dbraw/zinc/04/12/15/475041215.db2.gz SDCQUKHQEDEIHA-MSOLQXFVSA-N 0 3 337.483 2.844 20 10 EFCDHN CC[C@H]([NH2+]Cc1cc(Cl)cc(OC)c1[O-])[C@H](O)C(F)(F)F ZINC000273761849 475046379 /nfs/dbraw/zinc/04/63/79/475046379.db2.gz PFZWXDHIUZVKBF-CABZTGNLSA-N 0 3 327.730 2.846 20 10 EFCDHN COc1cc(O)c(CN[C@@H](c2cccnc2)C(C)(C)CO)cc1OC ZINC000293708906 475048227 /nfs/dbraw/zinc/04/82/27/475048227.db2.gz SGCSQLJUUXQCRX-SFHVURJKSA-N 0 3 346.427 2.654 20 10 EFCDHN C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[N@@H+]2Cc2cc3c(cc2[O-])OCO3)C1 ZINC000281133331 475084870 /nfs/dbraw/zinc/08/48/70/475084870.db2.gz DBQYJOROBFXCSU-OEAJRASXSA-N 0 3 333.428 2.882 20 10 EFCDHN C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[N@H+]2Cc2cc3c(cc2[O-])OCO3)C1 ZINC000281133331 475084877 /nfs/dbraw/zinc/08/48/77/475084877.db2.gz DBQYJOROBFXCSU-OEAJRASXSA-N 0 3 333.428 2.882 20 10 EFCDHN COc1cc([N+](=O)[O-])c(N2CCN(C3CC3)C[C@@H](C)C2)cc1OC ZINC000294957936 475094264 /nfs/dbraw/zinc/09/42/64/475094264.db2.gz NBZFRZXFYFQPQD-GFCCVEGCSA-N 0 3 335.404 2.533 20 10 EFCDHN CN(C)c1ccc(CN(C[C@@H](O)COCC(F)(F)F)C2CC2)cc1 ZINC000292576321 475096264 /nfs/dbraw/zinc/09/62/64/475096264.db2.gz ZBUWWVMHIVJRKU-MRXNPFEDSA-N 0 3 346.393 2.657 20 10 EFCDHN C[C@H]([NH2+]C[C@H]1CCCS(=O)(=O)C1)c1cc2c(cc1[O-])CCCC2 ZINC000287242054 475099643 /nfs/dbraw/zinc/09/96/43/475099643.db2.gz YWTDGNAOGRUYQR-UONOGXRCSA-N 0 3 337.485 2.746 20 10 EFCDHN CCN1CCN(Cc2ccc(N3CCC(OC)CC3)cc2)[C@H](C)C1 ZINC000295384254 475123099 /nfs/dbraw/zinc/12/30/99/475123099.db2.gz UGSOUSMHVKXEIQ-QGZVFWFLSA-N 0 3 331.504 2.828 20 10 EFCDHN C[C@H](NCCNc1ccccn1)c1ccc(N2CCOCC2)c(F)c1 ZINC000269002500 475123248 /nfs/dbraw/zinc/12/32/48/475123248.db2.gz PQRQJFWYOUDHRQ-HNNXBMFYSA-N 0 3 344.434 2.820 20 10 EFCDHN C[C@@H]([NH2+][C@@H]1CCCN(C(=O)N2CCCC2)C1)c1cc(F)ccc1[O-] ZINC000287457602 475157499 /nfs/dbraw/zinc/15/74/99/475157499.db2.gz LSLQMALQWCJCCJ-UKRRQHHQSA-N 0 3 335.423 2.862 20 10 EFCDHN O=C1N[C@H]2CCN(Cc3ccc(N4CCCCC4)cc3)C[C@@H]2CO1 ZINC000281360882 475185517 /nfs/dbraw/zinc/18/55/17/475185517.db2.gz UWSYDAKANGSQBX-AEFFLSMTSA-N 0 3 329.444 2.607 20 10 EFCDHN C[N@@H+]1CC[C@]2(CCN(Cc3cc(Br)ccc3[O-])C2)C1 ZINC000292777170 475192840 /nfs/dbraw/zinc/19/28/40/475192840.db2.gz LALDBUKAAOTCFA-HNNXBMFYSA-N 0 3 325.250 2.682 20 10 EFCDHN C[N@H+]1CC[C@]2(CCN(Cc3cc(Br)ccc3[O-])C2)C1 ZINC000292777170 475192841 /nfs/dbraw/zinc/19/28/41/475192841.db2.gz LALDBUKAAOTCFA-HNNXBMFYSA-N 0 3 325.250 2.682 20 10 EFCDHN Cc1c2ccccc2n(C)c1CNC(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000349702869 475987998 /nfs/dbraw/zinc/98/79/98/475987998.db2.gz NMTZYTDETNGJFO-ZFWWWQNUSA-N 0 3 340.471 2.911 20 10 EFCDHN Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000349805343 476005029 /nfs/dbraw/zinc/00/50/29/476005029.db2.gz VITNARZIPHNIRX-HNNXBMFYSA-N 0 3 340.471 2.936 20 10 EFCDHN CCN1CCCN(C(=O)NCc2c(C)c3ccccc3n2C)CC1 ZINC000350030356 476035377 /nfs/dbraw/zinc/03/53/77/476035377.db2.gz BLBUQUMBTOUXJZ-UHFFFAOYSA-N 0 3 328.460 2.724 20 10 EFCDHN Cc1c2ccccc2n(C)c1CNC(=O)N1CCC[C@@H](N(C)C)C1 ZINC000350080048 476043402 /nfs/dbraw/zinc/04/34/02/476043402.db2.gz OLELSMFXKWOQMQ-OAHLLOKOSA-N 0 3 328.460 2.722 20 10 EFCDHN COc1cc(Cl)cc(C[NH2+]CC2(O)Cc3ccccc3C2)c1[O-] ZINC000359865588 476268890 /nfs/dbraw/zinc/26/88/90/476268890.db2.gz GPTOPJBUHKTEOL-UHFFFAOYSA-N 0 3 333.815 2.674 20 10 EFCDHN Cc1cc(Br)cc(C[N@@H+]2CC[C@](O)(C3CC3)C2)c1[O-] ZINC000373325154 476393010 /nfs/dbraw/zinc/39/30/10/476393010.db2.gz SDPDIUMSIIIXKT-OAHLLOKOSA-N 0 3 326.234 2.810 20 10 EFCDHN Cc1cc(Br)cc(C[N@H+]2CC[C@](O)(C3CC3)C2)c1[O-] ZINC000373325154 476393017 /nfs/dbraw/zinc/39/30/17/476393017.db2.gz SDPDIUMSIIIXKT-OAHLLOKOSA-N 0 3 326.234 2.810 20 10 EFCDHN c1cc(N2CCOCC2)ccc1CN1CCC[C@@H](OCC2CC2)C1 ZINC000373535663 476413838 /nfs/dbraw/zinc/41/38/38/476413838.db2.gz RUMCKZFEIZSFQV-HXUWFJFHSA-N 0 3 330.472 2.914 20 10 EFCDHN Cc1cccc(CN2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)c1O ZINC000373832288 476431693 /nfs/dbraw/zinc/43/16/93/476431693.db2.gz RLUAFRZHTGQYGO-UXHICEINSA-N 0 3 338.451 2.786 20 10 EFCDHN COc1cc(Br)cc(CN2CC[C@@](O)(C3CC3)C2)c1O ZINC000369675643 476473266 /nfs/dbraw/zinc/47/32/66/476473266.db2.gz HNZAWQLBCIEOCW-HNNXBMFYSA-N 0 3 342.233 2.510 20 10 EFCDHN CN(Cc1cccc(Cl)c1[O-])[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000377626842 476483030 /nfs/dbraw/zinc/48/30/30/476483030.db2.gz NBKVJFCRMXMMHB-MRXNPFEDSA-N 0 3 337.895 2.646 20 10 EFCDHN CN(Cc1cccc(Cl)c1[O-])[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000377626842 476483037 /nfs/dbraw/zinc/48/30/37/476483037.db2.gz NBKVJFCRMXMMHB-MRXNPFEDSA-N 0 3 337.895 2.646 20 10 EFCDHN O=C1C[C@H]([NH2+]Cc2cc(F)ccc2[O-])CN1[C@@H]1C[C@@H]1c1ccccc1 ZINC000374899399 476580994 /nfs/dbraw/zinc/58/09/94/476580994.db2.gz RVLOBCXQMYBRJR-RCCFBDPRSA-N 0 3 340.398 2.778 20 10 EFCDHN CCO[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(OC)c2[O-])[C@]12CCCO2 ZINC000375205739 476717450 /nfs/dbraw/zinc/71/74/50/476717450.db2.gz FKKCZQJTXLXSLF-ZMSDIMECSA-N 0 3 341.835 2.870 20 10 EFCDHN COc1cc(O)c(CN2CCC[C@@H]2c2cn(C)nc2C)cc1OC ZINC000371360433 477265022 /nfs/dbraw/zinc/26/50/22/477265022.db2.gz GPYLBTYFJSHOMA-OAHLLOKOSA-N 0 3 331.416 2.788 20 10 EFCDHN [O-]c1ccc(Cl)cc1C[NH+]1CCC(CCN2CCOCC2)CC1 ZINC000371416633 477307103 /nfs/dbraw/zinc/30/71/03/477307103.db2.gz MVDFSKJGKYTUFC-UHFFFAOYSA-N 0 3 338.879 2.980 20 10 EFCDHN Cc1c2ccccc2n(C)c1CNC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000471896256 478010966 /nfs/dbraw/zinc/01/09/66/478010966.db2.gz DAZSAQFRYVNOEL-AWEZNQCLSA-N 0 3 326.444 2.523 20 10 EFCDHN Cc1c2ccccc2n(C)c1CNC(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C ZINC000472221618 478013428 /nfs/dbraw/zinc/01/34/28/478013428.db2.gz IARCNDSIKAQKIX-WMLDXEAASA-N 0 3 342.487 2.968 20 10 EFCDHN CCOc1ccc(C[NH2+][C@]2(COC)COc3ccccc3C2)c([O-])c1 ZINC000527801562 478525030 /nfs/dbraw/zinc/52/50/30/478525030.db2.gz SKGFEBOXAUOUNE-HXUWFJFHSA-N 0 3 343.423 2.901 20 10 EFCDHN CN(C(=O)C=Cc1c[nH]cn1)c1ccc(OCCN2CCCC2)cc1 ZINC000492810266 479021070 /nfs/dbraw/zinc/02/10/70/479021070.db2.gz HVPRONMDWVNFFV-RUDMXATFSA-N 0 3 340.427 2.561 20 10 EFCDHN C[C@H]([NH2+]Cc1cccc(OCC(=O)N(C)C)c1)c1ccccc1[O-] ZINC000183429392 533929516 /nfs/dbraw/zinc/92/95/16/533929516.db2.gz JFMBDIJDGRSTHU-AWEZNQCLSA-N 0 3 328.412 2.710 20 10 EFCDHN COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@H](C)N)cc1 ZINC000163669934 533986858 /nfs/dbraw/zinc/98/68/58/533986858.db2.gz OSCGXJZCOBBYAZ-AWEZNQCLSA-N 0 3 327.428 2.642 20 10 EFCDHN CS(=O)(=O)Cc1cccc(C[NH2+][C@H]2CCc3cccc([O-])c32)c1 ZINC000297759976 525143061 /nfs/dbraw/zinc/14/30/61/525143061.db2.gz ORIFDRRXTBVFQH-INIZCTEOSA-N 0 3 331.437 2.714 20 10 EFCDHN COc1cccc(CNCc2ccccc2N2CCO[C@@H](C)C2)c1O ZINC000298166828 526026969 /nfs/dbraw/zinc/02/69/69/526026969.db2.gz TVISLCGWBMXNSV-HNNXBMFYSA-N 0 3 342.439 2.916 20 10 EFCDHN CC(C)N(CCN(C)C)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000159109826 528896541 /nfs/dbraw/zinc/89/65/41/528896541.db2.gz FCVABYILWHODAC-UHFFFAOYSA-N 0 3 330.476 2.544 20 10 EFCDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)Cc1ccc(N)cc1 ZINC000286175800 535865200 /nfs/dbraw/zinc/86/52/00/535865200.db2.gz RFCYJHTYBZPCSX-UHFFFAOYSA-N 0 3 329.419 2.541 20 10 EFCDHN NC(=O)c1ccc(C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])cn1 ZINC000754048996 575380131 /nfs/dbraw/zinc/38/01/31/575380131.db2.gz YQIWXVNQKPPMJJ-UHFFFAOYSA-N 0 3 333.391 2.843 20 10 EFCDHN [O-]c1ccccc1C[N@@H+](C[C@@H](O)COC1CCOCC1)C1CCCC1 ZINC000755943247 575660704 /nfs/dbraw/zinc/66/07/04/575660704.db2.gz GPAAUFHPEZFKDW-GOSISDBHSA-N 0 3 349.471 2.693 20 10 EFCDHN [O-]c1ccccc1C[N@H+](C[C@@H](O)COC1CCOCC1)C1CCCC1 ZINC000755943247 575660706 /nfs/dbraw/zinc/66/07/06/575660706.db2.gz GPAAUFHPEZFKDW-GOSISDBHSA-N 0 3 349.471 2.693 20 10 EFCDHN Cc1ccc([C@@H](C)[NH2+]CCCN2C(=O)NC3(CCCC3)C2=O)c([O-])c1 ZINC000756362107 575723259 /nfs/dbraw/zinc/72/32/59/575723259.db2.gz MLPHYAXOCILBQP-CQSZACIVSA-N 0 3 345.443 2.606 20 10 EFCDHN COCC(=O)Nc1cccc(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])c1 ZINC000756379554 575726976 /nfs/dbraw/zinc/72/69/76/575726976.db2.gz OZUQUILSAXWSMT-LBPRGKRZSA-N 0 3 332.375 2.967 20 10 EFCDHN Cc1ccc([C@@H](C)[NH2+]Cc2cccc(NS(C)(=O)=O)c2)c([O-])c1 ZINC000756383553 575727508 /nfs/dbraw/zinc/72/75/08/575727508.db2.gz JZTWNMMXUZFOOP-CYBMUJFWSA-N 0 3 334.441 2.923 20 10 EFCDHN C[C@@H]([NH2+]Cc1cccc(NS(C)(=O)=O)c1)c1cc(F)ccc1[O-] ZINC000756385546 575727883 /nfs/dbraw/zinc/72/78/83/575727883.db2.gz RWWWILUUBILMTP-LLVKDONJSA-N 0 3 338.404 2.754 20 10 EFCDHN CC(C)[C@@H](C[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F)N1CCN(C)CC1 ZINC000756398125 575730727 /nfs/dbraw/zinc/73/07/27/575730727.db2.gz BTLJORIXIJSWDI-HYVNUMGLSA-N 0 3 349.494 2.941 20 10 EFCDHN C[C@@H]([NH2+]CCCCN1CCN(C)CC1)c1cc(Cl)ccc1[O-] ZINC000756408490 575732653 /nfs/dbraw/zinc/73/26/53/575732653.db2.gz OPBKNMBFXQZAQA-CQSZACIVSA-N 0 3 325.884 2.724 20 10 EFCDHN COc1ccc([O-])c([C@H](C)[NH2+]CCNC(=O)c2ccc(F)cc2)c1 ZINC000756456456 575742129 /nfs/dbraw/zinc/74/21/29/575742129.db2.gz XOGYVXKOJVQWCV-LBPRGKRZSA-N 0 3 332.375 2.621 20 10 EFCDHN Cc1ccc([C@H](C)[NH2+]CCOc2ccc(S(C)(=O)=O)cc2)c([O-])c1 ZINC000756558435 575761756 /nfs/dbraw/zinc/76/17/56/575761756.db2.gz ZQDMXILRWGDLKB-AWEZNQCLSA-N 0 3 349.452 2.834 20 10 EFCDHN C[C@@H](NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1cc(F)cc(F)c1[O-] ZINC000756587044 575765703 /nfs/dbraw/zinc/76/57/03/575765703.db2.gz YJCLEEFSTYCNJA-OLZOCXBDSA-N 0 3 340.414 2.822 20 10 EFCDHN C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(CC(F)(F)F)C2=O)c2c1c(F)ccc2[O-] ZINC000756713908 575780028 /nfs/dbraw/zinc/78/00/28/575780028.db2.gz ZALIUGCCVLCWLN-IEBDPFPHSA-N 0 3 346.324 2.832 20 10 EFCDHN C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCCS2(=O)=O)c2c1c(F)ccc2[O-] ZINC000757656973 575847971 /nfs/dbraw/zinc/84/79/71/575847971.db2.gz SXDAGCFIVOVDNE-NQBHXWOUSA-N 0 3 327.421 2.637 20 10 EFCDHN COc1cccc(C[NH2+]C[C@]2(CO)C[C@@H]2c2ccc(F)cc2)c1[O-] ZINC000758521241 575871498 /nfs/dbraw/zinc/87/14/98/575871498.db2.gz ARLQWKLBJDZFHW-APWZRJJASA-N 0 3 331.387 2.796 20 10 EFCDHN [O-]c1cc2c(cc1C[NH2+]C[C@@]1(CO)C[C@H]1c1ccc(F)cc1)OCO2 ZINC000758526216 575871591 /nfs/dbraw/zinc/87/15/91/575871591.db2.gz FMAOFEHXUHLAMM-HNAYVOBHSA-N 0 3 345.370 2.516 20 10 EFCDHN O=[N+]([O-])c1cc(CN[C@H](CO)CC(F)F)ccc1N1CCCCC1 ZINC000758612689 575874126 /nfs/dbraw/zinc/87/41/26/575874126.db2.gz HCNQTUYOFVRKFN-ZDUSSCGKSA-N 0 3 343.374 2.691 20 10 EFCDHN CCC1(CC)[C@H](NCC(=O)NCc2ccc(N(C)C)cc2)C[C@H]1OC ZINC000759601528 575907386 /nfs/dbraw/zinc/90/73/86/575907386.db2.gz NWKBJMAFDPRGJP-QZTJIDSGSA-N 0 3 347.503 2.552 20 10 EFCDHN CN(C)C[C@H]1CN(C(=O)/C=C\c2cncc(F)c2)c2ccccc2O1 ZINC000760823397 576077991 /nfs/dbraw/zinc/07/79/91/576077991.db2.gz UVFYPKJRISRAFY-PTZVLDCSSA-N 0 3 341.386 2.590 20 10 EFCDHN CN(Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)CC1(O)CCC1 ZINC000761219399 576131528 /nfs/dbraw/zinc/13/15/28/576131528.db2.gz PLMRSMJWELAQAE-UHFFFAOYSA-N 0 3 333.432 2.932 20 10 EFCDHN COc1ccc(CN(C)c2ccc(OCCN(C)C)cc2)cc1O ZINC000761222516 576131816 /nfs/dbraw/zinc/13/18/16/576131816.db2.gz KEBOFOHYAIOEIJ-UHFFFAOYSA-N 0 3 330.428 2.978 20 10 EFCDHN CN(C)CCOc1ccc(N(C)Cc2ccc3c(c2)nnn3C)cc1 ZINC000761221897 576131893 /nfs/dbraw/zinc/13/18/93/576131893.db2.gz FWSUBDOEINEUEX-UHFFFAOYSA-N 0 3 339.443 2.545 20 10 EFCDHN C[C@@H](NCCN1CCCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000764617527 576480284 /nfs/dbraw/zinc/48/02/84/576480284.db2.gz CTKWARYGPVEWJM-OAHLLOKOSA-N 0 3 337.895 2.923 20 10 EFCDHN COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@H]2CCCCN2C2CC2)c1 ZINC000764850050 576511730 /nfs/dbraw/zinc/51/17/30/576511730.db2.gz JZVDLKXYHVRQIX-HIFRSBDPSA-N 0 3 347.459 2.778 20 10 EFCDHN Fc1cc(CN[C@@H]2CCCc3cn[nH]c32)ccc1N1CCOCC1 ZINC000765278050 577026154 /nfs/dbraw/zinc/02/61/54/577026154.db2.gz AEDZNIIPISAQLV-MRXNPFEDSA-N 0 3 330.407 2.553 20 10 EFCDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCc1ccccc1O ZINC000765313113 577031188 /nfs/dbraw/zinc/03/11/88/577031188.db2.gz BIFQAEXUJDZKGE-YJBOKZPZSA-N 0 3 339.439 2.712 20 10 EFCDHN C[C@@H](N[C@@H](C)C(=O)NC1CCCC1)c1ccc(N2CCOCC2)cc1 ZINC000765422599 577040773 /nfs/dbraw/zinc/04/07/73/577040773.db2.gz AJYJHMFGLCTADD-CVEARBPZSA-N 0 3 345.487 2.621 20 10 EFCDHN C[C@H](NCCCS(C)(=O)=O)c1ccc(N2CCCCC2)c(F)c1 ZINC000765752097 577072912 /nfs/dbraw/zinc/07/29/12/577072912.db2.gz BBFXLNWQCYRXNE-AWEZNQCLSA-N 0 3 342.480 2.901 20 10 EFCDHN CCOc1ccc(C[NH2+]C2CCN(C(=O)C(C)(C)C)CC2)c([O-])c1 ZINC000725845889 577246777 /nfs/dbraw/zinc/24/67/77/577246777.db2.gz MPOUFDJYSJMMCD-UHFFFAOYSA-N 0 3 334.460 2.918 20 10 EFCDHN CC(C)[N@@H+]1CC[C@H](CNCc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000725848924 577248806 /nfs/dbraw/zinc/24/88/06/577248806.db2.gz CVZKOGKKYUSVFY-LLVKDONJSA-N 0 3 327.812 2.774 20 10 EFCDHN CC(C)[N@H+]1CC[C@H](CNCc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000725848924 577248810 /nfs/dbraw/zinc/24/88/10/577248810.db2.gz CVZKOGKKYUSVFY-LLVKDONJSA-N 0 3 327.812 2.774 20 10 EFCDHN CC(C)N1CC[C@H](C[NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000725848924 577248812 /nfs/dbraw/zinc/24/88/12/577248812.db2.gz CVZKOGKKYUSVFY-LLVKDONJSA-N 0 3 327.812 2.774 20 10 EFCDHN CCOc1ccc(C[N@H+](CCC(N)=O)Cc2ccccc2)c([O-])c1 ZINC000768215077 577260983 /nfs/dbraw/zinc/26/09/83/577260983.db2.gz XHRZKMVONLVXEJ-UHFFFAOYSA-N 0 3 328.412 2.669 20 10 EFCDHN CCOc1ccc(C[N@@H+](CCC(N)=O)Cc2ccccc2)c([O-])c1 ZINC000768215077 577260984 /nfs/dbraw/zinc/26/09/84/577260984.db2.gz XHRZKMVONLVXEJ-UHFFFAOYSA-N 0 3 328.412 2.669 20 10 EFCDHN CCOc1ccc(C[NH+]2CCC(C(=O)NCC(C)C)CC2)c([O-])c1 ZINC000768229570 577261954 /nfs/dbraw/zinc/26/19/54/577261954.db2.gz LWVLRULXTKQUDC-UHFFFAOYSA-N 0 3 334.460 2.775 20 10 EFCDHN CCOc1ccc(C[N@H+](C)Cc2cc3c(cc2[O-])OC[C@H]3O)cc1 ZINC000768437986 577273434 /nfs/dbraw/zinc/27/34/34/577273434.db2.gz MQWFCGYCFJPASD-GOSISDBHSA-N 0 3 329.396 2.849 20 10 EFCDHN CCOc1ccc(C[N@@H+](C)Cc2cc3c(cc2[O-])OC[C@H]3O)cc1 ZINC000768437986 577273437 /nfs/dbraw/zinc/27/34/37/577273437.db2.gz MQWFCGYCFJPASD-GOSISDBHSA-N 0 3 329.396 2.849 20 10 EFCDHN C[C@@H](C(=O)NCc1ccc2c(c1)CCCN2C)N1[C@H](C)CC[C@@H]1C ZINC000725893719 577273612 /nfs/dbraw/zinc/27/36/12/577273612.db2.gz SXQCGZRVFUOMFF-XHSDSOJGSA-N 0 3 329.488 2.947 20 10 EFCDHN COc1ccccc1CN(Cc1cc2c(cc1O)OC[C@@H]2O)C1CC1 ZINC000768440134 577273833 /nfs/dbraw/zinc/27/38/33/577273833.db2.gz OIYDFGOBGBSOSY-SFHVURJKSA-N 0 3 341.407 2.991 20 10 EFCDHN COc1ccc([C@@H]2CC[N@H+](Cc3cc4c(cc3[O-])OC[C@H]4O)C2)cc1 ZINC000768444710 577273991 /nfs/dbraw/zinc/27/39/91/577273991.db2.gz NVCZIHITRSMBDF-AUUYWEPGSA-N 0 3 341.407 2.816 20 10 EFCDHN COc1ccc([C@@H]2CC[N@@H+](Cc3cc4c(cc3[O-])OC[C@H]4O)C2)cc1 ZINC000768444710 577273992 /nfs/dbraw/zinc/27/39/92/577273992.db2.gz NVCZIHITRSMBDF-AUUYWEPGSA-N 0 3 341.407 2.816 20 10 EFCDHN [O-]c1cc2c(cc1C[N@@H+]1CCCO[C@H](c3ccccc3)C1)[C@H](O)CO2 ZINC000768453437 577275123 /nfs/dbraw/zinc/27/51/23/577275123.db2.gz XHJQZURMYMBWCM-QUCCMNQESA-N 0 3 341.407 2.782 20 10 EFCDHN [O-]c1cc2c(cc1C[N@H+]1CCCO[C@H](c3ccccc3)C1)[C@H](O)CO2 ZINC000768453437 577275124 /nfs/dbraw/zinc/27/51/24/577275124.db2.gz XHJQZURMYMBWCM-QUCCMNQESA-N 0 3 341.407 2.782 20 10 EFCDHN COc1cccc(CN2CCC([C@@](C)(O)C(F)(F)F)CC2)c1O ZINC000768534108 577281202 /nfs/dbraw/zinc/28/12/02/577281202.db2.gz ZXWKKADNNIBPKA-OAHLLOKOSA-N 0 3 333.350 2.926 20 10 EFCDHN C[C@@H](Cn1cccn1)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000768676547 577294406 /nfs/dbraw/zinc/29/44/06/577294406.db2.gz DQZXUEKDAQRWLC-HRCADAONSA-N 0 3 346.450 2.814 20 10 EFCDHN CCN(CC)c1ccc(CN2CCC[C@@H]2CN2CCOCC2)cc1F ZINC000768938371 577318318 /nfs/dbraw/zinc/31/83/18/577318318.db2.gz YVBNAOLQASTJBF-GOSISDBHSA-N 0 3 349.494 2.969 20 10 EFCDHN C[C@@H]1CN(C[C@@H]2CCCN2Cc2ccc(N(C)C)c(F)c2)C[C@@H](C)O1 ZINC000769108127 577334831 /nfs/dbraw/zinc/33/48/31/577334831.db2.gz LMACCHNPNDYWFH-NUJGCVRESA-N 0 3 349.494 2.965 20 10 EFCDHN CCCC(=O)NC[C@H]1CCC[N@H+](Cc2ccc(OCC)cc2[O-])C1 ZINC000769205158 577344310 /nfs/dbraw/zinc/34/43/10/577344310.db2.gz DPYPMUMTCHVFMZ-OAHLLOKOSA-N 0 3 334.460 2.919 20 10 EFCDHN CCCC(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(OCC)cc2[O-])C1 ZINC000769205158 577344311 /nfs/dbraw/zinc/34/43/11/577344311.db2.gz DPYPMUMTCHVFMZ-OAHLLOKOSA-N 0 3 334.460 2.919 20 10 EFCDHN CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2c([O-])cccc2OC)C1 ZINC000769209853 577344742 /nfs/dbraw/zinc/34/47/42/577344742.db2.gz NOPCZUCWEWWHOY-LSDHHAIUSA-N 0 3 334.460 2.918 20 10 EFCDHN CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2c([O-])cccc2OC)C1 ZINC000769209853 577344743 /nfs/dbraw/zinc/34/47/43/577344743.db2.gz NOPCZUCWEWWHOY-LSDHHAIUSA-N 0 3 334.460 2.918 20 10 EFCDHN Fc1cc(CN2CCC[C@@H](n3ccnc3)C2)ccc1N1CCOCC1 ZINC000769313612 577351213 /nfs/dbraw/zinc/35/12/13/577351213.db2.gz UZWTUOYULAUKNO-QGZVFWFLSA-N 0 3 344.434 2.696 20 10 EFCDHN CCN(CC)c1ccc(CN2CCN([C@@H]3CCC[C@H]3O)CC2)cc1 ZINC000769328484 577352422 /nfs/dbraw/zinc/35/24/22/577352422.db2.gz PUCRXZORVNAIPP-WOJBJXKFSA-N 0 3 331.504 2.564 20 10 EFCDHN CCN(CC)c1ccc(CN2CCN([C@H]3CCC[C@@H]3O)CC2)cc1F ZINC000769330400 577352702 /nfs/dbraw/zinc/35/27/02/577352702.db2.gz WMBUKJAHOWQIBN-PMACEKPBSA-N 0 3 349.494 2.703 20 10 EFCDHN CCOc1ccc(C[N@@H+]2CCC[C@H](N3CCCCC3=O)C2)c([O-])c1 ZINC000769338580 577353241 /nfs/dbraw/zinc/35/32/41/577353241.db2.gz QULTXKYCYNNVLN-INIZCTEOSA-N 0 3 332.444 2.768 20 10 EFCDHN CCOc1ccc(C[N@H+]2CCC[C@H](N3CCCCC3=O)C2)c([O-])c1 ZINC000769338580 577353242 /nfs/dbraw/zinc/35/32/42/577353242.db2.gz QULTXKYCYNNVLN-INIZCTEOSA-N 0 3 332.444 2.768 20 10 EFCDHN COc1cccc([O-])c1C[NH+]1CCC(CN2CCCCC2=O)CC1 ZINC000769454933 577363232 /nfs/dbraw/zinc/36/32/32/577363232.db2.gz AQQLPUABNWKREY-UHFFFAOYSA-N 0 3 332.444 2.625 20 10 EFCDHN CCOc1ccc(C[NH+]2CCC3(CC2)[C@H](OCC)C[C@@H]3O)c([O-])c1 ZINC000769478729 577365724 /nfs/dbraw/zinc/36/57/24/577365724.db2.gz FREZWZFHHGNXKJ-ZWKOTPCHSA-N 0 3 335.444 2.543 20 10 EFCDHN COc1cccc([O-])c1C[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000769542551 577371401 /nfs/dbraw/zinc/37/14/01/577371401.db2.gz KTVUPJMJPQGCTL-MRXNPFEDSA-N 0 3 335.444 2.951 20 10 EFCDHN COc1cc(Br)cc(C[NH2+][C@@H]2CCO[C@@H](C)C2)c1[O-] ZINC000769710553 577380147 /nfs/dbraw/zinc/38/01/47/577380147.db2.gz NAKNHFBUXHCCIC-JOYOIKCWSA-N 0 3 330.222 2.820 20 10 EFCDHN C[C@@H]1CN(c2ccc(CNCC3=CCCOC3)cc2F)C[C@H](C)O1 ZINC000769925706 577393914 /nfs/dbraw/zinc/39/39/14/577393914.db2.gz IIELVSZAWVGTQA-GASCZTMLSA-N 0 3 334.435 2.876 20 10 EFCDHN C[C@H](CCN1CCN(C)CC1)[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000770006613 577397555 /nfs/dbraw/zinc/39/75/55/577397555.db2.gz YZQRXHCPLROPPV-SQWLQELKSA-N 0 3 335.467 2.695 20 10 EFCDHN CCOc1ccc(C[NH2+]C(C)(C)C(=O)NCC2CCCC2)c([O-])c1 ZINC000771200950 581186432 /nfs/dbraw/zinc/18/64/32/581186432.db2.gz FKPLSSYZNKPGOE-UHFFFAOYSA-N 0 3 334.460 2.966 20 10 EFCDHN CCN1CCN(c2cccc(NC(=O)c3ccc4n[nH]cc4c3)c2)CC1 ZINC000771638025 581229309 /nfs/dbraw/zinc/22/93/09/581229309.db2.gz WTHSKNUBBOEHPM-UHFFFAOYSA-N 0 3 349.438 2.957 20 10 EFCDHN CN1CCCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 ZINC000771924203 581260207 /nfs/dbraw/zinc/26/02/07/581260207.db2.gz CQYPTPNDAIHKRL-UHFFFAOYSA-N 0 3 332.448 2.723 20 10 EFCDHN COc1ccc(N2CCC(N[C@@H](CO)CC(F)(F)F)CC2)cc1 ZINC000773106027 581396884 /nfs/dbraw/zinc/39/68/84/581396884.db2.gz JJKPDXAFZXZTAK-CYBMUJFWSA-N 0 3 332.366 2.567 20 10 EFCDHN C[C@@H](NC(=O)NCCN1CCC(C)CC1)c1ccc(N(C)C)cc1 ZINC000773216959 581406440 /nfs/dbraw/zinc/40/64/40/581406440.db2.gz GPICGVQHRHDMPL-MRXNPFEDSA-N 0 3 332.492 2.845 20 10 EFCDHN CCN1CCCC[C@@H]1CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773293833 581415168 /nfs/dbraw/zinc/41/51/68/581415168.db2.gz AFAIBQCAXZTEGO-CRAIPNDOSA-N 0 3 332.492 2.987 20 10 EFCDHN C[C@H](NC(=O)N[C@@H]1CCN(CC2CC2)C1)c1ccc(N(C)C)cc1 ZINC000773314608 581417393 /nfs/dbraw/zinc/41/73/93/581417393.db2.gz KMAYBVYSBGUDQC-WMLDXEAASA-N 0 3 330.476 2.597 20 10 EFCDHN C[C@H](NC(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000773394554 581426384 /nfs/dbraw/zinc/42/63/84/581426384.db2.gz ZXHMKSDOVIOZTA-SUNYJGFJSA-N 0 3 330.476 2.596 20 10 EFCDHN CCN1CCC[C@@H]1CNC(=S)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000774256768 581488182 /nfs/dbraw/zinc/48/81/82/581488182.db2.gz OAALWQAJENIZJA-WMLDXEAASA-N 0 3 334.533 2.762 20 10 EFCDHN Cc1nn(C)c(C)c1NC(=O)[C@@H](C)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000774487322 581492564 /nfs/dbraw/zinc/49/25/64/581492564.db2.gz ZDFOCOFONAJFOO-GXTWGEPZSA-N 0 3 343.475 2.781 20 10 EFCDHN COc1cc(CNCc2ccc(C)n(C)c2=O)c(O)c(C(C)(C)C)c1 ZINC000850280573 1250392751 /nfs/dbraw/zinc/39/27/51/1250392751.db2.gz APEKRAPJBQVPHM-UHFFFAOYSA-N 0 3 344.455 2.995 20 10 EFCDHN COc1cc(CN[C@@H](C)C(=O)N2CCCC2)c(O)c(C(C)(C)C)c1 ZINC000850285683 1250397042 /nfs/dbraw/zinc/39/70/42/1250397042.db2.gz MPOJBMLAALJNMG-ZDUSSCGKSA-N 0 3 334.460 2.799 20 10 EFCDHN COc1cccc([O-])c1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850405797 1250468159 /nfs/dbraw/zinc/46/81/59/1250468159.db2.gz FMDMLZBJJMVHEA-UHFFFAOYSA-N 0 3 342.439 2.652 20 10 EFCDHN COc1ccc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c([O-])c1 ZINC000850406231 1250469760 /nfs/dbraw/zinc/46/97/60/1250469760.db2.gz XZZJNUGYEACETN-UHFFFAOYSA-N 0 3 342.439 2.652 20 10 EFCDHN CC(C)(C)c1n[nH]cc1CNCc1ccc(N2CCC(O)CC2)cc1 ZINC000850406189 1250470332 /nfs/dbraw/zinc/47/03/32/1250470332.db2.gz WHKHLICFZLKPOM-UHFFFAOYSA-N 0 3 342.487 2.958 20 10 EFCDHN Oc1cc2c(cc1CNCc1cccc3c1OC(F)(F)O3)OCO2 ZINC000850412919 1250470999 /nfs/dbraw/zinc/47/09/99/1250470999.db2.gz LMMQYQBSSCFYNN-UHFFFAOYSA-N 0 3 337.278 2.732 20 10 EFCDHN COc1cccc([O-])c1C[NH2+]Cc1ccc(N2CCCNC2=O)cc1 ZINC000850412845 1250471819 /nfs/dbraw/zinc/47/18/19/1250471819.db2.gz BFVNANXMAPQPOT-UHFFFAOYSA-N 0 3 341.411 2.610 20 10 EFCDHN COc1cccc(O)c1CNCc1ccc(N2CCCNC2=O)cc1 ZINC000850412845 1250471825 /nfs/dbraw/zinc/47/18/25/1250471825.db2.gz BFVNANXMAPQPOT-UHFFFAOYSA-N 0 3 341.411 2.610 20 10 EFCDHN c1cc(N2CCOCC2)ncc1CNCc1ccc2c(c1)CCCO2 ZINC000921523956 1256911223 /nfs/dbraw/zinc/91/12/23/1256911223.db2.gz WTFMRKXRCRZFLT-UHFFFAOYSA-N 0 3 339.439 2.533 20 10 EFCDHN CCOc1ccc(C[NH2+]CC(=O)N(CC)c2ccccc2)c([O-])c1 ZINC000922476925 1266112511 /nfs/dbraw/zinc/11/25/11/1266112511.db2.gz OASHWBGBQQDXJM-UHFFFAOYSA-N 0 3 328.412 2.934 20 10 EFCDHN CCOc1ccc(CNCC(=O)N(CC)c2ccccc2)c(O)c1 ZINC000922476925 1266112514 /nfs/dbraw/zinc/11/25/14/1266112514.db2.gz OASHWBGBQQDXJM-UHFFFAOYSA-N 0 3 328.412 2.934 20 10 EFCDHN CCOCc1cc(CNCc2cc(N(C)C)ccn2)ccc1OC ZINC000922479445 1266114069 /nfs/dbraw/zinc/11/40/69/1266114069.db2.gz VQISXDLAPFWITA-UHFFFAOYSA-N 0 3 329.444 2.983 20 10 EFCDHN Cc1ccc(C[N@@H+]2CC[C@]3(CCN(CC(F)(F)F)C3=O)C2)c([O-])c1 ZINC001272764564 1257674587 /nfs/dbraw/zinc/67/45/87/1257674587.db2.gz BBNXFOGDECIXHP-INIZCTEOSA-N 0 3 342.361 2.687 20 10 EFCDHN Cc1ccc(C[N@H+]2CC[C@]3(CCN(CC(F)(F)F)C3=O)C2)c([O-])c1 ZINC001272764564 1257674597 /nfs/dbraw/zinc/67/45/97/1257674597.db2.gz BBNXFOGDECIXHP-INIZCTEOSA-N 0 3 342.361 2.687 20 10 EFCDHN CC(=O)[C@H](C)N1C[C@@]2(CC1=O)CCCCN2Cc1ccc(C)cc1O ZINC001272764927 1257680866 /nfs/dbraw/zinc/68/08/66/1257680866.db2.gz CTXKPVSKCQTXMB-YWZLYKJASA-N 0 3 344.455 2.635 20 10 EFCDHN COCCCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(C)cc1[O-] ZINC001272766318 1257701785 /nfs/dbraw/zinc/70/17/85/1257701785.db2.gz ONOSAHSWHPVUQO-FQEVSTJZSA-N 0 3 346.471 2.694 20 10 EFCDHN COCCCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ccc(C)cc1[O-] ZINC001272766318 1257701787 /nfs/dbraw/zinc/70/17/87/1257701787.db2.gz ONOSAHSWHPVUQO-FQEVSTJZSA-N 0 3 346.471 2.694 20 10 EFCDHN Cc1ccc(C[NH+]2CCC3(C[C@H]3C(=O)NCC(F)F)CC2)c([O-])c1 ZINC001272767315 1257729288 /nfs/dbraw/zinc/72/92/88/1257729288.db2.gz ZUXDMTISPHKPDU-AWEZNQCLSA-N 0 3 338.398 2.684 20 10 EFCDHN CC(C)CN1CC2(CCC1=O)CCN(Cc1ccc(O)c(O)c1)CC2 ZINC001272903109 1261295490 /nfs/dbraw/zinc/29/54/90/1261295490.db2.gz MXTDQSQDGCUIEI-UHFFFAOYSA-N 0 3 346.471 2.958 20 10 EFCDHN Cc1ccc(C)c(CN2CCC[C@@]23CCN(CC(F)F)C3=O)c1O ZINC001273049258 1266802607 /nfs/dbraw/zinc/80/26/07/1266802607.db2.gz RJWPPWNVDXXKLR-SFHVURJKSA-N 0 3 338.398 2.841 20 10 EFCDHN CS(=O)(=O)C1(CNCc2ccc3c(c2)CCCO3)CCCCC1 ZINC000922247977 1265101982 /nfs/dbraw/zinc/10/19/82/1265101982.db2.gz KFYYYADNPIQYDG-UHFFFAOYSA-N 0 3 337.485 2.849 20 10 EFCDHN COc1cccc(CNCc2ccnc(OC3CCOCC3)c2)c1O ZINC000733329917 1265171311 /nfs/dbraw/zinc/17/13/11/1265171311.db2.gz GDNRJZUBFDRVGP-UHFFFAOYSA-N 0 3 344.411 2.643 20 10 EFCDHN COc1cccc(O)c1CNCc1ccnc(OC2CCOCC2)c1 ZINC000733330045 1265171590 /nfs/dbraw/zinc/17/15/90/1265171590.db2.gz HLYRBZWZMJCPJY-UHFFFAOYSA-N 0 3 344.411 2.643 20 10 EFCDHN C[C@@H]1CN(C(=O)C[N@H+](Cc2ccccc2[O-])C2CCCC2)C[C@H](C)O1 ZINC000733613207 1265317113 /nfs/dbraw/zinc/31/71/13/1265317113.db2.gz DMEILGJPYZCLDQ-IYBDPMFKSA-N 0 3 346.471 2.773 20 10 EFCDHN C[C@@H]1CN(C(=O)C[N@@H+](Cc2ccccc2[O-])C2CCCC2)C[C@H](C)O1 ZINC000733613207 1265317125 /nfs/dbraw/zinc/31/71/25/1265317125.db2.gz DMEILGJPYZCLDQ-IYBDPMFKSA-N 0 3 346.471 2.773 20 10 EFCDHN CN1CC[C@]2(CCCN(Cc3ccc4c(c3)CCCN4C)CC2)C1=O ZINC001273321383 1267226841 /nfs/dbraw/zinc/22/68/41/1267226841.db2.gz YFKUVFFHYYBEIM-NRFANRHFSA-N 0 3 341.499 2.903 20 10 EFCDHN CCN(CC)[C@H](CNC(=O)c1cccc(O)c1O)c1ccsc1 ZINC000186928571 1268207876 /nfs/dbraw/zinc/20/78/76/1268207876.db2.gz HPALCKJCRVZYKO-CQSZACIVSA-N 0 3 334.441 2.972 20 10 EFCDHN C[C@@H]([NH2+]Cc1cc(F)ccc1[O-])C(=O)N1c2ccccc2C[C@@H]1C ZINC000825113041 1278414281 /nfs/dbraw/zinc/41/42/81/1278414281.db2.gz YUDQSECCHVLCMM-QWHCGFSZSA-N 0 3 328.387 2.987 20 10 EFCDHN C[C@H](F)CCN1CC[C@H]1CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001085994781 1269450559 /nfs/dbraw/zinc/45/05/59/1269450559.db2.gz UQKOQPHHVOLUMU-WFASDCNBSA-N 0 3 349.410 2.743 20 10 EFCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 ZINC000825289574 1278493774 /nfs/dbraw/zinc/49/37/74/1278493774.db2.gz AGVODKYDEJZSBH-HIFRSBDPSA-N 0 3 348.443 2.842 20 10 EFCDHN COc1cccc([O-])c1C[N@H+]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 ZINC000825289574 1278493778 /nfs/dbraw/zinc/49/37/78/1278493778.db2.gz AGVODKYDEJZSBH-HIFRSBDPSA-N 0 3 348.443 2.842 20 10 EFCDHN COc1cccc(O)c1CN1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 ZINC000825289574 1278493783 /nfs/dbraw/zinc/49/37/83/1278493783.db2.gz AGVODKYDEJZSBH-HIFRSBDPSA-N 0 3 348.443 2.842 20 10 EFCDHN COc1ccc(N2CCN(CCNCc3ccc(Cl)o3)CC2)cc1 ZINC000742700643 1270186623 /nfs/dbraw/zinc/18/66/23/1270186623.db2.gz YWTJINBARDMDHN-UHFFFAOYSA-N 0 3 349.862 2.853 20 10 EFCDHN Cn1cccc1CNC(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000743060997 1270402047 /nfs/dbraw/zinc/40/20/47/1270402047.db2.gz DGCIEBKWKKIMGZ-UHFFFAOYSA-N 0 3 342.512 2.654 20 10 EFCDHN CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cc3ccccc3cc2[O-])CO1 ZINC001169350985 1272840173 /nfs/dbraw/zinc/84/01/73/1272840173.db2.gz WQALDHXFMYYJPR-WMZOPIPTSA-N 0 3 329.396 2.746 20 10 EFCDHN C[C@H](CNCc1c([O-])cccc1Br)C[NH+]1CCCC1 ZINC000706874961 1275065548 /nfs/dbraw/zinc/06/55/48/1275065548.db2.gz DANAYIRZJVPUBD-GFCCVEGCSA-N 0 3 327.266 2.976 20 10 EFCDHN COc1ccc(N(C)CC(=O)NC[C@@H](c2ccccc2)N(C)C)cc1 ZINC000844353166 1278922565 /nfs/dbraw/zinc/92/25/65/1278922565.db2.gz PSSZEGAFICVNDE-IBGZPJMESA-N 0 3 341.455 2.551 20 10 EFCDHN C[C@H]1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)[C@H]1CO ZINC000785984226 1275265962 /nfs/dbraw/zinc/26/59/62/1275265962.db2.gz JYQMQZWEHCYZJT-KSSFIOAISA-N 0 3 333.432 2.788 20 10 EFCDHN COc1ccc(N(C)CCN(C)C[C@H](O)c2ccccc2F)cc1 ZINC000844400069 1278948192 /nfs/dbraw/zinc/94/81/92/1278948192.db2.gz VBGKDPBXONLOFD-IBGZPJMESA-N 0 3 332.419 2.936 20 10 EFCDHN COc1ccc(O)c([C@H](C)NCc2cnc(N3CCOCC3)s2)c1 ZINC000787014165 1275609423 /nfs/dbraw/zinc/60/94/23/1275609423.db2.gz MBOPPLYYILWMHP-LBPRGKRZSA-N 0 3 349.456 2.545 20 10 EFCDHN COC(=O)[C@H]1CC[N@H+](Cc2cc(Br)cc(C)c2[O-])[C@@H]1C ZINC000787420066 1275769644 /nfs/dbraw/zinc/76/96/44/1275769644.db2.gz CTLAYUPMFILMCG-MFKMUULPSA-N 0 3 342.233 2.847 20 10 EFCDHN COC(=O)[C@H]1CC[N@@H+](Cc2cc(Br)cc(C)c2[O-])[C@@H]1C ZINC000787420066 1275769651 /nfs/dbraw/zinc/76/96/51/1275769651.db2.gz CTLAYUPMFILMCG-MFKMUULPSA-N 0 3 342.233 2.847 20 10 EFCDHN COC(=O)[C@H]1CCN(Cc2cc(Br)cc(C)c2O)[C@@H]1C ZINC000787420066 1275769654 /nfs/dbraw/zinc/76/96/54/1275769654.db2.gz CTLAYUPMFILMCG-MFKMUULPSA-N 0 3 342.233 2.847 20 10 EFCDHN O=[N+]([O-])c1cc(CNCCOCC(F)F)ccc1N1CCCCC1 ZINC000788077644 1276029757 /nfs/dbraw/zinc/02/97/57/1276029757.db2.gz PEHQFRLHUDFHGT-UHFFFAOYSA-N 0 3 343.374 2.956 20 10 EFCDHN C[C@@H]1C[C@H](C)N(Cc2cccc(Br)c2[O-])C[C@H]1C[NH3+] ZINC000817865969 1276351120 /nfs/dbraw/zinc/35/11/20/1276351120.db2.gz QFIFCUJNBDUJDO-NTZNESFSSA-N 0 3 327.266 2.960 20 10 EFCDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+]C[C@H]1CNCCO1 ZINC000817983060 1276421396 /nfs/dbraw/zinc/42/13/96/1276421396.db2.gz JTDQRJCTFJUWBA-MJGOQNOKSA-N 0 3 326.440 2.644 20 10 EFCDHN CS(=O)(=O)CCCC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000818225016 1276494639 /nfs/dbraw/zinc/49/46/39/1276494639.db2.gz XCDNRQNEGHEIOC-UHFFFAOYSA-N 0 3 333.453 2.974 20 10 EFCDHN CC[C@@H](NC[C@@H]1CCN(c2ccc(OC)cc2)C1)c1ccn(C)n1 ZINC000818342111 1276510199 /nfs/dbraw/zinc/51/01/99/1276510199.db2.gz LSODHOGOPYJDRM-MAUKXSAKSA-N 0 3 328.460 2.996 20 10 EFCDHN CSc1ccc([C@H](CNC(=O)c2cccc(O)c2O)N(C)C)cc1 ZINC000819334578 1276733082 /nfs/dbraw/zinc/73/30/82/1276733082.db2.gz BILVDVCENSPDEH-HNNXBMFYSA-N 0 3 346.452 2.852 20 10 EFCDHN COc1ccc(N2CCN(C[C@H](O)Cc3ccc(F)cc3)CC2)cc1 ZINC000815010451 1287245092 /nfs/dbraw/zinc/24/50/92/1287245092.db2.gz WYVFWGKSCKBHBQ-LJQANCHMSA-N 0 3 344.430 2.560 20 10 EFCDHN CC(C)(C)c1cc(O)c(O)c(CN2CCC[C@@H](n3ccnn3)C2)c1 ZINC000819896749 1276938563 /nfs/dbraw/zinc/93/85/63/1276938563.db2.gz KPWVWYOYFTWXND-OAHLLOKOSA-N 0 3 330.432 2.824 20 10 EFCDHN CCN(CC)c1ccc(CN(C)[C@H](C)CN2CCOCC2)cc1F ZINC000789763150 1276971200 /nfs/dbraw/zinc/97/12/00/1276971200.db2.gz FOGLAWGYVBQOLI-MRXNPFEDSA-N 0 3 337.483 2.824 20 10 EFCDHN COc1cc(Br)cc(C[N@H+](C)CCCCCO)c1[O-] ZINC000789763456 1276971369 /nfs/dbraw/zinc/97/13/69/1276971369.db2.gz KYXWEKVTEGUKMR-UHFFFAOYSA-N 0 3 332.238 2.758 20 10 EFCDHN COc1cc(Br)cc(C[N@@H+](C)CCCCCO)c1[O-] ZINC000789763456 1276971372 /nfs/dbraw/zinc/97/13/72/1276971372.db2.gz KYXWEKVTEGUKMR-UHFFFAOYSA-N 0 3 332.238 2.758 20 10 EFCDHN CC[C@@H](CNC(=O)c1cccc(O)c1O)N1CCc2ccccc2C1 ZINC000790533751 1277638445 /nfs/dbraw/zinc/63/84/45/1277638445.db2.gz ZINXMIHYGSVZLF-INIZCTEOSA-N 0 3 340.423 2.665 20 10 EFCDHN CCN(C)c1ccc(CN[C@H](C(N)=O)[C@@H](C)c2ccccc2)cc1 ZINC000815121850 1287315280 /nfs/dbraw/zinc/31/52/80/1287315280.db2.gz YVFIPJHTYUPVEP-KXBFYZLASA-N 0 3 325.456 2.890 20 10 EFCDHN [NH3+]C[C@]12CCC[C@H]1CN(Cc1cccc(Br)c1[O-])C2 ZINC000844902530 1279324065 /nfs/dbraw/zinc/32/40/65/1279324065.db2.gz OTOVJJAQCMYFEF-WFASDCNBSA-N 0 3 325.250 2.716 20 10 EFCDHN COc1ccc(CNCc2cc3c(C)nn(C)c3nc2Cl)c(O)c1 ZINC000793386331 1279613828 /nfs/dbraw/zinc/61/38/28/1279613828.db2.gz MEEBNIAABKVJTM-UHFFFAOYSA-N 0 3 346.818 2.934 20 10 EFCDHN COC(=O)[C@@H](C)Oc1ccc(C[NH2+]Cc2ccc(OC)cc2[O-])cc1 ZINC000793389077 1279614478 /nfs/dbraw/zinc/61/44/78/1279614478.db2.gz UZBOKCSRASGULM-CYBMUJFWSA-N 0 3 345.395 2.631 20 10 EFCDHN CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+]Cc2ccc(OC)cc2[O-])C1 ZINC000793388563 1279616699 /nfs/dbraw/zinc/61/66/99/1279616699.db2.gz PSJFSBFGKOJVLD-CHWSQXEVSA-N 0 3 343.370 2.858 20 10 EFCDHN CCN(CC)c1ccc(CN2CCN(C[C@H](C)O)C[C@@H]2C)cc1F ZINC000793591852 1279761767 /nfs/dbraw/zinc/76/17/67/1279761767.db2.gz RVFKNPKDCICQFC-HOTGVXAUSA-N 0 3 337.483 2.559 20 10 EFCDHN COc1cccc([C@@H](C)N[C@H]2CCN(C3CCCCC3)C2=O)c1O ZINC000846152304 1280038606 /nfs/dbraw/zinc/03/86/06/1280038606.db2.gz ABHBGBSVSPMHHE-CJNGLKHVSA-N 0 3 332.444 2.985 20 10 EFCDHN COc1cccc([C@@H](C)N[C@@H](C)C(=O)Nc2cccnc2C)c1O ZINC000846167759 1280045590 /nfs/dbraw/zinc/04/55/90/1280045590.db2.gz DDSGKICEWXHFEH-YPMHNXCESA-N 0 3 329.400 2.782 20 10 EFCDHN COc1cccc([C@@H](C)N[C@H]2CCN(c3ccc(F)cc3)C2=O)c1O ZINC000846171827 1280047299 /nfs/dbraw/zinc/04/72/99/1280047299.db2.gz IBRCALDOMUASIU-WBMJQRKESA-N 0 3 344.386 2.996 20 10 EFCDHN COc1cccc([C@@H](C)N[C@H](C)C(=O)NCc2ccccc2)c1O ZINC000846142562 1280051434 /nfs/dbraw/zinc/05/14/34/1280051434.db2.gz VKRQRRAXYJPCLF-ZIAGYGMSSA-N 0 3 328.412 2.756 20 10 EFCDHN COc1cccc([C@@H](C)N[C@H]2CCN(Cc3ccccc3)C2=O)c1O ZINC000846145385 1280052468 /nfs/dbraw/zinc/05/24/68/1280052468.db2.gz ALDPAFLIVJUUNX-PBHICJAKSA-N 0 3 340.423 2.853 20 10 EFCDHN COc1ccc(N(C)CCN(C)C(=O)C[C@H](N)c2ccccc2)cc1 ZINC000846697296 1280426660 /nfs/dbraw/zinc/42/66/60/1280426660.db2.gz MZYVJEBQBIZYRY-IBGZPJMESA-N 0 3 341.455 2.680 20 10 EFCDHN CN(C)c1ccccc1C[N@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000808235658 1281617221 /nfs/dbraw/zinc/61/72/21/1281617221.db2.gz BAAHTRDZZGHLFI-SFHVURJKSA-N 0 3 328.412 2.516 20 10 EFCDHN CN(C)c1ccccc1C[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000808235658 1281617229 /nfs/dbraw/zinc/61/72/29/1281617229.db2.gz BAAHTRDZZGHLFI-SFHVURJKSA-N 0 3 328.412 2.516 20 10 EFCDHN CC1(C)CN(Cc2cc3c(cc2O)OC[C@H]3O)Cc2ccccc2O1 ZINC000808236637 1281619718 /nfs/dbraw/zinc/61/97/18/1281619718.db2.gz ILCBBVFTWCEBNY-QGZVFWFLSA-N 0 3 341.407 2.991 20 10 EFCDHN CN1CCN(c2ccc(CNCc3noc4c3CCCC4)cc2)CC1 ZINC000808436442 1281710602 /nfs/dbraw/zinc/71/06/02/1281710602.db2.gz XEQRUCOBXCKGSI-UHFFFAOYSA-N 0 3 340.471 2.595 20 10 EFCDHN CCN(CC)c1ccc(CN[C@@H](CCSC)C(=O)N(C)C)cc1 ZINC000808438301 1281711036 /nfs/dbraw/zinc/71/10/36/1281711036.db2.gz BLPLIYQDIMSLAY-KRWDZBQOSA-N 0 3 337.533 2.832 20 10 EFCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H]2CCCS(=O)(=O)C2)c1[O-] ZINC000808719612 1281872820 /nfs/dbraw/zinc/87/28/20/1281872820.db2.gz WSROIBRBUVLDMG-NWDGAFQWSA-N 0 3 331.865 2.829 20 10 EFCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H](C)CN2CCOCC2)c1[O-] ZINC000808697892 1281877271 /nfs/dbraw/zinc/87/72/71/1281877271.db2.gz YGHRJZXVYKUVOE-OCCSQVGLSA-N 0 3 326.868 2.973 20 10 EFCDHN CCC[C@@](C)(CO)[NH2+]Cc1cc(Br)cc(OC)c1[O-] ZINC000124075315 1287557618 /nfs/dbraw/zinc/55/76/18/1287557618.db2.gz RCEOGUCNNJBJPI-AWEZNQCLSA-N 0 3 332.238 2.804 20 10 EFCDHN CCNC(=O)OC[C@@H]1CCCCN1Cc1cc(OCC)ccc1O ZINC000809691180 1282376382 /nfs/dbraw/zinc/37/63/82/1282376382.db2.gz JFCCJIPCJXCJKY-HNNXBMFYSA-N 0 3 336.432 2.892 20 10 EFCDHN COc1ccc(N2CCC(N[C@H](c3nncn3C)C(C)C)CC2)cc1 ZINC000809691615 1282376563 /nfs/dbraw/zinc/37/65/63/1282376563.db2.gz KQSNXXUUXDICQV-SFHVURJKSA-N 0 3 343.475 2.779 20 10 EFCDHN CCCNC(=O)OC[C@@H]1CCCCN1Cc1cc(OC)ccc1O ZINC000809726725 1282408948 /nfs/dbraw/zinc/40/89/48/1282408948.db2.gz URRXYCNQSDUCNZ-HNNXBMFYSA-N 0 3 336.432 2.892 20 10 EFCDHN CCOc1ccc(C[N@@H+]2CCCC[C@@H]2COC(=O)N(C)C)c([O-])c1 ZINC000809709135 1282419659 /nfs/dbraw/zinc/41/96/59/1282419659.db2.gz NIRXZNHZKHVUOD-OAHLLOKOSA-N 0 3 336.432 2.844 20 10 EFCDHN CCOc1ccc(C[N@H+]2CCCC[C@@H]2COC(=O)N(C)C)c([O-])c1 ZINC000809709135 1282419667 /nfs/dbraw/zinc/41/96/67/1282419667.db2.gz NIRXZNHZKHVUOD-OAHLLOKOSA-N 0 3 336.432 2.844 20 10 EFCDHN CCOc1ccc(CN2CCCC[C@@H]2COC(=O)N(C)C)c(O)c1 ZINC000809709135 1282419673 /nfs/dbraw/zinc/41/96/73/1282419673.db2.gz NIRXZNHZKHVUOD-OAHLLOKOSA-N 0 3 336.432 2.844 20 10 EFCDHN COc1ccc(O)c(CN2CCCC[C@H]2COC(=O)NC(C)C)c1 ZINC000809720277 1282425838 /nfs/dbraw/zinc/42/58/38/1282425838.db2.gz CSBFSLHNHKHADP-HNNXBMFYSA-N 0 3 336.432 2.890 20 10 EFCDHN CCN(C)C(=O)OC[C@@H]1CCCCN1Cc1cccc(OC)c1O ZINC000809723205 1282427164 /nfs/dbraw/zinc/42/71/64/1282427164.db2.gz RMUZNHGDLMRKCG-HNNXBMFYSA-N 0 3 336.432 2.844 20 10 EFCDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](CCNC(C)=O)C2)c1[O-] ZINC000809777921 1282478210 /nfs/dbraw/zinc/47/82/10/1282478210.db2.gz IRCUHRUCXXWXCL-ZDUSSCGKSA-N 0 3 340.851 2.792 20 10 EFCDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@@H](CCNC(C)=O)C2)c1[O-] ZINC000809777921 1282478214 /nfs/dbraw/zinc/47/82/14/1282478214.db2.gz IRCUHRUCXXWXCL-ZDUSSCGKSA-N 0 3 340.851 2.792 20 10 EFCDHN CN(C)C[C@@H](O)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815577156 1287608234 /nfs/dbraw/zinc/60/82/34/1287608234.db2.gz IBBBPWTYYMGWTK-HKUYNNGSSA-N 0 3 328.456 2.578 20 10 EFCDHN C[C@@H]1C[C@H]([NH2+]Cc2ccc(CC(N)=O)cc2)c2c1c(F)ccc2[O-] ZINC000810242037 1283094604 /nfs/dbraw/zinc/09/46/04/1283094604.db2.gz JEVXWGKPNXZKHS-ABAIWWIYSA-N 0 3 328.387 2.897 20 10 EFCDHN [O-]c1cc2c(cc1C[NH+]1CCC3(CCSCC3)CC1)[C@H](O)CO2 ZINC000872645981 1287715735 /nfs/dbraw/zinc/71/57/35/1287715735.db2.gz VSAAWCKPPOTDCV-MRXNPFEDSA-N 0 3 335.469 2.927 20 10 EFCDHN COCC[C@@H]1COCCN1Cc1c(O)ccc2ccc(OC)cc21 ZINC000812299956 1285063857 /nfs/dbraw/zinc/06/38/57/1285063857.db2.gz ROXKNNTUQGUJND-OAHLLOKOSA-N 0 3 331.412 2.791 20 10 EFCDHN Cc1ccc(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)c(O)c1O ZINC000813828388 1286130920 /nfs/dbraw/zinc/13/09/20/1286130920.db2.gz RXUFBBGACBDZFN-PBHICJAKSA-N 0 3 340.423 2.799 20 10 EFCDHN COC(=O)[C@]1(c2ccccc2)CC[N@H+](Cc2c([O-])cccc2OC)C1 ZINC000814171363 1286355070 /nfs/dbraw/zinc/35/50/70/1286355070.db2.gz LXJRTQVJYSJSIL-HXUWFJFHSA-N 0 3 341.407 2.718 20 10 EFCDHN COC(=O)[C@]1(c2ccccc2)CC[N@@H+](Cc2c([O-])cccc2OC)C1 ZINC000814171363 1286355078 /nfs/dbraw/zinc/35/50/78/1286355078.db2.gz LXJRTQVJYSJSIL-HXUWFJFHSA-N 0 3 341.407 2.718 20 10 EFCDHN CN(C)c1ccc(CN(C)C2CCS(=O)(=O)CC2)c2ccccc21 ZINC001204240412 1289091718 /nfs/dbraw/zinc/09/17/18/1289091718.db2.gz RQABAXUYXKKPAT-UHFFFAOYSA-N 0 3 346.496 2.915 20 10 EFCDHN Cc1cnccc1Nc1ccc(I)cc1O ZINC001174538959 1287039508 /nfs/dbraw/zinc/03/95/08/1287039508.db2.gz TXOWWZQIOBRHMP-UHFFFAOYSA-N 0 3 326.137 2.866 20 10 EFCDHN CC(C)CN1CCO[C@H](C[NH2+]Cc2ccc3ccccc3c2[O-])C1 ZINC000816528500 1288204911 /nfs/dbraw/zinc/20/49/11/1288204911.db2.gz FTZOPOIFQWOBNL-GOSISDBHSA-N 0 3 328.456 2.992 20 10 EFCDHN COc1cccc([O-])c1C[NH+]1CCC(CO)(c2ccccc2)CC1 ZINC000816624730 1288215462 /nfs/dbraw/zinc/21/54/62/1288215462.db2.gz FXEDXSINXHYJLM-UHFFFAOYSA-N 0 3 327.424 2.927 20 10 EFCDHN CS(=O)(=O)[C@@H]1CCC[N@H+](Cc2ccc3ccccc3c2[O-])CC1 ZINC000816600214 1288220740 /nfs/dbraw/zinc/22/07/40/1288220740.db2.gz OZXGYVJWLQVIDW-MRXNPFEDSA-N 0 3 333.453 2.945 20 10 EFCDHN CS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2ccc3ccccc3c2[O-])CC1 ZINC000816600214 1288220742 /nfs/dbraw/zinc/22/07/42/1288220742.db2.gz OZXGYVJWLQVIDW-MRXNPFEDSA-N 0 3 333.453 2.945 20 10 EFCDHN CC(=O)N[C@H]1CCN(Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000817414694 1288593148 /nfs/dbraw/zinc/59/31/48/1288593148.db2.gz IPDZCMNBOQCLQT-SFHVURJKSA-N 0 3 340.423 2.682 20 10 EFCDHN CC(=O)N[C@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000817414694 1288593152 /nfs/dbraw/zinc/59/31/52/1288593152.db2.gz IPDZCMNBOQCLQT-SFHVURJKSA-N 0 3 340.423 2.682 20 10 EFCDHN CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000817414694 1288593154 /nfs/dbraw/zinc/59/31/54/1288593154.db2.gz IPDZCMNBOQCLQT-SFHVURJKSA-N 0 3 340.423 2.682 20 10 EFCDHN CC(=O)N[C@@H]1CCN(Cc2ccc3c(c2)CCN3Cc2ccccc2)C1 ZINC000817415565 1288593238 /nfs/dbraw/zinc/59/32/38/1288593238.db2.gz VAAHJCUDPKYGAW-OAQYLSRUSA-N 0 3 349.478 2.960 20 10 EFCDHN C[N@H+](CCCN1C(=O)c2ccccc2C1=O)Cc1cc(F)ccc1[O-] ZINC000822526419 1289008813 /nfs/dbraw/zinc/00/88/13/1289008813.db2.gz UIFJZGSEUZJQRU-UHFFFAOYSA-N 0 3 342.370 2.649 20 10 EFCDHN C[N@@H+](CCCN1C(=O)c2ccccc2C1=O)Cc1cc(F)ccc1[O-] ZINC000822526419 1289008817 /nfs/dbraw/zinc/00/88/17/1289008817.db2.gz UIFJZGSEUZJQRU-UHFFFAOYSA-N 0 3 342.370 2.649 20 10 EFCDHN C[C@@H]1C[C@@H](NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)c2nccn21 ZINC000903447867 1312693694 /nfs/dbraw/zinc/69/36/94/1312693694.db2.gz DPFRXDUYPJYSRS-OLMNPRSZSA-N 0 3 327.476 2.847 20 10 EFCDHN CC(C)n1cc([C@H](C)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)nn1 ZINC000903447921 1312693721 /nfs/dbraw/zinc/69/37/21/1312693721.db2.gz GBRPBTPPZJQVOX-HNAYVOBHSA-N 0 3 344.507 2.879 20 10 EFCDHN CCN(CCCC(=O)OC)Cc1c2ccccc2n(C)c1C(=O)OC ZINC001232402262 1312694192 /nfs/dbraw/zinc/69/41/92/1312694192.db2.gz JWTKHQMSUUHKFD-UHFFFAOYSA-N 0 3 346.427 2.740 20 10 EFCDHN COC(=O)c1c(CN2CCN(C3CCC3)CC2)c2ccccc2n1C ZINC001232402917 1312694650 /nfs/dbraw/zinc/69/46/50/1312694650.db2.gz SAGYKPHZYIHXSS-UHFFFAOYSA-N 0 3 341.455 2.635 20 10 EFCDHN COC(=O)c1c(CN2CC[C@H](OC)C[C@@H]2C)c2ccccc2n1C ZINC001232409586 1312696349 /nfs/dbraw/zinc/69/63/49/1312696349.db2.gz FTVMZFSXSQYVCU-KBPBESRZSA-N 0 3 330.428 2.964 20 10 EFCDHN COc1ccc(CNCc2ccccc2CO)cc1Cn1cccn1 ZINC000873022055 1289526061 /nfs/dbraw/zinc/52/60/61/1289526061.db2.gz SEKPBDKEBYVUBC-UHFFFAOYSA-N 0 3 337.423 2.722 20 10 EFCDHN COc1cc(CN2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)c(O)c(C(C)(C)C)c1 ZINC000825658718 1289602770 /nfs/dbraw/zinc/60/27/70/1289602770.db2.gz SGOUNMDZSCJTDN-MJEQTWJJSA-N 0 3 346.471 2.784 20 10 EFCDHN COc1cc(Br)cc(C[NH2+]CC[C@@H](C)CCO)c1[O-] ZINC000824514711 1289678939 /nfs/dbraw/zinc/67/89/39/1289678939.db2.gz BQBTWQYQAHPFAG-SNVBAGLBSA-N 0 3 332.238 2.662 20 10 EFCDHN CN(C)C(=O)O[C@H]1CCN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC000824571130 1289702911 /nfs/dbraw/zinc/70/29/11/1289702911.db2.gz KAZHCLBTYIDNAE-SFHVURJKSA-N 0 3 331.460 2.949 20 10 EFCDHN Cc1cc(Br)cc(CN2CCN(C(C)C)CC2)c1O ZINC000124527027 1289840236 /nfs/dbraw/zinc/84/02/36/1289840236.db2.gz XUEXDQXNLXMZMA-UHFFFAOYSA-N 0 3 327.266 2.989 20 10 EFCDHN CCNC(=O)OC1CCN(Cc2ccc(N3CCCC3)cc2)CC1 ZINC001204328586 1290133532 /nfs/dbraw/zinc/13/35/32/1290133532.db2.gz KAWMPVMJQMSXOZ-UHFFFAOYSA-N 0 3 331.460 2.997 20 10 EFCDHN CN(C)c1ccc(CN2CCN(C)C[C@@H]2c2ccccc2)c(O)c1 ZINC001232834808 1312790879 /nfs/dbraw/zinc/79/08/79/1312790879.db2.gz NIFZNXDYFHUMJM-LJQANCHMSA-N 0 3 325.456 2.947 20 10 EFCDHN CN(C)c1ccc(CN2CCN(c3ccc(F)cc3)CC2)c(O)c1 ZINC001232835100 1312791155 /nfs/dbraw/zinc/79/11/55/1312791155.db2.gz VVLARRIAWUKDMU-UHFFFAOYSA-N 0 3 329.419 2.920 20 10 EFCDHN COC(=O)c1ccc2c(c1)CCN(Cc1ccc(N(C)C)cc1O)C2 ZINC001232836366 1312791493 /nfs/dbraw/zinc/79/14/93/1312791493.db2.gz OHMJEVCOBNGNMM-UHFFFAOYSA-N 0 3 340.423 2.803 20 10 EFCDHN CN(C)c1ccc(CN2CCN(Cc3ccccc3)CC2)c(O)c1 ZINC001232836780 1312791902 /nfs/dbraw/zinc/79/19/02/1312791902.db2.gz TYTYLYLDPNJPPV-UHFFFAOYSA-N 0 3 325.456 2.776 20 10 EFCDHN COC(=O)c1csc(CNCc2ccc(N3CCOCC3)cc2)c1 ZINC000876963700 1291087791 /nfs/dbraw/zinc/08/77/91/1291087791.db2.gz IIJWIJKPEMQEMT-UHFFFAOYSA-N 0 3 346.452 2.661 20 10 EFCDHN CCc1cc(N2CCC[C@H]([NH2+]Cc3c(C)cccc3[O-])C2)ncn1 ZINC000877009807 1291106826 /nfs/dbraw/zinc/10/68/26/1291106826.db2.gz AVJIVWWKKFHRCU-INIZCTEOSA-N 0 3 326.444 2.812 20 10 EFCDHN Cc1cccc([O-])c1C[NH2+]C[C@@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000877050038 1291117227 /nfs/dbraw/zinc/11/72/27/1291117227.db2.gz XWDMZRJGROKOBY-MRXNPFEDSA-N 0 3 349.814 2.948 20 10 EFCDHN Cc1ccc(C[NH2+]CCNc2nccc(C(F)(F)F)n2)c([O-])c1 ZINC000877054753 1291119628 /nfs/dbraw/zinc/11/96/28/1291119628.db2.gz KSXMXZQPUSOEPO-UHFFFAOYSA-N 0 3 326.322 2.711 20 10 EFCDHN CCOC(=O)COc1ccc(CC[NH2+]Cc2ccc(C)cc2[O-])cc1 ZINC000877065756 1291123414 /nfs/dbraw/zinc/12/34/14/1291123414.db2.gz VHHLAHSGNIWUEC-UHFFFAOYSA-N 0 3 343.423 2.975 20 10 EFCDHN CN(C)c1ccc(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000093534199 1291166022 /nfs/dbraw/zinc/16/60/22/1291166022.db2.gz SBXQWSFEHFJRFL-HNNXBMFYSA-N 0 3 341.415 2.742 20 10 EFCDHN Cc1cccc([O-])c1C[NH2+]C[C@@H](Cc1ccccc1Cl)C(N)=O ZINC000877322139 1291192002 /nfs/dbraw/zinc/19/20/02/1291192002.db2.gz WZAOKUKCPVSFOC-CQSZACIVSA-N 0 3 332.831 2.788 20 10 EFCDHN COC(=O)[C@]1(C(F)(F)F)CCN(Cc2cc(C)cc(OC)c2O)C1 ZINC000795690625 1291204913 /nfs/dbraw/zinc/20/49/13/1291204913.db2.gz VXBGXVFEMJJWCO-HNNXBMFYSA-N 0 3 347.333 2.637 20 10 EFCDHN Cc1cc(Br)cc(C[NH2+][C@H](C)[C@@H](O)C(F)(F)F)c1[O-] ZINC000877693868 1291333169 /nfs/dbraw/zinc/33/31/69/1291333169.db2.gz SVPMRYHUYSETSG-RDDDGLTNSA-N 0 3 342.155 2.864 20 10 EFCDHN COc1ccc(N2CCN(Cc3ccccc3O)CC2)c(OC)c1 ZINC000877708339 1291337613 /nfs/dbraw/zinc/33/76/13/1291337613.db2.gz IXZJWULESWJOBT-UHFFFAOYSA-N 0 3 328.412 2.732 20 10 EFCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@@H](CO)Cc1cc(F)c(F)c(F)c1 ZINC000775166823 1291388308 /nfs/dbraw/zinc/38/83/08/1291388308.db2.gz AXQHXWMHMSHVDP-NSHDSACASA-N 0 3 343.320 2.889 20 10 EFCDHN COC(=O)C[C@H]1CCN(Cc2cc(Br)cc(C)c2O)C1 ZINC001233111712 1312856820 /nfs/dbraw/zinc/85/68/20/1312856820.db2.gz UTIYWNOMZSJKCR-LLVKDONJSA-N 0 3 342.233 2.848 20 10 EFCDHN CCCN(C(=O)NCc1ccc2c(c1)CCCN2C)[C@H]1CCN(C)C1 ZINC000826020990 1291481972 /nfs/dbraw/zinc/48/19/72/1291481972.db2.gz ZRRQVEHYTSJOOE-SFHVURJKSA-N 0 3 344.503 2.695 20 10 EFCDHN CC[NH+](CC)CCN(C)Cc1cc(Br)c(OC)cc1[O-] ZINC001233134647 1312863312 /nfs/dbraw/zinc/86/33/12/1312863312.db2.gz AGWUYTDZWIUAFH-UHFFFAOYSA-N 0 3 345.281 2.937 20 10 EFCDHN C[N@@H+]1CC[C@]2(CCN(Cc3ccc(Br)cc3[O-])C2)C1 ZINC000691680838 1291680228 /nfs/dbraw/zinc/68/02/28/1291680228.db2.gz VRRAQDPHBYGRNM-HNNXBMFYSA-N 0 3 325.250 2.682 20 10 EFCDHN C[N@H+]1CC[C@]2(CCN(Cc3ccc(Br)cc3[O-])C2)C1 ZINC000691680838 1291680231 /nfs/dbraw/zinc/68/02/31/1291680231.db2.gz VRRAQDPHBYGRNM-HNNXBMFYSA-N 0 3 325.250 2.682 20 10 EFCDHN CCOC(=O)c1c(CN2CCC[C@H]2COC)c2ccccc2n1C ZINC001233270265 1312889903 /nfs/dbraw/zinc/88/99/03/1312889903.db2.gz HGFQZXRYKILQTD-AWEZNQCLSA-N 0 3 330.428 2.966 20 10 EFCDHN CCOC(=O)c1c(CN(C)CC2(C)COC2)c2ccccc2n1C ZINC001233272690 1312890852 /nfs/dbraw/zinc/89/08/52/1312890852.db2.gz WHFJOGJBYXRZPU-UHFFFAOYSA-N 0 3 330.428 2.823 20 10 EFCDHN CCOC(=O)c1c(CN2CC(N3CCCC3)C2)c2ccccc2n1C ZINC001233272691 1312891165 /nfs/dbraw/zinc/89/11/65/1312891165.db2.gz WJBKTFANOMDRMC-UHFFFAOYSA-N 0 3 341.455 2.635 20 10 EFCDHN COC(=O)[C@@H]1CCCN(Cc2cc(Cl)cc(OC)c2O)CC1 ZINC001233290903 1312895975 /nfs/dbraw/zinc/89/59/75/1312895975.db2.gz CHZLGLCNDXMXHK-LLVKDONJSA-N 0 3 327.808 2.829 20 10 EFCDHN COC(=O)[C@H]1CCCN(Cc2cc(Cl)cc(OC)c2O)[C@H]1C ZINC001233290296 1312896001 /nfs/dbraw/zinc/89/60/01/1312896001.db2.gz VIFWZWKDABJZMM-GWCFXTLKSA-N 0 3 327.808 2.828 20 10 EFCDHN COC(=O)[C@H]1CCC[N@H+](Cc2cc(Cl)cc(OC)c2[O-])[C@H]1C ZINC001233290296 1312896004 /nfs/dbraw/zinc/89/60/04/1312896004.db2.gz VIFWZWKDABJZMM-GWCFXTLKSA-N 0 3 327.808 2.828 20 10 EFCDHN COC(=O)[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(OC)c2[O-])[C@H]1C ZINC001233290296 1312896005 /nfs/dbraw/zinc/89/60/05/1312896005.db2.gz VIFWZWKDABJZMM-GWCFXTLKSA-N 0 3 327.808 2.828 20 10 EFCDHN COc1cc(Cl)cc(C[NH+]2CCC3(CCC(=O)O3)CC2)c1[O-] ZINC001233289947 1312896504 /nfs/dbraw/zinc/89/65/04/1312896504.db2.gz ZCMUQXYJAJFRPJ-UHFFFAOYSA-N 0 3 325.792 2.726 20 10 EFCDHN COc1cc(Cl)cc(CN2CCC3(CCC(=O)O3)CC2)c1O ZINC001233289947 1312896507 /nfs/dbraw/zinc/89/65/07/1312896507.db2.gz ZCMUQXYJAJFRPJ-UHFFFAOYSA-N 0 3 325.792 2.726 20 10 EFCDHN COc1cc(Cl)cc(C[N@H+](C)[C@H]2CCC3(C2)OCCO3)c1[O-] ZINC001233290821 1312896642 /nfs/dbraw/zinc/89/66/42/1312896642.db2.gz YBZVZPUOFMEBHB-ZDUSSCGKSA-N 0 3 327.808 2.782 20 10 EFCDHN COc1cc(Cl)cc(C[N@@H+](C)[C@H]2CCC3(C2)OCCO3)c1[O-] ZINC001233290821 1312896646 /nfs/dbraw/zinc/89/66/46/1312896646.db2.gz YBZVZPUOFMEBHB-ZDUSSCGKSA-N 0 3 327.808 2.782 20 10 EFCDHN [O-]c1ccc(F)c(F)c1C[N@@H+]1CC[C@H]2[C@H]1CCN2Cc1cccnc1 ZINC001233332890 1312905427 /nfs/dbraw/zinc/90/54/27/1312905427.db2.gz BACWOXXSBHRPNA-DLBZAZTESA-N 0 3 345.393 2.914 20 10 EFCDHN [O-]c1ccc(F)c(F)c1C[N@H+]1CC[C@H]2[C@H]1CCN2Cc1cccnc1 ZINC001233332890 1312905430 /nfs/dbraw/zinc/90/54/30/1312905430.db2.gz BACWOXXSBHRPNA-DLBZAZTESA-N 0 3 345.393 2.914 20 10 EFCDHN [O-]c1ccc(F)c(F)c1C[NH+]1C[C@H]2CN(Cc3ccccn3)C[C@@H]2C1 ZINC001233333281 1312906488 /nfs/dbraw/zinc/90/64/88/1312906488.db2.gz QJOQKAVPNFTCQK-ZIAGYGMSSA-N 0 3 345.393 2.629 20 10 EFCDHN [O-]c1ccc(F)c(F)c1CN1C[C@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001233333281 1312906492 /nfs/dbraw/zinc/90/64/92/1312906492.db2.gz QJOQKAVPNFTCQK-ZIAGYGMSSA-N 0 3 345.393 2.629 20 10 EFCDHN CCOC(=O)c1ccsc1NC(=O)CN[C@H](C)c1ccccc1O ZINC000879647816 1292217134 /nfs/dbraw/zinc/21/71/34/1292217134.db2.gz MJKWMDAFRYBJQG-LLVKDONJSA-N 0 3 348.424 2.920 20 10 EFCDHN CCOC(=O)c1ccsc1NC(=O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000879647816 1292217148 /nfs/dbraw/zinc/21/71/48/1292217148.db2.gz MJKWMDAFRYBJQG-LLVKDONJSA-N 0 3 348.424 2.920 20 10 EFCDHN CCOC(=O)c1ccc(NC(=O)C[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000879648605 1292218146 /nfs/dbraw/zinc/21/81/46/1292218146.db2.gz VVXJFDQVISJPPF-CYBMUJFWSA-N 0 3 342.395 2.858 20 10 EFCDHN COc1cccc(COC[C@H](O)C[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000879648978 1292218647 /nfs/dbraw/zinc/21/86/47/1292218647.db2.gz IIQZGEKIVKCKRR-GDBMZVCRSA-N 0 3 331.412 2.629 20 10 EFCDHN C[C@@H]([NH2+]CC(=O)NCCO[C@H]1CCCC[C@H]1C)c1ccccc1[O-] ZINC000879648224 1292218684 /nfs/dbraw/zinc/21/86/84/1292218684.db2.gz FKRQIHGIXHAVRN-RKVPGOIHSA-N 0 3 334.460 2.754 20 10 EFCDHN COc1ccc(CN(C)C(=O)C[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000879650031 1292219472 /nfs/dbraw/zinc/21/94/72/1292219472.db2.gz YHPXNUQNLVIDCE-CQSZACIVSA-N 0 3 328.412 2.710 20 10 EFCDHN COc1cccc(CNC(=O)[C@H](C)[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000879649825 1292219487 /nfs/dbraw/zinc/21/94/87/1292219487.db2.gz VWHOSZZWXKRTLD-KGLIPLIRSA-N 0 3 328.412 2.756 20 10 EFCDHN COc1ccccc1CN(C)C(=O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000879650014 1292219540 /nfs/dbraw/zinc/21/95/40/1292219540.db2.gz XNMAJAWGZKKLLD-CQSZACIVSA-N 0 3 328.412 2.710 20 10 EFCDHN CC[C@H]([NH2+]Cc1cccc(S(=O)(=O)N(C)C)c1)c1ccccc1[O-] ZINC000775415794 1292337737 /nfs/dbraw/zinc/33/77/37/1292337737.db2.gz QIKMCTFKUCLPJC-KRWDZBQOSA-N 0 3 348.468 2.883 20 10 EFCDHN CCCNC(=O)CNCc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796255499 1292610341 /nfs/dbraw/zinc/61/03/41/1292610341.db2.gz DPVDBMFPNMSGTI-UHFFFAOYSA-N 0 3 337.467 2.865 20 10 EFCDHN Oc1cc(O)c(CN2CCC(Sc3ccncc3)CC2)cc1O ZINC001233485582 1312940296 /nfs/dbraw/zinc/94/02/96/1312940296.db2.gz BUSXAFPLYYLPOB-UHFFFAOYSA-N 0 3 332.425 2.955 20 10 EFCDHN Oc1cc(O)c(CN2CCCN(Cc3ccc(F)cc3)CC2)cc1O ZINC001233485791 1312940315 /nfs/dbraw/zinc/94/03/15/1312940315.db2.gz KRNUCKIQNJHGTP-UHFFFAOYSA-N 0 3 346.402 2.650 20 10 EFCDHN CC[C@H]([NH2+]CCNS(=O)(=O)Cc1ccccc1)c1ccccc1[O-] ZINC000775490816 1292702400 /nfs/dbraw/zinc/70/24/00/1292702400.db2.gz DOKMJYWSGCFSNI-KRWDZBQOSA-N 0 3 348.468 2.553 20 10 EFCDHN CC(C)C(=O)N[C@@H]1COCCC12CC[NH+](Cc1ccccc1[O-])CC2 ZINC001203552350 1312954133 /nfs/dbraw/zinc/95/41/33/1312954133.db2.gz KVUWTKZJGFUBPB-GOSISDBHSA-N 0 3 346.471 2.536 20 10 EFCDHN O=C1[C@@H]2C[N@H+](Cc3ccccc3[O-])C[C@@H]2CN1Cc1cccc(F)c1 ZINC001203551818 1312954465 /nfs/dbraw/zinc/95/44/65/1312954465.db2.gz PBPWWKJDVRYMIS-SJLPKXTDSA-N 0 3 340.398 2.622 20 10 EFCDHN O=C1[C@@H]2C[N@@H+](Cc3ccccc3[O-])C[C@@H]2CN1Cc1cccc(F)c1 ZINC001203551818 1312954469 /nfs/dbraw/zinc/95/44/69/1312954469.db2.gz PBPWWKJDVRYMIS-SJLPKXTDSA-N 0 3 340.398 2.622 20 10 EFCDHN Oc1ccccc1CN1Cc2cncn2C[C@H](COCC2CC2)C1 ZINC001203551352 1312954504 /nfs/dbraw/zinc/95/45/04/1312954504.db2.gz DQHLYICIBHGULL-MRXNPFEDSA-N 0 3 327.428 2.647 20 10 EFCDHN [O-]c1ccccc1C[N@@H+]1CCc2ncnc(-c3ccncc3)c2CC1 ZINC001203556352 1312955819 /nfs/dbraw/zinc/95/58/19/1312955819.db2.gz NKMLNNLLDKPQNK-UHFFFAOYSA-N 0 3 332.407 2.845 20 10 EFCDHN [O-]c1ccccc1C[N@H+]1CCc2ncnc(-c3ccncc3)c2CC1 ZINC001203556352 1312955822 /nfs/dbraw/zinc/95/58/22/1312955822.db2.gz NKMLNNLLDKPQNK-UHFFFAOYSA-N 0 3 332.407 2.845 20 10 EFCDHN COC(=O)[C@H]1C[N@H+](Cc2ccccc2[O-])C[C@@H]1c1ccc(F)cc1 ZINC001203560903 1312956001 /nfs/dbraw/zinc/95/60/01/1312956001.db2.gz KENPQRSINUBNJW-SJORKVTESA-N 0 3 329.371 2.920 20 10 EFCDHN COC(=O)[C@H]1C[N@@H+](Cc2ccccc2[O-])C[C@@H]1c1ccc(F)cc1 ZINC001203560903 1312956005 /nfs/dbraw/zinc/95/60/05/1312956005.db2.gz KENPQRSINUBNJW-SJORKVTESA-N 0 3 329.371 2.920 20 10 EFCDHN NC(=O)c1ccc(O[C@H]2CCC[N@H+](Cc3ccccc3[O-])C2)cc1 ZINC001203563076 1312957285 /nfs/dbraw/zinc/95/72/85/1312957285.db2.gz UWUWSMBOHWASTQ-KRWDZBQOSA-N 0 3 326.396 2.535 20 10 EFCDHN NC(=O)c1ccc(O[C@H]2CCC[N@@H+](Cc3ccccc3[O-])C2)cc1 ZINC001203563076 1312957289 /nfs/dbraw/zinc/95/72/89/1312957289.db2.gz UWUWSMBOHWASTQ-KRWDZBQOSA-N 0 3 326.396 2.535 20 10 EFCDHN NC(=O)c1ccc(O[C@@H]2CCC[N@H+](Cc3ccccc3[O-])C2)cc1 ZINC001203563079 1312957344 /nfs/dbraw/zinc/95/73/44/1312957344.db2.gz UWUWSMBOHWASTQ-QGZVFWFLSA-N 0 3 326.396 2.535 20 10 EFCDHN NC(=O)c1ccc(O[C@@H]2CCC[N@@H+](Cc3ccccc3[O-])C2)cc1 ZINC001203563079 1312957346 /nfs/dbraw/zinc/95/73/46/1312957346.db2.gz UWUWSMBOHWASTQ-QGZVFWFLSA-N 0 3 326.396 2.535 20 10 EFCDHN COc1cccc(CN2C[C@@H](NC(=O)OC(C)(C)C)C[C@H]2C)c1O ZINC001203601675 1312967294 /nfs/dbraw/zinc/96/72/94/1312967294.db2.gz GRDJBKNGIMEUQH-OCCSQVGLSA-N 0 3 336.432 2.888 20 10 EFCDHN CCOc1cccc(CN2C[C@H]3[C@H](CN3C(=O)OC(C)(C)C)C2)c1O ZINC001203615716 1312972052 /nfs/dbraw/zinc/97/20/52/1312972052.db2.gz YUEYXNVTUFSWKL-GJZGRUSLSA-N 0 3 348.443 2.842 20 10 EFCDHN CCOc1cccc(CN2CC[C@@H](Oc3ncccc3OC)C2)c1O ZINC001203616940 1312972702 /nfs/dbraw/zinc/97/27/02/1312972702.db2.gz BGVMZDHOLREZEX-OAHLLOKOSA-N 0 3 344.411 2.848 20 10 EFCDHN COc1ccc(CN2C[C@H]3CN(C(=O)OC(C)(C)C)CC[C@H]32)c(O)c1 ZINC001203621877 1312972949 /nfs/dbraw/zinc/97/29/49/1312972949.db2.gz JGLLKJZTFMYQCB-GDBMZVCRSA-N 0 3 348.443 2.842 20 10 EFCDHN COc1ccc(C[N@@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)CC[C@H]32)c([O-])c1 ZINC001203621877 1312972953 /nfs/dbraw/zinc/97/29/53/1312972953.db2.gz JGLLKJZTFMYQCB-GDBMZVCRSA-N 0 3 348.443 2.842 20 10 EFCDHN COc1ccc(C[N@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)CC[C@H]32)c([O-])c1 ZINC001203621877 1312972957 /nfs/dbraw/zinc/97/29/57/1312972957.db2.gz JGLLKJZTFMYQCB-GDBMZVCRSA-N 0 3 348.443 2.842 20 10 EFCDHN COc1ccc(CC[N@@H+](Cc2ccc(OC)cc2[O-])C[C@@H](C)O)cc1 ZINC001203621285 1312973584 /nfs/dbraw/zinc/97/35/84/1312973584.db2.gz RHENOMAHDKJYOZ-OAHLLOKOSA-N 0 3 345.439 2.835 20 10 EFCDHN COc1ccc(CC[N@H+](Cc2ccc(OC)cc2[O-])C[C@@H](C)O)cc1 ZINC001203621285 1312973588 /nfs/dbraw/zinc/97/35/88/1312973588.db2.gz RHENOMAHDKJYOZ-OAHLLOKOSA-N 0 3 345.439 2.835 20 10 EFCDHN COc1ccc(C[NH+]2CCC3(C[C@@H](OCC4CC4)CO3)CC2)c([O-])c1 ZINC001203623241 1312973828 /nfs/dbraw/zinc/97/38/28/1312973828.db2.gz NQMDTHFPEXQGJO-GOSISDBHSA-N 0 3 347.455 2.951 20 10 EFCDHN COc1ccc(C[N@@H+]2CCC[C@@]3(CCN(CC4CC4)C3=O)C2)c([O-])c1 ZINC001203623431 1312974171 /nfs/dbraw/zinc/97/41/71/1312974171.db2.gz QJZKZZIJNWLANA-HXUWFJFHSA-N 0 3 344.455 2.625 20 10 EFCDHN COc1ccc(C[N@H+]2CCC[C@@]3(CCN(CC4CC4)C3=O)C2)c([O-])c1 ZINC001203623431 1312974174 /nfs/dbraw/zinc/97/41/74/1312974174.db2.gz QJZKZZIJNWLANA-HXUWFJFHSA-N 0 3 344.455 2.625 20 10 EFCDHN COC(=O)CC[N@H+](Cc1ccccc1)Cc1ccc(OC)cc1[O-] ZINC001203628874 1312975314 /nfs/dbraw/zinc/97/53/14/1312975314.db2.gz HSRSVSPMRSLWFY-UHFFFAOYSA-N 0 3 329.396 2.966 20 10 EFCDHN COC(=O)CC[N@@H+](Cc1ccccc1)Cc1ccc(OC)cc1[O-] ZINC001203628874 1312975317 /nfs/dbraw/zinc/97/53/17/1312975317.db2.gz HSRSVSPMRSLWFY-UHFFFAOYSA-N 0 3 329.396 2.966 20 10 EFCDHN COc1ccc(C[N@@H+]2CCC[C@H](C(=O)N3CCCCC3)C2)c([O-])c1 ZINC001203628845 1312975783 /nfs/dbraw/zinc/97/57/83/1312975783.db2.gz HGSOGVWONDYJKC-INIZCTEOSA-N 0 3 332.444 2.625 20 10 EFCDHN COc1ccc(C[N@H+]2CCC[C@H](C(=O)N3CCCCC3)C2)c([O-])c1 ZINC001203628845 1312975787 /nfs/dbraw/zinc/97/57/87/1312975787.db2.gz HGSOGVWONDYJKC-INIZCTEOSA-N 0 3 332.444 2.625 20 10 EFCDHN COc1ccc(C[N@@H+]2CCC[C@@H](Oc3ncc(C)cn3)C2)c([O-])c1 ZINC001203635443 1312977359 /nfs/dbraw/zinc/97/73/59/1312977359.db2.gz VCHPUJIIFUHNAA-MRXNPFEDSA-N 0 3 329.400 2.543 20 10 EFCDHN COc1ccc(C[N@H+]2CCC[C@@H](Oc3ncc(C)cn3)C2)c([O-])c1 ZINC001203635443 1312977363 /nfs/dbraw/zinc/97/73/63/1312977363.db2.gz VCHPUJIIFUHNAA-MRXNPFEDSA-N 0 3 329.400 2.543 20 10 EFCDHN COc1ccc(C[N@@H+]2CCC[C@H](Oc3cccc(OC)n3)C2)c([O-])c1 ZINC001203635147 1312977543 /nfs/dbraw/zinc/97/75/43/1312977543.db2.gz LKWBJZKPRVMAPV-INIZCTEOSA-N 0 3 344.411 2.848 20 10 EFCDHN COc1ccc(C[N@H+]2CCC[C@H](Oc3cccc(OC)n3)C2)c([O-])c1 ZINC001203635147 1312977544 /nfs/dbraw/zinc/97/75/44/1312977544.db2.gz LKWBJZKPRVMAPV-INIZCTEOSA-N 0 3 344.411 2.848 20 10 EFCDHN COc1ccc(C[N@@H+]2CCC[C@H](Oc3cc(C)ncn3)C2)c([O-])c1 ZINC001203634997 1312977621 /nfs/dbraw/zinc/97/76/21/1312977621.db2.gz FOTGBSBSIJIJNH-INIZCTEOSA-N 0 3 329.400 2.543 20 10 EFCDHN COc1ccc(C[N@H+]2CCC[C@H](Oc3cc(C)ncn3)C2)c([O-])c1 ZINC001203634997 1312977628 /nfs/dbraw/zinc/97/76/28/1312977628.db2.gz FOTGBSBSIJIJNH-INIZCTEOSA-N 0 3 329.400 2.543 20 10 EFCDHN COc1ccc(C[NH+]2CCC3(CCN(CC4CC4)C3=O)CC2)c([O-])c1 ZINC001203634894 1312977695 /nfs/dbraw/zinc/97/76/95/1312977695.db2.gz AEMJDUBPYVRNFU-UHFFFAOYSA-N 0 3 344.455 2.625 20 10 EFCDHN Oc1c(CN2CCN(C3CCC3)CC2)cccc1OC(F)(F)F ZINC001233727132 1312978912 /nfs/dbraw/zinc/97/89/12/1312978912.db2.gz JBLQHXNCZKXMOK-UHFFFAOYSA-N 0 3 330.350 2.961 20 10 EFCDHN O=C1COC2(C1)CC[NH+](Cc1cccc(OC(F)(F)F)c1[O-])CC2 ZINC001233737135 1312981576 /nfs/dbraw/zinc/98/15/76/1312981576.db2.gz WUQZFOSKJZXGLO-UHFFFAOYSA-N 0 3 345.317 2.615 20 10 EFCDHN Oc1c(CN2C[C@@H]3OCC(F)(F)[C@@H]3C2)cccc1OC(F)(F)F ZINC001233737167 1312981653 /nfs/dbraw/zinc/98/16/53/1312981653.db2.gz YIIJQIFQGVABRB-KOLCDFICSA-N 0 3 339.260 2.757 20 10 EFCDHN COc1ccc(O)c(CN2CC[C@H]3CN(C(=O)OC(C)(C)C)[C@H]3C2)c1 ZINC001203670247 1312985172 /nfs/dbraw/zinc/98/51/72/1312985172.db2.gz LRBQPBVVCNTAOF-BBRMVZONSA-N 0 3 348.443 2.842 20 10 EFCDHN COc1ccc(O)c(CN2CC[C@H]3O[C@@H](c4nc(C)no4)CC[C@H]32)c1 ZINC001203671379 1312985831 /nfs/dbraw/zinc/98/58/31/1312985831.db2.gz PDNYBNZYKSMHPT-DJIMGWMZSA-N 0 3 345.399 2.587 20 10 EFCDHN COc1ccc(O)c(CN2C[C@H]3CN(C(=O)OC(C)(C)C)CC[C@H]32)c1 ZINC001203671067 1312985995 /nfs/dbraw/zinc/98/59/95/1312985995.db2.gz IPTAEAPAQHYYFI-GDBMZVCRSA-N 0 3 348.443 2.842 20 10 EFCDHN COc1ccc(O)c(CN2CC(CCNC(=O)OC(C)(C)C)C2)c1 ZINC001203677970 1312987850 /nfs/dbraw/zinc/98/78/50/1312987850.db2.gz CWTVSXNWMNBMNI-UHFFFAOYSA-N 0 3 336.432 2.747 20 10 EFCDHN COc1ccc(O)c(CN2CCC(Oc3cccc(OC)n3)CC2)c1 ZINC001203681281 1312989170 /nfs/dbraw/zinc/98/91/70/1312989170.db2.gz SFLXHJJFBFGPHV-UHFFFAOYSA-N 0 3 344.411 2.848 20 10 EFCDHN CC(C)(O)CN1CCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000129950533 1293299051 /nfs/dbraw/zinc/29/90/51/1293299051.db2.gz IFSJXOMZSRSNMA-UHFFFAOYSA-N 0 3 331.504 2.565 20 10 EFCDHN CCc1cc(NCc2ccc(N3CCN(C)CC3)cc2)nc(C)n1 ZINC000882880088 1293364861 /nfs/dbraw/zinc/36/48/61/1293364861.db2.gz BBOONURMUPTGRY-UHFFFAOYSA-N 0 3 325.460 2.711 20 10 EFCDHN C[C@@H]1CN(CCCC[NH2+]Cc2cc(F)cc(F)c2[O-])C[C@H](C)O1 ZINC000883015286 1293430776 /nfs/dbraw/zinc/43/07/76/1293430776.db2.gz OGQFEFAFIYJIEF-BETUJISGSA-N 0 3 328.403 2.649 20 10 EFCDHN CN(C)c1ccc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)OC(C)(C)C)cc1 ZINC001203931131 1313050150 /nfs/dbraw/zinc/05/01/50/1313050150.db2.gz NGYWEUUZGUFHIO-FVQHAEBGSA-N 0 3 331.460 2.708 20 10 EFCDHN CCN(CC)c1ccc(CN2C[C@H]3CN(CC4CC4)C[C@@H](C2)O3)cc1 ZINC001203939678 1313051474 /nfs/dbraw/zinc/05/14/74/1313051474.db2.gz SQZCJYPKXROXGC-OYRHEFFESA-N 0 3 343.515 2.828 20 10 EFCDHN CCOC(=O)[C@H]1CCN(Cc2ccc(N(CC)CC)cc2)CCC1=O ZINC001203939021 1313051658 /nfs/dbraw/zinc/05/16/58/1313051658.db2.gz IVPWTPBRAMHVBF-SFHVURJKSA-N 0 3 346.471 2.877 20 10 EFCDHN CCOC(=O)C1=C(O)CCN(Cc2ccc(N(CC)CC)cc2)CC1 ZINC001203939021 1313051662 /nfs/dbraw/zinc/05/16/62/1313051662.db2.gz IVPWTPBRAMHVBF-SFHVURJKSA-N 0 3 346.471 2.877 20 10 EFCDHN Cc1cc(O[C@H]2CCCN(Cc3ccc(N(C)C)cc3)C2)ncn1 ZINC001203937217 1313051749 /nfs/dbraw/zinc/05/17/49/1313051749.db2.gz OXUNMLYDOZJBCE-SFHVURJKSA-N 0 3 326.444 2.894 20 10 EFCDHN CCN(CC)c1ccc(CN2CCN(CCC(C)(C)O)CC2)cc1 ZINC001203943413 1313052320 /nfs/dbraw/zinc/05/23/20/1313052320.db2.gz AIUNXHFGFUDCCU-UHFFFAOYSA-N 0 3 333.520 2.811 20 10 EFCDHN CCN(CC)c1ccc(CN2CC[C@H](Oc3ncccn3)C2)cc1 ZINC001203946816 1313052506 /nfs/dbraw/zinc/05/25/06/1313052506.db2.gz XMXQRYRWMAMJOX-SFHVURJKSA-N 0 3 326.444 2.976 20 10 EFCDHN C[C@@H]1CCNC(=O)[C@H]1NCc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796375583 1294590532 /nfs/dbraw/zinc/59/05/32/1294590532.db2.gz LYDNKGXOAOAZRK-IERDGZPVSA-N 0 3 349.478 2.864 20 10 EFCDHN COc1cc(Br)cc(C[NH2+]C[C@](C)(O)C(C)C)c1[O-] ZINC000304063067 1294657891 /nfs/dbraw/zinc/65/78/91/1294657891.db2.gz RHSARMWAVZYGEH-AWEZNQCLSA-N 0 3 332.238 2.660 20 10 EFCDHN CCN1CCCC[C@H]1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000104146724 1294816462 /nfs/dbraw/zinc/81/64/62/1294816462.db2.gz KDNFNKRNPKIQEO-SFHVURJKSA-N 0 3 347.528 2.730 20 10 EFCDHN CN(C)c1ccc(CN2CCO[C@@]3(CCOC3)C2)c2ccccc21 ZINC001204235045 1313106082 /nfs/dbraw/zinc/10/60/82/1313106082.db2.gz DVUSHRSDEBWEKH-FQEVSTJZSA-N 0 3 326.440 2.897 20 10 EFCDHN Cc1occc1CNCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000886324684 1294853326 /nfs/dbraw/zinc/85/33/26/1294853326.db2.gz CKPFHLPMBONLLY-UHFFFAOYSA-N 0 3 327.428 2.580 20 10 EFCDHN [O-]c1cc(O)ccc1C[N@@H+]1CC[C@H]2O[C@@H](COCC3CC3)CC[C@H]21 ZINC001204272454 1313112513 /nfs/dbraw/zinc/11/25/13/1313112513.db2.gz AVCWZVPNWMEJKI-ZHALLVOQSA-N 0 3 333.428 2.646 20 10 EFCDHN [O-]c1cc(O)ccc1C[N@H+]1CC[C@H]2O[C@@H](COCC3CC3)CC[C@H]21 ZINC001204272454 1313112517 /nfs/dbraw/zinc/11/25/17/1313112517.db2.gz AVCWZVPNWMEJKI-ZHALLVOQSA-N 0 3 333.428 2.646 20 10 EFCDHN C[C@@H]1CCN(C(=O)OC(C)(C)C)CCN1Cc1ccc(O)cc1O ZINC001204272533 1313112909 /nfs/dbraw/zinc/11/29/09/1313112909.db2.gz PQLLCKAJFNVKQZ-CYBMUJFWSA-N 0 3 336.432 2.929 20 10 EFCDHN C[C@H]1CCN(C(=O)OC(C)(C)C)CCN1Cc1ccc(O)cc1O ZINC001204272534 1313113197 /nfs/dbraw/zinc/11/31/97/1313113197.db2.gz PQLLCKAJFNVKQZ-ZDUSSCGKSA-N 0 3 336.432 2.929 20 10 EFCDHN [O-]c1cc(O)ccc1C[NH+]1CCC2(CCCN2c2ncccn2)CC1 ZINC001204273522 1313113375 /nfs/dbraw/zinc/11/33/75/1313113375.db2.gz QXCOJPSMIKRSFM-UHFFFAOYSA-N 0 3 340.427 2.523 20 10 EFCDHN CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CN2Cc2ccc(O)cc2O)C1 ZINC001204276081 1313114335 /nfs/dbraw/zinc/11/43/35/1313114335.db2.gz GAOGKCSYYXTRFA-DZGCQCFKSA-N 0 3 334.416 2.539 20 10 EFCDHN Oc1ccc(CN2CCC(Oc3cc(Cl)ncn3)CC2)c(O)c1 ZINC001204275846 1313114352 /nfs/dbraw/zinc/11/43/52/1313114352.db2.gz ZQSPEGPZGZAFPF-UHFFFAOYSA-N 0 3 335.791 2.585 20 10 EFCDHN CC(C)(C)OC(=O)N1CC2(C1)CC[NH+](Cc1ccc(O)cc1[O-])CC2 ZINC001204276078 1313114463 /nfs/dbraw/zinc/11/44/63/1313114463.db2.gz FYCVFYATNDJSAJ-UHFFFAOYSA-N 0 3 348.443 2.931 20 10 EFCDHN C[N@@H+](Cc1ccc(O)cc1[O-])C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001204277786 1313114924 /nfs/dbraw/zinc/11/49/24/1313114924.db2.gz LYMCCAAJDKUZFC-AWEZNQCLSA-N 0 3 336.432 2.929 20 10 EFCDHN C[N@H+](Cc1ccc(O)cc1[O-])C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001204277786 1313114928 /nfs/dbraw/zinc/11/49/28/1313114928.db2.gz LYMCCAAJDKUZFC-AWEZNQCLSA-N 0 3 336.432 2.929 20 10 EFCDHN CC(C)(C)OC(=O)NC[C@]1(C)CC[N@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204277612 1313114941 /nfs/dbraw/zinc/11/49/41/1313114941.db2.gz GVZRSFGOKSLJLR-SFHVURJKSA-N 0 3 336.432 2.835 20 10 EFCDHN CC(C)(C)OC(=O)NC[C@]1(C)CC[N@@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204277612 1313114944 /nfs/dbraw/zinc/11/49/44/1313114944.db2.gz GVZRSFGOKSLJLR-SFHVURJKSA-N 0 3 336.432 2.835 20 10 EFCDHN C[C@@H]1[C@H](NC(=O)OC(C)(C)C)CCCN1Cc1ccc(O)cc1O ZINC001204278245 1313114970 /nfs/dbraw/zinc/11/49/70/1313114970.db2.gz ZLEOYCAILGCYAO-IUODEOHRSA-N 0 3 336.432 2.975 20 10 EFCDHN O=C(N[C@@H]1CCCN(Cc2ccc(O)cc2O)C1)c1ccc(F)cc1 ZINC001204278049 1313115024 /nfs/dbraw/zinc/11/50/24/1313115024.db2.gz QUPXTTQVTUXDKS-MRXNPFEDSA-N 0 3 344.386 2.631 20 10 EFCDHN C[C@@H](NCC(=O)NCc1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000775835413 1294966023 /nfs/dbraw/zinc/96/60/23/1294966023.db2.gz YJXUAHROFRKXJK-CQSZACIVSA-N 0 3 329.419 2.859 20 10 EFCDHN C[C@H](NCC(=O)NCc1cc(F)cc(F)c1)c1ccc(N(C)C)cc1 ZINC000775836229 1294971189 /nfs/dbraw/zinc/97/11/89/1294971189.db2.gz LLCZTRUGFZTZFX-ZDUSSCGKSA-N 0 3 347.409 2.998 20 10 EFCDHN C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CN(Cc2ccc(O)cc2O)C1 ZINC001204281130 1313116412 /nfs/dbraw/zinc/11/64/12/1313116412.db2.gz RESVLSSIPRTUIA-GXTWGEPZSA-N 0 3 336.432 2.833 20 10 EFCDHN CC[N@H+](Cc1ccc(O)cc1[O-])[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001204281870 1313116610 /nfs/dbraw/zinc/11/66/10/1313116610.db2.gz YJOWSHYWEHMKMU-CQSZACIVSA-N 0 3 336.432 2.929 20 10 EFCDHN CC[N@@H+](Cc1ccc(O)cc1[O-])[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001204281870 1313116614 /nfs/dbraw/zinc/11/66/14/1313116614.db2.gz YJOWSHYWEHMKMU-CQSZACIVSA-N 0 3 336.432 2.929 20 10 EFCDHN CCC[C@@H](COC)[N@H+](CCC(=O)OCC)Cc1ccc(O)cc1[O-] ZINC001204281862 1313116635 /nfs/dbraw/zinc/11/66/35/1313116635.db2.gz YAKPQMQRRHZXBS-HNNXBMFYSA-N 0 3 339.432 2.668 20 10 EFCDHN CCC[C@@H](COC)[N@@H+](CCC(=O)OCC)Cc1ccc(O)cc1[O-] ZINC001204281862 1313116637 /nfs/dbraw/zinc/11/66/37/1313116637.db2.gz YAKPQMQRRHZXBS-HNNXBMFYSA-N 0 3 339.432 2.668 20 10 EFCDHN c1cc(N2CCCC2)ccc1CN1C[C@H]2CN(CC3CC3)C[C@@H](C1)O2 ZINC001204322819 1313122597 /nfs/dbraw/zinc/12/25/97/1313122597.db2.gz NOWBLARLEHKXQA-OYRHEFFESA-N 0 3 341.499 2.582 20 10 EFCDHN COc1cc(Br)cc(CN2CC[C@H]3OCC[C@@H]3C2)c1O ZINC001204341579 1313125736 /nfs/dbraw/zinc/12/57/36/1313125736.db2.gz HDBQTXYGGFLUJI-ZWNOBZJWSA-N 0 3 342.233 2.774 20 10 EFCDHN COc1ccc2ccc(O)c(CN3CCO[C@@H]4C[C@H](CO)C[C@@H]43)c2c1 ZINC001234526370 1313145749 /nfs/dbraw/zinc/14/57/49/1313145749.db2.gz UWQDRVBKNGTNEC-ORPRQENYSA-N 0 3 343.423 2.526 20 10 EFCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCC[C@H]3C(=O)N(C)C)c2c1 ZINC001234562119 1313158686 /nfs/dbraw/zinc/15/86/86/1313158686.db2.gz HMZRDPGBIVFLJF-KRWDZBQOSA-N 0 3 328.412 2.607 20 10 EFCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCC[C@H]3C(=O)N(C)C)c2c1 ZINC001234562119 1313158689 /nfs/dbraw/zinc/15/86/89/1313158689.db2.gz HMZRDPGBIVFLJF-KRWDZBQOSA-N 0 3 328.412 2.607 20 10 EFCDHN CCN1CCN(c2ccc(O[C@H]3CC[C@H](C(=O)OC)CC3)cc2)CC1 ZINC001234657191 1313178890 /nfs/dbraw/zinc/17/88/90/1313178890.db2.gz CKUSKSNKVWMGRZ-SAABIXHNSA-N 0 3 346.471 2.939 20 10 EFCDHN CCOC(=O)[C@@H]1CCC[C@@H]1Oc1ccc(N2CCN(CC)CC2)cc1 ZINC001234658014 1313179161 /nfs/dbraw/zinc/17/91/61/1313179161.db2.gz QWCYYBBDVRZNJV-MOPGFXCFSA-N 0 3 346.471 2.939 20 10 EFCDHN CCOC(=O)[C@H]1CCC[C@H]1Oc1ccc(N2CCN(CC)CC2)cc1 ZINC001234658016 1313179246 /nfs/dbraw/zinc/17/92/46/1313179246.db2.gz QWCYYBBDVRZNJV-RBUKOAKNSA-N 0 3 346.471 2.939 20 10 EFCDHN CCOC(=O)[C@@H](Oc1ccc(N2CCN(CC)CC2)cc1)C1CC1 ZINC001234660535 1313179299 /nfs/dbraw/zinc/17/92/99/1313179299.db2.gz IZQBOYLVWJBAJL-SFHVURJKSA-N 0 3 332.444 2.549 20 10 EFCDHN CCN1CCN(c2ccc(O[C@H]3CCCC4(C3)OCCO4)cc2)CC1 ZINC001234661021 1313179899 /nfs/dbraw/zinc/17/98/99/1313179899.db2.gz OMXHZSBUSZPKOT-IBGZPJMESA-N 0 3 346.471 2.893 20 10 EFCDHN CCN1CCN(c2ccc(O[C@@H]3COc4cnccc43)cc2)CC1 ZINC001234661530 1313180037 /nfs/dbraw/zinc/18/00/37/1313180037.db2.gz ULVYZYINVDDQRD-LJQANCHMSA-N 0 3 325.412 2.736 20 10 EFCDHN CCCCN1C(=O)C[C@@]2(CCC[N@H+](Cc3c(C)cccc3[O-])C2)C1=O ZINC001274301566 1296056303 /nfs/dbraw/zinc/05/63/03/1296056303.db2.gz QVHLBFATTVZPCQ-HXUWFJFHSA-N 0 3 344.455 2.842 20 10 EFCDHN CCCCN1C(=O)C[C@@]2(CCC[N@@H+](Cc3c(C)cccc3[O-])C2)C1=O ZINC001274301566 1296056315 /nfs/dbraw/zinc/05/63/15/1296056315.db2.gz QVHLBFATTVZPCQ-HXUWFJFHSA-N 0 3 344.455 2.842 20 10 EFCDHN COCCN1CC[NH+](Cc2cccc(-c3ccccc3)c2[O-])CC1 ZINC001235000429 1313220094 /nfs/dbraw/zinc/22/00/94/1313220094.db2.gz IIBYLQKNCIOHEB-UHFFFAOYSA-N 0 3 326.440 2.823 20 10 EFCDHN Cc1cc([O-])c(CN2CC[C@@H]3CC[NH2+][C@@H]3C2)cc1Br ZINC001235021861 1313225956 /nfs/dbraw/zinc/22/59/56/1313225956.db2.gz QMSSXGXTJIENSW-SMDDNHRTSA-N 0 3 325.250 2.647 20 10 EFCDHN CC1=CCC=C[C@H]1C(=O)N1CCC2(CN(Cc3ccccc3O)C2)C1 ZINC001275267246 1296246555 /nfs/dbraw/zinc/24/65/55/1296246555.db2.gz ZZEMSSIGQAVMHG-GOSISDBHSA-N 0 3 338.451 2.949 20 10 EFCDHN CC(C)NC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1[O-])C2 ZINC001275267445 1296246597 /nfs/dbraw/zinc/24/65/97/1296246597.db2.gz OREMNFPHPAZWSP-IBGZPJMESA-N 0 3 331.460 2.798 20 10 EFCDHN CC(C)NC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1[O-])C2 ZINC001275267445 1296246602 /nfs/dbraw/zinc/24/66/02/1296246602.db2.gz OREMNFPHPAZWSP-IBGZPJMESA-N 0 3 331.460 2.798 20 10 EFCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@]2(CCCN(Cc3cn[nH]c3)C2)C1 ZINC001275267191 1296247178 /nfs/dbraw/zinc/24/71/78/1296247178.db2.gz KWCPPUIGURZURL-FQEVSTJZSA-N 0 3 340.471 2.994 20 10 EFCDHN [O-]c1ccccc1C[N@H+]1CCC[C@]2(CCCN(Cc3cn[nH]c3)C2)C1 ZINC001275267191 1296247184 /nfs/dbraw/zinc/24/71/84/1296247184.db2.gz KWCPPUIGURZURL-FQEVSTJZSA-N 0 3 340.471 2.994 20 10 EFCDHN Cc1ccc(C)c(CN2CC3(CCN3Cc3cccc(=O)[nH]3)C2)c1O ZINC001275968918 1296464564 /nfs/dbraw/zinc/46/45/64/1296464564.db2.gz SIVSDPLIPHYADV-UHFFFAOYSA-N 0 3 339.439 2.570 20 10 EFCDHN COc1cc([O-])c(CN2CCC[C@@](C)([NH3+])CC2)c(Br)c1 ZINC001205288127 1313265274 /nfs/dbraw/zinc/26/52/74/1313265274.db2.gz GNDCSDPAXQBCNJ-OAHLLOKOSA-N 0 3 343.265 2.867 20 10 EFCDHN CC(C)(C)c1cc([O-])c(CN2CCO[C@H]3CC[NH2+]C[C@@H]32)cc1Cl ZINC001235213566 1313266423 /nfs/dbraw/zinc/26/64/23/1313266423.db2.gz NUSFSUFRCUTGPB-RDJZCZTQSA-N 0 3 338.879 2.906 20 10 EFCDHN COc1ccc(N2CCN(CCCN[C@H](C)c3ncco3)CC2)cc1 ZINC000924578909 1296774323 /nfs/dbraw/zinc/77/43/23/1296774323.db2.gz FBMJBALZRGLDRZ-MRXNPFEDSA-N 0 3 344.459 2.546 20 10 EFCDHN COc1ccc(N2CCN(CCCN[C@@H](C)c3ncco3)CC2)cc1 ZINC000924578908 1296775250 /nfs/dbraw/zinc/77/52/50/1296775250.db2.gz FBMJBALZRGLDRZ-INIZCTEOSA-N 0 3 344.459 2.546 20 10 EFCDHN COc1ccc(O)c(CNCc2ccnc(OC3CCOCC3)c2)c1 ZINC000776174292 1296809100 /nfs/dbraw/zinc/80/91/00/1296809100.db2.gz LRVOIOIQIMZTBB-UHFFFAOYSA-N 0 3 344.411 2.643 20 10 EFCDHN C[C@H](NCc1cc(F)c(N2CCOCC2)c(F)c1)c1cc[nH]c(=O)c1 ZINC000926558325 1296935051 /nfs/dbraw/zinc/93/50/51/1296935051.db2.gz DKVLUHJVTBYNRL-LBPRGKRZSA-N 0 3 349.381 2.753 20 10 EFCDHN COc1cc(Br)cc(C[NH2+][C@H](C)[C@H]2CCOC2)c1[O-] ZINC000776219385 1297130833 /nfs/dbraw/zinc/13/08/33/1297130833.db2.gz OLJHMLICCNTEEU-ZJUUUORDSA-N 0 3 330.222 2.678 20 10 EFCDHN COc1cc([O-])c(CN2C[C@H](C)CC[C@H]2C[NH3+])c(Br)c1 ZINC001205855802 1313366804 /nfs/dbraw/zinc/36/68/04/1313366804.db2.gz PIPPGQXOQBIFCK-MNOVXSKESA-N 0 3 343.265 2.723 20 10 EFCDHN CC(C)(C)c1ccc(C[NH+]2CCC(N3CCOCC3)CC2)c([O-])c1 ZINC001235673866 1313372776 /nfs/dbraw/zinc/37/27/76/1313372776.db2.gz AQYRJLOXVSJUBW-UHFFFAOYSA-N 0 3 332.488 2.986 20 10 EFCDHN CC(C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(C(C)(C)C)cc3[O-])C[C@H]21 ZINC001235680546 1313373027 /nfs/dbraw/zinc/37/30/27/1313373027.db2.gz WEBLRFJTDAHPOL-VQFNDLOPSA-N 0 3 330.472 2.892 20 10 EFCDHN CC(C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(C(C)(C)C)cc3[O-])C[C@H]21 ZINC001235680546 1313373031 /nfs/dbraw/zinc/37/30/31/1313373031.db2.gz WEBLRFJTDAHPOL-VQFNDLOPSA-N 0 3 330.472 2.892 20 10 EFCDHN COCCCN(Cc1cc(Cl)c(OC)cc1[O-])[C@H]1CCC[NH2+]C1 ZINC001235807783 1313401430 /nfs/dbraw/zinc/40/14/30/1313401430.db2.gz WOTUUZWXSSDLHJ-AWEZNQCLSA-N 0 3 342.867 2.645 20 10 EFCDHN CC(C)C[C@H]1CN(Cc2cc(Br)ccc2[O-])CC[NH2+]1 ZINC001235878752 1313413747 /nfs/dbraw/zinc/41/37/47/1313413747.db2.gz OQUYJWJCUYLSRE-AWEZNQCLSA-N 0 3 327.266 2.975 20 10 EFCDHN COc1cc([O-])c(CN(C)[C@H]2CCCC[C@@H]2[NH3+])c(Br)c1 ZINC001236218058 1313457440 /nfs/dbraw/zinc/45/74/40/1313457440.db2.gz RHJYNBXHBADNNY-KBPBESRZSA-N 0 3 343.265 2.865 20 10 EFCDHN CCCN(Cc1cc(Br)c(OC)cc1[O-])[C@H]1CC[NH2+]C1 ZINC001236322765 1313469313 /nfs/dbraw/zinc/46/93/13/1313469313.db2.gz AHJHKENFMJEOCK-LBPRGKRZSA-N 0 3 343.265 2.737 20 10 EFCDHN COc1cc(C[N@H+](C)C2CCN(C)CC2)c([O-])cc1Br ZINC001236744902 1313520986 /nfs/dbraw/zinc/52/09/86/1313520986.db2.gz ILRSQGMIRLVVIN-UHFFFAOYSA-N 0 3 343.265 2.689 20 10 EFCDHN COc1cc(C[N@@H+](C)C2CCN(C)CC2)c([O-])cc1Br ZINC001236744902 1313520987 /nfs/dbraw/zinc/52/09/87/1313520987.db2.gz ILRSQGMIRLVVIN-UHFFFAOYSA-N 0 3 343.265 2.689 20 10 EFCDHN COc1cc(CN2C[C@H](C)N(C)C[C@H]2C)c(O)cc1Br ZINC001236749040 1313521951 /nfs/dbraw/zinc/52/19/51/1313521951.db2.gz XWVZIJZOJWDSNQ-WDEREUQCSA-N 0 3 343.265 2.688 20 10 EFCDHN COc1cc(C[N@@H+]2CCC[C@H]2C(C)(C)O)c([O-])cc1Br ZINC001236757434 1313522797 /nfs/dbraw/zinc/52/27/97/1313522797.db2.gz UPYHJJHMXABCDN-AWEZNQCLSA-N 0 3 344.249 2.899 20 10 EFCDHN COc1cc(C[N@H+]2CCC[C@H]2C(C)(C)O)c([O-])cc1Br ZINC001236757434 1313522801 /nfs/dbraw/zinc/52/28/01/1313522801.db2.gz UPYHJJHMXABCDN-AWEZNQCLSA-N 0 3 344.249 2.899 20 10 EFCDHN COc1cc(O)c(CN2CC[C@H](Oc3cccc(C)n3)C2)cc1OC ZINC001236754850 1313523309 /nfs/dbraw/zinc/52/33/09/1313523309.db2.gz VJBJASLWZNWCSL-HNNXBMFYSA-N 0 3 344.411 2.766 20 10 EFCDHN Cc1cc(Br)cc(C[NH2+]C[C@@H](O)c2ccco2)c1[O-] ZINC000305759812 1298571576 /nfs/dbraw/zinc/57/15/76/1298571576.db2.gz BVIWEBOGBOYECY-GFCCVEGCSA-N 0 3 326.190 2.879 20 10 EFCDHN C[N@H+](CCc1cccnc1)Cc1cc(O)c(Br)cc1[O-] ZINC001236771585 1313525854 /nfs/dbraw/zinc/52/58/54/1313525854.db2.gz SEEMTLIQCCSGDI-UHFFFAOYSA-N 0 3 337.217 2.930 20 10 EFCDHN C[N@@H+](CCc1cccnc1)Cc1cc(O)c(Br)cc1[O-] ZINC001236771585 1313525859 /nfs/dbraw/zinc/52/58/59/1313525859.db2.gz SEEMTLIQCCSGDI-UHFFFAOYSA-N 0 3 337.217 2.930 20 10 EFCDHN Oc1ccc(OCc2ccccc2)cc1CN1CC[C@H](F)[C@H](O)C1 ZINC001236778703 1313527782 /nfs/dbraw/zinc/52/77/82/1313527782.db2.gz LXASQCHHOLEHFM-PKOBYXMFSA-N 0 3 331.387 2.876 20 10 EFCDHN CCc1ccc(C[NH+]2CCC(NC(=O)c3ccncc3)CC2)c([O-])c1 ZINC001236788770 1313529466 /nfs/dbraw/zinc/52/94/66/1313529466.db2.gz QEXWGYGDGSLHSF-UHFFFAOYSA-N 0 3 339.439 2.744 20 10 EFCDHN CCc1ccc(C[NH+]2CCC(NC(=O)N3CCCC3)CC2)c([O-])c1 ZINC001236787674 1313529507 /nfs/dbraw/zinc/52/95/07/1313529507.db2.gz JOBKESXEYLZSOM-UHFFFAOYSA-N 0 3 331.460 2.724 20 10 EFCDHN CCc1ccc(CN2CCCN(C(=O)c3ccco3)CC2)c(O)c1 ZINC001236795226 1313530760 /nfs/dbraw/zinc/53/07/60/1313530760.db2.gz SCPNUSJSDHHDAC-UHFFFAOYSA-N 0 3 328.412 2.896 20 10 EFCDHN COc1cc(C)c(CN2CCN(c3ccc(C)cn3)CC2)c(O)c1 ZINC001236812008 1313534940 /nfs/dbraw/zinc/53/49/40/1313534940.db2.gz XRYNUDMFRNGVGR-UHFFFAOYSA-N 0 3 327.428 2.735 20 10 EFCDHN COc1cc(C)c(C[N@@H+]2CCCN(c3cccnc3)CC2)c([O-])c1 ZINC001236815462 1313535495 /nfs/dbraw/zinc/53/54/95/1313535495.db2.gz MATBZIZBNUNBSC-UHFFFAOYSA-N 0 3 327.428 2.817 20 10 EFCDHN COc1cc(C)c(C[N@H+]2CCCN(c3cccnc3)CC2)c([O-])c1 ZINC001236815462 1313535497 /nfs/dbraw/zinc/53/54/97/1313535497.db2.gz MATBZIZBNUNBSC-UHFFFAOYSA-N 0 3 327.428 2.817 20 10 EFCDHN CCNC(=O)CO[C@H]1CCC[N@H+](Cc2cc3ccccc3cc2[O-])C1 ZINC001236833920 1313538503 /nfs/dbraw/zinc/53/85/03/1313538503.db2.gz RDNZWCUDNJXFAR-SFHVURJKSA-N 0 3 342.439 2.663 20 10 EFCDHN CCNC(=O)CO[C@H]1CCC[N@@H+](Cc2cc3ccccc3cc2[O-])C1 ZINC001236833920 1313538506 /nfs/dbraw/zinc/53/85/06/1313538506.db2.gz RDNZWCUDNJXFAR-SFHVURJKSA-N 0 3 342.439 2.663 20 10 EFCDHN C[C@@H]1CC[C@@H](CO)CN1Cc1ccc(N2CCOCC2)cc1Cl ZINC001236920907 1313553127 /nfs/dbraw/zinc/55/31/27/1313553127.db2.gz APOHRSLVMJJLGX-HUUCEWRRSA-N 0 3 338.879 2.769 20 10 EFCDHN Clc1cc(N2CCOCC2)ccc1CN1CC[C@H]2COC[C@@H]2C1 ZINC001236920822 1313553617 /nfs/dbraw/zinc/55/36/17/1313553617.db2.gz ZAOMXIFEIKQRPZ-HOTGVXAUSA-N 0 3 336.863 2.645 20 10 EFCDHN C[C@@H]1CCN(Cc2ccc(N3CCOCC3)cc2Cl)CC[C@@H]1O ZINC001236926287 1313555030 /nfs/dbraw/zinc/55/50/30/1313555030.db2.gz FBHCWWARZUAKPI-KDOFPFPSSA-N 0 3 338.879 2.769 20 10 EFCDHN CN1CCN(c2ccc(CN3CC[C@@H](C(F)(F)F)C3)c(F)c2)CC1 ZINC001236938868 1313557206 /nfs/dbraw/zinc/55/72/06/1313557206.db2.gz OMUBNCMENUIOCI-CQSZACIVSA-N 0 3 345.384 2.962 20 10 EFCDHN CCOc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCN3C(=O)C(C)C)C2)c([O-])c1 ZINC001237040322 1313573407 /nfs/dbraw/zinc/57/34/07/1313573407.db2.gz GQNXALMDDDFEGF-YJBOKZPZSA-N 0 3 346.471 2.870 20 10 EFCDHN CCOc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCN3C(=O)C(C)C)C2)c([O-])c1 ZINC001237040322 1313573411 /nfs/dbraw/zinc/57/34/11/1313573411.db2.gz GQNXALMDDDFEGF-YJBOKZPZSA-N 0 3 346.471 2.870 20 10 EFCDHN CCOc1ccc(CN2CCCC[C@@H]2C(=O)N2CCCC2)c(O)c1 ZINC001237041409 1313574329 /nfs/dbraw/zinc/57/43/29/1313574329.db2.gz IIJACLVOBDXRNR-QGZVFWFLSA-N 0 3 332.444 2.768 20 10 EFCDHN CCOc1ccc(C[N@@H+]2CC[C@@H](O)[C@@H]2Cc2ccccc2)c([O-])c1 ZINC001237042895 1313574682 /nfs/dbraw/zinc/57/46/82/1313574682.db2.gz LZBMDGJDIBELDS-RBUKOAKNSA-N 0 3 327.424 2.969 20 10 EFCDHN CCOc1ccc(C[N@H+]2CC[C@@H](O)[C@@H]2Cc2ccccc2)c([O-])c1 ZINC001237042895 1313574684 /nfs/dbraw/zinc/57/46/84/1313574684.db2.gz LZBMDGJDIBELDS-RBUKOAKNSA-N 0 3 327.424 2.969 20 10 EFCDHN CCOc1ccc(CN2C[C@H]3CN(C(=O)OC(C)(C)C)[C@@H]3C2)c(O)c1 ZINC001237047028 1313574832 /nfs/dbraw/zinc/57/48/32/1313574832.db2.gz QOZVLVVFOZGRLY-GOEBONIOSA-N 0 3 348.443 2.842 20 10 EFCDHN CCOc1ccc(C[NH+]2CCC(NC(=O)N3CCCC3)CC2)c([O-])c1 ZINC001237048627 1313576299 /nfs/dbraw/zinc/57/62/99/1313576299.db2.gz UYIFXBTYKHTZRW-UHFFFAOYSA-N 0 3 347.459 2.561 20 10 EFCDHN CCOc1ccc(C[N@@H+]2CCC[C@H](Oc3cc(C)ncn3)C2)c([O-])c1 ZINC001237047056 1313575394 /nfs/dbraw/zinc/57/53/94/1313575394.db2.gz JVXIUJRFDJCMFJ-KRWDZBQOSA-N 0 3 343.427 2.933 20 10 EFCDHN CCOc1ccc(C[N@H+]2CCC[C@H](Oc3cc(C)ncn3)C2)c([O-])c1 ZINC001237047056 1313575399 /nfs/dbraw/zinc/57/53/99/1313575399.db2.gz JVXIUJRFDJCMFJ-KRWDZBQOSA-N 0 3 343.427 2.933 20 10 EFCDHN CCOc1ccc(C[N@@H+]2CC[C@H](Oc3cccc(OC)n3)C2)c([O-])c1 ZINC001237046832 1313575558 /nfs/dbraw/zinc/57/55/58/1313575558.db2.gz GRSZQLLIAVLTHB-INIZCTEOSA-N 0 3 344.411 2.848 20 10 EFCDHN CCOc1ccc(C[N@H+]2CC[C@H](Oc3cccc(OC)n3)C2)c([O-])c1 ZINC001237046832 1313575562 /nfs/dbraw/zinc/57/55/62/1313575562.db2.gz GRSZQLLIAVLTHB-INIZCTEOSA-N 0 3 344.411 2.848 20 10 EFCDHN CCOc1ccc(CN2CC[C@@](O)(C(F)(F)F)[C@H](C)C2)c(O)c1 ZINC001237048941 1313575652 /nfs/dbraw/zinc/57/56/52/1313575652.db2.gz BPYLANKZZXFYBF-ABAIWWIYSA-N 0 3 333.350 2.926 20 10 EFCDHN CCOc1ccc(C[N@@H+]2CC[C@@](O)(C(F)(F)F)[C@H](C)C2)c([O-])c1 ZINC001237048941 1313575655 /nfs/dbraw/zinc/57/56/55/1313575655.db2.gz BPYLANKZZXFYBF-ABAIWWIYSA-N 0 3 333.350 2.926 20 10 EFCDHN CCOc1ccc(C[N@H+]2CC[C@@](O)(C(F)(F)F)[C@H](C)C2)c([O-])c1 ZINC001237048941 1313575659 /nfs/dbraw/zinc/57/56/59/1313575659.db2.gz BPYLANKZZXFYBF-ABAIWWIYSA-N 0 3 333.350 2.926 20 10 EFCDHN COC(=O)CC[N@H+](Cc1ccc(OCC(F)(F)F)cc1[O-])C1CC1 ZINC001237064105 1313579959 /nfs/dbraw/zinc/57/99/59/1313579959.db2.gz YKKNCZJQBWKZOE-UHFFFAOYSA-N 0 3 347.333 2.861 20 10 EFCDHN COC(=O)CC[N@@H+](Cc1ccc(OCC(F)(F)F)cc1[O-])C1CC1 ZINC001237064105 1313579962 /nfs/dbraw/zinc/57/99/62/1313579962.db2.gz YKKNCZJQBWKZOE-UHFFFAOYSA-N 0 3 347.333 2.861 20 10 EFCDHN CCN(CC[NH+](C)C)Cc1c([O-])cc(OC)cc1Br ZINC001237064306 1313579967 /nfs/dbraw/zinc/57/99/67/1313579967.db2.gz ZYSNYTWLPQYHAS-UHFFFAOYSA-N 0 3 331.254 2.547 20 10 EFCDHN COc1cc([O-])c(CN2CCC[C@H]2C[NH+](C)C)c(Br)c1 ZINC001237073796 1313583051 /nfs/dbraw/zinc/58/30/51/1313583051.db2.gz VHNNSOSQQXRKGW-NSHDSACASA-N 0 3 343.265 2.689 20 10 EFCDHN Oc1cc(OCC(F)(F)F)ccc1CN1CCN(C2CC2)CC1 ZINC001237050935 1313576604 /nfs/dbraw/zinc/57/66/04/1313576604.db2.gz FYILGPRVRIXJAT-UHFFFAOYSA-N 0 3 330.350 2.613 20 10 EFCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@H+]1CC[C@@H](O)[C@H](F)CC1 ZINC001237052693 1313577289 /nfs/dbraw/zinc/57/72/89/1313577289.db2.gz BVQNLZYNOAOETK-CHWSQXEVSA-N 0 3 337.313 2.628 20 10 EFCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@@H+]1CC[C@@H](O)[C@H](F)CC1 ZINC001237052693 1313577291 /nfs/dbraw/zinc/57/72/91/1313577291.db2.gz BVQNLZYNOAOETK-CHWSQXEVSA-N 0 3 337.313 2.628 20 10 EFCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@@H+]1CCCC2(COC2)C1 ZINC001237054199 1313578079 /nfs/dbraw/zinc/57/80/79/1313578079.db2.gz WOYXVDJVDRVVSX-UHFFFAOYSA-N 0 3 331.334 2.946 20 10 EFCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@H+]1CCCC2(COC2)C1 ZINC001237054199 1313578083 /nfs/dbraw/zinc/57/80/83/1313578083.db2.gz WOYXVDJVDRVVSX-UHFFFAOYSA-N 0 3 331.334 2.946 20 10 EFCDHN CN(C)C(=O)[C@H]1CCC[N@H+](Cc2c([O-])cccc2OC(F)(F)F)C1 ZINC001237111825 1313587316 /nfs/dbraw/zinc/58/73/16/1313587316.db2.gz UODBDFZKMVEWCR-NSHDSACASA-N 0 3 346.349 2.591 20 10 EFCDHN CN(C)C(=O)[C@H]1CCC[N@@H+](Cc2c([O-])cccc2OC(F)(F)F)C1 ZINC001237111825 1313587317 /nfs/dbraw/zinc/58/73/17/1313587317.db2.gz UODBDFZKMVEWCR-NSHDSACASA-N 0 3 346.349 2.591 20 10 EFCDHN CN(C)C(=O)[C@H]1CCCN(Cc2c(O)cccc2OC(F)(F)F)C1 ZINC001237111825 1313587319 /nfs/dbraw/zinc/58/73/19/1313587319.db2.gz UODBDFZKMVEWCR-NSHDSACASA-N 0 3 346.349 2.591 20 10 EFCDHN CC(=O)N1CCC[C@H](N(C)Cc2c(O)cccc2OC(F)(F)F)C1 ZINC001237114865 1313588076 /nfs/dbraw/zinc/58/80/76/1313588076.db2.gz NSUMGJRPGLJCIO-LBPRGKRZSA-N 0 3 346.349 2.734 20 10 EFCDHN CC(=O)N1CCC[C@H]([N@H+](C)Cc2c([O-])cccc2OC(F)(F)F)C1 ZINC001237114865 1313588080 /nfs/dbraw/zinc/58/80/80/1313588080.db2.gz NSUMGJRPGLJCIO-LBPRGKRZSA-N 0 3 346.349 2.734 20 10 EFCDHN CC(=O)N1CCC[C@H]([N@@H+](C)Cc2c([O-])cccc2OC(F)(F)F)C1 ZINC001237114865 1313588083 /nfs/dbraw/zinc/58/80/83/1313588083.db2.gz NSUMGJRPGLJCIO-LBPRGKRZSA-N 0 3 346.349 2.734 20 10 EFCDHN COC(=O)CC[N@H+](Cc1c([O-])cccc1OC(F)(F)F)C1CC1 ZINC001237115460 1313589054 /nfs/dbraw/zinc/58/90/54/1313589054.db2.gz TZQWPFMUVQMLOS-UHFFFAOYSA-N 0 3 333.306 2.818 20 10 EFCDHN COC(=O)CC[N@@H+](Cc1c([O-])cccc1OC(F)(F)F)C1CC1 ZINC001237115460 1313589057 /nfs/dbraw/zinc/58/90/57/1313589057.db2.gz TZQWPFMUVQMLOS-UHFFFAOYSA-N 0 3 333.306 2.818 20 10 EFCDHN Oc1cccc(OC(F)(F)F)c1CN1CCN(C2CCC2)CC1 ZINC001237119400 1313589366 /nfs/dbraw/zinc/58/93/66/1313589366.db2.gz HVPWBZSUSSOHOF-UHFFFAOYSA-N 0 3 330.350 2.961 20 10 EFCDHN COC(=O)C[C@@H]1CCCN1Cc1c(O)cccc1OC(F)(F)F ZINC001237122314 1313590137 /nfs/dbraw/zinc/59/01/37/1313590137.db2.gz IDHOAPUWFCAUNL-JTQLQIEISA-N 0 3 333.306 2.818 20 10 EFCDHN Oc1cccc(OC(F)(F)F)c1CN1CCC[C@@](O)(CF)CC1 ZINC001237121799 1313590664 /nfs/dbraw/zinc/59/06/64/1313590664.db2.gz ZPYZIMQVLLKBQR-AWEZNQCLSA-N 0 3 337.313 2.977 20 10 EFCDHN C[N@@H+]1C[C@H]2CCCN(Cc3c([O-])cccc3OC(F)(F)F)[C@H]2C1 ZINC001237124061 1313591139 /nfs/dbraw/zinc/59/11/39/1313591139.db2.gz XHOBTEMYXNJINE-YPMHNXCESA-N 0 3 330.350 2.817 20 10 EFCDHN C[N@H+]1C[C@H]2CCCN(Cc3c([O-])cccc3OC(F)(F)F)[C@H]2C1 ZINC001237124061 1313591142 /nfs/dbraw/zinc/59/11/42/1313591142.db2.gz XHOBTEMYXNJINE-YPMHNXCESA-N 0 3 330.350 2.817 20 10 EFCDHN O=S1(=O)CCN(c2ccc(CN3CC[C@H]4CCC[C@@H]4C3)cc2)CC1 ZINC001237204602 1313605203 /nfs/dbraw/zinc/60/52/03/1313605203.db2.gz COWJXLYMKNOADQ-QZTJIDSGSA-N 0 3 348.512 2.543 20 10 EFCDHN COC(=O)c1c(CN2CCNC3=CCCC[C@@H]32)c2ccccc2n1C ZINC001237224344 1313609536 /nfs/dbraw/zinc/60/95/36/1313609536.db2.gz FMIMQLOODKNZOS-SFHVURJKSA-N 0 3 339.439 2.807 20 10 EFCDHN [O-]c1ccccc1C[N@H+](CCOCC(F)(F)F)C[C@@H]1CCCO1 ZINC000109761417 1299336889 /nfs/dbraw/zinc/33/68/89/1299336889.db2.gz QMEYQKOUEGZIBZ-AWEZNQCLSA-N 0 3 333.350 2.952 20 10 EFCDHN [O-]c1ccccc1C[N@@H+](CCOCC(F)(F)F)C[C@@H]1CCCO1 ZINC000109761417 1299336898 /nfs/dbraw/zinc/33/68/98/1299336898.db2.gz QMEYQKOUEGZIBZ-AWEZNQCLSA-N 0 3 333.350 2.952 20 10 EFCDHN C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1ccccc1[O-] ZINC000109771190 1299337765 /nfs/dbraw/zinc/33/77/65/1299337765.db2.gz UHIBQCXHEMPEJD-UHFFFAOYSA-N 0 3 329.356 2.761 20 10 EFCDHN C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1ccccc1[O-] ZINC000109771190 1299337780 /nfs/dbraw/zinc/33/77/80/1299337780.db2.gz UHIBQCXHEMPEJD-UHFFFAOYSA-N 0 3 329.356 2.761 20 10 EFCDHN CCn1ccnc1CN1CC2(C1)CN(Cc1c(C)cc(C)cc1O)C2 ZINC001276366098 1299369809 /nfs/dbraw/zinc/36/98/09/1299369809.db2.gz ZMTZIMSIHBJQAT-UHFFFAOYSA-N 0 3 340.471 2.543 20 10 EFCDHN CC(C)CNC(=O)CCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000851840408 1299427532 /nfs/dbraw/zinc/42/75/32/1299427532.db2.gz FYACGRFFAXZJKX-SFHVURJKSA-N 0 3 348.487 2.926 20 10 EFCDHN CC(C)CNC(=O)CCC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000851840408 1299427539 /nfs/dbraw/zinc/42/75/39/1299427539.db2.gz FYACGRFFAXZJKX-SFHVURJKSA-N 0 3 348.487 2.926 20 10 EFCDHN [O-]c1ccc(Br)cc1CN1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237383894 1313633114 /nfs/dbraw/zinc/63/31/14/1313633114.db2.gz SFICNZOMYUGDNK-RISCZKNCSA-N 0 3 325.250 2.729 20 10 EFCDHN O=C(NCCCSc1nccs1)c1cc2c(s1)CCNC2 ZINC000852806678 1299896113 /nfs/dbraw/zinc/89/61/13/1299896113.db2.gz WLNWEIXAISUZRF-UHFFFAOYSA-N 0 3 339.511 2.763 20 10 EFCDHN Cc1cc(N(C)C)ccc1CNC(=O)c1cc2c(s1)CCNC2 ZINC000852807647 1299896185 /nfs/dbraw/zinc/89/61/85/1299896185.db2.gz XKKVZYAVKJBZTO-UHFFFAOYSA-N 0 3 329.469 2.698 20 10 EFCDHN Cc1cccc([O-])c1C[NH+]1C[C@H]2CN(C(=O)c3ccsc3)C[C@@H]2C1 ZINC001237488990 1313654797 /nfs/dbraw/zinc/65/47/97/1313654797.db2.gz TXAWPDDQRWIBPN-HOTGVXAUSA-N 0 3 342.464 2.966 20 10 EFCDHN Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1cccc3c1CCNC3)CC2 ZINC000852889577 1299927790 /nfs/dbraw/zinc/92/77/90/1299927790.db2.gz SLNAOPGKCFNTJS-UHFFFAOYSA-N 0 3 337.379 2.752 20 10 EFCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@@H]4NC(=O)CC[C@@H]4C3)c2c1 ZINC000853555983 1300163581 /nfs/dbraw/zinc/16/35/81/1300163581.db2.gz UKZHWCXEWCPXJZ-KDOFPFPSSA-N 0 3 340.423 2.655 20 10 EFCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@@H]4NC(=O)CC[C@@H]4C3)c2c1 ZINC000853555983 1300163585 /nfs/dbraw/zinc/16/35/85/1300163585.db2.gz UKZHWCXEWCPXJZ-KDOFPFPSSA-N 0 3 340.423 2.655 20 10 EFCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@H]4NC(=O)CC[C@@H]4C3)c2c1 ZINC000853555985 1300163757 /nfs/dbraw/zinc/16/37/57/1300163757.db2.gz UKZHWCXEWCPXJZ-RDTXWAMCSA-N 0 3 340.423 2.655 20 10 EFCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@H]4NC(=O)CC[C@@H]4C3)c2c1 ZINC000853555985 1300163765 /nfs/dbraw/zinc/16/37/65/1300163765.db2.gz UKZHWCXEWCPXJZ-RDTXWAMCSA-N 0 3 340.423 2.655 20 10 EFCDHN C[C@@]1(CO)C[N@H+](Cc2cc(-c3ccc(F)cc3)ccc2[O-])CC[C@H]1O ZINC001237640692 1313683054 /nfs/dbraw/zinc/68/30/54/1313683054.db2.gz DYUIQRWWSSPFEJ-UXHICEINSA-N 0 3 345.414 2.764 20 10 EFCDHN C[C@@]1(CO)C[N@@H+](Cc2cc(-c3ccc(F)cc3)ccc2[O-])CC[C@H]1O ZINC001237640692 1313683058 /nfs/dbraw/zinc/68/30/58/1313683058.db2.gz DYUIQRWWSSPFEJ-UXHICEINSA-N 0 3 345.414 2.764 20 10 EFCDHN Oc1ccc(-c2ccc(F)cc2)cc1CN1CCN(C2COC2)CC1 ZINC001237641723 1313682544 /nfs/dbraw/zinc/68/25/44/1313682544.db2.gz WHBSEQZGKNAXSC-UHFFFAOYSA-N 0 3 342.414 2.715 20 10 EFCDHN Cc1cc(O)c(CN2CC(N3CCCC3)C2)cc1Br ZINC001237677799 1313689674 /nfs/dbraw/zinc/68/96/74/1313689674.db2.gz DSPLTEFYYOBYPE-UHFFFAOYSA-N 0 3 325.250 2.743 20 10 EFCDHN Cc1cc([O-])c(CN2CCC[C@@H]([NH+](C)C)C2)cc1Br ZINC001237678070 1313689918 /nfs/dbraw/zinc/68/99/18/1313689918.db2.gz IQMQTCBTZGIGQX-CYBMUJFWSA-N 0 3 327.266 2.989 20 10 EFCDHN COC(=O)C[C@@H]1CCC[N@@H+]1Cc1cc(Br)c(C)cc1[O-] ZINC001237682940 1313691054 /nfs/dbraw/zinc/69/10/54/1313691054.db2.gz VFBBMSCATMLVLN-LBPRGKRZSA-N 0 3 342.233 2.991 20 10 EFCDHN COC(=O)C[C@@H]1CCC[N@H+]1Cc1cc(Br)c(C)cc1[O-] ZINC001237682940 1313691057 /nfs/dbraw/zinc/69/10/57/1313691057.db2.gz VFBBMSCATMLVLN-LBPRGKRZSA-N 0 3 342.233 2.991 20 10 EFCDHN CC[N@H+]1C[C@H]2CN(Cc3cc(Br)c(C)cc3[O-])C[C@H]2C1 ZINC001237684429 1313691814 /nfs/dbraw/zinc/69/18/14/1313691814.db2.gz KMEXQMYIFFSVTP-OKILXGFUSA-N 0 3 339.277 2.847 20 10 EFCDHN CC[N@@H+]1C[C@H]2CN(Cc3cc(Br)c(C)cc3[O-])C[C@H]2C1 ZINC001237684429 1313691817 /nfs/dbraw/zinc/69/18/17/1313691817.db2.gz KMEXQMYIFFSVTP-OKILXGFUSA-N 0 3 339.277 2.847 20 10 EFCDHN COc1cc(CN2CC[C@@H](Oc3ncccc3C)C2)c(O)c(OC)c1 ZINC001237684261 1313692048 /nfs/dbraw/zinc/69/20/48/1313692048.db2.gz PLSUXEAUMOONFL-OAHLLOKOSA-N 0 3 344.411 2.766 20 10 EFCDHN CCC1=NC2(CC[NH+](Cc3cc(Cl)cc(C)c3[O-])CC2)C(=O)N1C ZINC001237689277 1313692532 /nfs/dbraw/zinc/69/25/32/1313692532.db2.gz OLLMLNJNGHYAHF-UHFFFAOYSA-N 0 3 349.862 2.969 20 10 EFCDHN Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(N3CC([NH3+])C3)c2)c(C)c1 ZINC001237813891 1313711807 /nfs/dbraw/zinc/71/18/07/1313711807.db2.gz QYAPXUPOARLWAI-UHFFFAOYSA-N 0 3 345.468 2.560 20 10 EFCDHN Cc1cc(F)cc(CN2CCC(Oc3ncc(F)cn3)CC2)c1O ZINC001238067263 1313755114 /nfs/dbraw/zinc/75/51/14/1313755114.db2.gz MQRXPCJCVBMMQJ-UHFFFAOYSA-N 0 3 335.354 2.812 20 10 EFCDHN CC(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001018324549 1313813875 /nfs/dbraw/zinc/81/38/75/1313813875.db2.gz ITOBUHXNWCFGEY-IYBDPMFKSA-N 0 3 343.431 2.794 20 10 EFCDHN CCOC(=O)[C@@H]1CCC[C@@H]1NCc1cc(F)c(N(C)C)cc1F ZINC000862387913 1302361894 /nfs/dbraw/zinc/36/18/94/1302361894.db2.gz RZIQDPJAYSGKCU-DOMZBBRYSA-N 0 3 326.387 2.852 20 10 EFCDHN Cc1noc(NC(=O)[C@@]23C[C@@H]2C[N@H+](Cc2cc(F)ccc2[O-])C3)c1C ZINC001278248756 1313837795 /nfs/dbraw/zinc/83/77/95/1313837795.db2.gz OCOZHZKCOGRLPW-FZKQIMNGSA-N 0 3 345.374 2.597 20 10 EFCDHN Cc1noc(NC(=O)[C@@]23C[C@@H]2C[N@@H+](Cc2cc(F)ccc2[O-])C3)c1C ZINC001278248756 1313837796 /nfs/dbraw/zinc/83/77/96/1313837796.db2.gz OCOZHZKCOGRLPW-FZKQIMNGSA-N 0 3 345.374 2.597 20 10 EFCDHN COc1cc(Cl)cc(C[NH2+]C[C@H]2CCCN2CC(F)F)c1[O-] ZINC000862468803 1302391908 /nfs/dbraw/zinc/39/19/08/1302391908.db2.gz OXGCPHXOHMMXCF-GFCCVEGCSA-N 0 3 334.794 2.873 20 10 EFCDHN N[C@H]1CN(S(=O)(=O)c2ccc(/N=N/c3ccccc3)cc2)C[C@H]1F ZINC001238922442 1313883697 /nfs/dbraw/zinc/88/36/97/1313883697.db2.gz YURRYJINLBVFQS-ZUIHOSHSSA-N 0 3 348.403 2.772 20 10 EFCDHN CC[C@H]([NH2+]C1CCN(CCC(=O)N(C)C)CC1)c1ccc(C)cc1[O-] ZINC000794811241 1303142621 /nfs/dbraw/zinc/14/26/21/1303142621.db2.gz WJHPFPLHHWYDRR-SFHVURJKSA-N 0 3 347.503 2.684 20 10 EFCDHN C[C@@H]1CN(c2ccc(CNCc3ccc(=O)[nH]c3)cc2F)C[C@@H](C)O1 ZINC000865418365 1303247379 /nfs/dbraw/zinc/24/73/79/1303247379.db2.gz ILIKIENEYUBYIF-ZIAGYGMSSA-N 0 3 345.418 2.830 20 10 EFCDHN CN(C)c1ccc(CN(CCC(N)=O)Cc2ccccc2)cc1F ZINC000122095966 1304232757 /nfs/dbraw/zinc/23/27/57/1304232757.db2.gz ASPFJVMVNHQPHV-UHFFFAOYSA-N 0 3 329.419 2.769 20 10 EFCDHN CC(C)(C)OC(=O)N1CC(CN2CCCc3cc(O)c(O)cc3C2)C1 ZINC001208623837 1313983730 /nfs/dbraw/zinc/98/37/30/1313983730.db2.gz UKJYNXUUPHSSOL-UHFFFAOYSA-N 0 3 348.443 2.713 20 10 EFCDHN CCC(=O)C(C)(C)CN1CCN(c2ccc(OCCOC)cc2)CC1 ZINC001208921467 1314047311 /nfs/dbraw/zinc/04/73/11/1314047311.db2.gz KGLYDZLOCOCOPW-UHFFFAOYSA-N 0 3 348.487 2.839 20 10 EFCDHN Cc1ccc(C)n1-c1ccc(CN2CCO[C@@H](CN(C)C)C2)cc1 ZINC001209516452 1314178574 /nfs/dbraw/zinc/17/85/74/1314178574.db2.gz GYSNBHYACFYRSO-FQEVSTJZSA-N 0 3 327.472 2.857 20 10 EFCDHN Cc1ccc(C)c(CN2CC[C@@H]3C[C@@]32C(=O)N2CCCCO2)c1O ZINC001278357446 1314255834 /nfs/dbraw/zinc/25/58/34/1314255834.db2.gz JERABVYJGNCWBF-BEFAXECRSA-N 0 3 330.428 2.527 20 10 EFCDHN C[C@H](F)CCN1CCC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001009672617 1308604477 /nfs/dbraw/zinc/60/44/77/1308604477.db2.gz MIPLOQZOQNIZBU-WFASDCNBSA-N 0 3 349.410 2.791 20 10 EFCDHN COc1cccc([O-])c1C[NH2+][C@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000800902060 1308648573 /nfs/dbraw/zinc/64/85/73/1308648573.db2.gz TUKNQIBHLCPORL-HNNXBMFYSA-N 0 3 341.411 2.797 20 10 EFCDHN CCCC[N@H+](Cc1cc(=O)n2nccc2[nH]1)Cc1ccccc1[O-] ZINC000801595496 1310571589 /nfs/dbraw/zinc/57/15/89/1310571589.db2.gz DPKWTGSBWJAJGF-UHFFFAOYSA-N 0 3 326.400 2.531 20 10 EFCDHN CCCC[N@@H+](Cc1cc(=O)n2nccc2[nH]1)Cc1ccccc1[O-] ZINC000801595496 1310571595 /nfs/dbraw/zinc/57/15/95/1310571595.db2.gz DPKWTGSBWJAJGF-UHFFFAOYSA-N 0 3 326.400 2.531 20 10 EFCDHN CCCC[N@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)NC(=O)NCC(C)C ZINC000801595344 1310571738 /nfs/dbraw/zinc/57/17/38/1310571738.db2.gz MCRLZSDXXYGRGM-HNNXBMFYSA-N 0 3 349.475 2.865 20 10 EFCDHN CCCC[N@@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)NC(=O)NCC(C)C ZINC000801595344 1310571742 /nfs/dbraw/zinc/57/17/42/1310571742.db2.gz MCRLZSDXXYGRGM-HNNXBMFYSA-N 0 3 349.475 2.865 20 10 EFCDHN CCCC[N@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)N1CCN(CC)CC1 ZINC000801597498 1310574798 /nfs/dbraw/zinc/57/47/98/1310574798.db2.gz IKGHAKAIJDZEBS-KRWDZBQOSA-N 0 3 347.503 2.547 20 10 EFCDHN CCCC[N@@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)N1CCN(CC)CC1 ZINC000801597498 1310574805 /nfs/dbraw/zinc/57/48/05/1310574805.db2.gz IKGHAKAIJDZEBS-KRWDZBQOSA-N 0 3 347.503 2.547 20 10 EFCDHN Cc1cc(CN2CC[C@]3(CCC[NH2+]3)C2)c([O-])cc1Br ZINC001222477617 1311138471 /nfs/dbraw/zinc/13/84/71/1311138471.db2.gz OCXFFHTZEBLJDY-OAHLLOKOSA-N 0 3 325.250 2.791 20 10 EFCDHN [O-]c1cc(Cl)c(Cl)cc1CN1CC[NH2+]C[C@@]2(CCCCN2)C1 ZINC001222692952 1311173723 /nfs/dbraw/zinc/17/37/23/1311173723.db2.gz SEGCMJIKMMLKCA-INIZCTEOSA-N 0 3 344.286 2.617 20 10 EFCDHN [O-]c1ccc(Cl)c(Cl)c1CN1CC[NH2+]C[C@@]2(CCCCN2)C1 ZINC001222693132 1311173965 /nfs/dbraw/zinc/17/39/65/1311173965.db2.gz UWKYASMMLIOHNC-INIZCTEOSA-N 0 3 344.286 2.617 20 10 EFCDHN COc1ccc(N2CCC[C@]3(CCN(Cc4cn[nH]c4)C3)C2)cc1 ZINC001276925279 1311310559 /nfs/dbraw/zinc/31/05/59/1311310559.db2.gz ZVXIDLDYBYBOCR-LJQANCHMSA-N 0 3 326.444 2.911 20 10 EFCDHN CCOc1ccc(N2CC[C@H]3[C@@H]2CCN3Cc2cc(C)nn2C)cc1 ZINC001276925989 1311311420 /nfs/dbraw/zinc/31/14/20/1311311420.db2.gz LEXOEBMGUJDAIC-PMACEKPBSA-N 0 3 340.471 2.980 20 10 EFCDHN CCN(CC)c1ccc(CN2CC[C@H]3C[C@]32C(=O)N2CC=CC2)cc1 ZINC001276966761 1311380973 /nfs/dbraw/zinc/38/09/73/1311380973.db2.gz CTYUUDIYQWZZBD-GHTZIAJQSA-N 0 3 339.483 2.896 20 10 EFCDHN CNc1ccccc1CNCc1ccc(N2CCOCC2)c(F)c1 ZINC000902077190 1311392917 /nfs/dbraw/zinc/39/29/17/1311392917.db2.gz DRBSCKMLUXEAKB-UHFFFAOYSA-N 0 3 329.419 2.994 20 10 EFCDHN COc1ccc(N2CC3(C2)CCN(Cc2ccc[nH]2)C3)c(OC)c1 ZINC001276995068 1311431579 /nfs/dbraw/zinc/43/15/79/1311431579.db2.gz WMCKNQFUSXRKLD-UHFFFAOYSA-N 0 3 327.428 2.744 20 10 EFCDHN O=C(NC1CCC(F)CC1)[C@]12C[C@H]1CCN2Cc1ccccc1O ZINC001277440800 1312174669 /nfs/dbraw/zinc/17/46/69/1312174669.db2.gz FLZNNRAQFWPRBW-XTUQQUOLSA-N 0 3 332.419 2.754 20 10 EFCDHN CCN(C(=O)[C@@H]1CCSC12CN(Cc1ccccc1O)C2)C(C)C ZINC001277442236 1312177727 /nfs/dbraw/zinc/17/77/27/1312177727.db2.gz UMZBGGHFCFVKLI-INIZCTEOSA-N 0 3 348.512 2.957 20 10 EFCDHN O=C(NCC(F)F)[C@H]1CCC[C@]12CC[N@@H+](Cc1ccccc1[O-])C2 ZINC001277442244 1312178219 /nfs/dbraw/zinc/17/82/19/1312178219.db2.gz UVZAFNQURLHCSW-RDTXWAMCSA-N 0 3 338.398 2.766 20 10 EFCDHN O=C(NCC(F)F)[C@H]1CCC[C@]12CC[N@H+](Cc1ccccc1[O-])C2 ZINC001277442244 1312178220 /nfs/dbraw/zinc/17/82/20/1312178220.db2.gz UVZAFNQURLHCSW-RDTXWAMCSA-N 0 3 338.398 2.766 20 10 EFCDHN O=C(Nc1cn[nH]c1)[C@@H]1CCC[C@]12CC[N@@H+](Cc1ccccc1[O-])C2 ZINC001277442779 1312179512 /nfs/dbraw/zinc/17/95/12/1312179512.db2.gz ZSIDHFGXXGEWJQ-QFBILLFUSA-N 0 3 340.427 2.746 20 10 EFCDHN O=C(Nc1cn[nH]c1)[C@@H]1CCC[C@]12CC[N@H+](Cc1ccccc1[O-])C2 ZINC001277442779 1312179514 /nfs/dbraw/zinc/17/95/14/1312179514.db2.gz ZSIDHFGXXGEWJQ-QFBILLFUSA-N 0 3 340.427 2.746 20 10 EFCDHN O=C([C@@H]1CCC[C@]12CC[N@@H+](Cc1ccccc1[O-])C2)N1CC=CC1 ZINC001277446334 1312191889 /nfs/dbraw/zinc/19/18/89/1312191889.db2.gz OECWULUONYTHNN-FXAWDEMLSA-N 0 3 326.440 2.783 20 10 EFCDHN O=C([C@@H]1CCC[C@]12CC[N@H+](Cc1ccccc1[O-])C2)N1CC=CC1 ZINC001277446334 1312191893 /nfs/dbraw/zinc/19/18/93/1312191893.db2.gz OECWULUONYTHNN-FXAWDEMLSA-N 0 3 326.440 2.783 20 10 EFCDHN CCN(C(=O)[C@]12C[C@H]1CCN2Cc1cccc(OC)c1O)C(C)C ZINC001277452301 1312215929 /nfs/dbraw/zinc/21/59/29/1312215929.db2.gz RPZPLHVNCDRXAN-BEFAXECRSA-N 0 3 332.444 2.622 20 10 EFCDHN COc1ccc(C[NH+]2CCC3(C[C@@H]3C(=O)NC(C)(C)C)CC2)c([O-])c1 ZINC001277454603 1312230846 /nfs/dbraw/zinc/23/08/46/1312230846.db2.gz WOKSUUMYRAIVBG-MRXNPFEDSA-N 0 3 346.471 2.918 20 10 EFCDHN COc1ccc(CN2CC[C@@H]3C[C@@]32C(=O)N2CCCC23CC3)c(O)c1 ZINC001277456963 1312247070 /nfs/dbraw/zinc/24/70/70/1312247070.db2.gz KUIFQDHDFQOOBD-QRWLVFNGSA-N 0 3 342.439 2.520 20 10 EFCDHN COc1cc(N(C)C)ccc1CN1CC2(CCN2C2CCCC2)C1 ZINC001276368316 1312480046 /nfs/dbraw/zinc/48/00/46/1312480046.db2.gz KMJGAYMOVRSOCM-UHFFFAOYSA-N 0 3 329.488 2.964 20 10 EFCDHN CN(C)C(=O)CC[N@H+](C)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC001231469578 1312506010 /nfs/dbraw/zinc/50/60/10/1312506010.db2.gz ILEGLLKVQSZSJQ-UHFFFAOYSA-N 0 3 342.439 2.881 20 10 EFCDHN CN(C)C(=O)CC[N@@H+](C)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC001231469578 1312506012 /nfs/dbraw/zinc/50/60/12/1312506012.db2.gz ILEGLLKVQSZSJQ-UHFFFAOYSA-N 0 3 342.439 2.881 20 10 EFCDHN Cc1cnc(N2CC[NH+](Cc3c([O-])ccc4ccccc43)CC2)nc1 ZINC001231589607 1312528601 /nfs/dbraw/zinc/52/86/01/1312528601.db2.gz MNGSLUVQSQYMOS-UHFFFAOYSA-N 0 3 334.423 2.966 20 10 EFCDHN Cc1cccc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)c1O ZINC001231591051 1312528984 /nfs/dbraw/zinc/52/89/84/1312528984.db2.gz REMBDEQMLQESAJ-UHFFFAOYSA-N 0 3 340.423 2.747 20 10 EFCDHN COc1cc(CN2CCC(Oc3cccnc3)CC2)c(O)cc1O ZINC001231636002 1312536956 /nfs/dbraw/zinc/53/69/56/1312536956.db2.gz NSYHQPZPPXGQGB-UHFFFAOYSA-N 0 3 330.384 2.545 20 10 EFCDHN COc1cc(CN2CCC[C@@H](C(=O)OC(C)(C)C)C2)c(O)cc1O ZINC001231636023 1312537021 /nfs/dbraw/zinc/53/70/21/1312537021.db2.gz OMHXGAVERXAPPV-GFCCVEGCSA-N 0 3 337.416 2.660 20 10 EFCDHN CCCc1noc(C2CCN(Cc3cc(OC)c(O)cc3O)CC2)n1 ZINC001231637440 1312537372 /nfs/dbraw/zinc/53/73/72/1312537372.db2.gz MQLOUCXETGEYDI-UHFFFAOYSA-N 0 3 347.415 2.822 20 10 EFCDHN COc1cc(CN2CCC[C@H](Oc3ccncc3)C2)c(O)cc1O ZINC001231640169 1312537955 /nfs/dbraw/zinc/53/79/55/1312537955.db2.gz PRLOWASCXGDOIM-HNNXBMFYSA-N 0 3 330.384 2.545 20 10 EFCDHN COc1cc(CN2CC[C@H](CC(=O)OC(C)(C)C)C2)c(O)cc1O ZINC001231639279 1312538122 /nfs/dbraw/zinc/53/81/22/1312538122.db2.gz NTUDCUZDOFDCTF-GFCCVEGCSA-N 0 3 337.416 2.660 20 10 EFCDHN Cc1ccc(C[NH+]2CCC3(C[C@@H]3C(=O)N3CCCCO3)CC2)c([O-])c1 ZINC001277566438 1312565705 /nfs/dbraw/zinc/56/57/05/1312565705.db2.gz HUWWLGZMVNYWNO-QGZVFWFLSA-N 0 3 344.455 2.857 20 10 EFCDHN Cc1ccc(CN2CC3(C[C@H]3C(=O)N3CCCC34CC4)C2)c(O)c1 ZINC001277569197 1312568574 /nfs/dbraw/zinc/56/85/74/1312568574.db2.gz YCIMVOJOKJSCBL-INIZCTEOSA-N 0 3 326.440 2.678 20 10 EFCDHN CCOC[C@@H]1CN(Cc2c(C)cc(C)cc2O)Cc2cn(C)nc21 ZINC001231844204 1312573535 /nfs/dbraw/zinc/57/35/35/1312573535.db2.gz JAFQNSUNTXRJFD-INIZCTEOSA-N 0 3 329.444 2.878 20 10 EFCDHN Cc1cc(C)c(CN2CCN(c3cc(C)nc(C)n3)CC2)c(O)c1 ZINC001231845720 1312573769 /nfs/dbraw/zinc/57/37/69/1312573769.db2.gz RDXFAUFSIZKZKN-UHFFFAOYSA-N 0 3 326.444 2.738 20 10 EFCDHN COc1cc(N(C)C)ccc1CN1CC[C@]2(C1)CCCCN2C(C)=O ZINC001231851624 1312574167 /nfs/dbraw/zinc/57/41/67/1312574167.db2.gz FKGRZAKYPRDLHN-FQEVSTJZSA-N 0 3 345.487 2.738 20 10 EFCDHN COc1cc(N(C)C)ccc1CN1CCC(c2ccn(C)n2)CC1 ZINC001231858105 1312575455 /nfs/dbraw/zinc/57/54/55/1312575455.db2.gz SPHKIDJFYOXZLZ-UHFFFAOYSA-N 0 3 328.460 2.874 20 10 EFCDHN COc1cnc(O[C@H]2CC[N@H+](Cc3cc(Cl)c(C)cc3[O-])C2)nc1 ZINC001231871956 1312578474 /nfs/dbraw/zinc/57/84/74/1312578474.db2.gz SELCNOFFTFUOEU-ZDUSSCGKSA-N 0 3 349.818 2.806 20 10 EFCDHN COc1cnc(O[C@H]2CC[N@@H+](Cc3cc(Cl)c(C)cc3[O-])C2)nc1 ZINC001231871956 1312578479 /nfs/dbraw/zinc/57/84/79/1312578479.db2.gz SELCNOFFTFUOEU-ZDUSSCGKSA-N 0 3 349.818 2.806 20 10 EFCDHN CC[C@@H]([NH2+]CC1(O)CCC2(CC1)OCCO2)c1ccc(C)cc1[O-] ZINC000903372598 1312608196 /nfs/dbraw/zinc/60/81/96/1312608196.db2.gz LHNPMVBRHNHTKS-MRXNPFEDSA-N 0 3 335.444 2.790 20 10 EFCDHN C[C@H]1CCN(Cc2ccc(N3CCOCC3)c(Cl)c2)CC[C@@H]1O ZINC001232195190 1312646021 /nfs/dbraw/zinc/64/60/21/1312646021.db2.gz RIRPGZZGIAADPC-KSSFIOAISA-N 0 3 338.879 2.769 20 10 EFCDHN Clc1cc(CN2CCC3(CCO3)CC2)ccc1N1CCOCC1 ZINC001232200214 1312646794 /nfs/dbraw/zinc/64/67/94/1312646794.db2.gz QEYXXSSOPOSLTO-UHFFFAOYSA-N 0 3 336.863 2.932 20 10 EFCDHN Clc1cc(CN2CC[C@H]3OCC[C@@H]3C2)ccc1N1CCOCC1 ZINC001232199324 1312647340 /nfs/dbraw/zinc/64/73/40/1312647340.db2.gz FNASXLUGYPDNIG-CRAIPNDOSA-N 0 3 336.863 2.787 20 10 EFCDHN O=C1CCC[C@@H]2CN(Cc3ccc(N4CCOCC4)c(Cl)c3)C[C@@H]12 ZINC001232204345 1312648941 /nfs/dbraw/zinc/64/89/41/1312648941.db2.gz LIUUDTCMNDVBCW-HZPDHXFCSA-N 0 3 348.874 2.978 20 10 EFCDHN CN(Cc1ccc2n1CCC2)Cc1ccc(N2CCOCC2)cc1 ZINC001248823293 1314975702 /nfs/dbraw/zinc/97/57/02/1314975702.db2.gz QUMUHERIVYCMRY-UHFFFAOYSA-N 0 3 325.456 2.903 20 10 EFCDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@](CF)(C(F)(F)F)C2)c([O-])c1 ZINC001249171934 1315028316 /nfs/dbraw/zinc/02/83/16/1315028316.db2.gz HMCNUNQLKGVZEQ-OAHLLOKOSA-N 0 3 349.324 2.832 20 10 EFCDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@](CF)(C(F)(F)F)C2)c([O-])c1 ZINC001249171934 1315028320 /nfs/dbraw/zinc/02/83/20/1315028320.db2.gz HMCNUNQLKGVZEQ-OAHLLOKOSA-N 0 3 349.324 2.832 20 10 EFCDHN CC[N@@H+](Cc1ccc(CC(=O)OC)cc1[O-])Cc1ccccc1O ZINC001249215275 1315033828 /nfs/dbraw/zinc/03/38/28/1315033828.db2.gz ZAPCOJCSCBFPPN-UHFFFAOYSA-N 0 3 329.396 2.835 20 10 EFCDHN CC[N@H+](Cc1ccc(CC(=O)OC)cc1[O-])Cc1ccccc1O ZINC001249215275 1315033832 /nfs/dbraw/zinc/03/38/32/1315033832.db2.gz ZAPCOJCSCBFPPN-UHFFFAOYSA-N 0 3 329.396 2.835 20 10 EFCDHN CC1(C)C=Cc2c([O-])c(C[NH+]3CCC4(CC(=O)CO4)CC3)ccc2O1 ZINC001249230787 1315036065 /nfs/dbraw/zinc/03/60/65/1315036065.db2.gz URIVIRBNSKTGFK-UHFFFAOYSA-N 0 3 343.423 2.900 20 10 EFCDHN COc1cc(OC)cc(-c2noc(C[C@@H]([NH3+])c3ccccc3[O-])n2)c1 ZINC001249340027 1315056339 /nfs/dbraw/zinc/05/63/39/1315056339.db2.gz RKNWFIFAKRIXFT-OAHLLOKOSA-N 0 3 341.367 2.702 20 10 EFCDHN COc1cc(F)ccc1-c1noc(C[C@@H]([NH3+])c2ccccc2[O-])n1 ZINC001249338766 1315056364 /nfs/dbraw/zinc/05/63/64/1315056364.db2.gz BAEWONVXOVAVFT-CYBMUJFWSA-N 0 3 329.331 2.832 20 10 EFCDHN COc1cc(F)c(-c2noc(C[C@@H]([NH3+])c3ccccc3[O-])n2)cc1F ZINC001249338797 1315056382 /nfs/dbraw/zinc/05/63/82/1315056382.db2.gz COWDIGMXMKKPQJ-CYBMUJFWSA-N 0 3 347.321 2.972 20 10 EFCDHN O=C1c2cccc(O[C@@H]3CCC[NH2+]CC3)c2C(=O)c2cccc([O-])c21 ZINC001217995270 1315130265 /nfs/dbraw/zinc/13/02/65/1315130265.db2.gz GCLXOGIRDQQAHO-GFCCVEGCSA-N 0 3 337.375 2.689 20 10 EFCDHN C[C@H]1C[C@H](Oc2cccc3c2C(=O)c2cccc([O-])c2C3=O)CC[NH2+]1 ZINC001218062386 1315140778 /nfs/dbraw/zinc/14/07/78/1315140778.db2.gz SWFMDSJCPFPJFQ-NWDGAFQWSA-N 0 3 337.375 2.687 20 10 EFCDHN Cc1cc(CN2CC[C@H](O)[C@@H](F)CC2)c(O)cc1Br ZINC001250120519 1315174755 /nfs/dbraw/zinc/17/47/55/1315174755.db2.gz GYXFYQZFIHXWRW-STQMWFEESA-N 0 3 332.213 2.758 20 10 EFCDHN COC(=O)CC[N@H+](Cc1cc(C)c(Br)cc1[O-])C1CC1 ZINC001250134254 1315177317 /nfs/dbraw/zinc/17/73/17/1315177317.db2.gz XTDDMLBGVRCGOS-UHFFFAOYSA-N 0 3 342.233 2.991 20 10 EFCDHN COC(=O)CC[N@@H+](Cc1cc(C)c(Br)cc1[O-])C1CC1 ZINC001250134254 1315177319 /nfs/dbraw/zinc/17/73/19/1315177319.db2.gz XTDDMLBGVRCGOS-UHFFFAOYSA-N 0 3 342.233 2.991 20 10 EFCDHN CC[N@H+]1C[C@H]2CN(Cc3cc(C)c(Br)cc3[O-])C[C@H]2C1 ZINC001250136231 1315178042 /nfs/dbraw/zinc/17/80/42/1315178042.db2.gz OQQRVLOSOZBHSR-OKILXGFUSA-N 0 3 339.277 2.847 20 10 EFCDHN CC[N@@H+]1C[C@H]2CN(Cc3cc(C)c(Br)cc3[O-])C[C@H]2C1 ZINC001250136231 1315178043 /nfs/dbraw/zinc/17/80/43/1315178043.db2.gz OQQRVLOSOZBHSR-OKILXGFUSA-N 0 3 339.277 2.847 20 10 EFCDHN COc1c(C)c(O[C@H]2CN[C@@H]2C)cc2c1C(=O)c1ccccc1C2=O ZINC001218384286 1315187177 /nfs/dbraw/zinc/18/71/77/1315187177.db2.gz IZVRELUVYUGIEL-BZNIZROVSA-N 0 3 337.375 2.518 20 10 EFCDHN O=C1c2cccc([O-])c2C(=O)c2c(O[C@H]3C[NH2+]CCC34CC4)cccc21 ZINC001218400482 1315189854 /nfs/dbraw/zinc/18/98/54/1315189854.db2.gz WQUXUZQHPHGCCM-INIZCTEOSA-N 0 3 349.386 2.689 20 10 EFCDHN C[C@H]1C[NH2+]CC[C@@H]1Oc1cccc2c1C(=O)c1cccc([O-])c1C2=O ZINC001218414423 1315192485 /nfs/dbraw/zinc/19/24/85/1315192485.db2.gz KWJPWIVBKFQROQ-NHYWBVRUSA-N 0 3 337.375 2.544 20 10 EFCDHN N=c1ccc(/N=N/c2ccccc2)c(N)n1C(=O)[C@@H]1C[C@@H](F)CCN1 ZINC001218581861 1315217534 /nfs/dbraw/zinc/21/75/34/1315217534.db2.gz PCJHTRPKYMKECF-HTCZVNBUSA-N 0 3 342.378 2.695 20 10 EFCDHN CCc1ccc(C[N@@H+]2CCCC3(CN(C(=O)NC(C)C)C3)C2)c([O-])c1 ZINC001276805574 1315318994 /nfs/dbraw/zinc/31/89/94/1315318994.db2.gz YHIVGXRSVMLTGQ-UHFFFAOYSA-N 0 3 345.487 2.970 20 10 EFCDHN CCc1ccc(C[N@H+]2CCCC3(CN(C(=O)NC(C)C)C3)C2)c([O-])c1 ZINC001276805574 1315318998 /nfs/dbraw/zinc/31/89/98/1315318998.db2.gz YHIVGXRSVMLTGQ-UHFFFAOYSA-N 0 3 345.487 2.970 20 10 EFCDHN N[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NCc1ccccc1O ZINC001219923598 1315356575 /nfs/dbraw/zinc/35/65/75/1315356575.db2.gz STHGJZBSOUIBTR-CQSZACIVSA-N 0 3 338.329 2.597 20 10 EFCDHN C[C@H]1[NH2+]CCC[C@H]1C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001220212871 1315385696 /nfs/dbraw/zinc/38/56/96/1315385696.db2.gz ZNJJWCZVQHWXHQ-ZYHUDNBSSA-N 0 3 333.819 2.598 20 10 EFCDHN CC(C)c1ccc(CN2CC3(CCN3CCn3ccnc3)C2)c(O)c1 ZINC001276815025 1315436722 /nfs/dbraw/zinc/43/67/22/1315436722.db2.gz NXZXPHRESONCPA-UHFFFAOYSA-N 0 3 340.471 2.672 20 10 EFCDHN CC(C)(O)CN1CCN(c2ccc(OCc3cccnc3)cc2)CC1 ZINC001252356845 1315438335 /nfs/dbraw/zinc/43/83/35/1315438335.db2.gz LPGJBDXIEIQGSA-UHFFFAOYSA-N 0 3 341.455 2.554 20 10 EFCDHN CC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)COc1ccc(OC)cc1 ZINC001252719567 1315493308 /nfs/dbraw/zinc/49/33/08/1315493308.db2.gz ZEIQCCSJKXKYEI-MRXNPFEDSA-N 0 3 331.412 2.663 20 10 EFCDHN CC[N@H+](Cc1ccccc1[O-])C[C@@H](O)COc1ccc(OC)cc1 ZINC001252719567 1315493310 /nfs/dbraw/zinc/49/33/10/1315493310.db2.gz ZEIQCCSJKXKYEI-MRXNPFEDSA-N 0 3 331.412 2.663 20 10 EFCDHN CCOc1ccc(C[N@@H+]2CCCN(Cc3cc(C)on3)CC2)c([O-])c1 ZINC001254004883 1315665004 /nfs/dbraw/zinc/66/50/04/1315665004.db2.gz PSBRXRQIRKGAKT-UHFFFAOYSA-N 0 3 345.443 2.795 20 10 EFCDHN CCOc1ccc(C[N@H+]2CCCN(Cc3cc(C)on3)CC2)c([O-])c1 ZINC001254004883 1315665006 /nfs/dbraw/zinc/66/50/06/1315665006.db2.gz PSBRXRQIRKGAKT-UHFFFAOYSA-N 0 3 345.443 2.795 20 10 EFCDHN C[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C(=O)C1)c1ccccc1[O-] ZINC001254234847 1315685990 /nfs/dbraw/zinc/68/59/90/1315685990.db2.gz MKVYBABETQLMNI-STQMWFEESA-N 0 3 334.416 2.969 20 10 EFCDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NCc2ccc(N)cc2)C1 ZINC001262597238 1316474681 /nfs/dbraw/zinc/47/46/81/1316474681.db2.gz JFXFWEAUFWDKQW-BEFAXECRSA-N 0 3 338.455 2.904 20 10 EFCDHN Cc1cc(CNCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)n[nH]1 ZINC001318620354 1328653721 /nfs/dbraw/zinc/65/37/21/1328653721.db2.gz AEGJBCNCOFZOPA-OKILXGFUSA-N 0 3 332.423 2.761 20 10 EFCDHN CC[C@]1(CO)CCCN(Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001320487827 1329143829 /nfs/dbraw/zinc/14/38/29/1329143829.db2.gz WEKKUORPQMUILZ-FQEVSTJZSA-N 0 3 349.494 2.562 20 10 EFCDHN O=C1NCCCN1C1CCN(Cc2ccc(N3CCCC3)cc2)CC1 ZINC001324750319 1329655883 /nfs/dbraw/zinc/65/58/83/1329655883.db2.gz HNOAGAXQEZGACL-UHFFFAOYSA-N 0 3 342.487 2.667 20 10 EFCDHN COC[C@@H]1CCCCN1Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001326450674 1329758016 /nfs/dbraw/zinc/75/80/16/1329758016.db2.gz AXHXKSICNMDWEQ-KRWDZBQOSA-N 0 3 335.467 2.578 20 10 EFCDHN CN(C)c1cc(F)c(CNC[C@@H](CO)CC2CCOCC2)cc1F ZINC001328772550 1330630123 /nfs/dbraw/zinc/63/01/23/1330630123.db2.gz UTHNVRDNJMEACZ-AWEZNQCLSA-N 0 3 342.430 2.546 20 10 EFCDHN COCCC1CCN(Cc2ccc(N3CCN(C)CC3)c(F)c2)CC1 ZINC001329160144 1330674826 /nfs/dbraw/zinc/67/48/26/1330674826.db2.gz BCMCKQGLDOLXNQ-UHFFFAOYSA-N 0 3 349.494 2.826 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=O)N2CC3(C2)CCCC3)N(C)C)cc1 ZINC001335582626 1331376948 /nfs/dbraw/zinc/37/69/48/1331376948.db2.gz NKRROUAUAWSKCJ-GOSISDBHSA-N 0 3 344.503 2.941 20 10 EFCDHN CCn1cc(CNCc2ccc(N3CCC(CO)CC3)cc2)c(C)n1 ZINC001336708180 1331494559 /nfs/dbraw/zinc/49/45/59/1331494559.db2.gz YTKZDRRKEIEKLU-UHFFFAOYSA-N 0 3 342.487 2.710 20 10 EFCDHN Nc1ccc(CNC(=O)NC[C@@H](c2ccccc2)N2CCCC2)cc1 ZINC001336734704 1331498046 /nfs/dbraw/zinc/49/80/46/1331498046.db2.gz CJAYVDQMPTTYAM-IBGZPJMESA-N 0 3 338.455 2.905 20 10 EFCDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCc1ccc(N)cc1 ZINC001338580606 1331717889 /nfs/dbraw/zinc/71/78/89/1331717889.db2.gz AUPSQVBNZKDCRA-KXBFYZLASA-N 0 3 338.455 2.589 20 10 EFCDHN C[C@H](NC(=O)NCc1ccc(N)cc1)[C@@H](c1ccccc1)N(C)C ZINC001346440863 1332640862 /nfs/dbraw/zinc/64/08/62/1332640862.db2.gz LPDUMMSOVBHSAX-KSSFIOAISA-N 0 3 326.444 2.759 20 10 EFCDHN C[C@H](NC(=O)NCc1ccc(N)cc1)[C@H](c1ccccc1)N(C)C ZINC001346440845 1332641029 /nfs/dbraw/zinc/64/10/29/1332641029.db2.gz LPDUMMSOVBHSAX-KBXCAEBGSA-N 0 3 326.444 2.759 20 10 EFCDHN CCn1cc([C@@H](C)NCc2ccc(N3CCN(C)CC3)c(F)c2)cn1 ZINC001347792671 1332774078 /nfs/dbraw/zinc/77/40/78/1332774078.db2.gz BZCKRZCLMLREPX-OAHLLOKOSA-N 0 3 345.466 2.645 20 10 EFCDHN COc1ccc(CNCc2cccc([N+](=O)[O-])c2C)c(O)c1OC ZINC001352023335 1333356447 /nfs/dbraw/zinc/35/64/47/1333356447.db2.gz UUEAXIHTYYPVNT-UHFFFAOYSA-N 0 3 332.356 2.916 20 10 EFCDHN C[C@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)n1cccc1 ZINC001352167232 1333412026 /nfs/dbraw/zinc/41/20/26/1333412026.db2.gz IZWZUQAXJKTUBA-QAPCUYQASA-N 0 3 328.460 2.534 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)N2CC3CCC2CC3)N(C)C)cc1 ZINC001355381491 1334762343 /nfs/dbraw/zinc/76/23/43/1334762343.db2.gz RZJLZSJITMICEF-PPSBMQLTSA-N 0 3 344.503 2.939 20 10 EFCDHN CCc1cccc(CN(C)[C@H](C)c2cccc(S(N)(=O)=O)c2)c1O ZINC000848883206 1334960364 /nfs/dbraw/zinc/96/03/64/1334960364.db2.gz KUICBBQEOZEQDQ-CYBMUJFWSA-N 0 3 348.468 2.795 20 10 EFCDHN COc1cc(Br)cc(C[N@@H+](C[C@@H](C)O)C2CC2)c1[O-] ZINC000848928885 1334994229 /nfs/dbraw/zinc/99/42/29/1334994229.db2.gz PVWFSRMOAZIPKU-SECBINFHSA-N 0 3 330.222 2.509 20 10 EFCDHN COc1cc(Br)cc(C[N@H+](C[C@@H](C)O)C2CC2)c1[O-] ZINC000848928885 1334994226 /nfs/dbraw/zinc/99/42/26/1334994226.db2.gz PVWFSRMOAZIPKU-SECBINFHSA-N 0 3 330.222 2.509 20 10 EFCDHN CN(C)CCN(CC1CCCCC1)C(=O)NCc1ccc(N)cc1 ZINC001357791489 1335333673 /nfs/dbraw/zinc/33/36/73/1335333673.db2.gz NCCSUEIDWXAXFW-UHFFFAOYSA-N 0 3 332.492 2.922 20 10 EFCDHN Cc1ccc(C(=O)NC[C@H](c2ccccc2)N2CCCC2)c(O)c1O ZINC000177660248 713893524 /nfs/dbraw/zinc/89/35/24/713893524.db2.gz SOJLVNZIKNIQKB-QGZVFWFLSA-N 0 3 340.423 2.973 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)c2c[nH]cc2C2CC2)N(C)C)cc1 ZINC000891243913 714127746 /nfs/dbraw/zinc/12/77/46/714127746.db2.gz VTEUZBPBXYZSQJ-IBGZPJMESA-N 0 3 340.471 2.991 20 10 EFCDHN CSCC(C)(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891246625 714133945 /nfs/dbraw/zinc/13/39/45/714133945.db2.gz CNSZVWCWNGISKO-INIZCTEOSA-N 0 3 337.533 2.861 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=O)N(C)CC(F)(F)F)N(C)C)cc1 ZINC000891249305 714137834 /nfs/dbraw/zinc/13/78/34/714137834.db2.gz QMYBMCWWQIXKLZ-CQSZACIVSA-N 0 3 346.397 2.559 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CCC(F)(F)C2)N(C)C)cc1 ZINC000891249774 714139322 /nfs/dbraw/zinc/13/93/22/714139322.db2.gz WPVJFVJACLZZPO-GDBMZVCRSA-N 0 3 339.430 2.907 20 10 EFCDHN CC[C@@H]1C[C@H](C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)CCO1 ZINC000891249889 714139498 /nfs/dbraw/zinc/13/94/98/714139498.db2.gz XNZUOKSYVAVFBG-QRQLOZEOSA-N 0 3 347.503 2.677 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=O)C=C2CCSCC2)N(C)C)cc1 ZINC000891248969 714140100 /nfs/dbraw/zinc/14/01/00/714140100.db2.gz ONIVOSHWARJIBA-GOSISDBHSA-N 0 3 347.528 2.925 20 10 EFCDHN CC(C)OCCCC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891249111 714140381 /nfs/dbraw/zinc/14/03/81/714140381.db2.gz QAXWSVANJBRGCN-GOSISDBHSA-N 0 3 335.492 2.677 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)[C@]2(C)CC2(F)F)N(C)C)cc1 ZINC000891250610 714140482 /nfs/dbraw/zinc/14/04/82/714140482.db2.gz YFVGXIOVPKKFCF-HOCLYGCPSA-N 0 3 325.403 2.517 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)c2cccc(Cl)n2)N(C)C)cc1 ZINC000891252146 714142739 /nfs/dbraw/zinc/14/27/39/714142739.db2.gz HBDKBOFKEOJBIT-INIZCTEOSA-N 0 3 346.862 2.834 20 10 EFCDHN CC1=C(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)CCCO1 ZINC000891252866 714146382 /nfs/dbraw/zinc/14/63/82/714146382.db2.gz OGQUSGMTMGJWQV-GOSISDBHSA-N 0 3 331.460 2.556 20 10 EFCDHN C[C@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1ccco1 ZINC000891254012 714147935 /nfs/dbraw/zinc/14/79/35/714147935.db2.gz VKIRFSMNBJIZBW-YOEHRIQHSA-N 0 3 329.444 2.868 20 10 EFCDHN Cc1ncc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)s1 ZINC000891255954 714150656 /nfs/dbraw/zinc/15/06/56/714150656.db2.gz UAHSNZTWTNSABV-HNNXBMFYSA-N 0 3 332.473 2.550 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)c2cccnc2Cl)N(C)C)cc1 ZINC000891256851 714151002 /nfs/dbraw/zinc/15/10/02/714151002.db2.gz APJSTFUTGNSBSI-INIZCTEOSA-N 0 3 346.862 2.834 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)/C=C\c2ccco2)N(C)C)cc1 ZINC000891258115 714152185 /nfs/dbraw/zinc/15/21/85/714152185.db2.gz NREUJMIXAISXTF-JYBLJSLWSA-N 0 3 327.428 2.778 20 10 EFCDHN CN(C)[C@H]1Cc2ccccc2N(C(=O)/C=C\c2cncc(F)c2)C1 ZINC000255232614 714396724 /nfs/dbraw/zinc/39/67/24/714396724.db2.gz WPFOFHYLJBFYHT-QWPQOLDESA-N 0 3 325.387 2.753 20 10 EFCDHN CCOc1cccc(CN2CCN(c3ccc(O)cc3)CC2)c1O ZINC000157901093 714744062 /nfs/dbraw/zinc/74/40/62/714744062.db2.gz VOKLGEGVRCIXEY-UHFFFAOYSA-N 0 3 328.412 2.819 20 10 EFCDHN COc1ccc([C@H](CO)N(C)Cc2ccc(OC)c(OC)c2O)cc1 ZINC000892044384 715232275 /nfs/dbraw/zinc/23/22/75/715232275.db2.gz IYIFTNDRADZGSW-INIZCTEOSA-N 0 3 347.411 2.583 20 10 EFCDHN COc1ccc(CN[C@@H](C[S@](C)=O)c2ccccc2)c(O)c1OC ZINC000893435709 715393998 /nfs/dbraw/zinc/39/39/98/715393998.db2.gz UUPWMZOZFOGCOE-OWJWWREXSA-N 0 3 349.452 2.619 20 10 EFCDHN COc1ccc(O)c([C@H](C)NCC(=O)NCc2cccc(C)c2)c1 ZINC000182412885 720127057 /nfs/dbraw/zinc/12/70/57/720127057.db2.gz DDZQWDHVZWPFLD-AWEZNQCLSA-N 0 3 328.412 2.676 20 10 EFCDHN C[C@H](NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)c1ccc[nH]1 ZINC000893898118 720144369 /nfs/dbraw/zinc/14/43/69/720144369.db2.gz PSZMMLOMNFYXRB-KBXCAEBGSA-N 0 3 343.475 2.744 20 10 EFCDHN C[C@@H](NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)c1ccc[nH]1 ZINC000893898121 720144646 /nfs/dbraw/zinc/14/46/46/720144646.db2.gz PSZMMLOMNFYXRB-RDTXWAMCSA-N 0 3 343.475 2.744 20 10 EFCDHN C[C@H](NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1ccc[nH]1 ZINC000893898120 720144660 /nfs/dbraw/zinc/14/46/60/720144660.db2.gz PSZMMLOMNFYXRB-KSSFIOAISA-N 0 3 343.475 2.744 20 10 EFCDHN COc1ccc([C@H](CO)N(C)Cc2cc(C)cc(OC)c2O)cc1 ZINC000894027636 720240008 /nfs/dbraw/zinc/24/00/08/720240008.db2.gz SBSJNYVLWFMNKY-KRWDZBQOSA-N 0 3 331.412 2.883 20 10 EFCDHN CCN1CCCN(Cc2c(O)ccc3ccc(OC)cc32)CC1=O ZINC000189214490 720593813 /nfs/dbraw/zinc/59/38/13/720593813.db2.gz YHLSMRUSFZDJKG-UHFFFAOYSA-N 0 3 328.412 2.608 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)NCCC(F)(F)F)N(C)C)cc1 ZINC000893338838 720785426 /nfs/dbraw/zinc/78/54/26/720785426.db2.gz SGOPBEZBNZGOBD-AWEZNQCLSA-N 0 3 346.397 2.607 20 10 EFCDHN COCC(=O)Nc1cccc(CNCc2cc(C)cc(OC)c2O)c1 ZINC000894165307 721019741 /nfs/dbraw/zinc/01/97/41/721019741.db2.gz PFVVMFPFQVARSQ-UHFFFAOYSA-N 0 3 344.411 2.584 20 10 EFCDHN COc1ccc(CNCc2cc(C)cc(OC)c2O)cc1[N+](=O)[O-] ZINC000894207178 721208112 /nfs/dbraw/zinc/20/81/12/721208112.db2.gz RWHFROYRAUTAPA-UHFFFAOYSA-N 0 3 332.356 2.916 20 10 EFCDHN CCN1CCN(c2ccc(CN[C@H](C)c3cn(C)cn3)cc2F)CC1 ZINC000924994762 722040991 /nfs/dbraw/zinc/04/09/91/722040991.db2.gz AISZGFBYASEDQD-OAHLLOKOSA-N 0 3 345.466 2.552 20 10 EFCDHN COC(=O)C[C@](C)(NCc1cc(C)cc(OC)c1O)c1ccncc1 ZINC000894491735 722756892 /nfs/dbraw/zinc/75/68/92/722756892.db2.gz REMCFVBIMFCOJO-IBGZPJMESA-N 0 3 344.411 2.672 20 10 EFCDHN COc1ccc(CN2CC3(CCC3)[C@H]2[C@H]2CCCO2)c(O)c1OC ZINC000894553964 722781102 /nfs/dbraw/zinc/78/11/02/722781102.db2.gz VYQJALXZBFZXJZ-CRAIPNDOSA-N 0 3 333.428 2.943 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)NCC2CC=CC2)N(C)C)cc1 ZINC000895962334 723068418 /nfs/dbraw/zinc/06/84/18/723068418.db2.gz YUACONXZJJBNIN-SFHVURJKSA-N 0 3 330.476 2.621 20 10 EFCDHN COc1ccc([C@H](NC(C)C)C(=O)NCc2ccccc2O)cc1 ZINC000896015760 723097060 /nfs/dbraw/zinc/09/70/60/723097060.db2.gz SJNXSSYFLCYOQG-SFHVURJKSA-N 0 3 328.412 2.756 20 10 EFCDHN Cc1ccc(CNC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)o1 ZINC000896124727 723143025 /nfs/dbraw/zinc/14/30/25/723143025.db2.gz HYDHSZZTOBOKNS-SFHVURJKSA-N 0 3 344.459 2.756 20 10 EFCDHN CCC[N@H+](Cc1ccc(OCC(N)=O)cc1)Cc1ccccc1[O-] ZINC000727830900 723186641 /nfs/dbraw/zinc/18/66/41/723186641.db2.gz UKXLXXDSZVKDRL-UHFFFAOYSA-N 0 3 328.412 2.669 20 10 EFCDHN CCC[N@@H+](Cc1ccc(OCC(N)=O)cc1)Cc1ccccc1[O-] ZINC000727830900 723186644 /nfs/dbraw/zinc/18/66/44/723186644.db2.gz UKXLXXDSZVKDRL-UHFFFAOYSA-N 0 3 328.412 2.669 20 10 EFCDHN CCN(C(=O)CNCc1cc(C)cc(OC)c1O)c1ccccc1 ZINC000896290126 723230745 /nfs/dbraw/zinc/23/07/45/723230745.db2.gz YFQNNANTTGGZKQ-UHFFFAOYSA-N 0 3 328.412 2.852 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)N[C@H]2CC23CCC3)N(C)C)cc1 ZINC000896318302 723251015 /nfs/dbraw/zinc/25/10/15/723251015.db2.gz FWPLXBACKPHZST-IRXDYDNUSA-N 0 3 330.476 2.597 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)N[C@@H]2CC23CCC3)N(C)C)cc1 ZINC000896318300 723251057 /nfs/dbraw/zinc/25/10/57/723251057.db2.gz FWPLXBACKPHZST-DLBZAZTESA-N 0 3 330.476 2.597 20 10 EFCDHN CN(C)c1ccc(CN2CC[C@H](C3OCCO3)C2)c(C(F)(F)F)c1 ZINC000896380844 723286187 /nfs/dbraw/zinc/28/61/87/723286187.db2.gz LYVUEAVTIRZIEB-ZDUSSCGKSA-N 0 3 344.377 2.966 20 10 EFCDHN CCN1CCC[C@@H]([NH2+]Cc2cc(Br)cc(C)c2[O-])C1=O ZINC000896732645 723454692 /nfs/dbraw/zinc/45/46/92/723454692.db2.gz AVYAJTDHTGAWIW-CYBMUJFWSA-N 0 3 341.249 2.564 20 10 EFCDHN Cc1cccc(CN[C@@H]2CCN(c3c(F)cccc3F)C2=O)c1O ZINC000895493128 724158805 /nfs/dbraw/zinc/15/88/05/724158805.db2.gz GNWMMKNMKWUSOX-OAHLLOKOSA-N 0 3 332.350 2.874 20 10 EFCDHN COc1ccc(O)c(CN[C@H]2CCN(c3c(F)cccc3F)C2=O)c1 ZINC000895494046 724159731 /nfs/dbraw/zinc/15/97/31/724159731.db2.gz VAQBXECDCADPMS-HNNXBMFYSA-N 0 3 348.349 2.574 20 10 EFCDHN COc1ccc(O)c(CN[C@@H]2CCN(c3c(F)cccc3F)C2=O)c1 ZINC000895494047 724159868 /nfs/dbraw/zinc/15/98/68/724159868.db2.gz VAQBXECDCADPMS-OAHLLOKOSA-N 0 3 348.349 2.574 20 10 EFCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@H]1CC(c2ccc3c(c2)CCO3)=NO1 ZINC000895507200 724166265 /nfs/dbraw/zinc/16/62/65/724166265.db2.gz CZPODRJLRLMDOX-MRXNPFEDSA-N 0 3 342.370 2.749 20 10 EFCDHN CCO/C=C/[C@](O)(CNCc1ccc(OC)c(C)c1)C(F)(F)F ZINC000895706808 724266194 /nfs/dbraw/zinc/26/61/94/724266194.db2.gz IMKHJFZJFHYVGK-KIUWMYQTSA-N 0 3 333.350 2.937 20 10 EFCDHN CCO/C=C\[C@](O)(CNCc1ccc(N(C)C)cc1)C(F)(F)F ZINC000895710423 724270469 /nfs/dbraw/zinc/27/04/69/724270469.db2.gz VFGNZCANAVQCCW-KVPUOBJLSA-N 0 3 332.366 2.686 20 10 EFCDHN CCO/C=C/[C@@](O)(CNCc1ccc2c(c1)CCCO2)C(F)(F)F ZINC000895718268 724278335 /nfs/dbraw/zinc/27/83/35/724278335.db2.gz LYJVYCXAAFNQJV-MNDMWVCDSA-N 0 3 345.361 2.945 20 10 EFCDHN CCO/C=C\[C@](O)(C[NH2+]Cc1ccc(OCC)cc1[O-])C(F)(F)F ZINC000895709218 724279846 /nfs/dbraw/zinc/27/98/46/724279846.db2.gz XXMORCRBZDYYDY-LZNQSLFOSA-N 0 3 349.349 2.724 20 10 EFCDHN CCOc1ccc(C[N@H+](CCO)Cc2ccc(OC)cc2)c([O-])c1 ZINC000895710066 724280414 /nfs/dbraw/zinc/28/04/14/724280414.db2.gz FLSPLQXHKYBMIV-UHFFFAOYSA-N 0 3 331.412 2.794 20 10 EFCDHN CCOc1ccc(C[N@@H+](CCO)Cc2ccc(OC)cc2)c([O-])c1 ZINC000895710066 724280418 /nfs/dbraw/zinc/28/04/18/724280418.db2.gz FLSPLQXHKYBMIV-UHFFFAOYSA-N 0 3 331.412 2.794 20 10 EFCDHN Cc1ccc(S(=O)(=O)C[C@@H](C)NCc2cc(C)ccc2O)cc1 ZINC000152735596 726236799 /nfs/dbraw/zinc/23/67/99/726236799.db2.gz VSSUMQMJKBRFBN-OAHLLOKOSA-N 0 3 333.453 2.961 20 10 EFCDHN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cccc(CN(C)C)c1 ZINC000152984686 726354160 /nfs/dbraw/zinc/35/41/60/726354160.db2.gz RTKOLEZFYLODSB-CYBMUJFWSA-N 0 3 343.427 2.912 20 10 EFCDHN CC1CCN(CC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CC1 ZINC000915215089 726900180 /nfs/dbraw/zinc/90/01/80/726900180.db2.gz HEPYVOHWKYDRLO-UHFFFAOYSA-N 0 3 329.488 2.976 20 10 EFCDHN O=c1cc(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)[nH]c2ccnn21 ZINC000731848093 726941966 /nfs/dbraw/zinc/94/19/66/726941966.db2.gz REHSQVZOYQZAGM-UHFFFAOYSA-N 0 3 338.411 2.673 20 10 EFCDHN O=c1cc(C[N@H+](Cc2ccccc2[O-])C2CCCC2)[nH]c2ccnn21 ZINC000731848093 726941969 /nfs/dbraw/zinc/94/19/69/726941969.db2.gz REHSQVZOYQZAGM-UHFFFAOYSA-N 0 3 338.411 2.673 20 10 EFCDHN CN1CCCC[C@@H]1CNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000912067736 727646922 /nfs/dbraw/zinc/64/69/22/727646922.db2.gz HMUSLTYQZITQID-GOSISDBHSA-N 0 3 330.476 2.570 20 10 EFCDHN CC(C)N(C)CC(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F ZINC000912106913 727654554 /nfs/dbraw/zinc/65/45/54/727654554.db2.gz OWYTYCXVIQVVHW-UHFFFAOYSA-N 0 3 345.409 2.984 20 10 EFCDHN CCN(CC)CC(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F ZINC000912107286 727654639 /nfs/dbraw/zinc/65/46/39/727654639.db2.gz SHTSMYQBLMJLRU-UHFFFAOYSA-N 0 3 345.409 2.985 20 10 EFCDHN COc1ccc(N2CCN(C[C@H](O)CCc3ccccc3)CC2)cc1 ZINC000182185449 727983439 /nfs/dbraw/zinc/98/34/39/727983439.db2.gz JKWAKFVKFPXKRY-HXUWFJFHSA-N 0 3 340.467 2.811 20 10 EFCDHN CC(C)CN(CCN(C)C)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000057661643 728098983 /nfs/dbraw/zinc/09/89/83/728098983.db2.gz VATGCQACXILPAI-UHFFFAOYSA-N 0 3 346.519 2.798 20 10 EFCDHN COc1ccc(O)c([C@@H](C)NCC(=O)Nc2cc(F)ccc2F)c1 ZINC000182366550 728119973 /nfs/dbraw/zinc/11/99/73/728119973.db2.gz LCIQWEGDBYQGAZ-SNVBAGLBSA-N 0 3 336.338 2.968 20 10 EFCDHN COc1ccc(O)c([C@H](C)NCC(=O)Nc2cc(C(C)(C)C)no2)c1 ZINC000182431210 728149454 /nfs/dbraw/zinc/14/94/54/728149454.db2.gz UDJSZUZMIKWAHI-NSHDSACASA-N 0 3 347.415 2.976 20 10 EFCDHN COc1ccc(O)c([C@@H](C)NCC(=O)Nc2sccc2C#N)c1 ZINC000182415701 728152871 /nfs/dbraw/zinc/15/28/71/728152871.db2.gz ISHKKONSSVWVDO-SNVBAGLBSA-N 0 3 331.397 2.623 20 10 EFCDHN COc1ccc(O)c([C@H](C)NCC(=O)NCCc2ccccc2C)c1 ZINC000182444108 728162991 /nfs/dbraw/zinc/16/29/91/728162991.db2.gz GYCMXPBYRZMKGX-HNNXBMFYSA-N 0 3 342.439 2.719 20 10 EFCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@@H]1CN(Cc3ccccc3)CCO1)CC2 ZINC000382418175 728227065 /nfs/dbraw/zinc/22/70/65/728227065.db2.gz AWDTVZCAYPPGBX-MOPGFXCFSA-N 0 3 338.451 2.870 20 10 EFCDHN [NH3+][C@@H]1CCO[C@H](C2CCN(Cc3c([O-])ccc(Cl)c3F)CC2)C1 ZINC000841102891 728326597 /nfs/dbraw/zinc/32/65/97/728326597.db2.gz BDTDWJDAPWVYSC-WBMJQRKESA-N 0 3 342.842 2.903 20 10 EFCDHN CCN(CC)c1ccc(CN(C)C(=S)NC2CCN(C)CC2)cc1 ZINC000920308298 729169911 /nfs/dbraw/zinc/16/99/11/729169911.db2.gz ZJMQKLHKCDFNEB-UHFFFAOYSA-N 0 3 348.560 2.933 20 10 EFCDHN Cc1cccc(CN2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1O ZINC000179780883 729623957 /nfs/dbraw/zinc/62/39/57/729623957.db2.gz YEDHSUPAWVMQGK-UHFFFAOYSA-N 0 3 327.384 2.931 20 10 EFCDHN CSC1(C[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2[O-])CC[NH+](C)CC1 ZINC001599784320 987896358 /nfs/dbraw/zinc/89/63/58/987896358.db2.gz LWBLCGIGEGJYJH-GFCCVEGCSA-N 0 3 338.473 2.568 20 10 EFCDHN CSC1(C[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2[O-])CC[NH+](C)CC1 ZINC001599784322 987897646 /nfs/dbraw/zinc/89/76/46/987897646.db2.gz LWBLCGIGEGJYJH-LBPRGKRZSA-N 0 3 338.473 2.568 20 10 EFCDHN COc1cccc([O-])c1C[NH2+][C@@H](CO)Cc1c[nH]c2ccccc12 ZINC000883003861 1126124524 /nfs/dbraw/zinc/12/45/24/1126124524.db2.gz LWKBPNIUJSECDM-CQSZACIVSA-N 0 3 326.396 2.575 20 10 EFCDHN Cc1cc(C(=O)N[C@@H]2CCNC[C@H]2F)c(C)n1-c1ccc(F)cc1 ZINC001579563761 1090634662 /nfs/dbraw/zinc/63/46/62/1090634662.db2.gz RUCWXMSFWUXDJS-IAGOWNOFSA-N 0 3 333.382 2.663 20 10 EFCDHN Cc1cc(C(=O)N[C@@H]2CCNC[C@@H]2F)c(C)n1-c1ccc(F)cc1 ZINC001579563758 1090634788 /nfs/dbraw/zinc/63/47/88/1090634788.db2.gz RUCWXMSFWUXDJS-DLBZAZTESA-N 0 3 333.382 2.663 20 10 EFCDHN C[C@@H]([NH2+][C@H]1Cc2ccc(-c3nnn[n-]3)cc2C1)c1ccc(N(C)C)cc1 ZINC001589956428 1093192981 /nfs/dbraw/zinc/19/29/81/1093192981.db2.gz OYIFTHORVTVLOL-ACJLOTCBSA-N 0 3 348.454 2.751 20 10 EFCDHN C[C@@H]([NH2+][C@H]1Cc2ccc(-c3nn[n-]n3)cc2C1)c1ccc(N(C)C)cc1 ZINC001589956428 1093192985 /nfs/dbraw/zinc/19/29/85/1093192985.db2.gz OYIFTHORVTVLOL-ACJLOTCBSA-N 0 3 348.454 2.751 20 10 EFCDHN CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590688170 1093549924 /nfs/dbraw/zinc/54/99/24/1093549924.db2.gz XCULRDPHZYNWCC-KGLIPLIRSA-N 0 3 346.479 2.733 20 10 EFCDHN CCCN(Cc1ccc(-c2nnn[n-]2)c(F)c1)c1ccc(C[NH3+])cc1 ZINC001604212652 1096774801 /nfs/dbraw/zinc/77/48/01/1096774801.db2.gz FKDLDLXVPXPLNF-UHFFFAOYSA-N 0 3 340.406 2.881 20 10 EFCDHN CCCN(Cc1ccc(-c2nn[n-]n2)c(F)c1)c1ccc(C[NH3+])cc1 ZINC001604212652 1096774805 /nfs/dbraw/zinc/77/48/05/1096774805.db2.gz FKDLDLXVPXPLNF-UHFFFAOYSA-N 0 3 340.406 2.881 20 10 EFCDHN O=C(c1cccc(O)c1[O-])N1CCC2(CC[N@@H+](C3CCCC3)C2)CC1 ZINC001269608050 1098286701 /nfs/dbraw/zinc/28/67/01/1098286701.db2.gz ROHUHWWNJRIVAY-UHFFFAOYSA-N 0 3 344.455 2.969 20 10 EFCDHN O=C(c1cccc(O)c1[O-])N1CCC2(CC[N@H+](C3CCCC3)C2)CC1 ZINC001269608050 1098286703 /nfs/dbraw/zinc/28/67/03/1098286703.db2.gz ROHUHWWNJRIVAY-UHFFFAOYSA-N 0 3 344.455 2.969 20 10 EFCDHN [O-]c1cccc(Br)c1CN1CCC[C@]12CCC[NH2+]C2 ZINC001222242215 1098633743 /nfs/dbraw/zinc/63/37/43/1098633743.db2.gz CGNLCRBWBSWOJE-HNNXBMFYSA-N 0 3 325.250 2.873 20 10 EFCDHN CCOc1ccc(N2CCN(C[C@@H](O)Cc3ccccc3)CC2)cc1 ZINC000008697257 1099027514 /nfs/dbraw/zinc/02/75/14/1099027514.db2.gz YELBWNDHXPAHCV-FQEVSTJZSA-N 0 3 340.467 2.811 20 10 EFCDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2CCCNC2=O)c1[O-] ZINC000840826209 1101754908 /nfs/dbraw/zinc/75/49/08/1101754908.db2.gz STMVVXQKKFNMIT-QWRGUYRKSA-N 0 3 341.249 2.640 20 10 EFCDHN C[C@H](CNC(=O)/C=C\c1ccc(O)c(O)c1)N(C)Cc1ccccc1 ZINC000588406554 1101927051 /nfs/dbraw/zinc/92/70/51/1101927051.db2.gz YTLYINAKDBJUSZ-ZHUYAKLQSA-N 0 3 340.423 2.748 20 10 EFCDHN C[C@@H](CNC(=O)/C=C\c1ccc(O)c(O)c1)N(C)Cc1ccccc1 ZINC000588406551 1101928044 /nfs/dbraw/zinc/92/80/44/1101928044.db2.gz YTLYINAKDBJUSZ-KLQCNHIUSA-N 0 3 340.423 2.748 20 10 EFCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@H](Oc3cccc(F)c3)C1)[C@@H](O)CO2 ZINC000784028549 1103388068 /nfs/dbraw/zinc/38/80/68/1103388068.db2.gz OMIGQQVWQXLGDZ-QAPCUYQASA-N 0 3 345.370 2.610 20 10 EFCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@@H](Oc3cccc(F)c3)C1)[C@@H](O)CO2 ZINC000784028549 1103388081 /nfs/dbraw/zinc/38/80/81/1103388081.db2.gz OMIGQQVWQXLGDZ-QAPCUYQASA-N 0 3 345.370 2.610 20 10 EFCDHN CC(C)C[N@H+](Cc1ccccn1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000905744439 1103581628 /nfs/dbraw/zinc/58/16/28/1103581628.db2.gz DZCUQTHLMCKPGY-GOSISDBHSA-N 0 3 328.412 2.871 20 10 EFCDHN CC(C)C[N@@H+](Cc1ccccn1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000905744439 1103581635 /nfs/dbraw/zinc/58/16/35/1103581635.db2.gz DZCUQTHLMCKPGY-GOSISDBHSA-N 0 3 328.412 2.871 20 10 EFCDHN COc1ccc(N2CCN([C@H]3Cc4ccc(OC)cc4C3)CC2)cc1 ZINC001168262737 1104641993 /nfs/dbraw/zinc/64/19/93/1104641993.db2.gz KFZIAPDKCQBZOS-IBGZPJMESA-N 0 3 338.451 2.993 20 10 EFCDHN CO[C@@H]1CCOC[C@H]1[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000897891409 1106133724 /nfs/dbraw/zinc/13/37/24/1106133724.db2.gz GBNQWNDCSCMSOQ-UYAOXDASSA-N 0 3 343.423 2.865 20 10 EFCDHN Cc1ccc(C[NH2+][C@H]2CCc3ncc(Br)n3C2)c([O-])c1 ZINC000898720882 1109062109 /nfs/dbraw/zinc/06/21/09/1109062109.db2.gz NNSHODNBCMFJFI-LBPRGKRZSA-N 0 3 336.233 2.764 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)NC2(C3CC3)CC2)N(C)C)cc1 ZINC000899101773 1109202236 /nfs/dbraw/zinc/20/22/36/1109202236.db2.gz MCNQZBJPHXNUEW-KRWDZBQOSA-N 0 3 330.476 2.597 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)N(C)Cc2ccco2)N(C)C)cc1 ZINC000899102255 1109203289 /nfs/dbraw/zinc/20/32/89/1109203289.db2.gz PCIHRKQKEZFRDL-SFHVURJKSA-N 0 3 344.459 2.790 20 10 EFCDHN CC(C)[C@@H]1CCN1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899100936 1109208063 /nfs/dbraw/zinc/20/80/63/1109208063.db2.gz DDCZUXIBGFUDCN-ZWKOTPCHSA-N 0 3 332.492 2.795 20 10 EFCDHN C[C@@H]1CC[C@@H](C)N1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899100582 1109208355 /nfs/dbraw/zinc/20/83/55/1109208355.db2.gz ASNNUWVVCHEURZ-RKVPGOIHSA-N 0 3 332.492 2.938 20 10 EFCDHN COc1ccc(N2CCN(C(=O)CN(C)[C@@H](C)C(C)(C)C)CC2)cc1 ZINC000914574596 1111265563 /nfs/dbraw/zinc/26/55/63/1111265563.db2.gz RIHLXJXTTZUXTH-INIZCTEOSA-N 0 3 347.503 2.710 20 10 EFCDHN CC[C@H](C)N1CC[C@@]2(CCCN2Cc2cccc(OC)c2O)C1=O ZINC001272622739 1111760718 /nfs/dbraw/zinc/76/07/18/1111760718.db2.gz QILOGPLXMVGMNN-LIRRHRJNSA-N 0 3 332.444 2.766 20 10 EFCDHN COc1ccc(C[N@@H+]2CC[C@@]3(CCN(CC=C(C)C)C3=O)C2)c([O-])c1 ZINC001272625459 1111764994 /nfs/dbraw/zinc/76/49/94/1111764994.db2.gz KNHOKSUAQRTYKO-HXUWFJFHSA-N 0 3 344.455 2.791 20 10 EFCDHN COc1ccc(C[N@H+]2CC[C@@]3(CCN(CC=C(C)C)C3=O)C2)c([O-])c1 ZINC001272625459 1111764996 /nfs/dbraw/zinc/76/49/96/1111764996.db2.gz KNHOKSUAQRTYKO-HXUWFJFHSA-N 0 3 344.455 2.791 20 10 EFCDHN CC[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(OC)cc1[O-] ZINC001272626393 1111767336 /nfs/dbraw/zinc/76/73/36/1111767336.db2.gz WTKRCQRMACPTCA-KBRIMQKVSA-N 0 3 332.444 2.765 20 10 EFCDHN CC[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccc(OC)cc1[O-] ZINC001272626393 1111767343 /nfs/dbraw/zinc/76/73/43/1111767343.db2.gz WTKRCQRMACPTCA-KBRIMQKVSA-N 0 3 332.444 2.765 20 10 EFCDHN COc1cc([O-])c(CN(C(C)C)[C@H]2CC[NH2+]C2)c(Br)c1 ZINC001236531433 1112944318 /nfs/dbraw/zinc/94/43/18/1112944318.db2.gz YXBGCFUWGRBMEL-NSHDSACASA-N 0 3 343.265 2.736 20 10 EFCDHN COc1ccc(O)c([C@@H](C)NCC(=O)N(C2CC2)C2CCCC2)c1 ZINC000182466662 1118613202 /nfs/dbraw/zinc/61/32/02/1118613202.db2.gz VPOVFCCTYMMLSO-CYBMUJFWSA-N 0 3 332.444 2.985 20 10 EFCDHN C[NH+](C)CCn1ccc2ccc(NC(=O)c3cccc(O)c3[O-])cc21 ZINC000185704324 1120481652 /nfs/dbraw/zinc/48/16/52/1120481652.db2.gz SSBSNWPWOYLXJH-UHFFFAOYSA-N 0 3 339.395 2.866 20 10 EFCDHN CN1[C@@H]2CC[C@H]1CCN(C(=O)NCc1ccc(N3CCCC3)cc1)C2 ZINC000173993295 529831804 /nfs/dbraw/zinc/83/18/04/529831804.db2.gz FKMIXOUJEYWPRM-PKOBYXMFSA-N 0 3 342.487 2.665 20 10 EFCDHN COc1cccc(C(=O)NCCN[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000162392229 239088830 /nfs/dbraw/zinc/08/88/30/239088830.db2.gz HZJBDZOBHWNFFQ-HNNXBMFYSA-N 0 3 341.455 2.842 20 10 EFCDHN Cc1cc([O-])c(C[NH2+]CCCN2C(=O)COc3ccccc32)cc1C ZINC000174523688 239234953 /nfs/dbraw/zinc/23/49/53/239234953.db2.gz PYAFIGNRGBMJOP-UHFFFAOYSA-N 0 3 340.423 2.914 20 10 EFCDHN Cc1ccc([C@@H](C)NCc2ccccc2S(=O)(=O)N(C)C)c(O)c1 ZINC000184964867 239589760 /nfs/dbraw/zinc/58/97/60/239589760.db2.gz YCSPFVJPMOVVBJ-CQSZACIVSA-N 0 3 348.468 2.802 20 10 EFCDHN COc1cccc(CN2CCC(Oc3ccc(F)nc3)CC2)c1O ZINC000191678809 240001466 /nfs/dbraw/zinc/00/14/66/240001466.db2.gz LZSMNFAEGARULZ-UHFFFAOYSA-N 0 3 332.375 2.978 20 10 EFCDHN C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000193069260 240084069 /nfs/dbraw/zinc/08/40/69/240084069.db2.gz DVWOWIDSHSSNOI-GJZGRUSLSA-N 0 3 332.444 2.824 20 10 EFCDHN C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000193069260 240084075 /nfs/dbraw/zinc/08/40/75/240084075.db2.gz DVWOWIDSHSSNOI-GJZGRUSLSA-N 0 3 332.444 2.824 20 10 EFCDHN [O-]c1ccccc1C[N@H+](CCO[C@@H]1CCCCO1)C[C@@H]1CCCO1 ZINC000193071252 240084516 /nfs/dbraw/zinc/08/45/16/240084516.db2.gz JKELRZASUOMTFX-PKOBYXMFSA-N 0 3 335.444 2.916 20 10 EFCDHN [O-]c1ccccc1C[N@@H+](CCO[C@@H]1CCCCO1)C[C@@H]1CCCO1 ZINC000193071252 240084526 /nfs/dbraw/zinc/08/45/26/240084526.db2.gz JKELRZASUOMTFX-PKOBYXMFSA-N 0 3 335.444 2.916 20 10 EFCDHN CCOC1CC(C[NH2+][C@H](C)c2ccc(C)cc2[O-])(N2CCOCC2)C1 ZINC000193398518 240104086 /nfs/dbraw/zinc/10/40/86/240104086.db2.gz MMRJOSUZECSZBM-ZRZPHAQCSA-N 0 3 348.487 2.621 20 10 EFCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@H]2CCN(CC(F)(F)F)C2)c1 ZINC000193504491 240110115 /nfs/dbraw/zinc/11/01/15/240110115.db2.gz JLBBSRZFVFHAPW-NWDGAFQWSA-N 0 3 332.366 2.936 20 10 EFCDHN Nc1ccc(CC(=O)NC[C@@H](c2cccs2)N2CCCC2)cc1 ZINC000237904034 240248490 /nfs/dbraw/zinc/24/84/90/240248490.db2.gz IQCAIJYGIMIOTI-INIZCTEOSA-N 0 3 329.469 2.826 20 10 EFCDHN CN1CCCc2cc(CNC(=O)C3CCN(C4CC4)CC3)ccc21 ZINC000195393681 240223161 /nfs/dbraw/zinc/22/31/61/240223161.db2.gz IAGWXBRGMIPGPP-UHFFFAOYSA-N 0 3 327.472 2.560 20 10 EFCDHN CNCC(=O)N(Cc1ccc(N(C)C)cc1)c1ccc(OC)cc1 ZINC000237186049 240240459 /nfs/dbraw/zinc/24/04/59/240240459.db2.gz AERMYRXZECOBQB-UHFFFAOYSA-N 0 3 327.428 2.514 20 10 EFCDHN COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@@H](C)N)cc1 ZINC000237247624 240241460 /nfs/dbraw/zinc/24/14/60/240241460.db2.gz OSCGXJZCOBBYAZ-CQSZACIVSA-N 0 3 327.428 2.642 20 10 EFCDHN COC(=O)COc1c(C)cc(C[NH2+]Cc2ccccc2[O-])cc1C ZINC000263702429 240387520 /nfs/dbraw/zinc/38/75/20/240387520.db2.gz RQJAMFNEHSCNPU-UHFFFAOYSA-N 0 3 329.396 2.851 20 10 EFCDHN O=S1(=O)CC[C@H](C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000263720415 240388221 /nfs/dbraw/zinc/38/82/21/240388221.db2.gz WGQCZVYQHWRIEB-CQSZACIVSA-N 0 3 331.437 2.584 20 10 EFCDHN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1CCCN1C ZINC000266672846 240482440 /nfs/dbraw/zinc/48/24/40/240482440.db2.gz AYXSILCGDJTQFB-GOSISDBHSA-N 0 3 332.492 2.767 20 10 EFCDHN [O-]c1cc2c(cc1C[NH2+]C[C@H]1COC3(CCCCCC3)O1)OCO2 ZINC000271964249 240647401 /nfs/dbraw/zinc/64/74/01/240647401.db2.gz GSCBJPFTRIDQOL-AWEZNQCLSA-N 0 3 335.400 2.676 20 10 EFCDHN C[C@H]1OCC[C@]1(O)C[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000279161988 240831797 /nfs/dbraw/zinc/83/17/97/240831797.db2.gz AWGIWYQONJGJMD-QRWLVFNGSA-N 0 3 343.423 2.601 20 10 EFCDHN Cc1cc(C)c([C@@H](C)[NH2+]C[C@H](N2CCOCC2)C(F)(F)F)c([O-])c1 ZINC000294262515 241038091 /nfs/dbraw/zinc/03/80/91/241038091.db2.gz LMFLFSWPIPCJTE-HIFRSBDPSA-N 0 3 346.393 2.923 20 10 EFCDHN CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H]2CCc3cccc([O-])c32)cc1 ZINC000295939557 241070432 /nfs/dbraw/zinc/07/04/32/241070432.db2.gz KWGXHSGJWIIGOF-BLLLJJGKSA-N 0 3 346.452 2.638 20 10 EFCDHN COc1cc(C[NH2+][C@H]2CCc3cccc([O-])c32)ccc1OCCO ZINC000296113823 241074950 /nfs/dbraw/zinc/07/49/50/241074950.db2.gz UWZHWXBNTIADLW-HNNXBMFYSA-N 0 3 329.396 2.549 20 10 EFCDHN CCNC(=O)COc1cccc(C[NH2+][C@@H]2CCc3cccc([O-])c32)c1 ZINC000296161345 241077357 /nfs/dbraw/zinc/07/73/57/241077357.db2.gz XHWDFUFTYLKXDF-QGZVFWFLSA-N 0 3 340.423 2.684 20 10 EFCDHN COC(=O)C1CCN(Cc2ccc(N3CCC(OC)CC3)cc2)CC1 ZINC000296244057 241079734 /nfs/dbraw/zinc/07/97/34/241079734.db2.gz FIPYHGNAEXRRES-UHFFFAOYSA-N 0 3 346.471 2.687 20 10 EFCDHN COC(=O)COc1cccc(C[NH2+][C@@H]2CCc3cccc([O-])c32)c1 ZINC000296225299 241079849 /nfs/dbraw/zinc/07/98/49/241079849.db2.gz AIGJSJDQTOKSCU-MRXNPFEDSA-N 0 3 327.380 2.721 20 10 EFCDHN C[C@H](NCc1ccc(N(C)Cc2cccs2)cc1)C(=O)N(C)C ZINC000296805542 241098785 /nfs/dbraw/zinc/09/87/85/241098785.db2.gz MUZMOEMMSJDANW-AWEZNQCLSA-N 0 3 331.485 2.951 20 10 EFCDHN O=C1c2ccccc2C(=O)N1CCC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000297269336 241118155 /nfs/dbraw/zinc/11/81/55/241118155.db2.gz KOHDJOJYUYCONC-MRXNPFEDSA-N 0 3 336.391 2.655 20 10 EFCDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](N2CCOCC2)C(F)(F)F)c([O-])c1 ZINC000294262502 241038974 /nfs/dbraw/zinc/03/89/74/241038974.db2.gz LMFLFSWPIPCJTE-DZGCQCFKSA-N 0 3 346.393 2.923 20 10 EFCDHN CN(Cc1cccs1)c1ccc(CN[C@]2(CO)CCOC2)cc1 ZINC000295459078 241052520 /nfs/dbraw/zinc/05/25/20/241052520.db2.gz QTMLUAABXNXZNH-SFHVURJKSA-N 0 3 332.469 2.626 20 10 EFCDHN CCN1CCC[C@H]1CNC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000298733900 241160119 /nfs/dbraw/zinc/16/01/19/241160119.db2.gz OWCPCOCCFMJFJY-INIZCTEOSA-N 0 3 326.444 2.703 20 10 EFCDHN Oc1cccc2c1[C@@H](NCc1ccncc1OC[C@@H]1CCOC1)CC2 ZINC000297473573 241123132 /nfs/dbraw/zinc/12/31/32/241123132.db2.gz YSOHPKMGAQHQRM-PBHICJAKSA-N 0 3 340.423 2.980 20 10 EFCDHN C[C@@H](NC1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(F)c(F)c1[O-] ZINC000187726617 296115029 /nfs/dbraw/zinc/11/50/29/296115029.db2.gz JFCASLRJTNCXJC-CHWSQXEVSA-N 0 3 340.414 2.822 20 10 EFCDHN O=C1[C@H]([NH2+][C@@H]2CCc3cccc([O-])c32)CCCN1CC(F)(F)F ZINC000296664379 285004588 /nfs/dbraw/zinc/00/45/88/285004588.db2.gz FLEQSQOGVOKWPX-VXGBXAGGSA-N 0 3 328.334 2.522 20 10 EFCDHN C[C@@H]([NH2+]Cc1cccc(OCC(=O)N(C)C)c1)c1ccccc1[O-] ZINC000183429412 533456319 /nfs/dbraw/zinc/45/63/19/533456319.db2.gz JFMBDIJDGRSTHU-CQSZACIVSA-N 0 3 328.412 2.710 20 10 EFCDHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C2CCN(CC(C)C)CC2)c1 ZINC000273419023 292013927 /nfs/dbraw/zinc/01/39/27/292013927.db2.gz RORYGYXFJXBZKU-AWEZNQCLSA-N 0 3 334.460 2.950 20 10 EFCDHN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C2CCN(CC(C)C)CC2)c1 ZINC000273419024 292014074 /nfs/dbraw/zinc/01/40/74/292014074.db2.gz RORYGYXFJXBZKU-CQSZACIVSA-N 0 3 334.460 2.950 20 10 EFCDHN COc1cc(Cl)cc(CN2CCOCC3(CCOCC3)C2)c1O ZINC000184744908 286223180 /nfs/dbraw/zinc/22/31/80/286223180.db2.gz DVWJHRSFVOARBI-UHFFFAOYSA-N 0 3 341.835 2.683 20 10 EFCDHN C[C@@H](CN1CCN(C)CC1)[NH2+][C@@H](C)c1cc2c(cc1[O-])CCCC2 ZINC000185392602 274218962 /nfs/dbraw/zinc/21/89/62/274218962.db2.gz FFIXQNQELFHQOX-HOTGVXAUSA-N 0 3 331.504 2.558 20 10 EFCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCN(c3ccccc3C(N)=O)C2)c1 ZINC000373257056 274755106 /nfs/dbraw/zinc/75/51/06/274755106.db2.gz RZYAMDIEUXBICS-GJZGRUSLSA-N 0 3 339.439 2.729 20 10 EFCDHN CCCOc1ccc(CN2C[C@@H](C)OC3(CCOCC3)C2)c(O)c1 ZINC000280595622 276019593 /nfs/dbraw/zinc/01/95/93/276019593.db2.gz XTDFIXYKSQQAOU-OAHLLOKOSA-N 0 3 335.444 2.951 20 10 EFCDHN COc1ccc2ccc([O-])c(C[NH+]3CCC4(CC3)OCCO4)c2c1 ZINC000026610444 278000573 /nfs/dbraw/zinc/00/05/73/278000573.db2.gz FIVVUHMEGBYXIV-UHFFFAOYSA-N 0 3 329.396 2.893 20 10 EFCDHN C[C@H](CCN1CCN(C)CC1)[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000186592563 278172243 /nfs/dbraw/zinc/17/22/43/278172243.db2.gz BPLQPCRVHXULMJ-ZIAGYGMSSA-N 0 3 325.884 2.722 20 10 EFCDHN C[C@H](NC[C@H]1CN(C)CCN1C)c1ccc(N2CCCCCC2)cc1 ZINC000268908163 278265441 /nfs/dbraw/zinc/26/54/41/278265441.db2.gz MGMUQTUYROGGTM-RXVVDRJESA-N 0 3 344.547 2.963 20 10 EFCDHN C[C@H](CN1CCN(C)CC1)[NH2+][C@@H](C)c1cc2c(cc1[O-])CCCC2 ZINC000185392636 289604066 /nfs/dbraw/zinc/60/40/66/289604066.db2.gz FFIXQNQELFHQOX-CVEARBPZSA-N 0 3 331.504 2.558 20 10 EFCDHN C[C@H]([NH2+]Cc1ccc(N2CCN(C)CC2)nc1)c1ccc(F)cc1[O-] ZINC000184968478 473286692 /nfs/dbraw/zinc/28/66/92/473286692.db2.gz NFHNPIGTGQOORR-AWEZNQCLSA-N 0 3 344.434 2.529 20 10 EFCDHN C[C@H]([NH2+]C1CCN(CCN(C)C)CC1)c1cc(Cl)ccc1[O-] ZINC000184983026 473292298 /nfs/dbraw/zinc/29/22/98/473292298.db2.gz JEMZXXZYDXJCRZ-ZDUSSCGKSA-N 0 3 325.884 2.722 20 10 EFCDHN CCN1CCN(CCC[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])CC1 ZINC000185013696 473301768 /nfs/dbraw/zinc/30/17/68/473301768.db2.gz RUOMHXBUSLBMGN-AWEZNQCLSA-N 0 3 325.884 2.724 20 10 EFCDHN C[C@@H]([NH2+]Cc1ccnc(N2CCN(C)CC2)c1)c1ccc(F)cc1[O-] ZINC000185042042 473309908 /nfs/dbraw/zinc/30/99/08/473309908.db2.gz VBBZTALBESRCEL-CQSZACIVSA-N 0 3 344.434 2.529 20 10 EFCDHN Cc1ccc([O-])c([C@H](C)[NH2+]Cc2ccnc(N3CCN(C)CC3)c2)c1 ZINC000185041963 473310148 /nfs/dbraw/zinc/31/01/48/473310148.db2.gz PUENMRTYVWJOEV-INIZCTEOSA-N 0 3 340.471 2.698 20 10 EFCDHN COc1ccc(O)c([C@@H](C)NCc2cccc(CS(C)(=O)=O)c2)c1 ZINC000185263255 473380480 /nfs/dbraw/zinc/38/04/80/473380480.db2.gz SDPXGZTXBAUXBG-CYBMUJFWSA-N 0 3 349.452 2.796 20 10 EFCDHN COc1ccc([O-])c([C@@H](C)[NH2+]Cc2cccc(CS(C)(=O)=O)c2)c1 ZINC000185263255 473380486 /nfs/dbraw/zinc/38/04/86/473380486.db2.gz SDPXGZTXBAUXBG-CYBMUJFWSA-N 0 3 349.452 2.796 20 10 EFCDHN Cc1ccc([C@H](C)[NH2+]CCCNC(=O)c2cccc(O)c2)c([O-])c1 ZINC000185303851 473389906 /nfs/dbraw/zinc/38/99/06/473389906.db2.gz LQOASKOOYDNTIT-AWEZNQCLSA-N 0 3 328.412 2.877 20 10 EFCDHN COC[C@@H](CCO)[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-] ZINC000275377993 474163932 /nfs/dbraw/zinc/16/39/32/474163932.db2.gz WYYVSDKSJJPIOC-CMPLNLGQSA-N 0 3 332.238 2.511 20 10 EFCDHN CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000068964573 472272024 /nfs/dbraw/zinc/27/20/24/472272024.db2.gz LOWNBKCKAUPAMK-ZIAGYGMSSA-N 0 3 348.443 2.638 20 10 EFCDHN CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000068964573 472272030 /nfs/dbraw/zinc/27/20/30/472272030.db2.gz LOWNBKCKAUPAMK-ZIAGYGMSSA-N 0 3 348.443 2.638 20 10 EFCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]C[C@H](O)C1CCOCC1 ZINC000076906399 472422358 /nfs/dbraw/zinc/42/23/58/472422358.db2.gz HWGLDFDUGPBWFZ-FQEVSTJZSA-N 0 3 327.424 2.936 20 10 EFCDHN COc1ccc(C(=O)NCCN[C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000089514407 472453812 /nfs/dbraw/zinc/45/38/12/472453812.db2.gz GCNRDYPEOIHICI-OAHLLOKOSA-N 0 3 341.455 2.842 20 10 EFCDHN CC[C@@H](N[C@H]1CCN(CC(F)(F)F)C1=O)c1ccc(N(C)C)cc1 ZINC000089619068 472470527 /nfs/dbraw/zinc/47/05/27/472470527.db2.gz CAEADYMUJYJSGV-CABCVRRESA-N 0 3 343.393 2.957 20 10 EFCDHN C[C@H](N[C@@H]1CCN(CC(F)(F)F)C1=O)c1ccc(N(C)C)cc1 ZINC000089619093 472471078 /nfs/dbraw/zinc/47/10/78/472471078.db2.gz NDBPRYAHRJROPM-SMDDNHRTSA-N 0 3 329.366 2.566 20 10 EFCDHN O=[N+]([O-])c1ccc(CNCc2ccc(N3CCOCC3)cc2)cc1 ZINC000077220983 472478890 /nfs/dbraw/zinc/47/88/90/472478890.db2.gz BKFJOEDNNTWNBE-UHFFFAOYSA-N 0 3 327.384 2.721 20 10 EFCDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000129881721 472570468 /nfs/dbraw/zinc/57/04/68/472570468.db2.gz FPLLZXXWBVFYEF-NVXWUHKLSA-N 0 3 344.503 2.909 20 10 EFCDHN O[C@@H](CNCc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1F ZINC000071819558 472572730 /nfs/dbraw/zinc/57/27/30/472572730.db2.gz UHYNEEFPYDLJMC-IBGZPJMESA-N 0 3 348.393 2.625 20 10 EFCDHN COc1ccc(CNC(=O)C[NH2+][C@@H](C)c2cc(F)ccc2[O-])cc1 ZINC000120027710 472618753 /nfs/dbraw/zinc/61/87/53/472618753.db2.gz AQOQZZWVUNHDDE-LBPRGKRZSA-N 0 3 332.375 2.507 20 10 EFCDHN COc1ccc(O)c(CN[C@H](C)CS(=O)(=O)c2ccc(C)cc2)c1 ZINC000120187440 472646362 /nfs/dbraw/zinc/64/63/62/472646362.db2.gz KEUNAQMBDSOWIS-CQSZACIVSA-N 0 3 349.452 2.661 20 10 EFCDHN COc1ccc(O)c(CN[C@@H](C)CS(=O)(=O)c2ccc(C)cc2)c1 ZINC000120187602 472646566 /nfs/dbraw/zinc/64/65/66/472646566.db2.gz KEUNAQMBDSOWIS-AWEZNQCLSA-N 0 3 349.452 2.661 20 10 EFCDHN CCN1CCCC[C@H]1C(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000104289233 472664659 /nfs/dbraw/zinc/66/46/59/472664659.db2.gz QEILSOCOYDKPPN-IBGZPJMESA-N 0 3 345.487 2.608 20 10 EFCDHN CN(C)c1ccc(CN[C@H](CN2CCOCC2)c2ccccc2)cc1 ZINC000072953553 472746853 /nfs/dbraw/zinc/74/68/53/472746853.db2.gz KXCRKSFNXCAEAD-OAQYLSRUSA-N 0 3 339.483 2.916 20 10 EFCDHN CC[C@@H](C(=O)N(CC)Cc1cc(Br)ccc1O)N(C)C ZINC000120990031 472779820 /nfs/dbraw/zinc/77/98/20/472779820.db2.gz PZLDFSOUHKKKBF-ZDUSSCGKSA-N 0 3 343.265 2.843 20 10 EFCDHN Cc1ccc(O)c(CN(C)[C@@H](C)c2cccc(S(N)(=O)=O)c2)c1 ZINC000092585738 472940383 /nfs/dbraw/zinc/94/03/83/472940383.db2.gz VCQASROAIDEVGO-ZDUSSCGKSA-N 0 3 334.441 2.541 20 10 EFCDHN c1cn(C2CCN(Cc3ccc(N4CCOCC4)cc3)CC2)cn1 ZINC000092648591 472951151 /nfs/dbraw/zinc/95/11/51/472951151.db2.gz VDTSCKCTXABACP-UHFFFAOYSA-N 0 3 326.444 2.557 20 10 EFCDHN CCOc1cccc(C[NH+]2CCC(OC[C@@H]3CCCO3)CC2)c1[O-] ZINC000092661779 472955596 /nfs/dbraw/zinc/95/55/96/472955596.db2.gz JSRGEYPCZYEHFA-KRWDZBQOSA-N 0 3 335.444 2.951 20 10 EFCDHN CN(C)Cc1cccc(C(=O)N2CCOc3cc(N(C)C)ccc32)c1 ZINC000074191366 472960150 /nfs/dbraw/zinc/96/01/50/472960150.db2.gz YFWQQWHPXVCFJM-UHFFFAOYSA-N 0 3 339.439 2.853 20 10 EFCDHN CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2cccc(OC)c2[O-])C1 ZINC000092731237 472973562 /nfs/dbraw/zinc/97/35/62/472973562.db2.gz HPMPKMFPJGXRAQ-HOCLYGCPSA-N 0 3 334.460 2.918 20 10 EFCDHN CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(OC)c2[O-])C1 ZINC000092731237 472973567 /nfs/dbraw/zinc/97/35/67/472973567.db2.gz HPMPKMFPJGXRAQ-HOCLYGCPSA-N 0 3 334.460 2.918 20 10 EFCDHN CCCNC(=O)[C@H]1CCC[N@H+](Cc2ccc(OCCC)cc2[O-])C1 ZINC000092734261 472975107 /nfs/dbraw/zinc/97/51/07/472975107.db2.gz NRDRCOCPLPCBSX-INIZCTEOSA-N 0 3 334.460 2.919 20 10 EFCDHN CCCNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(OCCC)cc2[O-])C1 ZINC000092734261 472975111 /nfs/dbraw/zinc/97/51/11/472975111.db2.gz NRDRCOCPLPCBSX-INIZCTEOSA-N 0 3 334.460 2.919 20 10 EFCDHN NC(=O)N1CCC[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000092754087 472979533 /nfs/dbraw/zinc/97/95/33/472979533.db2.gz LQIZDXDJQSBIFI-UHFFFAOYSA-N 0 3 325.412 2.646 20 10 EFCDHN NC(=O)N1CCC[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000092754087 472979536 /nfs/dbraw/zinc/97/95/36/472979536.db2.gz LQIZDXDJQSBIFI-UHFFFAOYSA-N 0 3 325.412 2.646 20 10 EFCDHN CCN(CC)c1ccc(CN2CC[C@@H](N3CCN(CC)CC3)C2)cc1 ZINC000093133346 473048152 /nfs/dbraw/zinc/04/81/52/473048152.db2.gz PFUVQAIZYLHKKJ-OAQYLSRUSA-N 0 3 344.547 2.745 20 10 EFCDHN O=C(NCc1ccc(N2CCCC2)cc1)N1CC[C@H](N2CCCC2)C1 ZINC000066179663 473055772 /nfs/dbraw/zinc/05/57/72/473055772.db2.gz WFWYWGPODYQXLD-IBGZPJMESA-N 0 3 342.487 2.667 20 10 EFCDHN [O-]c1cc2c(cc1C[N@@H+](CCCO)[C@@H]1CCc3ccccc31)OCO2 ZINC000093389311 473100624 /nfs/dbraw/zinc/10/06/24/473100624.db2.gz WDHLMRGMAKLSKW-QGZVFWFLSA-N 0 3 341.407 2.993 20 10 EFCDHN [O-]c1cc2c(cc1C[N@H+](CCCO)[C@@H]1CCc3ccccc31)OCO2 ZINC000093389311 473100628 /nfs/dbraw/zinc/10/06/28/473100628.db2.gz WDHLMRGMAKLSKW-QGZVFWFLSA-N 0 3 341.407 2.993 20 10 EFCDHN [O-]c1cc2c(cc1C[N@@H+](CCO)[C@@H]1CCc3ccccc31)OCO2 ZINC000093388079 473100762 /nfs/dbraw/zinc/10/07/62/473100762.db2.gz WTHICHLGBWQVPN-MRXNPFEDSA-N 0 3 327.380 2.603 20 10 EFCDHN [O-]c1cc2c(cc1C[N@H+](CCO)[C@@H]1CCc3ccccc31)OCO2 ZINC000093388079 473100766 /nfs/dbraw/zinc/10/07/66/473100766.db2.gz WTHICHLGBWQVPN-MRXNPFEDSA-N 0 3 327.380 2.603 20 10 EFCDHN Cc1cc([O-])c(C[NH+]2CCC([C@H](O)c3nccn3C)CC2)cc1C ZINC000093454623 473109828 /nfs/dbraw/zinc/10/98/28/473109828.db2.gz BXQRALMVUMJZSM-SFHVURJKSA-N 0 3 329.444 2.688 20 10 EFCDHN NC(=O)c1ccc(C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)cc1 ZINC000109761911 473119540 /nfs/dbraw/zinc/11/95/40/473119540.db2.gz GKBLMTGUCYYVGL-GOSISDBHSA-N 0 3 340.423 2.672 20 10 EFCDHN NC(=O)c1ccc(C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)cc1 ZINC000109761911 473119548 /nfs/dbraw/zinc/11/95/48/473119548.db2.gz GKBLMTGUCYYVGL-GOSISDBHSA-N 0 3 340.423 2.672 20 10 EFCDHN CCCOc1ccc(C[NH+]2CCC3(CC2)[C@@H](O)C[C@@H]3OCC)c([O-])c1 ZINC000093614094 473125362 /nfs/dbraw/zinc/12/53/62/473125362.db2.gz GWFMTDQIGWKVBV-OALUTQOASA-N 0 3 349.471 2.933 20 10 EFCDHN CCC[N@H+](Cc1ccccc1[O-])[C@H]1CCN(CC(F)(F)F)C1=O ZINC000109836012 473127245 /nfs/dbraw/zinc/12/72/45/473127245.db2.gz HOIYQEGHYMLMGF-ZDUSSCGKSA-N 0 3 330.350 2.767 20 10 EFCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@H]1CCN(CC(F)(F)F)C1=O ZINC000109836012 473127249 /nfs/dbraw/zinc/12/72/49/473127249.db2.gz HOIYQEGHYMLMGF-ZDUSSCGKSA-N 0 3 330.350 2.767 20 10 EFCDHN CCN(CC)c1ccc(CN2CCN(C[C@@H]3CCOC3)CC2)cc1 ZINC000093818036 473150010 /nfs/dbraw/zinc/15/00/10/473150010.db2.gz SENVANJCLHQZMN-IBGZPJMESA-N 0 3 331.504 2.687 20 10 EFCDHN [O-]c1ccccc1C[N@H+](C[C@@H](O)Cc1ccccc1)C[C@@H]1CCCO1 ZINC000111232937 473197792 /nfs/dbraw/zinc/19/77/92/473197792.db2.gz NIHWEDKGRSLJJJ-PMACEKPBSA-N 0 3 341.451 2.977 20 10 EFCDHN [O-]c1ccccc1C[N@@H+](C[C@@H](O)Cc1ccccc1)C[C@@H]1CCCO1 ZINC000111232937 473197795 /nfs/dbraw/zinc/19/77/95/473197795.db2.gz NIHWEDKGRSLJJJ-PMACEKPBSA-N 0 3 341.451 2.977 20 10 EFCDHN Cc1cc2ncn(C[C@@H](O)C[N@@H+](C)Cc3ccccc3[O-])c2cc1C ZINC000111235768 473197921 /nfs/dbraw/zinc/19/79/21/473197921.db2.gz ZVRXYZAMKCMRTN-KRWDZBQOSA-N 0 3 339.439 2.852 20 10 EFCDHN Cc1cc2ncn(C[C@@H](O)C[N@H+](C)Cc3ccccc3[O-])c2cc1C ZINC000111235768 473197923 /nfs/dbraw/zinc/19/79/23/473197923.db2.gz ZVRXYZAMKCMRTN-KRWDZBQOSA-N 0 3 339.439 2.852 20 10 EFCDHN C[C@H](C[NH2+][C@H](C)c1cc2c(cc1[O-])CCCC2)N1CCN(C)CC1 ZINC000185365635 473406219 /nfs/dbraw/zinc/40/62/19/473406219.db2.gz ZRRYAPXZALVFHK-HZPDHXFCSA-N 0 3 331.504 2.558 20 10 EFCDHN C[C@H](C[NH2+][C@H](C)c1ccc2ccccc2c1[O-])N1CCN(C)CC1 ZINC000185364558 473406627 /nfs/dbraw/zinc/40/66/27/473406627.db2.gz AIVOLFJFRGBWGR-HZPDHXFCSA-N 0 3 327.472 2.832 20 10 EFCDHN C[C@H](CN1CCN(C)CC1)[NH2+][C@H](C)c1cc2c(cc1[O-])CCCC2 ZINC000185392667 473414609 /nfs/dbraw/zinc/41/46/09/473414609.db2.gz FFIXQNQELFHQOX-HZPDHXFCSA-N 0 3 331.504 2.558 20 10 EFCDHN C[C@H](CN1CCN(C)CC1)[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000185392488 473414722 /nfs/dbraw/zinc/41/47/22/473414722.db2.gz MXVLQJVZBSXBOG-HZPDHXFCSA-N 0 3 327.472 2.832 20 10 EFCDHN COc1ccc(N2CCC(NCc3cccnc3OC)CC2)cc1 ZINC000151150329 473416908 /nfs/dbraw/zinc/41/69/08/473416908.db2.gz SESBLSDCVLLJCR-UHFFFAOYSA-N 0 3 327.428 2.857 20 10 EFCDHN C[C@@H]([NH2+]Cc1ccccc1CS(C)(=O)=O)c1cc(F)ccc1[O-] ZINC000185650271 473478602 /nfs/dbraw/zinc/47/86/02/473478602.db2.gz LUMNZYMQTQKNAE-GFCCVEGCSA-N 0 3 337.416 2.927 20 10 EFCDHN Cc1cc(C(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)c(C)n1-c1ccccn1 ZINC000126055726 473482940 /nfs/dbraw/zinc/48/29/40/473482940.db2.gz JLHKCCAKKHAUDS-KSSFIOAISA-N 0 3 340.471 2.901 20 10 EFCDHN COc1ccc(C(=O)NCC[NH2+][C@@H](C)c2cc(F)ccc2[O-])cc1 ZINC000185953465 473556943 /nfs/dbraw/zinc/55/69/43/473556943.db2.gz UNMOAQVSCJWPNF-LBPRGKRZSA-N 0 3 332.375 2.621 20 10 EFCDHN C[C@H]1CCN(C(=O)Cc2ccc(N)cc2)CCN1Cc1ccccc1 ZINC000178840852 473575855 /nfs/dbraw/zinc/57/58/55/473575855.db2.gz DKKLWWNZWUDOBH-KRWDZBQOSA-N 0 3 337.467 2.934 20 10 EFCDHN [O-]c1ccc(Cl)cc1CN1CCC[C@@H]([NH2+]CC2=CCCOC2)C1 ZINC000127292536 473596214 /nfs/dbraw/zinc/59/62/14/473596214.db2.gz KTPAIDJQWVUDML-QGZVFWFLSA-N 0 3 336.863 2.946 20 10 EFCDHN C[C@@H]([NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1cc(F)ccc1[O-] ZINC000186127705 473596638 /nfs/dbraw/zinc/59/66/38/473596638.db2.gz CFPSLZNNVZSFOR-XVSDVWIESA-N 0 3 336.451 2.950 20 10 EFCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCCN(CC(F)(F)F)C2=O)c1 ZINC000186144151 473600334 /nfs/dbraw/zinc/60/03/34/473600334.db2.gz VVHBUHCVHKACNX-WCQYABFASA-N 0 3 330.350 2.905 20 10 EFCDHN Cc1ccc(O)c([C@H](C)N[C@@H]2CCCN(CC(F)(F)F)C2=O)c1 ZINC000186144151 473600341 /nfs/dbraw/zinc/60/03/41/473600341.db2.gz VVHBUHCVHKACNX-WCQYABFASA-N 0 3 330.350 2.905 20 10 EFCDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(CC(F)(F)F)C2=O)c([O-])c1 ZINC000186144421 473600457 /nfs/dbraw/zinc/60/04/57/473600457.db2.gz JEMFGOBVJARRPF-DGCLKSJQSA-N 0 3 330.350 2.905 20 10 EFCDHN CN(C)c1ccc(CN(C)C[C@H](O)COCc2ccccc2)cc1 ZINC000127475713 473617333 /nfs/dbraw/zinc/61/73/33/473617333.db2.gz XNAIPKOVQJNODW-FQEVSTJZSA-N 0 3 328.456 2.762 20 10 EFCDHN C[C@@H]1C[C@@H](NC(=O)NCc2c(O)ccc3c2CCCC3)CN1C1CC1 ZINC000127564817 473626190 /nfs/dbraw/zinc/62/61/90/473626190.db2.gz OMQYQJCCZBMWKW-UKRRQHHQSA-N 0 3 343.471 2.695 20 10 EFCDHN C[C@H]1C[C@@H](NC(=O)NCc2c(O)ccc3c2CCCC3)CN1C1CC1 ZINC000127565052 473626773 /nfs/dbraw/zinc/62/67/73/473626773.db2.gz OMQYQJCCZBMWKW-DZGCQCFKSA-N 0 3 343.471 2.695 20 10 EFCDHN Oc1ccccc1CN1CCN(c2ncnc3sccc32)CC1 ZINC000179555677 473694106 /nfs/dbraw/zinc/69/41/06/473694106.db2.gz CKYNVIVENPIDND-UHFFFAOYSA-N 0 3 326.425 2.719 20 10 EFCDHN O=C(c1cccc(F)c1)N1CCCN(Cc2ccccc2O)CC1 ZINC000179556520 473694857 /nfs/dbraw/zinc/69/48/57/473694857.db2.gz UQAXBFKUTABTLP-UHFFFAOYSA-N 0 3 328.387 2.879 20 10 EFCDHN C[C@@H]([NH2+][C@@H](C)CCN1CCN(C)CC1)c1cc(Cl)ccc1[O-] ZINC000186592542 473695545 /nfs/dbraw/zinc/69/55/45/473695545.db2.gz BPLQPCRVHXULMJ-UONOGXRCSA-N 0 3 325.884 2.722 20 10 EFCDHN COc1ccc(O)c(CN2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000179704426 473709550 /nfs/dbraw/zinc/70/95/50/473709550.db2.gz HVKBSCUUTNOHNX-CQSZACIVSA-N 0 3 336.432 2.890 20 10 EFCDHN COc1cccc(C[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)c1[O-] ZINC000179780010 473725020 /nfs/dbraw/zinc/72/50/20/473725020.db2.gz AESKMCKFUNXEAK-OAHLLOKOSA-N 0 3 338.411 2.823 20 10 EFCDHN COc1cccc(C[N@H+]2CCC[C@@H](c3nnc4ccccn43)C2)c1[O-] ZINC000179780010 473725025 /nfs/dbraw/zinc/72/50/25/473725025.db2.gz AESKMCKFUNXEAK-OAHLLOKOSA-N 0 3 338.411 2.823 20 10 EFCDHN CCCOc1ccc(C[NH+]2CCC(NC(=O)C3CC3)CC2)c([O-])c1 ZINC000179915392 473754221 /nfs/dbraw/zinc/75/42/21/473754221.db2.gz RZQSLXUOHWJDJB-UHFFFAOYSA-N 0 3 332.444 2.672 20 10 EFCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CCNC(=O)C(C)C)c1[O-] ZINC000186927011 473782569 /nfs/dbraw/zinc/78/25/69/473782569.db2.gz SFLHYKQMCFYLMN-LLVKDONJSA-N 0 3 343.265 2.886 20 10 EFCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CC(=O)NC(C)C)c1[O-] ZINC000186946131 473786803 /nfs/dbraw/zinc/78/68/03/473786803.db2.gz ARRNXKBZUGXLSN-SNVBAGLBSA-N 0 3 329.238 2.638 20 10 EFCDHN C[C@H]1C[C@@H](NC(=O)c2cccc(O)c2[O-])CC[N@@H+]1Cc1ccccc1 ZINC000187171189 473830232 /nfs/dbraw/zinc/83/02/32/473830232.db2.gz JYCLSZKVYNFZMK-HOCLYGCPSA-N 0 3 340.423 2.881 20 10 EFCDHN C[C@H]1C[C@@H](NC(=O)c2cccc(O)c2[O-])CC[N@H+]1Cc1ccccc1 ZINC000187171189 473830240 /nfs/dbraw/zinc/83/02/40/473830240.db2.gz JYCLSZKVYNFZMK-HOCLYGCPSA-N 0 3 340.423 2.881 20 10 EFCDHN COC[C@H](O)CC[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-] ZINC000187412695 473869536 /nfs/dbraw/zinc/86/95/36/473869536.db2.gz GHHFHCZUIRRHCF-ZYHUDNBSSA-N 0 3 332.238 2.511 20 10 EFCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H](C)C[S@](C)=O)c1[O-] ZINC000187540796 473883700 /nfs/dbraw/zinc/88/37/00/473883700.db2.gz LKISPBIXTZTTJJ-VOQFUICPSA-N 0 3 334.279 2.881 20 10 EFCDHN CCN(C)C(=O)C[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000187675744 473903479 /nfs/dbraw/zinc/90/34/79/473903479.db2.gz DIPNFIJLNFPFTB-UHFFFAOYSA-N 0 3 328.412 2.539 20 10 EFCDHN CCCOc1ccc(C[NH2+][C@H]2COc3ccccc3[C@@H]2O)c([O-])c1 ZINC000288715575 474029507 /nfs/dbraw/zinc/02/95/07/474029507.db2.gz ZOBVHSYMGZPSTL-LPHOPBHVSA-N 0 3 329.396 2.765 20 10 EFCDHN COc1ccc(O)c(CN2CCC(Oc3cncc(Cl)n3)CC2)c1 ZINC000275143108 474083773 /nfs/dbraw/zinc/08/37/73/474083773.db2.gz PEPPLVUDRHVWEA-UHFFFAOYSA-N 0 3 349.818 2.888 20 10 EFCDHN COc1cc([O-])c(C[N@@H+]2CCC[C@H](Cc3nccn3C)C2)cc1OC ZINC000182087930 474097075 /nfs/dbraw/zinc/09/70/75/474097075.db2.gz CGTPOIAAHPUPDE-CQSZACIVSA-N 0 3 345.443 2.598 20 10 EFCDHN COc1cc([O-])c(C[N@H+]2CCC[C@H](Cc3nccn3C)C2)cc1OC ZINC000182087930 474097082 /nfs/dbraw/zinc/09/70/82/474097082.db2.gz CGTPOIAAHPUPDE-CQSZACIVSA-N 0 3 345.443 2.598 20 10 EFCDHN COc1ccc(O)c(CNC[C@](O)(c2ccccc2)C(F)(F)F)c1 ZINC000182119668 474103322 /nfs/dbraw/zinc/10/33/22/474103322.db2.gz VXBPKCFGXCQTCE-INIZCTEOSA-N 0 3 341.329 2.941 20 10 EFCDHN CCOc1ccc([O-])c(C[NH2+][C@H]2CCO[C@@H]2c2c(C)nn(C)c2C)c1 ZINC000275224336 474109997 /nfs/dbraw/zinc/10/99/97/474109997.db2.gz CKBGBMUOHXTVLE-LPHOPBHVSA-N 0 3 345.443 2.761 20 10 EFCDHN COc1ccc([O-])c(C[NH2+]CCCC(=O)N2Cc3ccccc3C2)c1 ZINC000182254795 474134446 /nfs/dbraw/zinc/13/44/46/474134446.db2.gz DIGCSPOYTRPKDT-UHFFFAOYSA-N 0 3 340.423 2.813 20 10 EFCDHN CCCOc1ccc(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@H]2O)c([O-])c1 ZINC000282649629 474142097 /nfs/dbraw/zinc/14/20/97/474142097.db2.gz HTRAVFSBRMDIQH-APWZRJJASA-N 0 3 349.471 2.838 20 10 EFCDHN COc1ccc(O)c([C@H](C)N[C@@H]2CCN(c3ccccc3)C2=O)c1 ZINC000182322341 474149178 /nfs/dbraw/zinc/14/91/78/474149178.db2.gz FRBDYIPBTKYRCA-SUMWQHHRSA-N 0 3 326.396 2.857 20 10 EFCDHN COc1ccc(O)c([C@@H](C)N[C@@H](C)C(=O)NCc2ccccc2)c1 ZINC000182342814 474153035 /nfs/dbraw/zinc/15/30/35/474153035.db2.gz CXKKDLYCEDFHKZ-KGLIPLIRSA-N 0 3 328.412 2.756 20 10 EFCDHN Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NCc1ccc(N(C)C)c(F)c1 ZINC000275359375 474157172 /nfs/dbraw/zinc/15/71/72/474157172.db2.gz VIJIZFMZVKXICJ-LPHOPBHVSA-N 0 3 346.450 2.862 20 10 EFCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCCS(=O)(=O)c2ccccc2)c1 ZINC000182368577 474159700 /nfs/dbraw/zinc/15/97/00/474159700.db2.gz WFYIXINZWGTELM-CQSZACIVSA-N 0 3 349.452 2.915 20 10 EFCDHN C[C@@H](NCc1ccc(N2CCOCC2)cc1)c1cccc(CO)c1 ZINC000270541415 474163216 /nfs/dbraw/zinc/16/32/16/474163216.db2.gz XPIUBGQBECNVKJ-MRXNPFEDSA-N 0 3 326.440 2.866 20 10 EFCDHN COC(=O)C1(C[NH2+]Cc2cc(Br)cc(C)c2[O-])CC1 ZINC000188690819 474166213 /nfs/dbraw/zinc/16/62/13/474166213.db2.gz OSPNURHMOVTMPD-UHFFFAOYSA-N 0 3 328.206 2.506 20 10 EFCDHN CCCC[N@H+](C)CC1CCN(C(=O)c2ccc(C)c(O)c2[O-])CC1 ZINC000182437919 474175352 /nfs/dbraw/zinc/17/53/52/474175352.db2.gz JGCPCOQHUVMBJL-UHFFFAOYSA-N 0 3 334.460 2.990 20 10 EFCDHN CCCC[N@@H+](C)CC1CCN(C(=O)c2ccc(C)c(O)c2[O-])CC1 ZINC000182437919 474175355 /nfs/dbraw/zinc/17/53/55/474175355.db2.gz JGCPCOQHUVMBJL-UHFFFAOYSA-N 0 3 334.460 2.990 20 10 EFCDHN COCCn1cc(CN[C@H](C)c2cc3c(cc2O)CCCC3)cn1 ZINC000282763546 474184230 /nfs/dbraw/zinc/18/42/30/474184230.db2.gz OLBLSHWINGVROB-CQSZACIVSA-N 0 3 329.444 2.965 20 10 EFCDHN Cc1ccc(C(=O)NC2CC[NH+](C3CCCCC3)CC2)c([O-])c1O ZINC000182548052 474203864 /nfs/dbraw/zinc/20/38/64/474203864.db2.gz CQXIRKGROMZBTM-UHFFFAOYSA-N 0 3 332.444 2.933 20 10 EFCDHN COCCO[C@H]1CCN(Cc2cc(Br)cc(C)c2O)C1 ZINC000188824576 474208921 /nfs/dbraw/zinc/20/89/21/474208921.db2.gz CWJZUMLUTHXVOU-AWEZNQCLSA-N 0 3 344.249 2.700 20 10 EFCDHN CC(C)(CNC(=O)Cc1ccc(N)cc1)N1CCc2ccccc2C1 ZINC000236661546 474278366 /nfs/dbraw/zinc/27/83/66/474278366.db2.gz XXDRFJPGYDUKRR-UHFFFAOYSA-N 0 3 337.467 2.764 20 10 EFCDHN NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000182930757 474290299 /nfs/dbraw/zinc/29/02/99/474290299.db2.gz LENQWDMCVCYPGE-QGZVFWFLSA-N 0 3 340.423 2.669 20 10 EFCDHN NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000182930757 474290303 /nfs/dbraw/zinc/29/03/03/474290303.db2.gz LENQWDMCVCYPGE-QGZVFWFLSA-N 0 3 340.423 2.669 20 10 EFCDHN CCOc1cccc(CN2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c1O ZINC000289521187 474305842 /nfs/dbraw/zinc/30/58/42/474305842.db2.gz HDWLUYNPQPTXMQ-OLZOCXBDSA-N 0 3 333.350 2.784 20 10 EFCDHN Cc1ccc([O-])c(C[NH2+][C@H]2CN(Cc3ccccc3)CC[C@H]2CO)c1 ZINC000265780836 474333883 /nfs/dbraw/zinc/33/38/83/474333883.db2.gz OHEFUVQFNRLJCE-ICSRJNTNSA-N 0 3 340.467 2.673 20 10 EFCDHN C[C@H](c1ccccc1)[N@H+](CCN1CCNC1=O)Cc1ccccc1[O-] ZINC000289657534 474364849 /nfs/dbraw/zinc/36/48/49/474364849.db2.gz CRUUBXGPASOICJ-MRXNPFEDSA-N 0 3 339.439 2.981 20 10 EFCDHN C[C@H](c1ccccc1)[N@@H+](CCN1CCNC1=O)Cc1ccccc1[O-] ZINC000289657534 474364854 /nfs/dbraw/zinc/36/48/54/474364854.db2.gz CRUUBXGPASOICJ-MRXNPFEDSA-N 0 3 339.439 2.981 20 10 EFCDHN C[C@@H]([NH2+]CCNc1nccc(C(F)(F)F)n1)c1ccccc1[O-] ZINC000183521422 474388683 /nfs/dbraw/zinc/38/86/83/474388683.db2.gz BXFXJPGKBWJHEK-SNVBAGLBSA-N 0 3 326.322 2.964 20 10 EFCDHN C[C@H]([NH2+][C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO)c1ccccc1[O-] ZINC000183523525 474388949 /nfs/dbraw/zinc/38/89/49/474388949.db2.gz PWJZESALXKBREP-ILZDJORESA-N 0 3 340.467 2.926 20 10 EFCDHN COc1ccc(CN2CC[C@@H]([NH2+][C@@H](C)c3ccccc3[O-])C2=O)cc1 ZINC000183606349 474399371 /nfs/dbraw/zinc/39/93/71/474399371.db2.gz WHKWLRYCKNWNIW-KBXCAEBGSA-N 0 3 340.423 2.853 20 10 EFCDHN COC[C@@]1(CNCc2ccc(N(C)C)cc2)OCCc2ccccc21 ZINC000289738594 474403234 /nfs/dbraw/zinc/40/32/34/474403234.db2.gz GQQGXDMZEJGJEB-OAQYLSRUSA-N 0 3 340.467 2.957 20 10 EFCDHN Cc1cn[nH]c1CNCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000289742348 474405890 /nfs/dbraw/zinc/40/58/90/474405890.db2.gz DZVKXVIEZVMMOU-OKILXGFUSA-N 0 3 332.423 2.761 20 10 EFCDHN COC(=O)CN(CC[C@H]1CCC[N@@H+]1C)Cc1cc(Cl)ccc1[O-] ZINC000271206697 474441162 /nfs/dbraw/zinc/44/11/62/474441162.db2.gz GLXQDZYSLXILPW-OAHLLOKOSA-N 0 3 340.851 2.505 20 10 EFCDHN COC(=O)CN(CC[C@H]1CCC[N@H+]1C)Cc1cc(Cl)ccc1[O-] ZINC000271206697 474441171 /nfs/dbraw/zinc/44/11/71/474441171.db2.gz GLXQDZYSLXILPW-OAHLLOKOSA-N 0 3 340.851 2.505 20 10 EFCDHN CN(C)c1ccc(CN2CCC[C@@H]([C@@H](O)c3nccn3C)C2)cc1F ZINC000271276144 474471162 /nfs/dbraw/zinc/47/11/62/474471162.db2.gz KZGNQEGQZIGJSU-CRAIPNDOSA-N 0 3 346.450 2.571 20 10 EFCDHN CCCNC(=O)OC[C@H]1CCCCN1Cc1cccc(OC)c1O ZINC000289942791 474496211 /nfs/dbraw/zinc/49/62/11/474496211.db2.gz XFKJHEUMTYNIRK-OAHLLOKOSA-N 0 3 336.432 2.892 20 10 EFCDHN CCN1CCN(c2cccc(NC(=O)c3ccc4[nH]cnc4c3)c2)CC1 ZINC000184509117 474532324 /nfs/dbraw/zinc/53/23/24/474532324.db2.gz XOOLCZHQEQJPLW-UHFFFAOYSA-N 0 3 349.438 2.957 20 10 EFCDHN O=S1(=O)CCC[C@H](C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000290143283 474559253 /nfs/dbraw/zinc/55/92/53/474559253.db2.gz OERWKYTWQUFYQN-OAHLLOKOSA-N 0 3 345.464 2.974 20 10 EFCDHN COc1ccc(O)c(CNCc2ccncc2OC[C@H]2CCOC2)c1 ZINC000290210393 474562444 /nfs/dbraw/zinc/56/24/44/474562444.db2.gz QLLJGEBPSXJHKO-AWEZNQCLSA-N 0 3 344.411 2.501 20 10 EFCDHN CC(C)(C[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-])OCCO ZINC000290250191 474563194 /nfs/dbraw/zinc/56/31/94/474563194.db2.gz VRMZVMQVJASHFN-UHFFFAOYSA-N 0 3 345.439 2.848 20 10 EFCDHN [O-]c1ccc(F)cc1C[NH2+][C@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000290390682 474569280 /nfs/dbraw/zinc/56/92/80/474569280.db2.gz ITZVPTIHHAUIKR-APWZRJJASA-N 0 3 344.430 2.504 20 10 EFCDHN C[C@H]([NH2+]C1CCN(S(=O)(=O)C(C)(C)C)CC1)c1ccccc1[O-] ZINC000277235786 474580555 /nfs/dbraw/zinc/58/05/55/474580555.db2.gz NTMRIJZNLURUAN-ZDUSSCGKSA-N 0 3 340.489 2.636 20 10 EFCDHN CCOc1ccc([O-])c(C[NH2+]CCOCC(F)(F)C(F)F)c1 ZINC000277473303 474587920 /nfs/dbraw/zinc/58/79/20/474587920.db2.gz KPBDRUQJCTYGHT-UHFFFAOYSA-N 0 3 325.302 2.798 20 10 EFCDHN COc1ccc([O-])c([C@H](C)[NH2+]CCn2cc(Br)cn2)c1 ZINC000271823780 474595920 /nfs/dbraw/zinc/59/59/20/474595920.db2.gz OCNOULYIMNQFHI-JTQLQIEISA-N 0 3 340.221 2.711 20 10 EFCDHN COc1cc(O)c(CN[C@H](C)c2ccc([S@@](C)=O)cc2)cc1OC ZINC000271864949 474596903 /nfs/dbraw/zinc/59/69/03/474596903.db2.gz WACRGBMRCIPHKG-OIRASMEMSA-N 0 3 349.452 2.998 20 10 EFCDHN [O-]c1cc2c(cc1C[NH2+]C[C@@H]1COC3(CCCCCC3)O1)OCO2 ZINC000271964253 474599103 /nfs/dbraw/zinc/59/91/03/474599103.db2.gz GSCBJPFTRIDQOL-CQSZACIVSA-N 0 3 335.400 2.676 20 10 EFCDHN COc1c([O-])c(CNCCC[NH+](C(C)C)C(C)C)ccc1[N+](=O)[O-] ZINC000278106299 474601417 /nfs/dbraw/zinc/60/14/17/474601417.db2.gz ATBIBZXVJWSYAM-UHFFFAOYSA-N 0 3 339.436 2.908 20 10 EFCDHN CN(C)c1ccc(CN(CCn2ccc([N+](=O)[O-])n2)C2CC2)cc1 ZINC000267156873 474604504 /nfs/dbraw/zinc/60/45/04/474604504.db2.gz DTRNYABZQDFZIJ-UHFFFAOYSA-N 0 3 329.404 2.522 20 10 EFCDHN COC(=O)[C@H]1CCCC[C@]1(C)[NH2+]Cc1cc(OC)c(OC)cc1[O-] ZINC000272404790 474610537 /nfs/dbraw/zinc/61/05/37/474610537.db2.gz JVSBBBPNXNJXMS-ACJLOTCBSA-N 0 3 337.416 2.621 20 10 EFCDHN Oc1cc2c(cc1CN1CC[C@@]3(C1)OCc1ccccc13)OCO2 ZINC000184812062 474613132 /nfs/dbraw/zinc/61/31/32/474613132.db2.gz HGBLTDODRDYRRF-IBGZPJMESA-N 0 3 325.364 2.752 20 10 EFCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@]3(C1)OCc1ccccc13)OCO2 ZINC000184812062 474613139 /nfs/dbraw/zinc/61/31/39/474613139.db2.gz HGBLTDODRDYRRF-IBGZPJMESA-N 0 3 325.364 2.752 20 10 EFCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@@]3(C1)OCc1ccccc13)OCO2 ZINC000184812062 474613145 /nfs/dbraw/zinc/61/31/45/474613145.db2.gz HGBLTDODRDYRRF-IBGZPJMESA-N 0 3 325.364 2.752 20 10 EFCDHN Cc1cc(C(=O)N[C@@H](C)C2=CCN(C)CC2)c(C)n1-c1ccccn1 ZINC000272751531 474624695 /nfs/dbraw/zinc/62/46/95/474624695.db2.gz OHTKAYAOLUHAHG-HNNXBMFYSA-N 0 3 338.455 2.869 20 10 EFCDHN CCN(CC)c1ccc(CNC(=O)N[C@@H](C)C2=CCN(C)CC2)cc1 ZINC000272768747 474625334 /nfs/dbraw/zinc/62/53/34/474625334.db2.gz PUMHBYBWKANGPD-INIZCTEOSA-N 0 3 344.503 2.982 20 10 EFCDHN CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@H](C)c1ccccc1[O-] ZINC000272793702 474625350 /nfs/dbraw/zinc/62/53/50/474625350.db2.gz AAIWRRFWPBZHBJ-ACJLOTCBSA-N 0 3 337.423 2.881 20 10 EFCDHN C[C@@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)C1=CCN(C)CC1 ZINC000272759803 474625401 /nfs/dbraw/zinc/62/54/01/474625401.db2.gz OQZGLMODROAAKX-MRXNPFEDSA-N 0 3 340.471 2.512 20 10 EFCDHN C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1CO)c1ccccc1[O-] ZINC000272819729 474626647 /nfs/dbraw/zinc/62/66/47/474626647.db2.gz FMBRSHZOKMFQPX-XKGZKEIXSA-N 0 3 340.467 2.926 20 10 EFCDHN CCN(Cc1ccccc1)c1ccc(CN[C@@H](C)C(=O)NC)cc1 ZINC000291763851 474676194 /nfs/dbraw/zinc/67/61/94/474676194.db2.gz RVTUJYHWDCVBEV-INIZCTEOSA-N 0 3 325.456 2.937 20 10 EFCDHN COc1c([O-])c(C[NH2+]C[C@@H]2CCCN(C(C)C)C2)ccc1[N+](=O)[O-] ZINC000278563395 474704336 /nfs/dbraw/zinc/70/43/36/474704336.db2.gz BPBXFXUUPHLBSR-ZDUSSCGKSA-N 0 3 337.420 2.519 20 10 EFCDHN COc1c([O-])c(CNC[C@@H]2CCC[N@@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000278563395 474704343 /nfs/dbraw/zinc/70/43/43/474704343.db2.gz BPBXFXUUPHLBSR-ZDUSSCGKSA-N 0 3 337.420 2.519 20 10 EFCDHN COc1c([O-])c(CNC[C@@H]2CCC[N@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000278563395 474704350 /nfs/dbraw/zinc/70/43/50/474704350.db2.gz BPBXFXUUPHLBSR-ZDUSSCGKSA-N 0 3 337.420 2.519 20 10 EFCDHN Cc1cc(Cl)cc(C[NH2+][C@H]2CCCN(c3ccnn3C)C2)c1[O-] ZINC000278575182 474714642 /nfs/dbraw/zinc/71/46/42/474714642.db2.gz CNJCNYLWDYMANC-HNNXBMFYSA-N 0 3 334.851 2.846 20 10 EFCDHN [O-]c1cc2c(cc1C[NH2+]CCc1cc(C(F)(F)F)ccn1)OCO2 ZINC000293015700 474766865 /nfs/dbraw/zinc/76/68/65/474766865.db2.gz QDSYBNLKCDNSRS-UHFFFAOYSA-N 0 3 340.301 2.867 20 10 EFCDHN CCO[C@H]1C[C@H](O)C12CCN(Cc1ccc(N(C)C)c(C)c1)CC2 ZINC000293026985 474772747 /nfs/dbraw/zinc/77/27/47/474772747.db2.gz IRLFWMORFQRUMR-OALUTQOASA-N 0 3 332.488 2.813 20 10 EFCDHN CCCN(Cc1ccccc1O)C(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000268113578 474805422 /nfs/dbraw/zinc/80/54/22/474805422.db2.gz DCGGEVNBAGTGBW-PBHICJAKSA-N 0 3 331.460 2.797 20 10 EFCDHN CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000268113582 474805472 /nfs/dbraw/zinc/80/54/72/474805472.db2.gz DCGGEVNBAGTGBW-RHSMWYFYSA-N 0 3 331.460 2.797 20 10 EFCDHN CC[C@@H]([NH2+][C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C)c1ccccc1[O-] ZINC000284882727 474811903 /nfs/dbraw/zinc/81/19/03/474811903.db2.gz RDMDDCVWHIGZDV-SPYBWZPUSA-N 0 3 342.443 2.529 20 10 EFCDHN C[C@H]([NH2+][C@@H]1CCCN(Cc2ccccn2)C1=O)c1ccccc1[O-] ZINC000273268531 474814084 /nfs/dbraw/zinc/81/40/84/474814084.db2.gz OCCQWDQLUMTPGM-WMLDXEAASA-N 0 3 325.412 2.629 20 10 EFCDHN COc1cc(O)c(CNCc2ccc3c(n2)CCCC3)cc1OC ZINC000278755622 474814546 /nfs/dbraw/zinc/81/45/46/474814546.db2.gz SLYWYGUNILDJPH-UHFFFAOYSA-N 0 3 328.412 2.973 20 10 EFCDHN Cc1ccc([O-])c([C@H](C)[NH2+]Cc2ccc(NS(C)(=O)=O)cc2)c1 ZINC000273364680 474862062 /nfs/dbraw/zinc/86/20/62/474862062.db2.gz DQEZZTUQYPENBK-ZDUSSCGKSA-N 0 3 334.441 2.923 20 10 EFCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H](C(C)C)N2CCN(C)CC2)c([O-])c1C ZINC000273389257 474874910 /nfs/dbraw/zinc/87/49/10/474874910.db2.gz KIZBDRQAWKFXGP-HKUYNNGSSA-N 0 3 333.520 2.932 20 10 EFCDHN CCNC(=O)COc1cccc(C[NH2+][C@H](C)c2cc(F)ccc2[O-])c1 ZINC000273393920 474876323 /nfs/dbraw/zinc/87/63/23/474876323.db2.gz LLCVPFCOUSPYSI-CYBMUJFWSA-N 0 3 346.402 2.897 20 10 EFCDHN Cc1ccc(O)c([C@H](C)NCCS(=O)(=O)Cc2ccccc2)c1 ZINC000273413810 474887536 /nfs/dbraw/zinc/88/75/36/474887536.db2.gz QHNFQMDEXRBCQW-HNNXBMFYSA-N 0 3 333.453 2.966 20 10 EFCDHN C[C@@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C1=O)c1cc(F)ccc1[O-] ZINC000273457936 474909323 /nfs/dbraw/zinc/90/93/23/474909323.db2.gz HJXIRJMCGCJCHF-CXAGYDPISA-N 0 3 328.387 2.983 20 10 EFCDHN COc1ccc(O)c([C@H](C)N[C@H]2CCN(Cc3ccccc3)C2=O)c1 ZINC000273464416 474912392 /nfs/dbraw/zinc/91/23/92/474912392.db2.gz IPKDDQPNSHMNNQ-KSSFIOAISA-N 0 3 340.423 2.853 20 10 EFCDHN COc1ccc(CNC(=O)C[NH2+][C@@H](C)c2c(C)cc(C)cc2[O-])cc1 ZINC000285225803 474934746 /nfs/dbraw/zinc/93/47/46/474934746.db2.gz PCGHJGXUBZLOEF-HNNXBMFYSA-N 0 3 342.439 2.985 20 10 EFCDHN COc1ccc(CNC(=O)CN[C@@H](C)c2c(C)cc(C)cc2O)cc1 ZINC000285225803 474934752 /nfs/dbraw/zinc/93/47/52/474934752.db2.gz PCGHJGXUBZLOEF-HNNXBMFYSA-N 0 3 342.439 2.985 20 10 EFCDHN COc1ccc(CNC(=O)C[NH2+][C@H](C)c2c(C)cc(C)cc2[O-])cc1 ZINC000285225808 474935273 /nfs/dbraw/zinc/93/52/73/474935273.db2.gz PCGHJGXUBZLOEF-OAHLLOKOSA-N 0 3 342.439 2.985 20 10 EFCDHN COc1ccc(CNC(=O)CN[C@H](C)c2c(C)cc(C)cc2O)cc1 ZINC000285225808 474935277 /nfs/dbraw/zinc/93/52/77/474935277.db2.gz PCGHJGXUBZLOEF-OAHLLOKOSA-N 0 3 342.439 2.985 20 10 EFCDHN Cc1ccc([C@@H](C)[NH2+]Cc2cccc(OCC(N)=O)c2)c([O-])c1C ZINC000273584481 474975211 /nfs/dbraw/zinc/97/52/11/474975211.db2.gz NLPILEJTXHKEPY-CQSZACIVSA-N 0 3 328.412 2.724 20 10 EFCDHN CC[C@@H]([NH2+]CCCOCCOCCOC)c1ccc(C)cc1[O-] ZINC000279940170 475000684 /nfs/dbraw/zinc/00/06/84/475000684.db2.gz BDHKPKHZIINCJA-QGZVFWFLSA-N 0 3 325.449 2.811 20 10 EFCDHN CC[C@H]([NH2+][C@@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc(C)cc1[O-] ZINC000280075611 475008122 /nfs/dbraw/zinc/00/81/22/475008122.db2.gz LJLUQYIOMNDYNH-JKSUJKDBSA-N 0 3 342.443 2.670 20 10 EFCDHN CC[C@@H]([NH2+]C1CCN(C(=O)CCOC)CC1)c1ccc(C)cc1[O-] ZINC000280237045 475016507 /nfs/dbraw/zinc/01/65/07/475016507.db2.gz VQPDDQOVGMDFRL-QGZVFWFLSA-N 0 3 334.460 2.769 20 10 EFCDHN C[C@]1(C(N)=O)CC[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000280298659 475019606 /nfs/dbraw/zinc/01/96/06/475019606.db2.gz ORUVJSXYXHSREP-FQEVSTJZSA-N 0 3 340.423 2.669 20 10 EFCDHN C[C@]1(C(N)=O)CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000280298659 475019611 /nfs/dbraw/zinc/01/96/11/475019611.db2.gz ORUVJSXYXHSREP-FQEVSTJZSA-N 0 3 340.423 2.669 20 10 EFCDHN CN(C)c1ccc(CN[C@@H]2CCCN(C(=O)N3CCCC3)C2)cc1 ZINC000285457807 475026541 /nfs/dbraw/zinc/02/65/41/475026541.db2.gz JPLWPTHZTJQKQA-QGZVFWFLSA-N 0 3 330.476 2.522 20 10 EFCDHN CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C)c1ccccc1[O-] ZINC000285533798 475030259 /nfs/dbraw/zinc/03/02/59/475030259.db2.gz CTVDNBXBVWCVCS-MMNRESRNSA-N 0 3 345.487 2.517 20 10 EFCDHN CCCOc1ccc(CN2C[C@H](C)OC3(CCOCC3)C2)c(O)c1 ZINC000280595604 475036763 /nfs/dbraw/zinc/03/67/63/475036763.db2.gz XTDFIXYKSQQAOU-HNNXBMFYSA-N 0 3 335.444 2.951 20 10 EFCDHN CCS[C@H]1CCC[C@H]1NCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000285708620 475038138 /nfs/dbraw/zinc/03/81/38/475038138.db2.gz DDWCCDFDACUQPB-MSOLQXFVSA-N 0 3 349.544 2.975 20 10 EFCDHN CCS[C@@H]1CCC[C@H]1NCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000285708623 475038206 /nfs/dbraw/zinc/03/82/06/475038206.db2.gz DDWCCDFDACUQPB-QZTJIDSGSA-N 0 3 349.544 2.975 20 10 EFCDHN C[C@H](N[C@H]1CCCc2c1cnn2C)c1ccc(N2CCOCC2)cc1 ZINC000268800306 475041608 /nfs/dbraw/zinc/04/16/08/475041608.db2.gz HJTUGUUYSQBWAF-KXBFYZLASA-N 0 3 340.471 2.985 20 10 EFCDHN C[C@@H](NCc1ccc(N(C)C)cc1)c1ccc2c(c1)OCC(=O)N2 ZINC000285802165 475042711 /nfs/dbraw/zinc/04/27/11/475042711.db2.gz VHHGEYHDASTFJZ-CYBMUJFWSA-N 0 3 325.412 2.934 20 10 EFCDHN COc1cc(Cl)cc(CN2CCC3(CC2)OCCCO3)c1O ZINC000293616153 475043000 /nfs/dbraw/zinc/04/30/00/475043000.db2.gz KKGNOBISWOOJRD-UHFFFAOYSA-N 0 3 327.808 2.783 20 10 EFCDHN CNS(=O)(=O)c1cccc(CN[C@@H](C)c2c(C)cc(C)cc2O)c1 ZINC000293620884 475043154 /nfs/dbraw/zinc/04/31/54/475043154.db2.gz HBTHGHLSZJRZCT-AWEZNQCLSA-N 0 3 348.468 2.768 20 10 EFCDHN CC[C@H]([NH2+]C[C@H](N1CCOCC1)C(F)(F)F)c1ccccc1[O-] ZINC000285859346 475044350 /nfs/dbraw/zinc/04/43/50/475044350.db2.gz ZOHXNJFZAHBLNR-ZFWWWQNUSA-N 0 3 332.366 2.696 20 10 EFCDHN C[C@@H](NC[C@@H](O)c1cnn(C)c1)c1ccc(N2CCCCC2)cc1 ZINC000268854834 475046167 /nfs/dbraw/zinc/04/61/67/475046167.db2.gz CTAZANGKFXYQKC-DNVCBOLYSA-N 0 3 328.460 2.795 20 10 EFCDHN O=C(NC1CC1)N[C@@H]1CCN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC000273768528 475049346 /nfs/dbraw/zinc/04/93/46/475049346.db2.gz QLSGTPQAOSJMLE-GOSISDBHSA-N 0 3 342.487 2.713 20 10 EFCDHN CCCOc1ccc(C[NH2+][C@H](C2CC2)C2(CO)CCOCC2)c([O-])c1 ZINC000293743485 475050346 /nfs/dbraw/zinc/05/03/46/475050346.db2.gz WBLDGXOMGPJDGE-LJQANCHMSA-N 0 3 349.471 2.838 20 10 EFCDHN CSC[C@](C)(O)CNCc1ccc(N(C)C)cc1C(F)(F)F ZINC000280884612 475054424 /nfs/dbraw/zinc/05/44/24/475054424.db2.gz NJZXMPXVUZIFTB-CQSZACIVSA-N 0 3 336.423 2.975 20 10 EFCDHN Cc1cc(C)c([C@H](C)[NH2+]Cc2cccc(OCC(N)=O)c2)c([O-])c1 ZINC000294604545 475075359 /nfs/dbraw/zinc/07/53/59/475075359.db2.gz DJIPYZKINFORJJ-AWEZNQCLSA-N 0 3 328.412 2.724 20 10 EFCDHN CCOc1ccc([O-])c(C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c1 ZINC000294792243 475082745 /nfs/dbraw/zinc/08/27/45/475082745.db2.gz MAEQNQZUKMVFAP-LSDHHAIUSA-N 0 3 340.423 2.572 20 10 EFCDHN CCOc1ccc([O-])c(C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c1 ZINC000294792243 475082759 /nfs/dbraw/zinc/08/27/59/475082759.db2.gz MAEQNQZUKMVFAP-LSDHHAIUSA-N 0 3 340.423 2.572 20 10 EFCDHN Oc1cc2c(cc1CNCc1ccnc(C(F)(F)F)c1)OCO2 ZINC000294953634 475093373 /nfs/dbraw/zinc/09/33/73/475093373.db2.gz DHJIVMKQOSVROV-UHFFFAOYSA-N 0 3 326.274 2.825 20 10 EFCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+][C@@H]1CCCN(CCCO)C1 ZINC000295022759 475099036 /nfs/dbraw/zinc/09/90/36/475099036.db2.gz CKKGNPGEXLFPAD-HXUWFJFHSA-N 0 3 340.467 2.996 20 10 EFCDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c1 ZINC000295125037 475105147 /nfs/dbraw/zinc/10/51/47/475105147.db2.gz NWBIHPQLIZORNC-LCSDZXHASA-N 0 3 348.443 2.917 20 10 EFCDHN CCOc1ccc([O-])c(C[NH2+][C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c1 ZINC000295188101 475111580 /nfs/dbraw/zinc/11/15/80/475111580.db2.gz WWYAQTCIQXMPJS-QLPKVWCKSA-N 0 3 348.443 2.746 20 10 EFCDHN CCNC(=O)[C@@H](C)NCc1ccc(N(C)Cc2cccs2)cc1 ZINC000295401248 475124629 /nfs/dbraw/zinc/12/46/29/475124629.db2.gz MDKAJOGSFPPOEW-CQSZACIVSA-N 0 3 331.485 2.999 20 10 EFCDHN C[C@H]([NH2+]CC1(S(C)(=O)=O)CCC1)c1cc2c(cc1[O-])CCCC2 ZINC000281287865 475154032 /nfs/dbraw/zinc/15/40/32/475154032.db2.gz XXJPVUABJLIDBI-ZDUSSCGKSA-N 0 3 337.485 2.889 20 10 EFCDHN C[C@H](NCC1(S(C)(=O)=O)CCC1)c1cc2c(cc1O)CCCC2 ZINC000281287865 475154038 /nfs/dbraw/zinc/15/40/38/475154038.db2.gz XXJPVUABJLIDBI-ZDUSSCGKSA-N 0 3 337.485 2.889 20 10 EFCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCCN(C(=O)N3CCCC3)C2)c1 ZINC000287563195 475196851 /nfs/dbraw/zinc/19/68/51/475196851.db2.gz QGGSZDJCPLGYGQ-GJZGRUSLSA-N 0 3 347.459 2.732 20 10 EFCDHN Cc1c2ccccc2n(C)c1CNC(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000350090485 476045015 /nfs/dbraw/zinc/04/50/15/476045015.db2.gz ZVRIXHSLAQTVFP-CVEARBPZSA-N 0 3 340.471 2.865 20 10 EFCDHN Cc1ccc([C@H](C)N[C@@H]2CCCN(c3ccn(C)n3)C2=O)c(O)c1C ZINC000359878973 476269584 /nfs/dbraw/zinc/26/95/84/476269584.db2.gz YPKDOACRGXVHRC-GOEBONIOSA-N 0 3 342.443 2.589 20 10 EFCDHN COc1ccc(O)c(CN2CCCN(c3ncccc3F)CC2)c1 ZINC000369033000 476386467 /nfs/dbraw/zinc/38/64/67/476386467.db2.gz RYMXLWJDJIVNMZ-UHFFFAOYSA-N 0 3 331.391 2.647 20 10 EFCDHN Cc1ccc([C@@H](C)[NH2+][C@H]2CCN(c3ccccc3C(N)=O)C2)c([O-])c1 ZINC000373255281 476389339 /nfs/dbraw/zinc/38/93/39/476389339.db2.gz JLMNOHFRZNYDRC-CABCVRRESA-N 0 3 339.439 2.729 20 10 EFCDHN NC(=O)C1CCN(Cc2ccc3c(c2)CCN3Cc2ccccc2)CC1 ZINC000377646612 476496435 /nfs/dbraw/zinc/49/64/35/476496435.db2.gz JAYOPBVEJGKUAP-UHFFFAOYSA-N 0 3 349.478 2.947 20 10 EFCDHN C[C@H]([NH2+]CCCN1C(=O)NC2(CCCCC2)C1=O)c1ccccc1[O-] ZINC000374708686 476497055 /nfs/dbraw/zinc/49/70/55/476497055.db2.gz BPQAEUCRRYOBRL-AWEZNQCLSA-N 0 3 345.443 2.688 20 10 EFCDHN CC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000374783371 476527879 /nfs/dbraw/zinc/52/78/79/476527879.db2.gz QUBOYQTWAVSTRB-GFCCVEGCSA-N 0 3 332.379 2.592 20 10 EFCDHN CC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000374783371 476527882 /nfs/dbraw/zinc/52/78/82/476527882.db2.gz QUBOYQTWAVSTRB-GFCCVEGCSA-N 0 3 332.379 2.592 20 10 EFCDHN C[C@@H]1C[N@H+](Cc2cccc(Cl)c2[O-])CC[C@@H]1N1CCN(C)CC1 ZINC000375021040 476641742 /nfs/dbraw/zinc/64/17/42/476641742.db2.gz NVYHUSYLJXIYNI-PBHICJAKSA-N 0 3 337.895 2.503 20 10 EFCDHN C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])CC[C@@H]1N1CCN(C)CC1 ZINC000375021040 476641745 /nfs/dbraw/zinc/64/17/45/476641745.db2.gz NVYHUSYLJXIYNI-PBHICJAKSA-N 0 3 337.895 2.503 20 10 EFCDHN C[C@@H]1CN(Cc2cccc(Cl)c2[O-])CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000375021040 476641748 /nfs/dbraw/zinc/64/17/48/476641748.db2.gz NVYHUSYLJXIYNI-PBHICJAKSA-N 0 3 337.895 2.503 20 10 EFCDHN Cc1ncc(/C=C/C(=O)N2C[C@H](CN(C)C)Oc3ccccc32)s1 ZINC000370504293 476845263 /nfs/dbraw/zinc/84/52/63/476845263.db2.gz GGADYRZOQLDDKZ-VFNNOXKTSA-N 0 3 343.452 2.821 20 10 EFCDHN C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)Cc1ccc(N)cc1 ZINC000370773180 476978783 /nfs/dbraw/zinc/97/87/83/476978783.db2.gz MZPQRPPFRRYJKE-UZLBHIALSA-N 0 3 337.467 2.838 20 10 EFCDHN CCOc1cccc(C[NH+]2CCC(OC[C@H]3CCOC3)CC2)c1[O-] ZINC000371801090 477500935 /nfs/dbraw/zinc/50/09/35/477500935.db2.gz FDARYKGOCLCKOZ-HNNXBMFYSA-N 0 3 335.444 2.808 20 10 EFCDHN CC[C@H]([NH2+][C@@H]1CCN(c2ccccc2C(N)=O)C1)c1ccccc1[O-] ZINC000368408794 477804001 /nfs/dbraw/zinc/80/40/01/477804001.db2.gz FMRIVNJLROFCLH-PBHICJAKSA-N 0 3 339.439 2.811 20 10 EFCDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+]C[C@@H]1COCCN1 ZINC000530222559 477878646 /nfs/dbraw/zinc/87/86/46/477878646.db2.gz GFYCFYBJJJOLLN-IEBWSBKVSA-N 0 3 326.440 2.644 20 10 EFCDHN Cc1c2ccccc2n(C)c1CNC(=O)N(CCN(C)C)C(C)C ZINC000472218887 478013105 /nfs/dbraw/zinc/01/31/05/478013105.db2.gz APGKJYLSCNGMQZ-UHFFFAOYSA-N 0 3 330.476 2.968 20 10 EFCDHN Cc1c2ccccc2n(C)c1CNCCN1C(=O)c2ccccc2C1=O ZINC000475200119 478017186 /nfs/dbraw/zinc/01/71/86/478017186.db2.gz YSMKHTSJRPJHHO-UHFFFAOYSA-N 0 3 347.418 2.873 20 10 EFCDHN COc1cccc([C@H](C[NH2+]Cc2cc3c(cc2[O-])OCO3)OC)c1 ZINC000527735346 478497664 /nfs/dbraw/zinc/49/76/64/478497664.db2.gz IWTRVTDNPGXWSP-SFHVURJKSA-N 0 3 331.368 2.607 20 10 EFCDHN CN(C)CCNC(=O)c1ccc(NCc2cc(Cl)ccc2O)cc1 ZINC000527761353 478507581 /nfs/dbraw/zinc/50/75/81/478507581.db2.gz CUHGKJZGVHTVGD-UHFFFAOYSA-N 0 3 347.846 2.949 20 10 EFCDHN C[C@@H](CNC(=O)NCc1ccc(N2CCCC2)cc1)N(C)C1CC1 ZINC000171632892 533970327 /nfs/dbraw/zinc/97/03/27/533970327.db2.gz TZSRKCYINPKYSY-HNNXBMFYSA-N 0 3 330.476 2.569 20 10 EFCDHN Cc1ccc(O)c(CNCCS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000172116240 534196841 /nfs/dbraw/zinc/19/68/41/534196841.db2.gz GWKAPQXBKSPKFP-UHFFFAOYSA-N 0 3 339.844 2.918 20 10 EFCDHN CS(=O)(=O)Cc1cccc(C[NH2+][C@@H]2CCc3cccc([O-])c32)c1 ZINC000297759979 525143489 /nfs/dbraw/zinc/14/34/89/525143489.db2.gz ORIFDRRXTBVFQH-MRXNPFEDSA-N 0 3 331.437 2.714 20 10 EFCDHN CC[C@@H](NCc1ccccc1S(=O)(=O)N(C)C)c1ccccc1O ZINC000155050891 529186880 /nfs/dbraw/zinc/18/68/80/529186880.db2.gz QGKKNCNVAQACLT-MRXNPFEDSA-N 0 3 348.468 2.883 20 10 EFCDHN CCN(C)C(=O)CNCc1ccc(N(C)Cc2cccs2)cc1 ZINC000295460981 535727096 /nfs/dbraw/zinc/72/70/96/535727096.db2.gz QUIKTSYQENHJAG-UHFFFAOYSA-N 0 3 331.485 2.952 20 10 EFCDHN COC[C@@H](CCO)NCc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000367225648 536609279 /nfs/dbraw/zinc/60/92/79/536609279.db2.gz UPQHXLSHYXWJFP-HXUWFJFHSA-N 0 3 340.467 2.736 20 10 EFCDHN COC(=O)c1ccc(CN(C)Cc2cc3c(cc2O)OCO3)cc1 ZINC000298320671 536657770 /nfs/dbraw/zinc/65/77/70/536657770.db2.gz RRIHHDJGSQJMOQ-UHFFFAOYSA-N 0 3 329.352 2.540 20 10 EFCDHN COCC(=O)Nc1cccc(CN[C@@H](C)c2cc(OC)ccc2O)c1 ZINC000756378406 575726499 /nfs/dbraw/zinc/72/64/99/575726499.db2.gz CWMVBALVXSWYOS-ZDUSSCGKSA-N 0 3 344.411 2.837 20 10 EFCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]Cc2cccc(NS(C)(=O)=O)c2)c1 ZINC000756384081 575727473 /nfs/dbraw/zinc/72/74/73/575727473.db2.gz NEKVOPKAFUDSSD-CYBMUJFWSA-N 0 3 334.441 2.923 20 10 EFCDHN C[C@H]([NH2+]Cc1cccc(NS(C)(=O)=O)c1)c1cc(F)ccc1[O-] ZINC000756385548 575727671 /nfs/dbraw/zinc/72/76/71/575727671.db2.gz RWWWILUUBILMTP-NSHDSACASA-N 0 3 338.404 2.754 20 10 EFCDHN CNS(=O)(=O)Cc1ccc(C[NH2+][C@@H](C)c2cc(C)ccc2[O-])cc1 ZINC000756447358 575741545 /nfs/dbraw/zinc/74/15/45/575741545.db2.gz UQYQVZWDHPNSGP-AWEZNQCLSA-N 0 3 348.468 2.601 20 10 EFCDHN Cc1ccc([C@@H](C)NCCNS(=O)(=O)c2ccccc2)c(O)c1C ZINC000756484569 575747326 /nfs/dbraw/zinc/74/73/26/575747326.db2.gz YTBZRGQRJWBDRK-OAHLLOKOSA-N 0 3 348.468 2.638 20 10 EFCDHN Cc1ccc([C@@H](C)[NH2+]CCNS(=O)(=O)c2ccccc2)c([O-])c1C ZINC000756484569 575747327 /nfs/dbraw/zinc/74/73/27/575747327.db2.gz YTBZRGQRJWBDRK-OAHLLOKOSA-N 0 3 348.468 2.638 20 10 EFCDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCN(C(=O)C3CCCC3)C2)c1 ZINC000756661167 575773971 /nfs/dbraw/zinc/77/39/71/575773971.db2.gz YYYNYRYYRHHBJI-UKRRQHHQSA-N 0 3 332.444 2.843 20 10 EFCDHN C[C@@H]1C[C@H]([NH2+]CCS(=O)(=O)C(C)(C)C)c2c1c(F)ccc2[O-] ZINC000756709436 575779569 /nfs/dbraw/zinc/77/95/69/575779569.db2.gz ZKRXUMJPTARLLJ-PWSUYJOCSA-N 0 3 329.437 2.883 20 10 EFCDHN C[C@@H]([NH2+]Cc1ccc2c(c1)CCS2(=O)=O)c1cc(F)ccc1[O-] ZINC000756757441 575784297 /nfs/dbraw/zinc/78/42/97/575784297.db2.gz NQLKHVMQZRRCEH-LLVKDONJSA-N 0 3 335.400 2.712 20 10 EFCDHN C[C@H](NCCS(=O)(=O)CC1CC1)c1cc2c(cc1O)CCCC2 ZINC000756763707 575785060 /nfs/dbraw/zinc/78/50/60/575785060.db2.gz XNXQHYQECJFDJE-ZDUSSCGKSA-N 0 3 337.485 2.746 20 10 EFCDHN COc1ccc(O)c([C@H](C)N[C@H]2CCN(C3CCCCC3)C2=O)c1 ZINC000756763775 575785246 /nfs/dbraw/zinc/78/52/46/575785246.db2.gz YSLYNQLPNBJQJZ-GUYCJALGSA-N 0 3 332.444 2.985 20 10 EFCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H](CO)C[C@@H](O)c2ccccc2)c1 ZINC000756770058 575785565 /nfs/dbraw/zinc/78/55/65/575785565.db2.gz ISZYXRJULOMXMZ-ZUEVXXBESA-N 0 3 331.412 2.536 20 10 EFCDHN [O-]c1cc2c(cc1C[NH2+]C[C@@]1(CO)C[C@@H]1c1ccc(F)cc1)OCO2 ZINC000758526214 575871618 /nfs/dbraw/zinc/87/16/18/575871618.db2.gz FMAOFEHXUHLAMM-DNVCBOLYSA-N 0 3 345.370 2.516 20 10 EFCDHN COc1cccc([O-])c1C[NH2+]C[C@]1(CO)C[C@@H]1c1ccc(F)cc1 ZINC000758526579 575871631 /nfs/dbraw/zinc/87/16/31/575871631.db2.gz XTDFINZKQPOLOH-APWZRJJASA-N 0 3 331.387 2.796 20 10 EFCDHN O=[N+]([O-])c1cc(CN[C@@H](CO)CC(F)F)ccc1N1CCCCC1 ZINC000758612685 575874110 /nfs/dbraw/zinc/87/41/10/575874110.db2.gz HCNQTUYOFVRKFN-CYBMUJFWSA-N 0 3 343.374 2.691 20 10 EFCDHN COc1cccc([O-])c1C[NH2+]C[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000758613733 575874157 /nfs/dbraw/zinc/87/41/57/575874157.db2.gz GDHVYTPFLNJYCG-MRXNPFEDSA-N 0 3 340.423 2.539 20 10 EFCDHN CC[C@@H](CN1CCCC1)NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000758802595 575877682 /nfs/dbraw/zinc/87/76/82/575877682.db2.gz NJKWUTMVKGOTJN-SFHVURJKSA-N 0 3 342.487 2.736 20 10 EFCDHN CC1(CCNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)OCCO1 ZINC000759179908 575886406 /nfs/dbraw/zinc/88/64/06/575886406.db2.gz NZGYHVNVZNPGEM-UHFFFAOYSA-N 0 3 349.431 2.828 20 10 EFCDHN C[C@@H](CNC(=O)NCCCSc1nccs1)N1CCCCC1 ZINC000759571422 575902834 /nfs/dbraw/zinc/90/28/34/575902834.db2.gz ZTEGHQOXSOXZPH-ZDUSSCGKSA-N 0 3 342.534 2.799 20 10 EFCDHN CC[C@H](CN1CCCC1)NC(=O)NCCCSc1nccs1 ZINC000759586588 575904974 /nfs/dbraw/zinc/90/49/74/575904974.db2.gz RZIWIPQLZOBGSM-CYBMUJFWSA-N 0 3 342.534 2.799 20 10 EFCDHN COC(=O)[C@H]1CC12CC[NH+](Cc1cc(Cl)cc(OC)c1[O-])CC2 ZINC000761202830 576128703 /nfs/dbraw/zinc/12/87/03/576128703.db2.gz NWWNVBCVKIULNH-CYBMUJFWSA-N 0 3 339.819 2.829 20 10 EFCDHN COc1cc(Cl)cc(C[NH2+][C@H]2CCOC3(CCOCC3)C2)c1[O-] ZINC000761216887 576131082 /nfs/dbraw/zinc/13/10/82/576131082.db2.gz ZJEFWRZBCWLMNV-AWEZNQCLSA-N 0 3 341.835 2.872 20 10 EFCDHN CCN(CC)c1ccc(CN2CC[C@H](NC(=O)NC3CC3)C2)cc1 ZINC000761229692 576133635 /nfs/dbraw/zinc/13/36/35/576133635.db2.gz SDEYXTCWKSCQQJ-KRWDZBQOSA-N 0 3 330.476 2.569 20 10 EFCDHN COc1ccc([O-])c(C[NH2+]C[C@@]2(CO)C[C@@H]2c2ccc(F)cc2)c1 ZINC000763444506 576377622 /nfs/dbraw/zinc/37/76/22/576377622.db2.gz PDAJXUWEVKZEMU-IEBWSBKVSA-N 0 3 331.387 2.796 20 10 EFCDHN CN(C)c1ccc(CNC(=O)NC[C@H]2CCCCN2C2CC2)cc1F ZINC000764842436 576510771 /nfs/dbraw/zinc/51/07/71/576510771.db2.gz UKJNVYNPIINMAA-MRXNPFEDSA-N 0 3 348.466 2.708 20 10 EFCDHN CNC(=O)COc1cccc(CN[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000765241540 577022613 /nfs/dbraw/zinc/02/26/13/577022613.db2.gz XPTBKIZHMYCVAQ-OAHLLOKOSA-N 0 3 341.455 2.728 20 10 EFCDHN O=S1(=O)CCC[C@H]1C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000765267614 577024904 /nfs/dbraw/zinc/02/49/04/577024904.db2.gz QBPOMIHJGSDCEZ-KRWDZBQOSA-N 0 3 331.437 2.726 20 10 EFCDHN C[C@@H](NCCN1C(=O)c2ccccc2C1=O)c1ccc(N(C)C)cc1 ZINC000765398410 577038304 /nfs/dbraw/zinc/03/83/04/577038304.db2.gz ZOQUHEKMNFWZAZ-CQSZACIVSA-N 0 3 337.423 2.699 20 10 EFCDHN CCc1cc(CN[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)n[nH]1 ZINC000766005634 577097600 /nfs/dbraw/zinc/09/76/00/577097600.db2.gz WWRAPMFKTZRZMC-ZDUSSCGKSA-N 0 3 332.423 2.799 20 10 EFCDHN COCOc1ccc(OC)cc1CNCc1cc(OC)ccc1O ZINC000766472229 577155335 /nfs/dbraw/zinc/15/53/35/577155335.db2.gz SSYCTPHNPJELLM-UHFFFAOYSA-N 0 3 333.384 2.682 20 10 EFCDHN COc1cccc(CNCc2ccc(C(=O)NC3CC3)cc2)c1O ZINC000725847804 577248057 /nfs/dbraw/zinc/24/80/57/577248057.db2.gz IHJJJLDOIZUCTA-UHFFFAOYSA-N 0 3 326.396 2.583 20 10 EFCDHN O=C(CNCc1cc2c(cc1O)OCO2)Nc1ccc(Cl)cc1 ZINC000725849333 577249486 /nfs/dbraw/zinc/24/94/86/577249486.db2.gz DZLMWOJNHGJCGR-UHFFFAOYSA-N 0 3 334.759 2.503 20 10 EFCDHN CCN(CC)c1ccc(CN2CCC(C(=O)NCCOC)CC2)cc1 ZINC000768236003 577262200 /nfs/dbraw/zinc/26/22/00/577262200.db2.gz GGNLNPJYXCDRNJ-UHFFFAOYSA-N 0 3 347.503 2.507 20 10 EFCDHN CN(C)c1ccc(CN2CCCN(C[C@@H]3CCCO3)CC2)cc1F ZINC000768252134 577263040 /nfs/dbraw/zinc/26/30/40/577263040.db2.gz XYAUDASKQBQZKG-KRWDZBQOSA-N 0 3 335.467 2.578 20 10 EFCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@H](Cc3ccccc3)C1)[C@H](O)CO2 ZINC000768448993 577274739 /nfs/dbraw/zinc/27/47/39/577274739.db2.gz YZTDWXQAEUELLE-DNVCBOLYSA-N 0 3 325.408 2.883 20 10 EFCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@H](Cc3ccccc3)C1)[C@H](O)CO2 ZINC000768448993 577274740 /nfs/dbraw/zinc/27/47/40/577274740.db2.gz YZTDWXQAEUELLE-DNVCBOLYSA-N 0 3 325.408 2.883 20 10 EFCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@H](c3cccc(F)c3)C1)[C@@H](O)CO2 ZINC000768452703 577275046 /nfs/dbraw/zinc/27/50/46/577275046.db2.gz QVDBSFMPELSEEE-ACJLOTCBSA-N 0 3 329.371 2.947 20 10 EFCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@@H](c3cccc(F)c3)C1)[C@@H](O)CO2 ZINC000768452703 577275048 /nfs/dbraw/zinc/27/50/48/577275048.db2.gz QVDBSFMPELSEEE-ACJLOTCBSA-N 0 3 329.371 2.947 20 10 EFCDHN CN(C)c1cccc(C[N@H+](C)Cc2cc3c(cc2[O-])OC[C@@H]3O)c1 ZINC000768462480 577275599 /nfs/dbraw/zinc/27/55/99/577275599.db2.gz LVLLZRUDNIWXGN-SFHVURJKSA-N 0 3 328.412 2.516 20 10 EFCDHN CN(C)c1cccc(C[N@@H+](C)Cc2cc3c(cc2[O-])OC[C@@H]3O)c1 ZINC000768462480 577275601 /nfs/dbraw/zinc/27/56/01/577275601.db2.gz LVLLZRUDNIWXGN-SFHVURJKSA-N 0 3 328.412 2.516 20 10 EFCDHN Cc1cc(N(C)C)ccc1CNC(=O)N1CCCC12CCN(C)CC2 ZINC000768948518 577319524 /nfs/dbraw/zinc/31/95/24/577319524.db2.gz KYZUMRYWRVSQMO-UHFFFAOYSA-N 0 3 344.503 2.831 20 10 EFCDHN CCOc1ccc(C[N@H+](C)C[C@H](O)COCc2ccccc2)c([O-])c1 ZINC000769099284 577334222 /nfs/dbraw/zinc/33/42/22/577334222.db2.gz CIHOYMRMMFGPNE-SFHVURJKSA-N 0 3 345.439 2.800 20 10 EFCDHN CCOc1ccc(C[N@@H+](C)C[C@H](O)COCc2ccccc2)c([O-])c1 ZINC000769099284 577334224 /nfs/dbraw/zinc/33/42/24/577334224.db2.gz CIHOYMRMMFGPNE-SFHVURJKSA-N 0 3 345.439 2.800 20 10 EFCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000769194516 577343582 /nfs/dbraw/zinc/34/35/82/577343582.db2.gz HEAGGMBMRWVOFR-CYBMUJFWSA-N 0 3 336.432 2.747 20 10 EFCDHN COc1cccc([O-])c1C[N@H+]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000769194516 577343584 /nfs/dbraw/zinc/34/35/84/577343584.db2.gz HEAGGMBMRWVOFR-CYBMUJFWSA-N 0 3 336.432 2.747 20 10 EFCDHN CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2c([O-])cccc2OC)C1 ZINC000769209846 577344778 /nfs/dbraw/zinc/34/47/78/577344778.db2.gz NOPCZUCWEWWHOY-CABCVRRESA-N 0 3 334.460 2.918 20 10 EFCDHN CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2c([O-])cccc2OC)C1 ZINC000769209846 577344779 /nfs/dbraw/zinc/34/47/79/577344779.db2.gz NOPCZUCWEWWHOY-CABCVRRESA-N 0 3 334.460 2.918 20 10 EFCDHN Fc1cc(CN2CCC[C@H](n3ccnc3)C2)ccc1N1CCOCC1 ZINC000769313606 577351184 /nfs/dbraw/zinc/35/11/84/577351184.db2.gz UZWTUOYULAUKNO-KRWDZBQOSA-N 0 3 344.434 2.696 20 10 EFCDHN CCN(CC)c1ccc(CN2CCN([C@@H]3CCC[C@H]3O)CC2)cc1F ZINC000769330425 577352646 /nfs/dbraw/zinc/35/26/46/577352646.db2.gz WMBUKJAHOWQIBN-WOJBJXKFSA-N 0 3 349.494 2.703 20 10 EFCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC000769388533 577357912 /nfs/dbraw/zinc/35/79/12/577357912.db2.gz SORMZBHMTOXISD-CQSZACIVSA-N 0 3 334.460 2.775 20 10 EFCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC000769388533 577357915 /nfs/dbraw/zinc/35/79/15/577357915.db2.gz SORMZBHMTOXISD-CQSZACIVSA-N 0 3 334.460 2.775 20 10 EFCDHN OCCCCN1CCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000769397640 577358829 /nfs/dbraw/zinc/35/88/29/577358829.db2.gz QAFXSKWUCVNVKJ-UHFFFAOYSA-N 0 3 331.504 2.567 20 10 EFCDHN CCN1C[C@H](C)N(Cc2ccc(N3CCOCC3)c(F)c2)C[C@H]1C ZINC000769467818 577364804 /nfs/dbraw/zinc/36/48/04/577364804.db2.gz ZKYKMBSOYZPHSJ-CVEARBPZSA-N 0 3 335.467 2.577 20 10 EFCDHN C[C@H]1CN(c2ccc(CNCC3=CCCOC3)cc2F)C[C@H](C)O1 ZINC000769926129 577393950 /nfs/dbraw/zinc/39/39/50/577393950.db2.gz IIELVSZAWVGTQA-GJZGRUSLSA-N 0 3 334.435 2.876 20 10 EFCDHN C[C@@H]1CN(c2ccc(CNCC3=CCCOC3)cc2F)C[C@@H](C)O1 ZINC000769926131 577393966 /nfs/dbraw/zinc/39/39/66/577393966.db2.gz IIELVSZAWVGTQA-HUUCEWRRSA-N 0 3 334.435 2.876 20 10 EFCDHN C[C@H]([NH2+]Cc1cc(-c2ccccc2)ccc1[O-])[C@H]1CN(C)CCO1 ZINC000769933867 577394074 /nfs/dbraw/zinc/39/40/74/577394074.db2.gz JRLSFZUHDXXVNI-MGPUTAFESA-N 0 3 326.440 2.868 20 10 EFCDHN COc1cccc(O)c1CN1CCN(C(C)=O)C2(CCCCC2)C1 ZINC000770290615 577410323 /nfs/dbraw/zinc/41/03/23/577410323.db2.gz FCBZUPJJSWRRIB-UHFFFAOYSA-N 0 3 332.444 2.768 20 10 EFCDHN CCN(CC)c1ccc(CN[C@]2(CC(=O)OC)CCCOC2)cc1 ZINC000770680650 581124917 /nfs/dbraw/zinc/12/49/17/581124917.db2.gz VFIGOGPVIZCAAD-IBGZPJMESA-N 0 3 334.460 2.735 20 10 EFCDHN CC[C@H]1CC[C@H](C)N1CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000772346512 581311043 /nfs/dbraw/zinc/31/10/43/581311043.db2.gz OEEYYGGFTQQZBD-IRXDYDNUSA-N 0 3 345.487 2.607 20 10 EFCDHN C[C@@H](NCc1ccc2c(c1)CCS2(=O)=O)c1ccc(N(C)C)cc1 ZINC000773040047 581390054 /nfs/dbraw/zinc/39/00/54/581390054.db2.gz INYYHDGZJUXEMS-CQSZACIVSA-N 0 3 344.480 2.933 20 10 EFCDHN C[C@@H](NC(=O)NC1CCN(C2CC2)CC1)c1ccc(N(C)C)cc1 ZINC000773136545 581400094 /nfs/dbraw/zinc/40/00/94/581400094.db2.gz IYHLHMVGBDUYKF-CQSZACIVSA-N 0 3 330.476 2.740 20 10 EFCDHN C[C@H](NC(=O)N[C@H]1CCN(CC2CC2)C1)c1ccc(N(C)C)cc1 ZINC000773314610 581417473 /nfs/dbraw/zinc/41/74/73/581417473.db2.gz KMAYBVYSBGUDQC-YOEHRIQHSA-N 0 3 330.476 2.597 20 10 EFCDHN C[C@H](NC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1)c1ccc(N(C)C)cc1 ZINC000773371707 581424010 /nfs/dbraw/zinc/42/40/10/581424010.db2.gz ULTWRLWRZUALTB-OFQRWUPVSA-N 0 3 330.476 2.738 20 10 EFCDHN C[C@H](NC(=O)N(C)CC1CCN(C)CC1)c1ccc(N(C)C)cc1 ZINC000773610280 581450294 /nfs/dbraw/zinc/45/02/94/581450294.db2.gz HKBLJPRXCYOPTL-HNNXBMFYSA-N 0 3 332.492 2.797 20 10 EFCDHN CCO[C@@H]1C[C@H](O)C12CCN(Cc1ccc(N(C)CC)cc1)CC2 ZINC000773752656 581461452 /nfs/dbraw/zinc/46/14/52/581461452.db2.gz IRKPUJJVYWQEED-RBUKOAKNSA-N 0 3 332.488 2.895 20 10 EFCDHN C[C@@H]([NH2+]CCOCCN(C)C)c1cc(Br)cc(F)c1[O-] ZINC000774381330 581490550 /nfs/dbraw/zinc/49/05/50/581490550.db2.gz LYDOYWIJRJTNFZ-SNVBAGLBSA-N 0 3 349.244 2.523 20 10 EFCDHN C[C@@H](N[C@H](Cc1ccc(F)cc1)C(N)=O)c1ccc(N(C)C)cc1 ZINC000774483791 581492588 /nfs/dbraw/zinc/49/25/88/581492588.db2.gz LZNZSFMPELZSDY-FZKQIMNGSA-N 0 3 329.419 2.639 20 10 EFCDHN c1nc2n(c1CNCc1ccc(N3CCSCC3)cc1)CCC2 ZINC000850034527 1250235140 /nfs/dbraw/zinc/23/51/40/1250235140.db2.gz MMHDSOXIXQZOAA-UHFFFAOYSA-N 0 3 328.485 2.672 20 10 EFCDHN COc1cc(CN[C@@H]2C[C@@H]3CCCCN3C2=O)c(O)c(C(C)(C)C)c1 ZINC000850319758 1250426169 /nfs/dbraw/zinc/42/61/69/1250426169.db2.gz FSQKPDGNLQCGJQ-WMLDXEAASA-N 0 3 346.471 2.941 20 10 EFCDHN COc1ccc(N2C[C@@H]([NH2+][C@@H](C)c3cc(F)ccc3[O-])CC2=O)cc1 ZINC000850516096 1250520294 /nfs/dbraw/zinc/52/02/94/1250520294.db2.gz SLIDONFHKCOEDL-JSGCOSHPSA-N 0 3 344.386 2.996 20 10 EFCDHN CCn1cc([C@@H](C)NCc2ccc(N3CCC(O)CC3)cc2)cn1 ZINC000850565854 1250539290 /nfs/dbraw/zinc/53/92/90/1250539290.db2.gz IIVHGEGKHUSPEZ-OAHLLOKOSA-N 0 3 328.460 2.715 20 10 EFCDHN Cc1ncc([C@@H](C)NCc2ccc(N3CCC(O)CC3)cc2)c(C)n1 ZINC000850565731 1250539797 /nfs/dbraw/zinc/53/97/97/1250539797.db2.gz HSXYXHHLSGGUOI-CQSZACIVSA-N 0 3 340.471 2.905 20 10 EFCDHN Cc1ncncc1[C@@H](C)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000850569167 1250541224 /nfs/dbraw/zinc/54/12/24/1250541224.db2.gz WEVDBXBBWLAYFC-CQSZACIVSA-N 0 3 326.444 2.597 20 10 EFCDHN c1ncn(Cc2ccccc2CNCc2ccc3c(c2)CCCO3)n1 ZINC000921519320 1256891871 /nfs/dbraw/zinc/89/18/71/1256891871.db2.gz CZGJLSLBJUOROS-UHFFFAOYSA-N 0 3 334.423 2.941 20 10 EFCDHN CS(=O)(=O)Nc1ccc(CNCc2ccc3c(c2)CCCO3)cc1 ZINC000921539036 1257080406 /nfs/dbraw/zinc/08/04/06/1257080406.db2.gz FCASMNUXOHNYOQ-UHFFFAOYSA-N 0 3 346.452 2.673 20 10 EFCDHN CCOCCN1CCC2(CC[NH+](Cc3ccc(C)cc3[O-])CC2)C1=O ZINC001272764627 1257676023 /nfs/dbraw/zinc/67/60/23/1257676023.db2.gz BSOAJZNQLLGBLX-UHFFFAOYSA-N 0 3 346.471 2.552 20 10 EFCDHN CC(C)CN1CC[C@]2(CCCN2Cc2ccc(N(C)C)cc2)C1=O ZINC001272916760 1261327690 /nfs/dbraw/zinc/32/76/90/1261327690.db2.gz LDYCXLCAUYEQTA-HXUWFJFHSA-N 0 3 329.488 2.976 20 10 EFCDHN COc1cc(Br)cc(C[NH2+][C@@H](C)CC(C)(C)O)c1[O-] ZINC000824696779 1278230459 /nfs/dbraw/zinc/23/04/59/1278230459.db2.gz SNVPXNHNFCCVEW-VIFPVBQESA-N 0 3 332.238 2.802 20 10 EFCDHN OC1CCN(c2ccc(CNCc3cccc4c3OCC4)cc2)CC1 ZINC000922263079 1265147508 /nfs/dbraw/zinc/14/75/08/1265147508.db2.gz PDYHWTGXOVHTGV-UHFFFAOYSA-N 0 3 338.451 2.872 20 10 EFCDHN Cc1ccc(O)c(CNCc2cccc(S(=O)(=O)NC(C)C)c2)c1 ZINC000733325850 1265169415 /nfs/dbraw/zinc/16/94/15/1265169415.db2.gz ZNBZXRGREDQKIK-UHFFFAOYSA-N 0 3 348.468 2.677 20 10 EFCDHN Cc1cc(O)c(CNCc2cccc(S(=O)(=O)N(C)C)c2)cc1C ZINC000824738374 1278251321 /nfs/dbraw/zinc/25/13/21/1278251321.db2.gz MNOLPWJWRAZHJI-UHFFFAOYSA-N 0 3 348.468 2.549 20 10 EFCDHN Fc1cc(CN2CCSC[C@H]2C2CC2)ccc1N1CCOCC1 ZINC000824914805 1278341188 /nfs/dbraw/zinc/34/11/88/1278341188.db2.gz ZPVOPDONEOJTSM-SFHVURJKSA-N 0 3 336.476 2.990 20 10 EFCDHN CCOc1ccc(O)c(CN[C@@H](C)C(=O)NCCc2ccccc2)c1 ZINC000825035867 1278390775 /nfs/dbraw/zinc/39/07/75/1278390775.db2.gz UBNQGRATCBSBHM-HNNXBMFYSA-N 0 3 342.439 2.628 20 10 EFCDHN CCOc1ccc(C[NH2+][C@@H](C)C(=O)NCCc2ccccc2)c([O-])c1 ZINC000825035450 1278391607 /nfs/dbraw/zinc/39/16/07/1278391607.db2.gz LFURDQIBONOBPT-HNNXBMFYSA-N 0 3 342.439 2.628 20 10 EFCDHN C[C@H]([NH2+]Cc1cc(F)ccc1[O-])C(=O)N1c2ccccc2C[C@H]1C ZINC000825113039 1278414396 /nfs/dbraw/zinc/41/43/96/1278414396.db2.gz YUDQSECCHVLCMM-OLZOCXBDSA-N 0 3 328.387 2.987 20 10 EFCDHN COc1ccc(O)c(CN[C@H](C)C(=O)N2c3ccccc3C[C@H]2C)c1 ZINC000825111687 1278414755 /nfs/dbraw/zinc/41/47/55/1278414755.db2.gz ONHSPZINQKGKMB-ZIAGYGMSSA-N 0 3 340.423 2.857 20 10 EFCDHN COc1ccc(N2CCCN(C(=O)CN3[C@H](C)CC[C@H]3C)CC2)cc1 ZINC000741140686 1269347814 /nfs/dbraw/zinc/34/78/14/1269347814.db2.gz VENMQDUGYFLYRN-IAGOWNOFSA-N 0 3 345.487 2.607 20 10 EFCDHN CN(C[C@H]1CCN1CCC1CC1)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001085994213 1269449094 /nfs/dbraw/zinc/44/90/94/1269449094.db2.gz GARTXVCMFMNCEH-MRXNPFEDSA-N 0 3 343.431 2.795 20 10 EFCDHN C[C@@H](F)CCN1CC[C@H]1CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001085994778 1269450919 /nfs/dbraw/zinc/45/09/19/1269450919.db2.gz UQKOQPHHVOLUMU-DOMZBBRYSA-N 0 3 349.410 2.743 20 10 EFCDHN CN(C)c1ccc(CN[C@@H]2CC(=O)N([C@@H]3C[C@@H]3c3ccccc3)C2)cc1 ZINC000742391836 1270020320 /nfs/dbraw/zinc/02/03/20/1270020320.db2.gz MNLVZLCSHQKIRY-HMXCVIKNSA-N 0 3 349.478 2.999 20 10 EFCDHN C[C@H](NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccncc1 ZINC000743472073 1270597941 /nfs/dbraw/zinc/59/79/41/1270597941.db2.gz JVYLVAABKRGXAC-YJBOKZPZSA-N 0 3 338.455 2.634 20 10 EFCDHN CCCN(C)CC(=O)N(CC)Cc1cc(Br)ccc1O ZINC000743809399 1270764126 /nfs/dbraw/zinc/76/41/26/1270764126.db2.gz SOEIFUAKBGEJLJ-UHFFFAOYSA-N 0 3 343.265 2.845 20 10 EFCDHN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000745821876 1271646011 /nfs/dbraw/zinc/64/60/11/1271646011.db2.gz BXZXVVQGQHEJMJ-KRWDZBQOSA-N 0 3 344.503 2.909 20 10 EFCDHN CCOC(=O)[C@H]1CC[C@H]([NH2+]Cc2cc3ccccc3cc2[O-])CO1 ZINC001169350983 1272838978 /nfs/dbraw/zinc/83/89/78/1272838978.db2.gz WQALDHXFMYYJPR-FUHWJXTLSA-N 0 3 329.396 2.746 20 10 EFCDHN CCOc1ccc(N2CCN([C@@H](C)CC(=O)N(CC)CC)CC2)cc1 ZINC001169487580 1272978761 /nfs/dbraw/zinc/97/87/61/1272978761.db2.gz UAFGRADKUWQHAN-KRWDZBQOSA-N 0 3 347.503 2.854 20 10 EFCDHN CN(Cc1c([O-])cccc1Br)C[C@H]1CCC[N@H+](C)C1 ZINC000707129996 1275337185 /nfs/dbraw/zinc/33/71/85/1275337185.db2.gz XAXXROJDGQIVRL-LBPRGKRZSA-N 0 3 327.266 2.928 20 10 EFCDHN CN(Cc1c([O-])cccc1Br)C[C@H]1CCC[N@@H+](C)C1 ZINC000707129996 1275337191 /nfs/dbraw/zinc/33/71/91/1275337191.db2.gz XAXXROJDGQIVRL-LBPRGKRZSA-N 0 3 327.266 2.928 20 10 EFCDHN Cc1cc(O)c(CNCc2ccc(S(C)(=O)=O)s2)cc1C ZINC000786828463 1275535385 /nfs/dbraw/zinc/53/53/85/1275535385.db2.gz RXCIIRFJJQOOHR-UHFFFAOYSA-N 0 3 325.455 2.764 20 10 EFCDHN COc1ccc(C[C@@H](C)[NH2+]Cc2cccc(O)c2[O-])c([N+](=O)[O-])c1 ZINC001170315440 1279009943 /nfs/dbraw/zinc/00/99/43/1279009943.db2.gz XRVSPNBESWFZHD-LLVKDONJSA-N 0 3 332.356 2.735 20 10 EFCDHN COc1cc(Br)cc(C[NH2+]CCOC(F)(F)F)c1[O-] ZINC000788966522 1276416394 /nfs/dbraw/zinc/41/63/94/1276416394.db2.gz ORBFCXXBIWZKEH-UHFFFAOYSA-N 0 3 344.127 2.789 20 10 EFCDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+]C[C@H]1CNCCO1 ZINC000817983058 1276421206 /nfs/dbraw/zinc/42/12/06/1276421206.db2.gz JTDQRJCTFJUWBA-IEBWSBKVSA-N 0 3 326.440 2.644 20 10 EFCDHN C[C@@H](CNCc1ccc(N(C)C2CCCCC2)cc1)S(C)(=O)=O ZINC000818980810 1276562299 /nfs/dbraw/zinc/56/22/99/1276562299.db2.gz OHISYJODVHDKQY-HNNXBMFYSA-N 0 3 338.517 2.978 20 10 EFCDHN C[C@]1(CO)CCCN1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000789557960 1276843579 /nfs/dbraw/zinc/84/35/79/1276843579.db2.gz PXOLKIXIFDQIAF-GOSISDBHSA-N 0 3 333.432 2.932 20 10 EFCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCC[C@@H](n4ccnn4)C3)c2c1 ZINC000819896308 1276937828 /nfs/dbraw/zinc/93/78/28/1276937828.db2.gz FWWUXEKWWWEBHG-OAHLLOKOSA-N 0 3 338.411 2.983 20 10 EFCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCC[C@@H](n4ccnn4)C3)c2c1 ZINC000819896308 1276937837 /nfs/dbraw/zinc/93/78/37/1276937837.db2.gz FWWUXEKWWWEBHG-OAHLLOKOSA-N 0 3 338.411 2.983 20 10 EFCDHN COc1ccc(N2CC[C@H](CNCc3cc(F)ncc3F)C2)cc1 ZINC000822494591 1289014225 /nfs/dbraw/zinc/01/42/25/1289014225.db2.gz RSTIDYQBGBEQAV-CYBMUJFWSA-N 0 3 333.382 2.985 20 10 EFCDHN COC(=O)C(C)(C)CC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000792768204 1279164177 /nfs/dbraw/zinc/16/41/77/1279164177.db2.gz XYZLDYYYDZGWEE-MRXNPFEDSA-N 0 3 335.444 2.963 20 10 EFCDHN COC(=O)C(C)(C)CC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000792768204 1279164181 /nfs/dbraw/zinc/16/41/81/1279164181.db2.gz XYZLDYYYDZGWEE-MRXNPFEDSA-N 0 3 335.444 2.963 20 10 EFCDHN CC[C@@H]([NH2+]Cc1cc(Br)cc(OC)c1[O-])C(C)(C)O ZINC000815155806 1287334045 /nfs/dbraw/zinc/33/40/45/1287334045.db2.gz XRFOWILGMCITDL-GFCCVEGCSA-N 0 3 332.238 2.802 20 10 EFCDHN CN(C)c1ccc(CN[C@H]2CC(=O)N(C3CC3)C2)c(C(F)(F)F)c1 ZINC000793047331 1279340674 /nfs/dbraw/zinc/34/06/74/1279340674.db2.gz JVQFLTLCSADFGQ-LBPRGKRZSA-N 0 3 341.377 2.624 20 10 EFCDHN Cc1cc(Br)c([O-])c(C[N@H+](C)CCN2CCCC2)c1 ZINC000809737431 1287348552 /nfs/dbraw/zinc/34/85/52/1287348552.db2.gz HOCVCFOGVCGRGX-UHFFFAOYSA-N 0 3 327.266 2.991 20 10 EFCDHN Cc1cc(Br)c([O-])c(C[N@@H+](C)CCN2CCCC2)c1 ZINC000809737431 1287348558 /nfs/dbraw/zinc/34/85/58/1287348558.db2.gz HOCVCFOGVCGRGX-UHFFFAOYSA-N 0 3 327.266 2.991 20 10 EFCDHN COc1cccc(NC(=O)C[C@H](C)[NH2+]Cc2ccc(OC)cc2[O-])c1 ZINC000793386372 1279613871 /nfs/dbraw/zinc/61/38/71/1279613871.db2.gz NZIMADSRSFDLRI-ZDUSSCGKSA-N 0 3 344.411 2.916 20 10 EFCDHN COc1ccc(C[NH2+]C2CCN(C(=O)OCC(C)C)CC2)c([O-])c1 ZINC000793387446 1279613934 /nfs/dbraw/zinc/61/39/34/1279613934.db2.gz DQPJEYRJXJTRBG-UHFFFAOYSA-N 0 3 336.432 2.747 20 10 EFCDHN CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+]Cc2ccc(OC)cc2[O-])C1 ZINC000793388566 1279615355 /nfs/dbraw/zinc/61/53/55/1279615355.db2.gz PSJFSBFGKOJVLD-OLZOCXBDSA-N 0 3 343.370 2.858 20 10 EFCDHN CN(Cc1ncccc1C(F)(F)F)Cc1c(O)cc(O)cc1O ZINC001144504056 1279748027 /nfs/dbraw/zinc/74/80/27/1279748027.db2.gz KCDAGAUJYMUVNP-UHFFFAOYSA-N 0 3 328.290 2.849 20 10 EFCDHN COc1ccc(O)c([C@H](C)NCc2c(C)nc3sc(C)nn23)c1 ZINC000845971824 1279948305 /nfs/dbraw/zinc/94/83/05/1279948305.db2.gz NEQXORVEBRSYHU-VIFPVBQESA-N 0 3 332.429 2.973 20 10 EFCDHN COc1cccc([C@H](C)NCc2ccc3c(c2)CCS3(=O)=O)c1O ZINC000846153787 1280039621 /nfs/dbraw/zinc/03/96/21/1280039621.db2.gz KSCMLAGJIUVXKZ-LBPRGKRZSA-N 0 3 347.436 2.581 20 10 EFCDHN COc1cccc([C@H](C)NCC(=O)N(C)Cc2ccccc2)c1O ZINC000846140857 1280049983 /nfs/dbraw/zinc/04/99/83/1280049983.db2.gz HBNALUHVJNTOKI-AWEZNQCLSA-N 0 3 328.412 2.710 20 10 EFCDHN COc1ccc(N2CCN(CCN3CCc4ccccc43)CC2)cc1 ZINC000794261377 1280123727 /nfs/dbraw/zinc/12/37/27/1280123727.db2.gz NQMGEEUXJVWNPP-UHFFFAOYSA-N 0 3 337.467 2.880 20 10 EFCDHN COc1cc(Br)cc(C[NH2+]C[C@H](CO)C(C)C)c1[O-] ZINC000808421934 1281710072 /nfs/dbraw/zinc/71/00/72/1281710072.db2.gz UMCOKIYMNQDAKK-LLVKDONJSA-N 0 3 332.238 2.517 20 10 EFCDHN COc1cc([C@@H](C)NCc2ccc(N3CCOCC3)cc2)ccn1 ZINC000808432457 1281727404 /nfs/dbraw/zinc/72/74/04/1281727404.db2.gz NINMVNXJHAKPGZ-OAHLLOKOSA-N 0 3 327.428 2.778 20 10 EFCDHN CCNC(=O)N1CC[C@@H]([NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])C1 ZINC000808706721 1281867152 /nfs/dbraw/zinc/86/71/52/1281867152.db2.gz RWDRXZITOZLNEI-DGCLKSJQSA-N 0 3 325.840 2.808 20 10 EFCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H]2COC3(CCOCC3)O2)c1[O-] ZINC000808713078 1281869929 /nfs/dbraw/zinc/86/99/29/1281869929.db2.gz LBLBJSYDLUNERG-JSGCOSHPSA-N 0 3 341.835 2.927 20 10 EFCDHN CC[C@H]([NH2+]C[C@@H]1CCCC[C@H]1NS(C)(=O)=O)c1ccccc1[O-] ZINC000809701384 1282387359 /nfs/dbraw/zinc/38/73/59/1282387359.db2.gz FGZPCZTXVSMECK-CWRNSKLLSA-N 0 3 340.489 2.541 20 10 EFCDHN CCN(CC)c1ccc(CN(C)[C@H](CO)COC(C)C)cc1F ZINC000809768742 1282431473 /nfs/dbraw/zinc/43/14/73/1282431473.db2.gz VRNGFZYKIDPCCU-MRXNPFEDSA-N 0 3 326.456 2.890 20 10 EFCDHN Cc1cccc(CNCc2ccncc2OC[C@@H]2CCOC2)c1O ZINC000809784770 1282482611 /nfs/dbraw/zinc/48/26/11/1282482611.db2.gz ZTQNSYFYFKSICJ-OAHLLOKOSA-N 0 3 328.412 2.801 20 10 EFCDHN CCN1CC[C@@H](C[NH2+]Cc2cc(Br)cc(F)c2[O-])C1 ZINC000715791962 1284331494 /nfs/dbraw/zinc/33/14/94/1284331494.db2.gz MGSGJWSHYJPSKV-JTQLQIEISA-N 0 3 331.229 2.725 20 10 EFCDHN Cc1ccc2nc(CNCc3ccc(N4CCN(C)CC4)cc3)cn2c1 ZINC000811628045 1284443647 /nfs/dbraw/zinc/44/36/47/1284443647.db2.gz LYHQIKNHJCVIFR-UHFFFAOYSA-N 0 3 349.482 2.684 20 10 EFCDHN CN(C)c1ccc(CN[C@@H]2CC(=O)N(c3ccccc3F)C2)cc1F ZINC000812782675 1285415311 /nfs/dbraw/zinc/41/53/11/1285415311.db2.gz CQPUZUADBJDKJK-CQSZACIVSA-N 0 3 345.393 2.926 20 10 EFCDHN Cc1cc([O-])c(CN2C[C@H]([NH3+])CC(F)(F)C2)cc1Br ZINC001206144997 1285697348 /nfs/dbraw/zinc/69/73/48/1285697348.db2.gz BSVRWYNTSNZJDE-SNVBAGLBSA-N 0 3 335.192 2.631 20 10 EFCDHN O=C1C[C@@H]([N@H+]2CCc3cccc([O-])c3C2)CCN1Cc1ccccc1 ZINC001172682270 1286229150 /nfs/dbraw/zinc/22/91/50/1286229150.db2.gz PFZVXRWHJVVDGJ-SFHVURJKSA-N 0 3 336.435 2.942 20 10 EFCDHN O=C1C[C@@H]([N@@H+]2CCc3cccc([O-])c3C2)CCN1Cc1ccccc1 ZINC001172682270 1286229155 /nfs/dbraw/zinc/22/91/55/1286229155.db2.gz PFZVXRWHJVVDGJ-SFHVURJKSA-N 0 3 336.435 2.942 20 10 EFCDHN Cc1cc(Br)c([O-])c(CN2CC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000814178533 1286360484 /nfs/dbraw/zinc/36/04/84/1286360484.db2.gz UCKIRQLIXAWIGR-MRXNPFEDSA-N 0 3 339.277 2.991 20 10 EFCDHN Cc1cc(Br)c([O-])c(CN2CC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000814178533 1286360491 /nfs/dbraw/zinc/36/04/91/1286360491.db2.gz UCKIRQLIXAWIGR-MRXNPFEDSA-N 0 3 339.277 2.991 20 10 EFCDHN CN1CCN(C(C)(C)C[NH2+]Cc2ccc3ccccc3c2[O-])CC1 ZINC000816534894 1288193935 /nfs/dbraw/zinc/19/39/35/1288193935.db2.gz YJCUNBUPMDSPGI-UHFFFAOYSA-N 0 3 327.472 2.661 20 10 EFCDHN CC(C)CN1CCO[C@@H](C[NH2+]Cc2ccc3ccccc3c2[O-])C1 ZINC000816528501 1288205008 /nfs/dbraw/zinc/20/50/08/1288205008.db2.gz FTZOPOIFQWOBNL-SFHVURJKSA-N 0 3 328.456 2.992 20 10 EFCDHN Cc1nccc(N2CC[NH+](Cc3ccc4ccccc4c3[O-])CC2)n1 ZINC000816569413 1288212297 /nfs/dbraw/zinc/21/22/97/1288212297.db2.gz KWZJJGNTODDLDB-UHFFFAOYSA-N 0 3 334.423 2.966 20 10 EFCDHN CN1CCN(c2ccc(CN3C[C@@]4(CCCO4)[C@H]3C3CC3)cc2)CC1 ZINC000816666293 1288235398 /nfs/dbraw/zinc/23/53/98/1288235398.db2.gz JLXQTSPBEXLLCR-RTWAWAEBSA-N 0 3 341.499 2.582 20 10 EFCDHN CC(C)[C@H]1CN(Cc2ccc(N3CCOCC3)c(F)c2)CCCO1 ZINC000816676208 1288241163 /nfs/dbraw/zinc/24/11/63/1288241163.db2.gz VMJXCCIQKFHCMT-LJQANCHMSA-N 0 3 336.451 2.909 20 10 EFCDHN CON1CCC([NH2+]Cc2cc(Br)cc(C)c2[O-])CC1 ZINC000817418716 1288594000 /nfs/dbraw/zinc/59/40/00/1288594000.db2.gz CYOZXNMMZLKNEG-UHFFFAOYSA-N 0 3 329.238 2.579 20 10 EFCDHN [NH3+]C[C@@]1(F)CCCCN(Cc2c([O-])cccc2Br)C1 ZINC001206352212 1288958767 /nfs/dbraw/zinc/95/87/67/1288958767.db2.gz RFHIFKOZZKWONJ-AWEZNQCLSA-N 0 3 331.229 2.808 20 10 EFCDHN [NH3+]C[C@]1(F)CCCCN(Cc2c([O-])cccc2Br)C1 ZINC001206352213 1288958999 /nfs/dbraw/zinc/95/89/99/1288958999.db2.gz RFHIFKOZZKWONJ-CQSZACIVSA-N 0 3 331.229 2.808 20 10 EFCDHN COC(=O)c1c(CN2CC[C@](C)(O)[C@H](C)C2)c2ccccc2n1C ZINC001232402365 1312694215 /nfs/dbraw/zinc/69/42/15/1312694215.db2.gz MBJAJMDMMNATIY-YJYMSZOUSA-N 0 3 330.428 2.558 20 10 EFCDHN COC(=O)c1c(CN2CC[C@H]3O[C@@H](C)C[C@H]3C2)c2ccccc2n1C ZINC001232400898 1312694264 /nfs/dbraw/zinc/69/42/64/1312694264.db2.gz LUGUEAQSPDXGBH-SUNYJGFJSA-N 0 3 342.439 2.964 20 10 EFCDHN COc1cc([C@H](C)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)on1 ZINC000903448381 1312694579 /nfs/dbraw/zinc/69/45/79/1312694579.db2.gz OFZLWXPNKWPQOV-BBRMVZONSA-N 0 3 332.448 2.703 20 10 EFCDHN COC(=O)c1c(CN2CCC[C@@](O)(CF)CC2)c2ccccc2n1C ZINC001232403373 1312695118 /nfs/dbraw/zinc/69/51/18/1312695118.db2.gz WUTBZZYTAABBIT-IBGZPJMESA-N 0 3 348.418 2.651 20 10 EFCDHN CCn1ccnc1[C@H](C)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000903449141 1312695613 /nfs/dbraw/zinc/69/56/13/1312695613.db2.gz VPEGTKJWJNRFFD-YJBOKZPZSA-N 0 3 329.492 2.923 20 10 EFCDHN CCn1ccnc1[C@H](C)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000903449139 1312695673 /nfs/dbraw/zinc/69/56/73/1312695673.db2.gz VPEGTKJWJNRFFD-MAUKXSAKSA-N 0 3 329.492 2.923 20 10 EFCDHN COC(=O)c1c(CN2CC[C@@H](OC)C[C@H]2C)c2ccccc2n1C ZINC001232409602 1312696356 /nfs/dbraw/zinc/69/63/56/1312696356.db2.gz FTVMZFSXSQYVCU-ZIAGYGMSSA-N 0 3 330.428 2.964 20 10 EFCDHN COc1ccc(C[NH2+]C[C@@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)c([O-])c1 ZINC000824321147 1289605805 /nfs/dbraw/zinc/60/58/05/1289605805.db2.gz PGBCAVHHQXLOGY-AUUYWEPGSA-N 0 3 348.443 2.747 20 10 EFCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]C[C@@H]1CCCN1CCCO ZINC000824559086 1289698518 /nfs/dbraw/zinc/69/85/18/1289698518.db2.gz FGCIACXWERPYJF-FQEVSTJZSA-N 0 3 340.467 2.996 20 10 EFCDHN CC(C)[N@@H+]1CC[C@@H](C(=O)NCc2cc(Cl)c3cccnc3c2[O-])C1 ZINC001181982775 1290022081 /nfs/dbraw/zinc/02/20/81/1290022081.db2.gz RRQNHBGJBIXSNP-GFCCVEGCSA-N 0 3 347.846 2.940 20 10 EFCDHN CC(C)[N@H+]1CC[C@@H](C(=O)NCc2cc(Cl)c3cccnc3c2[O-])C1 ZINC001181982775 1290022094 /nfs/dbraw/zinc/02/20/94/1290022094.db2.gz RRQNHBGJBIXSNP-GFCCVEGCSA-N 0 3 347.846 2.940 20 10 EFCDHN O=C(CCc1ccc(O)c(O)c1)N1CCN(CC2CCCCC2)CC1 ZINC001182153775 1290096209 /nfs/dbraw/zinc/09/62/09/1290096209.db2.gz JNVPTFNJTDFNOF-UHFFFAOYSA-N 0 3 346.471 2.755 20 10 EFCDHN CN(C)c1ccc(CN2CC[C@@H](OC(=O)OC(C)(C)C)C2)c(O)c1 ZINC001232834849 1312790915 /nfs/dbraw/zinc/79/09/15/1312790915.db2.gz ODQDANDXLZKOFD-OAHLLOKOSA-N 0 3 336.432 2.984 20 10 EFCDHN CN(C)c1ccc(CN2CC[C@H](OC(=O)OC(C)(C)C)C2)c(O)c1 ZINC001232834848 1312791320 /nfs/dbraw/zinc/79/13/20/1312791320.db2.gz ODQDANDXLZKOFD-HNNXBMFYSA-N 0 3 336.432 2.984 20 10 EFCDHN CN(C)c1ccc(CN2CCN(Cc3cccc(F)c3)CC2)c(O)c1 ZINC001232838872 1312792552 /nfs/dbraw/zinc/79/25/52/1312792552.db2.gz JYHRLVMVNQPSSP-UHFFFAOYSA-N 0 3 343.446 2.915 20 10 EFCDHN COc1ccc(C[NH+]2CCC3(CCN(C(C)C)C3=O)CC2)c([O-])c1 ZINC001203635425 1290906928 /nfs/dbraw/zinc/90/69/28/1290906928.db2.gz UDUGFSFEFKKMCO-UHFFFAOYSA-N 0 3 332.444 2.624 20 10 EFCDHN C[C@@H]1CN(Cc2cc(O)c(O)c(O)c2)[C@@H](C)CN1Cc1ccccc1 ZINC001233009967 1312831818 /nfs/dbraw/zinc/83/18/18/1312831818.db2.gz FOWQNRXCTJBOLS-CABCVRRESA-N 0 3 342.439 2.898 20 10 EFCDHN Cc1ccccc1[C@H](CO)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000877078946 1291128123 /nfs/dbraw/zinc/12/81/23/1291128123.db2.gz KMPSTCWEDLVZPP-NRFANRHFSA-N 0 3 340.467 2.779 20 10 EFCDHN Cc1ccccc1[C@@H](CO)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000877078947 1291128192 /nfs/dbraw/zinc/12/81/92/1291128192.db2.gz KMPSTCWEDLVZPP-OAQYLSRUSA-N 0 3 340.467 2.779 20 10 EFCDHN Cc1cccc(O)c1CNCc1ccncc1OC[C@H]1CCOC1 ZINC000877534879 1291265427 /nfs/dbraw/zinc/26/54/27/1291265427.db2.gz POFCFIRURDGUHS-HNNXBMFYSA-N 0 3 328.412 2.801 20 10 EFCDHN Cc1ccc(CNCc2ccncc2OC[C@H]2CCOC2)c(O)c1 ZINC000877534922 1291265555 /nfs/dbraw/zinc/26/55/55/1291265555.db2.gz QRSUHHMVSYWBOL-HNNXBMFYSA-N 0 3 328.412 2.801 20 10 EFCDHN Cc1cccc([O-])c1C[NH2+]CCNC(=O)CCCc1ccccc1 ZINC000877597450 1291286589 /nfs/dbraw/zinc/28/65/89/1291286589.db2.gz MLFJYZSHGRYXKG-UHFFFAOYSA-N 0 3 326.440 2.929 20 10 EFCDHN OC[C@H]1CSCCN1Cc1ccc(OCc2ccccc2)cc1O ZINC000877779882 1291374177 /nfs/dbraw/zinc/37/41/77/1291374177.db2.gz HBBMASZOUPSJRN-KRWDZBQOSA-N 0 3 345.464 2.881 20 10 EFCDHN CCOC(=O)CC[N@H+](C)Cc1cc(Br)cc(C)c1[O-] ZINC001233110263 1312856385 /nfs/dbraw/zinc/85/63/85/1312856385.db2.gz IVWMHYVBYOXSRZ-UHFFFAOYSA-N 0 3 330.222 2.848 20 10 EFCDHN CCOC(=O)CC[N@@H+](C)Cc1cc(Br)cc(C)c1[O-] ZINC001233110263 1312856387 /nfs/dbraw/zinc/85/63/87/1312856387.db2.gz IVWMHYVBYOXSRZ-UHFFFAOYSA-N 0 3 330.222 2.848 20 10 EFCDHN CCN1C[C@@H]2C[C@H]1CN2Cc1cc(Br)cc(C)c1O ZINC001233110712 1312856406 /nfs/dbraw/zinc/85/64/06/1312856406.db2.gz IOEPEDQPOTUPMG-KBPBESRZSA-N 0 3 325.250 2.742 20 10 EFCDHN CC[N@@H+]1CCCN(Cc2cc(Br)c(OC)cc2[O-])CC1 ZINC001233135516 1312863810 /nfs/dbraw/zinc/86/38/10/1312863810.db2.gz SVPJJJJHJAHRNP-UHFFFAOYSA-N 0 3 343.265 2.691 20 10 EFCDHN CC[N@H+]1CCCN(Cc2cc(Br)c(OC)cc2[O-])CC1 ZINC001233135516 1312863813 /nfs/dbraw/zinc/86/38/13/1312863813.db2.gz SVPJJJJHJAHRNP-UHFFFAOYSA-N 0 3 343.265 2.691 20 10 EFCDHN C[C@H](NCC(=O)N1CCCCCC1)c1ccc(N2CCOCC2)cc1 ZINC000775254212 1291727322 /nfs/dbraw/zinc/72/73/22/1291727322.db2.gz IVPXONVCHRJFPT-KRWDZBQOSA-N 0 3 345.487 2.576 20 10 EFCDHN CCCCCCNC(=O)CN[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775260912 1291744490 /nfs/dbraw/zinc/74/44/90/1291744490.db2.gz RHNWIZRHLIILOW-QGZVFWFLSA-N 0 3 347.503 2.870 20 10 EFCDHN CCOC(=O)c1c(CN2CC[C@@](C)(O)[C@@H](C)C2)c2ccccc2n1C ZINC001233270096 1312888950 /nfs/dbraw/zinc/88/89/50/1312888950.db2.gz ACVOHGLZIAZCOL-VBKZILBWSA-N 0 3 344.455 2.948 20 10 EFCDHN CCOC(=O)c1c(CN2C[C@@H](C)C[C@H]2CO)c2ccccc2n1C ZINC001233270320 1312889874 /nfs/dbraw/zinc/88/98/74/1312889874.db2.gz JFKSPMUTGNQUQJ-KBPBESRZSA-N 0 3 330.428 2.558 20 10 EFCDHN CCOC(=O)c1c(CN2CC[C@@H]3COC[C@@H]3C2)c2ccccc2n1C ZINC001233270772 1312890242 /nfs/dbraw/zinc/89/02/42/1312890242.db2.gz ZWBGCGCYJWXQIC-CABCVRRESA-N 0 3 342.439 2.823 20 10 EFCDHN CCOC(=O)c1c(CN2CCCC[C@H](O)C2)c2ccccc2n1C ZINC001233270556 1312890319 /nfs/dbraw/zinc/89/03/19/1312890319.db2.gz RPAGDAIENCPHCM-AWEZNQCLSA-N 0 3 330.428 2.702 20 10 EFCDHN CC(C)(C)c1ccc(O)c(CN2C[C@H]3CN(CC4CC4)C[C@@H](C2)O3)c1 ZINC001233285852 1312895608 /nfs/dbraw/zinc/89/56/08/1312895608.db2.gz VMYHKEJYZHHSJA-KDURUIRLSA-N 0 3 344.499 2.985 20 10 EFCDHN COCCCCN1CCN(Cc2cc(Cl)cc(OC)c2O)CC1 ZINC001233290931 1312896100 /nfs/dbraw/zinc/89/61/00/1312896100.db2.gz DJDMFUZTVYOROO-UHFFFAOYSA-N 0 3 342.867 2.598 20 10 EFCDHN COC(=O)[C@H]1CCCN(Cc2cc(Cl)cc(OC)c2O)CC1 ZINC001233290904 1312896613 /nfs/dbraw/zinc/89/66/13/1312896613.db2.gz CHZLGLCNDXMXHK-NSHDSACASA-N 0 3 327.808 2.829 20 10 EFCDHN COc1cc(Cl)cc(C[N@H+]2CCc3ccc(=O)[nH]c3CC2)c1[O-] ZINC001233290008 1312896809 /nfs/dbraw/zinc/89/68/09/1312896809.db2.gz COKHCLLNBOWTGF-UHFFFAOYSA-N 0 3 334.803 2.756 20 10 EFCDHN COc1cc(Cl)cc(C[N@@H+]2CCc3ccc(=O)[nH]c3CC2)c1[O-] ZINC001233290008 1312896813 /nfs/dbraw/zinc/89/68/13/1312896813.db2.gz COKHCLLNBOWTGF-UHFFFAOYSA-N 0 3 334.803 2.756 20 10 EFCDHN [O-]c1ccc(F)c(F)c1C[NH+]1C[C@@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC001233333279 1312905670 /nfs/dbraw/zinc/90/56/70/1312905670.db2.gz QJOQKAVPNFTCQK-KBPBESRZSA-N 0 3 345.393 2.629 20 10 EFCDHN [O-]c1ccc(F)c(F)c1CN1C[C@@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001233333279 1312905674 /nfs/dbraw/zinc/90/56/74/1312905674.db2.gz QJOQKAVPNFTCQK-KBPBESRZSA-N 0 3 345.393 2.629 20 10 EFCDHN COc1ccccc1CNC(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000879648723 1292217605 /nfs/dbraw/zinc/21/76/05/1292217605.db2.gz AUUFCQZLDDEGIZ-KGLIPLIRSA-N 0 3 328.412 2.756 20 10 EFCDHN COc1ccccc1[C@@H](C)NC(=O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000879647994 1292217710 /nfs/dbraw/zinc/21/77/10/1292217710.db2.gz VCXPMPLILLQJJI-ZIAGYGMSSA-N 0 3 328.412 2.929 20 10 EFCDHN COc1ccccc1COC[C@@H](O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000879648955 1292217768 /nfs/dbraw/zinc/21/77/68/1292217768.db2.gz HEOKWHQYEBTBPF-ZBFHGGJFSA-N 0 3 331.412 2.629 20 10 EFCDHN Cc1cccc(OCCNC(=O)[C@@H](C)[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000879648927 1292218040 /nfs/dbraw/zinc/21/80/40/1292218040.db2.gz GLDJPNOYZORGIN-HZPDHXFCSA-N 0 3 342.439 2.935 20 10 EFCDHN C[C@@H]([NH2+][C@H](C)c1ccccc1[O-])C(=O)Nc1ccc2c(c1)OCO2 ZINC000879648944 1292218547 /nfs/dbraw/zinc/21/85/47/1292218547.db2.gz HDOMDTPQKGICIL-VXGBXAGGSA-N 0 3 328.368 2.799 20 10 EFCDHN C[C@@H]([NH2+]C[C@@](C)(O)CN(C)C(=O)OC(C)(C)C)c1ccccc1[O-] ZINC000879649159 1292218661 /nfs/dbraw/zinc/21/86/61/1292218661.db2.gz JWDOEGNDDCBANO-FZKQIMNGSA-N 0 3 338.448 2.661 20 10 EFCDHN C[C@@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccccc1[O-] ZINC000879648337 1292218745 /nfs/dbraw/zinc/21/87/45/1292218745.db2.gz KJVRLJUEHSLKRL-GFCCVEGCSA-N 0 3 341.367 2.540 20 10 EFCDHN C[C@@H]([NH2+]C[C@@H](O)COc1cccc2[nH]ccc21)c1ccccc1[O-] ZINC000879648220 1292218905 /nfs/dbraw/zinc/21/89/05/1292218905.db2.gz FISGCTKIWDESEI-ZIAGYGMSSA-N 0 3 326.396 2.964 20 10 EFCDHN Cc1cccc(C)c1OCCNC(=O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000879648577 1292219061 /nfs/dbraw/zinc/21/90/61/1292219061.db2.gz UROSXNMAHGKZAV-MRXNPFEDSA-N 0 3 342.439 2.855 20 10 EFCDHN CC[C@H]([NH2+]CCOc1ccc(S(C)(=O)=O)cc1)c1ccccc1[O-] ZINC000775410919 1292303601 /nfs/dbraw/zinc/30/36/01/1292303601.db2.gz CJXLRNQAXWKCHT-KRWDZBQOSA-N 0 3 349.452 2.915 20 10 EFCDHN COc1ccccc1O[C@H]1CCCN(Cc2cc(O)c(O)cc2O)C1 ZINC001233485142 1312939304 /nfs/dbraw/zinc/93/93/04/1312939304.db2.gz KMMKUGFDZCLTSR-AWEZNQCLSA-N 0 3 345.395 2.855 20 10 EFCDHN COC(=O)CCCN(Cc1ccccc1)Cc1cc(O)c(O)cc1O ZINC001233482755 1312939344 /nfs/dbraw/zinc/93/93/44/1312939344.db2.gz AZESTAGHEVCOJM-UHFFFAOYSA-N 0 3 345.395 2.759 20 10 EFCDHN COC(=O)[C@@H]1CCN(Cc2cc(O)c(O)cc2O)[C@H]1c1ccccc1 ZINC001233484155 1312939495 /nfs/dbraw/zinc/93/94/95/1312939495.db2.gz ZSDFPJKAFCMEBO-KDOFPFPSSA-N 0 3 343.379 2.540 20 10 EFCDHN COC(=O)c1cccc([C@H]2CCCN2Cc2cc(O)c(O)cc2O)c1 ZINC001233487497 1312941764 /nfs/dbraw/zinc/94/17/64/1312941764.db2.gz GBZAMAHJISOERA-OAHLLOKOSA-N 0 3 343.379 2.927 20 10 EFCDHN CC[C@@H](N)c1cn(CC(=O)c2cc(C)n(-c3ccccc3)c2C)nn1 ZINC000880981748 1292709645 /nfs/dbraw/zinc/70/96/45/1292709645.db2.gz CJIRBNCXDCITRT-QGZVFWFLSA-N 0 3 337.427 2.978 20 10 EFCDHN CN1C[C@@H](NCc2ccc3c(c2)CCN3Cc2ccccc2)CC1=O ZINC000796284506 1292756542 /nfs/dbraw/zinc/75/65/42/1292756542.db2.gz RGGMBHUABIHCJS-IBGZPJMESA-N 0 3 335.451 2.570 20 10 EFCDHN [O-]c1ccccc1C[N@@H+]1CC[C@H]2O[C@H](COc3cccnc3)CC[C@H]21 ZINC001203553052 1312955155 /nfs/dbraw/zinc/95/51/55/1312955155.db2.gz ZPCDOQKENSGGAZ-NLWGTHIKSA-N 0 3 340.423 2.988 20 10 EFCDHN [O-]c1ccccc1C[N@H+]1CC[C@H]2O[C@H](COc3cccnc3)CC[C@H]21 ZINC001203553052 1312955157 /nfs/dbraw/zinc/95/51/57/1312955157.db2.gz ZPCDOQKENSGGAZ-NLWGTHIKSA-N 0 3 340.423 2.988 20 10 EFCDHN CC[C@H]([NH2+]C[C@@H](C)N1CCN(C)CC1)c1cc(Cl)ccc1[O-] ZINC000775502208 1292788424 /nfs/dbraw/zinc/78/84/24/1292788424.db2.gz QHRILCPMGPSQSA-CJNGLKHVSA-N 0 3 325.884 2.722 20 10 EFCDHN CCOC(=O)c1nc2c(s1)CC[N@H+](Cc1ccccc1[O-])CC2 ZINC001203550504 1312953326 /nfs/dbraw/zinc/95/33/26/1312953326.db2.gz WNZBNLKTDLQKLX-UHFFFAOYSA-N 0 3 332.425 2.626 20 10 EFCDHN CCOC(=O)c1nc2c(s1)CC[N@@H+](Cc1ccccc1[O-])CC2 ZINC001203550504 1312953329 /nfs/dbraw/zinc/95/33/29/1312953329.db2.gz WNZBNLKTDLQKLX-UHFFFAOYSA-N 0 3 332.425 2.626 20 10 EFCDHN O=C1[C@H]2C[N@H+](Cc3ccccc3[O-])C[C@@H]2CN1Cc1cccc(F)c1 ZINC001203551816 1312953995 /nfs/dbraw/zinc/95/39/95/1312953995.db2.gz PBPWWKJDVRYMIS-AEFFLSMTSA-N 0 3 340.398 2.622 20 10 EFCDHN O=C1[C@H]2C[N@@H+](Cc3ccccc3[O-])C[C@@H]2CN1Cc1cccc(F)c1 ZINC001203551816 1312953998 /nfs/dbraw/zinc/95/39/98/1312953998.db2.gz PBPWWKJDVRYMIS-AEFFLSMTSA-N 0 3 340.398 2.622 20 10 EFCDHN O=C(c1ccsc1)N1C[C@@H]2C[N@H+](Cc3ccccc3[O-])C[C@@H]2C1 ZINC001203552697 1312954007 /nfs/dbraw/zinc/95/40/07/1312954007.db2.gz QSBYSPUYSFNZCH-IYBDPMFKSA-N 0 3 328.437 2.658 20 10 EFCDHN O=C(c1ccsc1)N1C[C@@H]2C[N@@H+](Cc3ccccc3[O-])C[C@@H]2C1 ZINC001203552697 1312954010 /nfs/dbraw/zinc/95/40/10/1312954010.db2.gz QSBYSPUYSFNZCH-IYBDPMFKSA-N 0 3 328.437 2.658 20 10 EFCDHN [O-]c1ccccc1C[N@@H+]1CC[C@@H]2[C@H](CCN2Cc2nccs2)C1 ZINC001203552240 1312954444 /nfs/dbraw/zinc/95/44/44/1312954444.db2.gz GADMBYIATGWHEB-GDBMZVCRSA-N 0 3 329.469 2.945 20 10 EFCDHN [O-]c1ccccc1C[N@H+]1CC[C@@H]2[C@H](CCN2Cc2nccs2)C1 ZINC001203552240 1312954448 /nfs/dbraw/zinc/95/44/48/1312954448.db2.gz GADMBYIATGWHEB-GDBMZVCRSA-N 0 3 329.469 2.945 20 10 EFCDHN O=C(c1ccsc1)N1C[C@H]2C[NH+](Cc3ccccc3[O-])C[C@@H]2C1 ZINC001203552696 1312954675 /nfs/dbraw/zinc/95/46/75/1312954675.db2.gz QSBYSPUYSFNZCH-HZPDHXFCSA-N 0 3 328.437 2.658 20 10 EFCDHN COc1cccc(CN2CC[C@H]3O[C@H](c4nc(C)no4)CC[C@H]32)c1O ZINC001203591581 1312965424 /nfs/dbraw/zinc/96/54/24/1312965424.db2.gz JQIQEFMAXFSURK-FMKPAKJESA-N 0 3 345.399 2.587 20 10 EFCDHN COc1cccc(CN2CCC(Oc3cc(Cl)ncn3)CC2)c1O ZINC001203595525 1312966329 /nfs/dbraw/zinc/96/63/29/1312966329.db2.gz HDXCELGDZAMQEG-UHFFFAOYSA-N 0 3 349.818 2.888 20 10 EFCDHN COc1cccc(CN2CCC[C@H](Oc3nccc(C)n3)C2)c1O ZINC001203601567 1312967666 /nfs/dbraw/zinc/96/76/66/1312967666.db2.gz ANRIETHDWNIMPX-HNNXBMFYSA-N 0 3 329.400 2.543 20 10 EFCDHN CCOc1cccc(CN2CCC(Oc3cc(C)ncn3)CC2)c1O ZINC001203617317 1312972465 /nfs/dbraw/zinc/97/24/65/1312972465.db2.gz NATUXMAOTVVASS-UHFFFAOYSA-N 0 3 343.427 2.933 20 10 EFCDHN COc1ccc(CN2C[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@H]32)c(O)c1 ZINC001203621878 1312972830 /nfs/dbraw/zinc/97/28/30/1312972830.db2.gz JGLLKJZTFMYQCB-GOEBONIOSA-N 0 3 348.443 2.842 20 10 EFCDHN COc1ccc(C[N@@H+]2C[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@H]32)c([O-])c1 ZINC001203621878 1312972836 /nfs/dbraw/zinc/97/28/36/1312972836.db2.gz JGLLKJZTFMYQCB-GOEBONIOSA-N 0 3 348.443 2.842 20 10 EFCDHN COc1ccc(C[N@H+]2C[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@H]32)c([O-])c1 ZINC001203621878 1312972841 /nfs/dbraw/zinc/97/28/41/1312972841.db2.gz JGLLKJZTFMYQCB-GOEBONIOSA-N 0 3 348.443 2.842 20 10 EFCDHN COc1ccc(CN2CCC([C@](C)(O)C(F)(F)F)CC2)c(O)c1 ZINC001203628877 1312975551 /nfs/dbraw/zinc/97/55/51/1312975551.db2.gz JCPLHKSIQRGNEK-HNNXBMFYSA-N 0 3 333.350 2.926 20 10 EFCDHN COc1ccc(C[N@@H+]2CC[C@@]3(C[C@@H](OCC4CC4)CO3)C2)c([O-])c1 ZINC001203629975 1312975752 /nfs/dbraw/zinc/97/57/52/1312975752.db2.gz PMDBLWBOKBUKRZ-IEBWSBKVSA-N 0 3 333.428 2.561 20 10 EFCDHN COc1ccc(C[N@H+]2CC[C@@]3(C[C@@H](OCC4CC4)CO3)C2)c([O-])c1 ZINC001203629975 1312975755 /nfs/dbraw/zinc/97/57/55/1312975755.db2.gz PMDBLWBOKBUKRZ-IEBWSBKVSA-N 0 3 333.428 2.561 20 10 EFCDHN CCC[NH+]1C[C@@H]2CN(Cc3cc(Br)ccc3[O-])C[C@H]2C1 ZINC001203650619 1312981001 /nfs/dbraw/zinc/98/10/01/1312981001.db2.gz YAWTTYCXORBDHO-ZIAGYGMSSA-N 0 3 339.277 2.928 20 10 EFCDHN Oc1ccc(Cl)cc1CN1CCN(CCc2ccncc2)CC1 ZINC001203658484 1312982398 /nfs/dbraw/zinc/98/23/98/1312982398.db2.gz XVFPFWLDYVGQBS-UHFFFAOYSA-N 0 3 331.847 2.801 20 10 EFCDHN CCC(=O)NC1CC[NH+](Cc2cccc(OC(F)(F)F)c2[O-])CC1 ZINC001233754207 1312984519 /nfs/dbraw/zinc/98/45/19/1312984519.db2.gz AFZDJJVWPPKBRD-UHFFFAOYSA-N 0 3 346.349 2.781 20 10 EFCDHN COc1ccc(O)c(CN2CC[C@H](F)[C@](O)(C(F)(F)F)CC2)c1 ZINC001203670285 1312985424 /nfs/dbraw/zinc/98/54/24/1312985424.db2.gz MKZWYKBHISVBTQ-KBPBESRZSA-N 0 3 337.313 2.628 20 10 EFCDHN COc1ccc(O)c(CN2C[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@H]32)c1 ZINC001203671068 1312985594 /nfs/dbraw/zinc/98/55/94/1312985594.db2.gz IPTAEAPAQHYYFI-GOEBONIOSA-N 0 3 348.443 2.842 20 10 EFCDHN COC(=O)[C@H]1C[C@@H](C)C[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])C1 ZINC001233760580 1312986234 /nfs/dbraw/zinc/98/62/34/1312986234.db2.gz HYTVBIDVTKLJQD-PWSUYJOCSA-N 0 3 347.333 2.922 20 10 EFCDHN COC(=O)[C@H]1C[C@@H](C)C[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])C1 ZINC001233760580 1312986236 /nfs/dbraw/zinc/98/62/36/1312986236.db2.gz HYTVBIDVTKLJQD-PWSUYJOCSA-N 0 3 347.333 2.922 20 10 EFCDHN Oc1c(CN2CC(N3CCCCC3)C2)cccc1OC(F)(F)F ZINC001233760585 1312986239 /nfs/dbraw/zinc/98/62/39/1312986239.db2.gz ICVNDNPGLGPWIR-UHFFFAOYSA-N 0 3 330.350 2.961 20 10 EFCDHN COC(=O)[C@@H]1C[C@H](C)C[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])C1 ZINC001233760577 1312986437 /nfs/dbraw/zinc/98/64/37/1312986437.db2.gz HYTVBIDVTKLJQD-CMPLNLGQSA-N 0 3 347.333 2.922 20 10 EFCDHN COC(=O)[C@@H]1C[C@H](C)C[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])C1 ZINC001233760577 1312986440 /nfs/dbraw/zinc/98/64/40/1312986440.db2.gz HYTVBIDVTKLJQD-CMPLNLGQSA-N 0 3 347.333 2.922 20 10 EFCDHN O=C1CC[C@]2(CCC[N@@H+](Cc3cccc(OC(F)(F)F)c3[O-])C2)O1 ZINC001233768525 1312987997 /nfs/dbraw/zinc/98/79/97/1312987997.db2.gz SVRGHAZADAPTEC-HNNXBMFYSA-N 0 3 345.317 2.962 20 10 EFCDHN O=C1CC[C@]2(CCC[N@H+](Cc3cccc(OC(F)(F)F)c3[O-])C2)O1 ZINC001233768525 1312988001 /nfs/dbraw/zinc/98/80/01/1312988001.db2.gz SVRGHAZADAPTEC-HNNXBMFYSA-N 0 3 345.317 2.962 20 10 EFCDHN COc1ccc(O)c(CN2CCC(Oc3nccc(C)n3)CC2)c1 ZINC001203681038 1312989215 /nfs/dbraw/zinc/98/92/15/1312989215.db2.gz MJYJPIVKOLQZBC-UHFFFAOYSA-N 0 3 329.400 2.543 20 10 EFCDHN COc1ccc(O)c(CN2CCC[C@@H](Oc3nccc(C)n3)C2)c1 ZINC001203684312 1312989596 /nfs/dbraw/zinc/98/95/96/1312989596.db2.gz QRFMKQIOTPWWOS-MRXNPFEDSA-N 0 3 329.400 2.543 20 10 EFCDHN [O-]c1c(F)cc(F)cc1C[NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1 ZINC000883049066 1293442544 /nfs/dbraw/zinc/44/25/44/1293442544.db2.gz CIINWIHBVDUHCI-IAGOWNOFSA-N 0 3 340.414 2.528 20 10 EFCDHN CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(Cc3ccc(O)c(O)c3)C[C@@H]12 ZINC001203883642 1313040516 /nfs/dbraw/zinc/04/05/16/1313040516.db2.gz LDXROIWQYJCUAU-RBSFLKMASA-N 0 3 348.443 2.833 20 10 EFCDHN COc1cccnc1O[C@@H]1CCN(Cc2ccc(N(C)C)cc2)C1 ZINC001203935402 1313051060 /nfs/dbraw/zinc/05/10/60/1313051060.db2.gz GTMFGAMSKYUBHT-QGZVFWFLSA-N 0 3 327.428 2.810 20 10 EFCDHN COc1cccnc1O[C@H]1CCN(Cc2ccc(N(C)C)cc2)C1 ZINC001203935398 1313051093 /nfs/dbraw/zinc/05/10/93/1313051093.db2.gz GTMFGAMSKYUBHT-KRWDZBQOSA-N 0 3 327.428 2.810 20 10 EFCDHN COc1cc(O[C@H]2CCN(Cc3ccc(N(C)C)cc3)C2)ccn1 ZINC001203937309 1313051579 /nfs/dbraw/zinc/05/15/79/1313051579.db2.gz UOZPMPITHDBBPY-SFHVURJKSA-N 0 3 327.428 2.810 20 10 EFCDHN CCOC[C@H]1COCCC12CC[NH+](Cc1ccc(O)cc1[O-])CC2 ZINC001204274816 1313113512 /nfs/dbraw/zinc/11/35/12/1313113512.db2.gz UCWMDTOWDZHWPY-INIZCTEOSA-N 0 3 335.444 2.753 20 10 EFCDHN O=C1OC2(CC[NH+](Cc3ccc(O)cc3[O-])CC2)c2ccccc21 ZINC001204274541 1313113566 /nfs/dbraw/zinc/11/35/66/1313113566.db2.gz DNOIJMPDHOVURS-UHFFFAOYSA-N 0 3 325.364 2.760 20 10 EFCDHN CC(C)(C)OC(=O)N1CC[C@H]2[C@H](CN2Cc2ccc(O)cc2O)C1 ZINC001204276084 1313114136 /nfs/dbraw/zinc/11/41/36/1313114136.db2.gz GAOGKCSYYXTRFA-ZFWWWQNUSA-N 0 3 334.416 2.539 20 10 EFCDHN CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(O)cc3[O-])CC[C@H]21 ZINC001204276584 1313114209 /nfs/dbraw/zinc/11/42/09/1313114209.db2.gz NRLUFMQSCCJUGB-XJKSGUPXSA-N 0 3 348.443 2.929 20 10 EFCDHN CC(C)(C)OC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(O)cc3[O-])CC[C@H]21 ZINC001204276584 1313114211 /nfs/dbraw/zinc/11/42/11/1313114211.db2.gz NRLUFMQSCCJUGB-XJKSGUPXSA-N 0 3 348.443 2.929 20 10 EFCDHN C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccc(O)cc1[O-] ZINC001204275862 1313114401 /nfs/dbraw/zinc/11/44/01/1313114401.db2.gz ZZIYWRGJJNFBAL-UHFFFAOYSA-N 0 3 328.412 2.566 20 10 EFCDHN C[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccc(O)cc1[O-] ZINC001204275862 1313114402 /nfs/dbraw/zinc/11/44/02/1313114402.db2.gz ZZIYWRGJJNFBAL-UHFFFAOYSA-N 0 3 328.412 2.566 20 10 EFCDHN CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CN2Cc2ccc(O)cc2O)C1 ZINC001204276083 1313114452 /nfs/dbraw/zinc/11/44/52/1313114452.db2.gz GAOGKCSYYXTRFA-UKRRQHHQSA-N 0 3 334.416 2.539 20 10 EFCDHN COC(=O)[C@H]1C[N@H+](Cc2ccc(O)cc2[O-])C[C@@H]1c1ccc(F)cc1 ZINC001204277773 1313115149 /nfs/dbraw/zinc/11/51/49/1313115149.db2.gz LPVKWLIHZJBFOD-SJORKVTESA-N 0 3 345.370 2.626 20 10 EFCDHN COC(=O)[C@H]1C[N@@H+](Cc2ccc(O)cc2[O-])C[C@@H]1c1ccc(F)cc1 ZINC001204277773 1313115152 /nfs/dbraw/zinc/11/51/52/1313115152.db2.gz LPVKWLIHZJBFOD-SJORKVTESA-N 0 3 345.370 2.626 20 10 EFCDHN C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)CN1Cc1ccc(O)cc1O ZINC001204279251 1313115299 /nfs/dbraw/zinc/11/52/99/1313115299.db2.gz UARJIFAEMSRONZ-OCCSQVGLSA-N 0 3 336.432 2.975 20 10 EFCDHN COc1ccccc1CNC(=O)CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000775833723 1294963309 /nfs/dbraw/zinc/96/33/09/1294963309.db2.gz KYPJTWALPBCFFS-OAHLLOKOSA-N 0 3 341.455 2.728 20 10 EFCDHN CO[C@@H](CN1CCN(Cc2ccc(O)cc2O)CC1)c1ccccc1 ZINC001204279656 1313116133 /nfs/dbraw/zinc/11/61/33/1313116133.db2.gz FHGIGLUBINNPBU-FQEVSTJZSA-N 0 3 342.439 2.603 20 10 EFCDHN CO[C@H](CN1CCN(Cc2ccc(O)cc2O)CC1)c1ccccc1 ZINC001204279930 1313116527 /nfs/dbraw/zinc/11/65/27/1313116527.db2.gz FHGIGLUBINNPBU-HXUWFJFHSA-N 0 3 342.439 2.603 20 10 EFCDHN COc1cc(Br)cc(CN2CCCC[C@@](C)(O)C2)c1O ZINC001204336226 1313124769 /nfs/dbraw/zinc/12/47/69/1313124769.db2.gz HNCYXDOQAVWXQG-OAHLLOKOSA-N 0 3 344.249 2.900 20 10 EFCDHN COc1ncnc2c1CCN(Cc1ccc(N3CCCC3)cc1)CC2 ZINC001204322218 1313122561 /nfs/dbraw/zinc/12/25/61/1313122561.db2.gz JMUAZXWZXOUKFA-UHFFFAOYSA-N 0 3 338.455 2.686 20 10 EFCDHN COCCCCN1CCN(Cc2ccc(N3CCCC3)cc2)CC1 ZINC001204329019 1313123234 /nfs/dbraw/zinc/12/32/34/1313123234.db2.gz BOMARUXRKBGKTO-UHFFFAOYSA-N 0 3 331.504 2.831 20 10 EFCDHN CC(C)NC(=O)N[C@H]1CCCN(Cc2ccc(N3CCCC3)cc2)C1 ZINC001204329182 1313123338 /nfs/dbraw/zinc/12/33/38/1313123338.db2.gz FHRPWNYIJQBMCP-SFHVURJKSA-N 0 3 344.503 2.959 20 10 EFCDHN Fc1cnc(O[C@@H]2CCN(Cc3ccc(N4CCCC4)cc3)C2)nc1 ZINC001204329692 1313123899 /nfs/dbraw/zinc/12/38/99/1313123899.db2.gz WDGMKFLNMBIERX-GOSISDBHSA-N 0 3 342.418 2.869 20 10 EFCDHN COc1cc(Br)cc(CN2CC[C@H](C)[C@@H](O)CC2)c1O ZINC001204336484 1313124888 /nfs/dbraw/zinc/12/48/88/1313124888.db2.gz SIAOTSAJHVZTIO-GWCFXTLKSA-N 0 3 344.249 2.756 20 10 EFCDHN CC(=O)[C@@H](C)N1C[C@@]2(CC1=O)CCCCN2Cc1cccc(C)c1O ZINC001273770470 1295199154 /nfs/dbraw/zinc/19/91/54/1295199154.db2.gz RSUSBBJXUZJHTR-QRWLVFNGSA-N 0 3 344.455 2.635 20 10 EFCDHN CN1C(=O)C[C@@]2(CCC[N@H+](Cc3c([O-])ccc4ccccc43)C2)C1=O ZINC001273770951 1295219728 /nfs/dbraw/zinc/21/97/28/1295219728.db2.gz XWIONEPMBVEADO-HXUWFJFHSA-N 0 3 338.407 2.516 20 10 EFCDHN CN1C(=O)C[C@@]2(CCC[N@@H+](Cc3c([O-])ccc4ccccc43)C2)C1=O ZINC001273770951 1295219734 /nfs/dbraw/zinc/21/97/34/1295219734.db2.gz XWIONEPMBVEADO-HXUWFJFHSA-N 0 3 338.407 2.516 20 10 EFCDHN CCOC(=O)[C@H](Oc1ccc(N2CCN(CC)CC2)cc1)C1CC1 ZINC001234660533 1313179384 /nfs/dbraw/zinc/17/93/84/1313179384.db2.gz IZQBOYLVWJBAJL-GOSISDBHSA-N 0 3 332.444 2.549 20 10 EFCDHN CCN1CCN(c2ccc(O[C@H]3CCC[C@H](C(=O)OC)C3)cc2)CC1 ZINC001234660377 1313179485 /nfs/dbraw/zinc/17/94/85/1313179485.db2.gz HFVZMJVVSDEQML-LPHOPBHVSA-N 0 3 346.471 2.939 20 10 EFCDHN CCN1CCN(c2ccc(OC3CCN(CCF)CC3)cc2)CC1 ZINC001234657740 1313179538 /nfs/dbraw/zinc/17/95/38/1313179538.db2.gz HDIBXEFVMROBCG-UHFFFAOYSA-N 0 3 335.467 2.641 20 10 EFCDHN CC[C@@](C)(CCO)[NH2+]Cc1cc(Br)cc(OC)c1[O-] ZINC000305049868 1295856011 /nfs/dbraw/zinc/85/60/11/1295856011.db2.gz GSFWXHYPQSBKJL-AWEZNQCLSA-N 0 3 332.238 2.804 20 10 EFCDHN COc1cc(C)c(CN2CCN(c3cc(C)ccn3)CC2)c(O)c1 ZINC001204839837 1313202081 /nfs/dbraw/zinc/20/20/81/1313202081.db2.gz IUAUYHZRTXVXTF-UHFFFAOYSA-N 0 3 327.428 2.735 20 10 EFCDHN CC[C@@H](C)N1C(=O)C[C@]2(CCC[N@H+](Cc3c(C)cccc3[O-])C2)C1=O ZINC001274302159 1296056834 /nfs/dbraw/zinc/05/68/34/1296056834.db2.gz WRKAQXXILLQFFX-QRWLVFNGSA-N 0 3 344.455 2.840 20 10 EFCDHN CC[C@@H](C)N1C(=O)C[C@]2(CCC[N@@H+](Cc3c(C)cccc3[O-])C2)C1=O ZINC001274302159 1296056845 /nfs/dbraw/zinc/05/68/45/1296056845.db2.gz WRKAQXXILLQFFX-QRWLVFNGSA-N 0 3 344.455 2.840 20 10 EFCDHN CC(=O)[C@@H](C)N1C[C@]2(CC1=O)CCCCN2Cc1c(C)cccc1O ZINC001274301828 1296056884 /nfs/dbraw/zinc/05/68/84/1296056884.db2.gz SPDWVTCBKOHHIZ-FOIQADDNSA-N 0 3 344.455 2.635 20 10 EFCDHN COc1cc(C)c(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC(C)C)c([O-])c1 ZINC001274660066 1296132568 /nfs/dbraw/zinc/13/25/68/1296132568.db2.gz BGPPFHSWHQQZMR-QZTJIDSGSA-N 0 3 346.471 2.931 20 10 EFCDHN COc1cc(C)c(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC(C)C)c([O-])c1 ZINC001274660066 1296132574 /nfs/dbraw/zinc/13/25/74/1296132574.db2.gz BGPPFHSWHQQZMR-QZTJIDSGSA-N 0 3 346.471 2.931 20 10 EFCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@@]2(CCN(Cc3cn[nH]c3)C2)C1 ZINC001275267476 1296247697 /nfs/dbraw/zinc/24/76/97/1296247697.db2.gz PIGMONUSOJXQGB-LJQANCHMSA-N 0 3 326.444 2.603 20 10 EFCDHN [O-]c1ccccc1C[N@H+]1CCC[C@@]2(CCN(Cc3cn[nH]c3)C2)C1 ZINC001275267476 1296247703 /nfs/dbraw/zinc/24/77/03/1296247703.db2.gz PIGMONUSOJXQGB-LJQANCHMSA-N 0 3 326.444 2.603 20 10 EFCDHN [O-]c1cc(C(F)(F)F)ccc1CN1CCOC[C@]2(CCC[NH2+]C2)C1 ZINC001235023722 1313226889 /nfs/dbraw/zinc/22/68/89/1313226889.db2.gz WGSMFUYCVAUMMX-INIZCTEOSA-N 0 3 344.377 2.613 20 10 EFCDHN Cc1cc(CN2CC[C@@H]3OCCN[C@H]3C2)c(C)n1-c1ccccc1 ZINC001235206944 1313263628 /nfs/dbraw/zinc/26/36/28/1313263628.db2.gz QULKDDGPYTVVCO-PMACEKPBSA-N 0 3 325.456 2.657 20 10 EFCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCC[C@@]34CCN(C)C4=O)c2c1 ZINC001273904150 1297053639 /nfs/dbraw/zinc/05/36/39/1297053639.db2.gz BGBRGUNQIWQECX-FQEVSTJZSA-N 0 3 340.423 2.751 20 10 EFCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCC[C@@]34CCN(C)C4=O)c2c1 ZINC001273904150 1297053647 /nfs/dbraw/zinc/05/36/47/1297053647.db2.gz BGBRGUNQIWQECX-FQEVSTJZSA-N 0 3 340.423 2.751 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)Nc2cccnc2)N(C)C)cc1 ZINC000929757749 1297205265 /nfs/dbraw/zinc/20/52/65/1297205265.db2.gz LAZKCWMLOJOVRL-KRWDZBQOSA-N 0 3 327.432 2.572 20 10 EFCDHN COc1cc([O-])c(CN2C[C@H](C)CC[C@@H]2C[NH3+])cc1Br ZINC001205838093 1313364203 /nfs/dbraw/zinc/36/42/03/1313364203.db2.gz AOYREVXRZAQFJH-ZYHUDNBSSA-N 0 3 343.265 2.723 20 10 EFCDHN Cc1cc([O-])c(CN2CCCC3(C[NH2+]C3)C2)cc1Br ZINC001235712663 1313381785 /nfs/dbraw/zinc/38/17/85/1313381785.db2.gz FRAMJLYCQBLKSN-UHFFFAOYSA-N 0 3 325.250 2.649 20 10 EFCDHN CC(C)C[C@H]1CN(Cc2c([O-])cccc2Br)CC[NH2+]1 ZINC001235881604 1313414222 /nfs/dbraw/zinc/41/42/22/1313414222.db2.gz PEKCJCLUCSFYCX-LBPRGKRZSA-N 0 3 327.266 2.975 20 10 EFCDHN CC[NH+](CC)[C@@H](CNC(=O)c1cccc(O)c1[O-])Cc1ccccc1 ZINC000776329906 1297696426 /nfs/dbraw/zinc/69/64/26/1297696426.db2.gz HLRDYFXXDXNHHR-MRXNPFEDSA-N 0 3 342.439 2.781 20 10 EFCDHN CCN(Cc1c([O-])cc(OC)cc1Br)[C@@H]1CCC[NH2+]C1 ZINC001236010402 1313431197 /nfs/dbraw/zinc/43/11/97/1313431197.db2.gz RDNLSQPETCUDGR-LLVKDONJSA-N 0 3 343.265 2.737 20 10 EFCDHN CCC[C@@H]1C[NH2+]CCN1Cc1cc(Br)c(OC)cc1[O-] ZINC001236133399 1313445257 /nfs/dbraw/zinc/44/52/57/1313445257.db2.gz VPUXMGLLUBVFHC-GFCCVEGCSA-N 0 3 343.265 2.737 20 10 EFCDHN CCC[C@H]1CN(Cc2c([O-])cc(OC)cc2Br)CC[NH2+]1 ZINC001236179883 1313452122 /nfs/dbraw/zinc/45/21/22/1313452122.db2.gz XFHLOAMKKNWFOT-NSHDSACASA-N 0 3 343.265 2.737 20 10 EFCDHN Cc1cc([O-])c(CN(C2CC2)[C@@H]2CC[NH2+]C2)cc1Br ZINC001236533410 1313489460 /nfs/dbraw/zinc/48/94/60/1313489460.db2.gz PJKWJANEJLXFPX-CYBMUJFWSA-N 0 3 325.250 2.789 20 10 EFCDHN COc1cc(CN2CC[C@@H](O)[C@@H](C)CC2)c(O)cc1Br ZINC001236746560 1313521036 /nfs/dbraw/zinc/52/10/36/1313521036.db2.gz DSMJSGRFBSGLAD-GXFFZTMASA-N 0 3 344.249 2.756 20 10 EFCDHN CCOC(=O)C[C@H]1CCCN(Cc2cc(OC)c(OC)cc2O)C1 ZINC001236748926 1313521541 /nfs/dbraw/zinc/52/15/41/1313521541.db2.gz CIVDQLQMAIUMLQ-CYBMUJFWSA-N 0 3 337.416 2.575 20 10 EFCDHN COc1cc(O)c(CN2CCC(Oc3cccnc3)CC2)cc1OC ZINC001236756829 1313522984 /nfs/dbraw/zinc/52/29/84/1313522984.db2.gz TZJJHEXMHHNEBQ-UHFFFAOYSA-N 0 3 344.411 2.848 20 10 EFCDHN COc1cc(CN2CC[C@@H]3OCC[C@@H]3C2)c(O)cc1Br ZINC001236756082 1313523163 /nfs/dbraw/zinc/52/31/63/1313523163.db2.gz IJYCGBVKMGDLMU-YGRLFVJLSA-N 0 3 342.233 2.774 20 10 EFCDHN CCc1ccc(C[N@H+]2C[C@H]3CN(Cc4ccccn4)C[C@H]3C2)c([O-])c1 ZINC001236786460 1313528238 /nfs/dbraw/zinc/52/82/38/1313528238.db2.gz DPHWRAAXBVLHGY-KDURUIRLSA-N 0 3 337.467 2.913 20 10 EFCDHN CCc1ccc(C[N@@H+]2C[C@H]3CN(Cc4ccccn4)C[C@H]3C2)c([O-])c1 ZINC001236786460 1313528241 /nfs/dbraw/zinc/52/82/41/1313528241.db2.gz DPHWRAAXBVLHGY-KDURUIRLSA-N 0 3 337.467 2.913 20 10 EFCDHN CCc1ccc(C[N@H+]2C[C@H]3CN(Cc4nccs4)C[C@H]3C2)c([O-])c1 ZINC001236787177 1313528284 /nfs/dbraw/zinc/52/82/84/1313528284.db2.gz JQXLJALQZNQKAC-CALCHBBNSA-N 0 3 343.496 2.975 20 10 EFCDHN CCc1ccc(C[N@@H+]2C[C@H]3CN(Cc4nccs4)C[C@H]3C2)c([O-])c1 ZINC001236787177 1313528287 /nfs/dbraw/zinc/52/82/87/1313528287.db2.gz JQXLJALQZNQKAC-CALCHBBNSA-N 0 3 343.496 2.975 20 10 EFCDHN CCc1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)OC(C)(C)C)c([O-])c1 ZINC001236788014 1313529309 /nfs/dbraw/zinc/52/93/09/1313529309.db2.gz XRJASTJFZRJKEZ-QLPKVWCKSA-N 0 3 332.444 2.910 20 10 EFCDHN CCc1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)OC(C)(C)C)c([O-])c1 ZINC001236788014 1313529312 /nfs/dbraw/zinc/52/93/12/1313529312.db2.gz XRJASTJFZRJKEZ-QLPKVWCKSA-N 0 3 332.444 2.910 20 10 EFCDHN CCN(CC)C(=O)NC1CC[NH+](Cc2c(C)cc(OC)cc2[O-])CC1 ZINC001236812582 1313534717 /nfs/dbraw/zinc/53/47/17/1313534717.db2.gz BUTGRFDQADVRQG-UHFFFAOYSA-N 0 3 349.475 2.725 20 10 EFCDHN COc1cc(C)c(CN2CC3(C2)CN(c2ccccc2)C3=O)c(O)c1 ZINC001236811622 1313534815 /nfs/dbraw/zinc/53/48/15/1313534815.db2.gz UCOXRXHWRHDOBJ-UHFFFAOYSA-N 0 3 338.407 2.558 20 10 EFCDHN CCOC(=O)C1(F)CCN(Cc2c(C)cc(OC)cc2O)CC1 ZINC001236812886 1313534828 /nfs/dbraw/zinc/53/48/28/1313534828.db2.gz GYTKXOKCLTYAGW-UHFFFAOYSA-N 0 3 325.380 2.576 20 10 EFCDHN COc1cc(C)c(C[NH+]2CCC(C)(C(=O)N3CCCC3)CC2)c([O-])c1 ZINC001236811631 1313535290 /nfs/dbraw/zinc/53/52/90/1313535290.db2.gz UHJHFEQAQOMXSR-UHFFFAOYSA-N 0 3 346.471 2.934 20 10 EFCDHN CCC(=O)N(CC)C1CC[NH+](Cc2c(C)cc(OC)cc2[O-])CC1 ZINC001236816812 1313535511 /nfs/dbraw/zinc/53/55/11/1313535511.db2.gz YASDRORQSPGTIP-UHFFFAOYSA-N 0 3 334.460 2.932 20 10 EFCDHN COc1cc(C)c(C[N@@H+]2CC[C@@]3(C[C@H](OCC4CC4)CO3)C2)c([O-])c1 ZINC001236814528 1313535781 /nfs/dbraw/zinc/53/57/81/1313535781.db2.gz UBJVEUREJZZVEC-FXAWDEMLSA-N 0 3 347.455 2.869 20 10 EFCDHN COc1cc(C)c(C[N@H+]2CC[C@@]3(C[C@H](OCC4CC4)CO3)C2)c([O-])c1 ZINC001236814528 1313535784 /nfs/dbraw/zinc/53/57/84/1313535784.db2.gz UBJVEUREJZZVEC-FXAWDEMLSA-N 0 3 347.455 2.869 20 10 EFCDHN COc1cc(C)c(C[NH+]2CCC(N(C)C(=O)C(C)C)CC2)c([O-])c1 ZINC001236815763 1313535845 /nfs/dbraw/zinc/53/58/45/1313535845.db2.gz OABWWURXYGYQPN-UHFFFAOYSA-N 0 3 334.460 2.788 20 10 EFCDHN COc1ccc(O[C@@H]2CC[N@H+](Cc3c(C)cc(OC)cc3[O-])C2)nc1 ZINC001236815964 1313535948 /nfs/dbraw/zinc/53/59/48/1313535948.db2.gz PMGATTVNLQGEKK-OAHLLOKOSA-N 0 3 344.411 2.766 20 10 EFCDHN COc1ccc(O[C@@H]2CC[N@@H+](Cc3c(C)cc(OC)cc3[O-])C2)nc1 ZINC001236815964 1313535951 /nfs/dbraw/zinc/53/59/51/1313535951.db2.gz PMGATTVNLQGEKK-OAHLLOKOSA-N 0 3 344.411 2.766 20 10 EFCDHN CC1=NC2(CC[NH+](Cc3cc4ccccc4cc3[O-])CC2)C(=O)N1C ZINC001236833158 1313538877 /nfs/dbraw/zinc/53/88/77/1313538877.db2.gz AMSLBGAVIKIIIB-UHFFFAOYSA-N 0 3 337.423 2.770 20 10 EFCDHN Clc1cc(N2CCOCC2)ccc1CN1CC[C@@H]2OCC[C@@H]2C1 ZINC001236918282 1313552780 /nfs/dbraw/zinc/55/27/80/1313552780.db2.gz DRJJDWWMZKNKSQ-QAPCUYQASA-N 0 3 336.863 2.787 20 10 EFCDHN Clc1cc(N2CCOCC2)ccc1CN1CC[C@H]2OCC[C@H]2C1 ZINC001236918004 1313553293 /nfs/dbraw/zinc/55/32/93/1313553293.db2.gz DRJJDWWMZKNKSQ-MAUKXSAKSA-N 0 3 336.863 2.787 20 10 EFCDHN CN(Cc1ccc(N2CCN(C)CC2)cc1F)C[C@H]1CCCCO1 ZINC001236938056 1313557689 /nfs/dbraw/zinc/55/76/89/1313557689.db2.gz IXDHDZFUMUFLOX-GOSISDBHSA-N 0 3 335.467 2.578 20 10 EFCDHN CCCO[C@H]1CCN(Cc2ccc(N3CCN(C)CC3)cc2F)C1 ZINC001236940913 1313557950 /nfs/dbraw/zinc/55/79/50/1313557950.db2.gz WJGYXADPELCZAT-SFHVURJKSA-N 0 3 335.467 2.578 20 10 EFCDHN CCN(CC)c1ccc(CN2CCNC[C@@H]2C(F)(F)F)c(O)c1 ZINC001236975436 1313564519 /nfs/dbraw/zinc/56/45/19/1313564519.db2.gz IEUQFTPJTYAVJF-OAHLLOKOSA-N 0 3 331.382 2.575 20 10 EFCDHN Oc1ccc(C(F)(F)F)cc1CN1CCNC[C@@H]1C(F)(F)F ZINC001236983824 1313566404 /nfs/dbraw/zinc/56/64/04/1313566404.db2.gz WUFHJEKEVYGHCF-LLVKDONJSA-N 0 3 328.256 2.747 20 10 EFCDHN CCOc1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@]3(COC)C2)c([O-])c1 ZINC001237041762 1313573893 /nfs/dbraw/zinc/57/38/93/1313573893.db2.gz UAYAZUWQZDLJQE-RBUKOAKNSA-N 0 3 335.444 2.808 20 10 EFCDHN CCOc1ccc(C[N@H+]2CC[C@@H]3OCCC[C@]3(COC)C2)c([O-])c1 ZINC001237041762 1313573895 /nfs/dbraw/zinc/57/38/95/1313573895.db2.gz UAYAZUWQZDLJQE-RBUKOAKNSA-N 0 3 335.444 2.808 20 10 EFCDHN CCOc1ccc(CN2CC[C@](O)(C(F)(F)F)[C@H](C)C2)c(O)c1 ZINC001237048944 1313576452 /nfs/dbraw/zinc/57/64/52/1313576452.db2.gz BPYLANKZZXFYBF-IAQYHMDHSA-N 0 3 333.350 2.926 20 10 EFCDHN CCOc1ccc(C[N@@H+]2CC[C@](O)(C(F)(F)F)[C@H](C)C2)c([O-])c1 ZINC001237048944 1313576453 /nfs/dbraw/zinc/57/64/53/1313576453.db2.gz BPYLANKZZXFYBF-IAQYHMDHSA-N 0 3 333.350 2.926 20 10 EFCDHN CCOc1ccc(C[N@H+]2CC[C@](O)(C(F)(F)F)[C@H](C)C2)c([O-])c1 ZINC001237048944 1313576455 /nfs/dbraw/zinc/57/64/55/1313576455.db2.gz BPYLANKZZXFYBF-IAQYHMDHSA-N 0 3 333.350 2.926 20 10 EFCDHN C[C@@H]1C[N@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])CC[C@]1(C)O ZINC001237053512 1313576754 /nfs/dbraw/zinc/57/67/54/1313576754.db2.gz NNWRSCOJZFELBI-ABAIWWIYSA-N 0 3 333.350 2.926 20 10 EFCDHN C[C@@H]1C[N@@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])CC[C@]1(C)O ZINC001237053512 1313576757 /nfs/dbraw/zinc/57/67/57/1313576757.db2.gz NNWRSCOJZFELBI-ABAIWWIYSA-N 0 3 333.350 2.926 20 10 EFCDHN C[C@@H]1CC[C@H](CO)C[N@@H+]1Cc1ccc(OCC(F)(F)F)cc1[O-] ZINC001237054025 1313578194 /nfs/dbraw/zinc/57/81/94/1313578194.db2.gz SVMGBJGROJCIAU-NEPJUHHUSA-N 0 3 333.350 2.926 20 10 EFCDHN C[C@@H]1CC[C@H](CO)C[N@H+]1Cc1ccc(OCC(F)(F)F)cc1[O-] ZINC001237054025 1313578197 /nfs/dbraw/zinc/57/81/97/1313578197.db2.gz SVMGBJGROJCIAU-NEPJUHHUSA-N 0 3 333.350 2.926 20 10 EFCDHN [O-]c1cccc(OC(F)(F)F)c1CN1CC[C@H]([NH+]2CCCC2)C1 ZINC001237110752 1313587754 /nfs/dbraw/zinc/58/77/54/1313587754.db2.gz JTMOZACANVDXQK-LBPRGKRZSA-N 0 3 330.350 2.961 20 10 EFCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@H](COc3ccccc3)C1)[C@@H](O)CO2 ZINC000779883837 1299114678 /nfs/dbraw/zinc/11/46/78/1299114678.db2.gz GOAMWZUNGFHLFJ-LIRRHRJNSA-N 0 3 341.407 2.719 20 10 EFCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@H](COc3ccccc3)C1)[C@@H](O)CO2 ZINC000779883837 1299114686 /nfs/dbraw/zinc/11/46/86/1299114686.db2.gz GOAMWZUNGFHLFJ-LIRRHRJNSA-N 0 3 341.407 2.719 20 10 EFCDHN Oc1cccc(OC(F)(F)F)c1CN1CCCC[C@](O)(CF)C1 ZINC001237119341 1313589784 /nfs/dbraw/zinc/58/97/84/1313589784.db2.gz FLFOFYZXTBUDQK-AWEZNQCLSA-N 0 3 337.313 2.977 20 10 EFCDHN [NH3+]C[C@H]1CCC(F)(F)CN1Cc1cc(Br)ccc1[O-] ZINC001237120693 1313590004 /nfs/dbraw/zinc/59/00/04/1313590004.db2.gz KIWOHTUHNQMVSO-LLVKDONJSA-N 0 3 335.192 2.713 20 10 EFCDHN C[N@@H+]1C[C@H]2CCCN(Cc3c([O-])cccc3OC(F)(F)F)[C@@H]2C1 ZINC001237124055 1313591181 /nfs/dbraw/zinc/59/11/81/1313591181.db2.gz XHOBTEMYXNJINE-DGCLKSJQSA-N 0 3 330.350 2.817 20 10 EFCDHN C[N@H+]1C[C@H]2CCCN(Cc3c([O-])cccc3OC(F)(F)F)[C@@H]2C1 ZINC001237124055 1313591185 /nfs/dbraw/zinc/59/11/85/1313591185.db2.gz XHOBTEMYXNJINE-DGCLKSJQSA-N 0 3 330.350 2.817 20 10 EFCDHN O=C1OCCCN1C1CC[NH+](Cc2c([O-])ccc(F)c2Cl)CC1 ZINC001237128607 1313591918 /nfs/dbraw/zinc/59/19/18/1313591918.db2.gz SGUDMUPVMHYSBO-UHFFFAOYSA-N 0 3 342.798 2.991 20 10 EFCDHN C[C@@H]1CCC[C@H](C)N1Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC001237202741 1313604956 /nfs/dbraw/zinc/60/49/56/1313604956.db2.gz KCTWFPVHVZBLPP-IYBDPMFKSA-N 0 3 336.501 2.684 20 10 EFCDHN CC1(C)CCN(Cc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1 ZINC001237205251 1313605347 /nfs/dbraw/zinc/60/53/47/1313605347.db2.gz HKEWXTJJOWMCPJ-UHFFFAOYSA-N 0 3 336.501 2.543 20 10 EFCDHN [O-]c1cccc(Br)c1CN1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237394865 1313636122 /nfs/dbraw/zinc/63/61/22/1313636122.db2.gz WPKLPUMZYRUORA-RISCZKNCSA-N 0 3 325.250 2.729 20 10 EFCDHN Cc1cccc(O)c1CN1CCN(c2cccc3c2OCCO3)CC1 ZINC001237487293 1313654633 /nfs/dbraw/zinc/65/46/33/1313654633.db2.gz HPRRHRYGCGJZGE-UHFFFAOYSA-N 0 3 340.423 2.794 20 10 EFCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@]2(CC(=O)N(c3ccccn3)C2)C1 ZINC001237487547 1313655221 /nfs/dbraw/zinc/65/52/21/1313655221.db2.gz ANVZVLFGSBKUBD-FQEVSTJZSA-N 0 3 337.423 2.725 20 10 EFCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@]2(CC(=O)N(c3ccccn3)C2)C1 ZINC001237487547 1313655223 /nfs/dbraw/zinc/65/52/23/1313655223.db2.gz ANVZVLFGSBKUBD-FQEVSTJZSA-N 0 3 337.423 2.725 20 10 EFCDHN Cc1cccc([O-])c1C[NH+]1CCC2(CCCN2C(=O)N(C)C)CC1 ZINC001237488269 1313655389 /nfs/dbraw/zinc/65/53/89/1313655389.db2.gz KWWFNNGTWZFBBY-UHFFFAOYSA-N 0 3 331.460 2.813 20 10 EFCDHN Cc1cccc([O-])c1C[NH+]1CCC2(CN(c3cccnc3)C2=O)CC1 ZINC001237490376 1313655948 /nfs/dbraw/zinc/65/59/48/1313655948.db2.gz ULFCUVMNGUJFKS-UHFFFAOYSA-N 0 3 337.423 2.725 20 10 EFCDHN Cn1cc(CCC[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)cn1 ZINC000111233047 1300079946 /nfs/dbraw/zinc/07/99/46/1300079946.db2.gz ZZMFFHDUYMPBSN-GOSISDBHSA-N 0 3 329.444 2.740 20 10 EFCDHN Cn1cc(CCC[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)cn1 ZINC000111233047 1300079959 /nfs/dbraw/zinc/07/99/59/1300079959.db2.gz ZZMFFHDUYMPBSN-GOSISDBHSA-N 0 3 329.444 2.740 20 10 EFCDHN CN(c1ccccc1)[C@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000853585832 1300179529 /nfs/dbraw/zinc/17/95/29/1300179529.db2.gz UQFNPPQEJNECFU-QFBILLFUSA-N 0 3 340.423 2.529 20 10 EFCDHN CN(c1ccccc1)[C@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000853585832 1300179534 /nfs/dbraw/zinc/17/95/34/1300179534.db2.gz UQFNPPQEJNECFU-QFBILLFUSA-N 0 3 340.423 2.529 20 10 EFCDHN NC(=O)NC1CC[NH+](Cc2cc(-c3ccc(F)cc3)ccc2[O-])CC1 ZINC001237640442 1313682731 /nfs/dbraw/zinc/68/27/31/1313682731.db2.gz BMUYHCMYHQPXSR-UHFFFAOYSA-N 0 3 343.402 2.831 20 10 EFCDHN COc1cc(CN2CC[C@](O)(C(F)(F)F)[C@H](C)C2)c(O)c(OC)c1 ZINC001237670327 1313688181 /nfs/dbraw/zinc/68/81/81/1313688181.db2.gz SRGQKIQRTYGJBF-MEBBXXQBSA-N 0 3 349.349 2.545 20 10 EFCDHN O=C1NC[C@@H]2CC[N@@H+](Cc3cc(-c4ccc(F)cc4)ccc3[O-])C[C@H]12 ZINC001237646986 1313684441 /nfs/dbraw/zinc/68/44/41/1313684441.db2.gz QMRMEDNOSNZVPI-YJBOKZPZSA-N 0 3 340.398 2.766 20 10 EFCDHN O=C1NC[C@@H]2CC[N@H+](Cc3cc(-c4ccc(F)cc4)ccc3[O-])C[C@H]12 ZINC001237646986 1313684444 /nfs/dbraw/zinc/68/44/44/1313684444.db2.gz QMRMEDNOSNZVPI-YJBOKZPZSA-N 0 3 340.398 2.766 20 10 EFCDHN Cc1cc(O)c(CN2C[C@H]3CC[C@@H](C2)N3C)cc1Br ZINC001237683376 1313690673 /nfs/dbraw/zinc/69/06/73/1313690673.db2.gz YVZVEXRORFGYRO-BETUJISGSA-N 0 3 325.250 2.742 20 10 EFCDHN COc1cc(CN2CC[C@H](Oc3ccc(C)cn3)C2)c(O)c(OC)c1 ZINC001237682588 1313691097 /nfs/dbraw/zinc/69/10/97/1313691097.db2.gz BTIVQSURFPPVFT-HNNXBMFYSA-N 0 3 344.411 2.766 20 10 EFCDHN COC(=O)[C@]1(C)CC[N@H+](Cc2cc(Br)c(C)cc2[O-])C1 ZINC001237686514 1313691388 /nfs/dbraw/zinc/69/13/88/1313691388.db2.gz UTUQSFQXRZUHPC-OAHLLOKOSA-N 0 3 342.233 2.848 20 10 EFCDHN COC(=O)[C@]1(C)CC[N@@H+](Cc2cc(Br)c(C)cc2[O-])C1 ZINC001237686514 1313691390 /nfs/dbraw/zinc/69/13/90/1313691390.db2.gz UTUQSFQXRZUHPC-OAHLLOKOSA-N 0 3 342.233 2.848 20 10 EFCDHN CC[NH+]1C[C@H]2CN(Cc3cc(Br)c(C)cc3[O-])C[C@@H]2C1 ZINC001237684428 1313691554 /nfs/dbraw/zinc/69/15/54/1313691554.db2.gz KMEXQMYIFFSVTP-KBPBESRZSA-N 0 3 339.277 2.847 20 10 EFCDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@@]3(CCN3c3ncccn3)C2)c1[O-] ZINC001237685598 1313691739 /nfs/dbraw/zinc/69/17/39/1313691739.db2.gz NPSJVMCBXSVEIY-GOSISDBHSA-N 0 3 344.846 2.999 20 10 EFCDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@@]3(CCN3c3ncccn3)C2)c1[O-] ZINC001237685598 1313691743 /nfs/dbraw/zinc/69/17/43/1313691743.db2.gz NPSJVMCBXSVEIY-GOSISDBHSA-N 0 3 344.846 2.999 20 10 EFCDHN COc1ccnc(O[C@@H]2CCN(Cc3cc(Cl)cc(C)c3O)C2)n1 ZINC001237690668 1313692898 /nfs/dbraw/zinc/69/28/98/1313692898.db2.gz RDFHQKMXBYVUIK-CQSZACIVSA-N 0 3 349.818 2.806 20 10 EFCDHN Cc1nc(CC[N@@H+](C)Cc2cc(Br)c(C)cc2[O-])no1 ZINC001237675846 1313689333 /nfs/dbraw/zinc/68/93/33/1313689333.db2.gz CAWPHLDPCJBFDP-UHFFFAOYSA-N 0 3 340.221 2.829 20 10 EFCDHN Cc1nc(CC[N@H+](C)Cc2cc(Br)c(C)cc2[O-])no1 ZINC001237675846 1313689337 /nfs/dbraw/zinc/68/93/37/1313689337.db2.gz CAWPHLDPCJBFDP-UHFFFAOYSA-N 0 3 340.221 2.829 20 10 EFCDHN CN(C)c1ccc(/C=C/c2ccc(NS(=O)(=O)CCN)cc2)cc1 ZINC001237799768 1313708605 /nfs/dbraw/zinc/70/86/05/1313708605.db2.gz GYVVHQJNBNUGOR-ONEGZZNKSA-N 0 3 345.468 2.623 20 10 EFCDHN Cc1cc(F)cc(C[N@H+]2C[C@H]3CN(C(=O)c4ccco4)C[C@H]3C2)c1[O-] ZINC001238061688 1313753389 /nfs/dbraw/zinc/75/33/89/1313753389.db2.gz QPSJYSHGFZZIID-GASCZTMLSA-N 0 3 344.386 2.637 20 10 EFCDHN Cc1cc(F)cc(C[N@@H+]2C[C@H]3CN(C(=O)c4ccco4)C[C@H]3C2)c1[O-] ZINC001238061688 1313753392 /nfs/dbraw/zinc/75/33/92/1313753392.db2.gz QPSJYSHGFZZIID-GASCZTMLSA-N 0 3 344.386 2.637 20 10 EFCDHN Cc1ccnc(O[C@@H]2CCCN(Cc3cc(F)cc(C)c3O)C2)n1 ZINC001238068247 1313755003 /nfs/dbraw/zinc/75/50/03/1313755003.db2.gz XNIGKNYMLDGZFJ-MRXNPFEDSA-N 0 3 331.391 2.982 20 10 EFCDHN Cc1cc(F)cc(CN2C[C@@H]3[C@H](NC(=O)OC(C)(C)C)[C@@H]3C2)c1O ZINC001238065693 1313754018 /nfs/dbraw/zinc/75/40/18/1313754018.db2.gz YQPJLJXITZLZIV-QDMKHBRRSA-N 0 3 336.407 2.795 20 10 EFCDHN O=C([C@@H]1CC12CC[NH+](Cc1cc(F)ccc1[O-])CC2)N1CCCCO1 ZINC001278257591 1313846468 /nfs/dbraw/zinc/84/64/68/1313846468.db2.gz ZXUGEPINSZDNPO-INIZCTEOSA-N 0 3 348.418 2.687 20 10 EFCDHN CC(C)N1CCC[C@H](N[C@H](C)c2ccc(N3CCOCC3)cc2)C1=O ZINC000748270925 1313844375 /nfs/dbraw/zinc/84/43/75/1313844375.db2.gz ZYIUZDFLMPBFNQ-APWZRJJASA-N 0 3 345.487 2.573 20 10 EFCDHN CC[C@H](CSC)N(C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000091099904 1303000054 /nfs/dbraw/zinc/00/00/54/1303000054.db2.gz XIEZLBUZTOMUAK-MRXNPFEDSA-N 0 3 337.533 2.784 20 10 EFCDHN CC[C@@H]([NH2+]C1CCN(CCC(=O)N(C)C)CC1)c1ccc(C)cc1[O-] ZINC000794811240 1303141985 /nfs/dbraw/zinc/14/19/85/1303141985.db2.gz WJHPFPLHHWYDRR-GOSISDBHSA-N 0 3 347.503 2.684 20 10 EFCDHN C[C@@H]1CN(c2ccc(CNCc3ccc(=O)[nH]c3)cc2F)C[C@H](C)O1 ZINC000865418364 1303247058 /nfs/dbraw/zinc/24/70/58/1303247058.db2.gz ILIKIENEYUBYIF-OKILXGFUSA-N 0 3 345.418 2.830 20 10 EFCDHN CCC[C@@H](CCO)[NH2+]Cc1cc(Br)cc(OC)c1[O-] ZINC000865662623 1303358397 /nfs/dbraw/zinc/35/83/97/1303358397.db2.gz BZYZMKFRWRTOQL-LBPRGKRZSA-N 0 3 332.238 2.804 20 10 EFCDHN COc1cccc([O-])c1C[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000865791379 1303402263 /nfs/dbraw/zinc/40/22/63/1303402263.db2.gz VWUMFOIRTNTNAC-BETUJISGSA-N 0 3 336.432 2.794 20 10 EFCDHN COc1cc(Br)cc(C[NH2+]C[C@@H]2CCOC[C@H]2C)c1[O-] ZINC000796496608 1304002189 /nfs/dbraw/zinc/00/21/89/1304002189.db2.gz BLKFQRBFFJZEQS-MNOVXSKESA-N 0 3 344.249 2.926 20 10 EFCDHN C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)c1cc([O-])cs1 ZINC000869801335 1304977365 /nfs/dbraw/zinc/97/73/65/1304977365.db2.gz HKSJYCZHYAUFGS-HIFRSBDPSA-N 0 3 330.453 2.952 20 10 EFCDHN C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)c1cc([O-])cs1 ZINC000869801335 1304977367 /nfs/dbraw/zinc/97/73/67/1304977367.db2.gz HKSJYCZHYAUFGS-HIFRSBDPSA-N 0 3 330.453 2.952 20 10 EFCDHN CCc1nnc(NC(=O)[C@@H](C)[C@@H](C)[NH2+]Cc2ccccc2[O-])s1 ZINC000796527788 1305982018 /nfs/dbraw/zinc/98/20/18/1305982018.db2.gz ASTQJRJBSIFJGR-WDEREUQCSA-N 0 3 334.445 2.559 20 10 EFCDHN C[C@@H](NCc1ccc(N2CCN(C)CC2)cc1)c1c(F)cncc1F ZINC000796527671 1305983811 /nfs/dbraw/zinc/98/38/11/1305983811.db2.gz WTXMLPGEWKKKCX-CQSZACIVSA-N 0 3 346.425 2.962 20 10 EFCDHN C[C@@H]1CCN(CCCF)C[C@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000968684665 1306566194 /nfs/dbraw/zinc/56/61/94/1306566194.db2.gz GOVCYUWIAKRJKS-IUODEOHRSA-N 0 3 349.410 2.649 20 10 EFCDHN CN1CCN(Cc2ccc(Nc3ccc4c(c3)OCCN4)cc2)CC1 ZINC001209766279 1314234096 /nfs/dbraw/zinc/23/40/96/1314234096.db2.gz MCIRHXLUBCHEKK-UHFFFAOYSA-N 0 3 338.455 2.982 20 10 EFCDHN CCCC[N@H+](Cc1ccccc1[O-])[C@H](C)C(=O)NC(=O)NCC(C)C ZINC000801595345 1310571695 /nfs/dbraw/zinc/57/16/95/1310571695.db2.gz MCRLZSDXXYGRGM-OAHLLOKOSA-N 0 3 349.475 2.865 20 10 EFCDHN CCCC[N@@H+](Cc1ccccc1[O-])[C@H](C)C(=O)NC(=O)NCC(C)C ZINC000801595345 1310571700 /nfs/dbraw/zinc/57/17/00/1310571700.db2.gz MCRLZSDXXYGRGM-OAHLLOKOSA-N 0 3 349.475 2.865 20 10 EFCDHN Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+]1CCC[C@]2(CCN(C)C2)C1 ZINC001276826842 1311070654 /nfs/dbraw/zinc/07/06/54/1311070654.db2.gz ZGOZMWKQIWYSBM-HXUWFJFHSA-N 0 3 342.439 2.725 20 10 EFCDHN Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1CCC[C@]2(CCN(C)C2)C1 ZINC001276826842 1311070656 /nfs/dbraw/zinc/07/06/56/1311070656.db2.gz ZGOZMWKQIWYSBM-HXUWFJFHSA-N 0 3 342.439 2.725 20 10 EFCDHN Cc1cc(=O)oc2c1ccc([O-])c2CN1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC001276826842 1311070658 /nfs/dbraw/zinc/07/06/58/1311070658.db2.gz ZGOZMWKQIWYSBM-HXUWFJFHSA-N 0 3 342.439 2.725 20 10 EFCDHN Cc1cc(=O)oc2c1ccc([O-])c2CN1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC001276826842 1311070659 /nfs/dbraw/zinc/07/06/59/1311070659.db2.gz ZGOZMWKQIWYSBM-HXUWFJFHSA-N 0 3 342.439 2.725 20 10 EFCDHN [O-]c1cccc(Br)c1CN1CC[C@]2(C1)CCCC[NH2+]2 ZINC001222427564 1311129545 /nfs/dbraw/zinc/12/95/45/1311129545.db2.gz SMMGZJLNDIJOLJ-HNNXBMFYSA-N 0 3 325.250 2.873 20 10 EFCDHN COc1ccc(N2CC[C@H]3[C@@H]2CCN3Cc2cc(C)nn2C)cc1 ZINC001276927312 1311313201 /nfs/dbraw/zinc/31/32/01/1311313201.db2.gz PWXGAEAFUFAALE-OALUTQOASA-N 0 3 326.444 2.590 20 10 EFCDHN Cc1ccc2c(c1Nc1ccncc1CN)C(=O)c1ccccc1C2=O ZINC001159557324 1311541568 /nfs/dbraw/zinc/54/15/68/1311541568.db2.gz ILQXIKZQRHNHAS-UHFFFAOYSA-N 0 3 343.386 2.790 20 10 EFCDHN O=C(NC1CCC(F)CC1)C12CC([NH2+]Cc3ccc(O)cc3[O-])(C1)C2 ZINC001277191633 1311780294 /nfs/dbraw/zinc/78/02/94/1311780294.db2.gz FGLJXKVWZQEOLN-UHFFFAOYSA-N 0 3 348.418 2.507 20 10 EFCDHN O=C(Cc1ccccc1)N1CCC[C@H]([NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000802658417 1311892730 /nfs/dbraw/zinc/89/27/30/1311892730.db2.gz ZKCFOGLFBSYPBZ-SFHVURJKSA-N 0 3 342.414 2.855 20 10 EFCDHN CCN(CC)c1ccc(CN2CCC3(C[C@H]3C(N)=O)CC2)c(OC)c1 ZINC001277295237 1311939076 /nfs/dbraw/zinc/93/90/76/1311939076.db2.gz GHWAYHSDYMIRRR-KRWDZBQOSA-N 0 3 345.487 2.629 20 10 EFCDHN CCN(C(=O)C[C@H]1C[C@@H]2C[N@H+](Cc3ccccc3[O-])C[C@@H]2O1)C(C)C ZINC001277442755 1312179623 /nfs/dbraw/zinc/17/96/23/1312179623.db2.gz YXZHIIDPUAHUAZ-LMMKCTJWSA-N 0 3 346.471 2.629 20 10 EFCDHN CCN(C(=O)C[C@H]1C[C@@H]2C[N@@H+](Cc3ccccc3[O-])C[C@@H]2O1)C(C)C ZINC001277442755 1312179625 /nfs/dbraw/zinc/17/96/25/1312179625.db2.gz YXZHIIDPUAHUAZ-LMMKCTJWSA-N 0 3 346.471 2.629 20 10 EFCDHN CCN(C(=O)[C@@]12C[C@@H]1CCN2Cc1ccc(OC)cc1O)C(C)C ZINC001277457518 1312249015 /nfs/dbraw/zinc/24/90/15/1312249015.db2.gz OVQMGHQBRAUYEJ-HNAYVOBHSA-N 0 3 332.444 2.622 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)OCC(F)(F)F)N(C)C)cc1 ZINC000903046743 1312307711 /nfs/dbraw/zinc/30/77/11/1312307711.db2.gz YQZSZCQMOLQSRP-ZDUSSCGKSA-N 0 3 333.354 2.644 20 10 EFCDHN C[C@@H]([NH2+][C@@H](C)CCNS(=O)(=O)c1ccccc1)c1ccccc1[O-] ZINC000903231557 1312482990 /nfs/dbraw/zinc/48/29/90/1312482990.db2.gz OCVBBFGJBCBRHM-LSDHHAIUSA-N 0 3 348.468 2.800 20 10 EFCDHN CCNS(=O)(=O)c1cccc(C[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000903233512 1312484307 /nfs/dbraw/zinc/48/43/07/1312484307.db2.gz GPZLMOSHMWLWMA-CYBMUJFWSA-N 0 3 334.441 2.541 20 10 EFCDHN CCNS(=O)(=O)c1cccc(CN[C@@H](C)c2cc(C)ccc2O)c1 ZINC000903235860 1312486495 /nfs/dbraw/zinc/48/64/95/1312486495.db2.gz WQPBONUPQGETIS-AWEZNQCLSA-N 0 3 348.468 2.850 20 10 EFCDHN C[NH+]1CCC(C2CC[NH+](Cc3ccc(C(=O)[O-])cc3[O-])CC2)CC1 ZINC001231452944 1312501006 /nfs/dbraw/zinc/50/10/06/1312501006.db2.gz XPDBYYOGQPJJAA-UHFFFAOYSA-N 0 3 332.444 2.644 20 10 EFCDHN Oc1cc(OCc2ccccc2)ccc1CN1CC2(CC(O)C2)C1 ZINC001231466724 1312505978 /nfs/dbraw/zinc/50/59/78/1312505978.db2.gz SYMPJPOSPZODBV-UHFFFAOYSA-N 0 3 325.408 2.928 20 10 EFCDHN C[C@@]1(O)COCC[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC001231468603 1312506152 /nfs/dbraw/zinc/50/61/52/1312506152.db2.gz ZONNXEYGRUQVTJ-FQEVSTJZSA-N 0 3 343.423 2.554 20 10 EFCDHN C[C@@]1(O)COCC[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC001231468603 1312506153 /nfs/dbraw/zinc/50/61/53/1312506153.db2.gz ZONNXEYGRUQVTJ-FQEVSTJZSA-N 0 3 343.423 2.554 20 10 EFCDHN C[C@@]1(O)COCCN(Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC001231468603 1312506157 /nfs/dbraw/zinc/50/61/57/1312506157.db2.gz ZONNXEYGRUQVTJ-FQEVSTJZSA-N 0 3 343.423 2.554 20 10 EFCDHN Cc1cccc(CN2CCn3c(CN(C)C(C)C)cnc3C2)c1O ZINC001231591422 1312528888 /nfs/dbraw/zinc/52/88/88/1312528888.db2.gz CJGMVZMXCZFRAU-UHFFFAOYSA-N 0 3 328.460 2.753 20 10 EFCDHN COc1cc(CN2CC[C@@H](N3CCCCC3)[C@@H](F)C2)c(O)cc1O ZINC001231637517 1312536687 /nfs/dbraw/zinc/53/66/87/1312536687.db2.gz IHIMYHJWPLYWAY-LSDHHAIUSA-N 0 3 338.423 2.505 20 10 EFCDHN COc1cc(CN2CCC[C@@H](Oc3cccnc3)C2)c(O)cc1O ZINC001231635987 1312537153 /nfs/dbraw/zinc/53/71/53/1312537153.db2.gz NJPGMZXJLBABLY-OAHLLOKOSA-N 0 3 330.384 2.545 20 10 EFCDHN CCN(Cc1ccc2c(c1)OCO2)Cc1cc(OC)c(O)cc1O ZINC001231640165 1312537568 /nfs/dbraw/zinc/53/75/68/1312537568.db2.gz PNUWLRRPQUESKY-UHFFFAOYSA-N 0 3 331.368 2.857 20 10 EFCDHN COc1cc(CN2CC[C@@H](C(=O)c3ccccc3)C2)c(O)cc1O ZINC001231639126 1312538005 /nfs/dbraw/zinc/53/80/05/1312538005.db2.gz CUDHWXMBVIASBK-CQSZACIVSA-N 0 3 327.380 2.811 20 10 EFCDHN Cc1ccc(CN2CC3(C2)SCC[C@H]3C(=O)NC(C)(C)C)c(O)c1 ZINC001277568814 1312568234 /nfs/dbraw/zinc/56/82/34/1312568234.db2.gz RGLDIGYKTRCWAY-HNNXBMFYSA-N 0 3 348.512 2.923 20 10 EFCDHN COc1cc(N(C)C)ccc1CN1CCC(N2CC(F)(F)C2)CC1 ZINC001231853124 1312574676 /nfs/dbraw/zinc/57/46/76/1312574676.db2.gz GCJGFMMSVSXSFY-UHFFFAOYSA-N 0 3 339.430 2.677 20 10 EFCDHN COc1cc(N(C)C)ccc1CN1CC[C@@H](Oc2cccnc2)C1 ZINC001231852991 1312575305 /nfs/dbraw/zinc/57/53/05/1312575305.db2.gz CXHSUWZDCFVOQZ-GOSISDBHSA-N 0 3 327.428 2.810 20 10 EFCDHN CC[NH+](CC)C[C@@H]1CN(Cc2cc(Cl)c(C)cc2[O-])CCO1 ZINC001231871213 1312578699 /nfs/dbraw/zinc/57/86/99/1312578699.db2.gz FWZNBSYYPMQFMY-OAHLLOKOSA-N 0 3 326.868 2.897 20 10 EFCDHN Cc1ccnc(N2CC[NH+](Cc3ccc4ccccc4c3[O-])CC2)n1 ZINC001231882186 1312579771 /nfs/dbraw/zinc/57/97/71/1312579771.db2.gz FQCSQRGVGHKFPJ-UHFFFAOYSA-N 0 3 334.423 2.966 20 10 EFCDHN Cc1cnc(N2CC[NH+](Cc3ccc4ccccc4c3[O-])CC2)nc1 ZINC001231884081 1312580316 /nfs/dbraw/zinc/58/03/16/1312580316.db2.gz VVTFGQSWUBBMRP-UHFFFAOYSA-N 0 3 334.423 2.966 20 10 EFCDHN Cc1cc(N2CC[NH+](Cc3ccc4ccccc4c3[O-])CC2)ncn1 ZINC001231883332 1312580659 /nfs/dbraw/zinc/58/06/59/1312580659.db2.gz OQILENSERYRQCV-UHFFFAOYSA-N 0 3 334.423 2.966 20 10 EFCDHN C[C@@H]1CCN(Cc2ccc(N3CCOCC3)c(Cl)c2)C[C@]1(C)O ZINC001232194293 1312646219 /nfs/dbraw/zinc/64/62/19/1312646219.db2.gz HXTMIQHBRLOOMH-KDOFPFPSSA-N 0 3 338.879 2.769 20 10 EFCDHN C[C@@H]1CCCN(Cc2ccc(N3CCOCC3)c(Cl)c2)[C@H]1CO ZINC001232194200 1312646398 /nfs/dbraw/zinc/64/63/98/1312646398.db2.gz DTIDJYILQOTVOT-KDOFPFPSSA-N 0 3 338.879 2.769 20 10 EFCDHN C[C@@H]1CN(Cc2ccc(N3CCOCC3)c(Cl)c2)CC[C@@]1(C)O ZINC001232194571 1312646486 /nfs/dbraw/zinc/64/64/86/1312646486.db2.gz JXPCRFOOITZGRZ-RDTXWAMCSA-N 0 3 338.879 2.769 20 10 EFCDHN Clc1cc(CN2CC[C@@H]3OCC[C@H]3C2)ccc1N1CCOCC1 ZINC001232199333 1312647064 /nfs/dbraw/zinc/64/70/64/1312647064.db2.gz FNASXLUGYPDNIG-YJBOKZPZSA-N 0 3 336.863 2.787 20 10 EFCDHN Clc1cc(CN2CCN(C3CCC3)CC2)ccc1N1CCOCC1 ZINC001232198455 1312647142 /nfs/dbraw/zinc/64/71/42/1312647142.db2.gz SPMGRVPCEFZMLC-UHFFFAOYSA-N 0 3 349.906 2.847 20 10 EFCDHN CC(C)N1CCN(Cc2ccc(N3CCOCC3)c(Cl)c2)CC1 ZINC001232198349 1312647489 /nfs/dbraw/zinc/64/74/89/1312647489.db2.gz RHBQQULSAGALLC-UHFFFAOYSA-N 0 3 337.895 2.703 20 10 EFCDHN Clc1cc(CN2CCN(CC3CC3)CC2)ccc1N1CCOCC1 ZINC001232203573 1312648971 /nfs/dbraw/zinc/64/89/71/1312648971.db2.gz YOHVZTNSQDGRPJ-UHFFFAOYSA-N 0 3 349.906 2.704 20 10 EFCDHN COCC[N@H+](Cc1cc(Cl)c(OC)cc1[O-])C1CCN(C)CC1 ZINC001232264731 1312662351 /nfs/dbraw/zinc/66/23/51/1312662351.db2.gz LRZFMLXESBLJEB-UHFFFAOYSA-N 0 3 342.867 2.597 20 10 EFCDHN COCC[N@@H+](Cc1cc(Cl)c(OC)cc1[O-])C1CCN(C)CC1 ZINC001232264731 1312662354 /nfs/dbraw/zinc/66/23/54/1312662354.db2.gz LRZFMLXESBLJEB-UHFFFAOYSA-N 0 3 342.867 2.597 20 10 EFCDHN CC[C@@H](F)CN[C@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001211344937 1314480389 /nfs/dbraw/zinc/48/03/89/1314480389.db2.gz HCPJTPPBABBHPB-HIFRSBDPSA-N 0 3 349.410 2.791 20 10 EFCDHN c1cc(N2CCOCC2)ccc1C1=CC[C@H](N2CCOCC2)CC1 ZINC001245425584 1314488829 /nfs/dbraw/zinc/48/88/29/1314488829.db2.gz PMDPMQQCWIUOHX-FQEVSTJZSA-N 0 3 328.456 2.791 20 10 EFCDHN C[NH+](C)Cc1ccc(-c2noc(-c3cc(O)c([O-])c(O)c3)n2)cc1 ZINC001215327773 1314816088 /nfs/dbraw/zinc/81/60/88/1314816088.db2.gz SDVQFJSZHYDFLG-UHFFFAOYSA-N 0 3 327.340 2.582 20 10 EFCDHN N#Cc1ccc(CNCc2ccc(N3CCOCC3)cc2)cc1F ZINC000404674853 1315010253 /nfs/dbraw/zinc/01/02/53/1315010253.db2.gz FUVXLNKNAILISI-UHFFFAOYSA-N 0 3 325.387 2.824 20 10 EFCDHN CC1(C)C=Cc2c([O-])c(C[NH+]3CCC4(C[C@@H](O)CO4)CC3)ccc2O1 ZINC001249230574 1315036338 /nfs/dbraw/zinc/03/63/38/1315036338.db2.gz LUCDJUDPVBADNG-OAHLLOKOSA-N 0 3 345.439 2.692 20 10 EFCDHN [NH3+][C@H](Cc1nc(-c2ccc(-n3ccnc3)cc2)no1)c1ccccc1[O-] ZINC001249338790 1315056137 /nfs/dbraw/zinc/05/61/37/1315056137.db2.gz CDZMTEWCIWXSMZ-MRXNPFEDSA-N 0 3 347.378 2.870 20 10 EFCDHN O=C1c2ccccc2C(=O)c2cc(O[C@H]3CCCNC[C@H]3F)ccc21 ZINC001217952252 1315124451 /nfs/dbraw/zinc/12/44/51/1315124451.db2.gz VVUSHTPTUDFNEH-MSOLQXFVSA-N 0 3 339.366 2.931 20 10 EFCDHN O=C1c2cccc([O-])c2C(=O)c2c(O[C@@H]3CCCC[NH2+]C3)cccc21 ZINC001217972528 1315127445 /nfs/dbraw/zinc/12/74/45/1315127445.db2.gz SJOHRYTVNBWBRD-GFCCVEGCSA-N 0 3 337.375 2.689 20 10 EFCDHN Cc1cc(O[C@@H]2C[NH2+][C@H](C)C2)c2c(c1)C(=O)c1cccc([O-])c1C2=O ZINC001218045914 1315138984 /nfs/dbraw/zinc/13/89/84/1315138984.db2.gz HZZYCVLPXURRJO-NEPJUHHUSA-N 0 3 337.375 2.605 20 10 EFCDHN C[C@H]1C[C@H](Oc2cccc3c2C(=O)c2c([O-])cccc2C3=O)CC[NH2+]1 ZINC001218050231 1315139706 /nfs/dbraw/zinc/13/97/06/1315139706.db2.gz PVRLNZMADHQXGB-NWDGAFQWSA-N 0 3 337.375 2.687 20 10 EFCDHN O=C1c2ccccc2C(=O)c2cc(O[C@@H]3CCNC[C@H]3F)ccc21 ZINC001218074460 1315143841 /nfs/dbraw/zinc/14/38/41/1315143841.db2.gz ZYFWFOYZRAQDDL-IAGOWNOFSA-N 0 3 325.339 2.541 20 10 EFCDHN O=C1c2ccccc2C(=O)c2cc(O[C@H]3CCNC[C@H]3F)ccc21 ZINC001218074463 1315144062 /nfs/dbraw/zinc/14/40/62/1315144062.db2.gz ZYFWFOYZRAQDDL-SJORKVTESA-N 0 3 325.339 2.541 20 10 EFCDHN Cc1cc(O[C@@H]2C[C@H]3C[C@@H]2C[NH2+]3)c2c(c1)C(=O)c1cccc([O-])c1C2=O ZINC001218111231 1315150539 /nfs/dbraw/zinc/15/05/39/1315150539.db2.gz PIURDTVYADRCRO-XHBSWPGZSA-N 0 3 349.386 2.605 20 10 EFCDHN Cc1cc(CN2CC[C@@H](O)[C@H](F)CC2)c(O)cc1Br ZINC001250120516 1315174725 /nfs/dbraw/zinc/17/47/25/1315174725.db2.gz GYXFYQZFIHXWRW-CHWSQXEVSA-N 0 3 332.213 2.758 20 10 EFCDHN Cc1cc(CN2CCC[C@H]3C[N@@H+](C)C[C@@H]32)c([O-])cc1Br ZINC001250128839 1315176836 /nfs/dbraw/zinc/17/68/36/1315176836.db2.gz MBHAACIHTSXXIE-WFASDCNBSA-N 0 3 339.277 2.989 20 10 EFCDHN Cc1cc(CN2CCC[C@H]3C[N@H+](C)C[C@@H]32)c([O-])cc1Br ZINC001250128839 1315176840 /nfs/dbraw/zinc/17/68/40/1315176840.db2.gz MBHAACIHTSXXIE-WFASDCNBSA-N 0 3 339.277 2.989 20 10 EFCDHN C[C@H]1CC[C@@H](Oc2c(O)c([O-])ccc2C(=O)c2ccccc2)C[NH2+]1 ZINC001218399402 1315189779 /nfs/dbraw/zinc/18/97/79/1315189779.db2.gz PZYBLYJNXHUPNJ-GXTWGEPZSA-N 0 3 327.380 2.848 20 10 EFCDHN O=C1c2ccccc2C(=O)c2cc(O[C@H]3CNCCC3(F)F)ccc21 ZINC001218451869 1315198281 /nfs/dbraw/zinc/19/82/81/1315198281.db2.gz HOUSLNQXGLUUHY-INIZCTEOSA-N 0 3 343.329 2.838 20 10 EFCDHN Cc1cc(O[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)c2c(c1)C(=O)c1cccc([O-])c1C2=O ZINC001218479771 1315202873 /nfs/dbraw/zinc/20/28/73/1315202873.db2.gz SLWCREHASMWANF-SGIREYDYSA-N 0 3 349.386 2.748 20 10 EFCDHN COc1cccc([C@H](O)CN2CCCc3cc(O)c(O)cc3C2)c1 ZINC001250718571 1315250210 /nfs/dbraw/zinc/25/02/10/1315250210.db2.gz VJCICWVZTYCVAU-LJQANCHMSA-N 0 3 329.396 2.588 20 10 EFCDHN CCc1ccc(CN2CC3(C2)CCN(C(=O)NC(C)C)C3)c(O)c1 ZINC001276804879 1315313492 /nfs/dbraw/zinc/31/34/92/1315313492.db2.gz MRJNQHPSMQWNSD-UHFFFAOYSA-N 0 3 331.460 2.580 20 10 EFCDHN COc1ccc(C[NH+]2CC3(CN(Cc4ccc[nH]4)C3)C2)c([O-])c1Cl ZINC001276806169 1315326952 /nfs/dbraw/zinc/32/69/52/1315326952.db2.gz JBXUCMJVUXRYQJ-UHFFFAOYSA-N 0 3 347.846 2.700 20 10 EFCDHN C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001220212869 1315385467 /nfs/dbraw/zinc/38/54/67/1315385467.db2.gz ZNJJWCZVQHWXHQ-JQWIXIFHSA-N 0 3 333.819 2.598 20 10 EFCDHN O=C(C=C1CC[NH2+]CC1)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001220212601 1315385637 /nfs/dbraw/zinc/38/56/37/1315385637.db2.gz PMAGHYJLLNMAQK-UHFFFAOYSA-N 0 3 331.803 2.520 20 10 EFCDHN CC(C)CCN1CC[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001039061696 1315434738 /nfs/dbraw/zinc/43/47/38/1315434738.db2.gz SMHOTRGYGGNTMH-HNNXBMFYSA-N 0 3 331.420 2.699 20 10 EFCDHN CC[N@@H+](Cc1ccccc1[O-])C[C@H](O)COc1ccc(OC)cc1 ZINC001252719566 1315493317 /nfs/dbraw/zinc/49/33/17/1315493317.db2.gz ZEIQCCSJKXKYEI-INIZCTEOSA-N 0 3 331.412 2.663 20 10 EFCDHN CC[N@H+](Cc1ccccc1[O-])C[C@H](O)COc1ccc(OC)cc1 ZINC001252719566 1315493320 /nfs/dbraw/zinc/49/33/20/1315493320.db2.gz ZEIQCCSJKXKYEI-INIZCTEOSA-N 0 3 331.412 2.663 20 10 EFCDHN CCOC(=O)[C@H]1CCC[C@@H](N2CCN(c3ccc(OC)cc3)CC2)C1 ZINC001255356173 1315808528 /nfs/dbraw/zinc/80/85/28/1315808528.db2.gz HSIWMJXEZADLSC-FUHWJXTLSA-N 0 3 346.471 2.939 20 10 EFCDHN COC[C@H](C)N1CCN(c2ccc(OCc3cccnc3)cc2)CC1 ZINC001255579915 1315843023 /nfs/dbraw/zinc/84/30/23/1315843023.db2.gz WGNVUFYCIVQXLW-KRWDZBQOSA-N 0 3 341.455 2.818 20 10 EFCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CC[C@H]2CN(Cc3cn[nH]c3)C[C@H]21 ZINC001279293772 1317228158 /nfs/dbraw/zinc/22/81/58/1317228158.db2.gz OSZKPNNTLHQPTQ-FXAWDEMLSA-N 0 3 348.450 2.975 20 10 EFCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CC[C@H]2CN(Cc3cn[nH]c3)C[C@H]21 ZINC001279293772 1317228163 /nfs/dbraw/zinc/22/81/63/1317228163.db2.gz OSZKPNNTLHQPTQ-FXAWDEMLSA-N 0 3 348.450 2.975 20 10 EFCDHN Cc1ncsc1CN(C)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001323309041 1329533855 /nfs/dbraw/zinc/53/38/55/1329533855.db2.gz CRRHPXUYVSJBPU-UHFFFAOYSA-N 0 3 348.491 2.974 20 10 EFCDHN CCOc1cccc(CN2CCCN(Cc3cc(C)on3)CC2)c1O ZINC001324732445 1329654514 /nfs/dbraw/zinc/65/45/14/1329654514.db2.gz QUISGRZROGSOON-UHFFFAOYSA-N 0 3 345.443 2.795 20 10 EFCDHN Nc1ccc(CN2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)cc1 ZINC001334774028 1331305134 /nfs/dbraw/zinc/30/51/34/1331305134.db2.gz CJPBVUZAGRVGBA-QGZVFWFLSA-N 0 3 328.391 2.804 20 10 EFCDHN CCc1ccc([C@H](CNC(=O)NCc2ccc(N)cc2)N(C)C)cc1 ZINC001335912638 1331416220 /nfs/dbraw/zinc/41/62/20/1331416220.db2.gz WPMGFLAXNFLWCZ-IBGZPJMESA-N 0 3 340.471 2.933 20 10 EFCDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)NCc1ccc(N)cc1 ZINC001337019806 1331528367 /nfs/dbraw/zinc/52/83/67/1331528367.db2.gz VQQYBSPDLZDRMP-UHFFFAOYSA-N 0 3 344.434 2.681 20 10 EFCDHN O=C(NCc1c(O)ccc2c1CCCC2)c1cc2c(s1)CNCC2 ZINC001340987568 1332225111 /nfs/dbraw/zinc/22/51/11/1332225111.db2.gz VXAWLKHLKLNBFY-UHFFFAOYSA-N 0 3 342.464 2.908 20 10 EFCDHN C[C@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)n1cccc1 ZINC001352167230 1333411942 /nfs/dbraw/zinc/41/19/42/1333411942.db2.gz IZWZUQAXJKTUBA-CRAIPNDOSA-N 0 3 328.460 2.534 20 10 EFCDHN COc1cc(C)cc(CN2CCC(Oc3ncc(C)cn3)CC2)c1O ZINC000848493839 1334749826 /nfs/dbraw/zinc/74/98/26/1334749826.db2.gz LPNMDGGOXRGUIB-UHFFFAOYSA-N 0 3 343.427 2.851 20 10 EFCDHN Cc1ncncc1[C@@H](C)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000848526804 1334774969 /nfs/dbraw/zinc/77/49/69/1334774969.db2.gz IEHCAZOVAOINJL-OAHLLOKOSA-N 0 3 340.471 2.845 20 10 EFCDHN Cn1nnc2c1CC[C@@H]([NH2+]Cc1cc(-c3ccccc3)ccc1[O-])C2 ZINC000848566463 1334797636 /nfs/dbraw/zinc/79/76/36/1334797636.db2.gz YLQGKECYQGMKOD-QGZVFWFLSA-N 0 3 334.423 2.835 20 10 EFCDHN CCc1cccc(CN2CCN(c3cc(OC)ccn3)CC2)c1O ZINC000848884799 1334960386 /nfs/dbraw/zinc/96/03/86/1334960386.db2.gz FWTCWENMQXMDKN-UHFFFAOYSA-N 0 3 327.428 2.680 20 10 EFCDHN CCOc1ccc(C[NH+]2CCC([C@@H]3NC(=O)C3(C)C)CC2)c([O-])c1 ZINC000848918767 1334985098 /nfs/dbraw/zinc/98/50/98/1334985098.db2.gz LKWTWUFKQVXINH-KRWDZBQOSA-N 0 3 332.444 2.528 20 10 EFCDHN COc1cccc(O)c1CN1CCC(Oc2ncc(C)cn2)CC1 ZINC000848925327 1334990998 /nfs/dbraw/zinc/99/09/98/1334990998.db2.gz SRVUPJNWTCVOCQ-UHFFFAOYSA-N 0 3 329.400 2.543 20 10 EFCDHN NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CCN(CCCCCF)C2)cc1 ZINC001690112811 1417156768 /nfs/dbraw/zinc/15/67/68/1417156768.db2.gz MNMFNRROTPYOTE-OAHLLOKOSA-N 0 3 349.410 2.793 20 10 EFCDHN Cc1ncc(/C=C\C(=O)N2C[C@H](N(C)C)Cc3ccccc32)s1 ZINC000255074305 713607151 /nfs/dbraw/zinc/60/71/51/713607151.db2.gz XKRYOHXVZMPILO-WHLNPGIBSA-N 0 3 327.453 2.984 20 10 EFCDHN CC(C)n1cnc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)c1 ZINC000891246298 714133143 /nfs/dbraw/zinc/13/31/43/714133143.db2.gz BXKKCTSLHSFUPZ-SFHVURJKSA-N 0 3 343.475 2.563 20 10 EFCDHN C[C@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)C(C)(F)F ZINC000891246294 714133297 /nfs/dbraw/zinc/13/32/97/714133297.db2.gz BXJYHBKTOFAERV-IUODEOHRSA-N 0 3 327.419 2.763 20 10 EFCDHN CCc1cccnc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891246381 714133509 /nfs/dbraw/zinc/13/35/09/714133509.db2.gz BWSQYSCYBSLMNF-GOSISDBHSA-N 0 3 340.471 2.743 20 10 EFCDHN CCc1[nH]ccc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891247395 714135399 /nfs/dbraw/zinc/13/53/99/714135399.db2.gz JUPKNHVLMIIDKS-GOSISDBHSA-N 0 3 328.460 2.676 20 10 EFCDHN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891247839 714136361 /nfs/dbraw/zinc/13/63/61/714136361.db2.gz VOZRYDQCURQLKJ-KDQHYCTGSA-N 0 3 347.503 2.531 20 10 EFCDHN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891247840 714136494 /nfs/dbraw/zinc/13/64/94/714136494.db2.gz VOZRYDQCURQLKJ-WCVDCBDPSA-N 0 3 347.503 2.531 20 10 EFCDHN C[C@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1ccccn1 ZINC000891249804 714139436 /nfs/dbraw/zinc/13/94/36/714139436.db2.gz SXBKZTSTNVIXBL-KXBFYZLASA-N 0 3 340.471 2.670 20 10 EFCDHN CC[C@H](C)[C@@H](OC)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891248802 714139699 /nfs/dbraw/zinc/13/96/99/714139699.db2.gz OETSXAMWXHYNEO-BMGDILEWSA-N 0 3 335.492 2.533 20 10 EFCDHN CCC(C)(C)OCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891248870 714139722 /nfs/dbraw/zinc/13/97/22/714139722.db2.gz NVRZLUCWQFGEOV-KRWDZBQOSA-N 0 3 335.492 2.677 20 10 EFCDHN Cc1cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)cnc1F ZINC000891248899 714139853 /nfs/dbraw/zinc/13/98/53/714139853.db2.gz OJTROXUOTVHXMY-KRWDZBQOSA-N 0 3 344.434 2.628 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=O)COC2CCCCC2)N(C)C)cc1 ZINC000891251276 714143857 /nfs/dbraw/zinc/14/38/57/714143857.db2.gz BKGUAHCGYMGJEA-LJQANCHMSA-N 0 3 347.503 2.821 20 10 EFCDHN CC(C)c1ocnc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891252666 714145338 /nfs/dbraw/zinc/14/53/38/714145338.db2.gz LZYGWOLNPGGZEY-INIZCTEOSA-N 0 3 344.459 2.897 20 10 EFCDHN CC(C)c1ocnc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891252667 714145443 /nfs/dbraw/zinc/14/54/43/714145443.db2.gz LZYGWOLNPGGZEY-MRXNPFEDSA-N 0 3 344.459 2.897 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=O)c2ccncc2Cl)N(C)C)cc1 ZINC000891254580 714148322 /nfs/dbraw/zinc/14/83/22/714148322.db2.gz ZMLRJDVBNNEKTG-QGZVFWFLSA-N 0 3 346.862 2.834 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=O)CSC(F)(F)F)N(C)C)cc1 ZINC000891255456 714151769 /nfs/dbraw/zinc/15/17/69/714151769.db2.gz PQQJXQXQVCYEBL-CYBMUJFWSA-N 0 3 349.422 2.725 20 10 EFCDHN CC(C)CO[C@@H](C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891255417 714151818 /nfs/dbraw/zinc/15/18/18/714151818.db2.gz OWBGUUFLUMXSDD-MAUKXSAKSA-N 0 3 335.492 2.533 20 10 EFCDHN COc1ccc(CN(C)[C@@H]2CCCc3c2cnn3C)c(O)c1OC ZINC000892194952 715319540 /nfs/dbraw/zinc/31/95/40/715319540.db2.gz KBCUHHXBYXDYMA-CQSZACIVSA-N 0 3 331.416 2.652 20 10 EFCDHN COc1ccc(CN(C)[C@H]2CCCc3c2cnn3C)c(O)c1OC ZINC000892194948 715319821 /nfs/dbraw/zinc/31/98/21/715319821.db2.gz KBCUHHXBYXDYMA-AWEZNQCLSA-N 0 3 331.416 2.652 20 10 EFCDHN CC[NH+]1CCC(N(C)Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000125224690 715994581 /nfs/dbraw/zinc/99/45/81/715994581.db2.gz QIKVCFKYRKIFMP-UHFFFAOYSA-N 0 3 327.812 2.870 20 10 EFCDHN C[C@H]([NH2+]C[C@@H]1COCCN1C(=O)OC(C)(C)C)c1ccccc1[O-] ZINC000310080035 717424068 /nfs/dbraw/zinc/42/40/68/717424068.db2.gz UQCLXQKAZBUCEB-UONOGXRCSA-N 0 3 336.432 2.679 20 10 EFCDHN CC(=O)N(C)C1CCN(Cc2cc(C(C)(C)C)cc(O)c2O)CC1 ZINC000128758034 717702843 /nfs/dbraw/zinc/70/28/43/717702843.db2.gz WHJMDUQBMWQWNV-UHFFFAOYSA-N 0 3 334.460 2.838 20 10 EFCDHN C[C@@H](NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1ccc[nH]1 ZINC000893898119 720144500 /nfs/dbraw/zinc/14/45/00/720144500.db2.gz PSZMMLOMNFYXRB-KDOFPFPSSA-N 0 3 343.475 2.744 20 10 EFCDHN CCN(Cc1ccccc1)C(=O)CNCc1cc(C)cc(OC)c1O ZINC000894206628 721207387 /nfs/dbraw/zinc/20/73/87/721207387.db2.gz HSUNHYAIDWDKCY-UHFFFAOYSA-N 0 3 342.439 2.848 20 10 EFCDHN Cc1nn(C)c2ncc(CNCc3ccc(N(C)C)c(F)c3)cc12 ZINC000237130405 721893633 /nfs/dbraw/zinc/89/36/33/721893633.db2.gz JIZUHAFYLMPACT-UHFFFAOYSA-N 0 3 327.407 2.772 20 10 EFCDHN COc1ccc(CN2C[C@@H](O)C[C@@H]2c2ccccc2)c(O)c1OC ZINC000894899883 723018290 /nfs/dbraw/zinc/01/82/90/723018290.db2.gz BWEJAMCLDXRPFU-JKSUJKDBSA-N 0 3 329.396 2.717 20 10 EFCDHN Cc1cc(Br)cc(C[N@@H+]2CC[C@H](C3OCCO3)C2)c1[O-] ZINC000896386152 723278104 /nfs/dbraw/zinc/27/81/04/723278104.db2.gz KRQXVSNRUDINEF-NSHDSACASA-N 0 3 342.233 2.658 20 10 EFCDHN Cc1cc(Br)cc(C[N@H+]2CC[C@H](C3OCCO3)C2)c1[O-] ZINC000896386152 723278108 /nfs/dbraw/zinc/27/81/08/723278108.db2.gz KRQXVSNRUDINEF-NSHDSACASA-N 0 3 342.233 2.658 20 10 EFCDHN C[S@](=O)CCC[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000896678843 723437054 /nfs/dbraw/zinc/43/70/54/723437054.db2.gz OVKYZFNIWPAFOM-QHCPKHFHSA-N 0 3 333.453 2.829 20 10 EFCDHN COc1c(O)c(CNCc2nc3c(s2)CCCC3)ccc1[N+](=O)[O-] ZINC000896825920 723508417 /nfs/dbraw/zinc/50/84/17/723508417.db2.gz ZUONKMWZSUHVOP-UHFFFAOYSA-N 0 3 349.412 2.934 20 10 EFCDHN Fc1cc(CNCc2n[nH]c3ccccc32)ccc1N1CCOCC1 ZINC000727467352 724055922 /nfs/dbraw/zinc/05/59/22/724055922.db2.gz TWHRFZKZHJGKME-UHFFFAOYSA-N 0 3 340.402 2.828 20 10 EFCDHN Fc1cc(CNCc2[nH]nc3ccccc32)ccc1N1CCOCC1 ZINC000727467352 724055925 /nfs/dbraw/zinc/05/59/25/724055925.db2.gz TWHRFZKZHJGKME-UHFFFAOYSA-N 0 3 340.402 2.828 20 10 EFCDHN Cn1ncc(CNCc2ccc(N3CCC(O)CC3)cc2)c1C1CC1 ZINC000895451176 724140161 /nfs/dbraw/zinc/14/01/61/724140161.db2.gz JJXOEWPZYONLLZ-UHFFFAOYSA-N 0 3 340.471 2.548 20 10 EFCDHN COc1cc(C)cc(CN2CCCN(C(=O)CC(C)C)CC2)c1O ZINC000895466804 724148587 /nfs/dbraw/zinc/14/85/87/724148587.db2.gz ZXHSEDPRUHAGIH-UHFFFAOYSA-N 0 3 334.460 2.790 20 10 EFCDHN COc1ccc(O)c(CN[C@@H]2CCN(c3cccc(Cl)c3)C2=O)c1 ZINC000895495282 724166596 /nfs/dbraw/zinc/16/65/96/724166596.db2.gz PYJJMYFUNZGKFC-MRXNPFEDSA-N 0 3 346.814 2.949 20 10 EFCDHN Cc1ccc(CN[C@@H]2CCN(c3c(F)cccc3F)C2=O)c(O)c1 ZINC000895495547 724167137 /nfs/dbraw/zinc/16/71/37/724167137.db2.gz SDALDNUKQYRAAH-OAHLLOKOSA-N 0 3 332.350 2.874 20 10 EFCDHN CCO/C=C/[C@@](O)(CNCc1ccc(N(C)C)cc1)C(F)(F)F ZINC000895710420 724269810 /nfs/dbraw/zinc/26/98/10/724269810.db2.gz VFGNZCANAVQCCW-BOLDSZDNSA-N 0 3 332.366 2.686 20 10 EFCDHN CCO/C=C\[C@](O)(CNCc1ccc(N(C)C)cc1C)C(F)(F)F ZINC000895715223 724275059 /nfs/dbraw/zinc/27/50/59/724275059.db2.gz AOXCFERZYYVWKZ-QWGSZXSUSA-N 0 3 346.393 2.994 20 10 EFCDHN CCO/C=C\[C@@](O)(CNCc1ccc2c(c1)CCO2)C(F)(F)F ZINC000895709302 724279603 /nfs/dbraw/zinc/27/96/03/724279603.db2.gz ZDRVXLQDZIBNSJ-DDJMYBDESA-N 0 3 331.334 2.555 20 10 EFCDHN CCO/C=C\[C@@](O)(C[NH2+]Cc1ccc(OCC)cc1[O-])C(F)(F)F ZINC000895709220 724279770 /nfs/dbraw/zinc/27/97/70/724279770.db2.gz XXMORCRBZDYYDY-ZPIQOJFGSA-N 0 3 349.349 2.724 20 10 EFCDHN COc1ccc(CNCc2cc3c([nH]c2=O)CCCC3)c(O)c1OC ZINC000895880739 724366095 /nfs/dbraw/zinc/36/60/95/724366095.db2.gz YWZFKOGSOAJJGY-UHFFFAOYSA-N 0 3 344.411 2.679 20 10 EFCDHN CON(C)C(=O)[C@H](CCSC)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000090462916 725985895 /nfs/dbraw/zinc/98/58/95/725985895.db2.gz KUJLHEKYPOGNMS-CJNGLKHVSA-N 0 3 339.505 2.545 20 10 EFCDHN CC(C)NC(=O)CCNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000915229170 726907594 /nfs/dbraw/zinc/90/75/94/726907594.db2.gz XXVYKDIZKBYRGL-UHFFFAOYSA-N 0 3 348.447 2.589 20 10 EFCDHN CC(C)(C)NC(=O)NC(=O)C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000731846120 726941933 /nfs/dbraw/zinc/94/19/33/726941933.db2.gz SOABTTQIEUGSII-UHFFFAOYSA-N 0 3 347.459 2.761 20 10 EFCDHN CC(C)(C)NC(=O)NC(=O)C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000731846120 726941937 /nfs/dbraw/zinc/94/19/37/726941937.db2.gz SOABTTQIEUGSII-UHFFFAOYSA-N 0 3 347.459 2.761 20 10 EFCDHN O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1cc([O-])cs1 ZINC000732286195 727016381 /nfs/dbraw/zinc/01/63/81/727016381.db2.gz BUSXSFKBHQMPNP-HNNXBMFYSA-N 0 3 330.453 2.748 20 10 EFCDHN O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1cc([O-])cs1 ZINC000732286195 727016385 /nfs/dbraw/zinc/01/63/85/727016385.db2.gz BUSXSFKBHQMPNP-HNNXBMFYSA-N 0 3 330.453 2.748 20 10 EFCDHN Nc1ccc(NC(=O)CCCN2CCN(c3ccccc3)CC2)cc1 ZINC000237971977 727059813 /nfs/dbraw/zinc/05/98/13/727059813.db2.gz GBGMRDQAOGXBDI-UHFFFAOYSA-N 0 3 338.455 2.810 20 10 EFCDHN CCN(Cc1cc2c(cc1O)OCO2)C[C@@H]1COc2ccccc2O1 ZINC000915824789 727174357 /nfs/dbraw/zinc/17/43/57/727174357.db2.gz IULKQPSEIZEOTA-CQSZACIVSA-N 0 3 343.379 2.783 20 10 EFCDHN CN1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC12CCCCC2 ZINC000908573900 727219183 /nfs/dbraw/zinc/21/91/83/727219183.db2.gz VKWDBSSPXBXRBD-SOFGYWHQSA-N 0 3 330.428 2.588 20 10 EFCDHN C[C@H]1[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CCCN1CCCF ZINC000994497772 727772127 /nfs/dbraw/zinc/77/21/27/727772127.db2.gz RENZGSUYHWOCRB-WFASDCNBSA-N 0 3 349.410 2.791 20 10 EFCDHN COc1ccc(O)c([C@H](C)NCC(=O)Nc2cc(F)ccc2F)c1 ZINC000182366528 728119907 /nfs/dbraw/zinc/11/99/07/728119907.db2.gz LCIQWEGDBYQGAZ-JTQLQIEISA-N 0 3 336.338 2.968 20 10 EFCDHN COc1ccc(O)c([C@H](C)NCC(=O)Nc2cccc(C(C)=O)c2)c1 ZINC000182396029 728134755 /nfs/dbraw/zinc/13/47/55/728134755.db2.gz KAEUCHBMDPKNRZ-LBPRGKRZSA-N 0 3 342.395 2.893 20 10 EFCDHN COc1ccc(O)c([C@H](C)NCC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)c1 ZINC000182406525 728146015 /nfs/dbraw/zinc/14/60/15/728146015.db2.gz INLORWVWLHROIH-VWPFQQQWSA-N 0 3 334.460 2.992 20 10 EFCDHN COc1ccc(O)c([C@@H](C)NCC(=O)Nc2cc(C(C)(C)C)no2)c1 ZINC000182431228 728149396 /nfs/dbraw/zinc/14/93/96/728149396.db2.gz UDJSZUZMIKWAHI-LLVKDONJSA-N 0 3 347.415 2.976 20 10 EFCDHN C[C@@H](C[NH2+]Cc1cccc(Br)c1[O-])CN1CCCC1 ZINC000060942133 728450968 /nfs/dbraw/zinc/45/09/68/728450968.db2.gz LGRSJAVYDGMCNV-LBPRGKRZSA-N 0 3 327.266 2.976 20 10 EFCDHN CCC[C@H](C)NC(=O)[C@H](C)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000920871017 729238425 /nfs/dbraw/zinc/23/84/25/729238425.db2.gz VRRKMHBKAVNAAX-BBWFWOEESA-N 0 3 347.503 2.867 20 10 EFCDHN COC(=O)[C@H](C)Oc1ccccc1CNCc1ccc(N(C)C)cc1 ZINC000921496185 729462287 /nfs/dbraw/zinc/46/22/87/729462287.db2.gz PPDVZRDYRAYVSM-HNNXBMFYSA-N 0 3 342.439 2.983 20 10 EFCDHN CCC[N@H+](CCN1C(=O)c2ccccc2C1=O)Cc1ccccc1[O-] ZINC000069009982 729770605 /nfs/dbraw/zinc/77/06/05/729770605.db2.gz KGSNLQOTAHZITA-UHFFFAOYSA-N 0 3 338.407 2.900 20 10 EFCDHN CCC[N@@H+](CCN1C(=O)c2ccccc2C1=O)Cc1ccccc1[O-] ZINC000069009982 729770606 /nfs/dbraw/zinc/77/06/06/729770606.db2.gz KGSNLQOTAHZITA-UHFFFAOYSA-N 0 3 338.407 2.900 20 10 EFCDHN C[C@@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)N(C)Cc1ccccc1 ZINC000181065259 729777947 /nfs/dbraw/zinc/77/79/47/729777947.db2.gz YTLYINAKDBJUSZ-GDXASINISA-N 0 3 340.423 2.748 20 10 EFCDHN COc1ccc(C[C@@](C)(CO)[NH2+]Cc2ccc(C)cc2[O-])cc1OC ZINC000877831681 1126123532 /nfs/dbraw/zinc/12/35/32/1126123532.db2.gz WOYSRWQKXBNXMI-FQEVSTJZSA-N 0 3 345.439 2.801 20 10 EFCDHN COc1cccc([O-])c1C[NH2+][C@H](CO)Cc1c[nH]c2ccccc12 ZINC000883003860 1126124346 /nfs/dbraw/zinc/12/43/46/1126124346.db2.gz LWKBPNIUJSECDM-AWEZNQCLSA-N 0 3 326.396 2.575 20 10 EFCDHN CC(=O)N1CCC(N(Cc2cncs2)Cc2ccc(N)cc2)CC1 ZINC001574987940 1088187437 /nfs/dbraw/zinc/18/74/37/1088187437.db2.gz YQBPGAYZJGYNHK-UHFFFAOYSA-N 0 3 344.484 2.738 20 10 EFCDHN CN(Cc1ccc(N2CCCC2)cc1)C(=O)C1(N)Cc2ccccc2C1 ZINC001578489854 1090385154 /nfs/dbraw/zinc/38/51/54/1090385154.db2.gz QJUKJJHDSDXYNO-UHFFFAOYSA-N 0 3 349.478 2.742 20 10 EFCDHN COc1ccc(N2CCN(C(=O)[C@@H](N)C3CCCCCC3)CC2)cc1 ZINC001579225072 1090551269 /nfs/dbraw/zinc/55/12/69/1090551269.db2.gz CWHKTBUSOSMLTN-IBGZPJMESA-N 0 3 345.487 2.642 20 10 EFCDHN CSCC[C@H](N)C(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC001579379227 1090600030 /nfs/dbraw/zinc/60/00/30/1090600030.db2.gz YEUNMQZPBJTXEL-KRWDZBQOSA-N 0 3 331.485 2.791 20 10 EFCDHN O=C(NCc1cc(Cl)ccc1O)Nc1ccc2c(c1)CNCCO2 ZINC001580707895 1090990024 /nfs/dbraw/zinc/99/00/24/1090990024.db2.gz GJWRNUCORCNTKX-UHFFFAOYSA-N 0 3 347.802 2.849 20 10 EFCDHN COc1ccc(O)c([C@@H](C)[NH2+]Cc2cccc(F)c2-c2nnn[n-]2)c1 ZINC001591618151 1093801913 /nfs/dbraw/zinc/80/19/13/1093801913.db2.gz GGVNCJVRWXHZPQ-SNVBAGLBSA-N 0 3 343.362 2.571 20 10 EFCDHN Cc1cc(N(C)C)ccc1C[N@H+](C)Cc1cc(-c2nnn[n-]2)cs1 ZINC001605683404 1097194502 /nfs/dbraw/zinc/19/45/02/1097194502.db2.gz GBZAMSJTTJMMSW-UHFFFAOYSA-N 0 3 342.472 2.935 20 10 EFCDHN Cc1cc(N(C)C)ccc1C[N@@H+](C)Cc1cc(-c2nnn[n-]2)cs1 ZINC001605683404 1097194504 /nfs/dbraw/zinc/19/45/04/1097194504.db2.gz GBZAMSJTTJMMSW-UHFFFAOYSA-N 0 3 342.472 2.935 20 10 EFCDHN [O-]c1cccc(Br)c1CN1CCC[C@@]12CCC[NH2+]C2 ZINC001222242219 1098633681 /nfs/dbraw/zinc/63/36/81/1098633681.db2.gz CGNLCRBWBSWOJE-OAHLLOKOSA-N 0 3 325.250 2.873 20 10 EFCDHN Cc1cc2cnc(NCc3ccc(N4CCN(C)CC4)cc3)nc2[nH]1 ZINC001167423429 1101574168 /nfs/dbraw/zinc/57/41/68/1101574168.db2.gz ZHERXZUQPPCVEG-UHFFFAOYSA-N 0 3 336.443 2.582 20 10 EFCDHN COc1cc([O-])c(CN2C[C@@H](C[NH3+])CC[C@@H]2C)c(Br)c1 ZINC001206810781 1101679218 /nfs/dbraw/zinc/67/92/18/1101679218.db2.gz PLPYOZVFYMDNDH-WDEREUQCSA-N 0 3 343.265 2.723 20 10 EFCDHN CO[C@@H]1CCOC[C@H]1NCc1ccc(N(C)C)cc1C(F)(F)F ZINC000897890374 1106132680 /nfs/dbraw/zinc/13/26/80/1106132680.db2.gz OUXLFRCTVYXWHH-HUUCEWRRSA-N 0 3 332.366 2.665 20 10 EFCDHN C[C@H](F)CCN1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC000989767944 1106633215 /nfs/dbraw/zinc/63/32/15/1106633215.db2.gz QIXNDVHKOSMMQB-ZDUSSCGKSA-N 0 3 349.410 2.745 20 10 EFCDHN CCCCN1C[C@]2(CC1=O)CCCCN2Cc1cc(O)ccc1O ZINC001272385887 1108149470 /nfs/dbraw/zinc/14/94/70/1108149470.db2.gz GUYKPRFZGJHADR-LJQANCHMSA-N 0 3 332.444 2.855 20 10 EFCDHN CC[C@H](C)N1C[C@@]2(CC1=O)CCCCN2Cc1cc(O)ccc1O ZINC001272387317 1108152210 /nfs/dbraw/zinc/15/22/10/1108152210.db2.gz WNKPBBVJPGHUQQ-LIRRHRJNSA-N 0 3 332.444 2.853 20 10 EFCDHN C[C@@H]1CN(c2ccc(CNC[C@](C)(O)C(F)F)cc2F)C[C@H](C)O1 ZINC000905054938 1108363240 /nfs/dbraw/zinc/36/32/40/1108363240.db2.gz LSDLWQYOWSTCPF-JKDFXYPNSA-N 0 3 346.393 2.545 20 10 EFCDHN CN(C)c1ccc([C@H](C[NH2+]Cc2cc(F)ccc2[O-])N(C)C)cc1 ZINC000898449779 1108943080 /nfs/dbraw/zinc/94/30/80/1108943080.db2.gz KFYBWWYZDSDYDR-SFHVURJKSA-N 0 3 331.435 2.990 20 10 EFCDHN C[C@H](NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)C(=O)OC(C)(C)C ZINC000898448786 1108943266 /nfs/dbraw/zinc/94/32/66/1108943266.db2.gz XDHWTHYXVSPHNI-YOEHRIQHSA-N 0 3 335.492 2.675 20 10 EFCDHN CC(C)N(C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)C1CC1 ZINC000899101275 1109202044 /nfs/dbraw/zinc/20/20/44/1109202044.db2.gz HWQJDZQZKJTZSK-GOSISDBHSA-N 0 3 332.492 2.938 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=O)NC2(C3CC3)CC2)N(C)C)cc1 ZINC000899101774 1109202242 /nfs/dbraw/zinc/20/22/42/1109202242.db2.gz MCNQZBJPHXNUEW-QGZVFWFLSA-N 0 3 330.476 2.597 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=O)N(C)Cc2ccoc2)N(C)C)cc1 ZINC000899101332 1109202250 /nfs/dbraw/zinc/20/22/50/1109202250.db2.gz IYVZBARNUKXWEN-GOSISDBHSA-N 0 3 344.459 2.790 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=O)N2CC[C@H](C3CC3)C2)N(C)C)cc1 ZINC000899101409 1109202369 /nfs/dbraw/zinc/20/23/69/1109202369.db2.gz HSYSGEBJMRJYKD-PKOBYXMFSA-N 0 3 344.503 2.797 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)N2CCC(C)(C)C2)N(C)C)cc1 ZINC000899102245 1109202387 /nfs/dbraw/zinc/20/23/87/1109202387.db2.gz OTYLTJZCZJEIMK-KRWDZBQOSA-N 0 3 332.492 2.797 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)N2C3CCC2CC3)N(C)C)cc1 ZINC000899103033 1109202836 /nfs/dbraw/zinc/20/28/36/1109202836.db2.gz VGVXGSIGXSLKSD-ABHNRTSZSA-N 0 3 330.476 2.692 20 10 EFCDHN C[C@@H]1C[C@H](C)N(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC000899102768 1109202889 /nfs/dbraw/zinc/20/28/89/1109202889.db2.gz RMPKNBBORFVLPK-VKJFTORMSA-N 0 3 332.492 2.795 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)N2CCC=C(F)C2)N(C)C)cc1 ZINC000899103932 1109203042 /nfs/dbraw/zinc/20/30/42/1109203042.db2.gz PKVZODNWSAEHRD-KRWDZBQOSA-N 0 3 334.439 2.624 20 10 EFCDHN CCCN(C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)C1CC1 ZINC000899105197 1109203972 /nfs/dbraw/zinc/20/39/72/1109203972.db2.gz VFDUIDYVNABPPU-GOSISDBHSA-N 0 3 332.492 2.939 20 10 EFCDHN C[C@@H]1CN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)C[C@H]1C ZINC000899100496 1109208340 /nfs/dbraw/zinc/20/83/40/1109208340.db2.gz AGHQPJBZKZVJNE-RKVPGOIHSA-N 0 3 332.492 2.653 20 10 EFCDHN O=C1CC[C@@H]2[C@@H](CC[N@H+]2Cc2ccccc2[O-])N1CCC(F)(F)F ZINC001272618625 1111752766 /nfs/dbraw/zinc/75/27/66/1111752766.db2.gz KRWDGGKBFJHBBA-ZIAGYGMSSA-N 0 3 342.361 2.910 20 10 EFCDHN O=C1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccccc2[O-])N1CCC(F)(F)F ZINC001272618625 1111752770 /nfs/dbraw/zinc/75/27/70/1111752770.db2.gz KRWDGGKBFJHBBA-ZIAGYGMSSA-N 0 3 342.361 2.910 20 10 EFCDHN O=C1N(CCC(F)(F)F)CC[C@]12CCC[N@H+]2Cc1ccccc1[O-] ZINC001272618447 1111752846 /nfs/dbraw/zinc/75/28/46/1111752846.db2.gz IEFIDIGFPGVUEM-MRXNPFEDSA-N 0 3 342.361 2.912 20 10 EFCDHN O=C1N(CCC(F)(F)F)CC[C@]12CCC[N@@H+]2Cc1ccccc1[O-] ZINC001272618447 1111752852 /nfs/dbraw/zinc/75/28/52/1111752852.db2.gz IEFIDIGFPGVUEM-MRXNPFEDSA-N 0 3 342.361 2.912 20 10 EFCDHN CCOCCN1CC2(CCC1=O)CC[NH+](Cc1ccccc1[O-])CC2 ZINC001272618425 1111752910 /nfs/dbraw/zinc/75/29/10/1111752910.db2.gz HJEJKMNGKQWJSK-UHFFFAOYSA-N 0 3 346.471 2.633 20 10 EFCDHN CC(=O)[C@H](C)N1CC2(CCC1=O)CC[NH+](Cc1ccccc1[O-])CC2 ZINC001272618436 1111753163 /nfs/dbraw/zinc/75/31/63/1111753163.db2.gz HTKZFAPRFHJPGQ-HNNXBMFYSA-N 0 3 344.455 2.574 20 10 EFCDHN CC[C@@H](C)N1C(=O)C[C@@]2(CCC[N@H+](Cc3ccccc3[O-])C2)C1=O ZINC001272618626 1111753199 /nfs/dbraw/zinc/75/31/99/1111753199.db2.gz KTFGUXZCAROIEH-AUUYWEPGSA-N 0 3 330.428 2.532 20 10 EFCDHN CC[C@@H](C)N1C(=O)C[C@@]2(CCC[N@@H+](Cc3ccccc3[O-])C2)C1=O ZINC001272618626 1111753202 /nfs/dbraw/zinc/75/32/02/1111753202.db2.gz KTFGUXZCAROIEH-AUUYWEPGSA-N 0 3 330.428 2.532 20 10 EFCDHN CC(=O)[C@H](C)N1CC[C@@]2(CCC[N@H+](Cc3ccccc3[O-])CC2)C1=O ZINC001272619745 1111755605 /nfs/dbraw/zinc/75/56/05/1111755605.db2.gz ZAZWOIRPLFRDGZ-YWZLYKJASA-N 0 3 344.455 2.574 20 10 EFCDHN CC(=O)[C@H](C)N1CC[C@@]2(CCC[N@@H+](Cc3ccccc3[O-])CC2)C1=O ZINC001272619745 1111755608 /nfs/dbraw/zinc/75/56/08/1111755608.db2.gz ZAZWOIRPLFRDGZ-YWZLYKJASA-N 0 3 344.455 2.574 20 10 EFCDHN O=C1C[C@]2(CCC[N@@H+](Cc3ccccc3[O-])C2)C(=O)N1C1CCCC1 ZINC001272619432 1111755768 /nfs/dbraw/zinc/75/57/68/1111755768.db2.gz VRQSBLRMIVTGIW-FQEVSTJZSA-N 0 3 342.439 2.676 20 10 EFCDHN O=C1C[C@]2(CCC[N@H+](Cc3ccccc3[O-])C2)C(=O)N1C1CCCC1 ZINC001272619432 1111755770 /nfs/dbraw/zinc/75/57/70/1111755770.db2.gz VRQSBLRMIVTGIW-FQEVSTJZSA-N 0 3 342.439 2.676 20 10 EFCDHN O=C1C[C@@]2(CN1Cc1cnoc1)CCCC[N@H+]2Cc1ccccc1[O-] ZINC001272619821 1111755821 /nfs/dbraw/zinc/75/58/21/1111755821.db2.gz ZSWJZGZXMWNWSF-LJQANCHMSA-N 0 3 341.411 2.537 20 10 EFCDHN O=C1C[C@@]2(CN1Cc1cnoc1)CCCC[N@@H+]2Cc1ccccc1[O-] ZINC001272619821 1111755825 /nfs/dbraw/zinc/75/58/25/1111755825.db2.gz ZSWJZGZXMWNWSF-LJQANCHMSA-N 0 3 341.411 2.537 20 10 EFCDHN COc1ccc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC(C)C)c([O-])c1 ZINC001272626090 1111767473 /nfs/dbraw/zinc/76/74/73/1111767473.db2.gz SJUGIXUFASNNDN-IAGOWNOFSA-N 0 3 332.444 2.622 20 10 EFCDHN COc1ccc(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC(C)C)c([O-])c1 ZINC001272626090 1111767477 /nfs/dbraw/zinc/76/74/77/1111767477.db2.gz SJUGIXUFASNNDN-IAGOWNOFSA-N 0 3 332.444 2.622 20 10 EFCDHN COc1ccc(O)c(CN2CCC[C@]23CCN(CC=C(C)C)C3=O)c1 ZINC001272637242 1111786225 /nfs/dbraw/zinc/78/62/25/1111786225.db2.gz KRESPNVWGWXWFW-HXUWFJFHSA-N 0 3 344.455 2.934 20 10 EFCDHN COc1ccc(O)c(CN2CCC[C@]23CCN(C2CCCC2)C3=O)c1 ZINC001272637220 1111786729 /nfs/dbraw/zinc/78/67/29/1111786729.db2.gz KIUNERHAVDHNFH-HXUWFJFHSA-N 0 3 344.455 2.910 20 10 EFCDHN Cc1cc(CN(C2CC2)[C@@H]2CC[NH2+]C2)c([O-])cc1Br ZINC001236532636 1112960431 /nfs/dbraw/zinc/96/04/31/1112960431.db2.gz DOHGFIXCMDPUFG-CYBMUJFWSA-N 0 3 325.250 2.789 20 10 EFCDHN COc1cc(C[N@H+](C)[C@H]2CCCOC2)c([O-])cc1Br ZINC001236751630 1117904217 /nfs/dbraw/zinc/90/42/17/1117904217.db2.gz UWFOFKUFGZMCAI-NSHDSACASA-N 0 3 330.222 2.774 20 10 EFCDHN COc1cc(C[N@@H+](C)[C@H]2CCCOC2)c([O-])cc1Br ZINC001236751630 1117904219 /nfs/dbraw/zinc/90/42/19/1117904219.db2.gz UWFOFKUFGZMCAI-NSHDSACASA-N 0 3 330.222 2.774 20 10 EFCDHN Cc1cc([O-])c(C[N@H+]2CC[C@@H](O)[C@H](F)CC2)cc1Br ZINC001237676139 1118790065 /nfs/dbraw/zinc/79/00/65/1118790065.db2.gz GGAWOHAZVFHNRR-CHWSQXEVSA-N 0 3 332.213 2.758 20 10 EFCDHN Cc1cc(O)c(CN2CC[C@@H](O)[C@H](F)CC2)cc1Br ZINC001237676139 1118790059 /nfs/dbraw/zinc/79/00/59/1118790059.db2.gz GGAWOHAZVFHNRR-CHWSQXEVSA-N 0 3 332.213 2.758 20 10 EFCDHN Cc1cc([O-])c(C[N@@H+]2CC[C@@H](O)[C@H](F)CC2)cc1Br ZINC001237676139 1118790063 /nfs/dbraw/zinc/79/00/63/1118790063.db2.gz GGAWOHAZVFHNRR-CHWSQXEVSA-N 0 3 332.213 2.758 20 10 EFCDHN Cc1ccc(C(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c([O-])c1O ZINC000177677657 239388005 /nfs/dbraw/zinc/38/80/05/239388005.db2.gz OVAYJKKNCAKXTL-MRXNPFEDSA-N 0 3 346.471 2.990 20 10 EFCDHN O=C1C[C@@H](C[NH2+]Cc2cc(F)ccc2[O-])CN1Cc1ccccc1 ZINC000180896340 239504682 /nfs/dbraw/zinc/50/46/82/239504682.db2.gz LTTPHJHZZRLWDG-HNNXBMFYSA-N 0 3 328.387 2.670 20 10 EFCDHN O=C(c1cccc(O)c1[O-])N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000193145501 240088601 /nfs/dbraw/zinc/08/86/01/240088601.db2.gz JZTQUUYHTDAJKA-UHFFFAOYSA-N 0 3 332.444 2.826 20 10 EFCDHN Cc1ccc(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c([O-])c1O ZINC000194737071 240175238 /nfs/dbraw/zinc/17/52/38/240175238.db2.gz AEYXQRPATUUEGL-INIZCTEOSA-N 0 3 340.423 2.658 20 10 EFCDHN Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c([O-])c1O ZINC000194737071 240175244 /nfs/dbraw/zinc/17/52/44/240175244.db2.gz AEYXQRPATUUEGL-INIZCTEOSA-N 0 3 340.423 2.658 20 10 EFCDHN [O-]c1cc2c(cc1C[NH2+]C[C@@H](c1ccco1)N1CCCC1)OCO2 ZINC000238130236 240251011 /nfs/dbraw/zinc/25/10/11/240251011.db2.gz SZMOTXYWMQZLNK-AWEZNQCLSA-N 0 3 330.384 2.641 20 10 EFCDHN [O-]c1cc2c(cc1C[NH2+]CCCn1cnc3ccccc31)OCO2 ZINC000238126853 240250635 /nfs/dbraw/zinc/25/06/35/240250635.db2.gz ISHGPCSHWZDIMO-UHFFFAOYSA-N 0 3 325.368 2.651 20 10 EFCDHN [O-]c1c(Br)cccc1CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252667241 240308525 /nfs/dbraw/zinc/30/85/25/240308525.db2.gz HKDGIJYNKBDKLU-STQMWFEESA-N 0 3 325.250 2.871 20 10 EFCDHN [O-]c1c(Br)cccc1CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252667241 240308533 /nfs/dbraw/zinc/30/85/33/240308533.db2.gz HKDGIJYNKBDKLU-STQMWFEESA-N 0 3 325.250 2.871 20 10 EFCDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000246427858 240267787 /nfs/dbraw/zinc/26/77/87/240267787.db2.gz WESNORQJALDELC-CRAIPNDOSA-N 0 3 344.503 2.551 20 10 EFCDHN [O-]c1ccc(Br)cc1C[NH2+][C@@H]1CCN2CCCC[C@H]12 ZINC000263724828 240389361 /nfs/dbraw/zinc/38/93/61/240389361.db2.gz WXMSVDHVYPTOFA-ZIAGYGMSSA-N 0 3 325.250 2.871 20 10 EFCDHN CCCOc1ccc(C[NH2+][C@@H](CO)C[C@H](O)c2ccccc2)c([O-])c1 ZINC000269914018 240580061 /nfs/dbraw/zinc/58/00/61/240580061.db2.gz IXHKLLVJKQYZLN-MJGOQNOKSA-N 0 3 345.439 2.755 20 10 EFCDHN C[C@@H](NCc1cc2c(cc1O)OCO2)c1ccc([S@@](C)=O)cc1 ZINC000270072306 240585562 /nfs/dbraw/zinc/58/55/62/240585562.db2.gz IDYLCTOKMKSJQC-QVQLBTGDSA-N 0 3 333.409 2.709 20 10 EFCDHN COc1ccc(C[C@](C)(O)C[NH2+]Cc2cc(F)ccc2[O-])cc1OC ZINC000290905533 241021007 /nfs/dbraw/zinc/02/10/07/241021007.db2.gz MNMXGPOHBYVMLF-IBGZPJMESA-N 0 3 349.402 2.632 20 10 EFCDHN O=S(=O)(CCC[NH2+][C@@H]1CCc2cccc([O-])c21)Cc1ccccc1 ZINC000296033911 241072302 /nfs/dbraw/zinc/07/23/02/241072302.db2.gz QHTXJGRNQNIYDP-QGZVFWFLSA-N 0 3 345.464 2.974 20 10 EFCDHN CN(Cc1cccs1)c1ccc(CNCC(=O)NC2CC2)cc1 ZINC000296682918 241094637 /nfs/dbraw/zinc/09/46/37/241094637.db2.gz INFFTLVSEVXISQ-UHFFFAOYSA-N 0 3 329.469 2.753 20 10 EFCDHN O=C(NCC[NH2+][C@@H]1CCc2cccc([O-])c21)c1c(F)cccc1F ZINC000296659160 241095080 /nfs/dbraw/zinc/09/50/80/241095080.db2.gz FBYHUZAWRDMOCO-CQSZACIVSA-N 0 3 332.350 2.677 20 10 EFCDHN CN(Cc1cccs1)c1ccc(CN2CC(CC(N)=O)C2)cc1 ZINC000297286045 241118304 /nfs/dbraw/zinc/11/83/04/241118304.db2.gz AJVQXTRDAAJUOK-UHFFFAOYSA-N 0 3 329.469 2.692 20 10 EFCDHN COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)N2Cc2ccc(N(C)C)c(C)c2)O1 ZINC000294307826 241041272 /nfs/dbraw/zinc/04/12/72/241041272.db2.gz XHAHCNZEMULSNW-AXUOBQJMSA-N 0 3 346.471 2.744 20 10 EFCDHN C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3CCc4cccc([O-])c43)cn2)CCO1 ZINC000295872365 241065359 /nfs/dbraw/zinc/06/53/59/241065359.db2.gz HEXMUFRCAIYTOG-RHSMWYFYSA-N 0 3 339.439 2.789 20 10 EFCDHN CCN(CC(=O)NCc1ccc(N(C)C)cc1)[C@@H]1CCOC(C)(C)C1 ZINC000298692776 241155659 /nfs/dbraw/zinc/15/56/59/241155659.db2.gz ZOARWDZQIQIWLR-GOSISDBHSA-N 0 3 347.503 2.648 20 10 EFCDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCc3c2cnn3CCO)c([O-])c1C ZINC000363860431 242283423 /nfs/dbraw/zinc/28/34/23/242283423.db2.gz URJSCYDVROZVIR-RHSMWYFYSA-N 0 3 329.444 2.926 20 10 EFCDHN Cc1ccc([C@@H](C)N[C@@H]2CCCc3c2cnn3CCO)c(O)c1C ZINC000363860431 242283432 /nfs/dbraw/zinc/28/34/32/242283432.db2.gz URJSCYDVROZVIR-RHSMWYFYSA-N 0 3 329.444 2.926 20 10 EFCDHN Cc1ccc([C@@H](C)[NH2+][C@H]2CCCc3c2cnn3CCO)c([O-])c1C ZINC000363860429 242284426 /nfs/dbraw/zinc/28/44/26/242284426.db2.gz URJSCYDVROZVIR-PBHICJAKSA-N 0 3 329.444 2.926 20 10 EFCDHN Cc1ccc([C@@H](C)N[C@H]2CCCc3c2cnn3CCO)c(O)c1C ZINC000363860429 242284431 /nfs/dbraw/zinc/28/44/31/242284431.db2.gz URJSCYDVROZVIR-PBHICJAKSA-N 0 3 329.444 2.926 20 10 EFCDHN COc1cc(Br)cc(CN2CCC[C@@](C)(O)CC2)c1O ZINC000366245982 242347514 /nfs/dbraw/zinc/34/75/14/242347514.db2.gz ITXSUOULBHVUCY-OAHLLOKOSA-N 0 3 344.249 2.900 20 10 EFCDHN COc1cccc(C[N@@H+]2CC[C@](CO)(Cc3ccc(F)cc3)C2)c1[O-] ZINC000367684550 242387480 /nfs/dbraw/zinc/38/74/80/242387480.db2.gz IGDVXKORIRVCKX-FQEVSTJZSA-N 0 3 345.414 2.967 20 10 EFCDHN COc1cccc(C[N@H+]2CC[C@](CO)(Cc3ccc(F)cc3)C2)c1[O-] ZINC000367684550 242387485 /nfs/dbraw/zinc/38/74/85/242387485.db2.gz IGDVXKORIRVCKX-FQEVSTJZSA-N 0 3 345.414 2.967 20 10 EFCDHN COc1cccc(C[N@@H+]2CC[C@@](CO)(Cc3ccc(F)cc3)C2)c1[O-] ZINC000367684552 242388751 /nfs/dbraw/zinc/38/87/51/242388751.db2.gz IGDVXKORIRVCKX-HXUWFJFHSA-N 0 3 345.414 2.967 20 10 EFCDHN COc1cccc(C[N@H+]2CC[C@@](CO)(Cc3ccc(F)cc3)C2)c1[O-] ZINC000367684552 242388759 /nfs/dbraw/zinc/38/87/59/242388759.db2.gz IGDVXKORIRVCKX-HXUWFJFHSA-N 0 3 345.414 2.967 20 10 EFCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000367842023 242394800 /nfs/dbraw/zinc/39/48/00/242394800.db2.gz WLQVVSAJJUNKIN-BWTSREIZSA-N 0 3 325.408 2.641 20 10 EFCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000367842023 242394805 /nfs/dbraw/zinc/39/48/05/242394805.db2.gz WLQVVSAJJUNKIN-BWTSREIZSA-N 0 3 325.408 2.641 20 10 EFCDHN C[C@@H]([NH2+]CCCN1CCC(O)CC1)c1cc2c(cc1[O-])CCCC2 ZINC000185116304 296122587 /nfs/dbraw/zinc/12/25/87/296122587.db2.gz NXLDKQILWABFAN-OAHLLOKOSA-N 0 3 332.488 2.768 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=O)c2cccc(F)c2)N(C)C)cc1 ZINC000005097720 210389864 /nfs/dbraw/zinc/38/98/64/210389864.db2.gz AVRODSLYSRIMAQ-GOSISDBHSA-N 0 3 329.419 2.924 20 10 EFCDHN CCN1CCCC[C@@H]1CNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000126929131 544627809 /nfs/dbraw/zinc/62/78/09/544627809.db2.gz RKIWLTLROJCYND-LJQANCHMSA-N 0 3 342.487 2.736 20 10 EFCDHN Cc1cc(Cl)cc(C[NH2+][C@@]2(CO)COc3ccccc3C2)c1[O-] ZINC000529642172 316937551 /nfs/dbraw/zinc/93/75/51/316937551.db2.gz GBPIUBUXBAFKGT-SFHVURJKSA-N 0 3 333.815 2.810 20 10 EFCDHN CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1cccc(OC)c1[O-] ZINC000190426279 473269452 /nfs/dbraw/zinc/26/94/52/473269452.db2.gz QEYFAHGAYSLWTQ-YOEHRIQHSA-N 0 3 331.416 2.627 20 10 EFCDHN COc1ccc([O-])c([C@H](C)[NH2+]CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)c1 ZINC000184912653 473271773 /nfs/dbraw/zinc/27/17/73/473271773.db2.gz MMNMIDDRBBPZII-KFWWJZLASA-N 0 3 336.476 2.939 20 10 EFCDHN C[C@H]([NH2+]Cc1ccc(N2CCN(C)CC2)nc1)c1cc(F)ccc1[O-] ZINC000184969149 473287891 /nfs/dbraw/zinc/28/78/91/473287891.db2.gz FDGPWYDSMWHFOV-AWEZNQCLSA-N 0 3 344.434 2.529 20 10 EFCDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@@]2(N3CCOCC3)CCSC2)c1 ZINC000185140618 473340420 /nfs/dbraw/zinc/34/04/20/473340420.db2.gz HIADCLPWKMNVJM-YJBOKZPZSA-N 0 3 336.501 2.559 20 10 EFCDHN Cc1ccc([C@@H](C)[NH2+]C[C@]2(N3CCOCC3)CCSC2)c([O-])c1 ZINC000185141068 473341217 /nfs/dbraw/zinc/34/12/17/473341217.db2.gz DCYREARORHVXGU-CRAIPNDOSA-N 0 3 336.501 2.559 20 10 EFCDHN COc1ccc(O)c([C@H](C)N[C@H]2CC(=O)N(c3ccccc3)C2)c1 ZINC000185164352 473348257 /nfs/dbraw/zinc/34/82/57/473348257.db2.gz LHUSUFSQHUVJQB-KBPBESRZSA-N 0 3 326.396 2.857 20 10 EFCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H]2CC(=O)N(c3ccccc3)C2)c1 ZINC000185164352 473348264 /nfs/dbraw/zinc/34/82/64/473348264.db2.gz LHUSUFSQHUVJQB-KBPBESRZSA-N 0 3 326.396 2.857 20 10 EFCDHN COc1ccc(CNC(=O)C[NH2+][C@@H](C)c2ccc(C)cc2[O-])cc1 ZINC000185181228 473354043 /nfs/dbraw/zinc/35/40/43/473354043.db2.gz DARNXMDMWRXSKL-AWEZNQCLSA-N 0 3 328.412 2.676 20 10 EFCDHN CC[C@H]([NH2+]C[C@]1(N2CCOCC2)CCSC1)c1ccccc1[O-] ZINC000185209673 473363272 /nfs/dbraw/zinc/36/32/72/473363272.db2.gz LRRAEXLTJGZUST-FUHWJXTLSA-N 0 3 336.501 2.641 20 10 EFCDHN C[C@H]([NH2+]Cc1cccc(CS(C)(=O)=O)c1)c1cc(F)ccc1[O-] ZINC000185263766 473380349 /nfs/dbraw/zinc/38/03/49/473380349.db2.gz ODHNQMVSENMXPM-LBPRGKRZSA-N 0 3 337.416 2.927 20 10 EFCDHN Cn1cncc1C[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000113359169 473387233 /nfs/dbraw/zinc/38/72/33/473387233.db2.gz HFAAWEGINJYSEC-OAHLLOKOSA-N 0 3 334.851 2.533 20 10 EFCDHN CNS(=O)(=O)c1cccc([C@@H](C)NCc2ccc(N(C)C)cc2)c1 ZINC000067010462 471981953 /nfs/dbraw/zinc/98/19/53/471981953.db2.gz BYUQGDVHFZAGMF-CQSZACIVSA-N 0 3 347.484 2.512 20 10 EFCDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000085400857 472243064 /nfs/dbraw/zinc/24/30/64/472243064.db2.gz WESNORQJALDELC-YJBOKZPZSA-N 0 3 344.503 2.551 20 10 EFCDHN CCC[N@H+](Cc1ccccc1[O-])[C@@H]1CCCN(c2cnn(C)c2)C1=O ZINC000076074151 472261778 /nfs/dbraw/zinc/26/17/78/472261778.db2.gz KGQWHNJAXABYID-QGZVFWFLSA-N 0 3 342.443 2.533 20 10 EFCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@@H]1CCCN(c2cnn(C)c2)C1=O ZINC000076074151 472261786 /nfs/dbraw/zinc/26/17/86/472261786.db2.gz KGQWHNJAXABYID-QGZVFWFLSA-N 0 3 342.443 2.533 20 10 EFCDHN CN(Cc1ccc(N2CCOCC2)cc1)C[C@H](O)c1cccc(F)c1 ZINC000069518825 472361959 /nfs/dbraw/zinc/36/19/59/472361959.db2.gz MOQYVRCDXCRTDK-FQEVSTJZSA-N 0 3 344.430 2.828 20 10 EFCDHN CN(Cc1ccc(N2CCOCC2)cc1)C[C@@H](O)c1ccccc1F ZINC000076549229 472365863 /nfs/dbraw/zinc/36/58/63/472365863.db2.gz LQRAHAQTIRYEIG-HXUWFJFHSA-N 0 3 344.430 2.828 20 10 EFCDHN CN(C)c1ccc(CNC(=O)NC[C@@H](c2ccccc2)N(C)C)cc1 ZINC000031726726 472390219 /nfs/dbraw/zinc/39/02/19/472390219.db2.gz NZILPBDNKBNYBX-IBGZPJMESA-N 0 3 340.471 2.855 20 10 EFCDHN CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000154158413 472396419 /nfs/dbraw/zinc/39/64/19/472396419.db2.gz RIIZTITVZZQTHJ-QWHCGFSZSA-N 0 3 334.441 2.712 20 10 EFCDHN COc1cccc(CN2CCC[C@H](NC(=O)OC(C)(C)C)C2)c1O ZINC000154900063 472484245 /nfs/dbraw/zinc/48/42/45/472484245.db2.gz HZKWWHSZDZCXDE-AWEZNQCLSA-N 0 3 336.432 2.890 20 10 EFCDHN C[C@H]([NH2+]CCCNC(=O)c1cccc([O-])c1)c1ccc(N(C)C)cc1 ZINC000155044460 472501104 /nfs/dbraw/zinc/50/11/04/472501104.db2.gz LYHQSLGFIZZLCS-HNNXBMFYSA-N 0 3 341.455 2.929 20 10 EFCDHN CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H](Cc3nccn3C)C2)c1[O-] ZINC000090003494 472579375 /nfs/dbraw/zinc/57/93/75/472579375.db2.gz ZHXLMYMVHSHJNH-AWEZNQCLSA-N 0 3 345.418 2.922 20 10 EFCDHN CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H](Cc3nccn3C)C2)c1[O-] ZINC000090003494 472579377 /nfs/dbraw/zinc/57/93/77/472579377.db2.gz ZHXLMYMVHSHJNH-AWEZNQCLSA-N 0 3 345.418 2.922 20 10 EFCDHN CN(C)c1ccc(CN2CCC[C@H](c3nnc4n3CCC4)C2)cc1F ZINC000119836455 472588949 /nfs/dbraw/zinc/58/89/49/472588949.db2.gz ANOBHWWUYFVNHB-HNNXBMFYSA-N 0 3 343.450 2.809 20 10 EFCDHN CCO[C@H]1C[C@H](O)C12CCN(Cc1ccc(N(C)C)c(F)c1)CC2 ZINC000130231934 472592397 /nfs/dbraw/zinc/59/23/97/472592397.db2.gz SFKYQHQHPNJOHU-ROUUACIJSA-N 0 3 336.451 2.644 20 10 EFCDHN C[C@@H]1OCC[C@@H]1NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000120285224 472662770 /nfs/dbraw/zinc/66/27/70/472662770.db2.gz OOFMILCUIAWKIZ-LRDDRELGSA-N 0 3 344.377 2.809 20 10 EFCDHN COc1cc(CN[C@H](C)c2ccc(N3CCOCC3)cc2)ccn1 ZINC000131674475 472685805 /nfs/dbraw/zinc/68/58/05/472685805.db2.gz IFRYMHJFWNCWDK-OAHLLOKOSA-N 0 3 327.428 2.778 20 10 EFCDHN CN(C)c1ccc(CN(C)C(=O)CN[C@@H]2CC(C)(C)OC2(C)C)cc1 ZINC000132606748 472744157 /nfs/dbraw/zinc/74/41/57/472744157.db2.gz XYGCVSFXUNQGTN-QGZVFWFLSA-N 0 3 347.503 2.647 20 10 EFCDHN COc1ccc(CNCc2ccc(S(=O)(=O)N(C)C)cc2)cc1C ZINC000047771260 472764609 /nfs/dbraw/zinc/76/46/09/472764609.db2.gz VTOKFLKWVQSFNN-UHFFFAOYSA-N 0 3 348.468 2.544 20 10 EFCDHN COc1cccc(CNC(=O)NC[C@H](c2ccccc2)N(C)C)c1O ZINC000073440819 472812241 /nfs/dbraw/zinc/81/22/41/472812241.db2.gz HBRZMRORJKABHK-MRXNPFEDSA-N 0 3 343.427 2.503 20 10 EFCDHN Cc1noc([C@@H]2CCCN(Cc3ccc(N4CCOCC4)cc3)C2)n1 ZINC000091832624 472813014 /nfs/dbraw/zinc/81/30/14/472813014.db2.gz XXLDYASKMYPRQV-QGZVFWFLSA-N 0 3 342.443 2.594 20 10 EFCDHN CCN(CC)c1ccc(CNC(=O)N2CC[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000073778691 472873934 /nfs/dbraw/zinc/87/39/34/472873934.db2.gz DHZMGTOYHLKTQL-MJGOQNOKSA-N 0 3 344.503 2.911 20 10 EFCDHN CCOc1cccc(CN2CC[C@H](NC(=O)OC(C)(C)C)C2)c1O ZINC000092455350 472916237 /nfs/dbraw/zinc/91/62/37/472916237.db2.gz GZXXVEOGBJPVEI-AWEZNQCLSA-N 0 3 336.432 2.890 20 10 EFCDHN C[C@@H](CNC(=O)NCc1c(O)ccc2c1CCCC2)N(C)C1CC1 ZINC000074100709 472941606 /nfs/dbraw/zinc/94/16/06/472941606.db2.gz NAACSPCXPQHHPR-ZDUSSCGKSA-N 0 3 331.460 2.553 20 10 EFCDHN CCCO[C@@H]1CCCN(CC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000108394528 473024657 /nfs/dbraw/zinc/02/46/57/473024657.db2.gz GIKYWNODGMZBON-LJQANCHMSA-N 0 3 347.503 2.650 20 10 EFCDHN CN1CCC(C[N@H+](C)Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000093088843 473041352 /nfs/dbraw/zinc/04/13/52/473041352.db2.gz NDVXTNISJVSYNQ-UHFFFAOYSA-N 0 3 327.812 2.727 20 10 EFCDHN CN1CCC(C[N@@H+](C)Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000093088843 473041358 /nfs/dbraw/zinc/04/13/58/473041358.db2.gz NDVXTNISJVSYNQ-UHFFFAOYSA-N 0 3 327.812 2.727 20 10 EFCDHN CCOc1ccc([O-])c(C[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)c1 ZINC000093134427 473048509 /nfs/dbraw/zinc/04/85/09/473048509.db2.gz YRFGLPLMWNEILK-AWEZNQCLSA-N 0 3 342.443 2.708 20 10 EFCDHN CCOc1ccc([O-])c(C[N@H+]2CCC[C@H](c3nnc4n3CCC4)C2)c1 ZINC000093134427 473048515 /nfs/dbraw/zinc/04/85/15/473048515.db2.gz YRFGLPLMWNEILK-AWEZNQCLSA-N 0 3 342.443 2.708 20 10 EFCDHN CN(Cc1ccc(N2CCOCC2)cc1)C[C@@H](O)c1ccc(F)cc1 ZINC000066350631 473078961 /nfs/dbraw/zinc/07/89/61/473078961.db2.gz OYLUYOTUFNQXBP-HXUWFJFHSA-N 0 3 344.430 2.828 20 10 EFCDHN CN(C)c1ccc(CN2CCC(CN3CCCCC3=O)CC2)cc1 ZINC000093531976 473115884 /nfs/dbraw/zinc/11/58/84/473115884.db2.gz CXXBAOWXXSKGEL-UHFFFAOYSA-N 0 3 329.488 2.977 20 10 EFCDHN NC(=O)c1ccc(C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)cc1 ZINC000109761907 473120263 /nfs/dbraw/zinc/12/02/63/473120263.db2.gz GKBLMTGUCYYVGL-SFHVURJKSA-N 0 3 340.423 2.672 20 10 EFCDHN NC(=O)c1ccc(C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)cc1 ZINC000109761907 473120270 /nfs/dbraw/zinc/12/02/70/473120270.db2.gz GKBLMTGUCYYVGL-SFHVURJKSA-N 0 3 340.423 2.672 20 10 EFCDHN CCOc1cccc(C[N@H+](C)CC(C)(C)CN2CCOCC2)c1[O-] ZINC000093769613 473143000 /nfs/dbraw/zinc/14/30/00/473143000.db2.gz BIIKKPAVOOLTPZ-UHFFFAOYSA-N 0 3 336.476 2.581 20 10 EFCDHN CCOc1cccc(C[N@@H+](C)CC(C)(C)CN2CCOCC2)c1[O-] ZINC000093769613 473143005 /nfs/dbraw/zinc/14/30/05/473143005.db2.gz BIIKKPAVOOLTPZ-UHFFFAOYSA-N 0 3 336.476 2.581 20 10 EFCDHN c1cc(N2CCCCC2)ccc1CN1CCN(C[C@@H]2CCOC2)CC1 ZINC000093817390 473148962 /nfs/dbraw/zinc/14/89/62/473148962.db2.gz JDHFAEYXVIYXEH-FQEVSTJZSA-N 0 3 343.515 2.831 20 10 EFCDHN CCN(CC)C(=O)C1([NH2+]Cc2cc3c(cc2[O-])OCO3)CCCCC1 ZINC000123607115 473163660 /nfs/dbraw/zinc/16/36/60/473163660.db2.gz FCENCOVCNLXJCH-UHFFFAOYSA-N 0 3 348.443 2.782 20 10 EFCDHN Cc1nn(C)c(C)c1CN(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000111233026 473197973 /nfs/dbraw/zinc/19/79/73/473197973.db2.gz VPZXCNJLNKVCGB-QGZVFWFLSA-N 0 3 329.444 2.924 20 10 EFCDHN CCOc1ccc(OC[C@@H](O)C[N@H+](C)Cc2ccccc2[O-])cc1 ZINC000111236021 473198408 /nfs/dbraw/zinc/19/84/08/473198408.db2.gz UUKIDLKHICFNQS-INIZCTEOSA-N 0 3 331.412 2.663 20 10 EFCDHN CCOc1ccc(OC[C@@H](O)C[N@@H+](C)Cc2ccccc2[O-])cc1 ZINC000111236021 473198410 /nfs/dbraw/zinc/19/84/10/473198410.db2.gz UUKIDLKHICFNQS-INIZCTEOSA-N 0 3 331.412 2.663 20 10 EFCDHN Cc1cc(C(=O)N(C)[C@@H]2CCCN(C)C2)c(C)n1-c1ccccn1 ZINC000151103349 473408883 /nfs/dbraw/zinc/40/88/83/473408883.db2.gz KKAQWPPRHRKQIM-MRXNPFEDSA-N 0 3 326.444 2.655 20 10 EFCDHN Cc1cc(C(=O)N(C)[C@H]2CCCN(C)C2)c(C)n1-c1ccccn1 ZINC000151103395 473409444 /nfs/dbraw/zinc/40/94/44/473409444.db2.gz KKAQWPPRHRKQIM-INIZCTEOSA-N 0 3 326.444 2.655 20 10 EFCDHN COc1ccc([O-])c(C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC000126599684 473530061 /nfs/dbraw/zinc/53/00/61/473530061.db2.gz MEDIARVSRPCBEW-CQSZACIVSA-N 0 3 336.432 2.890 20 10 EFCDHN Cc1ccc([O-])c(C[NH2+]Cc2ccc(N3CCCS3(=O)=O)cc2)c1 ZINC000185852751 473531375 /nfs/dbraw/zinc/53/13/75/473531375.db2.gz QPBLAGOXULGFPT-UHFFFAOYSA-N 0 3 346.452 2.530 20 10 EFCDHN Cc1nn(C)cc1[C@H](C)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000178665436 473543370 /nfs/dbraw/zinc/54/33/70/473543370.db2.gz AZVATVRXYWYJFD-CABCVRRESA-N 0 3 328.460 2.977 20 10 EFCDHN COc1ccc(C(=O)NCC[NH2+][C@H](C)c2cc(F)ccc2[O-])cc1 ZINC000185953483 473557693 /nfs/dbraw/zinc/55/76/93/473557693.db2.gz UNMOAQVSCJWPNF-GFCCVEGCSA-N 0 3 332.375 2.621 20 10 EFCDHN CC[C@H]([NH2+]Cc1cccnc1N1CCOCC1)c1ccccc1[O-] ZINC000170599625 473560391 /nfs/dbraw/zinc/56/03/91/473560391.db2.gz PDZGBZPOZDNHLT-KRWDZBQOSA-N 0 3 327.428 2.865 20 10 EFCDHN COC(=O)COc1cccc(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])c1 ZINC000186049795 473579722 /nfs/dbraw/zinc/57/97/22/473579722.db2.gz ICTNXXUSOBWJCD-LBPRGKRZSA-N 0 3 333.359 2.934 20 10 EFCDHN C[C@@H](C(=O)N1CCOc2cc(N(C)C)ccc21)[C@@H](N)c1ccccc1 ZINC000178863284 473580833 /nfs/dbraw/zinc/58/08/33/473580833.db2.gz ZZDUFMDUFICLPV-AUUYWEPGSA-N 0 3 339.439 2.814 20 10 EFCDHN [O-]c1ccc(Cl)cc1CN1CCC[C@H]([NH2+]CC2=CCCOC2)C1 ZINC000127292306 473596431 /nfs/dbraw/zinc/59/64/31/473596431.db2.gz KTPAIDJQWVUDML-KRWDZBQOSA-N 0 3 336.863 2.946 20 10 EFCDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@H]2CCCN(CC(F)(F)F)C2=O)c1 ZINC000186144172 473599514 /nfs/dbraw/zinc/59/95/14/473599514.db2.gz VVHBUHCVHKACNX-YPMHNXCESA-N 0 3 330.350 2.905 20 10 EFCDHN Cc1ccc(O)c([C@@H](C)N[C@H]2CCCN(CC(F)(F)F)C2=O)c1 ZINC000186144172 473599520 /nfs/dbraw/zinc/59/95/20/473599520.db2.gz VVHBUHCVHKACNX-YPMHNXCESA-N 0 3 330.350 2.905 20 10 EFCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCCN(CC(F)(F)F)C2=O)c([O-])c1 ZINC000186144469 473599746 /nfs/dbraw/zinc/59/97/46/473599746.db2.gz JEMFGOBVJARRPF-AAEUAGOBSA-N 0 3 330.350 2.905 20 10 EFCDHN CN(C[C@H]1CCCN(C)C1)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000115813653 473606197 /nfs/dbraw/zinc/60/61/97/473606197.db2.gz SYEFLQUYGMFXDJ-KRWDZBQOSA-N 0 3 344.503 2.552 20 10 EFCDHN CCCCNC(=O)C1CC[NH+](Cc2cc(OCC)ccc2[O-])CC1 ZINC000179331476 473674802 /nfs/dbraw/zinc/67/48/02/473674802.db2.gz ZSQADFUJXNACAR-UHFFFAOYSA-N 0 3 334.460 2.919 20 10 EFCDHN O=C(c1ccccc1F)N1CCCN(Cc2ccccc2O)CC1 ZINC000179556461 473694581 /nfs/dbraw/zinc/69/45/81/473694581.db2.gz WWBXKZMKGLJJHL-UHFFFAOYSA-N 0 3 328.387 2.879 20 10 EFCDHN Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3[O-])C2)nc1 ZINC000179559353 473695278 /nfs/dbraw/zinc/69/52/78/473695278.db2.gz AJOINSKTDNWNOD-MRXNPFEDSA-N 0 3 325.412 2.946 20 10 EFCDHN Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3[O-])C2)nc1 ZINC000179559353 473695280 /nfs/dbraw/zinc/69/52/80/473695280.db2.gz AJOINSKTDNWNOD-MRXNPFEDSA-N 0 3 325.412 2.946 20 10 EFCDHN Nc1ccc(CCNC(=O)C2CCN(Cc3ccccc3)CC2)cc1 ZINC000269145999 473709013 /nfs/dbraw/zinc/70/90/13/473709013.db2.gz DOKDUBQHQPRWJP-UHFFFAOYSA-N 0 3 337.467 2.840 20 10 EFCDHN CCOc1cccc(CN(C)Cc2ccc(C(=O)NC)cc2)c1O ZINC000179757678 473719655 /nfs/dbraw/zinc/71/96/55/473719655.db2.gz JNMXGFKIWDVDSQ-UHFFFAOYSA-N 0 3 328.412 2.783 20 10 EFCDHN COc1ccccc1N1CC[C@@H]([NH2+][C@H](C)c2ccccc2[O-])C1=O ZINC000179888740 473749984 /nfs/dbraw/zinc/74/99/84/473749984.db2.gz BUOKMEQQJHDNKB-UKRRQHHQSA-N 0 3 326.396 2.857 20 10 EFCDHN COc1ccc([O-])c(C[N@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)c1 ZINC000193336456 473781593 /nfs/dbraw/zinc/78/15/93/473781593.db2.gz JGYVHOPOMWPFIF-GASCZTMLSA-N 0 3 348.443 2.700 20 10 EFCDHN COc1ccc([O-])c(C[N@@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)c1 ZINC000193336456 473781599 /nfs/dbraw/zinc/78/15/99/473781599.db2.gz JGYVHOPOMWPFIF-GASCZTMLSA-N 0 3 348.443 2.700 20 10 EFCDHN CC(=O)NCCC[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-] ZINC000186962283 473787744 /nfs/dbraw/zinc/78/77/44/473787744.db2.gz OFQSGZKJNXGFDK-SNVBAGLBSA-N 0 3 329.238 2.640 20 10 EFCDHN C[C@@H]1C[C@@H](NC(=O)c2cccc(O)c2[O-])CC[N@@H+]1Cc1ccccc1 ZINC000187171171 473830704 /nfs/dbraw/zinc/83/07/04/473830704.db2.gz JYCLSZKVYNFZMK-ZBFHGGJFSA-N 0 3 340.423 2.881 20 10 EFCDHN C[C@@H]1C[C@@H](NC(=O)c2cccc(O)c2[O-])CC[N@H+]1Cc1ccccc1 ZINC000187171171 473830711 /nfs/dbraw/zinc/83/07/11/473830711.db2.gz JYCLSZKVYNFZMK-ZBFHGGJFSA-N 0 3 340.423 2.881 20 10 EFCDHN COCCOCCOCCC[NH2+]Cc1cc(Cl)cc(C)c1[O-] ZINC000274480423 473843255 /nfs/dbraw/zinc/84/32/55/473843255.db2.gz ZSKOGOCVOVYMSM-UHFFFAOYSA-N 0 3 331.840 2.513 20 10 EFCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@]2(O)CCSC2)c1[O-] ZINC000187276070 473851163 /nfs/dbraw/zinc/85/11/63/473851163.db2.gz ZZEFTLVTCBILMN-QMTHXVAHSA-N 0 3 346.290 2.982 20 10 EFCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CC(C)(C)C(N)=O)c1[O-] ZINC000187417686 473869958 /nfs/dbraw/zinc/86/99/58/473869958.db2.gz YVEFOZTZBJJNDO-SECBINFHSA-N 0 3 329.238 2.625 20 10 EFCDHN COC(=O)COc1ccc(C[N@H+](C)Cc2cccc(C)c2[O-])cc1 ZINC000187436375 473872439 /nfs/dbraw/zinc/87/24/39/473872439.db2.gz CWZBFYVOLHXLAC-UHFFFAOYSA-N 0 3 329.396 2.884 20 10 EFCDHN COC(=O)COc1ccc(C[N@@H+](C)Cc2cccc(C)c2[O-])cc1 ZINC000187436375 473872446 /nfs/dbraw/zinc/87/24/46/473872446.db2.gz CWZBFYVOLHXLAC-UHFFFAOYSA-N 0 3 329.396 2.884 20 10 EFCDHN COC(=O)COc1ccc(CN(C)Cc2cccc(C)c2O)cc1 ZINC000187436375 473872451 /nfs/dbraw/zinc/87/24/51/473872451.db2.gz CWZBFYVOLHXLAC-UHFFFAOYSA-N 0 3 329.396 2.884 20 10 EFCDHN COC(=O)COc1ccc(C[N@H+](C)Cc2cc(C)ccc2[O-])cc1 ZINC000187433269 473872551 /nfs/dbraw/zinc/87/25/51/473872551.db2.gz INENWANNLNBLLP-UHFFFAOYSA-N 0 3 329.396 2.884 20 10 EFCDHN COC(=O)COc1ccc(C[N@@H+](C)Cc2cc(C)ccc2[O-])cc1 ZINC000187433269 473872557 /nfs/dbraw/zinc/87/25/57/473872557.db2.gz INENWANNLNBLLP-UHFFFAOYSA-N 0 3 329.396 2.884 20 10 EFCDHN COC(=O)COc1ccc(CN(C)Cc2cc(C)ccc2O)cc1 ZINC000187433269 473872560 /nfs/dbraw/zinc/87/25/60/473872560.db2.gz INENWANNLNBLLP-UHFFFAOYSA-N 0 3 329.396 2.884 20 10 EFCDHN CN(C)CCN(Cc1ccccc1)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180718809 473949956 /nfs/dbraw/zinc/94/99/56/473949956.db2.gz VFADAJPIMHHDLY-PKNBQFBNSA-N 0 3 340.423 2.701 20 10 EFCDHN COc1cc([O-])c(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)cc1OC ZINC000282192188 473976765 /nfs/dbraw/zinc/97/67/65/473976765.db2.gz KUIPRHSHBUYPKE-UHFFFAOYSA-N 0 3 346.383 2.992 20 10 EFCDHN COc1cc([O-])c(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)cc1OC ZINC000282192188 473976774 /nfs/dbraw/zinc/97/67/74/473976774.db2.gz KUIPRHSHBUYPKE-UHFFFAOYSA-N 0 3 346.383 2.992 20 10 EFCDHN O=C1C[C@H](C[NH2+]Cc2cc(F)ccc2[O-])CN1Cc1ccccc1 ZINC000180896360 473982250 /nfs/dbraw/zinc/98/22/50/473982250.db2.gz LTTPHJHZZRLWDG-OAHLLOKOSA-N 0 3 328.387 2.670 20 10 EFCDHN CCCOc1ccc(CN[C@@]2(CO)CCOc3ccccc32)c(O)c1 ZINC000282247059 473997020 /nfs/dbraw/zinc/99/70/20/473997020.db2.gz GKAFIIHHFUJANA-HXUWFJFHSA-N 0 3 343.423 2.941 20 10 EFCDHN COc1ccc([O-])c(C[NH+]2CCC(c3nnc4n3CCCC4)CC2)c1 ZINC000274947657 474024803 /nfs/dbraw/zinc/02/48/03/474024803.db2.gz RSVXQXRVLZJFNE-UHFFFAOYSA-N 0 3 342.443 2.708 20 10 EFCDHN CN(C)c1ccc(CNC(=O)N2CC[C@H](N3CCCCC3)C2)cc1 ZINC000264564361 474040358 /nfs/dbraw/zinc/04/03/58/474040358.db2.gz GCXGWNZANDEOIY-SFHVURJKSA-N 0 3 330.476 2.522 20 10 EFCDHN COc1cccc(CN2CCC(Oc3cncc(Cl)n3)CC2)c1O ZINC000275106453 474071930 /nfs/dbraw/zinc/07/19/30/474071930.db2.gz BDEKGYFWZXJRGU-UHFFFAOYSA-N 0 3 349.818 2.888 20 10 EFCDHN Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NCc1ccc(N(C)C)cc1 ZINC000275222287 474109286 /nfs/dbraw/zinc/10/92/86/474109286.db2.gz CCMOATVNSUBDOA-HKUYNNGSSA-N 0 3 328.460 2.723 20 10 EFCDHN Cc1cc(O)c(CNCCS(=O)(=O)CCc2ccccc2)cc1C ZINC000282555192 474109588 /nfs/dbraw/zinc/10/95/88/474109588.db2.gz DFXUKBAPADACGQ-UHFFFAOYSA-N 0 3 347.480 2.756 20 10 EFCDHN CCCC[N@H+](Cc1ccccc1[O-])[C@H](C)C(=O)NCCCOCC ZINC000282573052 474115005 /nfs/dbraw/zinc/11/50/05/474115005.db2.gz ZSROKZNWJKRMCJ-MRXNPFEDSA-N 0 3 336.476 2.926 20 10 EFCDHN CCCC[N@@H+](Cc1ccccc1[O-])[C@H](C)C(=O)NCCCOCC ZINC000282573052 474115010 /nfs/dbraw/zinc/11/50/10/474115010.db2.gz ZSROKZNWJKRMCJ-MRXNPFEDSA-N 0 3 336.476 2.926 20 10 EFCDHN COc1ccc(O)c([C@H](C)N[C@@H](C)C(=O)NCc2ccccc2)c1 ZINC000182342796 474152735 /nfs/dbraw/zinc/15/27/35/474152735.db2.gz CXKKDLYCEDFHKZ-KBPBESRZSA-N 0 3 328.412 2.756 20 10 EFCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@H](O)COc2cccc(C)c2)c1 ZINC000182340201 474152987 /nfs/dbraw/zinc/15/29/87/474152987.db2.gz PDJGEKBXYNJKKO-GJZGRUSLSA-N 0 3 331.412 2.800 20 10 EFCDHN CN(C)c1ccc(CNCc2ccccc2Cn2cncn2)cc1F ZINC000264998070 474163499 /nfs/dbraw/zinc/16/34/99/474163499.db2.gz YWGOCGKLSLCVSO-UHFFFAOYSA-N 0 3 339.418 2.821 20 10 EFCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@H](O)COc2ccc(F)cc2)c1 ZINC000182457588 474181173 /nfs/dbraw/zinc/18/11/73/474181173.db2.gz QYMUBVKWQFIILC-JSGCOSHPSA-N 0 3 335.375 2.630 20 10 EFCDHN C[C@H](NCCOCC(F)F)c1ccc(N2CCOCC2)c(F)c1 ZINC000188741624 474182546 /nfs/dbraw/zinc/18/25/46/474182546.db2.gz YNEWVIYIVUQVQD-LBPRGKRZSA-N 0 3 332.366 2.595 20 10 EFCDHN COc1ccc(O)c(CNC(C)(C)C(=O)NCC2CCCCC2)c1 ZINC000182639749 474223950 /nfs/dbraw/zinc/22/39/50/474223950.db2.gz LYGNUBCMLQPNED-UHFFFAOYSA-N 0 3 334.460 2.966 20 10 EFCDHN CN1C(=O)C[C@H]([NH2+]Cc2ccccc2[O-])[C@@H]1c1ccc(F)c(F)c1 ZINC000270693520 474224571 /nfs/dbraw/zinc/22/45/71/474224571.db2.gz WLLPHYZWDUSRAT-YJBOKZPZSA-N 0 3 332.350 2.732 20 10 EFCDHN COc1ccc(O)c(CN[C@H]2CC(=O)N(c3c(F)cccc3F)C2)c1 ZINC000182679872 474231386 /nfs/dbraw/zinc/23/13/86/474231386.db2.gz HUDOCJSMBMLKHK-LBPRGKRZSA-N 0 3 348.349 2.574 20 10 EFCDHN CCc1ccc([C@@H](O)C[NH2+]Cc2cc(OC)c(OC)cc2[O-])cc1 ZINC000289347265 474231588 /nfs/dbraw/zinc/23/15/88/474231588.db2.gz IQGXUXYDKIQZKW-KRWDZBQOSA-N 0 3 331.412 2.795 20 10 EFCDHN [O-]c1ccc(Br)cc1C[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000227437242 474246527 /nfs/dbraw/zinc/24/65/27/474246527.db2.gz GFUJDVMTBJUZKB-LLVKDONJSA-N 0 3 325.250 2.729 20 10 EFCDHN Cc1ccc(C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c([O-])c1O ZINC000182911631 474285581 /nfs/dbraw/zinc/28/55/81/474285581.db2.gz IGSSNMRWMGROFV-UONOGXRCSA-N 0 3 332.444 2.789 20 10 EFCDHN Cc1ccc(C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c([O-])c1O ZINC000182911631 474285589 /nfs/dbraw/zinc/28/55/89/474285589.db2.gz IGSSNMRWMGROFV-UONOGXRCSA-N 0 3 332.444 2.789 20 10 EFCDHN Cc1ccc(C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c([O-])c1O ZINC000182911667 474286002 /nfs/dbraw/zinc/28/60/02/474286002.db2.gz IGSSNMRWMGROFV-KBPBESRZSA-N 0 3 332.444 2.789 20 10 EFCDHN Cc1ccc(C(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c([O-])c1O ZINC000182911667 474286007 /nfs/dbraw/zinc/28/60/07/474286007.db2.gz IGSSNMRWMGROFV-KBPBESRZSA-N 0 3 332.444 2.789 20 10 EFCDHN COC(=O)COc1ccc(CN(C)Cc2ccc(N(C)C)cc2)cc1 ZINC000182919328 474287456 /nfs/dbraw/zinc/28/74/56/474287456.db2.gz CYNKTPMJGWRTSE-UHFFFAOYSA-N 0 3 342.439 2.936 20 10 EFCDHN CCOc1cccc(C[NH2+][C@H]2CCCO[C@@H]2c2cnn(C)c2)c1[O-] ZINC000275730446 474298152 /nfs/dbraw/zinc/29/81/52/474298152.db2.gz ZUJLHFVJLZVJPU-MAUKXSAKSA-N 0 3 331.416 2.534 20 10 EFCDHN CC[C@@H]([NH2+]CC(=O)NCc1ccc(OC)cc1)c1ccccc1[O-] ZINC000183347004 474374495 /nfs/dbraw/zinc/37/44/95/474374495.db2.gz CLGKEIUQKAEHIG-QGZVFWFLSA-N 0 3 328.412 2.758 20 10 EFCDHN CCOc1cccc(CN2CCCC[C@H]2COC(=O)N(C)C)c1O ZINC000289774700 474420328 /nfs/dbraw/zinc/42/03/28/474420328.db2.gz RKQZRQSHNNKGJV-HNNXBMFYSA-N 0 3 336.432 2.844 20 10 EFCDHN CCOc1cccc(CN2CC[C@@](C(=O)OC)(C(F)(F)F)C2)c1O ZINC000289774849 474420742 /nfs/dbraw/zinc/42/07/42/474420742.db2.gz RLMGHKZQJIRYAW-OAHLLOKOSA-N 0 3 347.333 2.718 20 10 EFCDHN CCOc1cccc(CN2CCCC[C@@H]2COC(=O)N(C)C)c1O ZINC000289774705 474421274 /nfs/dbraw/zinc/42/12/74/474421274.db2.gz RKQZRQSHNNKGJV-OAHLLOKOSA-N 0 3 336.432 2.844 20 10 EFCDHN COc1ccc(C[C@@](C)(O)C[NH2+]Cc2cc(C)ccc2[O-])cc1OC ZINC000289801933 474433898 /nfs/dbraw/zinc/43/38/98/474433898.db2.gz MIEIFYOTLGSTBJ-HXUWFJFHSA-N 0 3 345.439 2.801 20 10 EFCDHN CNC(=O)CC[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(OC)c1[O-] ZINC000289854937 474457400 /nfs/dbraw/zinc/45/74/00/474457400.db2.gz VDKZMFQDUJTFRK-AWEZNQCLSA-N 0 3 340.851 2.935 20 10 EFCDHN CNC(=O)CC[C@@H]1CCCC[N@H+]1Cc1cc(Cl)cc(OC)c1[O-] ZINC000289854937 474457407 /nfs/dbraw/zinc/45/74/07/474457407.db2.gz VDKZMFQDUJTFRK-AWEZNQCLSA-N 0 3 340.851 2.935 20 10 EFCDHN COc1cccc(CN[C@@H]2CCCN(C3CCCCC3)C2=O)c1O ZINC000276250895 474469600 /nfs/dbraw/zinc/46/96/00/474469600.db2.gz WFWCBVNPUPPWEM-MRXNPFEDSA-N 0 3 332.444 2.814 20 10 EFCDHN CN(C)c1ccc(CN2CCC[C@H]([C@@H](O)c3nccn3C)C2)cc1F ZINC000271276146 474471144 /nfs/dbraw/zinc/47/11/44/474471144.db2.gz KZGNQEGQZIGJSU-MAUKXSAKSA-N 0 3 346.450 2.571 20 10 EFCDHN COc1ccc(N2CCN(CCN[C@H](C)c3cccnc3)CC2)cc1 ZINC000271455602 474554078 /nfs/dbraw/zinc/55/40/78/474554078.db2.gz ZOIFHJNKSAAWEQ-QGZVFWFLSA-N 0 3 340.471 2.563 20 10 EFCDHN C[C@H](Cn1cccn1)N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000271460609 474556626 /nfs/dbraw/zinc/55/66/26/474556626.db2.gz JZKFPNLZKQYDMG-CABCVRRESA-N 0 3 332.423 2.598 20 10 EFCDHN C[C@H](Cn1cccn1)N[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000271460614 474557487 /nfs/dbraw/zinc/55/74/87/474557487.db2.gz JZKFPNLZKQYDMG-HUUCEWRRSA-N 0 3 332.423 2.598 20 10 EFCDHN COc1cc(O)c(CN[C@@H](CN(C)C)c2ccc(F)cc2)cc1OC ZINC000290291849 474565579 /nfs/dbraw/zinc/56/55/79/474565579.db2.gz AMFHNWXWLIHGNL-INIZCTEOSA-N 0 3 348.418 2.941 20 10 EFCDHN COc1cc(O)c(CN[C@H](CN(C)C)c2ccc(F)cc2)cc1OC ZINC000290291853 474565835 /nfs/dbraw/zinc/56/58/35/474565835.db2.gz AMFHNWXWLIHGNL-MRXNPFEDSA-N 0 3 348.418 2.941 20 10 EFCDHN [O-]c1ccccc1C[N@@H+](Cc1c[nH]c2nccnc12)C[C@H]1CCCO1 ZINC000290321616 474566178 /nfs/dbraw/zinc/56/61/78/474566178.db2.gz BSOZCUWNHASPNQ-MRXNPFEDSA-N 0 3 338.411 2.845 20 10 EFCDHN [O-]c1ccccc1C[N@H+](Cc1c[nH]c2nccnc12)C[C@H]1CCCO1 ZINC000290321616 474566186 /nfs/dbraw/zinc/56/61/86/474566186.db2.gz BSOZCUWNHASPNQ-MRXNPFEDSA-N 0 3 338.411 2.845 20 10 EFCDHN CN(C)c1ccc(CN(CCn2cc([N+](=O)[O-])cn2)C2CC2)cc1 ZINC000267034535 474571425 /nfs/dbraw/zinc/57/14/25/474571425.db2.gz NLUJKIWTHVJKTK-UHFFFAOYSA-N 0 3 329.404 2.522 20 10 EFCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C2CCN(c3cccnn3)CC2)c1 ZINC000277202035 474579916 /nfs/dbraw/zinc/57/99/16/474579916.db2.gz VTSVTOQNWCBENZ-CYBMUJFWSA-N 0 3 328.416 2.510 20 10 EFCDHN COc1cc(Cl)cc(CN2CCC(c3nncn3C)CC2)c1O ZINC000184681311 474581876 /nfs/dbraw/zinc/58/18/76/474581876.db2.gz AIZUJWGBIXPBGZ-UHFFFAOYSA-N 0 3 336.823 2.562 20 10 EFCDHN COc1ccc(O)c(CN2CCN(CCc3cccs3)CC2)c1 ZINC000271751150 474588594 /nfs/dbraw/zinc/58/85/94/474588594.db2.gz VLXCXXRHRINASK-UHFFFAOYSA-N 0 3 332.469 2.823 20 10 EFCDHN COC(=O)c1cc(CNCc2ccc3c(c2)CCCN3C)n(C)c1C ZINC000291015562 474590763 /nfs/dbraw/zinc/59/07/63/474590763.db2.gz AEKLDECOYJUGRV-UHFFFAOYSA-N 0 3 341.455 2.792 20 10 EFCDHN COc1cc(O)c(CN(C)[C@@H](CCO)c2ccccc2)cc1OC ZINC000271795272 474591436 /nfs/dbraw/zinc/59/14/36/474591436.db2.gz JVSYUZCODNFOIE-INIZCTEOSA-N 0 3 331.412 2.965 20 10 EFCDHN COc1cc([O-])c(C[NH2+][C@@H](C)[C@@H](O)c2cccc(F)c2)cc1OC ZINC000271792840 474591911 /nfs/dbraw/zinc/59/19/11/474591911.db2.gz HGDREZATUJMDPW-BBATYDOGSA-N 0 3 335.375 2.760 20 10 EFCDHN COc1cc(O)c(CN(C)Cc2ccc3c(c2)OCO3)cc1OC ZINC000271799023 474593500 /nfs/dbraw/zinc/59/35/00/474593500.db2.gz KVDPNACJFYWNHH-UHFFFAOYSA-N 0 3 331.368 2.770 20 10 EFCDHN CCOc1cccc(CN[C@H]2CC(=O)N(c3ccccc3F)C2)c1O ZINC000291166944 474595936 /nfs/dbraw/zinc/59/59/36/474595936.db2.gz DDZVUNGWCTZZBY-AWEZNQCLSA-N 0 3 344.386 2.825 20 10 EFCDHN COC[C@@]1(C[NH2+]Cc2cccc(C)c2[O-])OCCc2ccccc21 ZINC000291476235 474604615 /nfs/dbraw/zinc/60/46/15/474604615.db2.gz FIFIDPVUNWRWPY-HXUWFJFHSA-N 0 3 327.424 2.905 20 10 EFCDHN CCCN1CCC([N@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2[O-])CC1 ZINC000278272293 474605555 /nfs/dbraw/zinc/60/55/55/474605555.db2.gz RVMSTEYMZHULEV-UHFFFAOYSA-N 0 3 337.420 2.615 20 10 EFCDHN CCCN1CCC([N@@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2[O-])CC1 ZINC000278272293 474605562 /nfs/dbraw/zinc/60/55/62/474605562.db2.gz RVMSTEYMZHULEV-UHFFFAOYSA-N 0 3 337.420 2.615 20 10 EFCDHN CCC[NH+]1CCC(N(C)Cc2ccc([N+](=O)[O-])c(OC)c2[O-])CC1 ZINC000278272293 474605566 /nfs/dbraw/zinc/60/55/66/474605566.db2.gz RVMSTEYMZHULEV-UHFFFAOYSA-N 0 3 337.420 2.615 20 10 EFCDHN Cc1cc(C)c([C@@H](C)[NH2+]C[C@H](C(C)C)N2CCN(C)CC2)c([O-])c1 ZINC000284279397 474608989 /nfs/dbraw/zinc/60/89/89/474608989.db2.gz XHNXNCSDKMMCCQ-QZTJIDSGSA-N 0 3 333.520 2.932 20 10 EFCDHN Cc1cc(C(=O)N2CC[C@H]3CCN(C)C[C@@H]32)c(C)n1-c1ccccn1 ZINC000272481242 474613747 /nfs/dbraw/zinc/61/37/47/474613747.db2.gz MCWFSSSIKCBSJX-AEFFLSMTSA-N 0 3 338.455 2.655 20 10 EFCDHN C[N@@H+]1CC[C@@H]2CCN(Cc3cc(Br)ccc3[O-])[C@H]2C1 ZINC000272551521 474617282 /nfs/dbraw/zinc/61/72/82/474617282.db2.gz DAAGQNIRDMXMCT-RISCZKNCSA-N 0 3 325.250 2.681 20 10 EFCDHN C[N@H+]1CC[C@@H]2CCN(Cc3cc(Br)ccc3[O-])[C@H]2C1 ZINC000272551521 474617287 /nfs/dbraw/zinc/61/72/87/474617287.db2.gz DAAGQNIRDMXMCT-RISCZKNCSA-N 0 3 325.250 2.681 20 10 EFCDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)C1CCN(C2CC2)CC1 ZINC000278357781 474620076 /nfs/dbraw/zinc/62/00/76/474620076.db2.gz APJRXMWPDVKRQT-UHFFFAOYSA-N 0 3 329.488 2.976 20 10 EFCDHN COc1cc([O-])c(C[NH2+]C[C@]2(CO)C[C@@H]2c2ccccc2)cc1OC ZINC000291592397 474626620 /nfs/dbraw/zinc/62/66/20/474626620.db2.gz PZFAKWMNVMQUOZ-UZLBHIALSA-N 0 3 343.423 2.665 20 10 EFCDHN COc1cc([O-])c(C[NH2+]C[C@]2(CO)C[C@H]2c2ccccc2)cc1OC ZINC000291592394 474626678 /nfs/dbraw/zinc/62/66/78/474626678.db2.gz PZFAKWMNVMQUOZ-JXFKEZNVSA-N 0 3 343.423 2.665 20 10 EFCDHN C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1CO)c1ccccc1[O-] ZINC000272819719 474626747 /nfs/dbraw/zinc/62/67/47/474626747.db2.gz FMBRSHZOKMFQPX-HQRMLTQVSA-N 0 3 340.467 2.926 20 10 EFCDHN COCCN(CC[NH2+][C@H](C)c1ccccc1[O-])C(=O)OC(C)(C)C ZINC000272896707 474637288 /nfs/dbraw/zinc/63/72/88/474637288.db2.gz UHGBABSRPGNEGK-CQSZACIVSA-N 0 3 338.448 2.926 20 10 EFCDHN CCOc1ccc(O)c(CN2CCC[C@@H]([C@H](O)C(F)(F)F)C2)c1 ZINC000278424413 474641050 /nfs/dbraw/zinc/64/10/50/474641050.db2.gz SAVZKVDFRJIECH-ABAIWWIYSA-N 0 3 333.350 2.926 20 10 EFCDHN COc1c([O-])c(C[NH2+]Cc2cccc(CN(C)C)c2)ccc1[N+](=O)[O-] ZINC000278551977 474696521 /nfs/dbraw/zinc/69/65/21/474696521.db2.gz ZHYAIXFMTYQBNR-UHFFFAOYSA-N 0 3 345.399 2.660 20 10 EFCDHN COc1c([O-])c(C[NH2+][C@H](CCN(C)C)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000278573681 474713104 /nfs/dbraw/zinc/71/31/04/474713104.db2.gz DEULRVPGGQCSBR-CQSZACIVSA-N 0 3 339.436 2.765 20 10 EFCDHN CCn1cc(CC[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)cn1 ZINC000278578751 474716603 /nfs/dbraw/zinc/71/66/03/474716603.db2.gz JXTXSFICGDDUBR-GOSISDBHSA-N 0 3 329.444 2.832 20 10 EFCDHN CCn1cc(CC[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)cn1 ZINC000278578751 474716611 /nfs/dbraw/zinc/71/66/11/474716611.db2.gz JXTXSFICGDDUBR-GOSISDBHSA-N 0 3 329.444 2.832 20 10 EFCDHN CC[C@H]([NH2+][C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C)c1ccccc1[O-] ZINC000284882724 474812417 /nfs/dbraw/zinc/81/24/17/474812417.db2.gz RDMDDCVWHIGZDV-QMTMVMCOSA-N 0 3 342.443 2.529 20 10 EFCDHN C[C@H]([NH2+][C@H]1CCCN(Cc2ccccn2)C1=O)c1ccccc1[O-] ZINC000273268535 474813178 /nfs/dbraw/zinc/81/31/78/474813178.db2.gz OCCQWDQLUMTPGM-YOEHRIQHSA-N 0 3 325.412 2.629 20 10 EFCDHN C[C@@H]([NH2+][C@@H]1CCCN(Cc2ccccn2)C1=O)c1ccccc1[O-] ZINC000273268527 474814327 /nfs/dbraw/zinc/81/43/27/474814327.db2.gz OCCQWDQLUMTPGM-RHSMWYFYSA-N 0 3 325.412 2.629 20 10 EFCDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000268136294 474818621 /nfs/dbraw/zinc/81/86/21/474818621.db2.gz JNNORTFPJGXLJW-DNVCBOLYSA-N 0 3 344.503 2.767 20 10 EFCDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000268143348 474824210 /nfs/dbraw/zinc/82/42/10/474824210.db2.gz KXZLKAFZKCVQDX-SCLBCKFNSA-N 0 3 343.471 2.553 20 10 EFCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCNC(=O)c2cccc(C)c2)c1 ZINC000273300113 474831339 /nfs/dbraw/zinc/83/13/39/474831339.db2.gz BBTJPFRGZRZPOP-CQSZACIVSA-N 0 3 328.412 2.790 20 10 EFCDHN Cc1cc([O-])c(C[NH2+]C[C@@H](O)CN2CCc3ccccc3C2)cc1C ZINC000293205079 474866648 /nfs/dbraw/zinc/86/66/48/474866648.db2.gz XYMSBTWZSFQBQI-HXUWFJFHSA-N 0 3 340.467 2.518 20 10 EFCDHN Cc1cc(C(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)c(C)n1-c1ccccn1 ZINC000268238820 474880440 /nfs/dbraw/zinc/88/04/40/474880440.db2.gz OKPOERWMBFJJGH-UGSOOPFHSA-N 0 3 338.455 2.702 20 10 EFCDHN COc1ccc([O-])c([C@@H](C)[NH2+]Cc2ccccc2Cn2cncn2)c1 ZINC000273414960 474886224 /nfs/dbraw/zinc/88/62/24/474886224.db2.gz QRQCNSORUQJMPP-CQSZACIVSA-N 0 3 338.411 2.891 20 10 EFCDHN COc1ccc([O-])c([C@H](C)[NH2+]Cc2ccccc2Cn2cncn2)c1 ZINC000273414957 474886892 /nfs/dbraw/zinc/88/68/92/474886892.db2.gz QRQCNSORUQJMPP-AWEZNQCLSA-N 0 3 338.411 2.891 20 10 EFCDHN Cc1ccc([C@H](C)[NH2+]CCc2ccc(S(N)(=O)=O)cc2)c([O-])c1C ZINC000273438459 474896923 /nfs/dbraw/zinc/89/69/23/474896923.db2.gz XSOKRWZIELRCLB-AWEZNQCLSA-N 0 3 348.468 2.550 20 10 EFCDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCCN(Cc3ccccn3)C2=O)c1 ZINC000273480495 474921985 /nfs/dbraw/zinc/92/19/85/474921985.db2.gz UKNCUMJANNIFRR-CRAIPNDOSA-N 0 3 339.439 2.937 20 10 EFCDHN Cc1ccc(O)c([C@@H](C)N[C@@H]2CCCN(Cc3ccccn3)C2=O)c1 ZINC000273480495 474921994 /nfs/dbraw/zinc/92/19/94/474921994.db2.gz UKNCUMJANNIFRR-CRAIPNDOSA-N 0 3 339.439 2.937 20 10 EFCDHN C[C@@H]1C[C@@H](N2CCOCC2)C[N@@H+]1Cc1c([O-])ccc2ccccc21 ZINC000285266943 474951889 /nfs/dbraw/zinc/95/18/89/474951889.db2.gz YILPVDFBBRBPBO-NVXWUHKLSA-N 0 3 326.440 2.840 20 10 EFCDHN C[C@@H]1C[C@@H](N2CCOCC2)C[N@H+]1Cc1c([O-])ccc2ccccc21 ZINC000285266943 474951894 /nfs/dbraw/zinc/95/18/94/474951894.db2.gz YILPVDFBBRBPBO-NVXWUHKLSA-N 0 3 326.440 2.840 20 10 EFCDHN COc1cc(Cl)cc(CNCc2ccc(NC(C)=O)nc2)c1O ZINC000278989154 474953878 /nfs/dbraw/zinc/95/38/78/474953878.db2.gz BBERJQDIRPDMLF-UHFFFAOYSA-N 0 3 335.791 2.697 20 10 EFCDHN COC[C@H]([NH2+]Cc1cc(Br)cc(C)c1[O-])[C@H]1CCCO1 ZINC000279499602 474979069 /nfs/dbraw/zinc/97/90/69/474979069.db2.gz VWKSPRDWRDAPJP-UONOGXRCSA-N 0 3 344.249 2.747 20 10 EFCDHN Cc1ccc([C@H](C)[NH2+]CCCN2CCC[C@H]2C(=O)N(C)C)c([O-])c1C ZINC000273604022 474986389 /nfs/dbraw/zinc/98/63/89/474986389.db2.gz SOEZMHSRAWLFMH-WMZOPIPTSA-N 0 3 347.503 2.602 20 10 EFCDHN COc1cc(N2CCN(CCCCF)CC2)cc(OC)c1OC ZINC000285360909 474989691 /nfs/dbraw/zinc/98/96/91/474989691.db2.gz BLUPUUOVEHBKCH-UHFFFAOYSA-N 0 3 326.412 2.584 20 10 EFCDHN C[C@@H](NC(=O)c1cccc(O)c1[O-])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000279789552 474990982 /nfs/dbraw/zinc/99/09/82/474990982.db2.gz IMCVXJLWYRDKKJ-GDBMZVCRSA-N 0 3 340.423 2.738 20 10 EFCDHN C[C@@H](NC(=O)c1cccc(O)c1[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000279789552 474990990 /nfs/dbraw/zinc/99/09/90/474990990.db2.gz IMCVXJLWYRDKKJ-GDBMZVCRSA-N 0 3 340.423 2.738 20 10 EFCDHN CCN(Cc1ccccc1)c1ccc(CN[C@H](CO)COC)cc1 ZINC000279835093 474995475 /nfs/dbraw/zinc/99/54/75/474995475.db2.gz QNCMXDYXWWURBL-LJQANCHMSA-N 0 3 328.456 2.810 20 10 EFCDHN CC[C@H]([NH2+]C1CCN(S(=O)(=O)CC)CC1)c1ccc(C)cc1[O-] ZINC000280005686 475004084 /nfs/dbraw/zinc/00/40/84/475004084.db2.gz GICGVDKKSVTTGH-INIZCTEOSA-N 0 3 340.489 2.555 20 10 EFCDHN CC[C@H]([NH2+][C@@H]1CCN(c2cc(C)nn2C)C1=O)c1ccc(C)cc1[O-] ZINC000280247391 475017026 /nfs/dbraw/zinc/01/70/26/475017026.db2.gz WIVRWVDVLVBOOL-JKSUJKDBSA-N 0 3 342.443 2.589 20 10 EFCDHN CO[C@]1(C)CCCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000280314764 475020710 /nfs/dbraw/zinc/02/07/10/475020710.db2.gz GOBZPURYXIJKFJ-HXUWFJFHSA-N 0 3 347.503 2.602 20 10 EFCDHN COc1ccc([O-])c(C[NH+]2CCC(CO)(c3ccccc3)CC2)c1 ZINC000293521496 475020915 /nfs/dbraw/zinc/02/09/15/475020915.db2.gz AYOZXYWDMSKLQF-UHFFFAOYSA-N 0 3 327.424 2.927 20 10 EFCDHN COCCCOc1ccc(C[NH2+]Cc2cc3c(cc2[O-])OCO3)cc1 ZINC000285704456 475038688 /nfs/dbraw/zinc/03/86/88/475038688.db2.gz WBEJLWUUBRNKHJ-UHFFFAOYSA-N 0 3 345.395 2.826 20 10 EFCDHN COCCCOc1ccc(CNCc2cc3c(cc2O)OCO3)cc1 ZINC000285704456 475038694 /nfs/dbraw/zinc/03/86/94/475038694.db2.gz WBEJLWUUBRNKHJ-UHFFFAOYSA-N 0 3 345.395 2.826 20 10 EFCDHN CC[C@@H]([NH2+]C[C@H](C(C)C)N1CCN(C)CC1)c1ccc(F)cc1[O-] ZINC000285760297 475040637 /nfs/dbraw/zinc/04/06/37/475040637.db2.gz SDCQUKHQEDEIHA-QZTJIDSGSA-N 0 3 337.483 2.844 20 10 EFCDHN CC[C@@H]([NH2+]Cc1cc(Cl)cc(OC)c1[O-])[C@H](O)C(F)(F)F ZINC000273761856 475046023 /nfs/dbraw/zinc/04/60/23/475046023.db2.gz PFZWXDHIUZVKBF-SKDRFNHKSA-N 0 3 327.730 2.846 20 10 EFCDHN C[C@H](NCc1ccc(NS(C)(=O)=O)cc1)c1ccc(N(C)C)cc1 ZINC000268867303 475046195 /nfs/dbraw/zinc/04/61/95/475046195.db2.gz WYBFNXYNWOZMGL-AWEZNQCLSA-N 0 3 347.484 2.975 20 10 EFCDHN COc1ccc(N2CCN(CCN[C@H](C)c3cncs3)CC2)cc1 ZINC000268847214 475046891 /nfs/dbraw/zinc/04/68/91/475046891.db2.gz SANCWWYOQWNSES-OAHLLOKOSA-N 0 3 346.500 2.625 20 10 EFCDHN C[C@@H](NC[C@H]1CN(C)CCN1C)c1ccc(N2CCCCC2)cc1 ZINC000268879914 475048081 /nfs/dbraw/zinc/04/80/81/475048081.db2.gz HQCJMEJAVPBHOB-XLIONFOSSA-N 0 3 330.520 2.573 20 10 EFCDHN Cc1cc(CN2CCC([C@H](O)c3nccn3C)CC2)ccc1N(C)C ZINC000293746939 475050593 /nfs/dbraw/zinc/05/05/93/475050593.db2.gz IGLULWQXUROVLQ-IBGZPJMESA-N 0 3 342.487 2.740 20 10 EFCDHN CCC[C@H](C)C(=O)NCC[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000293787166 475053464 /nfs/dbraw/zinc/05/34/64/475053464.db2.gz CDQXRTKSEWNWJA-NSHDSACASA-N 0 3 328.840 2.696 20 10 EFCDHN Cc1cc(CN2CCN(C3CCOCC3)C[C@@H]2C)ccc1N(C)C ZINC000294324041 475067080 /nfs/dbraw/zinc/06/70/80/475067080.db2.gz YDELLOUIHMUSPA-KRWDZBQOSA-N 0 3 331.504 2.746 20 10 EFCDHN C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCC[N@@H+]2Cc2cc3c(cc2[O-])OCO3)C1 ZINC000281133317 475084498 /nfs/dbraw/zinc/08/44/98/475084498.db2.gz DBQYJOROBFXCSU-BVUBDWEXSA-N 0 3 333.428 2.882 20 10 EFCDHN C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCC[N@H+]2Cc2cc3c(cc2[O-])OCO3)C1 ZINC000281133317 475084507 /nfs/dbraw/zinc/08/45/07/475084507.db2.gz DBQYJOROBFXCSU-BVUBDWEXSA-N 0 3 333.428 2.882 20 10 EFCDHN CC(C)NC(=O)CNCc1ccc(N(C)Cc2cccs2)cc1 ZINC000294825098 475085631 /nfs/dbraw/zinc/08/56/31/475085631.db2.gz RUKAVIDQNSIYMG-UHFFFAOYSA-N 0 3 331.485 2.999 20 10 EFCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+][C@H]1CCCN(CCCO)C1 ZINC000295022752 475099232 /nfs/dbraw/zinc/09/92/32/475099232.db2.gz CKKGNPGEXLFPAD-FQEVSTJZSA-N 0 3 340.467 2.996 20 10 EFCDHN Cn1cc([C@@H]2C[N@H+](Cc3ccccc3[O-])CC23CCOCC3)cn1 ZINC000295096990 475103484 /nfs/dbraw/zinc/10/34/84/475103484.db2.gz UKJXDCPLLFTYFQ-KRWDZBQOSA-N 0 3 327.428 2.522 20 10 EFCDHN Cn1cc([C@@H]2C[N@@H+](Cc3ccccc3[O-])CC23CCOCC3)cn1 ZINC000295096990 475103491 /nfs/dbraw/zinc/10/34/91/475103491.db2.gz UKJXDCPLLFTYFQ-KRWDZBQOSA-N 0 3 327.428 2.522 20 10 EFCDHN Cn1cc([C@H]2C[N@H+](Cc3ccccc3[O-])CC23CCOCC3)cn1 ZINC000295096992 475104569 /nfs/dbraw/zinc/10/45/69/475104569.db2.gz UKJXDCPLLFTYFQ-QGZVFWFLSA-N 0 3 327.428 2.522 20 10 EFCDHN Cn1cc([C@H]2C[N@@H+](Cc3ccccc3[O-])CC23CCOCC3)cn1 ZINC000295096992 475104575 /nfs/dbraw/zinc/10/45/75/475104575.db2.gz UKJXDCPLLFTYFQ-QGZVFWFLSA-N 0 3 327.428 2.522 20 10 EFCDHN COc1ccc([O-])c(C[N@@H+]2CC[C@@H](C(=O)N(C)c3ccccc3)C2)c1 ZINC000281282956 475150183 /nfs/dbraw/zinc/15/01/83/475150183.db2.gz ZJEJFYWXTWTJHV-OAHLLOKOSA-N 0 3 340.423 2.886 20 10 EFCDHN COc1ccc([O-])c(C[N@H+]2CC[C@@H](C(=O)N(C)c3ccccc3)C2)c1 ZINC000281282956 475150193 /nfs/dbraw/zinc/15/01/93/475150193.db2.gz ZJEJFYWXTWTJHV-OAHLLOKOSA-N 0 3 340.423 2.886 20 10 EFCDHN Cc1ccc([C@@H](O)CN[C@H](C)c2ccc(N3CCOCC3)c(F)c2)o1 ZINC000269071737 475159987 /nfs/dbraw/zinc/15/99/87/475159987.db2.gz XCVIIHGIFZSBPT-KDOFPFPSSA-N 0 3 348.418 2.948 20 10 EFCDHN Cc1ccc([C@@H](O)CN[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)o1 ZINC000269071738 475160605 /nfs/dbraw/zinc/16/06/05/475160605.db2.gz XCVIIHGIFZSBPT-KSSFIOAISA-N 0 3 348.418 2.948 20 10 EFCDHN COc1cc([O-])c(C[NH2+]C2CCN(c3nccs3)CC2)cc1OC ZINC000281319955 475168895 /nfs/dbraw/zinc/16/88/95/475168895.db2.gz RFQVYISITLMMMW-UHFFFAOYSA-N 0 3 349.456 2.625 20 10 EFCDHN Cc1c2ccccc2n(C)c1CNC(=O)N1CCN(C)CC[C@H]1C ZINC000350284610 476118899 /nfs/dbraw/zinc/11/88/99/476118899.db2.gz FCVHMVVYYWVYQU-CQSZACIVSA-N 0 3 328.460 2.722 20 10 EFCDHN COc1cc(O)c(CN[C@@H]2CN(C)Cc3ccccc32)cc1OC ZINC000359892702 476271611 /nfs/dbraw/zinc/27/16/11/476271611.db2.gz AQJADLQQJQWQNR-MRXNPFEDSA-N 0 3 328.412 2.686 20 10 EFCDHN Cn1nccc1CNC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000368942249 476379259 /nfs/dbraw/zinc/37/92/59/476379259.db2.gz NKXDJCWREFTWBF-UHFFFAOYSA-N 0 3 336.386 2.780 20 10 EFCDHN CN(C)c1ccc(CN2CC[C@@]3(C2)c2ccccc2NC3=O)cc1F ZINC000373531365 476413867 /nfs/dbraw/zinc/41/38/67/476413867.db2.gz DVJDRDLOEARCHL-HXUWFJFHSA-N 0 3 339.414 2.988 20 10 EFCDHN CCOc1cccc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)c1[O-] ZINC000374256520 476463600 /nfs/dbraw/zinc/46/36/00/476463600.db2.gz NYKOLJFNJFATON-DLBZAZTESA-N 0 3 345.443 2.613 20 10 EFCDHN CCOc1cccc(C[N@H+]2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)c1[O-] ZINC000374256520 476463605 /nfs/dbraw/zinc/46/36/05/476463605.db2.gz NYKOLJFNJFATON-DLBZAZTESA-N 0 3 345.443 2.613 20 10 EFCDHN CCOc1cccc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)c1[O-] ZINC000374256521 476464088 /nfs/dbraw/zinc/46/40/88/476464088.db2.gz NYKOLJFNJFATON-IAGOWNOFSA-N 0 3 345.443 2.613 20 10 EFCDHN CCOc1cccc(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)c1[O-] ZINC000374256521 476464096 /nfs/dbraw/zinc/46/40/96/476464096.db2.gz NYKOLJFNJFATON-IAGOWNOFSA-N 0 3 345.443 2.613 20 10 EFCDHN CN(C)c1ccc(CN2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)cc1F ZINC000374254314 476464149 /nfs/dbraw/zinc/46/41/49/476464149.db2.gz DHWSADLJDOBALB-QFBILLFUSA-N 0 3 346.450 2.713 20 10 EFCDHN CN(C)c1ccc(CN2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)cc1F ZINC000374254310 476464350 /nfs/dbraw/zinc/46/43/50/476464350.db2.gz DHWSADLJDOBALB-APWZRJJASA-N 0 3 346.450 2.713 20 10 EFCDHN CN(Cc1c([O-])cccc1Cl)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000377624440 476480844 /nfs/dbraw/zinc/48/08/44/476480844.db2.gz JSJYVPHDCOLVAX-OAHLLOKOSA-N 0 3 337.895 2.646 20 10 EFCDHN CN(Cc1c([O-])cccc1Cl)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000377624440 476480848 /nfs/dbraw/zinc/48/08/48/476480848.db2.gz JSJYVPHDCOLVAX-OAHLLOKOSA-N 0 3 337.895 2.646 20 10 EFCDHN Cc1ccc([O-])c(C[N@@H+]2CCCC[C@H]2COC(=O)N[C@@H]2CCOC2)c1 ZINC000377689509 476523406 /nfs/dbraw/zinc/52/34/06/476523406.db2.gz CCVKEXHEDKNFCL-SJORKVTESA-N 0 3 348.443 2.570 20 10 EFCDHN Cc1ccc([O-])c(C[N@H+]2CCCC[C@H]2COC(=O)N[C@@H]2CCOC2)c1 ZINC000377689509 476523414 /nfs/dbraw/zinc/52/34/14/476523414.db2.gz CCVKEXHEDKNFCL-SJORKVTESA-N 0 3 348.443 2.570 20 10 EFCDHN Cc1c2ccccc2n(C)c1CNC(=O)[C@@H](C1CC1)N1CCCC1 ZINC000352126550 476525664 /nfs/dbraw/zinc/52/56/64/476525664.db2.gz VAWBYISWQLBOCT-LJQANCHMSA-N 0 3 325.456 2.977 20 10 EFCDHN CC(=O)Nc1c[nH]nc1[C@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000374783372 476528438 /nfs/dbraw/zinc/52/84/38/476528438.db2.gz QUBOYQTWAVSTRB-LBPRGKRZSA-N 0 3 332.379 2.592 20 10 EFCDHN CC(=O)Nc1c[nH]nc1[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000374783372 476528446 /nfs/dbraw/zinc/52/84/46/476528446.db2.gz QUBOYQTWAVSTRB-LBPRGKRZSA-N 0 3 332.379 2.592 20 10 EFCDHN CN(C)c1ccc(CN2CCC(OC[C@H]3CCOC3)CC2)cc1F ZINC000374907726 476586203 /nfs/dbraw/zinc/58/62/03/476586203.db2.gz FWQIYHFNRIYQRK-INIZCTEOSA-N 0 3 336.451 2.909 20 10 EFCDHN CN1Cc2ccccc2[C@@H](NCc2ccc(N3CCOCC3)cc2)C1 ZINC000378274873 476690005 /nfs/dbraw/zinc/69/00/05/476690005.db2.gz VJNHYLPDBRLGRO-NRFANRHFSA-N 0 3 337.467 2.800 20 10 EFCDHN CN1Cc2ccccc2[C@H](NCc2ccc(N3CCOCC3)cc2)C1 ZINC000378274875 476690140 /nfs/dbraw/zinc/69/01/40/476690140.db2.gz VJNHYLPDBRLGRO-OAQYLSRUSA-N 0 3 337.467 2.800 20 10 EFCDHN C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)Cc1ccc(N)cc1 ZINC000370773177 476978991 /nfs/dbraw/zinc/97/89/91/476978991.db2.gz MZPQRPPFRRYJKE-JXFKEZNVSA-N 0 3 337.467 2.838 20 10 EFCDHN COc1cc(Br)cc(C[NH2+][C@@H]2CCO[C@H]2C2CC2)c1[O-] ZINC000371218050 477182509 /nfs/dbraw/zinc/18/25/09/477182509.db2.gz FDWOLLJRVARCEF-DOMZBBRYSA-N 0 3 342.233 2.820 20 10 EFCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2N2CCOCC2)c1 ZINC000371834257 477518465 /nfs/dbraw/zinc/51/84/65/477518465.db2.gz IJQBEXLMWOCDKV-QGTPRVQTSA-N 0 3 334.460 2.695 20 10 EFCDHN [O-]c1cc2c(cc1C[N@@H+]1CCCN3c4ccccc4C[C@@H]3C1)OCO2 ZINC000368219108 477791099 /nfs/dbraw/zinc/79/10/99/477791099.db2.gz YZBUDMQUXXNEBP-MRXNPFEDSA-N 0 3 338.407 2.758 20 10 EFCDHN [O-]c1cc2c(cc1C[N@H+]1CCCN3c4ccccc4C[C@@H]3C1)OCO2 ZINC000368219108 477791103 /nfs/dbraw/zinc/79/11/03/477791103.db2.gz YZBUDMQUXXNEBP-MRXNPFEDSA-N 0 3 338.407 2.758 20 10 EFCDHN CN1CC[C@@]2(CCN(C(=O)NCc3ccc(N4CCCC4)cc3)C2)C1 ZINC000368305720 477797185 /nfs/dbraw/zinc/79/71/85/477797185.db2.gz ZBUITTBBLZLGRA-HXUWFJFHSA-N 0 3 342.487 2.524 20 10 EFCDHN C[C@H]([NH2+]C[C@@H]1CN2CCC[C@H]2CO1)c1cc2c(cc1[O-])CCCC2 ZINC000368324741 477798433 /nfs/dbraw/zinc/79/84/33/477798433.db2.gz UDSGKOIAHRKDNX-JCGIZDLHSA-N 0 3 330.472 2.785 20 10 EFCDHN Cc1c2ccccc2n(C)c1CN[C@H](Cc1ccc(F)cc1)C(N)=O ZINC000481563193 478026060 /nfs/dbraw/zinc/02/60/60/478026060.db2.gz CPVGUYWEXISNCE-QGZVFWFLSA-N 0 3 339.414 2.812 20 10 EFCDHN Cc1c2ccccc2n(C)c1CNC(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000490344784 478332087 /nfs/dbraw/zinc/33/20/87/478332087.db2.gz QCQMRYYKXOEWLM-FQEVSTJZSA-N 0 3 340.471 2.724 20 10 EFCDHN CCn1nncc1CN[C@H](C)c1cc(Br)cc(C)c1O ZINC000527919172 478571539 /nfs/dbraw/zinc/57/15/39/478571539.db2.gz FKCYBDQBHACLDD-SNVBAGLBSA-N 0 3 339.237 2.925 20 10 EFCDHN CCn1nncc1CN[C@@H](C)c1cc(Br)cc(C)c1O ZINC000527918871 478571619 /nfs/dbraw/zinc/57/16/19/478571619.db2.gz FKCYBDQBHACLDD-JTQLQIEISA-N 0 3 339.237 2.925 20 10 EFCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C2CCN(C(=O)c3ccoc3)CC2)c1 ZINC000184979666 534203451 /nfs/dbraw/zinc/20/34/51/534203451.db2.gz QHSOTNXLHDODGX-CYBMUJFWSA-N 0 3 344.411 2.949 20 10 EFCDHN CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H]2CCc3cccc([O-])c32)c1 ZINC000297965435 522311649 /nfs/dbraw/zinc/31/16/49/522311649.db2.gz ZMBMGXBYXBMMIZ-BLLLJJGKSA-N 0 3 346.452 2.638 20 10 EFCDHN CS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000298773801 525136239 /nfs/dbraw/zinc/13/62/39/525136239.db2.gz HCTJKEUZUNXSBG-CQSZACIVSA-N 0 3 333.453 2.802 20 10 EFCDHN CS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000298773801 525136245 /nfs/dbraw/zinc/13/62/45/525136245.db2.gz HCTJKEUZUNXSBG-CQSZACIVSA-N 0 3 333.453 2.802 20 10 EFCDHN CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H]2CCc3cccc([O-])c32)cc1 ZINC000295942001 536321674 /nfs/dbraw/zinc/32/16/74/536321674.db2.gz KWGXHSGJWIIGOF-MLGOLLRUSA-N 0 3 346.452 2.638 20 10 EFCDHN COc1ccc(N2CCC(NCc3cnccc3OC)CC2)cc1 ZINC000366439727 536670012 /nfs/dbraw/zinc/67/00/12/536670012.db2.gz YUOPADVUMNJEBH-UHFFFAOYSA-N 0 3 327.428 2.857 20 10 EFCDHN COc1cc([O-])c(C[N@@H+]2CC[C@](CO)(c3ccccc3)C2)cc1OC ZINC000365835715 536856732 /nfs/dbraw/zinc/85/67/32/536856732.db2.gz GIVGOEDFRWJWHX-FQEVSTJZSA-N 0 3 343.423 2.545 20 10 EFCDHN COc1cc([O-])c(C[N@H+]2CC[C@](CO)(c3ccccc3)C2)cc1OC ZINC000365835715 536856734 /nfs/dbraw/zinc/85/67/34/536856734.db2.gz GIVGOEDFRWJWHX-FQEVSTJZSA-N 0 3 343.423 2.545 20 10 EFCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CCC(CC)(CC)C1)cc2=O ZINC000756023660 575673423 /nfs/dbraw/zinc/67/34/23/575673423.db2.gz PCSJBIDGVYQPEZ-UHFFFAOYSA-N 0 3 346.431 2.624 20 10 EFCDHN COc1cccc(CN[C@H]2CCN(c3c(F)cccc3F)C2=O)c1O ZINC000756148867 575693315 /nfs/dbraw/zinc/69/33/15/575693315.db2.gz HBFUACBZFGHYRA-AWEZNQCLSA-N 0 3 348.349 2.574 20 10 EFCDHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCCN2CCC(C)CC2)c1 ZINC000756361577 575723264 /nfs/dbraw/zinc/72/32/64/575723264.db2.gz KGUMTNAFSVERBY-HNNXBMFYSA-N 0 3 334.460 2.951 20 10 EFCDHN C[C@H]1C[C@@H]([NH2+]CC(C)(C)N2CCN(C)CC2)c2c1c(F)ccc2[O-] ZINC000756400027 575731097 /nfs/dbraw/zinc/73/10/97/575731097.db2.gz UHHYGYUYNVYSRC-DZGCQCFKSA-N 0 3 335.467 2.695 20 10 EFCDHN CCN1CCN(CCC[NH2+][C@H]2C[C@H](C)c3c2c([O-])ccc3F)CC1 ZINC000756408619 575732508 /nfs/dbraw/zinc/73/25/08/575732508.db2.gz QDSYHLLYMQQEHM-HOCLYGCPSA-N 0 3 335.467 2.697 20 10 EFCDHN CCN1CCN([C@H](C)C[NH2+][C@H]2C[C@@H](C)c3c2c([O-])ccc3F)CC1 ZINC000756412927 575733808 /nfs/dbraw/zinc/73/38/08/575733808.db2.gz WKQAPNILJMEGFB-FMKPAKJESA-N 0 3 335.467 2.695 20 10 EFCDHN C[C@H]1C[C@H]([NH2+]Cc2ccc(-n3cncn3)nc2)c2c1c(F)ccc2[O-] ZINC000756430977 575738193 /nfs/dbraw/zinc/73/81/93/575738193.db2.gz LISXHADYMCIJRB-FZMZJTMJSA-N 0 3 339.374 2.845 20 10 EFCDHN CNS(=O)(=O)Cc1ccc(C[NH2+][C@@H](C)c2ccc(C)cc2[O-])cc1 ZINC000756443823 575740772 /nfs/dbraw/zinc/74/07/72/575740772.db2.gz JAKVWHWYHCGIAD-AWEZNQCLSA-N 0 3 348.468 2.601 20 10 EFCDHN Cc1ccc([C@@H](C)[NH2+]Cc2ccc(NS(C)(=O)=O)cc2)c([O-])c1 ZINC000756469846 575743662 /nfs/dbraw/zinc/74/36/62/575743662.db2.gz LNXSQCKJUDQFOO-CYBMUJFWSA-N 0 3 334.441 2.923 20 10 EFCDHN COc1ccc(O)c([C@H](C)NCc2cc(OC)c(O)c(OC)c2)c1 ZINC000756523213 575755043 /nfs/dbraw/zinc/75/50/43/575755043.db2.gz APVKYXZVQJGFLT-NSHDSACASA-N 0 3 333.384 2.974 20 10 EFCDHN CCN1CCN(C[C@H](C)C[NH2+][C@H]2C[C@@H](C)c3c2c([O-])ccc3F)CC1 ZINC000756534788 575756468 /nfs/dbraw/zinc/75/64/68/575756468.db2.gz OQYIGFOJHVFLIS-INMHGKMJSA-N 0 3 349.494 2.943 20 10 EFCDHN Cc1ccc([C@H](C)[NH2+]C2CCN(CCC(=O)N(C)C)CC2)c([O-])c1C ZINC000756563298 575763257 /nfs/dbraw/zinc/76/32/57/575763257.db2.gz OCJOYYPENBJNNS-INIZCTEOSA-N 0 3 347.503 2.602 20 10 EFCDHN C[C@@H](NCc1ccc(C(N)=O)nc1)c1cc2c(cc1O)CCCC2 ZINC000756640853 575771787 /nfs/dbraw/zinc/77/17/87/575771787.db2.gz PYXSGQKOKWFPDX-GFCCVEGCSA-N 0 3 325.412 2.616 20 10 EFCDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@H]2CCN(C(=O)C3CCCC3)C2)c1 ZINC000756661166 575773969 /nfs/dbraw/zinc/77/39/69/575773969.db2.gz YYYNYRYYRHHBJI-HIFRSBDPSA-N 0 3 332.444 2.843 20 10 EFCDHN C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(CC(F)(F)F)C2=O)c2c1c(F)ccc2[O-] ZINC000756713901 575780050 /nfs/dbraw/zinc/78/00/50/575780050.db2.gz ZALIUGCCVLCWLN-DVVUODLYSA-N 0 3 346.324 2.832 20 10 EFCDHN C[C@@H](NCc1ccnc(N(C)C)n1)c1cc2c(cc1O)CCCC2 ZINC000756789759 575786985 /nfs/dbraw/zinc/78/69/85/575786985.db2.gz ISBYLHZRYIICMK-CYBMUJFWSA-N 0 3 326.444 2.978 20 10 EFCDHN C[C@@H]1C[C@@H]([NH2+]C[C@H]2COC3(CCOCC3)O2)c2c1c(F)ccc2[O-] ZINC000756863710 575794656 /nfs/dbraw/zinc/79/46/56/575794656.db2.gz KIHNTOYRHKVOBV-MBNYWOFBSA-N 0 3 337.391 2.591 20 10 EFCDHN CCN(CC)c1ccc(CNC(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)cc1 ZINC000757635036 575846530 /nfs/dbraw/zinc/84/65/30/575846530.db2.gz MCBNILJXVAALBD-HNAYVOBHSA-N 0 3 344.503 2.815 20 10 EFCDHN C[C@@H](NC[C@@H]1CCCCS1(=O)=O)c1cc2c(cc1O)CCCC2 ZINC000757657923 575847931 /nfs/dbraw/zinc/84/79/31/575847931.db2.gz UHGCRAULODOZCX-CJNGLKHVSA-N 0 3 337.485 2.889 20 10 EFCDHN C[C@@H]([NH2+]C[C@@H]1CCCCS1(=O)=O)c1cc2c(cc1[O-])CCCC2 ZINC000757657923 575847933 /nfs/dbraw/zinc/84/79/33/575847933.db2.gz UHGCRAULODOZCX-CJNGLKHVSA-N 0 3 337.485 2.889 20 10 EFCDHN C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCCS2(=O)=O)c2c1c(F)ccc2[O-] ZINC000757656975 575847988 /nfs/dbraw/zinc/84/79/88/575847988.db2.gz SXDAGCFIVOVDNE-NTZNESFSSA-N 0 3 327.421 2.637 20 10 EFCDHN C[C@H]([NH2+][C@H]1CCCN(Cc2ccccn2)C1=O)c1cc(F)ccc1[O-] ZINC000757659708 575848205 /nfs/dbraw/zinc/84/82/05/575848205.db2.gz ZLFIWYVDCVPENS-GUYCJALGSA-N 0 3 343.402 2.768 20 10 EFCDHN C[N@H+](Cc1c([O-])ccc2cc(Br)ccc21)[C@H]1CCNC1=O ZINC000758411069 575869094 /nfs/dbraw/zinc/86/90/94/575869094.db2.gz ZEERSMVLJIDRBN-AWEZNQCLSA-N 0 3 349.228 2.628 20 10 EFCDHN C[N@@H+](Cc1c([O-])ccc2cc(Br)ccc21)[C@H]1CCNC1=O ZINC000758411069 575869095 /nfs/dbraw/zinc/86/90/95/575869095.db2.gz ZEERSMVLJIDRBN-AWEZNQCLSA-N 0 3 349.228 2.628 20 10 EFCDHN COc1cccc(C[NH2+]C[C@@]2(CO)C[C@H]2c2ccc(F)cc2)c1[O-] ZINC000758521243 575871478 /nfs/dbraw/zinc/87/14/78/575871478.db2.gz ARLQWKLBJDZFHW-QFBILLFUSA-N 0 3 331.387 2.796 20 10 EFCDHN CC[C@H](CN1CCCC1)NC(=O)NCc1ccc(N(C)C)cc1C ZINC000758773319 575877330 /nfs/dbraw/zinc/87/73/30/575877330.db2.gz DIMSTYUVCQEOFO-QGZVFWFLSA-N 0 3 332.492 2.735 20 10 EFCDHN CCC1(CC)[C@@H](NCC(=O)NCc2ccc(N(C)C)cc2)C[C@@H]1OC ZINC000759601533 575907484 /nfs/dbraw/zinc/90/74/84/575907484.db2.gz NWKBJMAFDPRGJP-ROUUACIJSA-N 0 3 347.503 2.552 20 10 EFCDHN COc1cc(Cl)cc(C[NH2+]CCC(=O)Nc2ccccn2)c1[O-] ZINC000761199211 576128498 /nfs/dbraw/zinc/12/84/98/576128498.db2.gz ZIOBMBWZIOBOAH-UHFFFAOYSA-N 0 3 335.791 2.568 20 10 EFCDHN COc1cc(Cl)cc(CN2CCC(O[C@H]3CCOC3)CC2)c1O ZINC000761206285 576129717 /nfs/dbraw/zinc/12/97/17/576129717.db2.gz VLQJDBNEQDTWPR-HNNXBMFYSA-N 0 3 341.835 2.824 20 10 EFCDHN COc1cccc(CN(C)c2ccc(OCCN(C)C)cc2)c1O ZINC000761222753 576131768 /nfs/dbraw/zinc/13/17/68/576131768.db2.gz VGXVXLFJQVFZGR-UHFFFAOYSA-N 0 3 330.428 2.978 20 10 EFCDHN [O-]c1cc2c(cc1C[NH+]1CCC(c3ccncc3)CC1)[C@H](O)CO2 ZINC000762094882 576255670 /nfs/dbraw/zinc/25/56/70/576255670.db2.gz AIJZJCROCUIUHT-GOSISDBHSA-N 0 3 326.396 2.593 20 10 EFCDHN Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000764849890 576511713 /nfs/dbraw/zinc/51/17/13/576511713.db2.gz IVAAGOKGZCUZBA-IBGZPJMESA-N 0 3 344.503 2.877 20 10 EFCDHN C[C@H](NCc1ccc(N(C)C)nc1)c1ccc(N2CCOCC2)cc1 ZINC000764865925 576514451 /nfs/dbraw/zinc/51/44/51/576514451.db2.gz YLGXKPFQKIIPFQ-INIZCTEOSA-N 0 3 340.471 2.835 20 10 EFCDHN COC[C@H](NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)C1CC1 ZINC000765128958 577010306 /nfs/dbraw/zinc/01/03/06/577010306.db2.gz YXCXSVXDRSHJDW-LBTNJELSSA-N 0 3 336.451 2.954 20 10 EFCDHN CNC(=O)COc1cccc(CN[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000765241538 577022482 /nfs/dbraw/zinc/02/24/82/577022482.db2.gz XPTBKIZHMYCVAQ-HNNXBMFYSA-N 0 3 341.455 2.728 20 10 EFCDHN C[C@@H](NCCOCC(F)(F)F)c1ccc(N2CCOCC2)cc1 ZINC000765361695 577035053 /nfs/dbraw/zinc/03/50/53/577035053.db2.gz AVIVVWHYQCUGLZ-CYBMUJFWSA-N 0 3 332.366 2.753 20 10 EFCDHN CCN(C)c1ccc([C@@H](C)NCCS(=O)(=O)NC(C)(C)C)cc1 ZINC000765410918 577039068 /nfs/dbraw/zinc/03/90/68/577039068.db2.gz VHHIOXUQGHMAAE-CQSZACIVSA-N 0 3 341.521 2.511 20 10 EFCDHN C[C@@H](NC[C@@](C)(O)C1CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000765937474 577090148 /nfs/dbraw/zinc/09/01/48/577090148.db2.gz VPRJWBWHNLNXDY-FZKQIMNGSA-N 0 3 338.879 2.988 20 10 EFCDHN COc1ccc(N2CCN(CCNCc3cc(C)oc3C)CC2)cc1 ZINC000767349006 577205659 /nfs/dbraw/zinc/20/56/59/577205659.db2.gz MWMSXNRUZBCATH-UHFFFAOYSA-N 0 3 343.471 2.817 20 10 EFCDHN CCN(CC)C(=O)[C@@H](Cc1ccccc1)[NH2+]Cc1ccccc1[O-] ZINC000725841513 577243757 /nfs/dbraw/zinc/24/37/57/577243757.db2.gz LRTZNNSEGABEDF-GOSISDBHSA-N 0 3 326.440 2.962 20 10 EFCDHN CCN(CC)C(=O)[C@H](Cc1ccccc1)[NH2+]Cc1ccccc1[O-] ZINC000725841515 577243765 /nfs/dbraw/zinc/24/37/65/577243765.db2.gz LRTZNNSEGABEDF-SFHVURJKSA-N 0 3 326.440 2.962 20 10 EFCDHN CCOc1ccc(C[NH2+]C[C@@H](CO)Cc2ccc(F)cc2)c([O-])c1 ZINC000725846276 577247045 /nfs/dbraw/zinc/24/70/45/577247045.db2.gz BKRKLQJYIXCYOZ-HNNXBMFYSA-N 0 3 333.403 2.871 20 10 EFCDHN COc1cccc(CN[C@H](CC(=O)N(C)C)c2ccccc2)c1O ZINC000725846670 577247194 /nfs/dbraw/zinc/24/71/94/577247194.db2.gz OMCBMSMDSADGNS-MRXNPFEDSA-N 0 3 328.412 2.710 20 10 EFCDHN Cc1nccn1CCNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000725850165 577250004 /nfs/dbraw/zinc/25/00/04/577250004.db2.gz OLBZFCFOBMFHJM-UHFFFAOYSA-N 0 3 343.431 2.880 20 10 EFCDHN CC(C)CCOC1CC[NH+](Cc2cc3c(cc2[O-])OC[C@H]3O)CC1 ZINC000768439926 577273475 /nfs/dbraw/zinc/27/34/75/577273475.db2.gz QCKKNVNDKBSZCQ-GOSISDBHSA-N 0 3 335.444 2.845 20 10 EFCDHN [O-]c1cc2c(cc1CN1CC[NH+](CC3CCCCC3)CC1)[C@H](O)CO2 ZINC000768440639 577273793 /nfs/dbraw/zinc/27/37/93/577273793.db2.gz SDSMKKLUZDWTFE-LJQANCHMSA-N 0 3 346.471 2.516 20 10 EFCDHN CC1CCC([NH+]2CCN(Cc3cc4c(cc3[O-])OC[C@@H]4O)CC2)CC1 ZINC000768445008 577274169 /nfs/dbraw/zinc/27/41/69/577274169.db2.gz DXJJZVAIDACBKK-KJXMEXGPSA-N 0 3 346.471 2.514 20 10 EFCDHN COc1ccccc1[C@@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768448339 577274760 /nfs/dbraw/zinc/27/47/60/577274760.db2.gz UMMUVAWGJLRVJU-FZKQIMNGSA-N 0 3 341.407 2.816 20 10 EFCDHN COc1ccccc1[C@@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768448339 577274763 /nfs/dbraw/zinc/27/47/63/577274763.db2.gz UMMUVAWGJLRVJU-FZKQIMNGSA-N 0 3 341.407 2.816 20 10 EFCDHN COc1ccc(C[N@H+](C)Cc2cc3c(cc2[O-])OC[C@@H]3O)cc1C ZINC000768453618 577275188 /nfs/dbraw/zinc/27/51/88/577275188.db2.gz ZXONJCAMNXDXLO-KRWDZBQOSA-N 0 3 329.396 2.767 20 10 EFCDHN COc1ccc(C[N@@H+](C)Cc2cc3c(cc2[O-])OC[C@@H]3O)cc1C ZINC000768453618 577275190 /nfs/dbraw/zinc/27/51/90/577275190.db2.gz ZXONJCAMNXDXLO-KRWDZBQOSA-N 0 3 329.396 2.767 20 10 EFCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@H](c3ccc(F)cc3)C1)[C@H](O)CO2 ZINC000768463404 577275989 /nfs/dbraw/zinc/27/59/89/577275989.db2.gz IEYYJCNZIHRDNK-FZKQIMNGSA-N 0 3 329.371 2.947 20 10 EFCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@@H](c3ccc(F)cc3)C1)[C@H](O)CO2 ZINC000768463404 577275991 /nfs/dbraw/zinc/27/59/91/577275991.db2.gz IEYYJCNZIHRDNK-FZKQIMNGSA-N 0 3 329.371 2.947 20 10 EFCDHN C[C@H](Cn1cccn1)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000768676542 577294435 /nfs/dbraw/zinc/29/44/35/577294435.db2.gz DQZXUEKDAQRWLC-BZUAXINKSA-N 0 3 346.450 2.814 20 10 EFCDHN CCOc1ccc(C[NH+]2CCC(OC[C@H]3CCCO3)CC2)c([O-])c1 ZINC000769189590 577343113 /nfs/dbraw/zinc/34/31/13/577343113.db2.gz NDBXIKGUWLGQPU-GOSISDBHSA-N 0 3 335.444 2.951 20 10 EFCDHN COc1cccc(O)c1CN(C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000769335547 577353142 /nfs/dbraw/zinc/35/31/42/577353142.db2.gz ZKQBVJVQLMUCPA-ZDUSSCGKSA-N 0 3 336.432 2.842 20 10 EFCDHN CCOc1ccc(C[N@H+](C)[C@H](CO)c2ccc(OC)cc2)c([O-])c1 ZINC000769425201 577361777 /nfs/dbraw/zinc/36/17/77/577361777.db2.gz OKENEBDHCCTPJF-GOSISDBHSA-N 0 3 331.412 2.965 20 10 EFCDHN CCOc1ccc(C[N@@H+](C)[C@H](CO)c2ccc(OC)cc2)c([O-])c1 ZINC000769425201 577361778 /nfs/dbraw/zinc/36/17/78/577361778.db2.gz OKENEBDHCCTPJF-GOSISDBHSA-N 0 3 331.412 2.965 20 10 EFCDHN C[C@@H](CCCOc1ccccc1C(N)=O)[NH2+]Cc1ccccc1[O-] ZINC000769492884 577366955 /nfs/dbraw/zinc/36/69/55/577366955.db2.gz CJWWZSYBUDBPEN-AWEZNQCLSA-N 0 3 328.412 2.828 20 10 EFCDHN Fc1cc(CN2CCC3(C2)CCOCC3)ccc1N1CCOCC1 ZINC000769540525 577371440 /nfs/dbraw/zinc/37/14/40/577371440.db2.gz RMJIPMGCYSMILW-UHFFFAOYSA-N 0 3 334.435 2.665 20 10 EFCDHN Cn1cc(C[NH2+]Cc2ccccc2[O-])c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000726605810 577375177 /nfs/dbraw/zinc/37/51/77/577375177.db2.gz JXXMSKTZAIZCEW-UHFFFAOYSA-N 0 3 338.367 2.991 20 10 EFCDHN COC(=O)C[C@@]1(NCc2ccc(N3CCCCC3)cc2)CCCOC1 ZINC000770673003 581124247 /nfs/dbraw/zinc/12/42/47/581124247.db2.gz DUVUCKPRFDATLG-FQEVSTJZSA-N 0 3 346.471 2.879 20 10 EFCDHN Cc1cccn2cc(CNCc3ccc(N4CCN(C)CC4)cc3)nc12 ZINC000771841765 581249450 /nfs/dbraw/zinc/24/94/50/581249450.db2.gz KETVYWVKJZNTRV-UHFFFAOYSA-N 0 3 349.482 2.684 20 10 EFCDHN CN1CCN(c2ccc(CNCc3ccc4c(c3)COC4)cc2)CC1 ZINC000771844761 581250030 /nfs/dbraw/zinc/25/00/30/581250030.db2.gz CGKJMTDKNQHMDA-UHFFFAOYSA-N 0 3 337.467 2.758 20 10 EFCDHN CC[C@H]1CC[C@@H](C)N1CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000772346513 581311168 /nfs/dbraw/zinc/31/11/68/581311168.db2.gz OEEYYGGFTQQZBD-SJORKVTESA-N 0 3 345.487 2.607 20 10 EFCDHN C[C@H](NC(=O)NCCN1CCC(C)CC1)c1ccc(N(C)C)cc1 ZINC000773216957 581406460 /nfs/dbraw/zinc/40/64/60/581406460.db2.gz GPICGVQHRHDMPL-INIZCTEOSA-N 0 3 332.492 2.845 20 10 EFCDHN C[C@H](NCc1ccnn1CC1CC1)c1ccc(N2CCOCC2)cc1 ZINC000850077111 1250265147 /nfs/dbraw/zinc/26/51/47/1250265147.db2.gz JQHRQNFVYZDZPR-INIZCTEOSA-N 0 3 340.471 2.981 20 10 EFCDHN CC[C@H](C)N1C(=O)C[C@@]2(CCC[N@H+](Cc3cc(F)ccc3[O-])C2)C1=O ZINC001273283916 1265475282 /nfs/dbraw/zinc/47/52/82/1265475282.db2.gz CBXSCKKUKJZJKH-ORAYPTAESA-N 0 3 348.418 2.671 20 10 EFCDHN CC[C@H](C)N1C(=O)C[C@@]2(CCC[N@@H+](Cc3cc(F)ccc3[O-])C2)C1=O ZINC001273283916 1265475288 /nfs/dbraw/zinc/47/52/88/1265475288.db2.gz CBXSCKKUKJZJKH-ORAYPTAESA-N 0 3 348.418 2.671 20 10 EFCDHN O=C1N(C2CCCC2)CC[C@]12CC[N@@H+](Cc1cc(F)ccc1[O-])C2 ZINC001273286056 1265478749 /nfs/dbraw/zinc/47/87/49/1265478749.db2.gz YARSXTLSZIFVJF-IBGZPJMESA-N 0 3 332.419 2.898 20 10 EFCDHN O=C1N(C2CCCC2)CC[C@]12CC[N@H+](Cc1cc(F)ccc1[O-])C2 ZINC001273286056 1265478754 /nfs/dbraw/zinc/47/87/54/1265478754.db2.gz YARSXTLSZIFVJF-IBGZPJMESA-N 0 3 332.419 2.898 20 10 EFCDHN COCCn1cc(CNCc2cc(OC)cc(C(C)(C)C)c2O)cn1 ZINC000850284213 1250397782 /nfs/dbraw/zinc/39/77/82/1250397782.db2.gz AQTDSRGRCDCGSY-UHFFFAOYSA-N 0 3 347.459 2.831 20 10 EFCDHN CC(C)n1cc(CNCc2ccc(N3CCC(O)CC3)cc2)cn1 ZINC000850405759 1250468400 /nfs/dbraw/zinc/46/84/00/1250468400.db2.gz CJVQBUBWPPALBL-UHFFFAOYSA-N 0 3 328.460 2.715 20 10 EFCDHN OC1CCN(c2ccc(CNCc3cnc4ccccn34)cc2)CC1 ZINC000850406191 1250470316 /nfs/dbraw/zinc/47/03/16/1250470316.db2.gz WIHJTRRZXBPPCT-UHFFFAOYSA-N 0 3 336.439 2.585 20 10 EFCDHN O=C1NCCCN1c1ccc(CNCc2ccc3c(c2)CCO3)cc1 ZINC000850413290 1250473720 /nfs/dbraw/zinc/47/37/20/1250473720.db2.gz KIWKUICBZJXTKM-UHFFFAOYSA-N 0 3 337.423 2.831 20 10 EFCDHN OCC1CCN(c2ccc(CN[C@H]3CCCn4nccc43)cc2)CC1 ZINC000850426229 1250481307 /nfs/dbraw/zinc/48/13/07/1250481307.db2.gz BROKVDIBSWAFCC-IBGZPJMESA-N 0 3 340.471 2.717 20 10 EFCDHN C[C@H](N[C@H]1CCCn2nccc21)c1ccc(N2CCOCC2)cc1 ZINC000850428138 1250486178 /nfs/dbraw/zinc/48/61/78/1250486178.db2.gz KQPXLKHRKKCIPM-YJBOKZPZSA-N 0 3 326.444 2.905 20 10 EFCDHN COc1ccc(N2C[C@H]([NH2+][C@H](C)c3cc(F)ccc3[O-])CC2=O)cc1 ZINC000850516098 1250520197 /nfs/dbraw/zinc/52/01/97/1250520197.db2.gz SLIDONFHKCOEDL-TZMCWYRMSA-N 0 3 344.386 2.996 20 10 EFCDHN C[C@@H]1C[C@H]([NH2+]C2CCN([C@H]3CCOC3)CC2)c2c1c(F)ccc2[O-] ZINC000850557746 1250536346 /nfs/dbraw/zinc/53/63/46/1250536346.db2.gz SDWBYCLMQHGQTN-INWMFGNUSA-N 0 3 334.435 2.923 20 10 EFCDHN CC[C@@H](NCc1ccc(N2CCC(O)CC2)cc1)c1cnn(C)c1 ZINC000850566375 1250538866 /nfs/dbraw/zinc/53/88/66/1250538866.db2.gz MWMNUWWONSUDAD-LJQANCHMSA-N 0 3 328.460 2.622 20 10 EFCDHN Cc1nn(C)cc1[C@H](C)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000850566652 1250539424 /nfs/dbraw/zinc/53/94/24/1250539424.db2.gz QLJOZDUMRZXOEN-AWEZNQCLSA-N 0 3 328.460 2.540 20 10 EFCDHN COc1cc(CNCc2ccc3c(c2)CCCO3)ccc1OCCO ZINC000921555676 1257303267 /nfs/dbraw/zinc/30/32/67/1257303267.db2.gz FUVCQXGSVKKKMQ-UHFFFAOYSA-N 0 3 343.423 2.681 20 10 EFCDHN Cc1ccc(C[NH+]2CCC3(C[C@@H]3C(=O)NCC(F)F)CC2)c([O-])c1 ZINC001272767318 1257728888 /nfs/dbraw/zinc/72/88/88/1257728888.db2.gz ZUXDMTISPHKPDU-CQSZACIVSA-N 0 3 338.398 2.684 20 10 EFCDHN COc1ccnc(N2CCN(Cc3c(O)cccc3Cl)CC2)c1 ZINC000131648546 1260443905 /nfs/dbraw/zinc/44/39/05/1260443905.db2.gz SMXOWVXZEPBHMR-UHFFFAOYSA-N 0 3 333.819 2.771 20 10 EFCDHN CC(C)CN1CCC2(CCN(Cc3ccc(O)c(O)c3)CC2)C1=O ZINC001272903312 1261296325 /nfs/dbraw/zinc/29/63/25/1261296325.db2.gz QKFIPOMUKWSXND-UHFFFAOYSA-N 0 3 332.444 2.568 20 10 EFCDHN Cc1cc(CN2CCC[C@]3(CCN(C)C3=O)CC2)ccc1N(C)C ZINC001273206999 1263357214 /nfs/dbraw/zinc/35/72/14/1263357214.db2.gz WHIZUUCQTBNECV-FQEVSTJZSA-N 0 3 329.488 2.895 20 10 EFCDHN COC(=O)COc1ccccc1CN[C@H](C)c1cc(OC)ccc1O ZINC000922212402 1264968706 /nfs/dbraw/zinc/96/87/06/1264968706.db2.gz FTDXHTPOLNKRNY-CYBMUJFWSA-N 0 3 345.395 2.803 20 10 EFCDHN CCN(CC)c1ccc(CNC(=O)N[C@H]2CCN(C3CC3)C2)cc1F ZINC000734276644 1266934755 /nfs/dbraw/zinc/93/47/55/1266934755.db2.gz GKAVQCMQPNUMAP-HNNXBMFYSA-N 0 3 348.466 2.708 20 10 EFCDHN C[C@@H]([NH2+]Cc1cc(F)ccc1[O-])C(=O)N1c2ccccc2C[C@H]1C ZINC000825113038 1278414917 /nfs/dbraw/zinc/41/49/17/1278414917.db2.gz YUDQSECCHVLCMM-CHWSQXEVSA-N 0 3 328.387 2.987 20 10 EFCDHN CCOc1ccc(C[NH2+]C[C@H](c2nnc[nH]2)c2ccccc2)c([O-])c1 ZINC000825124424 1278420341 /nfs/dbraw/zinc/42/03/41/1278420341.db2.gz PTGBJWLSEFPSLK-KRWDZBQOSA-N 0 3 338.411 2.831 20 10 EFCDHN CCOc1cccc(CN(CCO)Cc2cc3c(cc2O)OCO3)c1 ZINC000825299862 1278497964 /nfs/dbraw/zinc/49/79/64/1278497964.db2.gz QHQCIQRVPRXCCC-UHFFFAOYSA-N 0 3 345.395 2.514 20 10 EFCDHN CCN1CCN(CC(C)(C)[NH2+]Cc2cc(Cl)ccc2[O-])CC1 ZINC000825275680 1278502316 /nfs/dbraw/zinc/50/23/16/1278502316.db2.gz XYXZDIWEEASBTK-UHFFFAOYSA-N 0 3 325.884 2.551 20 10 EFCDHN O=C1C[C@H](NCc2ccc3c(c2)CCO3)CN1[C@@H]1C[C@H]1c1ccccc1 ZINC000742391076 1270018680 /nfs/dbraw/zinc/01/86/80/1270018680.db2.gz BZSZZTOIEJSGGY-SLFFLAALSA-N 0 3 348.446 2.868 20 10 EFCDHN C[NH+]1CCC(CC(=O)NCc2cc(Cl)c3cccnc3c2[O-])CC1 ZINC001143360076 1278591061 /nfs/dbraw/zinc/59/10/61/1278591061.db2.gz VILWGLDTWQOHNL-UHFFFAOYSA-N 0 3 347.846 2.942 20 10 EFCDHN C[C@H]([NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1)c1cc(F)ccc1[O-] ZINC000702566660 1271495388 /nfs/dbraw/zinc/49/53/88/1271495388.db2.gz MTAIQLHCVXGHQO-YWZLYKJASA-N 0 3 344.430 2.819 20 10 EFCDHN C[C@H](NC(=O)CN1[C@@H](C)CC[C@@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000746168358 1271873354 /nfs/dbraw/zinc/87/33/54/1271873354.db2.gz OLMUKZHGFBIVLF-ULQDDVLXSA-N 0 3 345.487 2.573 20 10 EFCDHN CN(Cc1ccc(N2CCOCC2)cc1)Cc1ccc(N(C)C)nc1 ZINC000121324523 1272438817 /nfs/dbraw/zinc/43/88/17/1272438817.db2.gz PKKSFJFVNAPDKR-UHFFFAOYSA-N 0 3 340.471 2.616 20 10 EFCDHN CCOC(=O)[C@H]1CC[C@@H]([NH2+]Cc2cc3ccccc3cc2[O-])CO1 ZINC001169350984 1272840073 /nfs/dbraw/zinc/84/00/73/1272840073.db2.gz WQALDHXFMYYJPR-SJLPKXTDSA-N 0 3 329.396 2.746 20 10 EFCDHN CN1CCC[C@H](C[N@H+](C)Cc2ccc(Br)cc2[O-])C1 ZINC000705213032 1273992947 /nfs/dbraw/zinc/99/29/47/1273992947.db2.gz RPHWTHQUMWLWKM-LBPRGKRZSA-N 0 3 327.266 2.928 20 10 EFCDHN CN1CCC[C@H](C[N@@H+](C)Cc2ccc(Br)cc2[O-])C1 ZINC000705213032 1273992952 /nfs/dbraw/zinc/99/29/52/1273992952.db2.gz RPHWTHQUMWLWKM-LBPRGKRZSA-N 0 3 327.266 2.928 20 10 EFCDHN [O-]c1cc(Br)ccc1C[NH2+][C@H]1CCN2CCCC[C@@H]12 ZINC000691445142 1274055191 /nfs/dbraw/zinc/05/51/91/1274055191.db2.gz OPEBZCOONZHXKZ-KBPBESRZSA-N 0 3 325.250 2.871 20 10 EFCDHN [O-]c1cccc(Br)c1CN[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000706853899 1275052842 /nfs/dbraw/zinc/05/28/42/1275052842.db2.gz KUWNYGMTTCTJST-KBPBESRZSA-N 0 3 325.250 2.871 20 10 EFCDHN [O-]c1cccc(Br)c1CN[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000706853899 1275052849 /nfs/dbraw/zinc/05/28/49/1275052849.db2.gz KUWNYGMTTCTJST-KBPBESRZSA-N 0 3 325.250 2.871 20 10 EFCDHN COc1ccc(N(C)CCN(C)C[C@@H]2CC3(CCC3)C(=O)O2)cc1 ZINC000844400829 1278948257 /nfs/dbraw/zinc/94/82/57/1278948257.db2.gz FKWAYPCRHYRZJQ-KRWDZBQOSA-N 0 3 332.444 2.549 20 10 EFCDHN COc1ccc(N2CCN(CCN(C)Cc3ccccc3)CC2)cc1 ZINC000787732424 1275893586 /nfs/dbraw/zinc/89/35/86/1275893586.db2.gz XTYHTLQNXBQHOU-UHFFFAOYSA-N 0 3 339.483 2.949 20 10 EFCDHN CN(C)c1ccc(CN(C)Cc2ccc3c(c2)oc(=O)n3C)cc1 ZINC000787769854 1275903011 /nfs/dbraw/zinc/90/30/11/1275903011.db2.gz LNSOHIXKVLWALX-UHFFFAOYSA-N 0 3 325.412 2.830 20 10 EFCDHN CC(C)OCC[C@H](O)C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000788274465 1276123965 /nfs/dbraw/zinc/12/39/65/1276123965.db2.gz HODWHAUVXCLENQ-ZWKOTPCHSA-N 0 3 337.460 2.549 20 10 EFCDHN CC(C)OCC[C@H](O)C[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000788274465 1276123968 /nfs/dbraw/zinc/12/39/68/1276123968.db2.gz HODWHAUVXCLENQ-ZWKOTPCHSA-N 0 3 337.460 2.549 20 10 EFCDHN CCN(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-] ZINC000788981729 1276449435 /nfs/dbraw/zinc/44/94/35/1276449435.db2.gz GAFLIQHYVMHCNB-WDEREUQCSA-N 0 3 343.265 2.981 20 10 EFCDHN CCOc1ccc(CN[C@@](C)(CC(=O)OC)c2ccncc2)c(O)c1 ZINC000789554001 1276815672 /nfs/dbraw/zinc/81/56/72/1276815672.db2.gz FETZAQFPPUNEKX-IBGZPJMESA-N 0 3 344.411 2.754 20 10 EFCDHN Cc1nsc(N2CCCN(Cc3ccc(N(C)C)c(C)c3)CC2)n1 ZINC000815053897 1287269948 /nfs/dbraw/zinc/26/99/48/1287269948.db2.gz CPDYPEKDAOSHHY-UHFFFAOYSA-N 0 3 345.516 2.933 20 10 EFCDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2cccc(O)c2O)C1 ZINC000790570246 1277653221 /nfs/dbraw/zinc/65/32/21/1277653221.db2.gz KQBKBHKCXPBOKG-HIFRSBDPSA-N 0 3 326.396 2.663 20 10 EFCDHN COC(=O)c1coc(CNC[C@@H]2CCN(c3ccc(OC)cc3)C2)c1 ZINC000822494769 1289014232 /nfs/dbraw/zinc/01/42/32/1289014232.db2.gz VZQZQPQZAFVTBH-AWEZNQCLSA-N 0 3 344.411 2.691 20 10 EFCDHN COCCc1ccc(OC[C@@H](O)C[NH2+][C@@H](C)c2ccccc2[O-])cc1 ZINC000815081768 1287306216 /nfs/dbraw/zinc/30/62/16/1287306216.db2.gz NWUDIOQGHBBVJL-RDJZCZTQSA-N 0 3 345.439 2.672 20 10 EFCDHN [O-]c1ccc(Cl)c(F)c1CNCC1([NH+]2CCCC2)CCOCC1 ZINC000790959957 1277881116 /nfs/dbraw/zinc/88/11/16/1277881116.db2.gz NHLNHQYTRXGIIP-UHFFFAOYSA-N 0 3 342.842 2.919 20 10 EFCDHN COCCN(C)c1ccc(CNCc2ccc(N(C)C)cc2C)cn1 ZINC000790964991 1277884670 /nfs/dbraw/zinc/88/46/70/1277884670.db2.gz XLBUMSVXGOJKPA-UHFFFAOYSA-N 0 3 342.487 2.828 20 10 EFCDHN CC[C@]1([NH2+]Cc2cc(Br)cc(OC)c2[O-])CCOC1 ZINC000791002376 1277900565 /nfs/dbraw/zinc/90/05/65/1277900565.db2.gz GTXBNZPVWZVZHU-AWEZNQCLSA-N 0 3 330.222 2.822 20 10 EFCDHN CN(C)c1ccc(CN[C@H](CO)CC(F)F)c(C(F)(F)F)c1 ZINC000793186347 1279432070 /nfs/dbraw/zinc/43/20/70/1279432070.db2.gz MFOXTFJKWSVPKM-JTQLQIEISA-N 0 3 326.309 2.877 20 10 EFCDHN COC(=O)c1coc(CNC[C@H]2CCN(c3ccc(OC)cc3)C2)c1 ZINC000822494771 1289014685 /nfs/dbraw/zinc/01/46/85/1289014685.db2.gz VZQZQPQZAFVTBH-CQSZACIVSA-N 0 3 344.411 2.691 20 10 EFCDHN C[C@H](O)CN1CCN(Cc2ccc(N3CCCCC3)cc2)[C@H](C)C1 ZINC000793593250 1279762323 /nfs/dbraw/zinc/76/23/23/1279762323.db2.gz WVDPMMOFJQKEQP-MSOLQXFVSA-N 0 3 331.504 2.564 20 10 EFCDHN COc1ccc(O)c([C@@H](C)NCc2cnc(N3CCCC3)nc2)c1 ZINC000845971798 1279948001 /nfs/dbraw/zinc/94/80/01/1279948001.db2.gz DILMTBITZGAPSF-CYBMUJFWSA-N 0 3 328.416 2.642 20 10 EFCDHN COc1ccc(O)c([C@@H](C)NCc2ccc3c(c2)NC(=O)CO3)c1 ZINC000845973119 1279950581 /nfs/dbraw/zinc/95/05/81/1279950581.db2.gz XTPUNOXBUHSWMY-LLVKDONJSA-N 0 3 328.368 2.583 20 10 EFCDHN COc1cccc([C@@H](C)N[C@@H]2CCN(c3ccccc3F)C2=O)c1O ZINC000846150215 1280038368 /nfs/dbraw/zinc/03/83/68/1280038368.db2.gz BRRYRRITJYWADB-IUODEOHRSA-N 0 3 344.386 2.996 20 10 EFCDHN COc1cccc([C@H](C)N[C@@H](C)C(=O)NCc2ccccc2)c1O ZINC000846142558 1280050848 /nfs/dbraw/zinc/05/08/48/1280050848.db2.gz VKRQRRAXYJPCLF-KBPBESRZSA-N 0 3 328.412 2.756 20 10 EFCDHN C[C@H]1C[C@@H]([NH2+]Cc2cc(=O)n3ccccc3n2)c2c1c(F)ccc2[O-] ZINC000846212719 1280084831 /nfs/dbraw/zinc/08/48/31/1280084831.db2.gz FNFBWBNXLLLFFW-SMDDNHRTSA-N 0 3 339.370 2.877 20 10 EFCDHN C[C@H]1C[C@@H](NCc2cc(=O)n3ccccc3n2)c2c1c(F)ccc2O ZINC000846212719 1280084836 /nfs/dbraw/zinc/08/48/36/1280084836.db2.gz FNFBWBNXLLLFFW-SMDDNHRTSA-N 0 3 339.370 2.877 20 10 EFCDHN CC[C@@H](C)N[C@H](CNC(=O)NCc1ccccc1O)c1ccco1 ZINC000806645043 1281121770 /nfs/dbraw/zinc/12/17/70/1281121770.db2.gz RGVNURNGRCOZOE-UKRRQHHQSA-N 0 3 331.416 2.914 20 10 EFCDHN O=C(Nc1ccc(OCC[NH+]2CCCC2)cc1)c1cccc(O)c1[O-] ZINC001148218732 1281457503 /nfs/dbraw/zinc/45/75/03/1281457503.db2.gz JAHKCMMALLZBIZ-UHFFFAOYSA-N 0 3 342.395 2.825 20 10 EFCDHN O=C(CCC(F)(F)F)N1CCC[C@@H]([NH2+]Cc2ccccc2[O-])C1 ZINC000808422175 1281709186 /nfs/dbraw/zinc/70/91/86/1281709186.db2.gz GRYHIYPAAMZVRE-CYBMUJFWSA-N 0 3 330.350 2.815 20 10 EFCDHN CNC(=O)[C@H](CCSC)NCc1ccc(N2CCCCC2)cc1 ZINC000808437248 1281711174 /nfs/dbraw/zinc/71/11/74/1281711174.db2.gz JZNUTFNSESNDAA-KRWDZBQOSA-N 0 3 335.517 2.634 20 10 EFCDHN CCNC(=O)N1CC[C@H]([NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])C1 ZINC000808706723 1281867629 /nfs/dbraw/zinc/86/76/29/1281867629.db2.gz RWDRXZITOZLNEI-YPMHNXCESA-N 0 3 325.840 2.808 20 10 EFCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H]2CCCCS2(=O)=O)c1[O-] ZINC000808713093 1281870043 /nfs/dbraw/zinc/87/00/43/1281870043.db2.gz KFQYQUOYWVMAKG-DGCLKSJQSA-N 0 3 331.865 2.972 20 10 EFCDHN CCC[C@](C)(CO)[NH2+]Cc1cc(Br)cc(OC)c1[O-] ZINC000124075501 1287557628 /nfs/dbraw/zinc/55/76/28/1287557628.db2.gz RCEOGUCNNJBJPI-CQSZACIVSA-N 0 3 332.238 2.804 20 10 EFCDHN CCN(CC)c1ccc(CN2C[C@H](N3CCOCC3)C[C@@H]2C)cc1F ZINC000809700796 1282388872 /nfs/dbraw/zinc/38/88/72/1282388872.db2.gz OIEQXZFWDUGTHX-FUHWJXTLSA-N 0 3 349.494 2.967 20 10 EFCDHN CCN(CC)c1ccc(CN2C[C@@H](N3CCOCC3)C[C@H]2C)cc1F ZINC000809700795 1282390841 /nfs/dbraw/zinc/39/08/41/1282390841.db2.gz OIEQXZFWDUGTHX-AEFFLSMTSA-N 0 3 349.494 2.967 20 10 EFCDHN CCOc1ccc(O)c(CN2CCCC[C@@H]2COC(=O)N(C)C)c1 ZINC000809710507 1282421379 /nfs/dbraw/zinc/42/13/79/1282421379.db2.gz ZEXZKHUJIYVVRN-OAHLLOKOSA-N 0 3 336.432 2.844 20 10 EFCDHN Cc1cc(Br)c([O-])c(C[N@@H+](C)CCN(C)C2CC2)c1 ZINC000809754678 1282456594 /nfs/dbraw/zinc/45/65/94/1282456594.db2.gz MFYPQPBLQOICNU-UHFFFAOYSA-N 0 3 327.266 2.989 20 10 EFCDHN Cc1cc(Br)c([O-])c(C[N@H+](C)CCN(C)C2CC2)c1 ZINC000809754678 1282456600 /nfs/dbraw/zinc/45/66/00/1282456600.db2.gz MFYPQPBLQOICNU-UHFFFAOYSA-N 0 3 327.266 2.989 20 10 EFCDHN Cc1cc(Br)c([O-])c(CN(C)CC[N@H+](C)C2CC2)c1 ZINC000809754678 1282456605 /nfs/dbraw/zinc/45/66/05/1282456605.db2.gz MFYPQPBLQOICNU-UHFFFAOYSA-N 0 3 327.266 2.989 20 10 EFCDHN Cc1cc(Br)c([O-])c(CN(C)CC[N@@H+](C)C2CC2)c1 ZINC000809754678 1282456611 /nfs/dbraw/zinc/45/66/11/1282456611.db2.gz MFYPQPBLQOICNU-UHFFFAOYSA-N 0 3 327.266 2.989 20 10 EFCDHN CCC[C@@]1(CO)CCN(Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000809790788 1282490881 /nfs/dbraw/zinc/49/08/81/1282490881.db2.gz OKRHYMCSKJGAAO-LJQANCHMSA-N 0 3 336.451 2.647 20 10 EFCDHN C[C@H]([NH2+]C[C@H](O)CN1CCCC1)c1cccc(C(F)(F)F)c1[O-] ZINC000815563482 1287596298 /nfs/dbraw/zinc/59/62/98/1287596298.db2.gz DKDCZMIUJORZCX-RYUDHWBXSA-N 0 3 332.366 2.518 20 10 EFCDHN CN(C)c1ccc(CN2CCCC[C@H]2COC(=O)NC2CC2)cc1 ZINC000810038774 1282801491 /nfs/dbraw/zinc/80/14/91/1282801491.db2.gz ZNEXUGRFAWCBGK-SFHVURJKSA-N 0 3 331.460 2.996 20 10 EFCDHN COC[C@@]1(C[NH2+]Cc2c([O-])cccc2OC)OCCc2ccccc21 ZINC000810158122 1282987466 /nfs/dbraw/zinc/98/74/66/1282987466.db2.gz HXLRULOJFWSKDK-HXUWFJFHSA-N 0 3 343.423 2.605 20 10 EFCDHN C[C@H]1C[C@@H]([NH2+]Cc2ccc(CC(N)=O)cc2)c2c1c(F)ccc2[O-] ZINC000810242040 1283094966 /nfs/dbraw/zinc/09/49/66/1283094966.db2.gz JEVXWGKPNXZKHS-XHDPSFHLSA-N 0 3 328.387 2.897 20 10 EFCDHN CCOc1ccc(C[NH2+][C@H]2CC(=O)N(c3ccccc3F)C2)c([O-])c1 ZINC000812782928 1285416571 /nfs/dbraw/zinc/41/65/71/1285416571.db2.gz PJZLKSBILYIZEO-AWEZNQCLSA-N 0 3 344.386 2.825 20 10 EFCDHN COc1ccc(-n2c(C)cc(C(=O)OCC(C)[N+](=O)[O-])c2C)cc1 ZINC000813101827 1285652302 /nfs/dbraw/zinc/65/23/02/1285652302.db2.gz JKMHGEWKYWVFQH-LBPRGKRZSA-N 0 3 332.356 2.925 20 10 EFCDHN CC[N@H+](Cc1ccccc1[O-])[C@H]1CC(=O)N(C(=O)OC(C)(C)C)C1 ZINC001171718446 1285739126 /nfs/dbraw/zinc/73/91/26/1285739126.db2.gz UXXHHPNHQRWMRD-AWEZNQCLSA-N 0 3 334.416 2.750 20 10 EFCDHN CC[N@@H+](Cc1ccccc1[O-])[C@H]1CC(=O)N(C(=O)OC(C)(C)C)C1 ZINC001171718446 1285739135 /nfs/dbraw/zinc/73/91/35/1285739135.db2.gz UXXHHPNHQRWMRD-AWEZNQCLSA-N 0 3 334.416 2.750 20 10 EFCDHN COCC(C)(C)C[NH2+]Cc1cc(Br)cc(OC)c1[O-] ZINC000813789683 1286119144 /nfs/dbraw/zinc/11/91/44/1286119144.db2.gz AYLJWBVBGMMKPY-UHFFFAOYSA-N 0 3 332.238 2.926 20 10 EFCDHN CCc1nc(C)c(CNCc2ccc(N3CCN(C)CC3)cc2)o1 ZINC000813795092 1286122012 /nfs/dbraw/zinc/12/20/12/1286122012.db2.gz DVCZLXVQCDONNK-UHFFFAOYSA-N 0 3 328.460 2.587 20 10 EFCDHN COC(=O)[C@@H]1CCC[C@@H](N2CCN(c3ccc(OC)cc3C)CC2)C1 ZINC001172638363 1286215470 /nfs/dbraw/zinc/21/54/70/1286215470.db2.gz WTNNVXHROHJPSV-IAGOWNOFSA-N 0 3 346.471 2.857 20 10 EFCDHN COc1ccc(N2CCN([C@H]3CCc4ncsc4C3)CC2)cc1 ZINC001173131239 1286418725 /nfs/dbraw/zinc/41/87/25/1286418725.db2.gz BQFIZZISASFGNQ-HNNXBMFYSA-N 0 3 329.469 2.831 20 10 EFCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]CC1(CO)CCOCC1 ZINC000747923865 1286437763 /nfs/dbraw/zinc/43/77/63/1286437763.db2.gz OGBRCTUZPDRQBO-UHFFFAOYSA-N 0 3 327.424 2.938 20 10 EFCDHN COc1ccc(C(=O)N2CCC([NH2+]Cc3ccccc3[O-])CC2)cc1 ZINC001173398493 1286559342 /nfs/dbraw/zinc/55/93/42/1286559342.db2.gz LSGQXDYODMPUKU-UHFFFAOYSA-N 0 3 340.423 2.795 20 10 EFCDHN Cc1cnccc1Nc1c(N)ccc2c1C(=O)c1ccccc1C2=O ZINC001174539821 1287038400 /nfs/dbraw/zinc/03/84/00/1287038400.db2.gz SGYIJTVHGGXUTG-UHFFFAOYSA-N 0 3 329.359 2.913 20 10 EFCDHN Cc1nccnc1N1CC[NH+](Cc2ccc3ccccc3c2[O-])CC1 ZINC000816599241 1288219221 /nfs/dbraw/zinc/21/92/21/1288219221.db2.gz GZHAERFJHGPNSR-UHFFFAOYSA-N 0 3 334.423 2.966 20 10 EFCDHN CN1CCN(c2ccc(CN3C[C@]4(CCCO4)[C@H]3C3CC3)cc2)CC1 ZINC000816666292 1288235487 /nfs/dbraw/zinc/23/54/87/1288235487.db2.gz JLXQTSPBEXLLCR-NHCUHLMSSA-N 0 3 341.499 2.582 20 10 EFCDHN COc1cc(Br)cc(CN2CCC[C@@H](CO)CC2)c1O ZINC000816666524 1288236352 /nfs/dbraw/zinc/23/63/52/1288236352.db2.gz OZKRJBRLLBOEIG-LLVKDONJSA-N 0 3 344.249 2.758 20 10 EFCDHN COC(=O)c1c(CN2CC[C@@](C)(O)[C@H](C)C2)c2ccccc2n1C ZINC001232402356 1312693819 /nfs/dbraw/zinc/69/38/19/1312693819.db2.gz MBJAJMDMMNATIY-BFUOFWGJSA-N 0 3 330.428 2.558 20 10 EFCDHN COC(=O)c1c(CN2CC[C@H]3OCCC[C@@H]3C2)c2ccccc2n1C ZINC001232401654 1312693864 /nfs/dbraw/zinc/69/38/64/1312693864.db2.gz ANCRZVBVTHGREV-RDTXWAMCSA-N 0 3 342.439 2.966 20 10 EFCDHN COC(=O)c1c(CN2CCC[C@H](C)[C@@H]2CO)c2ccccc2n1C ZINC001232401894 1312694386 /nfs/dbraw/zinc/69/43/86/1312694386.db2.gz FWNIYBXDGVOKPM-GUYCJALGSA-N 0 3 330.428 2.558 20 10 EFCDHN COc1cc([C@H](C)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)on1 ZINC000903448386 1312694612 /nfs/dbraw/zinc/69/46/12/1312694612.db2.gz OFZLWXPNKWPQOV-XJKSGUPXSA-N 0 3 332.448 2.703 20 10 EFCDHN COC(=O)c1c(CN2CC(N3CCCCC3)C2)c2ccccc2n1C ZINC001232406856 1312695677 /nfs/dbraw/zinc/69/56/77/1312695677.db2.gz ZYPLZFPADVSJDX-UHFFFAOYSA-N 0 3 341.455 2.635 20 10 EFCDHN COC(=O)c1cccc2[nH]nc(CN(C)Cc3ccccc3O)c21 ZINC001232440199 1312705084 /nfs/dbraw/zinc/70/50/84/1312705084.db2.gz UJULLSLQDOTBKK-UHFFFAOYSA-N 0 3 325.368 2.687 20 10 EFCDHN COc1ccc(CNCc2cccc(CO)c2)cc1Cn1cccn1 ZINC000873046256 1289538294 /nfs/dbraw/zinc/53/82/94/1289538294.db2.gz NZFUBSQJMNCEQV-UHFFFAOYSA-N 0 3 337.423 2.722 20 10 EFCDHN COc1ccc(CNC[C@@H](O)c2ccc(C)o2)cc1Cn1cccn1 ZINC000873060423 1289545866 /nfs/dbraw/zinc/54/58/66/1289545866.db2.gz IASAELAOXYFJLV-QGZVFWFLSA-N 0 3 341.411 2.665 20 10 EFCDHN CCCOc1ccc(CNCC2(CS(C)(=O)=O)CC2)cc1C ZINC000873072079 1289553132 /nfs/dbraw/zinc/55/31/32/1289553132.db2.gz STJJJMCJYSWCDI-UHFFFAOYSA-N 0 3 325.474 2.698 20 10 EFCDHN C[C@H]1CN(Cc2ccc(O)cc2O)CCN(C(=O)OC(C)(C)C)C1 ZINC001204277229 1289604534 /nfs/dbraw/zinc/60/45/34/1289604534.db2.gz WVXNMEUFGXPMOE-ZDUSSCGKSA-N 0 3 336.432 2.787 20 10 EFCDHN CCOC(=O)[C@H]1C[N@H+](Cc2c([O-])ccc3ccccc32)CC12COC2 ZINC000824489259 1289665982 /nfs/dbraw/zinc/66/59/82/1289665982.db2.gz IHBTYBZAZPNEKM-QGZVFWFLSA-N 0 3 341.407 2.557 20 10 EFCDHN CCOC(=O)[C@H]1C[N@@H+](Cc2c([O-])ccc3ccccc32)CC12COC2 ZINC000824489259 1289665992 /nfs/dbraw/zinc/66/59/92/1289665992.db2.gz IHBTYBZAZPNEKM-QGZVFWFLSA-N 0 3 341.407 2.557 20 10 EFCDHN CC(C)[N@@H+]1CC[C@H](C(=O)NCc2cc(Cl)c3cccnc3c2[O-])C1 ZINC001181982776 1290021401 /nfs/dbraw/zinc/02/14/01/1290021401.db2.gz RRQNHBGJBIXSNP-LBPRGKRZSA-N 0 3 347.846 2.940 20 10 EFCDHN CC(C)[N@H+]1CC[C@H](C(=O)NCc2cc(Cl)c3cccnc3c2[O-])C1 ZINC001181982776 1290021409 /nfs/dbraw/zinc/02/14/09/1290021409.db2.gz RRQNHBGJBIXSNP-LBPRGKRZSA-N 0 3 347.846 2.940 20 10 EFCDHN C[NH+]1CCC(C)(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])CC1 ZINC001181990000 1290025838 /nfs/dbraw/zinc/02/58/38/1290025838.db2.gz GXOFQQGCJZGMKV-UHFFFAOYSA-N 0 3 347.846 2.942 20 10 EFCDHN C[C@@H](NC(=O)CN(C)CC(C)(C)C)c1ccc(N2CCOCC2)cc1 ZINC000874196980 1290225987 /nfs/dbraw/zinc/22/59/87/1290225987.db2.gz CDKLMBOUDYAQHR-MRXNPFEDSA-N 0 3 347.503 2.678 20 10 EFCDHN Cc1ccc2c(n1)N(C)CCN(Cc1ccc(N(C)C)cc1O)C2 ZINC001232837723 1312792412 /nfs/dbraw/zinc/79/24/12/1312792412.db2.gz APEDVEMVPXHRIG-UHFFFAOYSA-N 0 3 326.444 2.614 20 10 EFCDHN C[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)Cc1ccccc1[O-] ZINC000876615801 1290956653 /nfs/dbraw/zinc/95/66/53/1290956653.db2.gz LMOGWBLPZWCXIF-UHFFFAOYSA-N 0 3 326.440 2.985 20 10 EFCDHN C[N@@H+](Cc1ccc(N2CCC(O)CC2)cc1)Cc1ccccc1[O-] ZINC000876615801 1290956659 /nfs/dbraw/zinc/95/66/59/1290956659.db2.gz LMOGWBLPZWCXIF-UHFFFAOYSA-N 0 3 326.440 2.985 20 10 EFCDHN Cc1ccc(C)n1-c1ccc(O)c(C(=O)N(C)CCN2CCCC2)c1 ZINC001186839239 1291020469 /nfs/dbraw/zinc/02/04/69/1291020469.db2.gz APWDJIOJIXPUHC-UHFFFAOYSA-N 0 3 341.455 2.968 20 10 EFCDHN CCc1cc(N2CCC([NH2+]Cc3ccc(C)cc3[O-])CC2)ncn1 ZINC000877079699 1291128057 /nfs/dbraw/zinc/12/80/57/1291128057.db2.gz JFXIICWVRHZINF-UHFFFAOYSA-N 0 3 326.444 2.812 20 10 EFCDHN Cc1cccc(O)c1CN1CCN(c2nccc(C(C)C)n2)CC1 ZINC000877392251 1291220689 /nfs/dbraw/zinc/22/06/89/1291220689.db2.gz QNMZPDFOZSFSBI-UHFFFAOYSA-N 0 3 326.444 2.936 20 10 EFCDHN COC(=O)[C@@]1(C)C[N@H+](Cc2cc(Cl)cc(OC)c2[O-])C[C@@H]1C ZINC000877666339 1291321265 /nfs/dbraw/zinc/32/12/65/1291321265.db2.gz HBYVAWSBYSYTDF-QFYYESIMSA-N 0 3 327.808 2.685 20 10 EFCDHN COC(=O)[C@@]1(C)C[N@@H+](Cc2cc(Cl)cc(OC)c2[O-])C[C@@H]1C ZINC000877666339 1291321273 /nfs/dbraw/zinc/32/12/73/1291321273.db2.gz HBYVAWSBYSYTDF-QFYYESIMSA-N 0 3 327.808 2.685 20 10 EFCDHN COc1ccc(N2CCN(CCC3CCOCC3)CC2)c(OC)c1 ZINC000877708140 1291338046 /nfs/dbraw/zinc/33/80/46/1291338046.db2.gz BIHWKFKBRSOKTN-UHFFFAOYSA-N 0 3 334.460 2.643 20 10 EFCDHN C[C@H](C[NH2+]Cc1cc(F)ccc1[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000877728192 1291344683 /nfs/dbraw/zinc/34/46/83/1291344683.db2.gz BWOZAASCHFUFCA-GFCCVEGCSA-N 0 3 337.416 2.828 20 10 EFCDHN Cc1cc(Br)cc(C[N@H+](C)CCC2OCCO2)c1[O-] ZINC001233110002 1312856350 /nfs/dbraw/zinc/85/63/50/1312856350.db2.gz NRCGZMYTZVRHLU-UHFFFAOYSA-N 0 3 330.222 2.658 20 10 EFCDHN Cc1cc(Br)cc(C[N@@H+](C)CCC2OCCO2)c1[O-] ZINC001233110002 1312856354 /nfs/dbraw/zinc/85/63/54/1312856354.db2.gz NRCGZMYTZVRHLU-UHFFFAOYSA-N 0 3 330.222 2.658 20 10 EFCDHN CCOC(=O)[C@@H]1CCN(Cc2cc(Br)cc(C)c2O)C1 ZINC001233110302 1312856721 /nfs/dbraw/zinc/85/67/21/1312856721.db2.gz KVJVLEXCYHFIJX-LLVKDONJSA-N 0 3 342.233 2.848 20 10 EFCDHN COc1cc(Br)cc(C[NH2+][C@@H](CO)C(C)(C)C)c1[O-] ZINC000775199823 1291480968 /nfs/dbraw/zinc/48/09/68/1291480968.db2.gz KKOUUTYLQSXNHL-LBPRGKRZSA-N 0 3 332.238 2.660 20 10 EFCDHN CCCN1CCN(Cc2cc(Br)c(OC)cc2O)CC1 ZINC001233140383 1312864797 /nfs/dbraw/zinc/86/47/97/1312864797.db2.gz HNDSYRAXIPUYQA-UHFFFAOYSA-N 0 3 343.265 2.691 20 10 EFCDHN CCN1CCN(Cc2cc(Br)c(OC)cc2O)C[C@H]1C ZINC001233142970 1312865820 /nfs/dbraw/zinc/86/58/20/1312865820.db2.gz TVLFEYBAKPTWPU-LLVKDONJSA-N 0 3 343.265 2.689 20 10 EFCDHN CCOCCN1CCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000127426361 1291880716 /nfs/dbraw/zinc/88/07/16/1291880716.db2.gz YLGIFBJQCWACSK-UHFFFAOYSA-N 0 3 331.504 2.831 20 10 EFCDHN CCOC(=O)c1c(CN2CC[C@@H](O)[C@@H](C)CC2)c2ccccc2n1C ZINC001233270231 1312889232 /nfs/dbraw/zinc/88/92/32/1312889232.db2.gz FZTULVVWCXLZFH-KBXCAEBGSA-N 0 3 344.455 2.948 20 10 EFCDHN CCOC(=O)c1c(CN2C[C@@H](CO)CC[C@@H]2C)c2ccccc2n1C ZINC001233270404 1312890193 /nfs/dbraw/zinc/89/01/93/1312890193.db2.gz MOUZPESULBVATD-GJZGRUSLSA-N 0 3 344.455 2.948 20 10 EFCDHN COc1ccc(O)c([C@H](C)NCC(=O)NCCCc2ccccc2)c1 ZINC000775370800 1292082088 /nfs/dbraw/zinc/08/20/88/1292082088.db2.gz RWTPRBJUEGGJOI-HNNXBMFYSA-N 0 3 342.439 2.800 20 10 EFCDHN COc1ccc(O)c([C@H](C)N[C@H](C)C(=O)NCCc2ccccc2)c1 ZINC000775372508 1292102962 /nfs/dbraw/zinc/10/29/62/1292102962.db2.gz CRCZPVPGVBWCOK-LSDHHAIUSA-N 0 3 342.439 2.799 20 10 EFCDHN CC[C@@H]([NH2+]CC(=O)NCCc1ccccc1OC)c1ccccc1[O-] ZINC000775414559 1292336862 /nfs/dbraw/zinc/33/68/62/1292336862.db2.gz IACMXHFBRCQASF-QGZVFWFLSA-N 0 3 342.439 2.800 20 10 EFCDHN Oc1cc(O)c(CN2CCC[C@@H](Sc3ccncc3)C2)cc1O ZINC001233486027 1312940166 /nfs/dbraw/zinc/94/01/66/1312940166.db2.gz VDJGWVHIVPLWEX-CQSZACIVSA-N 0 3 332.425 2.955 20 10 EFCDHN CC(C)c1noc([C@H]2CCCN(Cc3cc(O)c(O)cc3O)C2)n1 ZINC001233486392 1312940217 /nfs/dbraw/zinc/94/02/17/1312940217.db2.gz LOVONCUBRDSEKP-NSHDSACASA-N 0 3 333.388 2.689 20 10 EFCDHN CC[C@@H]([NH2+]Cc1cccc(OCC(=O)NC)c1)c1ccccc1[O-] ZINC000775491257 1292695140 /nfs/dbraw/zinc/69/51/40/1292695140.db2.gz GQDIQHJEVRPUCT-QGZVFWFLSA-N 0 3 328.412 2.758 20 10 EFCDHN CC[C@@H]([NH2+]C[C@H](C)CN1CCN(C)CC1)c1cc(Cl)ccc1[O-] ZINC000775498099 1292752190 /nfs/dbraw/zinc/75/21/90/1292752190.db2.gz HDMNJNUIWLACTE-WMLDXEAASA-N 0 3 339.911 2.970 20 10 EFCDHN COC(=O)c1ccc(CN2CCc3cccc(O)c3C2)cc1OC ZINC001233534451 1312952201 /nfs/dbraw/zinc/95/22/01/1312952201.db2.gz SCNUSQMNWXWUQB-UHFFFAOYSA-N 0 3 327.380 2.746 20 10 EFCDHN Cc1cc(C(=O)Cn2cc([C@H](C)N)nn2)c(C)n1-c1cccc(C)c1 ZINC000881228399 1292792251 /nfs/dbraw/zinc/79/22/51/1292792251.db2.gz UUCRYPADCGFKFW-AWEZNQCLSA-N 0 3 337.427 2.897 20 10 EFCDHN [O-]c1ccccc1C[NH+]1CCC2(C[C@H](c3cncnc3)CO2)CC1 ZINC001203551553 1312954418 /nfs/dbraw/zinc/95/44/18/1312954418.db2.gz IAQZUHVJBYCDHN-INIZCTEOSA-N 0 3 325.412 2.721 20 10 EFCDHN O=C(c1cccc(F)c1)N1CC[C@H]2C[N@@H+](Cc3ccccc3[O-])C[C@H]21 ZINC001203552233 1312954773 /nfs/dbraw/zinc/95/47/73/1312954773.db2.gz FVHWMSMUQHNFMU-MAUKXSAKSA-N 0 3 340.398 2.878 20 10 EFCDHN O=C(c1cccc(F)c1)N1CC[C@H]2C[N@H+](Cc3ccccc3[O-])C[C@H]21 ZINC001203552233 1312954776 /nfs/dbraw/zinc/95/47/76/1312954776.db2.gz FVHWMSMUQHNFMU-MAUKXSAKSA-N 0 3 340.398 2.878 20 10 EFCDHN C[N@@H+](Cc1ccccc1[O-])C[C@H]1CN(Cc2ccccc2)CCO1 ZINC001203561529 1312956442 /nfs/dbraw/zinc/95/64/42/1312956442.db2.gz VUWVPHISXCWEQP-IBGZPJMESA-N 0 3 326.440 2.725 20 10 EFCDHN C[N@H+](Cc1ccccc1[O-])C[C@H]1CN(Cc2ccccc2)CCO1 ZINC001203561529 1312956446 /nfs/dbraw/zinc/95/64/46/1312956446.db2.gz VUWVPHISXCWEQP-IBGZPJMESA-N 0 3 326.440 2.725 20 10 EFCDHN [O-]c1ccccc1C[N@@H+]1CC[C@H](Oc2cc(C(F)(F)F)ncn2)C1 ZINC001203562948 1312957068 /nfs/dbraw/zinc/95/70/68/1312957068.db2.gz QHXNVJIORGLWOS-LBPRGKRZSA-N 0 3 339.317 2.854 20 10 EFCDHN [O-]c1ccccc1C[N@H+]1CC[C@H](Oc2cc(C(F)(F)F)ncn2)C1 ZINC001203562948 1312957070 /nfs/dbraw/zinc/95/70/70/1312957070.db2.gz QHXNVJIORGLWOS-LBPRGKRZSA-N 0 3 339.317 2.854 20 10 EFCDHN COC1CCN(c2ccc(Cn3cc([C@@H](N)C(C)C)nn3)cc2)CC1 ZINC000881379860 1292865464 /nfs/dbraw/zinc/86/54/64/1292865464.db2.gz AWPYNCXTVFXHSH-IBGZPJMESA-N 0 3 343.475 2.597 20 10 EFCDHN CCOC(=O)N1CCC([N@H+](C)Cc2cccc(OCC)c2[O-])CC1 ZINC001203614307 1312971222 /nfs/dbraw/zinc/97/12/22/1312971222.db2.gz VWLHRYYNFVFMOW-UHFFFAOYSA-N 0 3 336.432 2.844 20 10 EFCDHN CCOC(=O)N1CCC([N@@H+](C)Cc2cccc(OCC)c2[O-])CC1 ZINC001203614307 1312971225 /nfs/dbraw/zinc/97/12/25/1312971225.db2.gz VWLHRYYNFVFMOW-UHFFFAOYSA-N 0 3 336.432 2.844 20 10 EFCDHN CCOc1cccc(CN2CC[C@](O)(C(F)(F)F)[C@@H](C)C2)c1O ZINC001203602395 1312968110 /nfs/dbraw/zinc/96/81/10/1312968110.db2.gz UEBWOMMTQFKABY-XHDPSFHLSA-N 0 3 333.350 2.926 20 10 EFCDHN COc1cccc(CN2CC[C@H](N3Cc4ccccc4C3=O)C2)c1O ZINC001203601971 1312968398 /nfs/dbraw/zinc/96/83/98/1312968398.db2.gz UMSKALXTCRTDQW-INIZCTEOSA-N 0 3 338.407 2.631 20 10 EFCDHN COc1ccc(C[N@@H+]2CCc3ncnc(OC(C)C)c3CC2)c([O-])c1 ZINC001203622147 1312972980 /nfs/dbraw/zinc/97/29/80/1312972980.db2.gz QTEFHLPAHCSHNU-UHFFFAOYSA-N 0 3 343.427 2.579 20 10 EFCDHN COc1ccc(C[N@H+]2CCc3ncnc(OC(C)C)c3CC2)c([O-])c1 ZINC001203622147 1312972983 /nfs/dbraw/zinc/97/29/83/1312972983.db2.gz QTEFHLPAHCSHNU-UHFFFAOYSA-N 0 3 343.427 2.579 20 10 EFCDHN COc1ccc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)OC(C)(C)C)[C@@H]3C2)c([O-])c1 ZINC001203620999 1312973099 /nfs/dbraw/zinc/97/30/99/1312973099.db2.gz MWBSZJPRTKUNGL-PHZGNYQRSA-N 0 3 348.443 2.603 20 10 EFCDHN COc1ccc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)OC(C)(C)C)[C@@H]3C2)c([O-])c1 ZINC001203620999 1312973100 /nfs/dbraw/zinc/97/31/00/1312973100.db2.gz MWBSZJPRTKUNGL-PHZGNYQRSA-N 0 3 348.443 2.603 20 10 EFCDHN COc1ccc(C[N@@H+]2CC[C@H]3O[C@H](c4nc(C)no4)CC[C@H]32)c([O-])c1 ZINC001203622807 1312973813 /nfs/dbraw/zinc/97/38/13/1312973813.db2.gz BXKSUFJWUOWMOY-OIISXLGYSA-N 0 3 345.399 2.587 20 10 EFCDHN COc1ccc(C[N@H+]2CC[C@H]3O[C@H](c4nc(C)no4)CC[C@H]32)c([O-])c1 ZINC001203622807 1312973817 /nfs/dbraw/zinc/97/38/17/1312973817.db2.gz BXKSUFJWUOWMOY-OIISXLGYSA-N 0 3 345.399 2.587 20 10 EFCDHN COC[C@@H]1COCCC12CC[NH+](Cc1ccc(OC)cc1[O-])CC2 ZINC001203628571 1312975651 /nfs/dbraw/zinc/97/56/51/1312975651.db2.gz BSIHJMSWGAULGV-MRXNPFEDSA-N 0 3 335.444 2.666 20 10 EFCDHN COc1ccc(C[N@@H+]2CC[C@@]3(C[C@H](OCC4CC4)CO3)C2)c([O-])c1 ZINC001203629977 1312975721 /nfs/dbraw/zinc/97/57/21/1312975721.db2.gz PMDBLWBOKBUKRZ-PKOBYXMFSA-N 0 3 333.428 2.561 20 10 EFCDHN COc1ccc(C[N@H+]2CC[C@@]3(C[C@H](OCC4CC4)CO3)C2)c([O-])c1 ZINC001203629977 1312975724 /nfs/dbraw/zinc/97/57/24/1312975724.db2.gz PMDBLWBOKBUKRZ-PKOBYXMFSA-N 0 3 333.428 2.561 20 10 EFCDHN COc1ccc(C[N@@H+]2CCC[C@H](Oc3ncccc3OC)C2)c([O-])c1 ZINC001203634961 1312977141 /nfs/dbraw/zinc/97/71/41/1312977141.db2.gz CTEWMEMOIDVJPM-INIZCTEOSA-N 0 3 344.411 2.848 20 10 EFCDHN COc1ccc(C[N@H+]2CCC[C@H](Oc3ncccc3OC)C2)c([O-])c1 ZINC001203634961 1312977144 /nfs/dbraw/zinc/97/71/44/1312977144.db2.gz CTEWMEMOIDVJPM-INIZCTEOSA-N 0 3 344.411 2.848 20 10 EFCDHN COc1ccc(C[N@@H+]2CC[C@H](N3Cc4ccccc4C3=O)C2)c([O-])c1 ZINC001203635184 1312977259 /nfs/dbraw/zinc/97/72/59/1312977259.db2.gz NQWRYHRUNVUKPZ-INIZCTEOSA-N 0 3 338.407 2.631 20 10 EFCDHN COc1ccc(C[N@H+]2CC[C@H](N3Cc4ccccc4C3=O)C2)c([O-])c1 ZINC001203635184 1312977262 /nfs/dbraw/zinc/97/72/62/1312977262.db2.gz NQWRYHRUNVUKPZ-INIZCTEOSA-N 0 3 338.407 2.631 20 10 EFCDHN COc1ccc(CN2CC[C@H](N3Cc4ccccc4C3=O)C2)c(O)c1 ZINC001203635184 1312977263 /nfs/dbraw/zinc/97/72/63/1312977263.db2.gz NQWRYHRUNVUKPZ-INIZCTEOSA-N 0 3 338.407 2.631 20 10 EFCDHN COc1ccc(C[N@@H+]2C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001203634469 1312977465 /nfs/dbraw/zinc/97/74/65/1312977465.db2.gz HNKWXMVQCBWXIU-DOMZBBRYSA-N 0 3 336.432 2.746 20 10 EFCDHN COc1ccc(C[N@H+]2C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001203634469 1312977469 /nfs/dbraw/zinc/97/74/69/1312977469.db2.gz HNKWXMVQCBWXIU-DOMZBBRYSA-N 0 3 336.432 2.746 20 10 EFCDHN COc1ccc(C[N@@H+]2CCC[C@@H](Oc3nccnc3C)C2)c([O-])c1 ZINC001203634937 1312977715 /nfs/dbraw/zinc/97/77/15/1312977715.db2.gz BTWUEOGOJWKWFY-MRXNPFEDSA-N 0 3 329.400 2.543 20 10 EFCDHN COc1ccc(C[N@H+]2CCC[C@@H](Oc3nccnc3C)C2)c([O-])c1 ZINC001203634937 1312977717 /nfs/dbraw/zinc/97/77/17/1312977717.db2.gz BTWUEOGOJWKWFY-MRXNPFEDSA-N 0 3 329.400 2.543 20 10 EFCDHN COc1ccc(C[NH+]2CCC3(CC(=O)N(C(C)C)C3)CC2)c([O-])c1 ZINC001203635366 1312977738 /nfs/dbraw/zinc/97/77/38/1312977738.db2.gz REYPOEXEOAKBEM-UHFFFAOYSA-N 0 3 332.444 2.624 20 10 EFCDHN COc1cc(C(=O)N(C2CCCC2)C2CCN(C)CC2)cc(O)c1O ZINC001193098055 1293166725 /nfs/dbraw/zinc/16/67/25/1293166725.db2.gz PLJGQGBTIQGCFA-UHFFFAOYSA-N 0 3 348.443 2.585 20 10 EFCDHN [O-]c1c(C[NH+]2CCC3(CC2)OCCO3)cccc1OC(F)(F)F ZINC001233736834 1312981597 /nfs/dbraw/zinc/98/15/97/1312981597.db2.gz RQPCITVLYVWHEN-UHFFFAOYSA-N 0 3 333.306 2.630 20 10 EFCDHN COc1ccc(O)c(CN2CCC[C@@H](Oc3cc(C)ncn3)C2)c1 ZINC001203680607 1312988908 /nfs/dbraw/zinc/98/89/08/1312988908.db2.gz ABSUJRQBMIRMMI-MRXNPFEDSA-N 0 3 329.400 2.543 20 10 EFCDHN COC(=O)C[C@H]1CC[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])C1 ZINC001233776072 1312989611 /nfs/dbraw/zinc/98/96/11/1312989611.db2.gz JKTDORMTAWBPEI-SNVBAGLBSA-N 0 3 333.306 2.676 20 10 EFCDHN COC(=O)C[C@H]1CC[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])C1 ZINC001233776072 1312989613 /nfs/dbraw/zinc/98/96/13/1312989613.db2.gz JKTDORMTAWBPEI-SNVBAGLBSA-N 0 3 333.306 2.676 20 10 EFCDHN COc1ccc(O)c(CN2CCC[C@H](Oc3ncc(C)cn3)C2)c1 ZINC001203684156 1312989806 /nfs/dbraw/zinc/98/98/06/1312989806.db2.gz NSMFAGTZQXFKTN-INIZCTEOSA-N 0 3 329.400 2.543 20 10 EFCDHN CCC(=O)N[C@@H]1CCCN(Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001233776166 1312989823 /nfs/dbraw/zinc/98/98/23/1312989823.db2.gz LUWDHSCEEWEKAF-GFCCVEGCSA-N 0 3 346.349 2.781 20 10 EFCDHN CCCN(CC(=O)NC(=O)Nc1ccccc1)Cc1ccccc1O ZINC000130734828 1293427795 /nfs/dbraw/zinc/42/77/95/1293427795.db2.gz AFINHOPMNXBAIQ-UHFFFAOYSA-N 0 3 341.411 2.953 20 10 EFCDHN Oc1ccc(CN2CC[C@@H]3[C@@H](CCN3Cc3nccs3)C2)cc1O ZINC001203876665 1313039371 /nfs/dbraw/zinc/03/93/71/1313039371.db2.gz HBMCRYNVINRPNV-LSDHHAIUSA-N 0 3 345.468 2.651 20 10 EFCDHN CN(Cc1ccc(N2CCOCC2)cc1)Cc1ccc(O)c(O)c1 ZINC001203878148 1313039603 /nfs/dbraw/zinc/03/96/03/1313039603.db2.gz CFMWWJPOUIJUDJ-UHFFFAOYSA-N 0 3 328.412 2.566 20 10 EFCDHN CCOC[C@@H]1COCCC12CCN(Cc1ccc(O)c(O)c1)CC2 ZINC001203878607 1313040027 /nfs/dbraw/zinc/04/00/27/1313040027.db2.gz HYARGCLAPGXYMI-MRXNPFEDSA-N 0 3 335.444 2.753 20 10 EFCDHN CC(C)(C)OC(=O)NCC[C@@H]1CCCN1Cc1ccc(O)c(O)c1 ZINC001203882620 1313040726 /nfs/dbraw/zinc/04/07/26/1313040726.db2.gz NZLYVHLMUFQYBB-AWEZNQCLSA-N 0 3 336.432 2.977 20 10 EFCDHN CN(C)c1ccc(CN2C[C@@H]3CCN(C(=O)c4ccco4)[C@@H]3C2)cc1 ZINC001203933508 1313050708 /nfs/dbraw/zinc/05/07/08/1313050708.db2.gz NXYPBFPUDOUJDN-FUHWJXTLSA-N 0 3 339.439 2.692 20 10 EFCDHN Cc1noc([C@@H]2CC[C@@H]3[C@@H](CCN3Cc3ccc(N(C)C)cc3)O2)n1 ZINC001203931078 1313049429 /nfs/dbraw/zinc/04/94/29/1313049429.db2.gz AZPBUIIACCHEBA-KURKYZTESA-N 0 3 342.443 2.939 20 10 EFCDHN COc1ccnc(O[C@H]2CCCN(Cc3ccc(N(C)C)cc3)C2)n1 ZINC001203937170 1313051461 /nfs/dbraw/zinc/05/14/61/1313051461.db2.gz QUIOBZBTVGJSLX-KRWDZBQOSA-N 0 3 342.443 2.595 20 10 EFCDHN COc1cccc(O[C@@H]2CCN(Cc3ccc(N(C)C)cc3)C2)n1 ZINC001203937419 1313051602 /nfs/dbraw/zinc/05/16/02/1313051602.db2.gz QEULIRBNYQXJJV-QGZVFWFLSA-N 0 3 327.428 2.810 20 10 EFCDHN CN(C)c1ccc(CN2C[C@@H]3CN(C(=O)OC(C)(C)C)[C@H]3C2)cc1 ZINC001203936661 1313051708 /nfs/dbraw/zinc/05/17/08/1313051708.db2.gz IYSWFAPKULONLT-WBVHZDCISA-N 0 3 331.460 2.804 20 10 EFCDHN COc1ccnc(O[C@@H]2CCN(Cc3ccc(N(C)C)cc3)C2)c1 ZINC001203936863 1313051960 /nfs/dbraw/zinc/05/19/60/1313051960.db2.gz PXMZZPWWWYEFIO-GOSISDBHSA-N 0 3 327.428 2.810 20 10 EFCDHN O=C(CNCc1ccc2c(c1)CCN2Cc1ccccc1)NCC1CC1 ZINC000796342478 1294517233 /nfs/dbraw/zinc/51/72/33/1294517233.db2.gz QZAXJHGWYYQSHC-UHFFFAOYSA-N 0 3 349.478 2.865 20 10 EFCDHN CCN1CCCC[C@@H]1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000104146720 1294815699 /nfs/dbraw/zinc/81/56/99/1294815699.db2.gz KDNFNKRNPKIQEO-GOSISDBHSA-N 0 3 347.528 2.730 20 10 EFCDHN CN(C)c1ccc(CN2CCN([C@@H]3CCOC3)CC2)c2ccccc21 ZINC001204233959 1313105390 /nfs/dbraw/zinc/10/53/90/1313105390.db2.gz VEIVGIJKKAPGKY-GOSISDBHSA-N 0 3 339.483 2.812 20 10 EFCDHN COC(=O)[C@@H]1CN(Cc2ccc(N(C)C)c3ccccc23)CCCO1 ZINC001204240181 1313106697 /nfs/dbraw/zinc/10/66/97/1313106697.db2.gz KLLGULHWLCWQAS-IBGZPJMESA-N 0 3 342.439 2.670 20 10 EFCDHN CC(C)(C)OC(=O)NCC12CC(C1)CN2Cc1ccc(O)cc1O ZINC001204276527 1313114075 /nfs/dbraw/zinc/11/40/75/1313114075.db2.gz LVHRBTWXHQUSFZ-UHFFFAOYSA-N 0 3 334.416 2.587 20 10 EFCDHN O=C(C1CC[NH+](Cc2ccc(O)cc2[O-])CC1)N1CCCCCC1 ZINC001204275596 1313114175 /nfs/dbraw/zinc/11/41/75/1313114175.db2.gz WTXLKIUMKOBSTE-UHFFFAOYSA-N 0 3 332.444 2.712 20 10 EFCDHN O=C(N[C@@H]1CCCN(Cc2ccc(O)cc2O)C1)c1cccc(F)c1 ZINC001204278104 1313115113 /nfs/dbraw/zinc/11/51/13/1313115113.db2.gz TUOKEPSACZMSSX-MRXNPFEDSA-N 0 3 344.386 2.631 20 10 EFCDHN O=C1Nc2ncccc2C2(CC[NH+](Cc3ccc(O)cc3[O-])CC2)O1 ZINC001204279176 1313115508 /nfs/dbraw/zinc/11/55/08/1313115508.db2.gz SFYLYUWIYOINRV-UHFFFAOYSA-N 0 3 341.367 2.546 20 10 EFCDHN O=C1OCCN1C1CCN(Cc2ccc(N3CCCC3)cc2)CC1 ZINC001204322207 1313122484 /nfs/dbraw/zinc/12/24/84/1313122484.db2.gz PLTFNPJFGAYTRI-UHFFFAOYSA-N 0 3 329.444 2.703 20 10 EFCDHN CN(C)C(=O)NC1CCN(Cc2ccc(N3CCCC3)cc2)CC1 ZINC001204329253 1313123941 /nfs/dbraw/zinc/12/39/41/1313123941.db2.gz IURQYLHPQILFGP-UHFFFAOYSA-N 0 3 330.476 2.522 20 10 EFCDHN COc1cc(CN2CC[C@@H](N3CCCCC3)[C@@H](F)C2)cc(O)c1O ZINC001204350277 1313127381 /nfs/dbraw/zinc/12/73/81/1313127381.db2.gz FNAUWMMMPYUIMR-LSDHHAIUSA-N 0 3 338.423 2.505 20 10 EFCDHN COc1ccc2ccc([O-])c(C[NH+]3CCC4(C[C@H](O)CO4)CC3)c2c1 ZINC001234526038 1313145866 /nfs/dbraw/zinc/14/58/66/1313145866.db2.gz PFXJBCZMVVEJRH-HNNXBMFYSA-N 0 3 343.423 2.670 20 10 EFCDHN COC[C@]12COC[C@H]1C[N@H+](Cc1c([O-])ccc3ccc(OC)cc31)C2 ZINC001234544969 1313152193 /nfs/dbraw/zinc/15/21/93/1313152193.db2.gz NYMLSIJMZRTRFT-FOIQADDNSA-N 0 3 343.423 2.649 20 10 EFCDHN COC[C@]12COC[C@H]1C[N@@H+](Cc1c([O-])ccc3ccc(OC)cc31)C2 ZINC001234544969 1313152197 /nfs/dbraw/zinc/15/21/97/1313152197.db2.gz NYMLSIJMZRTRFT-FOIQADDNSA-N 0 3 343.423 2.649 20 10 EFCDHN COc1ccc2ccc(O)c(CN3CCN(C(C)=O)[C@@H](C)C3)c2c1 ZINC001234570392 1313160138 /nfs/dbraw/zinc/16/01/38/1313160138.db2.gz ZFTJARBSJIIRPJ-ZDUSSCGKSA-N 0 3 328.412 2.607 20 10 EFCDHN COC(=O)[C@@H]1C[N@H+](Cc2c([O-])ccc3ccc(OC)cc32)CC12CC2 ZINC001234577177 1313161683 /nfs/dbraw/zinc/16/16/83/1313161683.db2.gz AYYLZDOQQUDRAJ-KRWDZBQOSA-N 0 3 341.407 2.939 20 10 EFCDHN COC(=O)[C@@H]1C[N@@H+](Cc2c([O-])ccc3ccc(OC)cc32)CC12CC2 ZINC001234577177 1313161684 /nfs/dbraw/zinc/16/16/84/1313161684.db2.gz AYYLZDOQQUDRAJ-KRWDZBQOSA-N 0 3 341.407 2.939 20 10 EFCDHN CCN1CCN(c2ccc(O[C@H]3CCC[C@H]3C(=O)OC)cc2)CC1 ZINC001234657101 1313178970 /nfs/dbraw/zinc/17/89/70/1313178970.db2.gz BAPAEPROWJXCAM-MSOLQXFVSA-N 0 3 332.444 2.549 20 10 EFCDHN CCOC(=O)C1CC(Oc2ccc(N3CCN(CC)CC3)cc2)C1 ZINC001234657914 1313179286 /nfs/dbraw/zinc/17/92/86/1313179286.db2.gz MFYRZIVHWPQAOQ-UHFFFAOYSA-N 0 3 332.444 2.549 20 10 EFCDHN CCOC(=O)CC1CC(Oc2ccc(N3CCN(CC)CC3)cc2)C1 ZINC001234658160 1313179425 /nfs/dbraw/zinc/17/94/25/1313179425.db2.gz WBJNOSDRCKDJDR-UHFFFAOYSA-N 0 3 346.471 2.939 20 10 EFCDHN CCN1CCN(c2ccc(O[C@@H]3CCCC4(C3)OCCO4)cc2)CC1 ZINC001234661022 1313179929 /nfs/dbraw/zinc/17/99/29/1313179929.db2.gz OMXHZSBUSZPKOT-LJQANCHMSA-N 0 3 346.471 2.893 20 10 EFCDHN NC(=O)NC1CC[NH+](Cc2cccc(-c3ccccc3)c2[O-])CC1 ZINC001234992934 1313219098 /nfs/dbraw/zinc/21/90/98/1313219098.db2.gz TWNCYNVIXPFURC-UHFFFAOYSA-N 0 3 325.412 2.692 20 10 EFCDHN COc1ccc(N2CCCC[C@@]23CC(=O)N(CCN(C)C)C3)c(C)c1 ZINC001274873744 1296197808 /nfs/dbraw/zinc/19/78/08/1296197808.db2.gz ASBBAJIQJXMWQO-FQEVSTJZSA-N 0 3 345.487 2.527 20 10 EFCDHN Cc1cc(CN2CC[C@@H]3CC[NH2+][C@@H]3C2)c([O-])cc1Br ZINC001235022004 1313225810 /nfs/dbraw/zinc/22/58/10/1313225810.db2.gz VBPOMEAHLYOHDJ-SMDDNHRTSA-N 0 3 325.250 2.647 20 10 EFCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@@]2(CN(Cc3ccc[nH]3)CCO2)C1 ZINC001275267427 1296246896 /nfs/dbraw/zinc/24/68/96/1296246896.db2.gz OEEAEWMRXWGYOL-FQEVSTJZSA-N 0 3 341.455 2.587 20 10 EFCDHN [O-]c1ccccc1C[N@H+]1CCC[C@@]2(CN(Cc3ccc[nH]3)CCO2)C1 ZINC001275267427 1296246904 /nfs/dbraw/zinc/24/69/04/1296246904.db2.gz OEEAEWMRXWGYOL-FQEVSTJZSA-N 0 3 341.455 2.587 20 10 EFCDHN Cc1cc([O-])c(CN2CCC[C@]23CC[NH2+]C3)cc1Br ZINC001235116722 1313245347 /nfs/dbraw/zinc/24/53/47/1313245347.db2.gz YQLUQDWQARTGFF-OAHLLOKOSA-N 0 3 325.250 2.791 20 10 EFCDHN C[C@@H](NCc1cc(F)c(N2CCOCC2)c(F)c1)c1cc[nH]c(=O)c1 ZINC000926558324 1296935135 /nfs/dbraw/zinc/93/51/35/1296935135.db2.gz DKVLUHJVTBYNRL-GFCCVEGCSA-N 0 3 349.381 2.753 20 10 EFCDHN COc1cc(Br)cc(C[NH2+][C@@H](C)[C@@H]2CCOC2)c1[O-] ZINC000776219383 1297131471 /nfs/dbraw/zinc/13/14/71/1297131471.db2.gz OLJHMLICCNTEEU-VHSXEESVSA-N 0 3 330.222 2.678 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=O)Nc2ccc(F)nc2)N(C)C)cc1 ZINC000930424211 1297264244 /nfs/dbraw/zinc/26/42/44/1297264244.db2.gz LRDYJYADNLRAIO-MRXNPFEDSA-N 0 3 345.422 2.711 20 10 EFCDHN CC(C)(C)c1ccc(CN2C[C@](O)(C(F)(F)F)C[C@H]2CO)c(O)c1 ZINC001235673895 1313372152 /nfs/dbraw/zinc/37/21/52/1313372152.db2.gz BDMCFQQZYUDMSD-BBRMVZONSA-N 0 3 347.377 2.550 20 10 EFCDHN Cc1cc(C)c(CN2C[C@H]3CC[C@@H](C2)N3C(=O)NC(C)C)c(O)c1 ZINC001276364847 1297791942 /nfs/dbraw/zinc/79/19/42/1297791942.db2.gz GPBBCDBKUORXTO-IYBDPMFKSA-N 0 3 331.460 2.776 20 10 EFCDHN [O-]c1c(CN2CC(O)([C@@H]3CCCC[NH2+]3)C2)cccc1-c1ccccc1 ZINC001236166950 1313450680 /nfs/dbraw/zinc/45/06/80/1313450680.db2.gz VCQKHRSRYKNHSF-IBGZPJMESA-N 0 3 338.451 2.748 20 10 EFCDHN COc1cc([O-])c(CN(C)[C@@H]2CCCC[C@@H]2[NH3+])c(Br)c1 ZINC001236218062 1313457561 /nfs/dbraw/zinc/45/75/61/1313457561.db2.gz RHJYNBXHBADNNY-UONOGXRCSA-N 0 3 343.265 2.865 20 10 EFCDHN [O-]c1ccc(Br)cc1CN(C1CC1)[C@@H]1CCC[NH2+]C1 ZINC001236236204 1313458899 /nfs/dbraw/zinc/45/88/99/1313458899.db2.gz IHERTIILQKELQN-CQSZACIVSA-N 0 3 325.250 2.871 20 10 EFCDHN Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1CCCC[C@](C)(CN)C1 ZINC001206547032 1313473666 /nfs/dbraw/zinc/47/36/66/1313473666.db2.gz ATZJGHQMVJMAKZ-LJQANCHMSA-N 0 3 330.428 2.758 20 10 EFCDHN Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+]1CCCC[C@](C)(CN)C1 ZINC001206547032 1313473669 /nfs/dbraw/zinc/47/36/69/1313473669.db2.gz ATZJGHQMVJMAKZ-LJQANCHMSA-N 0 3 330.428 2.758 20 10 EFCDHN COc1cc(CN2CC[C@@H]3COC[C@@H]3C2)c(O)cc1Br ZINC001236747312 1313520694 /nfs/dbraw/zinc/52/06/94/1313520694.db2.gz JTCVSRRAKWXHML-PWSUYJOCSA-N 0 3 342.233 2.632 20 10 EFCDHN COc1cc(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)c([O-])cc1Br ZINC001236747312 1313520696 /nfs/dbraw/zinc/52/06/96/1313520696.db2.gz JTCVSRRAKWXHML-PWSUYJOCSA-N 0 3 342.233 2.632 20 10 EFCDHN COc1cc(C[N@H+]2CC[C@@H]3COC[C@@H]3C2)c([O-])cc1Br ZINC001236747312 1313520699 /nfs/dbraw/zinc/52/06/99/1313520699.db2.gz JTCVSRRAKWXHML-PWSUYJOCSA-N 0 3 342.233 2.632 20 10 EFCDHN COC[C@@H]1CC[N@H+](Cc2cc(OC)c(Br)cc2[O-])C1 ZINC001236748189 1313520766 /nfs/dbraw/zinc/52/07/66/1313520766.db2.gz MYAOTGZYIOLJIC-SNVBAGLBSA-N 0 3 330.222 2.632 20 10 EFCDHN COC[C@@H]1CC[N@@H+](Cc2cc(OC)c(Br)cc2[O-])C1 ZINC001236748189 1313520769 /nfs/dbraw/zinc/52/07/69/1313520769.db2.gz MYAOTGZYIOLJIC-SNVBAGLBSA-N 0 3 330.222 2.632 20 10 EFCDHN COc1cc(CN2CC[C@]3(CCOC3)C2)c(O)cc1Br ZINC001236749190 1313521819 /nfs/dbraw/zinc/52/18/19/1313521819.db2.gz ZWUWRDZSSXKYNY-HNNXBMFYSA-N 0 3 342.233 2.776 20 10 EFCDHN COc1cc(C[N@@H+]2CC[C@]3(CCOC3)C2)c([O-])cc1Br ZINC001236749190 1313521822 /nfs/dbraw/zinc/52/18/22/1313521822.db2.gz ZWUWRDZSSXKYNY-HNNXBMFYSA-N 0 3 342.233 2.776 20 10 EFCDHN COc1cc(C[N@H+]2CC[C@]3(CCOC3)C2)c([O-])cc1Br ZINC001236749190 1313521825 /nfs/dbraw/zinc/52/18/25/1313521825.db2.gz ZWUWRDZSSXKYNY-HNNXBMFYSA-N 0 3 342.233 2.776 20 10 EFCDHN CCOC(=O)C[C@@H]1CCCN(Cc2cc(OC)c(OC)cc2O)C1 ZINC001236748935 1313522038 /nfs/dbraw/zinc/52/20/38/1313522038.db2.gz CIVDQLQMAIUMLQ-ZDUSSCGKSA-N 0 3 337.416 2.575 20 10 EFCDHN COc1cc(O)c(CN2CC[C@@H](Oc3ncccc3C)C2)cc1OC ZINC001236751291 1313522376 /nfs/dbraw/zinc/52/23/76/1313522376.db2.gz FDTVEVFKQSCUBQ-OAHLLOKOSA-N 0 3 344.411 2.766 20 10 EFCDHN CCOC(=O)CC[N@H+](C)Cc1cc(OC)c(Br)cc1[O-] ZINC001236753177 1313522479 /nfs/dbraw/zinc/52/24/79/1313522479.db2.gz KFRDTVXSAMUQAG-UHFFFAOYSA-N 0 3 346.221 2.548 20 10 EFCDHN CCOC(=O)CC[N@@H+](C)Cc1cc(OC)c(Br)cc1[O-] ZINC001236753177 1313522480 /nfs/dbraw/zinc/52/24/80/1313522480.db2.gz KFRDTVXSAMUQAG-UHFFFAOYSA-N 0 3 346.221 2.548 20 10 EFCDHN COc1cc(C[N@H+](CCCO)C(C)C)c([O-])cc1Br ZINC001236752604 1313522515 /nfs/dbraw/zinc/52/25/15/1313522515.db2.gz DBIBRAFZTZUETE-UHFFFAOYSA-N 0 3 332.238 2.756 20 10 EFCDHN COc1cc(C[N@@H+](CCCO)C(C)C)c([O-])cc1Br ZINC001236752604 1313522518 /nfs/dbraw/zinc/52/25/18/1313522518.db2.gz DBIBRAFZTZUETE-UHFFFAOYSA-N 0 3 332.238 2.756 20 10 EFCDHN COc1cc(O)c(CN2CC[C@H](Oc3ncccc3C)C2)cc1OC ZINC001236751287 1313522545 /nfs/dbraw/zinc/52/25/45/1313522545.db2.gz FDTVEVFKQSCUBQ-HNNXBMFYSA-N 0 3 344.411 2.766 20 10 EFCDHN COc1cc(O)c(CN2CC[C@@H](Oc3cccc(C)n3)C2)cc1OC ZINC001236754852 1313522873 /nfs/dbraw/zinc/52/28/73/1313522873.db2.gz VJBJASLWZNWCSL-OAHLLOKOSA-N 0 3 344.411 2.766 20 10 EFCDHN C[N@H+](CCc1ccccn1)Cc1cc(O)c(Br)cc1[O-] ZINC001236773470 1313525713 /nfs/dbraw/zinc/52/57/13/1313525713.db2.gz QFUAOUMUBWCJLW-UHFFFAOYSA-N 0 3 337.217 2.930 20 10 EFCDHN C[N@@H+](CCc1ccccn1)Cc1cc(O)c(Br)cc1[O-] ZINC001236773470 1313525714 /nfs/dbraw/zinc/52/57/14/1313525714.db2.gz QFUAOUMUBWCJLW-UHFFFAOYSA-N 0 3 337.217 2.930 20 10 EFCDHN CC(=O)N[C@@H]1CCN(Cc2cc(OCc3ccccc3)ccc2O)C1 ZINC001236783119 1313527843 /nfs/dbraw/zinc/52/78/43/1313527843.db2.gz PQHCJEVKGTWRAZ-GOSISDBHSA-N 0 3 340.423 2.682 20 10 EFCDHN CCc1ccc(CN2CCN(CCOC)c3ncccc3C2)c(O)c1 ZINC001236786632 1313528717 /nfs/dbraw/zinc/52/87/17/1313528717.db2.gz ICLQQQSPISTYCQ-UHFFFAOYSA-N 0 3 341.455 2.818 20 10 EFCDHN CCc1ccc(C[NH+]2C[C@@H]3CN(C(=O)c4ccco4)C[C@H]3C2)c([O-])c1 ZINC001236787621 1313528734 /nfs/dbraw/zinc/52/87/34/1313528734.db2.gz LITXBMPWNWJGMZ-IAGOWNOFSA-N 0 3 340.423 2.752 20 10 EFCDHN CCc1ccc(C[N@H+]2C[C@H]3CN(Cc4cccnc4)C[C@H]3C2)c([O-])c1 ZINC001236786435 1313528821 /nfs/dbraw/zinc/52/88/21/1313528821.db2.gz PAHNUTWXCKZBMJ-BGYRXZFFSA-N 0 3 337.467 2.913 20 10 EFCDHN CCc1ccc(C[N@@H+]2C[C@H]3CN(Cc4cccnc4)C[C@H]3C2)c([O-])c1 ZINC001236786435 1313528825 /nfs/dbraw/zinc/52/88/25/1313528825.db2.gz PAHNUTWXCKZBMJ-BGYRXZFFSA-N 0 3 337.467 2.913 20 10 EFCDHN COc1cc(C)c(C[NH+]2CCC3(CCN(C(C)=O)C3)CC2)c([O-])c1 ZINC001236808418 1313533846 /nfs/dbraw/zinc/53/38/46/1313533846.db2.gz PGVPTMDRSOZVQX-UHFFFAOYSA-N 0 3 332.444 2.544 20 10 EFCDHN COC(=O)[C@H]1CN(Cc2c(C)cc(OC)cc2O)Cc2ccccc21 ZINC001236817242 1313535618 /nfs/dbraw/zinc/53/56/18/1313535618.db2.gz DGAUQUQAUOGVKC-SFHVURJKSA-N 0 3 341.407 2.982 20 10 EFCDHN CCN1CCC2(CC[NH+](Cc3c(C)cc(OC)cc3[O-])CC2)C1=O ZINC001236819918 1313536320 /nfs/dbraw/zinc/53/63/20/1313536320.db2.gz HSIMSERMOMPZFV-UHFFFAOYSA-N 0 3 332.444 2.544 20 10 EFCDHN CCCN1CCN(Cc2ccc(N3CCOCC3)cc2Cl)CC1 ZINC001236921352 1313553908 /nfs/dbraw/zinc/55/39/08/1313553908.db2.gz DHZOWKIYYSHECP-UHFFFAOYSA-N 0 3 337.895 2.704 20 10 EFCDHN Clc1cc(N2CCOCC2)ccc1CN1CCC2(COC2)CC1 ZINC001236926272 1313554842 /nfs/dbraw/zinc/55/48/42/1313554842.db2.gz DRBPHAIHASLWIM-UHFFFAOYSA-N 0 3 336.863 2.789 20 10 EFCDHN C[C@H]1CCN(Cc2ccc(N3CCOCC3)cc2Cl)CC[C@H]1O ZINC001236926286 1313554987 /nfs/dbraw/zinc/55/49/87/1313554987.db2.gz FBHCWWARZUAKPI-KBXCAEBGSA-N 0 3 338.879 2.769 20 10 EFCDHN CN1CCN(c2ccc(CN3CC(c4cccnc4)C3)c(F)c2)CC1 ZINC001236943629 1313558043 /nfs/dbraw/zinc/55/80/43/1313558043.db2.gz UYHYEYPDBDQFFP-UHFFFAOYSA-N 0 3 340.446 2.572 20 10 EFCDHN CCOc1ccc(C[N@@H+]2CCC[C@]3(CCC(=O)N3)[C@@H]2CC)c([O-])c1 ZINC001237040081 1313573076 /nfs/dbraw/zinc/57/30/76/1313573076.db2.gz DAYSEOJOUFPJFB-HKUYNNGSSA-N 0 3 332.444 2.814 20 10 EFCDHN CCOc1ccc(C[N@H+]2CCC[C@]3(CCC(=O)N3)[C@@H]2CC)c([O-])c1 ZINC001237040081 1313573079 /nfs/dbraw/zinc/57/30/79/1313573079.db2.gz DAYSEOJOUFPJFB-HKUYNNGSSA-N 0 3 332.444 2.814 20 10 EFCDHN CCOc1ccc(C[N@@H+]2CCC[C@@H](Oc3nccc(C)n3)C2)c([O-])c1 ZINC001237048853 1313576269 /nfs/dbraw/zinc/57/62/69/1313576269.db2.gz XQEURQIHHGSSNL-QGZVFWFLSA-N 0 3 343.427 2.933 20 10 EFCDHN CCOc1ccc(C[N@H+]2CCC[C@@H](Oc3nccc(C)n3)C2)c([O-])c1 ZINC001237048853 1313576273 /nfs/dbraw/zinc/57/62/73/1313576273.db2.gz XQEURQIHHGSSNL-QGZVFWFLSA-N 0 3 343.427 2.933 20 10 EFCDHN CC(C)c1ccc(C[NH+]2C[C@H]3CN(c4ncccn4)C[C@@H]3C2)c([O-])c1 ZINC001237048748 1313576285 /nfs/dbraw/zinc/57/62/85/1313576285.db2.gz OUFRFWRKKSNWNX-ROUUACIJSA-N 0 3 338.455 2.874 20 10 EFCDHN CCOc1ccc(C[NH+]2CCC(NC(=O)N(CC)CC)CC2)c([O-])c1 ZINC001237048741 1313576293 /nfs/dbraw/zinc/57/62/93/1313576293.db2.gz WHJYLCWMAIWKQI-UHFFFAOYSA-N 0 3 349.475 2.807 20 10 EFCDHN CCOc1ccc(C[NH+]2CCC3(CC(=O)N(CC)C3)CC2)c([O-])c1 ZINC001237046434 1313575300 /nfs/dbraw/zinc/57/53/00/1313575300.db2.gz CCITXUKEYULIJB-UHFFFAOYSA-N 0 3 332.444 2.625 20 10 EFCDHN CCOc1ccc(C[N@@H+]2CCC[C@@H](Oc3cnccn3)C2)c([O-])c1 ZINC001237046810 1313575379 /nfs/dbraw/zinc/57/53/79/1313575379.db2.gz GGEKWXZBAMCJDQ-MRXNPFEDSA-N 0 3 329.400 2.624 20 10 EFCDHN CCOc1ccc(C[N@H+]2CCC[C@@H](Oc3cnccn3)C2)c([O-])c1 ZINC001237046810 1313575382 /nfs/dbraw/zinc/57/53/82/1313575382.db2.gz GGEKWXZBAMCJDQ-MRXNPFEDSA-N 0 3 329.400 2.624 20 10 EFCDHN CCOc1ccc(CN2C[C@@H]3CN(C(=O)OC(C)(C)C)[C@@H]3C2)c(O)c1 ZINC001237047023 1313575523 /nfs/dbraw/zinc/57/55/23/1313575523.db2.gz QOZVLVVFOZGRLY-GDBMZVCRSA-N 0 3 348.443 2.842 20 10 EFCDHN CN1CCC([N@H+](C)Cc2ccc(OCC(F)(F)F)cc2[O-])CC1 ZINC001237051139 1313576910 /nfs/dbraw/zinc/57/69/10/1313576910.db2.gz HSRLYQOFRYVCAN-UHFFFAOYSA-N 0 3 332.366 2.859 20 10 EFCDHN CN1CCC([N@@H+](C)Cc2ccc(OCC(F)(F)F)cc2[O-])CC1 ZINC001237051139 1313576913 /nfs/dbraw/zinc/57/69/13/1313576913.db2.gz HSRLYQOFRYVCAN-UHFFFAOYSA-N 0 3 332.366 2.859 20 10 EFCDHN C[C@@H]1CC[N@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])CC[C@H]1O ZINC001237052877 1313576936 /nfs/dbraw/zinc/57/69/36/1313576936.db2.gz DJBGWYXCLDWMBA-BXUZGUMPSA-N 0 3 333.350 2.926 20 10 EFCDHN C[C@@H]1CC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])CC[C@H]1O ZINC001237052877 1313576940 /nfs/dbraw/zinc/57/69/40/1313576940.db2.gz DJBGWYXCLDWMBA-BXUZGUMPSA-N 0 3 333.350 2.926 20 10 EFCDHN CC(=O)N1CCO[C@@H]2CC[N@@H+](Cc3ccc(C(C)C)cc3[O-])CC[C@H]21 ZINC001237051053 1313577162 /nfs/dbraw/zinc/57/71/62/1313577162.db2.gz IJLODCJNAMUOSF-UYAOXDASSA-N 0 3 346.471 2.727 20 10 EFCDHN CC(=O)N1CCO[C@@H]2CC[N@H+](Cc3ccc(C(C)C)cc3[O-])CC[C@H]21 ZINC001237051053 1313577165 /nfs/dbraw/zinc/57/71/65/1313577165.db2.gz IJLODCJNAMUOSF-UYAOXDASSA-N 0 3 346.471 2.727 20 10 EFCDHN C[C@H]1CC[N@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])CC[C@@H]1O ZINC001237052878 1313577183 /nfs/dbraw/zinc/57/71/83/1313577183.db2.gz DJBGWYXCLDWMBA-FZMZJTMJSA-N 0 3 333.350 2.926 20 10 EFCDHN C[C@H]1CC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])CC[C@@H]1O ZINC001237052878 1313577186 /nfs/dbraw/zinc/57/71/86/1313577186.db2.gz DJBGWYXCLDWMBA-FZMZJTMJSA-N 0 3 333.350 2.926 20 10 EFCDHN C[C@H]1CCC[N@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])[C@H]1CO ZINC001237053749 1313577194 /nfs/dbraw/zinc/57/71/94/1313577194.db2.gz PAQADMQJHZZEOV-FZMZJTMJSA-N 0 3 333.350 2.926 20 10 EFCDHN C[C@H]1CCC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])[C@H]1CO ZINC001237053749 1313577197 /nfs/dbraw/zinc/57/71/97/1313577197.db2.gz PAQADMQJHZZEOV-FZMZJTMJSA-N 0 3 333.350 2.926 20 10 EFCDHN C[C@@H]1C[N@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])CCC[C@H]1O ZINC001237053778 1313578288 /nfs/dbraw/zinc/57/82/88/1313578288.db2.gz QHMYEKSRFOBSEP-BXUZGUMPSA-N 0 3 333.350 2.926 20 10 EFCDHN C[C@@H]1C[N@@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])CCC[C@H]1O ZINC001237053778 1313578291 /nfs/dbraw/zinc/57/82/91/1313578291.db2.gz QHMYEKSRFOBSEP-BXUZGUMPSA-N 0 3 333.350 2.926 20 10 EFCDHN COc1cc([O-])c(CN2CCC[C@H]([NH+](C)C)C2)c(Br)c1 ZINC001237059697 1313578442 /nfs/dbraw/zinc/57/84/42/1313578442.db2.gz NKTDZQGEZUDOPF-NSHDSACASA-N 0 3 343.265 2.689 20 10 EFCDHN CN(C)C(=O)[C@@H]1CCC[N@H+](Cc2c([O-])cccc2OC(F)(F)F)C1 ZINC001237111823 1313587306 /nfs/dbraw/zinc/58/73/06/1313587306.db2.gz UODBDFZKMVEWCR-LLVKDONJSA-N 0 3 346.349 2.591 20 10 EFCDHN CN(C)C(=O)[C@@H]1CCC[N@@H+](Cc2c([O-])cccc2OC(F)(F)F)C1 ZINC001237111823 1313587308 /nfs/dbraw/zinc/58/73/08/1313587308.db2.gz UODBDFZKMVEWCR-LLVKDONJSA-N 0 3 346.349 2.591 20 10 EFCDHN CN(C)C(=O)[C@@H]1CCCN(Cc2c(O)cccc2OC(F)(F)F)C1 ZINC001237111823 1313587310 /nfs/dbraw/zinc/58/73/10/1313587310.db2.gz UODBDFZKMVEWCR-LLVKDONJSA-N 0 3 346.349 2.591 20 10 EFCDHN Cc1cc([O-])c(CN2CC(F)(F)C[C@H]2C[NH3+])cc1Br ZINC001237114598 1313588349 /nfs/dbraw/zinc/58/83/49/1313588349.db2.gz JMVLPILMFKWAJB-JTQLQIEISA-N 0 3 335.192 2.631 20 10 EFCDHN C[N@@H+]1C[C@@H]2CCCN(Cc3c([O-])cccc3OC(F)(F)F)[C@@H]2C1 ZINC001237124057 1313591442 /nfs/dbraw/zinc/59/14/42/1313591442.db2.gz XHOBTEMYXNJINE-WCQYABFASA-N 0 3 330.350 2.817 20 10 EFCDHN C[N@H+]1C[C@@H]2CCCN(Cc3c([O-])cccc3OC(F)(F)F)[C@@H]2C1 ZINC001237124057 1313591446 /nfs/dbraw/zinc/59/14/46/1313591446.db2.gz XHOBTEMYXNJINE-WCQYABFASA-N 0 3 330.350 2.817 20 10 EFCDHN CN(C)C(=O)[C@@H]1CCC[N@H+](Cc2cc(C(F)(F)F)ccc2[O-])C1 ZINC001237138404 1313592280 /nfs/dbraw/zinc/59/22/80/1313592280.db2.gz BZZUJJAPDTYSHA-LLVKDONJSA-N 0 3 330.350 2.711 20 10 EFCDHN CN(C)C(=O)[C@@H]1CCC[N@@H+](Cc2cc(C(F)(F)F)ccc2[O-])C1 ZINC001237138404 1313592283 /nfs/dbraw/zinc/59/22/83/1313592283.db2.gz BZZUJJAPDTYSHA-LLVKDONJSA-N 0 3 330.350 2.711 20 10 EFCDHN CN1C(=O)CC[C@@H]2C[N@@H+](Cc3cc(C(F)(F)F)ccc3[O-])CC[C@@H]21 ZINC001237142983 1313592628 /nfs/dbraw/zinc/59/26/28/1313592628.db2.gz KEIVNKSXIGLGBB-RISCZKNCSA-N 0 3 342.361 2.854 20 10 EFCDHN CN1C(=O)CC[C@@H]2C[N@H+](Cc3cc(C(F)(F)F)ccc3[O-])CC[C@@H]21 ZINC001237142983 1313592632 /nfs/dbraw/zinc/59/26/32/1313592632.db2.gz KEIVNKSXIGLGBB-RISCZKNCSA-N 0 3 342.361 2.854 20 10 EFCDHN O=S1(=O)CCN(c2ccc(CN3CCCC4(CCC4)C3)cc2)CC1 ZINC001237214210 1313607839 /nfs/dbraw/zinc/60/78/39/1313607839.db2.gz BZYWJZASNYUGKI-UHFFFAOYSA-N 0 3 348.512 2.688 20 10 EFCDHN COc1ccc(O)c([C@@H](C)NCC(=O)Nc2ccc(Cl)nc2)c1 ZINC000851899755 1299455802 /nfs/dbraw/zinc/45/58/02/1299455802.db2.gz FKTLVKZNCZDXME-SNVBAGLBSA-N 0 3 335.791 2.739 20 10 EFCDHN COc1ccc2c(c1)n[nH]c2CN1CCCc2cc(O)c(O)cc2C1 ZINC001237395325 1313636002 /nfs/dbraw/zinc/63/60/02/1313636002.db2.gz YDRCFTGOHCARQM-UHFFFAOYSA-N 0 3 339.395 2.931 20 10 EFCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@]2(CCN(c3cccnc3)C2=O)C1 ZINC001237487355 1313654749 /nfs/dbraw/zinc/65/47/49/1313654749.db2.gz YNHTYYLQMWPSLR-FQEVSTJZSA-N 0 3 337.423 2.725 20 10 EFCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@]2(CCN(c3cccnc3)C2=O)C1 ZINC001237487355 1313654753 /nfs/dbraw/zinc/65/47/53/1313654753.db2.gz YNHTYYLQMWPSLR-FQEVSTJZSA-N 0 3 337.423 2.725 20 10 EFCDHN Cc1cccc([O-])c1C[NH+]1CCC2(C[C@H]2C(=O)NC2CCC2)CC1 ZINC001237488562 1313654767 /nfs/dbraw/zinc/65/47/67/1313654767.db2.gz NTGMDNNDEIQEGY-KRWDZBQOSA-N 0 3 328.456 2.971 20 10 EFCDHN CCOc1ccc(N2CCN(Cc3cc(C)c(C)cc3O)CC2)nn1 ZINC000853612938 1300193711 /nfs/dbraw/zinc/19/37/11/1300193711.db2.gz GTADDWPNMPPBPY-UHFFFAOYSA-N 0 3 342.443 2.520 20 10 EFCDHN COc1cc(CN2CCN(C)[C@H](c3ccccc3)C2)c(O)c(OC)c1 ZINC001237675148 1313689503 /nfs/dbraw/zinc/68/95/03/1313689503.db2.gz ARBJFSDIRYIRMF-SFHVURJKSA-N 0 3 342.439 2.898 20 10 EFCDHN CCCN1CCN(Cc2cc(Br)c(C)cc2O)CC1 ZINC001237678611 1313689852 /nfs/dbraw/zinc/68/98/52/1313689852.db2.gz JYRBPSZJUVNPTE-UHFFFAOYSA-N 0 3 327.266 2.991 20 10 EFCDHN Cc1cc(O)c(CN2CCN(C(C)C)CC2)cc1Br ZINC001237678189 1313690016 /nfs/dbraw/zinc/69/00/16/1313690016.db2.gz WBTQBCWBRKUYNU-UHFFFAOYSA-N 0 3 327.266 2.989 20 10 EFCDHN Cc1cc([O-])c(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)cc1Br ZINC001237679187 1313690176 /nfs/dbraw/zinc/69/01/76/1313690176.db2.gz GCAULFSNARPQAM-YPMHNXCESA-N 0 3 326.234 2.931 20 10 EFCDHN Cc1cc([O-])c(C[N@H+]2CC[C@@H]3COC[C@@H]3C2)cc1Br ZINC001237679187 1313690179 /nfs/dbraw/zinc/69/01/79/1313690179.db2.gz GCAULFSNARPQAM-YPMHNXCESA-N 0 3 326.234 2.931 20 10 EFCDHN Cc1cc([O-])c(CN2CC[NH+]3CCC2CC3)cc1Br ZINC001237683201 1313690890 /nfs/dbraw/zinc/69/08/90/1313690890.db2.gz XDNLZICQGBAWPH-UHFFFAOYSA-N 0 3 325.250 2.743 20 10 EFCDHN Cc1cc([O-])c(CN2CCC[C@@H]3C[N@@H+](C)C[C@H]32)cc1Br ZINC001237682950 1313691161 /nfs/dbraw/zinc/69/11/61/1313691161.db2.gz VKQIXUMDFAILTQ-IUODEOHRSA-N 0 3 339.277 2.989 20 10 EFCDHN Cc1cc([O-])c(CN2CCC[C@@H]3C[N@H+](C)C[C@H]32)cc1Br ZINC001237682950 1313691165 /nfs/dbraw/zinc/69/11/65/1313691165.db2.gz VKQIXUMDFAILTQ-IUODEOHRSA-N 0 3 339.277 2.989 20 10 EFCDHN COC(=O)[C@@]1(C)CC[N@H+](Cc2cc(Br)c(C)cc2[O-])C1 ZINC001237686511 1313692113 /nfs/dbraw/zinc/69/21/13/1313692113.db2.gz UTUQSFQXRZUHPC-HNNXBMFYSA-N 0 3 342.233 2.848 20 10 EFCDHN COC(=O)[C@@]1(C)CC[N@@H+](Cc2cc(Br)c(C)cc2[O-])C1 ZINC001237686511 1313692116 /nfs/dbraw/zinc/69/21/16/1313692116.db2.gz UTUQSFQXRZUHPC-HNNXBMFYSA-N 0 3 342.233 2.848 20 10 EFCDHN CCS[C@H]1CCCCN(CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000112088450 1300501594 /nfs/dbraw/zinc/50/15/94/1300501594.db2.gz VCPWHYVGKJAAFY-SFHVURJKSA-N 0 3 349.544 2.976 20 10 EFCDHN Cc1cc(C)c2c(c1)C[N@@H+](Cc1cc3c(cc1[O-])OC[C@@H]3O)CC2 ZINC000776774750 1300766411 /nfs/dbraw/zinc/76/64/11/1300766411.db2.gz NFPZRSYCZXLLIL-IBGZPJMESA-N 0 3 325.408 2.993 20 10 EFCDHN Cc1cc(C)c2c(c1)C[N@H+](Cc1cc3c(cc1[O-])OC[C@@H]3O)CC2 ZINC000776774750 1300766416 /nfs/dbraw/zinc/76/64/16/1300766416.db2.gz NFPZRSYCZXLLIL-IBGZPJMESA-N 0 3 325.408 2.993 20 10 EFCDHN CCOC(=O)COc1cccc(C[N@@H+]2CCc3cccc([O-])c3C2)c1 ZINC001237915482 1313730879 /nfs/dbraw/zinc/73/08/79/1313730879.db2.gz JPQHSFSKLRYGKK-UHFFFAOYSA-N 0 3 341.407 2.892 20 10 EFCDHN CCOC(=O)COc1cccc(C[N@H+]2CCc3cccc([O-])c3C2)c1 ZINC001237915482 1313730883 /nfs/dbraw/zinc/73/08/83/1313730883.db2.gz JPQHSFSKLRYGKK-UHFFFAOYSA-N 0 3 341.407 2.892 20 10 EFCDHN Cc1cncnc1O[C@H]1CCN(Cc2cc(F)c(Cl)cc2[O-])C1 ZINC001237939795 1313734049 /nfs/dbraw/zinc/73/40/49/1313734049.db2.gz GARAVLNQOGLOPW-LBPRGKRZSA-N 0 3 337.782 2.936 20 10 EFCDHN Cc1cc(F)cc(CN2CCC(NC(=O)c3ccncc3)CC2)c1O ZINC001238069385 1313754994 /nfs/dbraw/zinc/75/49/94/1313754994.db2.gz YZQNRIPTGAQZSV-UHFFFAOYSA-N 0 3 343.402 2.629 20 10 EFCDHN Cc1ccnc(O[C@H]2CCCN(Cc3cc(F)cc(C)c3O)C2)n1 ZINC001238068241 1313755287 /nfs/dbraw/zinc/75/52/87/1313755287.db2.gz XNIGKNYMLDGZFJ-INIZCTEOSA-N 0 3 331.391 2.982 20 10 EFCDHN CCOc1ccc(C[NH2+][C@@H]2CCCN(C(=O)N3CCCC3)C2)c([O-])c1 ZINC000796468802 1302059734 /nfs/dbraw/zinc/05/97/34/1302059734.db2.gz JNGZQOWNGQXUPM-MRXNPFEDSA-N 0 3 347.459 2.561 20 10 EFCDHN CN(C)c1cc(F)c(CN(CCO)C2CCSCC2)cc1F ZINC000862387611 1302363019 /nfs/dbraw/zinc/36/30/19/1302363019.db2.gz OCKWZHWXYZCCOC-UHFFFAOYSA-N 0 3 330.444 2.721 20 10 EFCDHN COc1ccc(N2CCN(CC3(C)CCOCC3)CC2)c(OC)c1 ZINC001208079654 1313842101 /nfs/dbraw/zinc/84/21/01/1313842101.db2.gz VZDLMMZRUWITRU-UHFFFAOYSA-N 0 3 334.460 2.643 20 10 EFCDHN O=C([C@H]1CCC[C@@]12CC[N@@H+](Cc1cc(F)ccc1[O-])C2)N1CC=CC1 ZINC001278257358 1313846552 /nfs/dbraw/zinc/84/65/52/1313846552.db2.gz UJTFNTDVKOIOAU-XLIONFOSSA-N 0 3 344.430 2.922 20 10 EFCDHN O=C([C@H]1CCC[C@@]12CC[N@H+](Cc1cc(F)ccc1[O-])C2)N1CC=CC1 ZINC001278257358 1313846555 /nfs/dbraw/zinc/84/65/55/1313846555.db2.gz UJTFNTDVKOIOAU-XLIONFOSSA-N 0 3 344.430 2.922 20 10 EFCDHN O=c1ccc(C[NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)c[nH]1 ZINC000865461946 1303268541 /nfs/dbraw/zinc/26/85/41/1303268541.db2.gz FCPWOUQAYDGPAZ-MRXNPFEDSA-N 0 3 347.846 2.900 20 10 EFCDHN C[C@@H](NC(=O)NCCN(C)Cc1ccccc1)c1ccccc1O ZINC000868131063 1304144096 /nfs/dbraw/zinc/14/40/96/1304144096.db2.gz XSGGVGIEDQJUJO-OAHLLOKOSA-N 0 3 327.428 2.884 20 10 EFCDHN CCc1nnc(NC(=O)[C@@H](C)[C@H](C)[NH2+]Cc2ccccc2[O-])s1 ZINC000796527786 1305982360 /nfs/dbraw/zinc/98/23/60/1305982360.db2.gz ASTQJRJBSIFJGR-QWRGUYRKSA-N 0 3 334.445 2.559 20 10 EFCDHN CCOc1ccc(N2CCN(CC3COC(C)(C)OC3)CC2)cc1 ZINC001209202303 1314115257 /nfs/dbraw/zinc/11/52/57/1314115257.db2.gz OYWIMZBPTDFFQA-UHFFFAOYSA-N 0 3 334.460 2.606 20 10 EFCDHN Cc1ccc(C)n1-c1ccc(CN2C[C@@H]3[C@H](C2)OCCN3C)cc1 ZINC001209516954 1314178321 /nfs/dbraw/zinc/17/83/21/1314178321.db2.gz UURKHNIZXAKQKD-UXHICEINSA-N 0 3 325.456 2.609 20 10 EFCDHN Cc1ccc(C)n1-c1ccc(CN2CCN(CCCO)CC2)cc1 ZINC001209516972 1314178697 /nfs/dbraw/zinc/17/86/97/1314178697.db2.gz VCUDISXCDMTCAY-UHFFFAOYSA-N 0 3 327.472 2.594 20 10 EFCDHN O=C(/C=C/c1ccccc1)NCCC[NH2+]Cc1cc(F)ccc1[O-] ZINC000800544545 1308100238 /nfs/dbraw/zinc/10/02/38/1308100238.db2.gz LLDQIPRMEDSZHR-JXMROGBWSA-N 0 3 328.387 2.841 20 10 EFCDHN Cc1cc([O-])c(C[N@@H+]2CC[C@H]3CN(Cc4cn[nH]c4)C[C@H]32)cc1Cl ZINC001276372071 1314235313 /nfs/dbraw/zinc/23/53/13/1314235313.db2.gz HFWZAURRZAUKPL-WMLDXEAASA-N 0 3 346.862 2.783 20 10 EFCDHN Cc1cc([O-])c(C[N@H+]2CC[C@H]3CN(Cc4cn[nH]c4)C[C@H]32)cc1Cl ZINC001276372071 1314235315 /nfs/dbraw/zinc/23/53/15/1314235315.db2.gz HFWZAURRZAUKPL-WMLDXEAASA-N 0 3 346.862 2.783 20 10 EFCDHN C[C@@H]1CC[C@@H](C)N1CC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000752151548 1311148158 /nfs/dbraw/zinc/14/81/58/1311148158.db2.gz JTJPEBIABBUAMI-JFIYKMOQSA-N 0 3 346.471 2.773 20 10 EFCDHN [NH3+]CC1(F)CCN(Cc2cc(Br)cc(F)c2[O-])CC1 ZINC001222548328 1311151002 /nfs/dbraw/zinc/15/10/02/1311151002.db2.gz GSMTWYBPEQODEH-UHFFFAOYSA-N 0 3 335.192 2.557 20 10 EFCDHN [O-]c1cc(F)c(F)cc1CN1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222608779 1311160050 /nfs/dbraw/zinc/16/00/50/1311160050.db2.gz FARPXNIBJGOUKK-HNNXBMFYSA-N 0 3 330.378 2.859 20 10 EFCDHN [O-]c1ccc(Cl)c(Cl)c1CN1CC[NH2+]C[C@]2(CCCCN2)C1 ZINC001222693133 1311174011 /nfs/dbraw/zinc/17/40/11/1311174011.db2.gz UWKYASMMLIOHNC-MRXNPFEDSA-N 0 3 344.286 2.617 20 10 EFCDHN CN(C)C[C@H](NC(=O)c1cccc(O)c1O)c1ccc(Cl)cc1 ZINC000802377344 1311604670 /nfs/dbraw/zinc/60/46/70/1311604670.db2.gz GARQWRAADFFQQI-AWEZNQCLSA-N 0 3 334.803 2.784 20 10 EFCDHN CCN(C(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1[NH2+]Cc1ccc(O)cc1[O-])C(C)C ZINC001277190942 1311779783 /nfs/dbraw/zinc/77/97/83/1311779783.db2.gz XPSAYXBKSUQFPK-SPLQCWDRSA-N 0 3 346.471 2.859 20 10 EFCDHN CC(C)(C)NC(=O)[C@H]1CC12CC[NH+](Cc1ccc(O)cc1[O-])CC2 ZINC001277192336 1311780928 /nfs/dbraw/zinc/78/09/28/1311780928.db2.gz MQRQRTFIIWZANK-OAHLLOKOSA-N 0 3 332.444 2.615 20 10 EFCDHN CN(C)C(=O)[C@@H]1CCC2(C1)CC[NH+](Cc1ccc(O)cc1[O-])CC2 ZINC001277192987 1311782079 /nfs/dbraw/zinc/78/20/79/1311782079.db2.gz WRGJTJDHSJFIDP-CQSZACIVSA-N 0 3 332.444 2.568 20 10 EFCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCC[C@@H]3C3OCCO3)c2c1 ZINC000902621973 1311950172 /nfs/dbraw/zinc/95/01/72/1311950172.db2.gz HYYUEJPIHYLPAO-QGZVFWFLSA-N 0 3 329.396 2.891 20 10 EFCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCC[C@@H]3C3OCCO3)c2c1 ZINC000902621973 1311950176 /nfs/dbraw/zinc/95/01/76/1311950176.db2.gz HYYUEJPIHYLPAO-QGZVFWFLSA-N 0 3 329.396 2.891 20 10 EFCDHN CCOC(=O)C(=Cc1cc(C)c(C)nc1-n1nccc1CN)N=[N+]=[N-] ZINC001162590650 1312131540 /nfs/dbraw/zinc/13/15/40/1312131540.db2.gz FVRFFWFZGMUDHT-ZSOIEALJSA-N 0 3 341.375 2.557 20 10 EFCDHN O=C(NCC(F)F)[C@@H]1CCC[C@]12CC[N@@H+](Cc1ccccc1[O-])C2 ZINC001277442241 1312178607 /nfs/dbraw/zinc/17/86/07/1312178607.db2.gz UVZAFNQURLHCSW-KBXCAEBGSA-N 0 3 338.398 2.766 20 10 EFCDHN O=C(NCC(F)F)[C@@H]1CCC[C@]12CC[N@H+](Cc1ccccc1[O-])C2 ZINC001277442241 1312178609 /nfs/dbraw/zinc/17/86/09/1312178609.db2.gz UVZAFNQURLHCSW-KBXCAEBGSA-N 0 3 338.398 2.766 20 10 EFCDHN CN(C(=O)[C@]12C[C@H]1CCN2Cc1ccccc1O)C1CC(F)(F)C1 ZINC001277447002 1312194689 /nfs/dbraw/zinc/19/46/89/1312194689.db2.gz YBZFNGYYGGLWPK-ACJLOTCBSA-N 0 3 336.382 2.613 20 10 EFCDHN CN(C(=O)[C@]12C[C@H]1CC[N@@H+]2Cc1ccccc1[O-])C1CC(F)(F)C1 ZINC001277447002 1312194692 /nfs/dbraw/zinc/19/46/92/1312194692.db2.gz YBZFNGYYGGLWPK-ACJLOTCBSA-N 0 3 336.382 2.613 20 10 EFCDHN CN(C(=O)[C@]12C[C@H]1CC[N@H+]2Cc1ccccc1[O-])C1CC(F)(F)C1 ZINC001277447002 1312194695 /nfs/dbraw/zinc/19/46/95/1312194695.db2.gz YBZFNGYYGGLWPK-ACJLOTCBSA-N 0 3 336.382 2.613 20 10 EFCDHN COc1ccc(C[NH2+][C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)NC(C)(C)C)c([O-])c1 ZINC001277454434 1312230195 /nfs/dbraw/zinc/23/01/95/1312230195.db2.gz RHBTWXQUQOQZIL-XLQHLMKVSA-N 0 3 346.471 2.820 20 10 EFCDHN CCNS(=O)(=O)c1cccc(CN[C@H](C)c2cc(C)ccc2O)c1 ZINC000903235861 1312486030 /nfs/dbraw/zinc/48/60/30/1312486030.db2.gz WQPBONUPQGETIS-CQSZACIVSA-N 0 3 348.468 2.850 20 10 EFCDHN Cc1cc(F)cc(C[NH+]2CCC3(CN(C(=O)NC(C)C)C3)CC2)c1[O-] ZINC001277519622 1312499390 /nfs/dbraw/zinc/49/93/90/1312499390.db2.gz FSMNJAFHLJHLPH-UHFFFAOYSA-N 0 3 349.450 2.856 20 10 EFCDHN COC(=O)CC[N@H+](C)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC001231469411 1312505324 /nfs/dbraw/zinc/50/53/24/1312505324.db2.gz CJBDIERTOCWUGT-UHFFFAOYSA-N 0 3 329.396 2.966 20 10 EFCDHN COC(=O)CC[N@@H+](C)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC001231469411 1312505327 /nfs/dbraw/zinc/50/53/27/1312505327.db2.gz CJBDIERTOCWUGT-UHFFFAOYSA-N 0 3 329.396 2.966 20 10 EFCDHN COc1ccc(Br)c(C[N@@H+]2CCC[C@@H](CCO)C2)c1[O-] ZINC001231554461 1312524558 /nfs/dbraw/zinc/52/45/58/1312524558.db2.gz UAIWTMAAQRGCCM-NSHDSACASA-N 0 3 344.249 2.758 20 10 EFCDHN COc1ccc(Br)c(C[N@H+]2CCC[C@@H](CCO)C2)c1[O-] ZINC001231554461 1312524559 /nfs/dbraw/zinc/52/45/59/1312524559.db2.gz UAIWTMAAQRGCCM-NSHDSACASA-N 0 3 344.249 2.758 20 10 EFCDHN COc1ccc(Br)c(CN2CCC[C@@H](CCO)C2)c1O ZINC001231554461 1312524561 /nfs/dbraw/zinc/52/45/61/1312524561.db2.gz UAIWTMAAQRGCCM-NSHDSACASA-N 0 3 344.249 2.758 20 10 EFCDHN COc1ccc(Br)c(C[N@@H+]2C[C@H]3[C@H](CF)[C@H]3C2)c1[O-] ZINC001231557514 1312525191 /nfs/dbraw/zinc/52/51/91/1312525191.db2.gz UHYJAEVKJUPVBN-OWUUHHOZSA-N 0 3 330.197 2.811 20 10 EFCDHN COc1ccc(Br)c(C[N@H+]2C[C@H]3[C@H](CF)[C@H]3C2)c1[O-] ZINC001231557514 1312525193 /nfs/dbraw/zinc/52/51/93/1312525193.db2.gz UHYJAEVKJUPVBN-OWUUHHOZSA-N 0 3 330.197 2.811 20 10 EFCDHN COc1ccc(Br)c(CN2C[C@H]3[C@H](CF)[C@H]3C2)c1O ZINC001231557514 1312525195 /nfs/dbraw/zinc/52/51/95/1312525195.db2.gz UHYJAEVKJUPVBN-OWUUHHOZSA-N 0 3 330.197 2.811 20 10 EFCDHN CCNC(=O)COC1CC[NH+](Cc2c([O-])ccc3ccccc32)CC1 ZINC001231589638 1312528844 /nfs/dbraw/zinc/52/88/44/1312528844.db2.gz NZUGPMFSAXJHSU-UHFFFAOYSA-N 0 3 342.439 2.663 20 10 EFCDHN CC1(C)CN(C2CN(Cc3c(O)ccc4ccccc43)C2)CCO1 ZINC001231590402 1312528941 /nfs/dbraw/zinc/52/89/41/1312528941.db2.gz YEBQJZQZBWXJRS-UHFFFAOYSA-N 0 3 326.440 2.840 20 10 EFCDHN CC1(C)CN(C2C[NH+](Cc3c([O-])ccc4ccccc43)C2)CCO1 ZINC001231590402 1312528944 /nfs/dbraw/zinc/52/89/44/1312528944.db2.gz YEBQJZQZBWXJRS-UHFFFAOYSA-N 0 3 326.440 2.840 20 10 EFCDHN COc1cc(CN2CCN(C)[C@@H](c3ccccc3)C2)c(O)cc1O ZINC001231637050 1312536629 /nfs/dbraw/zinc/53/66/29/1312536629.db2.gz YUPSGCOMNSUPTA-MRXNPFEDSA-N 0 3 328.412 2.595 20 10 EFCDHN COc1cc(CN2CCC(Oc3ncccc3C)CC2)c(O)cc1O ZINC001231640122 1312537640 /nfs/dbraw/zinc/53/76/40/1312537640.db2.gz OVBOOBNMEXNQDN-UHFFFAOYSA-N 0 3 344.411 2.853 20 10 EFCDHN CN(C)c1ccc(CNC23CC(C(=O)N4CC=CC4)(C2)C3)c(Cl)c1 ZINC001277551246 1312549205 /nfs/dbraw/zinc/54/92/05/1312549205.db2.gz KVBCQUIVSCIYMD-UHFFFAOYSA-N 0 3 345.874 2.817 20 10 EFCDHN Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)[C@H]3C(=O)Nc2cn[nH]c2)c([O-])c1 ZINC001277559742 1312556977 /nfs/dbraw/zinc/55/69/77/1312556977.db2.gz IMFLTFDNLRIGIO-JLVBRIDZSA-N 0 3 340.427 2.520 20 10 EFCDHN Cc1ccc(C[N@H+]2C[C@@H]3CC[C@H](C2)[C@H]3C(=O)Nc2cn[nH]c2)c([O-])c1 ZINC001277559742 1312556979 /nfs/dbraw/zinc/55/69/79/1312556979.db2.gz IMFLTFDNLRIGIO-JLVBRIDZSA-N 0 3 340.427 2.520 20 10 EFCDHN Cc1ccc(C[NH+]2CCC3(C[C@H]3C(=O)N3CCCCO3)CC2)c([O-])c1 ZINC001277566437 1312565357 /nfs/dbraw/zinc/56/53/57/1312565357.db2.gz HUWWLGZMVNYWNO-KRWDZBQOSA-N 0 3 344.455 2.857 20 10 EFCDHN Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)[C@H]3C(=O)N2CCCCO2)c([O-])c1 ZINC001277569325 1312568422 /nfs/dbraw/zinc/56/84/22/1312568422.db2.gz ZTHKFUXEHGZXSB-IZZQQSIFSA-N 0 3 344.455 2.713 20 10 EFCDHN Cc1ccc(C[N@H+]2C[C@@H]3CC[C@H](C2)[C@H]3C(=O)N2CCCCO2)c([O-])c1 ZINC001277569325 1312568425 /nfs/dbraw/zinc/56/84/25/1312568425.db2.gz ZTHKFUXEHGZXSB-IZZQQSIFSA-N 0 3 344.455 2.713 20 10 EFCDHN Cc1ccc(CN2CC[C@H]3C[C@]32C(=O)N2CCCC23CC3)c(O)c1 ZINC001277569200 1312568778 /nfs/dbraw/zinc/56/87/78/1312568778.db2.gz YCXFKSMMSKRGSU-OXJNMPFZSA-N 0 3 326.440 2.820 20 10 EFCDHN Cc1cc(C)c(CN2CCN(c3nc(C)cc(C)n3)CC2)c(O)c1 ZINC001231845527 1312573348 /nfs/dbraw/zinc/57/33/48/1312573348.db2.gz OJVNRTXHZKHBHW-UHFFFAOYSA-N 0 3 326.444 2.738 20 10 EFCDHN CCOC(=O)C[C@H]1CCCN(Cc2ccc(N(C)C)cc2OC)C1 ZINC001231852149 1312574056 /nfs/dbraw/zinc/57/40/56/1312574056.db2.gz QYHQAJSPYZHMIS-OAHLLOKOSA-N 0 3 334.460 2.926 20 10 EFCDHN CCOC(=O)[C@H]1CCCN(Cc2ccc(N(C)C)cc2OC)[C@@H]1C ZINC001231852841 1312575354 /nfs/dbraw/zinc/57/53/54/1312575354.db2.gz BBRSYISRQKARSD-PBHICJAKSA-N 0 3 334.460 2.925 20 10 EFCDHN CCOC(=O)[C@@]1(C)CCCN(Cc2ccc(N(C)C)cc2OC)C1 ZINC001231855078 1312575813 /nfs/dbraw/zinc/57/58/13/1312575813.db2.gz QDOLTRJZSKGDAB-IBGZPJMESA-N 0 3 334.460 2.926 20 10 EFCDHN COc1cc(N(C)C)ccc1CN1CC[C@H](Oc2ccncc2)C1 ZINC001231855380 1312576141 /nfs/dbraw/zinc/57/61/41/1312576141.db2.gz RLGIBYFXZUYDLD-SFHVURJKSA-N 0 3 327.428 2.810 20 10 EFCDHN COCC[N@H+](Cc1cc(Cl)c(C)cc1[O-])C1CCN(C)CC1 ZINC001231869406 1312578179 /nfs/dbraw/zinc/57/81/79/1312578179.db2.gz OKVDWFKFQKLUFU-UHFFFAOYSA-N 0 3 326.868 2.897 20 10 EFCDHN COCC[N@@H+](Cc1cc(Cl)c(C)cc1[O-])C1CCN(C)CC1 ZINC001231869406 1312578181 /nfs/dbraw/zinc/57/81/81/1312578181.db2.gz OKVDWFKFQKLUFU-UHFFFAOYSA-N 0 3 326.868 2.897 20 10 EFCDHN [O-]c1c(Cl)cccc1C[N@@H+]1CCN(Cc2ccccc2)[C@H](CO)C1 ZINC001231909214 1312586668 /nfs/dbraw/zinc/58/66/68/1312586668.db2.gz CAEMLPQZSQKAGC-KRWDZBQOSA-N 0 3 346.858 2.724 20 10 EFCDHN [O-]c1c(Cl)cccc1C[N@H+]1CCN(Cc2ccccc2)[C@H](CO)C1 ZINC001231909214 1312586671 /nfs/dbraw/zinc/58/66/71/1312586671.db2.gz CAEMLPQZSQKAGC-KRWDZBQOSA-N 0 3 346.858 2.724 20 10 EFCDHN C[C@@H]1CCN(Cc2ccc(N3CCOCC3)c(Cl)c2)C[C@@]1(C)O ZINC001232194294 1312646135 /nfs/dbraw/zinc/64/61/35/1312646135.db2.gz HXTMIQHBRLOOMH-RDTXWAMCSA-N 0 3 338.879 2.769 20 10 EFCDHN C[C@H]1CCCN(Cc2ccc(N3CCOCC3)c(Cl)c2)[C@H]1CO ZINC001232194201 1312646354 /nfs/dbraw/zinc/64/63/54/1312646354.db2.gz DTIDJYILQOTVOT-KSSFIOAISA-N 0 3 338.879 2.769 20 10 EFCDHN Clc1cc(CN2CCC3(COC3)CC2)ccc1N1CCOCC1 ZINC001232198471 1312647436 /nfs/dbraw/zinc/64/74/36/1312647436.db2.gz SYSKLGBWTZVXCE-UHFFFAOYSA-N 0 3 336.863 2.789 20 10 EFCDHN COC(=O)Cc1ccc(C[N@H+](C)CCC(=O)c2ccccc2)c([O-])c1 ZINC001249207925 1315032829 /nfs/dbraw/zinc/03/28/29/1315032829.db2.gz MNNBVCVAYCZLKN-UHFFFAOYSA-N 0 3 341.407 2.813 20 10 EFCDHN COC(=O)Cc1ccc(C[N@@H+](C)CCC(=O)c2ccccc2)c([O-])c1 ZINC001249207925 1315032832 /nfs/dbraw/zinc/03/28/32/1315032832.db2.gz MNNBVCVAYCZLKN-UHFFFAOYSA-N 0 3 341.407 2.813 20 10 EFCDHN COC(=O)Cc1ccc(C[N@@H+]2CCC[C@@H]2c2ccccn2)c([O-])c1 ZINC001249201255 1315033161 /nfs/dbraw/zinc/03/31/61/1315033161.db2.gz MAOCTBDCYBDQOQ-QGZVFWFLSA-N 0 3 326.396 2.840 20 10 EFCDHN COC(=O)Cc1ccc(C[N@H+]2CCC[C@@H]2c2ccccn2)c([O-])c1 ZINC001249201255 1315033164 /nfs/dbraw/zinc/03/31/64/1315033164.db2.gz MAOCTBDCYBDQOQ-QGZVFWFLSA-N 0 3 326.396 2.840 20 10 EFCDHN COC(=O)Cc1ccc(C[N@H+](C)CCOc2ccccc2)c([O-])c1 ZINC001249201300 1315033258 /nfs/dbraw/zinc/03/32/58/1315033258.db2.gz NHWISNBYHYPINN-UHFFFAOYSA-N 0 3 329.396 2.619 20 10 EFCDHN COC(=O)Cc1ccc(C[N@@H+](C)CCOc2ccccc2)c([O-])c1 ZINC001249201300 1315033262 /nfs/dbraw/zinc/03/32/62/1315033262.db2.gz NHWISNBYHYPINN-UHFFFAOYSA-N 0 3 329.396 2.619 20 10 EFCDHN COC(=O)Cc1ccc(CN(C)Cc2ccccc2OC)c(O)c1 ZINC001249201318 1315033273 /nfs/dbraw/zinc/03/32/73/1315033273.db2.gz OBKVMHORYZYNGU-UHFFFAOYSA-N 0 3 329.396 2.748 20 10 EFCDHN COC(=O)Cc1ccc(CN2CCc3c(F)cccc3C2)c(O)c1 ZINC001249215285 1315033589 /nfs/dbraw/zinc/03/35/89/1315033589.db2.gz ZIJDQCDBVWCCPV-UHFFFAOYSA-N 0 3 329.371 2.805 20 10 EFCDHN COC(=O)Cc1ccc(CN2CCC(=O)[C@@H](C)C23CCCC3)c(O)c1 ZINC001249218677 1315034079 /nfs/dbraw/zinc/03/40/79/1315034079.db2.gz ZLYMYJAUBOJWAX-CQSZACIVSA-N 0 3 345.439 2.831 20 10 EFCDHN COC(=O)Cc1ccc(C[N@@H+]2CCC(=O)[C@@H](C)C23CCCC3)c([O-])c1 ZINC001249218677 1315034081 /nfs/dbraw/zinc/03/40/81/1315034081.db2.gz ZLYMYJAUBOJWAX-CQSZACIVSA-N 0 3 345.439 2.831 20 10 EFCDHN COC(=O)Cc1ccc(C[N@H+]2CCC(=O)[C@@H](C)C23CCCC3)c([O-])c1 ZINC001249218677 1315034082 /nfs/dbraw/zinc/03/40/82/1315034082.db2.gz ZLYMYJAUBOJWAX-CQSZACIVSA-N 0 3 345.439 2.831 20 10 EFCDHN COC(=O)Cc1ccc(C[N@H+](C)CCc2ccccc2F)c([O-])c1 ZINC001249214302 1315034117 /nfs/dbraw/zinc/03/41/17/1315034117.db2.gz JTINONMRIVVDLM-UHFFFAOYSA-N 0 3 331.387 2.921 20 10 EFCDHN COC(=O)Cc1ccc(C[N@@H+](C)CCc2ccccc2F)c([O-])c1 ZINC001249214302 1315034121 /nfs/dbraw/zinc/03/41/21/1315034121.db2.gz JTINONMRIVVDLM-UHFFFAOYSA-N 0 3 331.387 2.921 20 10 EFCDHN CC(=O)N1CCCN(Cc2ccc3c(c2O)C=CC(C)(C)O3)CC1 ZINC001249223998 1315034484 /nfs/dbraw/zinc/03/44/84/1315034484.db2.gz QLFMDZIWBXNNMH-UHFFFAOYSA-N 0 3 330.428 2.631 20 10 EFCDHN COC[C@]12COC[C@H]1C[N@H+](Cc1ccc3c(c1[O-])C=CC(C)(C)O3)C2 ZINC001249237320 1315037444 /nfs/dbraw/zinc/03/74/44/1315037444.db2.gz BSPMJBPOJIOLKS-FOIQADDNSA-N 0 3 345.439 2.671 20 10 EFCDHN COC[C@]12COC[C@H]1C[N@@H+](Cc1ccc3c(c1[O-])C=CC(C)(C)O3)C2 ZINC001249237320 1315037449 /nfs/dbraw/zinc/03/74/49/1315037449.db2.gz BSPMJBPOJIOLKS-FOIQADDNSA-N 0 3 345.439 2.671 20 10 EFCDHN CC(=O)N1CCC2(CN(Cc3ccc4c(c3O)C=CC(C)(C)O4)C2)C1 ZINC001249244963 1315037983 /nfs/dbraw/zinc/03/79/83/1315037983.db2.gz RHMJTDGELRIFBP-UHFFFAOYSA-N 0 3 342.439 2.631 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=O)c2cccc(C#N)c2)N(C)C)cc1 ZINC000038635168 1315039664 /nfs/dbraw/zinc/03/96/64/1315039664.db2.gz KAHBZXYSCBQCQS-LJQANCHMSA-N 0 3 336.439 2.657 20 10 EFCDHN CC[N@H+](CCN1CCOCC1)Cc1ccc2c(c1[O-])C=CC(C)(C)O2 ZINC001249252164 1315039928 /nfs/dbraw/zinc/03/99/28/1315039928.db2.gz HIJHHOPGUQDWOI-UHFFFAOYSA-N 0 3 346.471 2.731 20 10 EFCDHN CC[N@@H+](CCN1CCOCC1)Cc1ccc2c(c1[O-])C=CC(C)(C)O2 ZINC001249252164 1315039932 /nfs/dbraw/zinc/03/99/32/1315039932.db2.gz HIJHHOPGUQDWOI-UHFFFAOYSA-N 0 3 346.471 2.731 20 10 EFCDHN COCc1cccc(-c2noc(C[C@@H]([NH3+])c3ccccc3[O-])n2)c1 ZINC001249338842 1315056081 /nfs/dbraw/zinc/05/60/81/1315056081.db2.gz FQNKNKJPLCZLPO-OAHLLOKOSA-N 0 3 325.368 2.831 20 10 EFCDHN [NH3+][C@H](Cc1nc(-c2ccc(-n3cccn3)cc2)no1)c1ccccc1[O-] ZINC001249339075 1315056551 /nfs/dbraw/zinc/05/65/51/1315056551.db2.gz HPSOMSAFSMBFBT-MRXNPFEDSA-N 0 3 347.378 2.870 20 10 EFCDHN O=C1c2ccccc2C(=O)c2cc(O[C@@H]3CCCNC[C@@H]3F)ccc21 ZINC001217952258 1315124850 /nfs/dbraw/zinc/12/48/50/1315124850.db2.gz VVUSHTPTUDFNEH-ZWKOTPCHSA-N 0 3 339.366 2.931 20 10 EFCDHN O=C(c1ccccc1)c1ccc([O-])c(O)c1O[C@H]1CCCC[NH2+]C1 ZINC001217970260 1315126776 /nfs/dbraw/zinc/12/67/76/1315126776.db2.gz DNFDHXBLRGSKAQ-AWEZNQCLSA-N 0 3 327.380 2.850 20 10 EFCDHN O=C(c1ccccc1)c1ccc([O-])c(O)c1O[C@@H]1C[NH2+]CCC[C@@H]1F ZINC001217978597 1315128589 /nfs/dbraw/zinc/12/85/89/1315128589.db2.gz QQPVBUNOJFVYOH-GOEBONIOSA-N 0 3 345.370 2.798 20 10 EFCDHN O=C1c2cccc(O[C@@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)c2C(=O)c2cccc([O-])c21 ZINC001218185897 1315161341 /nfs/dbraw/zinc/16/13/41/1315161341.db2.gz JIBFLNHMBZLWBS-CLLJXQQHSA-N 0 3 349.386 2.829 20 10 EFCDHN Cc1cc(CN2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)c([O-])cc1Br ZINC001250133712 1315177551 /nfs/dbraw/zinc/17/75/51/1315177551.db2.gz QNRFCDRQGOIITE-SMDDNHRTSA-N 0 3 325.250 2.599 20 10 EFCDHN Cc1cc(CN2C[C@@H]3CC[N@H+](C)[C@@H]3C2)c([O-])cc1Br ZINC001250133712 1315177554 /nfs/dbraw/zinc/17/75/54/1315177554.db2.gz QNRFCDRQGOIITE-SMDDNHRTSA-N 0 3 325.250 2.599 20 10 EFCDHN CCN1CCN(Cc2cc(C)c(Br)cc2O)C[C@H]1C ZINC001250135958 1315178079 /nfs/dbraw/zinc/17/80/79/1315178079.db2.gz LSOVKYYJOFKNMM-GFCCVEGCSA-N 0 3 327.266 2.989 20 10 EFCDHN CC[NH+]1C[C@@H]2CN(Cc3cc(C)c(Br)cc3[O-])C[C@H]2C1 ZINC001250136232 1315178347 /nfs/dbraw/zinc/17/83/47/1315178347.db2.gz OQQRVLOSOZBHSR-ZIAGYGMSSA-N 0 3 339.277 2.847 20 10 EFCDHN C[C@@H]1CC[NH2+]C[C@@H]1Oc1c(O)c([O-])ccc1C(=O)c1ccccc1 ZINC001218480913 1315202998 /nfs/dbraw/zinc/20/29/98/1315202998.db2.gz JDDRZVXKPOAJMH-WBMJQRKESA-N 0 3 327.380 2.706 20 10 EFCDHN O=C(C[C@H]1CCC[NH2+]C1)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001220212620 1315385350 /nfs/dbraw/zinc/38/53/50/1315385350.db2.gz QJTGQFSBNHFLAU-LLVKDONJSA-N 0 3 333.819 2.600 20 10 EFCDHN C[C@@H]1CC[NH2+][C@@H](C(=O)NCc2cc(Cl)c3cccnc3c2[O-])C1 ZINC001220212727 1315385724 /nfs/dbraw/zinc/38/57/24/1315385724.db2.gz UGBHUJUHOJPYCK-QMTHXVAHSA-N 0 3 333.819 2.598 20 10 EFCDHN CC(C)NC(=O)N1CC2(CN(Cc3cc4ccccc4cc3O)C2)C1 ZINC001276813974 1315422688 /nfs/dbraw/zinc/42/26/88/1315422688.db2.gz VXLFHGXQSGGOEB-UHFFFAOYSA-N 0 3 339.439 2.781 20 10 EFCDHN CC(C)c1ccc(CN2CC3(CN(Cc4cn[nH]c4)C3)C2)c(O)c1 ZINC001276814020 1315423721 /nfs/dbraw/zinc/42/37/21/1315423721.db2.gz ATZZCMCMTFWLPW-UHFFFAOYSA-N 0 3 326.444 2.557 20 10 EFCDHN CC[C@@H](C)CN1CC[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001039060596 1315434055 /nfs/dbraw/zinc/43/40/55/1315434055.db2.gz LXEGPYOEYWTOBR-DOMZBBRYSA-N 0 3 331.420 2.699 20 10 EFCDHN CCOc1ccc(CN2C[C@H]3CC[C@@H](C2)N3Cc2ccc[nH]2)c(O)c1 ZINC001276815286 1315441613 /nfs/dbraw/zinc/44/16/13/1315441613.db2.gz QPLZKGGKCQNTMV-HDICACEKSA-N 0 3 341.455 2.968 20 10 EFCDHN CC(C)(C)c1ccc(OC[C@@H](O)C[NH2+]Cc2ccc(O)cc2[O-])cc1 ZINC001252765001 1315503408 /nfs/dbraw/zinc/50/34/08/1315503408.db2.gz LEICRZIZEWUOPP-KRWDZBQOSA-N 0 3 345.439 2.925 20 10 EFCDHN C[C@H]([NH2+]C[C@](C)(O)C(=O)OCc1ccccc1)c1ccccc1[O-] ZINC001253652851 1315624155 /nfs/dbraw/zinc/62/41/55/1315624155.db2.gz FWAJOGUAQGBBIC-LIRRHRJNSA-N 0 3 329.396 2.537 20 10 EFCDHN CCOC(=O)[C@@H]1CCC[C@@H](N2CCN(c3ccc(OC)cc3)CC2)C1 ZINC001255356175 1315808626 /nfs/dbraw/zinc/80/86/26/1315808626.db2.gz HSIWMJXEZADLSC-SJLPKXTDSA-N 0 3 346.471 2.939 20 10 EFCDHN CC(C)NC(=O)NCCN(C)Cc1ccc(N2CCCCC2)cc1 ZINC000827719200 1316012484 /nfs/dbraw/zinc/01/24/84/1316012484.db2.gz GLNAZRBNEKIPEX-UHFFFAOYSA-N 0 3 332.492 2.816 20 10 EFCDHN CCOC(=O)c1ccc(C[C@H](C)[NH2+]Cc2cccc(O)c2[O-])cc1 ZINC001257150851 1316039834 /nfs/dbraw/zinc/03/98/34/1316039834.db2.gz HETAJVVUDOCVQS-ZDUSSCGKSA-N 0 3 329.396 2.995 20 10 EFCDHN CCOC(=O)c1ccc(C[C@@H](C)[NH2+]Cc2ccc(O)cc2[O-])cc1 ZINC001257156797 1316040892 /nfs/dbraw/zinc/04/08/92/1316040892.db2.gz WFVRWLIMFYCZAQ-CYBMUJFWSA-N 0 3 329.396 2.995 20 10 EFCDHN C[C@H]1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CN1CCCF ZINC001072102270 1316357991 /nfs/dbraw/zinc/35/79/91/1316357991.db2.gz NXGTWICFYUMUOM-WFASDCNBSA-N 0 3 349.410 2.791 20 10 EFCDHN COc1ccc(CNC2CN(C(=O)OCc3ccccc3)C2)c(O)c1 ZINC000397292023 1316397710 /nfs/dbraw/zinc/39/77/10/1316397710.db2.gz XQPMJGBAFIXXMB-UHFFFAOYSA-N 0 3 342.395 2.511 20 10 EFCDHN COc1ccc(C[NH2+]C2CN(C(=O)OCc3ccccc3)C2)c([O-])c1 ZINC000397292023 1316397714 /nfs/dbraw/zinc/39/77/14/1316397714.db2.gz XQPMJGBAFIXXMB-UHFFFAOYSA-N 0 3 342.395 2.511 20 10 EFCDHN CN(C)C(=O)OC1CCN(Cc2ccc(N3CCCC3)cc2)CC1 ZINC001261244944 1316398706 /nfs/dbraw/zinc/39/87/06/1316398706.db2.gz JMFYKGAJFOAOEB-UHFFFAOYSA-N 0 3 331.460 2.949 20 10 EFCDHN Nc1ccc(CNC(=O)N[C@H](CN2CCCC2)c2ccccc2)cc1 ZINC001262562034 1316472370 /nfs/dbraw/zinc/47/23/70/1316472370.db2.gz NHRKCCFCEZYXDD-LJQANCHMSA-N 0 3 338.455 2.905 20 10 EFCDHN Cc1cc(CNCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)n[nH]1 ZINC001318620355 1328653821 /nfs/dbraw/zinc/65/38/21/1328653821.db2.gz AEGJBCNCOFZOPA-ZIAGYGMSSA-N 0 3 332.423 2.761 20 10 EFCDHN C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(c3cnn(C)c3)C2)c2c1c(F)ccc2[O-] ZINC001320125387 1329090543 /nfs/dbraw/zinc/09/05/43/1329090543.db2.gz RTBMJSBFTIPLGR-TYNCELHUSA-N 0 3 330.407 2.682 20 10 EFCDHN C[C@H](C[S@@](C)=O)N[C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000753765232 1324796138 /nfs/dbraw/zinc/79/61/38/1324796138.db2.gz XWKSVGVBHOWCFB-GIYNXVAASA-N 0 3 344.908 2.594 20 10 EFCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CC(=O)NCC(C)C)c1[O-] ZINC001320765309 1329183108 /nfs/dbraw/zinc/18/31/08/1329183108.db2.gz WYQYFQXSNVUYML-LLVKDONJSA-N 0 3 343.265 2.886 20 10 EFCDHN C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001313393914 1325014712 /nfs/dbraw/zinc/01/47/12/1325014712.db2.gz GGZQPXHACCITJL-SFKBXODTSA-N 0 3 344.503 2.699 20 10 EFCDHN CCOc1ccc(N2CCN(CCC(=O)N3CCCCC3)CC2)cc1 ZINC001323646989 1329558491 /nfs/dbraw/zinc/55/84/91/1329558491.db2.gz LTBQDVHADJQLRH-UHFFFAOYSA-N 0 3 345.487 2.610 20 10 EFCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCN2CCC(CO)CC2)c1[O-] ZINC001324125682 1329601715 /nfs/dbraw/zinc/60/17/15/1329601715.db2.gz OYRIFUUUBBRJPC-CYBMUJFWSA-N 0 3 326.868 2.709 20 10 EFCDHN COc1ccc(N2CC[C@@H](CNC(=O)[C@H](N)C3CCCCC3)C2)cc1 ZINC001326315731 1329746721 /nfs/dbraw/zinc/74/67/21/1329746721.db2.gz BNDBGCOSJHGTFR-HNAYVOBHSA-N 0 3 345.487 2.545 20 10 EFCDHN CCOC[C@H]1CCCCN1Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001328219124 1330569703 /nfs/dbraw/zinc/56/97/03/1330569703.db2.gz FBRFEWZHBDYGBR-GOSISDBHSA-N 0 3 349.494 2.969 20 10 EFCDHN Cc1csc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)n1 ZINC001336086217 1331433841 /nfs/dbraw/zinc/43/38/41/1331433841.db2.gz YRGRPMSGLXWUNM-HNNXBMFYSA-N 0 3 332.473 2.550 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=S)NCC2CCC2)N(C)C)cc1 ZINC001336919171 1331517726 /nfs/dbraw/zinc/51/77/26/1331517726.db2.gz JJLUTKRFRMMDJC-KRWDZBQOSA-N 0 3 334.533 2.620 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=S)NCC2CCC2)N(C)C)cc1 ZINC001336919172 1331517769 /nfs/dbraw/zinc/51/77/69/1331517769.db2.gz JJLUTKRFRMMDJC-QGZVFWFLSA-N 0 3 334.533 2.620 20 10 EFCDHN CCN(C)c1ccc([C@H](C)N[C@@H](C)C(=O)NCC(F)(F)F)cc1 ZINC001337294680 1331558348 /nfs/dbraw/zinc/55/83/48/1331558348.db2.gz ROJIBSUGJAFIDH-RYUDHWBXSA-N 0 3 331.382 2.860 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CCOC(C)(C)C2)N(C)C)cc1 ZINC001337459713 1331577051 /nfs/dbraw/zinc/57/70/51/1331577051.db2.gz RPOVJKDWOYJERX-AEFFLSMTSA-N 0 3 347.503 2.677 20 10 EFCDHN Nc1ccc(CNC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)cc1 ZINC001343567303 1332358320 /nfs/dbraw/zinc/35/83/20/1332358320.db2.gz ORUSTIRGWWJCEH-QGZVFWFLSA-N 0 3 341.430 2.936 20 10 EFCDHN Cc1cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)oc1C ZINC001355059718 1334685312 /nfs/dbraw/zinc/68/53/12/1334685312.db2.gz HFIKNLIPGBKPRB-KRWDZBQOSA-N 0 3 329.444 2.995 20 10 EFCDHN COc1ccc(N2CC[C@@H](CN[C@@H]3CCCn4ccnc43)C2)cc1 ZINC000848553087 1334791154 /nfs/dbraw/zinc/79/11/54/1334791154.db2.gz IHNVQSJWYHKMNQ-MAUKXSAKSA-N 0 3 326.444 2.843 20 10 EFCDHN CCN(C)c1ccc([C@@H](C)NCc2n[nH]c([C@@H]3CCCO3)n2)cc1 ZINC000848557238 1334793012 /nfs/dbraw/zinc/79/30/12/1334793012.db2.gz IHHSZTTXAVHJSF-CJNGLKHVSA-N 0 3 329.448 2.963 20 10 EFCDHN Cc1ccc(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)c(O)c1O ZINC000177660236 713893510 /nfs/dbraw/zinc/89/35/10/713893510.db2.gz SOJLVNZIKNIQKB-KRWDZBQOSA-N 0 3 340.423 2.973 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CCCCS2)N(C)C)cc1 ZINC000891246711 714132616 /nfs/dbraw/zinc/13/26/16/714132616.db2.gz CFTNXFNJLSGVFH-SJORKVTESA-N 0 3 335.517 2.757 20 10 EFCDHN CCc1cncc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)c1 ZINC000891247897 714134684 /nfs/dbraw/zinc/13/46/84/714134684.db2.gz ISXWOJHEWMKXMB-IBGZPJMESA-N 0 3 340.471 2.743 20 10 EFCDHN CCc1[nH]ccc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891247396 714135043 /nfs/dbraw/zinc/13/50/43/714135043.db2.gz JUPKNHVLMIIDKS-SFHVURJKSA-N 0 3 328.460 2.676 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=O)c2ncoc2C2CC2)N(C)C)cc1 ZINC000891247352 714135301 /nfs/dbraw/zinc/13/53/01/714135301.db2.gz IZDAPDHTWAZTDT-MRXNPFEDSA-N 0 3 342.443 2.651 20 10 EFCDHN Cc1cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)ns1 ZINC000891247461 714135361 /nfs/dbraw/zinc/13/53/61/714135361.db2.gz HKVDVYCEVDDVIO-MRXNPFEDSA-N 0 3 332.473 2.550 20 10 EFCDHN CCC[C@H](OCC)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891248255 714137274 /nfs/dbraw/zinc/13/72/74/714137274.db2.gz XFULUQMRSQUZRE-ROUUACIJSA-N 0 3 335.492 2.677 20 10 EFCDHN CCOC1CC(CC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC000891249397 714138306 /nfs/dbraw/zinc/13/83/06/714138306.db2.gz SKRBMFAKLOBXGZ-XUJQIHCRSA-N 0 3 347.503 2.677 20 10 EFCDHN COC1CCC(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)CC1 ZINC000891249788 714139156 /nfs/dbraw/zinc/13/91/56/714139156.db2.gz WRHHGSQUMVNADZ-KVZIAJEVSA-N 0 3 347.503 2.677 20 10 EFCDHN CCCc1cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)no1 ZINC000891249662 714139268 /nfs/dbraw/zinc/13/92/68/714139268.db2.gz RUNLNAIWRBYUHR-GOSISDBHSA-N 0 3 344.459 2.726 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)c2cc(C3CC3)no2)N(C)C)cc1 ZINC000891249868 714139480 /nfs/dbraw/zinc/13/94/80/714139480.db2.gz UFEJIZQDIXZLOL-KRWDZBQOSA-N 0 3 342.443 2.651 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CCC(F)(F)C2)N(C)C)cc1 ZINC000891249776 714139519 /nfs/dbraw/zinc/13/95/19/714139519.db2.gz WPVJFVJACLZZPO-GOEBONIOSA-N 0 3 339.430 2.907 20 10 EFCDHN Cc1cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)cnc1F ZINC000891248900 714139827 /nfs/dbraw/zinc/13/98/27/714139827.db2.gz OJTROXUOTVHXMY-QGZVFWFLSA-N 0 3 344.434 2.628 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@]2(C)CC2(F)F)N(C)C)cc1 ZINC000891250611 714140797 /nfs/dbraw/zinc/14/07/97/714140797.db2.gz YFVGXIOVPKKFCF-ZBFHGGJFSA-N 0 3 325.403 2.517 20 10 EFCDHN C[C@@H]1CC[C@@H](CCC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)O1 ZINC000891251988 714142695 /nfs/dbraw/zinc/14/26/95/714142695.db2.gz JFABHMIGMTXOAU-AYOQOUSVSA-N 0 3 347.503 2.819 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)COC2CCCCC2)N(C)C)cc1 ZINC000891251274 714143768 /nfs/dbraw/zinc/14/37/68/714143768.db2.gz BKGUAHCGYMGJEA-IBGZPJMESA-N 0 3 347.503 2.821 20 10 EFCDHN CCO[C@H](CC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)C(C)C ZINC000891252756 714145968 /nfs/dbraw/zinc/14/59/68/714145968.db2.gz NPGIQFQLHFQRQT-RTBURBONSA-N 0 3 349.519 2.923 20 10 EFCDHN CC(C)n1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)n1 ZINC000891253121 714146553 /nfs/dbraw/zinc/14/65/53/714146553.db2.gz QWBQVVNTFWDXOI-GOSISDBHSA-N 0 3 343.475 2.563 20 10 EFCDHN C[C@@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1ccco1 ZINC000891253994 714147989 /nfs/dbraw/zinc/14/79/89/714147989.db2.gz VKIRFSMNBJIZBW-PBHICJAKSA-N 0 3 329.444 2.868 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)CCC(F)(F)F)N(C)C)cc1 ZINC000891253844 714148012 /nfs/dbraw/zinc/14/80/12/714148012.db2.gz UUXJCGQCILEUNI-AWEZNQCLSA-N 0 3 331.382 2.814 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)c2ccncc2Cl)N(C)C)cc1 ZINC000891254573 714148412 /nfs/dbraw/zinc/14/84/12/714148412.db2.gz ZMLRJDVBNNEKTG-KRWDZBQOSA-N 0 3 346.862 2.834 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)CCc2cscn2)N(C)C)cc1 ZINC000891255114 714149854 /nfs/dbraw/zinc/14/98/54/714149854.db2.gz MVMPRYVTNNGYIN-KRWDZBQOSA-N 0 3 346.500 2.561 20 10 EFCDHN CC(C)c1cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)[nH]n1 ZINC000891256531 714150952 /nfs/dbraw/zinc/15/09/52/714150952.db2.gz ZDRDDZOTKZTMHR-GOSISDBHSA-N 0 3 343.475 2.632 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)c2cc(Cl)ccn2)N(C)C)cc1 ZINC000891256411 714151063 /nfs/dbraw/zinc/15/10/63/714151063.db2.gz YHFGTWRMZIHZBV-KRWDZBQOSA-N 0 3 346.862 2.834 20 10 EFCDHN CC(C)=CCN1CC([C@H](C)NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000970954186 714177352 /nfs/dbraw/zinc/17/73/52/714177352.db2.gz LCSISBRXPSRCLA-ZDUSSCGKSA-N 0 3 343.431 2.865 20 10 EFCDHN COc1ccc(CN2CCCN(c3nccs3)CC2)c(O)c1OC ZINC000891802134 715028254 /nfs/dbraw/zinc/02/82/54/715028254.db2.gz OXXNKDABFPCUEQ-UHFFFAOYSA-N 0 3 349.456 2.578 20 10 EFCDHN CC(C)N1CC[C@@H](C[NH2+]Cc2cccc(Br)c2[O-])C1 ZINC000048797603 715508192 /nfs/dbraw/zinc/50/81/92/715508192.db2.gz LILJJLWRHGZOIN-LBPRGKRZSA-N 0 3 327.266 2.975 20 10 EFCDHN O=C1N[C@H]2C[N@H+](Cc3cc(-c4ccccc4)ccc3[O-])CC[C@@H]2CO1 ZINC000281211064 717120136 /nfs/dbraw/zinc/12/01/36/717120136.db2.gz JQKZNYSDFAFEKS-AEFFLSMTSA-N 0 3 338.407 2.990 20 10 EFCDHN O=C1N[C@H]2C[N@@H+](Cc3cc(-c4ccccc4)ccc3[O-])CC[C@@H]2CO1 ZINC000281211064 717120138 /nfs/dbraw/zinc/12/01/38/717120138.db2.gz JQKZNYSDFAFEKS-AEFFLSMTSA-N 0 3 338.407 2.990 20 10 EFCDHN CN(C)CCNC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000255635626 717291528 /nfs/dbraw/zinc/29/15/28/717291528.db2.gz BMJQMOYYDPJAJI-UHFFFAOYSA-N 0 3 339.399 2.718 20 10 EFCDHN C[C@@H]([NH2+]C[C@H]1COCCN1C(=O)OC(C)(C)C)c1ccccc1[O-] ZINC000310080034 717424043 /nfs/dbraw/zinc/42/40/43/717424043.db2.gz UQCLXQKAZBUCEB-KGLIPLIRSA-N 0 3 336.432 2.679 20 10 EFCDHN Cc1ccc([C@@H](CNC(=O)c2ccc(C)c(O)c2O)N(C)C)cc1 ZINC000177676850 718158607 /nfs/dbraw/zinc/15/86/07/718158607.db2.gz SYRWNJJBKBUZFT-MRXNPFEDSA-N 0 3 328.412 2.747 20 10 EFCDHN COc1ccc(N2CCN(C(=O)[C@H](N)CC3CCCCC3)CC2)cc1 ZINC000327820303 718607258 /nfs/dbraw/zinc/60/72/58/718607258.db2.gz MQPYTSMBLNKHCQ-LJQANCHMSA-N 0 3 345.487 2.642 20 10 EFCDHN CCO[C@H]1C[C@@](N)(C(=O)N(CC)Cc2ccc(N(C)C)cc2)C1(C)C ZINC000328533709 719324112 /nfs/dbraw/zinc/32/41/12/719324112.db2.gz QUSYIKYCBXAOOI-FXAWDEMLSA-N 0 3 347.503 2.634 20 10 EFCDHN COc1ccc(O)c([C@H](C)NCC(=O)N(C)Cc2ccccc2F)c1 ZINC000182426617 720129731 /nfs/dbraw/zinc/12/97/31/720129731.db2.gz UPQJMVWOAWHLFD-ZDUSSCGKSA-N 0 3 346.402 2.849 20 10 EFCDHN COC[C@@H]1CN(Cc2c(O)ccc3ccc(OC)cc32)C[C@@H](C)O1 ZINC000249769112 720793570 /nfs/dbraw/zinc/79/35/70/720793570.db2.gz JEMSYWGDCJIQPV-CJNGLKHVSA-N 0 3 331.412 2.790 20 10 EFCDHN COC[C@@H]1C[N@H+](Cc2c([O-])ccc3ccc(OC)cc32)C[C@@H](C)O1 ZINC000249769112 720793573 /nfs/dbraw/zinc/79/35/73/720793573.db2.gz JEMSYWGDCJIQPV-CJNGLKHVSA-N 0 3 331.412 2.790 20 10 EFCDHN COC[C@@H]1C[N@@H+](Cc2c([O-])ccc3ccc(OC)cc32)C[C@@H](C)O1 ZINC000249769112 720793575 /nfs/dbraw/zinc/79/35/75/720793575.db2.gz JEMSYWGDCJIQPV-CJNGLKHVSA-N 0 3 331.412 2.790 20 10 EFCDHN COC(=O)[C@H](C)Oc1ccccc1C[NH2+]Cc1ccc(OC)cc1[O-] ZINC000894184611 721181697 /nfs/dbraw/zinc/18/16/97/721181697.db2.gz DGSOISWCBWMAAS-ZDUSSCGKSA-N 0 3 345.395 2.631 20 10 EFCDHN COC(=O)[C@H](C)Oc1ccccc1CNCc1ccc(OC)cc1O ZINC000894184611 721181700 /nfs/dbraw/zinc/18/17/00/721181700.db2.gz DGSOISWCBWMAAS-ZDUSSCGKSA-N 0 3 345.395 2.631 20 10 EFCDHN COc1ccc(C[NH2+]C2CC(CNC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000894185658 721182772 /nfs/dbraw/zinc/18/27/72/721182772.db2.gz RHSFUCNKKUMOHW-UHFFFAOYSA-N 0 3 336.432 2.794 20 10 EFCDHN COc1cc(C)cc(CN[C@H]2CCN(Cc3ccccc3)C2=O)c1O ZINC000894212141 721261713 /nfs/dbraw/zinc/26/17/13/721261713.db2.gz YTHUGWIJNWMNHO-KRWDZBQOSA-N 0 3 340.423 2.600 20 10 EFCDHN COc1cc(C)cc(CN[C@@H]2CCN(c3ccccc3F)C2=O)c1O ZINC000894251414 721743857 /nfs/dbraw/zinc/74/38/57/721743857.db2.gz VHWPUILNVFJYDK-OAHLLOKOSA-N 0 3 344.386 2.743 20 10 EFCDHN COc1cc(C)cc(CN2CCCC[C@@H]2COC(=O)N(C)C)c1O ZINC000894753691 722836625 /nfs/dbraw/zinc/83/66/25/722836625.db2.gz XJIMEPSRKKDXAD-OAHLLOKOSA-N 0 3 336.432 2.762 20 10 EFCDHN Cc1nc([C@@H]2CC[N@H+](Cc3cccc(Br)c3[O-])C2)n[nH]1 ZINC000895007588 723052174 /nfs/dbraw/zinc/05/21/74/723052174.db2.gz KGTYYWPYURTOAD-LLVKDONJSA-N 0 3 337.221 2.571 20 10 EFCDHN Cc1nc([C@@H]2CC[N@@H+](Cc3cccc(Br)c3[O-])C2)n[nH]1 ZINC000895007588 723052175 /nfs/dbraw/zinc/05/21/75/723052175.db2.gz KGTYYWPYURTOAD-LLVKDONJSA-N 0 3 337.221 2.571 20 10 EFCDHN CC(C)(C)OC(=O)N1CCO[C@]2(CC[N@H+](Cc3ccccc3[O-])C2)C1 ZINC000896168193 723177454 /nfs/dbraw/zinc/17/74/54/723177454.db2.gz ODTRXFBLBULMQO-IBGZPJMESA-N 0 3 348.443 2.604 20 10 EFCDHN CC(C)(C)OC(=O)N1CCO[C@]2(CC[N@@H+](Cc3ccccc3[O-])C2)C1 ZINC000896168193 723177455 /nfs/dbraw/zinc/17/74/55/723177455.db2.gz ODTRXFBLBULMQO-IBGZPJMESA-N 0 3 348.443 2.604 20 10 EFCDHN C=C/C=C\CCNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000896437232 723301893 /nfs/dbraw/zinc/30/18/93/723301893.db2.gz MQEKURMAHZGKHU-JTHGQSKGSA-N 0 3 330.476 2.787 20 10 EFCDHN CCN1CCC[C@H]([NH2+]Cc2cc(Br)cc(C)c2[O-])C1=O ZINC000896732646 723454527 /nfs/dbraw/zinc/45/45/27/723454527.db2.gz AVYAJTDHTGAWIW-ZDUSSCGKSA-N 0 3 341.249 2.564 20 10 EFCDHN Cc1cc(F)ncc1CNCc1ccc(N2CCC(O)CC2)cc1 ZINC000895450624 724139754 /nfs/dbraw/zinc/13/97/54/724139754.db2.gz CDKLWDMHJNLPIH-UHFFFAOYSA-N 0 3 329.419 2.780 20 10 EFCDHN Cc1ccc(CN[C@H]2CCN(c3c(F)cccc3F)C2=O)c(O)c1 ZINC000895495546 724167053 /nfs/dbraw/zinc/16/70/53/724167053.db2.gz SDALDNUKQYRAAH-HNNXBMFYSA-N 0 3 332.350 2.874 20 10 EFCDHN CC(=O)N1C[C@@H]2C[N@@H+](Cc3cc(-c4ccccc4)ccc3[O-])C[C@@H]2C1 ZINC000895575318 724200484 /nfs/dbraw/zinc/20/04/84/724200484.db2.gz ASHOZUIMSVODFO-BGYRXZFFSA-N 0 3 336.435 2.969 20 10 EFCDHN CC(=O)N1C[C@@H]2C[N@H+](Cc3cc(-c4ccccc4)ccc3[O-])C[C@@H]2C1 ZINC000895575318 724200487 /nfs/dbraw/zinc/20/04/87/724200487.db2.gz ASHOZUIMSVODFO-BGYRXZFFSA-N 0 3 336.435 2.969 20 10 EFCDHN CCO/C=C/[C@](O)(CNCc1ccc(N(C)C)cc1C)C(F)(F)F ZINC000895715221 724274946 /nfs/dbraw/zinc/27/49/46/724274946.db2.gz AOXCFERZYYVWKZ-FDMDGMSGSA-N 0 3 346.393 2.994 20 10 EFCDHN C[C@@H]([NH2+][C@@H]1COCCN(C(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC000895850613 724350892 /nfs/dbraw/zinc/35/08/92/724350892.db2.gz CJEVWPWPAWLLMD-KGLIPLIRSA-N 0 3 336.432 2.679 20 10 EFCDHN COc1cccc([O-])c1C[NH2+]CC1(N2CCCCC2)CCOCC1 ZINC000732231206 727007840 /nfs/dbraw/zinc/00/78/40/727007840.db2.gz LPEHYDNZJUTEAJ-UHFFFAOYSA-N 0 3 334.460 2.526 20 10 EFCDHN CN(CCn1cc([N+](=O)[O-])cn1)Cc1ccc(N2CCCCC2)cc1 ZINC000174812302 727125582 /nfs/dbraw/zinc/12/55/82/727125582.db2.gz NWBIJZZNBYGWBX-UHFFFAOYSA-N 0 3 343.431 2.914 20 10 EFCDHN O=C(NCc1ccc(O)cc1O)c1cccc(CN2CCCC2)c1 ZINC000910951078 727472719 /nfs/dbraw/zinc/47/27/19/727472719.db2.gz ADBNZYPUSAZPHE-UHFFFAOYSA-N 0 3 326.396 2.624 20 10 EFCDHN CCN(CC)c1ccc(CN[C@@H](C)C(=O)NCc2ccco2)cc1 ZINC000111399431 727671922 /nfs/dbraw/zinc/67/19/22/727671922.db2.gz QGLXDDIGCRYIAP-HNNXBMFYSA-N 0 3 329.444 2.920 20 10 EFCDHN COc1ccc(O)c([C@@H](C)NCC(=O)Nc2ccc(F)cc2F)c1 ZINC000182349611 728110912 /nfs/dbraw/zinc/11/09/12/728110912.db2.gz NCUUSXILODPHJA-SNVBAGLBSA-N 0 3 336.338 2.968 20 10 EFCDHN COc1ccc(O)c([C@H](C)NCC(=O)N[C@H](C)c2ccccc2)c1 ZINC000182431775 728149574 /nfs/dbraw/zinc/14/95/74/728149574.db2.gz GSAGCAANTUSOMM-KGLIPLIRSA-N 0 3 328.412 2.929 20 10 EFCDHN COc1ccc(O)c([C@@H](C)NCC(=O)N([C@@H](C)C2CC2)C2CC2)c1 ZINC000182414042 728152348 /nfs/dbraw/zinc/15/23/48/728152348.db2.gz DFMXFRVZAMXEBC-OLZOCXBDSA-N 0 3 332.444 2.841 20 10 EFCDHN COc1ccc(O)c([C@@H](C)NCC(=O)NCCc2ccccc2C)c1 ZINC000182444130 728162820 /nfs/dbraw/zinc/16/28/20/728162820.db2.gz GYCMXPBYRZMKGX-OAHLLOKOSA-N 0 3 342.439 2.719 20 10 EFCDHN O=S(=O)(CCNCc1ccccc1O)c1ccc(Cl)cc1 ZINC000171128989 728516532 /nfs/dbraw/zinc/51/65/32/728516532.db2.gz YGTWCLWHRWEAAO-UHFFFAOYSA-N 0 3 325.817 2.609 20 10 EFCDHN O=S(=O)(CC[NH2+]Cc1ccccc1[O-])c1ccc(Cl)cc1 ZINC000171128989 728516534 /nfs/dbraw/zinc/51/65/34/728516534.db2.gz YGTWCLWHRWEAAO-UHFFFAOYSA-N 0 3 325.817 2.609 20 10 EFCDHN COc1ccc(O)c(CNC(=O)Nc2cccc(CN(C)C)c2)c1 ZINC000172019649 728563294 /nfs/dbraw/zinc/56/32/94/728563294.db2.gz VZLZVFPOTQGGBE-UHFFFAOYSA-N 0 3 329.400 2.784 20 10 EFCDHN CCC[C@H](C)NC(=O)[C@@H](C)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000920871019 729238462 /nfs/dbraw/zinc/23/84/62/729238462.db2.gz VRRKMHBKAVNAAX-GVDBMIGSSA-N 0 3 347.503 2.867 20 10 EFCDHN CCOc1ccc(C[NH2+][C@](C)(CO)Cc2ccccc2OC)c([O-])c1 ZINC000865715932 1126115246 /nfs/dbraw/zinc/11/52/46/1126115246.db2.gz IDWBZSZPCQJWOC-FQEVSTJZSA-N 0 3 345.439 2.883 20 10 EFCDHN COc1cc(C)cc(CNc2ccc([C@@H]3CNCCO3)cc2)c1O ZINC001579145795 1090526437 /nfs/dbraw/zinc/52/64/37/1090526437.db2.gz XCMXUIFVPOQWDD-SFHVURJKSA-N 0 3 328.412 2.982 20 10 EFCDHN COc1ccc(N(CCc2ccccc2)C[C@H]2CNCCO2)cc1 ZINC001579224736 1090551214 /nfs/dbraw/zinc/55/12/14/1090551214.db2.gz URZABBSTJRHQJA-HXUWFJFHSA-N 0 3 326.440 2.733 20 10 EFCDHN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CCN[C@@H](C(C)C)C1 ZINC001579617957 1090644862 /nfs/dbraw/zinc/64/48/62/1090644862.db2.gz XIYVHEMQJOATPW-QFBILLFUSA-N 0 3 346.519 2.631 20 10 EFCDHN C[C@H]([NH2+]Cc1ccc(F)cc1-c1nnn[n-]1)c1ccc(N(C)C)cc1 ZINC001589970922 1093202256 /nfs/dbraw/zinc/20/22/56/1093202256.db2.gz SXBLMEQESUQMFZ-LBPRGKRZSA-N 0 3 340.406 2.923 20 10 EFCDHN C[C@H]([NH2+]Cc1ccc(F)cc1-c1nn[n-]n1)c1ccc(N(C)C)cc1 ZINC001589970922 1093202261 /nfs/dbraw/zinc/20/22/61/1093202261.db2.gz SXBLMEQESUQMFZ-LBPRGKRZSA-N 0 3 340.406 2.923 20 10 EFCDHN CCc1cccc(C[N@H+](C)Cc2cc(-c3nnn[n-]3)cs2)c1O ZINC001590896251 1093624528 /nfs/dbraw/zinc/62/45/28/1093624528.db2.gz DJPPKSRAEQZKDQ-UHFFFAOYSA-N 0 3 329.429 2.828 20 10 EFCDHN CCc1cccc(C[N@@H+](C)Cc2cc(-c3nnn[n-]3)cs2)c1O ZINC001590896251 1093624530 /nfs/dbraw/zinc/62/45/30/1093624530.db2.gz DJPPKSRAEQZKDQ-UHFFFAOYSA-N 0 3 329.429 2.828 20 10 EFCDHN COc1ccc(C[NH2+][C@H](C)c2ccc(C)cc2O)cc1-c1nnn[n-]1 ZINC001591596191 1093786196 /nfs/dbraw/zinc/78/61/96/1093786196.db2.gz HXCKOEXCOPXIML-GFCCVEGCSA-N 0 3 339.399 2.740 20 10 EFCDHN COc1cccc(C[N@H+](C)[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1O ZINC001591638232 1093810188 /nfs/dbraw/zinc/81/01/88/1093810188.db2.gz OZAGWDHKISHOKE-GFCCVEGCSA-N 0 3 339.399 2.774 20 10 EFCDHN COc1cccc(C[N@@H+](C)[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1O ZINC001591638232 1093810192 /nfs/dbraw/zinc/81/01/92/1093810192.db2.gz OZAGWDHKISHOKE-GFCCVEGCSA-N 0 3 339.399 2.774 20 10 EFCDHN C[C@H]([NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(N(C)C)cc1 ZINC001603667793 1096585001 /nfs/dbraw/zinc/58/50/01/1096585001.db2.gz IKUJYSASYQJETK-LBPRGKRZSA-N 0 3 340.406 2.923 20 10 EFCDHN C[C@H]([NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(N(C)C)cc1 ZINC001603667793 1096585010 /nfs/dbraw/zinc/58/50/10/1096585010.db2.gz IKUJYSASYQJETK-LBPRGKRZSA-N 0 3 340.406 2.923 20 10 EFCDHN CN(C)c1ccc(/C=C/C[NH2+]CCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001604700059 1096934427 /nfs/dbraw/zinc/93/44/27/1096934427.db2.gz BBHBTUBCROGGQC-ONEGZZNKSA-N 0 3 348.454 2.778 20 10 EFCDHN CN(C)c1ccc(/C=C/C[NH2+]CCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001604700059 1096934433 /nfs/dbraw/zinc/93/44/33/1096934433.db2.gz BBHBTUBCROGGQC-ONEGZZNKSA-N 0 3 348.454 2.778 20 10 EFCDHN CN(C)c1ccc(C[NH2+][C@H]2CCc3ccc(-c4nnn[n-]4)cc32)cc1 ZINC001609270783 1098233778 /nfs/dbraw/zinc/23/37/78/1098233778.db2.gz YSIRWALEPQZYFQ-SFHVURJKSA-N 0 3 334.427 2.710 20 10 EFCDHN CN(C)c1ccc(C[NH2+][C@H]2CCc3ccc(-c4nn[n-]n4)cc32)cc1 ZINC001609270783 1098233781 /nfs/dbraw/zinc/23/37/81/1098233781.db2.gz YSIRWALEPQZYFQ-SFHVURJKSA-N 0 3 334.427 2.710 20 10 EFCDHN Cc1cc(CN2CCC[C@@]3(CC[NH2+]3)C2)c([O-])cc1Br ZINC001222287760 1098731451 /nfs/dbraw/zinc/73/14/51/1098731451.db2.gz QJRFIMIRVVJEKI-OAHLLOKOSA-N 0 3 325.250 2.791 20 10 EFCDHN CN(C)c1ccc(/C=C/C(=O)N2CC3(CCN3C3CCCC3)C2)cc1 ZINC001270932705 1100284413 /nfs/dbraw/zinc/28/44/13/1100284413.db2.gz PMFZDALNOXWWBN-FMIVXFBMSA-N 0 3 339.483 2.995 20 10 EFCDHN Cn1ccc2ccnc(NCc3ccc(N4CCN(C)CC4)cc3)c21 ZINC001167431027 1101611113 /nfs/dbraw/zinc/61/11/13/1101611113.db2.gz BZEORGZLUUESJG-UHFFFAOYSA-N 0 3 335.455 2.937 20 10 EFCDHN CC[C@@H]([NH2+]CC1(N2CCOCC2)CCOCC1)c1ccc(C)cc1[O-] ZINC000840781843 1101680392 /nfs/dbraw/zinc/68/03/92/1101680392.db2.gz XPIWNEMWFRUBCT-GOSISDBHSA-N 0 3 348.487 2.623 20 10 EFCDHN COc1cc(Br)cc(C[NH2+]Cc2ccn(C)c2)c1[O-] ZINC000748099392 1101894291 /nfs/dbraw/zinc/89/42/91/1101894291.db2.gz TWIMBIDPNQNQCN-UHFFFAOYSA-N 0 3 325.206 2.792 20 10 EFCDHN CN(C)[C@@H](CNC(=O)/C=C\c1ccc(O)c(O)c1)c1ccccc1 ZINC000588403534 1101903015 /nfs/dbraw/zinc/90/30/15/1101903015.db2.gz OJCSDLVXKQRPST-SLWQEBJJSA-N 0 3 326.396 2.530 20 10 EFCDHN C[C@H]1COCCN1CC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000729678737 1104768773 /nfs/dbraw/zinc/76/87/73/1104768773.db2.gz IERRUSFVPAWRHY-INIZCTEOSA-N 0 3 326.440 2.870 20 10 EFCDHN CN(C)CCN(CC1CCCCC1)C(=O)NCCc1ccc(N)cc1 ZINC000841955270 1106043114 /nfs/dbraw/zinc/04/31/14/1106043114.db2.gz XXWCGWZBSWJEMT-UHFFFAOYSA-N 0 3 346.519 2.965 20 10 EFCDHN COc1ccc(CN(CCCO)Cc2c(O)cccc2OC)cc1 ZINC000898172382 1106258322 /nfs/dbraw/zinc/25/83/22/1106258322.db2.gz FMDPTBGGFLPCGU-UHFFFAOYSA-N 0 3 331.412 2.794 20 10 EFCDHN CN(C)c1ccc([C@@H](CNCc2ncc(Cl)n2C)N(C)C)cc1 ZINC000898449378 1108942789 /nfs/dbraw/zinc/94/27/89/1108942789.db2.gz CZHGVNDFNHNKGL-OAHLLOKOSA-N 0 3 335.883 2.532 20 10 EFCDHN Cc1cccc([O-])c1C[NH2+][C@@H]1CCc2ncc(Br)n2C1 ZINC000898720190 1109062235 /nfs/dbraw/zinc/06/22/35/1109062235.db2.gz KAEZMKMLHBEZHG-LLVKDONJSA-N 0 3 336.233 2.764 20 10 EFCDHN Cc1cccc([O-])c1C[NH2+][C@H]1CCc2ncc(Br)n2C1 ZINC000898720191 1109062315 /nfs/dbraw/zinc/06/23/15/1109062315.db2.gz KAEZMKMLHBEZHG-NSHDSACASA-N 0 3 336.233 2.764 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)N2CCC[C@@H]2C2CC2)N(C)C)cc1 ZINC000899102541 1109202757 /nfs/dbraw/zinc/20/27/57/1109202757.db2.gz QKSYGFKATYJMGJ-MOPGFXCFSA-N 0 3 344.503 2.939 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=O)N2CCC[C@@H]2C2CC2)N(C)C)cc1 ZINC000899102547 1109203072 /nfs/dbraw/zinc/20/30/72/1109203072.db2.gz QKSYGFKATYJMGJ-RTBURBONSA-N 0 3 344.503 2.939 20 10 EFCDHN CC1=CCCN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC000899104191 1109203137 /nfs/dbraw/zinc/20/31/37/1109203137.db2.gz QNULCFWFTYVZKS-SFHVURJKSA-N 0 3 330.476 2.717 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)N2CCCC3(CC3)C2)N(C)C)cc1 ZINC000899104719 1109203490 /nfs/dbraw/zinc/20/34/90/1109203490.db2.gz SOAXGFZSDXDDKD-SFHVURJKSA-N 0 3 344.503 2.941 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=O)N2CCCC3(CC3)C2)N(C)C)cc1 ZINC000899104718 1109203779 /nfs/dbraw/zinc/20/37/79/1109203779.db2.gz SOAXGFZSDXDDKD-GOSISDBHSA-N 0 3 344.503 2.941 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)N(C)CCC2CC2)N(C)C)cc1 ZINC000899105470 1109204097 /nfs/dbraw/zinc/20/40/97/1109204097.db2.gz WWYGQVOEOUAWKB-SFHVURJKSA-N 0 3 332.492 2.797 20 10 EFCDHN CCN(CC1CC1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899100650 1109207981 /nfs/dbraw/zinc/20/79/81/1109207981.db2.gz BLFUKYOWPIYIJK-SFHVURJKSA-N 0 3 332.492 2.797 20 10 EFCDHN C[C@@H]1CC[C@H](C)N1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899100584 1109208142 /nfs/dbraw/zinc/20/81/42/1109208142.db2.gz ASNNUWVVCHEURZ-RVKKMQEKSA-N 0 3 332.492 2.938 20 10 EFCDHN CC(C)[C@H]1CCN1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899100934 1109208154 /nfs/dbraw/zinc/20/81/54/1109208154.db2.gz DDCZUXIBGFUDCN-QZTJIDSGSA-N 0 3 332.492 2.795 20 10 EFCDHN COc1ccc(N2CCN(C(=O)CN(C)[C@H](C)C(C)(C)C)CC2)cc1 ZINC000914574599 1111265472 /nfs/dbraw/zinc/26/54/72/1111265472.db2.gz RIHLXJXTTZUXTH-MRXNPFEDSA-N 0 3 347.503 2.710 20 10 EFCDHN COC(C)(C)CN1CCC2(CC[NH+](Cc3ccccc3[O-])CC2)C1=O ZINC001272618471 1111753403 /nfs/dbraw/zinc/75/34/03/1111753403.db2.gz JAANHOWZURAYQK-UHFFFAOYSA-N 0 3 346.471 2.632 20 10 EFCDHN O=C1CCC2(CC[NH+](Cc3ccccc3[O-])CC2)CN1CC(F)F ZINC001272619163 1111754803 /nfs/dbraw/zinc/75/48/03/1111754803.db2.gz RYHZNSOHBHEPJC-UHFFFAOYSA-N 0 3 338.398 2.862 20 10 EFCDHN COC(C)(C)CNC(=O)[C@@H]1CC12CC[NH+](Cc1ccccc1[O-])CC2 ZINC001272619709 1111755163 /nfs/dbraw/zinc/75/51/63/1111755163.db2.gz YMPJWAFWGHWKST-INIZCTEOSA-N 0 3 346.471 2.536 20 10 EFCDHN COc1ccc(C[N@@H+]2CCC[C@@]23CCN(CC=C(C)C)C3=O)c([O-])c1 ZINC001272624650 1111763643 /nfs/dbraw/zinc/76/36/43/1111763643.db2.gz AIFFOXIOMHFOTP-FQEVSTJZSA-N 0 3 344.455 2.934 20 10 EFCDHN COc1ccc(C[N@H+]2CCC[C@@]23CCN(CC=C(C)C)C3=O)c([O-])c1 ZINC001272624650 1111763648 /nfs/dbraw/zinc/76/36/48/1111763648.db2.gz AIFFOXIOMHFOTP-FQEVSTJZSA-N 0 3 344.455 2.934 20 10 EFCDHN COc1cccc(CN2CCC[C@@]23CCN(CC=C(C)C)C3=O)c1O ZINC001272625090 1111765321 /nfs/dbraw/zinc/76/53/21/1111765321.db2.gz HKYUFLVADYAFDL-FQEVSTJZSA-N 0 3 344.455 2.934 20 10 EFCDHN COc1ccc(C[N@@H+]2CC[C@@]3(CCN(C4CCCC4)C3=O)C2)c([O-])c1 ZINC001272626449 1111767748 /nfs/dbraw/zinc/76/77/48/1111767748.db2.gz XLXCGBHVQDOQRG-HXUWFJFHSA-N 0 3 344.455 2.768 20 10 EFCDHN COc1ccc(C[N@H+]2CC[C@@]3(CCN(C4CCCC4)C3=O)C2)c([O-])c1 ZINC001272626449 1111767753 /nfs/dbraw/zinc/76/77/53/1111767753.db2.gz XLXCGBHVQDOQRG-HXUWFJFHSA-N 0 3 344.455 2.768 20 10 EFCDHN CC[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(OC)cc1[O-] ZINC001272626390 1111768127 /nfs/dbraw/zinc/76/81/27/1111768127.db2.gz WTKRCQRMACPTCA-IAOVAPTHSA-N 0 3 332.444 2.765 20 10 EFCDHN CC[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccc(OC)cc1[O-] ZINC001272626390 1111768132 /nfs/dbraw/zinc/76/81/32/1111768132.db2.gz WTKRCQRMACPTCA-IAOVAPTHSA-N 0 3 332.444 2.765 20 10 EFCDHN COc1ccc(O)c(CN2CCC[C@@]23CCN(CC=C(C)C)C3=O)c1 ZINC001272637241 1111786470 /nfs/dbraw/zinc/78/64/70/1111786470.db2.gz KRESPNVWGWXWFW-FQEVSTJZSA-N 0 3 344.455 2.934 20 10 EFCDHN CC[C@@H](C)N1CC[C@]2(CCCN2Cc2cc(OC)ccc2O)C1=O ZINC001272637742 1111788278 /nfs/dbraw/zinc/78/82/78/1111788278.db2.gz NANKNLCTCGFHEC-AUUYWEPGSA-N 0 3 332.444 2.766 20 10 EFCDHN COc1ccc(O)c([C@@H](C)NCC(=O)NCc2sccc2C)c1 ZINC000182450715 1118608843 /nfs/dbraw/zinc/60/88/43/1118608843.db2.gz NVPLFKGBOGPEIQ-GFCCVEGCSA-N 0 3 334.441 2.738 20 10 EFCDHN Cc1cc(O)c(CN2CC[C@@H](O)[C@@H](F)CC2)cc1Br ZINC001237676158 1118789885 /nfs/dbraw/zinc/78/98/85/1118789885.db2.gz GGAWOHAZVFHNRR-QWHCGFSZSA-N 0 3 332.213 2.758 20 10 EFCDHN Cc1cc([O-])c(C[N@@H+]2CC[C@@H](O)[C@@H](F)CC2)cc1Br ZINC001237676158 1118789889 /nfs/dbraw/zinc/78/98/89/1118789889.db2.gz GGAWOHAZVFHNRR-QWHCGFSZSA-N 0 3 332.213 2.758 20 10 EFCDHN Cc1cc([O-])c(C[N@H+]2CC[C@@H](O)[C@@H](F)CC2)cc1Br ZINC001237676158 1118789891 /nfs/dbraw/zinc/78/98/91/1118789891.db2.gz GGAWOHAZVFHNRR-QWHCGFSZSA-N 0 3 332.213 2.758 20 10 EFCDHN CC[C@H](NCc1ccc(N2CCOCC2)c(F)c1)c1cnn(C)c1 ZINC000165169837 529627036 /nfs/dbraw/zinc/62/70/36/529627036.db2.gz QTMLJHOUFLTLTK-KRWDZBQOSA-N 0 3 332.423 2.637 20 10 EFCDHN C[C@H](NCCC(=O)N1CCCCC1)c1ccc(N2CCOCC2)cc1 ZINC000163489190 239104563 /nfs/dbraw/zinc/10/45/63/239104563.db2.gz QQGVHFHPABTVDW-KRWDZBQOSA-N 0 3 345.487 2.576 20 10 EFCDHN Cn1cc(CN[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cn1 ZINC000174621667 239235771 /nfs/dbraw/zinc/23/57/71/239235771.db2.gz JCMSKFHAIUIOAQ-CQSZACIVSA-N 0 3 336.386 2.780 20 10 EFCDHN O=C1[C@@H]([NH2+]Cc2ccccc2[O-])CCCN1Cc1ccc(F)cc1F ZINC000190475449 239919250 /nfs/dbraw/zinc/91/92/50/239919250.db2.gz MRDARQFPVMFHRF-KRWDZBQOSA-N 0 3 346.377 2.951 20 10 EFCDHN C[C@@H](O)[C@@](C)(C[NH2+]Cc1cc2c(cc1[O-])OCO2)Cc1ccccc1 ZINC000191709387 240002493 /nfs/dbraw/zinc/00/24/93/240002493.db2.gz KLBIWXMWGHSFBY-JLTOFOAXSA-N 0 3 343.423 2.840 20 10 EFCDHN COc1cccc(CN[C@@H]2CCN(Cc3ccc(C)cc3)C2=O)c1O ZINC000191801416 240008128 /nfs/dbraw/zinc/00/81/28/240008128.db2.gz PRDUASDQVVZGJR-QGZVFWFLSA-N 0 3 340.423 2.600 20 10 EFCDHN Cc1ccc(CN2CC[C@H]([NH2+]Cc3cc(F)ccc3[O-])C2=O)cc1 ZINC000191808707 240008523 /nfs/dbraw/zinc/00/85/23/240008523.db2.gz CKZLICVJWFMKCU-KRWDZBQOSA-N 0 3 328.387 2.730 20 10 EFCDHN C[C@H]1C[C@@H](NC(=O)Cc2ccc(N)cc2)CCN1Cc1ccccc1 ZINC000237531798 240244444 /nfs/dbraw/zinc/24/44/44/240244444.db2.gz UHUAYPXFHPSREA-JXFKEZNVSA-N 0 3 337.467 2.981 20 10 EFCDHN C[C@H]1C[C@H](NC(=O)Cc2ccc(N)cc2)CCN1Cc1ccccc1 ZINC000237563835 240246617 /nfs/dbraw/zinc/24/66/17/240246617.db2.gz UHUAYPXFHPSREA-OXJNMPFZSA-N 0 3 337.467 2.981 20 10 EFCDHN CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000236919311 240236067 /nfs/dbraw/zinc/23/60/67/240236067.db2.gz AJBHXFDOJVJBGK-GWCFXTLKSA-N 0 3 341.249 2.631 20 10 EFCDHN CC(C)NS(=O)(=O)Cc1ccc(C[NH2+]Cc2ccccc2[O-])cc1 ZINC000236727383 240236687 /nfs/dbraw/zinc/23/66/87/240236687.db2.gz IQYWFJOFWOOATN-UHFFFAOYSA-N 0 3 348.468 2.510 20 10 EFCDHN CCCOc1ccc(C[NH2+]C2CCN(C(=O)C(C)C)CC2)c([O-])c1 ZINC000236806738 240236828 /nfs/dbraw/zinc/23/68/28/240236828.db2.gz RTVHTNDOIDCICM-UHFFFAOYSA-N 0 3 334.460 2.918 20 10 EFCDHN COc1cccc(C[NH2+]C2CCN(Cc3ccccn3)CC2)c1[O-] ZINC000237365618 240242386 /nfs/dbraw/zinc/24/23/86/240242386.db2.gz FKKJNHUAAIWKJT-UHFFFAOYSA-N 0 3 327.428 2.550 20 10 EFCDHN [O-]c1ccc(Br)cc1C[NH2+][C@H]1CCN2CCCC[C@H]12 ZINC000263724826 240389553 /nfs/dbraw/zinc/38/95/53/240389553.db2.gz WXMSVDHVYPTOFA-UONOGXRCSA-N 0 3 325.250 2.871 20 10 EFCDHN Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H](N2CCOCC2)C(F)(F)F)c([O-])c1 ZINC000294262529 241038271 /nfs/dbraw/zinc/03/82/71/241038271.db2.gz LMFLFSWPIPCJTE-UKRRQHHQSA-N 0 3 346.393 2.923 20 10 EFCDHN CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H]2CCc3cccc([O-])c32)cc1 ZINC000295939567 241070245 /nfs/dbraw/zinc/07/02/45/241070245.db2.gz KWGXHSGJWIIGOF-LRDDRELGSA-N 0 3 346.452 2.638 20 10 EFCDHN COCCOC1(C[NH2+][C@H](C)c2ccc(C)c(C)c2[O-])CCOCC1 ZINC000296361791 241082195 /nfs/dbraw/zinc/08/21/95/241082195.db2.gz IUUZBPCAZPLUPV-MRXNPFEDSA-N 0 3 337.460 2.872 20 10 EFCDHN O=C1[C@H]([NH2+][C@H]2CCc3cccc([O-])c32)CCCN1Cc1ccccn1 ZINC000296498350 241089323 /nfs/dbraw/zinc/08/93/23/241089323.db2.gz PZZDHEJGOXSALV-DLBZAZTESA-N 0 3 337.423 2.555 20 10 EFCDHN C[C@@H]1CCNC(=O)[C@H]1NCc1ccc(N(C)Cc2cccs2)cc1 ZINC000296638432 241093064 /nfs/dbraw/zinc/09/30/64/241093064.db2.gz CHNUNPARQJVJAU-KDOFPFPSSA-N 0 3 343.496 2.999 20 10 EFCDHN C[C@H]1CCNC(=O)[C@@H]1NCc1ccc(N(C)Cc2cccs2)cc1 ZINC000296638418 241093281 /nfs/dbraw/zinc/09/32/81/241093281.db2.gz CHNUNPARQJVJAU-KBXCAEBGSA-N 0 3 343.496 2.999 20 10 EFCDHN O=C(NCCC[NH2+][C@@H]1CCc2cccc([O-])c21)c1ccc(F)cc1 ZINC000296923394 241103464 /nfs/dbraw/zinc/10/34/64/241103464.db2.gz PTTKGGSCGJULMQ-MRXNPFEDSA-N 0 3 328.387 2.928 20 10 EFCDHN C[C@H]([NH2+][C@@H]1CCCN(CCCO)C1)c1cc2c(cc1[O-])CCCC2 ZINC000297321056 241117478 /nfs/dbraw/zinc/11/74/78/241117478.db2.gz NIHCUEWZVVATJO-MAUKXSAKSA-N 0 3 332.488 2.768 20 10 EFCDHN C[C@H]([NH2+][C@H]1CCCN(CCCO)C1)c1cc2c(cc1[O-])CCCC2 ZINC000297321064 241118315 /nfs/dbraw/zinc/11/83/15/241118315.db2.gz NIHCUEWZVVATJO-YJBOKZPZSA-N 0 3 332.488 2.768 20 10 EFCDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+]C[C@]1(O)CCOC1 ZINC000294695844 241049329 /nfs/dbraw/zinc/04/93/29/241049329.db2.gz ITSNWSHKMHDNAW-AZUAARDMSA-N 0 3 327.424 2.807 20 10 EFCDHN O=C(NCCCN1CCc2ccccc2C1)NCc1ccccc1O ZINC000299491177 241179480 /nfs/dbraw/zinc/17/94/80/241179480.db2.gz JLGZZEPGJJZYCQ-UHFFFAOYSA-N 0 3 339.439 2.640 20 10 EFCDHN [O-]c1cccc2c1[C@@H]([NH2+]CCCc1nnc3n1CCCCC3)CC2 ZINC000297710030 241131834 /nfs/dbraw/zinc/13/18/34/241131834.db2.gz MROSZAOXXUWKRL-HNNXBMFYSA-N 0 3 326.444 2.920 20 10 EFCDHN C[C@@H](N[C@H]1CCCc2c1cnn2CCO)c1ccc(N(C)C)cc1 ZINC000324288012 241205435 /nfs/dbraw/zinc/20/54/35/241205435.db2.gz MPLZNJKHRDVFPQ-KDOFPFPSSA-N 0 3 328.460 2.670 20 10 EFCDHN C[C@@H]([NH2+]Cc1ccccc1[O-])[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000363256843 242274924 /nfs/dbraw/zinc/27/49/24/242274924.db2.gz PSVNTLCHWOQPQO-UZLBHIALSA-N 0 3 326.440 2.771 20 10 EFCDHN C[C@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1)c1cc2c(cc1[O-])CCCC2 ZINC000363866858 242283865 /nfs/dbraw/zinc/28/38/65/242283865.db2.gz JKKIUWOYSHRUEP-YOEHRIQHSA-N 0 3 340.471 2.934 20 10 EFCDHN O[C@@H]1CCC[C@H]1N1CCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000367460675 242382698 /nfs/dbraw/zinc/38/26/98/242382698.db2.gz GYXQNVWRQLGCKB-NHCUHLMSSA-N 0 3 343.515 2.708 20 10 EFCDHN COc1ccc(CNC(=O)CN[C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000160967003 533584014 /nfs/dbraw/zinc/58/40/14/533584014.db2.gz SDYIDYRRXRDHRV-HNNXBMFYSA-N 0 3 341.455 2.728 20 10 EFCDHN C[C@@H](CN1CCCCC1)NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000153508681 544734320 /nfs/dbraw/zinc/73/43/20/544734320.db2.gz DFPVCQMOGYUFSZ-KRWDZBQOSA-N 0 3 342.487 2.736 20 10 EFCDHN COc1cc([O-])c(C[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)cc1OC ZINC000271789944 277833373 /nfs/dbraw/zinc/83/33/73/277833373.db2.gz GNPCXUKFASADDW-CXAGYDPISA-N 0 3 339.457 2.554 20 10 EFCDHN CS(=O)(=O)Cc1ccc(C[NH2+][C@@H]2CCc3cccc([O-])c32)cc1 ZINC000296123311 278108095 /nfs/dbraw/zinc/10/80/95/278108095.db2.gz VMDVOZTZTGAIIG-MRXNPFEDSA-N 0 3 331.437 2.714 20 10 EFCDHN CC[C@H]([NH2+][C@H](C)c1cc2c(cc1[O-])CCCC2)C(=O)N1CCOCC1 ZINC000185665265 280967817 /nfs/dbraw/zinc/96/78/17/280967817.db2.gz GNUANOKGFZGLHY-KDOFPFPSSA-N 0 3 346.471 2.559 20 10 EFCDHN CC[C@H]([NH2+]Cc1cccc(S(=O)(=O)NC)c1)c1ccccc1[O-] ZINC000095940781 473226006 /nfs/dbraw/zinc/22/60/06/473226006.db2.gz IUXXSQICYQPXGD-INIZCTEOSA-N 0 3 334.441 2.541 20 10 EFCDHN COc1ccc(OC)c([C@H](O)C[NH2+][C@H](C)c2cc(F)ccc2[O-])c1 ZINC000184947342 473281891 /nfs/dbraw/zinc/28/18/91/473281891.db2.gz CVPXRAHHKZZQOJ-PIGZYNQJSA-N 0 3 335.375 2.933 20 10 EFCDHN Cc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCN(C)CC3)nc2)c([O-])c1 ZINC000184968945 473286516 /nfs/dbraw/zinc/28/65/16/473286516.db2.gz TVGCQVQDDLDFDT-MRXNPFEDSA-N 0 3 340.471 2.698 20 10 EFCDHN CC(C)[C@H](C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-])N1CCN(C)CC1 ZINC000184976961 473289217 /nfs/dbraw/zinc/28/92/17/473289217.db2.gz MSDMICLADWHTOF-YOEHRIQHSA-N 0 3 339.911 2.968 20 10 EFCDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@@H](O)CN2CCc3ccccc3C2)c1 ZINC000184991964 473294802 /nfs/dbraw/zinc/29/48/02/473294802.db2.gz SWIBOQUYTRMZNW-QFBILLFUSA-N 0 3 340.467 2.770 20 10 EFCDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@]2(N3CCOCC3)CCSC2)c1 ZINC000185140584 473340674 /nfs/dbraw/zinc/34/06/74/473340674.db2.gz HIADCLPWKMNVJM-MAUKXSAKSA-N 0 3 336.501 2.559 20 10 EFCDHN Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000349606753 475977744 /nfs/dbraw/zinc/97/77/44/475977744.db2.gz BPIGDOKDWJFFDN-CXAGYDPISA-N 0 3 340.471 2.769 20 10 EFCDHN CCOc1cc(CNCc2ccc(N3CCOCC3)cc2)ccc1O ZINC000067222296 472006914 /nfs/dbraw/zinc/00/69/14/472006914.db2.gz YCPXVEIOCRAVSF-UHFFFAOYSA-N 0 3 342.439 2.917 20 10 EFCDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)NC1CCN(CC)CC1 ZINC000043293167 472219409 /nfs/dbraw/zinc/21/94/09/472219409.db2.gz RUDAMVDURWIBNE-UHFFFAOYSA-N 0 3 332.492 2.768 20 10 EFCDHN CN(C)c1ccc(CNC(=O)N2CCC[C@@H]2CN2CCCCC2)cc1 ZINC000075957982 472227398 /nfs/dbraw/zinc/22/73/98/472227398.db2.gz AIQLBVSOBJZCMK-LJQANCHMSA-N 0 3 344.503 2.913 20 10 EFCDHN COc1cccc(CN2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c1O ZINC000128463922 472455130 /nfs/dbraw/zinc/45/51/30/472455130.db2.gz KTKDLOBIGLLJIC-CQSZACIVSA-N 0 3 336.432 2.842 20 10 EFCDHN CCCOc1ccc(C[N@@H+]2CCC[C@H](C(=O)NCC3CC3)C2)c([O-])c1 ZINC000154834979 472477996 /nfs/dbraw/zinc/47/79/96/472477996.db2.gz FPJVENVHIGPSGX-KRWDZBQOSA-N 0 3 346.471 2.919 20 10 EFCDHN CCCOc1ccc(C[N@H+]2CCC[C@H](C(=O)NCC3CC3)C2)c([O-])c1 ZINC000154834979 472478005 /nfs/dbraw/zinc/47/80/05/472478005.db2.gz FPJVENVHIGPSGX-KRWDZBQOSA-N 0 3 346.471 2.919 20 10 EFCDHN COc1cccc(CN2CCC(NC(=O)OC(C)(C)C)CC2)c1O ZINC000154870615 472481449 /nfs/dbraw/zinc/48/14/49/472481449.db2.gz VDVYLVFVZIRDLQ-UHFFFAOYSA-N 0 3 336.432 2.890 20 10 EFCDHN COc1cccc(CN2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1O ZINC000154899953 472484365 /nfs/dbraw/zinc/48/43/65/472484365.db2.gz HZKWWHSZDZCXDE-CQSZACIVSA-N 0 3 336.432 2.890 20 10 EFCDHN CCN(C)c1ccc([C@H](C)NCc2cccc(OCC(N)=O)c2)cc1 ZINC000128800377 472498526 /nfs/dbraw/zinc/49/85/26/472498526.db2.gz MVZQSLGXKZFBNM-HNNXBMFYSA-N 0 3 341.455 2.858 20 10 EFCDHN CCOc1cccc(C[NH2+]C[C@H]2CCN(CC(F)(F)F)C2)c1[O-] ZINC000058179146 472512825 /nfs/dbraw/zinc/51/28/25/472512825.db2.gz WCZHPQCDBQPCGI-GFCCVEGCSA-N 0 3 332.366 2.765 20 10 EFCDHN CCOc1cccc(C[NH2+]C[C@@H]2CCN(CC(F)(F)F)C2)c1[O-] ZINC000058179143 472513661 /nfs/dbraw/zinc/51/36/61/472513661.db2.gz WCZHPQCDBQPCGI-LBPRGKRZSA-N 0 3 332.366 2.765 20 10 EFCDHN CC[C@@H]([NH2+]CCS(=O)(=O)NCc1ccccc1)c1ccccc1[O-] ZINC000155338200 472533309 /nfs/dbraw/zinc/53/33/09/472533309.db2.gz UAWGCLIEBXTMNV-QGZVFWFLSA-N 0 3 348.468 2.553 20 10 EFCDHN CC[C@@H]([NH2+]CCNS(=O)(=O)c1ccc(C)cc1)c1ccccc1[O-] ZINC000155387758 472541142 /nfs/dbraw/zinc/54/11/42/472541142.db2.gz IBEHNXSTDAVMPC-QGZVFWFLSA-N 0 3 348.468 2.720 20 10 EFCDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)NCCCSc1nccs1 ZINC000089937321 472552475 /nfs/dbraw/zinc/55/24/75/472552475.db2.gz ZFGPSMCPEBWNGJ-STQMWFEESA-N 0 3 342.534 2.607 20 10 EFCDHN CC[C@H]([NH2+]CCCNC(=O)c1cccc(O)c1)c1ccccc1[O-] ZINC000155558831 472568855 /nfs/dbraw/zinc/56/88/55/472568855.db2.gz CQBXOBRHEYKYEC-KRWDZBQOSA-N 0 3 328.412 2.959 20 10 EFCDHN CC[C@H](C)NC(=O)[C@H](C)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000102416422 472576840 /nfs/dbraw/zinc/57/68/40/472576840.db2.gz QZDNGICMRJPJIX-GJZGRUSLSA-N 0 3 333.476 2.557 20 10 EFCDHN C[C@H](N[C@H]1CCCN(CC(F)(F)F)C1=O)c1ccc(N(C)C)cc1 ZINC000090591775 472640710 /nfs/dbraw/zinc/64/07/10/472640710.db2.gz SUCLGHOFWAJXOE-WFASDCNBSA-N 0 3 343.393 2.957 20 10 EFCDHN CN(C)c1ccc(CN(C)C(=O)CN[C@H]2CC(C)(C)OC2(C)C)cc1 ZINC000132606577 472743827 /nfs/dbraw/zinc/74/38/27/472743827.db2.gz XYGCVSFXUNQGTN-KRWDZBQOSA-N 0 3 347.503 2.647 20 10 EFCDHN CC[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1)c1ccccc1[O-] ZINC000121088842 472797305 /nfs/dbraw/zinc/79/73/05/472797305.db2.gz PCJBUPKJMFNHNZ-QGZVFWFLSA-N 0 3 348.468 2.883 20 10 EFCDHN CCCOc1ccc(C[NH+]2CCC(c3nncn3C)CC2)c([O-])c1 ZINC000091795423 472808955 /nfs/dbraw/zinc/80/89/55/472808955.db2.gz RNKRIANUZIBLQD-UHFFFAOYSA-N 0 3 330.432 2.689 20 10 EFCDHN CCCOc1ccc(C[N@@H+]2CCC[C@@H](Cn3ccnn3)C2)c([O-])c1 ZINC000092070605 472849888 /nfs/dbraw/zinc/84/98/88/472849888.db2.gz VQBUNXNCAHKFOK-OAHLLOKOSA-N 0 3 330.432 2.685 20 10 EFCDHN CCCOc1ccc(C[N@H+]2CCC[C@@H](Cn3ccnn3)C2)c([O-])c1 ZINC000092070605 472849893 /nfs/dbraw/zinc/84/98/93/472849893.db2.gz VQBUNXNCAHKFOK-OAHLLOKOSA-N 0 3 330.432 2.685 20 10 EFCDHN C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)Cc1ccc(N(C)C)cc1 ZINC000092585296 472941079 /nfs/dbraw/zinc/94/10/79/472941079.db2.gz YJVYIPZRDLAFPF-CQSZACIVSA-N 0 3 347.484 2.593 20 10 EFCDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)cc1C ZINC000093134061 473049572 /nfs/dbraw/zinc/04/95/72/473049572.db2.gz KYSCTSNEJWBBHF-HNNXBMFYSA-N 0 3 326.444 2.926 20 10 EFCDHN Cc1cc([O-])c(C[N@H+]2CCC[C@H](c3nnc4n3CCC4)C2)cc1C ZINC000093134061 473049578 /nfs/dbraw/zinc/04/95/78/473049578.db2.gz KYSCTSNEJWBBHF-HNNXBMFYSA-N 0 3 326.444 2.926 20 10 EFCDHN COc1cc(O)c(CN2CC[C@@H](C)[C@@H](n3ccnc3)C2)cc1OC ZINC000160404990 473119033 /nfs/dbraw/zinc/11/90/33/473119033.db2.gz YKMGAMGEDFMODZ-HIFRSBDPSA-N 0 3 331.416 2.689 20 10 EFCDHN COc1cc([O-])c(C[N@@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)cc1OC ZINC000160404990 473119038 /nfs/dbraw/zinc/11/90/38/473119038.db2.gz YKMGAMGEDFMODZ-HIFRSBDPSA-N 0 3 331.416 2.689 20 10 EFCDHN COc1cc([O-])c(C[N@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)cc1OC ZINC000160404990 473119039 /nfs/dbraw/zinc/11/90/39/473119039.db2.gz YKMGAMGEDFMODZ-HIFRSBDPSA-N 0 3 331.416 2.689 20 10 EFCDHN CCOc1cccc(C[NH+]2CCC3(CC2)[C@H](OCC)C[C@@H]3O)c1[O-] ZINC000093613660 473125299 /nfs/dbraw/zinc/12/52/99/473125299.db2.gz UOQQSOPEZGBNDL-DLBZAZTESA-N 0 3 335.444 2.543 20 10 EFCDHN CCOc1ccc(O)c(CN2CCC(N3CCCCC3=O)CC2)c1 ZINC000093741774 473138641 /nfs/dbraw/zinc/13/86/41/473138641.db2.gz LLJWWHXSZJMDIM-UHFFFAOYSA-N 0 3 332.444 2.768 20 10 EFCDHN Cc1cc2ncn(C[C@H](O)C[N@@H+](C)Cc3ccccc3[O-])c2cc1C ZINC000111235766 473197756 /nfs/dbraw/zinc/19/77/56/473197756.db2.gz ZVRXYZAMKCMRTN-QGZVFWFLSA-N 0 3 339.439 2.852 20 10 EFCDHN Cc1cc2ncn(C[C@H](O)C[N@H+](C)Cc3ccccc3[O-])c2cc1C ZINC000111235766 473197759 /nfs/dbraw/zinc/19/77/59/473197759.db2.gz ZVRXYZAMKCMRTN-QGZVFWFLSA-N 0 3 339.439 2.852 20 10 EFCDHN CCOc1ccc(OC[C@H](O)C[N@H+](C)Cc2ccccc2[O-])cc1 ZINC000111236019 473198476 /nfs/dbraw/zinc/19/84/76/473198476.db2.gz UUKIDLKHICFNQS-MRXNPFEDSA-N 0 3 331.412 2.663 20 10 EFCDHN CCOc1ccc(OC[C@H](O)C[N@@H+](C)Cc2ccccc2[O-])cc1 ZINC000111236019 473198479 /nfs/dbraw/zinc/19/84/79/473198479.db2.gz UUKIDLKHICFNQS-MRXNPFEDSA-N 0 3 331.412 2.663 20 10 EFCDHN Cc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1cc3c(cc1[O-])CCCC3)CC2 ZINC000185317917 473392224 /nfs/dbraw/zinc/39/22/24/473392224.db2.gz TZUFZLQCGUIKRK-MLGOLLRUSA-N 0 3 326.444 2.837 20 10 EFCDHN CCN1CCN(C[C@@H](C)C[NH2+][C@H](C)c2cc(Cl)ccc2[O-])CC1 ZINC000185344959 473401321 /nfs/dbraw/zinc/40/13/21/473401321.db2.gz CZLMUFGOVUOHET-LSDHHAIUSA-N 0 3 339.911 2.970 20 10 EFCDHN Cc1ncc([C@@H](C)NCc2ccc(N3CCOCC3)cc2)c(C)n1 ZINC000151063107 473403148 /nfs/dbraw/zinc/40/31/48/473403148.db2.gz QQLKMVZEGOBJNT-CQSZACIVSA-N 0 3 326.444 2.781 20 10 EFCDHN COc1cc(OC)cc([C@@H](O)C[NH2+][C@@H](C)c2cc(F)ccc2[O-])c1 ZINC000185487582 473439869 /nfs/dbraw/zinc/43/98/69/473439869.db2.gz ANKPXDAFYUNUKQ-VOJFVSQTSA-N 0 3 335.375 2.933 20 10 EFCDHN [O-]c1ccc(Cl)c(F)c1CNC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000191123724 473484924 /nfs/dbraw/zinc/48/49/24/473484924.db2.gz OPUWKBDNTLTASI-LBPRGKRZSA-N 0 3 342.842 2.775 20 10 EFCDHN [O-]c1ccc(Cl)c(F)c1C[NH2+]C1CCN(C[C@@H]2CCOC2)CC1 ZINC000191123724 473484930 /nfs/dbraw/zinc/48/49/30/473484930.db2.gz OPUWKBDNTLTASI-LBPRGKRZSA-N 0 3 342.842 2.775 20 10 EFCDHN C[C@@H]([NH2+]Cc1cc2c(cc1[O-])OCO2)[C@H](c1ccccc1)N(C)C ZINC000185680077 473487379 /nfs/dbraw/zinc/48/73/79/473487379.db2.gz LGNVSDPYPFRQHW-BFUOFWGJSA-N 0 3 328.412 2.902 20 10 EFCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCN(c3ncccc3F)C2)c1 ZINC000185686793 473488660 /nfs/dbraw/zinc/48/86/60/473488660.db2.gz GBJYBAIOXGQRRP-QWHCGFSZSA-N 0 3 331.391 2.864 20 10 EFCDHN CCN1CCN(CCCC[NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])CC1 ZINC000191202314 473505870 /nfs/dbraw/zinc/50/58/70/473505870.db2.gz OIQZZOMZEPGCBT-AWEZNQCLSA-N 0 3 341.446 2.739 20 10 EFCDHN CC[C@@H]([NH2+]Cc1cccnc1N1CCOCC1)c1ccccc1[O-] ZINC000170599626 473560466 /nfs/dbraw/zinc/56/04/66/473560466.db2.gz PDZGBZPOZDNHLT-QGZVFWFLSA-N 0 3 327.428 2.865 20 10 EFCDHN C[C@@H](C(=O)N1CCOc2cc(N(C)C)ccc21)[C@H](N)c1ccccc1 ZINC000178863262 473579901 /nfs/dbraw/zinc/57/99/01/473579901.db2.gz ZZDUFMDUFICLPV-KUHUBIRLSA-N 0 3 339.439 2.814 20 10 EFCDHN COc1cccc(CN[C@H](C)CS(=O)(=O)c2ccc(C)cc2)c1O ZINC000152734067 473591511 /nfs/dbraw/zinc/59/15/11/473591511.db2.gz HPIBCWCYBCOKRN-CQSZACIVSA-N 0 3 349.452 2.661 20 10 EFCDHN C[C@H]([NH2+][C@@H]1CCCN(CC(F)(F)F)C1=O)c1cc(F)ccc1[O-] ZINC000186144704 473599758 /nfs/dbraw/zinc/59/97/58/473599758.db2.gz HRVULQDTYMUXDU-JOYOIKCWSA-N 0 3 334.313 2.735 20 10 EFCDHN COc1cccc(CN(C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1O ZINC000179472716 473689776 /nfs/dbraw/zinc/68/97/76/473689776.db2.gz SXAMQJQFUPITBB-AWEZNQCLSA-N 0 3 336.432 2.842 20 10 EFCDHN C[N@H+](Cc1ccccc1[O-])C1CCN(CCc2ccccn2)CC1 ZINC000179564807 473694719 /nfs/dbraw/zinc/69/47/19/473694719.db2.gz KHEABANPMFKFGK-UHFFFAOYSA-N 0 3 325.456 2.926 20 10 EFCDHN C[N@@H+](Cc1ccccc1[O-])C1CCN(CCc2ccccn2)CC1 ZINC000179564807 473694720 /nfs/dbraw/zinc/69/47/20/473694720.db2.gz KHEABANPMFKFGK-UHFFFAOYSA-N 0 3 325.456 2.926 20 10 EFCDHN Cc1cccc(CN2CCN(Cc3cn4ccccc4n3)CC2)c1O ZINC000179627092 473699057 /nfs/dbraw/zinc/69/90/57/473699057.db2.gz IFGNXRZHLWBXMR-UHFFFAOYSA-N 0 3 336.439 2.666 20 10 EFCDHN C[C@@H](c1ccccc1)[N@H+](CCCS(N)(=O)=O)Cc1ccccc1[O-] ZINC000179648928 473703298 /nfs/dbraw/zinc/70/32/98/473703298.db2.gz HAUMPCBBSSTIPL-HNNXBMFYSA-N 0 3 348.468 2.634 20 10 EFCDHN C[C@@H](c1ccccc1)[N@@H+](CCCS(N)(=O)=O)Cc1ccccc1[O-] ZINC000179648928 473703304 /nfs/dbraw/zinc/70/33/04/473703304.db2.gz HAUMPCBBSSTIPL-HNNXBMFYSA-N 0 3 348.468 2.634 20 10 EFCDHN COc1cccc(C[N@@H+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)c1[O-] ZINC000179740591 473716857 /nfs/dbraw/zinc/71/68/57/473716857.db2.gz SMUOZBXMTGVMKB-CYBMUJFWSA-N 0 3 336.432 2.747 20 10 EFCDHN COc1cccc(C[N@H+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)c1[O-] ZINC000179740591 473716859 /nfs/dbraw/zinc/71/68/59/473716859.db2.gz SMUOZBXMTGVMKB-CYBMUJFWSA-N 0 3 336.432 2.747 20 10 EFCDHN Cc1nn(C(C)C)cc1CNCc1ccc(N2CCOCC2)cc1 ZINC000281438466 473721382 /nfs/dbraw/zinc/72/13/82/473721382.db2.gz RYILHBBAUMPHAP-UHFFFAOYSA-N 0 3 328.460 2.899 20 10 EFCDHN COc1cc(O)c(CN2CCCN(c3nccs3)CC2)cc1OC ZINC000179849619 473742650 /nfs/dbraw/zinc/74/26/50/473742650.db2.gz WCCBJPKZPSVFCY-UHFFFAOYSA-N 0 3 349.456 2.578 20 10 EFCDHN C[C@@H]([NH2+]CCCN1C(=O)c2ccccc2C1=O)c1cc(F)ccc1[O-] ZINC000287743737 473748947 /nfs/dbraw/zinc/74/89/47/473748947.db2.gz YXAJHKVGIGKIGU-GFCCVEGCSA-N 0 3 342.370 2.868 20 10 EFCDHN COc1ccc([O-])c(C[N@@H+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC000179926788 473756528 /nfs/dbraw/zinc/75/65/28/473756528.db2.gz BTWWEGANKLVVJC-CYBMUJFWSA-N 0 3 336.432 2.747 20 10 EFCDHN COc1ccc([O-])c(C[N@H+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC000179926788 473756534 /nfs/dbraw/zinc/75/65/34/473756534.db2.gz BTWWEGANKLVVJC-CYBMUJFWSA-N 0 3 336.432 2.747 20 10 EFCDHN COCC[C@@H](CO)[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-] ZINC000281623359 473786145 /nfs/dbraw/zinc/78/61/45/473786145.db2.gz NVXSWXLOZRIXJB-PWSUYJOCSA-N 0 3 332.238 2.511 20 10 EFCDHN COCC[C@@H](CO)[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-] ZINC000281623353 473786186 /nfs/dbraw/zinc/78/61/86/473786186.db2.gz NVXSWXLOZRIXJB-JQWIXIFHSA-N 0 3 332.238 2.511 20 10 EFCDHN CCN1CCN([C@H]2CC[N@H+](Cc3cc(Cl)cc(C)c3[O-])C2)CC1 ZINC000180069520 473790953 /nfs/dbraw/zinc/79/09/53/473790953.db2.gz COFSVPPOWABZII-KRWDZBQOSA-N 0 3 337.895 2.566 20 10 EFCDHN CCN1CCN([C@H]2CC[N@@H+](Cc3cc(Cl)cc(C)c3[O-])C2)CC1 ZINC000180069520 473790963 /nfs/dbraw/zinc/79/09/63/473790963.db2.gz COFSVPPOWABZII-KRWDZBQOSA-N 0 3 337.895 2.566 20 10 EFCDHN Cc1ccc(O)c(CN[C@@H]2CC(=O)N(c3c(F)cccc3F)C2)c1 ZINC000180216212 473830645 /nfs/dbraw/zinc/83/06/45/473830645.db2.gz MWLJHLUFCIHRMQ-CYBMUJFWSA-N 0 3 332.350 2.874 20 10 EFCDHN Cc1ccc([O-])c(C[NH2+][C@@H]2CC(=O)N(c3c(F)cccc3F)C2)c1 ZINC000180216212 473830651 /nfs/dbraw/zinc/83/06/51/473830651.db2.gz MWLJHLUFCIHRMQ-CYBMUJFWSA-N 0 3 332.350 2.874 20 10 EFCDHN Cc1ccc(O)c(CN[C@H]2CC(=O)N(c3c(F)cccc3F)C2)c1 ZINC000180216229 473830719 /nfs/dbraw/zinc/83/07/19/473830719.db2.gz MWLJHLUFCIHRMQ-ZDUSSCGKSA-N 0 3 332.350 2.874 20 10 EFCDHN Cc1ccc([O-])c(C[NH2+][C@H]2CC(=O)N(c3c(F)cccc3F)C2)c1 ZINC000180216229 473830725 /nfs/dbraw/zinc/83/07/25/473830725.db2.gz MWLJHLUFCIHRMQ-ZDUSSCGKSA-N 0 3 332.350 2.874 20 10 EFCDHN COc1cccc(CN[C@@H]2CC(=O)N(c3c(F)cccc3F)C2)c1O ZINC000180215513 473830771 /nfs/dbraw/zinc/83/07/71/473830771.db2.gz ZSSIGXAKYDGXMI-GFCCVEGCSA-N 0 3 348.349 2.574 20 10 EFCDHN CNC(=O)C(C)(C)C[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-] ZINC000187417929 473869267 /nfs/dbraw/zinc/86/92/67/473869267.db2.gz NPELGPOALQFGAC-SNVBAGLBSA-N 0 3 343.265 2.886 20 10 EFCDHN CCc1nsc(N2CCCN(Cc3cccc(C)c3O)CC2)n1 ZINC000180672084 473937710 /nfs/dbraw/zinc/93/77/10/473937710.db2.gz QSJBLLNRIGJMLF-UHFFFAOYSA-N 0 3 332.473 2.827 20 10 EFCDHN O=C1C[C@H]([NH2+]Cc2cc(F)ccc2[O-])CN1c1c(F)cccc1F ZINC000180904749 473983622 /nfs/dbraw/zinc/98/36/22/473983622.db2.gz RFDCJACKNIROLN-LBPRGKRZSA-N 0 3 336.313 2.705 20 10 EFCDHN C[C@H](NCC(=O)NCCc1ccccc1)c1ccc(N(C)C)cc1 ZINC000181401987 474032704 /nfs/dbraw/zinc/03/27/04/474032704.db2.gz IRSANRVKDYJMCW-INIZCTEOSA-N 0 3 325.456 2.762 20 10 EFCDHN CN(C)c1ccc(CNC(=O)N2CC[C@@H](N3CCCCC3)C2)cc1 ZINC000264564360 474039810 /nfs/dbraw/zinc/03/98/10/474039810.db2.gz GCXGWNZANDEOIY-GOSISDBHSA-N 0 3 330.476 2.522 20 10 EFCDHN CCCC[N@H+](Cc1ccccc1[O-])[C@H](C)C(=O)NC[C@@H]1CCCO1 ZINC000282445798 474068873 /nfs/dbraw/zinc/06/88/73/474068873.db2.gz LIRNGQLMDACPLJ-WBVHZDCISA-N 0 3 334.460 2.678 20 10 EFCDHN CCCC[N@@H+](Cc1ccccc1[O-])[C@H](C)C(=O)NC[C@@H]1CCCO1 ZINC000282445798 474068881 /nfs/dbraw/zinc/06/88/81/474068881.db2.gz LIRNGQLMDACPLJ-WBVHZDCISA-N 0 3 334.460 2.678 20 10 EFCDHN C[C@H]([NH2+]CCS(=O)(=O)CCc1ccccc1)c1ccccc1[O-] ZINC000282473413 474078709 /nfs/dbraw/zinc/07/87/09/474078709.db2.gz LVRTWLZKJMMRHW-HNNXBMFYSA-N 0 3 333.453 2.700 20 10 EFCDHN CCOc1ccc([O-])c(C[NH2+][C@H]2CCCO[C@@H]2c2cnn(C)c2)c1 ZINC000275418140 474178190 /nfs/dbraw/zinc/17/81/90/474178190.db2.gz DKBRAFRVFDCPSW-FUHWJXTLSA-N 0 3 331.416 2.534 20 10 EFCDHN CCCN(CC[NH+]1CCCC1)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000289205676 474182909 /nfs/dbraw/zinc/18/29/09/474182909.db2.gz BPYCFWVKAGRIAF-UHFFFAOYSA-N 0 3 337.420 2.617 20 10 EFCDHN CN(c1ccc(CNC(=O)[C@H]2C[C@H](F)CN2)cc1)C1CCCCC1 ZINC000188747365 474184014 /nfs/dbraw/zinc/18/40/14/474184014.db2.gz DLJKGKBPFJMCJO-MAUKXSAKSA-N 0 3 333.451 2.772 20 10 EFCDHN CCCOc1ccc(C[NH2+][C@@H]2CCO[C@H](c3cncn3C)C2)c([O-])c1 ZINC000275502807 474213072 /nfs/dbraw/zinc/21/30/72/474213072.db2.gz JUGXRBWTDHYCAM-BEFAXECRSA-N 0 3 345.443 2.924 20 10 EFCDHN COc1cc([O-])c(C[NH2+]C[C@@](C)(O)c2ccc(F)cc2)cc1OC ZINC000182676958 474231476 /nfs/dbraw/zinc/23/14/76/474231476.db2.gz GORUXAKDBXHCHD-GOSISDBHSA-N 0 3 335.375 2.546 20 10 EFCDHN CN1CCCc2cc(CN[C@@H]3CCCC[C@@H]3S(C)(=O)=O)ccc21 ZINC000182684894 474233234 /nfs/dbraw/zinc/23/32/34/474233234.db2.gz LWEAWEMRFFHONR-AEFFLSMTSA-N 0 3 336.501 2.514 20 10 EFCDHN CCCOc1ccc(C[NH2+][C@H]2CCO[C@@H]2c2nccn2C)c([O-])c1 ZINC000275600149 474248906 /nfs/dbraw/zinc/24/89/06/474248906.db2.gz QHAVVXINTRBYST-RDJZCZTQSA-N 0 3 331.416 2.534 20 10 EFCDHN COc1ccc(NC(=O)C[C@@H](C)[NH2+]Cc2cccc(OC)c2[O-])cc1 ZINC000289408146 474258888 /nfs/dbraw/zinc/25/88/88/474258888.db2.gz HMGSIWYKXHYYOF-CYBMUJFWSA-N 0 3 344.411 2.916 20 10 EFCDHN COc1cccc(CNC(=O)Nc2ccccc2CCN(C)C)c1O ZINC000275725300 474295931 /nfs/dbraw/zinc/29/59/31/474295931.db2.gz WOCDIMJSXKNPDT-UHFFFAOYSA-N 0 3 343.427 2.827 20 10 EFCDHN COc1ccc(N2CCN(CCN[C@H](C)c3ccccn3)CC2)cc1 ZINC000270896294 474311543 /nfs/dbraw/zinc/31/15/43/474311543.db2.gz IKKNYRWNPJKELM-QGZVFWFLSA-N 0 3 340.471 2.563 20 10 EFCDHN Cc1ccc([O-])c(C[NH2+][C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)c1 ZINC000265780843 474333892 /nfs/dbraw/zinc/33/38/92/474333892.db2.gz OHEFUVQFNRLJCE-UYAOXDASSA-N 0 3 340.467 2.673 20 10 EFCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+]C[C@]1(O)CCSC1 ZINC000183159271 474341186 /nfs/dbraw/zinc/34/11/86/474341186.db2.gz ZZHTYDFIFKAWGS-LJQANCHMSA-N 0 3 345.464 2.929 20 10 EFCDHN C[C@]1(C[NH2+]Cc2cc3c(cc2[O-])OCO3)OCCc2sccc21 ZINC000289729549 474399819 /nfs/dbraw/zinc/39/98/19/474399819.db2.gz GRATZCQIRROXPI-QGZVFWFLSA-N 0 3 333.409 2.760 20 10 EFCDHN CCCOc1ccc(CN2CCSC[C@@H]2CC(=O)OC)c(O)c1 ZINC000271204310 474438973 /nfs/dbraw/zinc/43/89/73/474438973.db2.gz QZXNYMIRUMYYQP-AWEZNQCLSA-N 0 3 339.457 2.662 20 10 EFCDHN CCN(CC)c1ccc(CN(C)CCOCCOCCOC)cc1 ZINC000276172618 474440729 /nfs/dbraw/zinc/44/07/29/474440729.db2.gz JNOYEGYJXABHBM-UHFFFAOYSA-N 0 3 338.492 2.644 20 10 EFCDHN COc1cc(O)c(CNCc2ccnc(N3CCCC3)c2)cc1OC ZINC000290141076 474559125 /nfs/dbraw/zinc/55/91/25/474559125.db2.gz KIESGUDSWXVBAV-UHFFFAOYSA-N 0 3 343.427 2.694 20 10 EFCDHN COc1ccc(O)c(CNCc2ccncc2OC[C@@H]2CCOC2)c1 ZINC000290210403 474562147 /nfs/dbraw/zinc/56/21/47/474562147.db2.gz QLLJGEBPSXJHKO-CQSZACIVSA-N 0 3 344.411 2.501 20 10 EFCDHN COc1ccc([C@H](OC)[C@H](C)[NH2+]Cc2cc3c(cc2[O-])OCO3)cc1 ZINC000271470806 474563011 /nfs/dbraw/zinc/56/30/11/474563011.db2.gz HCQZHTYRKCMMPI-HXPMCKFVSA-N 0 3 345.395 2.995 20 10 EFCDHN Cc1cccc(C[NH2+][C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)c1[O-] ZINC000290316484 474565494 /nfs/dbraw/zinc/56/54/94/474565494.db2.gz CPHCOJMHAUEFKQ-UXHICEINSA-N 0 3 340.467 2.673 20 10 EFCDHN O=C1CCCN1[C@@H]1CCN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC000276818106 474572735 /nfs/dbraw/zinc/57/27/35/474572735.db2.gz OZWQXWNWRADNCT-LJQANCHMSA-N 0 3 327.472 2.874 20 10 EFCDHN C[C@H](N[C@H](CO)C[C@H](O)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000271527448 474580663 /nfs/dbraw/zinc/58/06/63/474580663.db2.gz QKHMSTNRRAWCEQ-QSFXBCCZSA-N 0 3 328.456 2.888 20 10 EFCDHN CCCNC(=O)[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000184685716 474583722 /nfs/dbraw/zinc/58/37/22/474583722.db2.gz CDNPIMGRLDYJLB-GFCCVEGCSA-N 0 3 340.851 2.792 20 10 EFCDHN CCCNC(=O)[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000184685716 474583726 /nfs/dbraw/zinc/58/37/26/474583726.db2.gz CDNPIMGRLDYJLB-GFCCVEGCSA-N 0 3 340.851 2.792 20 10 EFCDHN COCCOC[C@@H]1CC[N@H+](Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000184699935 474588788 /nfs/dbraw/zinc/58/87/88/474588788.db2.gz KSPABZCFKGFNMG-GFCCVEGCSA-N 0 3 329.824 2.539 20 10 EFCDHN COCCOC[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000184699935 474588795 /nfs/dbraw/zinc/58/87/95/474588795.db2.gz KSPABZCFKGFNMG-GFCCVEGCSA-N 0 3 329.824 2.539 20 10 EFCDHN CCC(CC)(CC(=O)OC)[NH2+]Cc1cc(OC)c(OC)cc1[O-] ZINC000271773528 474590211 /nfs/dbraw/zinc/59/02/11/474590211.db2.gz CEXXTSGFQZZYMQ-UHFFFAOYSA-N 0 3 325.405 2.621 20 10 EFCDHN COCCOCc1ccc(C[NH2+]Cc2cc3c(cc2[O-])OCO3)cc1 ZINC000291038570 474591316 /nfs/dbraw/zinc/59/13/16/474591316.db2.gz KHCNCKKSZIWRSD-UHFFFAOYSA-N 0 3 345.395 2.574 20 10 EFCDHN COCCOCc1ccc(CNCc2cc3c(cc2O)OCO3)cc1 ZINC000291038570 474591319 /nfs/dbraw/zinc/59/13/19/474591319.db2.gz KHCNCKKSZIWRSD-UHFFFAOYSA-N 0 3 345.395 2.574 20 10 EFCDHN COc1ccc(O)c([C@H](C)N[C@H]2CC(=O)N(c3ccccc3F)C2)c1 ZINC000291132298 474595012 /nfs/dbraw/zinc/59/50/12/474595012.db2.gz FALJGGUYBRQCNZ-STQMWFEESA-N 0 3 344.386 2.996 20 10 EFCDHN COc1ccc(O)c(CN2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)c1 ZINC000271824778 474595907 /nfs/dbraw/zinc/59/59/07/474595907.db2.gz PSDSLEDKAXJUSD-AWEZNQCLSA-N 0 3 336.432 2.842 20 10 EFCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](O)c2cc(OC)ccc2OC)c1 ZINC000271852237 474596897 /nfs/dbraw/zinc/59/68/97/474596897.db2.gz RLKHBOHGJDJOEB-KZULUSFZSA-N 0 3 347.411 2.802 20 10 EFCDHN COc1c([O-])c(CN2CC[C@@H](C[NH+]3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000278202665 474604222 /nfs/dbraw/zinc/60/42/22/474604222.db2.gz JGBYLQQFIWMFKO-AWEZNQCLSA-N 0 3 349.431 2.617 20 10 EFCDHN COc1c([O-])c(CNCC[C@@H](C)[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000278309678 474606743 /nfs/dbraw/zinc/60/67/43/474606743.db2.gz DUWHXEDXYARIQN-CYBMUJFWSA-N 0 3 337.420 2.663 20 10 EFCDHN COc1c([O-])c(C[NH2+]CC[C@@H](C)N2CCCCC2)ccc1[N+](=O)[O-] ZINC000278309678 474606746 /nfs/dbraw/zinc/60/67/46/474606746.db2.gz DUWHXEDXYARIQN-CYBMUJFWSA-N 0 3 337.420 2.663 20 10 EFCDHN CC(C)[NH+]1CCC(N2CCN(Cc3cc(F)ccc3[O-])CC2)CC1 ZINC000272252866 474606971 /nfs/dbraw/zinc/60/69/71/474606971.db2.gz CGMJMEMZLNFENY-UHFFFAOYSA-N 0 3 335.467 2.522 20 10 EFCDHN [O-]c1cc2c(cc1C[N@@H+](Cc1ccccc1)[C@H](CO)C1CC1)OCO2 ZINC000184786583 474608004 /nfs/dbraw/zinc/60/80/04/474608004.db2.gz SRDKTWSCNOERAI-QGZVFWFLSA-N 0 3 341.407 2.894 20 10 EFCDHN [O-]c1cc2c(cc1C[N@H+](Cc1ccccc1)[C@H](CO)C1CC1)OCO2 ZINC000184786583 474608008 /nfs/dbraw/zinc/60/80/08/474608008.db2.gz SRDKTWSCNOERAI-QGZVFWFLSA-N 0 3 341.407 2.894 20 10 EFCDHN CCN(CC)c1ccc(CNC(=O)N2CC[C@H]3CCN(C)C[C@H]32)cc1 ZINC000272440342 474611667 /nfs/dbraw/zinc/61/16/67/474611667.db2.gz KZCFLXMQZNTXBH-IEBWSBKVSA-N 0 3 344.503 2.768 20 10 EFCDHN C[C@@H](NC(=O)NCc1ccc(N2CCCC2)cc1)C1=CCN(C)CC1 ZINC000272689898 474623118 /nfs/dbraw/zinc/62/31/18/474623118.db2.gz CGKNMEQZUVFEON-MRXNPFEDSA-N 0 3 342.487 2.736 20 10 EFCDHN C[C@@H](NC(=O)NCc1ccc2c(c1)CCCN2C)C1=CCN(C)CC1 ZINC000272748739 474624678 /nfs/dbraw/zinc/62/46/78/474624678.db2.gz NFBJHBDJPBPOPF-OAHLLOKOSA-N 0 3 342.487 2.519 20 10 EFCDHN C[C@H](CN1CCN(c2ccccn2)CC1)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000272803993 474625731 /nfs/dbraw/zinc/62/57/31/474625731.db2.gz BXAXVFZMFJXLTK-SJORKVTESA-N 0 3 340.471 2.649 20 10 EFCDHN C[C@H](NC(=O)N(C)Cc1ccc(N(C)C)cc1)C1=CCN(C)CC1 ZINC000272909092 474638628 /nfs/dbraw/zinc/63/86/28/474638628.db2.gz JJADULAQPBEMBB-HNNXBMFYSA-N 0 3 330.476 2.544 20 10 EFCDHN [O-]c1cc2c(cc1C[NH2+][C@@H]1CCN(c3ccccc3F)C1)OCO2 ZINC000291745221 474667123 /nfs/dbraw/zinc/66/71/23/474667123.db2.gz PMKVRTPAKGLBAW-CYBMUJFWSA-N 0 3 330.359 2.629 20 10 EFCDHN COc1ccc([O-])c(C[NH2+][C@H]2CCO[C@@H]2c2ccnn2C(C)C)c1 ZINC000284581829 474677394 /nfs/dbraw/zinc/67/73/94/474677394.db2.gz JKUGTHLTLHWVCJ-YJBOKZPZSA-N 0 3 331.416 2.798 20 10 EFCDHN CS(=O)(=O)C[C@@H]1CCN(Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000292885793 474696945 /nfs/dbraw/zinc/69/69/45/474696945.db2.gz YHRUBHFJKLMYGM-OAHLLOKOSA-N 0 3 345.464 2.926 20 10 EFCDHN Cc1cc(Cl)cc(C[NH2+][C@@H]2CCCN(c3ccnn3C)C2)c1[O-] ZINC000278575187 474714507 /nfs/dbraw/zinc/71/45/07/474714507.db2.gz CNJCNYLWDYMANC-OAHLLOKOSA-N 0 3 334.851 2.846 20 10 EFCDHN COCCC(=O)N1CCC([NH2+][C@H](C)c2c(C)cc(C)cc2[O-])CC1 ZINC000284869376 474806810 /nfs/dbraw/zinc/80/68/10/474806810.db2.gz AVSJUIGIWSDAFQ-OAHLLOKOSA-N 0 3 334.460 2.687 20 10 EFCDHN COc1ccc(O)c([C@H](C)NCc2ccc(CS(C)(=O)=O)cc2)c1 ZINC000273305101 474832894 /nfs/dbraw/zinc/83/28/94/474832894.db2.gz CQQKKIWCAYQIDF-ZDUSSCGKSA-N 0 3 349.452 2.796 20 10 EFCDHN COc1ccc([O-])c([C@H](C)[NH2+]Cc2ccc(CS(C)(=O)=O)cc2)c1 ZINC000273305101 474832903 /nfs/dbraw/zinc/83/29/03/474832903.db2.gz CQQKKIWCAYQIDF-ZDUSSCGKSA-N 0 3 349.452 2.796 20 10 EFCDHN [O-]c1cc2c(cc1C[NH2+]C[C@H](O)c1cc(F)cc(Cl)c1)OCO2 ZINC000278820398 474853248 /nfs/dbraw/zinc/85/32/48/474853248.db2.gz TXKSOCHPMVVENA-AWEZNQCLSA-N 0 3 339.750 2.737 20 10 EFCDHN COc1cc(C[NH2+][C@H](C)c2ccc(C)cc2[O-])ccc1OCCO ZINC000273363719 474859634 /nfs/dbraw/zinc/85/96/34/474859634.db2.gz DMQHNEIRDGBICW-CQSZACIVSA-N 0 3 331.412 2.931 20 10 EFCDHN C[C@H]([NH2+]Cc1ccc(NS(C)(=O)=O)cc1)c1cc(F)ccc1[O-] ZINC000273362408 474860568 /nfs/dbraw/zinc/86/05/68/474860568.db2.gz DDQXLVDAZBKBKC-NSHDSACASA-N 0 3 338.404 2.754 20 10 EFCDHN Cc1ccc([C@@H](C)[NH2+]C[C@H](O)COc2ccc3c(c2)OCO3)c([O-])c1 ZINC000273369986 474862797 /nfs/dbraw/zinc/86/27/97/474862797.db2.gz FWKUFHRNDKZOKZ-KGLIPLIRSA-N 0 3 345.395 2.520 20 10 EFCDHN Cc1ccc([O-])c([C@H](C)[NH2+]Cc2ccc(N3CCOCC3)nc2)c1 ZINC000273373600 474865771 /nfs/dbraw/zinc/86/57/71/474865771.db2.gz GPEIANHFMOILFB-HNNXBMFYSA-N 0 3 327.428 2.783 20 10 EFCDHN Cc1ccc(O)c([C@H](C)NCc2ccc(N3CCOCC3)nc2)c1 ZINC000273373600 474865777 /nfs/dbraw/zinc/86/57/77/474865777.db2.gz GPEIANHFMOILFB-HNNXBMFYSA-N 0 3 327.428 2.783 20 10 EFCDHN CNS(=O)(=O)c1cccc(CN[C@@H](C)c2ccc(C)c(C)c2O)c1 ZINC000273384135 474872099 /nfs/dbraw/zinc/87/20/99/474872099.db2.gz JAYZHRSGKOALCJ-AWEZNQCLSA-N 0 3 348.468 2.768 20 10 EFCDHN CCNC(=O)C[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(OC)c1[O-] ZINC000285065211 474880312 /nfs/dbraw/zinc/88/03/12/474880312.db2.gz LTFGWSRCAHYBCB-AWEZNQCLSA-N 0 3 340.851 2.935 20 10 EFCDHN CCNC(=O)C[C@@H]1CCCC[N@H+]1Cc1cc(Cl)cc(OC)c1[O-] ZINC000285065211 474880320 /nfs/dbraw/zinc/88/03/20/474880320.db2.gz LTFGWSRCAHYBCB-AWEZNQCLSA-N 0 3 340.851 2.935 20 10 EFCDHN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C2CCN(CC3CC3)CC2)c1 ZINC000273422100 474890095 /nfs/dbraw/zinc/89/00/95/474890095.db2.gz SKSYBGFZGQDYAE-CYBMUJFWSA-N 0 3 332.444 2.704 20 10 EFCDHN COCCC(=O)N1CCC([NH2+][C@@H](C)c2ccc(C)c(C)c2[O-])CC1 ZINC000273444271 474900325 /nfs/dbraw/zinc/90/03/25/474900325.db2.gz DUCFHJYBTYSCBN-HNNXBMFYSA-N 0 3 334.460 2.687 20 10 EFCDHN COc1cc([O-])c(C[N@H+](C)CCCN(C)Cc2ccco2)cc1OC ZINC000285138065 474904353 /nfs/dbraw/zinc/90/43/53/474904353.db2.gz NVURTPOSRWYKHZ-UHFFFAOYSA-N 0 3 348.443 2.956 20 10 EFCDHN COc1cc([O-])c(C[N@@H+](C)CCCN(C)Cc2ccco2)cc1OC ZINC000285138065 474904358 /nfs/dbraw/zinc/90/43/58/474904358.db2.gz NVURTPOSRWYKHZ-UHFFFAOYSA-N 0 3 348.443 2.956 20 10 EFCDHN CCCOc1ccc(CN2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)c(O)c1 ZINC000279089089 474959739 /nfs/dbraw/zinc/95/97/39/474959739.db2.gz ABJRLGWCYXVWED-YZVOILCLSA-N 0 3 335.444 2.949 20 10 EFCDHN C[C@H]1OCC[C@@]1(O)C[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000279161974 474963217 /nfs/dbraw/zinc/96/32/17/474963217.db2.gz AWGIWYQONJGJMD-FOIQADDNSA-N 0 3 343.423 2.601 20 10 EFCDHN CCCOc1ccc(C[NH2+][C@@H]2C[C@H](OCC)[C@@]23CCCO3)c([O-])c1 ZINC000273568892 474966849 /nfs/dbraw/zinc/96/68/49/474966849.db2.gz GGOXRMOOSSBRCE-CEXWTWQISA-N 0 3 335.444 2.997 20 10 EFCDHN CN(C(=O)Cc1ccc(N)cc1)C1CCN(Cc2ccccc2)CC1 ZINC000261587411 474986857 /nfs/dbraw/zinc/98/68/57/474986857.db2.gz VATWYGJYIHZXSD-UHFFFAOYSA-N 0 3 337.467 2.934 20 10 EFCDHN CC[C@@H]([NH2+][C@@H]1CCN(c2cc(C)nn2C)C1=O)c1ccc(C)cc1[O-] ZINC000280247388 475016339 /nfs/dbraw/zinc/01/63/39/475016339.db2.gz WIVRWVDVLVBOOL-HZPDHXFCSA-N 0 3 342.443 2.589 20 10 EFCDHN Cc1cc(CN[C@H](C(N)=O)[C@H](C)c2ccccc2)ccc1N(C)C ZINC000293529502 475024534 /nfs/dbraw/zinc/02/45/34/475024534.db2.gz JGWIWWFDTDZPPM-BEFAXECRSA-N 0 3 325.456 2.808 20 10 EFCDHN Cc1cc(CN[C@@H](C(N)=O)[C@H](C)c2ccccc2)ccc1N(C)C ZINC000293529507 475025132 /nfs/dbraw/zinc/02/51/32/475025132.db2.gz JGWIWWFDTDZPPM-DNVCBOLYSA-N 0 3 325.456 2.808 20 10 EFCDHN CCOCc1cc(CNCC2([S@](C)=O)CCC2)ccc1OC ZINC000280561826 475032869 /nfs/dbraw/zinc/03/28/69/475032869.db2.gz FWWHXRCAOQSCIB-QFIPXVFZSA-N 0 3 325.474 2.623 20 10 EFCDHN C[C@H](NCc1ccc(N2CCOCC2)nc1)c1ccc(N(C)C)cc1 ZINC000268730407 475039636 /nfs/dbraw/zinc/03/96/36/475039636.db2.gz BXCLOIPCWYYDAF-INIZCTEOSA-N 0 3 340.471 2.835 20 10 EFCDHN CCN1CCN(C[C@H](C)C[NH2+][C@@H](C)c2c(C)cc(C)cc2[O-])CC1 ZINC000293570239 475040399 /nfs/dbraw/zinc/04/03/99/475040399.db2.gz DJVSZHOVUMJDCM-AEFFLSMTSA-N 0 3 333.520 2.933 20 10 EFCDHN Cc1nccn1CCN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000268798952 475041141 /nfs/dbraw/zinc/04/11/41/475041141.db2.gz IQWWVUKSUJNLBR-AWEZNQCLSA-N 0 3 332.423 2.518 20 10 EFCDHN COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]Cc2ccccc2[O-])c1 ZINC000268819366 475044364 /nfs/dbraw/zinc/04/43/64/475044364.db2.gz JLTCKRPPUWODLC-CYBMUJFWSA-N 0 3 344.411 2.916 20 10 EFCDHN C[C@H](NC[C@H](O)c1cnn(C)c1)c1ccc(N2CCCCC2)c(F)c1 ZINC000268852403 475045373 /nfs/dbraw/zinc/04/53/73/475045373.db2.gz BYNAFDLHNFTBIJ-LIRRHRJNSA-N 0 3 346.450 2.934 20 10 EFCDHN C[C@H](NC[C@@H](O)c1cnn(C)c1)c1ccc(N2CCCCC2)cc1 ZINC000268854836 475046403 /nfs/dbraw/zinc/04/64/03/475046403.db2.gz CTAZANGKFXYQKC-HNAYVOBHSA-N 0 3 328.460 2.795 20 10 EFCDHN C[C@@H](NC[C@@H]1CN(C)CCN1C)c1ccc(N2CCCCC2)cc1 ZINC000268879915 475047301 /nfs/dbraw/zinc/04/73/01/475047301.db2.gz HQCJMEJAVPBHOB-YLJYHZDGSA-N 0 3 330.520 2.573 20 10 EFCDHN C[C@H](NCC(=O)NCC(F)F)c1ccc(N2CCCCC2)cc1 ZINC000280769118 475048474 /nfs/dbraw/zinc/04/84/74/475048474.db2.gz FYWXPBGYRKMDTR-ZDUSSCGKSA-N 0 3 325.403 2.709 20 10 EFCDHN CC[C@H]([NH2+]C1CCN([C@@H]2CCC[C@@H]2O)CC1)c1ccc(F)cc1[O-] ZINC000286016987 475050199 /nfs/dbraw/zinc/05/01/99/475050199.db2.gz IKVSKYKSPFFJED-KSZLIROESA-N 0 3 336.451 2.950 20 10 EFCDHN CN(C)c1ccc(CNC[C@@H](O)C2CCOCC2)c(C(F)(F)F)c1 ZINC000280808639 475050728 /nfs/dbraw/zinc/05/07/28/475050728.db2.gz HWHAJZZMYXBFKO-MRXNPFEDSA-N 0 3 346.393 2.649 20 10 EFCDHN CCOc1cccc(C[N@@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)c1[O-] ZINC000294771342 475080836 /nfs/dbraw/zinc/08/08/36/475080836.db2.gz KFHQKKRPWSHJFE-AWEZNQCLSA-N 0 3 334.460 2.905 20 10 EFCDHN CCOc1cccc(C[N@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)c1[O-] ZINC000294771342 475080842 /nfs/dbraw/zinc/08/08/42/475080842.db2.gz KFHQKKRPWSHJFE-AWEZNQCLSA-N 0 3 334.460 2.905 20 10 EFCDHN CCOCc1cc(CN[C@H](C(=O)N(C)CC)C(C)C)ccc1OC ZINC000294920843 475092564 /nfs/dbraw/zinc/09/25/64/475092564.db2.gz AWLLRCAYNYTGGN-SFHVURJKSA-N 0 3 336.476 2.824 20 10 EFCDHN COC1CCN(c2ccc(CN3CC[C@H](n4cccn4)C3)cc2)CC1 ZINC000294938563 475092945 /nfs/dbraw/zinc/09/29/45/475092945.db2.gz AFHFJURNKXXXSH-IBGZPJMESA-N 0 3 340.471 2.945 20 10 EFCDHN CC[C@H](C[NH2+]Cc1cc2c(cc1[O-])OCO2)NC(=O)OC(C)(C)C ZINC000294979731 475095872 /nfs/dbraw/zinc/09/58/72/475095872.db2.gz GKVBFOPOBQQQFI-GFCCVEGCSA-N 0 3 338.404 2.514 20 10 EFCDHN COC1CCN(c2ccc(CN3CCN(C(C)C)CC3)cc2)CC1 ZINC000295006883 475097062 /nfs/dbraw/zinc/09/70/62/475097062.db2.gz AQOVFTQRJZTECX-UHFFFAOYSA-N 0 3 331.504 2.828 20 10 EFCDHN C[C@@H]([NH2+]C[C@H]1CCCS(=O)(=O)C1)c1cc2c(cc1[O-])CCCC2 ZINC000287242058 475100142 /nfs/dbraw/zinc/10/01/42/475100142.db2.gz YWTDGNAOGRUYQR-ZIAGYGMSSA-N 0 3 337.485 2.746 20 10 EFCDHN COc1cc(Cl)cc(C[NH2+]C2(C(=O)N(C)C)CCCCC2)c1[O-] ZINC000295084505 475103136 /nfs/dbraw/zinc/10/31/36/475103136.db2.gz SMJABWDYUFFDIM-UHFFFAOYSA-N 0 3 340.851 2.935 20 10 EFCDHN CCC[NH2+][C@@H](C)C(=O)N(CC)Cc1cc(Br)ccc1[O-] ZINC000295226883 475113613 /nfs/dbraw/zinc/11/36/13/475113613.db2.gz RMFIUIPNTQECRE-NSHDSACASA-N 0 3 343.265 2.891 20 10 EFCDHN CCC[C@H](C)C(=O)NCCNCc1ccc(OC)c(COCC)c1 ZINC000292807991 475204357 /nfs/dbraw/zinc/20/43/57/475204357.db2.gz WCUCQDAURUGCKC-HNNXBMFYSA-N 0 3 336.476 2.874 20 10 EFCDHN O=C1[C@@H]([NH2+][C@H]2CCc3cccc([O-])c32)CCCN1CC(F)(F)F ZINC000296664376 475418991 /nfs/dbraw/zinc/41/89/91/475418991.db2.gz FLEQSQOGVOKWPX-RYUDHWBXSA-N 0 3 328.334 2.522 20 10 EFCDHN O=C(N1CCCC1)N1CCC[C@H]([NH2+][C@@H]2CCc3cccc([O-])c32)C1 ZINC000297436606 475757358 /nfs/dbraw/zinc/75/73/58/475757358.db2.gz VSNIUHWJNBPADY-JKSUJKDBSA-N 0 3 329.444 2.649 20 10 EFCDHN Cc1c2ccccc2n(C)c1CNC(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000349805344 476004739 /nfs/dbraw/zinc/00/47/39/476004739.db2.gz VITNARZIPHNIRX-OAHLLOKOSA-N 0 3 340.471 2.936 20 10 EFCDHN Cc1c2ccccc2n(C)c1CNC(=O)NCC1=CCN(C)CC1 ZINC000350039502 476036308 /nfs/dbraw/zinc/03/63/08/476036308.db2.gz HUWDXNQOCNPCQR-UHFFFAOYSA-N 0 3 326.444 2.548 20 10 EFCDHN CC[C@H](C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1)N(C)C ZINC000299102318 476134472 /nfs/dbraw/zinc/13/44/72/476134472.db2.gz WQTLQKTVQRTWEV-RBUKOAKNSA-N 0 3 347.503 2.600 20 10 EFCDHN COc1cc([O-])c(C[N@@H+]2CCC[C@H](c3ccnn3C)C2)cc1OC ZINC000368596786 476359265 /nfs/dbraw/zinc/35/92/65/476359265.db2.gz VWEHTRFQETWXQG-ZDUSSCGKSA-N 0 3 331.416 2.523 20 10 EFCDHN COc1cc([O-])c(C[N@H+]2CCC[C@H](c3ccnn3C)C2)cc1OC ZINC000368596786 476359269 /nfs/dbraw/zinc/35/92/69/476359269.db2.gz VWEHTRFQETWXQG-ZDUSSCGKSA-N 0 3 331.416 2.523 20 10 EFCDHN C[C@@H]([NH2+][C@H]1CCN(c2ccccc2C(N)=O)C1)c1cc(F)ccc1[O-] ZINC000373256666 476389529 /nfs/dbraw/zinc/38/95/29/476389529.db2.gz QVZGIXRCJUUORW-OCCSQVGLSA-N 0 3 343.402 2.560 20 10 EFCDHN Cn1ccc(CN[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)n1 ZINC000369295429 476404950 /nfs/dbraw/zinc/40/49/50/476404950.db2.gz VUDSCDUDLGOBPT-INIZCTEOSA-N 0 3 334.851 2.533 20 10 EFCDHN Cn1ccc(CN[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)n1 ZINC000369295431 476405462 /nfs/dbraw/zinc/40/54/62/476405462.db2.gz VUDSCDUDLGOBPT-MRXNPFEDSA-N 0 3 334.851 2.533 20 10 EFCDHN CCN(CC)c1ccc(CN[C@H]2CCN(c3cnn(C)c3)C2)cc1F ZINC000369599921 476431751 /nfs/dbraw/zinc/43/17/51/476431751.db2.gz HAOFAULHFRTSQP-INIZCTEOSA-N 0 3 345.466 2.774 20 10 EFCDHN CN(C)c1ccc(CN2CCC[C@H]2C[C@H](O)c2cnn(C)c2)cc1F ZINC000374254313 476463706 /nfs/dbraw/zinc/46/37/06/476463706.db2.gz DHWSADLJDOBALB-LPHOPBHVSA-N 0 3 346.450 2.713 20 10 EFCDHN CCCC[N@H+](Cc1ccccc1[O-])[C@@H]1CCN(C2CCOCC2)C1=O ZINC000374618828 476492534 /nfs/dbraw/zinc/49/25/34/476492534.db2.gz MPUMOUVGXBBGAK-GOSISDBHSA-N 0 3 346.471 2.774 20 10 EFCDHN CCCC[N@@H+](Cc1ccccc1[O-])[C@@H]1CCN(C2CCOCC2)C1=O ZINC000374618828 476492543 /nfs/dbraw/zinc/49/25/43/476492543.db2.gz MPUMOUVGXBBGAK-GOSISDBHSA-N 0 3 346.471 2.774 20 10 EFCDHN C[C@@H]([NH2+]CCCN1C(=O)NC2(CCCCC2)C1=O)c1ccccc1[O-] ZINC000374708687 476496910 /nfs/dbraw/zinc/49/69/10/476496910.db2.gz BPQAEUCRRYOBRL-CQSZACIVSA-N 0 3 345.443 2.688 20 10 EFCDHN CCN(Cc1ccccc1)c1ccc(CN2C[C@H](O)C[C@H]2CO)cc1 ZINC000370400117 476791418 /nfs/dbraw/zinc/79/14/18/476791418.db2.gz NVUHVCRYZHLXMF-LEWJYISDSA-N 0 3 340.467 2.641 20 10 EFCDHN Cc1ncsc1/C=C/C(=O)N1C[C@H](CN(C)C)Oc2ccccc21 ZINC000372379709 477780950 /nfs/dbraw/zinc/78/09/50/477780950.db2.gz HUIOJHSLPPBFGM-VFNNOXKTSA-N 0 3 343.452 2.821 20 10 EFCDHN CC[C@H]([NH2+][C@H]1CCN(c2ccccc2C(N)=O)C1)c1ccccc1[O-] ZINC000368408797 477804222 /nfs/dbraw/zinc/80/42/22/477804222.db2.gz FMRIVNJLROFCLH-YOEHRIQHSA-N 0 3 339.439 2.811 20 10 EFCDHN CCOc1ccc(C[NH2+][C@@]2(COC)COc3ccccc3C2)c([O-])c1 ZINC000527801558 478525810 /nfs/dbraw/zinc/52/58/10/478525810.db2.gz SKGFEBOXAUOUNE-FQEVSTJZSA-N 0 3 343.423 2.901 20 10 EFCDHN COc1ccc([C@H](NCc2cc3c(cc2O)OCO3)C2CC2)cn1 ZINC000527841437 478542870 /nfs/dbraw/zinc/54/28/70/478542870.db2.gz PFIGEBLLDKDLDX-GOSISDBHSA-N 0 3 328.368 2.765 20 10 EFCDHN COc1ccc([C@H]([NH2+]Cc2cc3c(cc2[O-])OCO3)C2CC2)cn1 ZINC000527841437 478542878 /nfs/dbraw/zinc/54/28/78/478542878.db2.gz PFIGEBLLDKDLDX-GOSISDBHSA-N 0 3 328.368 2.765 20 10 EFCDHN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1CCCN1C1CCCC1 ZINC000648803377 481754251 /nfs/dbraw/zinc/75/42/51/481754251.db2.gz QGVVYPBTEFFPJN-SFHVURJKSA-N 0 3 343.471 2.885 20 10 EFCDHN C[C@H]1CN(C(=O)c2cccc3c2CCNC3)c2ccc(F)cc2O1 ZINC000662630707 481906509 /nfs/dbraw/zinc/90/65/09/481906509.db2.gz HSCMMTCDGLMMEW-LBPRGKRZSA-N 0 3 326.371 2.899 20 10 EFCDHN C[C@H]1CN(C(=O)c2cccc3c2CCNC3)c2ccccc2N(C)C1=O ZINC000662630353 481906629 /nfs/dbraw/zinc/90/66/29/481906629.db2.gz CUPLKRBCWQRKEB-AWEZNQCLSA-N 0 3 349.434 2.592 20 10 EFCDHN C[C@@H]1C[C@H](NC(=O)NCc2ccc(N3CCCC3)cc2)CN1C1CC1 ZINC000177708206 533929278 /nfs/dbraw/zinc/92/92/78/533929278.db2.gz HOLOFGSEZADYQP-WBVHZDCISA-N 0 3 342.487 2.711 20 10 EFCDHN COc1ccc(N2CCCN([C@H]3CCCN(C(C)C)C3=O)CC2)cc1 ZINC000177689341 534002039 /nfs/dbraw/zinc/00/20/39/534002039.db2.gz XWAXNBNFCBDIDC-IBGZPJMESA-N 0 3 345.487 2.607 20 10 EFCDHN COc1ccc(O)c([C@@H](C)N[C@H]2CCN(c3ccccc3)C2=O)c1 ZINC000182322400 534203101 /nfs/dbraw/zinc/20/31/01/534203101.db2.gz FRBDYIPBTKYRCA-DYVFJYSZSA-N 0 3 326.396 2.857 20 10 EFCDHN CN(C)Cc1cccc(CNC(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000031731376 521924707 /nfs/dbraw/zinc/92/47/07/521924707.db2.gz JHTWANWDLWLKPS-UHFFFAOYSA-N 0 3 340.471 2.814 20 10 EFCDHN COc1cccc(CNCc2ccccc2N2CCO[C@H](C)C2)c1O ZINC000298166832 526027564 /nfs/dbraw/zinc/02/75/64/526027564.db2.gz TVISLCGWBMXNSV-OAHLLOKOSA-N 0 3 342.439 2.916 20 10 EFCDHN CC(C)N(C)CC(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 ZINC000070944527 528809791 /nfs/dbraw/zinc/80/97/91/528809791.db2.gz WZVAAZQVNYBCHW-LJQANCHMSA-N 0 3 347.503 2.600 20 10 EFCDHN CCC[C@@H](N)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000236990149 535347844 /nfs/dbraw/zinc/34/78/44/535347844.db2.gz FIRXUXNVVQOQBU-IUODEOHRSA-N 0 3 341.402 2.500 20 10 EFCDHN CCN(CC)c1ccc(CN2CCN([C@H]3CCCN(C)C3)CC2)cc1 ZINC000362375331 535684346 /nfs/dbraw/zinc/68/43/46/535684346.db2.gz CYEGMCLMZNZQTQ-NRFANRHFSA-N 0 3 344.547 2.745 20 10 EFCDHN CCOc1ccc(O)c(CN[C@H]2CCN(Cc3ccccc3)C2=O)c1 ZINC000263722466 535751753 /nfs/dbraw/zinc/75/17/53/535751753.db2.gz WNXLOKLRKYDWNL-SFHVURJKSA-N 0 3 340.423 2.682 20 10 EFCDHN COC(=O)C[C@](C)(NCc1cc(C)c(C)cc1O)c1ccncc1 ZINC000191903527 536360698 /nfs/dbraw/zinc/36/06/98/536360698.db2.gz ZXVVDRJNSHENPC-IBGZPJMESA-N 0 3 328.412 2.972 20 10 EFCDHN COc1ccc(N2CCCN(C[C@H]3CC4(CCC4)C(=O)O3)CC2)cc1 ZINC000248916392 536671450 /nfs/dbraw/zinc/67/14/50/536671450.db2.gz ZWYSPMBIVQEOTN-GOSISDBHSA-N 0 3 344.455 2.693 20 10 EFCDHN COC1CCN(c2ccc(CN[C@H](C)Cn3cccn3)cc2)CC1 ZINC000297657480 536758134 /nfs/dbraw/zinc/75/81/34/536758134.db2.gz YXJFFISMNGHKHF-MRXNPFEDSA-N 0 3 328.460 2.677 20 10 EFCDHN COc1cc(O)c(CN[C@@]2(CO)CCCc3ccccc32)cc1OC ZINC000367031774 536856745 /nfs/dbraw/zinc/85/67/45/536856745.db2.gz WNKMXDPGPHGGTL-HXUWFJFHSA-N 0 3 343.423 2.723 20 10 EFCDHN Cc1cc(C)c(O)c(CN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 ZINC000754726110 575477934 /nfs/dbraw/zinc/47/79/34/575477934.db2.gz OJKZVTJHSKDKQE-UHFFFAOYSA-N 0 3 342.399 2.634 20 10 EFCDHN O=[N+]([O-])c1cc(CN[C@@H](CO)CC2CC2)ccc1N1CCCCC1 ZINC000754835016 575499661 /nfs/dbraw/zinc/49/96/61/575499661.db2.gz QRAWHOGIIODAGP-MRXNPFEDSA-N 0 3 333.432 2.836 20 10 EFCDHN CC(C)[C@H](C[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F)N1CCN(C)CC1 ZINC000756398128 575730852 /nfs/dbraw/zinc/73/08/52/575730852.db2.gz BTLJORIXIJSWDI-PVAVHDDUSA-N 0 3 349.494 2.941 20 10 EFCDHN C[C@@H]1C[C@@H]([NH2+]CC(C)(C)N2CCN(C)CC2)c2c1c(F)ccc2[O-] ZINC000756400030 575731167 /nfs/dbraw/zinc/73/11/67/575731167.db2.gz UHHYGYUYNVYSRC-UKRRQHHQSA-N 0 3 335.467 2.695 20 10 EFCDHN CCN1CCN(CCC[NH2+][C@H]2C[C@@H](C)c3c2c([O-])ccc3F)CC1 ZINC000756408623 575732372 /nfs/dbraw/zinc/73/23/72/575732372.db2.gz QDSYHLLYMQQEHM-ZBFHGGJFSA-N 0 3 335.467 2.697 20 10 EFCDHN C[C@H]1C[C@@H]([NH2+]Cc2ccc(-n3cncn3)nc2)c2c1c(F)ccc2[O-] ZINC000756430981 575738110 /nfs/dbraw/zinc/73/81/10/575738110.db2.gz LISXHADYMCIJRB-SMDDNHRTSA-N 0 3 339.374 2.845 20 10 EFCDHN C[C@H](NC[C@H](O)C[NH+]1CCCC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000756459914 575742648 /nfs/dbraw/zinc/74/26/48/575742648.db2.gz QECCXDGDHRYRHZ-QWRGUYRKSA-N 0 3 333.259 2.806 20 10 EFCDHN Cc1ccc([C@H](C)[NH2+]Cc2ccc(NS(C)(=O)=O)cc2)c([O-])c1 ZINC000756469847 575743654 /nfs/dbraw/zinc/74/36/54/575743654.db2.gz LNXSQCKJUDQFOO-ZDUSSCGKSA-N 0 3 334.441 2.923 20 10 EFCDHN C[C@@H]1C[C@H]([NH2+]CC(=O)NCc2ccccc2)c2c1c(F)ccc2[O-] ZINC000756477434 575745698 /nfs/dbraw/zinc/74/56/98/575745698.db2.gz ZHTNFEJBLMEQLT-DOMZBBRYSA-N 0 3 328.387 2.986 20 10 EFCDHN COc1ccc(O)c([C@@H](C)NCc2cc(OC)c(O)c(OC)c2)c1 ZINC000756523212 575755049 /nfs/dbraw/zinc/75/50/49/575755049.db2.gz APVKYXZVQJGFLT-LLVKDONJSA-N 0 3 333.384 2.974 20 10 EFCDHN CCN1CCN(C[C@H](C)C[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])CC1 ZINC000756535857 575756652 /nfs/dbraw/zinc/75/66/52/575756652.db2.gz RXTYBHPAACSUHG-KGLIPLIRSA-N 0 3 341.446 2.595 20 10 EFCDHN C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(CC(F)(F)F)C2=O)c2c1c(F)ccc2[O-] ZINC000756713907 575780042 /nfs/dbraw/zinc/78/00/42/575780042.db2.gz ZALIUGCCVLCWLN-FBIMIBRVSA-N 0 3 346.324 2.832 20 10 EFCDHN Cc1ccc(O)c([C@H](C)NCc2ccc3c(c2)CCS3(=O)=O)c1 ZINC000756741503 575783055 /nfs/dbraw/zinc/78/30/55/575783055.db2.gz FXZPGONBKQFUDV-ZDUSSCGKSA-N 0 3 331.437 2.881 20 10 EFCDHN C[C@H]([NH2+]Cc1ccc2c(c1)CCS2(=O)=O)c1cc(F)ccc1[O-] ZINC000756757446 575784262 /nfs/dbraw/zinc/78/42/62/575784262.db2.gz NQLKHVMQZRRCEH-NSHDSACASA-N 0 3 335.400 2.712 20 10 EFCDHN Cc1ccc([C@H](C)N[C@@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)c(O)c1C ZINC000756839042 575790792 /nfs/dbraw/zinc/79/07/92/575790792.db2.gz PTSGWRMMULNUNB-HACGYAERSA-N 0 3 342.443 2.587 20 10 EFCDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000757628539 575846114 /nfs/dbraw/zinc/84/61/14/575846114.db2.gz YHDKOQKMZAQWLU-KXBFYZLASA-N 0 3 342.487 2.569 20 10 EFCDHN C[C@H](NC[C@H]1CCCCS1(=O)=O)c1cc2c(cc1O)CCCC2 ZINC000757657930 575847983 /nfs/dbraw/zinc/84/79/83/575847983.db2.gz UHGCRAULODOZCX-XJKSGUPXSA-N 0 3 337.485 2.889 20 10 EFCDHN C[C@H]([NH2+]C[C@H]1CCCCS1(=O)=O)c1cc2c(cc1[O-])CCCC2 ZINC000757657930 575847985 /nfs/dbraw/zinc/84/79/85/575847985.db2.gz UHGCRAULODOZCX-XJKSGUPXSA-N 0 3 337.485 2.889 20 10 EFCDHN C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCCS2(=O)=O)c2c1c(F)ccc2[O-] ZINC000757656971 575848038 /nfs/dbraw/zinc/84/80/38/575848038.db2.gz SXDAGCFIVOVDNE-MDZLAQPJSA-N 0 3 327.421 2.637 20 10 EFCDHN Cc1cccc(C[NH2+]C[C@H](Cc2ccccc2Cl)C(N)=O)c1[O-] ZINC000757906116 575855568 /nfs/dbraw/zinc/85/55/68/575855568.db2.gz JIUAVISZSZIGIG-HNNXBMFYSA-N 0 3 332.831 2.788 20 10 EFCDHN Cc1cc(Br)cc(C[NH2+]C2COC(C)(C)OC2)c1[O-] ZINC000758044694 575858796 /nfs/dbraw/zinc/85/87/96/575858796.db2.gz GXOBYPPOPRQFRH-UHFFFAOYSA-N 0 3 330.222 2.704 20 10 EFCDHN Oc1cccc2c1C[C@H](NCc1ccc(N3CCOCC3)c(F)c1)C2 ZINC000758561675 575872769 /nfs/dbraw/zinc/87/27/69/575872769.db2.gz QBQDONRYMQVYDA-MRXNPFEDSA-N 0 3 342.414 2.625 20 10 EFCDHN [O-]c1cc2c(cc1C[NH2+][C@@H]1CC[C@@H]3SCCS[C@@H]13)OCO2 ZINC000762616190 576318366 /nfs/dbraw/zinc/31/83/66/576318366.db2.gz RWHJUKROKHWIJX-ONERCXAPSA-N 0 3 325.455 2.590 20 10 EFCDHN C[C@H](NCCN1CCCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000764617526 576480177 /nfs/dbraw/zinc/48/01/77/576480177.db2.gz CTKWARYGPVEWJM-HNNXBMFYSA-N 0 3 337.895 2.923 20 10 EFCDHN COc1ccc(O)c([C@H](C)NC(=O)NC[C@H]2CCCCN2C2CC2)c1 ZINC000764850045 576511770 /nfs/dbraw/zinc/51/17/70/576511770.db2.gz JZVDLKXYHVRQIX-DZGCQCFKSA-N 0 3 347.459 2.778 20 10 EFCDHN O=S1(=O)CCC[C@@H]1C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000765267615 577024850 /nfs/dbraw/zinc/02/48/50/577024850.db2.gz QBPOMIHJGSDCEZ-QGZVFWFLSA-N 0 3 331.437 2.726 20 10 EFCDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCc1ccccc1O ZINC000765313110 577031231 /nfs/dbraw/zinc/03/12/31/577031231.db2.gz BIFQAEXUJDZKGE-MAUKXSAKSA-N 0 3 339.439 2.712 20 10 EFCDHN COC(=O)c1cc(CN(C)Cc2ccccc2O)cc(C(=O)OC)c1 ZINC000766918990 577188066 /nfs/dbraw/zinc/18/80/66/577188066.db2.gz NDXZIIIMXDOZOE-UHFFFAOYSA-N 0 3 343.379 2.597 20 10 EFCDHN Cc1cc(CNCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c(C)o1 ZINC000767350278 577205592 /nfs/dbraw/zinc/20/55/92/577205592.db2.gz HVCYWQFBEJBUAC-QGZVFWFLSA-N 0 3 341.455 2.888 20 10 EFCDHN CCOc1ccc(C[NH2+]Cc2ccccc2Cn2cncn2)c([O-])c1 ZINC000725847892 577248063 /nfs/dbraw/zinc/24/80/63/577248063.db2.gz VXMBRFBWFOJBNF-UHFFFAOYSA-N 0 3 338.411 2.721 20 10 EFCDHN CCOc1ccc(C[NH2+][C@H]2CCN(Cc3ccccc3)C2=O)c([O-])c1 ZINC000725850205 577249986 /nfs/dbraw/zinc/24/99/86/577249986.db2.gz QPBQMKUPKROSGS-SFHVURJKSA-N 0 3 340.423 2.682 20 10 EFCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000768218429 577261286 /nfs/dbraw/zinc/26/12/86/577261286.db2.gz NXEODHCEAXDXFV-AWEZNQCLSA-N 0 3 338.411 2.823 20 10 EFCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000768218429 577261287 /nfs/dbraw/zinc/26/12/87/577261287.db2.gz NXEODHCEAXDXFV-AWEZNQCLSA-N 0 3 338.411 2.823 20 10 EFCDHN Cc1[nH]ncc1CNC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000768218678 577261313 /nfs/dbraw/zinc/26/13/13/577261313.db2.gz AWMDURSZGLTZQI-UHFFFAOYSA-N 0 3 341.459 2.954 20 10 EFCDHN COc1cccc(O)c1CN1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000768248440 577262765 /nfs/dbraw/zinc/26/27/65/577262765.db2.gz DQUGFAUOBYQBEO-ZDUSSCGKSA-N 0 3 336.432 2.842 20 10 EFCDHN CCOc1ccc(C[N@H+](C)Cc2cc3c(cc2[O-])OC[C@@H]3O)cc1 ZINC000768437987 577273536 /nfs/dbraw/zinc/27/35/36/577273536.db2.gz MQWFCGYCFJPASD-SFHVURJKSA-N 0 3 329.396 2.849 20 10 EFCDHN CCOc1ccc(C[N@@H+](C)Cc2cc3c(cc2[O-])OC[C@@H]3O)cc1 ZINC000768437987 577273537 /nfs/dbraw/zinc/27/35/37/577273537.db2.gz MQWFCGYCFJPASD-SFHVURJKSA-N 0 3 329.396 2.849 20 10 EFCDHN C[N@H+](CCOc1cccc(Cl)c1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768440604 577273735 /nfs/dbraw/zinc/27/37/35/577273735.db2.gz ASQZMKASHKOLRU-KRWDZBQOSA-N 0 3 349.814 2.982 20 10 EFCDHN C[N@@H+](CCOc1cccc(Cl)c1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768440604 577273737 /nfs/dbraw/zinc/27/37/37/577273737.db2.gz ASQZMKASHKOLRU-KRWDZBQOSA-N 0 3 349.814 2.982 20 10 EFCDHN CC1CCC([NH+]2CCN(Cc3cc4c(cc3[O-])OC[C@H]4O)CC2)CC1 ZINC000768445003 577274002 /nfs/dbraw/zinc/27/40/02/577274002.db2.gz DXJJZVAIDACBKK-GSQSYGFSSA-N 0 3 346.471 2.514 20 10 EFCDHN Cc1cccc([C@@H]2CCC[N@@H+]2Cc2cc3c(cc2[O-])OC[C@@H]3O)n1 ZINC000768463662 577276028 /nfs/dbraw/zinc/27/60/28/577276028.db2.gz VNZMXCBUOVBQMA-WMZOPIPTSA-N 0 3 326.396 2.859 20 10 EFCDHN Cc1cccc([C@@H]2CCC[N@H+]2Cc2cc3c(cc2[O-])OC[C@@H]3O)n1 ZINC000768463662 577276029 /nfs/dbraw/zinc/27/60/29/577276029.db2.gz VNZMXCBUOVBQMA-WMZOPIPTSA-N 0 3 326.396 2.859 20 10 EFCDHN COc1ccc(O)c(CN2CCC([C@@](C)(O)C(F)(F)F)CC2)c1 ZINC000768532158 577281024 /nfs/dbraw/zinc/28/10/24/577281024.db2.gz MEIMPUJSXDMXRF-OAHLLOKOSA-N 0 3 333.350 2.926 20 10 EFCDHN C[C@H](Cn1cccn1)[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000768689507 577295326 /nfs/dbraw/zinc/29/53/26/577295326.db2.gz HZRMADAOIOLBDA-PBHICJAKSA-N 0 3 348.878 2.885 20 10 EFCDHN COc1ccc(N2CCCN(Cc3ccc(N(C)C)nc3)CC2)cc1 ZINC000768999072 577323313 /nfs/dbraw/zinc/32/33/13/577323313.db2.gz SXMARWDMOKJVLN-UHFFFAOYSA-N 0 3 340.471 2.869 20 10 EFCDHN CCOc1ccc(C[N@@H+]2CCCN(Cc3cscn3)CC2)c([O-])c1 ZINC000769318322 577351616 /nfs/dbraw/zinc/35/16/16/577351616.db2.gz UXYOAZNBQLCAPC-UHFFFAOYSA-N 0 3 347.484 2.955 20 10 EFCDHN CCOc1ccc(C[N@H+]2CCCN(Cc3cscn3)CC2)c([O-])c1 ZINC000769318322 577351617 /nfs/dbraw/zinc/35/16/17/577351617.db2.gz UXYOAZNBQLCAPC-UHFFFAOYSA-N 0 3 347.484 2.955 20 10 EFCDHN CCN(CC)c1ccc(CN2CCN([C@@H]3CCC[C@@H]3O)CC2)cc1 ZINC000769328480 577352468 /nfs/dbraw/zinc/35/24/68/577352468.db2.gz PUCRXZORVNAIPP-UXHICEINSA-N 0 3 331.504 2.564 20 10 EFCDHN CCOc1ccc(C[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)c([O-])c1 ZINC000769336978 577353044 /nfs/dbraw/zinc/35/30/44/577353044.db2.gz AQUJOFYTQXAICJ-HNNXBMFYSA-N 0 3 342.443 2.708 20 10 EFCDHN CCOc1ccc(C[N@H+]2CCC[C@H](c3nnc4n3CCC4)C2)c([O-])c1 ZINC000769336978 577353046 /nfs/dbraw/zinc/35/30/46/577353046.db2.gz AQUJOFYTQXAICJ-HNNXBMFYSA-N 0 3 342.443 2.708 20 10 EFCDHN CCOc1ccc(C[N@@H+]2CCC[C@@H](N3CCCCC3=O)C2)c([O-])c1 ZINC000769338582 577353350 /nfs/dbraw/zinc/35/33/50/577353350.db2.gz QULTXKYCYNNVLN-MRXNPFEDSA-N 0 3 332.444 2.768 20 10 EFCDHN CCOc1ccc(C[N@H+]2CCC[C@@H](N3CCCCC3=O)C2)c([O-])c1 ZINC000769338582 577353352 /nfs/dbraw/zinc/35/33/52/577353352.db2.gz QULTXKYCYNNVLN-MRXNPFEDSA-N 0 3 332.444 2.768 20 10 EFCDHN CN(CCn1ccccc1=O)Cc1ccc(N2CCCCC2)cc1 ZINC000726229213 577356980 /nfs/dbraw/zinc/35/69/80/577356980.db2.gz AMMUTTGDCDLNLR-UHFFFAOYSA-N 0 3 325.456 2.971 20 10 EFCDHN CCN(CC)c1ccc(CNC(=O)NCCN(CC)C2CC2)cc1 ZINC000726234990 577357125 /nfs/dbraw/zinc/35/71/25/577357125.db2.gz QUJLLEXBJCSAMI-UHFFFAOYSA-N 0 3 332.492 2.816 20 10 EFCDHN c1ccc2[nH]c(C3CN(Cc4ccc(N5CCOCC5)cc4)C3)nc2c1 ZINC000769481244 577365610 /nfs/dbraw/zinc/36/56/10/577365610.db2.gz TUVBXFPLUCCIJI-UHFFFAOYSA-N 0 3 348.450 2.999 20 10 EFCDHN CCOc1ccc(C[NH+]2CCC3(CC2)[C@H](O)C[C@H]3OCC)c([O-])c1 ZINC000769478718 577365660 /nfs/dbraw/zinc/36/56/60/577365660.db2.gz FREZWZFHHGNXKJ-QZTJIDSGSA-N 0 3 335.444 2.543 20 10 EFCDHN CCOc1ccc(C[NH+]2CCC3(CC2)[C@H](O)C[C@@H]3OCC)c([O-])c1 ZINC000769478712 577365670 /nfs/dbraw/zinc/36/56/70/577365670.db2.gz FREZWZFHHGNXKJ-MSOLQXFVSA-N 0 3 335.444 2.543 20 10 EFCDHN C[C@H]1C[N@H+](Cc2c([O-])cccc2Cl)CC[C@H]1N1CCN(C)CC1 ZINC000769523436 577370055 /nfs/dbraw/zinc/37/00/55/577370055.db2.gz AAVOZXCYMOWYIG-WMLDXEAASA-N 0 3 337.895 2.503 20 10 EFCDHN C[C@H]1C[N@@H+](Cc2c([O-])cccc2Cl)CC[C@H]1N1CCN(C)CC1 ZINC000769523436 577370056 /nfs/dbraw/zinc/37/00/56/577370056.db2.gz AAVOZXCYMOWYIG-WMLDXEAASA-N 0 3 337.895 2.503 20 10 EFCDHN COc1cccc([O-])c1C[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000769542550 577371451 /nfs/dbraw/zinc/37/14/51/577371451.db2.gz KTVUPJMJPQGCTL-INIZCTEOSA-N 0 3 335.444 2.951 20 10 EFCDHN C[C@@H](NCCO[C@H]1CCCCO1)c1ccc(N2CCOCC2)cc1 ZINC000769787192 577385024 /nfs/dbraw/zinc/38/50/24/577385024.db2.gz PRHXDVOEXKUWDA-APWZRJJASA-N 0 3 334.460 2.717 20 10 EFCDHN CC[C@@H]1CN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C[C@H]1O ZINC000770381828 577413993 /nfs/dbraw/zinc/41/39/93/577413993.db2.gz QECQYWMHKPDKIM-CRAIPNDOSA-N 0 3 333.432 2.788 20 10 EFCDHN CCOc1ccc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)c([O-])c1 ZINC000770382918 577414042 /nfs/dbraw/zinc/41/40/42/577414042.db2.gz FQLIUXWEAPCUQB-AEFFLSMTSA-N 0 3 345.443 2.613 20 10 EFCDHN CCOc1ccc(C[N@H+]2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)c([O-])c1 ZINC000770382918 577414044 /nfs/dbraw/zinc/41/40/44/577414044.db2.gz FQLIUXWEAPCUQB-AEFFLSMTSA-N 0 3 345.443 2.613 20 10 EFCDHN CCN(CC)c1ccc(CN[C@@]2(CC(=O)OC)CCCOC2)cc1 ZINC000770680660 581125063 /nfs/dbraw/zinc/12/50/63/581125063.db2.gz VFIGOGPVIZCAAD-LJQANCHMSA-N 0 3 334.460 2.735 20 10 EFCDHN C[C@@H](NC(=O)NCCN1CCC[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000773217070 581406515 /nfs/dbraw/zinc/40/65/15/581406515.db2.gz HCSHXDOBCGKRSY-JKSUJKDBSA-N 0 3 332.492 2.845 20 10 EFCDHN CCN(C)c1ccc(CN2CCCN(C[C@@H]3CCCO3)CC2)cc1 ZINC000773728604 581458608 /nfs/dbraw/zinc/45/86/08/581458608.db2.gz DOYUTHRAPWITMG-FQEVSTJZSA-N 0 3 331.504 2.829 20 10 EFCDHN CCO[C@H]1C[C@H](O)C12CCN(Cc1ccc(N(C)CC)cc1)CC2 ZINC000773752653 581461435 /nfs/dbraw/zinc/46/14/35/581461435.db2.gz IRKPUJJVYWQEED-OALUTQOASA-N 0 3 332.488 2.895 20 10 EFCDHN CCN(C)c1ccc(CN2CCN(CC3CCOCC3)CC2)cc1 ZINC000773754928 581461702 /nfs/dbraw/zinc/46/17/02/581461702.db2.gz SXPMODSNVJFCBE-UHFFFAOYSA-N 0 3 331.504 2.687 20 10 EFCDHN CCN1CCC[C@H]1CNC(=S)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000774256762 581488178 /nfs/dbraw/zinc/48/81/78/581488178.db2.gz OAALWQAJENIZJA-PBHICJAKSA-N 0 3 334.533 2.762 20 10 EFCDHN CCN1CCC[C@H]1CNC(=S)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000774256770 581488186 /nfs/dbraw/zinc/48/81/86/581488186.db2.gz OAALWQAJENIZJA-YOEHRIQHSA-N 0 3 334.533 2.762 20 10 EFCDHN CC(C)CNC(=O)[C@@H]1CC12CC[NH+](Cc1cc(F)ccc1[O-])CC2 ZINC001273284095 1265475421 /nfs/dbraw/zinc/47/54/21/1265475421.db2.gz FMJVLCJRSYMBBY-INIZCTEOSA-N 0 3 334.435 2.906 20 10 EFCDHN CC(C)CNC(=O)[C@H]1CC12CC[NH+](Cc1cc(F)ccc1[O-])CC2 ZINC001273284096 1265476019 /nfs/dbraw/zinc/47/60/19/1265476019.db2.gz FMJVLCJRSYMBBY-MRXNPFEDSA-N 0 3 334.435 2.906 20 10 EFCDHN O=C(NCC(F)F)[C@H]1CC12CC[NH+](Cc1cc(F)ccc1[O-])CC2 ZINC001273285021 1265476710 /nfs/dbraw/zinc/47/67/10/1265476710.db2.gz MNPHXZAUFBECTJ-CYBMUJFWSA-N 0 3 342.361 2.515 20 10 EFCDHN COc1cc(CN[C@@H]2C[C@H]3CCCCN3C2=O)c(O)c(C(C)(C)C)c1 ZINC000850319757 1250425734 /nfs/dbraw/zinc/42/57/34/1250425734.db2.gz FSQKPDGNLQCGJQ-RHSMWYFYSA-N 0 3 346.471 2.941 20 10 EFCDHN CN(C)c1ccc(CNCC2(S(C)(=O)=O)CCCCC2)cc1F ZINC000850376150 1250453527 /nfs/dbraw/zinc/45/35/27/1250453527.db2.gz BELWYHLSZFSKDE-UHFFFAOYSA-N 0 3 342.480 2.729 20 10 EFCDHN OC1CCN(c2ccc(CNCc3n[nH]c4ccccc43)cc2)CC1 ZINC000850405791 1250468331 /nfs/dbraw/zinc/46/83/31/1250468331.db2.gz FEBZTPLTOLOJER-UHFFFAOYSA-N 0 3 336.439 2.814 20 10 EFCDHN OC1CCN(c2ccc(CNCc3[nH]nc4ccccc43)cc2)CC1 ZINC000850405791 1250468337 /nfs/dbraw/zinc/46/83/37/1250468337.db2.gz FEBZTPLTOLOJER-UHFFFAOYSA-N 0 3 336.439 2.814 20 10 EFCDHN Cc1cc([C@@H](C)NCc2ccc(N3CCC(O)CC3)cc2)n(C)n1 ZINC000850567979 1250540678 /nfs/dbraw/zinc/54/06/78/1250540678.db2.gz NCEHQXILEMPLDL-OAHLLOKOSA-N 0 3 328.460 2.540 20 10 EFCDHN COc1ccc(N2CC[C@@H](NC(=O)[C@H](N)CC3CCCCC3)C2)cc1 ZINC000851639613 1251161474 /nfs/dbraw/zinc/16/14/74/1251161474.db2.gz ICGBJKQQVBBADU-VQIMIIECSA-N 0 3 345.487 2.688 20 10 EFCDHN C[C@H]([NH2+]CCNC(=O)c1c(F)cccc1F)c1cc(F)ccc1[O-] ZINC000186025165 1253961716 /nfs/dbraw/zinc/96/17/16/1253961716.db2.gz UUWMTHCGKPCXKU-JTQLQIEISA-N 0 3 338.329 2.890 20 10 EFCDHN CS(=O)(=O)Cc1ccc(CNCc2ccc3c(c2)CCCO3)cc1 ZINC000921562750 1257480484 /nfs/dbraw/zinc/48/04/84/1257480484.db2.gz IMPDONMAGYVGES-UHFFFAOYSA-N 0 3 345.464 2.846 20 10 EFCDHN COCCCN1CCC2(CC[NH+](Cc3ccc(C)cc3[O-])CC2)C1=O ZINC001272764585 1257676284 /nfs/dbraw/zinc/67/62/84/1257676284.db2.gz BJKMCRMGHRVBCI-UHFFFAOYSA-N 0 3 346.471 2.552 20 10 EFCDHN CCOc1cccc(CN[C@@H]2CCN(C3CCCCC3)C2=O)c1O ZINC000131563924 1259352320 /nfs/dbraw/zinc/35/23/20/1259352320.db2.gz AZEGEIQOUNSJQS-MRXNPFEDSA-N 0 3 332.444 2.814 20 10 EFCDHN COC(=O)COc1ccccc1CNCc1ccc(N(C)C)cc1C ZINC000921748155 1261355211 /nfs/dbraw/zinc/35/52/11/1261355211.db2.gz SZAZSLGCASVWEB-UHFFFAOYSA-N 0 3 342.439 2.903 20 10 EFCDHN CCOc1ccc(C[NH2+]C[C@@H]2CCCN2CC(F)(F)F)c([O-])c1 ZINC000922708924 1266631906 /nfs/dbraw/zinc/63/19/06/1266631906.db2.gz MVJRQJNRXYMMEV-ZDUSSCGKSA-N 0 3 332.366 2.907 20 10 EFCDHN CN1c2ccccc2C2(CC[NH+](Cc3ccc(O)cc3[O-])CC2)C1=O ZINC001272987560 1264736669 /nfs/dbraw/zinc/73/66/69/1264736669.db2.gz DFOBUUBIMQBXGZ-UHFFFAOYSA-N 0 3 338.407 2.608 20 10 EFCDHN CCS(=O)(=O)C[C@H](C)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000733329538 1265173288 /nfs/dbraw/zinc/17/32/88/1265173288.db2.gz VANAUUAPYZRCKF-AWEZNQCLSA-N 0 3 333.453 2.972 20 10 EFCDHN COC(=O)[C@@H](C)Oc1ccccc1CNCc1cc(C)ccc1O ZINC000922284494 1265283914 /nfs/dbraw/zinc/28/39/14/1265283914.db2.gz QBMXXOXSWSQDBX-CQSZACIVSA-N 0 3 329.396 2.931 20 10 EFCDHN Cc1cc(N(C)C)ccc1CNCc1cccc(NS(C)(=O)=O)c1 ZINC000734510191 1266997196 /nfs/dbraw/zinc/99/71/96/1266997196.db2.gz SYNBNHIWGJNADD-UHFFFAOYSA-N 0 3 347.484 2.722 20 10 EFCDHN Cc1cc([O-])c(C[NH2+]C[C@H](C(C)C)N2CCN(C)CC2)cc1Cl ZINC000825097736 1278409760 /nfs/dbraw/zinc/40/97/60/1278409760.db2.gz XZXXRDSTWSHIOU-QGZVFWFLSA-N 0 3 339.911 2.716 20 10 EFCDHN COc1ccc(O)c(CN[C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)c1 ZINC000825111685 1278414264 /nfs/dbraw/zinc/41/42/64/1278414264.db2.gz ONHSPZINQKGKMB-UONOGXRCSA-N 0 3 340.423 2.857 20 10 EFCDHN COc1ccc(O)c(CN[C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)c1 ZINC000825111682 1278414745 /nfs/dbraw/zinc/41/47/45/1278414745.db2.gz ONHSPZINQKGKMB-KBPBESRZSA-N 0 3 340.423 2.857 20 10 EFCDHN CCN1CCC[C@H](C[NH2+]Cc2ccc(Br)cc2[O-])C1 ZINC000825167484 1278432303 /nfs/dbraw/zinc/43/23/03/1278432303.db2.gz MXERMKAWCLWIAG-GFCCVEGCSA-N 0 3 327.266 2.976 20 10 EFCDHN CC[C@H](NCc1ccc(N(C)Cc2cccs2)cc1)C(=O)NC ZINC000825316604 1278503710 /nfs/dbraw/zinc/50/37/10/1278503710.db2.gz PYMHDMOQNICBJS-KRWDZBQOSA-N 0 3 331.485 2.999 20 10 EFCDHN CC(C)=CCN1CC[C@H](N(C)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001033699028 1269906552 /nfs/dbraw/zinc/90/65/52/1269906552.db2.gz IQPMHGUYFDFRLY-INIZCTEOSA-N 0 3 343.431 2.962 20 10 EFCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+]C[C@@H](O)C(F)(F)F ZINC000792193273 1278633733 /nfs/dbraw/zinc/63/37/33/1278633733.db2.gz UQJYQJMBIAPION-MRXNPFEDSA-N 0 3 341.329 2.984 20 10 EFCDHN C[C@H]([NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1)c1ccc(F)cc1[O-] ZINC000702566417 1271494672 /nfs/dbraw/zinc/49/46/72/1271494672.db2.gz HJXVCYRPHNXLIY-MGPUTAFESA-N 0 3 344.430 2.819 20 10 EFCDHN C[C@@H]([NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1)c1ccccc1[O-] ZINC000702603463 1271554632 /nfs/dbraw/zinc/55/46/32/1271554632.db2.gz NDVGXCUEBIAPDZ-UZLBHIALSA-N 0 3 326.440 2.680 20 10 EFCDHN [O-]c1cccc(Cl)c1C[NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000702636174 1271564167 /nfs/dbraw/zinc/56/41/67/1271564167.db2.gz MAJLRFOXJLIXHO-LJQANCHMSA-N 0 3 346.858 2.772 20 10 EFCDHN COc1cc(C(=O)N[C@@H]2CCCCN(CC=C(C)C)C2)cc(OC)n1 ZINC001034287896 1271566963 /nfs/dbraw/zinc/56/69/63/1271566963.db2.gz CPCZPGZQOFITGS-MRXNPFEDSA-N 0 3 347.459 2.649 20 10 EFCDHN C[C@H](NC(=O)CN1[C@H](C)CC[C@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000746168359 1271873060 /nfs/dbraw/zinc/87/30/60/1271873060.db2.gz OLMUKZHGFBIVLF-ZACQAIPSSA-N 0 3 345.487 2.573 20 10 EFCDHN CCN(CC)C(=O)C[C@H](C)N1CCN(c2ccc(OC)cc2C)CC1 ZINC001169487085 1272977122 /nfs/dbraw/zinc/97/71/22/1272977122.db2.gz PMCGUGKOEHSKOH-KRWDZBQOSA-N 0 3 347.503 2.773 20 10 EFCDHN [O-]c1cc(Br)ccc1C[NH2+][C@H]1CCN2CCCC[C@H]12 ZINC000691445146 1274055417 /nfs/dbraw/zinc/05/54/17/1274055417.db2.gz OPEBZCOONZHXKZ-UONOGXRCSA-N 0 3 325.250 2.871 20 10 EFCDHN [O-]c1ccc(Cl)cc1C[NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000705684326 1274167700 /nfs/dbraw/zinc/16/77/00/1274167700.db2.gz GGNGMDKGWJBOHO-IBGZPJMESA-N 0 3 346.858 2.772 20 10 EFCDHN [O-]c1cccc(Br)c1C[NH2+]C1CCN(C2CC2)CC1 ZINC000706854138 1275053077 /nfs/dbraw/zinc/05/30/77/1275053077.db2.gz ORZYWEAAOZMKPJ-UHFFFAOYSA-N 0 3 325.250 2.871 20 10 EFCDHN COC(=O)[C@@H]1CC[N@H+](Cc2c([O-])ccc3ccc(OC)cc32)[C@H]1C ZINC000787239942 1275731174 /nfs/dbraw/zinc/73/11/74/1275731174.db2.gz PKLZTFCMPWSMQO-SWLSCSKDSA-N 0 3 329.396 2.937 20 10 EFCDHN COC(=O)[C@@H]1CC[N@@H+](Cc2c([O-])ccc3ccc(OC)cc32)[C@H]1C ZINC000787239942 1275731178 /nfs/dbraw/zinc/73/11/78/1275731178.db2.gz PKLZTFCMPWSMQO-SWLSCSKDSA-N 0 3 329.396 2.937 20 10 EFCDHN CCOc1ccc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c([O-])c1 ZINC000787289877 1275735572 /nfs/dbraw/zinc/73/55/72/1275735572.db2.gz ZSIHBDACDHOOLC-UHFFFAOYSA-N 0 3 346.387 2.733 20 10 EFCDHN CC(C)OCC[C@@H](O)C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000788274460 1276124605 /nfs/dbraw/zinc/12/46/05/1276124605.db2.gz HODWHAUVXCLENQ-QZTJIDSGSA-N 0 3 337.460 2.549 20 10 EFCDHN CC(C)OCC[C@@H](O)C[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000788274460 1276124610 /nfs/dbraw/zinc/12/46/10/1276124610.db2.gz HODWHAUVXCLENQ-QZTJIDSGSA-N 0 3 337.460 2.549 20 10 EFCDHN CC[C@@H](Nc1ccc(N2CC[NH2+]CC2)cn1)c1ccc(F)cc1[O-] ZINC000817951308 1276395968 /nfs/dbraw/zinc/39/59/68/1276395968.db2.gz CYRBSYXXMPOFJW-MRXNPFEDSA-N 0 3 330.407 2.899 20 10 EFCDHN C[C@H](N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cc(Br)cc(Cl)c1[O-] ZINC000817977657 1276416947 /nfs/dbraw/zinc/41/69/47/1276416947.db2.gz NKGJXCMTPDDUDF-IGYIBNOWSA-N 0 3 331.641 2.677 20 10 EFCDHN COc1ccc(N2CC[C@@H](CN[C@@H](C)c3cc(C)n(C)n3)C2)cc1 ZINC000818342934 1276510818 /nfs/dbraw/zinc/51/08/18/1276510818.db2.gz WUOYFOXXFAZADX-HOTGVXAUSA-N 0 3 328.460 2.914 20 10 EFCDHN CC[C@@H](NC[C@@H]1CCN(c2ccc(OC)cc2)C1)c1nccn1C ZINC000818342615 1276511690 /nfs/dbraw/zinc/51/16/90/1276511690.db2.gz STPUJIWWUUYYFG-MAUKXSAKSA-N 0 3 328.460 2.996 20 10 EFCDHN C[C@@]1(CO)CCCN1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000789557961 1276843618 /nfs/dbraw/zinc/84/36/18/1276843618.db2.gz PXOLKIXIFDQIAF-SFHVURJKSA-N 0 3 333.432 2.932 20 10 EFCDHN [O-]c1cc2c(cc1C[N@@H+]1CC3(CCC3)[C@@H]1C1CCOCC1)[C@@H](O)CO2 ZINC000819902062 1276940946 /nfs/dbraw/zinc/94/09/46/1276940946.db2.gz MQLRRISYBNGKQA-HKUYNNGSSA-N 0 3 345.439 2.599 20 10 EFCDHN [O-]c1cc2c(cc1C[N@H+]1CC3(CCC3)[C@@H]1C1CCOCC1)[C@@H](O)CO2 ZINC000819902062 1276940955 /nfs/dbraw/zinc/94/09/55/1276940955.db2.gz MQLRRISYBNGKQA-HKUYNNGSSA-N 0 3 345.439 2.599 20 10 EFCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@H](N4CCCC4=O)C3)c2c1 ZINC000790455464 1277572319 /nfs/dbraw/zinc/57/23/19/1277572319.db2.gz DBTVIQZNKHDCKP-HNNXBMFYSA-N 0 3 340.423 2.751 20 10 EFCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@H](N4CCCC4=O)C3)c2c1 ZINC000790455464 1277572331 /nfs/dbraw/zinc/57/23/31/1277572331.db2.gz DBTVIQZNKHDCKP-HNNXBMFYSA-N 0 3 340.423 2.751 20 10 EFCDHN O=C(NC[C@H]1CCC[N@@H+]1CC1CCCCC1)c1cccc(O)c1[O-] ZINC000790668051 1277708203 /nfs/dbraw/zinc/70/82/03/1277708203.db2.gz JJUMVNOWIQKCOB-OAHLLOKOSA-N 0 3 332.444 2.872 20 10 EFCDHN O=C(NC[C@H]1CCC[N@H+]1CC1CCCCC1)c1cccc(O)c1[O-] ZINC000790668051 1277708210 /nfs/dbraw/zinc/70/82/10/1277708210.db2.gz JJUMVNOWIQKCOB-OAHLLOKOSA-N 0 3 332.444 2.872 20 10 EFCDHN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CC(C)(C)CN2CCCC2)c1 ZINC000790748794 1277757727 /nfs/dbraw/zinc/75/77/27/1277757727.db2.gz QGEIMWLVXTXATC-CQSZACIVSA-N 0 3 334.460 2.951 20 10 EFCDHN [O-]c1ccc(Cl)c(F)c1C[NH2+]C1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000790977404 1277909805 /nfs/dbraw/zinc/90/98/05/1277909805.db2.gz KOWNZENTYGTEED-HOCLYGCPSA-N 0 3 342.842 2.652 20 10 EFCDHN [O-]c1ccc(Cl)c(F)c1CNC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000790977404 1277909809 /nfs/dbraw/zinc/90/98/09/1277909809.db2.gz KOWNZENTYGTEED-HOCLYGCPSA-N 0 3 342.842 2.652 20 10 EFCDHN CN(C)c1ccc(CNC(=O)N2CCN(C3CCCC3)CC2)cc1F ZINC000746977990 1277964789 /nfs/dbraw/zinc/96/47/89/1277964789.db2.gz CFPIAQIHVBVEBC-UHFFFAOYSA-N 0 3 348.466 2.662 20 10 EFCDHN COC(=O)C(C)(C)CC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000792768200 1279164623 /nfs/dbraw/zinc/16/46/23/1279164623.db2.gz XYZLDYYYDZGWEE-INIZCTEOSA-N 0 3 335.444 2.963 20 10 EFCDHN COC(=O)C(C)(C)CC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000792768200 1279164624 /nfs/dbraw/zinc/16/46/24/1279164624.db2.gz XYZLDYYYDZGWEE-INIZCTEOSA-N 0 3 335.444 2.963 20 10 EFCDHN COc1cc(Br)cc(C[NH2+]C[C@@]2(O)CCC[C@@H]2C)c1[O-] ZINC000815158785 1287334510 /nfs/dbraw/zinc/33/45/10/1287334510.db2.gz AFYMNHSKWOVBJZ-BONVTDFDSA-N 0 3 344.249 2.804 20 10 EFCDHN [O-]c1cc(F)c(Br)cc1C[N@H+]1CCc2nccn2CC1 ZINC001144306669 1279404164 /nfs/dbraw/zinc/40/41/64/1279404164.db2.gz LNTLWXUDSHHKEF-UHFFFAOYSA-N 0 3 340.196 2.549 20 10 EFCDHN [O-]c1cc(F)c(Br)cc1C[N@@H+]1CCc2nccn2CC1 ZINC001144306669 1279404169 /nfs/dbraw/zinc/40/41/69/1279404169.db2.gz LNTLWXUDSHHKEF-UHFFFAOYSA-N 0 3 340.196 2.549 20 10 EFCDHN Cc1cc(Br)cc(C[NH2+]CCN2CC=CCC2)c1[O-] ZINC000793319575 1279541366 /nfs/dbraw/zinc/54/13/66/1279541366.db2.gz PMVSHEYKXCOUIT-UHFFFAOYSA-N 0 3 325.250 2.815 20 10 EFCDHN CCOCc1cc(CNC(C)(C)C(=O)N2CCCC2)ccc1OC ZINC000793395510 1279626935 /nfs/dbraw/zinc/62/69/35/1279626935.db2.gz QHSOCQGAAKCQDG-UHFFFAOYSA-N 0 3 334.460 2.722 20 10 EFCDHN COc1cccc([C@H](C)N[C@@H](C)C(=O)Nc2cccnc2C)c1O ZINC000846167758 1280045734 /nfs/dbraw/zinc/04/57/34/1280045734.db2.gz DDSGKICEWXHFEH-AAEUAGOBSA-N 0 3 329.400 2.782 20 10 EFCDHN COc1cccc([C@@H](C)N[C@H](C)C(=O)NCCc2ccccc2)c1O ZINC000846169788 1280046498 /nfs/dbraw/zinc/04/64/98/1280046498.db2.gz UDBZNOSNRSVLEK-HUUCEWRRSA-N 0 3 342.439 2.799 20 10 EFCDHN COc1ccc(N(C)CCN(C)C(=O)C[C@@H](N)c2ccccc2)cc1 ZINC000846697297 1280427029 /nfs/dbraw/zinc/42/70/29/1280427029.db2.gz MZYVJEBQBIZYRY-LJQANCHMSA-N 0 3 341.455 2.680 20 10 EFCDHN CC[C@H](C)N[C@H](CNC(=O)NCc1ccccc1O)c1ccco1 ZINC000806645041 1281121738 /nfs/dbraw/zinc/12/17/38/1281121738.db2.gz RGVNURNGRCOZOE-DZGCQCFKSA-N 0 3 331.416 2.914 20 10 EFCDHN Cn1cnc(CNC2CCN(c3ccc(OC(F)F)cc3)CC2)c1 ZINC000808386103 1281696131 /nfs/dbraw/zinc/69/61/31/1281696131.db2.gz WKXHGCOBTFBOTH-UHFFFAOYSA-N 0 3 336.386 2.780 20 10 EFCDHN CCNC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])C1 ZINC000808706722 1281867006 /nfs/dbraw/zinc/86/70/06/1281867006.db2.gz RWDRXZITOZLNEI-WCQYABFASA-N 0 3 325.840 2.808 20 10 EFCDHN CC[C@H]([NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-])C(=O)N1CCOCC1 ZINC000808700379 1281879159 /nfs/dbraw/zinc/87/91/59/1281879159.db2.gz FONGEBUAUPVAPS-DOMZBBRYSA-N 0 3 340.851 2.642 20 10 EFCDHN CCNC(=O)OC[C@H]1CCCCN1Cc1cc(OCC)ccc1O ZINC000809691185 1282375765 /nfs/dbraw/zinc/37/57/65/1282375765.db2.gz JFCCJIPCJXCJKY-OAHLLOKOSA-N 0 3 336.432 2.892 20 10 EFCDHN CN1CCN(c2ccc(CN3CCCC[C@@H]3c3cc[nH]n3)cc2)CC1 ZINC000809692776 1282379233 /nfs/dbraw/zinc/37/92/33/1282379233.db2.gz GOXRJKAAXGFPPU-HXUWFJFHSA-N 0 3 339.487 2.889 20 10 EFCDHN CCOc1ccc(CN2CC[C@@](C(=O)OC)(C(F)(F)F)C2)c(O)c1 ZINC000809695833 1282381098 /nfs/dbraw/zinc/38/10/98/1282381098.db2.gz ABQVVSXFDMXOLU-OAHLLOKOSA-N 0 3 347.333 2.718 20 10 EFCDHN CN(CC[N@H+](C)C1CCN(C)CC1)Cc1c([O-])ccc(Cl)c1F ZINC000809734802 1282414096 /nfs/dbraw/zinc/41/40/96/1282414096.db2.gz QXVUGLKTKDNASZ-UHFFFAOYSA-N 0 3 343.874 2.643 20 10 EFCDHN CN(CC[N@@H+](C)C1CCN(C)CC1)Cc1c([O-])ccc(Cl)c1F ZINC000809734802 1282414106 /nfs/dbraw/zinc/41/41/06/1282414106.db2.gz QXVUGLKTKDNASZ-UHFFFAOYSA-N 0 3 343.874 2.643 20 10 EFCDHN CCN(C)C(=O)OC[C@H]1CCCCN1Cc1cccc(OC)c1O ZINC000809723206 1282427455 /nfs/dbraw/zinc/42/74/55/1282427455.db2.gz RMUZNHGDLMRKCG-OAHLLOKOSA-N 0 3 336.432 2.844 20 10 EFCDHN CCN(CC)c1ccc(CN(C)[C@@H](CO)COC(C)C)cc1F ZINC000809768741 1282430432 /nfs/dbraw/zinc/43/04/32/1282430432.db2.gz VRNGFZYKIDPCCU-INIZCTEOSA-N 0 3 326.456 2.890 20 10 EFCDHN CN(C)CC[N@@H+](Cc1cc(Cl)cc(F)c1[O-])C[C@H]1CCCO1 ZINC000809737014 1282438111 /nfs/dbraw/zinc/43/81/11/1282438111.db2.gz AQVNYUJAEXKDOL-CQSZACIVSA-N 0 3 330.831 2.727 20 10 EFCDHN CN(C)CC[N@H+](Cc1cc(Cl)cc(F)c1[O-])C[C@H]1CCCO1 ZINC000809737014 1282438116 /nfs/dbraw/zinc/43/81/16/1282438116.db2.gz AQVNYUJAEXKDOL-CQSZACIVSA-N 0 3 330.831 2.727 20 10 EFCDHN COc1cccc(CNCc2ccnn2-c2ccccc2OC)c1O ZINC000809740045 1282439999 /nfs/dbraw/zinc/43/99/99/1282439999.db2.gz KLBWPOVIKVXFFB-UHFFFAOYSA-N 0 3 339.395 2.885 20 10 EFCDHN Cc1cc(CN(C)CCNC(=O)N(C)C)ccc1N1CCCCC1 ZINC000828603402 1287587566 /nfs/dbraw/zinc/58/75/66/1287587566.db2.gz AXQLVZNBSNHNPM-UHFFFAOYSA-N 0 3 332.492 2.688 20 10 EFCDHN CN1CC[C@@](O)(C[NH2+][C@H](CCc2ccccc2)c2ccccc2[O-])C1 ZINC000815616177 1287639529 /nfs/dbraw/zinc/63/95/29/1287639529.db2.gz IBWPXXLXYWLCOX-TZIWHRDSSA-N 0 3 340.467 2.722 20 10 EFCDHN CCN1CC[C@H](C[NH2+]Cc2cc(Br)cc(F)c2[O-])C1 ZINC000715791963 1284331848 /nfs/dbraw/zinc/33/18/48/1284331848.db2.gz MGSGJWSHYJPSKV-SNVBAGLBSA-N 0 3 331.229 2.725 20 10 EFCDHN CCOc1ccc(C[N@@H+]2CC[C@](CO)(c3ccccc3)C2)c([O-])c1 ZINC000812781783 1285415286 /nfs/dbraw/zinc/41/52/86/1285415286.db2.gz FWPYQGVPYGXSAW-FQEVSTJZSA-N 0 3 327.424 2.927 20 10 EFCDHN CCOc1ccc(C[N@H+]2CC[C@](CO)(c3ccccc3)C2)c([O-])c1 ZINC000812781783 1285415291 /nfs/dbraw/zinc/41/52/91/1285415291.db2.gz FWPYQGVPYGXSAW-FQEVSTJZSA-N 0 3 327.424 2.927 20 10 EFCDHN Cc1ccc(C(=O)N[C@H](CN(C)C)c2ccc(F)cc2)c(O)c1O ZINC000813618040 1286026544 /nfs/dbraw/zinc/02/65/44/1286026544.db2.gz HAUCFHWRRIBYPG-OAHLLOKOSA-N 0 3 332.375 2.578 20 10 EFCDHN COC(=O)[C@@H]1CCC[C@H](N2CCN(c3ccc(OC)cc3C)CC2)C1 ZINC001172638368 1286215881 /nfs/dbraw/zinc/21/58/81/1286215881.db2.gz WTNNVXHROHJPSV-SJORKVTESA-N 0 3 346.471 2.857 20 10 EFCDHN CC[C@H]1CN(C)CCN1Cc1cc(Br)cc(C)c1O ZINC000816660550 1288232650 /nfs/dbraw/zinc/23/26/50/1288232650.db2.gz IISCNVDGEAKKQQ-AWEZNQCLSA-N 0 3 327.266 2.989 20 10 EFCDHN COC(=O)c1c(CN2CC[C@@H](C)[C@@H](O)CC2)c2ccccc2n1C ZINC001232402574 1312694173 /nfs/dbraw/zinc/69/41/73/1312694173.db2.gz PQXWQQQQIREPPF-DYVFJYSZSA-N 0 3 330.428 2.558 20 10 EFCDHN COC(=O)c1c(CN2CCC3(CCOC3)CC2)c2ccccc2n1C ZINC001232401952 1312694251 /nfs/dbraw/zinc/69/42/51/1312694251.db2.gz GZGUDUBYVHUFII-UHFFFAOYSA-N 0 3 342.439 2.967 20 10 EFCDHN COC(=O)c1c(CN2CC[C@@H](C)[C@](C)(O)C2)c2ccccc2n1C ZINC001232402968 1312695110 /nfs/dbraw/zinc/69/51/10/1312695110.db2.gz SWHRMOYGVKEBLX-BFUOFWGJSA-N 0 3 330.428 2.558 20 10 EFCDHN COC(=O)c1c(CN2CC[C@@H](C)[C@@](C)(O)C2)c2ccccc2n1C ZINC001232402969 1312695225 /nfs/dbraw/zinc/69/52/25/1312695225.db2.gz SWHRMOYGVKEBLX-YJYMSZOUSA-N 0 3 330.428 2.558 20 10 EFCDHN COC(=O)c1c(CN2CC[C@H](OC)C[C@H]2C)c2ccccc2n1C ZINC001232409597 1312696401 /nfs/dbraw/zinc/69/64/01/1312696401.db2.gz FTVMZFSXSQYVCU-KGLIPLIRSA-N 0 3 330.428 2.964 20 10 EFCDHN CN1CCCc2cc(CNCc3cccc(S(C)(=O)=O)c3)ccc21 ZINC000823730631 1289434977 /nfs/dbraw/zinc/43/49/77/1289434977.db2.gz YHNQDERKBZVCEZ-UHFFFAOYSA-N 0 3 344.480 2.762 20 10 EFCDHN CCN(CC)c1ccc(CNCc2ccc(C(=O)OC)n2C)cc1 ZINC000873015841 1289521169 /nfs/dbraw/zinc/52/11/69/1289521169.db2.gz ZIFLDFVLXCQOTE-UHFFFAOYSA-N 0 3 329.444 2.948 20 10 EFCDHN CCCOc1ccc(CNCc2cccc(OCC(N)=O)c2)cc1C ZINC000873063260 1289547707 /nfs/dbraw/zinc/54/77/07/1289547707.db2.gz OPDDFEVUMQXRSS-UHFFFAOYSA-N 0 3 342.439 2.938 20 10 EFCDHN COc1cc(CN2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)c(O)c(C(C)(C)C)c1 ZINC000825658728 1289603173 /nfs/dbraw/zinc/60/31/73/1289603173.db2.gz SGOUNMDZSCJTDN-YLQAJVPDSA-N 0 3 346.471 2.784 20 10 EFCDHN C[C@H](NCc1ccc(N(C)Cc2cccs2)cc1)C(=O)NCCF ZINC000824339285 1289613686 /nfs/dbraw/zinc/61/36/86/1289613686.db2.gz RHYTZNAGDWGENQ-AWEZNQCLSA-N 0 3 349.475 2.948 20 10 EFCDHN CCCN1CCN(Cc2cc(Br)cc(C)c2O)CC1 ZINC000124501114 1289773285 /nfs/dbraw/zinc/77/32/85/1289773285.db2.gz MSYRWLLRKUKKHW-UHFFFAOYSA-N 0 3 327.266 2.991 20 10 EFCDHN O=C(NCc1cc(Cl)c2cccnc2c1[O-])C12CC[NH+](CC1)CC2 ZINC001181551606 1289843203 /nfs/dbraw/zinc/84/32/03/1289843203.db2.gz IXKQMXHQPBGMIY-UHFFFAOYSA-N 0 3 345.830 2.696 20 10 EFCDHN CO[C@@H](C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1)C1CCOCC1 ZINC000876531692 1290936883 /nfs/dbraw/zinc/93/68/83/1290936883.db2.gz MKDCJOJQJLLSBX-ICSRJNTNSA-N 0 3 349.471 2.815 20 10 EFCDHN CO[C@@H](C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1)C1CCOCC1 ZINC000876531692 1290936887 /nfs/dbraw/zinc/93/68/87/1290936887.db2.gz MKDCJOJQJLLSBX-ICSRJNTNSA-N 0 3 349.471 2.815 20 10 EFCDHN COCC[C@H](C[N@H+](C)Cc1ccccc1[O-])NC(=O)OC(C)(C)C ZINC000876615818 1290956702 /nfs/dbraw/zinc/95/67/02/1290956702.db2.gz MBENEAWBKCHYPM-OAHLLOKOSA-N 0 3 338.448 2.754 20 10 EFCDHN COCC[C@H](C[N@@H+](C)Cc1ccccc1[O-])NC(=O)OC(C)(C)C ZINC000876615818 1290956705 /nfs/dbraw/zinc/95/67/05/1290956705.db2.gz MBENEAWBKCHYPM-OAHLLOKOSA-N 0 3 338.448 2.754 20 10 EFCDHN COc1ccc(CN(CCO)Cc2c(C)cccc2O)c(OC)c1 ZINC000876731546 1290993388 /nfs/dbraw/zinc/99/33/88/1290993388.db2.gz SAKKEXJHLICGJH-UHFFFAOYSA-N 0 3 331.412 2.712 20 10 EFCDHN Cc1cccc([O-])c1C[NH2+]C[C@H](c1cccs1)N1CCOCC1 ZINC000876890305 1291059581 /nfs/dbraw/zinc/05/95/81/1291059581.db2.gz WPOITAYYMCEPHA-MRXNPFEDSA-N 0 3 332.469 2.925 20 10 EFCDHN Cc1ccc([C@H](C[NH2+]Cc2ccc(C)cc2[O-])N2CCOCC2)o1 ZINC000876904766 1291068048 /nfs/dbraw/zinc/06/80/48/1291068048.db2.gz KCFBIUNNWPTFEV-KRWDZBQOSA-N 0 3 330.428 2.765 20 10 EFCDHN OCc1ccc(CNCc2ccc(N3CCC(O)CC3)c(F)c2)cc1 ZINC000876966582 1291090810 /nfs/dbraw/zinc/09/08/10/1291090810.db2.gz WSSPDYVHQQSWKB-UHFFFAOYSA-N 0 3 344.430 2.569 20 10 EFCDHN CCc1cc(N2CCC[C@@H]([NH2+]Cc3ccc(C)cc3[O-])C2)ncn1 ZINC000877010120 1291106520 /nfs/dbraw/zinc/10/65/20/1291106520.db2.gz LWHDJIHMPRCDGO-QGZVFWFLSA-N 0 3 326.444 2.812 20 10 EFCDHN Cc1cccc([O-])c1C[NH2+]C[C@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000877050037 1291117066 /nfs/dbraw/zinc/11/70/66/1291117066.db2.gz XWDMZRJGROKOBY-INIZCTEOSA-N 0 3 349.814 2.948 20 10 EFCDHN CCc1cc(N2CCC([NH2+]Cc3c(C)cccc3[O-])CC2)ncn1 ZINC000877080260 1291127728 /nfs/dbraw/zinc/12/77/28/1291127728.db2.gz OZSDVLZFMNIWPH-UHFFFAOYSA-N 0 3 326.444 2.812 20 10 EFCDHN CN(Cc1c([O-])cc(Br)cc1F)C1CC[NH+](C)CC1 ZINC001233026755 1312835355 /nfs/dbraw/zinc/83/53/55/1312835355.db2.gz DPBARFVTJPRKHX-UHFFFAOYSA-N 0 3 331.229 2.820 20 10 EFCDHN Cc1cccc([O-])c1C[N@H+]1C[C@H](c2cnn(C)c2)C2(C1)CCOCC2 ZINC000877563918 1291277590 /nfs/dbraw/zinc/27/75/90/1291277590.db2.gz QLYDODNCBKTBEO-GOSISDBHSA-N 0 3 341.455 2.830 20 10 EFCDHN Cc1cccc([O-])c1C[N@@H+]1C[C@H](c2cnn(C)c2)C2(C1)CCOCC2 ZINC000877563918 1291277594 /nfs/dbraw/zinc/27/75/94/1291277594.db2.gz QLYDODNCBKTBEO-GOSISDBHSA-N 0 3 341.455 2.830 20 10 EFCDHN Nc1c(F)cccc1CNCc1ccc(N2CCC(O)CC2)cc1 ZINC000877637189 1291301586 /nfs/dbraw/zinc/30/15/86/1291301586.db2.gz PYPNRJJTBBTLSR-UHFFFAOYSA-N 0 3 329.419 2.659 20 10 EFCDHN C[C@@H]([NH2+]Cc1ccccc1OCC(=O)N(C)C)c1ccccc1[O-] ZINC000877756563 1291361173 /nfs/dbraw/zinc/36/11/73/1291361173.db2.gz SKDFYALWFIOARE-CQSZACIVSA-N 0 3 328.412 2.710 20 10 EFCDHN COc1cc(O)c(CNCc2cc3c([nH]c2=O)CCCC3)cc1OC ZINC000877779181 1291374068 /nfs/dbraw/zinc/37/40/68/1291374068.db2.gz AJXPXHPGPIKCNF-UHFFFAOYSA-N 0 3 344.411 2.679 20 10 EFCDHN Cc1cc(Br)cc(CN2CC[C@@H](O)[C@H](F)CC2)c1O ZINC001233105968 1312856204 /nfs/dbraw/zinc/85/62/04/1312856204.db2.gz FSCBKJAZWWQZTH-CHWSQXEVSA-N 0 3 332.213 2.758 20 10 EFCDHN COC(=O)CC[N@H+](Cc1cc(Br)cc(C)c1[O-])C1CC1 ZINC001233111766 1312856710 /nfs/dbraw/zinc/85/67/10/1312856710.db2.gz WVWJTVITTZUGAP-UHFFFAOYSA-N 0 3 342.233 2.991 20 10 EFCDHN COC(=O)CC[N@@H+](Cc1cc(Br)cc(C)c1[O-])C1CC1 ZINC001233111766 1312856713 /nfs/dbraw/zinc/85/67/13/1312856713.db2.gz WVWJTVITTZUGAP-UHFFFAOYSA-N 0 3 342.233 2.991 20 10 EFCDHN C[C@@H](NCC(=O)N1CCCCCC1)c1ccc(N2CCOCC2)cc1 ZINC000775254214 1291727389 /nfs/dbraw/zinc/72/73/89/1291727389.db2.gz IVPXONVCHRJFPT-QGZVFWFLSA-N 0 3 345.487 2.576 20 10 EFCDHN CCOC(=O)c1c(CN2C[C@H](C)N(C)C[C@H]2C)c2ccccc2n1C ZINC001233271416 1312889797 /nfs/dbraw/zinc/88/97/97/1312889797.db2.gz YTMQRDTULKEOPK-LSDHHAIUSA-N 0 3 343.471 2.879 20 10 EFCDHN CCOC(=O)c1c(CN2CCC[C@@H]2COC)c2ccccc2n1C ZINC001233270266 1312890033 /nfs/dbraw/zinc/89/00/33/1312890033.db2.gz HGFQZXRYKILQTD-CQSZACIVSA-N 0 3 330.428 2.966 20 10 EFCDHN COC(=O)[C@H]1CC[C@@H](C)N(Cc2cc(Cl)cc(OC)c2O)C1 ZINC001233289681 1312896235 /nfs/dbraw/zinc/89/62/35/1312896235.db2.gz HOOLASUCRAIHCB-MNOVXSKESA-N 0 3 327.808 2.828 20 10 EFCDHN COC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC001233289681 1312896240 /nfs/dbraw/zinc/89/62/40/1312896240.db2.gz HOOLASUCRAIHCB-MNOVXSKESA-N 0 3 327.808 2.828 20 10 EFCDHN COC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC001233289681 1312896242 /nfs/dbraw/zinc/89/62/42/1312896242.db2.gz HOOLASUCRAIHCB-MNOVXSKESA-N 0 3 327.808 2.828 20 10 EFCDHN COC(=O)[C@@H]1C[C@@H](C)CN(Cc2cc(Cl)cc(OC)c2O)C1 ZINC001233290138 1312896525 /nfs/dbraw/zinc/89/65/25/1312896525.db2.gz LIIJEYHGQWHMLK-ZYHUDNBSSA-N 0 3 327.808 2.685 20 10 EFCDHN COC(=O)[C@@H]1C[C@@H](C)C[N@H+](Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC001233290138 1312896529 /nfs/dbraw/zinc/89/65/29/1312896529.db2.gz LIIJEYHGQWHMLK-ZYHUDNBSSA-N 0 3 327.808 2.685 20 10 EFCDHN COC(=O)[C@@H]1C[C@@H](C)C[N@@H+](Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC001233290138 1312896532 /nfs/dbraw/zinc/89/65/32/1312896532.db2.gz LIIJEYHGQWHMLK-ZYHUDNBSSA-N 0 3 327.808 2.685 20 10 EFCDHN COC(=O)CC[C@H]1CC[N@H+](Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC001233290012 1312896779 /nfs/dbraw/zinc/89/67/79/1312896779.db2.gz CTPDFWJSMWWPHN-NSHDSACASA-N 0 3 327.808 2.829 20 10 EFCDHN COC(=O)CC[C@H]1CC[N@@H+](Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC001233290012 1312896783 /nfs/dbraw/zinc/89/67/83/1312896783.db2.gz CTPDFWJSMWWPHN-NSHDSACASA-N 0 3 327.808 2.829 20 10 EFCDHN COc1ccc(O)c([C@H](C)NCC(=O)Nc2c(F)cccc2F)c1 ZINC000775370515 1292086144 /nfs/dbraw/zinc/08/61/44/1292086144.db2.gz OIYYCAGGFVXZRN-JTQLQIEISA-N 0 3 336.338 2.968 20 10 EFCDHN CCc1ccc(CNC(=O)CN[C@H](C)c2cc(OC)ccc2O)s1 ZINC000775370584 1292086909 /nfs/dbraw/zinc/08/69/09/1292086909.db2.gz WVRHZBOWXKLZQA-GFCCVEGCSA-N 0 3 348.468 2.992 20 10 EFCDHN CCc1ccc(CNC(=O)CN[C@@H](C)c2cc(OC)ccc2O)s1 ZINC000775370585 1292087395 /nfs/dbraw/zinc/08/73/95/1292087395.db2.gz WVRHZBOWXKLZQA-LBPRGKRZSA-N 0 3 348.468 2.992 20 10 EFCDHN [O-]c1ccc(F)c(F)c1C[NH+]1C[C@@H]2CN(Cc3cccnc3)C[C@H]2C1 ZINC001233333494 1312906194 /nfs/dbraw/zinc/90/61/94/1312906194.db2.gz XUKYJLFVDCFMSP-GJZGRUSLSA-N 0 3 345.393 2.629 20 10 EFCDHN [O-]c1ccc(F)c(F)c1CN1C[C@@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001233333494 1312906196 /nfs/dbraw/zinc/90/61/96/1312906196.db2.gz XUKYJLFVDCFMSP-GJZGRUSLSA-N 0 3 345.393 2.629 20 10 EFCDHN Cc1cc(NC(=O)C[NH2+][C@H](C)c2ccccc2[O-])n(C(C)(C)C)n1 ZINC000879648665 1292217738 /nfs/dbraw/zinc/21/77/38/1292217738.db2.gz YLLDBZJHLBRFQM-CYBMUJFWSA-N 0 3 330.432 2.941 20 10 EFCDHN C[C@@H]([NH2+][C@@H](C)C(=O)NCCc1ccc(F)cc1)c1ccccc1[O-] ZINC000879648996 1292217944 /nfs/dbraw/zinc/21/79/44/1292217944.db2.gz ISVWMLQQRIFGLY-KGLIPLIRSA-N 0 3 330.403 2.929 20 10 EFCDHN COc1cccc(COC[C@@H](O)C[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000879648979 1292218262 /nfs/dbraw/zinc/21/82/62/1292218262.db2.gz IIQZGEKIVKCKRR-ZBFHGGJFSA-N 0 3 331.412 2.629 20 10 EFCDHN COc1ccc(NC(=O)C[NH2+][C@H](C)c2ccccc2[O-])c(OC)c1 ZINC000879648797 1292218357 /nfs/dbraw/zinc/21/83/57/1292218357.db2.gz DYKKBPGBZNTLSG-GFCCVEGCSA-N 0 3 330.384 2.699 20 10 EFCDHN Cc1cccc(OCCCNC(=O)C[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000879648189 1292218789 /nfs/dbraw/zinc/21/87/89/1292218789.db2.gz CUWADPUFYZOAPU-MRXNPFEDSA-N 0 3 342.439 2.937 20 10 EFCDHN COc1ccccc1COC[C@H](O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000879648954 1292218964 /nfs/dbraw/zinc/21/89/64/1292218964.db2.gz HEOKWHQYEBTBPF-GDBMZVCRSA-N 0 3 331.412 2.629 20 10 EFCDHN CCCCc1nnc(NC(=O)CN[C@H](C)c2ccccc2O)s1 ZINC000879649448 1292219099 /nfs/dbraw/zinc/21/90/99/1292219099.db2.gz UDULVOFJKDAWLF-LLVKDONJSA-N 0 3 334.445 2.876 20 10 EFCDHN CCCCc1nnc(NC(=O)C[NH2+][C@H](C)c2ccccc2[O-])s1 ZINC000879649448 1292219107 /nfs/dbraw/zinc/21/91/07/1292219107.db2.gz UDULVOFJKDAWLF-LLVKDONJSA-N 0 3 334.445 2.876 20 10 EFCDHN CC(=O)c1cccc(OC[C@H](O)C[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000879649980 1292219401 /nfs/dbraw/zinc/21/94/01/1292219401.db2.gz WIVWAWLCASNIPW-CZUORRHYSA-N 0 3 329.396 2.685 20 10 EFCDHN CC[NH+](CC)C[C@@H]1CN(Cc2ccc(C(F)(F)F)cc2[O-])CCO1 ZINC001233455444 1312935628 /nfs/dbraw/zinc/93/56/28/1312935628.db2.gz LPCHGSBUTYXNIW-OAHLLOKOSA-N 0 3 346.393 2.954 20 10 EFCDHN CC[NH+](CC)C[C@H]1CN(Cc2ccc(C(F)(F)F)cc2[O-])CCO1 ZINC001233455443 1312935757 /nfs/dbraw/zinc/93/57/57/1312935757.db2.gz LPCHGSBUTYXNIW-HNNXBMFYSA-N 0 3 346.393 2.954 20 10 EFCDHN [O-]c1cc(C(F)(F)F)ccc1CN1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001233455539 1312935770 /nfs/dbraw/zinc/93/57/70/1312935770.db2.gz PCGHYBSZBNVLKS-HNNXBMFYSA-N 0 3 344.377 2.708 20 10 EFCDHN CCOC(=O)c1cn2cccc(CN(C)Cc3ccccc3O)c2n1 ZINC001233459283 1312937068 /nfs/dbraw/zinc/93/70/68/1312937068.db2.gz CLYCLFMGLLRBDH-UHFFFAOYSA-N 0 3 339.395 2.849 20 10 EFCDHN Oc1cc(O)c(CN2CCC(O)(c3ccc(Cl)cc3)CC2)cc1O ZINC001233482471 1312939747 /nfs/dbraw/zinc/93/97/47/1312939747.db2.gz OREMJVVJSYAHOJ-UHFFFAOYSA-N 0 3 349.814 2.940 20 10 EFCDHN CCOC(=O)CCN(Cc1ccccc1)Cc1cc(O)c(O)cc1O ZINC001233483494 1312939933 /nfs/dbraw/zinc/93/99/33/1312939933.db2.gz AYSLXARFWRNDKV-UHFFFAOYSA-N 0 3 345.395 2.759 20 10 EFCDHN CC(C)N(CCNC(=O)OC(C)(C)C)Cc1cc(O)c(O)cc1O ZINC001233485805 1312940376 /nfs/dbraw/zinc/94/03/76/1312940376.db2.gz LDJDISFKSCNDRF-UHFFFAOYSA-N 0 3 340.420 2.539 20 10 EFCDHN CN1C[C@H](NCc2ccc3c(c2)CCN3Cc2ccccc2)CC1=O ZINC000796284507 1292757087 /nfs/dbraw/zinc/75/70/87/1292757087.db2.gz RGGMBHUABIHCJS-LJQANCHMSA-N 0 3 335.451 2.570 20 10 EFCDHN Cc1cc(C(=O)Cn2cc([C@@H](C)N)nn2)c(C)n1-c1cccc(C)c1 ZINC000881228401 1292792300 /nfs/dbraw/zinc/79/23/00/1292792300.db2.gz UUCRYPADCGFKFW-CQSZACIVSA-N 0 3 337.427 2.897 20 10 EFCDHN CN(Cc1ccco1)[C@@H]1C[N@H+](Cc2ccccc2[O-])[C@@H]2CCCO[C@H]12 ZINC001203552304 1312953959 /nfs/dbraw/zinc/95/39/59/1312953959.db2.gz IPMCQFKZVJBZLJ-GGPKGHCWSA-N 0 3 342.439 2.849 20 10 EFCDHN CN(Cc1ccco1)[C@@H]1C[N@@H+](Cc2ccccc2[O-])[C@@H]2CCCO[C@H]12 ZINC001203552304 1312953962 /nfs/dbraw/zinc/95/39/62/1312953962.db2.gz IPMCQFKZVJBZLJ-GGPKGHCWSA-N 0 3 342.439 2.849 20 10 EFCDHN O=C1N(CC(F)(F)F)CCC12CC[NH+](Cc1ccccc1[O-])CC2 ZINC001203560561 1312956101 /nfs/dbraw/zinc/95/61/01/1312956101.db2.gz CRAFQXZATIBKNM-UHFFFAOYSA-N 0 3 342.361 2.769 20 10 EFCDHN COc1cccc(CN2C[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]32)c1O ZINC001203590282 1312965154 /nfs/dbraw/zinc/96/51/54/1312965154.db2.gz VSVKKGQKZOXBNN-GJZGRUSLSA-N 0 3 348.443 2.842 20 10 EFCDHN CCOc1cccc(CN2C[C@@H]3CN(C(=O)OC(C)(C)C)[C@H]3C2)c1O ZINC001203615715 1312971971 /nfs/dbraw/zinc/97/19/71/1312971971.db2.gz YUEYXNVTUFSWKL-CABCVRRESA-N 0 3 348.443 2.842 20 10 EFCDHN CCOc1cccc(CN2CCC[C@@H](Oc3cnccn3)C2)c1O ZINC001203617688 1312972255 /nfs/dbraw/zinc/97/22/55/1312972255.db2.gz UKAMSEWWASUEIG-OAHLLOKOSA-N 0 3 329.400 2.624 20 10 EFCDHN COc1ccc(C[NH+]2CCC3(CCn4c(C)cnc43)CC2)c([O-])c1 ZINC001203622734 1312973923 /nfs/dbraw/zinc/97/39/23/1312973923.db2.gz AXGHDYLRNWDOGR-UHFFFAOYSA-N 0 3 327.428 2.843 20 10 EFCDHN COCC[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1ccc(OC)cc1[O-])C2 ZINC001203623623 1312974498 /nfs/dbraw/zinc/97/44/98/1312974498.db2.gz VJCORIAGXRQZLK-DNVCBOLYSA-N 0 3 335.444 2.808 20 10 EFCDHN COCC[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1ccc(OC)cc1[O-])C2 ZINC001203623623 1312974501 /nfs/dbraw/zinc/97/45/01/1312974501.db2.gz VJCORIAGXRQZLK-DNVCBOLYSA-N 0 3 335.444 2.808 20 10 EFCDHN COc1ccc(C[N@@H+]2CCC[C@]3(CCCCN3C(C)=O)C2)c([O-])c1 ZINC001203630854 1312976154 /nfs/dbraw/zinc/97/61/54/1312976154.db2.gz XEIXWXUDDAPEBF-LJQANCHMSA-N 0 3 332.444 2.768 20 10 EFCDHN COc1ccc(C[N@H+]2CCC[C@]3(CCCCN3C(C)=O)C2)c([O-])c1 ZINC001203630854 1312976156 /nfs/dbraw/zinc/97/61/56/1312976156.db2.gz XEIXWXUDDAPEBF-LJQANCHMSA-N 0 3 332.444 2.768 20 10 EFCDHN COc1ccc(C[NH+]2CCC3(CC(=O)N(CC4CC4)C3)CC2)c([O-])c1 ZINC001203635328 1312977092 /nfs/dbraw/zinc/97/70/92/1312977092.db2.gz PUVBLWVYKPFDIN-UHFFFAOYSA-N 0 3 344.455 2.625 20 10 EFCDHN COc1ccc(OC2CC[NH+](Cc3ccc(OC)cc3[O-])CC2)nc1 ZINC001203635166 1312977217 /nfs/dbraw/zinc/97/72/17/1312977217.db2.gz MJNFXSOLJBIOSP-UHFFFAOYSA-N 0 3 344.411 2.848 20 10 EFCDHN COC(=O)[C@H]1C[N@H+](Cc2ccc(OC)cc2[O-])C[C@@H]1c1ccccc1 ZINC001203635317 1312977338 /nfs/dbraw/zinc/97/73/38/1312977338.db2.gz PNRGSYKGHQDATC-MSOLQXFVSA-N 0 3 341.407 2.789 20 10 EFCDHN COC(=O)[C@H]1C[N@@H+](Cc2ccc(OC)cc2[O-])C[C@@H]1c1ccccc1 ZINC001203635317 1312977342 /nfs/dbraw/zinc/97/73/42/1312977342.db2.gz PNRGSYKGHQDATC-MSOLQXFVSA-N 0 3 341.407 2.789 20 10 EFCDHN COC(=O)[C@H]1CCC[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])C1 ZINC001233726761 1312978652 /nfs/dbraw/zinc/97/86/52/1312978652.db2.gz HDBPKCPNYNCGGD-NSHDSACASA-N 0 3 333.306 2.676 20 10 EFCDHN COC(=O)[C@H]1CCC[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])C1 ZINC001233726761 1312978656 /nfs/dbraw/zinc/97/86/56/1312978656.db2.gz HDBPKCPNYNCGGD-NSHDSACASA-N 0 3 333.306 2.676 20 10 EFCDHN CC(=N)N(Cc1cccc(C[NH3+])c1)C(=O)c1ccc([O-])c(O)c1Cl ZINC001193254470 1293216052 /nfs/dbraw/zinc/21/60/52/1293216052.db2.gz JVZWWYJLXZEFPF-UHFFFAOYSA-N 0 3 347.802 2.849 20 10 EFCDHN C[C@H]1C[C@H]([NH2+]CCCCCS(C)(=O)=O)c2c1c(F)ccc2[O-] ZINC000775585762 1293224466 /nfs/dbraw/zinc/22/44/66/1293224466.db2.gz IUFCWDJZBWFJSY-AAEUAGOBSA-N 0 3 329.437 2.884 20 10 EFCDHN CCOC(=O)[C@@H]1CC[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])C1 ZINC001233761310 1312985944 /nfs/dbraw/zinc/98/59/44/1312985944.db2.gz REQVSJQRMNINGI-LLVKDONJSA-N 0 3 333.306 2.676 20 10 EFCDHN CCOC(=O)[C@@H]1CC[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])C1 ZINC001233761310 1312985947 /nfs/dbraw/zinc/98/59/47/1312985947.db2.gz REQVSJQRMNINGI-LLVKDONJSA-N 0 3 333.306 2.676 20 10 EFCDHN COc1ccc(O)c(CN2C[C@@H](NC(=O)OC(C)(C)C)C3(CC3)C2)c1 ZINC001203670356 1312986006 /nfs/dbraw/zinc/98/60/06/1312986006.db2.gz ORGBVIXAIYSHAL-MRXNPFEDSA-N 0 3 348.443 2.890 20 10 EFCDHN COc1ccc(O)c(CN2CC[C@H]3O[C@H](c4nc(C)no4)CC[C@H]32)c1 ZINC001203673154 1312986318 /nfs/dbraw/zinc/98/63/18/1312986318.db2.gz PDNYBNZYKSMHPT-OIISXLGYSA-N 0 3 345.399 2.587 20 10 EFCDHN O=c1[nH]ccc2c1CCN(Cc1cccc(OC(F)(F)F)c1O)C2 ZINC001233767334 1312987542 /nfs/dbraw/zinc/98/75/42/1312987542.db2.gz AAFXMYPCKQYGSU-UHFFFAOYSA-N 0 3 340.301 2.950 20 10 EFCDHN COc1ccc(O)c(CN2CCC[C@H](Oc3ncccc3OC)C2)c1 ZINC001203681467 1312988962 /nfs/dbraw/zinc/98/89/62/1312988962.db2.gz YNCKAGBHTBWDBI-INIZCTEOSA-N 0 3 344.411 2.848 20 10 EFCDHN COC(=O)c1ccc(C2CN(Cc3cc(OC)ccc3O)C2)cc1 ZINC001203680848 1312989266 /nfs/dbraw/zinc/98/92/66/1312989266.db2.gz HCEMGKYOAVWBIK-UHFFFAOYSA-N 0 3 327.380 2.787 20 10 EFCDHN COC(=O)[C@@H]1C[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])CC12CC2 ZINC001233776075 1312989880 /nfs/dbraw/zinc/98/98/80/1312989880.db2.gz JLPLVJJEOIZYGU-NSHDSACASA-N 0 3 345.317 2.676 20 10 EFCDHN COC(=O)[C@@H]1C[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])CC12CC2 ZINC001233776075 1312989881 /nfs/dbraw/zinc/98/98/81/1312989881.db2.gz JLPLVJJEOIZYGU-NSHDSACASA-N 0 3 345.317 2.676 20 10 EFCDHN CN1CCN(c2ccc(CNc3nc(N)c4ccccc4n3)cc2)CC1 ZINC000882880243 1293367428 /nfs/dbraw/zinc/36/74/28/1293367428.db2.gz JCJLTAZXFDUQKF-UHFFFAOYSA-N 0 3 348.454 2.576 20 10 EFCDHN CCOc1ccc(C[NH2+]Cc2ccc(N3CCNC3=O)cc2)c([O-])c1 ZINC000883281845 1293530660 /nfs/dbraw/zinc/53/06/60/1293530660.db2.gz AHJVPMGPHCYPLJ-UHFFFAOYSA-N 0 3 341.411 2.610 20 10 EFCDHN Cc1cc(Br)cc(CN2CCN(CC3CC3)CC2)c1O ZINC000775655154 1293913614 /nfs/dbraw/zinc/91/36/14/1293913614.db2.gz WDSUYBSPTPKFKI-UHFFFAOYSA-N 0 3 339.277 2.991 20 10 EFCDHN O=C1N(c2ccsc2)CC[C@]12CCN(Cc1ccc(O)c(O)c1)C2 ZINC001203877616 1313038956 /nfs/dbraw/zinc/03/89/56/1313038956.db2.gz UMSNCHFDJNSKBZ-SFHVURJKSA-N 0 3 344.436 2.788 20 10 EFCDHN O=C1N[C@@H](c2ccccc2)C12CCN(Cc1ccc(O)c(O)c1)CC2 ZINC001203879385 1313039985 /nfs/dbraw/zinc/03/99/85/1313039985.db2.gz OYWNLGJBFJDJJR-SFHVURJKSA-N 0 3 338.407 2.551 20 10 EFCDHN CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(Cc3ccc(O)c(O)c3)C[C@@H]21 ZINC001203883648 1313040591 /nfs/dbraw/zinc/04/05/91/1313040591.db2.gz LDXROIWQYJCUAU-SOUVJXGZSA-N 0 3 348.443 2.833 20 10 EFCDHN O=C(NCc1ccccc1)NC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC001202640689 1293964667 /nfs/dbraw/zinc/96/46/67/1293964667.db2.gz CTDCNSSKAUYXDR-UHFFFAOYSA-N 0 3 339.439 2.856 20 10 EFCDHN CCOC(=O)[C@@H]1CCN(Cc2ccc(N(CC)CC)cc2)CCC1=O ZINC001203939019 1313051432 /nfs/dbraw/zinc/05/14/32/1313051432.db2.gz IVPWTPBRAMHVBF-GOSISDBHSA-N 0 3 346.471 2.877 20 10 EFCDHN CCOC(=O)C1=C(O)CCN(Cc2ccc(N(CC)CC)cc2)CC1 ZINC001203939019 1313051435 /nfs/dbraw/zinc/05/14/35/1313051435.db2.gz IVPWTPBRAMHVBF-GOSISDBHSA-N 0 3 346.471 2.877 20 10 EFCDHN CCN(CC)c1ccc(CN2CCC3(CC2)N=C(C)N(C)C3=O)cc1 ZINC001203943417 1313052283 /nfs/dbraw/zinc/05/22/83/1313052283.db2.gz ASCZPUORCAXNMB-UHFFFAOYSA-N 0 3 342.487 2.758 20 10 EFCDHN C[NH+](C)CCOC1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000775688399 1294145466 /nfs/dbraw/zinc/14/54/66/1294145466.db2.gz QRBUBJDYGSGZPE-UHFFFAOYSA-N 0 3 330.831 2.727 20 10 EFCDHN CN(C)c1ccc(CN2CC(N(C)[C@H]3CCOC3)C2)c2ccccc21 ZINC001204241198 1313106811 /nfs/dbraw/zinc/10/68/11/1313106811.db2.gz ZXDOFKXVFWTOBZ-KRWDZBQOSA-N 0 3 339.483 2.811 20 10 EFCDHN [O-]c1cc(O)ccc1C[N@@H+]1CCC[C@@]2(C[C@H](OCC3CC3)CO2)C1 ZINC001204273453 1313113236 /nfs/dbraw/zinc/11/32/36/1313113236.db2.gz PQHRLUKYIQZNHG-PKOBYXMFSA-N 0 3 333.428 2.648 20 10 EFCDHN [O-]c1cc(O)ccc1C[N@H+]1CCC[C@@]2(C[C@H](OCC3CC3)CO2)C1 ZINC001204273453 1313113239 /nfs/dbraw/zinc/11/32/39/1313113239.db2.gz PQHRLUKYIQZNHG-PKOBYXMFSA-N 0 3 333.428 2.648 20 10 EFCDHN CC(C)N(C)Cc1cnc2n1CCN(Cc1ccc(O)cc1O)[C@H]2C ZINC001204273448 1313113249 /nfs/dbraw/zinc/11/32/49/1313113249.db2.gz BTGHHOLABWDANS-AWEZNQCLSA-N 0 3 344.459 2.711 20 10 EFCDHN CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(O)cc3[O-])C[C@H]21 ZINC001204277290 1313114799 /nfs/dbraw/zinc/11/47/99/1313114799.db2.gz XYVPLPLQGQCHMN-SWLSCSKDSA-N 0 3 334.416 2.539 20 10 EFCDHN CC(C)(C)OC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(O)cc3[O-])C[C@H]21 ZINC001204277290 1313114802 /nfs/dbraw/zinc/11/48/02/1313114802.db2.gz XYVPLPLQGQCHMN-SWLSCSKDSA-N 0 3 334.416 2.539 20 10 EFCDHN O=C1c2ccccc2CN1C1CC[NH+](Cc2ccc(O)cc2[O-])CC1 ZINC001204277640 1313115003 /nfs/dbraw/zinc/11/50/03/1313115003.db2.gz HRGYOYUUKDHLRU-UHFFFAOYSA-N 0 3 338.407 2.718 20 10 EFCDHN CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(O)cc1[O-] ZINC001204277316 1313115287 /nfs/dbraw/zinc/11/52/87/1313115287.db2.gz YVCZPLLERMJLJL-YDHLFZDLSA-N 0 3 334.416 2.585 20 10 EFCDHN CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(O)cc1[O-] ZINC001204277316 1313115290 /nfs/dbraw/zinc/11/52/90/1313115290.db2.gz YVCZPLLERMJLJL-YDHLFZDLSA-N 0 3 334.416 2.585 20 10 EFCDHN C[C@H]1[C@H](NC(=O)OC(C)(C)C)CCCN1Cc1ccc(O)cc1O ZINC001204278246 1313115497 /nfs/dbraw/zinc/11/54/97/1313115497.db2.gz ZLEOYCAILGCYAO-SWLSCSKDSA-N 0 3 336.432 2.975 20 10 EFCDHN CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@H+](Cc3ccc(O)cc3[O-])C[C@H]21 ZINC001204282712 1313115833 /nfs/dbraw/zinc/11/58/33/1313115833.db2.gz TZFDVEKIJOOPCH-APHBMKBZSA-N 0 3 348.443 2.833 20 10 EFCDHN CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(O)cc3[O-])C[C@H]21 ZINC001204282712 1313115836 /nfs/dbraw/zinc/11/58/36/1313115836.db2.gz TZFDVEKIJOOPCH-APHBMKBZSA-N 0 3 348.443 2.833 20 10 EFCDHN COc1cc2c(cc1OC)[C@@H](C[N@H+](C)Cc1ccc(O)cc1[O-])C2 ZINC001204279603 1313116161 /nfs/dbraw/zinc/11/61/61/1313116161.db2.gz CFBUOYHBQDDIEZ-CQSZACIVSA-N 0 3 329.396 2.887 20 10 EFCDHN COc1cc2c(cc1OC)[C@@H](C[N@@H+](C)Cc1ccc(O)cc1[O-])C2 ZINC001204279603 1313116165 /nfs/dbraw/zinc/11/61/65/1313116165.db2.gz CFBUOYHBQDDIEZ-CQSZACIVSA-N 0 3 329.396 2.887 20 10 EFCDHN C[C@@H](NCC(=O)NCc1cc(F)cc(F)c1)c1ccc(N(C)C)cc1 ZINC000775836227 1294970210 /nfs/dbraw/zinc/97/02/10/1294970210.db2.gz LLCZTRUGFZTZFX-CYBMUJFWSA-N 0 3 347.409 2.998 20 10 EFCDHN C[C@@H](NCC(=O)NCc1ccccc1F)c1ccc(N(C)C)cc1 ZINC000775834307 1294979316 /nfs/dbraw/zinc/97/93/16/1294979316.db2.gz QTRDBWYETDJHJG-CQSZACIVSA-N 0 3 329.419 2.859 20 10 EFCDHN [O-]c1ccccc1C[NH+]1CCC(NC(=S)NC2CCCC2)CC1 ZINC001198577144 1295119559 /nfs/dbraw/zinc/11/95/59/1295119559.db2.gz GNDGIWSCEVTTMU-UHFFFAOYSA-N 0 3 333.501 2.763 20 10 EFCDHN COc1ccc2ccc([O-])c(C[NH+]3CCC4(C[C@@H](O)CO4)CC3)c2c1 ZINC001234526039 1313145712 /nfs/dbraw/zinc/14/57/12/1313145712.db2.gz PFXJBCZMVVEJRH-OAHLLOKOSA-N 0 3 343.423 2.670 20 10 EFCDHN Cc1cc(F)cc(CN2CC[C@@H]3[C@H]2CCC(=O)N3CC(F)F)c1O ZINC001274099281 1295453951 /nfs/dbraw/zinc/45/39/51/1295453951.db2.gz CERQJDYJQHQWFX-ZIAGYGMSSA-N 0 3 342.361 2.670 20 10 EFCDHN COc1cc(Br)cc(CN2CCN(C)[C@H](C)[C@@H]2C)c1O ZINC000775987824 1295588566 /nfs/dbraw/zinc/58/85/66/1295588566.db2.gz WKWMKZRNTSUNMA-MNOVXSKESA-N 0 3 343.265 2.688 20 10 EFCDHN CCN1CCN(c2ccc(O[C@H]3C[C@@H](C(=O)OC)C3(C)C)cc2)CC1 ZINC001234660306 1313179549 /nfs/dbraw/zinc/17/95/49/1313179549.db2.gz GMMUZDNJCZANCM-ROUUACIJSA-N 0 3 346.471 2.795 20 10 EFCDHN CC(=O)[C@H](C)N1C[C@]2(CC1=O)CCCCN2Cc1c(C)cccc1O ZINC001274301830 1296056350 /nfs/dbraw/zinc/05/63/50/1296056350.db2.gz SPDWVTCBKOHHIZ-MGPUTAFESA-N 0 3 344.455 2.635 20 10 EFCDHN O=c1[nH]c(=O)c2c([nH]1)CC[N@@H+](Cc1cccc(-c3ccccc3)c1[O-])C2 ZINC001234996673 1313218852 /nfs/dbraw/zinc/21/88/52/1313218852.db2.gz LWOWHEXJCGHPFZ-UHFFFAOYSA-N 0 3 349.390 2.819 20 10 EFCDHN O=c1[nH]c(=O)c2c([nH]1)CC[N@H+](Cc1cccc(-c3ccccc3)c1[O-])C2 ZINC001234996673 1313218855 /nfs/dbraw/zinc/21/88/55/1313218855.db2.gz LWOWHEXJCGHPFZ-UHFFFAOYSA-N 0 3 349.390 2.819 20 10 EFCDHN CCCCN1C[C@@]2(CC[N@H+](Cc3ccc(CC)cc3[O-])C2)OCC1=O ZINC001274652663 1296130463 /nfs/dbraw/zinc/13/04/63/1296130463.db2.gz BZVQMSDMQGGCHV-FQEVSTJZSA-N 0 3 346.471 2.558 20 10 EFCDHN CCCCN1C[C@@]2(CC[N@@H+](Cc3ccc(CC)cc3[O-])C2)OCC1=O ZINC001274652663 1296130467 /nfs/dbraw/zinc/13/04/67/1296130467.db2.gz BZVQMSDMQGGCHV-FQEVSTJZSA-N 0 3 346.471 2.558 20 10 EFCDHN C[NH2+]C[C@@H]1CCCN(Cc2c([O-])cc(OC)cc2Br)C1 ZINC001205018667 1313222437 /nfs/dbraw/zinc/22/24/37/1313222437.db2.gz XRWNPYZGRDCSCL-NSHDSACASA-N 0 3 343.265 2.595 20 10 EFCDHN C[NH2+]C[C@H]1CCCN(Cc2c([O-])cc(OC)cc2Br)C1 ZINC001205018666 1313222628 /nfs/dbraw/zinc/22/26/28/1313222628.db2.gz XRWNPYZGRDCSCL-LLVKDONJSA-N 0 3 343.265 2.595 20 10 EFCDHN Cc1ccc(C)n1-c1ccc(O)c(C(=O)N2CC[C@H]3CN(C)C[C@H]32)c1 ZINC001275408698 1296271224 /nfs/dbraw/zinc/27/12/24/1296271224.db2.gz PTNPZWGDAIAIPV-MAUKXSAKSA-N 0 3 339.439 2.576 20 10 EFCDHN Cc1cc([O-])c(CN2CCC[C@@]23CC[NH2+]C3)cc1Br ZINC001235116719 1313245254 /nfs/dbraw/zinc/24/52/54/1313245254.db2.gz YQLUQDWQARTGFF-HNNXBMFYSA-N 0 3 325.250 2.791 20 10 EFCDHN [NH3+]C[C@@H]1CN(Cc2c([O-])cccc2Br)CCC1(F)F ZINC001205771770 1313352953 /nfs/dbraw/zinc/35/29/53/1313352953.db2.gz VRZICBAOEJWAAR-SECBINFHSA-N 0 3 335.192 2.571 20 10 EFCDHN COc1cc([O-])c(CN2C[C@@H](C)CC[C@H]2C[NH3+])cc1Br ZINC001205838091 1313363915 /nfs/dbraw/zinc/36/39/15/1313363915.db2.gz AOYREVXRZAQFJH-JQWIXIFHSA-N 0 3 343.265 2.723 20 10 EFCDHN COc1cc([O-])c(CN2C[C@@H](C)CC[C@@H]2C[NH3+])cc1Br ZINC001205838090 1313364271 /nfs/dbraw/zinc/36/42/71/1313364271.db2.gz AOYREVXRZAQFJH-CMPLNLGQSA-N 0 3 343.265 2.723 20 10 EFCDHN CN(Cc1cc(Br)c(F)cc1[O-])[C@@H]1CCCC[C@H]1[NH3+] ZINC001236220259 1313457298 /nfs/dbraw/zinc/45/72/98/1313457298.db2.gz YPTZNLDTHNPZGI-CHWSQXEVSA-N 0 3 331.229 2.996 20 10 EFCDHN C[N@H+](Cc1cc(Br)c(F)cc1[O-])[C@@H]1CCCC[C@H]1N ZINC001236220259 1313457301 /nfs/dbraw/zinc/45/73/01/1313457301.db2.gz YPTZNLDTHNPZGI-CHWSQXEVSA-N 0 3 331.229 2.996 20 10 EFCDHN C[N@@H+](Cc1cc(Br)c(F)cc1[O-])[C@@H]1CCCC[C@H]1N ZINC001236220259 1313457304 /nfs/dbraw/zinc/45/73/04/1313457304.db2.gz YPTZNLDTHNPZGI-CHWSQXEVSA-N 0 3 331.229 2.996 20 10 EFCDHN Cc1cc(Br)c([O-])c(CN2C[C@H]3CCC[N@@H+](C)[C@@H]3C2)c1 ZINC001236668656 1313506428 /nfs/dbraw/zinc/50/64/28/1313506428.db2.gz DJCZDRKOQYXPCO-IUODEOHRSA-N 0 3 339.277 2.989 20 10 EFCDHN Cc1cc(Br)c([O-])c(CN2C[C@H]3CCC[N@H+](C)[C@@H]3C2)c1 ZINC001236668656 1313506431 /nfs/dbraw/zinc/50/64/31/1313506431.db2.gz DJCZDRKOQYXPCO-IUODEOHRSA-N 0 3 339.277 2.989 20 10 EFCDHN Cc1cc(Br)c([O-])c(C[N@H+]2C[C@H]3CCCN(C)[C@@H]3C2)c1 ZINC001236668656 1313506432 /nfs/dbraw/zinc/50/64/32/1313506432.db2.gz DJCZDRKOQYXPCO-IUODEOHRSA-N 0 3 339.277 2.989 20 10 EFCDHN Cc1cc(Br)c([O-])c(C[N@@H+]2C[C@H]3CCCN(C)[C@@H]3C2)c1 ZINC001236668656 1313506436 /nfs/dbraw/zinc/50/64/36/1313506436.db2.gz DJCZDRKOQYXPCO-IUODEOHRSA-N 0 3 339.277 2.989 20 10 EFCDHN COc1cc(CN2CCC3(COC3)CC2)c(O)cc1Br ZINC001236745091 1313520798 /nfs/dbraw/zinc/52/07/98/1313520798.db2.gz MVLJEYRUTBGIAY-UHFFFAOYSA-N 0 3 342.233 2.776 20 10 EFCDHN COc1cc(CN2CCC[C@](C)(O)CC2)c(O)cc1Br ZINC001236745881 1313520904 /nfs/dbraw/zinc/52/09/04/1313520904.db2.gz TUAMNWZENWCZMJ-HNNXBMFYSA-N 0 3 344.249 2.900 20 10 EFCDHN COc1cc(CN2CCCC[C@](C)(O)C2)c(O)cc1Br ZINC001236749021 1313521661 /nfs/dbraw/zinc/52/16/61/1313521661.db2.gz XVIJSMWXLYQHJU-HNNXBMFYSA-N 0 3 344.249 2.900 20 10 EFCDHN COc1cc(C[N@@H+]2CCCC[C@](C)(O)C2)c([O-])cc1Br ZINC001236749021 1313521664 /nfs/dbraw/zinc/52/16/64/1313521664.db2.gz XVIJSMWXLYQHJU-HNNXBMFYSA-N 0 3 344.249 2.900 20 10 EFCDHN COc1cc(C[N@H+]2CCCC[C@](C)(O)C2)c([O-])cc1Br ZINC001236749021 1313521667 /nfs/dbraw/zinc/52/16/67/1313521667.db2.gz XVIJSMWXLYQHJU-HNNXBMFYSA-N 0 3 344.249 2.900 20 10 EFCDHN CC[N@H+](CCC(=O)OC)Cc1cc(OC)c(Br)cc1[O-] ZINC001236751976 1313522592 /nfs/dbraw/zinc/52/25/92/1313522592.db2.gz QYOMPSFAPSTFPJ-UHFFFAOYSA-N 0 3 346.221 2.548 20 10 EFCDHN CC[N@@H+](CCC(=O)OC)Cc1cc(OC)c(Br)cc1[O-] ZINC001236751976 1313522595 /nfs/dbraw/zinc/52/25/95/1313522595.db2.gz QYOMPSFAPSTFPJ-UHFFFAOYSA-N 0 3 346.221 2.548 20 10 EFCDHN COc1cc(O)c(CN2CCN(C)[C@@H](c3ccccc3)C2)cc1OC ZINC001236757092 1313523463 /nfs/dbraw/zinc/52/34/63/1313523463.db2.gz YUSLUCJEYWFBHS-QGZVFWFLSA-N 0 3 342.439 2.898 20 10 EFCDHN Cc1cc(Br)cc(C[NH2+]C[C@H](O)c2ccco2)c1[O-] ZINC000305759814 1298573584 /nfs/dbraw/zinc/57/35/84/1298573584.db2.gz BVIWEBOGBOYECY-LBPRGKRZSA-N 0 3 326.190 2.879 20 10 EFCDHN CC[N@H+](CCCC(=O)OC)Cc1cc(O)c(Br)cc1[O-] ZINC001236763694 1313524738 /nfs/dbraw/zinc/52/47/38/1313524738.db2.gz BRCZIZWTBMUJEM-UHFFFAOYSA-N 0 3 346.221 2.635 20 10 EFCDHN CC[N@@H+](CCCC(=O)OC)Cc1cc(O)c(Br)cc1[O-] ZINC001236763694 1313524742 /nfs/dbraw/zinc/52/47/42/1313524742.db2.gz BRCZIZWTBMUJEM-UHFFFAOYSA-N 0 3 346.221 2.635 20 10 EFCDHN C[N@H+](CCc1ccncc1)Cc1cc(O)c(Br)cc1[O-] ZINC001236775286 1313526470 /nfs/dbraw/zinc/52/64/70/1313526470.db2.gz MIZGGBOHXFKAQQ-UHFFFAOYSA-N 0 3 337.217 2.930 20 10 EFCDHN C[N@@H+](CCc1ccncc1)Cc1cc(O)c(Br)cc1[O-] ZINC001236775286 1313526473 /nfs/dbraw/zinc/52/64/73/1313526473.db2.gz MIZGGBOHXFKAQQ-UHFFFAOYSA-N 0 3 337.217 2.930 20 10 EFCDHN CCc1ccc(CN2CCN(Cc3ccccc3)[C@H](CO)C2)c(O)c1 ZINC001236782692 1313527663 /nfs/dbraw/zinc/52/76/63/1313527663.db2.gz DCVMYHMERSQRMF-FQEVSTJZSA-N 0 3 340.467 2.633 20 10 EFCDHN CCc1ccc(C[NH+]2CCC(NC(=O)c3ccccn3)CC2)c([O-])c1 ZINC001236789595 1313529344 /nfs/dbraw/zinc/52/93/44/1313529344.db2.gz ZQJBKTLICBLATJ-UHFFFAOYSA-N 0 3 339.439 2.744 20 10 EFCDHN CCc1ccc(CN2CCC[C@@H](NC(=O)c3ccncc3)C2)c(O)c1 ZINC001236787725 1313529431 /nfs/dbraw/zinc/52/94/31/1313529431.db2.gz KMYSWQDFTQQFSE-GOSISDBHSA-N 0 3 339.439 2.744 20 10 EFCDHN CCOC[C@@H]1Cn2nccc2CN(Cc2ccc(CC)cc2O)C1 ZINC001236787772 1313529477 /nfs/dbraw/zinc/52/94/77/1313529477.db2.gz OEJPKYZEVTWEIU-INIZCTEOSA-N 0 3 329.444 2.820 20 10 EFCDHN COC[C@]12CCCO[C@@H]1CC[N@H+](Cc1c(C)cc(OC)cc1[O-])C2 ZINC001236808818 1313533874 /nfs/dbraw/zinc/53/38/74/1313533874.db2.gz CFSOWZIWHORZFC-RTBURBONSA-N 0 3 335.444 2.727 20 10 EFCDHN COC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1c(C)cc(OC)cc1[O-])C2 ZINC001236808818 1313533877 /nfs/dbraw/zinc/53/38/77/1313533877.db2.gz CFSOWZIWHORZFC-RTBURBONSA-N 0 3 335.444 2.727 20 10 EFCDHN COC[C@H]1COCCC12CC[NH+](Cc1c(C)cc(OC)cc1[O-])CC2 ZINC001236812154 1313534907 /nfs/dbraw/zinc/53/49/07/1313534907.db2.gz WUWOQUWGRDKTOE-INIZCTEOSA-N 0 3 349.471 2.974 20 10 EFCDHN COc1cc(C)c(C[N@@H+]2CC[C@H]3[C@@H](CCN3C(=O)C(C)C)C2)c([O-])c1 ZINC001236811695 1313535433 /nfs/dbraw/zinc/53/54/33/1313535433.db2.gz RONFUYKCFSMNNB-YJBOKZPZSA-N 0 3 346.471 2.788 20 10 EFCDHN COc1cc(C)c(C[N@H+]2CC[C@H]3[C@@H](CCN3C(=O)C(C)C)C2)c([O-])c1 ZINC001236811695 1313535436 /nfs/dbraw/zinc/53/54/36/1313535436.db2.gz RONFUYKCFSMNNB-YJBOKZPZSA-N 0 3 346.471 2.788 20 10 EFCDHN COc1cc(C)c(C[N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)c([O-])c1 ZINC001236814045 1313535795 /nfs/dbraw/zinc/53/57/95/1313535795.db2.gz OICYKURZWCTDJQ-OAHLLOKOSA-N 0 3 332.444 2.544 20 10 EFCDHN COc1cc(C)c(C[N@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)c([O-])c1 ZINC001236814045 1313535800 /nfs/dbraw/zinc/53/58/00/1313535800.db2.gz OICYKURZWCTDJQ-OAHLLOKOSA-N 0 3 332.444 2.544 20 10 EFCDHN COc1cc(C)c(C[N@@H+]2CC[C@@]3(C[C@@H](OCC4CC4)CO3)C2)c([O-])c1 ZINC001236814531 1313536092 /nfs/dbraw/zinc/53/60/92/1313536092.db2.gz UBJVEUREJZZVEC-YLJYHZDGSA-N 0 3 347.455 2.869 20 10 EFCDHN COc1cc(C)c(C[N@H+]2CC[C@@]3(C[C@@H](OCC4CC4)CO3)C2)c([O-])c1 ZINC001236814531 1313536096 /nfs/dbraw/zinc/53/60/96/1313536096.db2.gz UBJVEUREJZZVEC-YLJYHZDGSA-N 0 3 347.455 2.869 20 10 EFCDHN COC(=O)[C@H]1COCCC12C[NH+](Cc1cc3ccccc3cc1[O-])C2 ZINC001236831206 1313538035 /nfs/dbraw/zinc/53/80/35/1313538035.db2.gz GASZGODEZDEOGK-QGZVFWFLSA-N 0 3 341.407 2.557 20 10 EFCDHN O=C1[C@H]2C[N@H+](Cc3cc4ccccc4cc3[O-])C[C@H]2CN1CC1CC1 ZINC001236827748 1313538153 /nfs/dbraw/zinc/53/81/53/1313538153.db2.gz AIZPEQADLLPWKR-OALUTQOASA-N 0 3 336.435 2.846 20 10 EFCDHN O=C1[C@H]2C[N@@H+](Cc3cc4ccccc4cc3[O-])C[C@H]2CN1CC1CC1 ZINC001236827748 1313538154 /nfs/dbraw/zinc/53/81/54/1313538154.db2.gz AIZPEQADLLPWKR-OALUTQOASA-N 0 3 336.435 2.846 20 10 EFCDHN C[C@H]1CC[C@@H](CO)CN1Cc1ccc(N2CCOCC2)cc1Cl ZINC001236920911 1313553374 /nfs/dbraw/zinc/55/33/74/1313553374.db2.gz APOHRSLVMJJLGX-LSDHHAIUSA-N 0 3 338.879 2.769 20 10 EFCDHN Clc1cc(N2CCOCC2)ccc1CN1CC[C@]2(CCOC2)C1 ZINC001236920945 1313553436 /nfs/dbraw/zinc/55/34/36/1313553436.db2.gz AVPODZGYRIPEAC-SFHVURJKSA-N 0 3 336.863 2.789 20 10 EFCDHN Clc1cc(N2CCOCC2)ccc1CN1CCC2(CCO2)CC1 ZINC001236920789 1313553449 /nfs/dbraw/zinc/55/34/49/1313553449.db2.gz YEVGXEKAFGCVTD-UHFFFAOYSA-N 0 3 336.863 2.932 20 10 EFCDHN CN(Cc1ccc(N2CCOCC2)cc1Cl)[C@H]1CC[C@H](O)CC1 ZINC001236925947 1313554575 /nfs/dbraw/zinc/55/45/75/1313554575.db2.gz ZEWKHBRZPJFTPF-JCNLHEQBSA-N 0 3 338.879 2.912 20 10 EFCDHN C[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2Cl)C[C@H](C)N1C ZINC001236926976 1313554678 /nfs/dbraw/zinc/55/46/78/1313554678.db2.gz MHCANJBOHFLTTH-GASCZTMLSA-N 0 3 337.895 2.701 20 10 EFCDHN C[C@@H]1CCCN(Cc2ccc(N3CCOCC3)cc2Cl)[C@H]1CO ZINC001236925964 1313554748 /nfs/dbraw/zinc/55/47/48/1313554748.db2.gz ZRDIMMCAWFEHFO-KDOFPFPSSA-N 0 3 338.879 2.769 20 10 EFCDHN CCN(Cc1cccnc1)Cc1ccc(N2CCN(C)CC2)cc1F ZINC001236934123 1313556894 /nfs/dbraw/zinc/55/68/94/1313556894.db2.gz CZBDSJBGTVLFSD-UHFFFAOYSA-N 0 3 342.462 2.995 20 10 EFCDHN Oc1c(CN2CCNC[C@H]2C(F)(F)F)cccc1OC(F)(F)F ZINC001236982930 1313565826 /nfs/dbraw/zinc/56/58/26/1313565826.db2.gz SXQFTBBYEAIWBZ-JTQLQIEISA-N 0 3 344.255 2.627 20 10 EFCDHN Oc1cccc(OC(F)(F)F)c1CN1CCNC[C@@H]1C(F)(F)F ZINC001236981170 1313566060 /nfs/dbraw/zinc/56/60/60/1313566060.db2.gz KYSOXOJYRUNUTO-LLVKDONJSA-N 0 3 344.255 2.627 20 10 EFCDHN CCNC(=O)CO[C@@H]1CCC[N@H+](Cc2ccc(C(C)C)cc2[O-])C1 ZINC001237049423 1313576170 /nfs/dbraw/zinc/57/61/70/1313576170.db2.gz OSAVZJXZUDVEBX-QGZVFWFLSA-N 0 3 334.460 2.633 20 10 EFCDHN CCNC(=O)CO[C@@H]1CCC[N@@H+](Cc2ccc(C(C)C)cc2[O-])C1 ZINC001237049423 1313576174 /nfs/dbraw/zinc/57/61/74/1313576174.db2.gz OSAVZJXZUDVEBX-QGZVFWFLSA-N 0 3 334.460 2.633 20 10 EFCDHN CCOc1ccc(CN2CCCN(C(=O)C3CCC3)CC2)c(O)c1 ZINC001237041116 1313573040 /nfs/dbraw/zinc/57/30/40/1313573040.db2.gz FFXJQGDKIHEYPN-UHFFFAOYSA-N 0 3 332.444 2.625 20 10 EFCDHN CCOc1ccc(CN2CCN(CCc3ccncc3)CC2)c(O)c1 ZINC001237041046 1313573691 /nfs/dbraw/zinc/57/36/91/1313573691.db2.gz BHFRMCCYTHSYLC-UHFFFAOYSA-N 0 3 341.455 2.546 20 10 EFCDHN CCOc1ccc(C[N@@H+]2CC[C@@]3(C2)CCCCN3C(C)=O)c([O-])c1 ZINC001237041413 1313574286 /nfs/dbraw/zinc/57/42/86/1313574286.db2.gz IKBRCQOKDHDUJX-LJQANCHMSA-N 0 3 332.444 2.768 20 10 EFCDHN CCOc1ccc(C[N@H+]2CC[C@@]3(C2)CCCCN3C(C)=O)c([O-])c1 ZINC001237041413 1313574289 /nfs/dbraw/zinc/57/42/89/1313574289.db2.gz IKBRCQOKDHDUJX-LJQANCHMSA-N 0 3 332.444 2.768 20 10 EFCDHN CCOc1ccc(C[N@@H+]2CC[C@]3(C[C@H](OCC4CC4)CO3)C2)c([O-])c1 ZINC001237042480 1313574495 /nfs/dbraw/zinc/57/44/95/1313574495.db2.gz WJQHYIVPNFLLPQ-ICSRJNTNSA-N 0 3 347.455 2.951 20 10 EFCDHN CCOc1ccc(C[N@H+]2CC[C@]3(C[C@H](OCC4CC4)CO3)C2)c([O-])c1 ZINC001237042480 1313574498 /nfs/dbraw/zinc/57/44/98/1313574498.db2.gz WJQHYIVPNFLLPQ-ICSRJNTNSA-N 0 3 347.455 2.951 20 10 EFCDHN CCOc1ccc(C[NH+]2CCC(N(C)C(=O)C(C)C)CC2)c([O-])c1 ZINC001237046319 1313575233 /nfs/dbraw/zinc/57/52/33/1313575233.db2.gz AJNCLYRZQHYIKE-UHFFFAOYSA-N 0 3 334.460 2.870 20 10 EFCDHN CCOc1ccc(C[NH+]2CCC(Oc3ncc(F)cn3)CC2)c([O-])c1 ZINC001237046356 1313575529 /nfs/dbraw/zinc/57/55/29/1313575529.db2.gz BGSNTVRGABJFRT-UHFFFAOYSA-N 0 3 347.390 2.763 20 10 EFCDHN CCOc1ccc(CN2CCC(Oc3ncc(F)cn3)CC2)c(O)c1 ZINC001237046356 1313575532 /nfs/dbraw/zinc/57/55/32/1313575532.db2.gz BGSNTVRGABJFRT-UHFFFAOYSA-N 0 3 347.390 2.763 20 10 EFCDHN CCOc1ccc(C[N@@H+]2C[C@@H]3[C@H](NC(=O)OC(C)(C)C)[C@@H]3C2)c([O-])c1 ZINC001237049009 1313575742 /nfs/dbraw/zinc/57/57/42/1313575742.db2.gz BZMUKALCWNJHAC-SCAQPMJSSA-N 0 3 348.443 2.746 20 10 EFCDHN CCOc1ccc(C[N@H+]2C[C@@H]3[C@H](NC(=O)OC(C)(C)C)[C@@H]3C2)c([O-])c1 ZINC001237049009 1313575746 /nfs/dbraw/zinc/57/57/46/1313575746.db2.gz BZMUKALCWNJHAC-SCAQPMJSSA-N 0 3 348.443 2.746 20 10 EFCDHN COc1ncnc2c1CC[N@H+](Cc1ccc(C(C)C)cc1[O-])CC2 ZINC001237049565 1313575852 /nfs/dbraw/zinc/57/58/52/1313575852.db2.gz XILLLWLSLPWQSO-UHFFFAOYSA-N 0 3 327.428 2.915 20 10 EFCDHN COc1ncnc2c1CC[N@@H+](Cc1ccc(C(C)C)cc1[O-])CC2 ZINC001237049565 1313575855 /nfs/dbraw/zinc/57/58/55/1313575855.db2.gz XILLLWLSLPWQSO-UHFFFAOYSA-N 0 3 327.428 2.915 20 10 EFCDHN CCOc1ccc(C[N@@H+]2CCC[C@H](Oc3ncncc3C)C2)c([O-])c1 ZINC001237048561 1313576051 /nfs/dbraw/zinc/57/60/51/1313576051.db2.gz UABFUOKTERLVBV-KRWDZBQOSA-N 0 3 343.427 2.933 20 10 EFCDHN CCOc1ccc(C[N@H+]2CCC[C@H](Oc3ncncc3C)C2)c([O-])c1 ZINC001237048561 1313576053 /nfs/dbraw/zinc/57/60/53/1313576053.db2.gz UABFUOKTERLVBV-KRWDZBQOSA-N 0 3 343.427 2.933 20 10 EFCDHN CC(C)c1ccc(C[NH+]2CCC3(CC2)CC(=O)NC(=O)C3)c([O-])c1 ZINC001237049724 1313576466 /nfs/dbraw/zinc/57/64/66/1313576466.db2.gz SAHVMRQZPNKCSI-UHFFFAOYSA-N 0 3 330.428 2.534 20 10 EFCDHN CCOc1ccc(CN2CC[C@@H](C)[C@](O)(C(F)(F)F)C2)c(O)c1 ZINC001237050906 1313576770 /nfs/dbraw/zinc/57/67/70/1313576770.db2.gz YMWUMKVVOGSQIW-ABAIWWIYSA-N 0 3 333.350 2.926 20 10 EFCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@@H+]1CC[C@H]2OCC[C@H]2C1 ZINC001237057349 1313578048 /nfs/dbraw/zinc/57/80/48/1313578048.db2.gz BNBYWWQSMGXMPD-SWLSCSKDSA-N 0 3 331.334 2.944 20 10 EFCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@H+]1CC[C@H]2OCC[C@H]2C1 ZINC001237057349 1313578052 /nfs/dbraw/zinc/57/80/52/1313578052.db2.gz BNBYWWQSMGXMPD-SWLSCSKDSA-N 0 3 331.334 2.944 20 10 EFCDHN CC(C)NC(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@@H+]2Cc2ccc(C(C)C)cc2[O-])O1 ZINC001237053870 1313578062 /nfs/dbraw/zinc/57/80/62/1313578062.db2.gz OWCKZCAJGSFXJD-QRQLOZEOSA-N 0 3 346.471 2.772 20 10 EFCDHN CC(C)NC(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@H+]2Cc2ccc(C(C)C)cc2[O-])O1 ZINC001237053870 1313578066 /nfs/dbraw/zinc/57/80/66/1313578066.db2.gz OWCKZCAJGSFXJD-QRQLOZEOSA-N 0 3 346.471 2.772 20 10 EFCDHN CCCN1CCN(Cc2ccc(OCC(F)(F)F)cc2O)CC1 ZINC001237058243 1313578858 /nfs/dbraw/zinc/57/88/58/1313578858.db2.gz XECSTDDHNLRYAE-UHFFFAOYSA-N 0 3 332.366 2.861 20 10 EFCDHN O=S1(=O)CCN(c2ccc(CN3CC[C@@H]4CCC[C@H]4C3)cc2)CC1 ZINC001237204604 1313605399 /nfs/dbraw/zinc/60/53/99/1313605399.db2.gz COWJXLYMKNOADQ-ROUUACIJSA-N 0 3 348.512 2.543 20 10 EFCDHN C[C@@H]1[C@@H](C)CCCN1Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC001237208060 1313605954 /nfs/dbraw/zinc/60/59/54/1313605954.db2.gz XWIMQVSMDYQOKL-JKSUJKDBSA-N 0 3 336.501 2.542 20 10 EFCDHN O=S1(=O)CCN(c2ccc(CN3CCC34CCCCC4)cc2)CC1 ZINC001237205761 1313606002 /nfs/dbraw/zinc/60/60/02/1313606002.db2.gz ILUDVXDGCIUJDV-UHFFFAOYSA-N 0 3 348.512 2.830 20 10 EFCDHN C[C@H]1CCN(Cc2ccc(N3CCS(=O)(=O)CC3)cc2)[C@@H](C)C1 ZINC001237211318 1313606952 /nfs/dbraw/zinc/60/69/52/1313606952.db2.gz DZHTZBKKRKJANW-HOTGVXAUSA-N 0 3 336.501 2.542 20 10 EFCDHN C[C@@H]1CCN(Cc2ccc(N3CCS(=O)(=O)CC3)cc2)[C@H](C)C1 ZINC001237211321 1313607295 /nfs/dbraw/zinc/60/72/95/1313607295.db2.gz DZHTZBKKRKJANW-HZPDHXFCSA-N 0 3 336.501 2.542 20 10 EFCDHN CC(C)(C)OC(=O)[C@@](C)(O)CNCc1ccc(N2CCCCC2)cc1 ZINC000776520503 1299346513 /nfs/dbraw/zinc/34/65/13/1299346513.db2.gz NBCMWQNHSCXBBG-FQEVSTJZSA-N 0 3 348.487 2.859 20 10 EFCDHN O=C(NCc1ccc(N2CCCC2)cc1)c1cc2c(s1)CCNC2 ZINC000852785182 1299885749 /nfs/dbraw/zinc/88/57/49/1299885749.db2.gz BQPDZBKPDGXJGQ-UHFFFAOYSA-N 0 3 341.480 2.924 20 10 EFCDHN Cc1cccc([O-])c1C[N@H+]1C[C@H]2CN(C(=O)c3ccsc3)C[C@H]2C1 ZINC001237488994 1313654835 /nfs/dbraw/zinc/65/48/35/1313654835.db2.gz TXAWPDDQRWIBPN-IYBDPMFKSA-N 0 3 342.464 2.966 20 10 EFCDHN Cc1cccc([O-])c1C[N@@H+]1C[C@H]2CN(C(=O)c3ccsc3)C[C@H]2C1 ZINC001237488994 1313654837 /nfs/dbraw/zinc/65/48/37/1313654837.db2.gz TXAWPDDQRWIBPN-IYBDPMFKSA-N 0 3 342.464 2.966 20 10 EFCDHN CN(Cc1ccc(N2CCOCC2)cc1)Cc1ccn2nccc2c1 ZINC001237541599 1313664230 /nfs/dbraw/zinc/66/42/30/1313664230.db2.gz YZSFJFUBJDYTJT-UHFFFAOYSA-N 0 3 336.439 2.803 20 10 EFCDHN Cn1cc(CCC[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)cn1 ZINC000111233045 1300079343 /nfs/dbraw/zinc/07/93/43/1300079343.db2.gz ZZMFFHDUYMPBSN-SFHVURJKSA-N 0 3 329.444 2.740 20 10 EFCDHN Cn1cc(CCC[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)cn1 ZINC000111233045 1300079358 /nfs/dbraw/zinc/07/93/58/1300079358.db2.gz ZZMFFHDUYMPBSN-SFHVURJKSA-N 0 3 329.444 2.740 20 10 EFCDHN CN(c1ccccc1)[C@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000853585829 1300179658 /nfs/dbraw/zinc/17/96/58/1300179658.db2.gz UQFNPPQEJNECFU-LPHOPBHVSA-N 0 3 340.423 2.529 20 10 EFCDHN CN(c1ccccc1)[C@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000853585829 1300179661 /nfs/dbraw/zinc/17/96/61/1300179661.db2.gz UQFNPPQEJNECFU-LPHOPBHVSA-N 0 3 340.423 2.529 20 10 EFCDHN C[C@@]1(CO)C[N@H+](Cc2cc(-c3ccc(F)cc3)ccc2[O-])CC[C@@H]1O ZINC001237640690 1313682721 /nfs/dbraw/zinc/68/27/21/1313682721.db2.gz DYUIQRWWSSPFEJ-PMACEKPBSA-N 0 3 345.414 2.764 20 10 EFCDHN C[C@@]1(CO)C[N@@H+](Cc2cc(-c3ccc(F)cc3)ccc2[O-])CC[C@@H]1O ZINC001237640690 1313682724 /nfs/dbraw/zinc/68/27/24/1313682724.db2.gz DYUIQRWWSSPFEJ-PMACEKPBSA-N 0 3 345.414 2.764 20 10 EFCDHN CC(=O)N[C@@H]1CC[N@H+](Cc2cc(-c3ccc(F)cc3)ccc2[O-])C1 ZINC001237645229 1313683823 /nfs/dbraw/zinc/68/38/23/1313683823.db2.gz AGJYUZSAWGUAPZ-GOSISDBHSA-N 0 3 328.387 2.909 20 10 EFCDHN CC(=O)N[C@@H]1CC[N@@H+](Cc2cc(-c3ccc(F)cc3)ccc2[O-])C1 ZINC001237645229 1313683827 /nfs/dbraw/zinc/68/38/27/1313683827.db2.gz AGJYUZSAWGUAPZ-GOSISDBHSA-N 0 3 328.387 2.909 20 10 EFCDHN Cc1cc([O-])c(CN2CC[N@@H+]3CCC[C@H]3C2)cc1Br ZINC001237679591 1313689615 /nfs/dbraw/zinc/68/96/15/1313689615.db2.gz RPFYHRQRWGLHBE-ZDUSSCGKSA-N 0 3 325.250 2.743 20 10 EFCDHN Cc1cc([O-])c(CN2CC[N@H+]3CCC[C@H]3C2)cc1Br ZINC001237679591 1313689616 /nfs/dbraw/zinc/68/96/16/1313689616.db2.gz RPFYHRQRWGLHBE-ZDUSSCGKSA-N 0 3 325.250 2.743 20 10 EFCDHN Cc1cc(Cl)cc(C[NH+]2CCC3(CC(N(C)C)=NO3)CC2)c1[O-] ZINC001237685558 1313691859 /nfs/dbraw/zinc/69/18/59/1313691859.db2.gz NJMVUDVLXWTGDI-UHFFFAOYSA-N 0 3 337.851 2.984 20 10 EFCDHN CCN1CCN(Cc2cc(Br)c(C)cc2O)C[C@H]1C ZINC001237684427 1313691928 /nfs/dbraw/zinc/69/19/28/1313691928.db2.gz KKPFKIKICAZKTE-GFCCVEGCSA-N 0 3 327.266 2.989 20 10 EFCDHN Cc1cc(Cl)cc(CN2CC[C@H](Oc3ncc(F)cn3)C2)c1O ZINC001237687478 1313692692 /nfs/dbraw/zinc/69/26/92/1313692692.db2.gz DHPVSWFYUKQYBM-AWEZNQCLSA-N 0 3 337.782 2.936 20 10 EFCDHN COCCCCN1CCN(Cc2cc(Cl)cc(C)c2O)CC1 ZINC001237688708 1313692959 /nfs/dbraw/zinc/69/29/59/1313692959.db2.gz IWDNQHUVCBKAAM-UHFFFAOYSA-N 0 3 326.868 2.898 20 10 EFCDHN COCCN(Cc1cc(F)cc(Cl)c1[O-])C1CC[NH+](C)CC1 ZINC001237814946 1313712211 /nfs/dbraw/zinc/71/22/11/1313712211.db2.gz TZVNUEOCGTVBGO-UHFFFAOYSA-N 0 3 330.831 2.727 20 10 EFCDHN CC(C)N1CCC[C@@H](N(Cc2ccccc2O)C[C@H]2CCCO2)C1=O ZINC000245705689 1300734119 /nfs/dbraw/zinc/73/41/19/1300734119.db2.gz YOGBXMGGHZIIMD-QZTJIDSGSA-N 0 3 346.471 2.773 20 10 EFCDHN COc1ccc(O)c([C@H](C)NCC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)c1 ZINC000246013181 1300842263 /nfs/dbraw/zinc/84/22/63/1300842263.db2.gz INLORWVWLHROIH-AYMQEEERSA-N 0 3 334.460 2.992 20 10 EFCDHN C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)c2cc([O-])cs2)C1 ZINC000855734167 1301085858 /nfs/dbraw/zinc/08/58/58/1301085858.db2.gz WVTXBNGOLMWXSH-HNNXBMFYSA-N 0 3 330.453 2.843 20 10 EFCDHN C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)c2cc([O-])cs2)C1 ZINC000855734167 1301085870 /nfs/dbraw/zinc/08/58/70/1301085870.db2.gz WVTXBNGOLMWXSH-HNNXBMFYSA-N 0 3 330.453 2.843 20 10 EFCDHN CN(CCc1ccccc1)[C@H]1CCN(C(=O)C2=CC(=O)CS2)C1 ZINC000855734167 1301085885 /nfs/dbraw/zinc/08/58/85/1301085885.db2.gz WVTXBNGOLMWXSH-HNNXBMFYSA-N 0 3 330.453 2.843 20 10 EFCDHN Cc1cc(F)cc(C[NH+]2CCC3(CCCN3C(=O)N(C)C)CC2)c1[O-] ZINC001238062722 1313753735 /nfs/dbraw/zinc/75/37/35/1313753735.db2.gz WSCABQVUYBYLKN-UHFFFAOYSA-N 0 3 349.450 2.952 20 10 EFCDHN Cc1cc(F)cc(C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c1[O-] ZINC001238057187 1313752854 /nfs/dbraw/zinc/75/28/54/1313752854.db2.gz JIROXTALOQXISA-UONOGXRCSA-N 0 3 328.387 2.621 20 10 EFCDHN Cc1cc(F)cc(C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c1[O-] ZINC001238057187 1313752856 /nfs/dbraw/zinc/75/28/56/1313752856.db2.gz JIROXTALOQXISA-UONOGXRCSA-N 0 3 328.387 2.621 20 10 EFCDHN Cc1cc(F)cc(C[N@@H+]2C[C@H]3CN(c4ccccc4)C(=O)[C@H]3C2)c1[O-] ZINC001238062792 1313753291 /nfs/dbraw/zinc/75/32/91/1313753291.db2.gz WZFRSRTZFFZYEX-YJBOKZPZSA-N 0 3 340.398 2.935 20 10 EFCDHN Cc1cc(F)cc(C[N@H+]2C[C@H]3CN(c4ccccc4)C(=O)[C@H]3C2)c1[O-] ZINC001238062792 1313753293 /nfs/dbraw/zinc/75/32/93/1313753293.db2.gz WZFRSRTZFFZYEX-YJBOKZPZSA-N 0 3 340.398 2.935 20 10 EFCDHN CCO[C@H]1CC[N@H+](Cc2cc(F)cc(C)c2[O-])[C@H]1Cc1cnn(C)c1 ZINC001238061515 1313753717 /nfs/dbraw/zinc/75/37/17/1313753717.db2.gz NZERNHOXYIOTFJ-ROUUACIJSA-N 0 3 347.434 2.795 20 10 EFCDHN CCO[C@H]1CC[N@@H+](Cc2cc(F)cc(C)c2[O-])[C@H]1Cc1cnn(C)c1 ZINC001238061515 1313753718 /nfs/dbraw/zinc/75/37/18/1313753718.db2.gz NZERNHOXYIOTFJ-ROUUACIJSA-N 0 3 347.434 2.795 20 10 EFCDHN Cc1cc(OC2CCN(Cc3cc(F)cc(C)c3O)CC2)ncn1 ZINC001238064848 1313754084 /nfs/dbraw/zinc/75/40/84/1313754084.db2.gz CYPWINXTZGLZAB-UHFFFAOYSA-N 0 3 331.391 2.982 20 10 EFCDHN COc1cnc(OC2CCN(Cc3cc(F)cc(C)c3O)CC2)nc1 ZINC001238067325 1313755048 /nfs/dbraw/zinc/75/50/48/1313755048.db2.gz RXVLUZBKUMYKSP-UHFFFAOYSA-N 0 3 347.390 2.682 20 10 EFCDHN Cc1cc(O[C@@H]2CCCN(Cc3cc(F)cc(C)c3O)C2)ncn1 ZINC001238066820 1313755277 /nfs/dbraw/zinc/75/52/77/1313755277.db2.gz MJBDZQOHACNALI-MRXNPFEDSA-N 0 3 331.391 2.982 20 10 EFCDHN C[N@@H+](Cc1ccccc1[O-])C[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 ZINC001207780811 1313772613 /nfs/dbraw/zinc/77/26/13/1313772613.db2.gz JTGYDMKRWDXGQN-PHZGNYQRSA-N 0 3 332.444 2.937 20 10 EFCDHN C[N@H+](Cc1ccccc1[O-])C[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 ZINC001207780811 1313772616 /nfs/dbraw/zinc/77/26/16/1313772616.db2.gz JTGYDMKRWDXGQN-PHZGNYQRSA-N 0 3 332.444 2.937 20 10 EFCDHN C[C@H]1CN(Cc2cc3c(cc2O)OCO3)CC[C@H]1C(=O)OC(C)(C)C ZINC000862485334 1302399096 /nfs/dbraw/zinc/39/90/96/1302399096.db2.gz KYMOXAARLDGVMR-GXTWGEPZSA-N 0 3 349.427 2.921 20 10 EFCDHN C[C@@H]1CN(Cc2cc3c(cc2O)OCO3)CC[C@H]1C(=O)OC(C)(C)C ZINC000862485337 1302399252 /nfs/dbraw/zinc/39/92/52/1302399252.db2.gz KYMOXAARLDGVMR-TZMCWYRMSA-N 0 3 349.427 2.921 20 10 EFCDHN C[N@H+](CCC(=O)N1CCOc2ccccc21)Cc1ccccc1[O-] ZINC000794561505 1302730995 /nfs/dbraw/zinc/73/09/95/1302730995.db2.gz UHDZGGKPHWKCGT-UHFFFAOYSA-N 0 3 326.396 2.640 20 10 EFCDHN C[N@@H+](CCC(=O)N1CCOc2ccccc21)Cc1ccccc1[O-] ZINC000794561505 1302731003 /nfs/dbraw/zinc/73/10/03/1302731003.db2.gz UHDZGGKPHWKCGT-UHFFFAOYSA-N 0 3 326.396 2.640 20 10 EFCDHN Cn1cc2c(n1)CCC[C@H]2NCc1ccc(N2CCOCC2)c(F)c1 ZINC000794798914 1303079103 /nfs/dbraw/zinc/07/91/03/1303079103.db2.gz ZJGDPYMJDKCGDN-QGZVFWFLSA-N 0 3 344.434 2.563 20 10 EFCDHN CC[C@H]([NH2+][C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O)c1ccc(C)cc1[O-] ZINC000794812546 1303171810 /nfs/dbraw/zinc/17/18/10/1303171810.db2.gz MJDVRERKXRWDJL-COXVUDFISA-N 0 3 342.443 2.669 20 10 EFCDHN CC(C)(C)CNC(=O)C(C)(C)NCc1ccc(N2CCOCC2)cc1 ZINC000121102722 1303670054 /nfs/dbraw/zinc/67/00/54/1303670054.db2.gz LWAYWQCJLIEVOA-UHFFFAOYSA-N 0 3 347.503 2.554 20 10 EFCDHN CCc1nnc(NC(=O)[C@H](C)[C@@H](C)[NH2+]Cc2ccccc2[O-])s1 ZINC000796527782 1305982225 /nfs/dbraw/zinc/98/22/25/1305982225.db2.gz ASTQJRJBSIFJGR-GHMZBOCLSA-N 0 3 334.445 2.559 20 10 EFCDHN Cc1ccc(C)n1-c1ccc(CN2CC[C@H](O)[C@@](C)(CO)C2)cc1 ZINC001209516391 1314178825 /nfs/dbraw/zinc/17/88/25/1314178825.db2.gz FKSJIXZMRRXNGG-VQTJNVASSA-N 0 3 328.456 2.659 20 10 EFCDHN CN(C)c1ccc(CN(Cc2ccco2)C(=O)Cc2c[nH]cn2)cc1 ZINC000900129137 1307694396 /nfs/dbraw/zinc/69/43/96/1307694396.db2.gz HAGWTJDIUDBFSI-UHFFFAOYSA-N 0 3 338.411 2.840 20 10 EFCDHN C[C@H](F)CCN1CCC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001009672612 1308604292 /nfs/dbraw/zinc/60/42/92/1308604292.db2.gz MIPLOQZOQNIZBU-SWLSCSKDSA-N 0 3 349.410 2.791 20 10 EFCDHN C[C@@H](F)CCN1CCC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001009672610 1308604324 /nfs/dbraw/zinc/60/43/24/1308604324.db2.gz MIPLOQZOQNIZBU-IUODEOHRSA-N 0 3 349.410 2.791 20 10 EFCDHN CCCCN(Cc1ccccc1O)CC1(CS(C)(=O)=O)CC1 ZINC000801595632 1310571847 /nfs/dbraw/zinc/57/18/47/1310571847.db2.gz GRIDRKSVNCHUME-UHFFFAOYSA-N 0 3 325.474 2.819 20 10 EFCDHN CCCCN(CC(=O)NC(=O)NC(C)(C)C)Cc1ccccc1O ZINC000801594883 1310571428 /nfs/dbraw/zinc/57/14/28/1310571428.db2.gz BSRSFJGTAZRYCN-UHFFFAOYSA-N 0 3 335.448 2.619 20 10 EFCDHN [O-]c1ccc(Br)cc1CN1CCC[C@]12CCC[NH2+]C2 ZINC001222238055 1311103463 /nfs/dbraw/zinc/10/34/63/1311103463.db2.gz ZDGCVVYJSGTWHI-HNNXBMFYSA-N 0 3 325.250 2.873 20 10 EFCDHN [NH3+]CC1(F)CCN(Cc2cc(Br)c(F)cc2[O-])CC1 ZINC001222542841 1311149695 /nfs/dbraw/zinc/14/96/95/1311149695.db2.gz LACHRFYVXSTNOY-UHFFFAOYSA-N 0 3 335.192 2.557 20 10 EFCDHN COc1ccc(N2CC[C@H]3CN(Cc4cccc(=O)[nH]4)C[C@H]32)cc1 ZINC001276928254 1311314360 /nfs/dbraw/zinc/31/43/60/1311314360.db2.gz YMLHYPKMZWEOHA-KBXCAEBGSA-N 0 3 325.412 2.507 20 10 EFCDHN COc1ccc(N2CCC3(CN(CCn4ccnc4)C3)CC2)cc1F ZINC001277009081 1311455506 /nfs/dbraw/zinc/45/55/06/1311455506.db2.gz FJRDLFGAGNZNFS-UHFFFAOYSA-N 0 3 344.434 2.633 20 10 EFCDHN COc1ccc(N2CC[C@H]3CN(Cc4cc(C)nn4C)C[C@H]32)c(C)c1 ZINC001277022289 1311486170 /nfs/dbraw/zinc/48/61/70/1311486170.db2.gz LNSGQDMLAZAYNC-OXJNMPFZSA-N 0 3 340.471 2.756 20 10 EFCDHN Nc1ccc(N[C@H](c2ccccc2O)[C@H]([NH3+])c2ccccc2[O-])nc1 ZINC001160616085 1311746700 /nfs/dbraw/zinc/74/67/00/1311746700.db2.gz CJRUYECCNIEPEQ-RTBURBONSA-N 0 3 336.395 2.928 20 10 EFCDHN Nc1cccc(N[C@H](c2ccccc2O)[C@H]([NH3+])c2ccccc2[O-])n1 ZINC001160616568 1311747110 /nfs/dbraw/zinc/74/71/10/1311747110.db2.gz NKIUIHBRVQJWOA-RTBURBONSA-N 0 3 336.395 2.928 20 10 EFCDHN CCOC(=O)C(=Cc1cc(C)c(C)nc1-n1cnc(CN)c1)N=[N+]=[N-] ZINC001162297181 1312083403 /nfs/dbraw/zinc/08/34/03/1312083403.db2.gz VQOCHPYVJRAMCI-NSIKDUERSA-N 0 3 341.375 2.557 20 10 EFCDHN O=C(NC1CCC(F)CC1)[C@@]12C[C@@H]1C[N@@H+](Cc1ccccc1[O-])C2 ZINC001277441204 1312175761 /nfs/dbraw/zinc/17/57/61/1312175761.db2.gz IZKRKPJSRHLIMS-GKSFYBEXSA-N 0 3 332.419 2.611 20 10 EFCDHN O=C(NC1CCC(F)CC1)[C@@]12C[C@@H]1C[N@H+](Cc1ccccc1[O-])C2 ZINC001277441204 1312175763 /nfs/dbraw/zinc/17/57/63/1312175763.db2.gz IZKRKPJSRHLIMS-GKSFYBEXSA-N 0 3 332.419 2.611 20 10 EFCDHN O=C([C@H]1CCC[C@]12CC[N@@H+](Cc1ccccc1[O-])C2)N1CC=CC1 ZINC001277446339 1312191714 /nfs/dbraw/zinc/19/17/14/1312191714.db2.gz OECWULUONYTHNN-YLJYHZDGSA-N 0 3 326.440 2.783 20 10 EFCDHN O=C([C@H]1CCC[C@]12CC[N@H+](Cc1ccccc1[O-])C2)N1CC=CC1 ZINC001277446339 1312191717 /nfs/dbraw/zinc/19/17/17/1312191717.db2.gz OECWULUONYTHNN-YLJYHZDGSA-N 0 3 326.440 2.783 20 10 EFCDHN CCN(C(=O)[C@@]12C[C@@H]1CCN2Cc1cccc(OC)c1O)C(C)C ZINC001277452305 1312215830 /nfs/dbraw/zinc/21/58/30/1312215830.db2.gz RPZPLHVNCDRXAN-HNAYVOBHSA-N 0 3 332.444 2.622 20 10 EFCDHN COc1cccc(CN2CC[C@H]3C[C@]32C(=O)N2CCCC23CC3)c1O ZINC001277453930 1312228328 /nfs/dbraw/zinc/22/83/28/1312228328.db2.gz LBTRCVGNCMQQNI-MGPUTAFESA-N 0 3 342.439 2.520 20 10 EFCDHN COc1ccc(CN2CC[C@H]3C[C@]32C(=O)N2CCCC23CC3)c(O)c1 ZINC001277456961 1312247004 /nfs/dbraw/zinc/24/70/04/1312247004.db2.gz KUIFQDHDFQOOBD-MGPUTAFESA-N 0 3 342.439 2.520 20 10 EFCDHN CCNC(=O)CO[C@H]1CCC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC001231590525 1312528872 /nfs/dbraw/zinc/52/88/72/1312528872.db2.gz GHCYXQJDYBMQHL-INIZCTEOSA-N 0 3 342.439 2.663 20 10 EFCDHN CCNC(=O)CO[C@H]1CCC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC001231590525 1312528876 /nfs/dbraw/zinc/52/88/76/1312528876.db2.gz GHCYXQJDYBMQHL-INIZCTEOSA-N 0 3 342.439 2.663 20 10 EFCDHN Cc1ccc(C[N@@H+]2C[C@H]3C[C@@]3(C(=O)N3CCCC34CC4)C2)c([O-])c1 ZINC001277566034 1312565768 /nfs/dbraw/zinc/56/57/68/1312565768.db2.gz CGXDTRDUYYAUNV-OXQOHEQNSA-N 0 3 326.440 2.678 20 10 EFCDHN Cc1ccc(C[N@H+]2C[C@H]3C[C@@]3(C(=O)N3CCCC34CC4)C2)c([O-])c1 ZINC001277566034 1312565769 /nfs/dbraw/zinc/56/57/69/1312565769.db2.gz CGXDTRDUYYAUNV-OXQOHEQNSA-N 0 3 326.440 2.678 20 10 EFCDHN Cc1ccc(C[NH2+][C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)N2CC=CC2)c([O-])c1 ZINC001277568614 1312567893 /nfs/dbraw/zinc/56/78/93/1312567893.db2.gz SYULCMQHJUCFOB-LVFSCSRESA-N 0 3 326.440 2.603 20 10 EFCDHN CCn1ncc2c1[C@H](COC)CN(Cc1c(C)cc(C)cc1O)C2 ZINC001231844804 1312573751 /nfs/dbraw/zinc/57/37/51/1312573751.db2.gz RHMRCAGHRPTMTF-INIZCTEOSA-N 0 3 329.444 2.971 20 10 EFCDHN COc1cccnc1N1CCN(Cc2c(C)cc(C)cc2O)CC1 ZINC001231847853 1312573950 /nfs/dbraw/zinc/57/39/50/1312573950.db2.gz DXTSDTLVAFWZLW-UHFFFAOYSA-N 0 3 327.428 2.735 20 10 EFCDHN COc1cc(N(C)C)ccc1CN1CCC(N(C)C(=O)C(C)C)CC1 ZINC001231857705 1312575788 /nfs/dbraw/zinc/57/57/88/1312575788.db2.gz NRBGVKXEMVTKNW-UHFFFAOYSA-N 0 3 347.503 2.840 20 10 EFCDHN COc1cc(N(C)C)ccc1CN(C(C)C)[C@@H]1CCN(C(C)=O)C1 ZINC001231857255 1312575875 /nfs/dbraw/zinc/57/58/75/1312575875.db2.gz HJMYVXJXJVBFAD-GOSISDBHSA-N 0 3 333.476 2.592 20 10 EFCDHN OC[C@@H]1CCCN(Cc2ccc(N3CCOCC3)c(Cl)c2)CC1 ZINC001232194578 1312646013 /nfs/dbraw/zinc/64/60/13/1312646013.db2.gz KBEXSWNEWKFQFK-OAHLLOKOSA-N 0 3 338.879 2.771 20 10 EFCDHN OCC[C@H]1CCCN(Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001232202713 1312648254 /nfs/dbraw/zinc/64/82/54/1312648254.db2.gz FQHBJASUWZNNOU-OAHLLOKOSA-N 0 3 338.879 2.771 20 10 EFCDHN O=C1CCC[C@H]2CN(Cc3ccc(N4CCOCC4)c(Cl)c3)C[C@H]12 ZINC001232204344 1312648531 /nfs/dbraw/zinc/64/85/31/1312648531.db2.gz LIUUDTCMNDVBCW-HOTGVXAUSA-N 0 3 348.874 2.978 20 10 EFCDHN COc1cc([O-])c(CN2CCN(c3cc[nH+]cc3)CC2)cc1Cl ZINC001232266724 1312661583 /nfs/dbraw/zinc/66/15/83/1312661583.db2.gz XQPXDKXKUCQTQR-UHFFFAOYSA-N 0 3 333.819 2.771 20 10 EFCDHN CC(C)(C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-])S(C)(=O)=O ZINC000749121649 1314793163 /nfs/dbraw/zinc/79/31/63/1314793163.db2.gz ZRPVTQQCOXUMAA-UHFFFAOYSA-N 0 3 333.453 2.972 20 10 EFCDHN COC(=O)Cc1ccc(C[N@@H+]2CCc3ccc(C)cc3C2)c([O-])c1 ZINC001249173641 1315029395 /nfs/dbraw/zinc/02/93/95/1315029395.db2.gz USJVDEMAIZCRFG-UHFFFAOYSA-N 0 3 325.408 2.974 20 10 EFCDHN COC(=O)Cc1ccc(C[N@H+]2CCc3ccc(C)cc3C2)c([O-])c1 ZINC001249173641 1315029397 /nfs/dbraw/zinc/02/93/97/1315029397.db2.gz USJVDEMAIZCRFG-UHFFFAOYSA-N 0 3 325.408 2.974 20 10 EFCDHN COC(=O)Cc1ccc(C[N@@H+]2CCC[C@H]2c2ccccn2)c([O-])c1 ZINC001249201254 1315032921 /nfs/dbraw/zinc/03/29/21/1315032921.db2.gz MAOCTBDCYBDQOQ-KRWDZBQOSA-N 0 3 326.396 2.840 20 10 EFCDHN COC(=O)Cc1ccc(C[N@H+]2CCC[C@H]2c2ccccn2)c([O-])c1 ZINC001249201254 1315032925 /nfs/dbraw/zinc/03/29/25/1315032925.db2.gz MAOCTBDCYBDQOQ-KRWDZBQOSA-N 0 3 326.396 2.840 20 10 EFCDHN CC1(C)C=Cc2c([O-])c(C[NH+]3CCC4(C[C@H](O)CO4)CC3)ccc2O1 ZINC001249230573 1315036034 /nfs/dbraw/zinc/03/60/34/1315036034.db2.gz LUCDJUDPVBADNG-HNNXBMFYSA-N 0 3 345.439 2.692 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)c2ccc(C#N)cc2)N(C)C)cc1 ZINC000038635167 1315039485 /nfs/dbraw/zinc/03/94/85/1315039485.db2.gz LPGASSAFYXIODD-IBGZPJMESA-N 0 3 336.439 2.657 20 10 EFCDHN O=C1c2ccccc2C(=O)c2cc(O[C@@H]3CCNC[C@@H]3F)ccc21 ZINC001218074458 1315143979 /nfs/dbraw/zinc/14/39/79/1315143979.db2.gz ZYFWFOYZRAQDDL-DLBZAZTESA-N 0 3 325.339 2.541 20 10 EFCDHN O=C1c2cccc([O-])c2C(=O)c2c(O[C@H]3C[C@H]4C[NH2+]C[C@H]4C3)cccc21 ZINC001218137527 1315154209 /nfs/dbraw/zinc/15/42/09/1315154209.db2.gz PVTYARHHANKSJP-CLLJXQQHSA-N 0 3 349.386 2.544 20 10 EFCDHN O=C1c2cccc([O-])c2C(=O)c2c(O[C@@H]3C[C@H]4CC[NH2+][C@@H]4C3)cccc21 ZINC001218247182 1315170590 /nfs/dbraw/zinc/17/05/90/1315170590.db2.gz PKWOQTZAQLYPPA-LALPHHSUSA-N 0 3 349.386 2.687 20 10 EFCDHN [O-]c1ccccc1C[NH+]1CC2(C1)CCN(Cc1nc3ccccc3[nH]1)C2 ZINC001278552866 1315174761 /nfs/dbraw/zinc/17/47/61/1315174761.db2.gz ZLWGYFCRTSZBAW-UHFFFAOYSA-N 0 3 348.450 2.976 20 10 EFCDHN C[C@@H]1C[NH2+]CC[C@H]1Oc1cccc2c1C(=O)c1c([O-])cccc1C2=O ZINC001218419516 1315193190 /nfs/dbraw/zinc/19/31/90/1315193190.db2.gz NOWWQBBDHJBWBH-IAQYHMDHSA-N 0 3 337.375 2.544 20 10 EFCDHN C[C@H]1C[NH2+]CC[C@@H]1Oc1cccc2c1C(=O)c1c([O-])cccc1C2=O ZINC001218419517 1315193410 /nfs/dbraw/zinc/19/34/10/1315193410.db2.gz NOWWQBBDHJBWBH-NHYWBVRUSA-N 0 3 337.375 2.544 20 10 EFCDHN O=C1c2ccccc2C(=O)c2c(O[C@@H]3CNCCC3(F)F)cccc21 ZINC001218448245 1315197495 /nfs/dbraw/zinc/19/74/95/1315197495.db2.gz NPQPKELIJDEPGQ-OAHLLOKOSA-N 0 3 343.329 2.838 20 10 EFCDHN O=C1c2cccc(O[C@@H]3CC[C@H]4C[NH2+]C[C@@H]43)c2C(=O)c2cccc([O-])c21 ZINC001218458419 1315199542 /nfs/dbraw/zinc/19/95/42/1315199542.db2.gz AWMOHIDQQYEQBZ-HZUKXOBISA-N 0 3 349.386 2.544 20 10 EFCDHN O=C1c2cccc([O-])c2C(=O)c2c(O[C@@H]3CC[C@H]4C[NH2+]C[C@H]43)cccc21 ZINC001218473855 1315201758 /nfs/dbraw/zinc/20/17/58/1315201758.db2.gz SBCXFJXYBLTMHP-SGIREYDYSA-N 0 3 349.386 2.544 20 10 EFCDHN CCc1ccc(C[NH+]2CCC3(CN(C(=O)NC(C)C)C3)CC2)c([O-])c1 ZINC001276805435 1315318382 /nfs/dbraw/zinc/31/83/82/1315318382.db2.gz XFLIKRYSJQILGV-UHFFFAOYSA-N 0 3 345.487 2.970 20 10 EFCDHN COc1cc(C)c(CN2C[C@@H]3CN(C4CCCC4)C[C@H](C2)O3)c(O)c1 ZINC001276807121 1315336587 /nfs/dbraw/zinc/33/65/87/1315336587.db2.gz ZSGIZFHXVCOBBW-HDICACEKSA-N 0 3 346.471 2.537 20 10 EFCDHN C[C@@H]1CCC[NH2+][C@@H]1C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001220212811 1315385777 /nfs/dbraw/zinc/38/57/77/1315385777.db2.gz XGRXECGMIWWRBU-YGRLFVJLSA-N 0 3 333.819 2.598 20 10 EFCDHN C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001220212868 1315385953 /nfs/dbraw/zinc/38/59/53/1315385953.db2.gz ZNJJWCZVQHWXHQ-CMPLNLGQSA-N 0 3 333.819 2.598 20 10 EFCDHN CC[C@H](C)CN1CC[C@@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001039060599 1315433619 /nfs/dbraw/zinc/43/36/19/1315433619.db2.gz LXEGPYOEYWTOBR-SWLSCSKDSA-N 0 3 331.420 2.699 20 10 EFCDHN CCOc1ccc(C[N@@H+]2CC[C@H]3CN(Cc4ccc[nH]4)C[C@H]32)c([O-])c1 ZINC001276815715 1315444519 /nfs/dbraw/zinc/44/45/19/1315444519.db2.gz YLEJKWIQYHIVNI-HNAYVOBHSA-N 0 3 341.455 2.825 20 10 EFCDHN CCOc1ccc(C[N@H+]2CC[C@H]3CN(Cc4ccc[nH]4)C[C@H]32)c([O-])c1 ZINC001276815715 1315444522 /nfs/dbraw/zinc/44/45/22/1315444522.db2.gz YLEJKWIQYHIVNI-HNAYVOBHSA-N 0 3 341.455 2.825 20 10 EFCDHN CC(C)(C)c1ccc(OC[C@@H](O)CNCc2ccc(O)c(O)c2)cc1 ZINC001252764777 1315503780 /nfs/dbraw/zinc/50/37/80/1315503780.db2.gz FMQIVPWWNKONPT-INIZCTEOSA-N 0 3 345.439 2.925 20 10 EFCDHN C[C@@H]([NH2+]C[C@@](C)(O)C(=O)OCc1ccccc1)c1ccccc1[O-] ZINC001253652844 1315623841 /nfs/dbraw/zinc/62/38/41/1315623841.db2.gz FWAJOGUAQGBBIC-AUUYWEPGSA-N 0 3 329.396 2.537 20 10 EFCDHN COc1ccc(CNC[C@@](C)(O)C(=O)OCc2ccccc2)cc1C ZINC001253660134 1315625151 /nfs/dbraw/zinc/62/51/51/1315625151.db2.gz GNZBRVWNWOIQNE-HXUWFJFHSA-N 0 3 343.423 2.588 20 10 EFCDHN C[C@@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C(=O)C1)c1ccccc1[O-] ZINC001254234844 1315685627 /nfs/dbraw/zinc/68/56/27/1315685627.db2.gz MKVYBABETQLMNI-CHWSQXEVSA-N 0 3 334.416 2.969 20 10 EFCDHN CCOC(=O)[C@H]1CCC[C@@H](N2CCCc3cc(O)c(O)cc3C2)C1 ZINC001255375693 1315812291 /nfs/dbraw/zinc/81/22/91/1315812291.db2.gz BYQUCYXRNWHJER-GOEBONIOSA-N 0 3 333.428 2.968 20 10 EFCDHN COC[C@@H](C)N1CCN(c2ccc(OCc3cccnc3)cc2)CC1 ZINC001255579918 1315842767 /nfs/dbraw/zinc/84/27/67/1315842767.db2.gz WGNVUFYCIVQXLW-QGZVFWFLSA-N 0 3 341.455 2.818 20 10 EFCDHN CCCNC(=O)CCCN1CCN(c2ccc(OCC)cc2)CC1 ZINC001261360800 1316406903 /nfs/dbraw/zinc/40/69/03/1316406903.db2.gz XCAFDACZOKILGE-UHFFFAOYSA-N 0 3 333.476 2.514 20 10 EFCDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NCc2ccc(N)cc2)C1 ZINC001262597240 1316474790 /nfs/dbraw/zinc/47/47/90/1316474790.db2.gz JFXFWEAUFWDKQW-HNAYVOBHSA-N 0 3 338.455 2.904 20 10 EFCDHN Oc1cc2ccccc2cc1CN1CC2(CCN2CCn2ccnc2)C1 ZINC001279667109 1317351859 /nfs/dbraw/zinc/35/18/59/1317351859.db2.gz OZWCKZKGMCCPSB-UHFFFAOYSA-N 0 3 348.450 2.702 20 10 EFCDHN CC[C@@H]1CN(Cc2ccc(N3CCN(C)CC3)c(F)c2)CCS1 ZINC001319711899 1328959630 /nfs/dbraw/zinc/95/96/30/1328959630.db2.gz KAERGJUXDKSDQQ-MRXNPFEDSA-N 0 3 337.508 2.905 20 10 EFCDHN COc1cccc([O-])c1C[NH2+][C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001319973139 1329046537 /nfs/dbraw/zinc/04/65/37/1329046537.db2.gz NBJNIUWCJASPRH-INIZCTEOSA-N 0 3 340.423 2.795 20 10 EFCDHN C[C@H]([NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F)C(=O)NCC(F)(F)F ZINC001320130177 1329092674 /nfs/dbraw/zinc/09/26/74/1329092674.db2.gz JLPDVUPPZPHTFP-KHQFGBGNSA-N 0 3 334.313 2.736 20 10 EFCDHN CCOC(=O)C[C@H]1CCC[N@@H+]1Cc1cc(Cl)cc(OC)c1[O-] ZINC001320469521 1329139424 /nfs/dbraw/zinc/13/94/24/1329139424.db2.gz DKJLVBSKQGHKJW-CYBMUJFWSA-N 0 3 327.808 2.972 20 10 EFCDHN CCOC(=O)C[C@H]1CCC[N@H+]1Cc1cc(Cl)cc(OC)c1[O-] ZINC001320469521 1329139426 /nfs/dbraw/zinc/13/94/26/1329139426.db2.gz DKJLVBSKQGHKJW-CYBMUJFWSA-N 0 3 327.808 2.972 20 10 EFCDHN CCOC(=O)C[C@H]1CCCN1Cc1cc(Cl)cc(OC)c1O ZINC001320469521 1329139429 /nfs/dbraw/zinc/13/94/29/1329139429.db2.gz DKJLVBSKQGHKJW-CYBMUJFWSA-N 0 3 327.808 2.972 20 10 EFCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CC(=O)NCC(C)C)c1[O-] ZINC001320765310 1329183232 /nfs/dbraw/zinc/18/32/32/1329183232.db2.gz WYQYFQXSNVUYML-NSHDSACASA-N 0 3 343.265 2.886 20 10 EFCDHN COc1ccc(N2CC[C@H](CNC(=O)[C@H](N)C3CCCCC3)C2)cc1 ZINC001326315729 1329746733 /nfs/dbraw/zinc/74/67/33/1329746733.db2.gz BNDBGCOSJHGTFR-DNVCBOLYSA-N 0 3 345.487 2.545 20 10 EFCDHN COC[C@H]1CCCCN1Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001326450676 1329757809 /nfs/dbraw/zinc/75/78/09/1329757809.db2.gz AXHXKSICNMDWEQ-QGZVFWFLSA-N 0 3 335.467 2.578 20 10 EFCDHN CC[C@H]1CN(Cc2ccc(N3CCN(C)CC3)c(F)c2)CCCO1 ZINC001326996681 1330396733 /nfs/dbraw/zinc/39/67/33/1330396733.db2.gz KWGCYCCPVGTNEH-KRWDZBQOSA-N 0 3 335.467 2.578 20 10 EFCDHN COc1cccc(O)c1CNC[C@@H]1CC(c2ccc(C)cc2)=NO1 ZINC001331579776 1330855733 /nfs/dbraw/zinc/85/57/33/1330855733.db2.gz KRMJFDQJLWUNBP-HNNXBMFYSA-N 0 3 326.396 2.992 20 10 EFCDHN COc1cccc(O)c1CNC[C@H]1CC(c2ccc(C)cc2)=NO1 ZINC001331579779 1330855737 /nfs/dbraw/zinc/85/57/37/1330855737.db2.gz KRMJFDQJLWUNBP-OAHLLOKOSA-N 0 3 326.396 2.992 20 10 EFCDHN C[C@H]1C[C@H](NC(=O)NCc2ccc(N)cc2)CN1Cc1ccccc1 ZINC001337016631 1331527924 /nfs/dbraw/zinc/52/79/24/1331527924.db2.gz RVGVSPGZZVOEJO-KXBFYZLASA-N 0 3 338.455 2.731 20 10 EFCDHN CC[C@@H](N[C@H](C)C(=O)NCC(F)(F)F)c1ccc(N(C)C)cc1 ZINC001337294850 1331558357 /nfs/dbraw/zinc/55/83/57/1331558357.db2.gz TXDIQFQPGYSVIH-BXUZGUMPSA-N 0 3 331.382 2.860 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)[C@H]2CCOC(C)(C)C2)N(C)C)cc1 ZINC001337459716 1331577174 /nfs/dbraw/zinc/57/71/74/1331577174.db2.gz RPOVJKDWOYJERX-WMZOPIPTSA-N 0 3 347.503 2.677 20 10 EFCDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCc1ccc(N)cc1 ZINC001338580605 1331717838 /nfs/dbraw/zinc/71/78/38/1331717838.db2.gz AUPSQVBNZKDCRA-HNAYVOBHSA-N 0 3 338.455 2.589 20 10 EFCDHN COc1cccc2c1OCC[C@H]2NCc1cc2c(cc1O)OCO2 ZINC000848574820 1334802774 /nfs/dbraw/zinc/80/27/74/1334802774.db2.gz IYONOYYWVDAAGP-CYBMUJFWSA-N 0 3 329.352 2.743 20 10 EFCDHN CCc1cccc(CN[C@H](C)c2cccc(S(=O)(=O)NC)c2)c1O ZINC000848895084 1334968248 /nfs/dbraw/zinc/96/82/48/1334968248.db2.gz PCHXZDDMQDJZNT-CYBMUJFWSA-N 0 3 348.468 2.714 20 10 EFCDHN CCc1cccc(CNCCS(=O)(=O)CCc2ccccc2)c1O ZINC000848909129 1334978788 /nfs/dbraw/zinc/97/87/88/1334978788.db2.gz LRYQSYOXERSBHX-UHFFFAOYSA-N 0 3 347.480 2.702 20 10 EFCDHN CCOc1ccc(O)c(CN2CCC(Oc3ncc(C)cn3)CC2)c1 ZINC000848924868 1334989464 /nfs/dbraw/zinc/98/94/64/1334989464.db2.gz FGIAPEOTYJXSKW-UHFFFAOYSA-N 0 3 343.427 2.933 20 10 EFCDHN C[C@H](O)CN(Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C1CC1 ZINC000848929143 1334993830 /nfs/dbraw/zinc/99/38/30/1334993830.db2.gz TYFDBVBXPCNRAO-AWEZNQCLSA-N 0 3 333.432 2.930 20 10 EFCDHN CSCC[C@H]([NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F)C(=O)N(C)C ZINC000806663010 713470299 /nfs/dbraw/zinc/47/02/99/713470299.db2.gz RKJKBTUFTSITCG-KGYLQXTDSA-N 0 3 340.464 2.879 20 10 EFCDHN Cc1nc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)sc1C ZINC000891246732 714132688 /nfs/dbraw/zinc/13/26/88/714132688.db2.gz CLEFHCXQVAROSC-INIZCTEOSA-N 0 3 346.500 2.859 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)/C=C\c2ccc[nH]2)N(C)C)cc1 ZINC000891246772 714133128 /nfs/dbraw/zinc/13/31/28/714133128.db2.gz DGFFPMZLMVTWLC-DVESRUBUSA-N 0 3 326.444 2.513 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)[C@@H]2C[C@H]2C2CCC2)N(C)C)cc1 ZINC000891246838 714133176 /nfs/dbraw/zinc/13/31/76/714133176.db2.gz QDGSVQRZVOWANT-OTWHNJEPSA-N 0 3 329.488 2.908 20 10 EFCDHN CO[C@@H]1CCC[C@@H](C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC000891247098 714134811 /nfs/dbraw/zinc/13/48/11/714134811.db2.gz HJYJGOBXDCJRLK-QRQLOZEOSA-N 0 3 347.503 2.677 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2C[C@H]2c2ccco2)N(C)C)cc1 ZINC000891248588 714136596 /nfs/dbraw/zinc/13/65/96/714136596.db2.gz ZFXKYBJAEXJFOZ-KZNAEPCWSA-N 0 3 341.455 2.868 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)c2ocnc2C2CC2)N(C)C)cc1 ZINC000891249930 714139183 /nfs/dbraw/zinc/13/91/83/714139183.db2.gz UOAITPBJYBSBQH-INIZCTEOSA-N 0 3 342.443 2.651 20 10 EFCDHN COCCC[C@H](C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891248763 714139610 /nfs/dbraw/zinc/13/96/10/714139610.db2.gz NUGPDGHXDVIHLN-YJBOKZPZSA-N 0 3 335.492 2.534 20 10 EFCDHN C[C@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)C(F)(F)F ZINC000891250482 714140516 /nfs/dbraw/zinc/14/05/16/714140516.db2.gz AGQZMPHWMVFSSH-BXUZGUMPSA-N 0 3 331.382 2.670 20 10 EFCDHN Cc1ccc(O)cc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891250239 714142048 /nfs/dbraw/zinc/14/20/48/714142048.db2.gz VPRDDMQEDKVXIJ-IBGZPJMESA-N 0 3 341.455 2.799 20 10 EFCDHN CC(C)n1nccc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891252428 714145432 /nfs/dbraw/zinc/14/54/32/714145432.db2.gz LFBCHWUEIPUXSN-GOSISDBHSA-N 0 3 343.475 2.563 20 10 EFCDHN CCc1ncc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)s1 ZINC000891256279 714150675 /nfs/dbraw/zinc/15/06/75/714150675.db2.gz WXAXIXJVFQYYBZ-OAHLLOKOSA-N 0 3 346.500 2.804 20 10 EFCDHN CN(C)Cc1ccc(C(=O)Nc2cccc(N3CCOCC3)c2)cc1 ZINC000160725816 714450649 /nfs/dbraw/zinc/45/06/49/714450649.db2.gz JUHJGICINGUUFZ-UHFFFAOYSA-N 0 3 339.439 2.837 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)NCc2ccsc2)N(C)C)cc1 ZINC000891854269 715066845 /nfs/dbraw/zinc/06/68/45/715066845.db2.gz HWJREKLJDAZWBE-KRWDZBQOSA-N 0 3 346.500 2.916 20 10 EFCDHN CN(C(=O)NCc1ccc(N2CCCC2)cc1)[C@H]1CCCN(C)C1 ZINC000891999390 715215653 /nfs/dbraw/zinc/21/56/53/715215653.db2.gz CBTQZFWJUGDDOL-SFHVURJKSA-N 0 3 330.476 2.522 20 10 EFCDHN COc1ccc(CN2CCC[C@H]2c2cn(C)nc2C)c(O)c1OC ZINC000892222833 715372583 /nfs/dbraw/zinc/37/25/83/715372583.db2.gz BHNRIAFKTYFJFR-HNNXBMFYSA-N 0 3 331.416 2.788 20 10 EFCDHN CC1(C)CC[C@@H](CO)N(Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000895925527 724396442 /nfs/dbraw/zinc/39/64/42/724396442.db2.gz BZICKEVLOTZIRH-INIZCTEOSA-N 0 3 336.451 2.645 20 10 EFCDHN COc1ccc(CN(CCO)Cc2ccc(C)cc2)c(O)c1OC ZINC000893509321 716323851 /nfs/dbraw/zinc/32/38/51/716323851.db2.gz RNNSTZRRMQIBOH-UHFFFAOYSA-N 0 3 331.412 2.712 20 10 EFCDHN CC1(C)CN(CCCF)C[C@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000977658740 716450365 /nfs/dbraw/zinc/45/03/65/716450365.db2.gz IWJDVDIIDQTZGQ-CQSZACIVSA-N 0 3 349.410 2.649 20 10 EFCDHN Cc1cc(C(=O)NCCN2CCC(C)CC2)c(C)n1-c1ccccn1 ZINC000125700474 716738045 /nfs/dbraw/zinc/73/80/45/716738045.db2.gz BPHFHKLRSUTGBU-UHFFFAOYSA-N 0 3 340.471 2.951 20 10 EFCDHN C[C@@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1)C(=O)N1CCCCC1 ZINC000178462944 716888187 /nfs/dbraw/zinc/88/81/87/716888187.db2.gz AMQDASATXYAURZ-DLBZAZTESA-N 0 3 345.487 2.575 20 10 EFCDHN CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000310532421 717846760 /nfs/dbraw/zinc/84/67/60/717846760.db2.gz ZQRFLJRFAQMXCC-OEUWWYETSA-N 0 3 330.428 2.834 20 10 EFCDHN COc1ccccc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000005097760 718057446 /nfs/dbraw/zinc/05/74/46/718057446.db2.gz HGAURWNLLGWOST-GOSISDBHSA-N 0 3 341.455 2.794 20 10 EFCDHN NC(=O)N=Nc1ccc(C(=O)NC[C@H]2CCCCN2CCCF)cc1 ZINC001024818935 718179801 /nfs/dbraw/zinc/17/98/01/718179801.db2.gz IHESTZGOBGRPPN-OAHLLOKOSA-N 0 3 349.410 2.793 20 10 EFCDHN CN(C)c1ccc(CN[C@H]2CC(=O)N(c3c(F)cccc3F)C2)cc1 ZINC000180219412 718305874 /nfs/dbraw/zinc/30/58/74/718305874.db2.gz KLAXVCMRMBOXIE-AWEZNQCLSA-N 0 3 345.393 2.926 20 10 EFCDHN COc1cc(Cl)cc(C[N@H+](C)C(C)(C)CN2CCOCC2)c1[O-] ZINC000840978571 720024941 /nfs/dbraw/zinc/02/49/41/720024941.db2.gz SUUPNNUSMQACAH-UHFFFAOYSA-N 0 3 342.867 2.597 20 10 EFCDHN COc1cc(Cl)cc(C[N@@H+](C)C(C)(C)CN2CCOCC2)c1[O-] ZINC000840978571 720024945 /nfs/dbraw/zinc/02/49/45/720024945.db2.gz SUUPNNUSMQACAH-UHFFFAOYSA-N 0 3 342.867 2.597 20 10 EFCDHN COc1cc(Br)cc(CN2CCC[C@H](CO)[C@@H]2C)c1O ZINC000840980408 720037720 /nfs/dbraw/zinc/03/77/20/720037720.db2.gz ZCYFWXFEBKOTQV-WDEREUQCSA-N 0 3 344.249 2.756 20 10 EFCDHN C[C@H]([NH2+]Cc1cccc(N2CCCS2(=O)=O)c1)c1ccccc1[O-] ZINC000185298414 720407004 /nfs/dbraw/zinc/40/70/04/720407004.db2.gz REEUSMYDJCGIPT-AWEZNQCLSA-N 0 3 346.452 2.783 20 10 EFCDHN COc1cc(C)cc(CNCC(=O)N2CCCc3ccccc32)c1O ZINC000894206383 721207038 /nfs/dbraw/zinc/20/70/38/721207038.db2.gz FTQOQESDJSAAHS-UHFFFAOYSA-N 0 3 340.423 2.778 20 10 EFCDHN COc1cc(C)cc(CN[C@@H]2C[C@H](C)N(c3ccccc3)C2=O)c1O ZINC000894305127 722029189 /nfs/dbraw/zinc/02/91/89/722029189.db2.gz WSIIFWOBQUYYTM-WMLDXEAASA-N 0 3 340.423 2.993 20 10 EFCDHN CC[C@@H](F)CN1CC[C@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001029013971 722639116 /nfs/dbraw/zinc/63/91/16/722639116.db2.gz MSUBJIFGWIKGFW-TZMCWYRMSA-N 0 3 349.410 2.649 20 10 EFCDHN COc1cc(C)cc(CN[C@@H](c2cccnc2)C(C)(C)CO)c1O ZINC000894857443 722900855 /nfs/dbraw/zinc/90/08/55/722900855.db2.gz MMRXCJPUCWPLCF-SFHVURJKSA-N 0 3 330.428 2.954 20 10 EFCDHN COc1cc(C)cc(CN[C@@H](C)C(=O)Nc2cccnc2C)c1O ZINC000894970249 723039027 /nfs/dbraw/zinc/03/90/27/723039027.db2.gz XASXTLRVQRWULF-ZDUSSCGKSA-N 0 3 329.400 2.529 20 10 EFCDHN Cc1nc([C@H]2CC[N@H+](Cc3cccc(Br)c3[O-])C2)n[nH]1 ZINC000895007589 723052260 /nfs/dbraw/zinc/05/22/60/723052260.db2.gz KGTYYWPYURTOAD-NSHDSACASA-N 0 3 337.221 2.571 20 10 EFCDHN Cc1nc([C@H]2CC[N@@H+](Cc3cccc(Br)c3[O-])C2)n[nH]1 ZINC000895007589 723052261 /nfs/dbraw/zinc/05/22/61/723052261.db2.gz KGTYYWPYURTOAD-NSHDSACASA-N 0 3 337.221 2.571 20 10 EFCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCC[C@@H](CNC(C)=O)C3)c2c1 ZINC000067382671 723139443 /nfs/dbraw/zinc/13/94/43/723139443.db2.gz WSNBPBAZVQZZOA-HNNXBMFYSA-N 0 3 342.439 2.902 20 10 EFCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCC[C@@H](CNC(C)=O)C3)c2c1 ZINC000067382671 723139445 /nfs/dbraw/zinc/13/94/45/723139445.db2.gz WSNBPBAZVQZZOA-HNNXBMFYSA-N 0 3 342.439 2.902 20 10 EFCDHN COc1ccc(CN2CCC(Nc3ccccn3)CC2)c(O)c1OC ZINC000896193463 723189871 /nfs/dbraw/zinc/18/98/71/723189871.db2.gz XERZOIMVJOHLQV-UHFFFAOYSA-N 0 3 343.427 2.881 20 10 EFCDHN Cc1cc(Br)cc(C[N@@H+]2CC[C@@H](C3OCCO3)C2)c1[O-] ZINC000896386151 723278008 /nfs/dbraw/zinc/27/80/08/723278008.db2.gz KRQXVSNRUDINEF-LLVKDONJSA-N 0 3 342.233 2.658 20 10 EFCDHN Cc1cc(Br)cc(C[N@H+]2CC[C@@H](C3OCCO3)C2)c1[O-] ZINC000896386151 723278012 /nfs/dbraw/zinc/27/80/12/723278012.db2.gz KRQXVSNRUDINEF-LLVKDONJSA-N 0 3 342.233 2.658 20 10 EFCDHN Cc1cc(Br)cc(C[NH2+]CC2CC3(C2)OCCO3)c1[O-] ZINC000896911746 723861927 /nfs/dbraw/zinc/86/19/27/723861927.db2.gz JIZINRFSLZVZJA-UHFFFAOYSA-N 0 3 342.233 2.706 20 10 EFCDHN CN1CCN(c2ccc(CNCc3nc(Cl)cs3)cc2)CC1 ZINC000895607708 724221804 /nfs/dbraw/zinc/22/18/04/724221804.db2.gz UJOYCUDSCNWDJP-UHFFFAOYSA-N 0 3 336.892 2.838 20 10 EFCDHN CCO/C=C\[C@@](O)(CNCc1ccc(N(C)C)cc1)C(F)(F)F ZINC000895710422 724269895 /nfs/dbraw/zinc/26/98/95/724269895.db2.gz VFGNZCANAVQCCW-FJVVXJACSA-N 0 3 332.366 2.686 20 10 EFCDHN Cc1ccc(S(=O)(=O)C[C@H](C)NCc2cc(C)ccc2O)cc1 ZINC000152735703 726236686 /nfs/dbraw/zinc/23/66/86/726236686.db2.gz VSSUMQMJKBRFBN-HNNXBMFYSA-N 0 3 333.453 2.961 20 10 EFCDHN CCN(CC)c1ccc(CNC(=O)N2CCCN(C)CC2)cc1F ZINC000731404161 726857000 /nfs/dbraw/zinc/85/70/00/726857000.db2.gz HXKLAGWWPKWVKP-UHFFFAOYSA-N 0 3 336.455 2.519 20 10 EFCDHN C[C@@H](Cn1cccn1)NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000915228672 726906598 /nfs/dbraw/zinc/90/65/98/726906598.db2.gz RFYXDSOMIHVAOP-HNNXBMFYSA-N 0 3 343.431 2.960 20 10 EFCDHN COc1cc(C)cc(CN2CCN(c3ccc(O)cc3)CC2)c1O ZINC000915790512 727138637 /nfs/dbraw/zinc/13/86/37/727138637.db2.gz JWLUSWIBPXYQOH-UHFFFAOYSA-N 0 3 328.412 2.737 20 10 EFCDHN CCC[C@](C)(O)C[NH2+]Cc1cc(Br)cc(OC)c1[O-] ZINC000732820570 727244711 /nfs/dbraw/zinc/24/47/11/727244711.db2.gz LKHOBYONGXDNEY-AWEZNQCLSA-N 0 3 332.238 2.804 20 10 EFCDHN CN(C)c1ccc(CN(CC(F)(F)F)C(=O)Cc2c[nH]cn2)cc1 ZINC000912105687 727654259 /nfs/dbraw/zinc/65/42/59/727654259.db2.gz FJSXJHHMMREQQB-UHFFFAOYSA-N 0 3 340.349 2.609 20 10 EFCDHN C[C@H]1[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CCCN1CCCF ZINC000994497769 727772098 /nfs/dbraw/zinc/77/20/98/727772098.db2.gz RENZGSUYHWOCRB-SWLSCSKDSA-N 0 3 349.410 2.791 20 10 EFCDHN O=C(NCCN1CCCCC1)NCc1ccc(N2CCCC2)cc1 ZINC000045195643 727989652 /nfs/dbraw/zinc/98/96/52/727989652.db2.gz FAUPGEZFQGXILL-UHFFFAOYSA-N 0 3 330.476 2.572 20 10 EFCDHN COc1cccc(NC(=O)CN[C@H](C)c2cc(OC)ccc2O)c1 ZINC000182432469 728149908 /nfs/dbraw/zinc/14/99/08/728149908.db2.gz VDJKBCGZFZOFQA-GFCCVEGCSA-N 0 3 330.384 2.699 20 10 EFCDHN COc1cccc(NC(=O)CN[C@@H](C)c2cc(OC)ccc2O)c1 ZINC000182432446 728149939 /nfs/dbraw/zinc/14/99/39/728149939.db2.gz VDJKBCGZFZOFQA-LBPRGKRZSA-N 0 3 330.384 2.699 20 10 EFCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@H]1CN(Cc3ccccc3)CCO1)CC2 ZINC000382418552 728242244 /nfs/dbraw/zinc/24/22/44/728242244.db2.gz AWDTVZCAYPPGBX-RBUKOAKNSA-N 0 3 338.451 2.870 20 10 EFCDHN CCOc1ccc(C[NH2+][C@H](CO)Cc2c[nH]c3ccccc23)c([O-])c1 ZINC000734845577 1126106843 /nfs/dbraw/zinc/10/68/43/1126106843.db2.gz VCQRVYKDXFMFJU-INIZCTEOSA-N 0 3 340.423 2.965 20 10 EFCDHN CCOc1ccc(C[NH2+][C@](C)(CO)Cc2ccc(OC)cc2)c([O-])c1 ZINC000873191575 1126119565 /nfs/dbraw/zinc/11/95/65/1126119565.db2.gz PSTUEVMFYOUDDX-FQEVSTJZSA-N 0 3 345.439 2.883 20 10 EFCDHN O=C(NCc1cc(Cl)ccc1O)NC[C@H]1Cc2ccccc2CN1 ZINC001580707962 1090989751 /nfs/dbraw/zinc/98/97/51/1090989751.db2.gz HIIXPVYVLXDRQX-MRXNPFEDSA-N 0 3 345.830 2.559 20 10 EFCDHN COc1ccc(C[NH2+][C@@H](C)c2cc(C)ccc2O)cc1-c1nnn[n-]1 ZINC001591596274 1093786592 /nfs/dbraw/zinc/78/65/92/1093786592.db2.gz OKIHQXINOWVKAU-LBPRGKRZSA-N 0 3 339.399 2.740 20 10 EFCDHN COc1ccc(C[NH2+][C@@H](C)c2cc(C)ccc2O)cc1-c1nn[n-]n1 ZINC001591596274 1093786599 /nfs/dbraw/zinc/78/65/99/1093786599.db2.gz OKIHQXINOWVKAU-LBPRGKRZSA-N 0 3 339.399 2.740 20 10 EFCDHN COc1cccc(C[N@H+](C)[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1O ZINC001591638233 1093811555 /nfs/dbraw/zinc/81/15/55/1093811555.db2.gz OZAGWDHKISHOKE-LBPRGKRZSA-N 0 3 339.399 2.774 20 10 EFCDHN COc1cccc(C[N@@H+](C)[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1O ZINC001591638233 1093811557 /nfs/dbraw/zinc/81/15/57/1093811557.db2.gz OZAGWDHKISHOKE-LBPRGKRZSA-N 0 3 339.399 2.774 20 10 EFCDHN CSc1ccc(C[NH2+]Cc2ccc(C)cc2O)cc1-c1nnn[n-]1 ZINC001591714254 1093840332 /nfs/dbraw/zinc/84/03/32/1093840332.db2.gz YQXKUJLUPBLOAB-UHFFFAOYSA-N 0 3 341.440 2.892 20 10 EFCDHN C[C@@H]([NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(N(C)C)cc1 ZINC001603667789 1096585346 /nfs/dbraw/zinc/58/53/46/1096585346.db2.gz IKUJYSASYQJETK-GFCCVEGCSA-N 0 3 340.406 2.923 20 10 EFCDHN C[C@@H]([NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(N(C)C)cc1 ZINC001603667789 1096585351 /nfs/dbraw/zinc/58/53/51/1096585351.db2.gz IKUJYSASYQJETK-GFCCVEGCSA-N 0 3 340.406 2.923 20 10 EFCDHN O=C(c1cccc(O)c1[O-])N1CCC[C@]2(CC[N@@H+](C3CCCC3)C2)C1 ZINC001269608108 1098286403 /nfs/dbraw/zinc/28/64/03/1098286403.db2.gz UEEDRQGTEIHVAF-HXUWFJFHSA-N 0 3 344.455 2.969 20 10 EFCDHN O=C(c1cccc(O)c1[O-])N1CCC[C@]2(CC[N@H+](C3CCCC3)C2)C1 ZINC001269608108 1098286408 /nfs/dbraw/zinc/28/64/08/1098286408.db2.gz UEEDRQGTEIHVAF-HXUWFJFHSA-N 0 3 344.455 2.969 20 10 EFCDHN Oc1cc(O)c(CCNc2cc(CN3CCCCC3)ccn2)cc1O ZINC001168006895 1100149397 /nfs/dbraw/zinc/14/93/97/1100149397.db2.gz WQSYUSOIXVXJBF-UHFFFAOYSA-N 0 3 343.427 2.839 20 10 EFCDHN Cc1nc2ccc(NCc3ccc(N4CCN(C)CC4)cc3)nc2[nH]1 ZINC001167434683 1101663786 /nfs/dbraw/zinc/66/37/86/1101663786.db2.gz RVNFWFDXHKTARE-UHFFFAOYSA-N 0 3 336.443 2.630 20 10 EFCDHN [O-]c1cccc(Br)c1CN1CCN(c2cc[nH+]cc2)CC1 ZINC001140098505 1102123103 /nfs/dbraw/zinc/12/31/03/1102123103.db2.gz CFYBXSDTNZPIEL-UHFFFAOYSA-N 0 3 348.244 2.872 20 10 EFCDHN COc1cc(Cl)cc(C[NH2+]C2CCN(C(=O)C3CC3)CC2)c1[O-] ZINC000322132886 1105593480 /nfs/dbraw/zinc/59/34/80/1105593480.db2.gz OPGKPVUIPFPHIX-UHFFFAOYSA-N 0 3 338.835 2.545 20 10 EFCDHN [O-]c1cc(F)c(F)cc1C[N@@H+]1CCCN(Cc2ccncc2)CC1 ZINC001142509139 1106042163 /nfs/dbraw/zinc/04/21/63/1106042163.db2.gz YHYOJOPLZVYQCX-UHFFFAOYSA-N 0 3 333.382 2.773 20 10 EFCDHN [O-]c1cc(F)c(F)cc1C[N@H+]1CCCN(Cc2ccncc2)CC1 ZINC001142509139 1106042169 /nfs/dbraw/zinc/04/21/69/1106042169.db2.gz YHYOJOPLZVYQCX-UHFFFAOYSA-N 0 3 333.382 2.773 20 10 EFCDHN CCCN(CCN1CCCCC1)C(=O)NCCc1ccc(N)cc1 ZINC000841962044 1106055052 /nfs/dbraw/zinc/05/50/52/1106055052.db2.gz MJCCCPZYLWXZAV-UHFFFAOYSA-N 0 3 332.492 2.719 20 10 EFCDHN O=C1N(C2CCCC2)CC[C@@]12CCCN2Cc1cc(O)ccc1O ZINC001272386597 1108150940 /nfs/dbraw/zinc/15/09/40/1108150940.db2.gz NXTSFVHARIXLMH-IBGZPJMESA-N 0 3 330.428 2.607 20 10 EFCDHN CC[C@@H](C)N1C[C@]2(CC1=O)CCCCN2Cc1cc(O)ccc1O ZINC001272387314 1108152933 /nfs/dbraw/zinc/15/29/33/1108152933.db2.gz WNKPBBVJPGHUQQ-AUUYWEPGSA-N 0 3 332.444 2.853 20 10 EFCDHN C[C@@H](NC[C@H](c1ccc(N(C)C)cc1)N(C)C)C(=O)OC(C)(C)C ZINC000898448784 1108943286 /nfs/dbraw/zinc/94/32/86/1108943286.db2.gz XDHWTHYXVSPHNI-RHSMWYFYSA-N 0 3 335.492 2.675 20 10 EFCDHN COc1cccc([O-])c1C[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898451111 1108944060 /nfs/dbraw/zinc/94/40/60/1108944060.db2.gz IFRTZQOYAVVCDV-SFHVURJKSA-N 0 3 343.471 2.859 20 10 EFCDHN [O-]c1ccc(F)cc1C[NH2+][C@H]1CCc2ncc(Br)n2C1 ZINC000898726534 1109067321 /nfs/dbraw/zinc/06/73/21/1109067321.db2.gz ZMPFGTRZWQMUOS-NSHDSACASA-N 0 3 340.196 2.595 20 10 EFCDHN CC[C@H]1CCCN1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899101366 1109202202 /nfs/dbraw/zinc/20/22/02/1109202202.db2.gz JTUUNFOETMQLGN-FUHWJXTLSA-N 0 3 332.492 2.939 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=O)N2CCC3(CCC3)C2)N(C)C)cc1 ZINC000899105695 1109204394 /nfs/dbraw/zinc/20/43/94/1109204394.db2.gz YTOXVQLUERYGRZ-GOSISDBHSA-N 0 3 344.503 2.941 20 10 EFCDHN CC[C@@H]1CCN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC000899100704 1109208397 /nfs/dbraw/zinc/20/83/97/1109208397.db2.gz BUZFNOAXXVZPFN-QAPCUYQASA-N 0 3 332.492 2.797 20 10 EFCDHN C[C@@H]1CCN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)[C@H]1C ZINC000899100514 1109208406 /nfs/dbraw/zinc/20/84/06/1109208406.db2.gz AKBPGGORAWEQGV-RVKKMQEKSA-N 0 3 332.492 2.795 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=O)NC(C)(C)C2CC2)N(C)C)cc1 ZINC000899100575 1109208573 /nfs/dbraw/zinc/20/85/73/1109208573.db2.gz AOOKDCGIAKUMOF-QGZVFWFLSA-N 0 3 332.492 2.843 20 10 EFCDHN CCCS(=O)(=O)N1CCC([NH2+][C@H](C)c2ccc(C)cc2[O-])CC1 ZINC000192843292 1109341478 /nfs/dbraw/zinc/34/14/78/1109341478.db2.gz FHPZVFUBCNDPSC-CQSZACIVSA-N 0 3 340.489 2.555 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=S)NC2(C)CCC2)N(C)C)cc1 ZINC000899724299 1109453472 /nfs/dbraw/zinc/45/34/72/1109453472.db2.gz LZMMSGGPKWLGSI-MRXNPFEDSA-N 0 3 334.533 2.762 20 10 EFCDHN CN1C[C@H](c2ccccc2)[C@]2(CC[N@H+](Cc3ccccc3[O-])C2)C1=O ZINC001272618649 1111753041 /nfs/dbraw/zinc/75/30/41/1111753041.db2.gz LEIGCXMCSMTKLM-WIYYLYMNSA-N 0 3 336.435 2.840 20 10 EFCDHN CN1C[C@H](c2ccccc2)[C@]2(CC[N@@H+](Cc3ccccc3[O-])C2)C1=O ZINC001272618649 1111753043 /nfs/dbraw/zinc/75/30/43/1111753043.db2.gz LEIGCXMCSMTKLM-WIYYLYMNSA-N 0 3 336.435 2.840 20 10 EFCDHN CC[C@H](C)N1C(=O)C[C@]2(CCC[N@H+](Cc3ccccc3[O-])C2)C1=O ZINC001272618629 1111753302 /nfs/dbraw/zinc/75/33/02/1111753302.db2.gz KTFGUXZCAROIEH-LIRRHRJNSA-N 0 3 330.428 2.532 20 10 EFCDHN CC[C@H](C)N1C(=O)C[C@]2(CCC[N@@H+](Cc3ccccc3[O-])C2)C1=O ZINC001272618629 1111753307 /nfs/dbraw/zinc/75/33/07/1111753307.db2.gz KTFGUXZCAROIEH-LIRRHRJNSA-N 0 3 330.428 2.532 20 10 EFCDHN CC[C@@H](C)N1CC[C@@]2(CCCN2Cc2cccc(OC)c2O)C1=O ZINC001272622738 1111760255 /nfs/dbraw/zinc/76/02/55/1111760255.db2.gz QILOGPLXMVGMNN-KUHUBIRLSA-N 0 3 332.444 2.766 20 10 EFCDHN COc1ccc(C[NH+]2CCC3(C[C@@H]3C(=O)NCC(C)C)CC2)c([O-])c1 ZINC001272625308 1111764047 /nfs/dbraw/zinc/76/40/47/1111764047.db2.gz KFOBQABEEMSNMY-QGZVFWFLSA-N 0 3 346.471 2.775 20 10 EFCDHN COc1ccc(CN2CCC[C@@]23CCN(CC(C)C)C3=O)c(O)c1 ZINC001272626438 1111767145 /nfs/dbraw/zinc/76/71/45/1111767145.db2.gz XBYFAAKFWBUSDT-IBGZPJMESA-N 0 3 332.444 2.624 20 10 EFCDHN COc1ccc(C[N@@H+]2CCC[C@@]23CCN(CC(C)C)C3=O)c([O-])c1 ZINC001272626438 1111767158 /nfs/dbraw/zinc/76/71/58/1111767158.db2.gz XBYFAAKFWBUSDT-IBGZPJMESA-N 0 3 332.444 2.624 20 10 EFCDHN COc1ccc(C[N@H+]2CCC[C@@]23CCN(CC(C)C)C3=O)c([O-])c1 ZINC001272626438 1111767162 /nfs/dbraw/zinc/76/71/62/1111767162.db2.gz XBYFAAKFWBUSDT-IBGZPJMESA-N 0 3 332.444 2.624 20 10 EFCDHN COc1ccc(CN2CCC[C@]23CCN(C2CCCC2)C3=O)c(O)c1 ZINC001272626349 1111768634 /nfs/dbraw/zinc/76/86/34/1111768634.db2.gz WIUBSHGFZAPUKK-HXUWFJFHSA-N 0 3 344.455 2.910 20 10 EFCDHN COc1ccc(C[N@@H+]2CCC[C@]23CCN(C2CCCC2)C3=O)c([O-])c1 ZINC001272626349 1111768638 /nfs/dbraw/zinc/76/86/38/1111768638.db2.gz WIUBSHGFZAPUKK-HXUWFJFHSA-N 0 3 344.455 2.910 20 10 EFCDHN COc1ccc(C[N@H+]2CCC[C@]23CCN(C2CCCC2)C3=O)c([O-])c1 ZINC001272626349 1111768643 /nfs/dbraw/zinc/76/86/43/1111768643.db2.gz WIUBSHGFZAPUKK-HXUWFJFHSA-N 0 3 344.455 2.910 20 10 EFCDHN CC[C@H](C)N1CC[C@@]2(CCCN2Cc2cc(OC)ccc2O)C1=O ZINC001272637755 1111788238 /nfs/dbraw/zinc/78/82/38/1111788238.db2.gz NANKNLCTCGFHEC-LIRRHRJNSA-N 0 3 332.444 2.766 20 10 EFCDHN Cc1c(O)ccc(CN2CCC[C@]23CCN(C2CCCC2)C3=O)c1O ZINC001272660790 1111953247 /nfs/dbraw/zinc/95/32/47/1111953247.db2.gz WHPFNLAJAGFSIP-HXUWFJFHSA-N 0 3 344.455 2.916 20 10 EFCDHN CCOc1cc(NC2CC[NH+](Cc3cc(F)ccc3[O-])CC2)ncn1 ZINC000185665333 1120429121 /nfs/dbraw/zinc/42/91/21/1120429121.db2.gz YRKVKWNFXZDOSZ-UHFFFAOYSA-N 0 3 346.406 2.797 20 10 EFCDHN CS(=O)(=O)Nc1cccc(CNCc2ccc3c(c2)CCCO3)c1 ZINC000921508917 1120759887 /nfs/dbraw/zinc/75/98/87/1120759887.db2.gz OMTWHMILFFDEOI-UHFFFAOYSA-N 0 3 346.452 2.673 20 10 EFCDHN C[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(F)cc1[O-] ZINC000186126890 299273615 /nfs/dbraw/zinc/27/36/15/299273615.db2.gz KERDXXXBYMGVTB-VHSSKADRSA-N 0 3 336.451 2.950 20 10 EFCDHN Cc1cc(C(=O)NC[C@H](C)N(C)C2CC2)c(C)n1-c1ccccn1 ZINC000057710936 238771756 /nfs/dbraw/zinc/77/17/56/238771756.db2.gz FPWSULDCXAFRML-AWEZNQCLSA-N 0 3 326.444 2.702 20 10 EFCDHN C[C@H](NCCNC(=O)OC(C)(C)C)c1ccc(N2CCOCC2)cc1 ZINC000171130744 239138100 /nfs/dbraw/zinc/13/81/00/239138100.db2.gz PCLPTEOIFWQFIU-HNNXBMFYSA-N 0 3 349.475 2.699 20 10 EFCDHN C[C@@H](O)[C@](C)(C[NH2+]Cc1cc2c(cc1[O-])OCO2)Cc1ccccc1 ZINC000191709355 240003623 /nfs/dbraw/zinc/00/36/23/240003623.db2.gz KLBIWXMWGHSFBY-VLIAUNLRSA-N 0 3 343.423 2.840 20 10 EFCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000192027096 240020423 /nfs/dbraw/zinc/02/04/23/240020423.db2.gz JXQUCKPEHHRYIR-LJQANCHMSA-N 0 3 344.430 2.912 20 10 EFCDHN O=C(NCc1ccccc1C[NH+]1CCCC1)c1cccc(O)c1[O-] ZINC000192899682 240071859 /nfs/dbraw/zinc/07/18/59/240071859.db2.gz KNWAQMFBYPWLNV-UHFFFAOYSA-N 0 3 326.396 2.624 20 10 EFCDHN COC(=O)[C@H]1CC[C@@H]([NH2+]Cc2cc(Br)cc(C)c2[O-])C1 ZINC000193504622 240110284 /nfs/dbraw/zinc/11/02/84/240110284.db2.gz UDORLPPVGNOSIZ-GXFFZTMASA-N 0 3 342.233 2.894 20 10 EFCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCNC(=O)c2ccc(C)cc2)c1 ZINC000193911909 240129476 /nfs/dbraw/zinc/12/94/76/240129476.db2.gz OFQRCIHMWHKNMG-CQSZACIVSA-N 0 3 328.412 2.790 20 10 EFCDHN O=C(NCc1ccc(N2CCCC2)cc1)C1CCN(C2CC2)CC1 ZINC000194249477 240145604 /nfs/dbraw/zinc/14/56/04/240145604.db2.gz IQFCYVUADJLTPG-UHFFFAOYSA-N 0 3 327.472 2.777 20 10 EFCDHN C=Cn1cc(CNCc2ccc(N3CCN(CC)CC3)c(F)c2)cn1 ZINC000194301371 240149138 /nfs/dbraw/zinc/14/91/38/240149138.db2.gz NAVRWOBSVJBIRA-UHFFFAOYSA-N 0 3 343.450 2.554 20 10 EFCDHN Cc1ccc([C@H](C[NH2+]Cc2cc3c(cc2[O-])OCO3)N2CCCC2)o1 ZINC000237652105 240246090 /nfs/dbraw/zinc/24/60/90/240246090.db2.gz CPOLQSLMUIUDNG-HNNXBMFYSA-N 0 3 344.411 2.949 20 10 EFCDHN O=C1CCCN1c1ccc(C[NH2+]Cc2cc3c(cc2[O-])OCO3)cc1 ZINC000238133325 240250940 /nfs/dbraw/zinc/25/09/40/240250940.db2.gz XSLUKENOHGSQSH-UHFFFAOYSA-N 0 3 340.379 2.538 20 10 EFCDHN O=C1CCCN1c1ccc(CNCc2cc3c(cc2O)OCO3)cc1 ZINC000238133325 240250948 /nfs/dbraw/zinc/25/09/48/240250948.db2.gz XSLUKENOHGSQSH-UHFFFAOYSA-N 0 3 340.379 2.538 20 10 EFCDHN CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000236917868 240235825 /nfs/dbraw/zinc/23/58/25/240235825.db2.gz AJBHXFDOJVJBGK-MFKMUULPSA-N 0 3 341.249 2.631 20 10 EFCDHN COc1cccc([C@H](C[NH2+]Cc2cc(OC)ccc2[O-])N(C)C)c1 ZINC000237329156 240242605 /nfs/dbraw/zinc/24/26/05/240242605.db2.gz LDEMDNRYXKDCDI-SFHVURJKSA-N 0 3 330.428 2.802 20 10 EFCDHN CCOc1cccc(C[N@@H+]2CCC[C@@H]2CN2C[C@@H](C)O[C@H](C)C2)c1[O-] ZINC000245551433 240258400 /nfs/dbraw/zinc/25/84/00/240258400.db2.gz BHISQYYMSXKRPW-JFIYKMOQSA-N 0 3 348.487 2.865 20 10 EFCDHN CCOc1cccc(C[N@H+]2CCC[C@@H]2CN2C[C@@H](C)O[C@H](C)C2)c1[O-] ZINC000245551433 240258408 /nfs/dbraw/zinc/25/84/08/240258408.db2.gz BHISQYYMSXKRPW-JFIYKMOQSA-N 0 3 348.487 2.865 20 10 EFCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]CCCN1CCC(O)CC1 ZINC000263880329 240391046 /nfs/dbraw/zinc/39/10/46/240391046.db2.gz BUIYUHNUBPJAJK-UHFFFAOYSA-N 0 3 340.467 2.996 20 10 EFCDHN C[C@H](CN1CCOCC1)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000263722360 240389219 /nfs/dbraw/zinc/38/92/19/240389219.db2.gz WLHNGPMERNZXIL-MRXNPFEDSA-N 0 3 326.440 2.870 20 10 EFCDHN CN(Cc1cc2c(cc1O)OCO2)C[C@H]1OCCc2ccccc21 ZINC000263853707 240390384 /nfs/dbraw/zinc/39/03/84/240390384.db2.gz ZIQQNMMAKVXZJJ-LJQANCHMSA-N 0 3 327.380 2.867 20 10 EFCDHN C[C@@H](NC[C@@H](O)c1cnn(C)c1)c1ccc(N2CCCCC2)c(F)c1 ZINC000268852394 240560338 /nfs/dbraw/zinc/56/03/38/240560338.db2.gz BYNAFDLHNFTBIJ-AUUYWEPGSA-N 0 3 346.450 2.934 20 10 EFCDHN COc1cc(C[NH2+][C@@H](C)c2cc(C)ccc2[O-])ccc1OCCO ZINC000273387170 240695244 /nfs/dbraw/zinc/69/52/44/240695244.db2.gz JWZBMOAIIFPQBB-AWEZNQCLSA-N 0 3 331.412 2.931 20 10 EFCDHN Cc1ccc(O)c(CNCc2ccncc2OC[C@@H]2CCOC2)c1 ZINC000288454940 241010898 /nfs/dbraw/zinc/01/08/98/241010898.db2.gz NGYRIPBUVGXZCO-OAHLLOKOSA-N 0 3 328.412 2.801 20 10 EFCDHN CCC[N@H+](CC)C[C@@H](C)NCc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000290893005 241022122 /nfs/dbraw/zinc/02/21/22/241022122.db2.gz LNJFDHAVWUNEPQ-GFCCVEGCSA-N 0 3 325.409 2.519 20 10 EFCDHN CCC[N@@H+](CC)C[C@@H](C)NCc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000290893005 241022124 /nfs/dbraw/zinc/02/21/24/241022124.db2.gz LNJFDHAVWUNEPQ-GFCCVEGCSA-N 0 3 325.409 2.519 20 10 EFCDHN CCCOc1ccc(C[NH2+][C@@H]2CCCC[C@H]2S(C)(=O)=O)c([O-])c1 ZINC000291636446 241025625 /nfs/dbraw/zinc/02/56/25/241025625.db2.gz BBTSIEVOCAJAPD-NVXWUHKLSA-N 0 3 341.473 2.626 20 10 EFCDHN C[C@@H]([NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)c1ccccc1[O-] ZINC000295970941 241069713 /nfs/dbraw/zinc/06/97/13/241069713.db2.gz NUXPZFKHYNSVLL-ZIAGYGMSSA-N 0 3 336.432 2.679 20 10 EFCDHN CCNC(=O)COc1cccc(C[NH2+][C@H]2CCc3cccc([O-])c32)c1 ZINC000296161342 241076504 /nfs/dbraw/zinc/07/65/04/241076504.db2.gz XHWDFUFTYLKXDF-KRWDZBQOSA-N 0 3 340.423 2.684 20 10 EFCDHN CN(C)c1ccc(CNC(=O)N2CC[C@]3(C2)CCCN(C)C3)cc1F ZINC000297398032 241120404 /nfs/dbraw/zinc/12/04/04/241120404.db2.gz XIMXRSDBWQWZHX-LJQANCHMSA-N 0 3 348.466 2.519 20 10 EFCDHN O=C1[C@@H]([NH2+][C@H]2CCc3cccc([O-])c32)CCCN1Cc1ccccn1 ZINC000296498360 241088285 /nfs/dbraw/zinc/08/82/85/241088285.db2.gz PZZDHEJGOXSALV-IRXDYDNUSA-N 0 3 337.423 2.555 20 10 EFCDHN O=C1[C@H]([NH2+][C@H]2CCc3cccc([O-])c32)CCCN1CC(F)(F)F ZINC000296664373 241094868 /nfs/dbraw/zinc/09/48/68/241094868.db2.gz FLEQSQOGVOKWPX-NWDGAFQWSA-N 0 3 328.334 2.522 20 10 EFCDHN Cc1cc(C(=O)NCCN2CCCCC2)c(C)n1-c1ccccn1 ZINC000298781658 241159438 /nfs/dbraw/zinc/15/94/38/241159438.db2.gz GPUPBNJZILEGEC-UHFFFAOYSA-N 0 3 326.444 2.705 20 10 EFCDHN CC(C)C[C@@H]1OCCC[C@H]1NCC(=O)NCc1ccc(N(C)C)cc1 ZINC000299388054 241176604 /nfs/dbraw/zinc/17/66/04/241176604.db2.gz RIAAITKAMWEJJQ-MOPGFXCFSA-N 0 3 347.503 2.552 20 10 EFCDHN Cc1cccc(C[NH2+][C@@H]2CC(=O)N([C@H]3C[C@H]3c3ccccc3)C2)c1[O-] ZINC000362042071 242240542 /nfs/dbraw/zinc/24/05/42/242240542.db2.gz SYZGMLOCHJASPA-QYZOEREBSA-N 0 3 336.435 2.947 20 10 EFCDHN Cc1cccc(CN[C@@H]2CC(=O)N([C@H]3C[C@H]3c3ccccc3)C2)c1O ZINC000362042071 242240546 /nfs/dbraw/zinc/24/05/46/242240546.db2.gz SYZGMLOCHJASPA-QYZOEREBSA-N 0 3 336.435 2.947 20 10 EFCDHN C[C@@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1)c1cc2c(cc1[O-])CCCC2 ZINC000363866856 242284702 /nfs/dbraw/zinc/28/47/02/242284702.db2.gz JKKIUWOYSHRUEP-RHSMWYFYSA-N 0 3 340.471 2.934 20 10 EFCDHN COc1cc(Br)cc(CN2CCC3(CCO3)CC2)c1O ZINC000367074226 242373551 /nfs/dbraw/zinc/37/35/51/242373551.db2.gz WYAXIXABAKWYGG-UHFFFAOYSA-N 0 3 342.233 2.918 20 10 EFCDHN COc1ccc(CNC(=O)CN[C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000160967090 533586600 /nfs/dbraw/zinc/58/66/00/533586600.db2.gz SDYIDYRRXRDHRV-OAHLLOKOSA-N 0 3 341.455 2.728 20 10 EFCDHN CSCC[C@@H](N)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000167863403 533605219 /nfs/dbraw/zinc/60/52/19/533605219.db2.gz VMWICEHQISAORC-QGZVFWFLSA-N 0 3 335.517 2.620 20 10 EFCDHN C[C@@H]([NH2+]CCCN1CCN(C)CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000192618913 287024886 /nfs/dbraw/zinc/02/48/86/287024886.db2.gz MISARNPRMYGUJK-GFCCVEGCSA-N 0 3 346.302 2.987 20 10 EFCDHN C[C@@H](N[C@@H]1CCCc2c1cnn2CCO)c1ccc(N(C)C)cc1 ZINC000324288016 287058870 /nfs/dbraw/zinc/05/88/70/287058870.db2.gz MPLZNJKHRDVFPQ-RDTXWAMCSA-N 0 3 328.460 2.670 20 10 EFCDHN C[C@@H]([NH2+][C@H](Cc1ccccc1)CN1CCOCC1)c1ccccc1[O-] ZINC000183508470 287064753 /nfs/dbraw/zinc/06/47/53/287064753.db2.gz RDQHBKJVJZNTIY-IEBWSBKVSA-N 0 3 340.467 2.986 20 10 EFCDHN CCOc1cccc(C[N@@H+]2CCC[C@H]2CN2C[C@@H](C)O[C@@H](C)C2)c1[O-] ZINC000092506644 544546557 /nfs/dbraw/zinc/54/65/57/544546557.db2.gz BHISQYYMSXKRPW-JZXOWHBKSA-N 0 3 348.487 2.865 20 10 EFCDHN CCOc1cccc(C[N@H+]2CCC[C@H]2CN2C[C@@H](C)O[C@@H](C)C2)c1[O-] ZINC000092506644 544546559 /nfs/dbraw/zinc/54/65/59/544546559.db2.gz BHISQYYMSXKRPW-JZXOWHBKSA-N 0 3 348.487 2.865 20 10 EFCDHN Oc1cccc(Cl)c1CNCc1cccnc1N1CCOCC1 ZINC000113320365 544569177 /nfs/dbraw/zinc/56/91/77/544569177.db2.gz HFSBGOQIGPOXHU-UHFFFAOYSA-N 0 3 333.819 2.567 20 10 EFCDHN C[C@@H]1C[C@H](NC(=O)N(C)Cc2ccc(N(C)C)cc2)CN1C1CC1 ZINC000127329613 544630252 /nfs/dbraw/zinc/63/02/52/544630252.db2.gz UAPZWUMYSWZKRW-ZBFHGGJFSA-N 0 3 330.476 2.519 20 10 EFCDHN C[C@@H](N[C@H]1CCCc2nn(C)cc21)c1ccc(N2CCOCC2)cc1 ZINC000280091970 278384125 /nfs/dbraw/zinc/38/41/25/278384125.db2.gz MLOMKRBUDDORGP-BEFAXECRSA-N 0 3 340.471 2.985 20 10 EFCDHN COc1ccc([O-])c([C@H](C)[NH2+]C2CCN(C(=O)c3ccco3)CC2)c1 ZINC000184966932 473285707 /nfs/dbraw/zinc/28/57/07/473285707.db2.gz SNLLSWWYFBIFCR-ZDUSSCGKSA-N 0 3 344.411 2.949 20 10 EFCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H](O)CN2CCc3ccccc3C2)c([O-])c1 ZINC000184992276 473295290 /nfs/dbraw/zinc/29/52/90/473295290.db2.gz QXITWZQGZHGGRY-QFBILLFUSA-N 0 3 340.467 2.770 20 10 EFCDHN [O-]c1c(Cl)cc(Cl)cc1CNC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000112839341 473319711 /nfs/dbraw/zinc/31/97/11/473319711.db2.gz BTSQCNXGPWCNHY-CHWSQXEVSA-N 0 3 331.243 2.652 20 10 EFCDHN [O-]c1c(Cl)cc(Cl)cc1CNC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000112839341 473319716 /nfs/dbraw/zinc/31/97/16/473319716.db2.gz BTSQCNXGPWCNHY-CHWSQXEVSA-N 0 3 331.243 2.652 20 10 EFCDHN [O-]c1ccc2ccccc2c1C[NH+]1CCN(C2CCOCC2)CC1 ZINC000083114954 473322334 /nfs/dbraw/zinc/32/23/34/473322334.db2.gz QMERZMVPSIUVRS-UHFFFAOYSA-N 0 3 326.440 2.842 20 10 EFCDHN COc1cccc(C(=O)NCC[NH2+][C@H](C)c2cc(C)ccc2[O-])c1 ZINC000185201141 473360805 /nfs/dbraw/zinc/36/08/05/473360805.db2.gz CYAPOGZSSUDVQP-CQSZACIVSA-N 0 3 328.412 2.790 20 10 EFCDHN COCCN(C)c1ccc(CNCc2ccc(N(C)C)cc2)cn1 ZINC000190698272 473366149 /nfs/dbraw/zinc/36/61/49/473366149.db2.gz YQDUUGSLIWRLAF-UHFFFAOYSA-N 0 3 328.460 2.520 20 10 EFCDHN Cc1ccc([O-])c([C@H](C)[NH2+]CCCNC(=O)c2cccc(O)c2)c1 ZINC000185303609 473390223 /nfs/dbraw/zinc/39/02/23/473390223.db2.gz IUSNHVYEVQFLDQ-AWEZNQCLSA-N 0 3 328.412 2.877 20 10 EFCDHN COc1ccc(OCCN(C)Cc2cc3c(cc2O)OCO3)cc1 ZINC000008036425 471657266 /nfs/dbraw/zinc/65/72/66/471657266.db2.gz LANMDXHRDJGWMW-UHFFFAOYSA-N 0 3 331.368 2.640 20 10 EFCDHN CCCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000068964576 472272581 /nfs/dbraw/zinc/27/25/81/472272581.db2.gz LOWNBKCKAUPAMK-KGLIPLIRSA-N 0 3 348.443 2.638 20 10 EFCDHN CCCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000068964576 472272586 /nfs/dbraw/zinc/27/25/86/472272586.db2.gz LOWNBKCKAUPAMK-KGLIPLIRSA-N 0 3 348.443 2.638 20 10 EFCDHN COc1ccccc1CNCc1ccc(N2CCC(O)CC2)cc1 ZINC000076275589 472311915 /nfs/dbraw/zinc/31/19/15/472311915.db2.gz HYXRFKSOYHCUMU-UHFFFAOYSA-N 0 3 326.440 2.946 20 10 EFCDHN CCN1CCN(c2ccc(CN[C@@H](C)c3cnn(C)c3)cc2F)CC1 ZINC000155285562 472528588 /nfs/dbraw/zinc/52/85/88/472528588.db2.gz MFQDZTGAMGHFGX-HNNXBMFYSA-N 0 3 345.466 2.552 20 10 EFCDHN COc1ccc(N2CCC(NCc3c(C)nn(C)c3C)CC2)cc1 ZINC000102432723 472576979 /nfs/dbraw/zinc/57/69/79/472576979.db2.gz QADWXVREVIDUMM-UHFFFAOYSA-N 0 3 328.460 2.804 20 10 EFCDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H](C)N(C)C1CC1 ZINC000105269204 472739297 /nfs/dbraw/zinc/73/92/97/472739297.db2.gz RULNBBKQQROLTM-HNNXBMFYSA-N 0 3 332.492 2.767 20 10 EFCDHN CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+]Cc1ccccc1[O-] ZINC000105432773 472752817 /nfs/dbraw/zinc/75/28/17/472752817.db2.gz VPBSKHGTVZWFBH-UHFFFAOYSA-N 0 3 348.468 2.510 20 10 EFCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@H]1C[C@H](O)c1ccco1)OCO2 ZINC000091958895 472831483 /nfs/dbraw/zinc/83/14/83/472831483.db2.gz ZLXYXNFARGBQRO-ZFWWWQNUSA-N 0 3 331.368 2.802 20 10 EFCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@H]1C[C@H](O)c1ccco1)OCO2 ZINC000091958895 472831491 /nfs/dbraw/zinc/83/14/91/472831491.db2.gz ZLXYXNFARGBQRO-ZFWWWQNUSA-N 0 3 331.368 2.802 20 10 EFCDHN CCOc1cccc(CN2CCCN(c3nccs3)CC2)c1O ZINC000092482582 472921536 /nfs/dbraw/zinc/92/15/36/472921536.db2.gz IRJXOWZECGBFPA-UHFFFAOYSA-N 0 3 333.457 2.960 20 10 EFCDHN CCCC(=O)NC[C@H]1CCC[N@H+](Cc2cc(OCC)ccc2[O-])C1 ZINC000092707941 472970473 /nfs/dbraw/zinc/97/04/73/472970473.db2.gz TUKMLPFHKGLJLP-OAHLLOKOSA-N 0 3 334.460 2.919 20 10 EFCDHN CCCC(=O)NC[C@H]1CCC[N@@H+](Cc2cc(OCC)ccc2[O-])C1 ZINC000092707941 472970476 /nfs/dbraw/zinc/97/04/76/472970476.db2.gz TUKMLPFHKGLJLP-OAHLLOKOSA-N 0 3 334.460 2.919 20 10 EFCDHN COc1cccc([C@H](C[NH2+]Cc2cccc(OC)c2[O-])N(C)C)c1 ZINC000074314402 472984151 /nfs/dbraw/zinc/98/41/51/472984151.db2.gz ZOMMVXSNTIWHFT-KRWDZBQOSA-N 0 3 330.428 2.802 20 10 EFCDHN COc1cccc(C[NH2+]CCOc2ncccc2C(F)(F)F)c1[O-] ZINC000122906143 473072454 /nfs/dbraw/zinc/07/24/54/473072454.db2.gz CIKTYESOTVNGCQ-UHFFFAOYSA-N 0 3 342.317 2.983 20 10 EFCDHN COc1cccc(CN2CCC(NC(=O)c3ccccc3)CC2)c1O ZINC000123077491 473093831 /nfs/dbraw/zinc/09/38/31/473093831.db2.gz LAFDKTJLSPHKFU-UHFFFAOYSA-N 0 3 340.423 2.795 20 10 EFCDHN NC(=O)c1cccc(CN(Cc2ccccc2O)C[C@H]2CCCO2)c1 ZINC000109761732 473119566 /nfs/dbraw/zinc/11/95/66/473119566.db2.gz XDOLOKYVBHNHJD-GOSISDBHSA-N 0 3 340.423 2.672 20 10 EFCDHN CCOc1ccc([O-])c(C[NH+]2CCC3(CC2)[C@@H](O)C[C@@H]3OCC)c1 ZINC000093614226 473126031 /nfs/dbraw/zinc/12/60/31/473126031.db2.gz YQQPMBRZKFPDRA-ROUUACIJSA-N 0 3 335.444 2.543 20 10 EFCDHN CCCOc1ccc(C[NH+]2CCC(N3CCCNC3=O)CC2)c([O-])c1 ZINC000093669415 473133090 /nfs/dbraw/zinc/13/30/90/473133090.db2.gz FWKZNCNZJPPEFO-UHFFFAOYSA-N 0 3 347.459 2.561 20 10 EFCDHN CCOc1ccc(O)c(CN2CCCN(c3nc(C)ns3)CC2)c1 ZINC000093717137 473136639 /nfs/dbraw/zinc/13/66/39/473136639.db2.gz JRHHGAMHHFIWIY-UHFFFAOYSA-N 0 3 348.472 2.663 20 10 EFCDHN Cc1nsc(N2CCCN(Cc3ccc(N(C)C)cc3)CC2)n1 ZINC000093716595 473136848 /nfs/dbraw/zinc/13/68/48/473136848.db2.gz PBFZPCYMDBKAMG-UHFFFAOYSA-N 0 3 331.489 2.625 20 10 EFCDHN COc1cccc(C[NH+]2CCC(OC[C@H]3CCCCO3)CC2)c1[O-] ZINC000093842361 473153145 /nfs/dbraw/zinc/15/31/45/473153145.db2.gz VIPMHAKRURUITP-QGZVFWFLSA-N 0 3 335.444 2.951 20 10 EFCDHN CCCOc1ccc(CN2CCCN(C(=O)C(C)C)CC2)c(O)c1 ZINC000123596516 473162538 /nfs/dbraw/zinc/16/25/38/473162538.db2.gz XEXXNYWDUOIAHQ-UHFFFAOYSA-N 0 3 334.460 2.871 20 10 EFCDHN [O-]c1cccc(Cl)c1CNC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000136579033 473164820 /nfs/dbraw/zinc/16/48/20/473164820.db2.gz MJXWVFQMCREFFF-SJLPKXTDSA-N 0 3 338.879 2.903 20 10 EFCDHN [O-]c1cccc(Cl)c1C[NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1 ZINC000136579033 473164825 /nfs/dbraw/zinc/16/48/25/473164825.db2.gz MJXWVFQMCREFFF-SJLPKXTDSA-N 0 3 338.879 2.903 20 10 EFCDHN C[C@@H](C[NH2+][C@@H](C)c1cc2c(cc1[O-])CCCC2)CN1CCN(C)CC1 ZINC000185344213 473399903 /nfs/dbraw/zinc/39/99/03/473399903.db2.gz DJXJXAFNGUUZPE-IRXDYDNUSA-N 0 3 345.531 2.805 20 10 EFCDHN CCN1CCN(C[C@H](C)C[NH2+][C@H](C)c2cc(Cl)ccc2[O-])CC1 ZINC000185344976 473401036 /nfs/dbraw/zinc/40/10/36/473401036.db2.gz CZLMUFGOVUOHET-HUUCEWRRSA-N 0 3 339.911 2.970 20 10 EFCDHN C[C@H](C[NH2+][C@@H](C)c1cc2c(cc1[O-])CCCC2)N1CCN(C)CC1 ZINC000185365599 473406461 /nfs/dbraw/zinc/40/64/61/473406461.db2.gz ZRRYAPXZALVFHK-CVEARBPZSA-N 0 3 331.504 2.558 20 10 EFCDHN C[C@@H]([NH2+]C[C@@H](O)COc1ccc(F)c(F)c1)c1cc(F)ccc1[O-] ZINC000185375415 473410147 /nfs/dbraw/zinc/41/01/47/473410147.db2.gz QHWZONQKUBQFLZ-ZYHUDNBSSA-N 0 3 341.329 2.900 20 10 EFCDHN COc1cc(OC)cc([C@H](O)C[NH2+][C@@H](C)c2cc(F)ccc2[O-])c1 ZINC000185487627 473440269 /nfs/dbraw/zinc/44/02/69/473440269.db2.gz ANKPXDAFYUNUKQ-BBATYDOGSA-N 0 3 335.375 2.933 20 10 EFCDHN C[C@H]1CCCN(CCNC(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000125814259 473459879 /nfs/dbraw/zinc/45/98/79/473459879.db2.gz ONLDHYNXFZIXHT-KRWDZBQOSA-N 0 3 342.487 2.594 20 10 EFCDHN COc1ccc(O)c([C@@H](C)NCc2ccccc2CS(C)(=O)=O)c1 ZINC000185649857 473478811 /nfs/dbraw/zinc/47/88/11/473478811.db2.gz OHPYRESBHJGGHP-CYBMUJFWSA-N 0 3 349.452 2.796 20 10 EFCDHN COc1ccc([O-])c([C@@H](C)[NH2+]Cc2ccccc2CS(C)(=O)=O)c1 ZINC000185649857 473478816 /nfs/dbraw/zinc/47/88/16/473478816.db2.gz OHPYRESBHJGGHP-CYBMUJFWSA-N 0 3 349.452 2.796 20 10 EFCDHN Cc1cc(C(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)c(C)n1-c1ccccn1 ZINC000126055541 473482960 /nfs/dbraw/zinc/48/29/60/473482960.db2.gz JLHKCCAKKHAUDS-KBXCAEBGSA-N 0 3 340.471 2.901 20 10 EFCDHN CC[C@@H]([NH2+][C@H](C)c1cc2c(cc1[O-])CCCC2)C(=O)N1CCOCC1 ZINC000185665284 473483009 /nfs/dbraw/zinc/48/30/09/473483009.db2.gz GNUANOKGFZGLHY-RDTXWAMCSA-N 0 3 346.471 2.559 20 10 EFCDHN C[C@@H]([NH2+]Cc1cc2c(cc1[O-])OCO2)[C@@H](c1ccccc1)N(C)C ZINC000185680037 473487396 /nfs/dbraw/zinc/48/73/96/473487396.db2.gz LGNVSDPYPFRQHW-YJYMSZOUSA-N 0 3 328.412 2.902 20 10 EFCDHN COC(=O)COc1cccc(C[NH2+][C@H](C)c2cc(F)ccc2[O-])c1 ZINC000186049814 473579511 /nfs/dbraw/zinc/57/95/11/473579511.db2.gz ICTNXXUSOBWJCD-GFCCVEGCSA-N 0 3 333.359 2.934 20 10 EFCDHN C[C@H](C(=O)N1CCOc2cc(N(C)C)ccc21)[C@@H](N)c1ccccc1 ZINC000178863277 473580670 /nfs/dbraw/zinc/58/06/70/473580670.db2.gz ZZDUFMDUFICLPV-IFXJQAMLSA-N 0 3 339.439 2.814 20 10 EFCDHN C[C@H]([NH2+][C@H]1CCCN(CC(F)(F)F)C1=O)c1cc(F)ccc1[O-] ZINC000186144738 473599698 /nfs/dbraw/zinc/59/96/98/473599698.db2.gz HRVULQDTYMUXDU-CABZTGNLSA-N 0 3 334.313 2.735 20 10 EFCDHN COc1cc(Br)cc(C[NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)c1[O-] ZINC000153011352 473604206 /nfs/dbraw/zinc/60/42/06/473604206.db2.gz GXJBGEWQPGVCRG-UTUOFQBUSA-N 0 3 328.206 2.573 20 10 EFCDHN CN(C)c1ccc(CN(C)C[C@@H](O)COCc2ccccc2)cc1 ZINC000127475939 473617458 /nfs/dbraw/zinc/61/74/58/473617458.db2.gz XNAIPKOVQJNODW-HXUWFJFHSA-N 0 3 328.456 2.762 20 10 EFCDHN C[C@H]1C[C@H](NC(=O)NCc2c(O)ccc3c2CCCC3)CN1C1CC1 ZINC000127564575 473626146 /nfs/dbraw/zinc/62/61/46/473626146.db2.gz OMQYQJCCZBMWKW-ZFWWWQNUSA-N 0 3 343.471 2.695 20 10 EFCDHN CCN(CC)c1ccc(CN2CCC(N3CCNC3=O)CC2)cc1 ZINC000127586675 473630132 /nfs/dbraw/zinc/63/01/32/473630132.db2.gz YWXUZGLYWOTXMU-UHFFFAOYSA-N 0 3 330.476 2.522 20 10 EFCDHN COc1cccc(CN(C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1O ZINC000179472724 473689543 /nfs/dbraw/zinc/68/95/43/473689543.db2.gz SXAMQJQFUPITBB-CQSZACIVSA-N 0 3 336.432 2.842 20 10 EFCDHN Cc1ccc(NC(=O)C2CC[NH+](Cc3ccccc3[O-])CC2)nc1 ZINC000179559340 473694555 /nfs/dbraw/zinc/69/45/55/473694555.db2.gz CQJHLVWRZJFTDW-UHFFFAOYSA-N 0 3 325.412 2.946 20 10 EFCDHN COc1ccc([O-])c(C[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)c1 ZINC000179623721 473699368 /nfs/dbraw/zinc/69/93/68/473699368.db2.gz ANJDEEXKPLCTOK-AWEZNQCLSA-N 0 3 338.411 2.823 20 10 EFCDHN COc1ccc([O-])c(C[N@H+]2CCC[C@H](c3nnc4ccccn43)C2)c1 ZINC000179623721 473699372 /nfs/dbraw/zinc/69/93/72/473699372.db2.gz ANJDEEXKPLCTOK-AWEZNQCLSA-N 0 3 338.411 2.823 20 10 EFCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000179892369 473750353 /nfs/dbraw/zinc/75/03/53/473750353.db2.gz YENBGZQVEOFMMI-CYBMUJFWSA-N 0 3 326.375 2.954 20 10 EFCDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000179892369 473750359 /nfs/dbraw/zinc/75/03/59/473750359.db2.gz YENBGZQVEOFMMI-CYBMUJFWSA-N 0 3 326.375 2.954 20 10 EFCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CCNC(=O)C(C)C)c1[O-] ZINC000186927030 473783178 /nfs/dbraw/zinc/78/31/78/473783178.db2.gz SFLHYKQMCFYLMN-NSHDSACASA-N 0 3 343.265 2.886 20 10 EFCDHN CN1CCC([N@H+](CCO)Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000269365415 473789084 /nfs/dbraw/zinc/78/90/84/473789084.db2.gz QRMCAFYUJQHOFV-UHFFFAOYSA-N 0 3 340.467 2.948 20 10 EFCDHN CN1CCC([N@@H+](CCO)Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000269365415 473789091 /nfs/dbraw/zinc/78/90/91/473789091.db2.gz QRMCAFYUJQHOFV-UHFFFAOYSA-N 0 3 340.467 2.948 20 10 EFCDHN CCN1CCN([C@@H]2CC[N@H+](Cc3cc(Cl)cc(C)c3[O-])C2)CC1 ZINC000180069505 473790411 /nfs/dbraw/zinc/79/04/11/473790411.db2.gz COFSVPPOWABZII-QGZVFWFLSA-N 0 3 337.895 2.566 20 10 EFCDHN CCN1CCN([C@@H]2CC[N@@H+](Cc3cc(Cl)cc(C)c3[O-])C2)CC1 ZINC000180069505 473790415 /nfs/dbraw/zinc/79/04/15/473790415.db2.gz COFSVPPOWABZII-QGZVFWFLSA-N 0 3 337.895 2.566 20 10 EFCDHN CCN(Cc1ccc(OCc2ccccc2)cc1O)[C@@H]1CCNC1=O ZINC000281648739 473793667 /nfs/dbraw/zinc/79/36/67/473793667.db2.gz BIDFHWCTGCOIBF-GOSISDBHSA-N 0 3 340.423 2.682 20 10 EFCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CCCCNC2=O)c1[O-] ZINC000186985271 473795502 /nfs/dbraw/zinc/79/55/02/473795502.db2.gz MCHSXIDGXHTMMV-MFKMUULPSA-N 0 3 341.249 2.782 20 10 EFCDHN Cc1cc(C(=O)NC2(CN(C)C)CCC2)c(C)n1-c1ccccn1 ZINC000281819299 473848404 /nfs/dbraw/zinc/84/84/04/473848404.db2.gz VOMZSXXDTDBRCK-UHFFFAOYSA-N 0 3 326.444 2.703 20 10 EFCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CC2(C)OCCO2)c1[O-] ZINC000187415762 473868929 /nfs/dbraw/zinc/86/89/29/473868929.db2.gz PXYDOQPVFZIQIY-JTQLQIEISA-N 0 3 330.222 2.877 20 10 EFCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CC(C)(C)C(N)=O)c1[O-] ZINC000187417704 473870173 /nfs/dbraw/zinc/87/01/73/473870173.db2.gz YVEFOZTZBJJNDO-VIFPVBQESA-N 0 3 329.238 2.625 20 10 EFCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H](C)C[S@](C)=O)c1[O-] ZINC000187540843 473883793 /nfs/dbraw/zinc/88/37/93/473883793.db2.gz LKISPBIXTZTTJJ-JJQCHNSYSA-N 0 3 334.279 2.881 20 10 EFCDHN C[C@H](NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(F)c(F)c1[O-] ZINC000187726554 473909455 /nfs/dbraw/zinc/90/94/55/473909455.db2.gz JFCASLRJTNCXJC-STQMWFEESA-N 0 3 340.414 2.822 20 10 EFCDHN CCCOc1ccc(C[NH2+][C@H](CO)C[C@@H](O)c2ccccc2)c([O-])c1 ZINC000269914023 473915307 /nfs/dbraw/zinc/91/53/07/473915307.db2.gz IXHKLLVJKQYZLN-PKOBYXMFSA-N 0 3 345.439 2.755 20 10 EFCDHN CC[C@@H]([NH2+]Cc1ccc(N2CCOCC2)nc1)c1ccccc1[O-] ZINC000274957160 474024665 /nfs/dbraw/zinc/02/46/65/474024665.db2.gz WCIDADHHNAXNQK-QGZVFWFLSA-N 0 3 327.428 2.865 20 10 EFCDHN COC(=O)COc1ccc(CN(C)Cc2cc(OC)ccc2O)cc1 ZINC000274990923 474032518 /nfs/dbraw/zinc/03/25/18/474032518.db2.gz YZIHPPRDKJGLFB-UHFFFAOYSA-N 0 3 345.395 2.585 20 10 EFCDHN CCOC(=O)C[C@](C)([NH2+]Cc1cc(OC)c(OC)cc1[O-])C(C)C ZINC000274992979 474033836 /nfs/dbraw/zinc/03/38/36/474033836.db2.gz ZMKRORUQHGZIDZ-SFHVURJKSA-N 0 3 339.432 2.867 20 10 EFCDHN COCCN1CC[C@H]([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000264611853 474059299 /nfs/dbraw/zinc/05/92/99/474059299.db2.gz PRAOAFJKPNSHMH-IBGZPJMESA-N 0 3 326.440 2.870 20 10 EFCDHN C[C@@H]([NH2+]CCS(=O)(=O)CCc1ccccc1)c1ccccc1[O-] ZINC000282473417 474079813 /nfs/dbraw/zinc/07/98/13/474079813.db2.gz LVRTWLZKJMMRHW-OAHLLOKOSA-N 0 3 333.453 2.700 20 10 EFCDHN CN1CCN(CC[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CC1(C)C ZINC000282522708 474096745 /nfs/dbraw/zinc/09/67/45/474096745.db2.gz YJLYYYLOUWYPQJ-UHFFFAOYSA-N 0 3 346.302 2.815 20 10 EFCDHN CCCOc1ccc(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@H]2O)c([O-])c1 ZINC000282649634 474142398 /nfs/dbraw/zinc/14/23/98/474142398.db2.gz HTRAVFSBRMDIQH-LPHOPBHVSA-N 0 3 349.471 2.838 20 10 EFCDHN COC(=O)[C@]1(C)C[N@H+](Cc2cc(Cl)cc(OC)c2[O-])C[C@H]1C ZINC000282665227 474149286 /nfs/dbraw/zinc/14/92/86/474149286.db2.gz HBYVAWSBYSYTDF-QLJPJBMISA-N 0 3 327.808 2.685 20 10 EFCDHN COC(=O)[C@]1(C)C[N@@H+](Cc2cc(Cl)cc(OC)c2[O-])C[C@H]1C ZINC000282665227 474149292 /nfs/dbraw/zinc/14/92/92/474149292.db2.gz HBYVAWSBYSYTDF-QLJPJBMISA-N 0 3 327.808 2.685 20 10 EFCDHN COc1ccc(O)c([C@H](C)N[C@@H]2CCN(c3ccccc3F)C2=O)c1 ZINC000182412933 474169582 /nfs/dbraw/zinc/16/95/82/474169582.db2.gz PUSYPUWEXZZRHD-BLLLJJGKSA-N 0 3 344.386 2.996 20 10 EFCDHN COc1ccc(CN[C@H]2CCO[C@@H]2c2c(C)nn(C)c2C)cc1C ZINC000275395214 474170237 /nfs/dbraw/zinc/17/02/37/474170237.db2.gz ZVQKCOPZXQAVAA-LPHOPBHVSA-N 0 3 329.444 2.974 20 10 EFCDHN COc1cccc(CNCc2c(C)nn(-c3ccccn3)c2C)c1O ZINC000289183259 474175496 /nfs/dbraw/zinc/17/54/96/474175496.db2.gz ASMORVWTBZVGJM-UHFFFAOYSA-N 0 3 338.411 2.888 20 10 EFCDHN CN(CC[N@H+](C)C1CCN(C)CC1)Cc1cccc(Cl)c1[O-] ZINC000289189742 474176974 /nfs/dbraw/zinc/17/69/74/474176974.db2.gz BFYKGXUOZKCOBP-UHFFFAOYSA-N 0 3 325.884 2.503 20 10 EFCDHN CN(CC[N@@H+](C)C1CCN(C)CC1)Cc1cccc(Cl)c1[O-] ZINC000289189742 474176982 /nfs/dbraw/zinc/17/69/82/474176982.db2.gz BFYKGXUOZKCOBP-UHFFFAOYSA-N 0 3 325.884 2.503 20 10 EFCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@H](O)COc2ccc(F)cc2)c1 ZINC000182457630 474181347 /nfs/dbraw/zinc/18/13/47/474181347.db2.gz QYMUBVKWQFIILC-GXTWGEPZSA-N 0 3 335.375 2.630 20 10 EFCDHN CCCOc1ccc(C[NH2+][C@H]2CCCO[C@@H]2c2nccn2C)c([O-])c1 ZINC000275438580 474185341 /nfs/dbraw/zinc/18/53/41/474185341.db2.gz FSDUMTFGWCRIPX-WMZOPIPTSA-N 0 3 345.443 2.924 20 10 EFCDHN CCN(CC)c1ccc(CN[C@H]2CCCC[C@H]2S(C)(=O)=O)cc1 ZINC000182501367 474191854 /nfs/dbraw/zinc/19/18/54/474191854.db2.gz PNVJRECKEUFQGR-ZWKOTPCHSA-N 0 3 338.517 2.978 20 10 EFCDHN COc1cc(Cl)cc(C[NH2+]CC2(S(C)(=O)=O)CCCC2)c1[O-] ZINC000289247875 474196009 /nfs/dbraw/zinc/19/60/09/474196009.db2.gz FAIFYJQZBKIEAW-UHFFFAOYSA-N 0 3 347.864 2.501 20 10 EFCDHN CN(C)c1ccc(CNC(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)cc1F ZINC000182524383 474196506 /nfs/dbraw/zinc/19/65/06/474196506.db2.gz STWBJCOOGUNONK-NVXWUHKLSA-N 0 3 348.466 2.517 20 10 EFCDHN COc1ccc(N2CCN(CCCn3ccnc3C)CC2)cc1F ZINC000270650041 474205503 /nfs/dbraw/zinc/20/55/03/474205503.db2.gz OOTXJWVEDNRPMP-UHFFFAOYSA-N 0 3 332.423 2.552 20 10 EFCDHN CN1CCCc2cc(CN[C@H]3CCCC[C@@H]3S(C)(=O)=O)ccc21 ZINC000182684911 474233758 /nfs/dbraw/zinc/23/37/58/474233758.db2.gz LWEAWEMRFFHONR-WMZOPIPTSA-N 0 3 336.501 2.514 20 10 EFCDHN COc1cccc(C[NH2+][C@H](C)Cn2cc(Br)cn2)c1[O-] ZINC000289381437 474246656 /nfs/dbraw/zinc/24/66/56/474246656.db2.gz CNVIDSBPWDDYKV-SNVBAGLBSA-N 0 3 340.221 2.538 20 10 EFCDHN CCNC(=O)OC[C@H]1CCCCN1Cc1cccc(OCC)c1O ZINC000289400610 474255173 /nfs/dbraw/zinc/25/51/73/474255173.db2.gz OPCXHLQCYRBUAT-OAHLLOKOSA-N 0 3 336.432 2.892 20 10 EFCDHN CCOc1cccc(C[NH2+][C@H]2CCO[C@@H]2c2nccn2CC)c1[O-] ZINC000275639481 474261268 /nfs/dbraw/zinc/26/12/68/474261268.db2.gz SUHXOYSOOGQZAG-YOEHRIQHSA-N 0 3 331.416 2.627 20 10 EFCDHN COCCNC(=O)[C@H](CC(C)C)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000183336007 474373932 /nfs/dbraw/zinc/37/39/32/474373932.db2.gz FKXAMXTVTAOHCZ-YJBOKZPZSA-N 0 3 335.492 2.581 20 10 EFCDHN CCOC(=O)CC1CCN(Cc2cc(OC)c(OC)cc2O)CC1 ZINC000271067463 474394393 /nfs/dbraw/zinc/39/43/93/474394393.db2.gz CWLTULDPPMNFQP-UHFFFAOYSA-N 0 3 337.416 2.575 20 10 EFCDHN CCOC(=O)CC1CC[NH+](Cc2cc(OC)c(OC)cc2[O-])CC1 ZINC000271067463 474394401 /nfs/dbraw/zinc/39/44/01/474394401.db2.gz CWLTULDPPMNFQP-UHFFFAOYSA-N 0 3 337.416 2.575 20 10 EFCDHN COCCC[N@H+](CCO)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000276039579 474397421 /nfs/dbraw/zinc/39/74/21/474397421.db2.gz SMGMHFIXKRINSV-UHFFFAOYSA-N 0 3 345.439 2.802 20 10 EFCDHN COCCC[N@@H+](CCO)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000276039579 474397428 /nfs/dbraw/zinc/39/74/28/474397428.db2.gz SMGMHFIXKRINSV-UHFFFAOYSA-N 0 3 345.439 2.802 20 10 EFCDHN COc1ccc(CN2CC[C@H]([NH2+][C@@H](C)c3ccccc3[O-])C2=O)cc1 ZINC000183606383 474399284 /nfs/dbraw/zinc/39/92/84/474399284.db2.gz WHKWLRYCKNWNIW-KSSFIOAISA-N 0 3 340.423 2.853 20 10 EFCDHN COC[C@]1(C[NH2+]Cc2cccc(OC)c2[O-])OCCc2ccccc21 ZINC000289773732 474421555 /nfs/dbraw/zinc/42/15/55/474421555.db2.gz IZNGXRPDWKIODM-FQEVSTJZSA-N 0 3 343.423 2.605 20 10 EFCDHN C[C@@H](Cn1cccn1)N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000271460612 474557156 /nfs/dbraw/zinc/55/71/56/474557156.db2.gz JZKFPNLZKQYDMG-GJZGRUSLSA-N 0 3 332.423 2.598 20 10 EFCDHN CCCOc1ccc(C[N@@H+]2CC[C@@H](C(=O)N3CCCC3)C2)c([O-])c1 ZINC000290425279 474570481 /nfs/dbraw/zinc/57/04/81/474570481.db2.gz LAWTUJZCLSVMHU-MRXNPFEDSA-N 0 3 332.444 2.625 20 10 EFCDHN CCCOc1ccc(C[N@H+]2CC[C@@H](C(=O)N3CCCC3)C2)c([O-])c1 ZINC000290425279 474570487 /nfs/dbraw/zinc/57/04/87/474570487.db2.gz LAWTUJZCLSVMHU-MRXNPFEDSA-N 0 3 332.444 2.625 20 10 EFCDHN C[C@@H]1CN(C)CC[C@@H]1[N@H+](C)Cc1cc(Br)ccc1[O-] ZINC000290525516 474575866 /nfs/dbraw/zinc/57/58/66/474575866.db2.gz QGZHHFNTOOEGLG-RISCZKNCSA-N 0 3 327.266 2.927 20 10 EFCDHN C[C@@H]1CN(C)CC[C@@H]1[N@@H+](C)Cc1cc(Br)ccc1[O-] ZINC000290525516 474575872 /nfs/dbraw/zinc/57/58/72/474575872.db2.gz QGZHHFNTOOEGLG-RISCZKNCSA-N 0 3 327.266 2.927 20 10 EFCDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](C3OCCO3)C2)c1[O-] ZINC000184687358 474585303 /nfs/dbraw/zinc/58/53/03/474585303.db2.gz CUHZJVHALCTFOK-LLVKDONJSA-N 0 3 327.808 2.639 20 10 EFCDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@@H](C3OCCO3)C2)c1[O-] ZINC000184687358 474585306 /nfs/dbraw/zinc/58/53/06/474585306.db2.gz CUHZJVHALCTFOK-LLVKDONJSA-N 0 3 327.808 2.639 20 10 EFCDHN Cc1cc(C)c([C@H](C)[NH2+]CCc2ccc(S(N)(=O)=O)cc2)c([O-])c1 ZINC000284164755 474586293 /nfs/dbraw/zinc/58/62/93/474586293.db2.gz PZQDKNGMJBTMFK-AWEZNQCLSA-N 0 3 348.468 2.550 20 10 EFCDHN Cc1cc(C)c([C@@H](C)[NH2+]CCc2ccc(S(N)(=O)=O)cc2)c([O-])c1 ZINC000284164757 474586599 /nfs/dbraw/zinc/58/65/99/474586599.db2.gz PZQDKNGMJBTMFK-CQSZACIVSA-N 0 3 348.468 2.550 20 10 EFCDHN COc1cc([O-])c(C[NH2+][C@H]2COc3c(C)cccc3C2)cc1OC ZINC000291000860 474589878 /nfs/dbraw/zinc/58/98/78/474589878.db2.gz VYHPWKBVSFVYFJ-OAHLLOKOSA-N 0 3 329.396 2.811 20 10 EFCDHN COc1cc([O-])c(C[NH2+][C@H]2CCO[C@@]3(CCSC3)C2)cc1OC ZINC000271789950 474590972 /nfs/dbraw/zinc/59/09/72/474590972.db2.gz GNPCXUKFASADDW-GUYCJALGSA-N 0 3 339.457 2.554 20 10 EFCDHN COc1cc(O)c(CN(C)C[C@@H]2COc3ccccc3O2)cc1OC ZINC000271835179 474595878 /nfs/dbraw/zinc/59/58/78/474595878.db2.gz RWAUCRYGXOTEMY-CQSZACIVSA-N 0 3 345.395 2.681 20 10 EFCDHN Cc1cc(Br)cc(CN2C[C@@H]3CCC[NH2+][C@@H]3C2)c1[O-] ZINC000271843570 474597000 /nfs/dbraw/zinc/59/70/00/474597000.db2.gz QSGLBZSEFMAXPB-SMDDNHRTSA-N 0 3 325.250 2.647 20 10 EFCDHN COc1c([O-])c(CN2CC[C@H](C[NH+]3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000278202667 474603612 /nfs/dbraw/zinc/60/36/12/474603612.db2.gz JGBYLQQFIWMFKO-CQSZACIVSA-N 0 3 349.431 2.617 20 10 EFCDHN C[C@H]([NH2+]C[C@@H](O)CN1CCCC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000278244755 474603867 /nfs/dbraw/zinc/60/38/67/474603867.db2.gz LUNIBVPHMIQTDJ-WDEREUQCSA-N 0 3 333.259 2.806 20 10 EFCDHN C[C@H](NC[C@@H](O)C[NH+]1CCCC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000278244755 474603870 /nfs/dbraw/zinc/60/38/70/474603870.db2.gz LUNIBVPHMIQTDJ-WDEREUQCSA-N 0 3 333.259 2.806 20 10 EFCDHN COc1ccc(O)c(CN2CCC(Oc3ncccc3F)CC2)c1 ZINC000278235134 474604204 /nfs/dbraw/zinc/60/42/04/474604204.db2.gz KULBWUYUYNJFSW-UHFFFAOYSA-N 0 3 332.375 2.978 20 10 EFCDHN [O-]c1ccc(F)cc1C[NH2+]Cc1ccnc(OC2CCOCC2)c1 ZINC000272349177 474608358 /nfs/dbraw/zinc/60/83/58/474608358.db2.gz CYXZTGRPAVNPSS-UHFFFAOYSA-N 0 3 332.375 2.774 20 10 EFCDHN C[C@@H]1CN(CC2CC[NH+](Cc3cccc(F)c3[O-])CC2)C[C@@H](C)O1 ZINC000272312909 474608528 /nfs/dbraw/zinc/60/85/28/474608528.db2.gz SALGQLYBCVUVOC-HUUCEWRRSA-N 0 3 336.451 2.853 20 10 EFCDHN CN(Cc1ccc(CO)cc1)Cc1ccc(N2CCOCC2)cc1 ZINC000272385472 474609589 /nfs/dbraw/zinc/60/95/89/474609589.db2.gz WURRXRJDEZUZMP-UHFFFAOYSA-N 0 3 326.440 2.648 20 10 EFCDHN Oc1cc2c(cc1CN1CC[C@]3(C1)OCc1ccccc13)OCO2 ZINC000184812044 474612356 /nfs/dbraw/zinc/61/23/56/474612356.db2.gz HGBLTDODRDYRRF-LJQANCHMSA-N 0 3 325.364 2.752 20 10 EFCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@]3(C1)OCc1ccccc13)OCO2 ZINC000184812044 474612360 /nfs/dbraw/zinc/61/23/60/474612360.db2.gz HGBLTDODRDYRRF-LJQANCHMSA-N 0 3 325.364 2.752 20 10 EFCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@]3(C1)OCc1ccccc13)OCO2 ZINC000184812044 474612364 /nfs/dbraw/zinc/61/23/64/474612364.db2.gz HGBLTDODRDYRRF-LJQANCHMSA-N 0 3 325.364 2.752 20 10 EFCDHN CN1CC[C@H]2CCN(C(=O)NCc3ccc(N4CCCC4)cc3)[C@@H]2C1 ZINC000272473893 474612595 /nfs/dbraw/zinc/61/25/95/474612595.db2.gz QOAICCMRXPWCBN-PKOBYXMFSA-N 0 3 342.487 2.522 20 10 EFCDHN Oc1cc2c(cc1CN1CCC(OC[C@H]3CCCCO3)CC1)OCO2 ZINC000267413697 474668553 /nfs/dbraw/zinc/66/85/53/474668553.db2.gz QXEFFACJCVKYLR-MRXNPFEDSA-N 0 3 349.427 2.671 20 10 EFCDHN Cc1cc(CNCc2cc(C)c(C)cc2O)nc(N2CCCC2)n1 ZINC000292876553 474690677 /nfs/dbraw/zinc/69/06/77/474690677.db2.gz XBMYXSOCBFXJRX-UHFFFAOYSA-N 0 3 326.444 2.997 20 10 EFCDHN COC[C@H](C[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-])OC ZINC000273127152 474732109 /nfs/dbraw/zinc/73/21/09/474732109.db2.gz AVDZBIDRXRKWND-SFHVURJKSA-N 0 3 331.412 2.722 20 10 EFCDHN CCN(CC)c1ccc(CNC(=O)N2CC[C@@]3(CCN(C)C3)C2)cc1 ZINC000291938988 474763668 /nfs/dbraw/zinc/76/36/68/474763668.db2.gz MSLHSOBLQCSZBG-HXUWFJFHSA-N 0 3 344.503 2.770 20 10 EFCDHN COc1ccc(O)c(CN2CCC[C@H](Oc3ncccc3F)C2)c1 ZINC000278721014 474796007 /nfs/dbraw/zinc/79/60/07/474796007.db2.gz QLXBVEFGEYNVBO-HNNXBMFYSA-N 0 3 332.375 2.978 20 10 EFCDHN COCCC(=O)N1CCC([NH2+][C@@H](C)c2c(C)cc(C)cc2[O-])CC1 ZINC000284869360 474806751 /nfs/dbraw/zinc/80/67/51/474806751.db2.gz AVSJUIGIWSDAFQ-HNNXBMFYSA-N 0 3 334.460 2.687 20 10 EFCDHN C[C@H]1C[C@@H](NC(=O)NCc2ccccc2O)CN1Cc1ccccc1 ZINC000268119847 474809242 /nfs/dbraw/zinc/80/92/42/474809242.db2.gz MCAGSICWWIKHRW-MAUKXSAKSA-N 0 3 339.439 2.854 20 10 EFCDHN COc1c([O-])c(C[NH2+]C2CCN(C(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000278827002 474857020 /nfs/dbraw/zinc/85/70/20/474857020.db2.gz IGBMXNPYJSSSOW-UHFFFAOYSA-N 0 3 337.420 2.662 20 10 EFCDHN COc1c([O-])c(CNC2CC[NH+](C(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000278827002 474857028 /nfs/dbraw/zinc/85/70/28/474857028.db2.gz IGBMXNPYJSSSOW-UHFFFAOYSA-N 0 3 337.420 2.662 20 10 EFCDHN Cc1cc(CN2CCN(CC3CCOCC3)CC2)ccc1N(C)C ZINC000293308276 474919195 /nfs/dbraw/zinc/91/91/95/474919195.db2.gz ZYOAVWLZGOOZPH-UHFFFAOYSA-N 0 3 331.504 2.605 20 10 EFCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCCN(Cc3ccccn3)C2=O)c1 ZINC000273480498 474921954 /nfs/dbraw/zinc/92/19/54/474921954.db2.gz UKNCUMJANNIFRR-MAUKXSAKSA-N 0 3 339.439 2.937 20 10 EFCDHN Cc1ccc(O)c([C@H](C)N[C@@H]2CCCN(Cc3ccccn3)C2=O)c1 ZINC000273480498 474921963 /nfs/dbraw/zinc/92/19/63/474921963.db2.gz UKNCUMJANNIFRR-MAUKXSAKSA-N 0 3 339.439 2.937 20 10 EFCDHN CCN1CCN(C[C@H](C)C[NH2+][C@H](C)c2ccc(C)c(C)c2[O-])CC1 ZINC000273563858 474964640 /nfs/dbraw/zinc/96/46/40/474964640.db2.gz IXVIIHVLBBVLGH-CRAIPNDOSA-N 0 3 333.520 2.933 20 10 EFCDHN COc1ccc([O-])c([C@H](C)[NH2+]CC2(N3CCCC3)CCOCC2)c1 ZINC000273594137 474981222 /nfs/dbraw/zinc/98/12/22/474981222.db2.gz QASZGOHLSWNXTF-HNNXBMFYSA-N 0 3 334.460 2.696 20 10 EFCDHN CC[C@H]([NH2+][C@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc(C)cc1[O-] ZINC000280075601 475008173 /nfs/dbraw/zinc/00/81/73/475008173.db2.gz LJLUQYIOMNDYNH-HOTGVXAUSA-N 0 3 342.443 2.670 20 10 EFCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]C[C@H](CO)[C@@H]1CCOC1 ZINC000280206899 475014246 /nfs/dbraw/zinc/01/42/46/475014246.db2.gz FIVQBXANZDSYSO-IEBWSBKVSA-N 0 3 327.424 2.794 20 10 EFCDHN CC[C@H]([NH2+][C@H]1CCN(c2cc(C)nn2C)C1=O)c1ccc(C)cc1[O-] ZINC000280247384 475015869 /nfs/dbraw/zinc/01/58/69/475015869.db2.gz WIVRWVDVLVBOOL-HOTGVXAUSA-N 0 3 342.443 2.589 20 10 EFCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H](N2CCOCC2)C(F)(F)F)c([O-])c1 ZINC000285636299 475034927 /nfs/dbraw/zinc/03/49/27/475034927.db2.gz KRDLEOLCFYVXGI-IUODEOHRSA-N 0 3 332.366 2.614 20 10 EFCDHN Cc1noc(CCC[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)n1 ZINC000268623459 475037331 /nfs/dbraw/zinc/03/73/31/475037331.db2.gz BXFGPNRTZDCRBC-MRXNPFEDSA-N 0 3 331.416 2.697 20 10 EFCDHN Cc1noc(CCC[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)n1 ZINC000268623459 475037338 /nfs/dbraw/zinc/03/73/38/475037338.db2.gz BXFGPNRTZDCRBC-MRXNPFEDSA-N 0 3 331.416 2.697 20 10 EFCDHN C[C@H](NC[C@H](N1CCOCC1)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000285718261 475039430 /nfs/dbraw/zinc/03/94/30/475039430.db2.gz PXTPBRZVOANWHU-BBRMVZONSA-N 0 3 345.409 2.666 20 10 EFCDHN CC[C@H]([NH2+]C[C@H](C(C)C)N1CCN(C)CC1)c1ccc(F)cc1[O-] ZINC000285760307 475040272 /nfs/dbraw/zinc/04/02/72/475040272.db2.gz SDCQUKHQEDEIHA-ZWKOTPCHSA-N 0 3 337.483 2.844 20 10 EFCDHN C[C@@H](N[C@@H]1CCCc2c1cnn2C)c1ccc(N2CCOCC2)cc1 ZINC000268800301 475042189 /nfs/dbraw/zinc/04/21/89/475042189.db2.gz HJTUGUUYSQBWAF-DNVCBOLYSA-N 0 3 340.471 2.985 20 10 EFCDHN CC[C@H]([NH2+]Cc1cc(Cl)cc(OC)c1[O-])[C@@H](O)C(F)(F)F ZINC000273761853 475046497 /nfs/dbraw/zinc/04/64/97/475046497.db2.gz PFZWXDHIUZVKBF-JOYOIKCWSA-N 0 3 327.730 2.846 20 10 EFCDHN [O-]c1ccc(Br)cc1C[NH+]1CCC2(CC1)OCCCO2 ZINC000293717630 475048423 /nfs/dbraw/zinc/04/84/23/475048423.db2.gz SYYLWKIAMATMOI-UHFFFAOYSA-N 0 3 342.233 2.884 20 10 EFCDHN CC[C@@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cnn(C)c1 ZINC000268885552 475052488 /nfs/dbraw/zinc/05/24/88/475052488.db2.gz YUKHTYALUVMASV-GOSISDBHSA-N 0 3 346.450 2.761 20 10 EFCDHN CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)Cc1ccc(N)cc1 ZINC000286256393 475057764 /nfs/dbraw/zinc/05/77/64/475057764.db2.gz VJMUADRZDDGNCN-UHFFFAOYSA-N 0 3 347.409 2.680 20 10 EFCDHN COc1cccc(C[NH2+][C@H](C)C2CN(C(=O)OC(C)(C)C)C2)c1[O-] ZINC000293927776 475058037 /nfs/dbraw/zinc/05/80/37/475058037.db2.gz NEQIUXKQUTWSDO-GFCCVEGCSA-N 0 3 336.432 2.746 20 10 EFCDHN C[C@@H](NCC1(S(C)(=O)=O)CC1)c1ccc(N2CCCCC2)cc1 ZINC000280956858 475059314 /nfs/dbraw/zinc/05/93/14/475059314.db2.gz KDZOPIBDYIOKND-OAHLLOKOSA-N 0 3 336.501 2.905 20 10 EFCDHN C[C@H](NCC1(S(C)(=O)=O)CC1)c1ccc(N2CCCCC2)cc1 ZINC000280956855 475060422 /nfs/dbraw/zinc/06/04/22/475060422.db2.gz KDZOPIBDYIOKND-HNNXBMFYSA-N 0 3 336.501 2.905 20 10 EFCDHN C[C@H](NC[C@@H]1CN(C)CCN1C)c1ccc(N2CCCCCC2)cc1 ZINC000268908159 475064936 /nfs/dbraw/zinc/06/49/36/475064936.db2.gz MGMUQTUYROGGTM-GHTZIAJQSA-N 0 3 344.547 2.963 20 10 EFCDHN CN(C)c1ccc(C[NH+]2CCC(C[N-]C(=O)C(F)(F)F)CC2)cc1 ZINC000281140854 475088775 /nfs/dbraw/zinc/08/87/75/475088775.db2.gz DTDWWORXUSDHRH-UHFFFAOYSA-N 0 3 343.393 2.643 20 10 EFCDHN Cn1cc([C@@H]2C[N@H+](Cc3cc(F)ccc3[O-])CC23CCOCC3)cn1 ZINC000295005511 475097728 /nfs/dbraw/zinc/09/77/28/475097728.db2.gz LPXWQGKSOOGODB-KRWDZBQOSA-N 0 3 345.418 2.661 20 10 EFCDHN Cn1cc([C@@H]2C[N@@H+](Cc3cc(F)ccc3[O-])CC23CCOCC3)cn1 ZINC000295005511 475097738 /nfs/dbraw/zinc/09/77/38/475097738.db2.gz LPXWQGKSOOGODB-KRWDZBQOSA-N 0 3 345.418 2.661 20 10 EFCDHN CCN1CCN(c2ccc(CN[C@@H]3C[C@H](C)O[C@@H]3C)cc2F)CC1 ZINC000295270900 475117677 /nfs/dbraw/zinc/11/76/77/475117677.db2.gz VPRUCSUTAPJSDU-HDMKZQKVSA-N 0 3 335.467 2.623 20 10 EFCDHN COc1cc([N+](=O)[O-])c(N2CC[C@]3(C2)CCCN(C)C3)cc1OC ZINC000292642162 475131790 /nfs/dbraw/zinc/13/17/90/475131790.db2.gz AZXMGWCOQZNJGM-QGZVFWFLSA-N 0 3 335.404 2.534 20 10 EFCDHN COc1cc([O-])c(C[NH2+][C@@H]2CCN(c3ccccc3F)C2)cc1OC ZINC000292770249 475190806 /nfs/dbraw/zinc/19/08/06/475190806.db2.gz KJXHKSCFXZVAOL-CQSZACIVSA-N 0 3 346.402 2.917 20 10 EFCDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@H]2CCCN(C(=O)N3CCCC3)C2)c1 ZINC000287563186 475197453 /nfs/dbraw/zinc/19/74/53/475197453.db2.gz QGGSZDJCPLGYGQ-CABCVRRESA-N 0 3 347.459 2.732 20 10 EFCDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCCN(C(=O)N3CCCC3)C2)c1 ZINC000287563204 475197514 /nfs/dbraw/zinc/19/75/14/475197514.db2.gz QGGSZDJCPLGYGQ-HUUCEWRRSA-N 0 3 347.459 2.732 20 10 EFCDHN Cc1c2ccccc2n(C)c1CNC(=O)N(C)CCN(C)C1CC1 ZINC000350246366 476106588 /nfs/dbraw/zinc/10/65/88/476106588.db2.gz GCIFNAKZSXJRIA-UHFFFAOYSA-N 0 3 328.460 2.722 20 10 EFCDHN CCCN(Cc1ccccc1O)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000299639542 476147225 /nfs/dbraw/zinc/14/72/25/476147225.db2.gz MOIJVABWSQQXTM-UHFFFAOYSA-N 0 3 343.383 2.812 20 10 EFCDHN Cc1ccc([C@@H](C)N[C@@H]2CCCN(c3ccn(C)n3)C2=O)c(O)c1C ZINC000359878972 476269624 /nfs/dbraw/zinc/26/96/24/476269624.db2.gz YPKDOACRGXVHRC-GDBMZVCRSA-N 0 3 342.443 2.589 20 10 EFCDHN C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2C(N)=O)C1)c1cc(F)ccc1[O-] ZINC000373256667 476389123 /nfs/dbraw/zinc/38/91/23/476389123.db2.gz QVZGIXRCJUUORW-TZMCWYRMSA-N 0 3 343.402 2.560 20 10 EFCDHN COC(=O)[C@@H]1C[N@H+](Cc2cccc(OC)c2[O-])C[C@H]1c1ccccc1 ZINC000369703119 476486303 /nfs/dbraw/zinc/48/63/03/476486303.db2.gz LRXNGNVSKFWIKS-DLBZAZTESA-N 0 3 341.407 2.789 20 10 EFCDHN COC(=O)[C@@H]1C[N@@H+](Cc2cccc(OC)c2[O-])C[C@H]1c1ccccc1 ZINC000369703119 476486306 /nfs/dbraw/zinc/48/63/06/476486306.db2.gz LRXNGNVSKFWIKS-DLBZAZTESA-N 0 3 341.407 2.789 20 10 EFCDHN Cc1cc(Br)cc(C[NH2+][C@@H]2CCc3c[nH]nc3C2)c1[O-] ZINC000378451758 476710045 /nfs/dbraw/zinc/71/00/45/476710045.db2.gz FRGPUZLANUFZMF-CYBMUJFWSA-N 0 3 336.233 2.833 20 10 EFCDHN CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(OC)c2[O-])[C@]12CCCO2 ZINC000375205733 476717396 /nfs/dbraw/zinc/71/73/96/476717396.db2.gz FKKCZQJTXLXSLF-BFYDXBDKSA-N 0 3 341.835 2.870 20 10 EFCDHN CCO[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(OC)c2[O-])[C@@]12CCCO2 ZINC000375205737 476717552 /nfs/dbraw/zinc/71/75/52/476717552.db2.gz FKKCZQJTXLXSLF-UXLLHSPISA-N 0 3 341.835 2.870 20 10 EFCDHN COc1ccc(N2CCC(NCc3ccnc(OC)c3)CC2)cc1 ZINC000370676339 476928099 /nfs/dbraw/zinc/92/80/99/476928099.db2.gz JRMBHEDPQQHMRN-UHFFFAOYSA-N 0 3 327.428 2.857 20 10 EFCDHN C[C@H]1C[N@H+](Cc2cc(Cl)ccc2[O-])CC[C@@H]1N1CCN(C)CC1 ZINC000370705985 476943008 /nfs/dbraw/zinc/94/30/08/476943008.db2.gz KRZKKTPBJVOFOT-YOEHRIQHSA-N 0 3 337.895 2.503 20 10 EFCDHN C[C@H]1C[N@@H+](Cc2cc(Cl)ccc2[O-])CC[C@@H]1N1CCN(C)CC1 ZINC000370705985 476943016 /nfs/dbraw/zinc/94/30/16/476943016.db2.gz KRZKKTPBJVOFOT-YOEHRIQHSA-N 0 3 337.895 2.503 20 10 EFCDHN C[C@H]1C[N@H+](Cc2cc(Cl)ccc2[O-])CC[C@H]1N1CCN(C)CC1 ZINC000370705984 476944285 /nfs/dbraw/zinc/94/42/85/476944285.db2.gz KRZKKTPBJVOFOT-WMLDXEAASA-N 0 3 337.895 2.503 20 10 EFCDHN C[C@H]1C[N@@H+](Cc2cc(Cl)ccc2[O-])CC[C@H]1N1CCN(C)CC1 ZINC000370705984 476944286 /nfs/dbraw/zinc/94/42/86/476944286.db2.gz KRZKKTPBJVOFOT-WMLDXEAASA-N 0 3 337.895 2.503 20 10 EFCDHN CCn1cc(CCN2CCCN(c3ccc(OC)cc3)CC2)cn1 ZINC000375702372 476962857 /nfs/dbraw/zinc/96/28/57/476962857.db2.gz SKJXXTUOAULXII-UHFFFAOYSA-N 0 3 328.460 2.666 20 10 EFCDHN Nc1ccc(CC(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC000370763438 476973577 /nfs/dbraw/zinc/97/35/77/476973577.db2.gz KTUCPMDOPUGHNQ-LJQANCHMSA-N 0 3 337.467 2.840 20 10 EFCDHN C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)Cc1ccc(N)cc1 ZINC000370773179 476978407 /nfs/dbraw/zinc/97/84/07/476978407.db2.gz MZPQRPPFRRYJKE-OXQOHEQNSA-N 0 3 337.467 2.838 20 10 EFCDHN COc1cc(O)c(CN2CCC[C@H]2c2cn(C)nc2C)cc1OC ZINC000371360432 477265763 /nfs/dbraw/zinc/26/57/63/477265763.db2.gz GPYLBTYFJSHOMA-HNNXBMFYSA-N 0 3 331.416 2.788 20 10 EFCDHN Cc1ncsc1/C=C/C(=O)N1C[C@@H](CN(C)C)Oc2ccccc21 ZINC000372379708 477780704 /nfs/dbraw/zinc/78/07/04/477780704.db2.gz HUIOJHSLPPBFGM-MYSGNRETSA-N 0 3 343.452 2.821 20 10 EFCDHN Cc1cc(Br)cc(CN2CC[C@]3(CC[N@@H+](C)C3)C2)c1[O-] ZINC000368319897 477798247 /nfs/dbraw/zinc/79/82/47/477798247.db2.gz ZGWVFGHUKIMZMH-INIZCTEOSA-N 0 3 339.277 2.991 20 10 EFCDHN Cc1cc(Br)cc(CN2CC[C@]3(CC[N@H+](C)C3)C2)c1[O-] ZINC000368319897 477798254 /nfs/dbraw/zinc/79/82/54/477798254.db2.gz ZGWVFGHUKIMZMH-INIZCTEOSA-N 0 3 339.277 2.991 20 10 EFCDHN CCN(CCNC(=O)NCc1c(C)c2ccccc2n1C)C1CC1 ZINC000471816161 478009698 /nfs/dbraw/zinc/00/96/98/478009698.db2.gz MJMYNFFWOGVRNZ-UHFFFAOYSA-N 0 3 328.460 2.770 20 10 EFCDHN Cc1c2ccccc2n(C)c1CNC(=O)N1CC[C@@]2(CCN(C)C2)C1 ZINC000490344798 478332266 /nfs/dbraw/zinc/33/22/66/478332266.db2.gz QCQMRYYKXOEWLM-HXUWFJFHSA-N 0 3 340.471 2.724 20 10 EFCDHN COC[C@@]1(NCc2cccc(OC)c2O)COc2ccccc2C1 ZINC000527796883 478522050 /nfs/dbraw/zinc/52/20/50/478522050.db2.gz BNIQHXDIKDPPLN-LJQANCHMSA-N 0 3 329.396 2.511 20 10 EFCDHN COC[C@@]1([NH2+]Cc2cccc(OC)c2[O-])COc2ccccc2C1 ZINC000527796883 478522055 /nfs/dbraw/zinc/52/20/55/478522055.db2.gz BNIQHXDIKDPPLN-LJQANCHMSA-N 0 3 329.396 2.511 20 10 EFCDHN CCOc1cccc(CN[C@]2(COC)COc3ccccc3C2)c1O ZINC000527802045 478527604 /nfs/dbraw/zinc/52/76/04/478527604.db2.gz VAQSDVINTSFRDI-HXUWFJFHSA-N 0 3 343.423 2.901 20 10 EFCDHN CCOc1cccc(C[NH2+][C@]2(COC)COc3ccccc3C2)c1[O-] ZINC000527802045 478527610 /nfs/dbraw/zinc/52/76/10/478527610.db2.gz VAQSDVINTSFRDI-HXUWFJFHSA-N 0 3 343.423 2.901 20 10 EFCDHN CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1ccc2c(c1)CNC2 ZINC000563507191 478574339 /nfs/dbraw/zinc/57/43/39/478574339.db2.gz LLGBBPVNHHWGKH-UHFFFAOYSA-N 0 3 338.411 2.787 20 10 EFCDHN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H](N)CC1CCCCC1 ZINC000574880756 479364593 /nfs/dbraw/zinc/36/45/93/479364593.db2.gz QGZJSWNWARQIRT-MRXNPFEDSA-N 0 3 331.460 2.776 20 10 EFCDHN CN1CCN(C(=O)c2cccc3c2CCNC3)c2ccc(F)cc21 ZINC000662751659 481959727 /nfs/dbraw/zinc/95/97/27/481959727.db2.gz BEDQDPYLTOABQA-UHFFFAOYSA-N 0 3 325.387 2.568 20 10 EFCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCN(c3ncccc3F)C2)c1 ZINC000185686827 534204979 /nfs/dbraw/zinc/20/49/79/534204979.db2.gz GBJYBAIOXGQRRP-STQMWFEESA-N 0 3 331.391 2.864 20 10 EFCDHN [O-]c1cc2c(cc1C[NH2+]C[C@H](c1ccco1)N1CCCC1)OCO2 ZINC000063255917 534447953 /nfs/dbraw/zinc/44/79/53/534447953.db2.gz SZMOTXYWMQZLNK-CQSZACIVSA-N 0 3 330.384 2.641 20 10 EFCDHN COc1ccc(CNC[C@@H](O)CN2CCc3ccccc3C2)cc1C ZINC000030904107 524071735 /nfs/dbraw/zinc/07/17/35/524071735.db2.gz HMIOCEAVWRBPDR-HXUWFJFHSA-N 0 3 340.467 2.512 20 10 EFCDHN C[C@@H]1CCN(C(=O)Cc2ccc(N)cc2)CCN1Cc1ccccc1 ZINC000178840840 524451629 /nfs/dbraw/zinc/45/16/29/524451629.db2.gz DKKLWWNZWUDOBH-QGZVFWFLSA-N 0 3 337.467 2.934 20 10 EFCDHN CCN(CC)c1ccc(CNC(=O)N2CC[C@@H](N3CCCC3)C2)cc1 ZINC000171046196 528302745 /nfs/dbraw/zinc/30/27/45/528302745.db2.gz OFDJNNGZLPKNFR-LJQANCHMSA-N 0 3 344.503 2.913 20 10 EFCDHN CCOc1ccc([O-])c(C[NH2+]C2CCN(CC(F)(F)F)CC2)c1 ZINC000263724860 535752333 /nfs/dbraw/zinc/75/23/33/535752333.db2.gz WZBQVQZWAMWAEL-UHFFFAOYSA-N 0 3 332.366 2.907 20 10 EFCDHN CCOC1CC(C[NH2+][C@@H](C)c2ccc(C)cc2[O-])(N2CCOCC2)C1 ZINC000193398490 535756813 /nfs/dbraw/zinc/75/68/13/535756813.db2.gz MMRJOSUZECSZBM-VXESANQCSA-N 0 3 348.487 2.621 20 10 EFCDHN COC1CCN(c2ccc(CN3C[C@@H](C)N(C)[C@@H](C)C3)cc2)CC1 ZINC000296870021 536755989 /nfs/dbraw/zinc/75/59/89/536755989.db2.gz ZMBOTXUVTAFFSJ-CALCHBBNSA-N 0 3 331.504 2.826 20 10 EFCDHN COc1cc([O-])c(C[N@@H+]2CC[C@@](CO)(c3ccccc3)C2)cc1OC ZINC000365835725 536856870 /nfs/dbraw/zinc/85/68/70/536856870.db2.gz GIVGOEDFRWJWHX-HXUWFJFHSA-N 0 3 343.423 2.545 20 10 EFCDHN COc1cc([O-])c(C[N@H+]2CC[C@@](CO)(c3ccccc3)C2)cc1OC ZINC000365835725 536856874 /nfs/dbraw/zinc/85/68/74/536856874.db2.gz GIVGOEDFRWJWHX-HXUWFJFHSA-N 0 3 343.423 2.545 20 10 EFCDHN C[C@@H](NCc1cc2c(cc1O)OCO2)c1ccc([S@](C)=O)cc1 ZINC000270072304 545630956 /nfs/dbraw/zinc/63/09/56/545630956.db2.gz IDYLCTOKMKSJQC-BGJPBQGDSA-N 0 3 333.409 2.709 20 10 EFCDHN O=[N+]([O-])c1cc(CN[C@H](CO)CC2CC2)ccc1N1CCCCC1 ZINC000754835014 575499824 /nfs/dbraw/zinc/49/98/24/575499824.db2.gz QRAWHOGIIODAGP-INIZCTEOSA-N 0 3 333.432 2.836 20 10 EFCDHN C[C@@H]([NH2+]CC(C)(C)N1CCN(C)CC1)c1cc(Cl)ccc1[O-] ZINC000756399112 575730765 /nfs/dbraw/zinc/73/07/65/575730765.db2.gz MLIDQUBFNXSABH-CYBMUJFWSA-N 0 3 325.884 2.722 20 10 EFCDHN CNC(=O)COc1cccc(C[NH2+][C@@H](C)c2ccc(C)cc2[O-])c1 ZINC000756434601 575738519 /nfs/dbraw/zinc/73/85/19/575738519.db2.gz NUZFMHZSVDPHBT-AWEZNQCLSA-N 0 3 328.412 2.676 20 10 EFCDHN C[C@@H](NC[C@H](O)C[NH+]1CCCC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000756459913 575742693 /nfs/dbraw/zinc/74/26/93/575742693.db2.gz QECCXDGDHRYRHZ-MNOVXSKESA-N 0 3 333.259 2.806 20 10 EFCDHN C[C@@H]1C[C@@H]([NH2+]CC(=O)NCc2ccccc2)c2c1c(F)ccc2[O-] ZINC000756477443 575745745 /nfs/dbraw/zinc/74/57/45/575745745.db2.gz ZHTNFEJBLMEQLT-IUODEOHRSA-N 0 3 328.387 2.986 20 10 EFCDHN C[C@H](C[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F)CN1CCN(C)CC1 ZINC000756534140 575756668 /nfs/dbraw/zinc/75/66/68/575756668.db2.gz KUGHIKLINLCSOJ-FMKPAKJESA-N 0 3 335.467 2.553 20 10 EFCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C2CCN(C[C@H]3CCCO3)CC2)c1 ZINC000756572651 575764375 /nfs/dbraw/zinc/76/43/75/575764375.db2.gz HHUNFOKVOBCANN-RHSMWYFYSA-N 0 3 334.460 2.695 20 10 EFCDHN C[C@@H]1C[C@@H]([NH2+]Cc2cccc(OCC(N)=O)c2)c2c1c(F)ccc2[O-] ZINC000756608727 575767430 /nfs/dbraw/zinc/76/74/30/575767430.db2.gz LCENNOGHRJFYTM-IAQYHMDHSA-N 0 3 344.386 2.734 20 10 EFCDHN C[C@@H]1C[C@H]([NH2+]C[C@@H]2COC3(CCOCC3)O2)c2c1c(F)ccc2[O-] ZINC000756863707 575794763 /nfs/dbraw/zinc/79/47/63/575794763.db2.gz KIHNTOYRHKVOBV-BZPMIXESSA-N 0 3 337.391 2.591 20 10 EFCDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000757628534 575846216 /nfs/dbraw/zinc/84/62/16/575846216.db2.gz YHDKOQKMZAQWLU-DNVCBOLYSA-N 0 3 342.487 2.569 20 10 EFCDHN [O-]c1cc2c(cc1C[NH2+]C[C@]1(CO)C[C@H]1c1ccc(F)cc1)OCO2 ZINC000758526218 575871605 /nfs/dbraw/zinc/87/16/05/575871605.db2.gz FMAOFEHXUHLAMM-KXBFYZLASA-N 0 3 345.370 2.516 20 10 EFCDHN COc1cc(Br)cc(C[NH2+]CCC[C@H](C)CO)c1[O-] ZINC000758577373 575873232 /nfs/dbraw/zinc/87/32/32/575873232.db2.gz DXRPSRWWRMTWCO-JTQLQIEISA-N 0 3 332.238 2.662 20 10 EFCDHN COc1cccc([O-])c1C[NH2+]C[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000758613729 575874154 /nfs/dbraw/zinc/87/41/54/575874154.db2.gz GDHVYTPFLNJYCG-INIZCTEOSA-N 0 3 340.423 2.539 20 10 EFCDHN COCCS(=O)(=O)c1ccc(C[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000760019124 575972509 /nfs/dbraw/zinc/97/25/09/575972509.db2.gz TZUSVQBOBDEDIB-CQSZACIVSA-N 0 3 349.452 2.663 20 10 EFCDHN Cc1ncc(/C=C\C(=O)N2C[C@H](CN(C)C)Oc3ccccc32)s1 ZINC000760816919 576077246 /nfs/dbraw/zinc/07/72/46/576077246.db2.gz GGADYRZOQLDDKZ-CKXPSTMWSA-N 0 3 343.452 2.821 20 10 EFCDHN COc1cc(Cl)cc(CN2CCC(O[C@@H]3CCOC3)CC2)c1O ZINC000761206287 576129767 /nfs/dbraw/zinc/12/97/67/576129767.db2.gz VLQJDBNEQDTWPR-OAHLLOKOSA-N 0 3 341.835 2.824 20 10 EFCDHN C[C@@H](CCS(C)(=O)=O)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000761988546 576238839 /nfs/dbraw/zinc/23/88/39/576238839.db2.gz HARNTNDYKPJKLI-AWEZNQCLSA-N 0 3 333.453 2.972 20 10 EFCDHN C[C@@H](NCCc1ccnn1C)c1ccc(N2CCOCC2)cc1Cl ZINC000762778782 576330676 /nfs/dbraw/zinc/33/06/76/576330676.db2.gz OLSGKPCEXCIJMG-CQSZACIVSA-N 0 3 348.878 2.803 20 10 EFCDHN CC(C)(CS(C)(=O)=O)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000762785367 576331172 /nfs/dbraw/zinc/33/11/72/576331172.db2.gz HBAWDTHSLQYQDW-UHFFFAOYSA-N 0 3 333.453 2.972 20 10 EFCDHN COc1cc(Cl)cc(C[N@H+](C)CCCNC(=O)C2CCC2)c1[O-] ZINC000763621270 576383092 /nfs/dbraw/zinc/38/30/92/576383092.db2.gz BTQYXAPYGAMZBQ-UHFFFAOYSA-N 0 3 340.851 2.792 20 10 EFCDHN COc1cc(Cl)cc(C[N@@H+](C)CCCNC(=O)C2CCC2)c1[O-] ZINC000763621270 576383093 /nfs/dbraw/zinc/38/30/93/576383093.db2.gz BTQYXAPYGAMZBQ-UHFFFAOYSA-N 0 3 340.851 2.792 20 10 EFCDHN CO[C@@]1(C[NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])CCOC1 ZINC000764684583 576488583 /nfs/dbraw/zinc/48/85/83/576488583.db2.gz YTJDTCVIUALBDG-HXUWFJFHSA-N 0 3 343.423 2.866 20 10 EFCDHN CO[C@]1(C[NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])CCOC1 ZINC000764684581 576488602 /nfs/dbraw/zinc/48/86/02/576488602.db2.gz YTJDTCVIUALBDG-FQEVSTJZSA-N 0 3 343.423 2.866 20 10 EFCDHN C[C@@H](NCc1cccc(NS(C)(=O)=O)c1)c1ccc(N(C)C)cc1 ZINC000764767204 576500761 /nfs/dbraw/zinc/50/07/61/576500761.db2.gz HKBFYEGAISDNFN-CQSZACIVSA-N 0 3 347.484 2.975 20 10 EFCDHN C[C@@H](NCc1ccc(N(C)C)nc1)c1ccc(N2CCOCC2)cc1 ZINC000764865927 576514348 /nfs/dbraw/zinc/51/43/48/576514348.db2.gz YLGXKPFQKIIPFQ-MRXNPFEDSA-N 0 3 340.471 2.835 20 10 EFCDHN Fc1cc(CN[C@H]2CCCc3cn[nH]c32)ccc1N1CCOCC1 ZINC000765278047 577026181 /nfs/dbraw/zinc/02/61/81/577026181.db2.gz AEDZNIIPISAQLV-INIZCTEOSA-N 0 3 330.407 2.553 20 10 EFCDHN COC[C@@H](CC(C)C)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000765285743 577027410 /nfs/dbraw/zinc/02/74/10/577027410.db2.gz FRKFOQIMONEQLT-MRXNPFEDSA-N 0 3 338.467 2.938 20 10 EFCDHN CCN(C)c1ccc([C@H](C)NCCS(=O)(=O)NC(C)(C)C)cc1 ZINC000765410917 577039179 /nfs/dbraw/zinc/03/91/79/577039179.db2.gz VHHIOXUQGHMAAE-AWEZNQCLSA-N 0 3 341.521 2.511 20 10 EFCDHN C[C@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1)C(=O)NC1CCCC1 ZINC000765422600 577040856 /nfs/dbraw/zinc/04/08/56/577040856.db2.gz AJYJHMFGLCTADD-HOTGVXAUSA-N 0 3 345.487 2.621 20 10 EFCDHN C[C@H](CN[C@H](C)c1ccc(N2CCOCC2)cc1Cl)N(C)C ZINC000765774315 577075233 /nfs/dbraw/zinc/07/52/33/577075233.db2.gz IMPOMZAKLSLWRH-ZIAGYGMSSA-N 0 3 325.884 2.777 20 10 EFCDHN COC(=O)C[C@@]1([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CCOC1 ZINC000766471790 577155256 /nfs/dbraw/zinc/15/52/56/577155256.db2.gz ZVYUOCDTMLDSKG-FQEVSTJZSA-N 0 3 341.407 2.871 20 10 EFCDHN [O-]c1ccccc1C[NH2+]C[C@@H](CO)Cc1cc(F)c(F)c(F)c1 ZINC000767710802 577229623 /nfs/dbraw/zinc/22/96/23/577229623.db2.gz IFQKWIVSKPBPMX-LBPRGKRZSA-N 0 3 325.330 2.750 20 10 EFCDHN COc1cccc([O-])c1C[NH2+]CC1(N2CCOCC2)CCCCC1 ZINC000725841629 577243749 /nfs/dbraw/zinc/24/37/49/577243749.db2.gz PEDFWDMFCFUFLH-UHFFFAOYSA-N 0 3 334.460 2.526 20 10 EFCDHN COc1cccc(O)c1CNCc1ccc(C(=O)N2CCCC2)cc1 ZINC000725847989 577248161 /nfs/dbraw/zinc/24/81/61/577248161.db2.gz LXRCEWWAGQIDPW-UHFFFAOYSA-N 0 3 340.423 2.927 20 10 EFCDHN CCOc1ccc(C[NH2+]C2CCN(CC(F)(F)F)CC2)c([O-])c1 ZINC000725852351 577250927 /nfs/dbraw/zinc/25/09/27/577250927.db2.gz XYEAPLXYZKRMGS-UHFFFAOYSA-N 0 3 332.366 2.907 20 10 EFCDHN COc1ccc(CCC[N@H+](C)Cc2cc3c(cc2[O-])OC[C@H]3O)cc1 ZINC000768442752 577273999 /nfs/dbraw/zinc/27/39/99/577273999.db2.gz NQICOMKIBLZCCK-LJQANCHMSA-N 0 3 343.423 2.891 20 10 EFCDHN COc1ccc(CCC[N@@H+](C)Cc2cc3c(cc2[O-])OC[C@H]3O)cc1 ZINC000768442752 577274000 /nfs/dbraw/zinc/27/40/00/577274000.db2.gz NQICOMKIBLZCCK-LJQANCHMSA-N 0 3 343.423 2.891 20 10 EFCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@H](c3ccccc3F)C1)[C@H](O)CO2 ZINC000768448535 577274779 /nfs/dbraw/zinc/27/47/79/577274779.db2.gz CLRYNIPODYJWBH-KZULUSFZSA-N 0 3 329.371 2.947 20 10 EFCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@@H](c3ccccc3F)C1)[C@H](O)CO2 ZINC000768448535 577274780 /nfs/dbraw/zinc/27/47/80/577274780.db2.gz CLRYNIPODYJWBH-KZULUSFZSA-N 0 3 329.371 2.947 20 10 EFCDHN COc1ccc(C[N@H+](C)Cc2cc3c(cc2[O-])OC[C@H]3O)cc1C ZINC000768453619 577275270 /nfs/dbraw/zinc/27/52/70/577275270.db2.gz ZXONJCAMNXDXLO-QGZVFWFLSA-N 0 3 329.396 2.767 20 10 EFCDHN COc1ccc(C[N@@H+](C)Cc2cc3c(cc2[O-])OC[C@H]3O)cc1C ZINC000768453619 577275272 /nfs/dbraw/zinc/27/52/72/577275272.db2.gz ZXONJCAMNXDXLO-QGZVFWFLSA-N 0 3 329.396 2.767 20 10 EFCDHN Cc1cccc([C@@H]2CCC[N@@H+]2Cc2cc3c(cc2[O-])OC[C@H]3O)n1 ZINC000768463658 577276040 /nfs/dbraw/zinc/27/60/40/577276040.db2.gz VNZMXCBUOVBQMA-FUHWJXTLSA-N 0 3 326.396 2.859 20 10 EFCDHN Cc1cccc([C@@H]2CCC[N@H+]2Cc2cc3c(cc2[O-])OC[C@H]3O)n1 ZINC000768463658 577276041 /nfs/dbraw/zinc/27/60/41/577276041.db2.gz VNZMXCBUOVBQMA-FUHWJXTLSA-N 0 3 326.396 2.859 20 10 EFCDHN [O-]c1cc2c(cc1C[NH2+]C1(c3ccccc3)CCOCC1)[C@H](O)CO2 ZINC000768464585 577276178 /nfs/dbraw/zinc/27/61/78/577276178.db2.gz CIBYZIKGXZMRKD-GOSISDBHSA-N 0 3 341.407 2.614 20 10 EFCDHN COc1cccc(O)c1CN1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC000768531380 577280947 /nfs/dbraw/zinc/28/09/47/577280947.db2.gz CZIQHHVEJPSPIT-OAHLLOKOSA-N 0 3 333.350 2.926 20 10 EFCDHN C[C@H](Cn1cccn1)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000768676558 577294342 /nfs/dbraw/zinc/29/43/42/577294342.db2.gz DQZXUEKDAQRWLC-PMPSAXMXSA-N 0 3 346.450 2.814 20 10 EFCDHN CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2c([O-])cccc2OC)C1 ZINC000769209849 577344782 /nfs/dbraw/zinc/34/47/82/577344782.db2.gz NOPCZUCWEWWHOY-GJZGRUSLSA-N 0 3 334.460 2.918 20 10 EFCDHN CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2c([O-])cccc2OC)C1 ZINC000769209849 577344783 /nfs/dbraw/zinc/34/47/83/577344783.db2.gz NOPCZUCWEWWHOY-GJZGRUSLSA-N 0 3 334.460 2.918 20 10 EFCDHN CN1CCN(Cc2ccc(N3CCOCC3)cc2)Cc2ccccc21 ZINC000769320125 577351799 /nfs/dbraw/zinc/35/17/99/577351799.db2.gz IOFMHTRZVJYLHH-UHFFFAOYSA-N 0 3 337.467 2.975 20 10 EFCDHN CN1CCC[C@@H]1CNC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000726242866 577357437 /nfs/dbraw/zinc/35/74/37/577357437.db2.gz AMTYKMLCAHNGAX-MRXNPFEDSA-N 0 3 343.427 2.791 20 10 EFCDHN CCOc1ccc(C[N@H+](C)[C@@H](CO)c2ccc(OC)cc2)c([O-])c1 ZINC000769425203 577361784 /nfs/dbraw/zinc/36/17/84/577361784.db2.gz OKENEBDHCCTPJF-SFHVURJKSA-N 0 3 331.412 2.965 20 10 EFCDHN CCOc1ccc(C[N@@H+](C)[C@@H](CO)c2ccc(OC)cc2)c([O-])c1 ZINC000769425203 577361785 /nfs/dbraw/zinc/36/17/85/577361785.db2.gz OKENEBDHCCTPJF-SFHVURJKSA-N 0 3 331.412 2.965 20 10 EFCDHN CC(C)(CO)N1CCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000769446729 577362715 /nfs/dbraw/zinc/36/27/15/577362715.db2.gz SUBZRDYPAMRMAT-UHFFFAOYSA-N 0 3 331.504 2.565 20 10 EFCDHN C[C@H]([NH2+]Cc1cc(-c2ccccc2)ccc1[O-])[C@@H]1CN(C)CCO1 ZINC000769933870 577394206 /nfs/dbraw/zinc/39/42/06/577394206.db2.gz JRLSFZUHDXXVNI-YWZLYKJASA-N 0 3 326.440 2.868 20 10 EFCDHN CCOc1ccc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)c([O-])c1 ZINC000770382920 577414212 /nfs/dbraw/zinc/41/42/12/577414212.db2.gz FQLIUXWEAPCUQB-SJLPKXTDSA-N 0 3 345.443 2.613 20 10 EFCDHN CCOc1ccc(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)c([O-])c1 ZINC000770382920 577414214 /nfs/dbraw/zinc/41/42/14/577414214.db2.gz FQLIUXWEAPCUQB-SJLPKXTDSA-N 0 3 345.443 2.613 20 10 EFCDHN O=C(NCc1ccccc1O)NCC1CCN(c2ccncc2)CC1 ZINC000772454117 581324897 /nfs/dbraw/zinc/32/48/97/581324897.db2.gz QUWSMWRHKGILQD-UHFFFAOYSA-N 0 3 340.427 2.503 20 10 EFCDHN COc1ccc(N2CCC(N[C@H](CO)CC(F)(F)F)CC2)cc1 ZINC000773106034 581396869 /nfs/dbraw/zinc/39/68/69/581396869.db2.gz JJKPDXAFZXZTAK-ZDUSSCGKSA-N 0 3 332.366 2.567 20 10 EFCDHN C[C@@H](NC(=O)NC[C@H](C)N1CCCCC1)c1ccc(N(C)C)cc1 ZINC000773366739 581423479 /nfs/dbraw/zinc/42/34/79/581423479.db2.gz GIZIZILPUAMPOR-JKSUJKDBSA-N 0 3 332.492 2.987 20 10 EFCDHN C[C@H](NC(=O)N[C@H]1C[C@H](C)N(C2CC2)C1)c1ccc(N(C)C)cc1 ZINC000773371703 581423935 /nfs/dbraw/zinc/42/39/35/581423935.db2.gz ULTWRLWRZUALTB-DZKIICNBSA-N 0 3 330.476 2.738 20 10 EFCDHN CCO[C@H]1C[C@@H](O)C12CCN(Cc1ccc(N(C)CC)cc1)CC2 ZINC000773752650 581461465 /nfs/dbraw/zinc/46/14/65/581461465.db2.gz IRKPUJJVYWQEED-MOPGFXCFSA-N 0 3 332.488 2.895 20 10 EFCDHN CCN1CCC[C@@H]1CNC(=S)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000774256765 581488157 /nfs/dbraw/zinc/48/81/57/581488157.db2.gz OAALWQAJENIZJA-RHSMWYFYSA-N 0 3 334.533 2.762 20 10 EFCDHN O=[N+]([O-])c1cc(CNCCc2cnccn2)ccc1N1CCCCC1 ZINC000774830854 581501877 /nfs/dbraw/zinc/50/18/77/581501877.db2.gz FIIQGCCQXIEBPA-UHFFFAOYSA-N 0 3 341.415 2.707 20 10 EFCDHN CCN1CC[C@@H]([N@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C[C@H]1C ZINC000774904809 581503701 /nfs/dbraw/zinc/50/37/01/581503701.db2.gz XBQFSKBCQSQLIW-TZMCWYRMSA-N 0 3 337.420 2.614 20 10 EFCDHN CCN1CC[C@@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C[C@H]1C ZINC000774904809 581503702 /nfs/dbraw/zinc/50/37/02/581503702.db2.gz XBQFSKBCQSQLIW-TZMCWYRMSA-N 0 3 337.420 2.614 20 10 EFCDHN CC[N@@H+]1CC[C@@H](N(C)Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C[C@H]1C ZINC000774904809 581503703 /nfs/dbraw/zinc/50/37/03/581503703.db2.gz XBQFSKBCQSQLIW-TZMCWYRMSA-N 0 3 337.420 2.614 20 10 EFCDHN CC[N@H+]1CC[C@@H](N(C)Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C[C@H]1C ZINC000774904809 581503704 /nfs/dbraw/zinc/50/37/04/581503704.db2.gz XBQFSKBCQSQLIW-TZMCWYRMSA-N 0 3 337.420 2.614 20 10 EFCDHN COc1c([O-])c(C[NH2+]C2CCN(CC(C)C)CC2)ccc1[N+](=O)[O-] ZINC000774964013 581505234 /nfs/dbraw/zinc/50/52/34/581505234.db2.gz MSZQKDOLNYCFPI-UHFFFAOYSA-N 0 3 337.420 2.519 20 10 EFCDHN COc1c([O-])c(CNC2CC[NH+](CC(C)C)CC2)ccc1[N+](=O)[O-] ZINC000774964013 581505235 /nfs/dbraw/zinc/50/52/35/581505235.db2.gz MSZQKDOLNYCFPI-UHFFFAOYSA-N 0 3 337.420 2.519 20 10 EFCDHN COc1cncc(CNCc2ccc(N3CCC(CO)CC3)cc2)c1 ZINC000850072844 1250258257 /nfs/dbraw/zinc/25/82/57/1250258257.db2.gz NUBJRNMZWKASIL-UHFFFAOYSA-N 0 3 341.455 2.589 20 10 EFCDHN C[C@H](NCc1cnc2n1CCC2)c1ccc(N2CCOCC2)cc1 ZINC000850076869 1250265172 /nfs/dbraw/zinc/26/51/72/1250265172.db2.gz FKDNGUGWJVIWBH-HNNXBMFYSA-N 0 3 326.444 2.517 20 10 EFCDHN COc1cc(CN[C@H]2CCN(C(C)C)C2=O)c(O)c(C(C)(C)C)c1 ZINC000850136832 1250308393 /nfs/dbraw/zinc/30/83/93/1250308393.db2.gz FQEBXPZTOUMHPW-INIZCTEOSA-N 0 3 334.460 2.797 20 10 EFCDHN CC[C@@H](C)N1C(=O)C[C@@]2(CCC[N@H+](Cc3cc(F)ccc3[O-])C2)C1=O ZINC001273283914 1265475895 /nfs/dbraw/zinc/47/58/95/1265475895.db2.gz CBXSCKKUKJZJKH-BFUOFWGJSA-N 0 3 348.418 2.671 20 10 EFCDHN CC[C@@H](C)N1C(=O)C[C@@]2(CCC[N@@H+](Cc3cc(F)ccc3[O-])C2)C1=O ZINC001273283914 1265475899 /nfs/dbraw/zinc/47/58/99/1265475899.db2.gz CBXSCKKUKJZJKH-BFUOFWGJSA-N 0 3 348.418 2.671 20 10 EFCDHN CCc1ncc(CNCc2ccc(N3CCC(O)CC3)cc2)s1 ZINC000850405983 1250468244 /nfs/dbraw/zinc/46/82/44/1250468244.db2.gz MZXCILSLFHRXHZ-UHFFFAOYSA-N 0 3 331.485 2.956 20 10 EFCDHN COc1ccc(CNCc2ccc(N3CCC(O)CC3)cc2)cc1O ZINC000850405492 1250470116 /nfs/dbraw/zinc/47/01/16/1250470116.db2.gz QHRLFYLUILDGNV-UHFFFAOYSA-N 0 3 342.439 2.652 20 10 EFCDHN COc1cccc(CNCc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000850405450 1250470181 /nfs/dbraw/zinc/47/01/81/1250470181.db2.gz OFRTUSMZBKUGRO-UHFFFAOYSA-N 0 3 326.440 2.946 20 10 EFCDHN OC1CCN(c2ccc(CNCc3cccc4nccn43)cc2)CC1 ZINC000850406263 1250470273 /nfs/dbraw/zinc/47/02/73/1250470273.db2.gz ZAPXGOSMIZLZEI-UHFFFAOYSA-N 0 3 336.439 2.585 20 10 EFCDHN C[C@H](N[C@@H]1CCCn2nccc21)c1ccc(N2CCOCC2)cc1 ZINC000850428136 1250486085 /nfs/dbraw/zinc/48/60/85/1250486085.db2.gz KQPXLKHRKKCIPM-MAUKXSAKSA-N 0 3 326.444 2.905 20 10 EFCDHN COc1ccc(N2C[C@H]([NH2+][C@@H](C)c3cc(F)ccc3[O-])CC2=O)cc1 ZINC000850516095 1250519563 /nfs/dbraw/zinc/51/95/63/1250519563.db2.gz SLIDONFHKCOEDL-GXTWGEPZSA-N 0 3 344.386 2.996 20 10 EFCDHN C[C@@H]([NH2+]CC1(S(C)(=O)=O)CCCCC1)c1cc(F)ccc1[O-] ZINC000850531006 1250525349 /nfs/dbraw/zinc/52/53/49/1250525349.db2.gz GCERCVMQHGWWHM-GFCCVEGCSA-N 0 3 329.437 2.929 20 10 EFCDHN Cn1cc2c(n1)CCC[C@@H]2NCc1ccc(N2CCC(O)CC2)cc1 ZINC000850567988 1250540773 /nfs/dbraw/zinc/54/07/73/1250540773.db2.gz NHDMHAFCVLJPNW-IBGZPJMESA-N 0 3 340.471 2.548 20 10 EFCDHN CC[C@H](C)N1C(=O)C[C@]2(CCC[N@H+](Cc3ccc(C)cc3[O-])C2)C1=O ZINC001272764983 1257678543 /nfs/dbraw/zinc/67/85/43/1257678543.db2.gz FKBNZWAPNFBGIN-YWZLYKJASA-N 0 3 344.455 2.840 20 10 EFCDHN CC[C@H](C)N1C(=O)C[C@]2(CCC[N@@H+](Cc3ccc(C)cc3[O-])C2)C1=O ZINC001272764983 1257678549 /nfs/dbraw/zinc/67/85/49/1257678549.db2.gz FKBNZWAPNFBGIN-YWZLYKJASA-N 0 3 344.455 2.840 20 10 EFCDHN CC(=O)[C@H](C)N1C[C@]2(CC1=O)CCCCN2Cc1ccc(C)cc1O ZINC001272764925 1257680536 /nfs/dbraw/zinc/68/05/36/1257680536.db2.gz CTXKPVSKCQTXMB-MGPUTAFESA-N 0 3 344.455 2.635 20 10 EFCDHN COc1cc(Br)cc(C[NH2+][C@H](C)CC(C)(C)O)c1[O-] ZINC000824696778 1278230926 /nfs/dbraw/zinc/23/09/26/1278230926.db2.gz SNVPXNHNFCCVEW-SECBINFHSA-N 0 3 332.238 2.802 20 10 EFCDHN COc1ccc(-n2c(C)cc(C(=O)N(C)CCN(C)C)c2C)cc1 ZINC000080391801 1264926112 /nfs/dbraw/zinc/92/61/12/1264926112.db2.gz HZHJWUVOZFBIOE-UHFFFAOYSA-N 0 3 329.444 2.736 20 10 EFCDHN CO[C@H]1COCC[C@@H]1C[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000824709173 1278257621 /nfs/dbraw/zinc/25/76/21/1278257621.db2.gz OEQOQZCJIPZHRZ-RISCZKNCSA-N 0 3 344.249 2.604 20 10 EFCDHN C[C@H]1CN(C(=O)C[N@H+](Cc2ccccc2[O-])C2CCCC2)C[C@H](C)O1 ZINC000733613205 1265317816 /nfs/dbraw/zinc/31/78/16/1265317816.db2.gz DMEILGJPYZCLDQ-HOTGVXAUSA-N 0 3 346.471 2.773 20 10 EFCDHN C[C@H]1CN(C(=O)C[N@@H+](Cc2ccccc2[O-])C2CCCC2)C[C@H](C)O1 ZINC000733613205 1265317821 /nfs/dbraw/zinc/31/78/21/1265317821.db2.gz DMEILGJPYZCLDQ-HOTGVXAUSA-N 0 3 346.471 2.773 20 10 EFCDHN Cc1cc([O-])c(CN2CCC([N@H+](C)CCCO)CC2)cc1Cl ZINC000824815024 1278300971 /nfs/dbraw/zinc/30/09/71/1278300971.db2.gz YPLIKJQBUUBFMZ-UHFFFAOYSA-N 0 3 326.868 2.633 20 10 EFCDHN Cc1cc([O-])c(CN2CCC([N@@H+](C)CCCO)CC2)cc1Cl ZINC000824815024 1278300983 /nfs/dbraw/zinc/30/09/83/1278300983.db2.gz YPLIKJQBUUBFMZ-UHFFFAOYSA-N 0 3 326.868 2.633 20 10 EFCDHN CC[NH+](CC)Cc1ccc(CNC(=O)c2cccc(O)c2[O-])cc1 ZINC000186798410 1267721403 /nfs/dbraw/zinc/72/14/03/1267721403.db2.gz XUWLMCUNRGZKTD-UHFFFAOYSA-N 0 3 328.412 2.870 20 10 EFCDHN O=C1N=NCN1C1CCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000828407440 1267744230 /nfs/dbraw/zinc/74/42/30/1267744230.db2.gz IUFWEBBPFJFHRN-UHFFFAOYSA-N 0 3 341.459 2.811 20 10 EFCDHN CCCCN1CC[C@@H]1CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001085994093 1269447828 /nfs/dbraw/zinc/44/78/28/1269447828.db2.gz BNXNWXMTKDOJNR-OAHLLOKOSA-N 0 3 331.420 2.795 20 10 EFCDHN CCCCN1CC[C@H]1CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001085994092 1269447886 /nfs/dbraw/zinc/44/78/86/1269447886.db2.gz BNXNWXMTKDOJNR-HNNXBMFYSA-N 0 3 331.420 2.795 20 10 EFCDHN C[C@H](NC(=O)CN1[C@H](C)CC[C@@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000746168356 1271872927 /nfs/dbraw/zinc/87/29/27/1271872927.db2.gz OLMUKZHGFBIVLF-BBWFWOEESA-N 0 3 345.487 2.573 20 10 EFCDHN CC(C)N1CCN(c2ccc(NCc3ccc(O)c(O)c3)cn2)CC1 ZINC001169993028 1274125012 /nfs/dbraw/zinc/12/50/12/1274125012.db2.gz LZTRODVQDKOYKB-UHFFFAOYSA-N 0 3 342.443 2.635 20 10 EFCDHN O=C1[C@H](NCc2cc3c(cc2O)OCO3)CCCN1C1CCCCC1 ZINC000785549579 1275115311 /nfs/dbraw/zinc/11/53/11/1275115311.db2.gz VPPHJKARFJZBSP-OAHLLOKOSA-N 0 3 346.427 2.534 20 10 EFCDHN CN(Cc1c([O-])cccc1Br)C[C@@H]1CCC[N@H+](C)C1 ZINC000707129994 1275337429 /nfs/dbraw/zinc/33/74/29/1275337429.db2.gz XAXXROJDGQIVRL-GFCCVEGCSA-N 0 3 327.266 2.928 20 10 EFCDHN CN(Cc1c([O-])cccc1Br)C[C@@H]1CCC[N@@H+](C)C1 ZINC000707129994 1275337439 /nfs/dbraw/zinc/33/74/39/1275337439.db2.gz XAXXROJDGQIVRL-GFCCVEGCSA-N 0 3 327.266 2.928 20 10 EFCDHN C[N@@H+]1CC[C@@]2(CCN(Cc3c([O-])cccc3Br)C2)C1 ZINC000707170607 1275375121 /nfs/dbraw/zinc/37/51/21/1275375121.db2.gz BCRKZAHYMYBHFL-OAHLLOKOSA-N 0 3 325.250 2.682 20 10 EFCDHN C[N@H+]1CC[C@@]2(CCN(Cc3c([O-])cccc3Br)C2)C1 ZINC000707170607 1275375131 /nfs/dbraw/zinc/37/51/31/1275375131.db2.gz BCRKZAHYMYBHFL-OAHLLOKOSA-N 0 3 325.250 2.682 20 10 EFCDHN COC(=O)[C@@H]1CC[N@H+](Cc2cc(Br)cc(C)c2[O-])[C@@H]1C ZINC000787420067 1275769888 /nfs/dbraw/zinc/76/98/88/1275769888.db2.gz CTLAYUPMFILMCG-ZWNOBZJWSA-N 0 3 342.233 2.847 20 10 EFCDHN COC(=O)[C@@H]1CC[N@@H+](Cc2cc(Br)cc(C)c2[O-])[C@@H]1C ZINC000787420067 1275769893 /nfs/dbraw/zinc/76/98/93/1275769893.db2.gz CTLAYUPMFILMCG-ZWNOBZJWSA-N 0 3 342.233 2.847 20 10 EFCDHN COC(=O)[C@@H]1CCN(Cc2cc(Br)cc(C)c2O)[C@@H]1C ZINC000787420067 1275769899 /nfs/dbraw/zinc/76/98/99/1275769899.db2.gz CTLAYUPMFILMCG-ZWNOBZJWSA-N 0 3 342.233 2.847 20 10 EFCDHN COc1cccc([O-])c1C[NH2+]CCOc1ncccc1C(F)(F)F ZINC000746753046 1276240194 /nfs/dbraw/zinc/24/01/94/1276240194.db2.gz ANMBCQKDTBZXKF-UHFFFAOYSA-N 0 3 342.317 2.983 20 10 EFCDHN CC[C@@H]([NH2+]C[C@@H]1C[C@H](F)CN1)c1cc(Br)ccc1[O-] ZINC000817976716 1276417370 /nfs/dbraw/zinc/41/73/70/1276417370.db2.gz SCOVDSTWQIXNBK-GMXVVIOVSA-N 0 3 331.229 2.895 20 10 EFCDHN COc1ccc(N2CC[C@H](CN[C@@H](c3nccn3C)C3CC3)C2)cc1 ZINC000818342852 1276511753 /nfs/dbraw/zinc/51/17/53/1276511753.db2.gz VXQHEOJNKPQYBG-DNVCBOLYSA-N 0 3 340.471 2.996 20 10 EFCDHN COc1ccc(N2CC[C@@H](CN[C@H](c3nccn3C)C3CC3)C2)cc1 ZINC000818342855 1276511852 /nfs/dbraw/zinc/51/18/52/1276511852.db2.gz VXQHEOJNKPQYBG-KXBFYZLASA-N 0 3 340.471 2.996 20 10 EFCDHN [O-]c1cc2c(cc1C[N@@H+]1CC3(CCC3)[C@@H]1C1CCOCC1)[C@H](O)CO2 ZINC000819902064 1276941323 /nfs/dbraw/zinc/94/13/23/1276941323.db2.gz MQLRRISYBNGKQA-MJGOQNOKSA-N 0 3 345.439 2.599 20 10 EFCDHN [O-]c1cc2c(cc1C[N@H+]1CC3(CCC3)[C@@H]1C1CCOCC1)[C@H](O)CO2 ZINC000819902064 1276941327 /nfs/dbraw/zinc/94/13/27/1276941327.db2.gz MQLRRISYBNGKQA-MJGOQNOKSA-N 0 3 345.439 2.599 20 10 EFCDHN CC(C)(C)c1cc(O)c(O)c(CN2CC[C@H](N3CCCC3=O)C2)c1 ZINC000790462153 1277546260 /nfs/dbraw/zinc/54/62/60/1277546260.db2.gz UZLUUVKUEABLHM-HNNXBMFYSA-N 0 3 332.444 2.592 20 10 EFCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@@H](N4CCCC4=O)C3)c2c1 ZINC000790455468 1277572177 /nfs/dbraw/zinc/57/21/77/1277572177.db2.gz DBTVIQZNKHDCKP-OAHLLOKOSA-N 0 3 340.423 2.751 20 10 EFCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@@H](N4CCCC4=O)C3)c2c1 ZINC000790455468 1277572187 /nfs/dbraw/zinc/57/21/87/1277572187.db2.gz DBTVIQZNKHDCKP-OAHLLOKOSA-N 0 3 340.423 2.751 20 10 EFCDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)c2cccc(O)c2O)C1 ZINC000790570248 1277653328 /nfs/dbraw/zinc/65/33/28/1277653328.db2.gz KQBKBHKCXPBOKG-ZFWWWQNUSA-N 0 3 326.396 2.663 20 10 EFCDHN [O-]c1ccc(Cl)c(F)c1C[NH2+]C1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000790977402 1277908938 /nfs/dbraw/zinc/90/89/38/1277908938.db2.gz KOWNZENTYGTEED-GDBMZVCRSA-N 0 3 342.842 2.652 20 10 EFCDHN [O-]c1ccc(Cl)c(F)c1CNC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000790977402 1277908939 /nfs/dbraw/zinc/90/89/39/1277908939.db2.gz KOWNZENTYGTEED-GDBMZVCRSA-N 0 3 342.842 2.652 20 10 EFCDHN CCN(C)c1ccc(CN2[C@@H]3C[C@H](C(=O)OC)O[C@H]3CC[C@H]2C)cc1 ZINC000815112414 1287310713 /nfs/dbraw/zinc/31/07/13/1287310713.db2.gz QCXNMPKLGIAIHW-DQEVTTJGSA-N 0 3 346.471 2.826 20 10 EFCDHN COc1ccc(N2CCC(NCc3cnn(C)c3Cl)CC2)cc1 ZINC000815122091 1287315466 /nfs/dbraw/zinc/31/54/66/1287315466.db2.gz RDKAQIFBIOJTKO-UHFFFAOYSA-N 0 3 334.851 2.841 20 10 EFCDHN COc1ccc(CNC(=O)NC[C@@H](c2ccccc2)N(C)C)c(O)c1 ZINC000792779966 1279172756 /nfs/dbraw/zinc/17/27/56/1279172756.db2.gz LXOGCMUOAUFNSA-KRWDZBQOSA-N 0 3 343.427 2.503 20 10 EFCDHN CC(C)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCS(=O)(=O)C1 ZINC000792861285 1279198276 /nfs/dbraw/zinc/19/82/76/1279198276.db2.gz AJLARNYJHXXZEN-KRWDZBQOSA-N 0 3 338.517 2.788 20 10 EFCDHN CN(C)c1ccc(CN2CCCNC(=O)[C@H]2Cc2ccccc2)cc1 ZINC000815140773 1287343665 /nfs/dbraw/zinc/34/36/65/1287343665.db2.gz IXAIBKFFMNRBHL-HXUWFJFHSA-N 0 3 337.467 2.686 20 10 EFCDHN COc1ccc(C[NH2+]Cc2ccc(Cl)cc2-n2cncn2)c([O-])c1 ZINC000793389018 1279614145 /nfs/dbraw/zinc/61/41/45/1279614145.db2.gz SQFSLBBHXOTDJL-UHFFFAOYSA-N 0 3 344.802 2.925 20 10 EFCDHN COC(=O)[C@H](Cc1ccccc1)[C@@H](C)[NH2+]Cc1c([O-])cccc1OC ZINC000793610055 1279772151 /nfs/dbraw/zinc/77/21/51/1279772151.db2.gz OCTZFDHSRSGAKU-GDBMZVCRSA-N 0 3 343.423 2.911 20 10 EFCDHN COc1cccc(CN2CCN(C)[C@H](Cc3ccccc3)C2)c1O ZINC000793621571 1279780364 /nfs/dbraw/zinc/78/03/64/1279780364.db2.gz YRONWZFHPIYJAP-GOSISDBHSA-N 0 3 326.440 2.760 20 10 EFCDHN COc1cccc([C@H](C)N[C@@H]2CCN(c3ccccc3)C2=O)c1O ZINC000846148514 1280037754 /nfs/dbraw/zinc/03/77/54/1280037754.db2.gz FUCJOIDZZOAKNN-XJKSGUPXSA-N 0 3 326.396 2.857 20 10 EFCDHN COc1cccc([C@H](C)N[C@@H]2CCN(c3ccccc3F)C2=O)c1O ZINC000846150217 1280038130 /nfs/dbraw/zinc/03/81/30/1280038130.db2.gz BRRYRRITJYWADB-SWLSCSKDSA-N 0 3 344.386 2.996 20 10 EFCDHN COc1cccc([C@H](C)N[C@@H]2CCN(c3ccc(F)cc3)C2=O)c1O ZINC000846171821 1280047042 /nfs/dbraw/zinc/04/70/42/1280047042.db2.gz IBRCALDOMUASIU-BLLLJJGKSA-N 0 3 344.386 2.996 20 10 EFCDHN COc1cccc([C@H](C)N[C@@H]2CCN(Cc3ccccc3)C2=O)c1O ZINC000846145387 1280051812 /nfs/dbraw/zinc/05/18/12/1280051812.db2.gz ALDPAFLIVJUUNX-WMLDXEAASA-N 0 3 340.423 2.853 20 10 EFCDHN COc1cccc([C@H](C)NCCS(=O)(=O)c2ccccc2)c1O ZINC000846146997 1280053381 /nfs/dbraw/zinc/05/33/81/1280053381.db2.gz ULRVHJNTGLUERK-ZDUSSCGKSA-N 0 3 335.425 2.525 20 10 EFCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CCN2CCCC2=O)c1[O-] ZINC000846205129 1280070870 /nfs/dbraw/zinc/07/08/70/1280070870.db2.gz FCDWGZPLWCQGML-NSHDSACASA-N 0 3 341.249 2.736 20 10 EFCDHN C[C@H]1C[C@H]([NH2+]Cc2cc(=O)n3ccccc3n2)c2c1c(F)ccc2[O-] ZINC000846212713 1280084853 /nfs/dbraw/zinc/08/48/53/1280084853.db2.gz FNFBWBNXLLLFFW-FZMZJTMJSA-N 0 3 339.370 2.877 20 10 EFCDHN C[C@H]1C[C@H](NCc2cc(=O)n3ccccc3n2)c2c1c(F)ccc2O ZINC000846212713 1280084860 /nfs/dbraw/zinc/08/48/60/1280084860.db2.gz FNFBWBNXLLLFFW-FZMZJTMJSA-N 0 3 339.370 2.877 20 10 EFCDHN COc1ccc(N(C)CCN(C)C(=O)c2ccc3c(c2)CNC3)cc1 ZINC000846697106 1280427953 /nfs/dbraw/zinc/42/79/53/1280427953.db2.gz KMFLJGNJOONPTE-UHFFFAOYSA-N 0 3 339.439 2.507 20 10 EFCDHN O=C(CCCc1ccccc1)NCC[NH2+]Cc1cc(F)ccc1[O-] ZINC000822497917 1289016321 /nfs/dbraw/zinc/01/63/21/1289016321.db2.gz OGIFVMOIVVFYIF-UHFFFAOYSA-N 0 3 330.403 2.760 20 10 EFCDHN COc1cccc([O-])c1C[NH2+]CCCn1cc(Br)cn1 ZINC000808436861 1281711109 /nfs/dbraw/zinc/71/11/09/1281711109.db2.gz SEHFLFQHBUMHHD-UHFFFAOYSA-N 0 3 340.221 2.540 20 10 EFCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H]2CC[C@H](C(=O)N(C)C)O2)c1[O-] ZINC000808710309 1281867600 /nfs/dbraw/zinc/86/76/00/1281867600.db2.gz OYZNNMCEJBOHNS-NJZAAPMLSA-N 0 3 340.851 2.640 20 10 EFCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CC2(S(C)(=O)=O)CCC2)c1[O-] ZINC000808717333 1281870930 /nfs/dbraw/zinc/87/09/30/1281870930.db2.gz CEDABUQNLBMMHJ-NSHDSACASA-N 0 3 331.865 2.972 20 10 EFCDHN CCOc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)c([O-])c1 ZINC000809697521 1282381132 /nfs/dbraw/zinc/38/11/32/1282381132.db2.gz IIZVRJRQKFMAIS-GXTWGEPZSA-N 0 3 333.350 2.784 20 10 EFCDHN CCOc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)c([O-])c1 ZINC000809697521 1282381141 /nfs/dbraw/zinc/38/11/41/1282381141.db2.gz IIZVRJRQKFMAIS-GXTWGEPZSA-N 0 3 333.350 2.784 20 10 EFCDHN CCN1CCN(Cc2cc(Br)cc(OC)c2O)[C@H](C)C1 ZINC000809698133 1282383018 /nfs/dbraw/zinc/38/30/18/1282383018.db2.gz WKJGVBXSHYNGDL-LLVKDONJSA-N 0 3 343.265 2.689 20 10 EFCDHN CC[C@H]([NH2+]C[C@H]1CCCC[C@@H]1NS(C)(=O)=O)c1ccccc1[O-] ZINC000809701385 1282388548 /nfs/dbraw/zinc/38/85/48/1282388548.db2.gz FGZPCZTXVSMECK-KBMXLJTQSA-N 0 3 340.489 2.541 20 10 EFCDHN CCN(CC)c1ccc(CN2C[C@H](N3CCOCC3)C[C@H]2C)cc1F ZINC000809700797 1282390006 /nfs/dbraw/zinc/39/00/06/1282390006.db2.gz OIEQXZFWDUGTHX-SJLPKXTDSA-N 0 3 349.494 2.967 20 10 EFCDHN CCOc1ccc(C[N@@H+]2CCCC[C@H]2COC(=O)N(C)C)c([O-])c1 ZINC000809709134 1282420074 /nfs/dbraw/zinc/42/00/74/1282420074.db2.gz NIRXZNHZKHVUOD-HNNXBMFYSA-N 0 3 336.432 2.844 20 10 EFCDHN CCOc1ccc(C[N@H+]2CCCC[C@H]2COC(=O)N(C)C)c([O-])c1 ZINC000809709134 1282420079 /nfs/dbraw/zinc/42/00/79/1282420079.db2.gz NIRXZNHZKHVUOD-HNNXBMFYSA-N 0 3 336.432 2.844 20 10 EFCDHN CCOc1ccc(CN2CCCC[C@H]2COC(=O)N(C)C)c(O)c1 ZINC000809709134 1282420083 /nfs/dbraw/zinc/42/00/83/1282420083.db2.gz NIRXZNHZKHVUOD-HNNXBMFYSA-N 0 3 336.432 2.844 20 10 EFCDHN CN(Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C[C@@H](O)C1CC1 ZINC000809750916 1282455120 /nfs/dbraw/zinc/45/51/20/1282455120.db2.gz BRNOSEXIRFJUOL-GOSISDBHSA-N 0 3 333.432 2.788 20 10 EFCDHN CN(Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C[C@H](O)C1CC1 ZINC000809750917 1282455599 /nfs/dbraw/zinc/45/55/99/1282455599.db2.gz BRNOSEXIRFJUOL-SFHVURJKSA-N 0 3 333.432 2.788 20 10 EFCDHN CCOCc1cc(CNCc2ccc(CC(N)=O)cc2)ccc1OC ZINC000810158745 1282988456 /nfs/dbraw/zinc/98/84/56/1282988456.db2.gz SRZCTUCUOZXEDH-UHFFFAOYSA-N 0 3 342.439 2.549 20 10 EFCDHN CC[C@H]([NH2+]C[C@]1(O)CCN(C)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810238079 1283089074 /nfs/dbraw/zinc/08/90/74/1283089074.db2.gz XXWIKPGSKCWGED-DZGCQCFKSA-N 0 3 332.366 2.518 20 10 EFCDHN CS(=O)(=O)CC[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815571077 1287627255 /nfs/dbraw/zinc/62/72/55/1287627255.db2.gz UBWYMXBCNVJELA-KRWDZBQOSA-N 0 3 333.453 2.700 20 10 EFCDHN [O-]c1cc2c(cc1C[NH+]1CCC3(CCSCC3)CC1)[C@@H](O)CO2 ZINC000872645980 1287715714 /nfs/dbraw/zinc/71/57/14/1287715714.db2.gz VSAAWCKPPOTDCV-INIZCTEOSA-N 0 3 335.469 2.927 20 10 EFCDHN CON(C)C(=O)C1CC[NH+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000812292699 1285057104 /nfs/dbraw/zinc/05/71/04/1285057104.db2.gz KYNRGRGIPLGNPK-UHFFFAOYSA-N 0 3 328.412 2.777 20 10 EFCDHN Cc1ccc(C(=O)N[C@@H](CN(C)C)c2ccc(F)cc2)c(O)c1O ZINC000813618035 1286026281 /nfs/dbraw/zinc/02/62/81/1286026281.db2.gz HAUCFHWRRIBYPG-HNNXBMFYSA-N 0 3 332.375 2.578 20 10 EFCDHN CN(C)C[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1ccc(F)cc1 ZINC000813617899 1286026420 /nfs/dbraw/zinc/02/64/20/1286026420.db2.gz FECWNYMPWNSEGQ-IGKXFLDPSA-N 0 3 344.386 2.669 20 10 EFCDHN COC(=O)[C@@]1(c2ccccc2)CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000814170756 1286373801 /nfs/dbraw/zinc/37/38/01/1286373801.db2.gz BNSQTMXJLWLMHN-IBGZPJMESA-N 0 3 329.371 2.848 20 10 EFCDHN COC(=O)[C@@]1(c2ccccc2)CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000814170756 1286373809 /nfs/dbraw/zinc/37/38/09/1286373809.db2.gz BNSQTMXJLWLMHN-IBGZPJMESA-N 0 3 329.371 2.848 20 10 EFCDHN CN(C)CC[N@@H+](Cc1cc(Cl)c(F)cc1[O-])C[C@H]1CCCO1 ZINC000816610719 1288224966 /nfs/dbraw/zinc/22/49/66/1288224966.db2.gz VWZLORAZXCBBKS-CYBMUJFWSA-N 0 3 330.831 2.727 20 10 EFCDHN CN(C)CC[N@H+](Cc1cc(Cl)c(F)cc1[O-])C[C@H]1CCCO1 ZINC000816610719 1288224971 /nfs/dbraw/zinc/22/49/71/1288224971.db2.gz VWZLORAZXCBBKS-CYBMUJFWSA-N 0 3 330.831 2.727 20 10 EFCDHN CC[C@@H]1CN(C)CCN1Cc1cc(Br)cc(OC)c1O ZINC000816660349 1288232705 /nfs/dbraw/zinc/23/27/05/1288232705.db2.gz AICLXAPHJURMDX-CYBMUJFWSA-N 0 3 343.265 2.689 20 10 EFCDHN COc1cc(Br)cc(CN2CCC[C@@H](O)CC2)c1O ZINC000816667456 1288235419 /nfs/dbraw/zinc/23/54/19/1288235419.db2.gz NTLHOUBCGNGOKS-GFCCVEGCSA-N 0 3 330.222 2.510 20 10 EFCDHN COc1cc(Br)cc(CN2CCC[C@H](CO)CC2)c1O ZINC000816666525 1288235915 /nfs/dbraw/zinc/23/59/15/1288235915.db2.gz OZKRJBRLLBOEIG-NSHDSACASA-N 0 3 344.249 2.758 20 10 EFCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@H](CC(F)(F)F)C1)[C@H](O)CO2 ZINC000817365477 1288579328 /nfs/dbraw/zinc/57/93/28/1288579328.db2.gz UDNPCIWEMZUGOH-QMTHXVAHSA-N 0 3 331.334 2.982 20 10 EFCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@H](CC(F)(F)F)C1)[C@H](O)CO2 ZINC000817365477 1288579331 /nfs/dbraw/zinc/57/93/31/1288579331.db2.gz UDNPCIWEMZUGOH-QMTHXVAHSA-N 0 3 331.334 2.982 20 10 EFCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H](CC(F)(F)F)C1)[C@H](O)CO2 ZINC000817365476 1288579518 /nfs/dbraw/zinc/57/95/18/1288579518.db2.gz UDNPCIWEMZUGOH-IINYFYTJSA-N 0 3 331.334 2.982 20 10 EFCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H](CC(F)(F)F)C1)[C@H](O)CO2 ZINC000817365476 1288579519 /nfs/dbraw/zinc/57/95/19/1288579519.db2.gz UDNPCIWEMZUGOH-IINYFYTJSA-N 0 3 331.334 2.982 20 10 EFCDHN COc1cc(Br)cc(CN2C[C@@H](C)C[C@H](CO)C2)c1O ZINC000817412551 1288591367 /nfs/dbraw/zinc/59/13/67/1288591367.db2.gz MLNNKAMNAQGANH-QWRGUYRKSA-N 0 3 344.249 2.614 20 10 EFCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CC2(CC(N)=O)CC2)c1[O-] ZINC000817586222 1288664934 /nfs/dbraw/zinc/66/49/34/1288664934.db2.gz MMRDGNBADOIAHV-SNVBAGLBSA-N 0 3 341.249 2.769 20 10 EFCDHN COC(=O)c1c(CN2C[C@H](CO)CC[C@@H]2C)c2ccccc2n1C ZINC001232401906 1312693940 /nfs/dbraw/zinc/69/39/40/1312693940.db2.gz GJDBOLIDQCIEDQ-UONOGXRCSA-N 0 3 330.428 2.558 20 10 EFCDHN COC(=O)c1c(CN2CC(C)(C)C[C@]2(C)CO)c2ccccc2n1C ZINC001232401867 1312694205 /nfs/dbraw/zinc/69/42/05/1312694205.db2.gz DVYBNLGGZJBWQX-HXUWFJFHSA-N 0 3 344.455 2.948 20 10 EFCDHN COC(=O)c1c(CN2CCCC[C@@](C)(O)C2)c2ccccc2n1C ZINC001232403391 1312694682 /nfs/dbraw/zinc/69/46/82/1312694682.db2.gz XIJMFWLVLZUYMQ-LJQANCHMSA-N 0 3 330.428 2.702 20 10 EFCDHN COC(=O)c1c(CN2CCC[C@@H](CO)CC2)c2ccccc2n1C ZINC001232403156 1312695010 /nfs/dbraw/zinc/69/50/10/1312695010.db2.gz VLDMGBMTJSQMLH-CQSZACIVSA-N 0 3 330.428 2.559 20 10 EFCDHN COC(=O)c1c(CN2CC[C@H]3OCC[C@H]3C2)c2ccccc2n1C ZINC001232405574 1312695823 /nfs/dbraw/zinc/69/58/23/1312695823.db2.gz MXJBQNLLKQVVOF-SUMWQHHRSA-N 0 3 328.412 2.576 20 10 EFCDHN CCOc1ccc(C[N@@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)c([O-])c1 ZINC000824608401 1289723756 /nfs/dbraw/zinc/72/37/56/1289723756.db2.gz GQNYJIUBRLWOIN-CQSZACIVSA-N 0 3 334.460 2.905 20 10 EFCDHN CCOc1ccc(C[N@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)c([O-])c1 ZINC000824608401 1289723766 /nfs/dbraw/zinc/72/37/66/1289723766.db2.gz GQNYJIUBRLWOIN-CQSZACIVSA-N 0 3 334.460 2.905 20 10 EFCDHN Cc1ccc(O)c(CNC(=O)N[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000875003906 1290439011 /nfs/dbraw/zinc/43/90/11/1290439011.db2.gz FXHKQCKCMGEXKT-SFHVURJKSA-N 0 3 339.439 2.774 20 10 EFCDHN CN(C)c1ccc(CN2CCOC[C@H]2Cc2ccccc2)c(O)c1 ZINC001232840527 1312792932 /nfs/dbraw/zinc/79/29/32/1312792932.db2.gz CCCFCFLGWXITBJ-LJQANCHMSA-N 0 3 326.440 2.902 20 10 EFCDHN Cc1ccc(O)c(CN2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000092048096 1290630549 /nfs/dbraw/zinc/63/05/49/1290630549.db2.gz NJBRCAYPXQDGHP-UHFFFAOYSA-N 0 3 327.384 2.931 20 10 EFCDHN CO[C@H](C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1)C1CCOCC1 ZINC000876531691 1290936766 /nfs/dbraw/zinc/93/67/66/1290936766.db2.gz MKDCJOJQJLLSBX-AZUAARDMSA-N 0 3 349.471 2.815 20 10 EFCDHN CO[C@H](C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1)C1CCOCC1 ZINC000876531691 1290936772 /nfs/dbraw/zinc/93/67/72/1290936772.db2.gz MKDCJOJQJLLSBX-AZUAARDMSA-N 0 3 349.471 2.815 20 10 EFCDHN CO[C@H](C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1)C1CCOCC1 ZINC000876531694 1290937179 /nfs/dbraw/zinc/93/71/79/1290937179.db2.gz MKDCJOJQJLLSBX-UYAOXDASSA-N 0 3 349.471 2.815 20 10 EFCDHN CO[C@H](C[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1)C1CCOCC1 ZINC000876531694 1290937188 /nfs/dbraw/zinc/93/71/88/1290937188.db2.gz MKDCJOJQJLLSBX-UYAOXDASSA-N 0 3 349.471 2.815 20 10 EFCDHN CO[C@@H](C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1)C1CCOCC1 ZINC000876531693 1290937514 /nfs/dbraw/zinc/93/75/14/1290937514.db2.gz MKDCJOJQJLLSBX-QUCCMNQESA-N 0 3 349.471 2.815 20 10 EFCDHN CO[C@@H](C[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1)C1CCOCC1 ZINC000876531693 1290937518 /nfs/dbraw/zinc/93/75/18/1290937518.db2.gz MKDCJOJQJLLSBX-QUCCMNQESA-N 0 3 349.471 2.815 20 10 EFCDHN CCc1cc(N2CCC[C@@H]([NH2+]Cc3c(C)cccc3[O-])C2)ncn1 ZINC000877009808 1291106927 /nfs/dbraw/zinc/10/69/27/1291106927.db2.gz AVJIVWWKKFHRCU-MRXNPFEDSA-N 0 3 326.444 2.812 20 10 EFCDHN CC[C@H]1CN(Cc2ccccc2)CCN1Cc1cc(O)c(O)c(O)c1 ZINC001233015527 1312832590 /nfs/dbraw/zinc/83/25/90/1312832590.db2.gz QPMBJXPJVRKLEB-KRWDZBQOSA-N 0 3 342.439 2.900 20 10 EFCDHN Oc1cc(CN(Cc2ccccc2)C2CCOCC2)cc(O)c1O ZINC001233013979 1312832817 /nfs/dbraw/zinc/83/28/17/1312832817.db2.gz VVVHYOBXRRANQZ-UHFFFAOYSA-N 0 3 329.396 2.985 20 10 EFCDHN COc1cc(C[C@@H](CO)C[NH2+]Cc2ccc(C)cc2[O-])cc(OC)c1 ZINC000877076047 1291126337 /nfs/dbraw/zinc/12/63/37/1291126337.db2.gz IUPRFEMFNWNMRN-MRXNPFEDSA-N 0 3 345.439 2.659 20 10 EFCDHN Cc1cccc([O-])c1C[N@H+]1C[C@@H](c2cnn(C)c2)C2(C1)CCOCC2 ZINC000877563919 1291277808 /nfs/dbraw/zinc/27/78/08/1291277808.db2.gz QLYDODNCBKTBEO-SFHVURJKSA-N 0 3 341.455 2.830 20 10 EFCDHN Cc1cccc([O-])c1C[N@@H+]1C[C@@H](c2cnn(C)c2)C2(C1)CCOCC2 ZINC000877563919 1291277812 /nfs/dbraw/zinc/27/78/12/1291277812.db2.gz QLYDODNCBKTBEO-SFHVURJKSA-N 0 3 341.455 2.830 20 10 EFCDHN CN1CCN(c2cc[nH+]c(NCc3cccc(Cl)c3[O-])c2)CC1 ZINC000877691978 1291331013 /nfs/dbraw/zinc/33/10/13/1291331013.db2.gz ZHKSEBQTJYMNKM-UHFFFAOYSA-N 0 3 332.835 2.805 20 10 EFCDHN CCOc1ccc(O)c(CN2CCCN(C(=O)CC(C)C)CC2)c1 ZINC000877775242 1291371092 /nfs/dbraw/zinc/37/10/92/1291371092.db2.gz WJFIKXUTRCRFJR-UHFFFAOYSA-N 0 3 334.460 2.871 20 10 EFCDHN CCOC(=O)c1c(CN2[C@@H](C)CC[C@H]2CO)c2ccccc2n1C ZINC001233270178 1312889374 /nfs/dbraw/zinc/88/93/74/1312889374.db2.gz DHCOPEVVVDNOFM-KBPBESRZSA-N 0 3 330.428 2.700 20 10 EFCDHN CCOC(=O)c1c(CN2CCC3(COC3)CC2)c2ccccc2n1C ZINC001233270762 1312889767 /nfs/dbraw/zinc/88/97/67/1312889767.db2.gz ZROQDHWXBBBGHT-UHFFFAOYSA-N 0 3 342.439 2.967 20 10 EFCDHN CCOC(=O)c1c(CN2CCN(C(C)C)CC2)c2ccccc2n1C ZINC001233270616 1312890253 /nfs/dbraw/zinc/89/02/53/1312890253.db2.gz UBQCHRIIESMMGG-UHFFFAOYSA-N 0 3 343.471 2.881 20 10 EFCDHN COc1cc(Cl)cc(CN2CCC(N3CC(F)(F)C3)CC2)c1O ZINC001233290380 1312896151 /nfs/dbraw/zinc/89/61/51/1312896151.db2.gz ZQFYLKWGTULBHJ-UHFFFAOYSA-N 0 3 346.805 2.970 20 10 EFCDHN COc1ccc(O)c([C@@H](C)N[C@@H](C)C(=O)NCCc2ccccc2)c1 ZINC000775372505 1292102312 /nfs/dbraw/zinc/10/23/12/1292102312.db2.gz CRCZPVPGVBWCOK-CABCVRRESA-N 0 3 342.439 2.799 20 10 EFCDHN COc1ccc(O)c([C@H](C)NCC(=O)N(CC(F)(F)F)C(C)C)c1 ZINC000775376696 1292124465 /nfs/dbraw/zinc/12/44/65/1292124465.db2.gz YCAGHFVXDFKSHB-NSHDSACASA-N 0 3 348.365 2.851 20 10 EFCDHN COc1ccc(N2CCN(CCCCCCCO)CC2)c(OC)c1 ZINC000879462991 1292145763 /nfs/dbraw/zinc/14/57/63/1292145763.db2.gz YCAGANOQJCAZOK-UHFFFAOYSA-N 0 3 336.476 2.769 20 10 EFCDHN C[C@@H]([NH2+]CC(=O)NCCOc1ccc(Cl)cc1)c1ccccc1[O-] ZINC000879647946 1292217185 /nfs/dbraw/zinc/21/71/85/1292217185.db2.gz RUPDURUPAVIFCL-CYBMUJFWSA-N 0 3 348.830 2.891 20 10 EFCDHN CCOCc1ccc(CNC(=O)C[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000879648377 1292217672 /nfs/dbraw/zinc/21/76/72/1292217672.db2.gz LZCNWFHAPIVWOG-OAHLLOKOSA-N 0 3 342.439 2.896 20 10 EFCDHN COCc1ccccc1CNC(=O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000879648254 1292218324 /nfs/dbraw/zinc/21/83/24/1292218324.db2.gz GUHFWDHTRPLFRV-CQSZACIVSA-N 0 3 328.412 2.506 20 10 EFCDHN CCOC(=O)c1ccccc1NC(=O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000879648235 1292218834 /nfs/dbraw/zinc/21/88/34/1292218834.db2.gz FXRKOFHUPZPCBF-CYBMUJFWSA-N 0 3 342.395 2.858 20 10 EFCDHN C[C@@H]([NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccccc1[O-] ZINC000879649002 1292218979 /nfs/dbraw/zinc/21/89/79/1292218979.db2.gz IULULUGSBWKNGU-OAHLLOKOSA-N 0 3 341.455 2.767 20 10 EFCDHN CC[C@H]([NH2+]CC(=O)NCCc1ccccc1OC)c1ccccc1[O-] ZINC000775414557 1292337261 /nfs/dbraw/zinc/33/72/61/1292337261.db2.gz IACMXHFBRCQASF-KRWDZBQOSA-N 0 3 342.439 2.800 20 10 EFCDHN C[C@@H]1CN(Cc2cc(O)c(O)cc2O)[C@@H](C)CN1Cc1ccccc1 ZINC001233482448 1312939900 /nfs/dbraw/zinc/93/99/00/1312939900.db2.gz NZUHUBDPDPMUSH-CABCVRRESA-N 0 3 342.439 2.898 20 10 EFCDHN Cc1cccnc1O[C@@H]1CCCN(Cc2cc(O)c(O)cc2O)C1 ZINC001233486806 1312940585 /nfs/dbraw/zinc/94/05/85/1312940585.db2.gz CXJLCFSFBOQRJY-CQSZACIVSA-N 0 3 330.384 2.550 20 10 EFCDHN CCNC(=O)[C@H](C)NCc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796256927 1292650043 /nfs/dbraw/zinc/65/00/43/1292650043.db2.gz JWNCKDAYRONKFD-INIZCTEOSA-N 0 3 337.467 2.864 20 10 EFCDHN [O-]c1ccccc1C[N@@H+]1CC[C@H]2O[C@@H](COc3cccnc3)CC[C@H]21 ZINC001203553053 1312955177 /nfs/dbraw/zinc/95/51/77/1312955177.db2.gz ZPCDOQKENSGGAZ-QWFCFKBJSA-N 0 3 340.423 2.988 20 10 EFCDHN [O-]c1ccccc1C[N@H+]1CC[C@H]2O[C@@H](COc3cccnc3)CC[C@H]21 ZINC001203553053 1312955180 /nfs/dbraw/zinc/95/51/80/1312955180.db2.gz ZPCDOQKENSGGAZ-QWFCFKBJSA-N 0 3 340.423 2.988 20 10 EFCDHN CC[C@H]([NH2+][C@H](C)CN1CCN(C)CC1)c1cc(Cl)ccc1[O-] ZINC000775500910 1292783128 /nfs/dbraw/zinc/78/31/28/1292783128.db2.gz AUMQZYBLTOLXNL-CJNGLKHVSA-N 0 3 325.884 2.722 20 10 EFCDHN [O-]c1ccccc1C[NH+]1CCC2(C[C@@H](c3cncnc3)CO2)CC1 ZINC001203551554 1312953900 /nfs/dbraw/zinc/95/39/00/1312953900.db2.gz IAQZUHVJBYCDHN-MRXNPFEDSA-N 0 3 325.412 2.721 20 10 EFCDHN [O-]c1ccccc1C[N@@H+]1CC[C@H]2[C@H](CCN2Cc2nccs2)C1 ZINC001203552243 1312954061 /nfs/dbraw/zinc/95/40/61/1312954061.db2.gz GADMBYIATGWHEB-ZBFHGGJFSA-N 0 3 329.469 2.945 20 10 EFCDHN [O-]c1ccccc1C[N@H+]1CC[C@H]2[C@H](CCN2Cc2nccs2)C1 ZINC001203552243 1312954063 /nfs/dbraw/zinc/95/40/63/1312954063.db2.gz GADMBYIATGWHEB-ZBFHGGJFSA-N 0 3 329.469 2.945 20 10 EFCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@@]2(C[C@@H](Oc3ccccn3)CO2)C1 ZINC001203555514 1312955004 /nfs/dbraw/zinc/95/50/04/1312955004.db2.gz BOZDXFCVHUUGDA-YLJYHZDGSA-N 0 3 340.423 2.990 20 10 EFCDHN [O-]c1ccccc1C[N@H+]1CCC[C@@]2(C[C@@H](Oc3ccccn3)CO2)C1 ZINC001203555514 1312955008 /nfs/dbraw/zinc/95/50/08/1312955008.db2.gz BOZDXFCVHUUGDA-YLJYHZDGSA-N 0 3 340.423 2.990 20 10 EFCDHN CC[C@@H]([NH2+]Cc1ccc2c(c1)CCS2(=O)=O)c1ccccc1[O-] ZINC000775527905 1292892190 /nfs/dbraw/zinc/89/21/90/1292892190.db2.gz VZWYQZPSWZZCCH-MRXNPFEDSA-N 0 3 331.437 2.963 20 10 EFCDHN COc1cccc(CN2CC[C@@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)c1O ZINC001203590009 1312964846 /nfs/dbraw/zinc/96/48/46/1312964846.db2.gz QLIOPXGPFPXSJG-LSDHHAIUSA-N 0 3 348.443 2.985 20 10 EFCDHN COc1cccc(CN2CCC(Oc3ccc(Cl)nn3)CC2)c1O ZINC001203599605 1312967638 /nfs/dbraw/zinc/96/76/38/1312967638.db2.gz JMCCVLDMLVMRIW-UHFFFAOYSA-N 0 3 349.818 2.888 20 10 EFCDHN COc1cccc(OC2CCN(Cc3cccc(OC)c3O)CC2)n1 ZINC001203601958 1312968026 /nfs/dbraw/zinc/96/80/26/1312968026.db2.gz SRUNGNHRTDCNAZ-UHFFFAOYSA-N 0 3 344.411 2.848 20 10 EFCDHN CCOc1cccc(CN2CCC[C@@H](NC(=O)C3CCC3)C2)c1O ZINC001203617324 1312972494 /nfs/dbraw/zinc/97/24/94/1312972494.db2.gz NLGJAGQKRFFDPH-MRXNPFEDSA-N 0 3 332.444 2.672 20 10 EFCDHN CCOc1cccc(CN2CCC[C@H](Oc3nccnc3C)C2)c1O ZINC001203617384 1312972643 /nfs/dbraw/zinc/97/26/43/1312972643.db2.gz PGFJPRYRZHKEPZ-INIZCTEOSA-N 0 3 343.427 2.933 20 10 EFCDHN COc1ccc(C[NH+]2CCC(O)(Cc3ccccc3)CC2)c([O-])c1 ZINC001203616920 1312972708 /nfs/dbraw/zinc/97/27/08/1312972708.db2.gz AJQXVCDXFAFKPV-UHFFFAOYSA-N 0 3 327.424 2.970 20 10 EFCDHN COc1ccc(C[NH+]2CCC3(C[C@@H]3C(=O)NC3CCC3)CC2)c([O-])c1 ZINC001203622699 1312973722 /nfs/dbraw/zinc/97/37/22/1312973722.db2.gz ANLWDHYIDPGBBI-QGZVFWFLSA-N 0 3 344.455 2.672 20 10 EFCDHN COCC[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1ccc(OC)cc1[O-])C2 ZINC001203623625 1312974579 /nfs/dbraw/zinc/97/45/79/1312974579.db2.gz VJCORIAGXRQZLK-HNAYVOBHSA-N 0 3 335.444 2.808 20 10 EFCDHN COCC[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1ccc(OC)cc1[O-])C2 ZINC001203623625 1312974583 /nfs/dbraw/zinc/97/45/83/1312974583.db2.gz VJCORIAGXRQZLK-HNAYVOBHSA-N 0 3 335.444 2.808 20 10 EFCDHN COc1ccc(C[N@H+](Cc2cccnc2)C2CCOCC2)c([O-])c1 ZINC001203627987 1312975455 /nfs/dbraw/zinc/97/54/55/1312975455.db2.gz UMHAUMUIERRZGG-UHFFFAOYSA-N 0 3 328.412 2.977 20 10 EFCDHN COc1ccc(C[N@@H+](Cc2cccnc2)C2CCOCC2)c([O-])c1 ZINC001203627987 1312975457 /nfs/dbraw/zinc/97/54/57/1312975457.db2.gz UMHAUMUIERRZGG-UHFFFAOYSA-N 0 3 328.412 2.977 20 10 EFCDHN COc1ccc(C[N@@H+]2CCc3ncnc(C4CC4)c3CC2)c([O-])c1 ZINC001203630939 1312976291 /nfs/dbraw/zinc/97/62/91/1312976291.db2.gz XVYBFSQIIGEUIA-UHFFFAOYSA-N 0 3 325.412 2.669 20 10 EFCDHN COc1ccc(C[N@H+]2CCc3ncnc(C4CC4)c3CC2)c([O-])c1 ZINC001203630939 1312976295 /nfs/dbraw/zinc/97/62/95/1312976295.db2.gz XVYBFSQIIGEUIA-UHFFFAOYSA-N 0 3 325.412 2.669 20 10 EFCDHN COc1ccc(C[NH+]2CCC(Oc3ncc(C)cn3)CC2)c([O-])c1 ZINC001203635501 1312977595 /nfs/dbraw/zinc/97/75/95/1312977595.db2.gz YPHHTHAWSQMTIK-UHFFFAOYSA-N 0 3 329.400 2.543 20 10 EFCDHN COc1ccc(CN2CCC(Oc3ncc(C)cn3)CC2)c(O)c1 ZINC001203635501 1312977598 /nfs/dbraw/zinc/97/75/98/1312977598.db2.gz YPHHTHAWSQMTIK-UHFFFAOYSA-N 0 3 329.400 2.543 20 10 EFCDHN COC(=O)[C@H]1C[N@H+](Cc2ccc(OC)cc2[O-])C[C@H]1c1ccccc1 ZINC001203635320 1312977832 /nfs/dbraw/zinc/97/78/32/1312977832.db2.gz PNRGSYKGHQDATC-ROUUACIJSA-N 0 3 341.407 2.789 20 10 EFCDHN COC(=O)[C@H]1C[N@@H+](Cc2ccc(OC)cc2[O-])C[C@H]1c1ccccc1 ZINC001203635320 1312977837 /nfs/dbraw/zinc/97/78/37/1312977837.db2.gz PNRGSYKGHQDATC-ROUUACIJSA-N 0 3 341.407 2.789 20 10 EFCDHN COc1ccc(C[NH+]2CCC(Oc3cc(C)ncn3)CC2)c([O-])c1 ZINC001203635469 1312977883 /nfs/dbraw/zinc/97/78/83/1312977883.db2.gz WSPJBMRZDGXQDI-UHFFFAOYSA-N 0 3 329.400 2.543 20 10 EFCDHN COc1ccc(O)c(CN2CC[C@H](F)[C@@](O)(C(F)(F)F)CC2)c1 ZINC001203670292 1312985400 /nfs/dbraw/zinc/98/54/00/1312985400.db2.gz MKZWYKBHISVBTQ-UONOGXRCSA-N 0 3 337.313 2.628 20 10 EFCDHN O=C1CCC2(CC[NH+](Cc3cccc(OC(F)(F)F)c3[O-])CC2)O1 ZINC001233761332 1312986319 /nfs/dbraw/zinc/98/63/19/1312986319.db2.gz RKVIORAABZEMOI-UHFFFAOYSA-N 0 3 345.317 2.962 20 10 EFCDHN Oc1ccc(CN2CC[C@H]3[C@@H](CCN3Cc3nccs3)C2)cc1O ZINC001203876661 1313039139 /nfs/dbraw/zinc/03/91/39/1313039139.db2.gz HBMCRYNVINRPNV-GJZGRUSLSA-N 0 3 345.468 2.651 20 10 EFCDHN Oc1ccc(CN2CCc3ncnc(-c4cccnc4)c3CC2)cc1O ZINC001203876576 1313039298 /nfs/dbraw/zinc/03/92/98/1313039298.db2.gz FYVSRZZVXQKIHB-UHFFFAOYSA-N 0 3 348.406 2.551 20 10 EFCDHN CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(Cc3ccc(O)c(O)c3)C[C@H]21 ZINC001203883645 1313040495 /nfs/dbraw/zinc/04/04/95/1313040495.db2.gz LDXROIWQYJCUAU-RRFJBIMHSA-N 0 3 348.443 2.833 20 10 EFCDHN CN(C)c1ccc(CN2CC[C@@H](F)[C@@](O)(C(F)(F)F)CC2)cc1 ZINC001203931927 1313049946 /nfs/dbraw/zinc/04/99/46/1313049946.db2.gz YQLIEVGOEJOGSJ-HUUCEWRRSA-N 0 3 334.357 2.980 20 10 EFCDHN COc1ccc(O[C@H]2CCN(Cc3ccc(N(C)C)cc3)C2)nc1 ZINC001203936761 1313051013 /nfs/dbraw/zinc/05/10/13/1313051013.db2.gz MSNVSOPGEZFNGD-SFHVURJKSA-N 0 3 327.428 2.810 20 10 EFCDHN Cc1nccnc1O[C@@H]1CCCN(Cc2ccc(N(C)C)cc2)C1 ZINC001203937600 1313051365 /nfs/dbraw/zinc/05/13/65/1313051365.db2.gz ZGMDDBCOJMOIMB-GOSISDBHSA-N 0 3 326.444 2.894 20 10 EFCDHN CN(C)c1ccc(CN2CCC(NC(=O)c3ccccn3)CC2)cc1 ZINC001203937396 1313051606 /nfs/dbraw/zinc/05/16/06/1313051606.db2.gz POVXCVWGKLLRRY-UHFFFAOYSA-N 0 3 338.455 2.542 20 10 EFCDHN CN(C)c1ccc(CN2CCC3(CC2)OC(=O)c2ccncc23)cc1 ZINC001203937085 1313051612 /nfs/dbraw/zinc/05/16/12/1313051612.db2.gz JXKWJOIFRGKQOP-UHFFFAOYSA-N 0 3 337.423 2.809 20 10 EFCDHN Cc1cncnc1OC1CCN(Cc2ccc(N(C)C)cc2)CC1 ZINC001203937555 1313051981 /nfs/dbraw/zinc/05/19/81/1313051981.db2.gz WUQUPNBYSYANLX-UHFFFAOYSA-N 0 3 326.444 2.894 20 10 EFCDHN CN(C)c1ccc(CN2C[C@H]3[C@H](CN3C(=O)OC(C)(C)C)C2)cc1 ZINC001203936659 1313052048 /nfs/dbraw/zinc/05/20/48/1313052048.db2.gz IYSWFAPKULONLT-RDJZCZTQSA-N 0 3 331.460 2.804 20 10 EFCDHN [O-]c1cccc(F)c1C[NH2+][C@@]12CC[C@@](NCc3cn[nH]c3)(C1)CCC2 ZINC001276354034 1294568897 /nfs/dbraw/zinc/56/88/97/1294568897.db2.gz DLELWGLMUFNXED-MOPGFXCFSA-N 0 3 344.434 2.979 20 10 EFCDHN COc1cc(Br)cc(C[NH2+]C[C@@](C)(O)C(C)C)c1[O-] ZINC000304063068 1294658103 /nfs/dbraw/zinc/65/81/03/1294658103.db2.gz RHSARMWAVZYGEH-CQSZACIVSA-N 0 3 332.238 2.660 20 10 EFCDHN CC(=O)N1CCC([NH2+]Cc2cc(Br)cc(C)c2[O-])CC1 ZINC000775817018 1294871055 /nfs/dbraw/zinc/87/10/55/1294871055.db2.gz DTQPIYUOCKHCIY-UHFFFAOYSA-N 0 3 341.249 2.564 20 10 EFCDHN C[C@@H](NCC(=O)N1CCc2ccccc2C1)c1ccc(N(C)C)cc1 ZINC000775829949 1294921244 /nfs/dbraw/zinc/92/12/44/1294921244.db2.gz BIICNPPOJGRZQX-MRXNPFEDSA-N 0 3 337.467 2.988 20 10 EFCDHN Cc1ccc2nc(C3CC[NH+](Cc4ccc(O)cc4[O-])CC3)nn2c1 ZINC001204274263 1313113416 /nfs/dbraw/zinc/11/34/16/1313113416.db2.gz LGQUXCTUWIHKDF-UHFFFAOYSA-N 0 3 338.411 2.829 20 10 EFCDHN CC(C)(C)OC(=O)N[C@@H]1CCCC[N@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204276313 1313114048 /nfs/dbraw/zinc/11/40/48/1313114048.db2.gz KDBRIQAUWRRTJN-CQSZACIVSA-N 0 3 336.432 2.977 20 10 EFCDHN CC(C)(C)OC(=O)N[C@@H]1CCCC[N@@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204276313 1313114051 /nfs/dbraw/zinc/11/40/51/1313114051.db2.gz KDBRIQAUWRRTJN-CQSZACIVSA-N 0 3 336.432 2.977 20 10 EFCDHN CC(C)(C)OC(=O)NC[C@@]1(C)CC[N@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204277611 1313114826 /nfs/dbraw/zinc/11/48/26/1313114826.db2.gz GVZRSFGOKSLJLR-GOSISDBHSA-N 0 3 336.432 2.835 20 10 EFCDHN CC(C)(C)OC(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204277611 1313114832 /nfs/dbraw/zinc/11/48/32/1313114832.db2.gz GVZRSFGOKSLJLR-GOSISDBHSA-N 0 3 336.432 2.835 20 10 EFCDHN O=C(NC1CC[NH+](Cc2ccc(O)cc2[O-])CC1)c1cccc(F)c1 ZINC001204277601 1313115255 /nfs/dbraw/zinc/11/52/55/1313115255.db2.gz GKXQXZQFCKAUOL-UHFFFAOYSA-N 0 3 344.386 2.631 20 10 EFCDHN C[N@@H+](Cc1ccc(O)cc1[O-])C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001204278645 1313115309 /nfs/dbraw/zinc/11/53/09/1313115309.db2.gz GSQFJQIDQCYAOP-ZDUSSCGKSA-N 0 3 336.432 2.787 20 10 EFCDHN C[N@H+](Cc1ccc(O)cc1[O-])C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001204278645 1313115310 /nfs/dbraw/zinc/11/53/10/1313115310.db2.gz GSQFJQIDQCYAOP-ZDUSSCGKSA-N 0 3 336.432 2.787 20 10 EFCDHN CC(C)(C)OC(=O)N1CCC[NH+](Cc2ccc(O)cc2[O-])CCC1 ZINC001204277623 1313115502 /nfs/dbraw/zinc/11/55/02/1313115502.db2.gz HCVTZEAFMZUQSG-UHFFFAOYSA-N 0 3 336.432 2.931 20 10 EFCDHN COc1ccc(N2CCN(Cc3ccc(O)cc3O)CC2)c(C)c1 ZINC001204278222 1313115533 /nfs/dbraw/zinc/11/55/33/1313115533.db2.gz YZEQWNUGKMSHNO-UHFFFAOYSA-N 0 3 328.412 2.737 20 10 EFCDHN COc1cccc(CNC(=O)CN[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000775834377 1294977938 /nfs/dbraw/zinc/97/79/38/1294977938.db2.gz NECPTWRDEKJABV-HNNXBMFYSA-N 0 3 341.455 2.728 20 10 EFCDHN COc1cc(Br)cc(CN2CCCC[C@](C)(O)C2)c1O ZINC001204336224 1313124800 /nfs/dbraw/zinc/12/48/00/1313124800.db2.gz HNCYXDOQAVWXQG-HNNXBMFYSA-N 0 3 344.249 2.900 20 10 EFCDHN COc1cc(Br)cc(CN2CC[C@@H]3OCC[C@H]3C2)c1O ZINC001204341578 1313125944 /nfs/dbraw/zinc/12/59/44/1313125944.db2.gz HDBQTXYGGFLUJI-GWCFXTLKSA-N 0 3 342.233 2.774 20 10 EFCDHN COc1cc(CN2C[C@@H]3CN(c4ccccc4)C[C@@H]3C2)cc(O)c1O ZINC001204349855 1313127200 /nfs/dbraw/zinc/12/72/00/1313127200.db2.gz COJXPDGZDXWASD-IYBDPMFKSA-N 0 3 340.423 2.675 20 10 EFCDHN COC(=O)N1CCC[N@H+](Cc2c([O-])ccc3ccc(OC)cc32)CC1 ZINC001234526360 1313145729 /nfs/dbraw/zinc/14/57/29/1313145729.db2.gz UJACIEBAZRFVIN-UHFFFAOYSA-N 0 3 344.411 2.828 20 10 EFCDHN COC(=O)N1CCC[N@@H+](Cc2c([O-])ccc3ccc(OC)cc32)CC1 ZINC001234526360 1313145731 /nfs/dbraw/zinc/14/57/31/1313145731.db2.gz UJACIEBAZRFVIN-UHFFFAOYSA-N 0 3 344.411 2.828 20 10 EFCDHN COc1ccc2ccc(O)c(CN3CCO[C@@H]4C[C@H](CO)C[C@H]43)c2c1 ZINC001234526368 1313145742 /nfs/dbraw/zinc/14/57/42/1313145742.db2.gz UWQDRVBKNGTNEC-CFSSXQINSA-N 0 3 343.423 2.526 20 10 EFCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCC[C@]4(CNC(=O)O4)C3)c2c1 ZINC001234562162 1313158273 /nfs/dbraw/zinc/15/82/73/1313158273.db2.gz IYXDRNBLLBQONL-IBGZPJMESA-N 0 3 342.395 2.628 20 10 EFCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCC[C@]4(CNC(=O)O4)C3)c2c1 ZINC001234562162 1313158277 /nfs/dbraw/zinc/15/82/77/1313158277.db2.gz IYXDRNBLLBQONL-IBGZPJMESA-N 0 3 342.395 2.628 20 10 EFCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCC[C@@]4(CNC(=O)O4)C3)c2c1 ZINC001234562166 1313158434 /nfs/dbraw/zinc/15/84/34/1313158434.db2.gz IYXDRNBLLBQONL-LJQANCHMSA-N 0 3 342.395 2.628 20 10 EFCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCC[C@@]4(CNC(=O)O4)C3)c2c1 ZINC001234562166 1313158436 /nfs/dbraw/zinc/15/84/36/1313158436.db2.gz IYXDRNBLLBQONL-LJQANCHMSA-N 0 3 342.395 2.628 20 10 EFCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCCC4(C3)OCCO4)c2c1 ZINC001234562897 1313158445 /nfs/dbraw/zinc/15/84/45/1313158445.db2.gz XDSJKTRWFOWFTK-UHFFFAOYSA-N 0 3 329.396 2.893 20 10 EFCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCCC4(C3)OCCO4)c2c1 ZINC001234562897 1313158448 /nfs/dbraw/zinc/15/84/48/1313158448.db2.gz XDSJKTRWFOWFTK-UHFFFAOYSA-N 0 3 329.396 2.893 20 10 EFCDHN CCOC(=O)[C@H]1CCC[C@@H]1Oc1ccc(N2CCN(CC)CC2)cc1 ZINC001234658015 1313179306 /nfs/dbraw/zinc/17/93/06/1313179306.db2.gz QWCYYBBDVRZNJV-OALUTQOASA-N 0 3 346.471 2.939 20 10 EFCDHN CCN1CCN(c2ccc(O[C@H](C)CO[C@@H](C)COC)cc2)CC1 ZINC001234661572 1313180074 /nfs/dbraw/zinc/18/00/74/1313180074.db2.gz VDHWBJXUCKQAMX-DLBZAZTESA-N 0 3 336.476 2.647 20 10 EFCDHN COc1cc(C)c(C[NH+]2CCC3(CCC(=O)N(C)C3)CC2)c([O-])c1 ZINC001274660107 1296132604 /nfs/dbraw/zinc/13/26/04/1296132604.db2.gz CAYSLHZILVGDOS-UHFFFAOYSA-N 0 3 332.444 2.544 20 10 EFCDHN COC(=O)CO[C@H]1CC[N@H+](Cc2cccc(-c3ccccc3)c2[O-])C1 ZINC001235000933 1313220201 /nfs/dbraw/zinc/22/02/01/1313220201.db2.gz RIRLZKJLJCXLHW-KRWDZBQOSA-N 0 3 341.407 2.823 20 10 EFCDHN COC(=O)CO[C@H]1CC[N@@H+](Cc2cccc(-c3ccccc3)c2[O-])C1 ZINC001235000933 1313220203 /nfs/dbraw/zinc/22/02/03/1313220203.db2.gz RIRLZKJLJCXLHW-KRWDZBQOSA-N 0 3 341.407 2.823 20 10 EFCDHN O=c1cccc(CN2CC3(C2)CC[NH+](Cc2ccccc2[O-])CC3)[nH]1 ZINC001275267435 1296247383 /nfs/dbraw/zinc/24/73/83/1296247383.db2.gz OMAVSKSESCHSCQ-UHFFFAOYSA-N 0 3 339.439 2.591 20 10 EFCDHN Cc1cc([O-])c(CN2CCCCC23C[NH2+]C3)cc1Br ZINC001235105630 1313243035 /nfs/dbraw/zinc/24/30/35/1313243035.db2.gz UOFPVYLFCQRNDG-UHFFFAOYSA-N 0 3 325.250 2.791 20 10 EFCDHN [O-]c1cccc(Br)c1CN1CCCC[C@@]12CC[NH2+]C2 ZINC001235123063 1313247153 /nfs/dbraw/zinc/24/71/53/1313247153.db2.gz YCKSYHDCOFJNIT-HNNXBMFYSA-N 0 3 325.250 2.873 20 10 EFCDHN Cc1cc([O-])c(CN2C[C@@H]3C[NH2+]C[C@]3(C(F)(F)F)C2)cc1Cl ZINC001235231018 1313270241 /nfs/dbraw/zinc/27/02/41/1313270241.db2.gz MLHCKCZJLXJLNX-FZMZJTMJSA-N 0 3 334.769 2.938 20 10 EFCDHN Nc1ccc(CN2CCCn3cnc(CNC4CCC4)c3C2)cc1 ZINC001235558384 1313351486 /nfs/dbraw/zinc/35/14/86/1313351486.db2.gz HWMOILMVHSSYRK-UHFFFAOYSA-N 0 3 325.460 2.513 20 10 EFCDHN [NH3+]C[C@H]1CN(Cc2c([O-])cccc2Br)CCC1(F)F ZINC001205771771 1313353439 /nfs/dbraw/zinc/35/34/39/1313353439.db2.gz VRZICBAOEJWAAR-VIFPVBQESA-N 0 3 335.192 2.571 20 10 EFCDHN CCN(Cc1c([O-])cc(OC)cc1Br)[C@H]1CCC[NH2+]C1 ZINC001236010404 1313431724 /nfs/dbraw/zinc/43/17/24/1313431724.db2.gz RDNLSQPETCUDGR-NSHDSACASA-N 0 3 343.265 2.737 20 10 EFCDHN [O-]c1cccc(Br)c1CN(C1CC1)[C@H]1CCC[NH2+]C1 ZINC001236241576 1313460037 /nfs/dbraw/zinc/46/00/37/1313460037.db2.gz SYKADNAIZQQEBR-LBPRGKRZSA-N 0 3 325.250 2.871 20 10 EFCDHN Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1CCCC[C@@](C)(CN)C1 ZINC001206547029 1313473557 /nfs/dbraw/zinc/47/35/57/1313473557.db2.gz ATZJGHQMVJMAKZ-IBGZPJMESA-N 0 3 330.428 2.758 20 10 EFCDHN Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+]1CCCC[C@@](C)(CN)C1 ZINC001206547029 1313473558 /nfs/dbraw/zinc/47/35/58/1313473558.db2.gz ATZJGHQMVJMAKZ-IBGZPJMESA-N 0 3 330.428 2.758 20 10 EFCDHN COc1cc(CN2CC[C@@H](C)[C@H](O)CC2)c(O)cc1Br ZINC001236746564 1313521161 /nfs/dbraw/zinc/52/11/61/1313521161.db2.gz DSMJSGRFBSGLAD-ZWNOBZJWSA-N 0 3 344.249 2.756 20 10 EFCDHN COc1cc(O)c(CN2CC[C@](O)(C(F)(F)F)[C@@H](C)C2)cc1OC ZINC001236749001 1313521587 /nfs/dbraw/zinc/52/15/87/1313521587.db2.gz DGVHDPOOJKCXGW-ZUZCIYMTSA-N 0 3 349.349 2.545 20 10 EFCDHN COc1cc(O)c(CN2C[C@@H](CF)[C@H](C(F)(F)F)C2)cc1OC ZINC001236751279 1313522552 /nfs/dbraw/zinc/52/25/52/1313522552.db2.gz SDAMPXDZJOEMBN-GHMZBOCLSA-N 0 3 337.313 2.989 20 10 EFCDHN CCc1ccc(CN2CCN(Cc3ccccc3)[C@@H](CO)C2)c(O)c1 ZINC001236782694 1313527477 /nfs/dbraw/zinc/52/74/77/1313527477.db2.gz DCVMYHMERSQRMF-HXUWFJFHSA-N 0 3 340.467 2.633 20 10 EFCDHN CO[C@@H]1CN(Cc2cc(OCc3ccccc3)ccc2O)C[C@@H]1OC ZINC001236778536 1313527886 /nfs/dbraw/zinc/52/78/86/1313527886.db2.gz IKQJHZDFMOWCIU-BGYRXZFFSA-N 0 3 343.423 2.817 20 10 EFCDHN CCOC[C@@H]1Cn2nccc2CN(Cc2c(C)cc(OC)cc2O)C1 ZINC001236809187 1313534472 /nfs/dbraw/zinc/53/44/72/1313534472.db2.gz FNHBPNDZVQAWKT-HNNXBMFYSA-N 0 3 345.443 2.574 20 10 EFCDHN COc1cc(C)c(C[N@@H+]2CCC[C@H](C(=O)N3CCCCC3)C2)c([O-])c1 ZINC001236813384 1313534749 /nfs/dbraw/zinc/53/47/49/1313534749.db2.gz JRBCMTUSTXOQHL-INIZCTEOSA-N 0 3 346.471 2.934 20 10 EFCDHN COc1cc(C)c(C[N@H+]2CCC[C@H](C(=O)N3CCCCC3)C2)c([O-])c1 ZINC001236813384 1313534753 /nfs/dbraw/zinc/53/47/53/1313534753.db2.gz JRBCMTUSTXOQHL-INIZCTEOSA-N 0 3 346.471 2.934 20 10 EFCDHN COc1cc(C)c(C[N@@H+]2CC[C@H]3[C@H](CCN3C(=O)C(C)C)C2)c([O-])c1 ZINC001236811694 1313534868 /nfs/dbraw/zinc/53/48/68/1313534868.db2.gz RONFUYKCFSMNNB-QAPCUYQASA-N 0 3 346.471 2.788 20 10 EFCDHN COc1cc(C)c(C[N@H+]2CC[C@H]3[C@H](CCN3C(=O)C(C)C)C2)c([O-])c1 ZINC001236811694 1313534871 /nfs/dbraw/zinc/53/48/71/1313534871.db2.gz RONFUYKCFSMNNB-QAPCUYQASA-N 0 3 346.471 2.788 20 10 EFCDHN CCN1CC[C@@]2(CCC[N@H+](Cc3c(C)cc(OC)cc3[O-])C2)C1=O ZINC001236812314 1313535355 /nfs/dbraw/zinc/53/53/55/1313535355.db2.gz ZAANWQGBXAGAAI-LJQANCHMSA-N 0 3 332.444 2.544 20 10 EFCDHN CCN1CC[C@@]2(CCC[N@@H+](Cc3c(C)cc(OC)cc3[O-])C2)C1=O ZINC001236812314 1313535357 /nfs/dbraw/zinc/53/53/57/1313535357.db2.gz ZAANWQGBXAGAAI-LJQANCHMSA-N 0 3 332.444 2.544 20 10 EFCDHN COc1cc(C)c(C[NH+]2CCC(NC(=O)CC(C)C)CC2)c([O-])c1 ZINC001236812297 1313535408 /nfs/dbraw/zinc/53/54/08/1313535408.db2.gz BRJTWHRNEZZGMS-UHFFFAOYSA-N 0 3 334.460 2.836 20 10 EFCDHN COc1cc(C)c(C[NH+]2CCC(NC(=O)C(C)(C)C)CC2)c([O-])c1 ZINC001236816950 1313535503 /nfs/dbraw/zinc/53/55/03/1313535503.db2.gz ZMCHCDCKKAGYBH-UHFFFAOYSA-N 0 3 334.460 2.836 20 10 EFCDHN CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2c(C)cc(OC)cc2[O-])C1 ZINC001236817670 1313535637 /nfs/dbraw/zinc/53/56/37/1313535637.db2.gz GBEFFBDCRDYNAO-OAHLLOKOSA-N 0 3 334.460 2.790 20 10 EFCDHN CCN(CC)C(=O)[C@@H]1CCC[N@@H+](Cc2c(C)cc(OC)cc2[O-])C1 ZINC001236817670 1313535640 /nfs/dbraw/zinc/53/56/40/1313535640.db2.gz GBEFFBDCRDYNAO-OAHLLOKOSA-N 0 3 334.460 2.790 20 10 EFCDHN CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1Cc1c(C)cc(OC)cc1O ZINC001236820279 1313536662 /nfs/dbraw/zinc/53/66/62/1313536662.db2.gz JRJMLGJDJSHPTK-YEWWUXTCSA-N 0 3 333.428 2.873 20 10 EFCDHN [O-]c1cc2ccccc2cc1C[NH+]1C[C@H]2CN(c3ncccn3)C[C@@H]2C1 ZINC001236832530 1313538696 /nfs/dbraw/zinc/53/86/96/1313538696.db2.gz PDSRQUYLZHQCBM-OALUTQOASA-N 0 3 346.434 2.904 20 10 EFCDHN Cc1ccnc(N2CCN(Cc3cc4ccccc4cc3O)CC2)n1 ZINC001236835066 1313538854 /nfs/dbraw/zinc/53/88/54/1313538854.db2.gz HCKNBBKQAXUVPG-UHFFFAOYSA-N 0 3 334.423 2.966 20 10 EFCDHN Cc1ccnc(N2CC[NH+](Cc3cc4ccccc4cc3[O-])CC2)n1 ZINC001236835066 1313538858 /nfs/dbraw/zinc/53/88/58/1313538858.db2.gz HCKNBBKQAXUVPG-UHFFFAOYSA-N 0 3 334.423 2.966 20 10 EFCDHN Cc1cnc(N2CCN(Cc3cc4ccccc4cc3O)CC2)nc1 ZINC001236836040 1313539032 /nfs/dbraw/zinc/53/90/32/1313539032.db2.gz WLOAYWOKJGLZJZ-UHFFFAOYSA-N 0 3 334.423 2.966 20 10 EFCDHN Cc1cnc(N2CC[NH+](Cc3cc4ccccc4cc3[O-])CC2)nc1 ZINC001236836040 1313539033 /nfs/dbraw/zinc/53/90/33/1313539033.db2.gz WLOAYWOKJGLZJZ-UHFFFAOYSA-N 0 3 334.423 2.966 20 10 EFCDHN Clc1cc(N2CCOCC2)ccc1CN1CCC[C@]12CCOC2 ZINC001236917840 1313552663 /nfs/dbraw/zinc/55/26/63/1313552663.db2.gz BMSRGBFNXHRISK-GOSISDBHSA-N 0 3 336.863 2.932 20 10 EFCDHN C[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2Cl)CC[C@@]1(C)O ZINC001236924044 1313554229 /nfs/dbraw/zinc/55/42/29/1313554229.db2.gz JROAHGGZUDVPQP-RDTXWAMCSA-N 0 3 338.879 2.769 20 10 EFCDHN OCC[C@H]1CCCN(Cc2ccc(N3CCOCC3)cc2Cl)C1 ZINC001236927212 1313554619 /nfs/dbraw/zinc/55/46/19/1313554619.db2.gz NEYWCINVJKDRQF-OAHLLOKOSA-N 0 3 338.879 2.771 20 10 EFCDHN C[C@@H]1CCN(Cc2ccc(N3CCOCC3)cc2Cl)CC[C@H]1O ZINC001236926290 1313554653 /nfs/dbraw/zinc/55/46/53/1313554653.db2.gz FBHCWWARZUAKPI-RDTXWAMCSA-N 0 3 338.879 2.769 20 10 EFCDHN O=C1CCC[C@H]2CN(Cc3ccc(N4CCOCC4)cc3Cl)C[C@@H]12 ZINC001236926848 1313554667 /nfs/dbraw/zinc/55/46/67/1313554667.db2.gz NVNFPFCSWYRJGZ-WMLDXEAASA-N 0 3 348.874 2.978 20 10 EFCDHN CCN1CCN(Cc2ccc(N3CCOCC3)cc2Cl)C[C@H]1C ZINC001236927327 1313554790 /nfs/dbraw/zinc/55/47/90/1313554790.db2.gz SCLCTMCIFKFGPK-OAHLLOKOSA-N 0 3 337.895 2.703 20 10 EFCDHN C[C@H]1CCCN(Cc2ccc(N3CCOCC3)cc2Cl)[C@H]1CO ZINC001236925965 1313554927 /nfs/dbraw/zinc/55/49/27/1313554927.db2.gz ZRDIMMCAWFEHFO-KSSFIOAISA-N 0 3 338.879 2.769 20 10 EFCDHN C[C@@]1(O)CCCN(Cc2ccc(N3CCOCC3)cc2Cl)CC1 ZINC001236930063 1313555332 /nfs/dbraw/zinc/55/53/32/1313555332.db2.gz WCPFFQWZOLCZRR-GOSISDBHSA-N 0 3 338.879 2.914 20 10 EFCDHN CC(C)OC1CCN(Cc2ccc(N3CCN(C)CC3)cc2F)CC1 ZINC001236940088 1313557134 /nfs/dbraw/zinc/55/71/34/1313557134.db2.gz XFUAFMAVNFZNAI-UHFFFAOYSA-N 0 3 349.494 2.967 20 10 EFCDHN CN1CCN(c2ccc(CN3CC[C@@H]4CCCO[C@@H]4C3)c(F)c2)CC1 ZINC001236935213 1313557507 /nfs/dbraw/zinc/55/75/07/1313557507.db2.gz GMOAOLGFVSNSRE-OXJNMPFZSA-N 0 3 347.478 2.578 20 10 EFCDHN CCOc1ccc(C[N@@H+]2CCC[C@]3(CCC(=O)N3)[C@H]2CC)c([O-])c1 ZINC001237040082 1313573309 /nfs/dbraw/zinc/57/33/09/1313573309.db2.gz DAYSEOJOUFPJFB-MJGOQNOKSA-N 0 3 332.444 2.814 20 10 EFCDHN CCOc1ccc(C[N@H+]2CCC[C@]3(CCC(=O)N3)[C@H]2CC)c([O-])c1 ZINC001237040082 1313573311 /nfs/dbraw/zinc/57/33/11/1313573311.db2.gz DAYSEOJOUFPJFB-MJGOQNOKSA-N 0 3 332.444 2.814 20 10 EFCDHN CCOc1ccc(C[NH+]2CCC3(CCC(=O)N3CC)CC2)c([O-])c1 ZINC001237042443 1313573965 /nfs/dbraw/zinc/57/39/65/1313573965.db2.gz IJCRBTMZLQXLBB-UHFFFAOYSA-N 0 3 332.444 2.768 20 10 EFCDHN CCOc1ccc(CN2CC[C@](O)(C(F)(F)F)[C@@H](C)C2)c(O)c1 ZINC001237048950 1313576242 /nfs/dbraw/zinc/57/62/42/1313576242.db2.gz BPYLANKZZXFYBF-XHDPSFHLSA-N 0 3 333.350 2.926 20 10 EFCDHN CCOc1ccc(C[N@@H+]2CC[C@](O)(C(F)(F)F)[C@@H](C)C2)c([O-])c1 ZINC001237048950 1313576245 /nfs/dbraw/zinc/57/62/45/1313576245.db2.gz BPYLANKZZXFYBF-XHDPSFHLSA-N 0 3 333.350 2.926 20 10 EFCDHN CCOc1ccc(C[N@H+]2CC[C@](O)(C(F)(F)F)[C@@H](C)C2)c([O-])c1 ZINC001237048950 1313576249 /nfs/dbraw/zinc/57/62/49/1313576249.db2.gz BPYLANKZZXFYBF-XHDPSFHLSA-N 0 3 333.350 2.926 20 10 EFCDHN CCOc1ccc(C[N@@H+]2CC[C@@H](Oc3ncccc3OC)C2)c([O-])c1 ZINC001237046337 1313574924 /nfs/dbraw/zinc/57/49/24/1313574924.db2.gz ATJHPPYIDQKPHV-MRXNPFEDSA-N 0 3 344.411 2.848 20 10 EFCDHN CCOc1ccc(C[N@H+]2CC[C@@H](Oc3ncccc3OC)C2)c([O-])c1 ZINC001237046337 1313574928 /nfs/dbraw/zinc/57/49/28/1313574928.db2.gz ATJHPPYIDQKPHV-MRXNPFEDSA-N 0 3 344.411 2.848 20 10 EFCDHN CCOc1ccc(C[N@@H+]2CC[C@@H](Oc3cc(OC)ccn3)C2)c([O-])c1 ZINC001237048676 1313576066 /nfs/dbraw/zinc/57/60/66/1313576066.db2.gz VLFOTHKSPPWCOG-QGZVFWFLSA-N 0 3 344.411 2.848 20 10 EFCDHN CCOc1ccc(C[N@H+]2CC[C@@H](Oc3cc(OC)ccn3)C2)c([O-])c1 ZINC001237048676 1313576068 /nfs/dbraw/zinc/57/60/68/1313576068.db2.gz VLFOTHKSPPWCOG-QGZVFWFLSA-N 0 3 344.411 2.848 20 10 EFCDHN CCOc1ccc(C[NH+]2CCC(Oc3ncncc3C)CC2)c([O-])c1 ZINC001237048863 1313576382 /nfs/dbraw/zinc/57/63/82/1313576382.db2.gz YJDZAXWOSIHXKR-UHFFFAOYSA-N 0 3 343.427 2.933 20 10 EFCDHN CCOc1ccc(CN2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)c(O)c1 ZINC001237049751 1313576411 /nfs/dbraw/zinc/57/64/11/1313576411.db2.gz IVIGKQVZEBAMMH-LIRRHRJNSA-N 0 3 348.443 2.890 20 10 EFCDHN COCC[N@H+](Cc1ccc(C(C)C)cc1[O-])C1CCN(C(C)=O)CC1 ZINC001237050297 1313576418 /nfs/dbraw/zinc/57/64/18/1313576418.db2.gz AFSWMMPFRUOICH-UHFFFAOYSA-N 0 3 348.487 2.975 20 10 EFCDHN COCC[N@@H+](Cc1ccc(C(C)C)cc1[O-])C1CCN(C(C)=O)CC1 ZINC001237050297 1313576421 /nfs/dbraw/zinc/57/64/21/1313576421.db2.gz AFSWMMPFRUOICH-UHFFFAOYSA-N 0 3 348.487 2.975 20 10 EFCDHN C[C@H]1C[N@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])CC[C@@]1(C)O ZINC001237053516 1313576649 /nfs/dbraw/zinc/57/66/49/1313576649.db2.gz NNWRSCOJZFELBI-XHDPSFHLSA-N 0 3 333.350 2.926 20 10 EFCDHN C[C@H]1C[N@@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])CC[C@@]1(C)O ZINC001237053516 1313576651 /nfs/dbraw/zinc/57/66/51/1313576651.db2.gz NNWRSCOJZFELBI-XHDPSFHLSA-N 0 3 333.350 2.926 20 10 EFCDHN COC(=O)[C@H]1CCC[N@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])C1 ZINC001237051786 1313576986 /nfs/dbraw/zinc/57/69/86/1313576986.db2.gz QOWKRDHKDGDOIK-LBPRGKRZSA-N 0 3 347.333 2.718 20 10 EFCDHN COC(=O)[C@H]1CCC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])C1 ZINC001237051786 1313576990 /nfs/dbraw/zinc/57/69/90/1313576990.db2.gz QOWKRDHKDGDOIK-LBPRGKRZSA-N 0 3 347.333 2.718 20 10 EFCDHN CC(=O)N1CCO[C@@H]2CC[N@@H+](Cc3ccc(C(C)C)cc3[O-])CC[C@@H]21 ZINC001237051039 1313577343 /nfs/dbraw/zinc/57/73/43/1313577343.db2.gz IJLODCJNAMUOSF-AZUAARDMSA-N 0 3 346.471 2.727 20 10 EFCDHN CC(=O)N1CCO[C@@H]2CC[N@H+](Cc3ccc(C(C)C)cc3[O-])CC[C@@H]21 ZINC001237051039 1313577345 /nfs/dbraw/zinc/57/73/45/1313577345.db2.gz IJLODCJNAMUOSF-AZUAARDMSA-N 0 3 346.471 2.727 20 10 EFCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[NH+]1CCC2(CC1)OCCO2 ZINC001237052893 1313577418 /nfs/dbraw/zinc/57/74/18/1313577418.db2.gz DPJDSIBFZNSROV-UHFFFAOYSA-N 0 3 347.333 2.672 20 10 EFCDHN Cc1nc(CC[N@@H+](C)Cc2ccc(OCC(F)(F)F)cc2[O-])no1 ZINC001237053501 1313577426 /nfs/dbraw/zinc/57/74/26/1313577426.db2.gz NHWUTVSJWCQCKE-UHFFFAOYSA-N 0 3 345.321 2.699 20 10 EFCDHN Cc1nc(CC[N@H+](C)Cc2ccc(OCC(F)(F)F)cc2[O-])no1 ZINC001237053501 1313577429 /nfs/dbraw/zinc/57/74/29/1313577429.db2.gz NHWUTVSJWCQCKE-UHFFFAOYSA-N 0 3 345.321 2.699 20 10 EFCDHN C[C@@H]1CO[C@@H]2C[N@H+](Cc3ccc(OCC(F)(F)F)cc3[O-])C[C@H]12 ZINC001237060123 1313578790 /nfs/dbraw/zinc/57/87/90/1313578790.db2.gz UKQBAIPULAAHGY-WDBKCZKBSA-N 0 3 331.334 2.800 20 10 EFCDHN C[C@@H]1CO[C@@H]2C[N@@H+](Cc3ccc(OCC(F)(F)F)cc3[O-])C[C@H]12 ZINC001237060123 1313578794 /nfs/dbraw/zinc/57/87/94/1313578794.db2.gz UKQBAIPULAAHGY-WDBKCZKBSA-N 0 3 331.334 2.800 20 10 EFCDHN Cc1cc(CN2CC(F)(F)C[C@H]2C[NH3+])c([O-])cc1Br ZINC001237115410 1313588782 /nfs/dbraw/zinc/58/87/82/1313588782.db2.gz UYFFYZYEAAZFBQ-JTQLQIEISA-N 0 3 335.192 2.631 20 10 EFCDHN OC[C@@]1(F)CCCN(Cc2c(O)cccc2OC(F)(F)F)CC1 ZINC001237116550 1313588862 /nfs/dbraw/zinc/58/88/62/1313588862.db2.gz KARLHACJQJOJSM-CQSZACIVSA-N 0 3 337.313 2.977 20 10 EFCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@H](COc3ccccc3)C1)[C@@H](O)CO2 ZINC000779883834 1299115059 /nfs/dbraw/zinc/11/50/59/1299115059.db2.gz GOAMWZUNGFHLFJ-KUHUBIRLSA-N 0 3 341.407 2.719 20 10 EFCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@@H](COc3ccccc3)C1)[C@@H](O)CO2 ZINC000779883834 1299115063 /nfs/dbraw/zinc/11/50/63/1299115063.db2.gz GOAMWZUNGFHLFJ-KUHUBIRLSA-N 0 3 341.407 2.719 20 10 EFCDHN COCC[N@H+](Cc1cc(C(F)(F)F)ccc1[O-])C1CCN(C)CC1 ZINC001237138849 1313592210 /nfs/dbraw/zinc/59/22/10/1313592210.db2.gz HKXBHUBWEPXRBE-UHFFFAOYSA-N 0 3 346.393 2.954 20 10 EFCDHN COCC[N@@H+](Cc1cc(C(F)(F)F)ccc1[O-])C1CCN(C)CC1 ZINC001237138849 1313592213 /nfs/dbraw/zinc/59/22/13/1313592213.db2.gz HKXBHUBWEPXRBE-UHFFFAOYSA-N 0 3 346.393 2.954 20 10 EFCDHN CN1C(=O)CC[C@@H]2C[N@@H+](Cc3cc(C(F)(F)F)ccc3[O-])CC[C@H]21 ZINC001237142971 1313592615 /nfs/dbraw/zinc/59/26/15/1313592615.db2.gz KEIVNKSXIGLGBB-BXUZGUMPSA-N 0 3 342.361 2.854 20 10 EFCDHN CN1C(=O)CC[C@@H]2C[N@H+](Cc3cc(C(F)(F)F)ccc3[O-])CC[C@H]21 ZINC001237142971 1313592618 /nfs/dbraw/zinc/59/26/18/1313592618.db2.gz KEIVNKSXIGLGBB-BXUZGUMPSA-N 0 3 342.361 2.854 20 10 EFCDHN CN1C(=O)CC[C@H]2C[N@@H+](Cc3cc(C(F)(F)F)ccc3[O-])CC[C@H]21 ZINC001237142986 1313592787 /nfs/dbraw/zinc/59/27/87/1313592787.db2.gz KEIVNKSXIGLGBB-SMDDNHRTSA-N 0 3 342.361 2.854 20 10 EFCDHN CN1C(=O)CC[C@H]2C[N@H+](Cc3cc(C(F)(F)F)ccc3[O-])CC[C@H]21 ZINC001237142986 1313592790 /nfs/dbraw/zinc/59/27/90/1313592790.db2.gz KEIVNKSXIGLGBB-SMDDNHRTSA-N 0 3 342.361 2.854 20 10 EFCDHN C[C@H]1CCCN(Cc2ccc(N3CCS(=O)(=O)CC3)cc2)[C@H]1C ZINC001237208053 1313605788 /nfs/dbraw/zinc/60/57/88/1313605788.db2.gz XWIMQVSMDYQOKL-HOTGVXAUSA-N 0 3 336.501 2.542 20 10 EFCDHN O=S1(=O)CCN(c2ccc(CN3CCC4(CCC4)CC3)cc2)CC1 ZINC001237206919 1313606139 /nfs/dbraw/zinc/60/61/39/1313606139.db2.gz MOGUIUMRCNALJI-UHFFFAOYSA-N 0 3 348.512 2.688 20 10 EFCDHN C[C@@H]1C[C@@H](C)CCN1Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC001237211325 1313607286 /nfs/dbraw/zinc/60/72/86/1313607286.db2.gz DZHTZBKKRKJANW-JKSUJKDBSA-N 0 3 336.501 2.542 20 10 EFCDHN CCN(CC)c1ccc(CNC[C@](C)(O)C(=O)OC(C)(C)C)cc1 ZINC000776520466 1299346825 /nfs/dbraw/zinc/34/68/25/1299346825.db2.gz LWPVWPOTOGUEJM-IBGZPJMESA-N 0 3 336.476 2.715 20 10 EFCDHN OCCCCN1CCN(c2ccc(OCc3cccnc3)cc2)CC1 ZINC001237258381 1313613338 /nfs/dbraw/zinc/61/33/38/1313613338.db2.gz LLOFPIVSBSWSCD-UHFFFAOYSA-N 0 3 341.455 2.555 20 10 EFCDHN O=C(CN(Cc1ccccc1O)C1CCCC1)Nc1cnccn1 ZINC000851771778 1299384157 /nfs/dbraw/zinc/38/41/57/1299384157.db2.gz OSOHBYNPLOPFOS-UHFFFAOYSA-N 0 3 326.400 2.566 20 10 EFCDHN Cc1cccc(O)c1CN1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC001237480811 1313654491 /nfs/dbraw/zinc/65/44/91/1313654491.db2.gz AMHXTEDVWWGJRV-UHFFFAOYSA-N 0 3 340.423 2.747 20 10 EFCDHN COC(=O)Cc1cccc(CN2CCCc3cc(O)c(O)cc3C2)c1 ZINC001237488713 1313654689 /nfs/dbraw/zinc/65/46/89/1313654689.db2.gz UGBOPSVNMKAXSN-UHFFFAOYSA-N 0 3 341.407 2.762 20 10 EFCDHN Cc1cccc([O-])c1C[N@@H+]1C[C@@H]2C[C@H](C(=O)NC3CCC3)C[C@@H]2C1 ZINC001237489146 1313655105 /nfs/dbraw/zinc/65/51/05/1313655105.db2.gz VZIQXHZWTWGBSW-PHZGNYQRSA-N 0 3 328.456 2.827 20 10 EFCDHN Cc1cccc([O-])c1C[N@H+]1C[C@@H]2C[C@H](C(=O)NC3CCC3)C[C@@H]2C1 ZINC001237489146 1313655108 /nfs/dbraw/zinc/65/51/08/1313655108.db2.gz VZIQXHZWTWGBSW-PHZGNYQRSA-N 0 3 328.456 2.827 20 10 EFCDHN Cc1cccc(O)c1CN1CCN(CCOc2ccccc2)CC1 ZINC001237489351 1313655430 /nfs/dbraw/zinc/65/54/30/1313655430.db2.gz FXQOBPYFEXWDMC-UHFFFAOYSA-N 0 3 326.440 2.897 20 10 EFCDHN CCOc1ccc(N2CCN(Cc3cc(C)cc(C)c3O)CC2)nn1 ZINC000853612442 1300192999 /nfs/dbraw/zinc/19/29/99/1300192999.db2.gz AVAZVBIOZUPAJF-UHFFFAOYSA-N 0 3 342.443 2.520 20 10 EFCDHN COc1cc(CN2CCCC[C@](O)(C(F)(F)F)C2)c(O)c(OC)c1 ZINC001237668382 1313687996 /nfs/dbraw/zinc/68/79/96/1313687996.db2.gz DFJUJFXVZLVBAD-OAHLLOKOSA-N 0 3 349.349 2.689 20 10 EFCDHN CN1CCO[C@H]2C[N@H+](Cc3cc(-c4ccc(F)cc4)ccc3[O-])C[C@H]21 ZINC001237645310 1313683451 /nfs/dbraw/zinc/68/34/51/1313683451.db2.gz KBUUWFCZKVOOQA-QUCCMNQESA-N 0 3 342.414 2.713 20 10 EFCDHN CN1CCO[C@H]2C[N@@H+](Cc3cc(-c4ccc(F)cc4)ccc3[O-])C[C@H]21 ZINC001237645310 1313683453 /nfs/dbraw/zinc/68/34/53/1313683453.db2.gz KBUUWFCZKVOOQA-QUCCMNQESA-N 0 3 342.414 2.713 20 10 EFCDHN Cc1cc([O-])c(C[N@@H+]2CC[C@H]3COC[C@@H]3C2)cc1Br ZINC001237680966 1313690576 /nfs/dbraw/zinc/69/05/76/1313690576.db2.gz GCAULFSNARPQAM-AAEUAGOBSA-N 0 3 326.234 2.931 20 10 EFCDHN Cc1cc([O-])c(C[N@H+]2CC[C@H]3COC[C@@H]3C2)cc1Br ZINC001237680966 1313690579 /nfs/dbraw/zinc/69/05/79/1313690579.db2.gz GCAULFSNARPQAM-AAEUAGOBSA-N 0 3 326.234 2.931 20 10 EFCDHN Cc1cc([O-])c(CN2CCC([NH+](C)C)CC2)cc1Br ZINC001237676539 1313688731 /nfs/dbraw/zinc/68/87/31/1313688731.db2.gz KMLCWBXBQJTWDJ-UHFFFAOYSA-N 0 3 327.266 2.989 20 10 EFCDHN COc1cc(CN2C[C@@H](CF)[C@H](C(F)(F)F)C2)c(O)c(OC)c1 ZINC001237674398 1313688940 /nfs/dbraw/zinc/68/89/40/1313688940.db2.gz GBQNLBZJDJHAAL-ZYHUDNBSSA-N 0 3 337.313 2.989 20 10 EFCDHN COc1cc(CN2CCC[C@@H](Oc3cccnc3)C2)c(O)c(OC)c1 ZINC001237677088 1313689158 /nfs/dbraw/zinc/68/91/58/1313689158.db2.gz WUUFRPYWKNYYIA-MRXNPFEDSA-N 0 3 344.411 2.848 20 10 EFCDHN CCOC(=O)C1(C)CCN(Cc2cc(OC)cc(OC)c2O)CC1 ZINC001237676974 1313689304 /nfs/dbraw/zinc/68/93/04/1313689304.db2.gz VKFRALPGUDAJLA-UHFFFAOYSA-N 0 3 337.416 2.575 20 10 EFCDHN COC(=O)CC[N@H+](CCCN(C)C)Cc1cc(F)cc(Cl)c1[O-] ZINC001237812487 1313711520 /nfs/dbraw/zinc/71/15/20/1313711520.db2.gz HJEAPVAVZUQQKU-UHFFFAOYSA-N 0 3 346.830 2.502 20 10 EFCDHN COC(=O)CC[N@@H+](CCCN(C)C)Cc1cc(F)cc(Cl)c1[O-] ZINC001237812487 1313711523 /nfs/dbraw/zinc/71/15/23/1313711523.db2.gz HJEAPVAVZUQQKU-UHFFFAOYSA-N 0 3 346.830 2.502 20 10 EFCDHN CCN(Cc1cccc(N2CCOCC2)n1)Cc1ccccc1O ZINC001237852520 1313721193 /nfs/dbraw/zinc/72/11/93/1313721193.db2.gz WXDBGLYZGUSGME-UHFFFAOYSA-N 0 3 327.428 2.646 20 10 EFCDHN CC[N@H+](Cc1cccc(N2CCOCC2)n1)Cc1ccccc1[O-] ZINC001237852520 1313721196 /nfs/dbraw/zinc/72/11/96/1313721196.db2.gz WXDBGLYZGUSGME-UHFFFAOYSA-N 0 3 327.428 2.646 20 10 EFCDHN CC[N@@H+](Cc1cccc(N2CCOCC2)n1)Cc1ccccc1[O-] ZINC001237852520 1313721198 /nfs/dbraw/zinc/72/11/98/1313721198.db2.gz WXDBGLYZGUSGME-UHFFFAOYSA-N 0 3 327.428 2.646 20 10 EFCDHN Cc1cncnc1O[C@@H]1CCN(Cc2cc(F)c(Cl)cc2[O-])C1 ZINC001237939791 1313733429 /nfs/dbraw/zinc/73/34/29/1313733429.db2.gz GARAVLNQOGLOPW-GFCCVEGCSA-N 0 3 337.782 2.936 20 10 EFCDHN Cc1ccnc(O[C@@H]2CC[N@H+](Cc3cc(F)c(Cl)cc3[O-])C2)n1 ZINC001237941619 1313734878 /nfs/dbraw/zinc/73/48/78/1313734878.db2.gz ZIHQKZIHBHTUGX-GFCCVEGCSA-N 0 3 337.782 2.936 20 10 EFCDHN Cc1ccnc(O[C@@H]2CC[N@@H+](Cc3cc(F)c(Cl)cc3[O-])C2)n1 ZINC001237941619 1313734881 /nfs/dbraw/zinc/73/48/81/1313734881.db2.gz ZIHQKZIHBHTUGX-GFCCVEGCSA-N 0 3 337.782 2.936 20 10 EFCDHN Cc1cc(F)cc(C[N@@H+]2CC[C@@]3(C2)C(=O)Nc2ccccc23)c1[O-] ZINC001238061117 1313753727 /nfs/dbraw/zinc/75/37/27/1313753727.db2.gz NBOSPWZNRHKYLG-IBGZPJMESA-N 0 3 326.371 2.936 20 10 EFCDHN Cc1cc(F)cc(C[N@H+]2CC[C@@]3(C2)C(=O)Nc2ccccc23)c1[O-] ZINC001238061117 1313753729 /nfs/dbraw/zinc/75/37/29/1313753729.db2.gz NBOSPWZNRHKYLG-IBGZPJMESA-N 0 3 326.371 2.936 20 10 EFCDHN COc1cccnc1O[C@H]1CCN(Cc2cc(F)cc(C)c2O)C1 ZINC001238066292 1313755134 /nfs/dbraw/zinc/75/51/34/1313755134.db2.gz LVYSCWHWKQWMER-HNNXBMFYSA-N 0 3 332.375 2.897 20 10 EFCDHN CC(C)(C)OC(=O)N1C[C@H]2[C@H](C[N@@H+]3CCc4cccc([O-])c4C3)[C@H]2C1 ZINC001207780976 1313773189 /nfs/dbraw/zinc/77/31/89/1313773189.db2.gz NQWMJWIQTYRQSO-OSYLJGHBSA-N 0 3 344.455 2.863 20 10 EFCDHN CC(C)(C)OC(=O)N1C[C@H]2[C@H](C[N@H+]3CCc4cccc([O-])c4C3)[C@H]2C1 ZINC001207780976 1313773191 /nfs/dbraw/zinc/77/31/91/1313773191.db2.gz NQWMJWIQTYRQSO-OSYLJGHBSA-N 0 3 344.455 2.863 20 10 EFCDHN CCOC(=O)c1[nH]c(C)c(C[NH2+]Cc2ccc(OC)cc2[O-])c1C ZINC000862353397 1302343388 /nfs/dbraw/zinc/34/33/88/1302343388.db2.gz NGBPCRCBSBJUAD-UHFFFAOYSA-N 0 3 332.400 2.812 20 10 EFCDHN Cc1noc(NC(=O)C23CC([NH2+]Cc4cc(F)ccc4[O-])(C2)C3)c1C ZINC001278248968 1313838590 /nfs/dbraw/zinc/83/85/90/1313838590.db2.gz UXYDUWLJKTYGGT-UHFFFAOYSA-N 0 3 345.374 2.787 20 10 EFCDHN O=C([C@H]1CC12CC[NH+](Cc1cc(F)ccc1[O-])CC2)N1CCCCO1 ZINC001278257592 1313846473 /nfs/dbraw/zinc/84/64/73/1313846473.db2.gz ZXUGEPINSZDNPO-MRXNPFEDSA-N 0 3 348.418 2.687 20 10 EFCDHN O=C([C@@H]1CCC[C@]12CC[N@@H+](Cc1cc(F)ccc1[O-])C2)N1CC=CC1 ZINC001278257356 1313846808 /nfs/dbraw/zinc/84/68/08/1313846808.db2.gz UJTFNTDVKOIOAU-FXAWDEMLSA-N 0 3 344.430 2.922 20 10 EFCDHN O=C([C@@H]1CCC[C@]12CC[N@H+](Cc1cc(F)ccc1[O-])C2)N1CC=CC1 ZINC001278257356 1313846810 /nfs/dbraw/zinc/84/68/10/1313846810.db2.gz UJTFNTDVKOIOAU-FXAWDEMLSA-N 0 3 344.430 2.922 20 10 EFCDHN CCC[C@H]1CCCN(Cc2cc(=O)n3ncc(C(=O)OCC)c3[nH]2)C1 ZINC000120952665 1303554069 /nfs/dbraw/zinc/55/40/69/1303554069.db2.gz IVDQQLFWADDQGB-ZDUSSCGKSA-N 0 3 346.431 2.624 20 10 EFCDHN [O-]c1cccc2c1C[N@H+](CCOCCOCc1ccccc1)CC2 ZINC001208750890 1314009050 /nfs/dbraw/zinc/00/90/50/1314009050.db2.gz VAOXEIOIHJGNSY-UHFFFAOYSA-N 0 3 327.424 2.984 20 10 EFCDHN [O-]c1cccc2c1C[N@@H+](CCOCCOCc1ccccc1)CC2 ZINC001208750890 1314009054 /nfs/dbraw/zinc/00/90/54/1314009054.db2.gz VAOXEIOIHJGNSY-UHFFFAOYSA-N 0 3 327.424 2.984 20 10 EFCDHN C[C@H](NCc1ccc(N2CCN(C)CC2)cc1)c1c(F)cncc1F ZINC000796527670 1305982939 /nfs/dbraw/zinc/98/29/39/1305982939.db2.gz WTXMLPGEWKKKCX-AWEZNQCLSA-N 0 3 346.425 2.962 20 10 EFCDHN COC[C@H]1C[NH2+]CCN1Cc1cc(Cl)c(C(C)(C)C)cc1[O-] ZINC001210546319 1314350156 /nfs/dbraw/zinc/35/01/56/1314350156.db2.gz WZJLXXUVMJVFSQ-CYBMUJFWSA-N 0 3 326.868 2.763 20 10 EFCDHN CCCCN(CC(=O)NCc1cccnc1)Cc1ccccc1O ZINC000801595911 1310573256 /nfs/dbraw/zinc/57/32/56/1310573256.db2.gz MPEIOELWTUBTGI-UHFFFAOYSA-N 0 3 327.428 2.706 20 10 EFCDHN Cc1cc([O-])c(CN2CCC[C@@]3(CC[NH2+]3)C2)cc1Br ZINC001222287533 1311110422 /nfs/dbraw/zinc/11/04/22/1311110422.db2.gz LPHUJOWIFADOSM-OAHLLOKOSA-N 0 3 325.250 2.791 20 10 EFCDHN CCOc1ccc(N2CC[C@H]3CN(Cc4cccc(=O)[nH]4)C[C@H]32)cc1 ZINC001276926753 1311312556 /nfs/dbraw/zinc/31/25/56/1311312556.db2.gz WXXHBSWFVHNUQD-HNAYVOBHSA-N 0 3 339.439 2.897 20 10 EFCDHN COc1ccc(N2CC[C@H]3[C@@H]2CCN3Cc2cccc(=O)[nH]2)cc1 ZINC001276927494 1311313339 /nfs/dbraw/zinc/31/33/39/1311313339.db2.gz SISWGACNNVTLQJ-ROUUACIJSA-N 0 3 325.412 2.649 20 10 EFCDHN COc1ccc(N2C[C@H]3CN(C4CCCC4)C[C@@H](C2)O3)c(OC)c1 ZINC001276994142 1311430179 /nfs/dbraw/zinc/43/01/79/1311430179.db2.gz JXUJRSCUZATOTA-CALCHBBNSA-N 0 3 332.444 2.536 20 10 EFCDHN Cc1cc(CN2CC[C@H]3[C@@H]2CC[N@H+]3C)c([O-])cc1Br ZINC001277143851 1311701222 /nfs/dbraw/zinc/70/12/22/1311701222.db2.gz DLQUYZUXJVQLBU-KBPBESRZSA-N 0 3 325.250 2.742 20 10 EFCDHN Cc1cc(CN2CC[C@H]3[C@@H]2CC[N@@H+]3C)c([O-])cc1Br ZINC001277143851 1311701223 /nfs/dbraw/zinc/70/12/23/1311701223.db2.gz DLQUYZUXJVQLBU-KBPBESRZSA-N 0 3 325.250 2.742 20 10 EFCDHN CCOC(=O)[C@H]1CC[N@H+](Cc2c([O-])ccc3ccc(OC)cc32)C1 ZINC000902419872 1311730316 /nfs/dbraw/zinc/73/03/16/1311730316.db2.gz UMTOLAUYXVTSCY-AWEZNQCLSA-N 0 3 329.396 2.939 20 10 EFCDHN CCOC(=O)[C@H]1CC[N@@H+](Cc2c([O-])ccc3ccc(OC)cc32)C1 ZINC000902419872 1311730319 /nfs/dbraw/zinc/73/03/19/1311730319.db2.gz UMTOLAUYXVTSCY-AWEZNQCLSA-N 0 3 329.396 2.939 20 10 EFCDHN C[C@@H](C[N+](C)(C)C)Oc1c(O)c([O-])ccc1C(=O)c1ccccc1 ZINC001227940566 1311876585 /nfs/dbraw/zinc/87/65/85/1311876585.db2.gz MMRLSTWTQVVMGS-ZDUSSCGKSA-O 0 3 330.404 2.802 20 10 EFCDHN C[C@H](C[N+](C)(C)C)Oc1cccc2c1C(=O)c1cccc([O-])c1C2=O ZINC001229191868 1312059504 /nfs/dbraw/zinc/05/95/04/1312059504.db2.gz FNIRUZBJICSBNR-GFCCVEGCSA-O 0 3 340.399 2.641 20 10 EFCDHN O=C(NC1CCC(F)CC1)[C@H]1CC12CN(Cc1ccccc1O)C2 ZINC001277441534 1312176103 /nfs/dbraw/zinc/17/61/03/1312176103.db2.gz NGAWPCHLSSSQPX-UYSNPLJNSA-N 0 3 332.419 2.611 20 10 EFCDHN COc1ccc(O)c(CN2CC[C@H]3C[C@]32C(=O)N2CCCC23CC3)c1 ZINC001277461901 1312306059 /nfs/dbraw/zinc/30/60/59/1312306059.db2.gz CLHIGDWHXCVLGS-MGPUTAFESA-N 0 3 342.439 2.520 20 10 EFCDHN Cc1cc(F)cc(CN2CC[C@H]3[C@@H]2CCN3C(=O)NC(C)C)c1O ZINC001277519745 1312500177 /nfs/dbraw/zinc/50/01/77/1312500177.db2.gz JPKQORNFQOLCQP-HOTGVXAUSA-N 0 3 335.423 2.606 20 10 EFCDHN CN(C)C(=O)NC1CC[NH+](Cc2c([O-])ccc3ccccc32)CC1 ZINC001231589429 1312528563 /nfs/dbraw/zinc/52/85/63/1312528563.db2.gz IMWCJDNATNKDPD-UHFFFAOYSA-N 0 3 327.428 2.781 20 10 EFCDHN CCNC(=O)CO[C@@H]1CCC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC001231590526 1312528910 /nfs/dbraw/zinc/52/89/10/1312528910.db2.gz GHCYXQJDYBMQHL-MRXNPFEDSA-N 0 3 342.439 2.663 20 10 EFCDHN CCNC(=O)CO[C@@H]1CCC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC001231590526 1312528913 /nfs/dbraw/zinc/52/89/13/1312528913.db2.gz GHCYXQJDYBMQHL-MRXNPFEDSA-N 0 3 342.439 2.663 20 10 EFCDHN C[C@@H]1CN(C2CN(Cc3c(O)ccc4ccccc43)C2)C[C@@H](C)O1 ZINC001231589778 1312528977 /nfs/dbraw/zinc/52/89/77/1312528977.db2.gz QIVYYNPOSXGLLF-HUUCEWRRSA-N 0 3 326.440 2.839 20 10 EFCDHN C[C@@H]1CN(C2C[NH+](Cc3c([O-])ccc4ccccc43)C2)C[C@@H](C)O1 ZINC001231589778 1312528978 /nfs/dbraw/zinc/52/89/78/1312528978.db2.gz QIVYYNPOSXGLLF-HUUCEWRRSA-N 0 3 326.440 2.839 20 10 EFCDHN COc1ccc(CN(C)Cc2cc(OC)c(O)cc2O)cc1OC ZINC001231635739 1312536272 /nfs/dbraw/zinc/53/62/72/1312536272.db2.gz JDRPNQLLGWWDLY-UHFFFAOYSA-N 0 3 333.384 2.756 20 10 EFCDHN COc1ccccc1O[C@@H]1CCN(Cc2cc(OC)c(O)cc2O)C1 ZINC001231636646 1312537268 /nfs/dbraw/zinc/53/72/68/1312537268.db2.gz ZDCLFZQMIROPGQ-CQSZACIVSA-N 0 3 345.395 2.768 20 10 EFCDHN COc1cc(CN2CCC(Oc3ccccn3)CC2)c(O)cc1O ZINC001231635752 1312537383 /nfs/dbraw/zinc/53/73/83/1312537383.db2.gz JZOFXYZDKRZEBW-UHFFFAOYSA-N 0 3 330.384 2.545 20 10 EFCDHN COc1cc(CN2CCC[C@@H](Oc3ccncc3)C2)c(O)cc1O ZINC001231640170 1312538090 /nfs/dbraw/zinc/53/80/90/1312538090.db2.gz PRLOWASCXGDOIM-OAHLLOKOSA-N 0 3 330.384 2.545 20 10 EFCDHN Cc1noc(NC(=O)[C@@H]2CC23CN(Cc2ccc(C)cc2O)C3)c1C ZINC001277560219 1312557643 /nfs/dbraw/zinc/55/76/43/1312557643.db2.gz SQBYPHUTOLWXRS-HNNXBMFYSA-N 0 3 341.411 2.766 20 10 EFCDHN Cc1ccc(C[N@@H+]2C[C@H]3C[C@@H](CC(=O)NC(C)(C)C)O[C@H]3C2)c([O-])c1 ZINC001277567360 1312566051 /nfs/dbraw/zinc/56/60/51/1312566051.db2.gz GDJYQGRBQHDQHL-RYRKJORJSA-N 0 3 346.471 2.595 20 10 EFCDHN Cc1ccc(C[N@H+]2C[C@H]3C[C@@H](CC(=O)NC(C)(C)C)O[C@H]3C2)c([O-])c1 ZINC001277567360 1312566054 /nfs/dbraw/zinc/56/60/54/1312566054.db2.gz GDJYQGRBQHDQHL-RYRKJORJSA-N 0 3 346.471 2.595 20 10 EFCDHN Cc1ccc(CN2CC3(C[C@H]3C(=O)NC3CCC(F)CC3)C2)c(O)c1 ZINC001277569052 1312567927 /nfs/dbraw/zinc/56/79/27/1312567927.db2.gz UCWRXIRNFZOOBB-JCYILVPMSA-N 0 3 346.446 2.919 20 10 EFCDHN Cc1cc(C)c(CN2CCN(CCc3ccccn3)CC2)c(O)c1 ZINC001231844051 1312573466 /nfs/dbraw/zinc/57/34/66/1312573466.db2.gz GAARZWRZQXCSAP-UHFFFAOYSA-N 0 3 325.456 2.764 20 10 EFCDHN CCOC[C@@H]1CN(Cc2c(C)cc(C)cc2O)Cc2cnn(C)c21 ZINC001231843980 1312573575 /nfs/dbraw/zinc/57/35/75/1312573575.db2.gz CWGQRZPAOODYIZ-INIZCTEOSA-N 0 3 329.444 2.878 20 10 EFCDHN CCOC[C@H]1CN(Cc2c(C)cc(C)cc2O)Cc2cnn(C)c21 ZINC001231843981 1312573776 /nfs/dbraw/zinc/57/37/76/1312573776.db2.gz CWGQRZPAOODYIZ-MRXNPFEDSA-N 0 3 329.444 2.878 20 10 EFCDHN C[C@@H]1CC[C@@H](CO)CN1Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001232194249 1312646302 /nfs/dbraw/zinc/64/63/02/1312646302.db2.gz GPZHUDBIYIUAOA-GDBMZVCRSA-N 0 3 338.879 2.769 20 10 EFCDHN C[C@H]1CCN(Cc2ccc(N3CCOCC3)c(Cl)c2)CC[C@H]1O ZINC001232195186 1312646669 /nfs/dbraw/zinc/64/66/69/1312646669.db2.gz RIRPGZZGIAADPC-KBXCAEBGSA-N 0 3 338.879 2.769 20 10 EFCDHN Clc1cc(CN2CCN3CCCC[C@@H]3C2)ccc1N1CCOCC1 ZINC001232203249 1312648730 /nfs/dbraw/zinc/64/87/30/1312648730.db2.gz QYOJWWOOURAXLA-QGZVFWFLSA-N 0 3 349.906 2.847 20 10 EFCDHN C[C@H](NCc1ccc(N2CCN(C)CC2)c(F)c1)c1ccccn1 ZINC001318341033 1328559016 /nfs/dbraw/zinc/55/90/16/1328559016.db2.gz YHIVXDXIOYOACY-HNNXBMFYSA-N 0 3 328.435 2.823 20 10 EFCDHN COC(=O)Cc1ccc(C[N@@H+]2C[C@@H](CF)[C@H](C(F)(F)F)C2)c([O-])c1 ZINC001249171399 1315028234 /nfs/dbraw/zinc/02/82/34/1315028234.db2.gz BHUGOHDMCSBWCM-CHWSQXEVSA-N 0 3 349.324 2.688 20 10 EFCDHN COC(=O)Cc1ccc(C[N@H+]2C[C@@H](CF)[C@H](C(F)(F)F)C2)c([O-])c1 ZINC001249171399 1315028238 /nfs/dbraw/zinc/02/82/38/1315028238.db2.gz BHUGOHDMCSBWCM-CHWSQXEVSA-N 0 3 349.324 2.688 20 10 EFCDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@@](CF)(C(F)(F)F)C2)c([O-])c1 ZINC001249171933 1315028632 /nfs/dbraw/zinc/02/86/32/1315028632.db2.gz HMCNUNQLKGVZEQ-HNNXBMFYSA-N 0 3 349.324 2.832 20 10 EFCDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@@](CF)(C(F)(F)F)C2)c([O-])c1 ZINC001249171933 1315028635 /nfs/dbraw/zinc/02/86/35/1315028635.db2.gz HMCNUNQLKGVZEQ-HNNXBMFYSA-N 0 3 349.324 2.832 20 10 EFCDHN COC(=O)Cc1ccc(C[N@H+](C)CCc2ccc(OC)cc2)c([O-])c1 ZINC001249208430 1315032944 /nfs/dbraw/zinc/03/29/44/1315032944.db2.gz UGGAJXZQUOHQIY-UHFFFAOYSA-N 0 3 343.423 2.791 20 10 EFCDHN COC(=O)Cc1ccc(C[N@@H+](C)CCc2ccc(OC)cc2)c([O-])c1 ZINC001249208430 1315032948 /nfs/dbraw/zinc/03/29/48/1315032948.db2.gz UGGAJXZQUOHQIY-UHFFFAOYSA-N 0 3 343.423 2.791 20 10 EFCDHN COC(=O)Cc1ccc(CN2CCc3ccc(F)cc3C2)c(O)c1 ZINC001249207910 1315033045 /nfs/dbraw/zinc/03/30/45/1315033045.db2.gz MBYIYVWNTKPQSD-UHFFFAOYSA-N 0 3 329.371 2.805 20 10 EFCDHN COC(=O)Cc1ccc(C[N@H+](C)Cc2ccc(N(C)C)cc2)c([O-])c1 ZINC001249214656 1315034071 /nfs/dbraw/zinc/03/40/71/1315034071.db2.gz PBMNFHCFBHIXHP-UHFFFAOYSA-N 0 3 342.439 2.806 20 10 EFCDHN COC(=O)Cc1ccc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)c([O-])c1 ZINC001249214656 1315034072 /nfs/dbraw/zinc/03/40/72/1315034072.db2.gz PBMNFHCFBHIXHP-UHFFFAOYSA-N 0 3 342.439 2.806 20 10 EFCDHN COC(=O)Cc1ccc(C[N@H+](C)C[C@@H]2Cc3ccccc3O2)c([O-])c1 ZINC001249223631 1315034503 /nfs/dbraw/zinc/03/45/03/1315034503.db2.gz KIJWCMUOWKCODR-KRWDZBQOSA-N 0 3 341.407 2.543 20 10 EFCDHN COC(=O)Cc1ccc(C[N@@H+](C)C[C@@H]2Cc3ccccc3O2)c([O-])c1 ZINC001249223631 1315034507 /nfs/dbraw/zinc/03/45/07/1315034507.db2.gz KIJWCMUOWKCODR-KRWDZBQOSA-N 0 3 341.407 2.543 20 10 EFCDHN CC1(C)C=Cc2c([O-])c(C[N@@H+]3CCC[C@@]4(CCNC4=O)C3)ccc2O1 ZINC001249230524 1315036135 /nfs/dbraw/zinc/03/61/35/1315036135.db2.gz KBCDNGAMUKOOOC-HXUWFJFHSA-N 0 3 342.439 2.679 20 10 EFCDHN CC1(C)C=Cc2c([O-])c(C[N@H+]3CCC[C@@]4(CCNC4=O)C3)ccc2O1 ZINC001249230524 1315036139 /nfs/dbraw/zinc/03/61/39/1315036139.db2.gz KBCDNGAMUKOOOC-HXUWFJFHSA-N 0 3 342.439 2.679 20 10 EFCDHN CC1(C)C=Cc2c([O-])c(C[N@@H+]3CCC[C@]4(CCNC4=O)C3)ccc2O1 ZINC001249230523 1315036236 /nfs/dbraw/zinc/03/62/36/1315036236.db2.gz KBCDNGAMUKOOOC-FQEVSTJZSA-N 0 3 342.439 2.679 20 10 EFCDHN CC1(C)C=Cc2c([O-])c(C[N@H+]3CCC[C@]4(CCNC4=O)C3)ccc2O1 ZINC001249230523 1315036239 /nfs/dbraw/zinc/03/62/39/1315036239.db2.gz KBCDNGAMUKOOOC-FQEVSTJZSA-N 0 3 342.439 2.679 20 10 EFCDHN Cc1cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)c(C)o1 ZINC000038635162 1315039346 /nfs/dbraw/zinc/03/93/46/1315039346.db2.gz KMNNRGFPFLERJI-SFHVURJKSA-N 0 3 329.444 2.995 20 10 EFCDHN COc1c(F)cc(-c2noc(C[C@@H]([NH3+])c3ccccc3[O-])n2)cc1F ZINC001249338760 1315056157 /nfs/dbraw/zinc/05/61/57/1315056157.db2.gz ATMZINVTMLKIBJ-CYBMUJFWSA-N 0 3 347.321 2.972 20 10 EFCDHN O=C(c1ccccc1)c1ccc([O-])c(O)c1O[C@@H]1C[NH2+]CCC[C@H]1F ZINC001217978595 1315128642 /nfs/dbraw/zinc/12/86/42/1315128642.db2.gz QQPVBUNOJFVYOH-GDBMZVCRSA-N 0 3 345.370 2.798 20 10 EFCDHN CCOC(=O)CCCOc1ccc(C[N@H+](C)CCSC)c([O-])c1 ZINC001249744245 1315129649 /nfs/dbraw/zinc/12/96/49/1315129649.db2.gz YIWRRUBYTMYPIZ-UHFFFAOYSA-N 0 3 341.473 2.909 20 10 EFCDHN CCOC(=O)CCCOc1ccc(C[N@@H+](C)CCSC)c([O-])c1 ZINC001249744245 1315129651 /nfs/dbraw/zinc/12/96/51/1315129651.db2.gz YIWRRUBYTMYPIZ-UHFFFAOYSA-N 0 3 341.473 2.909 20 10 EFCDHN C[C@@H]1CC[NH2+]C[C@H]1Oc1cccc2c1C(=O)c1cccc([O-])c1C2=O ZINC001218043421 1315138456 /nfs/dbraw/zinc/13/84/56/1315138456.db2.gz HVBVLUUFJBBIBR-BDJLRTHQSA-N 0 3 337.375 2.544 20 10 EFCDHN CCN1CCN(Cc2cc(C)c(Br)cc2O)[C@H](C)C1 ZINC001250135606 1315178054 /nfs/dbraw/zinc/17/80/54/1315178054.db2.gz GGRYQZZZIGDQOU-GFCCVEGCSA-N 0 3 327.266 2.989 20 10 EFCDHN Cc1cc(Br)c([O-])c(C[N@H+]2CCCC3(CN(C)C3)C2)c1 ZINC001276775276 1315160438 /nfs/dbraw/zinc/16/04/38/1315160438.db2.gz HCADOBSKVGYVCE-UHFFFAOYSA-N 0 3 339.277 2.991 20 10 EFCDHN Cc1cc(Br)c([O-])c(C[N@@H+]2CCCC3(CN(C)C3)C2)c1 ZINC001276775276 1315160441 /nfs/dbraw/zinc/16/04/41/1315160441.db2.gz HCADOBSKVGYVCE-UHFFFAOYSA-N 0 3 339.277 2.991 20 10 EFCDHN Cc1cc(CN2CC[C@@H](F)[C@@H](O)CC2)c(O)cc1Br ZINC001250120517 1315174450 /nfs/dbraw/zinc/17/44/50/1315174450.db2.gz GYXFYQZFIHXWRW-OLZOCXBDSA-N 0 3 332.213 2.758 20 10 EFCDHN CCOC(=O)[C@@H]1CCN(Cc2cc(C)c(Br)cc2O)C1 ZINC001250128232 1315176516 /nfs/dbraw/zinc/17/65/16/1315176516.db2.gz BFOGUYJNKRAOJC-LLVKDONJSA-N 0 3 342.233 2.848 20 10 EFCDHN CCCN1CCN(Cc2cc(C)c(Br)cc2O)CC1 ZINC001250128974 1315176710 /nfs/dbraw/zinc/17/67/10/1315176710.db2.gz SGPLXRVXSBVXJB-UHFFFAOYSA-N 0 3 327.266 2.991 20 10 EFCDHN CCC(=O)[C@H]1C[C@@H](Oc2cccc3c2C(=O)c2ccccc2C3=O)CN1 ZINC001218323641 1315178768 /nfs/dbraw/zinc/17/87/68/1315178768.db2.gz OBXMTZKPUPEPJH-MLGOLLRUSA-N 0 3 349.386 2.550 20 10 EFCDHN C[C@H]1CC[C@H](Oc2c(O)c([O-])ccc2C(=O)c2ccccc2)C[NH2+]1 ZINC001218399403 1315190055 /nfs/dbraw/zinc/19/00/55/1315190055.db2.gz PZYBLYJNXHUPNJ-JSGCOSHPSA-N 0 3 327.380 2.848 20 10 EFCDHN C[C@@H]1C[NH2+]CC[C@@H]1Oc1cccc2c1C(=O)c1cccc([O-])c1C2=O ZINC001218414421 1315192853 /nfs/dbraw/zinc/19/28/53/1315192853.db2.gz KWJPWIVBKFQROQ-ABAIWWIYSA-N 0 3 337.375 2.544 20 10 EFCDHN COc1cccc([C@@H](O)CN2CCCc3cc(O)c(O)cc3C2)c1 ZINC001250718568 1315250289 /nfs/dbraw/zinc/25/02/89/1315250289.db2.gz VJCICWVZTYCVAU-IBGZPJMESA-N 0 3 329.396 2.588 20 10 EFCDHN CC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)COc1ccc(F)cc1F ZINC001250861550 1315282433 /nfs/dbraw/zinc/28/24/33/1315282433.db2.gz UPKCGQVVNLPFGN-OAHLLOKOSA-N 0 3 337.366 2.932 20 10 EFCDHN CC[N@H+](Cc1ccccc1[O-])C[C@@H](O)COc1ccc(F)cc1F ZINC001250861550 1315282438 /nfs/dbraw/zinc/28/24/38/1315282438.db2.gz UPKCGQVVNLPFGN-OAHLLOKOSA-N 0 3 337.366 2.932 20 10 EFCDHN CC(C)(C)Oc1ccc(C[C@H](N)C(=O)NCc2ccccc2O)cc1 ZINC001219923115 1315356254 /nfs/dbraw/zinc/35/62/54/1315356254.db2.gz CANNIJOOHZMHES-KRWDZBQOSA-N 0 3 342.439 2.756 20 10 EFCDHN CC[C@@H](O)CN1CCN(c2ccc(OCc3cccnc3)cc2)CC1 ZINC001251784342 1315377737 /nfs/dbraw/zinc/37/77/37/1315377737.db2.gz JEFYUWPRPZDYPE-LJQANCHMSA-N 0 3 341.455 2.554 20 10 EFCDHN [NH3+]Cc1cccc(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])c1 ZINC001220212432 1315385452 /nfs/dbraw/zinc/38/54/52/1315385452.db2.gz JTEWMUKSRDFWNM-UHFFFAOYSA-N 0 3 341.798 2.983 20 10 EFCDHN CN1CCO[C@@]2(CCC[N@H+](Cc3cc4ccccc4cc3[O-])C2)C1 ZINC001276813757 1315417034 /nfs/dbraw/zinc/41/70/34/1315417034.db2.gz SQBNRBZSKRWDQR-FQEVSTJZSA-N 0 3 326.440 2.842 20 10 EFCDHN CN1CCO[C@@]2(CCC[N@@H+](Cc3cc4ccccc4cc3[O-])C2)C1 ZINC001276813757 1315417036 /nfs/dbraw/zinc/41/70/36/1315417036.db2.gz SQBNRBZSKRWDQR-FQEVSTJZSA-N 0 3 326.440 2.842 20 10 EFCDHN COCCOCN1C[C@@H]2CC[N@H+](Cc3ccc(C(C)C)cc3[O-])[C@@H]2C1 ZINC001276814074 1315423781 /nfs/dbraw/zinc/42/37/81/1315423781.db2.gz CURFOKJSPUCAMV-PKOBYXMFSA-N 0 3 348.487 2.642 20 10 EFCDHN COCCOCN1C[C@@H]2CC[N@@H+](Cc3ccc(C(C)C)cc3[O-])[C@@H]2C1 ZINC001276814074 1315423785 /nfs/dbraw/zinc/42/37/85/1315423785.db2.gz CURFOKJSPUCAMV-PKOBYXMFSA-N 0 3 348.487 2.642 20 10 EFCDHN COCCOCN1CCC2(CN(Cc3ccc(C(C)C)cc3O)C2)C1 ZINC001276815329 1315441574 /nfs/dbraw/zinc/44/15/74/1315441574.db2.gz RYDBDTVKBLVBHS-UHFFFAOYSA-N 0 3 348.487 2.644 20 10 EFCDHN CC[N@H+](Cc1ccccc1[O-])C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC001252930862 1315534620 /nfs/dbraw/zinc/53/46/20/1315534620.db2.gz DYXFTXJANVRHKB-NRFANRHFSA-N 0 3 340.467 2.851 20 10 EFCDHN CC[N@@H+](Cc1ccccc1[O-])C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC001252930862 1315534622 /nfs/dbraw/zinc/53/46/22/1315534622.db2.gz DYXFTXJANVRHKB-NRFANRHFSA-N 0 3 340.467 2.851 20 10 EFCDHN CCCC[C@@H](CC)COC[C@@H](O)CNCc1ccc(O)c(O)c1 ZINC001253027416 1315557233 /nfs/dbraw/zinc/55/72/33/1315557233.db2.gz WZJGASHXSQDSIS-ZBFHGGJFSA-N 0 3 325.449 2.781 20 10 EFCDHN O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CCCc3cc(O)c(O)cc3C1)C2 ZINC001254605513 1315730160 /nfs/dbraw/zinc/73/01/60/1315730160.db2.gz AXKGNPZQRWRULK-KRWDZBQOSA-N 0 3 340.379 2.922 20 10 EFCDHN [O-]c1ccccc1C[NH2+]C1C[C@@H]2COC[C@H](C1)N2Cc1ccccc1 ZINC001254991848 1315769183 /nfs/dbraw/zinc/76/91/83/1315769183.db2.gz DYEOVABPUQBLPA-IHWFROFDSA-N 0 3 338.451 2.914 20 10 EFCDHN COc1ccc(N2CCN(C[C@H](O)[C@@H](C)c3ccccc3)CC2)cc1 ZINC000827311385 1315977656 /nfs/dbraw/zinc/97/76/56/1315977656.db2.gz ZDSFHKNVJKRWND-UWJYYQICSA-N 0 3 340.467 2.982 20 10 EFCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H]2CC(=O)N(C(C)(C)C)C2)c1[O-] ZINC000827555129 1316000421 /nfs/dbraw/zinc/00/04/21/1316000421.db2.gz OJCULLOMHBSZOD-NSHDSACASA-N 0 3 340.851 2.791 20 10 EFCDHN CN(Cc1cccc(O)c1)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001319512698 1328906777 /nfs/dbraw/zinc/90/67/77/1328906777.db2.gz FWAAIUKFPBMBSI-UHFFFAOYSA-N 0 3 343.446 2.915 20 10 EFCDHN CCN(Cc1ccncc1)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001323780436 1329570177 /nfs/dbraw/zinc/57/01/77/1329570177.db2.gz JFFLLUIHHDSWLC-UHFFFAOYSA-N 0 3 342.462 2.995 20 10 EFCDHN CN(Cc1ccc(N2CCN(C)CC2)c(F)c1)Cc1ccccn1 ZINC001323846560 1329578078 /nfs/dbraw/zinc/57/80/78/1329578078.db2.gz YHPMWWOVAGMAGU-UHFFFAOYSA-N 0 3 328.435 2.605 20 10 EFCDHN COc1cc(Cl)cc(CN(C)Cc2ccc(C(N)=O)cc2)c1O ZINC001324014334 1329591210 /nfs/dbraw/zinc/59/12/10/1329591210.db2.gz JGXKKMYHLQMSFE-UHFFFAOYSA-N 0 3 334.803 2.785 20 10 EFCDHN CN(C)c1ccc(CNC(=O)CN2CC[C@H]3CCCC[C@H]3C2)cc1 ZINC001324133197 1329602392 /nfs/dbraw/zinc/60/23/92/1329602392.db2.gz KWTUAKRBTLANCO-MSOLQXFVSA-N 0 3 329.488 2.881 20 10 EFCDHN CN1CCN(c2ccc(CNc3nccn3C3CC3)cc2F)CC1 ZINC001325290491 1329678585 /nfs/dbraw/zinc/67/85/85/1329678585.db2.gz VQXCNTQNOOILHE-UHFFFAOYSA-N 0 3 329.423 2.721 20 10 EFCDHN CCOC[C@@H]1CCCCN1Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001328219125 1330569417 /nfs/dbraw/zinc/56/94/17/1330569417.db2.gz FBRFEWZHBDYGBR-SFHVURJKSA-N 0 3 349.494 2.969 20 10 EFCDHN CCOc1ccc(N2CCN(CCCc3cncn3C)CC2)cc1 ZINC001329001008 1330655561 /nfs/dbraw/zinc/65/55/61/1330655561.db2.gz STCDHIIIXPWZQM-UHFFFAOYSA-N 0 3 328.460 2.574 20 10 EFCDHN Cc1cc(N)nc(NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)n1 ZINC001333676692 1331192394 /nfs/dbraw/zinc/19/23/94/1331192394.db2.gz ABBJVMCJTRWUJE-BETUJISGSA-N 0 3 345.422 2.732 20 10 EFCDHN COc1ccc(CN[C@H](C)C(=O)Nc2ccccc2)c(O)c1OC ZINC001334174821 1331260752 /nfs/dbraw/zinc/26/07/52/1331260752.db2.gz XLTKEGZRHYBXPZ-GFCCVEGCSA-N 0 3 330.384 2.526 20 10 EFCDHN Cc1csc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)n1 ZINC001336086218 1331433981 /nfs/dbraw/zinc/43/39/81/1331433981.db2.gz YRGRPMSGLXWUNM-OAHLLOKOSA-N 0 3 332.473 2.550 20 10 EFCDHN Cc1ccc([C@@H](CNC(=O)NCc2ccc(N)cc2)N(C)C)cc1 ZINC001336785113 1331502739 /nfs/dbraw/zinc/50/27/39/1331502739.db2.gz VYMNNUBDOVXYGQ-GOSISDBHSA-N 0 3 326.444 2.679 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=O)/C=C/c2nccs2)N(C)C)cc1 ZINC001339018617 1331770889 /nfs/dbraw/zinc/77/08/89/1331770889.db2.gz OGBVCSVCFYUJGB-ZNFPLGDCSA-N 0 3 344.484 2.641 20 10 EFCDHN CC[C@H](C)C[C@H](N)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC001341571222 1332268768 /nfs/dbraw/zinc/26/87/68/1332268768.db2.gz MPXGRLNOLMFICU-YOEHRIQHSA-N 0 3 335.517 2.620 20 10 EFCDHN COc1ccc(N2CCCN(C(=O)[C@@H](N)C3CCCCC3)CC2)cc1 ZINC001346103302 1332599599 /nfs/dbraw/zinc/59/95/99/1332599599.db2.gz IOFLKXRPFRTOMZ-IBGZPJMESA-N 0 3 345.487 2.642 20 10 EFCDHN CCn1cc([C@H](C)NCc2ccc(N3CCN(C)CC3)c(F)c2)cn1 ZINC001347792669 1332773891 /nfs/dbraw/zinc/77/38/91/1332773891.db2.gz BZCKRZCLMLREPX-HNNXBMFYSA-N 0 3 345.466 2.645 20 10 EFCDHN CCC(C)(C)N1CCN(C(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000847279199 1333473263 /nfs/dbraw/zinc/47/32/63/1333473263.db2.gz ZNFXAWDOZJRYEG-UHFFFAOYSA-N 0 3 332.492 2.768 20 10 EFCDHN CC[C@@H](C)CNC(=S)NC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC001200278240 1334037869 /nfs/dbraw/zinc/03/78/69/1334037869.db2.gz RYLBMEGEVZSALG-CQSZACIVSA-N 0 3 335.517 2.867 20 10 EFCDHN COc1ccc(N2CCC(N[C@H]3CCCn4ccnc43)CC2)cc1 ZINC000848525717 1334774678 /nfs/dbraw/zinc/77/46/78/1334774678.db2.gz RABYLILKBRNUCZ-SFHVURJKSA-N 0 3 326.444 2.985 20 10 EFCDHN COc1ccc(N2CC[C@H](CN[C@H]3CCCn4ccnc43)C2)cc1 ZINC000848553101 1334791353 /nfs/dbraw/zinc/79/13/53/1334791353.db2.gz IHNVQSJWYHKMNQ-QAPCUYQASA-N 0 3 326.444 2.843 20 10 EFCDHN c1cc(N2CCCCC2)ccc1CNCc1n[nH]c([C@@H]2CCCO2)n1 ZINC000848561753 1334796040 /nfs/dbraw/zinc/79/60/40/1334796040.db2.gz CXBFWCPMGLMKAP-KRWDZBQOSA-N 0 3 341.459 2.936 20 10 EFCDHN COc1ccc2c(c1)CN(Cc1ccc(N3CCN(C)CC3)cc1)C2 ZINC000848926094 1334991820 /nfs/dbraw/zinc/99/18/20/1334991820.db2.gz QPRVONLXEFNFCP-UHFFFAOYSA-N 0 3 337.467 2.963 20 10 EFCDHN CCN1CCC[C@@H]1CNC(=[NH2+])NCc1cc(Cl)cc(Cl)c1[O-] ZINC000849077857 1335070190 /nfs/dbraw/zinc/07/01/90/1335070190.db2.gz QSLNFZIXVDTIOW-GFCCVEGCSA-N 0 3 345.274 2.797 20 10 EFCDHN CC[C@@H](C)C[C@@H](N)C(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC001357391064 1335306271 /nfs/dbraw/zinc/30/62/71/1335306271.db2.gz DVHFWSOJTBMWMW-RDTXWAMCSA-N 0 3 333.476 2.544 20 10 EFCDHN Cc1cnc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)c(C)c1 ZINC000891243660 714127313 /nfs/dbraw/zinc/12/73/13/714127313.db2.gz RSHAHXJPTWMRCQ-SFHVURJKSA-N 0 3 340.471 2.797 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CCCSC2)N(C)C)cc1 ZINC000891246269 714132180 /nfs/dbraw/zinc/13/21/80/714132180.db2.gz BQMFPIOMUHYGMC-DOTOQJQBSA-N 0 3 335.517 2.615 20 10 EFCDHN CC(C)c1cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)no1 ZINC000891246398 714133655 /nfs/dbraw/zinc/13/36/55/714133655.db2.gz CBIHQGFZBRHDDP-KRWDZBQOSA-N 0 3 344.459 2.897 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)c2conc2C2CC2)N(C)C)cc1 ZINC000891247138 714134758 /nfs/dbraw/zinc/13/47/58/714134758.db2.gz FSCKNCXOMBVLIX-KRWDZBQOSA-N 0 3 342.443 2.651 20 10 EFCDHN COC1(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)CCCCC1 ZINC000891247561 714135706 /nfs/dbraw/zinc/13/57/06/714135706.db2.gz IEQMHMZZRDIRHJ-SFHVURJKSA-N 0 3 347.503 2.821 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=O)c2cc(C3CC3)no2)N(C)C)cc1 ZINC000891249870 714139243 /nfs/dbraw/zinc/13/92/43/714139243.db2.gz UFEJIZQDIXZLOL-QGZVFWFLSA-N 0 3 342.443 2.651 20 10 EFCDHN CCC(C)(C)OCC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891248873 714139729 /nfs/dbraw/zinc/13/97/29/714139729.db2.gz NVRZLUCWQFGEOV-QGZVFWFLSA-N 0 3 335.492 2.677 20 10 EFCDHN CCC1=C(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)CCCO1 ZINC000891248711 714139918 /nfs/dbraw/zinc/13/99/18/714139918.db2.gz NDXCVUHBNAIVKP-GOSISDBHSA-N 0 3 345.487 2.946 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@@]2(C)CC2(F)F)N(C)C)cc1 ZINC000891250608 714140511 /nfs/dbraw/zinc/14/05/11/714140511.db2.gz YFVGXIOVPKKFCF-GDBMZVCRSA-N 0 3 325.403 2.517 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=O)COCC2CCCC2)N(C)C)cc1 ZINC000891250732 714142772 /nfs/dbraw/zinc/14/27/72/714142772.db2.gz ZPANQMMBMCSENH-LJQANCHMSA-N 0 3 347.503 2.678 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=O)CCCn2cccc2)N(C)C)cc1 ZINC000891251023 714144080 /nfs/dbraw/zinc/14/40/80/714144080.db2.gz BVEWQOLPYBZDJC-LJQANCHMSA-N 0 3 342.487 2.753 20 10 EFCDHN Cc1ccc(CC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)o1 ZINC000891251523 714144444 /nfs/dbraw/zinc/14/44/44/714144444.db2.gz FUVILCJJBCOROT-GOSISDBHSA-N 0 3 329.444 2.616 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)[C@@H]2Cc3ccccc32)N(C)C)cc1 ZINC000891253175 714146288 /nfs/dbraw/zinc/14/62/88/714146288.db2.gz RFTCOCQAMPHGJX-UXHICEINSA-N 0 3 337.467 2.811 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)CCC2CCOCC2)N(C)C)cc1 ZINC000891253115 714146604 /nfs/dbraw/zinc/14/66/04/714146604.db2.gz QTZZUHRYQKHOKP-IBGZPJMESA-N 0 3 347.503 2.678 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=O)CCc2cscn2)N(C)C)cc1 ZINC000891255117 714149821 /nfs/dbraw/zinc/14/98/21/714149821.db2.gz MVMPRYVTNNGYIN-QGZVFWFLSA-N 0 3 346.500 2.561 20 10 EFCDHN Cc1cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)c(C)[nH]1 ZINC000891255275 714151385 /nfs/dbraw/zinc/15/13/85/714151385.db2.gz OELQGOQBNCWDEH-SFHVURJKSA-N 0 3 328.460 2.730 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)CCC(C)(F)F)N(C)C)cc1 ZINC000891255432 714151745 /nfs/dbraw/zinc/15/17/45/714151745.db2.gz PEZNAFYWBRJVRV-HNNXBMFYSA-N 0 3 327.419 2.907 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)Cc2cccc(F)c2)N(C)C)cc1 ZINC000891257755 714152350 /nfs/dbraw/zinc/15/23/50/714152350.db2.gz JXWODRJOONMDSZ-IBGZPJMESA-N 0 3 343.446 2.853 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)c2ccc(Cl)nc2)N(C)C)cc1 ZINC000891258669 714156232 /nfs/dbraw/zinc/15/62/32/714156232.db2.gz YYGWXDDNRKSLCE-INIZCTEOSA-N 0 3 346.862 2.834 20 10 EFCDHN CN(Cc1ccc(N2CCOCC2)cc1)Cc1ccc(O)c(F)c1 ZINC000891526476 714800884 /nfs/dbraw/zinc/80/08/84/714800884.db2.gz MOJZMDWOMVSVPG-UHFFFAOYSA-N 0 3 330.403 3.000 20 10 EFCDHN COC(=O)[C@H](C)Oc1ccccc1CN(C)Cc1ccccc1O ZINC000891714255 714970704 /nfs/dbraw/zinc/97/07/04/714970704.db2.gz UEJMMCYNIAJJIP-AWEZNQCLSA-N 0 3 329.396 2.965 20 10 EFCDHN CC(C)N1CC[C@H](C[NH2+]Cc2cccc(Br)c2[O-])C1 ZINC000048797601 715508275 /nfs/dbraw/zinc/50/82/75/715508275.db2.gz LILJJLWRHGZOIN-GFCCVEGCSA-N 0 3 327.266 2.975 20 10 EFCDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CNCc2ccccc21 ZINC000326920322 715535608 /nfs/dbraw/zinc/53/56/08/715535608.db2.gz IHCFLQVJMGBAOY-FQEVSTJZSA-N 0 3 337.467 2.988 20 10 EFCDHN C[C@H]1C[C@H]([NH2+]CCC(C)(C)S(C)(=O)=O)c2c1c(F)ccc2[O-] ZINC000840875329 716795690 /nfs/dbraw/zinc/79/56/90/716795690.db2.gz CUFMGAKZRWJSAD-JQWIXIFHSA-N 0 3 329.437 2.883 20 10 EFCDHN C[C@H]([NH2+]C[C@H]1COCCN1C(=O)OC(C)(C)C)c1ccccc1[O-] ZINC000310080033 717423921 /nfs/dbraw/zinc/42/39/21/717423921.db2.gz UQCLXQKAZBUCEB-KBPBESRZSA-N 0 3 336.432 2.679 20 10 EFCDHN Cc1ccc(O)c(CN2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000179590354 717787635 /nfs/dbraw/zinc/78/76/35/717787635.db2.gz XRWMWTPXPPWHSM-UHFFFAOYSA-N 0 3 327.384 2.931 20 10 EFCDHN COc1ccc(CNCc2ccc(OCC3CC3)nc2)c(O)c1OC ZINC000892811777 719206283 /nfs/dbraw/zinc/20/62/83/719206283.db2.gz SUERABFNTZYMCN-UHFFFAOYSA-N 0 3 344.411 2.883 20 10 EFCDHN CCO[C@@H]1C[C@@](N)(C(=O)N(CC)Cc2ccc(N(C)C)cc2)C1(C)C ZINC000328533717 719324003 /nfs/dbraw/zinc/32/40/03/719324003.db2.gz QUSYIKYCBXAOOI-YLJYHZDGSA-N 0 3 347.503 2.634 20 10 EFCDHN C[C@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)N(C)Cc1ccccc1 ZINC000181065282 720002847 /nfs/dbraw/zinc/00/28/47/720002847.db2.gz YTLYINAKDBJUSZ-SLZMIMFISA-N 0 3 340.423 2.748 20 10 EFCDHN COc1cc(Br)cc(CN2CCN(C)[C@@H](C)[C@H]2C)c1O ZINC000775987829 720732997 /nfs/dbraw/zinc/73/29/97/720732997.db2.gz WKWMKZRNTSUNMA-WDEREUQCSA-N 0 3 343.265 2.688 20 10 EFCDHN COC[C@@H]1CN(Cc2c(O)ccc3ccc(OC)cc32)C[C@H](C)O1 ZINC000249769105 720793631 /nfs/dbraw/zinc/79/36/31/720793631.db2.gz JEMSYWGDCJIQPV-BBRMVZONSA-N 0 3 331.412 2.790 20 10 EFCDHN COC[C@@H]1C[N@H+](Cc2c([O-])ccc3ccc(OC)cc32)C[C@H](C)O1 ZINC000249769105 720793634 /nfs/dbraw/zinc/79/36/34/720793634.db2.gz JEMSYWGDCJIQPV-BBRMVZONSA-N 0 3 331.412 2.790 20 10 EFCDHN COC[C@@H]1C[N@@H+](Cc2c([O-])ccc3ccc(OC)cc32)C[C@H](C)O1 ZINC000249769105 720793635 /nfs/dbraw/zinc/79/36/35/720793635.db2.gz JEMSYWGDCJIQPV-BBRMVZONSA-N 0 3 331.412 2.790 20 10 EFCDHN C[C@H]1CCNC(=O)[C@@H]1[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000195007603 721087194 /nfs/dbraw/zinc/08/71/94/721087194.db2.gz SYRFLMPKGVCGFT-IFXJQAMLSA-N 0 3 340.423 2.585 20 10 EFCDHN COc1ccc(CNCc2ccnc(OC(F)F)c2)c(O)c1OC ZINC000894302867 722016367 /nfs/dbraw/zinc/01/63/67/722016367.db2.gz VUEKAGIIGHKQJU-UHFFFAOYSA-N 0 3 340.326 2.696 20 10 EFCDHN CCS(=O)(=O)c1ccc(CNCc2cc(C)cc(OC)c2O)cc1 ZINC000894376458 722650551 /nfs/dbraw/zinc/65/05/51/722650551.db2.gz ZLVWOCOELNIOGD-UHFFFAOYSA-N 0 3 349.452 2.793 20 10 EFCDHN COc1ccc(CN2CCC[C@@](O)(C(F)(F)F)CC2)c(O)c1OC ZINC000894419863 722731658 /nfs/dbraw/zinc/73/16/58/722731658.db2.gz VPLGZIPVPKYWQE-HNNXBMFYSA-N 0 3 349.349 2.689 20 10 EFCDHN COc1ccc(CN[C@H](c2cccnc2)C(C)(C)CO)c(O)c1OC ZINC000894614020 722796905 /nfs/dbraw/zinc/79/69/05/722796905.db2.gz WJSIXQDESQGAGO-GOSISDBHSA-N 0 3 346.427 2.654 20 10 EFCDHN COc1cc(C)cc(CN[C@H]2CCN(c3ccc(F)cc3)C2=O)c1O ZINC000894997896 723047937 /nfs/dbraw/zinc/04/79/37/723047937.db2.gz AZHCGDGTSKMEEB-INIZCTEOSA-N 0 3 344.386 2.743 20 10 EFCDHN Cc1nnc([C@H]2CC[N@H+](Cc3c([O-])cccc3Br)C2)[nH]1 ZINC000895013078 723050234 /nfs/dbraw/zinc/05/02/34/723050234.db2.gz XPWSCIZKLWCPMQ-JTQLQIEISA-N 0 3 337.221 2.571 20 10 EFCDHN Cc1nnc([C@H]2CC[N@@H+](Cc3c([O-])cccc3Br)C2)[nH]1 ZINC000895013078 723050236 /nfs/dbraw/zinc/05/02/36/723050236.db2.gz XPWSCIZKLWCPMQ-JTQLQIEISA-N 0 3 337.221 2.571 20 10 EFCDHN Cc1ccoc1CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000895017312 723051147 /nfs/dbraw/zinc/05/11/47/723051147.db2.gz CODFEBNGJGRIIO-KRWDZBQOSA-N 0 3 344.459 2.756 20 10 EFCDHN Oc1cc2c(cc1CN1CCC(Nc3ccccn3)CC1)OCO2 ZINC000896198879 723192697 /nfs/dbraw/zinc/19/26/97/723192697.db2.gz WXBGHRPRDHXDRT-UHFFFAOYSA-N 0 3 327.384 2.592 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)NC[C@H]2C=CCC2)N(C)C)cc1 ZINC000896418343 723294114 /nfs/dbraw/zinc/29/41/14/723294114.db2.gz MLJXBNFYNWWKAQ-YJBOKZPZSA-N 0 3 330.476 2.621 20 10 EFCDHN C[S@@](=O)CCC[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000896678842 723436993 /nfs/dbraw/zinc/43/69/93/723436993.db2.gz OVKYZFNIWPAFOM-HSZRJFAPSA-N 0 3 333.453 2.829 20 10 EFCDHN O=[N+]([O-])c1cc(CNCCn2cccn2)ccc1N1CCCCC1 ZINC000918198523 728853510 /nfs/dbraw/zinc/85/35/10/728853510.db2.gz DBFSUYNIOZOAOB-UHFFFAOYSA-N 0 3 329.404 2.571 20 10 EFCDHN CC1(C)CNC(=O)[C@@H]1[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000895324623 724033687 /nfs/dbraw/zinc/03/36/87/724033687.db2.gz QTJVVMRQNDDXCK-SFHVURJKSA-N 0 3 340.423 2.585 20 10 EFCDHN C[C@H](NCc1ccc2c(c1)CCO2)c1cccc(NS(C)(=O)=O)c1 ZINC000067505161 724098324 /nfs/dbraw/zinc/09/83/24/724098324.db2.gz DTHLUJOAOGWYHH-ZDUSSCGKSA-N 0 3 346.452 2.844 20 10 EFCDHN COc1ccc(CN2CC[C@@H](OCc3ccccn3)C2)c(O)c1OC ZINC000895492811 724158947 /nfs/dbraw/zinc/15/89/47/724158947.db2.gz FUNUTWNSJNGSQD-MRXNPFEDSA-N 0 3 344.411 2.596 20 10 EFCDHN NC(=O)N=Nc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)N3CC2CC2)cc1 ZINC001029604207 724211279 /nfs/dbraw/zinc/21/12/79/724211279.db2.gz ZGBHFZUFYOECGH-IYBDPMFKSA-N 0 3 341.415 2.548 20 10 EFCDHN CCO/C=C/[C@@](O)(CNCc1ccc(N(C)C)cc1C)C(F)(F)F ZINC000895715224 724275050 /nfs/dbraw/zinc/27/50/50/724275050.db2.gz AOXCFERZYYVWKZ-ROJDOSBLSA-N 0 3 346.393 2.994 20 10 EFCDHN CCO/C=C\[C@](O)(CNCc1ccc2c(c1)CCCO2)C(F)(F)F ZINC000895718267 724278141 /nfs/dbraw/zinc/27/81/41/724278141.db2.gz LYJVYCXAAFNQJV-GQSKFBFOSA-N 0 3 345.361 2.945 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)NCCC(C)(C)F)N(C)C)cc1 ZINC000895774365 724307746 /nfs/dbraw/zinc/30/77/46/724307746.db2.gz FBEQNTWRONXBDN-INIZCTEOSA-N 0 3 338.471 2.793 20 10 EFCDHN CN(C)c1ccc(CN2C[C@@H]3CC[C@H](O)[C@@H]3C2)c(C(F)(F)F)c1 ZINC000895781217 724319004 /nfs/dbraw/zinc/31/90/04/724319004.db2.gz JSQZOHAYAGKZNQ-PEYYIBSZSA-N 0 3 328.378 2.974 20 10 EFCDHN CCOc1ccc(C[NH2+]CCc2ccccc2C(=O)OC)c([O-])c1 ZINC000897309397 724337541 /nfs/dbraw/zinc/33/75/41/724337541.db2.gz GTOUXVSHYJLABF-UHFFFAOYSA-N 0 3 329.396 2.910 20 10 EFCDHN CCN(CC)c1ccc(CNCc2ccc(CC(N)=O)cc2)cc1F ZINC000731360959 726846726 /nfs/dbraw/zinc/84/67/26/726846726.db2.gz RHCQBZANSHGFLU-UHFFFAOYSA-N 0 3 343.446 2.990 20 10 EFCDHN C[C@@H](NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1cccnc1 ZINC000732917483 727308128 /nfs/dbraw/zinc/30/81/28/727308128.db2.gz VCLODLUIAYSGST-QAPCUYQASA-N 0 3 338.455 2.634 20 10 EFCDHN CC[C@@H](C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F)N(C)C ZINC000912107662 727654715 /nfs/dbraw/zinc/65/47/15/727654715.db2.gz VIXFBBPJTBVHCI-HNNXBMFYSA-N 0 3 345.409 2.984 20 10 EFCDHN C[C@@H]1[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CCCN1CCCF ZINC000994497765 727772091 /nfs/dbraw/zinc/77/20/91/727772091.db2.gz RENZGSUYHWOCRB-DOMZBBRYSA-N 0 3 349.410 2.791 20 10 EFCDHN [NH3+][C@@H]1CCCO[C@H]1C1CCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000841099543 727970164 /nfs/dbraw/zinc/97/01/64/727970164.db2.gz LLTQIJHQWHTFHN-PBHICJAKSA-N 0 3 342.842 2.903 20 10 EFCDHN CC(C)N(Cc1ccc(N(C)C)cc1)C(=S)NC1CCN(C)CC1 ZINC000920310783 729170789 /nfs/dbraw/zinc/17/07/89/729170789.db2.gz FIJSLOJYXLHPSU-UHFFFAOYSA-N 0 3 348.560 2.932 20 10 EFCDHN CCOc1ccc(C[NH2+][C@@](C)(CO)Cc2ccc(OC)cc2)c([O-])c1 ZINC000873191576 1126119527 /nfs/dbraw/zinc/11/95/27/1126119527.db2.gz PSTUEVMFYOUDDX-HXUWFJFHSA-N 0 3 345.439 2.883 20 10 EFCDHN [O-]c1c(F)cc(F)cc1C[NH2+][C@H](Cc1c[nH]nn1)c1ccccc1 ZINC001578050521 1090236197 /nfs/dbraw/zinc/23/61/97/1090236197.db2.gz BHNGOEBBCAYEAI-MRXNPFEDSA-N 0 3 330.338 2.862 20 10 EFCDHN COc1ccc2c(c1)N(C(=O)c1cccc3c1CCNC3)C[C@H](C)O2 ZINC001579244852 1090559624 /nfs/dbraw/zinc/55/96/24/1090559624.db2.gz MTXPXZMHXBSUSD-ZDUSSCGKSA-N 0 3 338.407 2.769 20 10 EFCDHN Cc1ccc(O)c(CNC(=O)Nc2ccc([C@H]3CNCCO3)cc2)c1 ZINC001579723245 1090671947 /nfs/dbraw/zinc/67/19/47/1090671947.db2.gz GJJHSZWRKGWYPL-GOSISDBHSA-N 0 3 341.411 2.683 20 10 EFCDHN O=C(C[C@H]1NCc2ccccc21)NCc1ccc2cccnc2c1O ZINC001580523586 1090932264 /nfs/dbraw/zinc/93/22/64/1090932264.db2.gz XCKPQWLGQSOJBO-QGZVFWFLSA-N 0 3 333.391 2.791 20 10 EFCDHN [O-]c1cccc(Br)c1CN[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC001580888525 1091035465 /nfs/dbraw/zinc/03/54/65/1091035465.db2.gz OGJISLZEWLNOAQ-XJKSGUPXSA-N 0 3 347.256 3.000 20 10 EFCDHN CC[C@H]([NH2+][C@@H]1Cc2ccc(-c3nn[nH]n3)cc2C1)c1ccccc1[O-] ZINC001590464984 1093434764 /nfs/dbraw/zinc/43/47/64/1093434764.db2.gz RXTIBIUPCQFOGM-WBVHZDCISA-N 0 3 335.411 2.780 20 10 EFCDHN COc1cc(C[NH2+][C@H](C)c2cc(C)ccc2O)ccc1-c1nnn[n-]1 ZINC001591533987 1093755301 /nfs/dbraw/zinc/75/53/01/1093755301.db2.gz UVNYFBUFPRNNQC-GFCCVEGCSA-N 0 3 339.399 2.740 20 10 EFCDHN COc1cc(C[NH2+][C@H](C)c2cc(C)ccc2O)ccc1-c1nn[n-]n1 ZINC001591533987 1093755305 /nfs/dbraw/zinc/75/53/05/1093755305.db2.gz UVNYFBUFPRNNQC-GFCCVEGCSA-N 0 3 339.399 2.740 20 10 EFCDHN COc1cc(Br)cc(CN2CCC[C@@H]([C@@H](C)O)C2)c1O ZINC000780893706 1094587920 /nfs/dbraw/zinc/58/79/20/1094587920.db2.gz ZDOSMRNFMYXRIB-GHMZBOCLSA-N 0 3 344.249 2.756 20 10 EFCDHN Cc1c(O)ccc(CN2CCC([C@@](C)(O)C(F)(F)F)CC2)c1O ZINC001140748024 1095044177 /nfs/dbraw/zinc/04/41/77/1095044177.db2.gz ROMBMOHFEGHDBL-OAHLLOKOSA-N 0 3 333.350 2.932 20 10 EFCDHN COc1cccc(C(=O)N2CCC([NH2+]Cc3ccccc3[O-])CC2)c1 ZINC001167847385 1095431482 /nfs/dbraw/zinc/43/14/82/1095431482.db2.gz UIORTPSPXGGLLM-UHFFFAOYSA-N 0 3 340.423 2.795 20 10 EFCDHN CN(C)c1ccc(/C=C\C[NH2+]CCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001604700058 1096934241 /nfs/dbraw/zinc/93/42/41/1096934241.db2.gz BBHBTUBCROGGQC-ARJAWSKDSA-N 0 3 348.454 2.778 20 10 EFCDHN CN(C)c1ccc(/C=C\C[NH2+]CCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001604700058 1096934247 /nfs/dbraw/zinc/93/42/47/1096934247.db2.gz BBHBTUBCROGGQC-ARJAWSKDSA-N 0 3 348.454 2.778 20 10 EFCDHN Cc1cc([O-])c(CN2CC[C@@]23CCC[NH2+]C3)cc1Br ZINC001222203082 1098570154 /nfs/dbraw/zinc/57/01/54/1098570154.db2.gz GNZGDZIQSMGTPE-OAHLLOKOSA-N 0 3 325.250 2.791 20 10 EFCDHN Cc1cc(CN2CCC[C@]3(CC[NH2+]3)C2)c([O-])cc1Br ZINC001222287756 1098729825 /nfs/dbraw/zinc/72/98/25/1098729825.db2.gz QJRFIMIRVVJEKI-HNNXBMFYSA-N 0 3 325.250 2.791 20 10 EFCDHN CC(C)(C)c1cc(O)c(O)c(CN2CCC(N3CCCC3=O)CC2)c1 ZINC000729469064 1099409447 /nfs/dbraw/zinc/40/94/47/1099409447.db2.gz WVVFCBZYCPCXJH-UHFFFAOYSA-N 0 3 346.471 2.982 20 10 EFCDHN [O-]c1cccc(Br)c1CN1CCC([NH+]2CCC2)CC1 ZINC001140102024 1102131644 /nfs/dbraw/zinc/13/16/44/1102131644.db2.gz HYLOTIBQFMAFHF-UHFFFAOYSA-N 0 3 325.250 2.825 20 10 EFCDHN C[NH+](C)C[C@@]12C[C@@H]1CN(Cc1c([O-])cccc1Br)C2 ZINC001140103939 1102135368 /nfs/dbraw/zinc/13/53/68/1102135368.db2.gz VBRCFWZDKDEWHC-IAQYHMDHSA-N 0 3 325.250 2.538 20 10 EFCDHN NC(=O)N=Nc1ccc(C(=O)N2CCCCC[C@@H](NCCF)C2)cc1 ZINC001088431800 1103590546 /nfs/dbraw/zinc/59/05/46/1103590546.db2.gz GBRLQDKVGZQLHU-OAHLLOKOSA-N 0 3 349.410 2.793 20 10 EFCDHN C[C@H]1CN(CC[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CCO1 ZINC000729683021 1104770964 /nfs/dbraw/zinc/77/09/64/1104770964.db2.gz PRDSZUIWGPSBMN-INIZCTEOSA-N 0 3 326.440 2.870 20 10 EFCDHN Cc1cc(Br)c([O-])c(CN2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000904420127 1107933900 /nfs/dbraw/zinc/93/39/00/1107933900.db2.gz CLHKFWCILYSRRV-WCQYABFASA-N 0 3 325.250 2.504 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)Nc2ccc(N)cc2)N(C)C)cc1 ZINC000904499542 1107994552 /nfs/dbraw/zinc/99/45/52/1107994552.db2.gz GFFBQMKABKBIEW-SFHVURJKSA-N 0 3 341.459 2.759 20 10 EFCDHN C[C@@H](NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)C(=O)OC(C)(C)C ZINC000898448783 1108943220 /nfs/dbraw/zinc/94/32/20/1108943220.db2.gz XDHWTHYXVSPHNI-PBHICJAKSA-N 0 3 335.492 2.675 20 10 EFCDHN CN(C)c1ccc([C@H](CNCc2c(Cl)cnn2C)N(C)C)cc1 ZINC000898450882 1108944192 /nfs/dbraw/zinc/94/41/92/1108944192.db2.gz UTSYQIZKMAHFKG-INIZCTEOSA-N 0 3 335.883 2.532 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=O)N2CCC(C)(C)C2)N(C)C)cc1 ZINC000899102246 1109202354 /nfs/dbraw/zinc/20/23/54/1109202354.db2.gz OTYLTJZCZJEIMK-QGZVFWFLSA-N 0 3 332.492 2.797 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=O)NC2(C)CC=CC2)N(C)C)cc1 ZINC000899099168 1109206856 /nfs/dbraw/zinc/20/68/56/1109206856.db2.gz WGNCLTWWSUWAQX-QGZVFWFLSA-N 0 3 330.476 2.763 20 10 EFCDHN C[C@H](C1CC1)N(C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899100841 1109208515 /nfs/dbraw/zinc/20/85/15/1109208515.db2.gz FDABQIXDZQHYSW-RDTXWAMCSA-N 0 3 332.492 2.795 20 10 EFCDHN O=C1N(CCC(F)(F)F)CC[C@@]12CCC[N@H+]2Cc1ccccc1[O-] ZINC001272618446 1111752744 /nfs/dbraw/zinc/75/27/44/1111752744.db2.gz IEFIDIGFPGVUEM-INIZCTEOSA-N 0 3 342.361 2.912 20 10 EFCDHN O=C1N(CCC(F)(F)F)CC[C@@]12CCC[N@@H+]2Cc1ccccc1[O-] ZINC001272618446 1111752750 /nfs/dbraw/zinc/75/27/50/1111752750.db2.gz IEFIDIGFPGVUEM-INIZCTEOSA-N 0 3 342.361 2.912 20 10 EFCDHN O=C(NCC(F)(F)F)[C@H]1CC12CC[NH+](Cc1ccccc1[O-])CC2 ZINC001272618915 1111754511 /nfs/dbraw/zinc/75/45/11/1111754511.db2.gz PVZJHRDGXQFBMQ-CYBMUJFWSA-N 0 3 342.361 2.673 20 10 EFCDHN CCCCN1CC[C@@]2(CCCN2Cc2ccc(OC)cc2O)C1=O ZINC001272624923 1111764007 /nfs/dbraw/zinc/76/40/07/1111764007.db2.gz DGYHRFYAYWKITO-IBGZPJMESA-N 0 3 332.444 2.768 20 10 EFCDHN CCCCN1CC[C@@]2(CCC[N@@H+]2Cc2ccc(OC)cc2[O-])C1=O ZINC001272624923 1111764011 /nfs/dbraw/zinc/76/40/11/1111764011.db2.gz DGYHRFYAYWKITO-IBGZPJMESA-N 0 3 332.444 2.768 20 10 EFCDHN CCCCN1CC[C@@]2(CCC[N@H+]2Cc2ccc(OC)cc2[O-])C1=O ZINC001272624923 1111764016 /nfs/dbraw/zinc/76/40/16/1111764016.db2.gz DGYHRFYAYWKITO-IBGZPJMESA-N 0 3 332.444 2.768 20 10 EFCDHN COc1cccc(CN2CCC[C@]23CCN(CC=C(C)C)C3=O)c1O ZINC001272625091 1111765230 /nfs/dbraw/zinc/76/52/30/1111765230.db2.gz HKYUFLVADYAFDL-HXUWFJFHSA-N 0 3 344.455 2.934 20 10 EFCDHN C[N@@H+](Cc1cc(F)cc(Br)c1[O-])[C@@H]1CCCC[C@@H]1N ZINC001236216694 1112276755 /nfs/dbraw/zinc/27/67/55/1112276755.db2.gz LRDFGJBQTZMHIV-QWHCGFSZSA-N 0 3 331.229 2.996 20 10 EFCDHN C[N@H+](Cc1cc(F)cc(Br)c1[O-])[C@@H]1CCCC[C@@H]1N ZINC001236216694 1112276752 /nfs/dbraw/zinc/27/67/52/1112276752.db2.gz LRDFGJBQTZMHIV-QWHCGFSZSA-N 0 3 331.229 2.996 20 10 EFCDHN C[N@H+](Cc1cc(F)cc(Br)c1[O-])[C@@H]1CCCC[C@H]1N ZINC001236216692 1112277162 /nfs/dbraw/zinc/27/71/62/1112277162.db2.gz LRDFGJBQTZMHIV-CHWSQXEVSA-N 0 3 331.229 2.996 20 10 EFCDHN C[N@@H+](Cc1cc(F)cc(Br)c1[O-])[C@@H]1CCCC[C@H]1N ZINC001236216692 1112277163 /nfs/dbraw/zinc/27/71/63/1112277163.db2.gz LRDFGJBQTZMHIV-CHWSQXEVSA-N 0 3 331.229 2.996 20 10 EFCDHN C[C@@H]([NH2+]Cc1cccc(N2CCCS2(=O)=O)c1)c1ccccc1[O-] ZINC000185298429 1119979212 /nfs/dbraw/zinc/97/92/12/1119979212.db2.gz REEUSMYDJCGIPT-CQSZACIVSA-N 0 3 346.452 2.783 20 10 EFCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000172935504 239176635 /nfs/dbraw/zinc/17/66/35/239176635.db2.gz JLNPPQCQTQDAJL-INIZCTEOSA-N 0 3 326.440 2.700 20 10 EFCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000172935504 239176641 /nfs/dbraw/zinc/17/66/41/239176641.db2.gz JLNPPQCQTQDAJL-INIZCTEOSA-N 0 3 326.440 2.700 20 10 EFCDHN O=C(NCc1c(O)ccc2c1CCCC2)NC1CCN(C2CC2)CC1 ZINC000174792020 239243850 /nfs/dbraw/zinc/24/38/50/239243850.db2.gz TVFGUZCWEQSSHI-UHFFFAOYSA-N 0 3 343.471 2.697 20 10 EFCDHN Cc1cc(O)c(CNCc2ccc(S(=O)(=O)N(C)C)cc2)cc1C ZINC000174274754 239225776 /nfs/dbraw/zinc/22/57/76/239225776.db2.gz FWEGCDWHHFUELT-UHFFFAOYSA-N 0 3 348.468 2.549 20 10 EFCDHN Cc1cc([O-])c(C[NH2+]Cc2ccc(S(=O)(=O)N(C)C)cc2)cc1C ZINC000174274754 239225784 /nfs/dbraw/zinc/22/57/84/239225784.db2.gz FWEGCDWHHFUELT-UHFFFAOYSA-N 0 3 348.468 2.549 20 10 EFCDHN Cc1ccc(CN2CC[C@H](NCc3ccc(N(C)C)cc3)C2=O)cc1 ZINC000191799197 240006394 /nfs/dbraw/zinc/00/63/94/240006394.db2.gz XCTZOYJCKNZGLO-FQEVSTJZSA-N 0 3 337.467 2.952 20 10 EFCDHN O=C(NC1CC[NH+](CCc2ccccc2)CC1)c1cccc(O)c1[O-] ZINC000192985265 240078901 /nfs/dbraw/zinc/07/89/01/240078901.db2.gz AQLUIXQLJKCNTA-UHFFFAOYSA-N 0 3 340.423 2.535 20 10 EFCDHN CC[C@H](NCc1ccc(N(C)C)cc1)c1cccc(S(N)(=O)=O)c1 ZINC000193503694 240110801 /nfs/dbraw/zinc/11/08/01/240110801.db2.gz NKBUCKFWAMDGSY-SFHVURJKSA-N 0 3 347.484 2.641 20 10 EFCDHN CCN(Cc1cc(Br)ccc1[O-])C(=O)CCC[NH2+]C ZINC000236915956 240235708 /nfs/dbraw/zinc/23/57/08/240235708.db2.gz XTZBPJURQYEVLQ-UHFFFAOYSA-N 0 3 329.238 2.503 20 10 EFCDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCC1(N(C)C)CCC1 ZINC000275700115 240757384 /nfs/dbraw/zinc/75/73/84/240757384.db2.gz XIYDJIMOXVKFIG-UHFFFAOYSA-N 0 3 332.492 2.768 20 10 EFCDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@]2(O)CCO[C@@H]2C)c1[O-] ZINC000278910561 240829834 /nfs/dbraw/zinc/82/98/34/240829834.db2.gz VRWLJMQTKNGSNR-RWSFTLGLSA-N 0 3 344.249 2.654 20 10 EFCDHN COc1cccc(C[NH2+]CCCn2cc(Br)cn2)c1[O-] ZINC000288387610 241008932 /nfs/dbraw/zinc/00/89/32/241008932.db2.gz GPRNJMOIIXFNDO-UHFFFAOYSA-N 0 3 340.221 2.540 20 10 EFCDHN COc1ccc(C[C@](C)(O)C[NH2+]Cc2cccc(C)c2[O-])cc1OC ZINC000290761835 241019172 /nfs/dbraw/zinc/01/91/72/241019172.db2.gz BOEILWDEWQHHQB-FQEVSTJZSA-N 0 3 345.439 2.801 20 10 EFCDHN COC[C@]1(C[NH2+]Cc2cc(OC)ccc2[O-])OCCc2ccccc21 ZINC000291656396 241027104 /nfs/dbraw/zinc/02/71/04/241027104.db2.gz VADXINIZVGZDLY-FQEVSTJZSA-N 0 3 343.423 2.605 20 10 EFCDHN [O-]c1cccc2c1[C@H]([NH2+]C1CCN([C@@H]3CCCC[C@@H]3O)CC1)CC2 ZINC000296245733 241079655 /nfs/dbraw/zinc/07/96/55/241079655.db2.gz AYYQGYWWJRBPLI-KURKYZTESA-N 0 3 330.472 2.737 20 10 EFCDHN O=C1C[C@H]([NH2+][C@H]2CCc3cccc([O-])c32)CN1c1ccccc1F ZINC000296636133 241093233 /nfs/dbraw/zinc/09/32/33/241093233.db2.gz BRCZMSYEGRUILJ-ZFWWWQNUSA-N 0 3 326.371 2.914 20 10 EFCDHN C[C@@H]([NH2+][C@@H]1CCCN(CCCO)C1)c1cc2c(cc1[O-])CCCC2 ZINC000297321053 241117674 /nfs/dbraw/zinc/11/76/74/241117674.db2.gz NIHCUEWZVVATJO-CRAIPNDOSA-N 0 3 332.488 2.768 20 10 EFCDHN C[C@H]1CN(c2ccc(C[NH2+][C@H]3CCc4cccc([O-])c43)cn2)CCO1 ZINC000295872368 241063952 /nfs/dbraw/zinc/06/39/52/241063952.db2.gz HEXMUFRCAIYTOG-YOEHRIQHSA-N 0 3 339.439 2.789 20 10 EFCDHN Oc1cccc2c1[C@H](NCc1ccncc1OC[C@@H]1CCOC1)CC2 ZINC000297473576 241122217 /nfs/dbraw/zinc/12/22/17/241122217.db2.gz YSOHPKMGAQHQRM-RHSMWYFYSA-N 0 3 340.423 2.980 20 10 EFCDHN Oc1cccc2c1[C@H](NCc1ccncc1OC[C@H]1CCOC1)CC2 ZINC000297473579 241122941 /nfs/dbraw/zinc/12/29/41/241122941.db2.gz YSOHPKMGAQHQRM-WMLDXEAASA-N 0 3 340.423 2.980 20 10 EFCDHN C[C@H](N[C@@H]1CCCc2c1cnn2CCO)c1ccc(N(C)C)cc1 ZINC000324288010 241206673 /nfs/dbraw/zinc/20/66/73/241206673.db2.gz MPLZNJKHRDVFPQ-KBXCAEBGSA-N 0 3 328.460 2.670 20 10 EFCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCCc3c2cnn3CCO)c([O-])c1C ZINC000363860435 242283212 /nfs/dbraw/zinc/28/32/12/242283212.db2.gz URJSCYDVROZVIR-YOEHRIQHSA-N 0 3 329.444 2.926 20 10 EFCDHN Cc1ccc([C@H](C)N[C@H]2CCCc3c2cnn3CCO)c(O)c1C ZINC000363860435 242283216 /nfs/dbraw/zinc/28/32/16/242283216.db2.gz URJSCYDVROZVIR-YOEHRIQHSA-N 0 3 329.444 2.926 20 10 EFCDHN COC[C@@]1(C[NH2+]Cc2cc(F)ccc2[O-])OCCc2ccccc21 ZINC000365659419 242329979 /nfs/dbraw/zinc/32/99/79/242329979.db2.gz MSKUGIWDTKSSIS-LJQANCHMSA-N 0 3 331.387 2.736 20 10 EFCDHN CN(C)c1ccc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000365818477 242336393 /nfs/dbraw/zinc/33/63/93/242336393.db2.gz FDQAOKYPIDOPPT-UHFFFAOYSA-N 0 3 329.404 2.694 20 10 EFCDHN CCOc1cccc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1O ZINC000365992994 242339896 /nfs/dbraw/zinc/33/98/96/242339896.db2.gz GWPPLUFVRMTTPV-UHFFFAOYSA-N 0 3 346.387 2.733 20 10 EFCDHN CCOc1cccc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1[O-] ZINC000365992994 242339903 /nfs/dbraw/zinc/33/99/03/242339903.db2.gz GWPPLUFVRMTTPV-UHFFFAOYSA-N 0 3 346.387 2.733 20 10 EFCDHN COc1ccc([O-])c(CNC(=[NH2+])N[C@H]2CCOc3ccccc32)c1 ZINC000364262903 242292414 /nfs/dbraw/zinc/29/24/14/242292414.db2.gz NFZUENAMYLGPJQ-HNNXBMFYSA-N 0 3 327.384 2.539 20 10 EFCDHN COc1cc(Cl)cc(C[NH2+][C@H]2COc3ccccc3[C@@H]2O)c1[O-] ZINC000367659754 242387709 /nfs/dbraw/zinc/38/77/09/242387709.db2.gz WUNQIXOBTJYHLS-GUYCJALGSA-N 0 3 335.787 2.638 20 10 EFCDHN COc1cc([N+](=O)[O-])c(N2C[C@H](N3CCCC3)C[C@@H]2C)cc1OC ZINC000286457487 286248747 /nfs/dbraw/zinc/24/87/47/286248747.db2.gz UQVQZILQUJCSSJ-QWHCGFSZSA-N 0 3 335.404 2.675 20 10 EFCDHN Cc1ccc([C@H](C[NH2+]Cc2cc(C)ccc2[O-])N2CCOCC2)o1 ZINC000113316474 544569088 /nfs/dbraw/zinc/56/90/88/544569088.db2.gz QAXHRNBGDMLWBQ-KRWDZBQOSA-N 0 3 330.428 2.765 20 10 EFCDHN COc1ccccc1N1CC[C@@H]([NH2+][C@H](C)c2cc(F)ccc2[O-])C1=O ZINC000186102305 278054242 /nfs/dbraw/zinc/05/42/42/278054242.db2.gz VDUCJHXEGKRMFF-IUODEOHRSA-N 0 3 344.386 2.996 20 10 EFCDHN C[C@H]([NH2+][C@H](Cc1ccccc1)CN1CCOCC1)c1ccccc1[O-] ZINC000183508453 290037701 /nfs/dbraw/zinc/03/77/01/290037701.db2.gz RDQHBKJVJZNTIY-PKOBYXMFSA-N 0 3 340.467 2.986 20 10 EFCDHN COc1cc([N+](=O)[O-])c(N2CCC[C@@H](N3CCCC3)C2)cc1OC ZINC000301937892 295026737 /nfs/dbraw/zinc/02/67/37/295026737.db2.gz SFPIYUJTKJGJFD-CYBMUJFWSA-N 0 3 335.404 2.677 20 10 EFCDHN Cc1cc(Cl)cc(C[NH2+][C@]2(CO)COc3ccccc3C2)c1[O-] ZINC000529642171 316937560 /nfs/dbraw/zinc/93/75/60/316937560.db2.gz GBPIUBUXBAFKGT-GOSISDBHSA-N 0 3 333.815 2.810 20 10 EFCDHN C[C@H]([NH2+]CCCN1CCCN(C)CC1)c1cc(Cl)ccc1[O-] ZINC000185366701 473406503 /nfs/dbraw/zinc/40/65/03/473406503.db2.gz DLYSTKPBXWYHAG-AWEZNQCLSA-N 0 3 325.884 2.724 20 10 EFCDHN C[C@@H]([NH2+]Cc1ccc(N2CCN(C)CC2)nc1)c1cc(F)ccc1[O-] ZINC000184969168 473287667 /nfs/dbraw/zinc/28/76/67/473287667.db2.gz FDGPWYDSMWHFOV-CQSZACIVSA-N 0 3 344.434 2.529 20 10 EFCDHN COc1ccc([O-])c([C@H](C)[NH2+]C2CCN(C(=O)c3ccoc3)CC2)c1 ZINC000184979651 473290127 /nfs/dbraw/zinc/29/01/27/473290127.db2.gz QHSOTNXLHDODGX-ZDUSSCGKSA-N 0 3 344.411 2.949 20 10 EFCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)CN2CCc3ccccc3C2)c([O-])c1 ZINC000184992259 473295213 /nfs/dbraw/zinc/29/52/13/473295213.db2.gz QXITWZQGZHGGRY-VQIMIIECSA-N 0 3 340.467 2.770 20 10 EFCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C[C@]2(N3CCOCC3)CCSC2)c1 ZINC000185140564 473340291 /nfs/dbraw/zinc/34/02/91/473340291.db2.gz HIADCLPWKMNVJM-CRAIPNDOSA-N 0 3 336.501 2.559 20 10 EFCDHN CCN1CCN(c2ccc(CNCc3ccn(C)c3)cc2F)CC1 ZINC000125202292 473373605 /nfs/dbraw/zinc/37/36/05/473373605.db2.gz JKVOAWFQPDHQIJ-UHFFFAOYSA-N 0 3 330.451 2.596 20 10 EFCDHN Cn1cc(C[NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)cn1 ZINC000113359175 473387881 /nfs/dbraw/zinc/38/78/81/473387881.db2.gz GTSUIPCKRGIVNG-INIZCTEOSA-N 0 3 334.851 2.533 20 10 EFCDHN Cc1c2ccccc2n(C)c1CNC(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000349606756 475979257 /nfs/dbraw/zinc/97/92/57/475979257.db2.gz BPIGDOKDWJFFDN-GUYCJALGSA-N 0 3 340.471 2.769 20 10 EFCDHN COc1ccc(N2CCN(CC[C@@H](O)c3ccccc3)CC2)cc1 ZINC000013861714 471845983 /nfs/dbraw/zinc/84/59/83/471845983.db2.gz XJDBPHRIKPQDFL-HXUWFJFHSA-N 0 3 326.440 2.941 20 10 EFCDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000085400856 472243124 /nfs/dbraw/zinc/24/31/24/472243124.db2.gz WESNORQJALDELC-QAPCUYQASA-N 0 3 344.503 2.551 20 10 EFCDHN CCOc1cccc(C[NH2+][C@H](CO)Cc2c[nH]c3ccccc23)c1[O-] ZINC000116350333 472394843 /nfs/dbraw/zinc/39/48/43/472394843.db2.gz UUOWOUJUXCMNJG-INIZCTEOSA-N 0 3 340.423 2.965 20 10 EFCDHN C[C@H](N[C@H]1CCN(CC(F)(F)F)C1=O)c1ccc(N(C)C)cc1 ZINC000089619098 472470357 /nfs/dbraw/zinc/47/03/57/472470357.db2.gz NDBPRYAHRJROPM-FZMZJTMJSA-N 0 3 329.366 2.566 20 10 EFCDHN CCN(Cc1ccccc1)c1ccc(CNC[C@H](O)COC)cc1 ZINC000117946980 472484753 /nfs/dbraw/zinc/48/47/53/472484753.db2.gz HKGYSRHRGLRHJM-FQEVSTJZSA-N 0 3 328.456 2.810 20 10 EFCDHN COc1ccc(CNC(=O)CN[C@H](C)c2ccc(C)c(C)c2O)cc1 ZINC000120027438 472618740 /nfs/dbraw/zinc/61/87/40/472618740.db2.gz AYUUBTGQOWIJTD-OAHLLOKOSA-N 0 3 342.439 2.985 20 10 EFCDHN CC[C@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1)c1ccccc1[O-] ZINC000121088683 472797144 /nfs/dbraw/zinc/79/71/44/472797144.db2.gz PCJBUPKJMFNHNZ-KRWDZBQOSA-N 0 3 348.468 2.883 20 10 EFCDHN CCOc1ccc(O)c(CN(C)Cc2ccc(C(=O)NC)cc2)c1 ZINC000121176237 472811985 /nfs/dbraw/zinc/81/19/85/472811985.db2.gz OUIHREBVGLJQHQ-UHFFFAOYSA-N 0 3 328.412 2.783 20 10 EFCDHN COc1cccc(CNC(=O)NC[C@@H](c2ccccc2)N(C)C)c1O ZINC000073440818 472812155 /nfs/dbraw/zinc/81/21/55/472812155.db2.gz HBRZMRORJKABHK-INIZCTEOSA-N 0 3 343.427 2.503 20 10 EFCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@H]1C[C@@H](O)c1ccco1)OCO2 ZINC000091958892 472832128 /nfs/dbraw/zinc/83/21/28/472832128.db2.gz ZLXYXNFARGBQRO-DZGCQCFKSA-N 0 3 331.368 2.802 20 10 EFCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccco1)OCO2 ZINC000091958892 472832135 /nfs/dbraw/zinc/83/21/35/472832135.db2.gz ZLXYXNFARGBQRO-DZGCQCFKSA-N 0 3 331.368 2.802 20 10 EFCDHN CCOc1ccc([O-])c(C[N@@H+]2CCC[C@H](CNC(=O)C(C)C)C2)c1 ZINC000092706505 472969342 /nfs/dbraw/zinc/96/93/42/472969342.db2.gz QOJKUGQVYBUJNQ-OAHLLOKOSA-N 0 3 334.460 2.775 20 10 EFCDHN CCOc1ccc([O-])c(C[N@H+]2CCC[C@H](CNC(=O)C(C)C)C2)c1 ZINC000092706505 472969347 /nfs/dbraw/zinc/96/93/47/472969347.db2.gz QOJKUGQVYBUJNQ-OAHLLOKOSA-N 0 3 334.460 2.775 20 10 EFCDHN CCOc1ccc([O-])c(C[N@@H+]2CCC[C@@H](CNC(=O)C(C)C)C2)c1 ZINC000092706506 472969757 /nfs/dbraw/zinc/96/97/57/472969757.db2.gz QOJKUGQVYBUJNQ-HNNXBMFYSA-N 0 3 334.460 2.775 20 10 EFCDHN CCOc1ccc([O-])c(C[N@H+]2CCC[C@@H](CNC(=O)C(C)C)C2)c1 ZINC000092706506 472969764 /nfs/dbraw/zinc/96/97/64/472969764.db2.gz QOJKUGQVYBUJNQ-HNNXBMFYSA-N 0 3 334.460 2.775 20 10 EFCDHN Cn1nccc1CN[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000080205699 472995740 /nfs/dbraw/zinc/99/57/40/472995740.db2.gz OKXFQGPFZMUYAF-CYBMUJFWSA-N 0 3 336.386 2.780 20 10 EFCDHN CC1CCN(c2ccc(CNC(=O)NC3CCN(C)CC3)cc2)CC1 ZINC000108540280 473037745 /nfs/dbraw/zinc/03/77/45/473037745.db2.gz GWTNECGVJSNACT-UHFFFAOYSA-N 0 3 344.503 2.816 20 10 EFCDHN C[C@@H](NCc1ccc2c(c1)CCCN2C)c1ccc(-n2cnnn2)cc1 ZINC000122953604 473077771 /nfs/dbraw/zinc/07/77/71/473077771.db2.gz YKAKYFFUOQVJSD-OAHLLOKOSA-N 0 3 348.454 2.896 20 10 EFCDHN C[C@H](NCc1ccc2c(c1)CCCN2C)c1ccc(-n2cnnn2)cc1 ZINC000122953381 473078030 /nfs/dbraw/zinc/07/80/30/473078030.db2.gz YKAKYFFUOQVJSD-HNNXBMFYSA-N 0 3 348.454 2.896 20 10 EFCDHN Cc1cc([O-])c(C[NH+]2CCC([C@@H](O)c3nccn3C)CC2)cc1C ZINC000093454624 473109519 /nfs/dbraw/zinc/10/95/19/473109519.db2.gz BXQRALMVUMJZSM-GOSISDBHSA-N 0 3 329.444 2.688 20 10 EFCDHN C[N@H+](CCC(=O)Nc1ccc2c(c1)OCO2)Cc1ccccc1[O-] ZINC000109772403 473119382 /nfs/dbraw/zinc/11/93/82/473119382.db2.gz RAXQFXIKASXLQW-UHFFFAOYSA-N 0 3 328.368 2.582 20 10 EFCDHN C[N@@H+](CCC(=O)Nc1ccc2c(c1)OCO2)Cc1ccccc1[O-] ZINC000109772403 473119386 /nfs/dbraw/zinc/11/93/86/473119386.db2.gz RAXQFXIKASXLQW-UHFFFAOYSA-N 0 3 328.368 2.582 20 10 EFCDHN CCCN(Cc1ccccc1O)C(=O)NC1CCN(C2CC2)CC1 ZINC000066698509 473140907 /nfs/dbraw/zinc/14/09/07/473140907.db2.gz LSJSGXNKKSODHV-UHFFFAOYSA-N 0 3 331.460 2.941 20 10 EFCDHN C[N@H+](CCCCN1C(=O)c2ccccc2C1=O)Cc1ccccc1[O-] ZINC000111236270 473197899 /nfs/dbraw/zinc/19/78/99/473197899.db2.gz JQNZLBDOAUMNCN-UHFFFAOYSA-N 0 3 338.407 2.900 20 10 EFCDHN C[N@@H+](CCCCN1C(=O)c2ccccc2C1=O)Cc1ccccc1[O-] ZINC000111236270 473197900 /nfs/dbraw/zinc/19/79/00/473197900.db2.gz JQNZLBDOAUMNCN-UHFFFAOYSA-N 0 3 338.407 2.900 20 10 EFCDHN CCN1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])CC1 ZINC000185344922 473400785 /nfs/dbraw/zinc/40/07/85/473400785.db2.gz CZLMUFGOVUOHET-GJZGRUSLSA-N 0 3 339.911 2.970 20 10 EFCDHN C[C@@H]([NH2+]C[C@H](C)N1CCN(C)CC1)c1cc2c(cc1[O-])CCCC2 ZINC000185365615 473407588 /nfs/dbraw/zinc/40/75/88/473407588.db2.gz ZRRYAPXZALVFHK-JKSUJKDBSA-N 0 3 331.504 2.558 20 10 EFCDHN C[C@@H]([NH2+][C@@H](C)CN1CCN(C)CC1)c1ccc2ccccc2c1[O-] ZINC000185392468 473414371 /nfs/dbraw/zinc/41/43/71/473414371.db2.gz MXVLQJVZBSXBOG-JKSUJKDBSA-N 0 3 327.472 2.832 20 10 EFCDHN CCn1cc([C@H](C)NCc2ccc(N3CCC(CO)CC3)cc2)cn1 ZINC000151580610 473474340 /nfs/dbraw/zinc/47/43/40/473474340.db2.gz XUCCXKDKSYZBPU-INIZCTEOSA-N 0 3 342.487 2.963 20 10 EFCDHN C[C@H]([NH2+]Cc1cc2c(cc1[O-])OCO2)[C@H](c1ccccc1)N(C)C ZINC000185680058 473488086 /nfs/dbraw/zinc/48/80/86/473488086.db2.gz LGNVSDPYPFRQHW-ORAYPTAESA-N 0 3 328.412 2.902 20 10 EFCDHN COc1cccc(C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1[O-] ZINC000114770745 473503438 /nfs/dbraw/zinc/50/34/38/473503438.db2.gz CCNYDSZOLCYAKG-CQSZACIVSA-N 0 3 336.432 2.890 20 10 EFCDHN CCOC(=O)N1CC[C@@H](NCc2ccc(N3CCCCC3)cc2)C1 ZINC000185773460 473510959 /nfs/dbraw/zinc/51/09/59/473510959.db2.gz QQQFPLZRRQFELO-QGZVFWFLSA-N 0 3 331.460 2.997 20 10 EFCDHN CCOCCOCC[N@H+](C)Cc1cc(Br)cc(C)c1[O-] ZINC000191570641 473556661 /nfs/dbraw/zinc/55/66/61/473556661.db2.gz YJKIEXWGYKUNOR-UHFFFAOYSA-N 0 3 346.265 2.948 20 10 EFCDHN CCOCCOCC[N@@H+](C)Cc1cc(Br)cc(C)c1[O-] ZINC000191570641 473556665 /nfs/dbraw/zinc/55/66/65/473556665.db2.gz YJKIEXWGYKUNOR-UHFFFAOYSA-N 0 3 346.265 2.948 20 10 EFCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCCN(CC(F)(F)F)C2=O)c1 ZINC000186144187 473599999 /nfs/dbraw/zinc/59/99/99/473599999.db2.gz VVHBUHCVHKACNX-AAEUAGOBSA-N 0 3 330.350 2.905 20 10 EFCDHN Cc1ccc(O)c([C@H](C)N[C@H]2CCCN(CC(F)(F)F)C2=O)c1 ZINC000186144187 473600003 /nfs/dbraw/zinc/60/00/03/473600003.db2.gz VVHBUHCVHKACNX-AAEUAGOBSA-N 0 3 330.350 2.905 20 10 EFCDHN CN(CC1CCN(C)CC1)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000127963797 473668156 /nfs/dbraw/zinc/66/81/56/473668156.db2.gz ULMVWLLXBMXFKD-UHFFFAOYSA-N 0 3 342.487 2.546 20 10 EFCDHN COc1ccc(O)c(CN(C)Cc2ccccc2N2CCOCC2)c1 ZINC000179616435 473698487 /nfs/dbraw/zinc/69/84/87/473698487.db2.gz HCJMPGYOCMUUIR-UHFFFAOYSA-N 0 3 342.439 2.869 20 10 EFCDHN COc1ccc(O)c(CN2CCC(NC(=O)OC(C)(C)C)CC2)c1 ZINC000179703730 473709868 /nfs/dbraw/zinc/70/98/68/473709868.db2.gz AZGGIJKTAHLXAR-UHFFFAOYSA-N 0 3 336.432 2.890 20 10 EFCDHN COc1ccc(O)c(CN2CCC[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000179704440 473710391 /nfs/dbraw/zinc/71/03/91/473710391.db2.gz HVKBSCUUTNOHNX-AWEZNQCLSA-N 0 3 336.432 2.890 20 10 EFCDHN CCN(Cc1cc(Br)ccc1[O-])C(=O)/C=C/C[NH+](C)C ZINC000269201033 473729860 /nfs/dbraw/zinc/72/98/60/473729860.db2.gz YRJVDKYPOMSSKO-AATRIKPKSA-N 0 3 341.249 2.621 20 10 EFCDHN COCC[C@H](CO)[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-] ZINC000281623346 473786045 /nfs/dbraw/zinc/78/60/45/473786045.db2.gz NVXSWXLOZRIXJB-CMPLNLGQSA-N 0 3 332.238 2.511 20 10 EFCDHN C[C@H](NC(=O)NCc1ccccc1O)[C@H](c1ccccc1)N(C)C ZINC000287694996 473736972 /nfs/dbraw/zinc/73/69/72/473736972.db2.gz XHKBKRCUMZUBFH-KBXCAEBGSA-N 0 3 327.428 2.883 20 10 EFCDHN C[C@@H](NC(=O)NCc1ccccc1O)[C@H](c1ccccc1)N(C)C ZINC000287695022 473736999 /nfs/dbraw/zinc/73/69/99/473736999.db2.gz XHKBKRCUMZUBFH-RDTXWAMCSA-N 0 3 327.428 2.883 20 10 EFCDHN O=C(NC1CC[NH+](Cc2cc(F)ccc2[O-])CC1)c1ccccc1 ZINC000179896331 473751386 /nfs/dbraw/zinc/75/13/86/473751386.db2.gz JLBDPBVYAVHSQH-UHFFFAOYSA-N 0 3 328.387 2.926 20 10 EFCDHN O=C(NC1CC[NH+](Cc2cc(F)ccc2[O-])CC1)c1ccsc1 ZINC000179985723 473771478 /nfs/dbraw/zinc/77/14/78/473771478.db2.gz QJPMXWMHKYVZEN-UHFFFAOYSA-N 0 3 334.416 2.987 20 10 EFCDHN C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(Cc2cc(F)ccc2[O-])CC1 ZINC000180011645 473776574 /nfs/dbraw/zinc/77/65/74/473776574.db2.gz YCAHURPXAXCTBL-HZPDHXFCSA-N 0 3 335.467 2.522 20 10 EFCDHN O=C(c1cccc(O)c1[O-])N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000186990612 473797643 /nfs/dbraw/zinc/79/76/43/473797643.db2.gz ISBKDONGCLMEMB-UHFFFAOYSA-N 0 3 332.444 2.826 20 10 EFCDHN O=C(c1cccc(O)c1[O-])N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000186990612 473797651 /nfs/dbraw/zinc/79/76/51/473797651.db2.gz ISBKDONGCLMEMB-UHFFFAOYSA-N 0 3 332.444 2.826 20 10 EFCDHN COC(=O)CC1(C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)CC1 ZINC000281710732 473813079 /nfs/dbraw/zinc/81/30/79/473813079.db2.gz UNRJCTBLVQPAGT-MRXNPFEDSA-N 0 3 333.428 2.717 20 10 EFCDHN COC(=O)CC1(C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)CC1 ZINC000281710732 473813088 /nfs/dbraw/zinc/81/30/88/473813088.db2.gz UNRJCTBLVQPAGT-MRXNPFEDSA-N 0 3 333.428 2.717 20 10 EFCDHN COC(=O)CC1(C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)CC1 ZINC000281710731 473813967 /nfs/dbraw/zinc/81/39/67/473813967.db2.gz UNRJCTBLVQPAGT-INIZCTEOSA-N 0 3 333.428 2.717 20 10 EFCDHN COC(=O)CC1(C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)CC1 ZINC000281710731 473813973 /nfs/dbraw/zinc/81/39/73/473813973.db2.gz UNRJCTBLVQPAGT-INIZCTEOSA-N 0 3 333.428 2.717 20 10 EFCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@]2(O)CCSC2)c1[O-] ZINC000187276107 473850754 /nfs/dbraw/zinc/85/07/54/473850754.db2.gz ZZEFTLVTCBILMN-YGRLFVJLSA-N 0 3 346.290 2.982 20 10 EFCDHN Cc1ccc([C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2)N(C)C)cc1 ZINC000180714257 473949484 /nfs/dbraw/zinc/94/94/84/473949484.db2.gz IEJNURDOGUWFEQ-VDZSZVPASA-N 0 3 340.423 2.839 20 10 EFCDHN COCCn1c(C)c(C)c2cc(C(=O)NCCN(C)C3CC3)ccc21 ZINC000264229420 473957172 /nfs/dbraw/zinc/95/71/72/473957172.db2.gz XOXGZPZWLLZFLM-UHFFFAOYSA-N 0 3 343.471 2.729 20 10 EFCDHN CC(C)CN(C(=O)/C=C/c1ccc(O)c(O)c1)C1CCN(C)CC1 ZINC000180777650 473961585 /nfs/dbraw/zinc/96/15/85/473961585.db2.gz DOQPRMSJJMAXDR-FNORWQNLSA-N 0 3 332.444 2.690 20 10 EFCDHN CCCCCN(CC(N)=O)Cc1cc(Br)ccc1O ZINC000180802760 473969471 /nfs/dbraw/zinc/96/94/71/473969471.db2.gz VRBGOIQWUBVOMI-UHFFFAOYSA-N 0 3 329.238 2.632 20 10 EFCDHN O=C1C[C@@H]([NH2+]Cc2cc(F)ccc2[O-])CN1c1c(F)cccc1F ZINC000180904728 473983943 /nfs/dbraw/zinc/98/39/43/473983943.db2.gz RFDCJACKNIROLN-GFCCVEGCSA-N 0 3 336.313 2.705 20 10 EFCDHN C[C@@H](CC(=O)OC(C)(C)C)NCc1ccc(N2CCOCC2)cc1 ZINC000264532548 474027162 /nfs/dbraw/zinc/02/71/62/474027162.db2.gz JUGUKYDZOIGOBR-HNNXBMFYSA-N 0 3 334.460 2.733 20 10 EFCDHN COc1cc(O)c(CN[C@@H](C[S@@](C)=O)c2ccccc2)cc1OC ZINC000182095547 474098900 /nfs/dbraw/zinc/09/89/00/474098900.db2.gz CMHQEHMYYZOFAT-IZHWHUGBSA-N 0 3 349.452 2.619 20 10 EFCDHN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCCN(C)C1CC1 ZINC000264797218 474129686 /nfs/dbraw/zinc/12/96/86/474129686.db2.gz DOAIXHZJDXLSFH-UHFFFAOYSA-N 0 3 344.503 2.913 20 10 EFCDHN Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1[NH2+]Cc1cc(C)c(C)cc1[O-] ZINC000275364681 474158667 /nfs/dbraw/zinc/15/86/67/474158667.db2.gz WFWWREVVWRINMW-LPHOPBHVSA-N 0 3 329.444 2.979 20 10 EFCDHN CS(=O)(=O)[C@@H]1CCCC[C@H]1NCc1ccc(N2CCCC2)cc1 ZINC000182385951 474163234 /nfs/dbraw/zinc/16/32/34/474163234.db2.gz RAWNJFWURXVTOM-QZTJIDSGSA-N 0 3 336.501 2.732 20 10 EFCDHN COC[C@H](CCO)[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-] ZINC000275378002 474164367 /nfs/dbraw/zinc/16/43/67/474164367.db2.gz WYYVSDKSJJPIOC-JQWIXIFHSA-N 0 3 332.238 2.511 20 10 EFCDHN CN(C)c1ccc(CN(CC2CCS(=O)(=O)CC2)C2CC2)cc1 ZINC000270549774 474165996 /nfs/dbraw/zinc/16/59/96/474165996.db2.gz YRIJJNBMYPLLCE-UHFFFAOYSA-N 0 3 336.501 2.542 20 10 EFCDHN CN(C)C1(CNC(=O)NCc2ccc(N3CCCC3)cc2)CCC1 ZINC000275382959 474166057 /nfs/dbraw/zinc/16/60/57/474166057.db2.gz BFLJYEJKLMMYOL-UHFFFAOYSA-N 0 3 330.476 2.570 20 10 EFCDHN CCOc1cccc(C[NH2+][C@H]2CCO[C@@H]2c2c(C)nn(C)c2C)c1[O-] ZINC000275385288 474167252 /nfs/dbraw/zinc/16/72/52/474167252.db2.gz YZGBDCANTJCMST-KXBFYZLASA-N 0 3 345.443 2.761 20 10 EFCDHN COc1ccc(O)c([C@H](C)NCC(=O)N(C)Cc2ccccc2)c1 ZINC000182404991 474168589 /nfs/dbraw/zinc/16/85/89/474168589.db2.gz JYFONZXEGXXCQJ-AWEZNQCLSA-N 0 3 328.412 2.710 20 10 EFCDHN COc1ccc(O)c([C@H](C)N[C@H]2CCCN(CC(F)(F)F)C2=O)c1 ZINC000182441193 474176341 /nfs/dbraw/zinc/17/63/41/474176341.db2.gz AOITUAFYWUDRQE-GWCFXTLKSA-N 0 3 346.349 2.605 20 10 EFCDHN CC[N@H+](CCOCCO)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000282752236 474180299 /nfs/dbraw/zinc/18/02/99/474180299.db2.gz ODVTUXHDIZQGNL-UHFFFAOYSA-N 0 3 345.439 2.802 20 10 EFCDHN CC[N@@H+](CCOCCO)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000282752236 474180307 /nfs/dbraw/zinc/18/03/07/474180307.db2.gz ODVTUXHDIZQGNL-UHFFFAOYSA-N 0 3 345.439 2.802 20 10 EFCDHN CCCOc1ccc(C[NH2+][C@H]2CCO[C@H](c3cncn3C)C2)c([O-])c1 ZINC000275502813 474212856 /nfs/dbraw/zinc/21/28/56/474212856.db2.gz JUGXRBWTDHYCAM-KXBFYZLASA-N 0 3 345.443 2.924 20 10 EFCDHN CN1C(=O)C[C@H]([NH2+]Cc2ccccc2[O-])[C@H]1c1ccc(F)c(F)c1 ZINC000270693518 474224364 /nfs/dbraw/zinc/22/43/64/474224364.db2.gz WLLPHYZWDUSRAT-MAUKXSAKSA-N 0 3 332.350 2.732 20 10 EFCDHN COc1cc([O-])c(C[NH2+]C[C@](C)(O)c2ccc(F)cc2)cc1OC ZINC000182676979 474232274 /nfs/dbraw/zinc/23/22/74/474232274.db2.gz GORUXAKDBXHCHD-SFHVURJKSA-N 0 3 335.375 2.546 20 10 EFCDHN COc1cc([O-])c(C[NH2+]C[C@H](O)c2cc(C)cc(C)c2)cc1OC ZINC000282999538 474268257 /nfs/dbraw/zinc/26/82/57/474268257.db2.gz KQJXKTBBFOUWOX-KRWDZBQOSA-N 0 3 331.412 2.849 20 10 EFCDHN O=C(Nc1ccccc1)N1CC[C@H]([NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000283015963 474273519 /nfs/dbraw/zinc/27/35/19/474273519.db2.gz LWFMBSWZJHTWJM-INIZCTEOSA-N 0 3 329.375 2.927 20 10 EFCDHN COCOc1ccc(OC)cc1CNCc1cccc(OC)c1O ZINC000289460456 474281419 /nfs/dbraw/zinc/28/14/19/474281419.db2.gz OJLNKYZFKMWMQL-UHFFFAOYSA-N 0 3 333.384 2.682 20 10 EFCDHN NC(=O)[C@H]1CCC[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000182930736 474289799 /nfs/dbraw/zinc/28/97/99/474289799.db2.gz LENQWDMCVCYPGE-KRWDZBQOSA-N 0 3 340.423 2.669 20 10 EFCDHN NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000182930736 474289806 /nfs/dbraw/zinc/28/98/06/474289806.db2.gz LENQWDMCVCYPGE-KRWDZBQOSA-N 0 3 340.423 2.669 20 10 EFCDHN CCn1ccnc1[C@H]1OCC[C@@H]1NCc1ccc(N(C)C)c(F)c1 ZINC000275717132 474293147 /nfs/dbraw/zinc/29/31/47/474293147.db2.gz YUKBINFRGFRJJT-RDJZCZTQSA-N 0 3 332.423 2.728 20 10 EFCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C2CCN(c3cc(C)[nH]n3)CC2)c1 ZINC000275817541 474329169 /nfs/dbraw/zinc/32/91/69/474329169.db2.gz DGUNNOMCTZHSFI-CYBMUJFWSA-N 0 3 330.432 2.752 20 10 EFCDHN CNC(=O)[C@H](C)C[N@H+](C)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000183120073 474332841 /nfs/dbraw/zinc/33/28/41/474332841.db2.gz OOMSBHLGBQRZQG-OAHLLOKOSA-N 0 3 342.439 2.785 20 10 EFCDHN CNC(=O)[C@H](C)C[N@@H+](C)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000183120073 474332845 /nfs/dbraw/zinc/33/28/45/474332845.db2.gz OOMSBHLGBQRZQG-OAHLLOKOSA-N 0 3 342.439 2.785 20 10 EFCDHN C[C@@H]1C[C@@H](N2CCOCC2)CN1Cc1ccc(N2CCCCC2)cc1 ZINC000289591417 474337124 /nfs/dbraw/zinc/33/71/24/474337124.db2.gz KLSSOHRVOAKAAG-WIYYLYMNSA-N 0 3 343.515 2.972 20 10 EFCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+]C[C@@]1(O)CCSC1 ZINC000183159293 474340370 /nfs/dbraw/zinc/34/03/70/474340370.db2.gz ZZHTYDFIFKAWGS-IBGZPJMESA-N 0 3 345.464 2.929 20 10 EFCDHN COCC[C@@](C)(O)C[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000183156147 474341169 /nfs/dbraw/zinc/34/11/69/474341169.db2.gz YPNJVBUCNFHYRK-HXUWFJFHSA-N 0 3 345.439 2.848 20 10 EFCDHN C[C@@H](c1ccccc1)[N@H+](CCN1CCNC1=O)Cc1ccccc1[O-] ZINC000289657529 474364703 /nfs/dbraw/zinc/36/47/03/474364703.db2.gz CRUUBXGPASOICJ-INIZCTEOSA-N 0 3 339.439 2.981 20 10 EFCDHN C[C@@H](c1ccccc1)[N@@H+](CCN1CCNC1=O)Cc1ccccc1[O-] ZINC000289657529 474364710 /nfs/dbraw/zinc/36/47/10/474364710.db2.gz CRUUBXGPASOICJ-INIZCTEOSA-N 0 3 339.439 2.981 20 10 EFCDHN C[C@H](NCC(=O)N1CCOCC1)c1ccc(N2CCCCCC2)cc1 ZINC000183353561 474374473 /nfs/dbraw/zinc/37/44/73/474374473.db2.gz WRIQLDBAMOHPPK-KRWDZBQOSA-N 0 3 345.487 2.576 20 10 EFCDHN C[C@@]1(C[NH2+]Cc2cc3c(cc2[O-])OCO3)OCCc2sccc21 ZINC000289729544 474400243 /nfs/dbraw/zinc/40/02/43/474400243.db2.gz GRATZCQIRROXPI-KRWDZBQOSA-N 0 3 333.409 2.760 20 10 EFCDHN COc1ccc(OCCN(C)Cc2cc(OC)c(OC)cc2O)cc1 ZINC000271122283 474402283 /nfs/dbraw/zinc/40/22/83/474402283.db2.gz YINHPWHXEZWVDZ-UHFFFAOYSA-N 0 3 347.411 2.929 20 10 EFCDHN COCCN(Cc1ccc2c(c1)OCO2)Cc1cccc(OC)c1O ZINC000271215147 474445133 /nfs/dbraw/zinc/44/51/33/474445133.db2.gz ZTZIAAJXWDKKCD-UHFFFAOYSA-N 0 3 345.395 2.778 20 10 EFCDHN Nc1ccc(CC(=O)NCC2(N3CCSCC3)CCCCC2)cc1 ZINC000237898502 474497180 /nfs/dbraw/zinc/49/71/80/474497180.db2.gz ROVNLYPOKNALQT-UHFFFAOYSA-N 0 3 347.528 2.679 20 10 EFCDHN COCCOCCOCC[N@H+](C)Cc1c([O-])ccc2ccccc21 ZINC000276328436 474498132 /nfs/dbraw/zinc/49/81/32/474498132.db2.gz GMQIRSWCIKRNRT-UHFFFAOYSA-N 0 3 333.428 2.657 20 10 EFCDHN COCCOCCOCC[N@@H+](C)Cc1c([O-])ccc2ccccc21 ZINC000276328436 474498138 /nfs/dbraw/zinc/49/81/38/474498138.db2.gz GMQIRSWCIKRNRT-UHFFFAOYSA-N 0 3 333.428 2.657 20 10 EFCDHN Nc1ccc(CC(=O)NCC2CCN(Cc3cccs3)CC2)cc1 ZINC000237899810 474499440 /nfs/dbraw/zinc/49/94/40/474499440.db2.gz MTDZOYSUZXMRDE-UHFFFAOYSA-N 0 3 343.496 2.901 20 10 EFCDHN COC[C@@]1(C[NH2+]Cc2cc(C)ccc2[O-])OCCc2ccccc21 ZINC000289951729 474500208 /nfs/dbraw/zinc/50/02/08/474500208.db2.gz UXFPTTHVSWJEQB-HXUWFJFHSA-N 0 3 327.424 2.905 20 10 EFCDHN COC[C@]1(C[NH2+]Cc2cc(C)ccc2[O-])OCCc2ccccc21 ZINC000289951725 474500547 /nfs/dbraw/zinc/50/05/47/474500547.db2.gz UXFPTTHVSWJEQB-FQEVSTJZSA-N 0 3 327.424 2.905 20 10 EFCDHN O=S1(=O)CCC[C@@H](C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000290143281 474559203 /nfs/dbraw/zinc/55/92/03/474559203.db2.gz OERWKYTWQUFYQN-HNNXBMFYSA-N 0 3 345.464 2.974 20 10 EFCDHN C[N@H+](CCn1cc(Br)cn1)Cc1cc(F)ccc1[O-] ZINC000290223845 474561678 /nfs/dbraw/zinc/56/16/78/474561678.db2.gz SBJQTWKFXPTHMX-UHFFFAOYSA-N 0 3 328.185 2.622 20 10 EFCDHN C[N@@H+](CCn1cc(Br)cn1)Cc1cc(F)ccc1[O-] ZINC000290223845 474561682 /nfs/dbraw/zinc/56/16/82/474561682.db2.gz SBJQTWKFXPTHMX-UHFFFAOYSA-N 0 3 328.185 2.622 20 10 EFCDHN COc1cc([O-])c(C[NH2+]C2CCN(CC(F)(F)F)CC2)cc1OC ZINC000290285647 474565607 /nfs/dbraw/zinc/56/56/07/474565607.db2.gz ZPZILKRZJZQPLO-UHFFFAOYSA-N 0 3 348.365 2.526 20 10 EFCDHN [O-]c1ccccc1C[N@@H+](Cc1c[nH]c2nccnc12)C[C@@H]1CCCO1 ZINC000290321614 474566868 /nfs/dbraw/zinc/56/68/68/474566868.db2.gz BSOZCUWNHASPNQ-INIZCTEOSA-N 0 3 338.411 2.845 20 10 EFCDHN [O-]c1ccccc1C[N@H+](Cc1c[nH]c2nccnc12)C[C@@H]1CCCO1 ZINC000290321614 474566872 /nfs/dbraw/zinc/56/68/72/474566872.db2.gz BSOZCUWNHASPNQ-INIZCTEOSA-N 0 3 338.411 2.845 20 10 EFCDHN C[C@@H]1CN(C)CC[C@H]1[N@H+](C)Cc1cc(Br)ccc1[O-] ZINC000290525505 474575405 /nfs/dbraw/zinc/57/54/05/474575405.db2.gz QGZHHFNTOOEGLG-BXUZGUMPSA-N 0 3 327.266 2.927 20 10 EFCDHN C[C@@H]1CN(C)CC[C@H]1[N@@H+](C)Cc1cc(Br)ccc1[O-] ZINC000290525505 474575408 /nfs/dbraw/zinc/57/54/08/474575408.db2.gz QGZHHFNTOOEGLG-BXUZGUMPSA-N 0 3 327.266 2.927 20 10 EFCDHN CCCNC(=O)C1CCN(Cc2cc(Cl)cc(OC)c2O)CC1 ZINC000184677225 474580764 /nfs/dbraw/zinc/58/07/64/474580764.db2.gz RJWROWYFBRWUBM-UHFFFAOYSA-N 0 3 340.851 2.792 20 10 EFCDHN CN(C)c1ccc(CN(C)C(=O)NC[C@H]2CCCCN2C2CC2)cc1 ZINC000277279609 474580865 /nfs/dbraw/zinc/58/08/65/474580865.db2.gz ANEYIJXGLWGJBX-LJQANCHMSA-N 0 3 344.503 2.911 20 10 EFCDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](C3OCCO3)C2)c1[O-] ZINC000184687338 474585033 /nfs/dbraw/zinc/58/50/33/474585033.db2.gz CUHZJVHALCTFOK-NSHDSACASA-N 0 3 327.808 2.639 20 10 EFCDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@H](C3OCCO3)C2)c1[O-] ZINC000184687338 474585035 /nfs/dbraw/zinc/58/50/35/474585035.db2.gz CUHZJVHALCTFOK-NSHDSACASA-N 0 3 327.808 2.639 20 10 EFCDHN CN(C)c1ccc(CNCCOCC(F)(F)C(F)F)cc1F ZINC000277449264 474585520 /nfs/dbraw/zinc/58/55/20/474585520.db2.gz GDKMJGONOQHXIO-UHFFFAOYSA-N 0 3 326.309 2.898 20 10 EFCDHN CC[C@@H]([NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2)c1ccccc1[O-] ZINC000271729423 474587359 /nfs/dbraw/zinc/58/73/59/474587359.db2.gz SBWBHIQJPLQRPW-CZUORRHYSA-N 0 3 345.395 2.602 20 10 EFCDHN CS(=O)(=O)[C@@H]1CCCC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000277479955 474587373 /nfs/dbraw/zinc/58/73/73/474587373.db2.gz BLMRPLDYHCFZSI-OAHLLOKOSA-N 0 3 333.453 2.945 20 10 EFCDHN CS(=O)(=O)[C@@H]1CCCC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000277479955 474587378 /nfs/dbraw/zinc/58/73/78/474587378.db2.gz BLMRPLDYHCFZSI-OAHLLOKOSA-N 0 3 333.453 2.945 20 10 EFCDHN COc1cc(O)c(CN2CCN(C)c3ccccc3C2)cc1OC ZINC000271747833 474588432 /nfs/dbraw/zinc/58/84/32/474588432.db2.gz UEZHIFTUUPFDRV-UHFFFAOYSA-N 0 3 328.412 2.861 20 10 EFCDHN COc1cc([O-])c(C[NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)cc1OC ZINC000271789947 474590381 /nfs/dbraw/zinc/59/03/81/474590381.db2.gz GNPCXUKFASADDW-DYVFJYSZSA-N 0 3 339.457 2.554 20 10 EFCDHN COc1cc(O)c(CN(C)[C@H](CCO)c2ccccc2)cc1OC ZINC000271795277 474592526 /nfs/dbraw/zinc/59/25/26/474592526.db2.gz JVSYUZCODNFOIE-MRXNPFEDSA-N 0 3 331.412 2.965 20 10 EFCDHN [O-]c1cc2c(cc1C[NH2+]C[C@H]1CCN(c3ccccc3F)C1)OCO2 ZINC000291082573 474592726 /nfs/dbraw/zinc/59/27/26/474592726.db2.gz VKTDWZHGJZMYSC-CYBMUJFWSA-N 0 3 344.386 2.876 20 10 EFCDHN CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1cccc(C)c1[O-] ZINC000271834465 474595798 /nfs/dbraw/zinc/59/57/98/474595798.db2.gz PMLYMFGUAMPZRB-SFHVURJKSA-N 0 3 337.423 2.629 20 10 EFCDHN CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NCc1cccc(C)c1O ZINC000271834465 474595800 /nfs/dbraw/zinc/59/58/00/474595800.db2.gz PMLYMFGUAMPZRB-SFHVURJKSA-N 0 3 337.423 2.629 20 10 EFCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@H](O)c2cc(OC)ccc2OC)c1 ZINC000271852243 474596851 /nfs/dbraw/zinc/59/68/51/474596851.db2.gz RLKHBOHGJDJOEB-XIKOKIGWSA-N 0 3 347.411 2.802 20 10 EFCDHN COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]Cc1cc(OC)c(OC)cc1[O-] ZINC000272404801 474610689 /nfs/dbraw/zinc/61/06/89/474610689.db2.gz JVSBBBPNXNJXMS-SCLBCKFNSA-N 0 3 337.416 2.621 20 10 EFCDHN COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]Cc1cc(OC)c(OC)cc1[O-] ZINC000272404807 474610757 /nfs/dbraw/zinc/61/07/57/474610757.db2.gz JVSBBBPNXNJXMS-UGSOOPFHSA-N 0 3 337.416 2.621 20 10 EFCDHN CCOc1cccc(CN2CCC[C@@H]([C@H](O)C(F)(F)F)C2)c1O ZINC000278340341 474614640 /nfs/dbraw/zinc/61/46/40/474614640.db2.gz HQRGDDUSOIXZKA-DOMZBBRYSA-N 0 3 333.350 2.926 20 10 EFCDHN CCNC(=O)COc1cccc(C[NH2+][C@@H](C)c2ccccc2[O-])c1 ZINC000272807181 474626717 /nfs/dbraw/zinc/62/67/17/474626717.db2.gz CNUHJTQQZJOVDC-AWEZNQCLSA-N 0 3 328.412 2.758 20 10 EFCDHN COc1cccc(CN2C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)c1O ZINC000278420691 474639780 /nfs/dbraw/zinc/63/97/80/474639780.db2.gz RNMHHVPRUVFLDJ-TZMCWYRMSA-N 0 3 336.432 2.746 20 10 EFCDHN COC(=O)[C@]12C[N@H+](Cc3cc(OC)c(OC)cc3[O-])C[C@H]1CCCC2 ZINC000284504933 474653510 /nfs/dbraw/zinc/65/35/10/474653510.db2.gz TUZUFAAVNOQDHE-AUUYWEPGSA-N 0 3 349.427 2.575 20 10 EFCDHN COC(=O)[C@]12C[N@@H+](Cc3cc(OC)c(OC)cc3[O-])C[C@H]1CCCC2 ZINC000284504933 474653515 /nfs/dbraw/zinc/65/35/15/474653515.db2.gz TUZUFAAVNOQDHE-AUUYWEPGSA-N 0 3 349.427 2.575 20 10 EFCDHN COc1cc([O-])c(C[NH2+]C[C@@H](O)c2ccc(Cl)cc2)cc1OC ZINC000292830506 474664669 /nfs/dbraw/zinc/66/46/69/474664669.db2.gz REZIMRLCQXUBES-OAHLLOKOSA-N 0 3 337.803 2.886 20 10 EFCDHN COc1c([O-])c(CN(CCC[NH3+])c2cccc(F)c2)ccc1[N+](=O)[O-] ZINC000278528086 474681679 /nfs/dbraw/zinc/68/16/79/474681679.db2.gz UHVBZLKIULDSLD-UHFFFAOYSA-N 0 3 349.362 2.804 20 10 EFCDHN COc1c([O-])c(C[NH2+][C@@H](CCN(C)C)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000278573678 474712818 /nfs/dbraw/zinc/71/28/18/474712818.db2.gz DEULRVPGGQCSBR-AWEZNQCLSA-N 0 3 339.436 2.765 20 10 EFCDHN CCn1cc(CC[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)cn1 ZINC000278578754 474716813 /nfs/dbraw/zinc/71/68/13/474716813.db2.gz JXTXSFICGDDUBR-SFHVURJKSA-N 0 3 329.444 2.832 20 10 EFCDHN CCn1cc(CC[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)cn1 ZINC000278578754 474716821 /nfs/dbraw/zinc/71/68/21/474716821.db2.gz JXTXSFICGDDUBR-SFHVURJKSA-N 0 3 329.444 2.832 20 10 EFCDHN CCCOc1ccc(C[NH2+][C@@H](CC(N)=O)c2ccccc2)c([O-])c1 ZINC000292999942 474759950 /nfs/dbraw/zinc/75/99/50/474759950.db2.gz MZHOSBTZOHEDHN-KRWDZBQOSA-N 0 3 328.412 2.887 20 10 EFCDHN CN(C)c1ccc(CNCc2cccc(N3CCOCC3)c2)cc1 ZINC000293007689 474763777 /nfs/dbraw/zinc/76/37/77/474763777.db2.gz PMHIRXDDPOBDOF-UHFFFAOYSA-N 0 3 325.456 2.879 20 10 EFCDHN CCCOc1ccc(CN2CC[C@H]3[C@@H](C2)NC(=O)N3C(C)C)c(O)c1 ZINC000284779529 474767197 /nfs/dbraw/zinc/76/71/97/474767197.db2.gz XZHQXZJBRVEHNM-SJORKVTESA-N 0 3 347.459 2.558 20 10 EFCDHN COc1cccc(CN2CCC[C@H](Oc3ncccc3F)C2)c1O ZINC000278699217 474782789 /nfs/dbraw/zinc/78/27/89/474782789.db2.gz PDDBQUNMOMXERF-AWEZNQCLSA-N 0 3 332.375 2.978 20 10 EFCDHN COCCOCCOCCC[NH2+][C@H](C)c1c(C)cc(C)cc1[O-] ZINC000284915083 474823896 /nfs/dbraw/zinc/82/38/96/474823896.db2.gz CVNAGCBJTCQZNT-MRXNPFEDSA-N 0 3 325.449 2.729 20 10 EFCDHN COc1ccc(O)c([C@@H](C)NCc2ccc(CS(C)(=O)=O)cc2)c1 ZINC000273305099 474833032 /nfs/dbraw/zinc/83/30/32/474833032.db2.gz CQQKKIWCAYQIDF-CYBMUJFWSA-N 0 3 349.452 2.796 20 10 EFCDHN COc1ccc([O-])c([C@@H](C)[NH2+]Cc2ccc(CS(C)(=O)=O)cc2)c1 ZINC000273305099 474833036 /nfs/dbraw/zinc/83/30/36/474833036.db2.gz CQQKKIWCAYQIDF-CYBMUJFWSA-N 0 3 349.452 2.796 20 10 EFCDHN Cc1cc(N2CC[C@@H](N[C@H](C)c3ccc(C)c(C)c3O)C2=O)n(C)n1 ZINC000273349484 474853206 /nfs/dbraw/zinc/85/32/06/474853206.db2.gz BLJIEXIHULRGBJ-GDBMZVCRSA-N 0 3 342.443 2.507 20 10 EFCDHN CCCCN1CCC([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2[O-])CC1 ZINC000278849695 474871056 /nfs/dbraw/zinc/87/10/56/474871056.db2.gz KWUZMIZZIDDCKG-UHFFFAOYSA-N 0 3 337.420 2.663 20 10 EFCDHN CCCC[NH+]1CCC(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])CC1 ZINC000278849695 474871065 /nfs/dbraw/zinc/87/10/65/474871065.db2.gz KWUZMIZZIDDCKG-UHFFFAOYSA-N 0 3 337.420 2.663 20 10 EFCDHN C[C@@H]([NH2+]Cc1ccc(CS(C)(=O)=O)cc1)c1cc(F)ccc1[O-] ZINC000273395020 474876199 /nfs/dbraw/zinc/87/61/99/474876199.db2.gz LTQNSYGXAHTOCH-GFCCVEGCSA-N 0 3 337.416 2.927 20 10 EFCDHN CCNC(=O)C[C@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(OC)c1[O-] ZINC000285065213 474879988 /nfs/dbraw/zinc/87/99/88/474879988.db2.gz LTFGWSRCAHYBCB-CQSZACIVSA-N 0 3 340.851 2.935 20 10 EFCDHN CCNC(=O)C[C@H]1CCCC[N@H+]1Cc1cc(Cl)cc(OC)c1[O-] ZINC000285065213 474879991 /nfs/dbraw/zinc/87/99/91/474879991.db2.gz LTFGWSRCAHYBCB-CQSZACIVSA-N 0 3 340.851 2.935 20 10 EFCDHN COCCNC(=O)[C@H](CC(C)C)[NH2+][C@@H](C)c1ccc(C)c(C)c1[O-] ZINC000273454014 474906066 /nfs/dbraw/zinc/90/60/66/474906066.db2.gz GRNRWSGCIOYGKB-RDJZCZTQSA-N 0 3 336.476 2.837 20 10 EFCDHN Cc1ccc([C@@H](C)[NH2+][C@H]2CCCN(Cc3ccccn3)C2=O)c([O-])c1 ZINC000273506008 474934530 /nfs/dbraw/zinc/93/45/30/474934530.db2.gz ZMJIGWMRLLERJG-QAPCUYQASA-N 0 3 339.439 2.937 20 10 EFCDHN C[C@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cc1c([O-])ccc2ccccc21 ZINC000285266949 474951067 /nfs/dbraw/zinc/95/10/67/474951067.db2.gz YILPVDFBBRBPBO-RDJZCZTQSA-N 0 3 326.440 2.840 20 10 EFCDHN C[C@H]1C[C@H](N2CCOCC2)C[N@H+]1Cc1c([O-])ccc2ccccc21 ZINC000285266949 474951074 /nfs/dbraw/zinc/95/10/74/474951074.db2.gz YILPVDFBBRBPBO-RDJZCZTQSA-N 0 3 326.440 2.840 20 10 EFCDHN [O-]c1ccc2ccccc2c1C[NH+]1CCN(c2ncc(F)cn2)CC1 ZINC000273548395 474957204 /nfs/dbraw/zinc/95/72/04/474957204.db2.gz YECVRCOFZQWIMM-UHFFFAOYSA-N 0 3 338.386 2.797 20 10 EFCDHN C[C@H]1CCSCCN1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000279247227 474966756 /nfs/dbraw/zinc/96/67/56/474966756.db2.gz KVEOFTVEOVNUDT-HNNXBMFYSA-N 0 3 335.517 2.538 20 10 EFCDHN C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cccc(O)c1[O-] ZINC000279425093 474974632 /nfs/dbraw/zinc/97/46/32/474974632.db2.gz YQYMDIZTGFTUNE-PBHICJAKSA-N 0 3 340.423 2.738 20 10 EFCDHN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cccc(O)c1[O-] ZINC000279425093 474974641 /nfs/dbraw/zinc/97/46/41/474974641.db2.gz YQYMDIZTGFTUNE-PBHICJAKSA-N 0 3 340.423 2.738 20 10 EFCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@H](O)c2cc(OC)cc(OC)c2)c1 ZINC000273591165 474979322 /nfs/dbraw/zinc/97/93/22/474979322.db2.gz PGVWCDGGVQXBJW-BUXKBTBVSA-N 0 3 347.411 2.802 20 10 EFCDHN CCOc1cccc(C[NH2+][C@@H]2CCCN(C(=O)N3CCCC3)C2)c1[O-] ZINC000285345863 474980641 /nfs/dbraw/zinc/98/06/41/474980641.db2.gz AKWFMQRQKTUVCV-MRXNPFEDSA-N 0 3 347.459 2.561 20 10 EFCDHN Cc1ccc([C@H](C)[NH2+]CCCN2CCC[C@@H]2C(=O)N(C)C)c([O-])c1C ZINC000273604018 474986590 /nfs/dbraw/zinc/98/65/90/474986590.db2.gz SOEZMHSRAWLFMH-FUHWJXTLSA-N 0 3 347.503 2.602 20 10 EFCDHN CC[C@H]([NH2+]CCCOCCOCCOC)c1ccc(C)cc1[O-] ZINC000279940166 475001259 /nfs/dbraw/zinc/00/12/59/475001259.db2.gz BDHKPKHZIINCJA-KRWDZBQOSA-N 0 3 325.449 2.811 20 10 EFCDHN Cc1cc([O-])c(C[NH2+][C@H]2CCCN(C(=O)N3CCCC3)C2)cc1C ZINC000285400502 475008266 /nfs/dbraw/zinc/00/82/66/475008266.db2.gz FDPBTIVFEVRJMX-KRWDZBQOSA-N 0 3 331.460 2.779 20 10 EFCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]C[C@@H](CO)[C@H]1CCOC1 ZINC000280206898 475014379 /nfs/dbraw/zinc/01/43/79/475014379.db2.gz FIVQBXANZDSYSO-HKUYNNGSSA-N 0 3 327.424 2.794 20 10 EFCDHN COc1cc(Cl)cc(C[NH2+][C@@H](CO)Cc2ccc(F)cc2)c1[O-] ZINC000273711371 475022201 /nfs/dbraw/zinc/02/22/01/475022201.db2.gz GHCOEUACMJJQFP-OAHLLOKOSA-N 0 3 339.794 2.887 20 10 EFCDHN CNS(=O)(=O)c1cccc(CN[C@H](C)c2c(C)cc(C)cc2O)c1 ZINC000293620893 475043661 /nfs/dbraw/zinc/04/36/61/475043661.db2.gz HBTHGHLSZJRZCT-CQSZACIVSA-N 0 3 348.468 2.768 20 10 EFCDHN CCS(=O)(=O)c1ccc(CNCc2cc(C)ccc2O)s1 ZINC000280744009 475046797 /nfs/dbraw/zinc/04/67/97/475046797.db2.gz ZZSMQVBCORUKAC-UHFFFAOYSA-N 0 3 325.455 2.846 20 10 EFCDHN C[C@H](NC[C@H]1CN(C)CCN1C)c1ccc(N2CCCCC2)cc1 ZINC000268879912 475047840 /nfs/dbraw/zinc/04/78/40/475047840.db2.gz HQCJMEJAVPBHOB-PXNSSMCTSA-N 0 3 330.520 2.573 20 10 EFCDHN C[C@@H](NCC(=O)NCC(F)F)c1ccc(N2CCCCC2)cc1 ZINC000280769114 475049062 /nfs/dbraw/zinc/04/90/62/475049062.db2.gz FYWXPBGYRKMDTR-CYBMUJFWSA-N 0 3 325.403 2.709 20 10 EFCDHN CC[C@H]([NH2+]C1CCN([C@H]2CCC[C@H]2O)CC1)c1ccc(F)cc1[O-] ZINC000286017002 475049403 /nfs/dbraw/zinc/04/94/03/475049403.db2.gz IKVSKYKSPFFJED-OKZBNKHCSA-N 0 3 336.451 2.950 20 10 EFCDHN CCOC(=O)c1cnn(C2CC[NH+](Cc3cc(C)ccc3[O-])CC2)c1 ZINC000294768190 475081579 /nfs/dbraw/zinc/08/15/79/475081579.db2.gz JWVPJNMDIXIULG-UHFFFAOYSA-N 0 3 343.427 2.911 20 10 EFCDHN COCCN(CCO)Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000294849753 475087382 /nfs/dbraw/zinc/08/73/82/475087382.db2.gz OSNFZVDNQCPXJX-UHFFFAOYSA-N 0 3 334.485 2.825 20 10 EFCDHN CC[C@@H](C[NH2+]Cc1cc2c(cc1[O-])OCO2)NC(=O)OC(C)(C)C ZINC000294979734 475095367 /nfs/dbraw/zinc/09/53/67/475095367.db2.gz GKVBFOPOBQQQFI-LBPRGKRZSA-N 0 3 338.404 2.514 20 10 EFCDHN C[C@H](NC[C@H]1CN(C)CCN1C)c1ccc(N2CCCCC2)c(F)c1 ZINC000268961083 475096305 /nfs/dbraw/zinc/09/63/05/475096305.db2.gz XISOEQYIGBDJJJ-WMZOPIPTSA-N 0 3 348.510 2.712 20 10 EFCDHN CCN1CCN(c2ccc(CN[C@@H]3C[C@H](C)O[C@H]3C)cc2F)CC1 ZINC000295270903 475118114 /nfs/dbraw/zinc/11/81/14/475118114.db2.gz VPRUCSUTAPJSDU-RLFYNMQTSA-N 0 3 335.467 2.623 20 10 EFCDHN COc1ccc([O-])c(C[N@@H+]2CC[C@H](C(=O)N(C)c3ccccc3)C2)c1 ZINC000281282953 475150663 /nfs/dbraw/zinc/15/06/63/475150663.db2.gz ZJEJFYWXTWTJHV-HNNXBMFYSA-N 0 3 340.423 2.886 20 10 EFCDHN COc1ccc([O-])c(C[N@H+]2CC[C@H](C(=O)N(C)c3ccccc3)C2)c1 ZINC000281282953 475150672 /nfs/dbraw/zinc/15/06/72/475150672.db2.gz ZJEJFYWXTWTJHV-HNNXBMFYSA-N 0 3 340.423 2.886 20 10 EFCDHN C[C@@H]1[C@H](NC(=O)NCc2ccccc2O)CCN1Cc1ccccc1 ZINC000287452653 475153320 /nfs/dbraw/zinc/15/33/20/475153320.db2.gz IEAOOZRQTUZKCW-CRAIPNDOSA-N 0 3 339.439 2.854 20 10 EFCDHN C[C@H]([NH2+][C@H]1CCCN(C(=O)N2CCCC2)C1)c1cc(F)ccc1[O-] ZINC000287457606 475157258 /nfs/dbraw/zinc/15/72/58/475157258.db2.gz LSLQMALQWCJCCJ-ZFWWWQNUSA-N 0 3 335.423 2.862 20 10 EFCDHN C[C@H]([NH2+][C@@H]1CCCN(C(=O)N2CCCC2)C1)c1cc(F)ccc1[O-] ZINC000287457592 475157295 /nfs/dbraw/zinc/15/72/95/475157295.db2.gz LSLQMALQWCJCCJ-DZGCQCFKSA-N 0 3 335.423 2.862 20 10 EFCDHN C[C@@H]([NH2+][C@H]1CCCN(C(=O)N2CCCC2)C1)c1cc(F)ccc1[O-] ZINC000287457596 475157515 /nfs/dbraw/zinc/15/75/15/475157515.db2.gz LSLQMALQWCJCCJ-HIFRSBDPSA-N 0 3 335.423 2.862 20 10 EFCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCCN(C(=O)N3CCCC3)C2)c1 ZINC000287563215 475197284 /nfs/dbraw/zinc/19/72/84/475197284.db2.gz QGGSZDJCPLGYGQ-LSDHHAIUSA-N 0 3 347.459 2.732 20 10 EFCDHN CCN1CCC(NC(=O)NCc2c(C)c3ccccc3n2C)CC1 ZINC000349168826 475913436 /nfs/dbraw/zinc/91/34/36/475913436.db2.gz RUQBWULNTWPJBE-UHFFFAOYSA-N 0 3 328.460 2.770 20 10 EFCDHN CCN1CCC[C@@H]1CNC(=O)NCc1c(C)c2ccccc2n1C ZINC000349461837 475974053 /nfs/dbraw/zinc/97/40/53/475974053.db2.gz OQHADHJRFPWPCQ-OAHLLOKOSA-N 0 3 328.460 2.770 20 10 EFCDHN Cc1c2ccccc2n(C)c1CNC(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000350060213 476040074 /nfs/dbraw/zinc/04/00/74/476040074.db2.gz PXDDPVXHNUXHLZ-INIZCTEOSA-N 0 3 338.455 2.642 20 10 EFCDHN CCOc1cccc(C[N@@H+]2CC[C@@]3(C2)C(=O)Nc2ccccc23)c1[O-] ZINC000373535031 476413534 /nfs/dbraw/zinc/41/35/34/476413534.db2.gz PZKXOAJRNCHEGR-FQEVSTJZSA-N 0 3 338.407 2.887 20 10 EFCDHN CCOc1cccc(C[N@H+]2CC[C@@]3(C2)C(=O)Nc2ccccc23)c1[O-] ZINC000373535031 476413541 /nfs/dbraw/zinc/41/35/41/476413541.db2.gz PZKXOAJRNCHEGR-FQEVSTJZSA-N 0 3 338.407 2.887 20 10 EFCDHN Cc1cc([O-])c(C[N@H+]2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)cc1C ZINC000374257941 476464703 /nfs/dbraw/zinc/46/47/03/476464703.db2.gz SOSXMBSKXXGZSV-PKOBYXMFSA-N 0 3 329.444 2.831 20 10 EFCDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)cc1C ZINC000374257941 476464709 /nfs/dbraw/zinc/46/47/09/476464709.db2.gz SOSXMBSKXXGZSV-PKOBYXMFSA-N 0 3 329.444 2.831 20 10 EFCDHN C[C@@H]1C[N@H+](Cc2cccc(Cl)c2[O-])CC[C@H]1N1CCN(C)CC1 ZINC000375021044 476641819 /nfs/dbraw/zinc/64/18/19/476641819.db2.gz NVYHUSYLJXIYNI-RHSMWYFYSA-N 0 3 337.895 2.503 20 10 EFCDHN C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])CC[C@H]1N1CCN(C)CC1 ZINC000375021044 476641823 /nfs/dbraw/zinc/64/18/23/476641823.db2.gz NVYHUSYLJXIYNI-RHSMWYFYSA-N 0 3 337.895 2.503 20 10 EFCDHN C[C@@H]1CN(Cc2cccc(Cl)c2[O-])CC[C@H]1[NH+]1CCN(C)CC1 ZINC000375021044 476641825 /nfs/dbraw/zinc/64/18/25/476641825.db2.gz NVYHUSYLJXIYNI-RHSMWYFYSA-N 0 3 337.895 2.503 20 10 EFCDHN CN1CCC([NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)CC1 ZINC000370110786 476670896 /nfs/dbraw/zinc/67/08/96/476670896.db2.gz JFLNXLYWBHNCHG-KRWDZBQOSA-N 0 3 337.895 2.694 20 10 EFCDHN Nc1ccc(CC(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC000370763437 476973160 /nfs/dbraw/zinc/97/31/60/476973160.db2.gz KTUCPMDOPUGHNQ-IBGZPJMESA-N 0 3 337.467 2.840 20 10 EFCDHN CCOc1ccc(O)c(CN2CCC[C@H](N3CCCCC3=O)C2)c1 ZINC000371372859 477272361 /nfs/dbraw/zinc/27/23/61/477272361.db2.gz IIXXTROTLCFOJJ-INIZCTEOSA-N 0 3 332.444 2.768 20 10 EFCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCCC[C@H]2N2CCOCC2)c1 ZINC000371834256 477518257 /nfs/dbraw/zinc/51/82/57/477518257.db2.gz IJQBEXLMWOCDKV-JCGIZDLHSA-N 0 3 334.460 2.695 20 10 EFCDHN COc1ccc(N2CCC(N[C@@H](CCO)c3ccco3)CC2)cc1 ZINC000376882090 477547020 /nfs/dbraw/zinc/54/70/20/477547020.db2.gz NDARXLQVSWNXSX-SFHVURJKSA-N 0 3 330.428 2.970 20 10 EFCDHN Cc1cc(Br)cc(CN2CC[C@@]3(CC[N@@H+](C)C3)C2)c1[O-] ZINC000368319900 477798585 /nfs/dbraw/zinc/79/85/85/477798585.db2.gz ZGWVFGHUKIMZMH-MRXNPFEDSA-N 0 3 339.277 2.991 20 10 EFCDHN Cc1cc(Br)cc(CN2CC[C@@]3(CC[N@H+](C)C3)C2)c1[O-] ZINC000368319900 477798591 /nfs/dbraw/zinc/79/85/91/477798591.db2.gz ZGWVFGHUKIMZMH-MRXNPFEDSA-N 0 3 339.277 2.991 20 10 EFCDHN Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000471896257 478010623 /nfs/dbraw/zinc/01/06/23/478010623.db2.gz DAZSAQFRYVNOEL-CQSZACIVSA-N 0 3 326.444 2.523 20 10 EFCDHN Cc1c2ccccc2n(C)c1CNC(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000472221148 478012088 /nfs/dbraw/zinc/01/20/88/478012088.db2.gz MLIYUAMEMZNOCG-HNAYVOBHSA-N 0 3 340.471 2.722 20 10 EFCDHN Cc1c2ccccc2n(C)c1CNC(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000471972038 478012702 /nfs/dbraw/zinc/01/27/02/478012702.db2.gz DNYNESHATNYWJF-ZFWWWQNUSA-N 0 3 328.460 2.769 20 10 EFCDHN COCCn1c(C)c(C)c2cc(C(=O)N3CCN[C@@H](C)[C@H]3C)ccc21 ZINC000566627259 479094605 /nfs/dbraw/zinc/09/46/05/479094605.db2.gz MOXAJIMOYAXIJS-GOEBONIOSA-N 0 3 343.471 2.727 20 10 EFCDHN COc1cc(Cl)cc(C[NH2+][C@]2(CO)COc3ccccc3C2)c1[O-] ZINC000529640941 479232392 /nfs/dbraw/zinc/23/23/92/479232392.db2.gz ADNIVLNWLOSUNP-GOSISDBHSA-N 0 3 349.814 2.510 20 10 EFCDHN CCN(Cc1ccccc1)c1ccc(CNCCC(=O)NC)cc1 ZINC000161811282 528830938 /nfs/dbraw/zinc/83/09/38/528830938.db2.gz ODAROAAPMYNORX-UHFFFAOYSA-N 0 3 325.456 2.939 20 10 EFCDHN CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)c1cccc(O)c1[O-] ZINC000193139513 535523774 /nfs/dbraw/zinc/52/37/74/535523774.db2.gz ZZTONOGNUCJUBV-UHFFFAOYSA-N 0 3 348.365 2.834 20 10 EFCDHN CCOc1ccc(O)c(CNCC(=O)N2CCCc3ccccc32)c1 ZINC000237069571 535751670 /nfs/dbraw/zinc/75/16/70/535751670.db2.gz NYVUGQVKGPBQFN-UHFFFAOYSA-N 0 3 340.423 2.860 20 10 EFCDHN CCOc1ccc([O-])c(C[NH2+]Cc2ccccc2Cn2cncn2)c1 ZINC000263671367 535752078 /nfs/dbraw/zinc/75/20/78/535752078.db2.gz JUDRCMQSSXJCEH-UHFFFAOYSA-N 0 3 338.411 2.721 20 10 EFCDHN CCOc1ccc(O)c(CNCc2ccccc2Cn2cncn2)c1 ZINC000263671367 535752082 /nfs/dbraw/zinc/75/20/82/535752082.db2.gz JUDRCMQSSXJCEH-UHFFFAOYSA-N 0 3 338.411 2.721 20 10 EFCDHN COC1CCN(c2ccc(CN3CCN(CC4CC4)CC3)cc2)CC1 ZINC000295634975 536755785 /nfs/dbraw/zinc/75/57/85/536755785.db2.gz XTTXWIJROQVBKT-UHFFFAOYSA-N 0 3 343.515 2.829 20 10 EFCDHN COC1CCN(c2ccc(CN3CCN(C4CCC4)CC3)cc2)CC1 ZINC000297639497 536756018 /nfs/dbraw/zinc/75/60/18/536756018.db2.gz XSUYEQABYKVJIV-UHFFFAOYSA-N 0 3 343.515 2.972 20 10 EFCDHN COc1cc([O-])c(C[NH2+][C@H]2CCc3ccccc3OC2)cc1OC ZINC000367350183 536855901 /nfs/dbraw/zinc/85/59/01/536855901.db2.gz SNEMDOLCXYVEBO-HNNXBMFYSA-N 0 3 329.396 2.893 20 10 EFCDHN c1cc(N2CCOCC2)ccc1CN1CCOCC2(CCCC2)C1 ZINC000373570464 546149564 /nfs/dbraw/zinc/14/95/64/546149564.db2.gz WAVQFWPSNSZIGE-UHFFFAOYSA-N 0 3 330.472 2.916 20 10 EFCDHN Cc1cc(CC(=O)NCCN(C)C)c(C)n1-c1ccc(Cl)cc1 ZINC000755702628 575620849 /nfs/dbraw/zinc/62/08/49/575620849.db2.gz DYWRDORXUUQZKF-UHFFFAOYSA-N 0 3 333.863 2.968 20 10 EFCDHN Cc1ccc(O)c(CN[C@H]2CCN(c3c(F)cccc3F)C2=O)c1 ZINC000756148953 575693183 /nfs/dbraw/zinc/69/31/83/575693183.db2.gz IGEFGQZVZKZCBA-HNNXBMFYSA-N 0 3 332.350 2.874 20 10 EFCDHN C[C@@H]1C[C@H]([NH2+]Cc2ccc(-n3cncn3)nc2)c2c1c(F)ccc2[O-] ZINC000756430979 575738184 /nfs/dbraw/zinc/73/81/84/575738184.db2.gz LISXHADYMCIJRB-RISCZKNCSA-N 0 3 339.374 2.845 20 10 EFCDHN CNS(=O)(=O)Cc1ccc(C[NH2+][C@H](C)c2ccc(C)cc2[O-])cc1 ZINC000756443828 575740700 /nfs/dbraw/zinc/74/07/00/575740700.db2.gz JAKVWHWYHCGIAD-CQSZACIVSA-N 0 3 348.468 2.601 20 10 EFCDHN C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3c2cnn3CCO)c2c1c(F)ccc2[O-] ZINC000756459904 575742624 /nfs/dbraw/zinc/74/26/24/575742624.db2.gz QBQACAXAQITHQO-DFBGVHRSSA-N 0 3 345.418 2.936 20 10 EFCDHN C[C@@H](NC[C@@H](O)C[NH+]1CCCC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000756459912 575742686 /nfs/dbraw/zinc/74/26/86/575742686.db2.gz QECCXDGDHRYRHZ-GHMZBOCLSA-N 0 3 333.259 2.806 20 10 EFCDHN C[C@H](C[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F)CN1CCN(C)CC1 ZINC000756534149 575756529 /nfs/dbraw/zinc/75/65/29/575756529.db2.gz KUGHIKLINLCSOJ-IJEWVQPXSA-N 0 3 335.467 2.553 20 10 EFCDHN COc1ccc(O)c([C@@H](C)NCc2ccc3c(c2)CCS3(=O)=O)c1 ZINC000756741121 575783170 /nfs/dbraw/zinc/78/31/70/575783170.db2.gz CZGPAWWAKHCTDK-GFCCVEGCSA-N 0 3 347.436 2.581 20 10 EFCDHN COc1ccc(O)c([C@H](C)N[C@@H]2CCN(C3CCCCC3)C2=O)c1 ZINC000756763776 575785189 /nfs/dbraw/zinc/78/51/89/575785189.db2.gz YSLYNQLPNBJQJZ-SUMWQHHRSA-N 0 3 332.444 2.985 20 10 EFCDHN CCOc1ccc(N(CC)CC(=O)NC2CCN(CC)CC2)cc1 ZINC000756824613 575789712 /nfs/dbraw/zinc/78/97/12/575789712.db2.gz WGUGPCBHRKWENA-UHFFFAOYSA-N 0 3 333.476 2.512 20 10 EFCDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000757628529 575846164 /nfs/dbraw/zinc/84/61/64/575846164.db2.gz YHDKOQKMZAQWLU-BEFAXECRSA-N 0 3 342.487 2.569 20 10 EFCDHN C[C@@H](NC[C@H]1CCCCS1(=O)=O)c1cc2c(cc1O)CCCC2 ZINC000757657927 575847995 /nfs/dbraw/zinc/84/79/95/575847995.db2.gz UHGCRAULODOZCX-CZUORRHYSA-N 0 3 337.485 2.889 20 10 EFCDHN C[C@@H]([NH2+]C[C@H]1CCCCS1(=O)=O)c1cc2c(cc1[O-])CCCC2 ZINC000757657927 575847996 /nfs/dbraw/zinc/84/79/96/575847996.db2.gz UHGCRAULODOZCX-CZUORRHYSA-N 0 3 337.485 2.889 20 10 EFCDHN NC(=O)[C@@H](C[NH2+]Cc1cc(F)ccc1[O-])Cc1ccccc1Cl ZINC000757908034 575855585 /nfs/dbraw/zinc/85/55/85/575855585.db2.gz XNEONAKWFUWSMD-CYBMUJFWSA-N 0 3 336.794 2.619 20 10 EFCDHN C[N@H+](Cc1c([O-])ccc2cc(Br)ccc21)[C@@H]1CCNC1=O ZINC000758411072 575869111 /nfs/dbraw/zinc/86/91/11/575869111.db2.gz ZEERSMVLJIDRBN-CQSZACIVSA-N 0 3 349.228 2.628 20 10 EFCDHN C[N@@H+](Cc1c([O-])ccc2cc(Br)ccc21)[C@@H]1CCNC1=O ZINC000758411072 575869112 /nfs/dbraw/zinc/86/91/12/575869112.db2.gz ZEERSMVLJIDRBN-CQSZACIVSA-N 0 3 349.228 2.628 20 10 EFCDHN Cc1cc(N(C)C)ccc1CNC(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000758502154 575871019 /nfs/dbraw/zinc/87/10/19/575871019.db2.gz JTYBYDKFXBBGSN-MRXNPFEDSA-N 0 3 346.519 2.933 20 10 EFCDHN CC[C@@H](CN1CCCC1)NC(=O)NCc1ccc(N(C)C)cc1C ZINC000758773317 575877354 /nfs/dbraw/zinc/87/73/54/575877354.db2.gz DIMSTYUVCQEOFO-KRWDZBQOSA-N 0 3 332.492 2.735 20 10 EFCDHN CN(CCCCS(C)(=O)=O)Cc1ccc(N2CCCCC2)cc1 ZINC000759688244 575921620 /nfs/dbraw/zinc/92/16/20/575921620.db2.gz GFRYZEVYJNRBON-UHFFFAOYSA-N 0 3 338.517 2.934 20 10 EFCDHN CN(C)c1ccc(CN(CC[C@@H]2CCS(=O)(=O)C2)C2CC2)cc1 ZINC000760816513 576077313 /nfs/dbraw/zinc/07/73/13/576077313.db2.gz GODQGKCLNLJMBP-MRXNPFEDSA-N 0 3 336.501 2.542 20 10 EFCDHN COc1ccc(O)c(CN(C)c2ccc(OCCN(C)C)cc2)c1 ZINC000761222032 576131955 /nfs/dbraw/zinc/13/19/55/576131955.db2.gz HKQNCPXQPMEMAL-UHFFFAOYSA-N 0 3 330.428 2.978 20 10 EFCDHN COc1ccc([O-])c(C[NH2+]C[C@]2(CO)C[C@H]2c2ccc(F)cc2)c1 ZINC000763444504 576377671 /nfs/dbraw/zinc/37/76/71/576377671.db2.gz PDAJXUWEVKZEMU-HKUYNNGSSA-N 0 3 331.387 2.796 20 10 EFCDHN COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H]2CCCCN2C2CC2)c1 ZINC000764850058 576511786 /nfs/dbraw/zinc/51/17/86/576511786.db2.gz JZVDLKXYHVRQIX-ZFWWWQNUSA-N 0 3 347.459 2.778 20 10 EFCDHN COC[C@@H](NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)C1CC1 ZINC000765128960 577010278 /nfs/dbraw/zinc/01/02/78/577010278.db2.gz YXCXSVXDRSHJDW-QWQRMKEZSA-N 0 3 336.451 2.954 20 10 EFCDHN C[C@@H](NC[C@H](O)COc1cccc(F)c1)c1ccc(N(C)C)cc1 ZINC000765287990 577027722 /nfs/dbraw/zinc/02/77/22/577027722.db2.gz ITKVLLYLMVOFHM-KDOFPFPSSA-N 0 3 332.419 2.982 20 10 EFCDHN C[C@@H](NCCNC(=O)c1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000765309500 577030911 /nfs/dbraw/zinc/03/09/11/577030911.db2.gz DXLPHJGGAKATGN-CQSZACIVSA-N 0 3 329.419 2.972 20 10 EFCDHN COc1ccc(N2CCN(CCN[C@@H](C)c3ccoc3)CC2)cc1 ZINC000765403070 577038517 /nfs/dbraw/zinc/03/85/17/577038517.db2.gz QNAVJRQVDBYRRO-INIZCTEOSA-N 0 3 329.444 2.761 20 10 EFCDHN C[C@H](CN[C@@H](C)c1ccc(N2CCOCC2)cc1Cl)N(C)C ZINC000765774313 577075342 /nfs/dbraw/zinc/07/53/42/577075342.db2.gz IMPOMZAKLSLWRH-KGLIPLIRSA-N 0 3 325.884 2.777 20 10 EFCDHN [O-]c1ccccc1C[NH2+]C[C@H](CO)Cc1cc(F)c(F)c(F)c1 ZINC000767710800 577229553 /nfs/dbraw/zinc/22/95/53/577229553.db2.gz IFQKWIVSKPBPMX-GFCCVEGCSA-N 0 3 325.330 2.750 20 10 EFCDHN CCOc1ccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C2=O)c([O-])c1 ZINC000725850204 577249991 /nfs/dbraw/zinc/24/99/91/577249991.db2.gz QPBQMKUPKROSGS-GOSISDBHSA-N 0 3 340.423 2.682 20 10 EFCDHN O=C(COc1ccccc1C[NH2+]Cc1ccccc1[O-])N1CCCC1 ZINC000725851358 577250636 /nfs/dbraw/zinc/25/06/36/577250636.db2.gz NQFXDYHQBSOZST-UHFFFAOYSA-N 0 3 340.423 2.683 20 10 EFCDHN COCCN1CCN(Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000768219665 577261259 /nfs/dbraw/zinc/26/12/59/577261259.db2.gz MQFATDYPSJRMRX-UHFFFAOYSA-N 0 3 326.440 2.823 20 10 EFCDHN COc1cccc(O)c1CN1CCN(CCc2ccccc2)CC1 ZINC000768216213 577261275 /nfs/dbraw/zinc/26/12/75/577261275.db2.gz RHMQDJWBMQYEBU-UHFFFAOYSA-N 0 3 326.440 2.761 20 10 EFCDHN CN(C)c1ccc(CN2CCCN(C[C@H]3CCCO3)CC2)cc1F ZINC000768252136 577263096 /nfs/dbraw/zinc/26/30/96/577263096.db2.gz XYAUDASKQBQZKG-QGZVFWFLSA-N 0 3 335.467 2.578 20 10 EFCDHN C[N@H+](CCOc1ccc(Cl)cc1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768437818 577273362 /nfs/dbraw/zinc/27/33/62/577273362.db2.gz JOVSXOCTTGBBLC-KRWDZBQOSA-N 0 3 349.814 2.982 20 10 EFCDHN C[N@@H+](CCOc1ccc(Cl)cc1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768437818 577273365 /nfs/dbraw/zinc/27/33/65/577273365.db2.gz JOVSXOCTTGBBLC-KRWDZBQOSA-N 0 3 349.814 2.982 20 10 EFCDHN CN(C)c1ccc(C[N@H+](C)Cc2cc3c(cc2[O-])OC[C@@H]3O)cc1 ZINC000768440783 577273783 /nfs/dbraw/zinc/27/37/83/577273783.db2.gz DRNNMJQXZKKSCH-SFHVURJKSA-N 0 3 328.412 2.516 20 10 EFCDHN CN(C)c1ccc(C[N@@H+](C)Cc2cc3c(cc2[O-])OC[C@@H]3O)cc1 ZINC000768440783 577273784 /nfs/dbraw/zinc/27/37/84/577273784.db2.gz DRNNMJQXZKKSCH-SFHVURJKSA-N 0 3 328.412 2.516 20 10 EFCDHN COc1ccccc1OCCN(C)Cc1cc(OC)c(OC)cc1O ZINC000768444319 577274037 /nfs/dbraw/zinc/27/40/37/577274037.db2.gz XLKYUJLHSQDPJH-UHFFFAOYSA-N 0 3 347.411 2.929 20 10 EFCDHN C[N@@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)C[C@H]1OCCc2ccccc21 ZINC000768444668 577274055 /nfs/dbraw/zinc/27/40/55/577274055.db2.gz NGCDLVRVHPRSRC-UYAOXDASSA-N 0 3 341.407 2.564 20 10 EFCDHN C[N@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)C[C@H]1OCCc2ccccc21 ZINC000768444668 577274058 /nfs/dbraw/zinc/27/40/58/577274058.db2.gz NGCDLVRVHPRSRC-UYAOXDASSA-N 0 3 341.407 2.564 20 10 EFCDHN COc1ccc([C@@H]2CC[N@H+](Cc3cc4c(cc3[O-])OC[C@@H]4O)C2)cc1 ZINC000768444722 577274153 /nfs/dbraw/zinc/27/41/53/577274153.db2.gz NVCZIHITRSMBDF-KUHUBIRLSA-N 0 3 341.407 2.816 20 10 EFCDHN COc1ccc([C@@H]2CC[N@@H+](Cc3cc4c(cc3[O-])OC[C@@H]4O)C2)cc1 ZINC000768444722 577274156 /nfs/dbraw/zinc/27/41/56/577274156.db2.gz NVCZIHITRSMBDF-KUHUBIRLSA-N 0 3 341.407 2.816 20 10 EFCDHN COc1cc(CN2CCC[C@@H](N3CCCCC3=O)C2)c(O)cc1C ZINC000768445722 577274456 /nfs/dbraw/zinc/27/44/56/577274456.db2.gz GSIDKSGJQOLWSJ-MRXNPFEDSA-N 0 3 332.444 2.686 20 10 EFCDHN CCC1(CC)[C@H](OC)C[C@@H]1[N@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768462500 577275568 /nfs/dbraw/zinc/27/55/68/577275568.db2.gz MCJVXRWQSKAXCY-BPQIPLTHSA-N 0 3 335.444 2.844 20 10 EFCDHN CCC1(CC)[C@H](OC)C[C@@H]1[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768462500 577275570 /nfs/dbraw/zinc/27/55/70/577275570.db2.gz MCJVXRWQSKAXCY-BPQIPLTHSA-N 0 3 335.444 2.844 20 10 EFCDHN COC(=O)CCC1CC[NH+](Cc2cc(OC)c(OC)cc2[O-])CC1 ZINC000768464238 577275934 /nfs/dbraw/zinc/27/59/34/577275934.db2.gz OXYXOMHONYAOAB-UHFFFAOYSA-N 0 3 337.416 2.575 20 10 EFCDHN Cc1cccc([C@H]2CCC[N@@H+]2Cc2cc3c(cc2[O-])OC[C@@H]3O)n1 ZINC000768463656 577275977 /nfs/dbraw/zinc/27/59/77/577275977.db2.gz VNZMXCBUOVBQMA-AEFFLSMTSA-N 0 3 326.396 2.859 20 10 EFCDHN Cc1cccc([C@H]2CCC[N@H+]2Cc2cc3c(cc2[O-])OC[C@@H]3O)n1 ZINC000768463656 577275979 /nfs/dbraw/zinc/27/59/79/577275979.db2.gz VNZMXCBUOVBQMA-AEFFLSMTSA-N 0 3 326.396 2.859 20 10 EFCDHN COc1cccc(O)c1CN1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC000768531379 577281065 /nfs/dbraw/zinc/28/10/65/577281065.db2.gz CZIQHHVEJPSPIT-HNNXBMFYSA-N 0 3 333.350 2.926 20 10 EFCDHN COc1cccc(CN2CCC([C@](C)(O)C(F)(F)F)CC2)c1O ZINC000768534105 577281335 /nfs/dbraw/zinc/28/13/35/577281335.db2.gz ZXWKKADNNIBPKA-HNNXBMFYSA-N 0 3 333.350 2.926 20 10 EFCDHN C[C@@H](Cn1cccn1)[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000768689510 577295219 /nfs/dbraw/zinc/29/52/19/577295219.db2.gz HZRMADAOIOLBDA-YOEHRIQHSA-N 0 3 348.878 2.885 20 10 EFCDHN COc1cccc([O-])c1C[NH+]1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC000768867109 577311619 /nfs/dbraw/zinc/31/16/19/577311619.db2.gz BDWVHDZFDAGEAL-OAHLLOKOSA-N 0 3 346.471 2.871 20 10 EFCDHN COC(=O)[C@@H](C)CN(C)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000768880795 577313524 /nfs/dbraw/zinc/31/35/24/577313524.db2.gz IHIQEEGLYYNXDX-AWEZNQCLSA-N 0 3 349.431 2.826 20 10 EFCDHN CCCCN(C)C(=O)C1CC[NH+](Cc2c([O-])cccc2OC)CC1 ZINC000768919128 577316346 /nfs/dbraw/zinc/31/63/46/577316346.db2.gz QEUCAVJMWSKKBL-UHFFFAOYSA-N 0 3 334.460 2.871 20 10 EFCDHN CCOc1ccc(C[N@@H+]2CCC[C@@H]2CN2C[C@H](C)O[C@@H](C)C2)c([O-])c1 ZINC000769106983 577334775 /nfs/dbraw/zinc/33/47/75/577334775.db2.gz HZVVLEJCRLUIDA-XYJFISCASA-N 0 3 348.487 2.865 20 10 EFCDHN CCOc1ccc(C[N@H+]2CCC[C@@H]2CN2C[C@H](C)O[C@@H](C)C2)c([O-])c1 ZINC000769106983 577334776 /nfs/dbraw/zinc/33/47/76/577334776.db2.gz HZVVLEJCRLUIDA-XYJFISCASA-N 0 3 348.487 2.865 20 10 EFCDHN CCOC(=O)N(C)C1CC[NH+](Cc2ccc(OCC)cc2[O-])CC1 ZINC000769309285 577351033 /nfs/dbraw/zinc/35/10/33/577351033.db2.gz LEQXOEXTZTUPIR-UHFFFAOYSA-N 0 3 336.432 2.844 20 10 EFCDHN CCN(CC)c1ccc(CN2CCN([C@H]3CCC[C@H]3O)CC2)cc1 ZINC000769328482 577352459 /nfs/dbraw/zinc/35/24/59/577352459.db2.gz PUCRXZORVNAIPP-VQTJNVASSA-N 0 3 331.504 2.564 20 10 EFCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC000769388532 577357927 /nfs/dbraw/zinc/35/79/27/577357927.db2.gz SORMZBHMTOXISD-AWEZNQCLSA-N 0 3 334.460 2.775 20 10 EFCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC000769388532 577357930 /nfs/dbraw/zinc/35/79/30/577357930.db2.gz SORMZBHMTOXISD-AWEZNQCLSA-N 0 3 334.460 2.775 20 10 EFCDHN CCN(CC)c1ccc(CN2CCN(C(C)(C)CO)CC2)cc1F ZINC000769444651 577362576 /nfs/dbraw/zinc/36/25/76/577362576.db2.gz AVDXNZHYJQQHOB-UHFFFAOYSA-N 0 3 337.483 2.560 20 10 EFCDHN CCN1C[C@@H](C)N(Cc2ccc(N3CCOCC3)c(F)c2)C[C@H]1C ZINC000769467821 577364695 /nfs/dbraw/zinc/36/46/95/577364695.db2.gz ZKYKMBSOYZPHSJ-HZPDHXFCSA-N 0 3 335.467 2.577 20 10 EFCDHN CC[NH+](CC)CCO[C@H]1CCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000769515363 577369121 /nfs/dbraw/zinc/36/91/21/577369121.db2.gz OZHLGEZFXROIMD-INIZCTEOSA-N 0 3 326.868 2.978 20 10 EFCDHN COCCN(C)CCNC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000726982985 577427370 /nfs/dbraw/zinc/42/73/70/577427370.db2.gz IWXIQXQCINELDS-UHFFFAOYSA-N 0 3 347.434 2.541 20 10 EFCDHN COC(=O)c1ccc(N2CC[N@H+](Cc3ccccc3[O-])[C@@H](C)C2)cc1 ZINC000770510181 581104557 /nfs/dbraw/zinc/10/45/57/581104557.db2.gz LMVUNDVJMBPOED-HNNXBMFYSA-N 0 3 340.423 2.890 20 10 EFCDHN COC(=O)c1ccc(N2CC[N@@H+](Cc3ccccc3[O-])[C@@H](C)C2)cc1 ZINC000770510181 581104558 /nfs/dbraw/zinc/10/45/58/581104558.db2.gz LMVUNDVJMBPOED-HNNXBMFYSA-N 0 3 340.423 2.890 20 10 EFCDHN CSc1cc(CNCc2ccc(N3CCN(C)CC3)cc2)ccn1 ZINC000771882027 581254246 /nfs/dbraw/zinc/25/42/46/581254246.db2.gz PSEYHTYSZMWKJN-UHFFFAOYSA-N 0 3 342.512 2.845 20 10 EFCDHN C[C@@H](NCCn1cccn1)c1ccc(N2CCOCC2)cc1Cl ZINC000772954118 581383120 /nfs/dbraw/zinc/38/31/20/581383120.db2.gz WEIBYLODFJEDPP-CQSZACIVSA-N 0 3 334.851 2.724 20 10 EFCDHN C[C@H](NCCn1cccn1)c1ccc(N2CCOCC2)cc1Cl ZINC000772954114 581383133 /nfs/dbraw/zinc/38/31/33/581383133.db2.gz WEIBYLODFJEDPP-AWEZNQCLSA-N 0 3 334.851 2.724 20 10 EFCDHN C[C@H](NC(=O)NC1CCN(C2CC2)CC1)c1ccc(N(C)C)cc1 ZINC000773136542 581400077 /nfs/dbraw/zinc/40/00/77/581400077.db2.gz IYHLHMVGBDUYKF-AWEZNQCLSA-N 0 3 330.476 2.740 20 10 EFCDHN C[C@H](CN1CCCCC1)NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773360737 581423120 /nfs/dbraw/zinc/42/31/20/581423120.db2.gz GWRQKENZHWRICM-HZPDHXFCSA-N 0 3 332.492 2.987 20 10 EFCDHN C[C@H](CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1)N1CCCCC1 ZINC000773366738 581423505 /nfs/dbraw/zinc/42/35/05/581423505.db2.gz GIZIZILPUAMPOR-HZPDHXFCSA-N 0 3 332.492 2.987 20 10 EFCDHN C[C@@H](CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)N1CCCCC1 ZINC000773366737 581423508 /nfs/dbraw/zinc/42/35/08/581423508.db2.gz GIZIZILPUAMPOR-HOTGVXAUSA-N 0 3 332.492 2.987 20 10 EFCDHN Cc1nn(C)c(C)c1NC(=O)[C@H](C)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000774487323 581492612 /nfs/dbraw/zinc/49/26/12/581492612.db2.gz ZDFOCOFONAJFOO-JSGCOSHPSA-N 0 3 343.475 2.781 20 10 EFCDHN CCN1CCN(c2ccc(CNCc3nc(C)c(C)[nH]3)cc2F)CC1 ZINC000850127082 1250296218 /nfs/dbraw/zinc/29/62/18/1250296218.db2.gz TUDIDUBBUYQQGM-UHFFFAOYSA-N 0 3 345.466 2.597 20 10 EFCDHN O=C1N(C2CCCC2)CC[C@@]12CC[N@@H+](Cc1cc(F)ccc1[O-])C2 ZINC001273286057 1265478706 /nfs/dbraw/zinc/47/87/06/1265478706.db2.gz YARSXTLSZIFVJF-LJQANCHMSA-N 0 3 332.419 2.898 20 10 EFCDHN O=C1N(C2CCCC2)CC[C@@]12CC[N@H+](Cc1cc(F)ccc1[O-])C2 ZINC001273286057 1265478711 /nfs/dbraw/zinc/47/87/11/1265478711.db2.gz YARSXTLSZIFVJF-LJQANCHMSA-N 0 3 332.419 2.898 20 10 EFCDHN CCn1nc(C)c(CNCc2ccc(N3CCC(O)CC3)cc2)c1C ZINC000850405742 1250468434 /nfs/dbraw/zinc/46/84/34/1250468434.db2.gz BSVPOWBRUXEPHY-UHFFFAOYSA-N 0 3 342.487 2.771 20 10 EFCDHN OC1CCN(c2ccc(CNCc3ccc(Cl)nc3)cc2)CC1 ZINC000850406043 1250468477 /nfs/dbraw/zinc/46/84/77/1250468477.db2.gz PGPIZODDKSIMCN-UHFFFAOYSA-N 0 3 331.847 2.986 20 10 EFCDHN COc1ccc(N2C[C@H]([NH2+][C@@H]3CCc4cccc([O-])c43)CC2=O)cc1 ZINC000850515731 1250519113 /nfs/dbraw/zinc/51/91/13/1250519113.db2.gz OBKNZKLHHKOTCL-RHSMWYFYSA-N 0 3 338.407 2.783 20 10 EFCDHN C[C@@H]1C[C@@H]([NH2+]C2CCN([C@@H]3CCOC3)CC2)c2c1c(F)ccc2[O-] ZINC000850557753 1250535724 /nfs/dbraw/zinc/53/57/24/1250535724.db2.gz SDWBYCLMQHGQTN-XNRPHZJLSA-N 0 3 334.435 2.923 20 10 EFCDHN Cn1ncc2c1CCC[C@H]2NCc1ccc(N2CCC(O)CC2)cc1 ZINC000850565737 1250538840 /nfs/dbraw/zinc/53/88/40/1250538840.db2.gz HSZCPBLHZWNBMD-LJQANCHMSA-N 0 3 340.471 2.548 20 10 EFCDHN COc1ccc(N2CC[C@H](NC(=O)[C@@H](N)CC3CCCCC3)C2)cc1 ZINC000851639609 1251162842 /nfs/dbraw/zinc/16/28/42/1251162842.db2.gz ICGBJKQQVBBADU-LPHOPBHVSA-N 0 3 345.487 2.688 20 10 EFCDHN c1cc(CNCc2ccc3c(c2)CCCO3)cc(N2CCOCC2)n1 ZINC000921519166 1256891081 /nfs/dbraw/zinc/89/10/81/1256891081.db2.gz BDKIWIQBCKCLEI-UHFFFAOYSA-N 0 3 339.439 2.533 20 10 EFCDHN O=S(=O)(CCCNCc1ccc2c(c1)CCCO2)c1ccccc1 ZINC000921605062 1257523719 /nfs/dbraw/zinc/52/37/19/1257523719.db2.gz ZMDVDMWZJNYFFL-UHFFFAOYSA-N 0 3 345.464 2.965 20 10 EFCDHN Cc1ccc(C[N@@H+]2CC[C@@]3(CCN(CC(F)(F)F)C3=O)C2)c([O-])c1 ZINC001272764565 1257674294 /nfs/dbraw/zinc/67/42/94/1257674294.db2.gz BBNXFOGDECIXHP-MRXNPFEDSA-N 0 3 342.361 2.687 20 10 EFCDHN Cc1ccc(C[N@H+]2CC[C@@]3(CCN(CC(F)(F)F)C3=O)C2)c([O-])c1 ZINC001272764565 1257674301 /nfs/dbraw/zinc/67/43/01/1257674301.db2.gz BBNXFOGDECIXHP-MRXNPFEDSA-N 0 3 342.361 2.687 20 10 EFCDHN Cc1cc([C@H](C)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)nn1C ZINC000903448070 1260720734 /nfs/dbraw/zinc/72/07/34/1260720734.db2.gz JAXRMBUBRHHMMK-KXBFYZLASA-N 0 3 329.492 2.748 20 10 EFCDHN COC(=O)COc1ccccc1CN[C@@H](C)c1cc(OC)ccc1O ZINC000922212404 1264968389 /nfs/dbraw/zinc/96/83/89/1264968389.db2.gz FTDXHTPOLNKRNY-ZDUSSCGKSA-N 0 3 345.395 2.803 20 10 EFCDHN COc1cc(Br)cc(C[NH2+]C[C@@]2(C)CCOC2)c1[O-] ZINC000733328066 1265169510 /nfs/dbraw/zinc/16/95/10/1265169510.db2.gz RLHOJLMRCMMSIW-CQSZACIVSA-N 0 3 330.222 2.680 20 10 EFCDHN Cc1cc(NC(=O)C[N@H+](Cc2ccccc2[O-])C2CCCC2)n(C)n1 ZINC000733613496 1265316812 /nfs/dbraw/zinc/31/68/12/1265316812.db2.gz YNYCDTWRLAHZNG-UHFFFAOYSA-N 0 3 342.443 2.817 20 10 EFCDHN Cc1cc(NC(=O)C[N@@H+](Cc2ccccc2[O-])C2CCCC2)n(C)n1 ZINC000733613496 1265316819 /nfs/dbraw/zinc/31/68/19/1265316819.db2.gz YNYCDTWRLAHZNG-UHFFFAOYSA-N 0 3 342.443 2.817 20 10 EFCDHN COc1cccc([O-])c1C[N@H+](C)C1CC(NC(=O)OC(C)(C)C)C1 ZINC000824733466 1278269378 /nfs/dbraw/zinc/26/93/78/1278269378.db2.gz VGGGGJHMYYMTFB-UHFFFAOYSA-N 0 3 336.432 2.888 20 10 EFCDHN COc1cccc([O-])c1C[N@@H+](C)C1CC(NC(=O)OC(C)(C)C)C1 ZINC000824733466 1278269382 /nfs/dbraw/zinc/26/93/82/1278269382.db2.gz VGGGGJHMYYMTFB-UHFFFAOYSA-N 0 3 336.432 2.888 20 10 EFCDHN CC(=O)[C@@H](C)N1CC[C@@]2(CCCN2Cc2c(C)ccc(C)c2O)C1=O ZINC001273049165 1266788840 /nfs/dbraw/zinc/78/88/40/1266788840.db2.gz ONNVVPWLGAHYLO-QRWLVFNGSA-N 0 3 344.455 2.553 20 10 EFCDHN CC(=O)[C@H](C)N1CC[C@@]2(CCCN2Cc2c(C)ccc(C)c2O)C1=O ZINC001273049166 1266789173 /nfs/dbraw/zinc/78/91/73/1266789173.db2.gz ONNVVPWLGAHYLO-YWZLYKJASA-N 0 3 344.455 2.553 20 10 EFCDHN CCOc1ccc(C[NH2+]C[C@H]2CCN2C(=O)OC(C)(C)C)c([O-])c1 ZINC000922793879 1266827617 /nfs/dbraw/zinc/82/76/17/1266827617.db2.gz IENSGHVNTIOBDW-CQSZACIVSA-N 0 3 336.432 2.890 20 10 EFCDHN CCN(CC)c1ccc(CNC(=O)N[C@@H]2CCN(C3CC3)C2)cc1 ZINC000734274149 1266933298 /nfs/dbraw/zinc/93/32/98/1266933298.db2.gz NGBWTWXJWVMMCK-MRXNPFEDSA-N 0 3 330.476 2.569 20 10 EFCDHN COc1ccc(O)c([C@@H](C)NCc2cccc(S(C)(=O)=O)c2)c1 ZINC000824789920 1278308199 /nfs/dbraw/zinc/30/81/99/1278308199.db2.gz JGZITWSGYRTZAM-GFCCVEGCSA-N 0 3 335.425 2.655 20 10 EFCDHN O=S1(=O)CCC[C@@H]([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000735925860 1267457339 /nfs/dbraw/zinc/45/73/39/1267457339.db2.gz WPZYTIUVHDVGCW-QGZVFWFLSA-N 0 3 331.437 2.726 20 10 EFCDHN CCN1C[C@@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])CC1=O ZINC000824887305 1278348336 /nfs/dbraw/zinc/34/83/36/1278348336.db2.gz UKCQSYUSNWGDMR-KRWDZBQOSA-N 0 3 340.423 2.682 20 10 EFCDHN C[C@H](NCc1ccc(N(C)C)cc1)C(=O)NCCc1ccccc1 ZINC000825035147 1278391697 /nfs/dbraw/zinc/39/16/97/1278391697.db2.gz FNQYEEQGSDWFMN-INIZCTEOSA-N 0 3 325.456 2.590 20 10 EFCDHN CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000825040994 1278393762 /nfs/dbraw/zinc/39/37/62/1278393762.db2.gz XWJQFFLJISYKNY-OLZOCXBDSA-N 0 3 327.808 2.876 20 10 EFCDHN CNC(=O)C[C@H](C)[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000825068302 1278403484 /nfs/dbraw/zinc/40/34/84/1278403484.db2.gz NLSUXIVHDAKGCL-AWEZNQCLSA-N 0 3 328.412 2.585 20 10 EFCDHN CCN(CC)c1ccc(CN(C)Cc2cc(=O)n3nccc3[nH]2)cc1 ZINC000738299240 1268441917 /nfs/dbraw/zinc/44/19/17/1268441917.db2.gz MVDZINBOTZQXOZ-UHFFFAOYSA-N 0 3 339.443 2.501 20 10 EFCDHN COc1ccc(O)c(CN[C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)c1 ZINC000825111683 1278414376 /nfs/dbraw/zinc/41/43/76/1278414376.db2.gz ONHSPZINQKGKMB-KGLIPLIRSA-N 0 3 340.423 2.857 20 10 EFCDHN COc1cc(Cl)cc(C[N@H+](CCO)C2CCSCC2)c1[O-] ZINC000825133727 1278423947 /nfs/dbraw/zinc/42/39/47/1278423947.db2.gz MAAZNDMGZBVINT-UHFFFAOYSA-N 0 3 331.865 2.744 20 10 EFCDHN COc1cc(Cl)cc(C[N@@H+](CCO)C2CCSCC2)c1[O-] ZINC000825133727 1278423949 /nfs/dbraw/zinc/42/39/49/1278423949.db2.gz MAAZNDMGZBVINT-UHFFFAOYSA-N 0 3 331.865 2.744 20 10 EFCDHN COC[C@]1(CO)CC[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000825158582 1278455278 /nfs/dbraw/zinc/45/52/78/1278455278.db2.gz QVUXBWYCVZBYDR-HXUWFJFHSA-N 0 3 327.424 2.890 20 10 EFCDHN COC[C@]1(CO)CC[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000825158582 1278455282 /nfs/dbraw/zinc/45/52/82/1278455282.db2.gz QVUXBWYCVZBYDR-HXUWFJFHSA-N 0 3 327.424 2.890 20 10 EFCDHN COc1ccc(N2CCCN(C(=O)CN3[C@H](C)CC[C@@H]3C)CC2)cc1 ZINC000741140685 1269348736 /nfs/dbraw/zinc/34/87/36/1269348736.db2.gz VENMQDUGYFLYRN-CALCHBBNSA-N 0 3 345.487 2.607 20 10 EFCDHN COc1ccc(N2CCCN(C(=O)CN3[C@@H](C)CC[C@@H]3C)CC2)cc1 ZINC000741140687 1269348845 /nfs/dbraw/zinc/34/88/45/1269348845.db2.gz VENMQDUGYFLYRN-IRXDYDNUSA-N 0 3 345.487 2.607 20 10 EFCDHN C[C@H](F)CCN1CC[C@@H]1CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001085994780 1269450045 /nfs/dbraw/zinc/45/00/45/1269450045.db2.gz UQKOQPHHVOLUMU-SWLSCSKDSA-N 0 3 349.410 2.743 20 10 EFCDHN CCN(C(=O)c1ccc(N=NC(N)=O)cc1)[C@H]1CCN(CCCF)C1 ZINC001034052838 1270933708 /nfs/dbraw/zinc/93/37/08/1270933708.db2.gz MNWOGEFAUOYFDD-HNNXBMFYSA-N 0 3 349.410 2.745 20 10 EFCDHN C[C@H]1CCCN1C(=O)CC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000744403364 1271028150 /nfs/dbraw/zinc/02/81/50/1271028150.db2.gz YWODHLFOLOXMHW-FUHWJXTLSA-N 0 3 346.471 2.774 20 10 EFCDHN C[C@H]1CCCN1C(=O)CC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000744403364 1271028157 /nfs/dbraw/zinc/02/81/57/1271028157.db2.gz YWODHLFOLOXMHW-FUHWJXTLSA-N 0 3 346.471 2.774 20 10 EFCDHN C[C@H]([NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1)c1cc(F)ccc1[O-] ZINC000702566658 1271494112 /nfs/dbraw/zinc/49/41/12/1271494112.db2.gz MTAIQLHCVXGHQO-MGPUTAFESA-N 0 3 344.430 2.819 20 10 EFCDHN C[C@@H]([NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1)c1ccc(F)cc1[O-] ZINC000702566416 1271494381 /nfs/dbraw/zinc/49/43/81/1271494381.db2.gz HJXVCYRPHNXLIY-FOIQADDNSA-N 0 3 344.430 2.819 20 10 EFCDHN COc1ccc(N(C)CCN(C)C[C@@H](O)c2ccccc2F)cc1 ZINC000844400070 1278947920 /nfs/dbraw/zinc/94/79/20/1278947920.db2.gz VBGKDPBXONLOFD-LJQANCHMSA-N 0 3 332.419 2.936 20 10 EFCDHN COc1ccc(O)c([C@H](C)NCc2ccc(S(C)(=O)=O)s2)c1 ZINC000786965797 1275593301 /nfs/dbraw/zinc/59/33/01/1275593301.db2.gz OFHCLTRYHFOJGB-JTQLQIEISA-N 0 3 341.454 2.717 20 10 EFCDHN CCN(C)C(=O)[C@H](C)[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-] ZINC000788981725 1276448911 /nfs/dbraw/zinc/44/89/11/1276448911.db2.gz GAFLIQHYVMHCNB-MNOVXSKESA-N 0 3 343.265 2.981 20 10 EFCDHN COc1ccc(N2CC[C@H](CNCc3cn4ccccc4n3)C2)cc1 ZINC000818219448 1276493748 /nfs/dbraw/zinc/49/37/48/1276493748.db2.gz GHCNUQOASQJAHQ-MRXNPFEDSA-N 0 3 336.439 2.959 20 10 EFCDHN COc1cccc([O-])c1C[NH2+]CCNC(=O)CCCc1ccccc1 ZINC000818225948 1276494725 /nfs/dbraw/zinc/49/47/25/1276494725.db2.gz WPXKEFGKYWOEFP-UHFFFAOYSA-N 0 3 342.439 2.630 20 10 EFCDHN COc1ccc(N2CC[C@@H](CN[C@H](C)c3cc(C)n(C)n3)C2)cc1 ZINC000818342933 1276511603 /nfs/dbraw/zinc/51/16/03/1276511603.db2.gz WUOYFOXXFAZADX-CVEARBPZSA-N 0 3 328.460 2.914 20 10 EFCDHN COc1ccc(N2CC[C@H](CN[C@@H](C)c3cc(C)n(C)n3)C2)cc1 ZINC000818342936 1276511632 /nfs/dbraw/zinc/51/16/32/1276511632.db2.gz WUOYFOXXFAZADX-JKSUJKDBSA-N 0 3 328.460 2.914 20 10 EFCDHN C[C@]12CC[N@H+](Cc3cc4c(cc3[O-])OC[C@@H]4O)C[C@H]1C2(Cl)Cl ZINC000789486466 1276747967 /nfs/dbraw/zinc/74/79/67/1276747967.db2.gz LUMXRLLBYLJUKA-CFVMTHIKSA-N 0 3 344.238 2.834 20 10 EFCDHN C[C@]12CC[N@@H+](Cc3cc4c(cc3[O-])OC[C@@H]4O)C[C@H]1C2(Cl)Cl ZINC000789486466 1276747970 /nfs/dbraw/zinc/74/79/70/1276747970.db2.gz LUMXRLLBYLJUKA-CFVMTHIKSA-N 0 3 344.238 2.834 20 10 EFCDHN C[C@]12CCN(Cc3cc4c(cc3O)OC[C@@H]4O)C[C@H]1C2(Cl)Cl ZINC000789486466 1276747975 /nfs/dbraw/zinc/74/79/75/1276747975.db2.gz LUMXRLLBYLJUKA-CFVMTHIKSA-N 0 3 344.238 2.834 20 10 EFCDHN CCN(CC)c1ccc(CN(C)[C@@H](C)CN2CCOCC2)cc1F ZINC000789763149 1276971849 /nfs/dbraw/zinc/97/18/49/1276971849.db2.gz FOGLAWGYVBQOLI-INIZCTEOSA-N 0 3 337.483 2.824 20 10 EFCDHN CN(C)c1ccc(CN(C)Cc2ccc3c(c2)NC(=O)CO3)cc1 ZINC000789743484 1276981538 /nfs/dbraw/zinc/98/15/38/1276981538.db2.gz BDDAUJCSFPYVHI-UHFFFAOYSA-N 0 3 325.412 2.716 20 10 EFCDHN O=C(NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)c1cccc(O)c1[O-] ZINC000790668049 1277707998 /nfs/dbraw/zinc/70/79/98/1277707998.db2.gz JJUMVNOWIQKCOB-HNNXBMFYSA-N 0 3 332.444 2.872 20 10 EFCDHN O=C(NC[C@@H]1CCC[N@H+]1CC1CCCCC1)c1cccc(O)c1[O-] ZINC000790668049 1277708002 /nfs/dbraw/zinc/70/80/02/1277708002.db2.gz JJUMVNOWIQKCOB-HNNXBMFYSA-N 0 3 332.444 2.872 20 10 EFCDHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CC(C)(C)CN2CCCC2)c1 ZINC000790748791 1277757932 /nfs/dbraw/zinc/75/79/32/1277757932.db2.gz QGEIMWLVXTXATC-AWEZNQCLSA-N 0 3 334.460 2.951 20 10 EFCDHN COC(=O)c1ccc(CNC[C@@H]2CCN(c3ccc(OC)cc3)C2)o1 ZINC000822494562 1289014272 /nfs/dbraw/zinc/01/42/72/1289014272.db2.gz RBEJDAGIHOOYCP-AWEZNQCLSA-N 0 3 344.411 2.691 20 10 EFCDHN COCCc1ccc(OC[C@H](O)C[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000815081767 1287306230 /nfs/dbraw/zinc/30/62/30/1287306230.db2.gz NWUDIOQGHBBVJL-NVXWUHKLSA-N 0 3 345.439 2.672 20 10 EFCDHN CC[C@@]1([NH2+]Cc2cc(Br)cc(OC)c2[O-])CCOC1 ZINC000791002377 1277900353 /nfs/dbraw/zinc/90/03/53/1277900353.db2.gz GTXBNZPVWZVZHU-CQSZACIVSA-N 0 3 330.222 2.822 20 10 EFCDHN CCN(C)c1ccc(CN[C@H](C(N)=O)[C@H](C)c2ccccc2)cc1 ZINC000815121847 1287315514 /nfs/dbraw/zinc/31/55/14/1287315514.db2.gz YVFIPJHTYUPVEP-BEFAXECRSA-N 0 3 325.456 2.890 20 10 EFCDHN COc1cc(Br)cc(C[NH2+]C[C@@]2(O)CCC[C@H]2C)c1[O-] ZINC000815158784 1287334490 /nfs/dbraw/zinc/33/44/90/1287334490.db2.gz AFYMNHSKWOVBJZ-BMIGLBTASA-N 0 3 344.249 2.804 20 10 EFCDHN CC(C)N1C[C@@H](NCc2ccc(N(C)C)cc2C(F)(F)F)CC1=O ZINC000792989751 1279317936 /nfs/dbraw/zinc/31/79/36/1279317936.db2.gz LFDWXABNUTUIQS-ZDUSSCGKSA-N 0 3 343.393 2.870 20 10 EFCDHN CN(CCNC(=O)NCc1cc(Cl)ccc1O)Cc1ccccc1 ZINC000844909718 1279358349 /nfs/dbraw/zinc/35/83/49/1279358349.db2.gz JBJVNABHDHHAJV-UHFFFAOYSA-N 0 3 347.846 2.977 20 10 EFCDHN COC(=O)[C@@H](Cc1ccccc1)[C@H](C)[NH2+]Cc1c([O-])cccc1OC ZINC000793610064 1279772619 /nfs/dbraw/zinc/77/26/19/1279772619.db2.gz OCTZFDHSRSGAKU-HOCLYGCPSA-N 0 3 343.423 2.911 20 10 EFCDHN C[C@]1(c2ccc(F)cc2)CN(Cc2c(O)cc(O)cc2O)CCO1 ZINC001144514763 1279774762 /nfs/dbraw/zinc/77/47/62/1279774762.db2.gz RGRGCGLJTGLZRG-GOSISDBHSA-N 0 3 333.359 2.690 20 10 EFCDHN COc1cccc([C@H](C)N[C@H](C)C(=O)NCCc2ccccc2)c1O ZINC000846169789 1280046457 /nfs/dbraw/zinc/04/64/57/1280046457.db2.gz UDBZNOSNRSVLEK-LSDHHAIUSA-N 0 3 342.439 2.799 20 10 EFCDHN COc1cccc([C@H](C)N[C@H](C)C(=O)NCc2ccccc2)c1O ZINC000846142561 1280050979 /nfs/dbraw/zinc/05/09/79/1280050979.db2.gz VKRQRRAXYJPCLF-UONOGXRCSA-N 0 3 328.412 2.756 20 10 EFCDHN COc1ccc(N2CCCN(Cc3ccc4nonc4c3)CC2)cc1 ZINC000846778581 1280481203 /nfs/dbraw/zinc/48/12/03/1280481203.db2.gz XLIWCIYDRDQGOJ-UHFFFAOYSA-N 0 3 338.411 2.944 20 10 EFCDHN Cn1cncc1CCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000846823872 1280519333 /nfs/dbraw/zinc/51/93/33/1280519333.db2.gz BDAINUYGODCPBC-SFHVURJKSA-N 0 3 329.444 2.740 20 10 EFCDHN Cn1cncc1CCC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000846823872 1280519337 /nfs/dbraw/zinc/51/93/37/1280519337.db2.gz BDAINUYGODCPBC-SFHVURJKSA-N 0 3 329.444 2.740 20 10 EFCDHN O=C(c1cccc(O)c1[O-])N1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001148214776 1281454563 /nfs/dbraw/zinc/45/45/63/1281454563.db2.gz XAGHTEZRMQSCCV-UHFFFAOYSA-N 0 3 330.428 2.578 20 10 EFCDHN O=C(c1cccc(O)c1[O-])N1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001148214776 1281454568 /nfs/dbraw/zinc/45/45/68/1281454568.db2.gz XAGHTEZRMQSCCV-UHFFFAOYSA-N 0 3 330.428 2.578 20 10 EFCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCS(=O)(=O)NC(C)(C)C)c1[O-] ZINC000808685542 1281844457 /nfs/dbraw/zinc/84/44/57/1281844457.db2.gz SWKJDEKFNALQKD-NSHDSACASA-N 0 3 348.896 2.723 20 10 EFCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H]2CC[C@@H](C(=O)N(C)C)O2)c1[O-] ZINC000808710310 1281867335 /nfs/dbraw/zinc/86/73/35/1281867335.db2.gz OYZNNMCEJBOHNS-WHOFXGATSA-N 0 3 340.851 2.640 20 10 EFCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H]2CCCCS2(=O)=O)c1[O-] ZINC000808713094 1281869441 /nfs/dbraw/zinc/86/94/41/1281869441.db2.gz KFQYQUOYWVMAKG-WCQYABFASA-N 0 3 331.865 2.972 20 10 EFCDHN COCCOCc1ccc(C[NH2+]Cc2ccc(OC)cc2[O-])cc1 ZINC000809658568 1282374675 /nfs/dbraw/zinc/37/46/75/1282374675.db2.gz RIHWQMSNMBUTCB-UHFFFAOYSA-N 0 3 331.412 2.854 20 10 EFCDHN COc1cc(Br)cc(C[N@H+](C)[C@@H]2CCCOC2)c1[O-] ZINC000809692713 1282380606 /nfs/dbraw/zinc/38/06/06/1282380606.db2.gz FJIBVVYURMTVRI-GFCCVEGCSA-N 0 3 330.222 2.774 20 10 EFCDHN COc1cc(Br)cc(C[N@@H+](C)[C@@H]2CCCOC2)c1[O-] ZINC000809692713 1282380617 /nfs/dbraw/zinc/38/06/17/1282380617.db2.gz FJIBVVYURMTVRI-GFCCVEGCSA-N 0 3 330.222 2.774 20 10 EFCDHN O=C(CCC(F)(F)F)N1CCC[C@@H]([NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000809722835 1282427706 /nfs/dbraw/zinc/42/77/06/1282427706.db2.gz KJPDSKJIDPLTMS-CYBMUJFWSA-N 0 3 348.340 2.954 20 10 EFCDHN COc1cccc(O)c1CNCc1cc(C)nc(N2CCCC2)c1 ZINC000810169355 1282965174 /nfs/dbraw/zinc/96/51/74/1282965174.db2.gz WTIUAMSODXXXFE-UHFFFAOYSA-N 0 3 327.428 2.994 20 10 EFCDHN CC[C@H]([NH2+]C[C@@]1(O)CCN(C)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810238082 1283088582 /nfs/dbraw/zinc/08/85/82/1283088582.db2.gz XXWIKPGSKCWGED-ZFWWWQNUSA-N 0 3 332.366 2.518 20 10 EFCDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+]CC1(CO)COC1 ZINC000815597371 1287624493 /nfs/dbraw/zinc/62/44/93/1287624493.db2.gz UWEWYVHNWBBVIU-GOSISDBHSA-N 0 3 327.424 2.665 20 10 EFCDHN CC(C)[C@H](NCc1ccc(N2CCOCC2)cc1)[C@H](O)C(F)(F)F ZINC000813326844 1285794696 /nfs/dbraw/zinc/79/46/96/1285794696.db2.gz ADBNHXXGLHMTFL-HOTGVXAUSA-N 0 3 346.393 2.561 20 10 EFCDHN Cc1cc(CN2C[C@@H]([NH3+])CC(F)(F)C2)c([O-])cc1Br ZINC001206155947 1286002793 /nfs/dbraw/zinc/00/27/93/1286002793.db2.gz NGQLIRNHLASDME-JTQLQIEISA-N 0 3 335.192 2.631 20 10 EFCDHN CCOc1ccc(N2CCN([C@@H]3CCC[C@@H](C(=O)OC)C3)CC2)cc1 ZINC001172638849 1286215742 /nfs/dbraw/zinc/21/57/42/1286215742.db2.gz ZBOPQQCXJOGIMC-SJLPKXTDSA-N 0 3 346.471 2.939 20 10 EFCDHN O=C(c1ccc(F)cc1)N1CCC([NH2+]Cc2cccc(O)c2[O-])CC1 ZINC001173001024 1286378905 /nfs/dbraw/zinc/37/89/05/1286378905.db2.gz ZUAJHURTIHBHJX-UHFFFAOYSA-N 0 3 344.386 2.631 20 10 EFCDHN CS(=O)(=O)N(c1ccc(N)cc1)c1cccc(CN2CCCC2)c1 ZINC001176198967 1287916342 /nfs/dbraw/zinc/91/63/42/1287916342.db2.gz PRPBYIREKFBFGI-UHFFFAOYSA-N 0 3 345.468 2.962 20 10 EFCDHN CC(C)[C@H](C[NH2+]Cc1ccc2ccccc2c1[O-])N1CCN(C)CC1 ZINC000816534273 1288193560 /nfs/dbraw/zinc/19/35/60/1288193560.db2.gz CSWXMPWFSFUTGH-FQEVSTJZSA-N 0 3 341.499 2.907 20 10 EFCDHN [O-]c1c(C[NH+]2CCN(c3ncc(F)cn3)CC2)ccc2ccccc21 ZINC000816569269 1288211939 /nfs/dbraw/zinc/21/19/39/1288211939.db2.gz FJTYPOUOSUVFBR-UHFFFAOYSA-N 0 3 338.386 2.797 20 10 EFCDHN COc1cc(Br)cc(CN2CCC[C@H](O)CC2)c1O ZINC000816667457 1288236330 /nfs/dbraw/zinc/23/63/30/1288236330.db2.gz NTLHOUBCGNGOKS-LBPRGKRZSA-N 0 3 330.222 2.510 20 10 EFCDHN CN1CCN(c2ccc(CN3C[C@@]4(CCCO4)[C@@H]3C3CC3)cc2)CC1 ZINC000816666294 1288236488 /nfs/dbraw/zinc/23/64/88/1288236488.db2.gz JLXQTSPBEXLLCR-SFTDATJTSA-N 0 3 341.499 2.582 20 10 EFCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@H](CC(F)(F)F)C1)[C@@H](O)CO2 ZINC000817365478 1288579173 /nfs/dbraw/zinc/57/91/73/1288579173.db2.gz UDNPCIWEMZUGOH-YGRLFVJLSA-N 0 3 331.334 2.982 20 10 EFCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@H](CC(F)(F)F)C1)[C@@H](O)CO2 ZINC000817365478 1288579178 /nfs/dbraw/zinc/57/91/78/1288579178.db2.gz UDNPCIWEMZUGOH-YGRLFVJLSA-N 0 3 331.334 2.982 20 10 EFCDHN C[C@@H]1C[C@H](NC[C@H](c2ccc(N(C)C)cc2)N(C)C)c2nccn21 ZINC000903447865 1312693812 /nfs/dbraw/zinc/69/38/12/1312693812.db2.gz DPFRXDUYPJYSRS-FHLIZLRMSA-N 0 3 327.476 2.847 20 10 EFCDHN COC(=O)c1c(CN2CCC3(COC3)CC2)c2ccccc2n1C ZINC001232402196 1312694299 /nfs/dbraw/zinc/69/42/99/1312694299.db2.gz IUUVPZJUPXKDPU-UHFFFAOYSA-N 0 3 328.412 2.577 20 10 EFCDHN COC(=O)c1c(CN2CCC[C@@]23CCOC3)c2ccccc2n1C ZINC001232403629 1312695037 /nfs/dbraw/zinc/69/50/37/1312695037.db2.gz AEDIGLIBSPPNIU-IBGZPJMESA-N 0 3 328.412 2.720 20 10 EFCDHN COC(=O)c1c(CN2CCC3(CCO3)CC2)c2ccccc2n1C ZINC001232405224 1312695310 /nfs/dbraw/zinc/69/53/10/1312695310.db2.gz IOUHEEDZTFTMRX-UHFFFAOYSA-N 0 3 328.412 2.720 20 10 EFCDHN C[C@@H](NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1cc2n(n1)CCC2 ZINC000903449206 1312695600 /nfs/dbraw/zinc/69/56/00/1312695600.db2.gz WQJOCYIIENQOST-QRWLVFNGSA-N 0 3 341.503 2.849 20 10 EFCDHN COC(=O)c1c(CN2CCC[C@@H](CCO)C2)c2ccccc2n1C ZINC001232405757 1312696040 /nfs/dbraw/zinc/69/60/40/1312696040.db2.gz PRTANRXUQHDJCL-AWEZNQCLSA-N 0 3 330.428 2.559 20 10 EFCDHN COc1cc(CN2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)c(O)c(C(C)(C)C)c1 ZINC000825658726 1289602177 /nfs/dbraw/zinc/60/21/77/1289602177.db2.gz SGOUNMDZSCJTDN-XGWLTEMNSA-N 0 3 346.471 2.784 20 10 EFCDHN COc1cc(CN(CC(N)=O)C2CCCC2)c(O)c(C(C)(C)C)c1 ZINC000824555340 1289696604 /nfs/dbraw/zinc/69/66/04/1289696604.db2.gz FOFNYUXDKRHPLL-UHFFFAOYSA-N 0 3 334.460 2.928 20 10 EFCDHN [O-]c1cc(Br)ccc1CN1CC[NH+](CC2CC2)CC1 ZINC000824593248 1289713740 /nfs/dbraw/zinc/71/37/40/1289713740.db2.gz NCDXFOZUODBBPN-UHFFFAOYSA-N 0 3 325.250 2.682 20 10 EFCDHN CCOc1ccc(C[N@@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)c([O-])c1 ZINC000824608398 1289724130 /nfs/dbraw/zinc/72/41/30/1289724130.db2.gz GQNYJIUBRLWOIN-AWEZNQCLSA-N 0 3 334.460 2.905 20 10 EFCDHN CCOc1ccc(C[N@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)c([O-])c1 ZINC000824608398 1289724138 /nfs/dbraw/zinc/72/41/38/1289724138.db2.gz GQNYJIUBRLWOIN-AWEZNQCLSA-N 0 3 334.460 2.905 20 10 EFCDHN COC(=O)[C@H]1CN(Cc2ccc(N(C)C)cc2O)Cc2ccccc21 ZINC001232841251 1312792818 /nfs/dbraw/zinc/79/28/18/1312792818.db2.gz ZOMLTKVUMCNHSQ-SFHVURJKSA-N 0 3 340.423 2.731 20 10 EFCDHN CC[N@H+](CCC(=O)OC)Cc1cc(Br)cc(OC)c1[O-] ZINC000092379973 1290685988 /nfs/dbraw/zinc/68/59/88/1290685988.db2.gz RRLDGLCILCKNPK-UHFFFAOYSA-N 0 3 346.221 2.548 20 10 EFCDHN CC[N@@H+](CCC(=O)OC)Cc1cc(Br)cc(OC)c1[O-] ZINC000092379973 1290685998 /nfs/dbraw/zinc/68/59/98/1290685998.db2.gz RRLDGLCILCKNPK-UHFFFAOYSA-N 0 3 346.221 2.548 20 10 EFCDHN Fc1cc(CN2CCC(n3ccnc3)CC2)ccc1N1CCOCC1 ZINC000092648646 1290797526 /nfs/dbraw/zinc/79/75/26/1290797526.db2.gz USCQZWJXRCBBKF-UHFFFAOYSA-N 0 3 344.434 2.696 20 10 EFCDHN Cc1ccc(CN2CC[C@@H]3[C@@H]2CCN3Cc2cc(O)c(O)c(O)c2)o1 ZINC001233012674 1312831728 /nfs/dbraw/zinc/83/17/28/1312831728.db2.gz HWVPQBAYJOPWDP-CVEARBPZSA-N 0 3 344.411 2.554 20 10 EFCDHN C[C@@H]1CN(Cc2cc(O)c(O)c(O)c2)[C@H](C)CN1Cc1ccccc1 ZINC001233015217 1312832680 /nfs/dbraw/zinc/83/26/80/1312832680.db2.gz FOWQNRXCTJBOLS-HUUCEWRRSA-N 0 3 342.439 2.898 20 10 EFCDHN Cc1ccc(C[NH2+]C[C@H](O)c2cc(Cl)c3c(c2)OCCO3)c([O-])c1 ZINC000877047765 1291116343 /nfs/dbraw/zinc/11/63/43/1291116343.db2.gz FKLAVEYSFGFZPY-INIZCTEOSA-N 0 3 349.814 2.948 20 10 EFCDHN CCOC(=O)c1cc(CNCCCSc2nccs2)on1 ZINC000877061779 1291121953 /nfs/dbraw/zinc/12/19/53/1291121953.db2.gz SNMJWUMMROCZCA-UHFFFAOYSA-N 0 3 327.431 2.580 20 10 EFCDHN C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1cc(Cl)ncc1[O-] ZINC001233035233 1312838504 /nfs/dbraw/zinc/83/85/04/1312838504.db2.gz BNSBHJKACKCTLJ-UHFFFAOYSA-N 0 3 347.846 2.909 20 10 EFCDHN C[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cc1cc(Cl)ncc1[O-] ZINC001233035233 1312838508 /nfs/dbraw/zinc/83/85/08/1312838508.db2.gz BNSBHJKACKCTLJ-UHFFFAOYSA-N 0 3 347.846 2.909 20 10 EFCDHN Cc1ccc(C[N@H+]2C[C@@H](c3cnn(C)c3)C3(C2)CCOCC3)c([O-])c1 ZINC000877563946 1291277440 /nfs/dbraw/zinc/27/74/40/1291277440.db2.gz ROELKIKQDPTAFW-SFHVURJKSA-N 0 3 341.455 2.830 20 10 EFCDHN Cc1ccc(C[N@@H+]2C[C@@H](c3cnn(C)c3)C3(C2)CCOCC3)c([O-])c1 ZINC000877563946 1291277446 /nfs/dbraw/zinc/27/74/46/1291277446.db2.gz ROELKIKQDPTAFW-SFHVURJKSA-N 0 3 341.455 2.830 20 10 EFCDHN Cc1cc(Br)cc(C[NH2+][C@@H](C)[C@@H](O)C(F)(F)F)c1[O-] ZINC000877693869 1291332292 /nfs/dbraw/zinc/33/22/92/1291332292.db2.gz SVPMRYHUYSETSG-WRWORJQWSA-N 0 3 342.155 2.864 20 10 EFCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@H](CO)Cc1cc(F)c(F)c(F)c1 ZINC000775166822 1291387517 /nfs/dbraw/zinc/38/75/17/1291387517.db2.gz AXQHXWMHMSHVDP-LLVKDONJSA-N 0 3 343.320 2.889 20 10 EFCDHN COc1ccc(OC)c([C@@H](O)[C@H](C)[NH2+]Cc2ccc(C)cc2[O-])c1 ZINC000877832888 1291400625 /nfs/dbraw/zinc/40/06/25/1291400625.db2.gz SOMAHUZSLMJGGC-DJJJIMSYSA-N 0 3 331.412 2.930 20 10 EFCDHN COCCc1ccnc(NCc2ccc(N3CCN(C)CC3)cc2)c1 ZINC000795807616 1291493478 /nfs/dbraw/zinc/49/34/78/1291493478.db2.gz GKOKYCHHACDOJQ-UHFFFAOYSA-N 0 3 340.471 2.634 20 10 EFCDHN CCCCCCNC(=O)CN[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775260910 1291745009 /nfs/dbraw/zinc/74/50/09/1291745009.db2.gz RHNWIZRHLIILOW-KRWDZBQOSA-N 0 3 347.503 2.870 20 10 EFCDHN CCOC(=O)c1c(CN2CC[C@@H](CO)[C@H]2C)c2ccccc2n1C ZINC001233270577 1312889957 /nfs/dbraw/zinc/88/99/57/1312889957.db2.gz SGGRDUNTNDHNIZ-KGLIPLIRSA-N 0 3 330.428 2.558 20 10 EFCDHN CCOC(=O)c1c(CN2CCC[C@@H](CO)C2)c2ccccc2n1C ZINC001233270272 1312890392 /nfs/dbraw/zinc/89/03/92/1312890392.db2.gz HMWOHPIDCQDFQC-CQSZACIVSA-N 0 3 330.428 2.559 20 10 EFCDHN CCOC(=O)c1c(CN2CCC[C@@H](C)[C@H]2CO)c2ccccc2n1C ZINC001233270561 1312890571 /nfs/dbraw/zinc/89/05/71/1312890571.db2.gz RPKQSAARYZZOGB-RDTXWAMCSA-N 0 3 344.455 2.948 20 10 EFCDHN CCOC(=O)c1c(CN2CCC[C@@H](C)[C@@H]2CO)c2ccccc2n1C ZINC001233270559 1312890583 /nfs/dbraw/zinc/89/05/83/1312890583.db2.gz RPKQSAARYZZOGB-KDOFPFPSSA-N 0 3 344.455 2.948 20 10 EFCDHN COC(=O)[C@@H]1COCCC12CN(Cc1cc(C(C)(C)C)ccc1O)C2 ZINC001233286972 1312895521 /nfs/dbraw/zinc/89/55/21/1312895521.db2.gz QUJWFXYPTRZCEL-INIZCTEOSA-N 0 3 347.455 2.701 20 10 EFCDHN COc1ccc(O)c([C@H](C)NCc2cc(=O)n3cc(C)ccc3n2)c1 ZINC000775373870 1292105389 /nfs/dbraw/zinc/10/53/89/1292105389.db2.gz YWLCNKNNBFMZHH-ZDUSSCGKSA-N 0 3 339.395 2.568 20 10 EFCDHN [O-]c1ccc(F)c(F)c1C[N@H+]1C[C@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC001233333280 1312905690 /nfs/dbraw/zinc/90/56/90/1312905690.db2.gz QJOQKAVPNFTCQK-OKILXGFUSA-N 0 3 345.393 2.629 20 10 EFCDHN [O-]c1ccc(F)c(F)c1C[N@@H+]1C[C@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC001233333280 1312905692 /nfs/dbraw/zinc/90/56/92/1312905692.db2.gz QJOQKAVPNFTCQK-OKILXGFUSA-N 0 3 345.393 2.629 20 10 EFCDHN [O-]c1ccc(F)c(F)c1CN1C[C@@H]2C[N@@H+](Cc3ccccn3)C[C@@H]2C1 ZINC001233333280 1312905694 /nfs/dbraw/zinc/90/56/94/1312905694.db2.gz QJOQKAVPNFTCQK-OKILXGFUSA-N 0 3 345.393 2.629 20 10 EFCDHN [O-]c1ccc(F)c(F)c1CN1C[C@@H]2C[N@H+](Cc3ccccn3)C[C@@H]2C1 ZINC001233333280 1312905697 /nfs/dbraw/zinc/90/56/97/1312905697.db2.gz QJOQKAVPNFTCQK-OKILXGFUSA-N 0 3 345.393 2.629 20 10 EFCDHN [O-]c1ccc(F)c(F)c1C[N@H+]1C[C@H]2CN(Cc3cccnc3)C[C@H]2C1 ZINC001233333493 1312906661 /nfs/dbraw/zinc/90/66/61/1312906661.db2.gz XUKYJLFVDCFMSP-GASCZTMLSA-N 0 3 345.393 2.629 20 10 EFCDHN [O-]c1ccc(F)c(F)c1C[N@@H+]1C[C@H]2CN(Cc3cccnc3)C[C@H]2C1 ZINC001233333493 1312906663 /nfs/dbraw/zinc/90/66/63/1312906663.db2.gz XUKYJLFVDCFMSP-GASCZTMLSA-N 0 3 345.393 2.629 20 10 EFCDHN [O-]c1ccc(F)c(F)c1CN1C[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]2C1 ZINC001233333493 1312906666 /nfs/dbraw/zinc/90/66/66/1312906666.db2.gz XUKYJLFVDCFMSP-GASCZTMLSA-N 0 3 345.393 2.629 20 10 EFCDHN [O-]c1ccc(F)c(F)c1CN1C[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]2C1 ZINC001233333493 1312906669 /nfs/dbraw/zinc/90/66/69/1312906669.db2.gz XUKYJLFVDCFMSP-GASCZTMLSA-N 0 3 345.393 2.629 20 10 EFCDHN C[C@@H]([NH2+]CC(=O)N(C)CCOc1ccccc1F)c1ccccc1[O-] ZINC000879648686 1292217655 /nfs/dbraw/zinc/21/76/55/1292217655.db2.gz ZEOHUQNTEZKNCE-CQSZACIVSA-N 0 3 346.402 2.719 20 10 EFCDHN Cc1cccc(OCCNC(=O)C[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000879649308 1292217800 /nfs/dbraw/zinc/21/78/00/1292217800.db2.gz QHYOEPXXXNCRQQ-OAHLLOKOSA-N 0 3 328.412 2.546 20 10 EFCDHN C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc2c(c1)OCCO2)c1ccccc1[O-] ZINC000879648761 1292217815 /nfs/dbraw/zinc/21/78/15/1292217815.db2.gz CRNXXZAFDOCOLJ-OLZOCXBDSA-N 0 3 342.395 2.841 20 10 EFCDHN COc1cc(NC(=O)C[NH2+][C@H](C)c2ccccc2[O-])cc(OC)c1 ZINC000879648387 1292217959 /nfs/dbraw/zinc/21/79/59/1292217959.db2.gz MMUYJBCNMMCZQL-GFCCVEGCSA-N 0 3 330.384 2.699 20 10 EFCDHN COC(=O)c1cc(C[NH2+][C@H](C)c2ccccc2[O-])cc(C(=O)OC)c1 ZINC000879648912 1292218083 /nfs/dbraw/zinc/21/80/83/1292218083.db2.gz FZBODSOOHUMKSN-GFCCVEGCSA-N 0 3 343.379 2.816 20 10 EFCDHN CC(C)c1noc([C@@H]2CCCN(Cc3cc(O)c(O)cc3O)C2)n1 ZINC001233486391 1312940444 /nfs/dbraw/zinc/94/04/44/1312940444.db2.gz LOVONCUBRDSEKP-LLVKDONJSA-N 0 3 333.388 2.689 20 10 EFCDHN COC(=O)c1ccc([C@H]2CCCN2Cc2cc(O)c(O)cc2O)cc1 ZINC001233487564 1312941154 /nfs/dbraw/zinc/94/11/54/1312941154.db2.gz JPAWUNPHOIQXPF-OAHLLOKOSA-N 0 3 343.379 2.927 20 10 EFCDHN COC(=O)c1ccc([C@@H]2CCCN2Cc2cc(O)c(O)cc2O)cc1 ZINC001233487563 1312941430 /nfs/dbraw/zinc/94/14/30/1312941430.db2.gz JPAWUNPHOIQXPF-HNNXBMFYSA-N 0 3 343.379 2.927 20 10 EFCDHN COC(=O)c1ccccc1N1CCN(Cc2ccccc2O)CC1 ZINC001203555758 1312955144 /nfs/dbraw/zinc/95/51/44/1312955144.db2.gz HLDYJGPRVFZTTF-UHFFFAOYSA-N 0 3 326.396 2.501 20 10 EFCDHN CC[C@@H]([NH2+][C@@H](C)CN1CCN(C)CC1)c1cc(Cl)ccc1[O-] ZINC000775500912 1292783075 /nfs/dbraw/zinc/78/30/75/1292783075.db2.gz AUMQZYBLTOLXNL-XJKSGUPXSA-N 0 3 325.884 2.722 20 10 EFCDHN [NH3+]C[C@@]1(F)CCCN(Cc2c([O-])cc(Br)cc2F)CC1 ZINC001205580183 1292806726 /nfs/dbraw/zinc/80/67/26/1292806726.db2.gz RBMBYGRRMDKTMK-CQSZACIVSA-N 0 3 349.219 2.947 20 10 EFCDHN Cn1cc([C@@H]2COC3(C2)CC[NH+](Cc2ccccc2[O-])CC3)cn1 ZINC001203551820 1312954329 /nfs/dbraw/zinc/95/43/29/1312954329.db2.gz PBZYEOYCRNHXNQ-INIZCTEOSA-N 0 3 327.428 2.664 20 10 EFCDHN CC[C@H]([NH2+]Cc1ccc2c(c1)CCS2(=O)=O)c1ccccc1[O-] ZINC000775527900 1292891922 /nfs/dbraw/zinc/89/19/22/1292891922.db2.gz VZWYQZPSWZZCCH-INIZCTEOSA-N 0 3 331.437 2.963 20 10 EFCDHN COc1cccc(CN2CC[C@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)c1O ZINC001203590008 1312964877 /nfs/dbraw/zinc/96/48/77/1312964877.db2.gz QLIOPXGPFPXSJG-GJZGRUSLSA-N 0 3 348.443 2.985 20 10 EFCDHN COc1cccc(CN2CC3CC2(CNC(=O)OC(C)(C)C)C3)c1O ZINC001203590285 1312965546 /nfs/dbraw/zinc/96/55/46/1312965546.db2.gz VTMADGXQVOLVPX-UHFFFAOYSA-N 0 3 348.443 2.890 20 10 EFCDHN CCOc1cccc(CN2CCC[C@@H](Oc3ncccn3)C2)c1O ZINC001203617164 1312972360 /nfs/dbraw/zinc/97/23/60/1312972360.db2.gz KSDGNPVNCBPVGN-OAHLLOKOSA-N 0 3 329.400 2.624 20 10 EFCDHN CCOc1cccc(CN2CCC[C@H](Oc3nccc(C)n3)C2)c1O ZINC001203617871 1312972573 /nfs/dbraw/zinc/97/25/73/1312972573.db2.gz WKCBXHSLEMLEHE-INIZCTEOSA-N 0 3 343.427 2.933 20 10 EFCDHN COc1ccc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)c([O-])c1 ZINC001203621381 1312973348 /nfs/dbraw/zinc/97/33/48/1312973348.db2.gz CFDCHOKAXMEYQA-HOTGVXAUSA-N 0 3 348.443 2.985 20 10 EFCDHN COc1ccc(C[N@H+]2CC[C@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)c([O-])c1 ZINC001203621381 1312973351 /nfs/dbraw/zinc/97/33/51/1312973351.db2.gz CFDCHOKAXMEYQA-HOTGVXAUSA-N 0 3 348.443 2.985 20 10 EFCDHN COc1ccc(C[NH+]2CCC(NC(=O)C3CCCC3)CC2)c([O-])c1 ZINC001203628056 1312975680 /nfs/dbraw/zinc/97/56/80/1312975680.db2.gz XPBIVZJZEIEVFH-UHFFFAOYSA-N 0 3 332.444 2.672 20 10 EFCDHN COc1ccc(C[N@@H+]2CC[C@@]3(CCCN3C(=O)C(C)C)C2)c([O-])c1 ZINC001203629950 1312975822 /nfs/dbraw/zinc/97/58/22/1312975822.db2.gz OJQQWPCJJNOSSX-IBGZPJMESA-N 0 3 332.444 2.624 20 10 EFCDHN COc1ccc(C[N@H+]2CC[C@@]3(CCCN3C(=O)C(C)C)C2)c([O-])c1 ZINC001203629950 1312975825 /nfs/dbraw/zinc/97/58/25/1312975825.db2.gz OJQQWPCJJNOSSX-IBGZPJMESA-N 0 3 332.444 2.624 20 10 EFCDHN COc1ccc(C[N@@H+]2CCC[C@@H](Oc3cccc(OC)n3)C2)c([O-])c1 ZINC001203635148 1312977112 /nfs/dbraw/zinc/97/71/12/1312977112.db2.gz LKWBJZKPRVMAPV-MRXNPFEDSA-N 0 3 344.411 2.848 20 10 EFCDHN COc1ccc(C[N@H+]2CCC[C@@H](Oc3cccc(OC)n3)C2)c([O-])c1 ZINC001203635148 1312977116 /nfs/dbraw/zinc/97/71/16/1312977116.db2.gz LKWBJZKPRVMAPV-MRXNPFEDSA-N 0 3 344.411 2.848 20 10 EFCDHN COc1ccc(C[N@@H+]2CCC[C@H](Oc3nccnc3C)C2)c([O-])c1 ZINC001203634936 1312977385 /nfs/dbraw/zinc/97/73/85/1312977385.db2.gz BTWUEOGOJWKWFY-INIZCTEOSA-N 0 3 329.400 2.543 20 10 EFCDHN COc1ccc(C[N@H+]2CCC[C@H](Oc3nccnc3C)C2)c([O-])c1 ZINC001203634936 1312977388 /nfs/dbraw/zinc/97/73/88/1312977388.db2.gz BTWUEOGOJWKWFY-INIZCTEOSA-N 0 3 329.400 2.543 20 10 EFCDHN COC(=O)[C@H]1CN(Cc2ccc(OC)cc2O)Cc2ccccc21 ZINC001203634813 1312977515 /nfs/dbraw/zinc/97/75/15/1312977515.db2.gz WSPOUUCVXYYTRR-KRWDZBQOSA-N 0 3 327.380 2.673 20 10 EFCDHN COc1ccc(C[NH+]2CCC(Oc3ccnc(OC)c3)CC2)c([O-])c1 ZINC001203635513 1312977648 /nfs/dbraw/zinc/97/76/48/1312977648.db2.gz ZMHNYWTWHMEYMA-UHFFFAOYSA-N 0 3 344.411 2.848 20 10 EFCDHN COc1ccc(O[C@@H]2CCC[N@H+](Cc3ccc(OC)cc3[O-])C2)nc1 ZINC001203635161 1312977805 /nfs/dbraw/zinc/97/78/05/1312977805.db2.gz MABOLEPNYFCCKC-QGZVFWFLSA-N 0 3 344.411 2.848 20 10 EFCDHN COc1ccc(O[C@@H]2CCC[N@@H+](Cc3ccc(OC)cc3[O-])C2)nc1 ZINC001203635161 1312977809 /nfs/dbraw/zinc/97/78/09/1312977809.db2.gz MABOLEPNYFCCKC-QGZVFWFLSA-N 0 3 344.411 2.848 20 10 EFCDHN [O-]c1c(C[N@H+]2CCC[C@](F)(CO)CC2)cccc1OC(F)(F)F ZINC001233726683 1312978569 /nfs/dbraw/zinc/97/85/69/1312978569.db2.gz FYECDIDAFUSYNX-CQSZACIVSA-N 0 3 337.313 2.977 20 10 EFCDHN [O-]c1c(C[N@@H+]2CCC[C@](F)(CO)CC2)cccc1OC(F)(F)F ZINC001233726683 1312978574 /nfs/dbraw/zinc/97/85/74/1312978574.db2.gz FYECDIDAFUSYNX-CQSZACIVSA-N 0 3 337.313 2.977 20 10 EFCDHN C[N@@H+]1C[C@H]2CCCN(Cc3cc(Br)ccc3[O-])[C@H]2C1 ZINC001203645798 1312979714 /nfs/dbraw/zinc/97/97/14/1312979714.db2.gz SPAHYRZBFUNKMD-RISCZKNCSA-N 0 3 325.250 2.681 20 10 EFCDHN C[N@H+]1C[C@H]2CCCN(Cc3cc(Br)ccc3[O-])[C@H]2C1 ZINC001203645798 1312979717 /nfs/dbraw/zinc/97/97/17/1312979717.db2.gz SPAHYRZBFUNKMD-RISCZKNCSA-N 0 3 325.250 2.681 20 10 EFCDHN CC[N@H+]1C[C@H]2CN(Cc3cc(Br)ccc3[O-])C[C@H]2C1 ZINC001203648731 1312980527 /nfs/dbraw/zinc/98/05/27/1312980527.db2.gz RLSRBXSSDUAVGQ-BETUJISGSA-N 0 3 325.250 2.538 20 10 EFCDHN CC[N@@H+]1C[C@H]2CN(Cc3cc(Br)ccc3[O-])C[C@H]2C1 ZINC001203648731 1312980531 /nfs/dbraw/zinc/98/05/31/1312980531.db2.gz RLSRBXSSDUAVGQ-BETUJISGSA-N 0 3 325.250 2.538 20 10 EFCDHN COc1ccc(O)c(CN2CC3CC2(CNC(=O)OC(C)(C)C)C3)c1 ZINC001203670616 1312986043 /nfs/dbraw/zinc/98/60/43/1312986043.db2.gz VGBFINBQTHOZDM-UHFFFAOYSA-N 0 3 348.443 2.890 20 10 EFCDHN COC(=O)[C@H]1C[C@H](C)C[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])C1 ZINC001233760579 1312986165 /nfs/dbraw/zinc/98/61/65/1312986165.db2.gz HYTVBIDVTKLJQD-JQWIXIFHSA-N 0 3 347.333 2.922 20 10 EFCDHN COC(=O)[C@H]1C[C@H](C)C[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])C1 ZINC001233760579 1312986167 /nfs/dbraw/zinc/98/61/67/1312986167.db2.gz HYTVBIDVTKLJQD-JQWIXIFHSA-N 0 3 347.333 2.922 20 10 EFCDHN [O-]c1c(C[NH+]2CCC(n3cnnc3)CC2)cccc1OC(F)(F)F ZINC001233768238 1312987510 /nfs/dbraw/zinc/98/75/10/1312987510.db2.gz NIABJZHUOOILKW-UHFFFAOYSA-N 0 3 342.321 2.719 20 10 EFCDHN COC(=O)[C@@]1(C)CC[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])C1 ZINC001233775916 1312989792 /nfs/dbraw/zinc/98/97/92/1312989792.db2.gz GIKLZJANZNUXAO-AWEZNQCLSA-N 0 3 333.306 2.676 20 10 EFCDHN COC(=O)[C@@]1(C)CC[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])C1 ZINC001233775916 1312989795 /nfs/dbraw/zinc/98/97/95/1312989795.db2.gz GIKLZJANZNUXAO-AWEZNQCLSA-N 0 3 333.306 2.676 20 10 EFCDHN COc1ccc(O)c(CN2CCC[C@H](Oc3nccc(C)n3)C2)c1 ZINC001203684311 1312989830 /nfs/dbraw/zinc/98/98/30/1312989830.db2.gz QRFMKQIOTPWWOS-INIZCTEOSA-N 0 3 329.400 2.543 20 10 EFCDHN Cc1nc(C)c(C)c(NCc2ccc(N3CCN(C)CC3)cc2)n1 ZINC000882880169 1293367175 /nfs/dbraw/zinc/36/71/75/1293367175.db2.gz FETLZOARIIOMAE-UHFFFAOYSA-N 0 3 325.460 2.766 20 10 EFCDHN C[C@@H]1CN(CCCC[NH2+]Cc2cc(F)cc(F)c2[O-])C[C@@H](C)O1 ZINC000883015287 1293431279 /nfs/dbraw/zinc/43/12/79/1293431279.db2.gz OGQFEFAFIYJIEF-CHWSQXEVSA-N 0 3 328.403 2.649 20 10 EFCDHN COc1cc(CN2CCc3cccc(O)c3C2)ccc1OC(C)=O ZINC001203836871 1313028568 /nfs/dbraw/zinc/02/85/68/1313028568.db2.gz IZQSRLHOWWPFHG-UHFFFAOYSA-N 0 3 327.380 2.884 20 10 EFCDHN Cc1cccc(CN2CCN(CCOc3ccccc3)CC2)c1O ZINC000775646426 1293852503 /nfs/dbraw/zinc/85/25/03/1293852503.db2.gz JQXJEEHYATWAHQ-UHFFFAOYSA-N 0 3 326.440 2.897 20 10 EFCDHN CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CCN2Cc2ccc(O)c(O)c2)C1 ZINC001203874707 1313038210 /nfs/dbraw/zinc/03/82/10/1313038210.db2.gz BWKUVBGZBWDELC-LSDHHAIUSA-N 0 3 348.443 2.929 20 10 EFCDHN O=C1N(c2ccsc2)CC[C@@]12CCN(Cc1ccc(O)c(O)c1)C2 ZINC001203877615 1313039001 /nfs/dbraw/zinc/03/90/01/1313039001.db2.gz UMSNCHFDJNSKBZ-GOSISDBHSA-N 0 3 344.436 2.788 20 10 EFCDHN Oc1ccc(CN2CCc3ncnc(-c4ccncc4)c3CC2)cc1O ZINC001203879731 1313040015 /nfs/dbraw/zinc/04/00/15/1313040015.db2.gz ZIKUOPYJGBHXSW-UHFFFAOYSA-N 0 3 348.406 2.551 20 10 EFCDHN CC(C)(C)OC(=O)N1CC[C@@H]2CN(Cc3ccc(O)c(O)c3)C[C@H]2C1 ZINC001203882895 1313040429 /nfs/dbraw/zinc/04/04/29/1313040429.db2.gz WMUPDVYDNVWFQH-CABCVRRESA-N 0 3 348.443 2.787 20 10 EFCDHN CN1CCN(c2ccc(CN3CCCC[C@H]3c3ncc[nH]3)cc2)CC1 ZINC000775667291 1293990656 /nfs/dbraw/zinc/99/06/56/1293990656.db2.gz HUBHGGKBBUDXTR-IBGZPJMESA-N 0 3 339.487 2.889 20 10 EFCDHN CN(C)c1ccc(CN2C[C@@H]3[C@H](NC(=O)OC(C)(C)C)[C@@H]3C2)cc1 ZINC001203931128 1313049717 /nfs/dbraw/zinc/04/97/17/1313049717.db2.gz NGYWEUUZGUFHIO-BJWYYQGGSA-N 0 3 331.460 2.708 20 10 EFCDHN CCN(CC)c1ccc(CN2CCc3ncnc(OC)c3CC2)cc1 ZINC001203939254 1313051485 /nfs/dbraw/zinc/05/14/85/1313051485.db2.gz MPGLTPCQRDQMJF-UHFFFAOYSA-N 0 3 340.471 2.932 20 10 EFCDHN [O-]c1cccc(F)c1C[NH+]1CCC2(CN(Cc3ccc[nH]3)C2)CC1 ZINC001276354441 1294572467 /nfs/dbraw/zinc/57/24/67/1294572467.db2.gz VAAJBJSCEBNKSA-UHFFFAOYSA-N 0 3 329.419 2.957 20 10 EFCDHN CN(C)c1ccc(CN2CCN([C@H]3CCOC3)CC2)c2ccccc21 ZINC001204233961 1313105670 /nfs/dbraw/zinc/10/56/70/1313105670.db2.gz VEIVGIJKKAPGKY-SFHVURJKSA-N 0 3 339.483 2.812 20 10 EFCDHN CN(C)c1ccc(CN2CCN(CC(C)(C)O)CC2)c2ccccc21 ZINC001204241133 1313106846 /nfs/dbraw/zinc/10/68/46/1313106846.db2.gz WGZKEDGGNZFPER-UHFFFAOYSA-N 0 3 341.499 2.794 20 10 EFCDHN Cc1nc(CN2CCC3(CN(Cc4ccc(O)cc4O)C3)C2)cs1 ZINC001204275252 1313113610 /nfs/dbraw/zinc/11/36/10/1313113610.db2.gz ZYYCAKKYFXMCLG-UHFFFAOYSA-N 0 3 345.468 2.571 20 10 EFCDHN O=C1C[C@@H]2[C@H](CC[N@H+]2Cc2ccc(O)cc2[O-])N1c1ccsc1 ZINC001204274617 1313113625 /nfs/dbraw/zinc/11/36/25/1313113625.db2.gz QRVXTPHOBRLOKG-LSDHHAIUSA-N 0 3 330.409 2.539 20 10 EFCDHN O=C1C[C@@H]2[C@H](CC[N@@H+]2Cc2ccc(O)cc2[O-])N1c1ccsc1 ZINC001204274617 1313113626 /nfs/dbraw/zinc/11/36/26/1313113626.db2.gz QRVXTPHOBRLOKG-LSDHHAIUSA-N 0 3 330.409 2.539 20 10 EFCDHN CC1(C)[N@H+](Cc2ccc(O)cc2[O-])CC[C@]12C(=O)Oc1ccccc12 ZINC001204277487 1313114774 /nfs/dbraw/zinc/11/47/74/1313114774.db2.gz FCMRMJQDKHERNH-FQEVSTJZSA-N 0 3 339.391 2.939 20 10 EFCDHN CC1(C)[N@@H+](Cc2ccc(O)cc2[O-])CC[C@]12C(=O)Oc1ccccc12 ZINC001204277487 1313114776 /nfs/dbraw/zinc/11/47/76/1313114776.db2.gz FCMRMJQDKHERNH-FQEVSTJZSA-N 0 3 339.391 2.939 20 10 EFCDHN CN(C(=O)c1ccccc1)C1CC[NH+](Cc2ccc(O)cc2[O-])CC1 ZINC001204277842 1313115221 /nfs/dbraw/zinc/11/52/21/1313115221.db2.gz MCGIQEISCULCMI-UHFFFAOYSA-N 0 3 340.423 2.834 20 10 EFCDHN NC(=O)[C@@H](c1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1ccc(O)cc1[O-] ZINC001204279407 1313115360 /nfs/dbraw/zinc/11/53/60/1313115360.db2.gz YCICRESBBNGRNO-HKUYNNGSSA-N 0 3 340.423 2.721 20 10 EFCDHN NC(=O)[C@@H](c1ccccc1)[C@@H]1CCCC[N@H+]1Cc1ccc(O)cc1[O-] ZINC001204279407 1313115362 /nfs/dbraw/zinc/11/53/62/1313115362.db2.gz YCICRESBBNGRNO-HKUYNNGSSA-N 0 3 340.423 2.721 20 10 EFCDHN C[C@@H]1[C@@H](NC(=O)OC(C)(C)C)CCCN1Cc1ccc(O)cc1O ZINC001204278244 1313115528 /nfs/dbraw/zinc/11/55/28/1313115528.db2.gz ZLEOYCAILGCYAO-DOMZBBRYSA-N 0 3 336.432 2.975 20 10 EFCDHN NC(=O)[C@@H](c1ccccc1)[C@H]1CCCC[N@@H+]1Cc1ccc(O)cc1[O-] ZINC001204279409 1313115550 /nfs/dbraw/zinc/11/55/50/1313115550.db2.gz YCICRESBBNGRNO-MJGOQNOKSA-N 0 3 340.423 2.721 20 10 EFCDHN NC(=O)[C@@H](c1ccccc1)[C@H]1CCCC[N@H+]1Cc1ccc(O)cc1[O-] ZINC001204279409 1313115553 /nfs/dbraw/zinc/11/55/53/1313115553.db2.gz YCICRESBBNGRNO-MJGOQNOKSA-N 0 3 340.423 2.721 20 10 EFCDHN C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CN(Cc2ccc(O)cc2O)C1 ZINC001204281131 1313115851 /nfs/dbraw/zinc/11/58/51/1313115851.db2.gz RESVLSSIPRTUIA-JSGCOSHPSA-N 0 3 336.432 2.833 20 10 EFCDHN C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CN(Cc2ccc(O)cc2O)C1 ZINC001204281134 1313115918 /nfs/dbraw/zinc/11/59/18/1313115918.db2.gz RESVLSSIPRTUIA-TZMCWYRMSA-N 0 3 336.432 2.833 20 10 EFCDHN CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@H+](Cc3ccc(O)cc3[O-])C[C@@H]21 ZINC001204282717 1313115968 /nfs/dbraw/zinc/11/59/68/1313115968.db2.gz TZFDVEKIJOOPCH-VBNZEHGJSA-N 0 3 348.443 2.833 20 10 EFCDHN CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(O)cc3[O-])C[C@@H]21 ZINC001204282717 1313115970 /nfs/dbraw/zinc/11/59/70/1313115970.db2.gz TZFDVEKIJOOPCH-VBNZEHGJSA-N 0 3 348.443 2.833 20 10 EFCDHN CCC(CC)(CO)[NH2+]Cc1cc(Br)cc(OC)c1[O-] ZINC000304230072 1295159062 /nfs/dbraw/zinc/15/90/62/1295159062.db2.gz NBWAKWHOZCRWHC-UHFFFAOYSA-N 0 3 332.238 2.804 20 10 EFCDHN COC(=O)C[C@H]1CC[N@H+](Cc2c([O-])ccc3ccc(OC)cc32)C1 ZINC001234569394 1313160603 /nfs/dbraw/zinc/16/06/03/1313160603.db2.gz MIZDCKXQEJUIJQ-CYBMUJFWSA-N 0 3 329.396 2.939 20 10 EFCDHN COC(=O)C[C@H]1CC[N@@H+](Cc2c([O-])ccc3ccc(OC)cc32)C1 ZINC001234569394 1313160607 /nfs/dbraw/zinc/16/06/07/1313160607.db2.gz MIZDCKXQEJUIJQ-CYBMUJFWSA-N 0 3 329.396 2.939 20 10 EFCDHN CCO[C@@H]1C[C@H]([NH2+]Cc2cc(Br)cc(C)c2[O-])[C@@H]1OC ZINC000775978386 1295539597 /nfs/dbraw/zinc/53/95/97/1295539597.db2.gz KRTQOXIAAVSCES-GUTXKFCHSA-N 0 3 344.249 2.745 20 10 EFCDHN Cc1cc(Br)cc(CN2CCN(C)[C@H](C)[C@H]2C)c1O ZINC000775986615 1295562616 /nfs/dbraw/zinc/56/26/16/1295562616.db2.gz RGCABUBLSWIAFF-VXGBXAGGSA-N 0 3 327.266 2.988 20 10 EFCDHN COc1cccc([O-])c1C[NH+]1CCC(c2nnc3n2CCCC3)CC1 ZINC000775996161 1295633186 /nfs/dbraw/zinc/63/31/86/1295633186.db2.gz SREUTGJDBDFVKY-UHFFFAOYSA-N 0 3 342.443 2.708 20 10 EFCDHN CCN1CCN(c2ccc(OC3CC(C)(C(=O)OC)C3)cc2)CC1 ZINC001234659978 1313179480 /nfs/dbraw/zinc/17/94/80/1313179480.db2.gz AWNSGYJEPOITCX-UHFFFAOYSA-N 0 3 332.444 2.549 20 10 EFCDHN CCN1CCN(c2ccc(OC[C@@H](C)OC[C@@H](C)OC)cc2)CC1 ZINC001234661923 1313179831 /nfs/dbraw/zinc/17/98/31/1313179831.db2.gz XKKILFXHJIBXLJ-IAGOWNOFSA-N 0 3 336.476 2.647 20 10 EFCDHN CCOC(=O)[C@@H]1CC[C@H](Oc2ccc(N3CCN(CC)CC3)cc2)C1 ZINC001234661889 1313180055 /nfs/dbraw/zinc/18/00/55/1313180055.db2.gz WYXWCJIQVHEBGM-APWZRJJASA-N 0 3 346.471 2.939 20 10 EFCDHN CCOC(=O)[C@H]1CC[C@H](Oc2ccc(N3CCN(CC)CC3)cc2)C1 ZINC001234661890 1313180091 /nfs/dbraw/zinc/18/00/91/1313180091.db2.gz WYXWCJIQVHEBGM-LPHOPBHVSA-N 0 3 346.471 2.939 20 10 EFCDHN CC[C@H](C)N1C(=O)C[C@@]2(CCC[N@H+](Cc3c(C)cccc3[O-])C2)C1=O ZINC001274302157 1296055582 /nfs/dbraw/zinc/05/55/82/1296055582.db2.gz WRKAQXXILLQFFX-MGPUTAFESA-N 0 3 344.455 2.840 20 10 EFCDHN CC[C@H](C)N1C(=O)C[C@@]2(CCC[N@@H+](Cc3c(C)cccc3[O-])C2)C1=O ZINC001274302157 1296055587 /nfs/dbraw/zinc/05/55/87/1296055587.db2.gz WRKAQXXILLQFFX-MGPUTAFESA-N 0 3 344.455 2.840 20 10 EFCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@]2(CCN(CC(F)(F)F)C2=O)C1 ZINC001274301940 1296056195 /nfs/dbraw/zinc/05/61/95/1296056195.db2.gz VVJJEEJERQTYAU-INIZCTEOSA-N 0 3 342.361 2.687 20 10 EFCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@]2(CCN(CC(F)(F)F)C2=O)C1 ZINC001274301940 1296056204 /nfs/dbraw/zinc/05/62/04/1296056204.db2.gz VVJJEEJERQTYAU-INIZCTEOSA-N 0 3 342.361 2.687 20 10 EFCDHN CC(C)(C)c1cc([O-])c(CN2CCO[C@@H]3C[NH2+]C[C@@H]3C2)cc1Cl ZINC001234973339 1313215361 /nfs/dbraw/zinc/21/53/61/1313215361.db2.gz HALRVKHCDWRYJK-CXAGYDPISA-N 0 3 338.879 2.763 20 10 EFCDHN [O-]c1c(C[NH+]2CCN(CCCO)CC2)cccc1-c1ccccc1 ZINC001235000507 1313219498 /nfs/dbraw/zinc/21/94/98/1313219498.db2.gz JOWICDZBHYOHOI-UHFFFAOYSA-N 0 3 326.440 2.559 20 10 EFCDHN [O-]c1cc(C(F)(F)F)ccc1CN1CCOC[C@@]2(CCC[NH2+]C2)C1 ZINC001235023723 1313226392 /nfs/dbraw/zinc/22/63/92/1313226392.db2.gz WGSMFUYCVAUMMX-MRXNPFEDSA-N 0 3 344.377 2.613 20 10 EFCDHN CCOc1ccc(N2CCCC[C@@]23CC(=O)N(CCN(C)C)C3)cc1 ZINC001274799645 1296173657 /nfs/dbraw/zinc/17/36/57/1296173657.db2.gz SSPBCQILIQKBDJ-FQEVSTJZSA-N 0 3 345.487 2.608 20 10 EFCDHN Cc1ncsc1CN1C[C@@H]2CC[N@H+](Cc3ccccc3[O-])[C@@H]2C1 ZINC001275267104 1296246628 /nfs/dbraw/zinc/24/66/28/1296246628.db2.gz KDMFARRKIKMMIE-GOEBONIOSA-N 0 3 329.469 2.863 20 10 EFCDHN Cc1ncsc1CN1C[C@@H]2CC[N@@H+](Cc3ccccc3[O-])[C@@H]2C1 ZINC001275267104 1296246636 /nfs/dbraw/zinc/24/66/36/1296246636.db2.gz KDMFARRKIKMMIE-GOEBONIOSA-N 0 3 329.469 2.863 20 10 EFCDHN CC(C)NC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1[O-])C2 ZINC001275267446 1296247478 /nfs/dbraw/zinc/24/74/78/1296247478.db2.gz OREMNFPHPAZWSP-LJQANCHMSA-N 0 3 331.460 2.798 20 10 EFCDHN CC(C)NC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1[O-])C2 ZINC001275267446 1296247485 /nfs/dbraw/zinc/24/74/85/1296247485.db2.gz OREMNFPHPAZWSP-LJQANCHMSA-N 0 3 331.460 2.798 20 10 EFCDHN [O-]c1cccc(Br)c1CN1CCCC[C@]12CC[NH2+]C2 ZINC001235123065 1313247334 /nfs/dbraw/zinc/24/73/34/1313247334.db2.gz YCKSYHDCOFJNIT-OAHLLOKOSA-N 0 3 325.250 2.873 20 10 EFCDHN COc1cc([O-])c(CN2CC[NH2+]C[C@H]2C(C)C)cc1Br ZINC001235457413 1313327455 /nfs/dbraw/zinc/32/74/55/1313327455.db2.gz DKAQGAUDULBQFN-ZDUSSCGKSA-N 0 3 343.265 2.593 20 10 EFCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@]4(CCN(C)C4=O)C3)c2c1 ZINC001273904719 1297066087 /nfs/dbraw/zinc/06/60/87/1297066087.db2.gz JMWWFAIXYKDPGF-HXUWFJFHSA-N 0 3 340.423 2.608 20 10 EFCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@]4(CCN(C)C4=O)C3)c2c1 ZINC001273904719 1297066106 /nfs/dbraw/zinc/06/61/06/1297066106.db2.gz JMWWFAIXYKDPGF-HXUWFJFHSA-N 0 3 340.423 2.608 20 10 EFCDHN COc1cc([O-])c(CN2C[C@@H](C)CC[C@@H]2C[NH3+])c(Br)c1 ZINC001205855804 1313366557 /nfs/dbraw/zinc/36/65/57/1313366557.db2.gz PIPPGQXOQBIFCK-WDEREUQCSA-N 0 3 343.265 2.723 20 10 EFCDHN COc1cc([O-])c(CN2C[C@@H](C)CC[C@H]2C[NH3+])c(Br)c1 ZINC001205855803 1313366956 /nfs/dbraw/zinc/36/69/56/1313366956.db2.gz PIPPGQXOQBIFCK-QWRGUYRKSA-N 0 3 343.265 2.723 20 10 EFCDHN CCNC(=O)CO[C@@H]1CCC[N@H+](Cc2ccc(C(C)(C)C)cc2[O-])C1 ZINC001235678701 1313372937 /nfs/dbraw/zinc/37/29/37/1313372937.db2.gz LJAPFNDCGOYWAH-QGZVFWFLSA-N 0 3 348.487 2.807 20 10 EFCDHN CCNC(=O)CO[C@@H]1CCC[N@@H+](Cc2ccc(C(C)(C)C)cc2[O-])C1 ZINC001235678701 1313372940 /nfs/dbraw/zinc/37/29/40/1313372940.db2.gz LJAPFNDCGOYWAH-QGZVFWFLSA-N 0 3 348.487 2.807 20 10 EFCDHN COC(=O)[C@H]1COCCC12CN(Cc1ccc(C(C)(C)C)cc1O)C2 ZINC001235678741 1313373338 /nfs/dbraw/zinc/37/33/38/1313373338.db2.gz MFSWUIGUFWHHRB-MRXNPFEDSA-N 0 3 347.455 2.701 20 10 EFCDHN CC(C)(C)c1ccc(C[NH+]2CCC(N3CCOCC3=O)CC2)c([O-])c1 ZINC001235682690 1313374399 /nfs/dbraw/zinc/37/43/99/1313374399.db2.gz ZJGUKOZXIYZCAC-UHFFFAOYSA-N 0 3 346.471 2.513 20 10 EFCDHN [NH3+]C[C@@]1(F)CCCCN(Cc2cc(Br)ccc2[O-])C1 ZINC001206335512 1313438350 /nfs/dbraw/zinc/43/83/50/1313438350.db2.gz FQMOTTYREBKIFH-AWEZNQCLSA-N 0 3 331.229 2.808 20 10 EFCDHN C[N@H+](Cc1cc(Br)cc(F)c1[O-])[C@H]1CCCC[C@H]1N ZINC001236212953 1313456608 /nfs/dbraw/zinc/45/66/08/1313456608.db2.gz ANJBFNPYPJRPRK-OLZOCXBDSA-N 0 3 331.229 2.996 20 10 EFCDHN C[N@@H+](Cc1cc(Br)cc(F)c1[O-])[C@H]1CCCC[C@H]1N ZINC001236212953 1313456610 /nfs/dbraw/zinc/45/66/10/1313456610.db2.gz ANJBFNPYPJRPRK-OLZOCXBDSA-N 0 3 331.229 2.996 20 10 EFCDHN CN(Cc1cc(Br)cc(F)c1[O-])[C@H]1CCCC[C@H]1[NH3+] ZINC001236212953 1313456613 /nfs/dbraw/zinc/45/66/13/1313456613.db2.gz ANJBFNPYPJRPRK-OLZOCXBDSA-N 0 3 331.229 2.996 20 10 EFCDHN COc1cc(C[N@@H+]2CCC[C@H](O)[C@@H](C)C2)c([O-])cc1Br ZINC001236744704 1313520859 /nfs/dbraw/zinc/52/08/59/1313520859.db2.gz BVXCVOZGGQVSLO-GWCFXTLKSA-N 0 3 344.249 2.756 20 10 EFCDHN COc1cc(C[N@H+]2CCC[C@H](O)[C@@H](C)C2)c([O-])cc1Br ZINC001236744704 1313520862 /nfs/dbraw/zinc/52/08/62/1313520862.db2.gz BVXCVOZGGQVSLO-GWCFXTLKSA-N 0 3 344.249 2.756 20 10 EFCDHN COc1cc(CN2CCC[C@H](O)[C@@H](C)C2)c(O)cc1Br ZINC001236744704 1313520863 /nfs/dbraw/zinc/52/08/63/1313520863.db2.gz BVXCVOZGGQVSLO-GWCFXTLKSA-N 0 3 344.249 2.756 20 10 EFCDHN CCc1noc(C2CCN(Cc3cc(OC)c(OC)cc3O)CC2)n1 ZINC001236752961 1313522290 /nfs/dbraw/zinc/52/22/90/1313522290.db2.gz YZTGBAGGRCOHKR-UHFFFAOYSA-N 0 3 347.415 2.734 20 10 EFCDHN COC(=O)c1cccc(CN(C)Cc2cc(OC)c(OC)cc2O)c1 ZINC001236751132 1313522339 /nfs/dbraw/zinc/52/23/39/1313522339.db2.gz AQXNJBGUVZFQLA-UHFFFAOYSA-N 0 3 345.395 2.828 20 10 EFCDHN COc1cc(C[N@H+](C)CC2(C)COC2)c([O-])cc1Br ZINC001236753529 1313522357 /nfs/dbraw/zinc/52/23/57/1313522357.db2.gz PDFMZWZGVKPQMX-UHFFFAOYSA-N 0 3 330.222 2.632 20 10 EFCDHN COc1cc(C[N@@H+](C)CC2(C)COC2)c([O-])cc1Br ZINC001236753529 1313522360 /nfs/dbraw/zinc/52/23/60/1313522360.db2.gz PDFMZWZGVKPQMX-UHFFFAOYSA-N 0 3 330.222 2.632 20 10 EFCDHN CCc1nnc(C2CCN(Cc3cc(OC)c(OC)cc3O)CC2)o1 ZINC001236755255 1313522945 /nfs/dbraw/zinc/52/29/45/1313522945.db2.gz BVJVINQEGOYTIR-UHFFFAOYSA-N 0 3 347.415 2.734 20 10 EFCDHN Oc1ccc(OCc2ccccc2)cc1CN1CC[C@@H](F)[C@@H](O)C1 ZINC001236778701 1313527498 /nfs/dbraw/zinc/52/74/98/1313527498.db2.gz LXASQCHHOLEHFM-MJGOQNOKSA-N 0 3 331.387 2.876 20 10 EFCDHN CCc1ccc(CN2CCN(c3ccc(OC)cn3)CC2)c(O)c1 ZINC001236788812 1313529400 /nfs/dbraw/zinc/52/94/00/1313529400.db2.gz QUGBZTKNZNZEGL-UHFFFAOYSA-N 0 3 327.428 2.680 20 10 EFCDHN CCc1ccc(CN2CCN(c3cccc(OC)n3)CC2)c(O)c1 ZINC001236792857 1313529869 /nfs/dbraw/zinc/52/98/69/1313529869.db2.gz SJFSIRMUXOMVQR-UHFFFAOYSA-N 0 3 327.428 2.680 20 10 EFCDHN [O-]c1cc(Cl)c(Cl)cc1C[NH+]1CCC(N2CCOCC2)CC1 ZINC001236793719 1313530448 /nfs/dbraw/zinc/53/04/48/1313530448.db2.gz OCIRIDGHFXTGKC-UHFFFAOYSA-N 0 3 345.270 2.996 20 10 EFCDHN COc1cc(C)c(C[N@@H+]2CC[C@@]3(CCCN3C(=O)C(C)C)C2)c([O-])c1 ZINC001236814752 1313535712 /nfs/dbraw/zinc/53/57/12/1313535712.db2.gz VUDJHFYYIBBBHT-FQEVSTJZSA-N 0 3 346.471 2.932 20 10 EFCDHN COc1cc(C)c(C[N@H+]2CC[C@@]3(CCCN3C(=O)C(C)C)C2)c([O-])c1 ZINC001236814752 1313535715 /nfs/dbraw/zinc/53/57/15/1313535715.db2.gz VUDJHFYYIBBBHT-FQEVSTJZSA-N 0 3 346.471 2.932 20 10 EFCDHN COc1cc(C)c(C[N@@H+]2CC[C@]3(CCCN3C(=O)C(C)C)C2)c([O-])c1 ZINC001236814756 1313535964 /nfs/dbraw/zinc/53/59/64/1313535964.db2.gz VUDJHFYYIBBBHT-HXUWFJFHSA-N 0 3 346.471 2.932 20 10 EFCDHN COc1cc(C)c(C[N@H+]2CC[C@]3(CCCN3C(=O)C(C)C)C2)c([O-])c1 ZINC001236814756 1313535966 /nfs/dbraw/zinc/53/59/66/1313535966.db2.gz VUDJHFYYIBBBHT-HXUWFJFHSA-N 0 3 346.471 2.932 20 10 EFCDHN [O-]c1cc2ccccc2cc1C[N@H+]1C[C@H]2CN(c3ncccn3)C[C@H]2C1 ZINC001236832529 1313538354 /nfs/dbraw/zinc/53/83/54/1313538354.db2.gz PDSRQUYLZHQCBM-KDURUIRLSA-N 0 3 346.434 2.904 20 10 EFCDHN [O-]c1cc2ccccc2cc1C[N@@H+]1C[C@H]2CN(c3ncccn3)C[C@H]2C1 ZINC001236832529 1313538357 /nfs/dbraw/zinc/53/83/57/1313538357.db2.gz PDSRQUYLZHQCBM-KDURUIRLSA-N 0 3 346.434 2.904 20 10 EFCDHN Clc1cc(N2CCOCC2)ccc1CN1CC(N2CCCCC2)C1 ZINC001236918382 1313552734 /nfs/dbraw/zinc/55/27/34/1313552734.db2.gz GTPUKUZNDHYYLL-UHFFFAOYSA-N 0 3 349.906 2.847 20 10 EFCDHN CCN(Cc1ccncc1)Cc1ccc(N2CCN(C)CC2)cc1F ZINC001236929207 1313555713 /nfs/dbraw/zinc/55/57/13/1313555713.db2.gz BEXXMRCWYNEJMZ-UHFFFAOYSA-N 0 3 342.462 2.995 20 10 EFCDHN COc1ccc2ccc(O)c(CN3CCNC[C@@H]3C(F)(F)F)c2c1 ZINC001236981788 1313565779 /nfs/dbraw/zinc/56/57/79/1313565779.db2.gz NXIXFNZFOYNCMH-MRXNPFEDSA-N 0 3 340.345 2.890 20 10 EFCDHN CCOc1ccc(C[NH+]2CCC(N3CC(F)(F)C3)CC2)c([O-])c1 ZINC001237042793 1313574205 /nfs/dbraw/zinc/57/42/05/1313574205.db2.gz IJWUGRSFEPKUNE-UHFFFAOYSA-N 0 3 326.387 2.706 20 10 EFCDHN CCOc1ccc(C[N@@H+]2CCCN(Cc3ccncc3)CC2)c([O-])c1 ZINC001237044741 1313574549 /nfs/dbraw/zinc/57/45/49/1313574549.db2.gz NDQAPORNMHYKCW-UHFFFAOYSA-N 0 3 341.455 2.894 20 10 EFCDHN CCOc1ccc(C[N@H+]2CCCN(Cc3ccncc3)CC2)c([O-])c1 ZINC001237044741 1313574551 /nfs/dbraw/zinc/57/45/51/1313574551.db2.gz NDQAPORNMHYKCW-UHFFFAOYSA-N 0 3 341.455 2.894 20 10 EFCDHN CCOc1ccc(CN2C[C@H]3[C@H](CN3C(=O)OC(C)(C)C)C2)c(O)c1 ZINC001237047033 1313574883 /nfs/dbraw/zinc/57/48/83/1313574883.db2.gz QOZVLVVFOZGRLY-HOCLYGCPSA-N 0 3 348.443 2.842 20 10 EFCDHN CCOc1ccc(C[N@@H+]2CCC[C@@H](Oc3cc(C)ncn3)C2)c([O-])c1 ZINC001237047061 1313575115 /nfs/dbraw/zinc/57/51/15/1313575115.db2.gz JVXIUJRFDJCMFJ-QGZVFWFLSA-N 0 3 343.427 2.933 20 10 EFCDHN CCOc1ccc(C[N@H+]2CCC[C@@H](Oc3cc(C)ncn3)C2)c([O-])c1 ZINC001237047061 1313575118 /nfs/dbraw/zinc/57/51/18/1313575118.db2.gz JVXIUJRFDJCMFJ-QGZVFWFLSA-N 0 3 343.427 2.933 20 10 EFCDHN CCOc1ccc(C[N@@H+]2CC[C@H](Oc3ccnc(OC)c3)C2)c([O-])c1 ZINC001237047368 1313575248 /nfs/dbraw/zinc/57/52/48/1313575248.db2.gz LUWXJEHOSRWJCX-KRWDZBQOSA-N 0 3 344.411 2.848 20 10 EFCDHN CCOc1ccc(C[N@H+]2CC[C@H](Oc3ccnc(OC)c3)C2)c([O-])c1 ZINC001237047368 1313575251 /nfs/dbraw/zinc/57/52/51/1313575251.db2.gz LUWXJEHOSRWJCX-KRWDZBQOSA-N 0 3 344.411 2.848 20 10 EFCDHN CCOc1ccc(C[NH+]2CCC3(CCN(CC)C3=O)CC2)c([O-])c1 ZINC001237047063 1313575340 /nfs/dbraw/zinc/57/53/40/1313575340.db2.gz QTHSDLXALQRZDP-UHFFFAOYSA-N 0 3 332.444 2.625 20 10 EFCDHN CCOc1ccc(C[N@@H+]2CCC[C@H](Oc3nccc(C)n3)C2)c([O-])c1 ZINC001237048851 1313576027 /nfs/dbraw/zinc/57/60/27/1313576027.db2.gz XQEURQIHHGSSNL-KRWDZBQOSA-N 0 3 343.427 2.933 20 10 EFCDHN CCOc1ccc(C[N@H+]2CCC[C@H](Oc3nccc(C)n3)C2)c([O-])c1 ZINC001237048851 1313576029 /nfs/dbraw/zinc/57/60/29/1313576029.db2.gz XQEURQIHHGSSNL-KRWDZBQOSA-N 0 3 343.427 2.933 20 10 EFCDHN CCOc1ccc(C[N@@H+]2CC[C@@H](Oc3nccc(C)n3)C2)c([O-])c1 ZINC001237048473 1313576073 /nfs/dbraw/zinc/57/60/73/1313576073.db2.gz SFCVSIYCQVIPOU-MRXNPFEDSA-N 0 3 329.400 2.543 20 10 EFCDHN CCOc1ccc(C[N@H+]2CC[C@@H](Oc3nccc(C)n3)C2)c([O-])c1 ZINC001237048473 1313576075 /nfs/dbraw/zinc/57/60/75/1313576075.db2.gz SFCVSIYCQVIPOU-MRXNPFEDSA-N 0 3 329.400 2.543 20 10 EFCDHN COc1cc([O-])c(CN(C)C2CC[NH+](C)CC2)c(Br)c1 ZINC001237064305 1313580359 /nfs/dbraw/zinc/58/03/59/1313580359.db2.gz ZYRSVUPGZZCWMN-UHFFFAOYSA-N 0 3 343.265 2.689 20 10 EFCDHN CSC[C@](C)(O)C[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000305807262 1299031742 /nfs/dbraw/zinc/03/17/42/1299031742.db2.gz ZOJCCNCTZNAPEZ-CYBMUJFWSA-N 0 3 334.279 2.667 20 10 EFCDHN C[C@@H]1C[N@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])CC[C@@]1(C)O ZINC001237053513 1313576614 /nfs/dbraw/zinc/57/66/14/1313576614.db2.gz NNWRSCOJZFELBI-IAQYHMDHSA-N 0 3 333.350 2.926 20 10 EFCDHN C[C@@H]1C[N@@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])CC[C@@]1(C)O ZINC001237053513 1313576616 /nfs/dbraw/zinc/57/66/16/1313576616.db2.gz NNWRSCOJZFELBI-IAQYHMDHSA-N 0 3 333.350 2.926 20 10 EFCDHN COC[C@H]1CN(Cc2ccc(C(C)C)cc2O)Cc2cn(C)nc21 ZINC001237051629 1313576820 /nfs/dbraw/zinc/57/68/20/1313576820.db2.gz NOTNQVFOYUAYHP-QGZVFWFLSA-N 0 3 329.444 2.995 20 10 EFCDHN CCN(C)C(=O)CO[C@H]1CCC[N@H+](Cc2ccc(C(C)C)cc2[O-])C1 ZINC001237051245 1313577009 /nfs/dbraw/zinc/57/70/09/1313577009.db2.gz JAUCFNQZGUWXNU-SFHVURJKSA-N 0 3 348.487 2.975 20 10 EFCDHN CCN(C)C(=O)CO[C@H]1CCC[N@@H+](Cc2ccc(C(C)C)cc2[O-])C1 ZINC001237051245 1313577011 /nfs/dbraw/zinc/57/70/11/1313577011.db2.gz JAUCFNQZGUWXNU-SFHVURJKSA-N 0 3 348.487 2.975 20 10 EFCDHN CC(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(C(C)C)cc3[O-])CC[C@@H]2C1 ZINC001237051500 1313577021 /nfs/dbraw/zinc/57/70/21/1313577021.db2.gz MCQHVNOTISIQSL-UYAOXDASSA-N 0 3 346.471 2.585 20 10 EFCDHN CC(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(C(C)C)cc3[O-])CC[C@@H]2C1 ZINC001237051500 1313577025 /nfs/dbraw/zinc/57/70/25/1313577025.db2.gz MCQHVNOTISIQSL-UYAOXDASSA-N 0 3 346.471 2.585 20 10 EFCDHN C[C@H]1CC[N@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])CC[C@H]1O ZINC001237052881 1313577133 /nfs/dbraw/zinc/57/71/33/1313577133.db2.gz DJBGWYXCLDWMBA-SMDDNHRTSA-N 0 3 333.350 2.926 20 10 EFCDHN C[C@H]1CC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])CC[C@H]1O ZINC001237052881 1313577135 /nfs/dbraw/zinc/57/71/35/1313577135.db2.gz DJBGWYXCLDWMBA-SMDDNHRTSA-N 0 3 333.350 2.926 20 10 EFCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@H+]1CC[C@@H](O)[C@@H](F)CC1 ZINC001237052706 1313577259 /nfs/dbraw/zinc/57/72/59/1313577259.db2.gz BVQNLZYNOAOETK-QWHCGFSZSA-N 0 3 337.313 2.628 20 10 EFCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@@H+]1CC[C@@H](O)[C@@H](F)CC1 ZINC001237052706 1313577261 /nfs/dbraw/zinc/57/72/61/1313577261.db2.gz BVQNLZYNOAOETK-QWHCGFSZSA-N 0 3 337.313 2.628 20 10 EFCDHN C[C@@H]1CCC[N@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])[C@H]1CO ZINC001237053750 1313577310 /nfs/dbraw/zinc/57/73/10/1313577310.db2.gz PAQADMQJHZZEOV-RISCZKNCSA-N 0 3 333.350 2.926 20 10 EFCDHN C[C@@H]1CCC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])[C@H]1CO ZINC001237053750 1313577312 /nfs/dbraw/zinc/57/73/12/1313577312.db2.gz PAQADMQJHZZEOV-RISCZKNCSA-N 0 3 333.350 2.926 20 10 EFCDHN CC(=O)N1CCO[C@H]2CC[N@@H+](Cc3ccc(C(C)C)cc3[O-])CC[C@@H]21 ZINC001237051044 1313577405 /nfs/dbraw/zinc/57/74/05/1313577405.db2.gz IJLODCJNAMUOSF-ICSRJNTNSA-N 0 3 346.471 2.727 20 10 EFCDHN CC(=O)N1CCO[C@H]2CC[N@H+](Cc3ccc(C(C)C)cc3[O-])CC[C@@H]21 ZINC001237051044 1313577407 /nfs/dbraw/zinc/57/74/07/1313577407.db2.gz IJLODCJNAMUOSF-ICSRJNTNSA-N 0 3 346.471 2.727 20 10 EFCDHN C[C@H]1C[N@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])CCC[C@H]1O ZINC001237053781 1313577823 /nfs/dbraw/zinc/57/78/23/1313577823.db2.gz QHMYEKSRFOBSEP-SMDDNHRTSA-N 0 3 333.350 2.926 20 10 EFCDHN C[C@H]1C[N@@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])CCC[C@H]1O ZINC001237053781 1313577826 /nfs/dbraw/zinc/57/78/26/1313577826.db2.gz QHMYEKSRFOBSEP-SMDDNHRTSA-N 0 3 333.350 2.926 20 10 EFCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@@H+]1CC[C@]2(CCOC2)C1 ZINC001237053972 1313577996 /nfs/dbraw/zinc/57/79/96/1313577996.db2.gz RYNHAWVGJLLCOW-HNNXBMFYSA-N 0 3 331.334 2.946 20 10 EFCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@H+]1CC[C@]2(CCOC2)C1 ZINC001237053972 1313577999 /nfs/dbraw/zinc/57/79/99/1313577999.db2.gz RYNHAWVGJLLCOW-HNNXBMFYSA-N 0 3 331.334 2.946 20 10 EFCDHN [O-]c1cccc(OC(F)(F)F)c1CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC001237110751 1313587584 /nfs/dbraw/zinc/58/75/84/1313587584.db2.gz JTMOZACANVDXQK-GFCCVEGCSA-N 0 3 330.350 2.961 20 10 EFCDHN CC(C)C(=O)N[C@@H]1[C@H]2CN(Cc3cc(C(F)(F)F)ccc3O)C[C@H]21 ZINC001237138451 1313592196 /nfs/dbraw/zinc/59/21/96/1313592196.db2.gz DFPKQTJMGYTRLF-NHAGDIPZSA-N 0 3 342.361 2.613 20 10 EFCDHN CN1C(=O)CC[C@H]2C[N@@H+](Cc3cc(C(F)(F)F)ccc3[O-])CC[C@@H]21 ZINC001237142977 1313592466 /nfs/dbraw/zinc/59/24/66/1313592466.db2.gz KEIVNKSXIGLGBB-FZMZJTMJSA-N 0 3 342.361 2.854 20 10 EFCDHN CN1C(=O)CC[C@H]2C[N@H+](Cc3cc(C(F)(F)F)ccc3[O-])CC[C@@H]21 ZINC001237142977 1313592469 /nfs/dbraw/zinc/59/24/69/1313592469.db2.gz KEIVNKSXIGLGBB-FZMZJTMJSA-N 0 3 342.361 2.854 20 10 EFCDHN COCCOc1ccc(N2CCN(Cc3cccc(N)c3)CC2)cc1 ZINC001237219067 1313608062 /nfs/dbraw/zinc/60/80/62/1313608062.db2.gz HPHPNXDTOONCCZ-UHFFFAOYSA-N 0 3 341.455 2.616 20 10 EFCDHN CC(C)(C)OC(=O)[C@](C)(O)CNCc1ccc(N2CCCCC2)cc1 ZINC000776520504 1299347379 /nfs/dbraw/zinc/34/73/79/1299347379.db2.gz NBCMWQNHSCXBBG-HXUWFJFHSA-N 0 3 348.487 2.859 20 10 EFCDHN Cc1cccc([O-])c1C[N@H+]1C[C@H]2CN(C(=O)c3ccccc3)C[C@H]2C1 ZINC001237486849 1313654619 /nfs/dbraw/zinc/65/46/19/1313654619.db2.gz UYKHHFRHXVUPHF-HDICACEKSA-N 0 3 336.435 2.905 20 10 EFCDHN Cc1cccc([O-])c1C[N@@H+]1C[C@H]2CN(C(=O)c3ccccc3)C[C@H]2C1 ZINC001237486849 1313654622 /nfs/dbraw/zinc/65/46/22/1313654622.db2.gz UYKHHFRHXVUPHF-HDICACEKSA-N 0 3 336.435 2.905 20 10 EFCDHN Cc1cccc([O-])c1C[N@@H+]1C[C@@H]2COC[C@]2(COc2cccnc2)C1 ZINC001237486928 1313654647 /nfs/dbraw/zinc/65/46/47/1313654647.db2.gz VNSUHKJDYKTADK-UZLBHIALSA-N 0 3 340.423 2.623 20 10 EFCDHN Cc1cccc([O-])c1C[N@H+]1C[C@@H]2COC[C@]2(COc2cccnc2)C1 ZINC001237486928 1313654649 /nfs/dbraw/zinc/65/46/49/1313654649.db2.gz VNSUHKJDYKTADK-UZLBHIALSA-N 0 3 340.423 2.623 20 10 EFCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC001237489064 1313654856 /nfs/dbraw/zinc/65/48/56/1313654856.db2.gz UYJQHOQUNOBKIC-XLIONFOSSA-N 0 3 340.423 2.908 20 10 EFCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC001237489064 1313654861 /nfs/dbraw/zinc/65/48/61/1313654861.db2.gz UYJQHOQUNOBKIC-XLIONFOSSA-N 0 3 340.423 2.908 20 10 EFCDHN Cc1cccc(O)c1CN1CCCn2cnc(Cn3cccn3)c2C1 ZINC001237489469 1313655236 /nfs/dbraw/zinc/65/52/36/1313655236.db2.gz YCIBEDRMYALVAX-UHFFFAOYSA-N 0 3 337.427 2.548 20 10 EFCDHN Cc1cccc([O-])c1C[N@@H+]1C[C@@H]2COC[C@]2(COc2ccccn2)C1 ZINC001237488093 1313655256 /nfs/dbraw/zinc/65/52/56/1313655256.db2.gz IXRDHJJPVUKQNN-UZLBHIALSA-N 0 3 340.423 2.623 20 10 EFCDHN Cc1cccc([O-])c1C[N@H+]1C[C@@H]2COC[C@]2(COc2ccccn2)C1 ZINC001237488093 1313655259 /nfs/dbraw/zinc/65/52/59/1313655259.db2.gz IXRDHJJPVUKQNN-UZLBHIALSA-N 0 3 340.423 2.623 20 10 EFCDHN CCOC(=O)[C@H]1Cn2nccc2[C@H](C)N(Cc2c(C)cccc2O)C1 ZINC001237494703 1313655798 /nfs/dbraw/zinc/65/57/98/1313655798.db2.gz KSVBXLCAFSQPDW-LSDHHAIUSA-N 0 3 343.427 2.653 20 10 EFCDHN CN(c1ccccc1)[C@@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000853585827 1300179213 /nfs/dbraw/zinc/17/92/13/1300179213.db2.gz UQFNPPQEJNECFU-APWZRJJASA-N 0 3 340.423 2.529 20 10 EFCDHN CN(c1ccccc1)[C@@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000853585827 1300179219 /nfs/dbraw/zinc/17/92/19/1300179219.db2.gz UQFNPPQEJNECFU-APWZRJJASA-N 0 3 340.423 2.529 20 10 EFCDHN C[C@@]1(O)COCC[N@H+](Cc2cc(-c3ccc(F)cc3)ccc2[O-])C1 ZINC001237640657 1313682357 /nfs/dbraw/zinc/68/23/57/1313682357.db2.gz DLAUQIFMGGWJCZ-IBGZPJMESA-N 0 3 331.387 2.782 20 10 EFCDHN C[C@@]1(O)COCC[N@@H+](Cc2cc(-c3ccc(F)cc3)ccc2[O-])C1 ZINC001237640657 1313682361 /nfs/dbraw/zinc/68/23/61/1313682361.db2.gz DLAUQIFMGGWJCZ-IBGZPJMESA-N 0 3 331.387 2.782 20 10 EFCDHN O=C1NCC[C@@]12CC[N@@H+](Cc1cc(-c3ccc(F)cc3)ccc1[O-])C2 ZINC001237641140 1313682579 /nfs/dbraw/zinc/68/25/79/1313682579.db2.gz MVCIEXMQFKJUDL-FQEVSTJZSA-N 0 3 340.398 2.910 20 10 EFCDHN O=C1NCC[C@@]12CC[N@H+](Cc1cc(-c3ccc(F)cc3)ccc1[O-])C2 ZINC001237641140 1313682581 /nfs/dbraw/zinc/68/25/81/1313682581.db2.gz MVCIEXMQFKJUDL-FQEVSTJZSA-N 0 3 340.398 2.910 20 10 EFCDHN COc1cc(CN2CCC3(CC(F)(F)CO3)CC2)c(O)c(OC)c1 ZINC001237669139 1313688222 /nfs/dbraw/zinc/68/82/22/1313688222.db2.gz IYANBZUXYOVFRL-UHFFFAOYSA-N 0 3 343.370 2.800 20 10 EFCDHN COc1cc(CN2CC[C@](O)(C(F)(F)F)[C@@H](C)C2)c(O)c(OC)c1 ZINC001237670328 1313687968 /nfs/dbraw/zinc/68/79/68/1313687968.db2.gz SRGQKIQRTYGJBF-ZUZCIYMTSA-N 0 3 349.349 2.545 20 10 EFCDHN COc1cc(CN2CCC(Oc3ccncc3)CC2)c(O)c(OC)c1 ZINC001237670168 1313688021 /nfs/dbraw/zinc/68/80/21/1313688021.db2.gz PVERPYQQBHZZDX-UHFFFAOYSA-N 0 3 344.411 2.848 20 10 EFCDHN Cc1cc(O)c(CN2CCN(C)C(C)(C)C2)cc1Br ZINC001237680191 1313689653 /nfs/dbraw/zinc/68/96/53/1313689653.db2.gz AKZGSVNRMYIQQP-UHFFFAOYSA-N 0 3 327.266 2.989 20 10 EFCDHN Cc1cc([O-])c(CN2CCC[C@H]3C[N@@H+](C)C[C@H]32)cc1Br ZINC001237682953 1313690782 /nfs/dbraw/zinc/69/07/82/1313690782.db2.gz VKQIXUMDFAILTQ-SWLSCSKDSA-N 0 3 339.277 2.989 20 10 EFCDHN Cc1cc([O-])c(CN2CCC[C@H]3C[N@H+](C)C[C@H]32)cc1Br ZINC001237682953 1313690784 /nfs/dbraw/zinc/69/07/84/1313690784.db2.gz VKQIXUMDFAILTQ-SWLSCSKDSA-N 0 3 339.277 2.989 20 10 EFCDHN Cc1cc([O-])c(CN2CCC[C@@H]3C[N@@H+](C)C[C@@H]32)cc1Br ZINC001237682948 1313690975 /nfs/dbraw/zinc/69/09/75/1313690975.db2.gz VKQIXUMDFAILTQ-DOMZBBRYSA-N 0 3 339.277 2.989 20 10 EFCDHN Cc1cc([O-])c(CN2CCC[C@@H]3C[N@H+](C)C[C@@H]32)cc1Br ZINC001237682948 1313690979 /nfs/dbraw/zinc/69/09/79/1313690979.db2.gz VKQIXUMDFAILTQ-DOMZBBRYSA-N 0 3 339.277 2.989 20 10 EFCDHN COc1cc(CN(C)CCc2noc(C(C)C)n2)c(O)c(OC)c1 ZINC001237669795 1313688541 /nfs/dbraw/zinc/68/85/41/1313688541.db2.gz OGIRZWQCVMKXCP-UHFFFAOYSA-N 0 3 335.404 2.590 20 10 EFCDHN C[C@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1)C(=O)N1CCCCC1 ZINC000089592565 1300836135 /nfs/dbraw/zinc/83/61/35/1300836135.db2.gz AMQDASATXYAURZ-IRXDYDNUSA-N 0 3 345.487 2.575 20 10 EFCDHN COc1ccc(O)c([C@H](C)NCC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)c1 ZINC000246013186 1300842447 /nfs/dbraw/zinc/84/24/47/1300842447.db2.gz INLORWVWLHROIH-XJIUQZFPSA-N 0 3 334.460 2.992 20 10 EFCDHN Cc1cncnc1O[C@@H]1CCCN(Cc2cc(F)cc(C)c2O)C1 ZINC001238064709 1313754156 /nfs/dbraw/zinc/75/41/56/1313754156.db2.gz APDCAYBBFKTIQC-MRXNPFEDSA-N 0 3 331.391 2.982 20 10 EFCDHN Cc1cnc(O[C@H]2CCCN(Cc3cc(F)cc(C)c3O)C2)nc1 ZINC001238064822 1313754221 /nfs/dbraw/zinc/75/42/21/1313754221.db2.gz CMESIAADHCTMLO-INIZCTEOSA-N 0 3 331.391 2.982 20 10 EFCDHN Cc1cc(F)cc(C[N@@H+]2CC[C@H]3[C@H](CCN3C(=O)C(C)C)C2)c1[O-] ZINC001238063010 1313754579 /nfs/dbraw/zinc/75/45/79/1313754579.db2.gz ZDDIKSQDNPEIDV-PBHICJAKSA-N 0 3 334.435 2.919 20 10 EFCDHN Cc1cc(F)cc(C[N@H+]2CC[C@H]3[C@H](CCN3C(=O)C(C)C)C2)c1[O-] ZINC001238063010 1313754581 /nfs/dbraw/zinc/75/45/81/1313754581.db2.gz ZDDIKSQDNPEIDV-PBHICJAKSA-N 0 3 334.435 2.919 20 10 EFCDHN Cc1cc(O[C@H]2CCCN(Cc3cc(F)cc(C)c3O)C2)ncn1 ZINC001238066819 1313754842 /nfs/dbraw/zinc/75/48/42/1313754842.db2.gz MJBDZQOHACNALI-INIZCTEOSA-N 0 3 331.391 2.982 20 10 EFCDHN COc1cc(C)nc(O[C@@H]2CCN(Cc3cc(F)cc(C)c3O)C2)n1 ZINC001238066250 1313754914 /nfs/dbraw/zinc/75/49/14/1313754914.db2.gz KUQGOHVXMBXQFI-OAHLLOKOSA-N 0 3 347.390 2.600 20 10 EFCDHN COc1ccnc(O[C@H]2CCCN(Cc3cc(F)cc(C)c3O)C2)n1 ZINC001238067365 1313754966 /nfs/dbraw/zinc/75/49/66/1313754966.db2.gz SSOAEJCYNHCBBV-HNNXBMFYSA-N 0 3 347.390 2.682 20 10 EFCDHN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N(C)CCN(C)C)ccc1C ZINC000859808941 1301585634 /nfs/dbraw/zinc/58/56/34/1301585634.db2.gz YAHMLHNWLKQLAP-UHFFFAOYSA-N 0 3 341.455 2.849 20 10 EFCDHN O=S(=O)(N[C@@H]1CNC[C@H]1F)c1ccc(/N=N/c2ccccc2)cc1 ZINC001238258757 1313791925 /nfs/dbraw/zinc/79/19/25/1313791925.db2.gz FYUSSLHDMASNTM-KZLHXAFESA-N 0 3 348.403 2.690 20 10 EFCDHN Cc1nc([C@@H]2CCCN(Cc3cc(F)c(N(C)C)cc3F)C2)n[nH]1 ZINC000862253113 1302323443 /nfs/dbraw/zinc/32/34/43/1302323443.db2.gz IVHOXQNAJKPQTC-GFCCVEGCSA-N 0 3 335.402 2.837 20 10 EFCDHN Cc1n[nH]c([C@@H]2CCCN(Cc3cc(F)c(N(C)C)cc3F)C2)n1 ZINC000862253113 1302323455 /nfs/dbraw/zinc/32/34/55/1302323455.db2.gz IVHOXQNAJKPQTC-GFCCVEGCSA-N 0 3 335.402 2.837 20 10 EFCDHN Cc1nnc([C@@H]2CCCN(Cc3cc(F)c(N(C)C)cc3F)C2)[nH]1 ZINC000862253113 1302323469 /nfs/dbraw/zinc/32/34/69/1302323469.db2.gz IVHOXQNAJKPQTC-GFCCVEGCSA-N 0 3 335.402 2.837 20 10 EFCDHN C[C@H]1CN(Cc2cc3c(cc2O)OCO3)CC[C@@H]1C(=O)OC(C)(C)C ZINC000862485335 1302398806 /nfs/dbraw/zinc/39/88/06/1302398806.db2.gz KYMOXAARLDGVMR-JSGCOSHPSA-N 0 3 349.427 2.921 20 10 EFCDHN Cc1ccc(O)c(CNC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)c1 ZINC000862758622 1302451725 /nfs/dbraw/zinc/45/17/25/1302451725.db2.gz DTWQJOAHFQRNDF-QGZVFWFLSA-N 0 3 339.439 2.624 20 10 EFCDHN O=C(N1CC(F)(C2CC2)C1)C12CC([NH2+]Cc3cc(F)ccc3[O-])(C1)C2 ZINC001278256233 1313845458 /nfs/dbraw/zinc/84/54/58/1313845458.db2.gz DOACHQBXLPDMMP-UHFFFAOYSA-N 0 3 348.393 2.504 20 10 EFCDHN CC(C)(C)NC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC001278254826 1313843778 /nfs/dbraw/zinc/84/37/78/1313843778.db2.gz JHJVFQAJKBIQTE-FCLUMBPUSA-N 0 3 334.435 2.950 20 10 EFCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCO[C@@]4(CCO[C@@H]4C)C3)c2c1 ZINC000794661422 1302884071 /nfs/dbraw/zinc/88/40/71/1302884071.db2.gz HLIYIRWIEFIXCC-VLIAUNLRSA-N 0 3 343.423 2.934 20 10 EFCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCO[C@@]4(CCO[C@@H]4C)C3)c2c1 ZINC000794661422 1302884078 /nfs/dbraw/zinc/88/40/78/1302884078.db2.gz HLIYIRWIEFIXCC-VLIAUNLRSA-N 0 3 343.423 2.934 20 10 EFCDHN c1cc(CNCc2ccc3c(c2)CCO3)cc(N2CCSCC2)n1 ZINC000865720448 1303377699 /nfs/dbraw/zinc/37/76/99/1303377699.db2.gz AGHFYACKGOYARL-UHFFFAOYSA-N 0 3 341.480 2.860 20 10 EFCDHN CN(C)c1ccc(CNCc2ccnc(N3CCSCC3)c2)cc1 ZINC000865720870 1303377779 /nfs/dbraw/zinc/37/77/79/1303377779.db2.gz JXXJTXUALPCVHX-UHFFFAOYSA-N 0 3 342.512 2.991 20 10 EFCDHN COc1cccc([O-])c1C[NH2+]C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1 ZINC000865793135 1303403086 /nfs/dbraw/zinc/40/30/86/1303403086.db2.gz VWUMFOIRTNTNAC-JOCQHMNTSA-N 0 3 336.432 2.794 20 10 EFCDHN COc1cccc([O-])c1C[NH2+]CCCNC(=O)/C=C\c1ccccc1 ZINC000800313013 1307690972 /nfs/dbraw/zinc/69/09/72/1307690972.db2.gz ZVYKSPKNMXSZPG-QXMHVHEDSA-N 0 3 340.423 2.710 20 10 EFCDHN C[C@@H](F)CCN1CCC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001009672608 1308604400 /nfs/dbraw/zinc/60/44/00/1308604400.db2.gz MIPLOQZOQNIZBU-DOMZBBRYSA-N 0 3 349.410 2.791 20 10 EFCDHN COc1ccc(O)c(CNCc2c(C)nn(-c3ccccn3)c2C)c1 ZINC000801721936 1310798721 /nfs/dbraw/zinc/79/87/21/1310798721.db2.gz WQTJEOOMSLBGQB-UHFFFAOYSA-N 0 3 338.411 2.888 20 10 EFCDHN C[C@@H]1CC[C@H](C)N1CC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000752151554 1311148081 /nfs/dbraw/zinc/14/80/81/1311148081.db2.gz JTJPEBIABBUAMI-SOLBZPMBSA-N 0 3 346.471 2.773 20 10 EFCDHN CCN(CC)c1ccc(CN2CC[C@@H]3C[C@@]32C(=O)N2CC=CC2)cc1 ZINC001276966762 1311380719 /nfs/dbraw/zinc/38/07/19/1311380719.db2.gz CTYUUDIYQWZZBD-NQIIRXRSSA-N 0 3 339.483 2.896 20 10 EFCDHN COc1ccc(N2CC[C@H]3CN(Cc4ccc[nH]4)C[C@H]32)c(OC)c1 ZINC001276994941 1311431655 /nfs/dbraw/zinc/43/16/55/1311431655.db2.gz UTVNDSCLLWVTOH-KBXCAEBGSA-N 0 3 327.428 2.743 20 10 EFCDHN CCOC(=O)[C@@H]1CC[N@H+](Cc2c([O-])ccc3ccc(OC)cc32)C1 ZINC000902419873 1311730159 /nfs/dbraw/zinc/73/01/59/1311730159.db2.gz UMTOLAUYXVTSCY-CQSZACIVSA-N 0 3 329.396 2.939 20 10 EFCDHN CCOC(=O)[C@@H]1CC[N@@H+](Cc2c([O-])ccc3ccc(OC)cc32)C1 ZINC000902419873 1311730161 /nfs/dbraw/zinc/73/01/61/1311730161.db2.gz UMTOLAUYXVTSCY-CQSZACIVSA-N 0 3 329.396 2.939 20 10 EFCDHN Cc1cc(C)c(CNc2cccc(N3CCN(C)CC3)n2)c(O)c1 ZINC001160809840 1311786186 /nfs/dbraw/zinc/78/61/86/1311786186.db2.gz BEDBXHWUWJMQRW-UHFFFAOYSA-N 0 3 326.444 2.768 20 10 EFCDHN CN1CCO[C@H](COC2=CC(=O)C=CC2=N[N-]c2cccc[nH+]2)C1 ZINC001227493494 1311812590 /nfs/dbraw/zinc/81/25/90/1311812590.db2.gz ZRQNNIFPLSDETP-YISVQYQQSA-N 0 3 328.372 2.912 20 10 EFCDHN CN(C)C(=O)[C@H]1[C@H]2CC[C@@H]1CN(Cc1ccc3c(c1)CCCN3C)C2 ZINC001277256659 1311880589 /nfs/dbraw/zinc/88/05/89/1311880589.db2.gz MTIZEIWEWJRPEE-OPVJXMOQSA-N 0 3 341.499 2.615 20 10 EFCDHN COc1ccc(C[NH2+]Cc2c(C)nn(-c3ccccn3)c2C)c([O-])c1 ZINC000802651533 1311886225 /nfs/dbraw/zinc/88/62/25/1311886225.db2.gz QGWHSRULFBQQTH-UHFFFAOYSA-N 0 3 338.411 2.888 20 10 EFCDHN CCN(CC)c1ccc(CN2CCC3(C[C@@H]3C(N)=O)CC2)c(OC)c1 ZINC001277295238 1311939293 /nfs/dbraw/zinc/93/92/93/1311939293.db2.gz GHWAYHSDYMIRRR-QGZVFWFLSA-N 0 3 345.487 2.629 20 10 EFCDHN C[N@@H+]1C[C@@H]2COC[C@H](C1)N2Cc1cc(Cl)c(C(C)(C)C)cc1[O-] ZINC001277409063 1312122933 /nfs/dbraw/zinc/12/29/33/1312122933.db2.gz CGLLNZJUTUABML-OKILXGFUSA-N 0 3 338.879 2.858 20 10 EFCDHN C[N@H+]1C[C@@H]2COC[C@H](C1)N2Cc1cc(Cl)c(C(C)(C)C)cc1[O-] ZINC001277409063 1312122935 /nfs/dbraw/zinc/12/29/35/1312122935.db2.gz CGLLNZJUTUABML-OKILXGFUSA-N 0 3 338.879 2.858 20 10 EFCDHN O=C([C@H]1CCC[C@@]12CC[N@@H+](Cc1ccccc1[O-])C2)N1CCCCO1 ZINC001277445988 1312188818 /nfs/dbraw/zinc/18/88/18/1312188818.db2.gz KLFYSXFYWPSKPR-XLIONFOSSA-N 0 3 344.455 2.938 20 10 EFCDHN O=C([C@H]1CCC[C@@]12CC[N@H+](Cc1ccccc1[O-])C2)N1CCCCO1 ZINC001277445988 1312188820 /nfs/dbraw/zinc/18/88/20/1312188820.db2.gz KLFYSXFYWPSKPR-XLIONFOSSA-N 0 3 344.455 2.938 20 10 EFCDHN Cc1ccc(C)n1-c1ccc(NCc2nnn3c2CNCCC3)cc1 ZINC001162972218 1312216040 /nfs/dbraw/zinc/21/60/40/1312216040.db2.gz RVHDLKFJAOJBQK-UHFFFAOYSA-N 0 3 336.443 2.791 20 10 EFCDHN Cc1cc(F)cc(CN2C[C@@H]3OCCN(C4CCCC4)[C@H]3C2)c1O ZINC001277519663 1312499625 /nfs/dbraw/zinc/49/96/25/1312499625.db2.gz GWMCSNXYDVYHDG-ROUUACIJSA-N 0 3 334.435 2.667 20 10 EFCDHN Cc1cc(F)cc(CN2C[C@@H]3CN(C4CCCC4)C[C@H](C2)O3)c1O ZINC001277519789 1312499976 /nfs/dbraw/zinc/49/99/76/1312499976.db2.gz LCYOBNPEYKNTST-HDICACEKSA-N 0 3 334.435 2.667 20 10 EFCDHN C[C@]1(O)COCC[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC001231468608 1312505619 /nfs/dbraw/zinc/50/56/19/1312505619.db2.gz ZONNXEYGRUQVTJ-HXUWFJFHSA-N 0 3 343.423 2.554 20 10 EFCDHN C[C@]1(O)COCC[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC001231468608 1312505622 /nfs/dbraw/zinc/50/56/22/1312505622.db2.gz ZONNXEYGRUQVTJ-HXUWFJFHSA-N 0 3 343.423 2.554 20 10 EFCDHN C[C@]1(O)COCCN(Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC001231468608 1312505624 /nfs/dbraw/zinc/50/56/24/1312505624.db2.gz ZONNXEYGRUQVTJ-HXUWFJFHSA-N 0 3 343.423 2.554 20 10 EFCDHN COC(=O)[C@@H]1COCCC12C[NH+](Cc1c([O-])ccc3ccccc31)C2 ZINC001231591240 1312528464 /nfs/dbraw/zinc/52/84/64/1312528464.db2.gz ZJWCIJQXSGIBDN-KRWDZBQOSA-N 0 3 341.407 2.557 20 10 EFCDHN COc1cc(CN2CCC(O)(c3ccccc3F)CC2)c(O)cc1O ZINC001231635467 1312535936 /nfs/dbraw/zinc/53/59/36/1312535936.db2.gz CUJOADGCZLGJNE-UHFFFAOYSA-N 0 3 347.386 2.729 20 10 EFCDHN COC(=O)c1cccc(CN(C)Cc2cc(OC)c(O)cc2O)c1 ZINC001231638428 1312537296 /nfs/dbraw/zinc/53/72/96/1312537296.db2.gz AYEUDMQGGHSNLR-UHFFFAOYSA-N 0 3 331.368 2.525 20 10 EFCDHN Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)[C@H]3C(=O)NCC(F)F)c([O-])c1 ZINC001277568284 1312568205 /nfs/dbraw/zinc/56/82/05/1312568205.db2.gz NKIIYBZHSGTNFE-XOIINTDNSA-N 0 3 338.398 2.540 20 10 EFCDHN Cc1ccc(C[N@H+]2C[C@@H]3CC[C@H](C2)[C@H]3C(=O)NCC(F)F)c([O-])c1 ZINC001277568284 1312568208 /nfs/dbraw/zinc/56/82/08/1312568208.db2.gz NKIIYBZHSGTNFE-XOIINTDNSA-N 0 3 338.398 2.540 20 10 EFCDHN CCOC[C@H]1CN(Cc2c(C)cc(C)cc2O)Cc2cn(C)nc21 ZINC001231844206 1312573336 /nfs/dbraw/zinc/57/33/36/1312573336.db2.gz JAFQNSUNTXRJFD-MRXNPFEDSA-N 0 3 329.444 2.878 20 10 EFCDHN Cc1cc(C)c(CN2CCN(c3ccc(Cl)nn3)CC2)c(O)c1 ZINC001231846113 1312573422 /nfs/dbraw/zinc/57/34/22/1312573422.db2.gz AZWJNMGZVZHHHS-UHFFFAOYSA-N 0 3 332.835 2.775 20 10 EFCDHN Cc1cc(C)c(CN2CCCN(C(=O)c3ccco3)CC2)c(O)c1 ZINC001231845631 1312573597 /nfs/dbraw/zinc/57/35/97/1312573597.db2.gz DUHCYRLJTXITKU-UHFFFAOYSA-N 0 3 328.412 2.950 20 10 EFCDHN COCCN1CCN(Cc2c(C)cc(C)cc2O)Cc2cccnc21 ZINC001231845292 1312573699 /nfs/dbraw/zinc/57/36/99/1312573699.db2.gz XZSZTSUHYYTNOG-UHFFFAOYSA-N 0 3 341.455 2.873 20 10 EFCDHN CCC(=O)N(C)C1CCN(Cc2ccc(N(C)C)cc2OC)CC1 ZINC001231854630 1312575396 /nfs/dbraw/zinc/57/53/96/1312575396.db2.gz GOUNFRYTHPZBJK-UHFFFAOYSA-N 0 3 333.476 2.594 20 10 EFCDHN COc1cc(N(C)C)ccc1CN1CC[C@@H](Oc2ccncc2)C1 ZINC001231855379 1312575517 /nfs/dbraw/zinc/57/55/17/1312575517.db2.gz RLGIBYFXZUYDLD-GOSISDBHSA-N 0 3 327.428 2.810 20 10 EFCDHN CC[NH+](CC)C[C@H]1CN(Cc2cc(Cl)c(C)cc2[O-])CCO1 ZINC001231871212 1312578417 /nfs/dbraw/zinc/57/84/17/1312578417.db2.gz FWZNBSYYPMQFMY-HNNXBMFYSA-N 0 3 326.868 2.897 20 10 EFCDHN C[C@@H]1CN(Cc2ccc(N3CCOCC3)c(Cl)c2)CC[C@]1(C)O ZINC001232194568 1312646111 /nfs/dbraw/zinc/64/61/11/1312646111.db2.gz JXPCRFOOITZGRZ-KDOFPFPSSA-N 0 3 338.879 2.769 20 10 EFCDHN Clc1cc(CN2CC[C@]3(CCOC3)C2)ccc1N1CCOCC1 ZINC001232194230 1312646143 /nfs/dbraw/zinc/64/61/43/1312646143.db2.gz FRMKNYLWLPOOAQ-SFHVURJKSA-N 0 3 336.863 2.789 20 10 EFCDHN C[C@@H]1CCN(Cc2ccc(N3CCOCC3)c(Cl)c2)CC[C@H]1O ZINC001232195192 1312646182 /nfs/dbraw/zinc/64/61/82/1312646182.db2.gz RIRPGZZGIAADPC-RDTXWAMCSA-N 0 3 338.879 2.769 20 10 EFCDHN C[C@@H]1CN(C)[C@@H](C)CN1Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001232194802 1312646277 /nfs/dbraw/zinc/64/62/77/1312646277.db2.gz MTGFWXBVLMIPBM-LSDHHAIUSA-N 0 3 337.895 2.701 20 10 EFCDHN C[C@H]1CN(Cc2ccc(N3CCOCC3)c(Cl)c2)CC[C@@]1(C)O ZINC001232194567 1312646457 /nfs/dbraw/zinc/64/64/57/1312646457.db2.gz JXPCRFOOITZGRZ-KBXCAEBGSA-N 0 3 338.879 2.769 20 10 EFCDHN Cc1ccc(C)n1-c1ccc(-c2noc([C@@]34CN[C@@H](CO3)C4)n2)cc1 ZINC001247948285 1314872281 /nfs/dbraw/zinc/87/22/81/1314872281.db2.gz XAKWRLGPHIQZNT-DNVCBOLYSA-N 0 3 336.395 2.732 20 10 EFCDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@H](Oc3ccccc3)C2)c([O-])c1 ZINC001249201119 1315032815 /nfs/dbraw/zinc/03/28/15/1315032815.db2.gz GHORJVBKQCPTBD-SFHVURJKSA-N 0 3 341.407 2.761 20 10 EFCDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@H](Oc3ccccc3)C2)c([O-])c1 ZINC001249201119 1315032818 /nfs/dbraw/zinc/03/28/18/1315032818.db2.gz GHORJVBKQCPTBD-SFHVURJKSA-N 0 3 341.407 2.761 20 10 EFCDHN COC(=O)Cc1ccc(C[N@H+](C)Cc2cccc(OC)c2)c([O-])c1 ZINC001249201269 1315033291 /nfs/dbraw/zinc/03/32/91/1315033291.db2.gz MJRQTLLDECSHGS-UHFFFAOYSA-N 0 3 329.396 2.748 20 10 EFCDHN COC(=O)Cc1ccc(C[N@@H+](C)Cc2cccc(OC)c2)c([O-])c1 ZINC001249201269 1315033294 /nfs/dbraw/zinc/03/32/94/1315033294.db2.gz MJRQTLLDECSHGS-UHFFFAOYSA-N 0 3 329.396 2.748 20 10 EFCDHN COC(=O)Cc1ccc(C[N@H+](C)CCC(=O)c2cccs2)c([O-])c1 ZINC001249215255 1315033491 /nfs/dbraw/zinc/03/34/91/1315033491.db2.gz YABBDZRPQTUVSO-UHFFFAOYSA-N 0 3 347.436 2.874 20 10 EFCDHN COC(=O)Cc1ccc(C[N@@H+](C)CCC(=O)c2cccs2)c([O-])c1 ZINC001249215255 1315033495 /nfs/dbraw/zinc/03/34/95/1315033495.db2.gz YABBDZRPQTUVSO-UHFFFAOYSA-N 0 3 347.436 2.874 20 10 EFCDHN COC(=O)Cc1ccc(CN2CCOC3(CCCCC3)C2)c(O)c1 ZINC001249214662 1315033937 /nfs/dbraw/zinc/03/39/37/1315033937.db2.gz PLOYVSWGTCRNDG-UHFFFAOYSA-N 0 3 333.428 2.643 20 10 EFCDHN COC(=O)Cc1ccc(C[N@@H+]2CCOC3(CCCCC3)C2)c([O-])c1 ZINC001249214662 1315033940 /nfs/dbraw/zinc/03/39/40/1315033940.db2.gz PLOYVSWGTCRNDG-UHFFFAOYSA-N 0 3 333.428 2.643 20 10 EFCDHN COC(=O)Cc1ccc(C[N@H+]2CCOC3(CCCCC3)C2)c([O-])c1 ZINC001249214662 1315033943 /nfs/dbraw/zinc/03/39/43/1315033943.db2.gz PLOYVSWGTCRNDG-UHFFFAOYSA-N 0 3 333.428 2.643 20 10 EFCDHN COC(=O)Cc1ccc(C[NH+]2CCC3(CCOC3(C)C)CC2)c([O-])c1 ZINC001249216534 1315033965 /nfs/dbraw/zinc/03/39/65/1315033965.db2.gz CRQMCUREODIJSX-UHFFFAOYSA-N 0 3 347.455 2.889 20 10 EFCDHN COC(=O)N1CCCN(Cc2ccc3c(c2O)C=CC(C)(C)O3)CC1 ZINC001249224014 1315034594 /nfs/dbraw/zinc/03/45/94/1315034594.db2.gz QXWSQGRRPHHVAD-UHFFFAOYSA-N 0 3 346.427 2.851 20 10 EFCDHN Cc1nc(C)c(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)s1 ZINC000038635181 1315039304 /nfs/dbraw/zinc/03/93/04/1315039304.db2.gz CAIFTJZJTBREOX-INIZCTEOSA-N 0 3 346.500 2.859 20 10 EFCDHN CCOC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3ccc4c(c3[O-])C=CC(C)(C)O4)C[C@@H]21 ZINC001249252717 1315040095 /nfs/dbraw/zinc/04/00/95/1315040095.db2.gz RTWCJSYWPBGRSJ-QLPKVWCKSA-N 0 3 343.423 2.817 20 10 EFCDHN CCOC(=O)[C@H]1[C@@H]2C[N@H+](Cc3ccc4c(c3[O-])C=CC(C)(C)O4)C[C@@H]21 ZINC001249252717 1315040099 /nfs/dbraw/zinc/04/00/99/1315040099.db2.gz RTWCJSYWPBGRSJ-QLPKVWCKSA-N 0 3 343.423 2.817 20 10 EFCDHN CC1(C)C=Cc2c([O-])c(C[N@@H+]3CCC(=O)N4CCC[C@@H]4C3)ccc2O1 ZINC001249258828 1315040885 /nfs/dbraw/zinc/04/08/85/1315040885.db2.gz MTEOWNSCSWEYTP-OAHLLOKOSA-N 0 3 342.439 2.773 20 10 EFCDHN CC1(C)C=Cc2c([O-])c(C[N@H+]3CCC(=O)N4CCC[C@@H]4C3)ccc2O1 ZINC001249258828 1315040887 /nfs/dbraw/zinc/04/08/87/1315040887.db2.gz MTEOWNSCSWEYTP-OAHLLOKOSA-N 0 3 342.439 2.773 20 10 EFCDHN COc1ccc(-c2noc(C[C@@H]([NH3+])c3ccccc3[O-])n2)cc1F ZINC001249339586 1315055900 /nfs/dbraw/zinc/05/59/00/1315055900.db2.gz MCEJRFJROOJYEO-CYBMUJFWSA-N 0 3 329.331 2.832 20 10 EFCDHN Cn1ncc2ccc(-c3noc(C[C@@H]([NH3+])c4ccccc4[O-])n3)cc21 ZINC001249339596 1315056490 /nfs/dbraw/zinc/05/64/90/1315056490.db2.gz MUEKIFFVKGUJTA-CQSZACIVSA-N 0 3 335.367 2.571 20 10 EFCDHN C[NH2+][C@H]1C[C@@H](Oc2cc(C)cc3c2C(=O)c2c([O-])cccc2C3=O)C1 ZINC001217957161 1315125328 /nfs/dbraw/zinc/12/53/28/1315125328.db2.gz BPVQHNQMRQWLSC-TXEJJXNPSA-N 0 3 337.375 2.605 20 10 EFCDHN O=C1c2cccc(O[C@@H]3CCCC[NH2+]C3)c2C(=O)c2cccc([O-])c21 ZINC001217969613 1315126634 /nfs/dbraw/zinc/12/66/34/1315126634.db2.gz ACMIAYOSPNOKNR-GFCCVEGCSA-N 0 3 337.375 2.689 20 10 EFCDHN C[C@@H]1CC[NH2+]C[C@H]1Oc1cccc2c1C(=O)c1c([O-])cccc1C2=O ZINC001218044183 1315138121 /nfs/dbraw/zinc/13/81/21/1315138121.db2.gz QPCXTDQBEHAXLU-BDJLRTHQSA-N 0 3 337.375 2.544 20 10 EFCDHN O=C1c2ccccc2C(=O)c2c(O[C@H]3CCNC[C@@H]3F)cccc21 ZINC001218068855 1315142622 /nfs/dbraw/zinc/14/26/22/1315142622.db2.gz XXWQJISTZZHYQM-GJZGRUSLSA-N 0 3 325.339 2.541 20 10 EFCDHN Cc1cc(O[C@H]2C[C@H]3C[C@@H]2C[NH2+]3)c2c(c1)C(=O)c1cccc([O-])c1C2=O ZINC001218143419 1315154514 /nfs/dbraw/zinc/15/45/14/1315154514.db2.gz PIURDTVYADRCRO-HSMVNMDESA-N 0 3 349.386 2.605 20 10 EFCDHN COc1c(C)c(O[C@H]2CN[C@H]2C)cc2c1C(=O)c1ccccc1C2=O ZINC001218384288 1315187199 /nfs/dbraw/zinc/18/71/99/1315187199.db2.gz IZVRELUVYUGIEL-ZBEGNZNMSA-N 0 3 337.375 2.518 20 10 EFCDHN COc1c(C)c(O[C@@H]2CN[C@H]2C)cc2c1C(=O)c1ccccc1C2=O ZINC001218384287 1315187341 /nfs/dbraw/zinc/18/73/41/1315187341.db2.gz IZVRELUVYUGIEL-MEDUHNTESA-N 0 3 337.375 2.518 20 10 EFCDHN C[C@H]1CC[C@@H](Oc2cccc3c2C(=O)c2c([O-])cccc2C3=O)C[NH2+]1 ZINC001218392727 1315188734 /nfs/dbraw/zinc/18/87/34/1315188734.db2.gz LEZVFOPTUCNWSK-NWDGAFQWSA-N 0 3 337.375 2.687 20 10 EFCDHN O=C1c2cccc(O[C@@H]3CC[C@@H]4C[NH2+]C[C@@H]34)c2C(=O)c2cccc([O-])c21 ZINC001218458417 1315199918 /nfs/dbraw/zinc/19/99/18/1315199918.db2.gz AWMOHIDQQYEQBZ-DJSGYFEHSA-N 0 3 349.386 2.544 20 10 EFCDHN Cc1cc(O[C@@H]2C[C@H]3C[NH2+][C@@H]2C3)c2c(c1)C(=O)c1cccc([O-])c1C2=O ZINC001218491785 1315204849 /nfs/dbraw/zinc/20/48/49/1315204849.db2.gz PAEPXGUUXGOGNZ-SGIREYDYSA-N 0 3 349.386 2.605 20 10 EFCDHN CC(C)c1ccc(OC[C@H](O)C[NH2+]Cc2ccc(O)cc2[O-])cc1 ZINC001250777800 1315262912 /nfs/dbraw/zinc/26/29/12/1315262912.db2.gz NVMMTHVMTKMYPN-QGZVFWFLSA-N 0 3 331.412 2.751 20 10 EFCDHN COc1cc(C)c(C[N@@H+]2CC[C@H]3CN(Cc4ccc[nH]4)C[C@H]32)c([O-])c1 ZINC001276806959 1315334193 /nfs/dbraw/zinc/33/41/93/1315334193.db2.gz WJDDIVRILSWEMX-HNAYVOBHSA-N 0 3 341.455 2.744 20 10 EFCDHN COc1cc(C)c(C[N@H+]2CC[C@H]3CN(Cc4ccc[nH]4)C[C@H]32)c([O-])c1 ZINC001276806959 1315334196 /nfs/dbraw/zinc/33/41/96/1315334196.db2.gz WJDDIVRILSWEMX-HNAYVOBHSA-N 0 3 341.455 2.744 20 10 EFCDHN CC(C)C[C@@](C)([NH3+])C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001220212758 1315385593 /nfs/dbraw/zinc/38/55/93/1315385593.db2.gz VHYKZLHMVNQEPQ-QGZVFWFLSA-N 0 3 335.835 2.974 20 10 EFCDHN C[NH2+][C@@H](CC(C)C)C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001220212506 1315385735 /nfs/dbraw/zinc/38/57/35/1315385735.db2.gz MFEIFUDRKSWUHJ-AWEZNQCLSA-N 0 3 335.835 2.844 20 10 EFCDHN CC(C)c1ccc(C[N@@H+]2CC[C@H]3CN(Cc4cn[nH]c4)C[C@H]32)c([O-])c1 ZINC001276814645 1315429200 /nfs/dbraw/zinc/42/92/00/1315429200.db2.gz IZOCTPZKXJRGAF-PKOBYXMFSA-N 0 3 340.471 2.945 20 10 EFCDHN CC(C)c1ccc(C[N@H+]2CC[C@H]3CN(Cc4cn[nH]c4)C[C@H]32)c([O-])c1 ZINC001276814645 1315429204 /nfs/dbraw/zinc/42/92/04/1315429204.db2.gz IZOCTPZKXJRGAF-PKOBYXMFSA-N 0 3 340.471 2.945 20 10 EFCDHN Oc1ccc(CNC[C@H](O)COc2cccc3ccccc32)cc1O ZINC001252397868 1315446127 /nfs/dbraw/zinc/44/61/27/1315446127.db2.gz CMAOJIVJECRXHJ-INIZCTEOSA-N 0 3 339.391 2.781 20 10 EFCDHN CC(C)[C@@H](O)CN1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001253768752 1315636951 /nfs/dbraw/zinc/63/69/51/1315636951.db2.gz QFUYLTPJBVETKX-HNNXBMFYSA-N 0 3 332.366 2.724 20 10 EFCDHN CC(C)[C@H](O)CN1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001253768753 1315637064 /nfs/dbraw/zinc/63/70/64/1315637064.db2.gz QFUYLTPJBVETKX-OAHLLOKOSA-N 0 3 332.366 2.724 20 10 EFCDHN CC(C)Oc1ccccc1OC[C@H](O)C[NH2+]Cc1ccccc1[O-] ZINC001254014550 1315665265 /nfs/dbraw/zinc/66/52/65/1315665265.db2.gz SZUZMCOSAZWUHT-MRXNPFEDSA-N 0 3 331.412 2.709 20 10 EFCDHN O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3ccc(O)cc3[O-])CC2)cc1 ZINC001254469032 1315706769 /nfs/dbraw/zinc/70/67/69/1315706769.db2.gz UPOLJHPFPCUYNT-UHFFFAOYSA-N 0 3 343.383 2.765 20 10 EFCDHN COc1ccc(N2CCN(C3CCC(OC)CC3)CC2)c(OC)c1 ZINC001255464726 1315827550 /nfs/dbraw/zinc/82/75/50/1315827550.db2.gz NDRJPOZRTJDVOJ-UHFFFAOYSA-N 0 3 334.460 2.783 20 10 EFCDHN C[C@H]1CC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CN1CCCF ZINC001072102269 1316357980 /nfs/dbraw/zinc/35/79/80/1316357980.db2.gz NXGTWICFYUMUOM-SWLSCSKDSA-N 0 3 349.410 2.791 20 10 EFCDHN Cc1c(CN2CC3(CN(CCn4ccnc4)C3)C2)c2ccccc2n1C ZINC001279539377 1317289996 /nfs/dbraw/zinc/28/99/96/1317289996.db2.gz CSORZGQCAFISMR-UHFFFAOYSA-N 0 3 349.482 2.501 20 10 EFCDHN Cc1nccc(NCc2ccc(N3CCN(C)CC3)c(F)c2)c1Cl ZINC001320855814 1329311095 /nfs/dbraw/zinc/31/10/95/1329311095.db2.gz JAGJQTIRKXTVQV-UHFFFAOYSA-N 0 3 348.853 2.968 20 10 EFCDHN CS[C@@H]1CC[C@@H](N(C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC001322156269 1329433583 /nfs/dbraw/zinc/43/35/83/1329433583.db2.gz BXYHRDDOPLNOOS-QZTJIDSGSA-N 0 3 349.544 2.927 20 10 EFCDHN CCOc1ccc(O)c(CN2CCCN(Cc3cc(C)on3)CC2)c1 ZINC001324743872 1329655403 /nfs/dbraw/zinc/65/54/03/1329655403.db2.gz NWSUNWJYMDTKNX-UHFFFAOYSA-N 0 3 345.443 2.795 20 10 EFCDHN CNC(=O)OC[C@H]1CCCCN1Cc1ccc(N2CCCC2)cc1 ZINC001325737941 1329709446 /nfs/dbraw/zinc/70/94/46/1329709446.db2.gz NLDVDLBRAINRCJ-GOSISDBHSA-N 0 3 331.460 2.997 20 10 EFCDHN Cc1ccc(CN(C)Cc2ccc(N3CCN(C)CC3)c(F)c2)nc1 ZINC001326219121 1329739424 /nfs/dbraw/zinc/73/94/24/1329739424.db2.gz LGSUWLAIUADVMO-UHFFFAOYSA-N 0 3 342.462 2.913 20 10 EFCDHN CCN1CCC[C@@H]1CNC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC001328579096 1330605204 /nfs/dbraw/zinc/60/52/04/1330605204.db2.gz XNJYQGGKWOWPFY-OAHLLOKOSA-N 0 3 344.484 2.530 20 10 EFCDHN CN1CCN(c2ccc(CN3CCC(C(C)(C)O)CC3)cc2F)CC1 ZINC001331083861 1330793246 /nfs/dbraw/zinc/79/32/46/1330793246.db2.gz SDYLMOYZYPQUFH-UHFFFAOYSA-N 0 3 349.494 2.560 20 10 EFCDHN CCCN(C(=O)NCc1ccc(N2CC=CC2)cc1)[C@H]1CCN(C)C1 ZINC001332086602 1330915859 /nfs/dbraw/zinc/91/58/59/1330915859.db2.gz BPSMXFHNPWRIPU-IBGZPJMESA-N 0 3 342.487 2.689 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=O)N[C@@H]2CC=CCC2)N(C)C)cc1 ZINC001334186911 1331262805 /nfs/dbraw/zinc/26/28/05/1331262805.db2.gz KBYKBNMBXFZAPM-SJLPKXTDSA-N 0 3 330.476 2.763 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)N[C@@H]2CC=CCC2)N(C)C)cc1 ZINC001334186905 1331263199 /nfs/dbraw/zinc/26/31/99/1331263199.db2.gz KBYKBNMBXFZAPM-AEFFLSMTSA-N 0 3 330.476 2.763 20 10 EFCDHN Nc1ccc(CN2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)cc1 ZINC001334774026 1331305335 /nfs/dbraw/zinc/30/53/35/1331305335.db2.gz CJPBVUZAGRVGBA-KRWDZBQOSA-N 0 3 328.391 2.804 20 10 EFCDHN CCc1ccc([C@@H](CNC(=O)NCc2ccc(N)cc2)N(C)C)cc1 ZINC001335912641 1331416318 /nfs/dbraw/zinc/41/63/18/1331416318.db2.gz WPMGFLAXNFLWCZ-LJQANCHMSA-N 0 3 340.471 2.933 20 10 EFCDHN Cc1cc(C(=O)NC2CCN(Cc3ccc(N)cc3)CC2)c(C)o1 ZINC001336116622 1331436781 /nfs/dbraw/zinc/43/67/81/1331436781.db2.gz HSOITAONHYOQFJ-UHFFFAOYSA-N 0 3 327.428 2.873 20 10 EFCDHN C[C@@H]([NH2+]CCN1C(=O)COc2ccccc21)c1cc(F)ccc1[O-] ZINC001337796459 1331599736 /nfs/dbraw/zinc/59/97/36/1331599736.db2.gz UUGWIHJEUOBJFX-GFCCVEGCSA-N 0 3 330.359 2.608 20 10 EFCDHN C[C@H]1[C@H](NC(=O)NCc2ccc(N)cc2)CCN1Cc1ccccc1 ZINC001338608290 1331719405 /nfs/dbraw/zinc/71/94/05/1331719405.db2.gz PKZLKJGPMAXYDZ-HNAYVOBHSA-N 0 3 338.455 2.731 20 10 EFCDHN Cn1c(C2SC=CC2=O)nnc1N1CCCN(C(C)(C)C)CC1 ZINC001338750209 1331733133 /nfs/dbraw/zinc/73/31/33/1331733133.db2.gz KTEPZVORGXCYFH-UHFFFAOYSA-N 0 3 335.477 2.560 20 10 EFCDHN COC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC001338953642 1331761482 /nfs/dbraw/zinc/76/14/82/1331761482.db2.gz SOGYZVAZWJQHSB-STQMWFEESA-N 0 3 342.233 2.894 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=O)c2ccc(F)cc2N)N(C)C)cc1 ZINC001341999822 1332293033 /nfs/dbraw/zinc/29/30/33/1332293033.db2.gz QWGFZMGIGRHTLI-GOSISDBHSA-N 0 3 344.434 2.507 20 10 EFCDHN CC(=O)OC[C@@H](C)[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC001355255126 1334725442 /nfs/dbraw/zinc/72/54/42/1334725442.db2.gz UNXINNJODYUFEL-WBMJQRKESA-N 0 3 340.851 2.551 20 10 EFCDHN COc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CCC[C@H]2O)c1[O-] ZINC000848552895 1334790905 /nfs/dbraw/zinc/79/09/05/1334790905.db2.gz PMUVBEBDGCRBOL-GGZOMVNGSA-N 0 3 330.222 2.727 20 10 EFCDHN CCN(C)c1ccc([C@H](C)NCc2n[nH]c([C@H]3CCCO3)n2)cc1 ZINC000848557240 1334793756 /nfs/dbraw/zinc/79/37/56/1334793756.db2.gz IHHSZTTXAVHJSF-XJKSGUPXSA-N 0 3 329.448 2.963 20 10 EFCDHN CCc1cccc(CNc2cc(C(N)=O)ccc2CN(C)C)c1O ZINC000848891561 1334965737 /nfs/dbraw/zinc/96/57/37/1334965737.db2.gz SJZBZFFIWYHSFV-UHFFFAOYSA-N 0 3 327.428 2.727 20 10 EFCDHN CCc1cccc(CN[C@@H](C)c2cccc(S(=O)(=O)NC)c2)c1O ZINC000848895086 1334968203 /nfs/dbraw/zinc/96/82/03/1334968203.db2.gz PCHXZDDMQDJZNT-ZDUSSCGKSA-N 0 3 348.468 2.714 20 10 EFCDHN CCNS(=O)(=O)c1cccc(CNCc2cccc(CC)c2O)c1 ZINC000848917561 1334984767 /nfs/dbraw/zinc/98/47/67/1334984767.db2.gz VXULFJGKPFHYEZ-UHFFFAOYSA-N 0 3 348.468 2.543 20 10 EFCDHN COc1cc(Br)cc(C[N@H+](C[C@H](C)O)C2CC2)c1[O-] ZINC000848928886 1334994025 /nfs/dbraw/zinc/99/40/25/1334994025.db2.gz PVWFSRMOAZIPKU-VIFPVBQESA-N 0 3 330.222 2.509 20 10 EFCDHN COc1cc(Br)cc(C[N@@H+](C[C@H](C)O)C2CC2)c1[O-] ZINC000848928886 1334994028 /nfs/dbraw/zinc/99/40/28/1334994028.db2.gz PVWFSRMOAZIPKU-VIFPVBQESA-N 0 3 330.222 2.509 20 10 EFCDHN Nc1ccc(CNC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC001356571314 1335054559 /nfs/dbraw/zinc/05/45/59/1335054559.db2.gz QSBJMMWJVOKAJG-LJQANCHMSA-N 0 3 338.455 2.733 20 10 EFCDHN CC[C@@H](C)C[C@H](N)C(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC001357391062 1335306339 /nfs/dbraw/zinc/30/63/39/1335306339.db2.gz DVHFWSOJTBMWMW-KDOFPFPSSA-N 0 3 333.476 2.544 20 10 EFCDHN COC(=O)C[C@H]1CSCCN1Cc1cc2c(cc1O)CCCC2 ZINC000160283035 713491472 /nfs/dbraw/zinc/49/14/72/713491472.db2.gz KPKWCXHHLFSHNM-INIZCTEOSA-N 0 3 335.469 2.752 20 10 EFCDHN CC(C)c1nocc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891245418 714132585 /nfs/dbraw/zinc/13/25/85/714132585.db2.gz DTSHBJXVYDRJPV-KRWDZBQOSA-N 0 3 344.459 2.897 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)C[C@@H]2CC[C@@H]3C[C@@H]32)N(C)C)cc1 ZINC000891246672 714133989 /nfs/dbraw/zinc/13/39/89/714133989.db2.gz DTBZQJXJNGDKMP-NEPXVJNWSA-N 0 3 329.488 2.908 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=O)c2conc2C2CC2)N(C)C)cc1 ZINC000891247139 714134717 /nfs/dbraw/zinc/13/47/17/714134717.db2.gz FSCKNCXOMBVLIX-QGZVFWFLSA-N 0 3 342.443 2.651 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=O)C(C)(C)C(F)F)N(C)C)cc1 ZINC000891247153 714134831 /nfs/dbraw/zinc/13/48/31/714134831.db2.gz FZCVLQXVSBJEDT-CQSZACIVSA-N 0 3 327.419 2.763 20 10 EFCDHN CCc1cncc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)c1 ZINC000891247899 714134895 /nfs/dbraw/zinc/13/48/95/714134895.db2.gz ISXWOJHEWMKXMB-LJQANCHMSA-N 0 3 340.471 2.743 20 10 EFCDHN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891247838 714136420 /nfs/dbraw/zinc/13/64/20/714136420.db2.gz VOZRYDQCURQLKJ-IJCKYZCQSA-N 0 3 347.503 2.531 20 10 EFCDHN CCc1c(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)ccn1C ZINC000891247809 714136628 /nfs/dbraw/zinc/13/66/28/714136628.db2.gz KOVSCGCSKGEFCX-LJQANCHMSA-N 0 3 342.487 2.686 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)[C@H]2CCC(F)(F)C2)N(C)C)cc1 ZINC000891249778 714139171 /nfs/dbraw/zinc/13/91/71/714139171.db2.gz WPVJFVJACLZZPO-HOCLYGCPSA-N 0 3 339.430 2.907 20 10 EFCDHN COC1CCC(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)CC1 ZINC000891249791 714139260 /nfs/dbraw/zinc/13/92/60/714139260.db2.gz WRHHGSQUMVNADZ-NKELODKYSA-N 0 3 347.503 2.677 20 10 EFCDHN CC[C@H](C)[C@H](OC)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891248809 714139621 /nfs/dbraw/zinc/13/96/21/714139621.db2.gz OETSXAMWXHYNEO-WBAXXEDZSA-N 0 3 335.492 2.533 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=O)c2occ3c2CCC3)N(C)C)cc1 ZINC000891250264 714142064 /nfs/dbraw/zinc/14/20/64/714142064.db2.gz WEFCYSYZRCTDDM-GOSISDBHSA-N 0 3 341.455 2.867 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)CCc2nccs2)N(C)C)cc1 ZINC000891252097 714142911 /nfs/dbraw/zinc/14/29/11/714142911.db2.gz GEKYMUJIXMSABD-INIZCTEOSA-N 0 3 346.500 2.561 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=O)CCc2nccs2)N(C)C)cc1 ZINC000891252098 714142989 /nfs/dbraw/zinc/14/29/89/714142989.db2.gz GEKYMUJIXMSABD-MRXNPFEDSA-N 0 3 346.500 2.561 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=O)c2cc3occc3[nH]2)N(C)C)cc1 ZINC000891253410 714147496 /nfs/dbraw/zinc/14/74/96/714147496.db2.gz SHMMRRVMEVIDOV-QGZVFWFLSA-N 0 3 340.427 2.860 20 10 EFCDHN CCc1noc(C)c1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891255438 714151860 /nfs/dbraw/zinc/15/18/60/714151860.db2.gz PFSUZBHEYWPYSE-KRWDZBQOSA-N 0 3 344.459 2.644 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=O)NC(C2CC2)C2CC2)N(C)C)cc1 ZINC000891723909 714977815 /nfs/dbraw/zinc/97/78/15/714977815.db2.gz SRZKXEXCLKPPHI-GOSISDBHSA-N 0 3 344.503 2.843 20 10 EFCDHN C[C@@H](NC(=O)NC[C@H]1NCCc2ccccc21)c1ccccc1O ZINC000892118724 715262037 /nfs/dbraw/zinc/26/20/37/715262037.db2.gz HQQNUSDPDDVXFA-CXAGYDPISA-N 0 3 325.412 2.639 20 10 EFCDHN CCN(CC)c1ccc(CNC(=O)N(C)[C@H]2CCCN(C)C2)cc1 ZINC000892133145 715267995 /nfs/dbraw/zinc/26/79/95/715267995.db2.gz IXTAQUITEOFMKQ-SFHVURJKSA-N 0 3 332.492 2.768 20 10 EFCDHN CCN1CCCC[C@H]1C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000104328959 716032449 /nfs/dbraw/zinc/03/24/49/716032449.db2.gz GZGKYDSCJGPDGV-LPHOPBHVSA-N 0 3 345.487 2.575 20 10 EFCDHN CN(C)[C@@H](CNC(=O)N(C)Cc1ccccc1O)c1ccccc1 ZINC000125867809 717470473 /nfs/dbraw/zinc/47/04/73/717470473.db2.gz VVXLIELDJBQJRV-KRWDZBQOSA-N 0 3 327.428 2.837 20 10 EFCDHN Cc1ccc(O)c(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000179534941 717777785 /nfs/dbraw/zinc/77/77/85/717777785.db2.gz OEZUXSGZTDCLIZ-UHFFFAOYSA-N 0 3 327.384 2.931 20 10 EFCDHN CN(C)c1ccc(CN[C@@H]2CC(=O)N(c3c(F)cccc3F)C2)cc1 ZINC000180219397 718305741 /nfs/dbraw/zinc/30/57/41/718305741.db2.gz KLAXVCMRMBOXIE-CQSZACIVSA-N 0 3 345.393 2.926 20 10 EFCDHN COCCOc1ccccc1CNCc1ccc(OC)c(OC)c1O ZINC000892660300 718389900 /nfs/dbraw/zinc/38/99/00/718389900.db2.gz QHIUXHRTSXLLIP-UHFFFAOYSA-N 0 3 347.411 2.724 20 10 EFCDHN CCCC[N@H+](CCO)Cc1cc(Br)cc(OC)c1[O-] ZINC000305732736 724542104 /nfs/dbraw/zinc/54/21/04/724542104.db2.gz NWIVKUYYURUHTQ-UHFFFAOYSA-N 0 3 332.238 2.758 20 10 EFCDHN CCCC[N@@H+](CCO)Cc1cc(Br)cc(OC)c1[O-] ZINC000305732736 724542105 /nfs/dbraw/zinc/54/21/05/724542105.db2.gz NWIVKUYYURUHTQ-UHFFFAOYSA-N 0 3 332.238 2.758 20 10 EFCDHN Cc1n[nH]cc1[C@H](C)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000305797955 724549139 /nfs/dbraw/zinc/54/91/39/724549139.db2.gz CVYAZWAXJDDYJM-AWEZNQCLSA-N 0 3 328.460 2.778 20 10 EFCDHN CCc1nn(C)cc1CN1CCCN(c2ccc(OC)cc2)CC1 ZINC000179826301 719855364 /nfs/dbraw/zinc/85/53/64/719855364.db2.gz HWHARQFSMCQKAC-UHFFFAOYSA-N 0 3 328.460 2.703 20 10 EFCDHN O=C(/C=C/c1ccc(O)c(O)c1)N1CCN(CC2CCCCC2)CC1 ZINC000180987341 719994899 /nfs/dbraw/zinc/99/48/99/719994899.db2.gz AFXANHJHXZQVMB-VQHVLOKHSA-N 0 3 344.455 2.836 20 10 EFCDHN COc1cc(Br)cc(CN2CCC[C@@H](CO)[C@H]2C)c1O ZINC000840980406 720037828 /nfs/dbraw/zinc/03/78/28/720037828.db2.gz ZCYFWXFEBKOTQV-MNOVXSKESA-N 0 3 344.249 2.756 20 10 EFCDHN COc1cc(Br)cc(CN2CCC[C@@H](CO)[C@@H]2C)c1O ZINC000840980407 720037839 /nfs/dbraw/zinc/03/78/39/720037839.db2.gz ZCYFWXFEBKOTQV-QWRGUYRKSA-N 0 3 344.249 2.756 20 10 EFCDHN CCc1nn(C)c(CC)c1CNCc1ccc(OC)c(OC)c1O ZINC000893213842 720064485 /nfs/dbraw/zinc/06/44/85/720064485.db2.gz JCTHZZMFRASDPP-UHFFFAOYSA-N 0 3 333.432 2.558 20 10 EFCDHN [O-]c1c(F)cc(F)cc1C[NH+]1CCC(CCN2CCOCC2)CC1 ZINC000893984922 720204729 /nfs/dbraw/zinc/20/47/29/720204729.db2.gz VEPOKKFGBOTKSK-UHFFFAOYSA-N 0 3 340.414 2.605 20 10 EFCDHN COC(=O)[C@@H]1C[N@H+](Cc2cc(F)ccc2[O-])C[C@H]1c1ccc(O)cc1 ZINC000296033641 720403805 /nfs/dbraw/zinc/40/38/05/720403805.db2.gz NODPLNUCNWJPCA-DLBZAZTESA-N 0 3 345.370 2.626 20 10 EFCDHN COC(=O)[C@@H]1C[N@@H+](Cc2cc(F)ccc2[O-])C[C@H]1c1ccc(O)cc1 ZINC000296033641 720403809 /nfs/dbraw/zinc/40/38/09/720403809.db2.gz NODPLNUCNWJPCA-DLBZAZTESA-N 0 3 345.370 2.626 20 10 EFCDHN C[C@H]([NH2+]C(C)(C)CNC(=O)c1cccc(O)c1[O-])c1ccccc1 ZINC000188405361 720553253 /nfs/dbraw/zinc/55/32/53/720553253.db2.gz AZJQDURJIPNPFX-ZDUSSCGKSA-N 0 3 328.412 2.957 20 10 EFCDHN CNS(=O)(=O)c1ccc([C@H](C)NCc2ccc(N(C)C)cc2)cc1 ZINC000067247971 721084147 /nfs/dbraw/zinc/08/41/47/721084147.db2.gz PMVXJILMRZHOIU-AWEZNQCLSA-N 0 3 347.484 2.512 20 10 EFCDHN CCNC(=O)c1cccc(CNCc2cc(C)cc(OC)c2O)c1 ZINC000894198816 721192838 /nfs/dbraw/zinc/19/28/38/721192838.db2.gz DDUHGBJSQYXPNY-UHFFFAOYSA-N 0 3 328.412 2.749 20 10 EFCDHN COc1cc(C)cc(CN[C@H]2C[C@@H](C)N(c3ccccc3)C2=O)c1O ZINC000894305108 722029273 /nfs/dbraw/zinc/02/92/73/722029273.db2.gz WSIIFWOBQUYYTM-PBHICJAKSA-N 0 3 340.423 2.993 20 10 EFCDHN COc1cc(C)cc(CNC(C)(C)C(=O)NCC2CCCC2)c1O ZINC000894358396 722608275 /nfs/dbraw/zinc/60/82/75/722608275.db2.gz DVWSDKHYEINLCZ-UHFFFAOYSA-N 0 3 334.460 2.884 20 10 EFCDHN CC[C@@H](F)CN1CC[C@@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001029013968 722639033 /nfs/dbraw/zinc/63/90/33/722639033.db2.gz MSUBJIFGWIKGFW-GXTWGEPZSA-N 0 3 349.410 2.649 20 10 EFCDHN CC[C@H](F)CN1CC[C@@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001029013969 722639067 /nfs/dbraw/zinc/63/90/67/722639067.db2.gz MSUBJIFGWIKGFW-JSGCOSHPSA-N 0 3 349.410 2.649 20 10 EFCDHN COc1ccc(CN2CCC[C@](O)(C(F)(F)F)CC2)c(O)c1OC ZINC000894419866 722731522 /nfs/dbraw/zinc/73/15/22/722731522.db2.gz VPLGZIPVPKYWQE-OAHLLOKOSA-N 0 3 349.349 2.689 20 10 EFCDHN COc1ccc(C[N@H+](C)CCCN(C)Cc2ccco2)c([O-])c1OC ZINC000894434437 722736515 /nfs/dbraw/zinc/73/65/15/722736515.db2.gz ATSOEXLGTSHCMP-UHFFFAOYSA-N 0 3 348.443 2.956 20 10 EFCDHN COc1ccc(C[N@@H+](C)CCCN(C)Cc2ccco2)c([O-])c1OC ZINC000894434437 722736517 /nfs/dbraw/zinc/73/65/17/722736517.db2.gz ATSOEXLGTSHCMP-UHFFFAOYSA-N 0 3 348.443 2.956 20 10 EFCDHN COc1ccc([C@@H](NC(C)C)C(=O)NCc2ccccc2O)cc1 ZINC000896015759 723096942 /nfs/dbraw/zinc/09/69/42/723096942.db2.gz SJNXSSYFLCYOQG-GOSISDBHSA-N 0 3 328.412 2.756 20 10 EFCDHN CN(C)[C@@H](CNC(=O)N(C)Cc1ccccc1O)Cc1ccccc1 ZINC000126807759 723180428 /nfs/dbraw/zinc/18/04/28/723180428.db2.gz BQTAXTWMWBWYTJ-GOSISDBHSA-N 0 3 341.455 2.707 20 10 EFCDHN CCN(C(=O)CNCc1ccc(OC)c(OC)c1O)c1ccccc1 ZINC000896288119 723236357 /nfs/dbraw/zinc/23/63/57/723236357.db2.gz AFKYNRYJEFTOGL-UHFFFAOYSA-N 0 3 344.411 2.552 20 10 EFCDHN C=C/C=C/CCNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000896437234 723301625 /nfs/dbraw/zinc/30/16/25/723301625.db2.gz MQEKURMAHZGKHU-LKGOPFMKSA-N 0 3 330.476 2.787 20 10 EFCDHN Cc1cc(CN[C@H]2CCCS(=O)(=O)C2)c(C)n1-c1ccccc1 ZINC000320662452 723336279 /nfs/dbraw/zinc/33/62/79/723336279.db2.gz KCVUDBTZVLQTKL-KRWDZBQOSA-N 0 3 332.469 2.761 20 10 EFCDHN COc1ccc(N(C)CCN(C)Cc2ccc3oc(=O)oc3c2)cc1 ZINC000895137287 723428319 /nfs/dbraw/zinc/42/83/19/723428319.db2.gz MGLURYQRPMVLJQ-UHFFFAOYSA-N 0 3 342.395 2.963 20 10 EFCDHN CCN(CC)c1ccc(CNC(=O)NCCN2CCCCC2)cc1 ZINC000918198773 728853811 /nfs/dbraw/zinc/85/38/11/728853811.db2.gz GJCAZHCECARZHM-UHFFFAOYSA-N 0 3 332.492 2.818 20 10 EFCDHN COC[C@@H](NCc1ccc(OC)c(OC)c1O)c1cccc(OC)c1 ZINC000895347307 724050733 /nfs/dbraw/zinc/05/07/33/724050733.db2.gz FSOBIRSHFXGXIT-MRXNPFEDSA-N 0 3 347.411 2.895 20 10 EFCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+]CCO[C@@H]1CCOC1 ZINC000897202810 724079957 /nfs/dbraw/zinc/07/99/57/724079957.db2.gz YPVIZVODEBJIRK-LJQANCHMSA-N 0 3 343.423 2.866 20 10 EFCDHN C[C@@H](NCc1ccc(N(C)C)cc1)c1cccc(NS(C)(=O)=O)c1 ZINC000067505241 724098429 /nfs/dbraw/zinc/09/84/29/724098429.db2.gz ODVXEAWWSHTEET-CQSZACIVSA-N 0 3 347.484 2.975 20 10 EFCDHN COc1cc(Cl)cc(CNCC(=O)N2CCc3ccccc32)c1O ZINC000895488548 724157568 /nfs/dbraw/zinc/15/75/68/724157568.db2.gz ZRRFADVCQGJQDH-UHFFFAOYSA-N 0 3 346.814 2.733 20 10 EFCDHN COc1ccc(O)c(CN[C@H]2CCN(c3cccc(Cl)c3)C2=O)c1 ZINC000895495280 724166723 /nfs/dbraw/zinc/16/67/23/724166723.db2.gz PYJJMYFUNZGKFC-INIZCTEOSA-N 0 3 346.814 2.949 20 10 EFCDHN COc1ccc(C2=NO[C@H](C[NH2+]Cc3ccccc3[O-])C2)cc1C ZINC000895501872 724172141 /nfs/dbraw/zinc/17/21/41/724172141.db2.gz ZPIVRJAUUVPSOL-INIZCTEOSA-N 0 3 326.396 2.992 20 10 EFCDHN COc1ccc(C2=NO[C@@H](C[NH2+]Cc3ccccc3[O-])C2)cc1C ZINC000895501873 724172245 /nfs/dbraw/zinc/17/22/45/724172245.db2.gz ZPIVRJAUUVPSOL-MRXNPFEDSA-N 0 3 326.396 2.992 20 10 EFCDHN COc1cccc(CN(C)C[C@@H]2CCN2C(=O)OC(C)(C)C)c1O ZINC000897405904 725012853 /nfs/dbraw/zinc/01/28/53/725012853.db2.gz NKHDSAXCVNRFJV-AWEZNQCLSA-N 0 3 336.432 2.842 20 10 EFCDHN CCOc1ccc(C[NH2+]CC2(NC(=O)OC(C)(C)C)CC2)c([O-])c1 ZINC000897423392 725519277 /nfs/dbraw/zinc/51/92/77/725519277.db2.gz YRQSLQVMXQWYTP-UHFFFAOYSA-N 0 3 336.432 2.938 20 10 EFCDHN CCN1CCCC[C@@H]1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000729343875 726317830 /nfs/dbraw/zinc/31/78/30/726317830.db2.gz GZGKYDSCJGPDGV-VQIMIIECSA-N 0 3 345.487 2.575 20 10 EFCDHN COc1cccc([O-])c1C[NH2+]CCCC(=O)N1CCc2ccccc21 ZINC000732232166 727011215 /nfs/dbraw/zinc/01/12/15/727011215.db2.gz DLFBZBMSJBUUDT-UHFFFAOYSA-N 0 3 340.423 2.860 20 10 EFCDHN O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1cc([O-])cs1 ZINC000732286196 727016420 /nfs/dbraw/zinc/01/64/20/727016420.db2.gz BUSXSFKBHQMPNP-OAHLLOKOSA-N 0 3 330.453 2.748 20 10 EFCDHN O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1cc([O-])cs1 ZINC000732286196 727016424 /nfs/dbraw/zinc/01/64/24/727016424.db2.gz BUSXSFKBHQMPNP-OAHLLOKOSA-N 0 3 330.453 2.748 20 10 EFCDHN CN1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC12CCCCC2 ZINC000908573901 727219174 /nfs/dbraw/zinc/21/91/74/727219174.db2.gz VKWDBSSPXBXRBD-VURMDHGXSA-N 0 3 330.428 2.588 20 10 EFCDHN CC(C)N(CC(=O)NC(=O)NC(C)(C)C)Cc1ccc(N(C)C)cc1 ZINC000917074915 727763610 /nfs/dbraw/zinc/76/36/10/727763610.db2.gz LJCACXYTERFWKL-UHFFFAOYSA-N 0 3 348.491 2.587 20 10 EFCDHN [NH3+][C@H]1CCCO[C@H]1C1CCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000841099546 727974070 /nfs/dbraw/zinc/97/40/70/727974070.db2.gz LLTQIJHQWHTFHN-YOEHRIQHSA-N 0 3 342.842 2.903 20 10 EFCDHN COc1ccc(O)c([C@@H](C)NCC(=O)Nc2ccc(F)c(F)c2)c1 ZINC000182372730 728120786 /nfs/dbraw/zinc/12/07/86/728120786.db2.gz XWYLTLDENHAEPM-SNVBAGLBSA-N 0 3 336.338 2.968 20 10 EFCDHN COc1ccc(O)c([C@H](C)NCC(=O)Nc2sccc2C#N)c1 ZINC000182415680 728152699 /nfs/dbraw/zinc/15/26/99/728152699.db2.gz ISHKKONSSVWVDO-JTQLQIEISA-N 0 3 331.397 2.623 20 10 EFCDHN COc1ccc(O)c([C@H](C)NCC(=O)N[C@@H](C)c2cccs2)c1 ZINC000182443370 728162768 /nfs/dbraw/zinc/16/27/68/728162768.db2.gz MXNPHUFCPYXLHX-RYUDHWBXSA-N 0 3 334.441 2.990 20 10 EFCDHN COc1ccc(O)c([C@@H](C)NCC(=O)N[C@H](C)c2cccs2)c1 ZINC000182443424 728162937 /nfs/dbraw/zinc/16/29/37/728162937.db2.gz MXNPHUFCPYXLHX-VXGBXAGGSA-N 0 3 334.441 2.990 20 10 EFCDHN CN(C)c1ccc(CN(C(=S)NC2CCN(C)CC2)C2CC2)cc1 ZINC000920311261 729172525 /nfs/dbraw/zinc/17/25/25/729172525.db2.gz VCNQSKZXCGRXAF-UHFFFAOYSA-N 0 3 346.544 2.686 20 10 EFCDHN CC(C)N(C)S(=O)(=O)c1ccc(CNCc2ccc(N)cc2)cc1 ZINC001575689854 1088633023 /nfs/dbraw/zinc/63/30/23/1088633023.db2.gz WVIZQRPLJSUYRM-UHFFFAOYSA-N 0 3 347.484 2.588 20 10 EFCDHN CN(C(=O)c1cccc2c1CCNC2)c1cccnc1N1CCCC1 ZINC001578391951 1090360599 /nfs/dbraw/zinc/36/05/99/1090360599.db2.gz WMQLMHVSPNOSLP-UHFFFAOYSA-N 0 3 336.439 2.604 20 10 EFCDHN COc1ccc(N(CCc2ccccc2)C[C@@H]2CNCCO2)cc1 ZINC001579224735 1090551698 /nfs/dbraw/zinc/55/16/98/1090551698.db2.gz URZABBSTJRHQJA-FQEVSTJZSA-N 0 3 326.440 2.733 20 10 EFCDHN CSCC[C@H](N)C(=O)NCCc1cc(C)n(-c2ccccc2)c1C ZINC001579379066 1090600011 /nfs/dbraw/zinc/60/00/11/1090600011.db2.gz TUFISGXBXQAONY-SFHVURJKSA-N 0 3 345.512 2.833 20 10 EFCDHN Cc1cc(C(=O)N[C@H]2CCNC[C@@H]2F)c(C)n1-c1ccc(F)cc1 ZINC001579563762 1090634898 /nfs/dbraw/zinc/63/48/98/1090634898.db2.gz RUCWXMSFWUXDJS-IRXDYDNUSA-N 0 3 333.382 2.663 20 10 EFCDHN Nc1ccc(CNCc2cccc(S(=O)(=O)C(F)(F)F)c2)cc1 ZINC001580447028 1090902566 /nfs/dbraw/zinc/90/25/66/1090902566.db2.gz OFOQBQPDBGQMAF-UHFFFAOYSA-N 0 3 344.358 2.852 20 10 EFCDHN O=C(C[C@@H]1NCc2ccccc21)NCc1ccc2cccnc2c1O ZINC001580523584 1090931920 /nfs/dbraw/zinc/93/19/20/1090931920.db2.gz XCKPQWLGQSOJBO-KRWDZBQOSA-N 0 3 333.391 2.791 20 10 EFCDHN CCN(C)c1ccc(C[N@H+](C)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC001590678711 1093546123 /nfs/dbraw/zinc/54/61/23/1093546123.db2.gz DOHGJMGESYBPAD-UHFFFAOYSA-N 0 3 336.443 2.955 20 10 EFCDHN CCN(C)c1ccc(C[N@@H+](C)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC001590678711 1093546127 /nfs/dbraw/zinc/54/61/27/1093546127.db2.gz DOHGJMGESYBPAD-UHFFFAOYSA-N 0 3 336.443 2.955 20 10 EFCDHN CCN(C)c1ccc(C[N@H+](C)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC001590678711 1093546137 /nfs/dbraw/zinc/54/61/37/1093546137.db2.gz DOHGJMGESYBPAD-UHFFFAOYSA-N 0 3 336.443 2.955 20 10 EFCDHN CCN(C)c1ccc(C[N@@H+](C)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC001590678711 1093546148 /nfs/dbraw/zinc/54/61/48/1093546148.db2.gz DOHGJMGESYBPAD-UHFFFAOYSA-N 0 3 336.443 2.955 20 10 EFCDHN CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590688171 1093549433 /nfs/dbraw/zinc/54/94/33/1093549433.db2.gz XCULRDPHZYNWCC-UONOGXRCSA-N 0 3 346.479 2.733 20 10 EFCDHN COc1ccc(O)c([C@H](C)[NH2+]Cc2cccc(F)c2-c2nnn[n-]2)c1 ZINC001591618150 1093800290 /nfs/dbraw/zinc/80/02/90/1093800290.db2.gz GGVNCJVRWXHZPQ-JTQLQIEISA-N 0 3 343.362 2.571 20 10 EFCDHN Cc1cc(C[N@H+](C)Cc2cc(-c3nnn[n-]3)cs2)ccc1N(C)C ZINC001591961551 1093934834 /nfs/dbraw/zinc/93/48/34/1093934834.db2.gz RCQCFBBRDIBKPZ-UHFFFAOYSA-N 0 3 342.472 2.935 20 10 EFCDHN Cc1cc(C[N@@H+](C)Cc2cc(-c3nnn[n-]3)cs2)ccc1N(C)C ZINC001591961551 1093934838 /nfs/dbraw/zinc/93/48/38/1093934838.db2.gz RCQCFBBRDIBKPZ-UHFFFAOYSA-N 0 3 342.472 2.935 20 10 EFCDHN O=C(c1cccc(O)c1[O-])N1CCC2(C[NH+](C3CCCC3)C2)CC1 ZINC001269608152 1098286052 /nfs/dbraw/zinc/28/60/52/1098286052.db2.gz WOFJNESAAJYBSL-UHFFFAOYSA-N 0 3 330.428 2.578 20 10 EFCDHN CC(C)(C)c1cc([O-])c(CN2CCO[C@@H](CC[NH3+])C2)cc1Cl ZINC001204757540 1100208506 /nfs/dbraw/zinc/20/85/06/1100208506.db2.gz ZKJQXIUNDFLSHA-ZDUSSCGKSA-N 0 3 326.868 2.893 20 10 EFCDHN Cc1c[nH]c2nc(NCc3ccc(N4CCN(C)CC4)cc3)ncc12 ZINC001167426884 1101586117 /nfs/dbraw/zinc/58/61/17/1101586117.db2.gz MXEYNCWUUVQCON-UHFFFAOYSA-N 0 3 336.443 2.582 20 10 EFCDHN COc1ccc(N2CCN(CCCC(C)(C)OC(C)=O)CC2)cc1 ZINC001209148836 1101660393 /nfs/dbraw/zinc/66/03/93/1101660393.db2.gz MNKROKIMFCGRMQ-UHFFFAOYSA-N 0 3 334.460 2.939 20 10 EFCDHN C[C@@H]1CN(CC[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CCO1 ZINC000729683022 1104770865 /nfs/dbraw/zinc/77/08/65/1104770865.db2.gz PRDSZUIWGPSBMN-MRXNPFEDSA-N 0 3 326.440 2.870 20 10 EFCDHN CC(C)=CCN1CC[C@@]2(CCCN2Cc2cc(O)ccc2O)C1=O ZINC001272387285 1108152964 /nfs/dbraw/zinc/15/29/64/1108152964.db2.gz VVVFZGZHVPUEDY-IBGZPJMESA-N 0 3 330.428 2.631 20 10 EFCDHN C[C@@H]1CN(c2ccc(CNC[C@](C)(O)C(F)F)cc2F)C[C@@H](C)O1 ZINC000905054940 1108362835 /nfs/dbraw/zinc/36/28/35/1108362835.db2.gz LSDLWQYOWSTCPF-QFSBIZTOSA-N 0 3 346.393 2.545 20 10 EFCDHN CC(C)n1ccnc1CNC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898447441 1108949279 /nfs/dbraw/zinc/94/92/79/1108949279.db2.gz KFBBCOWERKTNAI-SFHVURJKSA-N 0 3 329.492 2.923 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)N2C[C@@H]3CCCC[C@@H]32)N(C)C)cc1 ZINC000899097805 1109200189 /nfs/dbraw/zinc/20/01/89/1109200189.db2.gz HGGJGVSJZIOSAV-WDSOQIARSA-N 0 3 344.503 2.939 20 10 EFCDHN CC[C@@H]1CCCN1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899101365 1109202100 /nfs/dbraw/zinc/20/21/00/1109202100.db2.gz JTUUNFOETMQLGN-AEFFLSMTSA-N 0 3 332.492 2.939 20 10 EFCDHN CC1=CCN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)CC1 ZINC000899101398 1109202190 /nfs/dbraw/zinc/20/21/90/1109202190.db2.gz HSGNJKAIXBRIGB-GOSISDBHSA-N 0 3 330.476 2.717 20 10 EFCDHN CC1=CCN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)CC1 ZINC000899101400 1109202319 /nfs/dbraw/zinc/20/23/19/1109202319.db2.gz HSGNJKAIXBRIGB-SFHVURJKSA-N 0 3 330.476 2.717 20 10 EFCDHN CCCN(C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)C1CC1 ZINC000899105198 1109203934 /nfs/dbraw/zinc/20/39/34/1109203934.db2.gz VFDUIDYVNABPPU-SFHVURJKSA-N 0 3 332.492 2.939 20 10 EFCDHN CC(C)C1CN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC000899105836 1109204679 /nfs/dbraw/zinc/20/46/79/1109204679.db2.gz ZSRJDDGOLQUETN-GOSISDBHSA-N 0 3 332.492 2.653 20 10 EFCDHN O=C1C[C@@]2(CN1CC(F)(F)F)CCCC[N@H+]2Cc1ccccc1[O-] ZINC001272618288 1111751840 /nfs/dbraw/zinc/75/18/40/1111751840.db2.gz FFCWHRWBMBXLKO-MRXNPFEDSA-N 0 3 342.361 2.912 20 10 EFCDHN O=C1C[C@@]2(CN1CC(F)(F)F)CCCC[N@@H+]2Cc1ccccc1[O-] ZINC001272618288 1111751843 /nfs/dbraw/zinc/75/18/43/1111751843.db2.gz FFCWHRWBMBXLKO-MRXNPFEDSA-N 0 3 342.361 2.912 20 10 EFCDHN O=C1N(CC(F)F)CC[C@@]12CCC[N@@H+](Cc1ccccc1[O-])CC2 ZINC001272618168 1111752093 /nfs/dbraw/zinc/75/20/93/1111752093.db2.gz CFOJVKUTRIYBOF-SFHVURJKSA-N 0 3 338.398 2.862 20 10 EFCDHN O=C1N(CC(F)F)CC[C@@]12CCC[N@H+](Cc1ccccc1[O-])CC2 ZINC001272618168 1111752098 /nfs/dbraw/zinc/75/20/98/1111752098.db2.gz CFOJVKUTRIYBOF-SFHVURJKSA-N 0 3 338.398 2.862 20 10 EFCDHN CN1C[C@@H](c2ccccc2)[C@@]2(CC[N@H+](Cc3ccccc3[O-])C2)C1=O ZINC001272618648 1111753078 /nfs/dbraw/zinc/75/30/78/1111753078.db2.gz LEIGCXMCSMTKLM-RXVVDRJESA-N 0 3 336.435 2.840 20 10 EFCDHN CN1C[C@@H](c2ccccc2)[C@@]2(CC[N@@H+](Cc3ccccc3[O-])C2)C1=O ZINC001272618648 1111753082 /nfs/dbraw/zinc/75/30/82/1111753082.db2.gz LEIGCXMCSMTKLM-RXVVDRJESA-N 0 3 336.435 2.840 20 10 EFCDHN CC(=O)[C@@H](C)N1CC[C@]2(CCC[N@H+](Cc3ccccc3[O-])CC2)C1=O ZINC001272619738 1111755240 /nfs/dbraw/zinc/75/52/40/1111755240.db2.gz ZAZWOIRPLFRDGZ-FOIQADDNSA-N 0 3 344.455 2.574 20 10 EFCDHN CC(=O)[C@@H](C)N1CC[C@]2(CCC[N@@H+](Cc3ccccc3[O-])CC2)C1=O ZINC001272619738 1111755245 /nfs/dbraw/zinc/75/52/45/1111755245.db2.gz ZAZWOIRPLFRDGZ-FOIQADDNSA-N 0 3 344.455 2.574 20 10 EFCDHN COC(C)(C)CNC(=O)[C@H]1CC12CC[NH+](Cc1ccccc1[O-])CC2 ZINC001272619712 1111755325 /nfs/dbraw/zinc/75/53/25/1111755325.db2.gz YMPJWAFWGHWKST-MRXNPFEDSA-N 0 3 346.471 2.536 20 10 EFCDHN Cc1ccc(O)c(CN2CC[C@@H]3[C@H]2CCC(=O)N3CC(F)(F)F)c1 ZINC001272623300 1111760704 /nfs/dbraw/zinc/76/07/04/1111760704.db2.gz ZECUEZAMPFSBBC-ZIAGYGMSSA-N 0 3 342.361 2.828 20 10 EFCDHN CC[C@H](C)N1CC[C@@]2(CC[N@H+](Cc3ccc(OC)cc3[O-])C2)C1=O ZINC001272625286 1111764428 /nfs/dbraw/zinc/76/44/28/1111764428.db2.gz JWBROZOTCAYNKF-IFXJQAMLSA-N 0 3 332.444 2.624 20 10 EFCDHN CC[C@H](C)N1CC[C@@]2(CC[N@@H+](Cc3ccc(OC)cc3[O-])C2)C1=O ZINC001272625286 1111764433 /nfs/dbraw/zinc/76/44/33/1111764433.db2.gz JWBROZOTCAYNKF-IFXJQAMLSA-N 0 3 332.444 2.624 20 10 EFCDHN CC[C@@H](C)N1CC[C@]2(CC[N@H+](Cc3ccc(OC)cc3[O-])C2)C1=O ZINC001272625287 1111764641 /nfs/dbraw/zinc/76/46/41/1111764641.db2.gz JWBROZOTCAYNKF-KUHUBIRLSA-N 0 3 332.444 2.624 20 10 EFCDHN CC[C@@H](C)N1CC[C@]2(CC[N@@H+](Cc3ccc(OC)cc3[O-])C2)C1=O ZINC001272625287 1111764646 /nfs/dbraw/zinc/76/46/46/1111764646.db2.gz JWBROZOTCAYNKF-KUHUBIRLSA-N 0 3 332.444 2.624 20 10 EFCDHN CCCCNC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(OC)cc1[O-])CC2 ZINC001272625246 1111765581 /nfs/dbraw/zinc/76/55/81/1111765581.db2.gz JDPAWOSXGBLGDJ-KRWDZBQOSA-N 0 3 346.471 2.919 20 10 EFCDHN COc1cccc(CN2CCC[C@@]23CCN(CC(C)C)C3=O)c1O ZINC001272625100 1111765639 /nfs/dbraw/zinc/76/56/39/1111765639.db2.gz HWFYFDSDDSYMSO-IBGZPJMESA-N 0 3 332.444 2.624 20 10 EFCDHN COc1cccc(CN2CCC[C@@]23CCN(C2CCCC2)C3=O)c1O ZINC001272625220 1111766294 /nfs/dbraw/zinc/76/62/94/1111766294.db2.gz ISHBBGOGLFQAJV-FQEVSTJZSA-N 0 3 344.455 2.910 20 10 EFCDHN C[C@H]([NH2+]CCOc1ccc(S(C)(=O)=O)cc1)c1ccccc1[O-] ZINC000154208786 1111991558 /nfs/dbraw/zinc/99/15/58/1111991558.db2.gz DGJCFUKWNPCMBO-ZDUSSCGKSA-N 0 3 335.425 2.525 20 10 EFCDHN [O-]c1c(CNc2nccc(C3C[NH2+]C3)n2)cc(Cl)c2cccnc12 ZINC001168522033 1111992532 /nfs/dbraw/zinc/99/25/32/1111992532.db2.gz NMZXBRQCUPMXCZ-UHFFFAOYSA-N 0 3 341.802 2.683 20 10 EFCDHN COc1ccc(O)c([C@H](C)NCC(=O)Nc2ccc(C(C)=O)cc2)c1 ZINC000182451318 1118608649 /nfs/dbraw/zinc/60/86/49/1118608649.db2.gz WLSYGACDAQBIRG-LBPRGKRZSA-N 0 3 342.395 2.893 20 10 EFCDHN Cc1ccc(C(=O)N2CCN(C3CCC(C)CC3)CC2)c(O)c1O ZINC000182454961 1118609680 /nfs/dbraw/zinc/60/96/80/1118609680.db2.gz YWKBPHUWDISDCX-UHFFFAOYSA-N 0 3 332.444 2.743 20 10 EFCDHN O=C(NCC1CC[NH+](Cc2ccccc2)CC1)c1cccc(O)c1[O-] ZINC000192990589 240077916 /nfs/dbraw/zinc/07/79/16/240077916.db2.gz LOTMOYPARKRBEK-UHFFFAOYSA-N 0 3 340.423 2.740 20 10 EFCDHN CCOC1CC(C[NH2+][C@H](CC)c2ccccc2[O-])(N2CCOCC2)C1 ZINC000193396722 240104409 /nfs/dbraw/zinc/10/44/09/240104409.db2.gz UIJCXOVPEMKNPS-KGXSXCIVSA-N 0 3 348.487 2.703 20 10 EFCDHN CCOC1CC(C[NH2+][C@H](C)c2cc(C)ccc2[O-])(N2CCOCC2)C1 ZINC000193407724 240105377 /nfs/dbraw/zinc/10/53/77/240105377.db2.gz IMLQDEPXNIQZSX-ZRZPHAQCSA-N 0 3 348.487 2.621 20 10 EFCDHN [O-]c1cc2c(cc1C[N@@H+]1CCCN(c3ccccc3)CC1)OCO2 ZINC000193432929 240107679 /nfs/dbraw/zinc/10/76/79/240107679.db2.gz NBXABTAQUHLVMA-UHFFFAOYSA-N 0 3 326.396 2.833 20 10 EFCDHN [O-]c1cc2c(cc1C[N@H+]1CCCN(c3ccccc3)CC1)OCO2 ZINC000193432929 240107687 /nfs/dbraw/zinc/10/76/87/240107687.db2.gz NBXABTAQUHLVMA-UHFFFAOYSA-N 0 3 326.396 2.833 20 10 EFCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@H]2CCN(CC(F)(F)F)C2)c1 ZINC000193504506 240110159 /nfs/dbraw/zinc/11/01/59/240110159.db2.gz JLBBSRZFVFHAPW-VXGBXAGGSA-N 0 3 332.366 2.936 20 10 EFCDHN C[C@H]([NH2+][C@@H](Cc1ccccc1)CN1CCOCC1)c1ccccc1[O-] ZINC000183508417 299351477 /nfs/dbraw/zinc/35/14/77/299351477.db2.gz RDQHBKJVJZNTIY-HKUYNNGSSA-N 0 3 340.467 2.986 20 10 EFCDHN CSCC[C@H](N)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000195138923 240204615 /nfs/dbraw/zinc/20/46/15/240204615.db2.gz FMWHULFTINUPCE-KRWDZBQOSA-N 0 3 335.517 2.716 20 10 EFCDHN CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@H]1CCCC[NH2+]1 ZINC000236918615 240236457 /nfs/dbraw/zinc/23/64/57/240236457.db2.gz IWTGYVFWMBVCGY-CYBMUJFWSA-N 0 3 341.249 2.645 20 10 EFCDHN CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@@H]1CCCC[NH2+]1 ZINC000236917611 240237242 /nfs/dbraw/zinc/23/72/42/240237242.db2.gz IWTGYVFWMBVCGY-ZDUSSCGKSA-N 0 3 341.249 2.645 20 10 EFCDHN COc1cccc(CNCc2cc(OC)c(OC)c(OC)c2)c1O ZINC000263655760 240389960 /nfs/dbraw/zinc/38/99/60/240389960.db2.gz FWKXPFVNCRDJOU-UHFFFAOYSA-N 0 3 333.384 2.716 20 10 EFCDHN CN1CCN(CCC[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000263900677 240392384 /nfs/dbraw/zinc/39/23/84/240392384.db2.gz WAERYWMRUJFNFX-UHFFFAOYSA-N 0 3 339.483 2.786 20 10 EFCDHN CCN1CCN(c2cccc(NC(=O)c3cccc4[nH]ncc43)c2)CC1 ZINC000274585396 240725526 /nfs/dbraw/zinc/72/55/26/240725526.db2.gz IDTRIGUDZBTQJJ-UHFFFAOYSA-N 0 3 349.438 2.957 20 10 EFCDHN C[C@@H](N[C@@H]1CCCc2nn(C)cc21)c1ccc(N2CCOCC2)cc1 ZINC000280091977 240859341 /nfs/dbraw/zinc/85/93/41/240859341.db2.gz MLOMKRBUDDORGP-DNVCBOLYSA-N 0 3 340.471 2.985 20 10 EFCDHN CCOCc1cc(CN[C@@H]2COc3ccccc3[C@H]2O)ccc1OC ZINC000288455350 241012053 /nfs/dbraw/zinc/01/20/53/241012053.db2.gz DIYMRRPOPIQFOU-YLJYHZDGSA-N 0 3 343.423 2.816 20 10 EFCDHN COc1cc(O)c(CN2CC3(CCC3)[C@H]2[C@@H]2CCCO2)cc1OC ZINC000290913859 241022616 /nfs/dbraw/zinc/02/26/16/241022616.db2.gz NHKBCNCTLBJNOL-MAUKXSAKSA-N 0 3 333.428 2.943 20 10 EFCDHN Cc1ccc(C(=O)NCC[NH2+][C@H]2CCc3cccc([O-])c32)cc1F ZINC000296057581 241075162 /nfs/dbraw/zinc/07/51/62/241075162.db2.gz RNQYABVKCYYVPC-INIZCTEOSA-N 0 3 328.387 2.847 20 10 EFCDHN C[C@H]1CN(C(=O)NCc2ccc(N(C)C)c(F)c2)CCN(C2CC2)C1 ZINC000297353254 241120784 /nfs/dbraw/zinc/12/07/84/241120784.db2.gz UUUUFSFUVPJDAW-CQSZACIVSA-N 0 3 348.466 2.517 20 10 EFCDHN CC[C@@H]([NH2+]CC1(OCCOC)CCOCC1)c1ccc(C)cc1[O-] ZINC000296546241 241090684 /nfs/dbraw/zinc/09/06/84/241090684.db2.gz REVSSAZAUIVYBT-QGZVFWFLSA-N 0 3 337.460 2.954 20 10 EFCDHN O=C1c2ccccc2C(=O)N1CCC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000297269333 241117864 /nfs/dbraw/zinc/11/78/64/241117864.db2.gz KOHDJOJYUYCONC-INIZCTEOSA-N 0 3 336.391 2.655 20 10 EFCDHN COc1ccc([O-])c([C@H](C)[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c1 ZINC000294731152 241049217 /nfs/dbraw/zinc/04/92/17/241049217.db2.gz GHLDTLUIJMIPSM-SOUVJXGZSA-N 0 3 340.423 2.743 20 10 EFCDHN COc1ccc([O-])c([C@H](C)[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c1 ZINC000294731152 241049221 /nfs/dbraw/zinc/04/92/21/241049221.db2.gz GHLDTLUIJMIPSM-SOUVJXGZSA-N 0 3 340.423 2.743 20 10 EFCDHN COc1ccc(OC)c([C@@H](O)C[NH2+][C@@H]2CCc3cccc([O-])c32)c1 ZINC000295776056 241062563 /nfs/dbraw/zinc/06/25/63/241062563.db2.gz APXGLVRPHFAVMJ-WBVHZDCISA-N 0 3 329.396 2.720 20 10 EFCDHN CCc1cc(N2CCC([NH2+][C@H]3CCc4cccc([O-])c43)CC2)ncn1 ZINC000297637486 241128447 /nfs/dbraw/zinc/12/84/47/241128447.db2.gz JQRMMYQCACBZDX-KRWDZBQOSA-N 0 3 338.455 2.991 20 10 EFCDHN C[C@@H]([NH2+]Cc1ccccc1[O-])[C@H]1CN(Cc2ccccc2)CCO1 ZINC000363256842 242274863 /nfs/dbraw/zinc/27/48/63/242274863.db2.gz PSVNTLCHWOQPQO-OXQOHEQNSA-N 0 3 326.440 2.771 20 10 EFCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](Cc3cnn(C)c3)C2)c1[O-] ZINC000363912901 242285413 /nfs/dbraw/zinc/28/54/13/242285413.db2.gz ZJMOWDJEAOWVHU-LBPRGKRZSA-N 0 3 335.835 2.852 20 10 EFCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@@H](Cc3cnn(C)c3)C2)c1[O-] ZINC000363912901 242285416 /nfs/dbraw/zinc/28/54/16/242285416.db2.gz ZJMOWDJEAOWVHU-LBPRGKRZSA-N 0 3 335.835 2.852 20 10 EFCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2COc3ccccc3[C@H]2O)c1[O-] ZINC000367659752 242387332 /nfs/dbraw/zinc/38/73/32/242387332.db2.gz WUNQIXOBTJYHLS-CXAGYDPISA-N 0 3 335.787 2.638 20 10 EFCDHN CC1(C)CN(Cc2ccc(N3CCOCC3)cc2)[C@@H]1[C@@H]1CCCO1 ZINC000367940018 242396958 /nfs/dbraw/zinc/39/69/58/242396958.db2.gz BJOPYJWCIVZKDK-RBUKOAKNSA-N 0 3 330.472 2.913 20 10 EFCDHN O=C1[C@H]([NH2+][C@@H]2CCc3cccc([O-])c32)CCCN1Cc1ccccn1 ZINC000296498353 285004278 /nfs/dbraw/zinc/00/42/78/285004278.db2.gz PZZDHEJGOXSALV-IAGOWNOFSA-N 0 3 337.423 2.555 20 10 EFCDHN [O-]c1c(Br)cccc1CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252667240 285380487 /nfs/dbraw/zinc/38/04/87/285380487.db2.gz HKDGIJYNKBDKLU-OLZOCXBDSA-N 0 3 325.250 2.871 20 10 EFCDHN [O-]c1c(Br)cccc1CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252667240 285380489 /nfs/dbraw/zinc/38/04/89/285380489.db2.gz HKDGIJYNKBDKLU-OLZOCXBDSA-N 0 3 325.250 2.871 20 10 EFCDHN Cc1ccc(O)c([C@@H](C)NCc2cccnc2N2CCOCC2)c1 ZINC000184986169 292165989 /nfs/dbraw/zinc/16/59/89/292165989.db2.gz XRFBIPGPEGTTDD-OAHLLOKOSA-N 0 3 327.428 2.783 20 10 EFCDHN CCN1CCN(CCCC[NH2+]Cc2c([O-])cccc2Cl)CC1 ZINC000113321512 544568770 /nfs/dbraw/zinc/56/87/70/544568770.db2.gz NLAYVPRYZCJSCE-UHFFFAOYSA-N 0 3 325.884 2.553 20 10 EFCDHN Cc1ccc([C@@H](C[NH2+]Cc2cc(C)ccc2[O-])N2CCOCC2)o1 ZINC000113316476 544569071 /nfs/dbraw/zinc/56/90/71/544569071.db2.gz QAXHRNBGDMLWBQ-QGZVFWFLSA-N 0 3 330.428 2.765 20 10 EFCDHN C[C@H](CN1CCCC1=O)NCc1ccc(N(C)C)cc1C(F)(F)F ZINC000279792073 278184785 /nfs/dbraw/zinc/18/47/85/278184785.db2.gz CWHIGAXUBJNELA-GFCCVEGCSA-N 0 3 343.393 2.872 20 10 EFCDHN CC[C@H]([NH2+][C@@H](CC(C)C)C(=O)NCCOC)c1ccc(C)cc1[O-] ZINC000280093888 288062772 /nfs/dbraw/zinc/06/27/72/288062772.db2.gz MQPCFQHLAWWRSN-IRXDYDNUSA-N 0 3 336.476 2.919 20 10 EFCDHN C[C@@H]([NH2+]CCCN1CCCN(C)CC1)c1cc(Cl)ccc1[O-] ZINC000185366719 473407511 /nfs/dbraw/zinc/40/75/11/473407511.db2.gz DLYSTKPBXWYHAG-CQSZACIVSA-N 0 3 325.884 2.724 20 10 EFCDHN Cc1ccc(O)c([C@H](C)NCc2ccccc2S(=O)(=O)N(C)C)c1 ZINC000184964633 473285895 /nfs/dbraw/zinc/28/58/95/473285895.db2.gz MOVQUOYVIJTLCL-AWEZNQCLSA-N 0 3 348.468 2.802 20 10 EFCDHN COCCN(C)CCC[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000185008276 473299469 /nfs/dbraw/zinc/29/94/69/473299469.db2.gz BUDZTPRRCWAFII-LBPRGKRZSA-N 0 3 345.281 2.774 20 10 EFCDHN COCCN(C)CCC[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000185008294 473299665 /nfs/dbraw/zinc/29/96/65/473299665.db2.gz BUDZTPRRCWAFII-GFCCVEGCSA-N 0 3 345.281 2.774 20 10 EFCDHN Cc1ccc([C@H](C)[NH2+]Cc2ccnc(N3CCN(C)CC3)c2)c([O-])c1 ZINC000185042354 473309294 /nfs/dbraw/zinc/30/92/94/473309294.db2.gz OGGVVKXRGBQWQH-INIZCTEOSA-N 0 3 340.471 2.698 20 10 EFCDHN COc1ccc([O-])c([C@H](C)[NH2+]CCNC(=O)c2ccccc2F)c1 ZINC000185100046 473327241 /nfs/dbraw/zinc/32/72/41/473327241.db2.gz FSOBRFUDXLBVSB-LBPRGKRZSA-N 0 3 332.375 2.621 20 10 EFCDHN C[C@@H]([NH2+]Cc1cccnc1N1CCN(C)CC1)c1cc(F)ccc1[O-] ZINC000185166137 473349050 /nfs/dbraw/zinc/34/90/50/473349050.db2.gz HLWQOTDJRIXERM-CQSZACIVSA-N 0 3 344.434 2.529 20 10 EFCDHN COc1ccc(CNC(=O)C[NH2+][C@H](C)c2ccc(C)cc2[O-])cc1 ZINC000185181211 473353567 /nfs/dbraw/zinc/35/35/67/473353567.db2.gz DARNXMDMWRXSKL-CQSZACIVSA-N 0 3 328.412 2.676 20 10 EFCDHN CC[C@@H]([NH2+]Cc1ccc(N2CCN(C)CC2)nc1)c1ccccc1[O-] ZINC000185207538 473362477 /nfs/dbraw/zinc/36/24/77/473362477.db2.gz HNKUPORFZMENNH-GOSISDBHSA-N 0 3 340.471 2.780 20 10 EFCDHN CN(Cc1ccccc1O)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000043239250 472212237 /nfs/dbraw/zinc/21/22/37/472212237.db2.gz DVRXFZWBZCOFCJ-SFHVURJKSA-N 0 3 339.439 2.808 20 10 EFCDHN CN(Cc1ccccc1O)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000043239246 472212512 /nfs/dbraw/zinc/21/25/12/472212512.db2.gz DVRXFZWBZCOFCJ-GOSISDBHSA-N 0 3 339.439 2.808 20 10 EFCDHN Cc1cc([O-])c(C[NH+]2CCC(C(=O)Nc3nncs3)CC2)cc1C ZINC000057090875 472382070 /nfs/dbraw/zinc/38/20/70/472382070.db2.gz QNWNNPGUIDUUBB-UHFFFAOYSA-N 0 3 346.456 2.711 20 10 EFCDHN CCOc1cccc(C[NH2+]CCNC(=O)c2ccc(C)cc2)c1[O-] ZINC000076714587 472389972 /nfs/dbraw/zinc/38/99/72/472389972.db2.gz KBINULQZUWGPAO-UHFFFAOYSA-N 0 3 328.412 2.619 20 10 EFCDHN COc1ccc(N2CCC(NCc3cccnc3N(C)C)CC2)cc1 ZINC000154761453 472469498 /nfs/dbraw/zinc/46/94/98/472469498.db2.gz RBJKPZCYVHFHRM-UHFFFAOYSA-N 0 3 340.471 2.915 20 10 EFCDHN CC(C)N(C)CC(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 ZINC000070944524 472526996 /nfs/dbraw/zinc/52/69/96/472526996.db2.gz WZVAAZQVNYBCHW-IBGZPJMESA-N 0 3 347.503 2.600 20 10 EFCDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)NCCCSc1nccs1 ZINC000089937319 472553703 /nfs/dbraw/zinc/55/37/03/472553703.db2.gz ZFGPSMCPEBWNGJ-OLZOCXBDSA-N 0 3 342.534 2.607 20 10 EFCDHN CC[C@H](C)NC(=O)[C@@H](C)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000102416418 472577593 /nfs/dbraw/zinc/57/75/93/472577593.db2.gz QZDNGICMRJPJIX-LSDHHAIUSA-N 0 3 333.476 2.557 20 10 EFCDHN C[C@@H](N[C@H]1CCCN(CC(F)(F)F)C1=O)c1ccc(N(C)C)cc1 ZINC000090591777 472640498 /nfs/dbraw/zinc/64/04/98/472640498.db2.gz SUCLGHOFWAJXOE-DOMZBBRYSA-N 0 3 343.393 2.957 20 10 EFCDHN COc1cc(CN[C@@H](C)c2ccc(N3CCOCC3)cc2)ccn1 ZINC000131674276 472685782 /nfs/dbraw/zinc/68/57/82/472685782.db2.gz IFRYMHJFWNCWDK-HNNXBMFYSA-N 0 3 327.428 2.778 20 10 EFCDHN CNS(=O)(=O)c1cccc(CN[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000131974350 472707224 /nfs/dbraw/zinc/70/72/24/472707224.db2.gz YWDBFIBSIJQUJE-AWEZNQCLSA-N 0 3 347.484 2.512 20 10 EFCDHN C[C@@](O)(C[NH2+]Cc1cc2c(cc1[O-])OCO2)c1ccccc1Cl ZINC000156670327 472738965 /nfs/dbraw/zinc/73/89/65/472738965.db2.gz RLCRAGXUSKFHSB-QGZVFWFLSA-N 0 3 335.787 2.772 20 10 EFCDHN COC(=O)[C@@H](C)Oc1ccc(C[N@H+](C)Cc2ccccc2[O-])cc1 ZINC000091974654 472835179 /nfs/dbraw/zinc/83/51/79/472835179.db2.gz VXPNDLZVNJERIK-CQSZACIVSA-N 0 3 329.396 2.965 20 10 EFCDHN COC(=O)[C@@H](C)Oc1ccc(C[N@@H+](C)Cc2ccccc2[O-])cc1 ZINC000091974654 472835183 /nfs/dbraw/zinc/83/51/83/472835183.db2.gz VXPNDLZVNJERIK-CQSZACIVSA-N 0 3 329.396 2.965 20 10 EFCDHN [O-]c1ccc(Br)cc1CN1CC[C@H]([NH+]2CCCC2)C1 ZINC000133952633 472858536 /nfs/dbraw/zinc/85/85/36/472858536.db2.gz XGTDRNLDUDZOKE-AWEZNQCLSA-N 0 3 325.250 2.825 20 10 EFCDHN CCN(CC)c1ccc(CN2CCC[C@@H](N3CCNC3=O)C2)cc1 ZINC000092189250 472871751 /nfs/dbraw/zinc/87/17/51/472871751.db2.gz FFCNLDJFSHBJNN-GOSISDBHSA-N 0 3 330.476 2.522 20 10 EFCDHN CCN(CC)c1ccc(CN2CCC[C@H](N3CCNC3=O)C2)cc1 ZINC000092189249 472872100 /nfs/dbraw/zinc/87/21/00/472872100.db2.gz FFCNLDJFSHBJNN-SFHVURJKSA-N 0 3 330.476 2.522 20 10 EFCDHN [O-]c1ccc(Br)cc1CN1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000134200549 472884948 /nfs/dbraw/zinc/88/49/48/472884948.db2.gz GNXOFHLCWMVSHM-CQSZACIVSA-N 0 3 325.250 2.825 20 10 EFCDHN [O-]c1ccc(Br)cc1CN1CCC[N@H+]2CCC[C@@H]2C1 ZINC000134200549 472884956 /nfs/dbraw/zinc/88/49/56/472884956.db2.gz GNXOFHLCWMVSHM-CQSZACIVSA-N 0 3 325.250 2.825 20 10 EFCDHN CCCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2cccc(OC)c2[O-])C1 ZINC000092400784 472907265 /nfs/dbraw/zinc/90/72/65/472907265.db2.gz RMVAFHXOBBDKLP-ZBFHGGJFSA-N 0 3 334.460 2.918 20 10 EFCDHN CCCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cc2cccc(OC)c2[O-])C1 ZINC000092400784 472907271 /nfs/dbraw/zinc/90/72/71/472907271.db2.gz RMVAFHXOBBDKLP-ZBFHGGJFSA-N 0 3 334.460 2.918 20 10 EFCDHN Cc1cc(C(=O)N2CC[C@@H]3CC[C@H](C2)N3C)c(C)n1-c1ccccn1 ZINC000073987336 472916678 /nfs/dbraw/zinc/91/66/78/472916678.db2.gz YENSCEHMIDQINK-DLBZAZTESA-N 0 3 338.455 2.798 20 10 EFCDHN CS[C@@H]1CCCCN(CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000134607159 472937865 /nfs/dbraw/zinc/93/78/65/472937865.db2.gz NYRNVKXHCSFAJD-QGZVFWFLSA-N 0 3 335.517 2.586 20 10 EFCDHN C[C@H](CNC(=O)NCc1c(O)ccc2c1CCCC2)N(C)C1CC1 ZINC000074100712 472941227 /nfs/dbraw/zinc/94/12/27/472941227.db2.gz NAACSPCXPQHHPR-CYBMUJFWSA-N 0 3 331.460 2.553 20 10 EFCDHN Cn1nccc1C[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000080202408 472995751 /nfs/dbraw/zinc/99/57/51/472995751.db2.gz QGQUMPGMJADALQ-HNNXBMFYSA-N 0 3 334.851 2.533 20 10 EFCDHN CCCO[C@H]1CCCN(CC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000108394531 473023312 /nfs/dbraw/zinc/02/33/12/473023312.db2.gz GIKYWNODGMZBON-IBGZPJMESA-N 0 3 347.503 2.650 20 10 EFCDHN CCCOc1ccc(C[NH+]2CCC(N3CCCC3=O)CC2)c([O-])c1 ZINC000093088234 473041740 /nfs/dbraw/zinc/04/17/40/473041740.db2.gz FTMHRWXNJZRSEI-UHFFFAOYSA-N 0 3 332.444 2.768 20 10 EFCDHN COc1cc(OC)cc([C@@H](O)C[NH2+][C@H](C)c2cc(F)ccc2[O-])c1 ZINC000185487608 473440397 /nfs/dbraw/zinc/44/03/97/473440397.db2.gz ANKPXDAFYUNUKQ-ZMZPIMSZSA-N 0 3 335.375 2.933 20 10 EFCDHN C[C@H](NCCNC(=O)C1CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000178211474 473475924 /nfs/dbraw/zinc/47/59/24/473475924.db2.gz NYWBWBOZWFAYNH-AWEZNQCLSA-N 0 3 333.451 2.993 20 10 EFCDHN COCCN(C)c1ccc(CN(C)Cc2ccc(N(C)C)cc2)cn1 ZINC000191149933 473491483 /nfs/dbraw/zinc/49/14/83/473491483.db2.gz ZJODYRMUTUSGGM-UHFFFAOYSA-N 0 3 342.487 2.862 20 10 EFCDHN CCCn1ccnc1CCC[N@H+](C)Cc1cc2c(cc1[O-])OCO2 ZINC000191278271 473523216 /nfs/dbraw/zinc/52/32/16/473523216.db2.gz NCYXOPIDAGDXPL-UHFFFAOYSA-N 0 3 331.416 2.792 20 10 EFCDHN CCCn1ccnc1CCC[N@@H+](C)Cc1cc2c(cc1[O-])OCO2 ZINC000191278271 473523221 /nfs/dbraw/zinc/52/32/21/473523221.db2.gz NCYXOPIDAGDXPL-UHFFFAOYSA-N 0 3 331.416 2.792 20 10 EFCDHN C[C@H]([NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1)c1cc(F)ccc1[O-] ZINC000186127719 473596446 /nfs/dbraw/zinc/59/64/46/473596446.db2.gz CFPSLZNNVZSFOR-IXDGSTSKSA-N 0 3 336.451 2.950 20 10 EFCDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCCN(CC(F)(F)F)C2=O)c1 ZINC000186144134 473600041 /nfs/dbraw/zinc/60/00/41/473600041.db2.gz VVHBUHCVHKACNX-DGCLKSJQSA-N 0 3 330.350 2.905 20 10 EFCDHN Cc1ccc(O)c([C@@H](C)N[C@@H]2CCCN(CC(F)(F)F)C2=O)c1 ZINC000186144134 473600047 /nfs/dbraw/zinc/60/00/47/473600047.db2.gz VVHBUHCVHKACNX-DGCLKSJQSA-N 0 3 330.350 2.905 20 10 EFCDHN C[C@@H]1C[C@@H](NC(=O)N(C)Cc2ccc(N(C)C)cc2)CN1C1CC1 ZINC000127330034 473600474 /nfs/dbraw/zinc/60/04/74/473600474.db2.gz UAPZWUMYSWZKRW-GDBMZVCRSA-N 0 3 330.476 2.519 20 10 EFCDHN Cc1ncsc1/C=C/C(=O)N1C[C@H](N(C)C)Cc2ccccc21 ZINC000186478561 473679624 /nfs/dbraw/zinc/67/96/24/473679624.db2.gz ZHXRWCLKKMRIEN-XVJNWHFHSA-N 0 3 327.453 2.984 20 10 EFCDHN Cc1ccc(NC(=O)c2ccc(C)c(O)c2[O-])c(OCC[NH+](C)C)c1 ZINC000179510788 473691853 /nfs/dbraw/zinc/69/18/53/473691853.db2.gz NWYSGPFHXRDGBB-UHFFFAOYSA-N 0 3 344.411 2.907 20 10 EFCDHN Cc1cc(N2CCN(Cc3ccccc3O)CC2)nc(C(C)C)n1 ZINC000179554407 473693901 /nfs/dbraw/zinc/69/39/01/473693901.db2.gz BVWYMJFXYMNKJO-UHFFFAOYSA-N 0 3 326.444 2.936 20 10 EFCDHN C[C@@H](CCN1CCN(C)CC1)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000186592502 473695576 /nfs/dbraw/zinc/69/55/76/473695576.db2.gz BPLQPCRVHXULMJ-KBPBESRZSA-N 0 3 325.884 2.722 20 10 EFCDHN Cc1cc(Br)cc(CN2CCC3(CC2)OCCO3)c1O ZINC000179665579 473706173 /nfs/dbraw/zinc/70/61/73/473706173.db2.gz PFYSSHKPRQICAV-UHFFFAOYSA-N 0 3 342.233 2.802 20 10 EFCDHN COc1ccccc1N1CC[C@H]([NH2+][C@@H](C)c2ccccc2[O-])C1=O ZINC000179888759 473750300 /nfs/dbraw/zinc/75/03/00/473750300.db2.gz BUOKMEQQJHDNKB-ZFWWWQNUSA-N 0 3 326.396 2.857 20 10 EFCDHN Cc1ccccc1C[NH+]1CCC(NC(=O)c2cccc(O)c2[O-])CC1 ZINC000186962325 473788338 /nfs/dbraw/zinc/78/83/38/473788338.db2.gz BPFKLZXPJZOGRN-UHFFFAOYSA-N 0 3 340.423 2.801 20 10 EFCDHN Cc1cccc(C[NH2+][C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c1[O-] ZINC000180082612 473793803 /nfs/dbraw/zinc/79/38/03/473793803.db2.gz LWKWCGKAKFQTGO-CQSZACIVSA-N 0 3 348.468 2.802 20 10 EFCDHN Cc1cccc(CN[C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c1O ZINC000180082612 473793811 /nfs/dbraw/zinc/79/38/11/473793811.db2.gz LWKWCGKAKFQTGO-CQSZACIVSA-N 0 3 348.468 2.802 20 10 EFCDHN CC1CC[NH+](C[C@@H]2CCCN(C(=O)c3cccc(O)c3[O-])C2)CC1 ZINC000187050854 473809492 /nfs/dbraw/zinc/80/94/92/473809492.db2.gz FFWZQUGRSFNWIE-HNNXBMFYSA-N 0 3 332.444 2.682 20 10 EFCDHN CN(C)C1(CN(C)C(=O)NCc2ccc3c(c2)CCCN3C)CCC1 ZINC000187080884 473813001 /nfs/dbraw/zinc/81/30/01/473813001.db2.gz ZODCQZPCYUIRHS-UHFFFAOYSA-N 0 3 344.503 2.695 20 10 EFCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CCCC(=O)N(C)C)c1[O-] ZINC000187097254 473817151 /nfs/dbraw/zinc/81/71/51/473817151.db2.gz ISXMCDWJFVAVLJ-NSHDSACASA-N 0 3 343.265 2.982 20 10 EFCDHN COCCN(C)CC[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-] ZINC000187143940 473824237 /nfs/dbraw/zinc/82/42/37/473824237.db2.gz MXCJTYYWRLCDKG-GFCCVEGCSA-N 0 3 345.281 2.692 20 10 EFCDHN Cc1cc(Br)cc(CN2CC[C@@H](C[NH+](C)C)C2)c1[O-] ZINC000180230023 473833275 /nfs/dbraw/zinc/83/32/75/473833275.db2.gz GGCKISAZPWNTSE-LBPRGKRZSA-N 0 3 327.266 2.847 20 10 EFCDHN Cc1cc(Br)cc(C[NH2+]CC2([S@](C)=O)CCC2)c1[O-] ZINC000281827209 473849616 /nfs/dbraw/zinc/84/96/16/473849616.db2.gz PMKHMNNKFMSQQL-IBGZPJMESA-N 0 3 346.290 2.854 20 10 EFCDHN C[S@@](=O)C1(C[NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])CC1 ZINC000281866892 473864998 /nfs/dbraw/zinc/86/49/98/473864998.db2.gz VXULIDUUERVOGA-XMMPIXPASA-N 0 3 345.464 2.972 20 10 EFCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CC(=O)NCC2CC2)c1[O-] ZINC000187530827 473882104 /nfs/dbraw/zinc/88/21/04/473882104.db2.gz VPVBZOALIGRRAN-JTQLQIEISA-N 0 3 341.249 2.640 20 10 EFCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)C[S@](C)=O)c1[O-] ZINC000187540812 473882512 /nfs/dbraw/zinc/88/25/12/473882512.db2.gz LKISPBIXTZTTJJ-RAALSFIWSA-N 0 3 334.279 2.881 20 10 EFCDHN Cc1cc(Br)cc(CN(C)[C@@H](C)C[S@](C)=O)c1O ZINC000187826732 473928861 /nfs/dbraw/zinc/92/88/61/473928861.db2.gz XEQZCMOFEFGVLG-YPMLDQLKSA-N 0 3 334.279 2.662 20 10 EFCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CCCOCCO)c1[O-] ZINC000187535227 473883628 /nfs/dbraw/zinc/88/36/28/473883628.db2.gz NLFOWHJIWKQWGR-NSHDSACASA-N 0 3 332.238 2.513 20 10 EFCDHN CCN1CCN(c2cccc(NC(=O)c3cccc4[nH]cnc43)c2)CC1 ZINC000274662424 473912880 /nfs/dbraw/zinc/91/28/80/473912880.db2.gz ZBHBXWPLWLUNAK-UHFFFAOYSA-N 0 3 349.438 2.957 20 10 EFCDHN CCN1CCN(c2cccc(NC(=O)c3cccc4nc[nH]c43)c2)CC1 ZINC000274662424 473912887 /nfs/dbraw/zinc/91/28/87/473912887.db2.gz ZBHBXWPLWLUNAK-UHFFFAOYSA-N 0 3 349.438 2.957 20 10 EFCDHN C[C@H](CC(=O)OC(C)(C)C)NCc1ccc(N2CCOCC2)cc1 ZINC000264532550 474026857 /nfs/dbraw/zinc/02/68/57/474026857.db2.gz JUGUKYDZOIGOBR-OAHLLOKOSA-N 0 3 334.460 2.733 20 10 EFCDHN CCCOc1ccc(C[NH2+][C@H]2COc3ccccc3[C@H]2O)c([O-])c1 ZINC000288715582 474029667 /nfs/dbraw/zinc/02/96/67/474029667.db2.gz ZOBVHSYMGZPSTL-QFBILLFUSA-N 0 3 329.396 2.765 20 10 EFCDHN Cc1cc([O-])c(C[N@@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)cc1C ZINC000275032652 474049206 /nfs/dbraw/zinc/04/92/06/474049206.db2.gz SPONWPBILOCQOP-LBPRGKRZSA-N 0 3 330.350 2.509 20 10 EFCDHN Cc1cc([O-])c(C[N@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)cc1C ZINC000275032652 474049218 /nfs/dbraw/zinc/04/92/18/474049218.db2.gz SPONWPBILOCQOP-LBPRGKRZSA-N 0 3 330.350 2.509 20 10 EFCDHN COc1ccc(N2CCCN(CCO[C@@H]3CCCCO3)CC2)cc1 ZINC000181650509 474055454 /nfs/dbraw/zinc/05/54/54/474055454.db2.gz SSFNDXSHIRLDDJ-LJQANCHMSA-N 0 3 334.460 2.751 20 10 EFCDHN CNC(=O)CCC[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-] ZINC000275299708 474135122 /nfs/dbraw/zinc/13/51/22/474135122.db2.gz HRNCDFBWAJASCZ-SNVBAGLBSA-N 0 3 329.238 2.640 20 10 EFCDHN CCCOc1ccc(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@@H]2O)c([O-])c1 ZINC000282649639 474142754 /nfs/dbraw/zinc/14/27/54/474142754.db2.gz HTRAVFSBRMDIQH-QFBILLFUSA-N 0 3 349.471 2.838 20 10 EFCDHN COc1ccc(O)c([C@@H](C)N[C@@H]2CCN(c3ccccc3)C2=O)c1 ZINC000182322358 474148887 /nfs/dbraw/zinc/14/88/87/474148887.db2.gz FRBDYIPBTKYRCA-CXAGYDPISA-N 0 3 326.396 2.857 20 10 EFCDHN COc1ccc(O)c([C@H](C)NCCS(=O)(=O)c2ccccc2)c1 ZINC000182337458 474152391 /nfs/dbraw/zinc/15/23/91/474152391.db2.gz VYDNQFMRUYLEJG-ZDUSSCGKSA-N 0 3 335.425 2.525 20 10 EFCDHN COc1ccc(O)c([C@H](C)N[C@H](C)C(=O)NCc2ccccc2)c1 ZINC000182342836 474152806 /nfs/dbraw/zinc/15/28/06/474152806.db2.gz CXKKDLYCEDFHKZ-UONOGXRCSA-N 0 3 328.412 2.756 20 10 EFCDHN COc1ccc(O)c([C@@H](C)N[C@H](C)C(=O)NCc2ccccc2)c1 ZINC000182342854 474153983 /nfs/dbraw/zinc/15/39/83/474153983.db2.gz CXKKDLYCEDFHKZ-ZIAGYGMSSA-N 0 3 328.412 2.756 20 10 EFCDHN CS(=O)(=O)[C@H]1CCCC[C@H]1NCc1ccc(N2CCCC2)cc1 ZINC000182385971 474163764 /nfs/dbraw/zinc/16/37/64/474163764.db2.gz RAWNJFWURXVTOM-MSOLQXFVSA-N 0 3 336.501 2.732 20 10 EFCDHN COC[C@H](CCO)[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-] ZINC000275378011 474164464 /nfs/dbraw/zinc/16/44/64/474164464.db2.gz WYYVSDKSJJPIOC-PWSUYJOCSA-N 0 3 332.238 2.511 20 10 EFCDHN O=C(COc1ccccc1C[NH2+]Cc1ccccc1[O-])NCC1CC1 ZINC000265288046 474172640 /nfs/dbraw/zinc/17/26/40/474172640.db2.gz YZJZMRXMPGFFOC-UHFFFAOYSA-N 0 3 340.423 2.587 20 10 EFCDHN COc1cc([O-])c(C[NH2+]C[C@@](C)(O)c2cc(C)oc2C)cc1OC ZINC000182456533 474181539 /nfs/dbraw/zinc/18/15/39/474181539.db2.gz LQXRRLYGHVUIHR-GOSISDBHSA-N 0 3 335.400 2.617 20 10 EFCDHN COc1ccc(O)c([C@H](C)NCc2cccc(C(=O)N(C)C)c2)c1 ZINC000182463299 474181726 /nfs/dbraw/zinc/18/17/26/474181726.db2.gz HYXJLQRKPPNDRB-ZDUSSCGKSA-N 0 3 328.412 2.953 20 10 EFCDHN CCN(CC)c1ccc(CN[C@@H]2CCCC[C@H]2S(C)(=O)=O)cc1 ZINC000182501351 474191565 /nfs/dbraw/zinc/19/15/65/474191565.db2.gz PNVJRECKEUFQGR-QZTJIDSGSA-N 0 3 338.517 2.978 20 10 EFCDHN CC[C@H](C(=O)N(C)Cc1ccc(N2CCOCC2)cc1)N(CC)CC ZINC000265424152 474208042 /nfs/dbraw/zinc/20/80/42/474208042.db2.gz KCIXHQWOGOQWIV-LJQANCHMSA-N 0 3 347.503 2.602 20 10 EFCDHN CCCOc1ccc(C[NH2+][C@H]2CCO[C@@H](c3cncn3C)C2)c([O-])c1 ZINC000275502811 474212903 /nfs/dbraw/zinc/21/29/03/474212903.db2.gz JUGXRBWTDHYCAM-HNAYVOBHSA-N 0 3 345.443 2.924 20 10 EFCDHN CN1C(=O)C[C@@H]([NH2+]Cc2ccccc2[O-])[C@H]1c1ccc(F)c(F)c1 ZINC000270693517 474224179 /nfs/dbraw/zinc/22/41/79/474224179.db2.gz WLLPHYZWDUSRAT-CRAIPNDOSA-N 0 3 332.350 2.732 20 10 EFCDHN [O-]c1ccc(Br)cc1C[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000227437232 474246139 /nfs/dbraw/zinc/24/61/39/474246139.db2.gz GFUJDVMTBJUZKB-NSHDSACASA-N 0 3 325.250 2.729 20 10 EFCDHN CC[N@H+](CCCN1CCCC1)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000289402024 474255739 /nfs/dbraw/zinc/25/57/39/474255739.db2.gz GPSOICWOJKDOLR-UHFFFAOYSA-N 0 3 337.420 2.617 20 10 EFCDHN CC[N@@H+](CCCN1CCCC1)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000289402024 474255743 /nfs/dbraw/zinc/25/57/43/474255743.db2.gz GPSOICWOJKDOLR-UHFFFAOYSA-N 0 3 337.420 2.617 20 10 EFCDHN CCN(CCC[NH+]1CCCC1)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000289402024 474255748 /nfs/dbraw/zinc/25/57/48/474255748.db2.gz GPSOICWOJKDOLR-UHFFFAOYSA-N 0 3 337.420 2.617 20 10 EFCDHN NC(=O)C1CC[NH+](Cc2ccc(OCc3ccccc3)cc2[O-])CC1 ZINC000182941748 474292927 /nfs/dbraw/zinc/29/29/27/474292927.db2.gz FSOOYLACHYWOPB-UHFFFAOYSA-N 0 3 340.423 2.669 20 10 EFCDHN COCCOCc1ccc(CNCc2cccc(OC)c2O)cc1 ZINC000289496762 474297590 /nfs/dbraw/zinc/29/75/90/474297590.db2.gz SHXBRPGKBGHIOF-UHFFFAOYSA-N 0 3 331.412 2.854 20 10 EFCDHN COCCOCc1ccc(C[NH2+]Cc2cccc(OC)c2[O-])cc1 ZINC000289496762 474297593 /nfs/dbraw/zinc/29/75/93/474297593.db2.gz SHXBRPGKBGHIOF-UHFFFAOYSA-N 0 3 331.412 2.854 20 10 EFCDHN COc1ccc(N2CCN(CCN[C@@H](C)c3ccccn3)CC2)cc1 ZINC000270896293 474310634 /nfs/dbraw/zinc/31/06/34/474310634.db2.gz IKKNYRWNPJKELM-KRWDZBQOSA-N 0 3 340.471 2.563 20 10 EFCDHN CCOc1ccc(O)c(CN2CC[C@@H](C(F)(F)F)[C@H](CO)C2)c1 ZINC000289640880 474356627 /nfs/dbraw/zinc/35/66/27/474356627.db2.gz MHUROPOSTGUXMH-GXTWGEPZSA-N 0 3 333.350 2.784 20 10 EFCDHN CCN(CC)c1ccc(CN[C@@H]2CCC[C@H](S(C)(=O)=O)C2)cc1 ZINC000265903772 474380152 /nfs/dbraw/zinc/38/01/52/474380152.db2.gz VWAZTYJKSQDNKW-AEFFLSMTSA-N 0 3 338.517 2.978 20 10 EFCDHN COc1ccc(CN2CC[C@H]([NH2+][C@H](C)c3ccccc3[O-])C2=O)cc1 ZINC000183606400 474399822 /nfs/dbraw/zinc/39/98/22/474399822.db2.gz WHKWLRYCKNWNIW-KDOFPFPSSA-N 0 3 340.423 2.853 20 10 EFCDHN COC(=O)CN(CC[C@@H]1CCC[N@@H+]1C)Cc1cc(Cl)ccc1[O-] ZINC000271206695 474440851 /nfs/dbraw/zinc/44/08/51/474440851.db2.gz GLXQDZYSLXILPW-HNNXBMFYSA-N 0 3 340.851 2.505 20 10 EFCDHN COC(=O)CN(CC[C@@H]1CCC[N@H+]1C)Cc1cc(Cl)ccc1[O-] ZINC000271206695 474440856 /nfs/dbraw/zinc/44/08/56/474440856.db2.gz GLXQDZYSLXILPW-HNNXBMFYSA-N 0 3 340.851 2.505 20 10 EFCDHN Oc1cc2c(cc1CN1CCC(Oc3ccc(F)nc3)CC1)OCO2 ZINC000189831553 474490831 /nfs/dbraw/zinc/49/08/31/474490831.db2.gz UKQCNNRRZIUADG-UHFFFAOYSA-N 0 3 346.358 2.698 20 10 EFCDHN COc1ccc([O-])c([C@H](C)[NH2+]CCOCC(F)(F)C(F)F)c1 ZINC000189844231 474493295 /nfs/dbraw/zinc/49/32/95/474493295.db2.gz OROZAZDNSFGHJK-VIFPVBQESA-N 0 3 325.302 2.968 20 10 EFCDHN COc1ccc([C@@H](CN(C)C)NCc2cccc(OC)c2O)cc1 ZINC000283818106 474504029 /nfs/dbraw/zinc/50/40/29/474504029.db2.gz CLQZAHFDHCWIMB-QGZVFWFLSA-N 0 3 330.428 2.802 20 10 EFCDHN O=S1(=O)CCC[C@H](CNCc2ccc(N3CCCCC3)cc2)C1 ZINC000290043369 474537646 /nfs/dbraw/zinc/53/76/46/474537646.db2.gz FZIVYPWOPKCTDO-QGZVFWFLSA-N 0 3 336.501 2.591 20 10 EFCDHN CCOCc1cc(CNC[C@H](O)Cc2ccccc2)ccc1OC ZINC000290154554 474559136 /nfs/dbraw/zinc/55/91/36/474559136.db2.gz PISDHZZXHROTTK-LJQANCHMSA-N 0 3 329.440 2.925 20 10 EFCDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)NCCCSc1nccs1 ZINC000242339142 474559609 /nfs/dbraw/zinc/55/96/09/474559609.db2.gz ZFGPSMCPEBWNGJ-QWHCGFSZSA-N 0 3 342.534 2.607 20 10 EFCDHN COc1ccc([C@@H](OC)[C@H](C)[NH2+]Cc2cc3c(cc2[O-])OCO3)cc1 ZINC000271470800 474563000 /nfs/dbraw/zinc/56/30/00/474563000.db2.gz HCQZHTYRKCMMPI-BUXKBTBVSA-N 0 3 345.395 2.995 20 10 EFCDHN Cc1ccc([O-])c(C[N@@H+](C)C[C@]2(O)CCN(Cc3ccccc3)C2)c1 ZINC000190322389 474579071 /nfs/dbraw/zinc/57/90/71/474579071.db2.gz MUVUNEQVAFZASK-OAQYLSRUSA-N 0 3 340.467 2.769 20 10 EFCDHN Cc1ccc([O-])c(C[N@H+](C)C[C@]2(O)CCN(Cc3ccccc3)C2)c1 ZINC000190322389 474579073 /nfs/dbraw/zinc/57/90/73/474579073.db2.gz MUVUNEQVAFZASK-OAQYLSRUSA-N 0 3 340.467 2.769 20 10 EFCDHN C[C@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CCO1)c1ccccc1[O-] ZINC000271649449 474582952 /nfs/dbraw/zinc/58/29/52/474582952.db2.gz IRVJINZAUBTCEB-WMZOPIPTSA-N 0 3 326.440 2.944 20 10 EFCDHN COCCOC[C@H]1CC[N@H+](Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000184699958 474588719 /nfs/dbraw/zinc/58/87/19/474588719.db2.gz KSPABZCFKGFNMG-LBPRGKRZSA-N 0 3 329.824 2.539 20 10 EFCDHN COCCOC[C@H]1CC[N@@H+](Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000184699958 474588725 /nfs/dbraw/zinc/58/87/25/474588725.db2.gz KSPABZCFKGFNMG-LBPRGKRZSA-N 0 3 329.824 2.539 20 10 EFCDHN COc1ccc(O)c(CN2CCN(C(C)=O)C3(CCCCC3)C2)c1 ZINC000271750706 474589603 /nfs/dbraw/zinc/58/96/03/474589603.db2.gz BSKXJXISLNROAQ-UHFFFAOYSA-N 0 3 332.444 2.768 20 10 EFCDHN COc1cc([O-])c(C[NH2+][C@H](C)[C@@H](O)c2cccc(F)c2)cc1OC ZINC000271792836 474592539 /nfs/dbraw/zinc/59/25/39/474592539.db2.gz HGDREZATUJMDPW-ADLMAVQZSA-N 0 3 335.375 2.760 20 10 EFCDHN Cc1cccc(CNCc2ccnc(OC3CCOCC3)c2)c1O ZINC000271820572 474596067 /nfs/dbraw/zinc/59/60/67/474596067.db2.gz CEIVRAZVZROFBL-UHFFFAOYSA-N 0 3 328.412 2.943 20 10 EFCDHN Cc1cc(Br)cc(C[NH2+]C[C@](C)(O)C(F)(F)F)c1[O-] ZINC000271858831 474596795 /nfs/dbraw/zinc/59/67/95/474596795.db2.gz VJLLAKDRXJWJFG-NSHDSACASA-N 0 3 342.155 2.866 20 10 EFCDHN COc1ccc([O-])c(C[NH2+][C@H](CO)Cc2c[nH]c3ccccc23)c1 ZINC000271871323 474597247 /nfs/dbraw/zinc/59/72/47/474597247.db2.gz XTMCQUFWQRIHGF-HNNXBMFYSA-N 0 3 326.396 2.575 20 10 EFCDHN CCOc1cccc(C[N@@H+]2CC[C@](CO)(c3ccccc3)C2)c1[O-] ZINC000291272292 474599353 /nfs/dbraw/zinc/59/93/53/474599353.db2.gz NWIFEWRWEBSAQH-FQEVSTJZSA-N 0 3 327.424 2.927 20 10 EFCDHN CCOc1cccc(C[N@H+]2CC[C@](CO)(c3ccccc3)C2)c1[O-] ZINC000291272292 474599362 /nfs/dbraw/zinc/59/93/62/474599362.db2.gz NWIFEWRWEBSAQH-FQEVSTJZSA-N 0 3 327.424 2.927 20 10 EFCDHN COC(=O)[C@H]1CCCC[C@@]1(C)[NH2+]Cc1cc(OC)c(OC)cc1[O-] ZINC000272404795 474610490 /nfs/dbraw/zinc/61/04/90/474610490.db2.gz JVSBBBPNXNJXMS-FZKQIMNGSA-N 0 3 337.416 2.621 20 10 EFCDHN Cc1cc(C(=O)N2CC[C@H]3CCN(C)C[C@H]32)c(C)n1-c1ccccn1 ZINC000272481251 474613304 /nfs/dbraw/zinc/61/33/04/474613304.db2.gz MCWFSSSIKCBSJX-SJLPKXTDSA-N 0 3 338.455 2.655 20 10 EFCDHN O=C(/C=C/c1ccc(O)c(O)c1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000272493774 474614219 /nfs/dbraw/zinc/61/42/19/474614219.db2.gz RXNQTZGUGZHJQY-LKUPDRCFSA-N 0 3 338.407 2.502 20 10 EFCDHN CCOc1cccc(CN2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)c1O ZINC000278340345 474615088 /nfs/dbraw/zinc/61/50/88/474615088.db2.gz HQRGDDUSOIXZKA-IUODEOHRSA-N 0 3 333.350 2.926 20 10 EFCDHN C[N@@H+]1CC[C@H]2CCN(Cc3cc(Br)ccc3[O-])[C@@H]2C1 ZINC000272551524 474617399 /nfs/dbraw/zinc/61/73/99/474617399.db2.gz DAAGQNIRDMXMCT-SMDDNHRTSA-N 0 3 325.250 2.681 20 10 EFCDHN C[N@H+]1CC[C@H]2CCN(Cc3cc(Br)ccc3[O-])[C@@H]2C1 ZINC000272551524 474617404 /nfs/dbraw/zinc/61/74/04/474617404.db2.gz DAAGQNIRDMXMCT-SMDDNHRTSA-N 0 3 325.250 2.681 20 10 EFCDHN C[C@@H]([NH2+][C@@H](C)CN1CCN(c2ccccn2)CC1)c1ccccc1[O-] ZINC000272803986 474625239 /nfs/dbraw/zinc/62/52/39/474625239.db2.gz BXAXVFZMFJXLTK-DLBZAZTESA-N 0 3 340.471 2.649 20 10 EFCDHN C[C@@H]([NH2+]Cc1cccc(C(=O)N2CCOCC2)c1)c1ccccc1[O-] ZINC000272893808 474636485 /nfs/dbraw/zinc/63/64/85/474636485.db2.gz TVOLSHGFQZQWOV-OAHLLOKOSA-N 0 3 340.423 2.715 20 10 EFCDHN COCCN(CC[NH2+][C@@H](C)c1ccccc1[O-])C(=O)OC(C)(C)C ZINC000272896705 474636981 /nfs/dbraw/zinc/63/69/81/474636981.db2.gz UHGBABSRPGNEGK-AWEZNQCLSA-N 0 3 338.448 2.926 20 10 EFCDHN CCOc1ccc(O)c(CN2CCC[C@H]([C@@H](O)C(F)(F)F)C2)c1 ZINC000278424420 474641000 /nfs/dbraw/zinc/64/10/00/474641000.db2.gz SAVZKVDFRJIECH-XHDPSFHLSA-N 0 3 333.350 2.926 20 10 EFCDHN CS(=O)(=O)CC1CCN(Cc2c(O)ccc3ccccc32)CC1 ZINC000291799276 474693032 /nfs/dbraw/zinc/69/30/32/474693032.db2.gz BSHAKTOQXUJVCZ-UHFFFAOYSA-N 0 3 333.453 2.802 20 10 EFCDHN COc1c([O-])c(CNCCC[N@@H+]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000278563490 474705679 /nfs/dbraw/zinc/70/56/79/474705679.db2.gz BQLABCXFAPSHMU-ZDUSSCGKSA-N 0 3 337.420 2.663 20 10 EFCDHN COc1c([O-])c(CNCCC[N@H+]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000278563490 474705687 /nfs/dbraw/zinc/70/56/87/474705687.db2.gz BQLABCXFAPSHMU-ZDUSSCGKSA-N 0 3 337.420 2.663 20 10 EFCDHN COc1c([O-])c(C[NH2+]CCCN2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000278563490 474705693 /nfs/dbraw/zinc/70/56/93/474705693.db2.gz BQLABCXFAPSHMU-ZDUSSCGKSA-N 0 3 337.420 2.663 20 10 EFCDHN C[C@H]([NH2+]Cc1cc2c(cc1[O-])OCO2)[C@H]1OCCc2sccc21 ZINC000291826533 474706334 /nfs/dbraw/zinc/70/63/34/474706334.db2.gz ZUNUKMQMVRTLMD-DYZYQPBXSA-N 0 3 333.409 2.975 20 10 EFCDHN COc1c([O-])c(CNc2ccc(C[NH+](C)C)cc2)ccc1[N+](=O)[O-] ZINC000278631996 474747418 /nfs/dbraw/zinc/74/74/18/474747418.db2.gz HBZXKRAPLSXIME-UHFFFAOYSA-N 0 3 331.372 2.983 20 10 EFCDHN CCN(CC)c1ccc(CNCc2ccc(C)n(C)c2=O)cc1F ZINC000278682212 474773530 /nfs/dbraw/zinc/77/35/30/474773530.db2.gz ICVBAYPHNYXCMR-UHFFFAOYSA-N 0 3 331.435 2.969 20 10 EFCDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000268136292 474818486 /nfs/dbraw/zinc/81/84/86/474818486.db2.gz JNNORTFPJGXLJW-BEFAXECRSA-N 0 3 344.503 2.767 20 10 EFCDHN COCCOCCOCCC[NH2+][C@@H](C)c1c(C)cc(C)cc1[O-] ZINC000284915081 474823426 /nfs/dbraw/zinc/82/34/26/474823426.db2.gz CVNAGCBJTCQZNT-INIZCTEOSA-N 0 3 325.449 2.729 20 10 EFCDHN C[C@H]([NH2+]Cc1ccc(N2CCOCC2)nc1)c1cc(F)ccc1[O-] ZINC000273299155 474831994 /nfs/dbraw/zinc/83/19/94/474831994.db2.gz AUPCMAPMAHVMHW-ZDUSSCGKSA-N 0 3 331.391 2.614 20 10 EFCDHN CN(CCC[N@H+](C)Cc1cc2c(cc1[O-])OCO2)Cc1ccco1 ZINC000284985130 474852770 /nfs/dbraw/zinc/85/27/70/474852770.db2.gz CATPDTDDFPBAQS-UHFFFAOYSA-N 0 3 332.400 2.668 20 10 EFCDHN CN(CCC[N@@H+](C)Cc1cc2c(cc1[O-])OCO2)Cc1ccco1 ZINC000284985130 474852775 /nfs/dbraw/zinc/85/27/75/474852775.db2.gz CATPDTDDFPBAQS-UHFFFAOYSA-N 0 3 332.400 2.668 20 10 EFCDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@H](O)COc2ccc3c(c2)OCO3)c1 ZINC000273391881 474877240 /nfs/dbraw/zinc/87/72/40/474877240.db2.gz KVJSBXUYQFYXIH-KBPBESRZSA-N 0 3 345.395 2.520 20 10 EFCDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@@H](O)COc2ccc3c(c2)OCO3)c1 ZINC000273391883 474877281 /nfs/dbraw/zinc/87/72/81/474877281.db2.gz KVJSBXUYQFYXIH-UONOGXRCSA-N 0 3 345.395 2.520 20 10 EFCDHN COc1ccc(O)c([C@H](C)NCc2ccc(S(C)(=O)=O)cc2)c1 ZINC000273435617 474896124 /nfs/dbraw/zinc/89/61/24/474896124.db2.gz WVQBPHBZOIOUFW-LBPRGKRZSA-N 0 3 335.425 2.655 20 10 EFCDHN Cc1ccc([C@H](C)N[C@H]2CCN(CC(F)(F)F)C2=O)c(O)c1C ZINC000273466556 474913386 /nfs/dbraw/zinc/91/33/86/474913386.db2.gz JAQSYWRVXOIUJG-AAEUAGOBSA-N 0 3 330.350 2.823 20 10 EFCDHN COC(=O)[C@@]1(C(F)(F)F)CCN(Cc2cc(C)c(C)cc2O)C1 ZINC000285208735 474928648 /nfs/dbraw/zinc/92/86/48/474928648.db2.gz WVXNSNHLQFNXMI-OAHLLOKOSA-N 0 3 331.334 2.936 20 10 EFCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCCN(Cc3ccccn3)C2=O)c([O-])c1 ZINC000273506006 474934770 /nfs/dbraw/zinc/93/47/70/474934770.db2.gz ZMJIGWMRLLERJG-MAUKXSAKSA-N 0 3 339.439 2.937 20 10 EFCDHN C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cccc(O)c1[O-] ZINC000279425107 474975551 /nfs/dbraw/zinc/97/55/51/474975551.db2.gz YQYMDIZTGFTUNE-WMLDXEAASA-N 0 3 340.423 2.738 20 10 EFCDHN C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cccc(O)c1[O-] ZINC000279425107 474975559 /nfs/dbraw/zinc/97/55/59/474975559.db2.gz YQYMDIZTGFTUNE-WMLDXEAASA-N 0 3 340.423 2.738 20 10 EFCDHN O=S(=O)(CCC[NH2+]Cc1ccccc1[O-])c1ccc(Cl)cc1 ZINC000293450861 474986081 /nfs/dbraw/zinc/98/60/81/474986081.db2.gz PKBXRBCXPKWHGA-UHFFFAOYSA-N 0 3 339.844 2.999 20 10 EFCDHN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@H]2CCCN(C(C)C)C2)c1 ZINC000273622760 474993951 /nfs/dbraw/zinc/99/39/51/474993951.db2.gz ZOJGCTCLCDALJS-HUUCEWRRSA-N 0 3 334.460 2.950 20 10 EFCDHN CCCCOC[C@H](O)C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000279982549 475002235 /nfs/dbraw/zinc/00/22/35/475002235.db2.gz JVBUBPOYGXHWGX-MSOLQXFVSA-N 0 3 337.460 2.551 20 10 EFCDHN CCCCOC[C@H](O)C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000279982549 475002243 /nfs/dbraw/zinc/00/22/43/475002243.db2.gz JVBUBPOYGXHWGX-MSOLQXFVSA-N 0 3 337.460 2.551 20 10 EFCDHN CC[C@H]([NH2+]Cc1cccc(S(=O)(=O)NC)c1)c1ccc(C)cc1[O-] ZINC000279961869 475002718 /nfs/dbraw/zinc/00/27/18/475002718.db2.gz CJUKAPQPDACQDW-KRWDZBQOSA-N 0 3 348.468 2.850 20 10 EFCDHN CNC(=O)[C@@H]1CCCN(Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000280347327 475019248 /nfs/dbraw/zinc/01/92/48/475019248.db2.gz SXCSHPXUAXBZPP-CYBMUJFWSA-N 0 3 343.393 2.729 20 10 EFCDHN CCCOc1ccc(CN2C[C@]3(CCOC3)OC(C)(C)C2)c(O)c1 ZINC000280363253 475021080 /nfs/dbraw/zinc/02/10/80/475021080.db2.gz UPZKHHWXZSAEBO-IBGZPJMESA-N 0 3 335.444 2.951 20 10 EFCDHN CN(C)c1ccc(CN[C@H]2CCCN(C(=O)N3CCCC3)C2)cc1 ZINC000285457803 475025789 /nfs/dbraw/zinc/02/57/89/475025789.db2.gz JPLWPTHZTJQKQA-KRWDZBQOSA-N 0 3 330.476 2.522 20 10 EFCDHN CCS[C@H]1CCC[C@@H]1NCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000285708625 475039586 /nfs/dbraw/zinc/03/95/86/475039586.db2.gz DDWCCDFDACUQPB-ROUUACIJSA-N 0 3 349.544 2.975 20 10 EFCDHN C[C@H](NC[C@@H](N1CCOCC1)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000285718279 475039673 /nfs/dbraw/zinc/03/96/73/475039673.db2.gz PXTPBRZVOANWHU-XJKSGUPXSA-N 0 3 345.409 2.666 20 10 EFCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C[C@H](N2CCOCC2)C(F)(F)F)c1 ZINC000285773386 475041232 /nfs/dbraw/zinc/04/12/32/475041232.db2.gz UDQNCPRWAXXWNA-DOMZBBRYSA-N 0 3 332.366 2.614 20 10 EFCDHN COc1ccc(N2CCN(CCN[C@@H](C)c3ccco3)CC2)cc1 ZINC000268833710 475045408 /nfs/dbraw/zinc/04/54/08/475045408.db2.gz OXZMIZDSBGUING-INIZCTEOSA-N 0 3 329.444 2.761 20 10 EFCDHN C[C@@H](NC[C@H](O)c1cnn(C)c1)c1ccc(N2CCCCC2)cc1 ZINC000268854831 475045582 /nfs/dbraw/zinc/04/55/82/475045582.db2.gz CTAZANGKFXYQKC-BEFAXECRSA-N 0 3 328.460 2.795 20 10 EFCDHN COc1ccc(N2CCN(CCN[C@@H](C)c3cncs3)CC2)cc1 ZINC000268847212 475046062 /nfs/dbraw/zinc/04/60/62/475046062.db2.gz SANCWWYOQWNSES-HNNXBMFYSA-N 0 3 346.500 2.625 20 10 EFCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@H]2CC[C@@H](CO)O2)c1[O-] ZINC000293671648 475047184 /nfs/dbraw/zinc/04/71/84/475047184.db2.gz JMVSFHCJOHLZDH-RTXFEEFZSA-N 0 3 344.249 2.654 20 10 EFCDHN CCNC(=O)[C@@H]([NH2+]Cc1cc(Br)cc(C)c1[O-])C(C)C ZINC000293708929 475049022 /nfs/dbraw/zinc/04/90/22/475049022.db2.gz SGNGLFVAWDLYFY-ZDUSSCGKSA-N 0 3 343.265 2.713 20 10 EFCDHN CN(CCCN(C)C(=O)/C=C/c1ccc(O)c(O)c1)Cc1ccco1 ZINC000286487568 475068365 /nfs/dbraw/zinc/06/83/65/475068365.db2.gz JQEQJWMAMHQPEJ-VQHVLOKHSA-N 0 3 344.411 2.685 20 10 EFCDHN CC[C@H](COCC(F)(F)F)[NH2+]Cc1cc(OC)c(OC)cc1[O-] ZINC000294684036 475078108 /nfs/dbraw/zinc/07/81/08/475078108.db2.gz BJENGCXEGHOVIS-LLVKDONJSA-N 0 3 337.338 2.857 20 10 EFCDHN COc1cccc(CN(Cc2cccc(C(N)=O)c2)C2CC2)c1O ZINC000294797156 475083250 /nfs/dbraw/zinc/08/32/50/475083250.db2.gz MOSNVCSBDABWCX-UHFFFAOYSA-N 0 3 326.396 2.664 20 10 EFCDHN C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCC[N@@H+]2Cc2cc3c(cc2[O-])OCO3)C1 ZINC000281133340 475084775 /nfs/dbraw/zinc/08/47/75/475084775.db2.gz DBQYJOROBFXCSU-OJLVUWQFSA-N 0 3 333.428 2.882 20 10 EFCDHN C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCC[N@H+]2Cc2cc3c(cc2[O-])OCO3)C1 ZINC000281133340 475084780 /nfs/dbraw/zinc/08/47/80/475084780.db2.gz DBQYJOROBFXCSU-OJLVUWQFSA-N 0 3 333.428 2.882 20 10 EFCDHN CN(C)c1ccc(CN2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)cc1F ZINC000294837536 475085265 /nfs/dbraw/zinc/08/52/65/475085265.db2.gz QTJVSXQZSKVOOV-JKSUJKDBSA-N 0 3 341.430 2.673 20 10 EFCDHN Cn1cc([C@H]2C[N@H+](Cc3cc(F)ccc3[O-])CC23CCOCC3)cn1 ZINC000295005513 475097202 /nfs/dbraw/zinc/09/72/02/475097202.db2.gz LPXWQGKSOOGODB-QGZVFWFLSA-N 0 3 345.418 2.661 20 10 EFCDHN Cn1cc([C@H]2C[N@@H+](Cc3cc(F)ccc3[O-])CC23CCOCC3)cn1 ZINC000295005513 475097209 /nfs/dbraw/zinc/09/72/09/475097209.db2.gz LPXWQGKSOOGODB-QGZVFWFLSA-N 0 3 345.418 2.661 20 10 EFCDHN C[C@@H](NCCNc1ccccn1)c1ccc(N2CCOCC2)c(F)c1 ZINC000269002502 475122292 /nfs/dbraw/zinc/12/22/92/475122292.db2.gz PQRQJFWYOUDHRQ-OAHLLOKOSA-N 0 3 344.434 2.820 20 10 EFCDHN CCN1CCN(Cc2ccc(N3CCC(OC)CC3)cc2)[C@@H](C)C1 ZINC000295384252 475123340 /nfs/dbraw/zinc/12/33/40/475123340.db2.gz UGSOUSMHVKXEIQ-KRWDZBQOSA-N 0 3 331.504 2.828 20 10 EFCDHN COc1cccc(C[N@@H+]2CC[C@H](C(=O)N(C)c3ccccc3)C2)c1[O-] ZINC000281266883 475144096 /nfs/dbraw/zinc/14/40/96/475144096.db2.gz YHQNVBZMXRTMNS-INIZCTEOSA-N 0 3 340.423 2.886 20 10 EFCDHN COc1cccc(C[N@H+]2CC[C@H](C(=O)N(C)c3ccccc3)C2)c1[O-] ZINC000281266883 475144107 /nfs/dbraw/zinc/14/41/07/475144107.db2.gz YHQNVBZMXRTMNS-INIZCTEOSA-N 0 3 340.423 2.886 20 10 EFCDHN Cc1ccc([C@H](O)CN[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)o1 ZINC000269071736 475160108 /nfs/dbraw/zinc/16/01/08/475160108.db2.gz XCVIIHGIFZSBPT-KBXCAEBGSA-N 0 3 348.418 2.948 20 10 EFCDHN Cc1c2ccccc2n(C)c1CNC(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000350060214 476039842 /nfs/dbraw/zinc/03/98/42/476039842.db2.gz PXDDPVXHNUXHLZ-MRXNPFEDSA-N 0 3 338.455 2.642 20 10 EFCDHN Cc1c2ccccc2n(C)c1CNC(=O)N(C)CCN1CCCC1 ZINC000350286065 476120524 /nfs/dbraw/zinc/12/05/24/476120524.db2.gz JZWNDPAEXIYDSM-UHFFFAOYSA-N 0 3 328.460 2.724 20 10 EFCDHN Cc1csc(=O)n1CCN(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000298682678 476130215 /nfs/dbraw/zinc/13/02/15/476130215.db2.gz BBGJTBNTHDZINQ-UHFFFAOYSA-N 0 3 331.485 2.949 20 10 EFCDHN C[C@H](c1ccccc1)[N@H+](CCC(=O)NC(N)=O)Cc1ccccc1[O-] ZINC000299582500 476144282 /nfs/dbraw/zinc/14/42/82/476144282.db2.gz HTTHZHMOSPVAIQ-CQSZACIVSA-N 0 3 341.411 2.540 20 10 EFCDHN C[C@H](c1ccccc1)[N@@H+](CCC(=O)NC(N)=O)Cc1ccccc1[O-] ZINC000299582500 476144289 /nfs/dbraw/zinc/14/42/89/476144289.db2.gz HTTHZHMOSPVAIQ-CQSZACIVSA-N 0 3 341.411 2.540 20 10 EFCDHN COc1cc(O)c(CN[C@H]2CN(C)Cc3ccccc32)cc1OC ZINC000359892701 476271325 /nfs/dbraw/zinc/27/13/25/476271325.db2.gz AQJADLQQJQWQNR-INIZCTEOSA-N 0 3 328.412 2.686 20 10 EFCDHN COc1cc(Cl)cc(C[NH2+][C@H]2CCc3nc(C)ncc3C2)c1[O-] ZINC000359959864 476276393 /nfs/dbraw/zinc/27/63/93/476276393.db2.gz XLQYHEONWWDBCH-AWEZNQCLSA-N 0 3 333.819 2.800 20 10 EFCDHN COc1cc(Cl)cc(C[NH2+][C@@]2(CO)CCc3ccccc32)c1[O-] ZINC000359962602 476277492 /nfs/dbraw/zinc/27/74/92/476277492.db2.gz WCAZNIWIWDMDGH-GOSISDBHSA-N 0 3 333.815 2.978 20 10 EFCDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@H]2CCN(c3ccccc3C(N)=O)C2)c1 ZINC000373257055 476389266 /nfs/dbraw/zinc/38/92/66/476389266.db2.gz RZYAMDIEUXBICS-CABCVRRESA-N 0 3 339.439 2.729 20 10 EFCDHN Cc1c2ccccc2n(C)c1CNC(=O)[C@H](C1CC1)N1CCCC1 ZINC000352126549 476524521 /nfs/dbraw/zinc/52/45/21/476524521.db2.gz VAWBYISWQLBOCT-IBGZPJMESA-N 0 3 325.456 2.977 20 10 EFCDHN O=C1C[C@H]([NH2+]Cc2cc(F)ccc2[O-])CN1[C@H]1C[C@@H]1c1ccccc1 ZINC000374899389 476580416 /nfs/dbraw/zinc/58/04/16/476580416.db2.gz RVLOBCXQMYBRJR-KSZLIROESA-N 0 3 340.398 2.778 20 10 EFCDHN COc1ccc([O-])c(C[N@@H+]2CC[C@](CO)(Cc3ccc(F)cc3)C2)c1 ZINC000377851143 476612795 /nfs/dbraw/zinc/61/27/95/476612795.db2.gz IQRSSXRGCZQEEX-FQEVSTJZSA-N 0 3 345.414 2.967 20 10 EFCDHN COc1ccc([O-])c(C[N@H+]2CC[C@](CO)(Cc3ccc(F)cc3)C2)c1 ZINC000377851143 476612798 /nfs/dbraw/zinc/61/27/98/476612798.db2.gz IQRSSXRGCZQEEX-FQEVSTJZSA-N 0 3 345.414 2.967 20 10 EFCDHN C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2[O-])CC[C@H]1N1CCN(C)CC1 ZINC000370705983 476944000 /nfs/dbraw/zinc/94/40/00/476944000.db2.gz KRZKKTPBJVOFOT-RHSMWYFYSA-N 0 3 337.895 2.503 20 10 EFCDHN C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2[O-])CC[C@H]1N1CCN(C)CC1 ZINC000370705983 476944003 /nfs/dbraw/zinc/94/40/03/476944003.db2.gz KRZKKTPBJVOFOT-RHSMWYFYSA-N 0 3 337.895 2.503 20 10 EFCDHN CCOc1cccc(C[NH+]2CCC(OC[C@@H]3CCOC3)CC2)c1[O-] ZINC000371801091 477501207 /nfs/dbraw/zinc/50/12/07/477501207.db2.gz FDARYKGOCLCKOZ-OAHLLOKOSA-N 0 3 335.444 2.808 20 10 EFCDHN C[C@@H](C(=O)N1CCOc2cc(N(C)C)ccc21)N1[C@H](C)CC[C@@H]1C ZINC000413536652 477719690 /nfs/dbraw/zinc/71/96/90/477719690.db2.gz VXWOPQNKSSCNJS-ZNMIVQPWSA-N 0 3 331.460 2.739 20 10 EFCDHN CN1CC[C@]2(CCN(C(=O)NCc3ccc(N4CCCC4)cc3)C2)C1 ZINC000368305719 477796924 /nfs/dbraw/zinc/79/69/24/477796924.db2.gz ZBUITTBBLZLGRA-FQEVSTJZSA-N 0 3 342.487 2.524 20 10 EFCDHN C[C@@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)c1cc(Cl)ccc1[O-] ZINC000368328339 477798513 /nfs/dbraw/zinc/79/85/13/477798513.db2.gz OXXABPXTZANBPC-HIFRSBDPSA-N 0 3 337.895 2.865 20 10 EFCDHN COc1cccc(C[NH2+]C2CCN(Cc3ccncc3)CC2)c1[O-] ZINC000372560786 477803813 /nfs/dbraw/zinc/80/38/13/477803813.db2.gz BPWNXIUSHYPMCY-UHFFFAOYSA-N 0 3 327.428 2.550 20 10 EFCDHN Cc1c2ccccc2n(C)c1CNC(=O)N(C)[C@H]1CCN(C)C[C@H]1C ZINC000472221614 478012589 /nfs/dbraw/zinc/01/25/89/478012589.db2.gz IARCNDSIKAQKIX-PBHICJAKSA-N 0 3 342.487 2.968 20 10 EFCDHN Cc1c2ccccc2n(C)c1CN[C@@H](Cc1ccc(F)cc1)C(N)=O ZINC000481563187 478026489 /nfs/dbraw/zinc/02/64/89/478026489.db2.gz CPVGUYWEXISNCE-KRWDZBQOSA-N 0 3 339.414 2.812 20 10 EFCDHN Cc1ccc(O)c(CNc2ccc(C(=O)NCCN(C)C)cc2)c1 ZINC000527765296 478508494 /nfs/dbraw/zinc/50/84/94/478508494.db2.gz UWWONUJQJLMBFC-UHFFFAOYSA-N 0 3 327.428 2.604 20 10 EFCDHN COc1cncc(/C=C\C(=O)N(CCN(C)C)c2ccccc2)c1 ZINC000492402870 478968008 /nfs/dbraw/zinc/96/80/08/478968008.db2.gz BMLCGLQFQQQYBW-KTKRTIGZSA-N 0 3 325.412 2.698 20 10 EFCDHN Cc1ccc([O-])c(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c1 ZINC000172114572 534198161 /nfs/dbraw/zinc/19/81/61/534198161.db2.gz YUPFBPWACVUZOA-AWEZNQCLSA-N 0 3 348.468 2.802 20 10 EFCDHN Cc1ccc(O)c(CN[C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c1 ZINC000172114572 534198168 /nfs/dbraw/zinc/19/81/68/534198168.db2.gz YUPFBPWACVUZOA-AWEZNQCLSA-N 0 3 348.468 2.802 20 10 EFCDHN CC(C)(CCS(C)(=O)=O)NCc1ccc(N2CCCCC2)cc1 ZINC000174640145 527061980 /nfs/dbraw/zinc/06/19/80/527061980.db2.gz SOGAQOIFWDWUAI-UHFFFAOYSA-N 0 3 338.517 2.980 20 10 EFCDHN CCCN(CC(=O)NCc1cccc(OC)c1)Cc1ccccc1O ZINC000174374412 527892930 /nfs/dbraw/zinc/89/29/30/527892930.db2.gz PZCSSEXTHXBHRQ-UHFFFAOYSA-N 0 3 342.439 2.929 20 10 EFCDHN CC1CCN(c2ccc(CNC(=O)N(C)CCN(C)C)cc2)CC1 ZINC000176342553 528264193 /nfs/dbraw/zinc/26/41/93/528264193.db2.gz KVPWIGOSYHVBHE-UHFFFAOYSA-N 0 3 332.492 2.626 20 10 EFCDHN CCN(CC)c1ccc(CNC(=O)N2CC[C@H](N3CCCC3)C2)cc1 ZINC000171046188 528302804 /nfs/dbraw/zinc/30/28/04/528302804.db2.gz OFDJNNGZLPKNFR-IBGZPJMESA-N 0 3 344.503 2.913 20 10 EFCDHN CC[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)c1cnn(C)c1 ZINC000165169941 529183859 /nfs/dbraw/zinc/18/38/59/529183859.db2.gz QTMLJHOUFLTLTK-QGZVFWFLSA-N 0 3 332.423 2.637 20 10 EFCDHN CCN(CC)c1ccc(CN[C@@H]2CCN(c3cnn(C)c3)C2)cc1F ZINC000369599924 535685919 /nfs/dbraw/zinc/68/59/19/535685919.db2.gz HAOFAULHFRTSQP-MRXNPFEDSA-N 0 3 345.466 2.774 20 10 EFCDHN CC[C@@H](NCc1ccc(N(C)C)cc1)c1cccc(S(N)(=O)=O)c1 ZINC000193503712 535805917 /nfs/dbraw/zinc/80/59/17/535805917.db2.gz NKBUCKFWAMDGSY-GOSISDBHSA-N 0 3 347.484 2.641 20 10 EFCDHN COc1ccc(N2CCCN(C[C@@H]3CC4(CCC4)C(=O)O3)CC2)cc1 ZINC000191954505 536671542 /nfs/dbraw/zinc/67/15/42/536671542.db2.gz ZWYSPMBIVQEOTN-SFHVURJKSA-N 0 3 344.455 2.693 20 10 EFCDHN COc1ccc(N2CCCN(C[C@@](C)(O)C(F)(F)F)CC2)cc1 ZINC000366824023 536672882 /nfs/dbraw/zinc/67/28/82/536672882.db2.gz MZSJJBCGWNIVEE-OAHLLOKOSA-N 0 3 332.366 2.521 20 10 EFCDHN COC1CCN(c2ccc(CN(C)CCNC(=O)C(C)C)cc2)CC1 ZINC000296359401 536756567 /nfs/dbraw/zinc/75/65/67/536756567.db2.gz RSZJPHRMBJXWJU-UHFFFAOYSA-N 0 3 347.503 2.506 20 10 EFCDHN COC1CCN(c2ccc(CN3CC[C@@H](O)C(C)(C)C3)cc2)CC1 ZINC000295734557 536757017 /nfs/dbraw/zinc/75/70/17/536757017.db2.gz MHBDBUNAUYQRBO-LJQANCHMSA-N 0 3 332.488 2.895 20 10 EFCDHN COc1cc([O-])c(C[NH2+]C[C@H](O)c2ccc(Cl)cc2)cc1OC ZINC000293980108 536856215 /nfs/dbraw/zinc/85/62/15/536856215.db2.gz REZIMRLCQXUBES-HNNXBMFYSA-N 0 3 337.803 2.886 20 10 EFCDHN COc1cc(O)c(CN2CC[C@@](O)(c3ccc(F)cc3)C2)cc1OC ZINC000367700356 536857146 /nfs/dbraw/zinc/85/71/46/536857146.db2.gz SQABPRBGPBJAOY-IBGZPJMESA-N 0 3 347.386 2.642 20 10 EFCDHN COc1cc([O-])c(C[N@@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)cc1OC ZINC000367700356 536857150 /nfs/dbraw/zinc/85/71/50/536857150.db2.gz SQABPRBGPBJAOY-IBGZPJMESA-N 0 3 347.386 2.642 20 10 EFCDHN COc1cc([O-])c(C[N@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)cc1OC ZINC000367700356 536857152 /nfs/dbraw/zinc/85/71/52/536857152.db2.gz SQABPRBGPBJAOY-IBGZPJMESA-N 0 3 347.386 2.642 20 10 EFCDHN COC(=O)[C@@H]1C[N@H+](Cc2c([O-])ccc3ccc(OC)cc32)C[C@H]1C ZINC000755919441 575656073 /nfs/dbraw/zinc/65/60/73/575656073.db2.gz DSMRIFJXSKRUFD-MLGOLLRUSA-N 0 3 329.396 2.795 20 10 EFCDHN COC(=O)[C@@H]1C[N@@H+](Cc2c([O-])ccc3ccc(OC)cc32)C[C@H]1C ZINC000755919441 575656077 /nfs/dbraw/zinc/65/60/77/575656077.db2.gz DSMRIFJXSKRUFD-MLGOLLRUSA-N 0 3 329.396 2.795 20 10 EFCDHN COc1cccc(CN[C@@H]2CCN(c3c(F)cccc3F)C2=O)c1O ZINC000756148892 575693263 /nfs/dbraw/zinc/69/32/63/575693263.db2.gz HBFUACBZFGHYRA-CQSZACIVSA-N 0 3 348.349 2.574 20 10 EFCDHN C[C@@H]1C[C@@H]([NH2+]CCc2nnc3ccccn32)c2c1c(F)ccc2[O-] ZINC000756365154 575723739 /nfs/dbraw/zinc/72/37/39/575723739.db2.gz XHQJYCOFBVUGNV-DGCLKSJQSA-N 0 3 326.375 2.955 20 10 EFCDHN C[C@H]1C[C@H]([NH2+]CC(C)(C)N2CCN(C)CC2)c2c1c(F)ccc2[O-] ZINC000756400031 575731279 /nfs/dbraw/zinc/73/12/79/575731279.db2.gz UHHYGYUYNVYSRC-ZFWWWQNUSA-N 0 3 335.467 2.695 20 10 EFCDHN CCN1CCN(CCC[NH2+][C@@H]2C[C@H](C)c3c2c([O-])ccc3F)CC1 ZINC000756408614 575732639 /nfs/dbraw/zinc/73/26/39/575732639.db2.gz QDSYHLLYMQQEHM-GOEBONIOSA-N 0 3 335.467 2.697 20 10 EFCDHN C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-n3cncn3)nc2)c2c1c(F)ccc2[O-] ZINC000756430975 575738116 /nfs/dbraw/zinc/73/81/16/575738116.db2.gz LISXHADYMCIJRB-BXUZGUMPSA-N 0 3 339.374 2.845 20 10 EFCDHN CNC(=O)COc1cccc(C[NH2+][C@@H](C)c2ccc(C)c(C)c2[O-])c1 ZINC000756434308 575738477 /nfs/dbraw/zinc/73/84/77/575738477.db2.gz LHGFAKVTANANDN-HNNXBMFYSA-N 0 3 342.439 2.985 20 10 EFCDHN CNC(=O)COc1cccc(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])c1 ZINC000756433619 575738482 /nfs/dbraw/zinc/73/84/82/575738482.db2.gz FIZMEJPHUDQBIV-LBPRGKRZSA-N 0 3 332.375 2.507 20 10 EFCDHN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@H](C)CN2CCCCC2)c1 ZINC000756435130 575738982 /nfs/dbraw/zinc/73/89/82/575738982.db2.gz WJQIHTPIRYQYBF-LSDHHAIUSA-N 0 3 334.460 2.951 20 10 EFCDHN Cc1ccc([C@H](C)N[C@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)c(O)c1C ZINC000756839044 575790779 /nfs/dbraw/zinc/79/07/79/575790779.db2.gz PTSGWRMMULNUNB-JDFRZJQESA-N 0 3 342.443 2.587 20 10 EFCDHN [O-]c1cc2c(cc1C[NH2+][C@@H]1CC[C@@H]3SCCS[C@H]13)OCO2 ZINC000762616750 576318302 /nfs/dbraw/zinc/31/83/02/576318302.db2.gz RWHJUKROKHWIJX-WKPIXPDZSA-N 0 3 325.455 2.590 20 10 EFCDHN [O-]c1cc2c(cc1C[NH2+][C@@H]1CC[C@H]3SCCS[C@@H]13)OCO2 ZINC000762616189 576318363 /nfs/dbraw/zinc/31/83/63/576318363.db2.gz RWHJUKROKHWIJX-KMUNFCNLSA-N 0 3 325.455 2.590 20 10 EFCDHN COc1ccc([O-])c(C[NH2+]C[C@@]2(CO)C[C@H]2c2ccc(F)cc2)c1 ZINC000763444511 576377582 /nfs/dbraw/zinc/37/75/82/576377582.db2.gz PDAJXUWEVKZEMU-PKOBYXMFSA-N 0 3 331.387 2.796 20 10 EFCDHN C[C@H](NC[C@@](C)(O)C1CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000765937477 577090144 /nfs/dbraw/zinc/09/01/44/577090144.db2.gz VPRJWBWHNLNXDY-SCLBCKFNSA-N 0 3 338.879 2.988 20 10 EFCDHN CCOc1ccc(C[NH2+]CCOCC(F)(F)C(F)F)c([O-])c1 ZINC000766223768 577123663 /nfs/dbraw/zinc/12/36/63/577123663.db2.gz JMRVQPNUHPIXPV-UHFFFAOYSA-N 0 3 325.302 2.798 20 10 EFCDHN CC(C)[C@@H](CO)N[C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000766503463 577158894 /nfs/dbraw/zinc/15/88/94/577158894.db2.gz ZJRSSMYGGYKQKI-SUMWQHHRSA-N 0 3 326.868 2.844 20 10 EFCDHN CN(C)c1ccc(CNC(=O)NCCN2CCCC(C)(C)C2)cc1 ZINC000766854237 577185066 /nfs/dbraw/zinc/18/50/66/577185066.db2.gz GFNNUGJQNWHGAK-UHFFFAOYSA-N 0 3 332.492 2.674 20 10 EFCDHN CN1CCN([C@@H](C[NH2+]Cc2ccccc2[O-])c2cccs2)CC1 ZINC000725841372 577243579 /nfs/dbraw/zinc/24/35/79/577243579.db2.gz CWKMUHFOYJHSCH-INIZCTEOSA-N 0 3 331.485 2.532 20 10 EFCDHN CCOc1ccc([O-])c(C[NH2+]C2CCN(C(=O)C(C)(C)C)CC2)c1 ZINC000725845974 577246845 /nfs/dbraw/zinc/24/68/45/577246845.db2.gz OTTIEQQLQXWVKQ-UHFFFAOYSA-N 0 3 334.460 2.918 20 10 EFCDHN COc1ccc(C[NH2+]Cc2ccc(C(=O)N3CCCC3)cc2)c([O-])c1 ZINC000725848552 577248525 /nfs/dbraw/zinc/24/85/25/577248525.db2.gz XEVAHWPJNWZSAU-UHFFFAOYSA-N 0 3 340.423 2.927 20 10 EFCDHN C[N@H+](CCCOc1ccccc1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768438648 577273568 /nfs/dbraw/zinc/27/35/68/577273568.db2.gz DEEJGMCQMLCLDY-GOSISDBHSA-N 0 3 329.396 2.719 20 10 EFCDHN C[N@@H+](CCCOc1ccccc1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768438648 577273569 /nfs/dbraw/zinc/27/35/69/577273569.db2.gz DEEJGMCQMLCLDY-GOSISDBHSA-N 0 3 329.396 2.719 20 10 EFCDHN C[C@@H](C(=O)NCc1ccc2c(c1)CCCN2C)N1[C@H](C)CC[C@H]1C ZINC000725893716 577273592 /nfs/dbraw/zinc/27/35/92/577273592.db2.gz SXQCGZRVFUOMFF-OAGGEKHMSA-N 0 3 329.488 2.947 20 10 EFCDHN [O-]c1cc2c(cc1CN1CC[NH+](CC3CCCCC3)CC1)[C@@H](O)CO2 ZINC000768440638 577273722 /nfs/dbraw/zinc/27/37/22/577273722.db2.gz SDSMKKLUZDWTFE-IBGZPJMESA-N 0 3 346.471 2.516 20 10 EFCDHN COc1ccc(CCC[N@H+](C)Cc2cc3c(cc2[O-])OC[C@@H]3O)cc1 ZINC000768442748 577273974 /nfs/dbraw/zinc/27/39/74/577273974.db2.gz NQICOMKIBLZCCK-IBGZPJMESA-N 0 3 343.423 2.891 20 10 EFCDHN COc1ccc(CCC[N@@H+](C)Cc2cc3c(cc2[O-])OC[C@@H]3O)cc1 ZINC000768442748 577273975 /nfs/dbraw/zinc/27/39/75/577273975.db2.gz NQICOMKIBLZCCK-IBGZPJMESA-N 0 3 343.423 2.891 20 10 EFCDHN [O-]c1cc2c(cc1C[NH+]1CCC(OC3CCCC3)CC1)[C@H](O)CO2 ZINC000768445164 577274105 /nfs/dbraw/zinc/27/41/05/577274105.db2.gz QIJJDNKQHGAGRT-GOSISDBHSA-N 0 3 333.428 2.742 20 10 EFCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@H](Cc3ccccc3)C1)[C@@H](O)CO2 ZINC000768449263 577274708 /nfs/dbraw/zinc/27/47/08/577274708.db2.gz YZTDWXQAEUELLE-KXBFYZLASA-N 0 3 325.408 2.883 20 10 EFCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@@H](Cc3ccccc3)C1)[C@@H](O)CO2 ZINC000768449263 577274711 /nfs/dbraw/zinc/27/47/11/577274711.db2.gz YZTDWXQAEUELLE-KXBFYZLASA-N 0 3 325.408 2.883 20 10 EFCDHN COc1ccccc1[C@@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768448333 577274863 /nfs/dbraw/zinc/27/48/63/577274863.db2.gz UMMUVAWGJLRVJU-ACJLOTCBSA-N 0 3 341.407 2.816 20 10 EFCDHN COc1ccccc1[C@@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768448333 577274864 /nfs/dbraw/zinc/27/48/64/577274864.db2.gz UMMUVAWGJLRVJU-ACJLOTCBSA-N 0 3 341.407 2.816 20 10 EFCDHN [O-]c1cc2c(cc1C[N@@H+]1CCCO[C@H](c3ccccc3)C1)[C@@H](O)CO2 ZINC000768453435 577275244 /nfs/dbraw/zinc/27/52/44/577275244.db2.gz XHJQZURMYMBWCM-ICSRJNTNSA-N 0 3 341.407 2.782 20 10 EFCDHN [O-]c1cc2c(cc1C[N@H+]1CCCO[C@H](c3ccccc3)C1)[C@@H](O)CO2 ZINC000768453435 577275246 /nfs/dbraw/zinc/27/52/46/577275246.db2.gz XHJQZURMYMBWCM-ICSRJNTNSA-N 0 3 341.407 2.782 20 10 EFCDHN CN(C)c1cccc(C[N@H+](C)Cc2cc3c(cc2[O-])OC[C@H]3O)c1 ZINC000768462479 577275578 /nfs/dbraw/zinc/27/55/78/577275578.db2.gz LVLLZRUDNIWXGN-GOSISDBHSA-N 0 3 328.412 2.516 20 10 EFCDHN CN(C)c1cccc(C[N@@H+](C)Cc2cc3c(cc2[O-])OC[C@H]3O)c1 ZINC000768462479 577275580 /nfs/dbraw/zinc/27/55/80/577275580.db2.gz LVLLZRUDNIWXGN-GOSISDBHSA-N 0 3 328.412 2.516 20 10 EFCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@H](c3ccc(F)cc3)C1)[C@@H](O)CO2 ZINC000768463403 577275928 /nfs/dbraw/zinc/27/59/28/577275928.db2.gz IEYYJCNZIHRDNK-ACJLOTCBSA-N 0 3 329.371 2.947 20 10 EFCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@@H](c3ccc(F)cc3)C1)[C@@H](O)CO2 ZINC000768463403 577275931 /nfs/dbraw/zinc/27/59/31/577275931.db2.gz IEYYJCNZIHRDNK-ACJLOTCBSA-N 0 3 329.371 2.947 20 10 EFCDHN COC(=O)[C@H](C)CN(C)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000768880796 577313598 /nfs/dbraw/zinc/31/35/98/577313598.db2.gz IHIQEEGLYYNXDX-CQSZACIVSA-N 0 3 349.431 2.826 20 10 EFCDHN COc1cccc([O-])c1C[NH+]1CCC(CC(=O)N2CCCC2)CC1 ZINC000768894868 577314944 /nfs/dbraw/zinc/31/49/44/577314944.db2.gz LTVTUDWBADZGIU-UHFFFAOYSA-N 0 3 332.444 2.625 20 10 EFCDHN C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(Cc2cc3c(cc2[O-])OCO3)C1 ZINC000768913544 577315858 /nfs/dbraw/zinc/31/58/58/577315858.db2.gz LCMLMIUUZIYHGG-IJEWVQPXSA-N 0 3 332.444 2.958 20 10 EFCDHN C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(Cc2cc3c(cc2[O-])OCO3)C1 ZINC000768913544 577315860 /nfs/dbraw/zinc/31/58/60/577315860.db2.gz LCMLMIUUZIYHGG-IJEWVQPXSA-N 0 3 332.444 2.958 20 10 EFCDHN CCOc1ccc(CN2CC[C@H](NC(=O)OC(C)(C)C)C2)c(O)c1 ZINC000769060769 577329533 /nfs/dbraw/zinc/32/95/33/577329533.db2.gz BYDLXVVYNLLLPD-AWEZNQCLSA-N 0 3 336.432 2.890 20 10 EFCDHN CCOc1ccc(C[N@@H+]2CCC[C@H]2CN2C[C@@H](C)O[C@@H](C)C2)c([O-])c1 ZINC000769106979 577334796 /nfs/dbraw/zinc/33/47/96/577334796.db2.gz HZVVLEJCRLUIDA-JZXOWHBKSA-N 0 3 348.487 2.865 20 10 EFCDHN CCOc1ccc(C[N@H+]2CCC[C@H]2CN2C[C@@H](C)O[C@@H](C)C2)c([O-])c1 ZINC000769106979 577334797 /nfs/dbraw/zinc/33/47/97/577334797.db2.gz HZVVLEJCRLUIDA-JZXOWHBKSA-N 0 3 348.487 2.865 20 10 EFCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000769194519 577343667 /nfs/dbraw/zinc/34/36/67/577343667.db2.gz HEAGGMBMRWVOFR-ZDUSSCGKSA-N 0 3 336.432 2.747 20 10 EFCDHN COc1cccc([O-])c1C[N@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000769194519 577343668 /nfs/dbraw/zinc/34/36/68/577343668.db2.gz HEAGGMBMRWVOFR-ZDUSSCGKSA-N 0 3 336.432 2.747 20 10 EFCDHN CCN(CC)c1ccc(CN2CCN([C@H]3CCC[C@@H]3O)CC2)cc1 ZINC000769328477 577352442 /nfs/dbraw/zinc/35/24/42/577352442.db2.gz PUCRXZORVNAIPP-PMACEKPBSA-N 0 3 331.504 2.564 20 10 EFCDHN CCN(CC)c1ccc(CN2CCN([C@@H]3CCC[C@@H]3O)CC2)cc1F ZINC000769330411 577352612 /nfs/dbraw/zinc/35/26/12/577352612.db2.gz WMBUKJAHOWQIBN-UXHICEINSA-N 0 3 349.494 2.703 20 10 EFCDHN Cc1ccc([O-])c(C[N@H+](C)CCN2CCN(c3ccccc3)CC2)c1 ZINC000769466968 577364605 /nfs/dbraw/zinc/36/46/05/577364605.db2.gz RGWSJKLPSOIGMK-UHFFFAOYSA-N 0 3 339.483 2.955 20 10 EFCDHN Cc1ccc([O-])c(C[N@@H+](C)CCN2CCN(c3ccccc3)CC2)c1 ZINC000769466968 577364606 /nfs/dbraw/zinc/36/46/06/577364606.db2.gz RGWSJKLPSOIGMK-UHFFFAOYSA-N 0 3 339.483 2.955 20 10 EFCDHN CC[NH+](CC)CCO[C@H]1CCN(Cc2c([O-])cccc2Cl)C1 ZINC000769513608 577368962 /nfs/dbraw/zinc/36/89/62/577368962.db2.gz CXLSCKAOWFVVKW-AWEZNQCLSA-N 0 3 326.868 2.978 20 10 EFCDHN CCN(CC)c1ccc(CNC(=O)N2CCCN(CC)CC2)cc1 ZINC000769609694 577375098 /nfs/dbraw/zinc/37/50/98/577375098.db2.gz AYBQHLMRFPSWBG-UHFFFAOYSA-N 0 3 332.492 2.770 20 10 EFCDHN COc1cc(Br)cc(C[NH2+][C@H]2CCO[C@@H](C)C2)c1[O-] ZINC000769710551 577380121 /nfs/dbraw/zinc/38/01/21/577380121.db2.gz NAKNHFBUXHCCIC-CABZTGNLSA-N 0 3 330.222 2.820 20 10 EFCDHN C[C@@H]([NH2+]Cc1cc(-c2ccccc2)ccc1[O-])[C@@H]1CN(C)CCO1 ZINC000769933869 577394024 /nfs/dbraw/zinc/39/40/24/577394024.db2.gz JRLSFZUHDXXVNI-QRWLVFNGSA-N 0 3 326.440 2.868 20 10 EFCDHN CC[C@H]1CN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C[C@H]1O ZINC000770381831 577414031 /nfs/dbraw/zinc/41/40/31/577414031.db2.gz QECQYWMHKPDKIM-MAUKXSAKSA-N 0 3 333.432 2.788 20 10 EFCDHN COc1cccc(O)c1CNc1ccc(CN2CCC(O)CC2)cc1 ZINC000770412824 577416515 /nfs/dbraw/zinc/41/65/15/577416515.db2.gz YFMOCFSQNGBRGR-UHFFFAOYSA-N 0 3 342.439 2.970 20 10 EFCDHN CN1CCN(c2ccc(CN[C@H](CCO)c3ccccc3)cc2)CC1 ZINC000771842299 581249639 /nfs/dbraw/zinc/24/96/39/581249639.db2.gz MEYVHILXXGIKTI-OAQYLSRUSA-N 0 3 339.483 2.652 20 10 EFCDHN COC[C@H](NCc1ccc(N2CCN(C)CC2)cc1)c1ccc(C)o1 ZINC000771843459 581249927 /nfs/dbraw/zinc/24/99/27/581249927.db2.gz PZSYEQITAOVQBN-IBGZPJMESA-N 0 3 343.471 2.817 20 10 EFCDHN CN1CCN(c2ccc(CNC(C)(C)c3nccs3)cc2)CC1 ZINC000771844124 581249996 /nfs/dbraw/zinc/24/99/96/581249996.db2.gz WCYJPJUZOSETRE-UHFFFAOYSA-N 0 3 330.501 2.920 20 10 EFCDHN C[C@@H](NC(=O)N[C@H]1CCN(CC2CC2)C1)c1ccc(N(C)C)cc1 ZINC000773314602 581417401 /nfs/dbraw/zinc/41/74/01/581417401.db2.gz KMAYBVYSBGUDQC-PBHICJAKSA-N 0 3 330.476 2.597 20 10 EFCDHN C[C@H](NC(=O)N[C@@H](C)C1=CCN(C)CC1)c1ccc(N(C)C)cc1 ZINC000773434748 581430537 /nfs/dbraw/zinc/43/05/37/581430537.db2.gz BXEUHAKYMRQODR-GJZGRUSLSA-N 0 3 330.476 2.763 20 10 EFCDHN CCN(C)c1ccc(CN2CCC(C(=O)NCCCOC)CC2)cc1 ZINC000773748122 581460824 /nfs/dbraw/zinc/46/08/24/581460824.db2.gz WMPQELRPTOFMNC-UHFFFAOYSA-N 0 3 347.503 2.507 20 10 EFCDHN CCO[C@@H]1C[C@@H](O)C12CCN(Cc1ccc(N(C)CC)cc1)CC2 ZINC000773752660 581461432 /nfs/dbraw/zinc/46/14/32/581461432.db2.gz IRKPUJJVYWQEED-RTBURBONSA-N 0 3 332.488 2.895 20 10 EFCDHN COC[C@@H](C)OC[C@@H](O)C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000773758744 581462399 /nfs/dbraw/zinc/46/23/99/581462399.db2.gz XSUXDUBAQHFHLE-QAPCUYQASA-N 0 3 337.460 2.549 20 10 EFCDHN COC[C@@H](C)OC[C@@H](O)C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000773758744 581462401 /nfs/dbraw/zinc/46/24/01/581462401.db2.gz XSUXDUBAQHFHLE-QAPCUYQASA-N 0 3 337.460 2.549 20 10 EFCDHN C[C@H]([NH2+]CCOCCN(C)C)c1cc(Br)cc(F)c1[O-] ZINC000774381327 581490573 /nfs/dbraw/zinc/49/05/73/581490573.db2.gz LYDOYWIJRJTNFZ-JTQLQIEISA-N 0 3 349.244 2.523 20 10 EFCDHN CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736559471 598406168 /nfs/dbraw/zinc/40/61/68/598406168.db2.gz XHTPWYZANFEUMZ-UHFFFAOYSA-N 0 3 336.443 2.955 20 10 EFCDHN CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736559471 598406169 /nfs/dbraw/zinc/40/61/69/598406169.db2.gz XHTPWYZANFEUMZ-UHFFFAOYSA-N 0 3 336.443 2.955 20 10 EFCDHN CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736559471 598406170 /nfs/dbraw/zinc/40/61/70/598406170.db2.gz XHTPWYZANFEUMZ-UHFFFAOYSA-N 0 3 336.443 2.955 20 10 EFCDHN CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736559471 598406171 /nfs/dbraw/zinc/40/61/71/598406171.db2.gz XHTPWYZANFEUMZ-UHFFFAOYSA-N 0 3 336.443 2.955 20 10 EFCDHN C[C@@H](NCc1cnc2n1CCC2)c1ccc(N2CCOCC2)cc1 ZINC000850076870 1250266115 /nfs/dbraw/zinc/26/61/15/1250266115.db2.gz FKDNGUGWJVIWBH-OAHLLOKOSA-N 0 3 326.444 2.517 20 10 EFCDHN CCS(=O)(=O)C[C@@H](C)NCc1cc(OC)cc(C(C)(C)C)c1O ZINC000850135545 1250306730 /nfs/dbraw/zinc/30/67/30/1250306730.db2.gz NZYJLZMNHQCMLJ-GFCCVEGCSA-N 0 3 343.489 2.611 20 10 EFCDHN COc1cc(Br)cc(C[NH2+]C[C@H](CO)CC2CC2)c1[O-] ZINC000850389063 1250462276 /nfs/dbraw/zinc/46/22/76/1250462276.db2.gz SQSJLQTZHPPWGZ-LLVKDONJSA-N 0 3 344.249 2.662 20 10 EFCDHN OC1CCN(c2ccc(CNCc3cnn4ccccc34)cc2)CC1 ZINC000850406227 1250469923 /nfs/dbraw/zinc/46/99/23/1250469923.db2.gz XXBLPHQUGWZEDA-UHFFFAOYSA-N 0 3 336.439 2.585 20 10 EFCDHN OCC1CCN(c2ccc(CN[C@@H]3CCCn4nccc43)cc2)CC1 ZINC000850426230 1250481216 /nfs/dbraw/zinc/48/12/16/1250481216.db2.gz BROKVDIBSWAFCC-LJQANCHMSA-N 0 3 340.471 2.717 20 10 EFCDHN C[C@H]([NH2+]CC1(S(C)(=O)=O)CCCCC1)c1cc(F)ccc1[O-] ZINC000850531007 1250525364 /nfs/dbraw/zinc/52/53/64/1250525364.db2.gz GCERCVMQHGWWHM-LBPRGKRZSA-N 0 3 329.437 2.929 20 10 EFCDHN Cc1nn(C)cc1[C@@H](C)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000850566653 1250539016 /nfs/dbraw/zinc/53/90/16/1250539016.db2.gz QLJOZDUMRZXOEN-CQSZACIVSA-N 0 3 328.460 2.540 20 10 EFCDHN COc1ccc(N2CC[C@H](NC(=O)[C@H](N)CC3CCCCC3)C2)cc1 ZINC000851639611 1251162708 /nfs/dbraw/zinc/16/27/08/1251162708.db2.gz ICGBJKQQVBBADU-QFBILLFUSA-N 0 3 345.487 2.688 20 10 EFCDHN C[C@@H]([NH2+]CCNC(=O)c1c(F)cccc1F)c1cc(F)ccc1[O-] ZINC000186025186 1253961447 /nfs/dbraw/zinc/96/14/47/1253961447.db2.gz UUWMTHCGKPCXKU-SNVBAGLBSA-N 0 3 338.329 2.890 20 10 EFCDHN COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)OC(C)(C)C)c([O-])c1 ZINC000378883460 1266392076 /nfs/dbraw/zinc/39/20/76/1266392076.db2.gz JPPOZKDZUJZXLD-AWEZNQCLSA-N 0 3 336.432 2.890 20 10 EFCDHN CCCCN1CCC2(CCN(Cc3ccc(O)c(O)c3)CC2)C1=O ZINC001272902341 1261293058 /nfs/dbraw/zinc/29/30/58/1261293058.db2.gz CQCRQXWMAKRZQC-UHFFFAOYSA-N 0 3 332.444 2.712 20 10 EFCDHN CN1c2ccccc2C2(CCN(Cc3ccc(O)c(O)c3)CC2)C1=O ZINC001272902874 1261295004 /nfs/dbraw/zinc/29/50/04/1261295004.db2.gz IPSJTKWCPLSTCY-UHFFFAOYSA-N 0 3 338.407 2.608 20 10 EFCDHN CS(=O)(=O)Cc1ccccc1CNCc1ccc2c(c1)CCCO2 ZINC000921815147 1261811212 /nfs/dbraw/zinc/81/12/12/1261811212.db2.gz GJQARXHQGOFTDX-UHFFFAOYSA-N 0 3 345.464 2.846 20 10 EFCDHN CC[C@@H](C)CN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001032809701 1261908566 /nfs/dbraw/zinc/90/85/66/1261908566.db2.gz DWEUBZRPJASAFD-KCXAZCMYSA-N 0 3 343.431 2.794 20 10 EFCDHN CC[C@H](C)CN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001032809703 1261909110 /nfs/dbraw/zinc/90/91/10/1261909110.db2.gz DWEUBZRPJASAFD-RCBQFDQVSA-N 0 3 343.431 2.794 20 10 EFCDHN NC(=O)N=Nc1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3CCC2CC2)cc1 ZINC001032809138 1261918114 /nfs/dbraw/zinc/91/81/14/1261918114.db2.gz BWEXUQNJPHBDPO-HOTGVXAUSA-N 0 3 341.415 2.548 20 10 EFCDHN NC(=O)N=Nc1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3CC2CCC2)cc1 ZINC001032810210 1261962992 /nfs/dbraw/zinc/96/29/92/1261962992.db2.gz WOOCSKCWMLOMSO-HOTGVXAUSA-N 0 3 341.415 2.548 20 10 EFCDHN Cn1cc(CN2CC[NH+](Cc3c([O-])ccc4ccccc43)CC2)cn1 ZINC000729989806 1264143300 /nfs/dbraw/zinc/14/33/00/1264143300.db2.gz YWYGLWWTZXOHQY-UHFFFAOYSA-N 0 3 336.439 2.597 20 10 EFCDHN COc1cc(Br)cc(C[NH2+][C@@H](C)CCCCO)c1[O-] ZINC000824654778 1278218122 /nfs/dbraw/zinc/21/81/22/1278218122.db2.gz QKNDDRAIGSQUKM-JTQLQIEISA-N 0 3 332.238 2.804 20 10 EFCDHN Cc1ccc(CNCc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1 ZINC000733330730 1265172459 /nfs/dbraw/zinc/17/24/59/1265172459.db2.gz KPLCJQOWBWTSCR-UHFFFAOYSA-N 0 3 344.480 2.520 20 10 EFCDHN Cc1ccccc1CNCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000733330551 1265172731 /nfs/dbraw/zinc/17/27/31/1265172731.db2.gz BEUVNLKYTKPWLI-UHFFFAOYSA-N 0 3 344.480 2.520 20 10 EFCDHN CN(Cc1ccc(N2CCOCC2)c(F)c1)[C@H](CO)c1ccccc1 ZINC000824696541 1278252240 /nfs/dbraw/zinc/25/22/40/1278252240.db2.gz OQHXEHKETRYHMK-HXUWFJFHSA-N 0 3 344.430 2.828 20 10 EFCDHN CCOc1ccc(C[NH2+]CCc2ccccc2S(C)(=O)=O)c([O-])c1 ZINC000922677404 1266581607 /nfs/dbraw/zinc/58/16/07/1266581607.db2.gz QXOBBWLYDPYNCZ-UHFFFAOYSA-N 0 3 349.452 2.527 20 10 EFCDHN COc1cc(CN(C)CCN2CCCC2=O)c(O)c(C(C)(C)C)c1 ZINC000824776249 1278279120 /nfs/dbraw/zinc/27/91/20/1278279120.db2.gz GQENYRYPKDZFOF-UHFFFAOYSA-N 0 3 334.460 2.753 20 10 EFCDHN Cc1cc(N(C)C)ccc1CNCc1ccc(S(C)(=O)=O)cc1 ZINC000734511860 1266998629 /nfs/dbraw/zinc/99/86/29/1266998629.db2.gz KDOOPHLPINIIPG-UHFFFAOYSA-N 0 3 332.469 2.754 20 10 EFCDHN CO[C@@H]1CCN(Cc2ccc(N3CCOCC3)c(F)c2)CC1(C)C ZINC000824821165 1278305525 /nfs/dbraw/zinc/30/55/25/1278305525.db2.gz VSXMQVPPDAEPNK-GOSISDBHSA-N 0 3 336.451 2.909 20 10 EFCDHN COc1ccc(O)c([C@H](C)NCc2cccc(S(C)(=O)=O)c2)c1 ZINC000824789921 1278308102 /nfs/dbraw/zinc/30/81/02/1278308102.db2.gz JGZITWSGYRTZAM-LBPRGKRZSA-N 0 3 335.425 2.655 20 10 EFCDHN CCn1cc(CNCc2cc(Br)cc(OC)c2O)cn1 ZINC000735675948 1267392054 /nfs/dbraw/zinc/39/20/54/1267392054.db2.gz BTXBFINVFRGJHR-UHFFFAOYSA-N 0 3 340.221 2.670 20 10 EFCDHN COc1cc(CN2CCSC[C@@H]2CCO)c(O)c(C(C)(C)C)c1 ZINC000824919919 1278353818 /nfs/dbraw/zinc/35/38/18/1278353818.db2.gz AUYFTWMNBBSFJN-AWEZNQCLSA-N 0 3 339.501 2.998 20 10 EFCDHN Cc1cc(Br)cc(C[NH2+][C@H](C)Cc2cnn(C)c2)c1[O-] ZINC000825046245 1278395701 /nfs/dbraw/zinc/39/57/01/1278395701.db2.gz RGBZBNQWOJJYFD-LLVKDONJSA-N 0 3 338.249 2.917 20 10 EFCDHN CCC1(C[NH2+]Cc2cc(Br)cc(OC)c2[O-])COC1 ZINC000825073617 1278404735 /nfs/dbraw/zinc/40/47/35/1278404735.db2.gz WZKHUNJCPAADOB-UHFFFAOYSA-N 0 3 330.222 2.680 20 10 EFCDHN COc1cccc([O-])c1C[NH2+][C@@H]1C[C@H](OC(C)(C)C)[C@@H]1n1cccn1 ZINC000825117690 1278418056 /nfs/dbraw/zinc/41/80/56/1278418056.db2.gz JSWPXSUTPJFCLY-FHLIZLRMSA-N 0 3 345.443 2.884 20 10 EFCDHN COC[C@@]1(CO)CC[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000825158581 1278454835 /nfs/dbraw/zinc/45/48/35/1278454835.db2.gz QVUXBWYCVZBYDR-FQEVSTJZSA-N 0 3 327.424 2.890 20 10 EFCDHN COC[C@@]1(CO)CC[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000825158581 1278454841 /nfs/dbraw/zinc/45/48/41/1278454841.db2.gz QVUXBWYCVZBYDR-FQEVSTJZSA-N 0 3 327.424 2.890 20 10 EFCDHN CN(C)C(=O)N[C@@H]1CCC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000825279121 1278490868 /nfs/dbraw/zinc/49/08/68/1278490868.db2.gz OKFKUMDNLSOUOK-OAHLLOKOSA-N 0 3 327.428 2.781 20 10 EFCDHN CN(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000825279121 1278490871 /nfs/dbraw/zinc/49/08/71/1278490871.db2.gz OKFKUMDNLSOUOK-OAHLLOKOSA-N 0 3 327.428 2.781 20 10 EFCDHN COc1cc(Br)cc(C[NH2+]CCOC2CCC2)c1[O-] ZINC000742386398 1270016855 /nfs/dbraw/zinc/01/68/55/1270016855.db2.gz DBJRNGHAPLCAPF-UHFFFAOYSA-N 0 3 330.222 2.822 20 10 EFCDHN O=C1C[C@H](NCc2ccc3c(c2)CCO3)CN1[C@H]1C[C@H]1c1ccccc1 ZINC000742391077 1270017858 /nfs/dbraw/zinc/01/78/58/1270017858.db2.gz BZSZZTOIEJSGGY-UFYCRDLUSA-N 0 3 348.446 2.868 20 10 EFCDHN COc1cccc(O)c1CN1CCC(Oc2ccc(F)nc2)CC1 ZINC000792183425 1278623117 /nfs/dbraw/zinc/62/31/17/1278623117.db2.gz IOTYCFYEKINZKX-UHFFFAOYSA-N 0 3 332.375 2.978 20 10 EFCDHN COc1cccc([O-])c1C[NH+]1CCC(Oc2ccc(F)nc2)CC1 ZINC000792183425 1278623129 /nfs/dbraw/zinc/62/31/29/1278623129.db2.gz IOTYCFYEKINZKX-UHFFFAOYSA-N 0 3 332.375 2.978 20 10 EFCDHN CCCN(C)CC(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 ZINC000746172814 1271852442 /nfs/dbraw/zinc/85/24/42/1271852442.db2.gz JEBHKRBBVHMLDE-LJQANCHMSA-N 0 3 347.503 2.602 20 10 EFCDHN C[C@@H](NC(=O)CN1[C@H](C)CC[C@@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000746168357 1271873423 /nfs/dbraw/zinc/87/34/23/1271873423.db2.gz OLMUKZHGFBIVLF-IXDOHACOSA-N 0 3 345.487 2.573 20 10 EFCDHN COc1ccc(CN2CC[C@@H]([NH2+]Cc3ccccc3[O-])CC2=O)cc1 ZINC001168894645 1272464722 /nfs/dbraw/zinc/46/47/22/1272464722.db2.gz XGFPQMIGWWQLNY-QGZVFWFLSA-N 0 3 340.423 2.682 20 10 EFCDHN [O-]c1cccc(Br)c1CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000706853932 1275053381 /nfs/dbraw/zinc/05/33/81/1275053381.db2.gz NQHVVPIFFITQCG-RYUDHWBXSA-N 0 3 325.250 2.871 20 10 EFCDHN [O-]c1cccc(Br)c1CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000706853932 1275053389 /nfs/dbraw/zinc/05/33/89/1275053389.db2.gz NQHVVPIFFITQCG-RYUDHWBXSA-N 0 3 325.250 2.871 20 10 EFCDHN [O-]c1cccc(Br)c1CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000706853928 1275053946 /nfs/dbraw/zinc/05/39/46/1275053946.db2.gz NQHVVPIFFITQCG-NEPJUHHUSA-N 0 3 325.250 2.871 20 10 EFCDHN [O-]c1cccc(Br)c1CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000706853928 1275053954 /nfs/dbraw/zinc/05/39/54/1275053954.db2.gz NQHVVPIFFITQCG-NEPJUHHUSA-N 0 3 325.250 2.871 20 10 EFCDHN C[C@@H]1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)[C@H]1CO ZINC000785984225 1275266035 /nfs/dbraw/zinc/26/60/35/1275266035.db2.gz JYQMQZWEHCYZJT-KDOFPFPSSA-N 0 3 333.432 2.788 20 10 EFCDHN COc1ccc(N(C)CCN(C)C[C@H]2CC3(CCC3)C(=O)O2)cc1 ZINC000844400830 1278947964 /nfs/dbraw/zinc/94/79/64/1278947964.db2.gz FKWAYPCRHYRZJQ-QGZVFWFLSA-N 0 3 332.444 2.549 20 10 EFCDHN COC[C@@]1(CN[C@@H](C)c2cccc(C(F)(F)F)c2[O-])CCC[NH2+]1 ZINC000817975527 1276416141 /nfs/dbraw/zinc/41/61/41/1276416141.db2.gz WBQMGOLWKHILMZ-NHYWBVRUSA-N 0 3 332.366 2.830 20 10 EFCDHN CC[C@@H](NC[C@H]1CCN(c2ccc(OC)cc2)C1)c1ccn(C)n1 ZINC000818342110 1276510347 /nfs/dbraw/zinc/51/03/47/1276510347.db2.gz LSODHOGOPYJDRM-CRAIPNDOSA-N 0 3 328.460 2.996 20 10 EFCDHN COc1ccc(N2CC[C@H](CN[C@H](c3nccn3C)C3CC3)C2)cc1 ZINC000818342849 1276511614 /nfs/dbraw/zinc/51/16/14/1276511614.db2.gz VXQHEOJNKPQYBG-BEFAXECRSA-N 0 3 340.471 2.996 20 10 EFCDHN CN(C)c1ccc(CN(C)C(=O)CN2CCSC(C)(C)CC2)cc1 ZINC000789339789 1276665777 /nfs/dbraw/zinc/66/57/77/1276665777.db2.gz GOPHMVDKPHVHDZ-UHFFFAOYSA-N 0 3 349.544 2.929 20 10 EFCDHN COc1ccc(N2CC[C@H](CNC(=O)CN3[C@H](C)CC[C@@H]3C)C2)cc1 ZINC000819583839 1276826581 /nfs/dbraw/zinc/82/65/81/1276826581.db2.gz AEHXWFAVNVZVGM-IXDOHACOSA-N 0 3 345.487 2.511 20 10 EFCDHN COc1ccc(N2CC[C@@H](CNCc3cc(F)ncc3F)C2)cc1 ZINC000822494593 1289014250 /nfs/dbraw/zinc/01/42/50/1289014250.db2.gz RSTIDYQBGBEQAV-ZDUSSCGKSA-N 0 3 333.382 2.985 20 10 EFCDHN CCN(C)c1ccc(CN2[C@H]3C[C@@H](C(=O)OC)O[C@H]3CC[C@H]2C)cc1 ZINC000815112415 1287310179 /nfs/dbraw/zinc/31/01/79/1287310179.db2.gz QCXNMPKLGIAIHW-FCLVOEFKSA-N 0 3 346.471 2.826 20 10 EFCDHN COc1cccc(NC(=O)C[C@@H](C)[NH2+]Cc2ccc(OC)cc2[O-])c1 ZINC000793386371 1279614422 /nfs/dbraw/zinc/61/44/22/1279614422.db2.gz NZIMADSRSFDLRI-CYBMUJFWSA-N 0 3 344.411 2.916 20 10 EFCDHN Cc1cc([C@@H](C)NCc2ccc(N3CCC(CO)CC3)cc2)n(C)n1 ZINC000793519278 1279714335 /nfs/dbraw/zinc/71/43/35/1279714335.db2.gz BWRGOXYEQCREJZ-MRXNPFEDSA-N 0 3 342.487 2.788 20 10 EFCDHN C[C@H](O)CN1CCN(Cc2ccc(N3CCCCC3)cc2)[C@@H](C)C1 ZINC000793593255 1279761590 /nfs/dbraw/zinc/76/15/90/1279761590.db2.gz WVDPMMOFJQKEQP-ROUUACIJSA-N 0 3 331.504 2.564 20 10 EFCDHN C[C@@H](O)CN1CCN(Cc2ccc(N3CCCCC3)cc2)[C@@H](C)C1 ZINC000793593257 1279761628 /nfs/dbraw/zinc/76/16/28/1279761628.db2.gz WVDPMMOFJQKEQP-ZWKOTPCHSA-N 0 3 331.504 2.564 20 10 EFCDHN COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)[NH2+]Cc1c([O-])cccc1OC ZINC000793610067 1279772405 /nfs/dbraw/zinc/77/24/05/1279772405.db2.gz OCTZFDHSRSGAKU-ZBFHGGJFSA-N 0 3 343.423 2.911 20 10 EFCDHN COC(=O)[C@H](Cc1ccccc1)[C@H](C)[NH2+]Cc1c([O-])cccc1OC ZINC000793610060 1279772930 /nfs/dbraw/zinc/77/29/30/1279772930.db2.gz OCTZFDHSRSGAKU-GOEBONIOSA-N 0 3 343.423 2.911 20 10 EFCDHN COc1cccc([C@@H](C)N[C@H]2CCN(c3ccccc3F)C2=O)c1O ZINC000846150214 1280038745 /nfs/dbraw/zinc/03/87/45/1280038745.db2.gz BRRYRRITJYWADB-DOMZBBRYSA-N 0 3 344.386 2.996 20 10 EFCDHN COc1cccc([C@@H](C)NCc2cccc(C(=O)N(C)C)c2)c1O ZINC000846139414 1280049369 /nfs/dbraw/zinc/04/93/69/1280049369.db2.gz UJQSYNGBUUFXED-CYBMUJFWSA-N 0 3 328.412 2.953 20 10 EFCDHN COCCOc1ncccc1CN[C@H](C)c1cccc(OC)c1O ZINC000846140266 1280050044 /nfs/dbraw/zinc/05/00/44/1280050044.db2.gz LQVYHRMIWWMQGD-CYBMUJFWSA-N 0 3 332.400 2.672 20 10 EFCDHN CCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]3CN(C(C)=O)C[C@H]32)c([O-])c1 ZINC000808448205 1281715816 /nfs/dbraw/zinc/71/58/16/1281715816.db2.gz ZLENQGJKIUOKGB-KBAYOESNSA-N 0 3 332.444 2.528 20 10 EFCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CC2(CS(C)(=O)=O)CC2)c1[O-] ZINC000808706351 1281865698 /nfs/dbraw/zinc/86/56/98/1281865698.db2.gz HWMIKLQRJAACPJ-NSHDSACASA-N 0 3 331.865 2.829 20 10 EFCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCN(c3cnn(C)c3)C2=O)c1[O-] ZINC000808707771 1281868316 /nfs/dbraw/zinc/86/83/16/1281868316.db2.gz YFJINIYFENMXRX-XHDPSFHLSA-N 0 3 348.834 2.544 20 10 EFCDHN CCOc1ccc(CN2CC[C@](C(=O)OC)(C(F)(F)F)C2)c(O)c1 ZINC000809695832 1282380712 /nfs/dbraw/zinc/38/07/12/1282380712.db2.gz ABQVVSXFDMXOLU-HNNXBMFYSA-N 0 3 347.333 2.718 20 10 EFCDHN CCN1CCN(Cc2cc(Br)cc(C)c2O)[C@@H](C)C1 ZINC000809697156 1282381803 /nfs/dbraw/zinc/38/18/03/1282381803.db2.gz CMFXZNZKZSZOJS-LBPRGKRZSA-N 0 3 327.266 2.989 20 10 EFCDHN COc1cccc(CN2CCCC[C@H]2COC(=O)NC(C)C)c1O ZINC000809721498 1282425235 /nfs/dbraw/zinc/42/52/35/1282425235.db2.gz ZBIDPGYOLUNJOU-HNNXBMFYSA-N 0 3 336.432 2.890 20 10 EFCDHN CN(Cc1ccc(O)cc1)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000809753390 1282454686 /nfs/dbraw/zinc/45/46/86/1282454686.db2.gz HMANECLFMHESMI-UHFFFAOYSA-N 0 3 330.403 3.000 20 10 EFCDHN COc1cc(Br)cc(C[NH2+][C@@H](C)CN(C)C(C)C)c1[O-] ZINC000810163500 1282999923 /nfs/dbraw/zinc/99/99/23/1282999923.db2.gz WHCIRAUGCBUSRF-NSHDSACASA-N 0 3 345.281 2.982 20 10 EFCDHN COc1cc(Br)cc(C[NH2+][C@@H](CO)C2CCCC2)c1[O-] ZINC000810177586 1283008276 /nfs/dbraw/zinc/00/82/76/1283008276.db2.gz AVBVIUHAOYNBFT-ZDUSSCGKSA-N 0 3 344.249 2.804 20 10 EFCDHN COc1ccc(N2CCC(NCc3ncccc3N(C)C)CC2)cc1 ZINC000810247777 1283100611 /nfs/dbraw/zinc/10/06/11/1283100611.db2.gz PPQCABNLPUKRDS-UHFFFAOYSA-N 0 3 340.471 2.915 20 10 EFCDHN CCC[N@H+](CC)C[C@H](C)NCc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000811520226 1284370076 /nfs/dbraw/zinc/37/00/76/1284370076.db2.gz LNJFDHAVWUNEPQ-LBPRGKRZSA-N 0 3 325.409 2.519 20 10 EFCDHN CCC[N@@H+](CC)C[C@H](C)NCc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000811520226 1284370083 /nfs/dbraw/zinc/37/00/83/1284370083.db2.gz LNJFDHAVWUNEPQ-LBPRGKRZSA-N 0 3 325.409 2.519 20 10 EFCDHN COc1ccc(O)c(CN2CCCC[C@@H]2COC(=O)NC2CC2)c1 ZINC000811511953 1284389730 /nfs/dbraw/zinc/38/97/30/1284389730.db2.gz YIDNQYTWFUVVQG-OAHLLOKOSA-N 0 3 334.416 2.644 20 10 EFCDHN CCOc1ccc(C[N@@H+]2CC[C@@](CO)(c3ccccc3)C2)c([O-])c1 ZINC000812781784 1285414772 /nfs/dbraw/zinc/41/47/72/1285414772.db2.gz FWPYQGVPYGXSAW-HXUWFJFHSA-N 0 3 327.424 2.927 20 10 EFCDHN CCOc1ccc(C[N@H+]2CC[C@@](CO)(c3ccccc3)C2)c([O-])c1 ZINC000812781784 1285414784 /nfs/dbraw/zinc/41/47/84/1285414784.db2.gz FWPYQGVPYGXSAW-HXUWFJFHSA-N 0 3 327.424 2.927 20 10 EFCDHN CN(C)C[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1ccc(F)cc1 ZINC000813617897 1286026231 /nfs/dbraw/zinc/02/62/31/1286026231.db2.gz FECWNYMPWNSEGQ-AGHZKPIHSA-N 0 3 344.386 2.669 20 10 EFCDHN CCOc1ccc(N2CCN([C@@H]3CCC[C@H](C(=O)OC)C3)CC2)cc1 ZINC001172638848 1286215497 /nfs/dbraw/zinc/21/54/97/1286215497.db2.gz ZBOPQQCXJOGIMC-FUHWJXTLSA-N 0 3 346.471 2.939 20 10 EFCDHN CCOc1ccc(N2CCN([C@H]3CCC[C@H](C(=O)OC)C3)CC2)cc1 ZINC001172638852 1286216032 /nfs/dbraw/zinc/21/60/32/1286216032.db2.gz ZBOPQQCXJOGIMC-WMZOPIPTSA-N 0 3 346.471 2.939 20 10 EFCDHN Cn1cc(CN2CC[NH+](Cc3ccc4ccccc4c3[O-])CC2)cn1 ZINC000816502061 1288172937 /nfs/dbraw/zinc/17/29/37/1288172937.db2.gz MIKNDKLNWKAFCJ-UHFFFAOYSA-N 0 3 336.439 2.597 20 10 EFCDHN CN(C)c1ccc(CNCc2ccc3c(c2)oc(=O)n3C)cc1F ZINC000816543612 1288197318 /nfs/dbraw/zinc/19/73/18/1288197318.db2.gz HWJVWOXUMSENOJ-UHFFFAOYSA-N 0 3 329.375 2.626 20 10 EFCDHN C[N@H+](Cc1ccc(CN2CCOCC2)cc1)Cc1ccccc1[O-] ZINC000817276242 1288520346 /nfs/dbraw/zinc/52/03/46/1288520346.db2.gz WHNJQWQVIDPPDF-UHFFFAOYSA-N 0 3 326.440 2.856 20 10 EFCDHN C[N@@H+](Cc1ccc(CN2CCOCC2)cc1)Cc1ccccc1[O-] ZINC000817276242 1288520352 /nfs/dbraw/zinc/52/03/52/1288520352.db2.gz WHNJQWQVIDPPDF-UHFFFAOYSA-N 0 3 326.440 2.856 20 10 EFCDHN COc1cc(Cl)cc(C[NH2+][C@H](C)C2(OC)CCOCC2)c1[O-] ZINC000817420671 1288595391 /nfs/dbraw/zinc/59/53/91/1288595391.db2.gz XFYQYVMYQXZAKL-LLVKDONJSA-N 0 3 329.824 2.728 20 10 EFCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CC2(CC(N)=O)CC2)c1[O-] ZINC000817586221 1288664489 /nfs/dbraw/zinc/66/44/89/1288664489.db2.gz MMRDGNBADOIAHV-JTQLQIEISA-N 0 3 341.249 2.769 20 10 EFCDHN COC(=O)c1c(CN2CCCC[C@@](O)(CF)C2)c2ccccc2n1C ZINC001232401720 1312693783 /nfs/dbraw/zinc/69/37/83/1312693783.db2.gz CIJUJHKKHLNYQH-LJQANCHMSA-N 0 3 348.418 2.651 20 10 EFCDHN COc1ccc(N2CC[C@@H](CNC(=O)[C@@H]3CCCN3C(C)C)C2)cc1 ZINC000823201783 1289240761 /nfs/dbraw/zinc/24/07/61/1289240761.db2.gz JPRJGFTWDCPPRL-LPHOPBHVSA-N 0 3 345.487 2.511 20 10 EFCDHN COC(=O)c1c(CN2CC[C@]3(CCOC3)C2)c2ccccc2n1C ZINC001232402160 1312694369 /nfs/dbraw/zinc/69/43/69/1312694369.db2.gz IDNSNXDIMDSUBE-IBGZPJMESA-N 0 3 328.412 2.577 20 10 EFCDHN COC(=O)c1c(CN2CCC[C@H](C)[C@H]2CO)c2ccccc2n1C ZINC001232401895 1312694462 /nfs/dbraw/zinc/69/44/62/1312694462.db2.gz FWNIYBXDGVOKPM-SUMWQHHRSA-N 0 3 330.428 2.558 20 10 EFCDHN COC(=O)c1c(CN2CCCOC(C)(C)C2)c2ccccc2n1C ZINC001232406872 1312695472 /nfs/dbraw/zinc/69/54/72/1312695472.db2.gz IXGKUPCOQPCARY-UHFFFAOYSA-N 0 3 330.428 2.966 20 10 EFCDHN COC(=O)c1c(CN2CC[C@@H]3OCC[C@@H]3C2)c2ccccc2n1C ZINC001232405572 1312695526 /nfs/dbraw/zinc/69/55/26/1312695526.db2.gz MXJBQNLLKQVVOF-DYVFJYSZSA-N 0 3 328.412 2.576 20 10 EFCDHN COC(=O)c1c(CN2C[C@@H]3CCCC(=O)[C@H]3C2)c2ccccc2n1C ZINC001232410824 1312697311 /nfs/dbraw/zinc/69/73/11/1312697311.db2.gz TYCMQHLKZXGLTL-ZFWWWQNUSA-N 0 3 340.423 2.766 20 10 EFCDHN CN1CCN(C2CC[NH+](Cc3c([O-])ccc4ccccc43)CC2)CC1 ZINC000872732510 1289345212 /nfs/dbraw/zinc/34/52/12/1289345212.db2.gz WMUURSXUAYZVLV-UHFFFAOYSA-N 0 3 339.483 2.757 20 10 EFCDHN COc1ccc(CNC(C)(C)c2cnn(C)c2)cc1Cn1cccn1 ZINC000873059911 1289545385 /nfs/dbraw/zinc/54/53/85/1289545385.db2.gz AWMMCHUUKBQHGY-UHFFFAOYSA-N 0 3 339.443 2.698 20 10 EFCDHN CN1CCCc2cc(CNC(=O)[C@@H]3CCN3C3CCCC3)ccc21 ZINC000874251487 1290236446 /nfs/dbraw/zinc/23/64/46/1290236446.db2.gz LJBFRTZHPMPTAJ-IBGZPJMESA-N 0 3 327.472 2.702 20 10 EFCDHN CN(C)c1ccc(CN2CCC[C@H](NC(=O)OC(C)(C)C)C2)c(O)c1 ZINC001232833515 1312790417 /nfs/dbraw/zinc/79/04/17/1312790417.db2.gz AHPNCVOEVHHYMP-HNNXBMFYSA-N 0 3 349.475 2.947 20 10 EFCDHN COc1ccccc1N1CCN(Cc2ccc(N(C)C)cc2O)CC1 ZINC001232835181 1312790897 /nfs/dbraw/zinc/79/08/97/1312790897.db2.gz YQGBBCDHTCNEFY-UHFFFAOYSA-N 0 3 341.455 2.789 20 10 EFCDHN CN(C)c1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)c(O)c1 ZINC001232834912 1312790958 /nfs/dbraw/zinc/79/09/58/1312790958.db2.gz PSOMGKCJLCJMHK-UHFFFAOYSA-N 0 3 343.446 2.915 20 10 EFCDHN Cc1cccc([O-])c1C[NH+]1CCC(C(=O)NCC(F)(F)F)CC1 ZINC000876611852 1290953936 /nfs/dbraw/zinc/95/39/36/1290953936.db2.gz TYQVUISMLMQTSY-UHFFFAOYSA-N 0 3 330.350 2.591 20 10 EFCDHN CN(CCCCNC(=O)OC(C)(C)C)Cc1cc(O)c(O)c(O)c1 ZINC001233015508 1312832320 /nfs/dbraw/zinc/83/23/20/1312832320.db2.gz PYIBFSRCDWHZDZ-UHFFFAOYSA-N 0 3 340.420 2.540 20 10 EFCDHN Cc1cccc([O-])c1C[NH2+]C[C@@H](c1cccs1)N1CCOCC1 ZINC000876890304 1291059738 /nfs/dbraw/zinc/05/97/38/1291059738.db2.gz WPOITAYYMCEPHA-INIZCTEOSA-N 0 3 332.469 2.925 20 10 EFCDHN Cc1cccc([O-])c1C[NH2+]CCCS(=O)(=O)Cc1ccccc1 ZINC000876938507 1291079098 /nfs/dbraw/zinc/07/90/98/1291079098.db2.gz GXRNFRABVFJUDH-UHFFFAOYSA-N 0 3 333.453 2.795 20 10 EFCDHN Nc1c(F)cccc1CNCc1ccc(N2CCC(CO)CC2)cc1 ZINC000876965119 1291088820 /nfs/dbraw/zinc/08/88/20/1291088820.db2.gz BKTKIZWGIYIKLS-UHFFFAOYSA-N 0 3 343.446 2.906 20 10 EFCDHN CCc1cc(N2CCC[C@H]([NH2+]Cc3ccc(C)cc3[O-])C2)ncn1 ZINC000877010119 1291106335 /nfs/dbraw/zinc/10/63/35/1291106335.db2.gz LWHDJIHMPRCDGO-KRWDZBQOSA-N 0 3 326.444 2.812 20 10 EFCDHN Cc1cccc([O-])c1C[NH2+]CCCCN1C(=O)c2ccccc2C1=O ZINC000877037197 1291112345 /nfs/dbraw/zinc/11/23/45/1291112345.db2.gz WSAJTWQMVOEDEW-UHFFFAOYSA-N 0 3 338.407 2.867 20 10 EFCDHN C[C@@](CO)(NCc1ccc(N2CCC(O)CC2)cc1)c1ccccc1 ZINC000877037927 1291113075 /nfs/dbraw/zinc/11/30/75/1291113075.db2.gz ZIEJDLQJJXPPMH-NRFANRHFSA-N 0 3 340.467 2.645 20 10 EFCDHN OCC[C@@H](NCc1ccc(N2CCC(O)CC2)cc1)c1ccccc1 ZINC000877053535 1291118398 /nfs/dbraw/zinc/11/83/98/1291118398.db2.gz QSFWAYFUMPOIOH-OAQYLSRUSA-N 0 3 340.467 2.861 20 10 EFCDHN CCc1nnc(NC(=O)[C@@H](C)[C@@H](C)[NH2+]Cc2c(C)cccc2[O-])s1 ZINC000877522339 1291259105 /nfs/dbraw/zinc/25/91/05/1291259105.db2.gz CYAMXXVENUOFGR-NWDGAFQWSA-N 0 3 348.472 2.867 20 10 EFCDHN CCOC(=O)c1cnn(C2CC[NH+](Cc3ccc(C)cc3[O-])CC2)c1 ZINC000877559937 1291276115 /nfs/dbraw/zinc/27/61/15/1291276115.db2.gz AONRIUJSAXZXKO-UHFFFAOYSA-N 0 3 343.427 2.911 20 10 EFCDHN Cc1cc(Br)cc(C[NH2+][C@@H](C)[C@H](O)C(F)(F)F)c1[O-] ZINC000877693866 1291333135 /nfs/dbraw/zinc/33/31/35/1291333135.db2.gz SVPMRYHUYSETSG-CPCISQLKSA-N 0 3 342.155 2.864 20 10 EFCDHN COCC[C@@H](C[NH2+][C@H](C)c1ccccc1[O-])NC(=O)OC(C)(C)C ZINC000877755489 1291362202 /nfs/dbraw/zinc/36/22/02/1291362202.db2.gz CNJXWEKTTSTJNH-KGLIPLIRSA-N 0 3 338.448 2.973 20 10 EFCDHN CONC(=O)C1CC[NH+](Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000877786728 1291380074 /nfs/dbraw/zinc/38/00/74/1291380074.db2.gz VOWMELOWHNKCSN-UHFFFAOYSA-N 0 3 340.423 2.949 20 10 EFCDHN COc1ccc(OC)c([C@@H](O)[C@H](C)[NH2+]Cc2cc(F)ccc2[O-])c1 ZINC000877831917 1291400617 /nfs/dbraw/zinc/40/06/17/1291400617.db2.gz BYTONHFDNBRWIY-VOJFVSQTSA-N 0 3 335.375 2.760 20 10 EFCDHN Cc1cc(Br)cc(CN2CCc3nccn3CC2)c1O ZINC001233109633 1312856038 /nfs/dbraw/zinc/85/60/38/1312856038.db2.gz DRBDZCJTTJDUCM-UHFFFAOYSA-N 0 3 336.233 2.718 20 10 EFCDHN COc1cc([O-])c(CN2CCC([NH+](C)C)CC2)cc1Br ZINC001233135745 1312863097 /nfs/dbraw/zinc/86/30/97/1312863097.db2.gz ZJKUKMSXYAAOIB-UHFFFAOYSA-N 0 3 343.265 2.689 20 10 EFCDHN COc1cc(Br)cc(CN2CCN(C(C)C)CC2)c1O ZINC000127007021 1291595160 /nfs/dbraw/zinc/59/51/60/1291595160.db2.gz PBLUUVCBNIRNOY-UHFFFAOYSA-N 0 3 343.265 2.689 20 10 EFCDHN COc1ccc(N2CCN(Cc3cc(C)c[nH]c3=O)CC2)c(C)c1 ZINC001233198591 1312878581 /nfs/dbraw/zinc/87/85/81/1312878581.db2.gz SAHRHEIAGCYYRU-UHFFFAOYSA-N 0 3 327.428 2.735 20 10 EFCDHN CCOC(=O)c1c(CN2CCC[C@H](CCO)C2)c2ccccc2n1C ZINC001233272503 1312890833 /nfs/dbraw/zinc/89/08/33/1312890833.db2.gz NNRPBAGMJQNQSA-OAHLLOKOSA-N 0 3 344.455 2.949 20 10 EFCDHN CC(C)(C)c1ccc(O)c(CN2CCN(C[C@@H]3CCCO3)CC2)c1 ZINC001233286393 1312895504 /nfs/dbraw/zinc/89/55/04/1312895504.db2.gz RWXZAVZGFOUGMY-SFHVURJKSA-N 0 3 332.488 2.986 20 10 EFCDHN COc1cc(Cl)cc(C[N@@H+]2CCCC[C@@]23CC(=O)N(C)C3)c1[O-] ZINC001233288774 1312895984 /nfs/dbraw/zinc/89/59/84/1312895984.db2.gz WUUZHOFUGIBWMY-KRWDZBQOSA-N 0 3 338.835 2.641 20 10 EFCDHN COc1cc(Cl)cc(C[N@H+]2CCCC[C@@]23CC(=O)N(C)C3)c1[O-] ZINC001233288774 1312895987 /nfs/dbraw/zinc/89/59/87/1312895987.db2.gz WUUZHOFUGIBWMY-KRWDZBQOSA-N 0 3 338.835 2.641 20 10 EFCDHN COC(=O)[C@@H]1C[C@H](C)CN(Cc2cc(Cl)cc(OC)c2O)C1 ZINC001233290135 1312896039 /nfs/dbraw/zinc/89/60/39/1312896039.db2.gz LIIJEYHGQWHMLK-CMPLNLGQSA-N 0 3 327.808 2.685 20 10 EFCDHN COC(=O)[C@@H]1C[C@H](C)C[N@H+](Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC001233290135 1312896042 /nfs/dbraw/zinc/89/60/42/1312896042.db2.gz LIIJEYHGQWHMLK-CMPLNLGQSA-N 0 3 327.808 2.685 20 10 EFCDHN COC(=O)[C@@H]1C[C@H](C)C[N@@H+](Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC001233290135 1312896046 /nfs/dbraw/zinc/89/60/46/1312896046.db2.gz LIIJEYHGQWHMLK-CMPLNLGQSA-N 0 3 327.808 2.685 20 10 EFCDHN COc1cc(Cl)cc(CN2CCC(N3CC(F)C3)CC2)c1O ZINC001233290378 1312896119 /nfs/dbraw/zinc/89/61/19/1312896119.db2.gz ZOLWIUZMUWRSNA-UHFFFAOYSA-N 0 3 328.815 2.672 20 10 EFCDHN COC(=O)[C@H]1CCCN(Cc2cc(Cl)cc(OC)c2O)[C@@H]1C ZINC001233290298 1312896323 /nfs/dbraw/zinc/89/63/23/1312896323.db2.gz VIFWZWKDABJZMM-MFKMUULPSA-N 0 3 327.808 2.828 20 10 EFCDHN COC(=O)[C@H]1CCC[N@H+](Cc2cc(Cl)cc(OC)c2[O-])[C@@H]1C ZINC001233290298 1312896328 /nfs/dbraw/zinc/89/63/28/1312896328.db2.gz VIFWZWKDABJZMM-MFKMUULPSA-N 0 3 327.808 2.828 20 10 EFCDHN COC(=O)[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(OC)c2[O-])[C@@H]1C ZINC001233290298 1312896331 /nfs/dbraw/zinc/89/63/31/1312896331.db2.gz VIFWZWKDABJZMM-MFKMUULPSA-N 0 3 327.808 2.828 20 10 EFCDHN COC(=O)[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1cc(Cl)cc(OC)c1[O-])C2 ZINC001233290191 1312896764 /nfs/dbraw/zinc/89/67/64/1312896764.db2.gz OACAPXDKZPLHHU-MJVIPROJSA-N 0 3 339.819 2.828 20 10 EFCDHN COC(=O)[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cc(Cl)cc(OC)c1[O-])C2 ZINC001233290191 1312896768 /nfs/dbraw/zinc/89/67/68/1312896768.db2.gz OACAPXDKZPLHHU-MJVIPROJSA-N 0 3 339.819 2.828 20 10 EFCDHN COc1ccc(O)c([C@@H](C)NCc2cc(=O)n3cc(C)ccc3n2)c1 ZINC000775373869 1292104973 /nfs/dbraw/zinc/10/49/73/1292104973.db2.gz YWLCNKNNBFMZHH-CYBMUJFWSA-N 0 3 339.395 2.568 20 10 EFCDHN COCc1cccc(CNC(=O)C[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000879648397 1292217754 /nfs/dbraw/zinc/21/77/54/1292217754.db2.gz MUVDFHVRMXSKJS-CQSZACIVSA-N 0 3 328.412 2.506 20 10 EFCDHN C[C@@H]([NH2+]CCC(=O)N1CCOc2ccccc21)c1ccccc1[O-] ZINC000879649450 1292217975 /nfs/dbraw/zinc/21/79/75/1292217975.db2.gz UENZMLHKDSOAJU-CQSZACIVSA-N 0 3 326.396 2.859 20 10 EFCDHN C[C@@H]([NH2+]CC(=O)N(C)CCCOc1ccccc1)c1ccccc1[O-] ZINC000879648294 1292217997 /nfs/dbraw/zinc/21/79/97/1292217997.db2.gz IUFBAPVOLTUKBZ-MRXNPFEDSA-N 0 3 342.439 2.970 20 10 EFCDHN C[C@@H]([NH2+]CCCOc1ccc(S(C)(=O)=O)cc1)c1ccccc1[O-] ZINC000879648731 1292218020 /nfs/dbraw/zinc/21/80/20/1292218020.db2.gz BDFRKUIMEUAXFS-CQSZACIVSA-N 0 3 349.452 2.915 20 10 EFCDHN Cc1nc2sccn2c(=O)c1CC[NH2+][C@H](C)c1ccccc1[O-] ZINC000879649017 1292218713 /nfs/dbraw/zinc/21/87/13/1292218713.db2.gz HOHRYRLCQZMHCD-LLVKDONJSA-N 0 3 329.425 2.663 20 10 EFCDHN CCOC(=O)[C@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2[O-])CCS1 ZINC001233419093 1312929070 /nfs/dbraw/zinc/92/90/70/1312929070.db2.gz JCWJSBFZFFXQQV-GFCCVEGCSA-N 0 3 349.374 2.892 20 10 EFCDHN CCOC(=O)[C@H]1C[N@@H+](Cc2cccc(C(F)(F)F)c2[O-])CCS1 ZINC001233419093 1312929072 /nfs/dbraw/zinc/92/90/72/1312929072.db2.gz JCWJSBFZFFXQQV-GFCCVEGCSA-N 0 3 349.374 2.892 20 10 EFCDHN O=C1CC2(CCN(Cc3cc(O)c(O)cc3O)CC2)c2ccccc21 ZINC001233486989 1312940245 /nfs/dbraw/zinc/94/02/45/1312940245.db2.gz KNQKULIDMWFAOQ-UHFFFAOYSA-N 0 3 339.391 2.924 20 10 EFCDHN Cc1ccnc(O[C@H]2CCCN(Cc3cc(O)c(O)cc3O)C2)c1 ZINC001233486827 1312940393 /nfs/dbraw/zinc/94/03/93/1312940393.db2.gz DTHIJEUOCZOSMY-AWEZNQCLSA-N 0 3 330.384 2.550 20 10 EFCDHN CC(=O)C1(c2ccccc2)CCN(Cc2cc(O)c(O)cc2O)CC1 ZINC001233485555 1312940863 /nfs/dbraw/zinc/94/08/63/1312940863.db2.gz AUVBEEXNLYPFGC-UHFFFAOYSA-N 0 3 341.407 2.926 20 10 EFCDHN O=C1CC[C@@H]2[C@@H](CC[N@H+]2Cc2ccccc2[O-])N1Cc1cccnc1 ZINC001203552768 1312954193 /nfs/dbraw/zinc/95/41/93/1312954193.db2.gz SMDCKQLJKMCMNN-QZTJIDSGSA-N 0 3 337.423 2.553 20 10 EFCDHN O=C1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccccc2[O-])N1Cc1cccnc1 ZINC001203552768 1312954195 /nfs/dbraw/zinc/95/41/95/1312954195.db2.gz SMDCKQLJKMCMNN-QZTJIDSGSA-N 0 3 337.423 2.553 20 10 EFCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001203552172 1312954395 /nfs/dbraw/zinc/95/43/95/1312954395.db2.gz CVDUPMDDSOTNPA-AZUAARDMSA-N 0 3 340.423 2.990 20 10 EFCDHN [O-]c1ccccc1C[N@H+]1CCC[C@@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001203552172 1312954398 /nfs/dbraw/zinc/95/43/98/1312954398.db2.gz CVDUPMDDSOTNPA-AZUAARDMSA-N 0 3 340.423 2.990 20 10 EFCDHN Oc1ccccc1CN1Cc2cncn2C[C@@H](COCC2CC2)C1 ZINC001203551351 1312954762 /nfs/dbraw/zinc/95/47/62/1312954762.db2.gz DQHLYICIBHGULL-INIZCTEOSA-N 0 3 327.428 2.647 20 10 EFCDHN O=C(c1ccco1)N1C[C@H]2CCC[N@@H+](Cc3ccccc3[O-])[C@H]2C1 ZINC001203556420 1312955768 /nfs/dbraw/zinc/95/57/68/1312955768.db2.gz PLFCNZIZPBCQOX-ZBFHGGJFSA-N 0 3 326.396 2.722 20 10 EFCDHN O=C(c1ccco1)N1C[C@H]2CCC[N@H+](Cc3ccccc3[O-])[C@H]2C1 ZINC001203556420 1312955769 /nfs/dbraw/zinc/95/57/69/1312955769.db2.gz PLFCNZIZPBCQOX-ZBFHGGJFSA-N 0 3 326.396 2.722 20 10 EFCDHN C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001203561530 1312956394 /nfs/dbraw/zinc/95/63/94/1312956394.db2.gz VUWVPHISXCWEQP-LJQANCHMSA-N 0 3 326.440 2.725 20 10 EFCDHN C[N@H+](Cc1ccccc1[O-])C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001203561530 1312956399 /nfs/dbraw/zinc/95/63/99/1312956399.db2.gz VUWVPHISXCWEQP-LJQANCHMSA-N 0 3 326.440 2.725 20 10 EFCDHN [O-]c1ccccc1C[N@@H+]1CC[C@@H](Oc2cc(C(F)(F)F)ncn2)C1 ZINC001203562947 1312957135 /nfs/dbraw/zinc/95/71/35/1312957135.db2.gz QHXNVJIORGLWOS-GFCCVEGCSA-N 0 3 339.317 2.854 20 10 EFCDHN [O-]c1ccccc1C[N@H+]1CC[C@@H](Oc2cc(C(F)(F)F)ncn2)C1 ZINC001203562947 1312957139 /nfs/dbraw/zinc/95/71/39/1312957139.db2.gz QHXNVJIORGLWOS-GFCCVEGCSA-N 0 3 339.317 2.854 20 10 EFCDHN CCC[C@H](N)c1cn(Cc2ccc(N3CCC(OC)CC3)cc2)nn1 ZINC000881379840 1292865420 /nfs/dbraw/zinc/86/54/20/1292865420.db2.gz AGSATTWGKVOMHK-SFHVURJKSA-N 0 3 343.475 2.742 20 10 EFCDHN COc1cccc(CN2C[C@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]32)c1O ZINC001203590281 1312965312 /nfs/dbraw/zinc/96/53/12/1312965312.db2.gz VSVKKGQKZOXBNN-CABCVRRESA-N 0 3 348.443 2.842 20 10 EFCDHN COc1cccc(CN2CCC[C@@H](Oc3ncccc3OC)C2)c1O ZINC001203601881 1312968220 /nfs/dbraw/zinc/96/82/20/1312968220.db2.gz PKWKCPLZBAYMHQ-OAHLLOKOSA-N 0 3 344.411 2.848 20 10 EFCDHN CCOc1cccc(CN2C[C@H]3CN(C(=O)OC(C)(C)C)[C@@H]3C2)c1O ZINC001203615718 1312971930 /nfs/dbraw/zinc/97/19/30/1312971930.db2.gz YUEYXNVTUFSWKL-LSDHHAIUSA-N 0 3 348.443 2.842 20 10 EFCDHN CCOc1cccc(CN2CCC(Oc3ccncn3)CC2)c1O ZINC001203616980 1312972635 /nfs/dbraw/zinc/97/26/35/1312972635.db2.gz DGZSFFQHQOUYNS-UHFFFAOYSA-N 0 3 329.400 2.624 20 10 EFCDHN CCOc1cccc(CN2CCC[C@H](Oc3ncccn3)C2)c1O ZINC001203617163 1312972675 /nfs/dbraw/zinc/97/26/75/1312972675.db2.gz KSDGNPVNCBPVGN-HNNXBMFYSA-N 0 3 329.400 2.624 20 10 EFCDHN COc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H]3C2)c([O-])c1 ZINC001203621655 1312973165 /nfs/dbraw/zinc/97/31/65/1312973165.db2.gz FWKGFBSCOLWQPA-XJKSGUPXSA-N 0 3 348.443 2.842 20 10 EFCDHN COc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H]3C2)c([O-])c1 ZINC001203621655 1312973166 /nfs/dbraw/zinc/97/31/66/1312973166.db2.gz FWKGFBSCOLWQPA-XJKSGUPXSA-N 0 3 348.443 2.842 20 10 EFCDHN COC(=O)N1CCC2(CC1)CC[NH+](Cc1ccc(OC)cc1[O-])CC2 ZINC001203620379 1312973386 /nfs/dbraw/zinc/97/33/86/1312973386.db2.gz CBASKYRBCKMEQL-UHFFFAOYSA-N 0 3 348.443 2.845 20 10 EFCDHN COc1ccc(C[NH+]2CCC3(CC2)C(=O)Nc2ccccc23)c([O-])c1 ZINC001203621362 1312973494 /nfs/dbraw/zinc/97/34/94/1312973494.db2.gz BMVBTVNVMPEPEZ-UHFFFAOYSA-N 0 3 338.407 2.887 20 10 EFCDHN COc1ccc(C[NH+]2CCC(Oc3cc(Cl)ncn3)CC2)c([O-])c1 ZINC001203628005 1312975636 /nfs/dbraw/zinc/97/56/36/1312975636.db2.gz VIXHSMIUXSSDSI-UHFFFAOYSA-N 0 3 349.818 2.888 20 10 EFCDHN COc1ccc(CN2CCC(Oc3cc(Cl)ncn3)CC2)c(O)c1 ZINC001203628005 1312975638 /nfs/dbraw/zinc/97/56/38/1312975638.db2.gz VIXHSMIUXSSDSI-UHFFFAOYSA-N 0 3 349.818 2.888 20 10 EFCDHN COC(=O)[C@@H]1C[N@H+](Cc2ccc(OC)cc2[O-])C[C@@H]1c1ccccc1 ZINC001203635319 1312977239 /nfs/dbraw/zinc/97/72/39/1312977239.db2.gz PNRGSYKGHQDATC-QZTJIDSGSA-N 0 3 341.407 2.789 20 10 EFCDHN COC(=O)[C@@H]1C[N@@H+](Cc2ccc(OC)cc2[O-])C[C@@H]1c1ccccc1 ZINC001203635319 1312977242 /nfs/dbraw/zinc/97/72/42/1312977242.db2.gz PNRGSYKGHQDATC-QZTJIDSGSA-N 0 3 341.407 2.789 20 10 EFCDHN COc1ccc(C[NH+]2CCC(Oc3ccc(F)cn3)CC2)c([O-])c1 ZINC001203634929 1312977296 /nfs/dbraw/zinc/97/72/96/1312977296.db2.gz BPODLSSHOJUGIO-UHFFFAOYSA-N 0 3 332.375 2.978 20 10 EFCDHN COc1ccc(C[N@@H+]2CCC[C@@H](Oc3cc(C)ncn3)C2)c([O-])c1 ZINC001203634998 1312977657 /nfs/dbraw/zinc/97/76/57/1312977657.db2.gz FOTGBSBSIJIJNH-MRXNPFEDSA-N 0 3 329.400 2.543 20 10 EFCDHN COc1ccc(C[N@H+]2CCC[C@@H](Oc3cc(C)ncn3)C2)c([O-])c1 ZINC001203634998 1312977659 /nfs/dbraw/zinc/97/76/59/1312977659.db2.gz FOTGBSBSIJIJNH-MRXNPFEDSA-N 0 3 329.400 2.543 20 10 EFCDHN CC[NH+]1C[C@H]2CN(Cc3cc(Br)ccc3[O-])C[C@@H]2C1 ZINC001203648733 1312980783 /nfs/dbraw/zinc/98/07/83/1312980783.db2.gz RLSRBXSSDUAVGQ-STQMWFEESA-N 0 3 325.250 2.538 20 10 EFCDHN COC(=O)[C@H]1C[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])C[C@@H]1C ZINC001233776620 1312990327 /nfs/dbraw/zinc/99/03/27/1312990327.db2.gz WBVULWWJIGVGQP-ONGXEEELSA-N 0 3 333.306 2.532 20 10 EFCDHN COC(=O)[C@H]1C[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])C[C@@H]1C ZINC001233776620 1312990331 /nfs/dbraw/zinc/99/03/31/1312990331.db2.gz WBVULWWJIGVGQP-ONGXEEELSA-N 0 3 333.306 2.532 20 10 EFCDHN [O-]c1c(F)cc(F)cc1C[NH2+]C1CCN([C@H]2CCCC[C@H]2O)CC1 ZINC000883049065 1293442529 /nfs/dbraw/zinc/44/25/29/1293442529.db2.gz CIINWIHBVDUHCI-DLBZAZTESA-N 0 3 340.414 2.528 20 10 EFCDHN O=C1N[C@H](c2ccccc2)C12CCN(Cc1ccc(O)c(O)c1)CC2 ZINC001203879383 1313040089 /nfs/dbraw/zinc/04/00/89/1313040089.db2.gz OYWNLGJBFJDJJR-GOSISDBHSA-N 0 3 338.407 2.551 20 10 EFCDHN Oc1ccc(CN2C[C@@H]3COC[C@]3(COCC3CCCC3)C2)cc1O ZINC001203878377 1313039794 /nfs/dbraw/zinc/03/97/94/1313039794.db2.gz FTQGXKRQEHBKFH-YLJYHZDGSA-N 0 3 347.455 2.753 20 10 EFCDHN CC(C)(C)OC(=O)N1CC[C@H]2CN(Cc3ccc(O)c(O)c3)C[C@H]2C1 ZINC001203882896 1313040546 /nfs/dbraw/zinc/04/05/46/1313040546.db2.gz WMUPDVYDNVWFQH-GJZGRUSLSA-N 0 3 348.443 2.787 20 10 EFCDHN CN(C)c1ccc(CN2CCC(NC(=O)c3ccncc3)CC2)cc1 ZINC001203936246 1313051155 /nfs/dbraw/zinc/05/11/55/1313051155.db2.gz FPYAUDIJYVCFDK-UHFFFAOYSA-N 0 3 338.455 2.542 20 10 EFCDHN Cc1ccnc(O[C@H]2CCCN(Cc3ccc(N(C)C)cc3)C2)n1 ZINC001203936826 1313051561 /nfs/dbraw/zinc/05/15/61/1313051561.db2.gz OUYUSVJRGYWVHU-SFHVURJKSA-N 0 3 326.444 2.894 20 10 EFCDHN CN(C)c1ccc(CN2CC[C@H](N3Cc4ccccc4C3=O)C2)cc1 ZINC001203937219 1313051587 /nfs/dbraw/zinc/05/15/87/1313051587.db2.gz OXXGWCUTSZTDDY-IBGZPJMESA-N 0 3 335.451 2.983 20 10 EFCDHN CC(C)N1CCC2(CCN(Cc3ccc(N(C)C)cc3)CC2)C1=O ZINC001203937148 1313051593 /nfs/dbraw/zinc/05/15/93/1313051593.db2.gz NCEFKNMWPYILHH-UHFFFAOYSA-N 0 3 329.488 2.976 20 10 EFCDHN CN(C)c1ccc(CN2CCC[C@@H](OCC(=O)NC(C)(C)C)C2)cc1 ZINC001203937739 1313051621 /nfs/dbraw/zinc/05/16/21/1313051621.db2.gz OENDQYYBYPDTKG-GOSISDBHSA-N 0 3 347.503 2.648 20 10 EFCDHN Cc1ccnc(O[C@@H]2CCCN(Cc3ccc(N(C)C)cc3)C2)n1 ZINC001203936825 1313051911 /nfs/dbraw/zinc/05/19/11/1313051911.db2.gz OUYUSVJRGYWVHU-GOSISDBHSA-N 0 3 326.444 2.894 20 10 EFCDHN CN1CCN(c2ccc(CN3CCO[C@@H](c4ccco4)C3)cc2)CC1 ZINC000775734713 1294322513 /nfs/dbraw/zinc/32/25/13/1294322513.db2.gz XSIOZZZDTVAZMQ-HXUWFJFHSA-N 0 3 341.455 2.605 20 10 EFCDHN Cc1ncsc1CN1CC2(C1)CN(Cc1c(O)cccc1F)C2 ZINC001276354256 1294571017 /nfs/dbraw/zinc/57/10/17/1294571017.db2.gz ODBAJUMQFJHKFG-UHFFFAOYSA-N 0 3 333.432 2.614 20 10 EFCDHN C[C@H]1CCNC(=O)[C@H]1NCc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796376076 1294590996 /nfs/dbraw/zinc/59/09/96/1294590996.db2.gz LYDNKGXOAOAZRK-KKSFZXQISA-N 0 3 349.478 2.864 20 10 EFCDHN C[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000886294643 1294826136 /nfs/dbraw/zinc/82/61/36/1294826136.db2.gz CWSDWPDYBPRINQ-DYVFJYSZSA-N 0 3 331.437 2.582 20 10 EFCDHN CN(C)c1ccc(CN2CCO[C@]3(CCOC3)C2)c2ccccc21 ZINC001204235046 1313106171 /nfs/dbraw/zinc/10/61/71/1313106171.db2.gz DVUSHRSDEBWEKH-HXUWFJFHSA-N 0 3 326.440 2.897 20 10 EFCDHN Cc1cc(CNCc2ccc(N3CCC(C(N)=O)CC3)cc2)c(C)o1 ZINC000886325182 1294855835 /nfs/dbraw/zinc/85/58/35/1294855835.db2.gz XZHVVLKNJKOAGB-UHFFFAOYSA-N 0 3 341.455 2.888 20 10 EFCDHN COC(=O)[C@@H]1CC[N@H+](Cc2ccc(O)cc2[O-])[C@H]1c1ccccc1 ZINC001204276275 1313114034 /nfs/dbraw/zinc/11/40/34/1313114034.db2.gz IXYYTTDARDNYLD-AEFFLSMTSA-N 0 3 327.380 2.834 20 10 EFCDHN COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(O)cc2[O-])[C@H]1c1ccccc1 ZINC001204276275 1313114037 /nfs/dbraw/zinc/11/40/37/1313114037.db2.gz IXYYTTDARDNYLD-AEFFLSMTSA-N 0 3 327.380 2.834 20 10 EFCDHN CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3ccc(O)cc3[O-])C[C@H]2C1 ZINC001204278557 1313114757 /nfs/dbraw/zinc/11/47/57/1313114757.db2.gz FRVBRWPIMGPCOM-HIFRSBDPSA-N 0 3 348.443 2.787 20 10 EFCDHN CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](Cc3ccc(O)cc3[O-])C[C@H]2C1 ZINC001204278557 1313114761 /nfs/dbraw/zinc/11/47/61/1313114761.db2.gz FRVBRWPIMGPCOM-HIFRSBDPSA-N 0 3 348.443 2.787 20 10 EFCDHN C[C@@H]1CN(Cc2ccc(O)cc2O)CCN(C(=O)OC(C)(C)C)C1 ZINC001204277227 1313114814 /nfs/dbraw/zinc/11/48/14/1313114814.db2.gz WVXNMEUFGXPMOE-CYBMUJFWSA-N 0 3 336.432 2.787 20 10 EFCDHN O=C1Nc2ccccc2C2(CC[NH+](Cc3ccc(O)cc3[O-])CC2)N1 ZINC001204279242 1313115096 /nfs/dbraw/zinc/11/50/96/1313115096.db2.gz TXEZZKOWXBOUOL-UHFFFAOYSA-N 0 3 339.395 2.724 20 10 EFCDHN NC(=O)[C@H](c1ccccc1)[C@H]1CCCC[N@@H+]1Cc1ccc(O)cc1[O-] ZINC001204279408 1313115214 /nfs/dbraw/zinc/11/52/14/1313115214.db2.gz YCICRESBBNGRNO-IEBWSBKVSA-N 0 3 340.423 2.721 20 10 EFCDHN NC(=O)[C@H](c1ccccc1)[C@H]1CCCC[N@H+]1Cc1ccc(O)cc1[O-] ZINC001204279408 1313115216 /nfs/dbraw/zinc/11/52/16/1313115216.db2.gz YCICRESBBNGRNO-IEBWSBKVSA-N 0 3 340.423 2.721 20 10 EFCDHN C[N@@H+](Cc1ccc(O)cc1[O-])C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001204278644 1313115446 /nfs/dbraw/zinc/11/54/46/1313115446.db2.gz GSQFJQIDQCYAOP-CYBMUJFWSA-N 0 3 336.432 2.787 20 10 EFCDHN C[N@H+](Cc1ccc(O)cc1[O-])C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001204278644 1313115448 /nfs/dbraw/zinc/11/54/48/1313115448.db2.gz GSQFJQIDQCYAOP-CYBMUJFWSA-N 0 3 336.432 2.787 20 10 EFCDHN COc1cc(Br)cc(CN2CCC[C@H](O)[C@@H](C)C2)c1O ZINC001204335857 1313125067 /nfs/dbraw/zinc/12/50/67/1313125067.db2.gz AWOOIAHPLLMLCR-GWCFXTLKSA-N 0 3 344.249 2.756 20 10 EFCDHN COc1ccc2ccc([O-])c(C[NH+]3CCC4(CCC(=O)N4)CC3)c2c1 ZINC001234568680 1313160553 /nfs/dbraw/zinc/16/05/53/1313160553.db2.gz AODWPTHEINEBEF-UHFFFAOYSA-N 0 3 340.423 2.799 20 10 EFCDHN CN(C)c1ccc(CN2CCC(NC(=O)N3CCCC3)CC2)cc1 ZINC001203935696 1295549195 /nfs/dbraw/zinc/54/91/95/1295549195.db2.gz AWLOEQBDHBGWQG-UHFFFAOYSA-N 0 3 330.476 2.522 20 10 EFCDHN COc1cc(Br)cc(CN2C[C@@H](C)N(C)C[C@H]2C)c1O ZINC000775984897 1295561874 /nfs/dbraw/zinc/56/18/74/1295561874.db2.gz HSMNOIJVXHEHBM-GHMZBOCLSA-N 0 3 343.265 2.688 20 10 EFCDHN CCOCC(COCC)Oc1ccc(N2CCN(CC)CC2)cc1 ZINC001234658075 1313179429 /nfs/dbraw/zinc/17/94/29/1313179429.db2.gz SMTJBLABROISJR-UHFFFAOYSA-N 0 3 336.476 2.649 20 10 EFCDHN CCN1CCN(c2ccc(O[C@H](C)CO[C@H](C)COC)cc2)CC1 ZINC001234661575 1313180128 /nfs/dbraw/zinc/18/01/28/1313180128.db2.gz VDHWBJXUCKQAMX-IAGOWNOFSA-N 0 3 336.476 2.647 20 10 EFCDHN COc1cc(C)c(C[N@@H+]2CCC[C@]3(CCN(C)C3=O)CC2)c([O-])c1 ZINC001274660272 1296132014 /nfs/dbraw/zinc/13/20/14/1296132014.db2.gz HAILGSXXZULQBB-IBGZPJMESA-N 0 3 332.444 2.544 20 10 EFCDHN COc1cc(C)c(C[N@H+]2CCC[C@]3(CCN(C)C3=O)CC2)c([O-])c1 ZINC001274660272 1296132019 /nfs/dbraw/zinc/13/20/19/1296132019.db2.gz HAILGSXXZULQBB-IBGZPJMESA-N 0 3 332.444 2.544 20 10 EFCDHN CC(C)(C)c1cc([O-])c(CN2CCO[C@@H]3CC[NH2+]C[C@@H]32)cc1Cl ZINC001235007845 1313222446 /nfs/dbraw/zinc/22/24/46/1313222446.db2.gz NUSFSUFRCUTGPB-DOTOQJQBSA-N 0 3 338.879 2.906 20 10 EFCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@]2(CN(Cc3ccc[nH]3)CCO2)C1 ZINC001275267428 1296246094 /nfs/dbraw/zinc/24/60/94/1296246094.db2.gz OEEAEWMRXWGYOL-HXUWFJFHSA-N 0 3 341.455 2.587 20 10 EFCDHN [O-]c1ccccc1C[N@H+]1CCC[C@]2(CN(Cc3ccc[nH]3)CCO2)C1 ZINC001275267428 1296246102 /nfs/dbraw/zinc/24/61/02/1296246102.db2.gz OEEAEWMRXWGYOL-HXUWFJFHSA-N 0 3 341.455 2.587 20 10 EFCDHN Cc1cc(CN2CCCCC23C[NH2+]C3)c([O-])cc1Br ZINC001235105989 1313243090 /nfs/dbraw/zinc/24/30/90/1313243090.db2.gz YGCRBIMZTKDCCK-UHFFFAOYSA-N 0 3 325.250 2.791 20 10 EFCDHN Cc1cc(C[N@@H+]2CCc3cccc([O-])c3C2)cc(C)c1OCCO ZINC001235372158 1313304318 /nfs/dbraw/zinc/30/43/18/1313304318.db2.gz HMFHEYLCXXJJMT-UHFFFAOYSA-N 0 3 327.424 2.938 20 10 EFCDHN Cc1cc(C[N@H+]2CCc3cccc([O-])c3C2)cc(C)c1OCCO ZINC001235372158 1313304321 /nfs/dbraw/zinc/30/43/21/1313304321.db2.gz HMFHEYLCXXJJMT-UHFFFAOYSA-N 0 3 327.424 2.938 20 10 EFCDHN Cc1cc([O-])c(CN2CC[NH2+]C[C@H]2C(C)C)cc1Br ZINC001235457499 1313327626 /nfs/dbraw/zinc/32/76/26/1313327626.db2.gz FDAMUCOMGFLBGE-AWEZNQCLSA-N 0 3 327.266 2.893 20 10 EFCDHN [NH3+]C[C@@H]1CN(Cc2cc(Br)ccc2[O-])CCC1(F)F ZINC001205762389 1313350616 /nfs/dbraw/zinc/35/06/16/1313350616.db2.gz LTCVFMFIKGSPPN-SNVBAGLBSA-N 0 3 335.192 2.571 20 10 EFCDHN Cc1cc(CN2CCCC3(C[NH2+]C3)C2)c([O-])cc1Br ZINC001235715163 1313382976 /nfs/dbraw/zinc/38/29/76/1313382976.db2.gz QKCPQPLQALNENV-UHFFFAOYSA-N 0 3 325.250 2.649 20 10 EFCDHN COc1cccc(N2CCN(Cc3cc(OC)ccc3O)CC2)c1 ZINC000155979629 1297711990 /nfs/dbraw/zinc/71/19/90/1297711990.db2.gz AZYDJWRZEYHRJV-UHFFFAOYSA-N 0 3 328.412 2.732 20 10 EFCDHN CCN(Cc1cc(Br)c(OC)cc1[O-])[C@H]1CCC[NH2+]C1 ZINC001236010462 1313431295 /nfs/dbraw/zinc/43/12/95/1313431295.db2.gz SKEXGEQIRURQGM-LBPRGKRZSA-N 0 3 343.265 2.737 20 10 EFCDHN [NH3+]C[C@]1(F)CCCCN(Cc2cc(Br)ccc2[O-])C1 ZINC001206335513 1313438403 /nfs/dbraw/zinc/43/84/03/1313438403.db2.gz FQMOTTYREBKIFH-CQSZACIVSA-N 0 3 331.229 2.808 20 10 EFCDHN Cc1cc([O-])c(CN2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1Br ZINC001236095006 1313440710 /nfs/dbraw/zinc/44/07/10/1313440710.db2.gz ARYJQUVBSALLSO-BETUJISGSA-N 0 3 325.250 2.789 20 10 EFCDHN [O-]c1c(CN2CC(O)([C@H]3CCCC[NH2+]3)C2)cccc1-c1ccccc1 ZINC001236166953 1313450436 /nfs/dbraw/zinc/45/04/36/1313450436.db2.gz VCQKHRSRYKNHSF-LJQANCHMSA-N 0 3 338.451 2.748 20 10 EFCDHN C[N@H+](Cc1cc(Br)cc(F)c1[O-])[C@H]1CCCC[C@@H]1N ZINC001236212958 1313456521 /nfs/dbraw/zinc/45/65/21/1313456521.db2.gz ANJBFNPYPJRPRK-STQMWFEESA-N 0 3 331.229 2.996 20 10 EFCDHN C[N@@H+](Cc1cc(Br)cc(F)c1[O-])[C@H]1CCCC[C@@H]1N ZINC001236212958 1313456524 /nfs/dbraw/zinc/45/65/24/1313456524.db2.gz ANJBFNPYPJRPRK-STQMWFEESA-N 0 3 331.229 2.996 20 10 EFCDHN CN(Cc1cc(Br)cc(F)c1[O-])[C@H]1CCCC[C@@H]1[NH3+] ZINC001236212958 1313456526 /nfs/dbraw/zinc/45/65/26/1313456526.db2.gz ANJBFNPYPJRPRK-STQMWFEESA-N 0 3 331.229 2.996 20 10 EFCDHN COc1cc([O-])c(CN(C)[C@@]2(C)CCC[NH2+]C2)cc1Br ZINC001236207594 1313455743 /nfs/dbraw/zinc/45/57/43/1313455743.db2.gz RDELFONZQCRJHY-HNNXBMFYSA-N 0 3 343.265 2.737 20 10 EFCDHN COc1cc([O-])c(CN(C)[C@@]2(C)CCC[NH2+]C2)c(Br)c1 ZINC001236209206 1313456077 /nfs/dbraw/zinc/45/60/77/1313456077.db2.gz ZILQSXPCEAEAOH-HNNXBMFYSA-N 0 3 343.265 2.737 20 10 EFCDHN CCOC(=O)CN(CCC[NH3+])Cc1cccc(-c2ccccc2)c1[O-] ZINC001236303836 1313467365 /nfs/dbraw/zinc/46/73/65/1313467365.db2.gz QUPPRKILROYTKB-UHFFFAOYSA-N 0 3 342.439 2.773 20 10 EFCDHN CCCN(Cc1c([O-])cc(OC)cc1Br)[C@H]1CC[NH2+]C1 ZINC001236322934 1313469164 /nfs/dbraw/zinc/46/91/64/1313469164.db2.gz AVWCQTJNAUZTSY-NSHDSACASA-N 0 3 343.265 2.737 20 10 EFCDHN COc1cc([O-])c(CN(C(C)C)[C@@H]2CC[NH2+]C2)c(Br)c1 ZINC001236531431 1313489059 /nfs/dbraw/zinc/48/90/59/1313489059.db2.gz YXBGCFUWGRBMEL-LLVKDONJSA-N 0 3 343.265 2.736 20 10 EFCDHN COc1cc(O)c(CN2CC[C@@](O)(C(F)(F)F)[C@@H](C)C2)cc1OC ZINC001236748998 1313521550 /nfs/dbraw/zinc/52/15/50/1313521550.db2.gz DGVHDPOOJKCXGW-BONVTDFDSA-N 0 3 349.349 2.545 20 10 EFCDHN COc1cc(CN2CCCC[C@@](C)(O)C2)c(O)cc1Br ZINC001236749028 1313521969 /nfs/dbraw/zinc/52/19/69/1313521969.db2.gz XVIJSMWXLYQHJU-OAHLLOKOSA-N 0 3 344.249 2.900 20 10 EFCDHN COc1cc(C[N@@H+]2CCCC[C@@](C)(O)C2)c([O-])cc1Br ZINC001236749028 1313521971 /nfs/dbraw/zinc/52/19/71/1313521971.db2.gz XVIJSMWXLYQHJU-OAHLLOKOSA-N 0 3 344.249 2.900 20 10 EFCDHN COc1cc(C[N@H+]2CCCC[C@@](C)(O)C2)c([O-])cc1Br ZINC001236749028 1313521973 /nfs/dbraw/zinc/52/19/73/1313521973.db2.gz XVIJSMWXLYQHJU-OAHLLOKOSA-N 0 3 344.249 2.900 20 10 EFCDHN CCN1CCN(Cc2cc(OC)c(Br)cc2O)C[C@H]1C ZINC001236751295 1313522325 /nfs/dbraw/zinc/52/23/25/1313522325.db2.gz SMDOQENYNQYLKZ-LLVKDONJSA-N 0 3 343.265 2.689 20 10 EFCDHN COc1cc(C[N@@H+]2CCC[C@@H]2C(C)(C)O)c([O-])cc1Br ZINC001236757435 1313523151 /nfs/dbraw/zinc/52/31/51/1313523151.db2.gz UPYHJJHMXABCDN-CQSZACIVSA-N 0 3 344.249 2.899 20 10 EFCDHN COc1cc(C[N@H+]2CCC[C@@H]2C(C)(C)O)c([O-])cc1Br ZINC001236757435 1313523154 /nfs/dbraw/zinc/52/31/54/1313523154.db2.gz UPYHJJHMXABCDN-CQSZACIVSA-N 0 3 344.249 2.899 20 10 EFCDHN COc1cc(CN2CC[C@H]3OCC[C@@H]3C2)c(O)cc1Br ZINC001236756080 1313523172 /nfs/dbraw/zinc/52/31/72/1313523172.db2.gz IJYCGBVKMGDLMU-QMTHXVAHSA-N 0 3 342.233 2.774 20 10 EFCDHN CCc1nc(C2CCN(Cc3cc(OC)c(OC)cc3O)CC2)no1 ZINC001236758010 1313523471 /nfs/dbraw/zinc/52/34/71/1313523471.db2.gz VXLOPCQPKXXRLW-UHFFFAOYSA-N 0 3 347.415 2.734 20 10 EFCDHN C[N@H+](Cc1cc(O)c(Br)cc1[O-])[C@H]1CC[C@H](O)CC1 ZINC001236763747 1313524377 /nfs/dbraw/zinc/52/43/77/1313524377.db2.gz BXSHCWCZMXQRTF-XYPYZODXSA-N 0 3 330.222 2.596 20 10 EFCDHN C[N@@H+](Cc1cc(O)c(Br)cc1[O-])[C@H]1CC[C@H](O)CC1 ZINC001236763747 1313524380 /nfs/dbraw/zinc/52/43/80/1313524380.db2.gz BXSHCWCZMXQRTF-XYPYZODXSA-N 0 3 330.222 2.596 20 10 EFCDHN CCc1ccc(C[NH+]2C[C@H]3CN(C(=O)c4ccco4)C[C@@H]3C2)c([O-])c1 ZINC001236787623 1313528377 /nfs/dbraw/zinc/52/83/77/1313528377.db2.gz LITXBMPWNWJGMZ-IRXDYDNUSA-N 0 3 340.423 2.752 20 10 EFCDHN CCc1ccc(CN2CCN(CCc3ccccn3)CC2)c(O)c1 ZINC001236786758 1313528431 /nfs/dbraw/zinc/52/84/31/1313528431.db2.gz IHDXPRWYVMQFNX-UHFFFAOYSA-N 0 3 325.456 2.710 20 10 EFCDHN CCc1ccc(CN2CCC[C@@H](NC(=O)c3ccccn3)C2)c(O)c1 ZINC001236789601 1313529501 /nfs/dbraw/zinc/52/95/01/1313529501.db2.gz ZTXFCDFKFWTZMX-QGZVFWFLSA-N 0 3 339.439 2.744 20 10 EFCDHN CCc1ccc(C[N@@H+]2C[C@@H]3[C@H](NC(=O)OC(C)(C)C)[C@@H]3C2)c([O-])c1 ZINC001236788020 1313529526 /nfs/dbraw/zinc/52/95/26/1313529526.db2.gz XRJASTJFZRJKEZ-SCAQPMJSSA-N 0 3 332.444 2.910 20 10 EFCDHN CCc1ccc(C[N@H+]2C[C@@H]3[C@H](NC(=O)OC(C)(C)C)[C@@H]3C2)c([O-])c1 ZINC001236788020 1313529528 /nfs/dbraw/zinc/52/95/28/1313529528.db2.gz XRJASTJFZRJKEZ-SCAQPMJSSA-N 0 3 332.444 2.910 20 10 EFCDHN COc1cc(C)c(C[N@@H+]2CCc3ncnc(C4CC4)c3CC2)c([O-])c1 ZINC001236812080 1313534958 /nfs/dbraw/zinc/53/49/58/1313534958.db2.gz VSNBRAGTUQVZQX-UHFFFAOYSA-N 0 3 339.439 2.977 20 10 EFCDHN COc1cc(C)c(C[N@H+]2CCc3ncnc(C4CC4)c3CC2)c([O-])c1 ZINC001236812080 1313534961 /nfs/dbraw/zinc/53/49/61/1313534961.db2.gz VSNBRAGTUQVZQX-UHFFFAOYSA-N 0 3 339.439 2.977 20 10 EFCDHN COc1cc(C)c(C[N@@H+]2CC[C@@H]3[C@H](CCN3C(=O)C(C)C)C2)c([O-])c1 ZINC001236811692 1313534972 /nfs/dbraw/zinc/53/49/72/1313534972.db2.gz RONFUYKCFSMNNB-CRAIPNDOSA-N 0 3 346.471 2.788 20 10 EFCDHN COc1cc(C)c(C[N@H+]2CC[C@@H]3[C@H](CCN3C(=O)C(C)C)C2)c([O-])c1 ZINC001236811692 1313534975 /nfs/dbraw/zinc/53/49/75/1313534975.db2.gz RONFUYKCFSMNNB-CRAIPNDOSA-N 0 3 346.471 2.788 20 10 EFCDHN COc1cc(C)c(C[NH+]2CCC3(CC(=O)N(C(C)C)C3)CC2)c([O-])c1 ZINC001236812536 1313534994 /nfs/dbraw/zinc/53/49/94/1313534994.db2.gz BCQFPIHFHRZQAC-UHFFFAOYSA-N 0 3 346.471 2.932 20 10 EFCDHN COc1cc(C)c(C[N@@H+]2CC[C@]3(C[C@H](OCC4CC4)CO3)C2)c([O-])c1 ZINC001236814529 1313535576 /nfs/dbraw/zinc/53/55/76/1313535576.db2.gz UBJVEUREJZZVEC-PXNSSMCTSA-N 0 3 347.455 2.869 20 10 EFCDHN COc1cc(C)c(C[N@H+]2CC[C@]3(C[C@H](OCC4CC4)CO3)C2)c([O-])c1 ZINC001236814529 1313535580 /nfs/dbraw/zinc/53/55/80/1313535580.db2.gz UBJVEUREJZZVEC-PXNSSMCTSA-N 0 3 347.455 2.869 20 10 EFCDHN COC(=O)[C@@H]1CN(Cc2c(C)cc(OC)cc2O)Cc2ccccc21 ZINC001236817237 1313535870 /nfs/dbraw/zinc/53/58/70/1313535870.db2.gz DGAUQUQAUOGVKC-GOSISDBHSA-N 0 3 341.407 2.982 20 10 EFCDHN COc1cc(C)c(CN2CCCN(C(=O)C3CCC3)CC2)c(O)c1 ZINC001236814095 1313536079 /nfs/dbraw/zinc/53/60/79/1313536079.db2.gz OYQGIKAYCVLOGJ-UHFFFAOYSA-N 0 3 332.444 2.544 20 10 EFCDHN COc1cc(C)c(CN2CCN(c3ccc(O)cc3)CC2)c(O)c1 ZINC001236819680 1313536444 /nfs/dbraw/zinc/53/64/44/1313536444.db2.gz ZESWYMBIHRHWNB-UHFFFAOYSA-N 0 3 328.412 2.737 20 10 EFCDHN COc1cc(C)c(C[NH+]2CCC(N(C(C)=O)C(C)C)CC2)c([O-])c1 ZINC001236821625 1313536556 /nfs/dbraw/zinc/53/65/56/1313536556.db2.gz RQXHGWFIGDIRCW-UHFFFAOYSA-N 0 3 334.460 2.931 20 10 EFCDHN COc1ncnc2c1CC[N@H+](Cc1cc3ccccc3cc1[O-])CC2 ZINC001236829155 1313538132 /nfs/dbraw/zinc/53/81/32/1313538132.db2.gz FDNDFEWVHDBJOV-UHFFFAOYSA-N 0 3 335.407 2.945 20 10 EFCDHN COc1ncnc2c1CC[N@@H+](Cc1cc3ccccc3cc1[O-])CC2 ZINC001236829155 1313538134 /nfs/dbraw/zinc/53/81/34/1313538134.db2.gz FDNDFEWVHDBJOV-UHFFFAOYSA-N 0 3 335.407 2.945 20 10 EFCDHN Clc1cc(N2CCOCC2)ccc1CN1CC[C@@H]2OCC[C@H]2C1 ZINC001236918284 1313553342 /nfs/dbraw/zinc/55/33/42/1313553342.db2.gz DRJJDWWMZKNKSQ-YJBOKZPZSA-N 0 3 336.863 2.787 20 10 EFCDHN OC[C@@H]1CCCN(Cc2ccc(N3CCOCC3)cc2Cl)CC1 ZINC001236925997 1313554533 /nfs/dbraw/zinc/55/45/33/1313554533.db2.gz ZYBDVEJNLUJZTK-OAHLLOKOSA-N 0 3 338.879 2.771 20 10 EFCDHN CCN(CC)c1ccc(CN2CCNC[C@H]2C(F)(F)F)c(OC)c1 ZINC001236977837 1313564694 /nfs/dbraw/zinc/56/46/94/1313564694.db2.gz XGTTWKPAJCHJFE-INIZCTEOSA-N 0 3 345.409 2.878 20 10 EFCDHN COc1ccc2ccc(O)c(CN3CCNC[C@H]3C(F)(F)F)c2c1 ZINC001236981782 1313566145 /nfs/dbraw/zinc/56/61/45/1313566145.db2.gz NXIXFNZFOYNCMH-INIZCTEOSA-N 0 3 340.345 2.890 20 10 EFCDHN CCOc1ccc(C[N@@H+]2C[C@@H]3C(=O)Nc4ccccc4[C@H]3C2)c([O-])c1 ZINC001237049114 1313576184 /nfs/dbraw/zinc/57/61/84/1313576184.db2.gz DQNYHZAHPVDPBG-SJORKVTESA-N 0 3 338.407 2.959 20 10 EFCDHN CCOc1ccc(C[N@H+]2C[C@@H]3C(=O)Nc4ccccc4[C@H]3C2)c([O-])c1 ZINC001237049114 1313576187 /nfs/dbraw/zinc/57/61/87/1313576187.db2.gz DQNYHZAHPVDPBG-SJORKVTESA-N 0 3 338.407 2.959 20 10 EFCDHN COC(=O)[C@H]1COCCC12CN(Cc1ccc(C(C)C)cc1O)C2 ZINC001237050231 1313576214 /nfs/dbraw/zinc/57/62/14/1313576214.db2.gz ZPJCPBQWSVNJCE-MRXNPFEDSA-N 0 3 333.428 2.527 20 10 EFCDHN CCOc1ccc(C[N@H+]2CCC[C@@]3(C[C@H](OCC)CO3)C2)c([O-])c1 ZINC001237044283 1313574081 /nfs/dbraw/zinc/57/40/81/1313574081.db2.gz XXGCUEHWQCXRKF-PKOBYXMFSA-N 0 3 335.444 2.951 20 10 EFCDHN CCOc1ccc(C[N@@H+]2CCC[C@@]3(C[C@H](OCC)CO3)C2)c([O-])c1 ZINC001237044283 1313574084 /nfs/dbraw/zinc/57/40/84/1313574084.db2.gz XXGCUEHWQCXRKF-PKOBYXMFSA-N 0 3 335.444 2.951 20 10 EFCDHN CCOc1ccc(C[N@@H+]2CC[C@H]3OCCC[C@@]3(COC)C2)c([O-])c1 ZINC001237041759 1313574096 /nfs/dbraw/zinc/57/40/96/1313574096.db2.gz UAYAZUWQZDLJQE-MOPGFXCFSA-N 0 3 335.444 2.808 20 10 EFCDHN CCOc1ccc(C[N@H+]2CC[C@H]3OCCC[C@@]3(COC)C2)c([O-])c1 ZINC001237041759 1313574100 /nfs/dbraw/zinc/57/41/00/1313574100.db2.gz UAYAZUWQZDLJQE-MOPGFXCFSA-N 0 3 335.444 2.808 20 10 EFCDHN CCOc1ccc(C[NH+]2CCC(NC(=O)C(C)(C)C)CC2)c([O-])c1 ZINC001237048002 1313574986 /nfs/dbraw/zinc/57/49/86/1313574986.db2.gz OIZPWPZIAQUZJP-UHFFFAOYSA-N 0 3 334.460 2.918 20 10 EFCDHN CCOc1ccc(C[N@@H+]2CC[C@@H](Oc3cccc(OC)n3)C2)c([O-])c1 ZINC001237046833 1313575449 /nfs/dbraw/zinc/57/54/49/1313575449.db2.gz GRSZQLLIAVLTHB-MRXNPFEDSA-N 0 3 344.411 2.848 20 10 EFCDHN CCOc1ccc(C[N@H+]2CC[C@@H](Oc3cccc(OC)n3)C2)c([O-])c1 ZINC001237046833 1313575453 /nfs/dbraw/zinc/57/54/53/1313575453.db2.gz GRSZQLLIAVLTHB-MRXNPFEDSA-N 0 3 344.411 2.848 20 10 EFCDHN CCOc1ccc(CN2CCC[C@@H](C(F)(F)F)[C@H]2CO)c(O)c1 ZINC001237049848 1313575783 /nfs/dbraw/zinc/57/57/83/1313575783.db2.gz MHFUPPSGLDLOTP-ZIAGYGMSSA-N 0 3 333.350 2.926 20 10 EFCDHN CCOc1ccc(C[N@@H+]2CC[C@H](Oc3nccc(C)n3)C2)c([O-])c1 ZINC001237048471 1313575833 /nfs/dbraw/zinc/57/58/33/1313575833.db2.gz SFCVSIYCQVIPOU-INIZCTEOSA-N 0 3 329.400 2.543 20 10 EFCDHN CCOc1ccc(C[N@H+]2CC[C@H](Oc3nccc(C)n3)C2)c([O-])c1 ZINC001237048471 1313575837 /nfs/dbraw/zinc/57/58/37/1313575837.db2.gz SFCVSIYCQVIPOU-INIZCTEOSA-N 0 3 329.400 2.543 20 10 EFCDHN COC(=O)[C@@H]1COCCC12CN(Cc1ccc(C(C)C)cc1O)C2 ZINC001237050230 1313576434 /nfs/dbraw/zinc/57/64/34/1313576434.db2.gz ZPJCPBQWSVNJCE-INIZCTEOSA-N 0 3 333.428 2.527 20 10 EFCDHN CCOc1ccc(C[N@@H+]2CC[C@H](Oc3nccnc3C)C2)c([O-])c1 ZINC001237048867 1313576460 /nfs/dbraw/zinc/57/64/60/1313576460.db2.gz YQWFIJZBTRATEL-INIZCTEOSA-N 0 3 329.400 2.543 20 10 EFCDHN CCOc1ccc(C[N@H+]2CC[C@H](Oc3nccnc3C)C2)c([O-])c1 ZINC001237048867 1313576462 /nfs/dbraw/zinc/57/64/62/1313576462.db2.gz YQWFIJZBTRATEL-INIZCTEOSA-N 0 3 329.400 2.543 20 10 EFCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@@H+]1CC[C@@H]2CCO[C@H]2C1 ZINC001237053441 1313576675 /nfs/dbraw/zinc/57/66/75/1313576675.db2.gz LQGXOPVPSYWKKG-ABAIWWIYSA-N 0 3 331.334 2.944 20 10 EFCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@H+]1CC[C@@H]2CCO[C@H]2C1 ZINC001237053441 1313576678 /nfs/dbraw/zinc/57/66/78/1313576678.db2.gz LQGXOPVPSYWKKG-ABAIWWIYSA-N 0 3 331.334 2.944 20 10 EFCDHN C[C@@H]1CC[N@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])CC[C@@H]1O ZINC001237052879 1313576960 /nfs/dbraw/zinc/57/69/60/1313576960.db2.gz DJBGWYXCLDWMBA-RISCZKNCSA-N 0 3 333.350 2.926 20 10 EFCDHN C[C@@H]1CC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])CC[C@@H]1O ZINC001237052879 1313576963 /nfs/dbraw/zinc/57/69/63/1313576963.db2.gz DJBGWYXCLDWMBA-RISCZKNCSA-N 0 3 333.350 2.926 20 10 EFCDHN CC(C)c1ccc(C[N@@H+]2C[C@H]3CN(CC4CC4)C(=O)[C@H]3C2)c([O-])c1 ZINC001237051204 1313577376 /nfs/dbraw/zinc/57/73/76/1313577376.db2.gz JPEHAPHXYZQQJK-ROUUACIJSA-N 0 3 328.456 2.816 20 10 EFCDHN CC(C)c1ccc(C[N@H+]2C[C@H]3CN(CC4CC4)C(=O)[C@H]3C2)c([O-])c1 ZINC001237051204 1313577380 /nfs/dbraw/zinc/57/73/80/1313577380.db2.gz JPEHAPHXYZQQJK-ROUUACIJSA-N 0 3 328.456 2.816 20 10 EFCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC001237057347 1313577540 /nfs/dbraw/zinc/57/75/40/1313577540.db2.gz BNBYWWQSMGXMPD-DOMZBBRYSA-N 0 3 331.334 2.944 20 10 EFCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC001237057347 1313577544 /nfs/dbraw/zinc/57/75/44/1313577544.db2.gz BNBYWWQSMGXMPD-DOMZBBRYSA-N 0 3 331.334 2.944 20 10 EFCDHN C[C@H]1C[N@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])CCC[C@@H]1O ZINC001237053779 1313578171 /nfs/dbraw/zinc/57/81/71/1313578171.db2.gz QHMYEKSRFOBSEP-FZMZJTMJSA-N 0 3 333.350 2.926 20 10 EFCDHN C[C@H]1C[N@@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])CCC[C@@H]1O ZINC001237053779 1313578173 /nfs/dbraw/zinc/57/81/73/1313578173.db2.gz QHMYEKSRFOBSEP-FZMZJTMJSA-N 0 3 333.350 2.926 20 10 EFCDHN C[N@H+](CCC1OCCO1)Cc1ccc(OCC(F)(F)F)cc1[O-] ZINC001237059420 1313578685 /nfs/dbraw/zinc/57/86/85/1313578685.db2.gz MUOFXWLMHNMKRX-UHFFFAOYSA-N 0 3 335.322 2.528 20 10 EFCDHN C[N@@H+](CCC1OCCO1)Cc1ccc(OCC(F)(F)F)cc1[O-] ZINC001237059420 1313578688 /nfs/dbraw/zinc/57/86/88/1313578688.db2.gz MUOFXWLMHNMKRX-UHFFFAOYSA-N 0 3 335.322 2.528 20 10 EFCDHN COC(=O)C[C@H]1CC[N@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])C1 ZINC001237058688 1313578775 /nfs/dbraw/zinc/57/87/75/1313578775.db2.gz DEQNLESKGAMLQK-LLVKDONJSA-N 0 3 347.333 2.718 20 10 EFCDHN COC(=O)C[C@H]1CC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])C1 ZINC001237058688 1313578776 /nfs/dbraw/zinc/57/87/76/1313578776.db2.gz DEQNLESKGAMLQK-LLVKDONJSA-N 0 3 347.333 2.718 20 10 EFCDHN Cc1noc([C@H]2CCN(Cc3c(O)cccc3OC(F)(F)F)C2)n1 ZINC001237114935 1313588179 /nfs/dbraw/zinc/58/81/79/1313588179.db2.gz POHNOEZUDRZRNG-JTQLQIEISA-N 0 3 343.305 2.972 20 10 EFCDHN Cc1nccnc1O[C@H]1CC[N@H+](Cc2c([O-])ccc(F)c2Cl)C1 ZINC001237125218 1313591074 /nfs/dbraw/zinc/59/10/74/1313591074.db2.gz ASWZFUHPNKPYDO-NSHDSACASA-N 0 3 337.782 2.936 20 10 EFCDHN Cc1nccnc1O[C@H]1CC[N@@H+](Cc2c([O-])ccc(F)c2Cl)C1 ZINC001237125218 1313591078 /nfs/dbraw/zinc/59/10/78/1313591078.db2.gz ASWZFUHPNKPYDO-NSHDSACASA-N 0 3 337.782 2.936 20 10 EFCDHN CCOC(=O)NC1CCN(Cc2c(O)ccc(F)c2Cl)CC1 ZINC001237128540 1313591658 /nfs/dbraw/zinc/59/16/58/1313591658.db2.gz RIROAKXYHZKVLC-UHFFFAOYSA-N 0 3 330.787 2.895 20 10 EFCDHN CN(Cc1ccc(N2CCS(=O)(=O)CC2)cc1)CC1CCCC1 ZINC001237210627 1313606555 /nfs/dbraw/zinc/60/65/55/1313606555.db2.gz RQHIJXFKDPMRHS-UHFFFAOYSA-N 0 3 336.501 2.543 20 10 EFCDHN C[C@@H]1CCN(Cc2ccc(N3CCS(=O)(=O)CC3)cc2)[C@@H](C)C1 ZINC001237211317 1313607032 /nfs/dbraw/zinc/60/70/32/1313607032.db2.gz DZHTZBKKRKJANW-CVEARBPZSA-N 0 3 336.501 2.542 20 10 EFCDHN [O-]c1ccccc1C[N@H+](C[C@@H](O)c1ccccn1)C[C@H]1CCCO1 ZINC000851840629 1299427690 /nfs/dbraw/zinc/42/76/90/1299427690.db2.gz JABWRYFVICGVJH-VQIMIIECSA-N 0 3 328.412 2.502 20 10 EFCDHN [O-]c1ccccc1C[N@@H+](C[C@@H](O)c1ccccn1)C[C@H]1CCCO1 ZINC000851840629 1299427691 /nfs/dbraw/zinc/42/76/91/1299427691.db2.gz JABWRYFVICGVJH-VQIMIIECSA-N 0 3 328.412 2.502 20 10 EFCDHN [O-]c1cccc(Br)c1CN1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237394863 1313635968 /nfs/dbraw/zinc/63/59/68/1313635968.db2.gz WPKLPUMZYRUORA-BXUZGUMPSA-N 0 3 325.250 2.729 20 10 EFCDHN Cc1cccc([O-])c1C[NH+]1CCC2(CC(N3CCCC3)=NO2)CC1 ZINC001237489416 1313654823 /nfs/dbraw/zinc/65/48/23/1313654823.db2.gz HITJTJJYCIQXIS-UHFFFAOYSA-N 0 3 329.444 2.865 20 10 EFCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@]2(CC(=O)N(c3ccccn3)C2)C1 ZINC001237487548 1313655380 /nfs/dbraw/zinc/65/53/80/1313655380.db2.gz ANVZVLFGSBKUBD-HXUWFJFHSA-N 0 3 337.423 2.725 20 10 EFCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@]2(CC(=O)N(c3ccccn3)C2)C1 ZINC001237487548 1313655383 /nfs/dbraw/zinc/65/53/83/1313655383.db2.gz ANVZVLFGSBKUBD-HXUWFJFHSA-N 0 3 337.423 2.725 20 10 EFCDHN CC(C)(C)c1cc(O)c(O)c(CN2CCC[C@@H](N3CCCC3=O)C2)c1 ZINC000111171241 1300050209 /nfs/dbraw/zinc/05/02/09/1300050209.db2.gz ORVUGMQASZRXCO-MRXNPFEDSA-N 0 3 346.471 2.982 20 10 EFCDHN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@H]2CCCN(CC3CC3)C2)c1 ZINC000853241703 1300062320 /nfs/dbraw/zinc/06/23/20/1300062320.db2.gz XEYISNNIACDFNW-GDBMZVCRSA-N 0 3 346.471 2.951 20 10 EFCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@H]4NC(=O)CC[C@H]4C3)c2c1 ZINC000853555982 1300163552 /nfs/dbraw/zinc/16/35/52/1300163552.db2.gz UKZHWCXEWCPXJZ-KBXCAEBGSA-N 0 3 340.423 2.655 20 10 EFCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@H]4NC(=O)CC[C@H]4C3)c2c1 ZINC000853555982 1300163559 /nfs/dbraw/zinc/16/35/59/1300163559.db2.gz UKZHWCXEWCPXJZ-KBXCAEBGSA-N 0 3 340.423 2.655 20 10 EFCDHN CN(c1ccccc1)[C@@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000853585833 1300179773 /nfs/dbraw/zinc/17/97/73/1300179773.db2.gz UQFNPPQEJNECFU-VQIMIIECSA-N 0 3 340.423 2.529 20 10 EFCDHN CN(c1ccccc1)[C@@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000853585833 1300179776 /nfs/dbraw/zinc/17/97/76/1300179776.db2.gz UQFNPPQEJNECFU-VQIMIIECSA-N 0 3 340.423 2.529 20 10 EFCDHN C[C@]1(O)COCC[N@H+](Cc2cc(-c3ccc(F)cc3)ccc2[O-])C1 ZINC001237640659 1313683030 /nfs/dbraw/zinc/68/30/30/1313683030.db2.gz DLAUQIFMGGWJCZ-LJQANCHMSA-N 0 3 331.387 2.782 20 10 EFCDHN C[C@]1(O)COCC[N@@H+](Cc2cc(-c3ccc(F)cc3)ccc2[O-])C1 ZINC001237640659 1313683031 /nfs/dbraw/zinc/68/30/31/1313683031.db2.gz DLAUQIFMGGWJCZ-LJQANCHMSA-N 0 3 331.387 2.782 20 10 EFCDHN C[C@]1(CO)CC[N@H+](Cc2cc(-c3ccc(F)cc3)ccc2[O-])C[C@@H]1O ZINC001237640460 1313682379 /nfs/dbraw/zinc/68/23/79/1313682379.db2.gz BTOINQDBYGNQCU-VQTJNVASSA-N 0 3 345.414 2.764 20 10 EFCDHN C[C@]1(CO)CC[N@@H+](Cc2cc(-c3ccc(F)cc3)ccc2[O-])C[C@@H]1O ZINC001237640460 1313682383 /nfs/dbraw/zinc/68/23/83/1313682383.db2.gz BTOINQDBYGNQCU-VQTJNVASSA-N 0 3 345.414 2.764 20 10 EFCDHN COc1cc(CN2C[C@H]3c4ccccc4C(=O)[C@H]3C2)c(O)c(OC)c1 ZINC001237670563 1313687988 /nfs/dbraw/zinc/68/79/88/1313687988.db2.gz TTXYWWHUELEXGE-IRXDYDNUSA-N 0 3 339.391 2.821 20 10 EFCDHN COc1cc(CN2CC[C@@](O)(C(F)(F)F)[C@@H](C)C2)c(O)c(OC)c1 ZINC001237670325 1313688074 /nfs/dbraw/zinc/68/80/74/1313688074.db2.gz SRGQKIQRTYGJBF-BONVTDFDSA-N 0 3 349.349 2.545 20 10 EFCDHN CN1CCC2(C[NH+](Cc3cc(-c4ccc(F)cc4)ccc3[O-])C2)C1=O ZINC001237649569 1313684667 /nfs/dbraw/zinc/68/46/67/1313684667.db2.gz LTLIEAZICCFHDV-UHFFFAOYSA-N 0 3 340.398 2.862 20 10 EFCDHN COc1cc(CN(C)Cc2ccc3c(c2)OCCO3)c(O)c(OC)c1 ZINC001237674376 1313689486 /nfs/dbraw/zinc/68/94/86/1313689486.db2.gz FDGLPSXYMTVCBG-UHFFFAOYSA-N 0 3 345.395 2.813 20 10 EFCDHN Cc1cc(O)c(CN2C[C@@H](C)N(C)[C@@H](C)C2)cc1Br ZINC001237683102 1313690998 /nfs/dbraw/zinc/69/09/98/1313690998.db2.gz WPJKSQUTHCTHBU-TXEJJXNPSA-N 0 3 327.266 2.988 20 10 EFCDHN COc1cc(CN2CCC[C@H](Oc3ccncc3)C2)c(O)c(OC)c1 ZINC001237684165 1313691532 /nfs/dbraw/zinc/69/15/32/1313691532.db2.gz NEQUXWSQFRYOBM-INIZCTEOSA-N 0 3 344.411 2.848 20 10 EFCDHN COc1cc(CN2CC[C@@H](C(=O)OC(C)(C)C)C2)c(O)c(OC)c1 ZINC001237676202 1313689097 /nfs/dbraw/zinc/68/90/97/1313689097.db2.gz KUOKJPYMKUVQHH-GFCCVEGCSA-N 0 3 337.416 2.573 20 10 EFCDHN COc1cc(CN2CCC[C@@](O)(C(F)(F)F)CC2)c(O)c(OC)c1 ZINC001237675079 1313689199 /nfs/dbraw/zinc/68/91/99/1313689199.db2.gz SCDDHJJFRXESKE-HNNXBMFYSA-N 0 3 349.349 2.689 20 10 EFCDHN COc1cc(CN2CCc3n[nH]c(=O)cc3C2)c(O)c(C(C)(C)C)c1 ZINC000825550164 1300439030 /nfs/dbraw/zinc/43/90/30/1300439030.db2.gz ZBPPIWMNEGFOKJ-UHFFFAOYSA-N 0 3 343.427 2.752 20 10 EFCDHN CNC(=O)c1ccc(CN(C)Cc2cc(C)cc(OC)c2O)cc1 ZINC000111996263 1300460788 /nfs/dbraw/zinc/46/07/88/1300460788.db2.gz LSFAQCVCZKRFDJ-UHFFFAOYSA-N 0 3 328.412 2.701 20 10 EFCDHN CCOC(=O)NC1CCN(Cc2cc(F)c(Cl)cc2[O-])CC1 ZINC001237939414 1313733946 /nfs/dbraw/zinc/73/39/46/1313733946.db2.gz CAVGCJKKSQIYBC-UHFFFAOYSA-N 0 3 330.787 2.895 20 10 EFCDHN CCOC(=O)NC1CCN(Cc2cc(F)c(Cl)cc2O)CC1 ZINC001237939414 1313733949 /nfs/dbraw/zinc/73/39/49/1313733949.db2.gz CAVGCJKKSQIYBC-UHFFFAOYSA-N 0 3 330.787 2.895 20 10 EFCDHN Cc1cc(F)cc(C[N@@H+]2C[C@H]3CCN(c4ncccn4)C[C@H]3C2)c1[O-] ZINC001238063240 1313753896 /nfs/dbraw/zinc/75/38/96/1313753896.db2.gz YUDLSSHQFSSKBL-GDBMZVCRSA-N 0 3 342.418 2.588 20 10 EFCDHN Cc1cc(F)cc(C[N@H+]2C[C@H]3CCN(c4ncccn4)C[C@H]3C2)c1[O-] ZINC001238063240 1313753899 /nfs/dbraw/zinc/75/38/99/1313753899.db2.gz YUDLSSHQFSSKBL-GDBMZVCRSA-N 0 3 342.418 2.588 20 10 EFCDHN Cc1cc(F)cc(C[N@@H+]2C[C@@H]3C[C@H](C(=O)NC4CCC4)C[C@@H]3C2)c1[O-] ZINC001238061642 1313753339 /nfs/dbraw/zinc/75/33/39/1313753339.db2.gz PLQLGKJWEZAQPQ-QKDCVEJESA-N 0 3 346.446 2.966 20 10 EFCDHN Cc1cc(F)cc(C[N@H+]2C[C@@H]3C[C@H](C(=O)NC4CCC4)C[C@@H]3C2)c1[O-] ZINC001238061642 1313753340 /nfs/dbraw/zinc/75/33/40/1313753340.db2.gz PLQLGKJWEZAQPQ-QKDCVEJESA-N 0 3 346.446 2.966 20 10 EFCDHN Cc1cc(F)cc(C[NH+]2C[C@H]3CN(Cc4nccs4)C[C@@H]3C2)c1[O-] ZINC001238062033 1313753647 /nfs/dbraw/zinc/75/36/47/1313753647.db2.gz SMAVLXMWTKVREO-GJZGRUSLSA-N 0 3 347.459 2.860 20 10 EFCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+]CCCn1cncn1 ZINC000862277599 1302326352 /nfs/dbraw/zinc/32/63/52/1302326352.db2.gz GVCFQUHENAOKRZ-UHFFFAOYSA-N 0 3 338.411 2.743 20 10 EFCDHN Cc1ccc(O)c(CNC(=O)[C@H]2CCCN(Cc3cccnc3)C2)c1 ZINC000862758621 1302451532 /nfs/dbraw/zinc/45/15/32/1302451532.db2.gz DTWQJOAHFQRNDF-KRWDZBQOSA-N 0 3 339.439 2.624 20 10 EFCDHN O=C([C@H]1[C@H]2CC[C@@H]1C[N@H+](Cc1cc(F)ccc1[O-])C2)N1CCCCO1 ZINC001278257416 1313846445 /nfs/dbraw/zinc/84/64/45/1313846445.db2.gz VRYXBSVYENZDQK-ZSBFGKGUSA-N 0 3 348.418 2.543 20 10 EFCDHN O=C([C@H]1[C@H]2CC[C@@H]1C[N@@H+](Cc1cc(F)ccc1[O-])C2)N1CCCCO1 ZINC001278257416 1313846448 /nfs/dbraw/zinc/84/64/48/1313846448.db2.gz VRYXBSVYENZDQK-ZSBFGKGUSA-N 0 3 348.418 2.543 20 10 EFCDHN Cc1c(CN2CC3(CN(Cc4cn[nH]c4)C3)C2)c2ccccc2n1C ZINC001276557345 1313852376 /nfs/dbraw/zinc/85/23/76/1313852376.db2.gz ZKZGSDURNUXHGB-UHFFFAOYSA-N 0 3 335.455 2.528 20 10 EFCDHN COc1ccc2ccc([O-])c(C[N@@H+]3C[C@@H](C)O[C@]4(CCOC4)C3)c2c1 ZINC000794707372 1303016289 /nfs/dbraw/zinc/01/62/89/1303016289.db2.gz RNTVDFLFBVPERI-JLTOFOAXSA-N 0 3 343.423 2.934 20 10 EFCDHN COc1ccc2ccc([O-])c(C[N@H+]3C[C@@H](C)O[C@]4(CCOC4)C3)c2c1 ZINC000794707372 1303016297 /nfs/dbraw/zinc/01/62/97/1303016297.db2.gz RNTVDFLFBVPERI-JLTOFOAXSA-N 0 3 343.423 2.934 20 10 EFCDHN CC[C@@H]([NH2+]CCc1ccc(S(N)(=O)=O)cc1)c1ccc(C)cc1[O-] ZINC000794796905 1303075909 /nfs/dbraw/zinc/07/59/09/1303075909.db2.gz YATPNHBRLMCYFM-QGZVFWFLSA-N 0 3 348.468 2.631 20 10 EFCDHN CC[C@H]([NH2+]CCNS(=O)(=O)c1ccccc1)c1ccc(C)cc1[O-] ZINC000794804004 1303105833 /nfs/dbraw/zinc/10/58/33/1303105833.db2.gz LKVSGKPIEGXCBS-KRWDZBQOSA-N 0 3 348.468 2.720 20 10 EFCDHN CCC[C@H](CCO)[NH2+]Cc1cc(Br)cc(OC)c1[O-] ZINC000865662621 1303358338 /nfs/dbraw/zinc/35/83/38/1303358338.db2.gz BZYZMKFRWRTOQL-GFCCVEGCSA-N 0 3 332.238 2.804 20 10 EFCDHN COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3ccccc3[O-])C2)cc1C ZINC001018537375 1313930189 /nfs/dbraw/zinc/93/01/89/1313930189.db2.gz LTTAHIKGDWLWHS-INIZCTEOSA-N 0 3 340.423 2.714 20 10 EFCDHN COc1cccc(CN2CCN(CCc3ccccc3)CC2)c1O ZINC000122320251 1304491645 /nfs/dbraw/zinc/49/16/45/1304491645.db2.gz FQODJXSJNKGHKA-UHFFFAOYSA-N 0 3 326.440 2.761 20 10 EFCDHN CCOc1ccc(C[NH2+]Cc2ccc(C[S@](C)=O)cc2)c([O-])c1 ZINC000796525610 1305821052 /nfs/dbraw/zinc/82/10/52/1305821052.db2.gz FCPSBQHYZZWXFR-QHCPKHFHSA-N 0 3 333.453 2.959 20 10 EFCDHN Cc1ccc(C)n1-c1ccc(CN2CC[C@@H](O)[C@](C)(CO)C2)cc1 ZINC001209516390 1314178865 /nfs/dbraw/zinc/17/88/65/1314178865.db2.gz FKSJIXZMRRXNGG-UXHICEINSA-N 0 3 328.456 2.659 20 10 EFCDHN CCCCN(CC(=O)NCc1ccccn1)Cc1ccccc1O ZINC000801597713 1310577709 /nfs/dbraw/zinc/57/77/09/1310577709.db2.gz MVIXOADYJLQNTR-UHFFFAOYSA-N 0 3 327.428 2.706 20 10 EFCDHN [O-]c1cccc(Br)c1CN1CCC[C@@]2(CCC[NH2+]2)C1 ZINC001222356307 1311119059 /nfs/dbraw/zinc/11/90/59/1311119059.db2.gz YXEQTVLMPDRSRD-HNNXBMFYSA-N 0 3 325.250 2.873 20 10 EFCDHN Cc1cc([O-])c(CN2CC[C@]3(CCC[NH2+]3)C2)cc1Br ZINC001222477116 1311138633 /nfs/dbraw/zinc/13/86/33/1311138633.db2.gz HWXSSOBDBGZMGG-OAHLLOKOSA-N 0 3 325.250 2.791 20 10 EFCDHN CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000802169704 1311419947 /nfs/dbraw/zinc/41/99/47/1311419947.db2.gz QGDKSRXEMWFSQM-MRXNPFEDSA-N 0 3 331.460 2.941 20 10 EFCDHN COc1ccc(N2CC[C@H]3[C@@H]2CCN3Cc2ccc[nH]2)c(OC)c1 ZINC001276993910 1311430033 /nfs/dbraw/zinc/43/00/33/1311430033.db2.gz IIQCKXXFRKXCRQ-IRXDYDNUSA-N 0 3 327.428 2.885 20 10 EFCDHN Cc1cc(CN2CC[C@H]3C[N@@H+](C)C[C@H]32)c([O-])cc1Br ZINC001277144069 1311701439 /nfs/dbraw/zinc/70/14/39/1311701439.db2.gz MOZSZVLXQGBWRK-SMDDNHRTSA-N 0 3 325.250 2.599 20 10 EFCDHN Cc1cc(CN2CC[C@H]3C[N@H+](C)C[C@H]32)c([O-])cc1Br ZINC001277144069 1311701443 /nfs/dbraw/zinc/70/14/43/1311701443.db2.gz MOZSZVLXQGBWRK-SMDDNHRTSA-N 0 3 325.250 2.599 20 10 EFCDHN COc1ccc2ccc([O-])c(C[NH+]3CCC4(CNC(=O)O4)CC3)c2c1 ZINC000902498620 1311804085 /nfs/dbraw/zinc/80/40/85/1311804085.db2.gz GHWMWSIUDONWSW-UHFFFAOYSA-N 0 3 342.395 2.628 20 10 EFCDHN COc1ccc2ccc(O)c(CN3CCO[C@@H]4COCC[C@@H]43)c2c1 ZINC000902627547 1311957502 /nfs/dbraw/zinc/95/75/02/1311957502.db2.gz WETYQWXDSGSXPQ-PKOBYXMFSA-N 0 3 329.396 2.544 20 10 EFCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCO[C@@H]4COCC[C@@H]43)c2c1 ZINC000902627547 1311957508 /nfs/dbraw/zinc/95/75/08/1311957508.db2.gz WETYQWXDSGSXPQ-PKOBYXMFSA-N 0 3 329.396 2.544 20 10 EFCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCO[C@@H]4COCC[C@@H]43)c2c1 ZINC000902627547 1311957511 /nfs/dbraw/zinc/95/75/11/1311957511.db2.gz WETYQWXDSGSXPQ-PKOBYXMFSA-N 0 3 329.396 2.544 20 10 EFCDHN CCN(CC)c1ccc(CN2CCC3(CNC(=O)C3)CC2)cc1F ZINC000271153679 1312096109 /nfs/dbraw/zinc/09/61/09/1312096109.db2.gz AIWCEELPGQUNPH-UHFFFAOYSA-N 0 3 333.451 2.774 20 10 EFCDHN COc1ccc(C[NH+]2CCC3(C[C@H]3C(=O)NC(C)(C)C)CC2)c([O-])c1 ZINC001277454602 1312230805 /nfs/dbraw/zinc/23/08/05/1312230805.db2.gz WOKSUUMYRAIVBG-INIZCTEOSA-N 0 3 346.471 2.918 20 10 EFCDHN CCNS(=O)(=O)c1cccc(C[NH2+][C@@H](C)c2ccccc2[O-])c1 ZINC000903233513 1312484089 /nfs/dbraw/zinc/48/40/89/1312484089.db2.gz GPZLMOSHMWLWMA-ZDUSSCGKSA-N 0 3 334.441 2.541 20 10 EFCDHN COc1ccc(N2CCN(CCCNc3cccc(N)c3)CC2)cc1 ZINC001164336293 1312494572 /nfs/dbraw/zinc/49/45/72/1312494572.db2.gz WTSOVEHTXLYEFU-UHFFFAOYSA-N 0 3 340.471 2.902 20 10 EFCDHN COc1cc(CN2C[C@H]3c4ccccc4C(=O)[C@H]3C2)c(O)cc1O ZINC001231632999 1312535978 /nfs/dbraw/zinc/53/59/78/1312535978.db2.gz HKFXTQOFRDNLJY-GJZGRUSLSA-N 0 3 325.364 2.518 20 10 EFCDHN COc1cc(CN2CCN(Cc3ccccc3)C[C@H]2C)c(O)cc1O ZINC001231636077 1312536645 /nfs/dbraw/zinc/53/66/45/1312536645.db2.gz QCZQGBUMPTUQFI-OAHLLOKOSA-N 0 3 342.439 2.813 20 10 EFCDHN COc1cc(CN2C[C@@H]3C[C@H]2CN3Cc2ccccc2)c(O)cc1O ZINC001231636657 1312536979 /nfs/dbraw/zinc/53/69/79/1312536979.db2.gz ZJTHQKHNZRVTTJ-IRXDYDNUSA-N 0 3 340.423 2.565 20 10 EFCDHN COc1cc(CN2CCC[C@@H](Oc3cc(C)ccn3)C2)c(O)cc1O ZINC001231640175 1312537732 /nfs/dbraw/zinc/53/77/32/1312537732.db2.gz PVRZQTKKCIZUPZ-OAHLLOKOSA-N 0 3 344.411 2.853 20 10 EFCDHN CN(C)C(=O)[C@H]1[C@H]2CC[C@@H]1CN(Cc1ccc(N(C)C)cc1Cl)C2 ZINC001277551562 1312550374 /nfs/dbraw/zinc/55/03/74/1312550374.db2.gz PFZZSOWZVBIQGJ-JLVBRIDZSA-N 0 3 349.906 2.952 20 10 EFCDHN CO[C@@H]1CCOC[C@H]1[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-] ZINC000903300206 1312551133 /nfs/dbraw/zinc/55/11/33/1312551133.db2.gz WKXGBZULZNQXCF-ZLKJLUDKSA-N 0 3 344.249 2.918 20 10 EFCDHN Cc1ccc(C[NH+]2CCC3(C[C@@H]3C(=O)N3CC=CC3)CC2)c([O-])c1 ZINC001277568541 1312567833 /nfs/dbraw/zinc/56/78/33/1312567833.db2.gz SBJZRKYYSORWQX-QGZVFWFLSA-N 0 3 326.440 2.701 20 10 EFCDHN Cc1ccc(CN2CC3(C[C@@H]3C(=O)NC3CCC(F)CC3)C2)c(O)c1 ZINC001277569053 1312567914 /nfs/dbraw/zinc/56/79/14/1312567914.db2.gz UCWRXIRNFZOOBB-OFLPRAFFSA-N 0 3 346.446 2.919 20 10 EFCDHN CCOC[C@@H]1Cn2nccc2CN(Cc2c(C)cc(C)cc2O)C1 ZINC001231844839 1312573327 /nfs/dbraw/zinc/57/33/27/1312573327.db2.gz OFFFQJUCDIYURO-INIZCTEOSA-N 0 3 329.444 2.874 20 10 EFCDHN CCN1CC[C@@]2(CCCN(Cc3ccc(N(C)C)cc3OC)C2)C1=O ZINC001231853010 1312574734 /nfs/dbraw/zinc/57/47/34/1312574734.db2.gz QTARXADOXZBPRD-HXUWFJFHSA-N 0 3 345.487 2.596 20 10 EFCDHN CCN1C(=O)CCC12CCN(Cc1ccc(N(C)C)cc1OC)CC2 ZINC001231852420 1312574944 /nfs/dbraw/zinc/57/49/44/1312574944.db2.gz URBHMGXTXNZNFQ-UHFFFAOYSA-N 0 3 345.487 2.738 20 10 EFCDHN CCO[C@@H]1CN(Cc2ccc(N(C)C)cc2OC)[C@@H]2CCCO[C@H]12 ZINC001231852791 1312574978 /nfs/dbraw/zinc/57/49/78/1312574978.db2.gz PXZNXYQNFZSEIX-QRQLOZEOSA-N 0 3 334.460 2.530 20 10 EFCDHN CCN1CC2(CC1=O)CCN(Cc1ccc(N(C)C)cc1OC)CC2 ZINC001231854578 1312575258 /nfs/dbraw/zinc/57/52/58/1312575258.db2.gz FTINLFANHQRZNW-UHFFFAOYSA-N 0 3 345.487 2.596 20 10 EFCDHN Cc1cc(O)c(CN2C[C@H]3CN(CC4CC4)C[C@@H](C2)O3)cc1Cl ZINC001231868681 1312578062 /nfs/dbraw/zinc/57/80/62/1312578062.db2.gz FCFHXFKECTVIOW-IYBDPMFKSA-N 0 3 336.863 2.649 20 10 EFCDHN Cc1cc([O-])c(CN2Cc3nccn3C[C@H](C[NH+](C)C)C2)cc1Cl ZINC001231867424 1312578586 /nfs/dbraw/zinc/57/85/86/1312578586.db2.gz MTXKJWYGFQETJE-CQSZACIVSA-N 0 3 348.878 2.744 20 10 EFCDHN [O-]c1c(CN2CCO[C@H](C[NH+]3CCCC3)C2)ccc2ccccc21 ZINC001231883778 1312580458 /nfs/dbraw/zinc/58/04/58/1312580458.db2.gz PCQLVWDXOYACLJ-GOSISDBHSA-N 0 3 326.440 2.842 20 10 EFCDHN O=C1CCC[C@H]2CN(Cc3ccc(N4CCOCC4)c(Cl)c3)C[C@@H]12 ZINC001232204346 1312648930 /nfs/dbraw/zinc/64/89/30/1312648930.db2.gz LIUUDTCMNDVBCW-JKSUJKDBSA-N 0 3 348.874 2.978 20 10 EFCDHN Fc1cc(C2=CC[C@@H](N3CCOCC3)CC2)ccc1N1CCOCC1 ZINC001245427455 1314489473 /nfs/dbraw/zinc/48/94/73/1314489473.db2.gz PAOHCMMGCUILSA-GOSISDBHSA-N 0 3 346.446 2.930 20 10 EFCDHN CC[NH+](CC)Cc1cc(I)cc(OC)c1[O-] ZINC001248386511 1314930584 /nfs/dbraw/zinc/93/05/84/1314930584.db2.gz MOSBJDDNPLMGGM-UHFFFAOYSA-N 0 3 335.185 2.847 20 10 EFCDHN COc1cc(I)cc(C[N@H+](C)C2CC2)c1[O-] ZINC001248391003 1314931187 /nfs/dbraw/zinc/93/11/87/1314931187.db2.gz KATMFWGVKDBKQE-UHFFFAOYSA-N 0 3 333.169 2.600 20 10 EFCDHN COc1cc(I)cc(C[N@@H+](C)C2CC2)c1[O-] ZINC001248391003 1314931190 /nfs/dbraw/zinc/93/11/90/1314931190.db2.gz KATMFWGVKDBKQE-UHFFFAOYSA-N 0 3 333.169 2.600 20 10 EFCDHN CCOC(=O)[C@H]1CC[N@H+](Cc2ccc3c(c2[O-])C=CC(C)(C)O3)C1 ZINC001249252868 1315039874 /nfs/dbraw/zinc/03/98/74/1315039874.db2.gz YJZIFAZIOYDTKT-AWEZNQCLSA-N 0 3 331.412 2.961 20 10 EFCDHN CCOC(=O)[C@H]1CC[N@@H+](Cc2ccc3c(c2[O-])C=CC(C)(C)O3)C1 ZINC001249252868 1315039877 /nfs/dbraw/zinc/03/98/77/1315039877.db2.gz YJZIFAZIOYDTKT-AWEZNQCLSA-N 0 3 331.412 2.961 20 10 EFCDHN COC(=O)[C@H]1C[N@H+](Cc2ccc3c(c2[O-])C=CC(C)(C)O3)C[C@@H]1C ZINC001249259139 1315040395 /nfs/dbraw/zinc/04/03/95/1315040395.db2.gz SNBOTMROYNAZMP-WFASDCNBSA-N 0 3 331.412 2.817 20 10 EFCDHN COC(=O)[C@H]1C[N@@H+](Cc2ccc3c(c2[O-])C=CC(C)(C)O3)C[C@@H]1C ZINC001249259139 1315040399 /nfs/dbraw/zinc/04/03/99/1315040399.db2.gz SNBOTMROYNAZMP-WFASDCNBSA-N 0 3 331.412 2.817 20 10 EFCDHN COc1cccc(-c2noc(C[C@@H]([NH3+])c3ccccc3[O-])n2)c1OC ZINC001249338805 1315056235 /nfs/dbraw/zinc/05/62/35/1315056235.db2.gz CYZJZFXEPRTNEN-CYBMUJFWSA-N 0 3 341.367 2.702 20 10 EFCDHN COc1c(F)ccc(-c2noc(C[C@@H]([NH3+])c3ccccc3[O-])n2)c1F ZINC001249338772 1315056303 /nfs/dbraw/zinc/05/63/03/1315056303.db2.gz BHTLFCYPFRPQAU-GFCCVEGCSA-N 0 3 347.321 2.972 20 10 EFCDHN [NH3+][C@H](Cc1nc(-c2ccccc2-n2ccnc2)no1)c1ccccc1[O-] ZINC001249339616 1315056516 /nfs/dbraw/zinc/05/65/16/1315056516.db2.gz NWKIOZTWUFPQCY-OAHLLOKOSA-N 0 3 347.378 2.870 20 10 EFCDHN CCOC(=O)CCCOc1ccc(C[N@@H+]2CC[C@H](C(C)=O)C2)c([O-])c1 ZINC001249743324 1315129407 /nfs/dbraw/zinc/12/94/07/1315129407.db2.gz KJMSMNKUGGGACG-HNNXBMFYSA-N 0 3 349.427 2.525 20 10 EFCDHN CCOC(=O)CCCOc1ccc(C[N@H+]2CC[C@H](C(C)=O)C2)c([O-])c1 ZINC001249743324 1315129409 /nfs/dbraw/zinc/12/94/09/1315129409.db2.gz KJMSMNKUGGGACG-HNNXBMFYSA-N 0 3 349.427 2.525 20 10 EFCDHN O=C1c2cccc([O-])c2C(=O)c2c(O[C@@H]3CCC[NH2+]CC3)cccc21 ZINC001217995111 1315130162 /nfs/dbraw/zinc/13/01/62/1315130162.db2.gz LEZJSQDAPAVKLG-GFCCVEGCSA-N 0 3 337.375 2.689 20 10 EFCDHN Cc1cc(OC2CC3(C[NH2+]C3)C2)c2c(c1)C(=O)c1cccc([O-])c1C2=O ZINC001218055551 1315140349 /nfs/dbraw/zinc/14/03/49/1315140349.db2.gz GQTVKRUBROGSMB-UHFFFAOYSA-N 0 3 349.386 2.607 20 10 EFCDHN O=C1c2cccc([O-])c2C(=O)c2c(OC3CC4(C3)CC[NH2+]C4)cccc21 ZINC001218062063 1315140839 /nfs/dbraw/zinc/14/08/39/1315140839.db2.gz JWIBYKFGDRIUGF-UHFFFAOYSA-N 0 3 349.386 2.689 20 10 EFCDHN C[C@@H]1C[C@H](Oc2cccc3c2C(=O)c2cccc([O-])c2C3=O)CC[NH2+]1 ZINC001218062388 1315141036 /nfs/dbraw/zinc/14/10/36/1315141036.db2.gz SWFMDSJCPFPJFQ-VXGBXAGGSA-N 0 3 337.375 2.687 20 10 EFCDHN O=C1c2cccc(O[C@H]3CC[C@@]34CC[NH2+]C4)c2C(=O)c2cccc([O-])c21 ZINC001218114906 1315150744 /nfs/dbraw/zinc/15/07/44/1315150744.db2.gz DNWWXCFARWPPPX-KKSFZXQISA-N 0 3 349.386 2.689 20 10 EFCDHN O=C1c2cccc(O[C@@H]3CCC4(C[NH2+]C4)C3)c2C(=O)c2cccc([O-])c21 ZINC001218238267 1315168854 /nfs/dbraw/zinc/16/88/54/1315168854.db2.gz PDTRCYGJWPUXFN-GFCCVEGCSA-N 0 3 349.386 2.689 20 10 EFCDHN Cc1cc(O[C@@H]2CCC23C[NH2+]C3)c2c(c1)C(=O)c1cccc([O-])c1C2=O ZINC001218242141 1315169592 /nfs/dbraw/zinc/16/95/92/1315169592.db2.gz NVOKLGHBEIRONK-MRXNPFEDSA-N 0 3 349.386 2.607 20 10 EFCDHN Cc1cc(O[C@H]2CCC[NH2+]C2)c2c(c1)C(=O)c1cccc([O-])c1C2=O ZINC001218283089 1315174493 /nfs/dbraw/zinc/17/44/93/1315174493.db2.gz DYULDXIESKJAIT-LBPRGKRZSA-N 0 3 337.375 2.607 20 10 EFCDHN Cc1cc(C[NH+]2CCC(C)(C(N)=O)CC2)c([O-])cc1Br ZINC001250129077 1315176816 /nfs/dbraw/zinc/17/68/16/1315176816.db2.gz WKXKVNCDDMJUOQ-UHFFFAOYSA-N 0 3 341.249 2.551 20 10 EFCDHN Cc1cc(CN2CCN(C)C(C)(C)C2)c(O)cc1Br ZINC001250133180 1315177174 /nfs/dbraw/zinc/17/71/74/1315177174.db2.gz JNTHOTOTUVCUBH-UHFFFAOYSA-N 0 3 327.266 2.989 20 10 EFCDHN C[C@@H]1CC[C@@H](Oc2cccc3c2C(=O)c2c([O-])cccc2C3=O)C[NH2+]1 ZINC001218392729 1315188474 /nfs/dbraw/zinc/18/84/74/1315188474.db2.gz LEZVFOPTUCNWSK-VXGBXAGGSA-N 0 3 337.375 2.687 20 10 EFCDHN O=C1c2cccc([O-])c2C(=O)c2c(O[C@@H]3C[NH2+]CCC34CC4)cccc21 ZINC001218400484 1315189961 /nfs/dbraw/zinc/18/99/61/1315189961.db2.gz WQUXUZQHPHGCCM-MRXNPFEDSA-N 0 3 349.386 2.689 20 10 EFCDHN C[C@@H]1CC[NH2+]C[C@@H]1Oc1cccc2c1C(=O)c1cccc([O-])c1C2=O ZINC001218482373 1315203378 /nfs/dbraw/zinc/20/33/78/1315203378.db2.gz HVBVLUUFJBBIBR-BZNIZROVSA-N 0 3 337.375 2.544 20 10 EFCDHN N=c1ccc(/N=N/c2ccccc2)c(N)n1C(=O)[C@@H](N)CC(F)F ZINC001218581908 1315218046 /nfs/dbraw/zinc/21/80/46/1315218046.db2.gz QARTUCQFTIHFNS-OHJIGOCISA-N 0 3 334.330 2.588 20 10 EFCDHN [O-]c1cccc2c1C[N@H+](C[C@H](O)COc1ccc(Cl)cc1)CC2 ZINC001250672242 1315240074 /nfs/dbraw/zinc/24/00/74/1315240074.db2.gz UMXTTZMEVSIJOE-HNNXBMFYSA-N 0 3 333.815 2.844 20 10 EFCDHN [O-]c1cccc2c1C[N@@H+](C[C@H](O)COc1ccc(Cl)cc1)CC2 ZINC001250672242 1315240077 /nfs/dbraw/zinc/24/00/77/1315240077.db2.gz UMXTTZMEVSIJOE-HNNXBMFYSA-N 0 3 333.815 2.844 20 10 EFCDHN CN(C)c1ccc(/C=C/C(=O)Nc2ccc3c(c2)CNCCO3)cc1 ZINC001219027838 1315274410 /nfs/dbraw/zinc/27/44/10/1315274410.db2.gz DZFJBNBYOONNQF-BJMVGYQFSA-N 0 3 337.423 2.887 20 10 EFCDHN CCc1ccc(C[N@@H+]2CC[C@H]3CN(C(=O)NC(C)C)C[C@H]32)c([O-])c1 ZINC001276805000 1315316487 /nfs/dbraw/zinc/31/64/87/1315316487.db2.gz OXFWNNZVFFGSPS-DOTOQJQBSA-N 0 3 331.460 2.579 20 10 EFCDHN CCc1ccc(C[N@H+]2CC[C@H]3CN(C(=O)NC(C)C)C[C@H]32)c([O-])c1 ZINC001276805000 1315316492 /nfs/dbraw/zinc/31/64/92/1315316492.db2.gz OXFWNNZVFFGSPS-DOTOQJQBSA-N 0 3 331.460 2.579 20 10 EFCDHN Oc1ccc(CNC[C@@H](O)COc2cccc3ccccc32)cc1O ZINC001252397870 1315446557 /nfs/dbraw/zinc/44/65/57/1315446557.db2.gz CMAOJIVJECRXHJ-MRXNPFEDSA-N 0 3 339.391 2.781 20 10 EFCDHN [O-]c1cc2ccccc2cc1C[NH2+]C[C@H](O)COCc1ccco1 ZINC001252660484 1315483542 /nfs/dbraw/zinc/48/35/42/1315483542.db2.gz VFPNXBUHZIWVNX-KRWDZBQOSA-N 0 3 327.380 2.806 20 10 EFCDHN CC(C)(C)c1ccc(OC[C@H](O)CNCc2ccc(O)c(O)c2)cc1 ZINC001252764778 1315503060 /nfs/dbraw/zinc/50/30/60/1315503060.db2.gz FMQIVPWWNKONPT-MRXNPFEDSA-N 0 3 345.439 2.925 20 10 EFCDHN CCOCc1cc(CNCc2c(C)c(C)n[nH]c2=O)ccc1OC ZINC001318433418 1328588917 /nfs/dbraw/zinc/58/89/17/1328588917.db2.gz NEXRFTQRNORCNC-UHFFFAOYSA-N 0 3 331.416 2.634 20 10 EFCDHN CC[N@H+](Cc1ccccc1[O-])C[C@](C)(O)C(=O)OCc1ccccc1 ZINC001253637302 1315620752 /nfs/dbraw/zinc/62/07/52/1315620752.db2.gz ZTQOWWCWIAZWCJ-FQEVSTJZSA-N 0 3 343.423 2.709 20 10 EFCDHN CC[N@@H+](Cc1ccccc1[O-])C[C@](C)(O)C(=O)OCc1ccccc1 ZINC001253637302 1315620756 /nfs/dbraw/zinc/62/07/56/1315620756.db2.gz ZTQOWWCWIAZWCJ-FQEVSTJZSA-N 0 3 343.423 2.709 20 10 EFCDHN C[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C(=O)C1)c1ccccc1[O-] ZINC001254234846 1315685976 /nfs/dbraw/zinc/68/59/76/1315685976.db2.gz MKVYBABETQLMNI-QWHCGFSZSA-N 0 3 334.416 2.969 20 10 EFCDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CCCc3cc(O)c(O)cc3C1)C2 ZINC001254605514 1315730177 /nfs/dbraw/zinc/73/01/77/1315730177.db2.gz AXKGNPZQRWRULK-QGZVFWFLSA-N 0 3 340.379 2.922 20 10 EFCDHN CN(Cc1ccncc1)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001254746614 1315743234 /nfs/dbraw/zinc/74/32/34/1315743234.db2.gz VEQNAIOWVPMWMF-UHFFFAOYSA-N 0 3 328.435 2.605 20 10 EFCDHN CC[C@@H]([NH2+]CCN1C(=O)COc2ccccc21)c1ccccc1[O-] ZINC001255156269 1315784076 /nfs/dbraw/zinc/78/40/76/1315784076.db2.gz JERCNHKMXLSUSB-OAHLLOKOSA-N 0 3 326.396 2.859 20 10 EFCDHN COc1cc(C[C@H](C)[NH2+]Cc2ccc(O)cc2[O-])cc(OC)c1OC ZINC001258856350 1316185535 /nfs/dbraw/zinc/18/55/35/1316185535.db2.gz HJLPFMXASWHHFX-LBPRGKRZSA-N 0 3 347.411 2.844 20 10 EFCDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NCc2ccc(N)cc2)C1 ZINC001262597239 1316474604 /nfs/dbraw/zinc/47/46/04/1316474604.db2.gz JFXFWEAUFWDKQW-DNVCBOLYSA-N 0 3 338.455 2.904 20 10 EFCDHN [O-]c1c(C[NH+]2CC3(C2)CCN(Cc2cn[nH]c2)C3)ccc2ccccc21 ZINC001279436906 1317263684 /nfs/dbraw/zinc/26/36/84/1317263684.db2.gz CWOJLGSVRLZIBV-UHFFFAOYSA-N 0 3 348.450 2.976 20 10 EFCDHN O=C(Nc1cccc2nccn21)[C@@]12C[C@@H]1C[N@@H+](Cc1ccccc1[O-])C2 ZINC001279968942 1317426336 /nfs/dbraw/zinc/42/63/36/1317426336.db2.gz RJNZNSQBHZHESI-FOIQADDNSA-N 0 3 348.406 2.501 20 10 EFCDHN O=C(Nc1cccc2nccn21)[C@@]12C[C@@H]1C[N@H+](Cc1ccccc1[O-])C2 ZINC001279968942 1317426340 /nfs/dbraw/zinc/42/63/40/1317426340.db2.gz RJNZNSQBHZHESI-FOIQADDNSA-N 0 3 348.406 2.501 20 10 EFCDHN CN(CCC(F)(F)F)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001319947340 1329041751 /nfs/dbraw/zinc/04/17/51/1329041751.db2.gz JNWITXSUNKCIAD-UHFFFAOYSA-N 0 3 333.373 2.962 20 10 EFCDHN C[C@H]([NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F)C(=O)NCC(F)(F)F ZINC001320130178 1329092467 /nfs/dbraw/zinc/09/24/67/1329092467.db2.gz JLPDVUPPZPHTFP-NRPADANISA-N 0 3 334.313 2.736 20 10 EFCDHN CC(C)CO[C@@H]1CCN(Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001320521956 1329151499 /nfs/dbraw/zinc/15/14/99/1329151499.db2.gz FPGQOOIXULWDLR-GOSISDBHSA-N 0 3 349.494 2.824 20 10 EFCDHN C[C@H](C[S@](C)=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000753765242 1324795296 /nfs/dbraw/zinc/79/52/96/1324795296.db2.gz XWKSVGVBHOWCFB-IFMYKAFSSA-N 0 3 344.908 2.594 20 10 EFCDHN CCOc1ccc(C[N@@H+]2CCC[C@H](Cc3nccn3C)C2)c([O-])c1 ZINC001323888603 1329583017 /nfs/dbraw/zinc/58/30/17/1329583017.db2.gz BVLOSXSMNRYSAR-OAHLLOKOSA-N 0 3 329.444 2.979 20 10 EFCDHN CCOc1ccc(C[N@H+]2CCC[C@H](Cc3nccn3C)C2)c([O-])c1 ZINC001323888603 1329583019 /nfs/dbraw/zinc/58/30/19/1329583019.db2.gz BVLOSXSMNRYSAR-OAHLLOKOSA-N 0 3 329.444 2.979 20 10 EFCDHN CS(=O)(=O)c1cccc(CNCc2ccc(N3CCCC3)cc2)c1 ZINC001324459190 1329629670 /nfs/dbraw/zinc/62/96/70/1329629670.db2.gz QMZJPMUTSCHELW-UHFFFAOYSA-N 0 3 344.480 2.980 20 10 EFCDHN O=C1CC[C@@H](C[N@H+](Cc2ccco2)Cc2ccccc2[O-])CCN1 ZINC001324722837 1329653829 /nfs/dbraw/zinc/65/38/29/1329653829.db2.gz ZEBMCFQRIBPWQJ-OAHLLOKOSA-N 0 3 328.412 2.904 20 10 EFCDHN O=C1CC[C@@H](C[N@@H+](Cc2ccco2)Cc2ccccc2[O-])CCN1 ZINC001324722837 1329653831 /nfs/dbraw/zinc/65/38/31/1329653831.db2.gz ZEBMCFQRIBPWQJ-OAHLLOKOSA-N 0 3 328.412 2.904 20 10 EFCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H](CO)CC2CCOCC2)c1[O-] ZINC001324758955 1329656493 /nfs/dbraw/zinc/65/64/93/1329656493.db2.gz NWHXXBNXPFIIBE-ZDUSSCGKSA-N 0 3 343.851 2.569 20 10 EFCDHN COc1ccc(N2CC[C@H](CNC(=O)[C@@H](N)C3CCCCC3)C2)cc1 ZINC001326315728 1329746563 /nfs/dbraw/zinc/74/65/63/1329746563.db2.gz BNDBGCOSJHGTFR-BEFAXECRSA-N 0 3 345.487 2.545 20 10 EFCDHN C[C@H](NC(=O)[C@@H](N)C1CCCCC1)c1ccc(N2CCOCC2)cc1 ZINC001332516834 1330979808 /nfs/dbraw/zinc/97/98/08/1330979808.db2.gz MNBPQGGLHITDGQ-KXBFYZLASA-N 0 3 345.487 2.608 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)CC2CC(F)(F)C2)N(C)C)cc1 ZINC001334843353 1331316288 /nfs/dbraw/zinc/31/62/88/1331316288.db2.gz UAUDXGWREAGLQR-INIZCTEOSA-N 0 3 339.430 2.907 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)C2(C(C)(F)F)CC2)N(C)C)cc1 ZINC001336624889 1331487718 /nfs/dbraw/zinc/48/77/18/1331487718.db2.gz RXCCWEWWUIAZFC-HNNXBMFYSA-N 0 3 339.430 2.907 20 10 EFCDHN C[C@H]1C[C@@H](NC(=O)NCc2ccc(N)cc2)CN1Cc1ccccc1 ZINC001337016630 1331527658 /nfs/dbraw/zinc/52/76/58/1331527658.db2.gz RVGVSPGZZVOEJO-HNAYVOBHSA-N 0 3 338.455 2.731 20 10 EFCDHN C[C@@H]1C[C@@H](NC(=O)NCc2ccc(N)cc2)CN1Cc1ccccc1 ZINC001337016429 1331527971 /nfs/dbraw/zinc/52/79/71/1331527971.db2.gz RVGVSPGZZVOEJO-DNVCBOLYSA-N 0 3 338.455 2.731 20 10 EFCDHN COc1ccc(N2CCCN(C(=O)[C@H](N)C3CCCCC3)CC2)cc1 ZINC001346103304 1332599699 /nfs/dbraw/zinc/59/96/99/1332599699.db2.gz IOFLKXRPFRTOMZ-LJQANCHMSA-N 0 3 345.487 2.642 20 10 EFCDHN COc1cc(CN2CCC(Oc3ncc(C)cn3)CC2)c(O)cc1C ZINC000848494931 1334751024 /nfs/dbraw/zinc/75/10/24/1334751024.db2.gz WGMQPKWOYPOSQG-UHFFFAOYSA-N 0 3 343.427 2.851 20 10 EFCDHN CCOc1ccc(C[NH2+][C@@H]2CCc3ccccc3NC2=O)c([O-])c1 ZINC000848561230 1334795634 /nfs/dbraw/zinc/79/56/34/1334795634.db2.gz RTNCMJAILMTTLI-QGZVFWFLSA-N 0 3 326.396 2.834 20 10 EFCDHN CN1CCN(c2ccc(CNCc3noc4ccccc43)cc2)CC1 ZINC000848579434 1334805386 /nfs/dbraw/zinc/80/53/86/1334805386.db2.gz CDDIZUXAJXNHFI-UHFFFAOYSA-N 0 3 336.439 2.869 20 10 EFCDHN CCOc1ccc(C[NH+]2CCC([C@H]3NC(=O)C3(C)C)CC2)c([O-])c1 ZINC000848918768 1334985308 /nfs/dbraw/zinc/98/53/08/1334985308.db2.gz LKWTWUFKQVXINH-QGZVFWFLSA-N 0 3 332.444 2.528 20 10 EFCDHN C[C@@H](O)CN(Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C1CC1 ZINC000848929144 1334994308 /nfs/dbraw/zinc/99/43/08/1334994308.db2.gz TYFDBVBXPCNRAO-CQSZACIVSA-N 0 3 333.432 2.930 20 10 EFCDHN CSCC[C@H]([NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F)C(=O)N(C)C ZINC000806663009 713470375 /nfs/dbraw/zinc/47/03/75/713470375.db2.gz RKJKBTUFTSITCG-DRZSPHRISA-N 0 3 340.464 2.879 20 10 EFCDHN COC(=O)[C@]1(C)CC[N@H+](Cc2c([O-])ccc3ccc(OC)cc32)C1 ZINC000177218433 717946983 /nfs/dbraw/zinc/94/69/83/717946983.db2.gz KCLCVAALLZZTTI-LJQANCHMSA-N 0 3 329.396 2.939 20 10 EFCDHN COC(=O)[C@]1(C)CC[N@@H+](Cc2c([O-])ccc3ccc(OC)cc32)C1 ZINC000177218433 717946987 /nfs/dbraw/zinc/94/69/87/717946987.db2.gz KCLCVAALLZZTTI-LJQANCHMSA-N 0 3 329.396 2.939 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CCCSC2)N(C)C)cc1 ZINC000891246272 714132202 /nfs/dbraw/zinc/13/22/02/714132202.db2.gz BQMFPIOMUHYGMC-WBVHZDCISA-N 0 3 335.517 2.615 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)[C@H]2CCCSC2)N(C)C)cc1 ZINC000891246271 714132256 /nfs/dbraw/zinc/13/22/56/714132256.db2.gz BQMFPIOMUHYGMC-RDJZCZTQSA-N 0 3 335.517 2.615 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=O)/C=C/c2ccc[nH]2)N(C)C)cc1 ZINC000891246774 714133090 /nfs/dbraw/zinc/13/30/90/714133090.db2.gz DGFFPMZLMVTWLC-ZPHJMFTNSA-N 0 3 326.444 2.513 20 10 EFCDHN C[C@@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)C(C)(F)F ZINC000891246296 714133154 /nfs/dbraw/zinc/13/31/54/714133154.db2.gz BXJYHBKTOFAERV-WFASDCNBSA-N 0 3 327.419 2.763 20 10 EFCDHN CSCC(C)(C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891246626 714133973 /nfs/dbraw/zinc/13/39/73/714133973.db2.gz CNSZVWCWNGISKO-MRXNPFEDSA-N 0 3 337.533 2.861 20 10 EFCDHN Cc1ccoc1CC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891248552 714136043 /nfs/dbraw/zinc/13/60/43/714136043.db2.gz YLMQBSPVFXDIPZ-QGZVFWFLSA-N 0 3 329.444 2.616 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)N(C)CC(F)(F)F)N(C)C)cc1 ZINC000891249304 714137956 /nfs/dbraw/zinc/13/79/56/714137956.db2.gz QMYBMCWWQIXKLZ-AWEZNQCLSA-N 0 3 346.397 2.559 20 10 EFCDHN CC[C@@H]1C[C@H](C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)CCO1 ZINC000891249888 714139189 /nfs/dbraw/zinc/13/91/89/714139189.db2.gz XNZUOKSYVAVFBG-BHIYHBOVSA-N 0 3 347.503 2.677 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=O)c2coc(C3CC3)n2)N(C)C)cc1 ZINC000891249717 714139429 /nfs/dbraw/zinc/13/94/29/714139429.db2.gz VWHNXFVWNBUTPE-QGZVFWFLSA-N 0 3 342.443 2.651 20 10 EFCDHN CC[C@H](C)[C@H](OC)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891248807 714139845 /nfs/dbraw/zinc/13/98/45/714139845.db2.gz OETSXAMWXHYNEO-QGTPRVQTSA-N 0 3 335.492 2.533 20 10 EFCDHN C[C@@H]1CC[C@H](CCC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)O1 ZINC000891251987 714142720 /nfs/dbraw/zinc/14/27/20/714142720.db2.gz JFABHMIGMTXOAU-ATZDWAIDSA-N 0 3 347.503 2.819 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)[C@H]2Cc3ccccc32)N(C)C)cc1 ZINC000891253173 714146601 /nfs/dbraw/zinc/14/66/01/714146601.db2.gz RFTCOCQAMPHGJX-PMACEKPBSA-N 0 3 337.467 2.811 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)CC[C@H]2CCCCO2)N(C)C)cc1 ZINC000891252316 714146821 /nfs/dbraw/zinc/14/68/21/714146821.db2.gz JKPZDOXJWVCOLI-MOPGFXCFSA-N 0 3 347.503 2.821 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)N(C)C)cc1 ZINC000891252377 714147064 /nfs/dbraw/zinc/14/70/64/714147064.db2.gz KGDMDKFPUUEPDX-HCXYKTFWSA-N 0 3 329.488 2.908 20 10 EFCDHN CCCCO[C@@H](C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891254720 714148350 /nfs/dbraw/zinc/14/83/50/714148350.db2.gz IQIJAQPXHUXNRY-YJBOKZPZSA-N 0 3 335.492 2.677 20 10 EFCDHN CNc1ccccc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891254772 714150073 /nfs/dbraw/zinc/15/00/73/714150073.db2.gz JDYWDVOCZXPMPT-LJQANCHMSA-N 0 3 340.471 2.827 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=O)/C=C\c2cccnc2)N(C)C)cc1 ZINC000891255923 714150261 /nfs/dbraw/zinc/15/02/61/714150261.db2.gz SRCJLATVESBJFE-XCJXAGMVSA-N 0 3 338.455 2.580 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)/C=C\c2cccnc2)N(C)C)cc1 ZINC000891255920 714150289 /nfs/dbraw/zinc/15/02/89/714150289.db2.gz SRCJLATVESBJFE-DIBVOSKASA-N 0 3 338.455 2.580 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=O)/C=C\c2ccco2)N(C)C)cc1 ZINC000891258117 714152438 /nfs/dbraw/zinc/15/24/38/714152438.db2.gz NREUJMIXAISXTF-YUIUBULTSA-N 0 3 327.428 2.778 20 10 EFCDHN COc1cc(CN(C)Cc2ccc(OC)c(OC)c2O)ccc1O ZINC000891568158 714828761 /nfs/dbraw/zinc/82/87/61/714828761.db2.gz NRDHUEBYWWPAER-UHFFFAOYSA-N 0 3 333.384 2.756 20 10 EFCDHN CCn1cc(CN2CCCN(c3ccc(OC)cc3)CC2)c(C)n1 ZINC000891775171 715009922 /nfs/dbraw/zinc/00/99/22/715009922.db2.gz JDEMJPPNCMBCJQ-UHFFFAOYSA-N 0 3 328.460 2.932 20 10 EFCDHN COc1ccc(CN[C@H](C[S@@](C)=O)c2ccccc2)c(O)c1OC ZINC000893435710 715394077 /nfs/dbraw/zinc/39/40/77/715394077.db2.gz UUPWMZOZFOGCOE-OYLFLEFRSA-N 0 3 349.452 2.619 20 10 EFCDHN COc1ccc(CN[C@H](C[S@](C)=O)c2ccccc2)c(O)c1OC ZINC000893435708 715394339 /nfs/dbraw/zinc/39/43/39/715394339.db2.gz UUPWMZOZFOGCOE-MYYSRTQBSA-N 0 3 349.452 2.619 20 10 EFCDHN CC(C)N1CCC[C@H](N(Cc2ccccc2O)C[C@@H]2CCCO2)C1=O ZINC000179306358 717382118 /nfs/dbraw/zinc/38/21/18/717382118.db2.gz YOGBXMGGHZIIMD-ROUUACIJSA-N 0 3 346.471 2.773 20 10 EFCDHN CC(C)OCCCNC(=O)C1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000179557258 717786655 /nfs/dbraw/zinc/78/66/55/717786655.db2.gz KBMQCDMBMUNQFB-UHFFFAOYSA-N 0 3 334.460 2.536 20 10 EFCDHN CN(C)c1ccc([C@H](CNC(=O)c2ccccc2F)N(C)C)cc1 ZINC000005097717 718057404 /nfs/dbraw/zinc/05/74/04/718057404.db2.gz MTDFPGNLVGCXNL-SFHVURJKSA-N 0 3 329.419 2.924 20 10 EFCDHN Cc1ccc([C@H](CNC(=O)c2ccc(C)c(O)c2O)N(C)C)cc1 ZINC000177676857 718158407 /nfs/dbraw/zinc/15/84/07/718158407.db2.gz SYRWNJJBKBUZFT-INIZCTEOSA-N 0 3 328.412 2.747 20 10 EFCDHN NC(=O)N=Nc1ccc(C(=O)NC[C@@H]2CCCCN2CCCF)cc1 ZINC001024818934 718179896 /nfs/dbraw/zinc/17/98/96/718179896.db2.gz IHESTZGOBGRPPN-HNNXBMFYSA-N 0 3 349.410 2.793 20 10 EFCDHN COc1ccc(CNCc2ccc(OC)c(OC)c2O)c(OC)c1 ZINC000892630175 718357627 /nfs/dbraw/zinc/35/76/27/718357627.db2.gz XXLAMHYHBDLOJR-UHFFFAOYSA-N 0 3 333.384 2.716 20 10 EFCDHN C[C@@H]1C[C@H]([NH2+]CC2(CS(C)(=O)=O)CCC2)c2c1c(F)ccc2[O-] ZINC000840890617 718919324 /nfs/dbraw/zinc/91/93/24/718919324.db2.gz PREGQBULZVALEF-YPMHNXCESA-N 0 3 341.448 2.884 20 10 EFCDHN COc1ccc(CNCc2c(C)cc(C)nc2OC)c(O)c1OC ZINC000892861763 719241942 /nfs/dbraw/zinc/24/19/42/719241942.db2.gz DFOLLEGERRUFCR-UHFFFAOYSA-N 0 3 332.400 2.720 20 10 EFCDHN Cc1cccc(CN(C)[C@H](C)c2cccc(S(N)(=O)=O)c2)c1O ZINC000179882398 719868126 /nfs/dbraw/zinc/86/81/26/719868126.db2.gz GNMYORABUODAGP-CYBMUJFWSA-N 0 3 334.441 2.541 20 10 EFCDHN COc1cc(Br)cc(CN2CCC[C@H](CO)[C@H]2C)c1O ZINC000840980405 720037972 /nfs/dbraw/zinc/03/79/72/720037972.db2.gz ZCYFWXFEBKOTQV-GHMZBOCLSA-N 0 3 344.249 2.756 20 10 EFCDHN COc1ccc(O)c([C@H](C)NCC(=O)N2CCc3ccccc3C2)c1 ZINC000182405643 720125489 /nfs/dbraw/zinc/12/54/89/720125489.db2.gz UUOMYXNKCRQCSQ-AWEZNQCLSA-N 0 3 340.423 2.636 20 10 EFCDHN Oc1cc2c(cc1CN1CC[C@H](Oc3cccc(F)c3)C1)OCO2 ZINC000182778490 720182195 /nfs/dbraw/zinc/18/21/95/720182195.db2.gz ITBGJLLILIGJCQ-HNNXBMFYSA-N 0 3 331.343 2.913 20 10 EFCDHN CC[C@@H]1CN(Cc2cc(C)cc(OC)c2O)[C@@H](CC)CN1C(C)=O ZINC000894053315 720252277 /nfs/dbraw/zinc/25/22/77/720252277.db2.gz JBHLGVFVNBSIRC-DLBZAZTESA-N 0 3 334.460 2.931 20 10 EFCDHN COc1ccc(CNCc2ccc3c(n2)CCCC3)c(O)c1OC ZINC000894060650 720256970 /nfs/dbraw/zinc/25/69/70/720256970.db2.gz STLMBLIRZGGMRO-UHFFFAOYSA-N 0 3 328.412 2.973 20 10 EFCDHN CCC[N@H+](Cc1c([O-])ccc2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000014264433 720306818 /nfs/dbraw/zinc/30/68/18/720306818.db2.gz YMTAPEKGYKEBBU-HNNXBMFYSA-N 0 3 333.453 2.945 20 10 EFCDHN CCCN(Cc1c(O)ccc2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000014264433 720306810 /nfs/dbraw/zinc/30/68/10/720306810.db2.gz YMTAPEKGYKEBBU-HNNXBMFYSA-N 0 3 333.453 2.945 20 10 EFCDHN CCC[N@@H+](Cc1c([O-])ccc2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000014264433 720306827 /nfs/dbraw/zinc/30/68/27/720306827.db2.gz YMTAPEKGYKEBBU-HNNXBMFYSA-N 0 3 333.453 2.945 20 10 EFCDHN CN(C)c1ccc([C@@H](CNC(=O)NCCC(F)(F)F)N(C)C)cc1 ZINC000893338840 720785193 /nfs/dbraw/zinc/78/51/93/720785193.db2.gz SGOPBEZBNZGOBD-CQSZACIVSA-N 0 3 346.397 2.607 20 10 EFCDHN COc1cc(C)cc(CN[C@@H](C)C(=O)NCc2ccccc2)c1O ZINC000894201298 721195887 /nfs/dbraw/zinc/19/58/87/721195887.db2.gz XZVNCEPHYFMLQW-AWEZNQCLSA-N 0 3 328.412 2.504 20 10 EFCDHN COc1cc(C)cc(CN[C@@H]2CCN(c3ccccc3)C2=O)c1O ZINC000894226241 721311721 /nfs/dbraw/zinc/31/17/21/721311721.db2.gz OZELMSFIIIGWMT-MRXNPFEDSA-N 0 3 326.396 2.604 20 10 EFCDHN COc1cc(C)cc(CN[C@H]2CCN(c3ccccc3F)C2=O)c1O ZINC000894251413 721743963 /nfs/dbraw/zinc/74/39/63/721743963.db2.gz VHWPUILNVFJYDK-HNNXBMFYSA-N 0 3 344.386 2.743 20 10 EFCDHN CC[C@H](F)CN1CC[C@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001029013970 722639038 /nfs/dbraw/zinc/63/90/38/722639038.db2.gz MSUBJIFGWIKGFW-OCCSQVGLSA-N 0 3 349.410 2.649 20 10 EFCDHN COc1cc(C)cc(CN[C@H](C[S@@](C)=O)c2ccccc2)c1O ZINC000894424675 722732905 /nfs/dbraw/zinc/73/29/05/722732905.db2.gz LBQTVXTUOYSYEX-WAIKUNEKSA-N 0 3 333.453 2.919 20 10 EFCDHN COC(=O)C[C@@](C)(NCc1cc(C)cc(OC)c1O)c1ccncc1 ZINC000894491736 722757003 /nfs/dbraw/zinc/75/70/03/722757003.db2.gz REMCFVBIMFCOJO-LJQANCHMSA-N 0 3 344.411 2.672 20 10 EFCDHN COc1cc(C)cc(CN[C@@H](C)C(=O)NCCc2ccccc2)c1O ZINC000894916040 723027826 /nfs/dbraw/zinc/02/78/26/723027826.db2.gz YMQVNHOFOSBSRC-HNNXBMFYSA-N 0 3 342.439 2.546 20 10 EFCDHN Cc1ccoc1CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000895017313 723051121 /nfs/dbraw/zinc/05/11/21/723051121.db2.gz CODFEBNGJGRIIO-QGZVFWFLSA-N 0 3 344.459 2.756 20 10 EFCDHN COc1cc([C@H](C)NCc2ccc(N(C)C)cc2)ccc1OCCO ZINC000067449523 723331394 /nfs/dbraw/zinc/33/13/94/723331394.db2.gz XPEJUXCVQIRTDK-HNNXBMFYSA-N 0 3 344.455 2.983 20 10 EFCDHN COc1cc([C@@H](C)NCc2ccc(N(C)C)cc2)ccc1OCCO ZINC000067449525 723331470 /nfs/dbraw/zinc/33/14/70/723331470.db2.gz XPEJUXCVQIRTDK-OAHLLOKOSA-N 0 3 344.455 2.983 20 10 EFCDHN COc1cc(C)cc(CNCc2cccnc2N2CCCC2)c1O ZINC000895238159 723914418 /nfs/dbraw/zinc/91/44/18/723914418.db2.gz XBVHXNREYABGGO-UHFFFAOYSA-N 0 3 327.428 2.994 20 10 EFCDHN CC1(C)CNC(=O)[C@H]1[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000895324622 724033754 /nfs/dbraw/zinc/03/37/54/724033754.db2.gz QTJVVMRQNDDXCK-GOSISDBHSA-N 0 3 340.423 2.585 20 10 EFCDHN CCOCCOCC[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000897206019 724078350 /nfs/dbraw/zinc/07/83/50/724078350.db2.gz ZWKQJDHIYJDCRO-UHFFFAOYSA-N 0 3 332.238 2.606 20 10 EFCDHN COc1cccc(O)c1CN(C)C[C@H]1CCN1C(=O)OC(C)(C)C ZINC000897406032 725012746 /nfs/dbraw/zinc/01/27/46/725012746.db2.gz RZLKMMVURWRWOF-CYBMUJFWSA-N 0 3 336.432 2.842 20 10 EFCDHN CCCCNC(=O)NC(=O)C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000731846378 726942073 /nfs/dbraw/zinc/94/20/73/726942073.db2.gz XGGCVVXXLIEPJX-UHFFFAOYSA-N 0 3 347.459 2.763 20 10 EFCDHN CCCCNC(=O)NC(=O)C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000731846378 726942075 /nfs/dbraw/zinc/94/20/75/726942075.db2.gz XGGCVVXXLIEPJX-UHFFFAOYSA-N 0 3 347.459 2.763 20 10 EFCDHN CC[C@@H]([NH2+]Cc1ccc(OCC(N)=O)c(OC)c1)c1ccccc1[O-] ZINC000155404782 727141130 /nfs/dbraw/zinc/14/11/30/727141130.db2.gz AURFZGIODLXRQI-OAHLLOKOSA-N 0 3 344.411 2.506 20 10 EFCDHN Cc1cc(O)c(CN(C)[C@@H]2CCN(CC(F)(F)F)C2=O)cc1C ZINC000732797033 727232027 /nfs/dbraw/zinc/23/20/27/727232027.db2.gz FNJOBEVBNXCWFK-CYBMUJFWSA-N 0 3 330.350 2.604 20 10 EFCDHN C[C@@H](NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1cccnc1 ZINC000732917481 727307911 /nfs/dbraw/zinc/30/79/11/727307911.db2.gz VCLODLUIAYSGST-CRAIPNDOSA-N 0 3 338.455 2.634 20 10 EFCDHN CC(=O)c1ccc(C(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)cc1C ZINC000911666016 727576625 /nfs/dbraw/zinc/57/66/25/727576625.db2.gz GOTWPTLOHALVKC-LJQANCHMSA-N 0 3 339.439 2.693 20 10 EFCDHN CC1CCN(c2ccc(CN[C@H]3CCCS(=O)(=O)C3)cc2)CC1 ZINC000182909254 727865000 /nfs/dbraw/zinc/86/50/00/727865000.db2.gz JVRZKEHZPJTTLK-KRWDZBQOSA-N 0 3 336.501 2.590 20 10 EFCDHN COc1ccc(O)c([C@H](C)NCC(=O)N2CCc3ccccc32)c1 ZINC000182314693 728077860 /nfs/dbraw/zinc/07/78/60/728077860.db2.gz GHFOVTWEDRNRIC-ZDUSSCGKSA-N 0 3 326.396 2.641 20 10 EFCDHN CC(C)CN(CCN(C)C)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000057647495 728100103 /nfs/dbraw/zinc/10/01/03/728100103.db2.gz WUZHVOAIDQMEMA-UHFFFAOYSA-N 0 3 338.471 2.621 20 10 EFCDHN COc1ccc(O)c([C@H](C)NCC(=O)Nc2ccc(F)cc2F)c1 ZINC000182349593 728111056 /nfs/dbraw/zinc/11/10/56/728111056.db2.gz NCUUSXILODPHJA-JTQLQIEISA-N 0 3 336.338 2.968 20 10 EFCDHN COc1ccc(O)c([C@H](C)NCC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000182350141 728111154 /nfs/dbraw/zinc/11/11/54/728111154.db2.gz PPMXWAYIDWODNZ-NSHDSACASA-N 0 3 345.355 2.598 20 10 EFCDHN Cc1cccc(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1O ZINC000183486264 728123072 /nfs/dbraw/zinc/12/30/72/728123072.db2.gz IXYHRLTYHLFMOD-UHFFFAOYSA-N 0 3 327.384 2.931 20 10 EFCDHN COc1ccc(O)c([C@H](C)NCC(=O)Nc2oc(C)c(C)c2C#N)c1 ZINC000182387533 728131220 /nfs/dbraw/zinc/13/12/20/728131220.db2.gz BBRANPLLSACTRR-NSHDSACASA-N 0 3 343.383 2.772 20 10 EFCDHN COc1ccc(O)c([C@@H](C)NCC(=O)N(C)Cc2ccccc2F)c1 ZINC000182426636 728148253 /nfs/dbraw/zinc/14/82/53/728148253.db2.gz UPQJMVWOAWHLFD-CYBMUJFWSA-N 0 3 346.402 2.849 20 10 EFCDHN COc1ccc(O)c([C@H](C)NCC(=O)N([C@H](C)C2CC2)C2CC2)c1 ZINC000182414060 728152178 /nfs/dbraw/zinc/15/21/78/728152178.db2.gz DFMXFRVZAMXEBC-QWHCGFSZSA-N 0 3 332.444 2.841 20 10 EFCDHN C[C@H]([NH2+][C@H]1CC(=O)N(CCOc2ccccc2)C1)c1ccccc1[O-] ZINC000183612371 728203639 /nfs/dbraw/zinc/20/36/39/728203639.db2.gz LKDUTTSXBARAJD-HOTGVXAUSA-N 0 3 340.423 2.723 20 10 EFCDHN C[N@H+](CCN1CCN(c2ccccc2)CC1)Cc1ccccc1[O-] ZINC000179578177 729593689 /nfs/dbraw/zinc/59/36/89/729593689.db2.gz GLOFBGURZFMGQA-UHFFFAOYSA-N 0 3 325.456 2.646 20 10 EFCDHN C[N@@H+](CCN1CCN(c2ccccc2)CC1)Cc1ccccc1[O-] ZINC000179578177 729593690 /nfs/dbraw/zinc/59/36/90/729593690.db2.gz GLOFBGURZFMGQA-UHFFFAOYSA-N 0 3 325.456 2.646 20 10 EFCDHN CC1CCC(N2CCN(C(=O)/C=C/c3ccc(O)c(O)c3)CC2)CC1 ZINC000181090463 729779777 /nfs/dbraw/zinc/77/97/77/729779777.db2.gz WQQUYVXBRVVDNV-WEVVVXLNSA-N 0 3 344.455 2.834 20 10 EFCDHN