smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN(Cc1ccccc1)c1ccc(C[NH2+]C2CC[NH+](CC(=O)[O-])CC2)cc1 ZINC000874048463 956112672 /nfs/dbraw/zinc/11/26/72/956112672.db2.gz SLBUPKCMMFMTFQ-UHFFFAOYSA-N 1 0 381.520 3.352 20 10 GGCDRO C[NH+]1CCN(c2ccc(C[N@@H+]3[C@H](C(=O)[O-])CC[C@H]3c3ccccc3)cc2)CC1 ZINC000902045586 980712250 /nfs/dbraw/zinc/71/22/50/980712250.db2.gz DMWUNHHCPOQHMA-VXKWHMMOSA-N 1 0 379.504 3.229 20 10 GGCDRO C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1cc(C(=O)[O-])co1 ZINC001593298818 994716446 /nfs/dbraw/zinc/71/64/46/994716446.db2.gz NCEWIYRBYRTJRB-MRXNPFEDSA-N 1 0 383.492 3.361 20 10 GGCDRO C[C@@H]1[C@@H](CC(=O)[O-])CC[C@H]1[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC001594186119 998720732 /nfs/dbraw/zinc/72/07/32/998720732.db2.gz UIQHLKMHQQYLFD-NQSCKRDGSA-N 1 0 385.552 3.198 20 10 GGCDRO C[C@H]1[C@H]([NH2+]Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)CC[C@H]1CC(=O)[O-] ZINC001594186120 998720826 /nfs/dbraw/zinc/72/08/26/998720826.db2.gz UIQHLKMHQQYLFD-PIPMEXSNSA-N 1 0 385.552 3.198 20 10 GGCDRO COc1cc(O)c(C[NH2+][C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)cc1OC ZINC000776175779 1126109448 /nfs/dbraw/zinc/10/94/48/1126109448.db2.gz RBZMAHJVRNEZRT-KSSFIOAISA-N 1 0 385.382 3.034 20 10 GGCDRO COc1cc(O)c(C[NH2+][C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)cc1OC ZINC000776175778 1126109507 /nfs/dbraw/zinc/10/95/07/1126109507.db2.gz RBZMAHJVRNEZRT-KDOFPFPSSA-N 1 0 385.382 3.034 20 10 GGCDRO O=[N+]([O-])c1cc(C[NH2+][C@@H](CO)Cc2ccc(F)cc2)ccc1N1CCCCC1 ZINC000766488275 1126109056 /nfs/dbraw/zinc/10/90/56/1126109056.db2.gz KJVLQPHHFZRPAI-LJQANCHMSA-N 1 0 387.455 3.417 20 10 GGCDRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2ccc(N3CCC(OC)CC3)cc2)cc1 ZINC000933430008 1126139287 /nfs/dbraw/zinc/13/92/87/1126139287.db2.gz FAKCSHTVXAUOPN-DEOSSOPVSA-N 1 0 398.547 3.394 20 10 GGCDRO COc1ccc(N2CC[NH+](CCCNc3ncnc4sccc43)CC2)cc1 ZINC000007366826 204240223 /nfs/dbraw/zinc/24/02/23/204240223.db2.gz FWAKSUNFFPRUPB-UHFFFAOYSA-N 1 0 383.521 3.324 20 10 GGCDRO COc1ccc(N2CCC[N@H+](C[C@@H](O)COc3cc(C)cc(C)c3)CC2)cc1 ZINC000084085947 205393259 /nfs/dbraw/zinc/39/32/59/205393259.db2.gz NOZKQOIPJFVTCX-OAQYLSRUSA-N 1 0 384.520 3.264 20 10 GGCDRO COc1cc(Br)cc(C[NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)c1O ZINC000151376038 564917095 /nfs/dbraw/zinc/91/70/95/564917095.db2.gz WQSUJYWJMNGJLB-CJNGLKHVSA-N 1 0 388.327 3.308 20 10 GGCDRO CS(=O)(=O)C[C@H]([NH2+]Cc1cc(Br)ccc1O)c1ccccc1 ZINC000154998844 565059043 /nfs/dbraw/zinc/05/90/43/565059043.db2.gz TVZYFIVYGMNGQM-HNNXBMFYSA-N 1 0 384.295 3.030 20 10 GGCDRO CC[C@H]([NH2+]C1CCN(C(=O)CCOC)CC1)c1cc(Br)ccc1O ZINC000156764657 565105400 /nfs/dbraw/zinc/10/54/00/565105400.db2.gz ZUWHWGUSSRJHEM-INIZCTEOSA-N 1 0 399.329 3.223 20 10 GGCDRO Cc1nc(CC(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)cs1 ZINC000158064592 565154435 /nfs/dbraw/zinc/15/44/35/565154435.db2.gz UZOIXLPRRLIRPP-OAHLLOKOSA-N 1 0 379.913 3.134 20 10 GGCDRO C[C@@H]([NH2+]Cc1cccnc1N1CCOCC1)c1ccc(Br)cc1O ZINC000184986553 565169107 /nfs/dbraw/zinc/16/91/07/565169107.db2.gz YJEFKWZHMDLXJI-CYBMUJFWSA-N 1 0 392.297 3.237 20 10 GGCDRO C[C@H]([NH2+]Cc1cccnc1N1CCOCC1)c1cc(Br)ccc1O ZINC000184986038 565169415 /nfs/dbraw/zinc/16/94/15/565169415.db2.gz VYJLEJUTIOIGPU-ZDUSSCGKSA-N 1 0 392.297 3.237 20 10 GGCDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@H](N3CCCCC3=O)C2)c1O ZINC000372413365 565236700 /nfs/dbraw/zinc/23/67/00/565236700.db2.gz KQKUTCIVQKIOBC-HNNXBMFYSA-N 1 0 397.313 3.140 20 10 GGCDRO Cc1cc(Br)cc(C[NH2+][C@@H](c2nccn2C)C(C)(C)CO)c1O ZINC000295015583 565240871 /nfs/dbraw/zinc/24/08/71/565240871.db2.gz JZYDCYSOFSZNOE-HNNXBMFYSA-N 1 0 382.302 3.046 20 10 GGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CCCc3c2cnn3CCO)c1O ZINC000372505476 565242124 /nfs/dbraw/zinc/24/21/24/565242124.db2.gz RCMLGMLVCSSEMD-MLGOLLRUSA-N 1 0 394.313 3.380 20 10 GGCDRO OC1CCN(c2ccc(C[NH2+]Cc3cncc(Br)c3)cc2F)CC1 ZINC000186603751 565270669 /nfs/dbraw/zinc/27/06/69/565270669.db2.gz GOTLWDRWHDGCNG-UHFFFAOYSA-N 1 0 394.288 3.234 20 10 GGCDRO Fc1cc(C[NH2+]Cc2cncc(Br)c2)ccc1N1CCOCC1 ZINC000186595018 565271238 /nfs/dbraw/zinc/27/12/38/565271238.db2.gz KCFAWCITUWFHIT-UHFFFAOYSA-N 1 0 380.261 3.110 20 10 GGCDRO CN(Cc1cccs1)c1ccc(CN2CC[C@H](CS(C)(=O)=O)C2)cc1 ZINC000295932034 565294153 /nfs/dbraw/zinc/29/41/53/565294153.db2.gz FSFSHYKXPXXHRE-KRWDZBQOSA-N 1 0 378.563 3.251 20 10 GGCDRO COCCOc1ncccc1C[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000273305037 565316809 /nfs/dbraw/zinc/31/68/09/565316809.db2.gz CNYFSMYHIKLCQM-LBPRGKRZSA-N 1 0 381.270 3.426 20 10 GGCDRO C[C@@H]([NH2+]Cc1ccc(NS(C)(=O)=O)cc1)c1cc(Br)ccc1O ZINC000273374849 565319158 /nfs/dbraw/zinc/31/91/58/565319158.db2.gz HAGXBNBWQBYHTM-LLVKDONJSA-N 1 0 399.310 3.377 20 10 GGCDRO COCCOC1(C[NH2+][C@H](C)c2ccc(Br)cc2O)CCOCC1 ZINC000296504503 565320430 /nfs/dbraw/zinc/32/04/30/565320430.db2.gz PFSLWRFTWZJYNG-CYBMUJFWSA-N 1 0 388.302 3.018 20 10 GGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)nc1)c1ccc(Br)cc1O ZINC000273437459 565321515 /nfs/dbraw/zinc/32/15/15/565321515.db2.gz XJXMKLJZUUTDPS-CYBMUJFWSA-N 1 0 392.297 3.237 20 10 GGCDRO C[C@H]([NH2+][C@H](CO)C[C@@H](O)c1ccccc1)c1ccc(Br)cc1O ZINC000273533178 565324773 /nfs/dbraw/zinc/32/47/73/565324773.db2.gz WTMBBOQCFNEGIA-YLQAJVPDSA-N 1 0 380.282 3.290 20 10 GGCDRO C[C@H]([NH2+][C@@H](CO)C[C@H](O)c1ccccc1)c1ccc(Br)cc1O ZINC000273533167 565324866 /nfs/dbraw/zinc/32/48/66/565324866.db2.gz WTMBBOQCFNEGIA-MJEQTWJJSA-N 1 0 380.282 3.290 20 10 GGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H]2COC3(CCOCC3)O2)c1O ZINC000187487364 565335934 /nfs/dbraw/zinc/33/59/34/565335934.db2.gz JWNADKASOZIIFC-TZMCWYRMSA-N 1 0 386.286 3.036 20 10 GGCDRO C[C@H]([NH2+]C1CCC(CS(C)(=O)=O)CC1)c1ccc(Br)cc1O ZINC000297245706 565363832 /nfs/dbraw/zinc/36/38/32/565363832.db2.gz IWWUQIKNBZDXCP-DCBWTQNWSA-N 1 0 390.343 3.409 20 10 GGCDRO C[C@@H]([NH2+]C1CCC(CS(C)(=O)=O)CC1)c1ccc(Br)cc1O ZINC000297245709 565364213 /nfs/dbraw/zinc/36/42/13/565364213.db2.gz IWWUQIKNBZDXCP-LKSINWNRSA-N 1 0 390.343 3.409 20 10 GGCDRO Cc1cc(Br)cc(C[NH2+][C@H]2CCCO[C@@H]2c2cnn(C)c2)c1O ZINC000275366105 565405880 /nfs/dbraw/zinc/40/58/80/565405880.db2.gz BQEPVUYWCPSMOL-DOTOQJQBSA-N 1 0 380.286 3.207 20 10 GGCDRO COCCOCCOCCC[NH2+][C@@H](C)c1cc(Br)cc(C)c1O ZINC000275396099 565408209 /nfs/dbraw/zinc/40/82/09/565408209.db2.gz ZHTPQIVQSDIFPN-AWEZNQCLSA-N 1 0 390.318 3.183 20 10 GGCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccc(Br)cn1 ZINC000171971149 565460785 /nfs/dbraw/zinc/46/07/85/565460785.db2.gz RCOMGBHRYLNHDZ-UHFFFAOYSA-N 1 0 376.298 3.313 20 10 GGCDRO C[C@H](O)c1ncc(C[NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)s1 ZINC000377616141 565490407 /nfs/dbraw/zinc/49/04/07/565490407.db2.gz OOWKCRJGXCAANX-WFASDCNBSA-N 1 0 381.929 3.310 20 10 GGCDRO CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000377811832 565500060 /nfs/dbraw/zinc/50/00/60/565500060.db2.gz PUEAGSTWOHZVHL-JKSUJKDBSA-N 1 0 381.314 3.139 20 10 GGCDRO O=C(CCc1cscn1)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000378176618 565515169 /nfs/dbraw/zinc/51/51/69/565515169.db2.gz YZSCXBCFZUMZBB-OAHLLOKOSA-N 1 0 379.913 3.216 20 10 GGCDRO CC[C@H]([NH2+][C@H]1CCCc2c1cnn2CCO)c1cc(Br)ccc1O ZINC000324375941 565617795 /nfs/dbraw/zinc/61/77/95/565617795.db2.gz MBEBKNWESCUHAH-HOTGVXAUSA-N 1 0 394.313 3.462 20 10 GGCDRO COC(=O)C[C@](C)([NH2+]Cc1cc(Br)cc(C)c1O)c1ccncc1 ZINC000191904384 565641798 /nfs/dbraw/zinc/64/17/98/565641798.db2.gz IFIWVTQNWMRYQI-SFHVURJKSA-N 1 0 393.281 3.426 20 10 GGCDRO Cc1cc(Br)cc([C@H](C)[NH2+]CC2(S(C)(=O)=O)CCC2)c1O ZINC000280921900 565703168 /nfs/dbraw/zinc/70/31/68/565703168.db2.gz HKAJCVDLOMHMLT-NSHDSACASA-N 1 0 376.316 3.081 20 10 GGCDRO C[C@@H]([NH2+]CC1(S(C)(=O)=O)CCCC1)c1ccc(Br)cc1O ZINC000285553884 565913992 /nfs/dbraw/zinc/91/39/92/565913992.db2.gz FFKNBKXTAFNSMC-LLVKDONJSA-N 1 0 376.316 3.163 20 10 GGCDRO C[C@@H]([NH2+][C@@H]1CCCc2c1cnn2CCO)c1cc(Br)ccc1O ZINC000363862967 566024334 /nfs/dbraw/zinc/02/43/34/566024334.db2.gz ZUCSGWJBPBIWNO-IAQYHMDHSA-N 1 0 380.286 3.072 20 10 GGCDRO C[C@H]([NH2+][C@H]1CCCc2c1cnn2CCO)c1ccc(Br)cc1O ZINC000363854005 566024809 /nfs/dbraw/zinc/02/48/09/566024809.db2.gz LMLVRBGYWAMDED-NHYWBVRUSA-N 1 0 380.286 3.072 20 10 GGCDRO C[C@@H]([NH2+][C@H]1CCCc2c1cnn2CCO)c1cc(Br)ccc1O ZINC000363862966 566024889 /nfs/dbraw/zinc/02/48/89/566024889.db2.gz ZUCSGWJBPBIWNO-ABAIWWIYSA-N 1 0 380.286 3.072 20 10 GGCDRO COc1cc(O)c(C[N@H+](C)[C@@H](CO)c2cccc(Br)c2)cc1OC ZINC000180575144 566073427 /nfs/dbraw/zinc/07/34/27/566073427.db2.gz PSNZILVNYQWJNI-HNNXBMFYSA-N 1 0 396.281 3.337 20 10 GGCDRO COc1cc(O)c(C[N@H+](C)[C@H](CO)c2cccc(Br)c2)cc1OC ZINC000180575166 566073815 /nfs/dbraw/zinc/07/38/15/566073815.db2.gz PSNZILVNYQWJNI-OAHLLOKOSA-N 1 0 396.281 3.337 20 10 GGCDRO Cc1cccc(C[NH+]2CCC(O)(c3scnc3Br)CC2)c1O ZINC000366768363 566168749 /nfs/dbraw/zinc/16/87/49/566168749.db2.gz HJPMHKCQCWLWNR-UHFFFAOYSA-N 1 0 383.311 3.403 20 10 GGCDRO CN(C)c1ccc(/C=C2/SC(=S)N(C3CC[NH+](C)CC3)C2=O)cc1F ZINC000263952227 566202067 /nfs/dbraw/zinc/20/20/67/566202067.db2.gz ZHKHLXUGJPYTLP-LFIBNONCSA-N 1 0 379.526 3.187 20 10 GGCDRO Cc1cc(Br)cc(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1O ZINC000367752438 566214599 /nfs/dbraw/zinc/21/45/99/566214599.db2.gz GQLQAJZONUSSGY-YESZJQIVSA-N 1 0 383.330 3.147 20 10 GGCDRO Cc1cc(Br)cc(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1O ZINC000367752435 566214893 /nfs/dbraw/zinc/21/48/93/566214893.db2.gz GQLQAJZONUSSGY-BRWVUGGUSA-N 1 0 383.330 3.147 20 10 GGCDRO COc1ccc(N2CC[NH+](CCCNc3ncnc4ccsc43)CC2)cc1 ZINC000028620069 570461991 /nfs/dbraw/zinc/46/19/91/570461991.db2.gz FHKIHIWPEAAEPQ-UHFFFAOYSA-N 1 0 383.521 3.324 20 10 GGCDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3cccc(C)c3C)CC2)cc1 ZINC000032765938 570802922 /nfs/dbraw/zinc/80/29/22/570802922.db2.gz GVURMWXMGWIBML-UHFFFAOYSA-N 1 0 381.520 3.254 20 10 GGCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)[C@H]1CCCc3ccccc31)cc2=O ZINC000103509968 570886164 /nfs/dbraw/zinc/88/61/64/570886164.db2.gz GHFVEBKCFKTPTI-SFHVURJKSA-N 1 0 380.448 3.121 20 10 GGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1)c1ccc(N2CCOCC2)cc1 ZINC000820410394 599370276 /nfs/dbraw/zinc/37/02/76/599370276.db2.gz FBPPQDRMWYVTNX-JKSUJKDBSA-N 1 0 378.480 3.115 20 10 GGCDRO C[C@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1)c1ccc(N2CCOCC2)cc1Cl ZINC000820432003 606996241 /nfs/dbraw/zinc/99/62/41/606996241.db2.gz JXSYHWURBMNHHR-AWEZNQCLSA-N 1 0 398.898 3.208 20 10 GGCDRO COCC[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cc2c(cc1O)CCCC2 ZINC000826158927 608546582 /nfs/dbraw/zinc/54/65/82/608546582.db2.gz JAJMLYLBANTBAC-UHFFFAOYSA-N 1 0 393.491 3.100 20 10 GGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824618225 609133763 /nfs/dbraw/zinc/13/37/63/609133763.db2.gz NIYPOGPRGLHKMY-CQSZACIVSA-N 1 0 398.511 3.410 20 10 GGCDRO C[C@H]([NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1F)c1ccc(N2CCOCC2)cc1 ZINC000824530176 609328623 /nfs/dbraw/zinc/32/86/23/609328623.db2.gz JPUTYRNDZFUGGJ-GJZGRUSLSA-N 1 0 396.470 3.254 20 10 GGCDRO COc1ccc(C[NH2+]Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1C ZINC000053946010 1406563166 /nfs/dbraw/zinc/56/31/66/1406563166.db2.gz YPHBSHZISCWGLL-UHFFFAOYSA-N 1 0 388.533 3.468 20 10 GGCDRO COc1ccc(N2CC[NH+](CCCNC(=O)N3CCCCCCC3)CC2)cc1 ZINC000053999562 1406584137 /nfs/dbraw/zinc/58/41/37/1406584137.db2.gz XXBJVBCLOIMGPW-UHFFFAOYSA-N 1 0 388.556 3.183 20 10 GGCDRO O=S(=O)(c1ccc(C[NH2+]Cc2ccc3c(c2)CCO3)cc1)N1CCCCC1 ZINC000054153188 1406634026 /nfs/dbraw/zinc/63/40/26/1406634026.db2.gz YVRZYVZALDAXIK-UHFFFAOYSA-N 1 0 386.517 3.086 20 10 GGCDRO COc1ccc2ccc(O)c(C[NH+]3CCC(C(=O)Nc4nncs4)CC3)c2c1 ZINC000054388916 1406713667 /nfs/dbraw/zinc/71/36/67/1406713667.db2.gz MGKICOITRAYGII-UHFFFAOYSA-N 1 0 398.488 3.256 20 10 GGCDRO O=C(C1CC[NH+](Cc2c3c(ccc2O)oc2c3CCCC2)CC1)N1CCOCC1 ZINC000054452531 1406741877 /nfs/dbraw/zinc/74/18/77/1406741877.db2.gz KHKFZVQVEVKALQ-UHFFFAOYSA-N 1 0 398.503 3.088 20 10 GGCDRO CCCS(=O)(=O)NC1CC[NH+](Cc2cc(C)cc(C(C)(C)C)c2O)CC1 ZINC000054514208 1406759507 /nfs/dbraw/zinc/75/95/07/1406759507.db2.gz DZECYQJLNOCUCQ-UHFFFAOYSA-N 1 0 382.570 3.292 20 10 GGCDRO Cc1cc(O)c(C[NH+]2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)cc1C ZINC000054548428 1406766543 /nfs/dbraw/zinc/76/65/43/1406766543.db2.gz YPUANWGPIWSEFJ-UHFFFAOYSA-N 1 0 377.488 3.377 20 10 GGCDRO CC[N@H+](CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1ccc(N(C)C)cc1 ZINC000007362175 1398660677 /nfs/dbraw/zinc/66/06/77/1398660677.db2.gz VAHKXKYQGUODMI-UHFFFAOYSA-N 1 0 396.535 3.050 20 10 GGCDRO C[C@@H](C(=O)N1c2ccccc2C[C@@H]1C)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000015571727 1399172588 /nfs/dbraw/zinc/17/25/88/1399172588.db2.gz HPKOHLRKQBULET-OALUTQOASA-N 1 0 393.531 3.321 20 10 GGCDRO C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000015571725 1399173111 /nfs/dbraw/zinc/17/31/11/1399173111.db2.gz HPKOHLRKQBULET-RBUKOAKNSA-N 1 0 393.531 3.321 20 10 GGCDRO CN(C)c1ccc(C[NH2+]Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 ZINC000017317608 1399278672 /nfs/dbraw/zinc/27/86/72/1399278672.db2.gz RUUBDXAVHUUONA-UHFFFAOYSA-N 1 0 387.549 3.217 20 10 GGCDRO CCOc1cc(C[NH2+]Cc2ccc(N(C)C)cc2)ccc1O[C@@H](C)C(=O)N(C)C ZINC000017318063 1399278886 /nfs/dbraw/zinc/27/88/86/1399278886.db2.gz XPMITKHWHQEIKN-KRWDZBQOSA-N 1 0 399.535 3.297 20 10 GGCDRO CNC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1Cc1c(O)ccc2ccc(OC)cc21 ZINC000024606995 1399648247 /nfs/dbraw/zinc/64/82/47/1399648247.db2.gz LVUXNBZGLZPHDX-NRFANRHFSA-N 1 0 376.456 3.227 20 10 GGCDRO O=C(c1ccc2c(c1)OCO2)N1CC[NH+](Cc2c(O)ccc3ccccc32)CC1 ZINC000026612869 1399907288 /nfs/dbraw/zinc/90/72/88/1399907288.db2.gz PLTYWQDPNNGMJS-UHFFFAOYSA-N 1 0 390.439 3.232 20 10 GGCDRO CCOC(=O)c1ccc(N2CC[NH+](Cc3c(O)ccc4ccccc43)CC2)nc1 ZINC000026631610 1399912770 /nfs/dbraw/zinc/91/27/70/1399912770.db2.gz ZJCSDTAEFYTFJI-UHFFFAOYSA-N 1 0 391.471 3.439 20 10 GGCDRO COc1ccc(N2CC[NH+](C[C@@H](O)COc3cc(C)cc(C)c3C)CC2)cc1 ZINC000026780591 1399933195 /nfs/dbraw/zinc/93/31/95/1399933195.db2.gz RCHVTEUUTRVHOH-OAQYLSRUSA-N 1 0 384.520 3.182 20 10 GGCDRO COc1ccc(N2CC[NH+](CCCNC(=O)Nc3ccccc3F)CC2)cc1 ZINC000028798457 1400197753 /nfs/dbraw/zinc/19/77/53/1400197753.db2.gz VMVYCPGSCRCVOD-UHFFFAOYSA-N 1 0 386.471 3.168 20 10 GGCDRO COc1ccc(N2CCCN(C(=O)NCc3cccc(C[NH+](C)C)c3)CC2)cc1 ZINC000056396240 1407319144 /nfs/dbraw/zinc/31/91/44/1407319144.db2.gz RPEIOCTZRRHYRC-UHFFFAOYSA-N 1 0 396.535 3.179 20 10 GGCDRO CC(=O)Nc1ccc(C(=O)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)cc1 ZINC000056478995 1407343732 /nfs/dbraw/zinc/34/37/32/1407343732.db2.gz NZHIISXNUAXXOH-UHFFFAOYSA-N 1 0 392.503 3.429 20 10 GGCDRO COc1ccc(N2CC[NH+](CCCNC(=O)N[C@@H]3CCCC[C@H]3C)CC2)cc1 ZINC000043047799 1403696817 /nfs/dbraw/zinc/69/68/17/1403696817.db2.gz PVBNMGYYCXOKPC-WIYYLYMNSA-N 1 0 388.556 3.085 20 10 GGCDRO COc1ccc([C@H](CNC(=O)N(C)Cc2ccccc2O)[NH+]2CCCC2)cc1 ZINC000043110186 1403710413 /nfs/dbraw/zinc/71/04/13/1403710413.db2.gz BDYBAGIJNIIIKS-FQEVSTJZSA-N 1 0 383.492 3.379 20 10 GGCDRO C[C@@H](CNC(=O)N(C)Cc1ccc(N(C)C)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000045543910 1404143335 /nfs/dbraw/zinc/14/33/35/1404143335.db2.gz KTNKECBGYUFLKU-SFHVURJKSA-N 1 0 380.536 3.341 20 10 GGCDRO COc1ccc(N2CC[NH+](CCCNC(=O)N(C)Cc3ccccc3)CC2)cc1 ZINC000045578542 1404151314 /nfs/dbraw/zinc/15/13/14/1404151314.db2.gz BAKLVVPEBDJHNP-UHFFFAOYSA-N 1 0 396.535 3.049 20 10 GGCDRO COc1ccc(N2CC[NH+](CCCNC(=O)CCCc3ccccc3)CC2)cc1 ZINC000046786705 1404590680 /nfs/dbraw/zinc/59/06/80/1404590680.db2.gz HJAAUMLWIMJPKA-UHFFFAOYSA-N 1 0 395.547 3.346 20 10 GGCDRO CN(C)c1ccc(CN(C)C(=O)NCC2([NH+]3CCSCC3)CCCC2)cc1 ZINC000047009141 1404672664 /nfs/dbraw/zinc/67/26/64/1404672664.db2.gz SHPVXKTXEXPQRC-UHFFFAOYSA-N 1 0 390.597 3.256 20 10 GGCDRO C[NH+](C)Cc1cccc(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000047505653 1404854368 /nfs/dbraw/zinc/85/43/68/1404854368.db2.gz TWCPWTASADWYCM-UHFFFAOYSA-N 1 0 386.471 3.046 20 10 GGCDRO COc1cc2c(cc1C[NH2+]Cc1ccc(N3CCOCC3)c(F)c1)O[C@@H](C)C2 ZINC000048748729 1405280782 /nfs/dbraw/zinc/28/07/82/1405280782.db2.gz MGOVWXSGDUXPOT-HNNXBMFYSA-N 1 0 386.467 3.284 20 10 GGCDRO CC(C)[C@@H]([NH2+]CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccccc1 ZINC000052007067 1405897369 /nfs/dbraw/zinc/89/73/69/1405897369.db2.gz UTVFJHWKYIMLGN-HSZRJFAPSA-N 1 0 399.510 3.265 20 10 GGCDRO COc1ccc(N2CCC[N@H+](CC(=O)N(C)Cc3ccccc3F)CC2)cc1 ZINC000052465426 1406058875 /nfs/dbraw/zinc/05/88/75/1406058875.db2.gz GUKMTVKNPUFHEF-UHFFFAOYSA-N 1 0 385.483 3.005 20 10 GGCDRO COc1ccc(N2CCC[N@@H+]([C@H](C)C(=O)N3CCc4ccccc4C3)CC2)cc1 ZINC000052466342 1406059968 /nfs/dbraw/zinc/05/99/68/1406059968.db2.gz GTVRTUPXNQVXLO-LJQANCHMSA-N 1 0 393.531 3.181 20 10 GGCDRO C[C@H](CNC(=O)NCc1ccc(N2CCSCC2)cc1)C[NH+]1CCCCC1 ZINC000057039811 1407506708 /nfs/dbraw/zinc/50/67/08/1407506708.db2.gz PEJDMJYNHZGEAG-GOSISDBHSA-N 1 0 390.597 3.161 20 10 GGCDRO O=C(c1ccc(Cl)cc1)N1CCC[N@@H+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000057104648 1407521261 /nfs/dbraw/zinc/52/12/61/1407521261.db2.gz WQBVSOWVIFIOEU-UHFFFAOYSA-N 1 0 388.851 3.122 20 10 GGCDRO CN(C)c1ccc(CNC(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)cc1F ZINC000057646996 1407676400 /nfs/dbraw/zinc/67/64/00/1407676400.db2.gz JOOCKNXNZFNXSN-LJQANCHMSA-N 1 0 376.451 3.133 20 10 GGCDRO COc1ccc(C[NH2+]Cc2ccc(S(=O)(=O)N(C)C(C)C)cc2)cc1C ZINC000063526128 1408367286 /nfs/dbraw/zinc/36/72/86/1408367286.db2.gz HTHXYGVACWPACU-UHFFFAOYSA-N 1 0 376.522 3.322 20 10 GGCDRO Cc1cc(C(=O)NCCN2CC[NH+](C)CC2)c(C)n1-c1cccc(C(C)C)c1 ZINC000063696020 1408393117 /nfs/dbraw/zinc/39/31/17/1408393117.db2.gz PNVGMORLYBPWCT-UHFFFAOYSA-N 1 0 382.552 3.195 20 10 GGCDRO C[NH+]1CCC(N2C(=O)/C(=C/c3cnn(Cc4ccccc4)c3)SC2=S)CC1 ZINC000063823928 1408421099 /nfs/dbraw/zinc/42/10/99/1408421099.db2.gz JCDDMDJIDQDWLX-WQRHYEAKSA-N 1 0 398.557 3.227 20 10 GGCDRO COc1ccc2ccc(O)c(C[NH+]3CCN(Cc4c(C)noc4C)CC3)c2c1 ZINC000064111656 1408485565 /nfs/dbraw/zinc/48/55/65/1408485565.db2.gz YMRXZQYYHUPEAH-UHFFFAOYSA-N 1 0 381.476 3.477 20 10 GGCDRO CC(C)C[NH+]1CCC(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)CC1 ZINC000065698444 1408714031 /nfs/dbraw/zinc/71/40/31/1408714031.db2.gz KUJGPUVCFXTSJF-GOSISDBHSA-N 1 0 388.556 3.004 20 10 GGCDRO NC(=O)[C@H]([NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccc(F)cc1 ZINC000066940613 1408958904 /nfs/dbraw/zinc/95/89/04/1408958904.db2.gz AZWHVFYRNUJUNY-GOSISDBHSA-N 1 0 393.409 3.212 20 10 GGCDRO Fc1cc(C[NH2+]C2CCN(CCc3ccccc3)CC2)ccc1N1CCOCC1 ZINC000066972372 1408969240 /nfs/dbraw/zinc/96/92/40/1408969240.db2.gz VASBXBLPXPFUEY-UHFFFAOYSA-N 1 0 397.538 3.459 20 10 GGCDRO Cc1ccc([C@H](C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)N2CCCC2)o1 ZINC000066991962 1408974002 /nfs/dbraw/zinc/97/40/02/1408974002.db2.gz WYNOYMCEOFUHCG-NRFANRHFSA-N 1 0 387.499 3.490 20 10 GGCDRO CCN(CC)[C@@H](C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1ccco1 ZINC000066990922 1408974134 /nfs/dbraw/zinc/97/41/34/1408974134.db2.gz XLMOGUAZDLZDSO-FQEVSTJZSA-N 1 0 375.488 3.428 20 10 GGCDRO Cc1ccc(-c2n[nH]cc2C[NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)o1 ZINC000067247415 1409052176 /nfs/dbraw/zinc/05/21/76/1409052176.db2.gz QZWQCZLEDUWDAF-UHFFFAOYSA-N 1 0 380.492 3.477 20 10 GGCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000176622083 1428382458 /nfs/dbraw/zinc/38/24/58/1428382458.db2.gz ZZDORJKXTKUZFH-UHFFFAOYSA-N 1 0 390.572 3.174 20 10 GGCDRO Cc1cc(C(=O)NC[C@H](C)N2CC[NH+](C)CC2)c(C)n1-c1cc(C)cc(C)c1 ZINC000176671320 1428399419 /nfs/dbraw/zinc/39/94/19/1428399419.db2.gz YHASYDYXIXOSLU-IBGZPJMESA-N 1 0 382.552 3.077 20 10 GGCDRO CCC[N@H+](CC(=O)NCc1ccccc1Cn1cccn1)Cc1ccccc1O ZINC000068973672 1409535785 /nfs/dbraw/zinc/53/57/85/1409535785.db2.gz HMXXAJFEGVFGRE-UHFFFAOYSA-N 1 0 392.503 3.165 20 10 GGCDRO COc1ccc(CCC(=O)N2CC[NH+](Cc3cc(C)c(C)cc3O)CC2)cc1 ZINC000068986533 1409538057 /nfs/dbraw/zinc/53/80/57/1409538057.db2.gz YUAMPZSNOYURIQ-UHFFFAOYSA-N 1 0 382.504 3.295 20 10 GGCDRO CCCCNC(=O)c1ccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000069681248 1409674257 /nfs/dbraw/zinc/67/42/57/1409674257.db2.gz ATVPDUMWDMNOTC-UHFFFAOYSA-N 1 0 381.520 3.343 20 10 GGCDRO CC(C)[C@@H](C)[N@@H+]1Cc2cccc(NC(=O)C(=O)N(C)Cc3ccccc3O)c2C1 ZINC000069932116 1409727627 /nfs/dbraw/zinc/72/76/27/1409727627.db2.gz XJTMOANDQNIJDZ-MRXNPFEDSA-N 1 0 395.503 3.349 20 10 GGCDRO O=c1cc(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)nc2ccc(Cl)cn12 ZINC000070975919 1409809475 /nfs/dbraw/zinc/80/94/75/1409809475.db2.gz PYRFBEHBARTFSP-GOSISDBHSA-N 1 0 399.878 3.235 20 10 GGCDRO CN(Cc1ccccc1F)C(=O)C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000070976551 1409809662 /nfs/dbraw/zinc/80/96/62/1409809662.db2.gz BIIPUCNTIIUPJX-LJQANCHMSA-N 1 0 386.467 3.171 20 10 GGCDRO CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000079052817 1409952614 /nfs/dbraw/zinc/95/26/14/1409952614.db2.gz YLVFBIXMRBSBRK-WOJBJXKFSA-N 1 0 389.540 3.449 20 10 GGCDRO CC(=O)c1cc(F)cc(C[NH+]2CCC(C(=O)N3CCC[C@H](C)C3)CC2)c1O ZINC000079399693 1409974613 /nfs/dbraw/zinc/97/46/13/1409974613.db2.gz GPENDVLYWDMRDI-AWEZNQCLSA-N 1 0 376.472 3.204 20 10 GGCDRO CON(C)C(=O)[C@H](CCSC)[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000090462838 1410064435 /nfs/dbraw/zinc/06/44/35/1410064435.db2.gz FDSPXELXVPLSFF-LPHOPBHVSA-N 1 0 379.570 3.469 20 10 GGCDRO COc1cccc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)c1O ZINC000091856840 1410086349 /nfs/dbraw/zinc/08/63/49/1410086349.db2.gz BWPCJEWIRMUMCR-AWEZNQCLSA-N 1 0 375.856 3.300 20 10 GGCDRO CCOc1cc(C[N@H+](C)Cc2ccccc2O)ccc1O[C@@H](C)C(=O)N(C)C ZINC000091956627 1410095153 /nfs/dbraw/zinc/09/51/53/1410095153.db2.gz OSGDIJOQGSEVLM-INIZCTEOSA-N 1 0 386.492 3.278 20 10 GGCDRO COc1cccc(C[N@H+](C)C[C@@H](O)COc2ccc(C(F)(F)F)cc2)c1O ZINC000092189736 1410119224 /nfs/dbraw/zinc/11/92/24/1410119224.db2.gz LPGMQYBSEJHGEN-OAHLLOKOSA-N 1 0 385.382 3.291 20 10 GGCDRO O=C(Nc1ccccc1)NC1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000092480438 1410160279 /nfs/dbraw/zinc/16/02/79/1410160279.db2.gz IVHAQYGCALVDAC-UHFFFAOYSA-N 1 0 394.519 3.309 20 10 GGCDRO CCOc1ccc(O)c(C[NH+]2CCC(NC(=O)NC3CCCCC3)CC2)c1 ZINC000092481380 1410161573 /nfs/dbraw/zinc/16/15/73/1410161573.db2.gz XBJYROUVPWEJRX-UHFFFAOYSA-N 1 0 375.513 3.387 20 10 GGCDRO COc1cccc(C[NH+]2CCN(Cc3cn4cc(Cl)ccc4n3)CC2)c1O ZINC000092539066 1410170395 /nfs/dbraw/zinc/17/03/95/1410170395.db2.gz UBXKJQXPTAFSSE-UHFFFAOYSA-N 1 0 386.883 3.020 20 10 GGCDRO CCOC(=O)c1ccc(N2CCC[N@H+](Cc3cc(Cl)ccc3O)CC2)nc1 ZINC000092644069 1410181532 /nfs/dbraw/zinc/18/15/32/1410181532.db2.gz FNQJSMCYMJJALL-UHFFFAOYSA-N 1 0 389.883 3.330 20 10 GGCDRO CCOc1ccc(O)c(C[NH+]2CCC(C(=O)NCCc3cccs3)CC2)c1 ZINC000092644561 1410182164 /nfs/dbraw/zinc/18/21/64/1410182164.db2.gz NTAXVLICZUDFEM-UHFFFAOYSA-N 1 0 388.533 3.423 20 10 GGCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)C1CCN(CCc2ccccn2)CC1 ZINC000092645233 1410182521 /nfs/dbraw/zinc/18/25/21/1410182521.db2.gz BIEXFZJYJPAEOA-UHFFFAOYSA-N 1 0 394.563 3.057 20 10 GGCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)c1 ZINC000092668934 1410187452 /nfs/dbraw/zinc/18/74/52/1410187452.db2.gz YRZMBPNXPNDUPO-HXUWFJFHSA-N 1 0 380.536 3.130 20 10 GGCDRO CC(=O)Nc1ccc(OC[C@@H](O)C[N@H+](Cc2cc(C)ccc2O)C(C)C)cc1 ZINC000093149119 1410226158 /nfs/dbraw/zinc/22/61/58/1410226158.db2.gz PQAOBXIXBMDPAG-FQEVSTJZSA-N 1 0 386.492 3.309 20 10 GGCDRO CN(C)C(=O)c1ccc(C[NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)[nH]1 ZINC000176798827 1428466564 /nfs/dbraw/zinc/46/65/64/1428466564.db2.gz WXGJWLZTCLTALN-HNNXBMFYSA-N 1 0 392.450 3.077 20 10 GGCDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3cc(Br)ccc3O)C2)nc1 ZINC000093534201 1410250959 /nfs/dbraw/zinc/25/09/59/1410250959.db2.gz GOEYUVYNBXDTCU-ZDUSSCGKSA-N 1 0 393.241 3.144 20 10 GGCDRO COc1cc(Br)cc(CN2CC[C@@H](C[NH+]3CCCCC3)C2)c1O ZINC000093683433 1410259310 /nfs/dbraw/zinc/25/93/10/1410259310.db2.gz LDSCGSJPESPEHW-AWEZNQCLSA-N 1 0 383.330 3.471 20 10 GGCDRO CCN(Cc1ccccc1)c1ccc(C[N@@H+]2CCc3nn(C)c(=O)cc3C2)cc1 ZINC000093756065 1410263597 /nfs/dbraw/zinc/26/35/97/1410263597.db2.gz OYODCMVKYAXOEU-UHFFFAOYSA-N 1 0 388.515 3.365 20 10 GGCDRO COc1cc(CN2CC[NH+](Cc3cc(C)ccc3O)CC2)cc(OC)c1OC ZINC000093760517 1410264510 /nfs/dbraw/zinc/26/45/10/1410264510.db2.gz WJFFOIIXFJPVDZ-UHFFFAOYSA-N 1 0 386.492 3.044 20 10 GGCDRO C[N@H+](Cc1cc2c(cc1O)OCO2)[C@H](CO)c1cccc(Br)c1 ZINC000093815636 1410270701 /nfs/dbraw/zinc/27/07/01/1410270701.db2.gz NPATTYCDHNALBG-CQSZACIVSA-N 1 0 380.238 3.049 20 10 GGCDRO COc1ccc(N2CC[NH+](CCCNc3ncnc4ccc(F)cc43)CC2)cc1 ZINC000097497484 1410372653 /nfs/dbraw/zinc/37/26/53/1410372653.db2.gz FSSWPGLNMBOZCX-UHFFFAOYSA-N 1 0 395.482 3.402 20 10 GGCDRO COc1ccc(N2CC[NH+](CCCNC(=O)/C=C\c3ccccc3)CC2)cc1 ZINC000098004004 1410394181 /nfs/dbraw/zinc/39/41/81/1410394181.db2.gz WRULUPYYUAUTLK-JYRVWZFOSA-N 1 0 379.504 3.037 20 10 GGCDRO CC(C)(C)c1cc(O)c(O)c(C[NH+]2CCC(C(=O)Nc3nncs3)CC2)c1 ZINC000098051665 1410403037 /nfs/dbraw/zinc/40/30/37/1410403037.db2.gz WNEJKVKBHBDICS-UHFFFAOYSA-N 1 0 390.509 3.098 20 10 GGCDRO Cc1ccc(-c2n[nH]cc2C[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)o1 ZINC000098173797 1410436662 /nfs/dbraw/zinc/43/66/62/1410436662.db2.gz BTAMTFCVRSMNKX-UHFFFAOYSA-N 1 0 384.455 3.368 20 10 GGCDRO COc1ccc(N2CCN(CCC[NH2+]CC3=Cc4ccccc4OC3)CC2)cc1 ZINC000102420241 1410625695 /nfs/dbraw/zinc/62/56/95/1410625695.db2.gz JGKAGBAMTXRLHI-UHFFFAOYSA-N 1 0 393.531 3.273 20 10 GGCDRO COc1ccc(N2CCC(NC(=O)NCc3cccc(C[NH+](C)C)c3)CC2)cc1 ZINC000102443675 1410629580 /nfs/dbraw/zinc/62/95/80/1410629580.db2.gz KBJHQIFQLQXPGB-UHFFFAOYSA-N 1 0 396.535 3.225 20 10 GGCDRO CN(C)c1ccc(CN(C)C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)cc1 ZINC000103319146 1410846859 /nfs/dbraw/zinc/84/68/59/1410846859.db2.gz USXOQKFGWVEMHK-QFIPXVFZSA-N 1 0 394.563 3.459 20 10 GGCDRO COc1ccc(O)c([C@@H](C)NC(=O)NCCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000103509080 1410864885 /nfs/dbraw/zinc/86/48/85/1410864885.db2.gz MDBGUCFUAHFXDF-MRXNPFEDSA-N 1 0 383.492 3.209 20 10 GGCDRO COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000103512849 1410865515 /nfs/dbraw/zinc/86/55/15/1410865515.db2.gz XRJVYADLSRCYLJ-WMZOPIPTSA-N 1 0 383.492 3.426 20 10 GGCDRO COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)c1 ZINC000103515625 1410865673 /nfs/dbraw/zinc/86/56/73/1410865673.db2.gz SBXBLVRFVNRUGW-YJBOKZPZSA-N 1 0 387.480 3.500 20 10 GGCDRO COc1ccc(O)c([C@H](C)NC(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)c1 ZINC000103608158 1410868586 /nfs/dbraw/zinc/86/85/86/1410868586.db2.gz XQCCDEVGFSDPAC-SCLBCKFNSA-N 1 0 375.444 3.203 20 10 GGCDRO CC[NH+](CC)[C@H](CNC(=O)N[C@H](C)c1cc(OC)ccc1O)c1ccco1 ZINC000103611761 1410869003 /nfs/dbraw/zinc/86/90/03/1410869003.db2.gz GWNBAIXCXXHXAQ-RHSMWYFYSA-N 1 0 375.469 3.437 20 10 GGCDRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2sccc2-n2c(C)ccc2C)CC1 ZINC000104191661 1410886591 /nfs/dbraw/zinc/88/65/91/1410886591.db2.gz GMESQAAJYRPOJL-MRXNPFEDSA-N 1 0 388.581 3.159 20 10 GGCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@H](c1ccc(F)cc1)C1CCC1)cc2=O ZINC000104703172 1410933425 /nfs/dbraw/zinc/93/34/25/1410933425.db2.gz RCFUVOPIAUIYHG-IBGZPJMESA-N 1 0 398.438 3.382 20 10 GGCDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCc2ccc(N3CCSCC3)cc2)C1 ZINC000105152336 1411034989 /nfs/dbraw/zinc/03/49/89/1411034989.db2.gz YVQZOOWANGEDAI-LJQANCHMSA-N 1 0 390.597 3.159 20 10 GGCDRO CC(C)[C@@H](CNC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)[NH+]1CCCC1 ZINC000105194121 1411040763 /nfs/dbraw/zinc/04/07/63/1411040763.db2.gz MYDNGHUXRIZPAV-WIYYLYMNSA-N 1 0 388.556 3.004 20 10 GGCDRO C[C@@H](CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)[N@H+](C)C1CC1 ZINC000105228883 1411044864 /nfs/dbraw/zinc/04/48/64/1411044864.db2.gz RCBHQPKEDRPJMP-AWEZNQCLSA-N 1 0 396.482 3.039 20 10 GGCDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)C1 ZINC000105274420 1411049005 /nfs/dbraw/zinc/04/90/05/1411049005.db2.gz JDHULLRLMOJUIR-ICSRJNTNSA-N 1 0 389.540 3.203 20 10 GGCDRO COc1cccc(C[NH2+]Cc2cc(Br)c(OC)c(OC)c2)c1O ZINC000105481062 1411071173 /nfs/dbraw/zinc/07/11/73/1411071173.db2.gz XYOBQMOSYPKJTQ-UHFFFAOYSA-N 1 0 382.254 3.470 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3Cc4ccccc4C3)cc2F)CC1 ZINC000106584801 1411258524 /nfs/dbraw/zinc/25/85/24/1411258524.db2.gz YQBDTPUCYWVYJY-UHFFFAOYSA-N 1 0 382.483 3.193 20 10 GGCDRO CCN(Cc1ccoc1)C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000106584770 1411258746 /nfs/dbraw/zinc/25/87/46/1411258746.db2.gz YFJBEUVMERYMHR-UHFFFAOYSA-N 1 0 388.487 3.292 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N(C)[C@H](C)c3ccco3)cc2F)CC1 ZINC000106584816 1411258884 /nfs/dbraw/zinc/25/88/84/1411258884.db2.gz JKVGIIVJPPYZIP-MRXNPFEDSA-N 1 0 388.487 3.463 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@](C)(OC)c3ccccc3)cc2F)CC1 ZINC000106702289 1411280684 /nfs/dbraw/zinc/28/06/84/1411280684.db2.gz LGQUNNUJJQECHJ-HSZRJFAPSA-N 1 0 399.510 3.146 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)CCOc3ccccc3)cc2F)CC1 ZINC000106702345 1411280834 /nfs/dbraw/zinc/28/08/34/1411280834.db2.gz AUPABSLIZDHGQB-UHFFFAOYSA-N 1 0 385.483 3.053 20 10 GGCDRO CCO[C@@H](C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1)c1ccccc1 ZINC000106702266 1411281246 /nfs/dbraw/zinc/28/12/46/1411281246.db2.gz CTBNXBAKBMGMBZ-JOCHJYFZSA-N 1 0 399.510 3.362 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H](C)OCc3ccccc3)cc2F)CC1 ZINC000106702428 1411281268 /nfs/dbraw/zinc/28/12/68/1411281268.db2.gz QEXBILZWGJTAHO-GOSISDBHSA-N 1 0 399.510 3.189 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CCOc4ccccc43)cc2F)CC1 ZINC000106702690 1411281362 /nfs/dbraw/zinc/28/13/62/1411281362.db2.gz UXKGCJIVLGMRNR-IBGZPJMESA-N 1 0 397.494 3.150 20 10 GGCDRO COc1ccc(N2CCCN(Cc3nc4cc([N+](=O)[O-])ccc4o3)CC2)cc1 ZINC000177017291 1428555171 /nfs/dbraw/zinc/55/51/71/1428555171.db2.gz RYTRUXPEJVANBK-UHFFFAOYSA-N 1 0 382.420 3.457 20 10 GGCDRO C[NH+](C)[C@@H](CNC(=O)/C=C/c1ccc(N2CCOCC2)cc1)c1cccs1 ZINC000108765661 1411603712 /nfs/dbraw/zinc/60/37/12/1411603712.db2.gz ATJGLZHVSBXKNN-VQFGERMISA-N 1 0 385.533 3.017 20 10 GGCDRO COc1ccc(N2CC[NH+](CCCNC(=O)[C@@H](C)c3ccccc3F)CC2)cc1 ZINC000108986977 1411655071 /nfs/dbraw/zinc/65/50/71/1411655071.db2.gz CNJSGVMIXGFYJZ-SFHVURJKSA-N 1 0 399.510 3.266 20 10 GGCDRO C[C@@H]([NH2+][C@H](C)c1ccc(N2CCOCC2)cc1)C(=O)N(C)Cc1cccc(F)c1 ZINC000109347508 1411745858 /nfs/dbraw/zinc/74/58/58/1411745858.db2.gz BFDGADZNQKJHAZ-QZTJIDSGSA-N 1 0 399.510 3.360 20 10 GGCDRO C[N@H+](CC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1)Cc1ccccc1O ZINC000109769233 1411808927 /nfs/dbraw/zinc/80/89/27/1411808927.db2.gz DAMJYHCJLDTSGF-UHFFFAOYSA-N 1 0 396.487 3.181 20 10 GGCDRO C[C@H](NC(=O)C[N@H+](C)Cc1ccccc1O)c1ccc(Br)cc1 ZINC000109769348 1411809082 /nfs/dbraw/zinc/80/90/82/1411809082.db2.gz NTCFVYXACBESLW-ZDUSSCGKSA-N 1 0 377.282 3.464 20 10 GGCDRO CC(C)(C)OC(=O)NC[C@](C)([NH2+]Cc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000109844887 1411813571 /nfs/dbraw/zinc/81/35/71/1411813571.db2.gz NBZTYNIERICJKP-QFIPXVFZSA-N 1 0 389.540 3.306 20 10 GGCDRO CC(C)(C)OC(=O)NC[C@@](C)([NH2+]Cc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000109844890 1411813587 /nfs/dbraw/zinc/81/35/87/1411813587.db2.gz NBZTYNIERICJKP-JOCHJYFZSA-N 1 0 389.540 3.306 20 10 GGCDRO Cc1cc(C(=O)N(C)CCCN2CC[NH+](C)CC2)c(C)n1-c1cccc(C)c1 ZINC000110018839 1411825423 /nfs/dbraw/zinc/82/54/23/1411825423.db2.gz MHLWVJZPBNVWRV-UHFFFAOYSA-N 1 0 382.552 3.112 20 10 GGCDRO CCC[N@H+](CC(=O)NCCOc1ccc(Cl)cc1)Cc1ccccc1O ZINC000110079415 1411830357 /nfs/dbraw/zinc/83/03/57/1411830357.db2.gz OPFFQMKARCYFSB-UHFFFAOYSA-N 1 0 376.884 3.453 20 10 GGCDRO CCC[N@H+](Cc1ccc(S(=O)(=O)N2CCCC2)o1)Cc1ccccc1O ZINC000110728902 1411866767 /nfs/dbraw/zinc/86/67/67/1411866767.db2.gz WEKMMHPEDSQOKY-UHFFFAOYSA-N 1 0 378.494 3.182 20 10 GGCDRO CCC[N@H+](CC(=O)NCC(=O)Nc1c(C)cc(C)cc1C)Cc1ccccc1O ZINC000110733857 1411867234 /nfs/dbraw/zinc/86/72/34/1411867234.db2.gz YZFDECWFLWMQLW-UHFFFAOYSA-N 1 0 397.519 3.284 20 10 GGCDRO Cc1cc(C(=O)NCC2([NH+]3CCCCC3)CCOCC2)c(C)n1-c1ccccn1 ZINC000111101359 1411887214 /nfs/dbraw/zinc/88/72/14/1411887214.db2.gz JINGUYCHJKRMSS-UHFFFAOYSA-N 1 0 396.535 3.254 20 10 GGCDRO O=c1[nH]c(CC[N@H+](Cc2ccco2)Cc2ccccc2O)nc2ccccc12 ZINC000111232757 1411896686 /nfs/dbraw/zinc/89/66/86/1411896686.db2.gz NEDARWBTPDPNJA-UHFFFAOYSA-N 1 0 375.428 3.467 20 10 GGCDRO COc1ccc([C@@H]2CCCN2C(=O)C[N@H+](C)Cc2ccccc2O)cc1OC ZINC000111235700 1411896831 /nfs/dbraw/zinc/89/68/31/1411896831.db2.gz KOMIACQBVSKKKV-SFHVURJKSA-N 1 0 384.476 3.205 20 10 GGCDRO C[N@H+](CC(=O)NCCOc1ccc(C(F)(F)F)cc1)Cc1ccccc1O ZINC000111235218 1411896874 /nfs/dbraw/zinc/89/68/74/1411896874.db2.gz FTJZGTKVPNYROY-UHFFFAOYSA-N 1 0 382.382 3.038 20 10 GGCDRO O=C(CCC[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)N1Cc2ccccc2C1 ZINC000111405986 1411944257 /nfs/dbraw/zinc/94/42/57/1411944257.db2.gz LICMKDSYSQPMBX-UHFFFAOYSA-N 1 0 397.494 3.075 20 10 GGCDRO COc1ccc(O)c([C@H](C)NC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000111608350 1412001278 /nfs/dbraw/zinc/00/12/78/1412001278.db2.gz LDXYMXRGMQGYJY-SFHVURJKSA-N 1 0 397.519 3.180 20 10 GGCDRO C[C@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1=O)c1ccc(N2CCOCC2)cc1 ZINC000112366998 1412135991 /nfs/dbraw/zinc/13/59/91/1412135991.db2.gz BDSNPOQOMXOQHX-OXJNMPFZSA-N 1 0 383.467 3.118 20 10 GGCDRO Cc1nc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)sc1C ZINC000112536807 1412165400 /nfs/dbraw/zinc/16/54/00/1412165400.db2.gz FASZXKSCTLHDNK-LSDHHAIUSA-N 1 0 388.537 3.274 20 10 GGCDRO COc1ccc(N2CC[NH+](CCCNCc3csc(C4CC4)n3)CC2)cc1 ZINC000113315437 1412291459 /nfs/dbraw/zinc/29/14/59/1412291459.db2.gz KUETZBDQRVVEAW-UHFFFAOYSA-N 1 0 386.565 3.331 20 10 GGCDRO O=C(NCC[NH2+]Cc1c(O)cccc1Cl)c1ccc(Br)cc1 ZINC000113326050 1412292581 /nfs/dbraw/zinc/29/25/81/1412292581.db2.gz LIXDHWAPAOJMOZ-UHFFFAOYSA-N 1 0 383.673 3.328 20 10 GGCDRO C[C@@H]1CN(C(=O)c2ccc(C[NH2+]Cc3ccc(N(C)C)c(F)c3)cc2)C[C@H](C)O1 ZINC000113328397 1412293421 /nfs/dbraw/zinc/29/34/21/1412293421.db2.gz JBVGTJNVXKEECP-CALCHBBNSA-N 1 0 399.510 3.431 20 10 GGCDRO Oc1cccc(Cl)c1C[NH2+]Cc1ccccc1OCCN1CCOCC1 ZINC000113329529 1412293451 /nfs/dbraw/zinc/29/34/51/1412293451.db2.gz FNDJUYLPFYRRNZ-UHFFFAOYSA-N 1 0 376.884 3.046 20 10 GGCDRO CC(C)NS(=O)(=O)Cc1ccc(C[NH2+]Cc2ccc(N(C)C)c(F)c2)cc1 ZINC000113328179 1412293560 /nfs/dbraw/zinc/29/35/60/1412293560.db2.gz SXRIDSUUQCLTCV-UHFFFAOYSA-N 1 0 393.528 3.009 20 10 GGCDRO O=C(NCC[NH2+]Cc1cc(Cl)ccc1O)c1cccc(Br)c1 ZINC000113354489 1412297244 /nfs/dbraw/zinc/29/72/44/1412297244.db2.gz OHZYZUGQKNXBGO-UHFFFAOYSA-N 1 0 383.673 3.328 20 10 GGCDRO CN(C)c1ccc(C[NH2+]CCNC(=O)c2cccc(Br)c2)cc1 ZINC000113354604 1412297492 /nfs/dbraw/zinc/29/74/92/1412297492.db2.gz RIFVHWAHBPIFHG-UHFFFAOYSA-N 1 0 376.298 3.035 20 10 GGCDRO O=C1[C@H]([NH2+]Cc2cc3c(cc2O)OCO3)CCN1c1ccc(C(F)(F)F)cc1 ZINC000113960660 1412359820 /nfs/dbraw/zinc/35/98/20/1412359820.db2.gz VHKAYOJEFWYGJB-CQSZACIVSA-N 1 0 394.349 3.035 20 10 GGCDRO CC[NH+](CC)[C@H](CNC(=O)NCc1cc(OC)ccc1O)Cc1ccccc1 ZINC000114587131 1412467906 /nfs/dbraw/zinc/46/79/06/1412467906.db2.gz YXTYDHQHBNMFJC-IBGZPJMESA-N 1 0 385.508 3.153 20 10 GGCDRO CC[NH+](CC)[C@H](CNC(=O)NCc1cc(OC)ccc1O)c1ccsc1 ZINC000114587087 1412467949 /nfs/dbraw/zinc/46/79/49/1412467949.db2.gz AXQCEXZQTNVNFS-QGZVFWFLSA-N 1 0 377.510 3.345 20 10 GGCDRO C[C@H]([N@H+](C)CC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)C1(C)CC1 ZINC000177253251 1428653772 /nfs/dbraw/zinc/65/37/72/1428653772.db2.gz SRTWMNBJMVJESN-BBWFWOEESA-N 1 0 391.531 3.176 20 10 GGCDRO C[C@@H]([NH2+][C@H](C)c1ccc(N2CCOCC2)cc1)C(=O)NCc1ccccc1F ZINC000114750575 1412518661 /nfs/dbraw/zinc/51/86/61/1412518661.db2.gz ZANDFWFGNIAIBP-IAGOWNOFSA-N 1 0 385.483 3.018 20 10 GGCDRO COc1ccc(O)c([C@@H](C)NC(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000114791947 1412525980 /nfs/dbraw/zinc/52/59/80/1412525980.db2.gz FVHQVSKSDUQDHU-SJLPKXTDSA-N 1 0 383.492 3.426 20 10 GGCDRO C[C@@H]([NH2+][C@H]1CCCN(c2ccccc2)C1=O)c1ccc(N2CCOCC2)cc1 ZINC000115598415 1412727087 /nfs/dbraw/zinc/72/70/87/1412727087.db2.gz GJUYQVRRWQITEQ-GCJKJVERSA-N 1 0 379.504 3.369 20 10 GGCDRO C[C@H]([NH2+][C@H]1CCCN(c2ccccc2)C1=O)c1ccc(N2CCOCC2)cc1 ZINC000115598414 1412727336 /nfs/dbraw/zinc/72/73/36/1412727336.db2.gz GJUYQVRRWQITEQ-AVRDEDQJSA-N 1 0 379.504 3.369 20 10 GGCDRO Cc1cc(N(C)C)ccc1CNC(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000115660493 1412749915 /nfs/dbraw/zinc/74/99/15/1412749915.db2.gz MMRRTHOGUIBMDN-UHFFFAOYSA-N 1 0 384.524 3.001 20 10 GGCDRO COc1cccc([C@H](CNC(=O)NCc2ccc(N(C)C)cc2C)[NH+](C)C)c1 ZINC000115785639 1412788201 /nfs/dbraw/zinc/78/82/01/1412788201.db2.gz GCEQBQWSJOCNGE-NRFANRHFSA-N 1 0 384.524 3.172 20 10 GGCDRO O=c1c2ccccc2ncn1CC[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000117340587 1413027958 /nfs/dbraw/zinc/02/79/58/1413027958.db2.gz LJXCRIJBKASVMI-UHFFFAOYSA-N 1 0 375.428 3.398 20 10 GGCDRO COc1ccc(C(=O)N2CCC([NH2+]Cc3cc(C)ccc3O)CC2)cc1OC ZINC000118452154 1413161872 /nfs/dbraw/zinc/16/18/72/1413161872.db2.gz CJLGLSSRMREKME-UHFFFAOYSA-N 1 0 384.476 3.112 20 10 GGCDRO CN(C)c1ccc(CNC(=O)C[NH+]2CCC(c3c[nH]c4ncccc34)CC2)cc1 ZINC000118837760 1413240945 /nfs/dbraw/zinc/24/09/45/1413240945.db2.gz BOSLJMLFXZJRRD-UHFFFAOYSA-N 1 0 391.519 3.125 20 10 GGCDRO CC(C)[N@H+](CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)C1CCC1 ZINC000119703323 1413539125 /nfs/dbraw/zinc/53/91/25/1413539125.db2.gz WCCXVJCIQJPEKR-IAGOWNOFSA-N 1 0 391.531 3.318 20 10 GGCDRO C[C@@H]([NH2+]CCCN(C)C(=O)OC(C)(C)C)c1ccc(N2CCOCC2)cc1 ZINC000120241556 1413747726 /nfs/dbraw/zinc/74/77/26/1413747726.db2.gz PHNHQRPRHOCOJP-QGZVFWFLSA-N 1 0 377.529 3.431 20 10 GGCDRO COc1ccc([C@@H](CCO)[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000120397602 1413809306 /nfs/dbraw/zinc/80/93/06/1413809306.db2.gz LMIUUTNIMYVPSZ-HRAATJIYSA-N 1 0 388.483 3.445 20 10 GGCDRO CCN(C(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1)C1CCCC1 ZINC000120810207 1413910354 /nfs/dbraw/zinc/91/03/54/1413910354.db2.gz PKXYRKFGHAJUIT-UHFFFAOYSA-N 1 0 388.556 3.181 20 10 GGCDRO CN(CC(=O)Nc1nc2ccccc2s1)Cc1ccc(N2CCOCC2)cc1 ZINC000120858543 1413928385 /nfs/dbraw/zinc/92/83/85/1413928385.db2.gz SCCQHLSUBOPEOI-UHFFFAOYSA-N 1 0 396.516 3.203 20 10 GGCDRO C[C@H]1CC(C)(C)CC[C@H]1[NH2+]CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000120903531 1413942971 /nfs/dbraw/zinc/94/29/71/1413942971.db2.gz LHUOCGULPOZSBV-QFBILLFUSA-N 1 0 391.531 3.083 20 10 GGCDRO COc1ccc(OC)c2c1CN(Cc1cc(Br)ccc1O)C[C@H]2O ZINC000121074436 1413997514 /nfs/dbraw/zinc/99/75/14/1413997514.db2.gz BFKMRPJIFKJZMH-OAHLLOKOSA-N 1 0 394.265 3.221 20 10 GGCDRO COc1ccc(OC)c2c1CN(Cc1cc(Br)ccc1O)C[C@@H]2O ZINC000121074292 1413997568 /nfs/dbraw/zinc/99/75/68/1413997568.db2.gz BFKMRPJIFKJZMH-HNNXBMFYSA-N 1 0 394.265 3.221 20 10 GGCDRO COc1cc2c(c(C[N@H+](C)Cc3ccc(N4CCOCC4)cc3)c1)O[C@@H](C)C2 ZINC000121293145 1414074591 /nfs/dbraw/zinc/07/45/91/1414074591.db2.gz JSBLQFIVBPXCSN-KRWDZBQOSA-N 1 0 382.504 3.487 20 10 GGCDRO COCOc1ccc(OC)cc1C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000121318941 1414081972 /nfs/dbraw/zinc/08/19/72/1414081972.db2.gz FUHOIJACDHXENS-UHFFFAOYSA-N 1 0 386.492 3.147 20 10 GGCDRO CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000121493285 1414148747 /nfs/dbraw/zinc/14/87/47/1414148747.db2.gz BYCKFSGZEZDTQY-INIZCTEOSA-N 1 0 377.282 3.073 20 10 GGCDRO Fc1cc(C[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)ccc1N1CCOCC1 ZINC000121776696 1414253712 /nfs/dbraw/zinc/25/37/12/1414253712.db2.gz PYRQRZIUNIKVKX-GOSISDBHSA-N 1 0 395.482 3.085 20 10 GGCDRO Cc1cc(C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)c(C)n1-c1cccc(C)c1 ZINC000122014126 1414340312 /nfs/dbraw/zinc/34/03/12/1414340312.db2.gz ASVICCBRRMHNQM-GOSISDBHSA-N 1 0 382.552 3.016 20 10 GGCDRO CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000122166217 1414377893 /nfs/dbraw/zinc/37/78/93/1414377893.db2.gz KYZBABHIMSARHW-ROUUACIJSA-N 1 0 393.503 3.198 20 10 GGCDRO C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000122215751 1414391395 /nfs/dbraw/zinc/39/13/95/1414391395.db2.gz OYRWLUWCHBVQOP-ROUUACIJSA-N 1 0 388.533 3.036 20 10 GGCDRO C[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000122215972 1414391408 /nfs/dbraw/zinc/39/14/08/1414391408.db2.gz OYRWLUWCHBVQOP-MSOLQXFVSA-N 1 0 388.533 3.036 20 10 GGCDRO COc1cc(C(=O)Nc2cccc(N3CC[NH+](C(C)C)CC3)c2)ccc1[N+](=O)[O-] ZINC000122249287 1414401424 /nfs/dbraw/zinc/40/14/24/1414401424.db2.gz HMIWFNXRSYBOFC-UHFFFAOYSA-N 1 0 398.463 3.386 20 10 GGCDRO COc1cc(OC)cc(C(=O)Nc2cccc(N3CC[NH+](C(C)C)CC3)c2)c1 ZINC000122259322 1414403895 /nfs/dbraw/zinc/40/38/95/1414403895.db2.gz UVWABOGHKRGJAS-UHFFFAOYSA-N 1 0 383.492 3.487 20 10 GGCDRO COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(N2CC[NH+](C(C)C)CC2)c1 ZINC000122286129 1414412123 /nfs/dbraw/zinc/41/21/23/1414412123.db2.gz PLRSTDMOYGXEFW-UHFFFAOYSA-N 1 0 398.463 3.386 20 10 GGCDRO COc1ccc(N2CCC([NH2+][C@H](C)CS(=O)(=O)c3ccccc3)CC2)cc1 ZINC000122307488 1414419097 /nfs/dbraw/zinc/41/90/97/1414419097.db2.gz FZDVPOOENPYFIJ-QGZVFWFLSA-N 1 0 388.533 3.116 20 10 GGCDRO CC(=O)NCc1ccc(C(=O)Nc2cccc(N3CC[NH+](C(C)C)CC3)c2)cc1 ZINC000122311383 1414420756 /nfs/dbraw/zinc/42/07/56/1414420756.db2.gz LWJBPGCLFXPFAD-UHFFFAOYSA-N 1 0 394.519 3.105 20 10 GGCDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)c3ccc([S@](C)=O)cc3)c2)CC1 ZINC000122343239 1414428903 /nfs/dbraw/zinc/42/89/03/1414428903.db2.gz PUCSTRJYXJVQEL-HHHXNRCGSA-N 1 0 385.533 3.207 20 10 GGCDRO COc1ccc(NC(=O)C[C@@H](C)[NH2+]Cc2ccc(N(C)C)c(F)c2)c(OC)c1 ZINC000122420781 1414454385 /nfs/dbraw/zinc/45/43/85/1414454385.db2.gz RDGYHEVUKCGJJE-CQSZACIVSA-N 1 0 389.471 3.416 20 10 GGCDRO COCCOc1cccc(C(=O)Nc2cccc(N3CC[NH+](C(C)C)CC3)c2)c1 ZINC000122469040 1414471681 /nfs/dbraw/zinc/47/16/81/1414471681.db2.gz VYQBUPBYQRJQRF-UHFFFAOYSA-N 1 0 397.519 3.495 20 10 GGCDRO CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000122577329 1414505909 /nfs/dbraw/zinc/50/59/09/1414505909.db2.gz UOTVPYNQSXSIGH-QFIPXVFZSA-N 1 0 397.519 3.381 20 10 GGCDRO COc1cc([C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2C)ccc1S(C)(=O)=O ZINC000122724560 1414548970 /nfs/dbraw/zinc/54/89/70/1414548970.db2.gz AVLLRYDKXNSOOQ-OAHLLOKOSA-N 1 0 376.522 3.324 20 10 GGCDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+](Cc2ccco2)Cc2ccccc2O)c1 ZINC000122823191 1414574085 /nfs/dbraw/zinc/57/40/85/1414574085.db2.gz DSYZVZKLGVUEPZ-GOSISDBHSA-N 1 0 398.415 3.336 20 10 GGCDRO COc1ccc(N2CCC([NH2+][C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)cc1 ZINC000123156967 1414656657 /nfs/dbraw/zinc/65/66/57/1414656657.db2.gz BRHGKFNNHGGLKC-QGZVFWFLSA-N 1 0 375.513 3.263 20 10 GGCDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)c3cccc(-c4nc[nH]n4)c3)c2)CC1 ZINC000123194070 1414665260 /nfs/dbraw/zinc/66/52/60/1414665260.db2.gz DIUVTZWQXIIUJU-UHFFFAOYSA-N 1 0 390.491 3.254 20 10 GGCDRO COc1ccc(N2CCCN(C(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)CC2)cc1 ZINC000177686764 1428833222 /nfs/dbraw/zinc/83/32/22/1428833222.db2.gz BGGPJQKZDRXZHB-IBGZPJMESA-N 1 0 385.552 3.389 20 10 GGCDRO Cc1ccccc1CN(C)C(=O)C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000123534933 1414766307 /nfs/dbraw/zinc/76/63/07/1414766307.db2.gz IFOIVISGGWNUSU-OAQYLSRUSA-N 1 0 382.504 3.340 20 10 GGCDRO O=S(=O)(NC1CC[NH+](Cc2c(O)cccc2Cl)CC1)c1cccs1 ZINC000123627700 1414800457 /nfs/dbraw/zinc/80/04/57/1414800457.db2.gz KGDQAFFKRVVXQQ-UHFFFAOYSA-N 1 0 386.926 3.050 20 10 GGCDRO Cc1cc(C(=O)NCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c(C)n1-c1ccccn1 ZINC000123727937 1414816541 /nfs/dbraw/zinc/81/65/41/1414816541.db2.gz WDQQCOOSTMZTQK-ROUUACIJSA-N 1 0 384.524 3.108 20 10 GGCDRO Cc1cc(C(=O)NCCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c(C)n1-c1ccccn1 ZINC000123727724 1414816799 /nfs/dbraw/zinc/81/67/99/1414816799.db2.gz WDQQCOOSTMZTQK-QZTJIDSGSA-N 1 0 384.524 3.108 20 10 GGCDRO COc1ccc(N2CC[NH+](C[C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)cc1F ZINC000177712657 1428839980 /nfs/dbraw/zinc/83/99/80/1428839980.db2.gz JNJUCESXRRYZTK-MRXNPFEDSA-N 1 0 393.503 3.213 20 10 GGCDRO c1sc(CC[NH2+]Cc2ccc(N3CCOCC3)cc2)nc1-c1ccccn1 ZINC000123970249 1414859491 /nfs/dbraw/zinc/85/94/91/1414859491.db2.gz MKTGXDGPTJKFTK-UHFFFAOYSA-N 1 0 380.517 3.374 20 10 GGCDRO COc1ccc(N2CCC([NH2+][C@H](CO)Cc3c[nH]c4ccccc34)CC2)cc1 ZINC000124033546 1414873295 /nfs/dbraw/zinc/87/32/95/1414873295.db2.gz NSPBGCGOECTGCX-IBGZPJMESA-N 1 0 379.504 3.339 20 10 GGCDRO COc1ccc(C[N@H+](Cc2ccccc2O)C2CCCC2)cc1OCC(N)=O ZINC000124085740 1414882739 /nfs/dbraw/zinc/88/27/39/1414882739.db2.gz YOAJCSGNQZHOPX-UHFFFAOYSA-N 1 0 384.476 3.210 20 10 GGCDRO C[C@@H]([NH2+][C@@H](CO)Cc1c[nH]c2ccccc12)c1ccc(N2CCOCC2)c(F)c1 ZINC000124141708 1414893835 /nfs/dbraw/zinc/89/38/35/1414893835.db2.gz VEZTXEHWMDUBHX-VQIMIIECSA-N 1 0 397.494 3.398 20 10 GGCDRO CC[C@@H]([NH2+]CC(=O)N1CCN(c2ccc(OC)cc2)CC1)c1ccc(OC)cc1 ZINC000124179810 1414901856 /nfs/dbraw/zinc/90/18/56/1414901856.db2.gz JCYGMIVCHSSBGH-JOCHJYFZSA-N 1 0 397.519 3.093 20 10 GGCDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000124708216 1415026896 /nfs/dbraw/zinc/02/68/96/1415026896.db2.gz GSQYIKPTCIJWAT-XXBNENTESA-N 1 0 390.531 3.383 20 10 GGCDRO C[C@H]([NH2+][C@H]1CC(=O)N(c2ccccc2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000177796007 1428860089 /nfs/dbraw/zinc/86/00/89/1428860089.db2.gz QZWSOXGFKXOTDL-WMZOPIPTSA-N 1 0 383.467 3.118 20 10 GGCDRO C[C@@H]([NH2+][C@H]1CC(=O)N(c2ccccc2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000177796015 1428860178 /nfs/dbraw/zinc/86/01/78/1428860178.db2.gz QZWSOXGFKXOTDL-AEFFLSMTSA-N 1 0 383.467 3.118 20 10 GGCDRO COc1ccc(N2CCC([NH2+]C[C@@H](O)c3cc(OC)ccc3OC)CC2)cc1 ZINC000124980701 1415085560 /nfs/dbraw/zinc/08/55/60/1415085560.db2.gz YWMKJRWRZGVKGQ-OAQYLSRUSA-N 1 0 386.492 3.004 20 10 GGCDRO CN(C)c1ccc(CN(C)C(=O)NCc2ccccc2OCC[NH+](C)C)cc1 ZINC000125317125 1415162701 /nfs/dbraw/zinc/16/27/01/1415162701.db2.gz ZJAQCOIQSWCMDK-UHFFFAOYSA-N 1 0 384.524 3.035 20 10 GGCDRO C[C@@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000125748366 1415269453 /nfs/dbraw/zinc/26/94/53/1415269453.db2.gz PXMFLJQBPBECAE-ZIAGYGMSSA-N 1 0 391.865 3.464 20 10 GGCDRO C[C@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000125748122 1415269819 /nfs/dbraw/zinc/26/98/19/1415269819.db2.gz PXMFLJQBPBECAE-UONOGXRCSA-N 1 0 391.865 3.464 20 10 GGCDRO C[NH+](C)CCOc1ccccc1CNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000126274008 1415400076 /nfs/dbraw/zinc/40/00/76/1415400076.db2.gz VNRYUYZKTOOTOA-UHFFFAOYSA-N 1 0 394.519 3.003 20 10 GGCDRO Cn1cnc2cc(C(=O)Nc3cccc(N4CC[NH+](CC5CC5)CC4)c3)ccc21 ZINC000126911152 1415604755 /nfs/dbraw/zinc/60/47/55/1415604755.db2.gz FYXDMFDJJGCVMN-UHFFFAOYSA-N 1 0 389.503 3.358 20 10 GGCDRO COc1ccc(S(=O)(=O)Nc2cccc(N3CC[NH+](C(C)C)CC3)c2)cc1 ZINC000126927234 1415611613 /nfs/dbraw/zinc/61/16/13/1415611613.db2.gz MTUROMHWWSEVNL-UHFFFAOYSA-N 1 0 389.521 3.026 20 10 GGCDRO COc1ccccc1S(=O)(=O)[N-]c1cccc(N2CC[NH+](C(C)C)CC2)c1 ZINC000126973354 1415621871 /nfs/dbraw/zinc/62/18/71/1415621871.db2.gz AAYZPGASEXYIKA-UHFFFAOYSA-N 1 0 389.521 3.026 20 10 GGCDRO CCS(=O)(=O)N(C)CCC[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000178070916 1428968558 /nfs/dbraw/zinc/96/85/58/1428968558.db2.gz IEENGSFAMNYMKW-INIZCTEOSA-N 1 0 385.549 3.138 20 10 GGCDRO CCS(=O)(=O)N(C)CCC[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000178070929 1428968689 /nfs/dbraw/zinc/96/86/89/1428968689.db2.gz IEENGSFAMNYMKW-MRXNPFEDSA-N 1 0 385.549 3.138 20 10 GGCDRO C[C@H]([NH2+][C@@H]1CCN(C(=O)C2CCCC2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000127061255 1415650759 /nfs/dbraw/zinc/65/07/59/1415650759.db2.gz WXTBBGSPKRGGLF-QFBILLFUSA-N 1 0 389.515 3.104 20 10 GGCDRO Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000127218750 1415691302 /nfs/dbraw/zinc/69/13/02/1415691302.db2.gz LLYFCAMSCUWIQL-QGZVFWFLSA-N 1 0 385.483 3.430 20 10 GGCDRO C[NH+](C)[C@H](CNC(=O)NCc1ccc(N2CC=CC2)cc1)c1ccc(F)cc1 ZINC000127246168 1415701853 /nfs/dbraw/zinc/70/18/53/1415701853.db2.gz KWKBDHGRXNKMIK-OAQYLSRUSA-N 1 0 382.483 3.304 20 10 GGCDRO Fc1cc(CN2CCC[N@H+](Cc3ccccc3)CC2)ccc1N1CCOCC1 ZINC000127316404 1415734597 /nfs/dbraw/zinc/73/45/97/1415734597.db2.gz YJIPRCVDECLTIO-UHFFFAOYSA-N 1 0 383.511 3.370 20 10 GGCDRO O=C(C[NH2+][C@H](c1ccccc1)C1CC1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000128022294 1415894829 /nfs/dbraw/zinc/89/48/29/1415894829.db2.gz OJSXAICTCOUVNQ-HSZRJFAPSA-N 1 0 397.494 3.019 20 10 GGCDRO C[C@H]([NH2+]CCc1ccc(S(N)(=O)=O)cc1)c1ccc(N2CCCCC2)cc1 ZINC000128070502 1415905497 /nfs/dbraw/zinc/90/54/97/1415905497.db2.gz SPFVJRKIFRPMHP-KRWDZBQOSA-N 1 0 387.549 3.218 20 10 GGCDRO CCN(CCC[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1)S(C)(=O)=O ZINC000128280061 1415953622 /nfs/dbraw/zinc/95/36/22/1415953622.db2.gz RUTDBODVQQFIOP-MRXNPFEDSA-N 1 0 385.549 3.138 20 10 GGCDRO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000128451802 1415990481 /nfs/dbraw/zinc/99/04/81/1415990481.db2.gz MXHLMRWHLOUMDY-KRWDZBQOSA-N 1 0 393.503 3.104 20 10 GGCDRO C[C@@H]([NH2+]CCC(=O)NC1CCCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000128773791 1416065306 /nfs/dbraw/zinc/06/53/06/1416065306.db2.gz GHARUYFSNILNCD-MRXNPFEDSA-N 1 0 377.504 3.152 20 10 GGCDRO CN1CCCc2cc(CNC(=O)N3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)ccc21 ZINC000128777130 1416065525 /nfs/dbraw/zinc/06/55/25/1416065525.db2.gz NHYZMSGAYCERRX-DENIHFKCSA-N 1 0 382.552 3.227 20 10 GGCDRO CN1CCCc2cc(CNC(=O)N3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)ccc21 ZINC000128777333 1416065612 /nfs/dbraw/zinc/06/56/12/1416065612.db2.gz NHYZMSGAYCERRX-KNQAVFIVSA-N 1 0 382.552 3.227 20 10 GGCDRO O=C(c1ccccc1F)N1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000128934344 1416107256 /nfs/dbraw/zinc/10/72/56/1416107256.db2.gz FSGRCSJJZUQNPM-UHFFFAOYSA-N 1 0 397.494 3.010 20 10 GGCDRO CN(C)c1ccc(CN(C)C(=O)C[N@H+](CCCO)[C@H]2CCc3ccccc32)cc1 ZINC000178393001 1429068253 /nfs/dbraw/zinc/06/82/53/1429068253.db2.gz YAYDZHMTFSWEIR-QHCPKHFHSA-N 1 0 395.547 3.083 20 10 GGCDRO CC(C)([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)C(=O)NCC1CCCCC1 ZINC000129509276 1416220694 /nfs/dbraw/zinc/22/06/94/1416220694.db2.gz WUARBYCSHONLCS-UHFFFAOYSA-N 1 0 391.531 3.227 20 10 GGCDRO O=C(NCCCSc1nccs1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000130124006 1416322721 /nfs/dbraw/zinc/32/27/21/1416322721.db2.gz FJZQZMUTTZWWJQ-HOCLYGCPSA-N 1 0 380.583 3.284 20 10 GGCDRO COc1cccc(C[NH2+]Cc2ccc(N(C)C(=O)c3ccncc3)cc2)c1O ZINC000130420652 1416374925 /nfs/dbraw/zinc/37/49/25/1416374925.db2.gz YXROLFPXJJIHOV-UHFFFAOYSA-N 1 0 377.444 3.362 20 10 GGCDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2ccc(N3CCSCC3)cc2)C1 ZINC000130842731 1416464627 /nfs/dbraw/zinc/46/46/27/1416464627.db2.gz QPLDDBANNYHUPB-QGZVFWFLSA-N 1 0 377.554 3.339 20 10 GGCDRO Oc1cccc(Cl)c1C[NH2+]C[C@@H](O)COc1ccccc1Br ZINC000131007048 1416495207 /nfs/dbraw/zinc/49/52/07/1416495207.db2.gz AWFMQAYISUYJCG-LLVKDONJSA-N 1 0 386.673 3.338 20 10 GGCDRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000131416445 1416554379 /nfs/dbraw/zinc/55/43/79/1416554379.db2.gz CDDWQYRMNDYMTM-RTBURBONSA-N 1 0 389.540 3.449 20 10 GGCDRO Cc1cc(C(=O)N2CC[C@@H](C[NH3+])C2)c(C)n1-c1ccccc1Br ZINC000178560220 1429106989 /nfs/dbraw/zinc/10/69/89/1429106989.db2.gz YFDMMBWHOKPUAB-AWEZNQCLSA-N 1 0 376.298 3.277 20 10 GGCDRO COc1ccc(N2CCC([NH2+]C3CCN(C(=O)c4ccoc4)CC3)CC2)cc1 ZINC000132081934 1416690982 /nfs/dbraw/zinc/69/09/82/1416690982.db2.gz VNBWNZLYVRTJGU-UHFFFAOYSA-N 1 0 383.492 3.151 20 10 GGCDRO C[C@@H]([NH2+]CCCSc1nccs1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000132153391 1416708549 /nfs/dbraw/zinc/70/85/49/1416708549.db2.gz HBENJJOIWYVTMG-CYBMUJFWSA-N 1 0 385.580 3.226 20 10 GGCDRO C[C@@H]([NH2+]CCN1CCc2sccc2C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000132908058 1416829913 /nfs/dbraw/zinc/82/99/13/1416829913.db2.gz OEOSCSCAZWAEPT-MRXNPFEDSA-N 1 0 389.540 3.433 20 10 GGCDRO Cn1ccc(N2CCC[C@H]([N@H+](C)Cc3ccc(N4CCCCC4)cc3)C2=O)n1 ZINC000133607261 1416917905 /nfs/dbraw/zinc/91/79/05/1416917905.db2.gz HOOROIPGEAPPBA-FQEVSTJZSA-N 1 0 381.524 3.038 20 10 GGCDRO COc1ccc(N2CCN(CCC[NH2+]Cc3cnc(C4CC4)s3)CC2)cc1 ZINC000133660483 1416933772 /nfs/dbraw/zinc/93/37/72/1416933772.db2.gz WQQBWTPBCAHXQB-UHFFFAOYSA-N 1 0 386.565 3.331 20 10 GGCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)[C@H]1CCCN(c2ccccc2F)C1=O ZINC000133689540 1416941781 /nfs/dbraw/zinc/94/17/81/1416941781.db2.gz BGFZYUSWYXRNCQ-QFIPXVFZSA-N 1 0 397.494 3.290 20 10 GGCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000133708794 1416947893 /nfs/dbraw/zinc/94/78/93/1416947893.db2.gz PWIAJOGLFMSWEW-NRFANRHFSA-N 1 0 399.922 3.414 20 10 GGCDRO C[C@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(N(C)C)cc1 ZINC000133790028 1416964299 /nfs/dbraw/zinc/96/42/99/1416964299.db2.gz JJNKBHLLLPFYME-HOTGVXAUSA-N 1 0 375.538 3.415 20 10 GGCDRO CC(=O)Nc1ccc(OC[C@H](O)C[N@H+](Cc2ccc(N(C)C)cc2)C(C)C)cc1 ZINC000134066949 1417017001 /nfs/dbraw/zinc/01/70/01/1417017001.db2.gz POJJOHGWQQEHJE-JOCHJYFZSA-N 1 0 399.535 3.361 20 10 GGCDRO CCC[N@H+](Cc1ccccc1O)[C@H](C)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000178719974 1429151295 /nfs/dbraw/zinc/15/12/95/1429151295.db2.gz AUQDBXITQWRDQL-GOSISDBHSA-N 1 0 397.519 3.468 20 10 GGCDRO Cc1nc(CC(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)c(C)s1 ZINC000134260689 1417045821 /nfs/dbraw/zinc/04/58/21/1417045821.db2.gz YXZKPWFQFSOICJ-INIZCTEOSA-N 1 0 393.940 3.442 20 10 GGCDRO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1ccncc1Cl ZINC000134263965 1417046196 /nfs/dbraw/zinc/04/61/96/1417046196.db2.gz SVFVPGVPESHUDW-AWEZNQCLSA-N 1 0 380.275 3.488 20 10 GGCDRO CC(C)n1nccc1C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134263325 1417046410 /nfs/dbraw/zinc/04/64/10/1417046410.db2.gz GRZQEZNSXAQGMJ-MRXNPFEDSA-N 1 0 376.888 3.217 20 10 GGCDRO O=C(CC[C@@H]1CCCCO1)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134262530 1417046428 /nfs/dbraw/zinc/04/64/28/1417046428.db2.gz IHZWKYTVIGDDIY-ROUUACIJSA-N 1 0 380.916 3.476 20 10 GGCDRO COc1ccc(O)c(CNC(=O)NC2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000135586869 1417241083 /nfs/dbraw/zinc/24/10/83/1417241083.db2.gz TULCNPNGZAVKGH-IRXDYDNUSA-N 1 0 397.519 3.357 20 10 GGCDRO O[C@@H](C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1ccc(Cl)c(F)c1 ZINC000136136978 1417294632 /nfs/dbraw/zinc/29/46/32/1417294632.db2.gz VPXNUIMQMRKOBI-IBGZPJMESA-N 1 0 382.838 3.278 20 10 GGCDRO Cc1cc(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)c(C)n1-c1ccccc1 ZINC000136895666 1417353273 /nfs/dbraw/zinc/35/32/73/1417353273.db2.gz CFXBRRWUDRZXKP-IBGZPJMESA-N 1 0 381.520 3.325 20 10 GGCDRO Cc1ccc(C)n1-c1ccsc1C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000136963901 1417358147 /nfs/dbraw/zinc/35/81/47/1417358147.db2.gz LTKSUDURPNZSMC-KRWDZBQOSA-N 1 0 387.549 3.386 20 10 GGCDRO CCN(CC)c1ccc(CNC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1F ZINC000139665109 1417468585 /nfs/dbraw/zinc/46/85/85/1417468585.db2.gz UIVJYKQTRSERHM-HKUYNNGSSA-N 1 0 376.520 3.298 20 10 GGCDRO Oc1ccc2cc(Br)ccc2c1C[NH+]1CCN(c2cnccn2)CC1 ZINC000142314645 1417582705 /nfs/dbraw/zinc/58/27/05/1417582705.db2.gz RTDVVFFAESPISK-UHFFFAOYSA-N 1 0 399.292 3.420 20 10 GGCDRO O=C(NCc1ccc(N2CCCC2)cc1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000178874584 1429205393 /nfs/dbraw/zinc/20/53/93/1429205393.db2.gz ZLLWVGZCYKXHBW-SIKLNZKXSA-N 1 0 382.552 3.445 20 10 GGCDRO O=C(/C=C/c1ccc(N2CCOCC2)cc1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000150737871 1417794809 /nfs/dbraw/zinc/79/48/09/1417794809.db2.gz PCINVVAMPSBJGQ-CLNPQZTCSA-N 1 0 383.536 3.013 20 10 GGCDRO COc1cc(CN2CC[NH+](CC3CCOCC3)CC2)c(O)c(C(C)(C)C)c1 ZINC000178890251 1429212539 /nfs/dbraw/zinc/21/25/39/1429212539.db2.gz ABSWCTRUBDTTNN-UHFFFAOYSA-N 1 0 376.541 3.243 20 10 GGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc2c(c1)OCCO2 ZINC000151535592 1418017179 /nfs/dbraw/zinc/01/71/79/1418017179.db2.gz WACQKNBFCVHMRX-OAHLLOKOSA-N 1 0 386.467 3.409 20 10 GGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc([S@@](C)=O)cc1 ZINC000151537968 1418017826 /nfs/dbraw/zinc/01/78/26/1418017826.db2.gz MLDXIWFHIGZZCN-RXAIFQJESA-N 1 0 390.524 3.375 20 10 GGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc([S@](C)=O)cc1 ZINC000151537817 1418018042 /nfs/dbraw/zinc/01/80/42/1418018042.db2.gz MLDXIWFHIGZZCN-YVORESIASA-N 1 0 390.524 3.375 20 10 GGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(-n2cncn2)cc1 ZINC000151549577 1418021299 /nfs/dbraw/zinc/02/12/99/1418021299.db2.gz TZIPMORDXWVTMZ-MRXNPFEDSA-N 1 0 395.482 3.218 20 10 GGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)c1ccc([S@](C)=O)cc1 ZINC000151581532 1418031678 /nfs/dbraw/zinc/03/16/78/1418031678.db2.gz RBHMIEXTASDTBH-XGCWNURASA-N 1 0 386.561 3.484 20 10 GGCDRO COc1ccc(O)c([C@H](C)NC(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)c1 ZINC000152012713 1418120620 /nfs/dbraw/zinc/12/06/20/1418120620.db2.gz AEDDAPOFRWDEDB-HOTGVXAUSA-N 1 0 398.507 3.382 20 10 GGCDRO COc1ccc(O)c([C@@H](C)NC(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)c1 ZINC000152012955 1418120730 /nfs/dbraw/zinc/12/07/30/1418120730.db2.gz AEDDAPOFRWDEDB-HZPDHXFCSA-N 1 0 398.507 3.382 20 10 GGCDRO Cc1cc(N(C)C)ccc1CNC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000152142078 1418156087 /nfs/dbraw/zinc/15/60/87/1418156087.db2.gz DBPPRVAXCRPAAG-SFHVURJKSA-N 1 0 395.551 3.481 20 10 GGCDRO CCOC(=O)N1CCC([NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)CC1 ZINC000152165104 1418162692 /nfs/dbraw/zinc/16/26/92/1418162692.db2.gz WYJNENLIMZHOJK-UHFFFAOYSA-N 1 0 397.466 3.467 20 10 GGCDRO Cc1ccc(C)n1-c1ccsc1C(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000152165990 1418162787 /nfs/dbraw/zinc/16/27/87/1418162787.db2.gz HLRSXVVBPDEXOM-QGZVFWFLSA-N 1 0 375.538 3.122 20 10 GGCDRO CN(C)c1ccc(CNC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cc1F ZINC000179430558 1429373224 /nfs/dbraw/zinc/37/32/24/1429373224.db2.gz IXGRWBVPVSDQHH-UHFFFAOYSA-N 1 0 385.487 3.003 20 10 GGCDRO CN(C[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1)C(=O)OC(C)(C)C ZINC000179449943 1429381376 /nfs/dbraw/zinc/38/13/76/1429381376.db2.gz ASXYMUKWUWWQSX-LJQANCHMSA-N 1 0 389.540 3.212 20 10 GGCDRO C[C@H]([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)c1ccc(OC(F)F)cc1 ZINC000179605081 1429466872 /nfs/dbraw/zinc/46/68/72/1429466872.db2.gz WACMNIYSVOTGOZ-AWEZNQCLSA-N 1 0 377.435 3.321 20 10 GGCDRO CC[C@@H](CSC)N(C)C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000179642742 1429486407 /nfs/dbraw/zinc/48/64/07/1429486407.db2.gz RTLRWIPRAMQNJH-KRWDZBQOSA-N 1 0 396.576 3.251 20 10 GGCDRO C[C@@H](c1ccccc1)[N@H+](CC(=O)N(C)Cc1cnn(C)c1)Cc1ccccc1O ZINC000179646461 1429487700 /nfs/dbraw/zinc/48/77/00/1429487700.db2.gz WKSXXZZXMBDPPN-SFHVURJKSA-N 1 0 392.503 3.348 20 10 GGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)cc1OC ZINC000179657063 1429493428 /nfs/dbraw/zinc/49/34/28/1429493428.db2.gz RPQOMOIQIOFDFO-HNNXBMFYSA-N 1 0 386.496 3.107 20 10 GGCDRO COc1cccc([C@H](CNC(=O)NCc2ccc(N3CC=CC3)cc2)[NH+](C)C)c1 ZINC000152945162 1422304254 /nfs/dbraw/zinc/30/42/54/1422304254.db2.gz CNDJCCZGQLKQGK-QFIPXVFZSA-N 1 0 394.519 3.174 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N(C)[C@H](C)CCSC)cc2F)CC1 ZINC000152967773 1422311037 /nfs/dbraw/zinc/31/10/37/1422311037.db2.gz VPELQCQSKVXVHC-MRXNPFEDSA-N 1 0 396.576 3.251 20 10 GGCDRO COc1ccc2c(C[N@H+](C)Cc3ccc(N4CCOCC4)cc3)cc(=O)oc2c1 ZINC000153032314 1422333740 /nfs/dbraw/zinc/33/37/40/1422333740.db2.gz ZDJHTHKZLIRNQP-UHFFFAOYSA-N 1 0 394.471 3.270 20 10 GGCDRO C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000153332154 1422474526 /nfs/dbraw/zinc/47/45/26/1422474526.db2.gz ZPQGJACPYCEAPH-HNNXBMFYSA-N 1 0 389.446 3.260 20 10 GGCDRO C[C@H](C(=O)Nc1cc(F)ccc1F)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000153332949 1422475528 /nfs/dbraw/zinc/47/55/28/1422475528.db2.gz LVVNPLKAAGJQAU-OAHLLOKOSA-N 1 0 389.446 3.260 20 10 GGCDRO COc1ccc(O)c(C[N@H+](C)C[C@@H](O)COc2ccc(C(F)(F)F)cc2)c1 ZINC000179800667 1429574758 /nfs/dbraw/zinc/57/47/58/1429574758.db2.gz MPRQXVWNAQVBCR-OAHLLOKOSA-N 1 0 385.382 3.291 20 10 GGCDRO O=C(/C=C/c1ccc(N2CCOCC2)cc1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000154028967 1422828423 /nfs/dbraw/zinc/82/84/23/1422828423.db2.gz YYDLJFIVBATOCA-PTNXGOTQSA-N 1 0 395.547 3.012 20 10 GGCDRO CCCCNC(=O)C1([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CCCCC1 ZINC000154638713 1422976713 /nfs/dbraw/zinc/97/67/13/1422976713.db2.gz AOOQCJMRSHYAOH-UHFFFAOYSA-N 1 0 391.531 3.371 20 10 GGCDRO CC(C)(C)OC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000154892018 1423070403 /nfs/dbraw/zinc/07/04/03/1423070403.db2.gz FVUPNTVDNFZTAZ-GOSISDBHSA-N 1 0 375.513 3.012 20 10 GGCDRO CC(C)(C)OC(=O)N[C@@H]1CCCN(Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000154894274 1423071157 /nfs/dbraw/zinc/07/11/57/1423071157.db2.gz MNOPSMYKXBIDCM-QGZVFWFLSA-N 1 0 393.503 3.151 20 10 GGCDRO Cc1cc(N2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)nc(C(C)C)n1 ZINC000154977109 1423097487 /nfs/dbraw/zinc/09/74/87/1423097487.db2.gz BDQVVSFQKBKCMM-UHFFFAOYSA-N 1 0 395.551 3.067 20 10 GGCDRO CN(C)c1ccc(C[N@H+](C)Cc2ccccc2OCC(=O)N2CCCC2)cc1 ZINC000155180984 1423217422 /nfs/dbraw/zinc/21/74/22/1423217422.db2.gz FNYCUKDEMQCCRY-UHFFFAOYSA-N 1 0 381.520 3.386 20 10 GGCDRO C[C@H]([NH2+]CCCN(C)CC(F)(F)F)c1ccc(N2CCOCC2)c(F)c1 ZINC000156368089 1423800085 /nfs/dbraw/zinc/80/00/85/1423800085.db2.gz QFXQHGBYYJMINI-AWEZNQCLSA-N 1 0 377.426 3.197 20 10 GGCDRO CCC[N@H+](Cc1ccccc1O)[C@H](C)C(=O)NCc1ccc(C(=O)OC)cc1 ZINC000157067392 1423915697 /nfs/dbraw/zinc/91/56/97/1423915697.db2.gz HUZOUBNTISHAOH-MRXNPFEDSA-N 1 0 384.476 3.096 20 10 GGCDRO COc1ccc(N2CCC([NH2+]Cc3ccc(N4CCO[C@H](C)C4)nc3)CC2)cc1 ZINC000157731227 1424075861 /nfs/dbraw/zinc/07/58/61/1424075861.db2.gz KCHAZNWILQQQFI-GOSISDBHSA-N 1 0 396.535 3.074 20 10 GGCDRO CCN(CC)C(=O)C[C@@H](C)[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000157750449 1424080338 /nfs/dbraw/zinc/08/03/38/1424080338.db2.gz XGUWEPCVWLNURH-OAHLLOKOSA-N 1 0 383.483 3.493 20 10 GGCDRO CC[C@H]([NH2+]C1CCN(S(=O)(=O)CC(C)C)CC1)c1ccc(N(C)C)cc1 ZINC000180021937 1429698659 /nfs/dbraw/zinc/69/86/59/1429698659.db2.gz OZJNPEBWBKKYIP-FQEVSTJZSA-N 1 0 381.586 3.244 20 10 GGCDRO CCCC[NH+]1CCC(NC(=O)NCc2ccc(N3CCSCC3)cc2)CC1 ZINC000158684931 1424319760 /nfs/dbraw/zinc/31/97/60/1424319760.db2.gz FNBWDMMAGUXVBU-UHFFFAOYSA-N 1 0 390.597 3.304 20 10 GGCDRO C[C@H]1Oc2ccc(C(=O)C3CC[NH+](Cc4cc(F)ccc4O)CC3)cc2NC1=O ZINC000180063273 1429720418 /nfs/dbraw/zinc/72/04/18/1429720418.db2.gz FZVXZLSQWDPKLD-CYBMUJFWSA-N 1 0 398.434 3.346 20 10 GGCDRO CCc1nn(C)cc1C[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000180085515 1429730750 /nfs/dbraw/zinc/73/07/50/1429730750.db2.gz CIGGIQIYXAXEEC-UHFFFAOYSA-N 1 0 382.430 3.128 20 10 GGCDRO COc1cc(O)c(C[N@H+](Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)cc1OC ZINC000159719494 1424528364 /nfs/dbraw/zinc/52/83/64/1424528364.db2.gz KLDXGJMNORWREV-UHFFFAOYSA-N 1 0 396.487 3.466 20 10 GGCDRO COc1cc(O)c(C[NH+]2CCC(NC(=O)c3cc(C)oc3C)CC2)cc1OC ZINC000160118588 1424576553 /nfs/dbraw/zinc/57/65/53/1424576553.db2.gz KVEJCOKQCTUIMD-UHFFFAOYSA-N 1 0 388.464 3.014 20 10 GGCDRO Cn1cc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)c(-c2cccnc2)n1 ZINC000160178779 1424583800 /nfs/dbraw/zinc/58/38/00/1424583800.db2.gz ITLNKKIDUUHYPV-FQEVSTJZSA-N 1 0 378.476 3.369 20 10 GGCDRO C[C@H]([NH2+]C1CCN(CC(=O)N(C)C)CC1)c1ccc(N2CCCCCC2)cc1 ZINC000160401093 1424600960 /nfs/dbraw/zinc/60/09/60/1424600960.db2.gz VAJRIHOIWYAODB-IBGZPJMESA-N 1 0 386.584 3.270 20 10 GGCDRO CCC[C@@H]1C[C@@H](C(=O)NCc2ccc(N3CC[NH+](CC)CC3)c(F)c2)CCO1 ZINC000180103557 1429738932 /nfs/dbraw/zinc/73/89/32/1429738932.db2.gz PZMBMNSISKIILB-RBUKOAKNSA-N 1 0 391.531 3.179 20 10 GGCDRO COc1ccc(N2CCC([NH2+]Cc3ccccc3CN3CCOCC3)CC2)cc1 ZINC000160463965 1424605525 /nfs/dbraw/zinc/60/55/25/1424605525.db2.gz GVGYXENXVYCGLR-UHFFFAOYSA-N 1 0 395.547 3.286 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C[C@H](C)c3ccncc3)cc2F)CC1 ZINC000160469738 1424606732 /nfs/dbraw/zinc/60/67/32/1424606732.db2.gz YAPGGXFUBGGKBF-KRWDZBQOSA-N 1 0 384.499 3.173 20 10 GGCDRO COc1ccc(N2CCC([NH2+]CCCc3nnc4n3CCCCC4)CC2)cc1 ZINC000161155411 1424662715 /nfs/dbraw/zinc/66/27/15/1424662715.db2.gz LJVQVBMSVONIIN-UHFFFAOYSA-N 1 0 383.540 3.204 20 10 GGCDRO CC(=O)NC1CCC([NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1 ZINC000161584873 1424718070 /nfs/dbraw/zinc/71/80/70/1424718070.db2.gz MRXMPMUPCMXUCS-JCYILVPMSA-N 1 0 381.467 3.294 20 10 GGCDRO C[C@H](C(=O)N(C)Cc1ccccc1)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000161780041 1424762783 /nfs/dbraw/zinc/76/27/83/1424762783.db2.gz OYOLDCGWFHSOEE-LJQANCHMSA-N 1 0 381.520 3.002 20 10 GGCDRO C[C@@H](C(=O)N(C)Cc1ccccc1)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000161779932 1424763171 /nfs/dbraw/zinc/76/31/71/1424763171.db2.gz OYOLDCGWFHSOEE-IBGZPJMESA-N 1 0 381.520 3.002 20 10 GGCDRO C[C@@H](NC(=O)[C@H](C)[N@H+](C)Cc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1 ZINC000161817116 1424771522 /nfs/dbraw/zinc/77/15/22/1424771522.db2.gz VXVOVYHANPBWLF-MSOLQXFVSA-N 1 0 399.510 3.360 20 10 GGCDRO C[C@H](C(=O)NC[C@@H](C)c1ccccc1)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000161845497 1424777727 /nfs/dbraw/zinc/77/77/27/1424777727.db2.gz MTLXEKXAHYRKOB-WOJBJXKFSA-N 1 0 395.547 3.263 20 10 GGCDRO C[C@@H](CNC(=O)[C@@H](C)[N@H+](C)Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000161845369 1424777836 /nfs/dbraw/zinc/77/78/36/1424777836.db2.gz MTLXEKXAHYRKOB-VQTJNVASSA-N 1 0 395.547 3.263 20 10 GGCDRO C[C@H](CNC(=O)[C@H](C)[N@H+](C)Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000161845768 1424778079 /nfs/dbraw/zinc/77/80/79/1424778079.db2.gz MTLXEKXAHYRKOB-UXHICEINSA-N 1 0 395.547 3.263 20 10 GGCDRO C[C@H]([NH2+]Cc1ccccc1OCCN1CCOCC1)c1ccc(N(C)C)cc1 ZINC000162018630 1424809054 /nfs/dbraw/zinc/80/90/54/1424809054.db2.gz TVRJHWZIFICQPM-IBGZPJMESA-N 1 0 383.536 3.314 20 10 GGCDRO C[C@@H]1CN(c2ccc(CNC(=O)C[NH2+][C@@H]3CCCC[C@H]3C)cc2F)C[C@H](C)O1 ZINC000162319761 1424837322 /nfs/dbraw/zinc/83/73/22/1424837322.db2.gz WFNZCGVNTVDVSD-PDOICOKGSA-N 1 0 391.531 3.224 20 10 GGCDRO COc1ccc(N2CCN(CCC[NH2+][C@@H](C)CC3CCOCC3)CC2)cc1 ZINC000162835728 1424894605 /nfs/dbraw/zinc/89/46/05/1424894605.db2.gz UEKRPHBKVHXNAR-IBGZPJMESA-N 1 0 375.557 3.002 20 10 GGCDRO CC[S@](=O)[C@H]1CCC[C@H]([NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)C1 ZINC000163005416 1424922065 /nfs/dbraw/zinc/92/20/65/1424922065.db2.gz MENQJRPFKRZUDK-VKSDMFTRSA-N 1 0 382.545 3.393 20 10 GGCDRO C[C@H]([NH2+]Cc1cccc(CN2CCOCC2)c1)c1ccc(N2CCOCC2)cc1 ZINC000163680069 1425033083 /nfs/dbraw/zinc/03/30/83/1425033083.db2.gz AJWPBCSCTBIDCF-FQEVSTJZSA-N 1 0 395.547 3.206 20 10 GGCDRO COc1cc(C)cc(C[NH+]2CCC(NC(=O)NC3CCCCC3)CC2)c1O ZINC000164212767 1425088330 /nfs/dbraw/zinc/08/83/30/1425088330.db2.gz WVPPSKYAEQOAGH-UHFFFAOYSA-N 1 0 375.513 3.306 20 10 GGCDRO COc1cc(C)cc(C[NH+]2CCC(C(=O)NCCc3cccs3)CC2)c1O ZINC000164221425 1425089168 /nfs/dbraw/zinc/08/91/68/1425089168.db2.gz YDDJXDWGTFSVNU-UHFFFAOYSA-N 1 0 388.533 3.342 20 10 GGCDRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(N2CCOCC2)cc1 ZINC000164496287 1425117914 /nfs/dbraw/zinc/11/79/14/1425117914.db2.gz AYCYOISVNYILMZ-SJLPKXTDSA-N 1 0 375.513 3.183 20 10 GGCDRO COc1cc(O)c(C[NH+]2CCC([C@H](O)c3ccc(F)cc3)CC2)cc1OC ZINC000180169357 1429778263 /nfs/dbraw/zinc/77/82/63/1429778263.db2.gz BZSMNUHOTINAMR-OAQYLSRUSA-N 1 0 375.440 3.494 20 10 GGCDRO C[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000164574294 1425125285 /nfs/dbraw/zinc/12/52/85/1425125285.db2.gz GKTPWBRPNDHBLK-RDJZCZTQSA-N 1 0 393.503 3.322 20 10 GGCDRO COc1cccc2c1OC[C@H]([NH2+][C@@H](C)c1ccc(N3CCOCC3)c(F)c1)C2 ZINC000164577126 1425125404 /nfs/dbraw/zinc/12/54/04/1425125404.db2.gz NQDXOPQVNBLHEZ-MAUKXSAKSA-N 1 0 386.467 3.325 20 10 GGCDRO O=C(NCc1ccc(N2CCSCC2)cc1)C1(c2ccccc2)CC[NH2+]CC1 ZINC000165422589 1425178251 /nfs/dbraw/zinc/17/82/51/1425178251.db2.gz HRPMBGICRXPWLD-UHFFFAOYSA-N 1 0 395.572 3.177 20 10 GGCDRO FC(F)(F)c1cc(N2CCOCC2)ccc1CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166212127 1425208441 /nfs/dbraw/zinc/20/84/41/1425208441.db2.gz YAUABYMPXFSRCZ-DLBZAZTESA-N 1 0 383.458 3.258 20 10 GGCDRO CC[C@H]([NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1)c1ccc(N(C)C)cc1 ZINC000168080143 1425234707 /nfs/dbraw/zinc/23/47/07/1425234707.db2.gz NXAXCFICYOZGBG-INIZCTEOSA-N 1 0 393.475 3.107 20 10 GGCDRO C[C@H]([NH2+][C@H]1CCN(c2ncccc2F)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000168225682 1425237347 /nfs/dbraw/zinc/23/73/47/1425237347.db2.gz HBIWEVINODNYJO-RDJZCZTQSA-N 1 0 388.462 3.126 20 10 GGCDRO COc1ccc(O)c([C@H](C)NC(=O)c2ccc(N3CC[NH+](C(C)C)CC3)cc2)c1 ZINC000170900600 1425385912 /nfs/dbraw/zinc/38/59/12/1425385912.db2.gz UGNOYUBHINLYIF-KRWDZBQOSA-N 1 0 397.519 3.422 20 10 GGCDRO COCCC[NH+]1CCC(NC(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)CC1 ZINC000171137976 1425501409 /nfs/dbraw/zinc/50/14/09/1425501409.db2.gz VQGNLOBNUITAQA-UHFFFAOYSA-N 1 0 399.535 3.333 20 10 GGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000171379773 1425650916 /nfs/dbraw/zinc/65/09/16/1425650916.db2.gz ZTJDQUDHWHPPRH-QGZVFWFLSA-N 1 0 399.560 3.460 20 10 GGCDRO O=C(NCc1ccc(N2CCSCC2)cc1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000171636150 1425768240 /nfs/dbraw/zinc/76/82/40/1425768240.db2.gz VRYUJRPMUZMLAO-HXUWFJFHSA-N 1 0 388.581 3.010 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CCn4cccc4[C@@H]3C)cc2F)CC1 ZINC000171751376 1425810717 /nfs/dbraw/zinc/81/07/17/1425810717.db2.gz CUVBHVQKFFGNMF-KRWDZBQOSA-N 1 0 399.514 3.056 20 10 GGCDRO Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000172386851 1426023466 /nfs/dbraw/zinc/02/34/66/1426023466.db2.gz IWKKBVKLNVDWIK-UHFFFAOYSA-N 1 0 387.549 3.340 20 10 GGCDRO COc1cccc(CNC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)c1O ZINC000173747087 1426838224 /nfs/dbraw/zinc/83/82/24/1426838224.db2.gz KLGWRJNXNCCILD-UHFFFAOYSA-N 1 0 383.492 3.173 20 10 GGCDRO Cc1ccc(N2CC[C@H]([NH2+][C@@H](C)c3ccc(N4CCOCC4)cc3)C2=O)cc1 ZINC000174008100 1426940557 /nfs/dbraw/zinc/94/05/57/1426940557.db2.gz IIQMTMSRRNWXLI-AVRDEDQJSA-N 1 0 379.504 3.288 20 10 GGCDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000174033033 1426956382 /nfs/dbraw/zinc/95/63/82/1426956382.db2.gz JODHPLNZWSIYSE-LJQANCHMSA-N 1 0 390.597 3.256 20 10 GGCDRO Cc1cc(O)c(C[NH2+]Cc2ccc(S(=O)(=O)N(C)C(C)C)cc2)cc1C ZINC000174304851 1427093570 /nfs/dbraw/zinc/09/35/70/1427093570.db2.gz BOZWMEISRQSHJZ-UHFFFAOYSA-N 1 0 376.522 3.328 20 10 GGCDRO CC(C)[NH+](CCCNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)C(C)C ZINC000174354050 1427116695 /nfs/dbraw/zinc/11/66/95/1427116695.db2.gz BUUZVOQLRGCIOV-UHFFFAOYSA-N 1 0 390.572 3.174 20 10 GGCDRO COCC[NH+]1CCC(NC(=O)N(Cc2ccccc2O)C2CCCCC2)CC1 ZINC000174359730 1427119122 /nfs/dbraw/zinc/11/91/22/1427119122.db2.gz DDCIXPPSCFMZKB-UHFFFAOYSA-N 1 0 389.540 3.347 20 10 GGCDRO CC[N@H+](Cc1cc(Br)ccc1O)[C@H](C)C(=O)Nc1cc(C)no1 ZINC000174424582 1427151608 /nfs/dbraw/zinc/15/16/08/1427151608.db2.gz YZMROCNJKYXUAC-LLVKDONJSA-N 1 0 382.258 3.300 20 10 GGCDRO COc1cc(Br)cc(C[NH2+]C[C@@](C)(O)c2cc(C)oc2C)c1O ZINC000174441959 1427157362 /nfs/dbraw/zinc/15/73/62/1427157362.db2.gz NRDWTRCXFLLVOV-QGZVFWFLSA-N 1 0 384.270 3.370 20 10 GGCDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)NC2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000174607013 1427257849 /nfs/dbraw/zinc/25/78/49/1427257849.db2.gz LWSHVHSJXKXOAZ-GOSISDBHSA-N 1 0 388.556 3.037 20 10 GGCDRO CNC(=O)c1ccc(C[NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1 ZINC000174621334 1427268451 /nfs/dbraw/zinc/26/84/51/1427268451.db2.gz YGYBHWBTAUFYKS-QGZVFWFLSA-N 1 0 389.446 3.406 20 10 GGCDRO CC(C)[NH+]1CCC(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)CC1 ZINC000174676241 1427303301 /nfs/dbraw/zinc/30/33/01/1427303301.db2.gz BKMMPYXUNMMYPV-JOCHJYFZSA-N 1 0 387.568 3.381 20 10 GGCDRO C[C@H](CNC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[N@H+](C)C1CC1 ZINC000174736254 1427339917 /nfs/dbraw/zinc/33/99/17/1427339917.db2.gz JKLAODGDYISMEW-HUUCEWRRSA-N 1 0 396.482 3.039 20 10 GGCDRO CC[C@@H]1CN(C(=O)NCc2ccc(N3CC[NH+](CC)CC3)c(F)c2)CCS1 ZINC000174786398 1427366721 /nfs/dbraw/zinc/36/67/21/1427366721.db2.gz CFYFDLJJUMKPLY-QGZVFWFLSA-N 1 0 394.560 3.005 20 10 GGCDRO CC[C@H]1CN(C(=O)NCc2ccc(N3CC[NH+](CC)CC3)c(F)c2)CCS1 ZINC000174786406 1427366991 /nfs/dbraw/zinc/36/69/91/1427366991.db2.gz CFYFDLJJUMKPLY-KRWDZBQOSA-N 1 0 394.560 3.005 20 10 GGCDRO C[C@@H](CNC(=O)N(Cc1ccccc1O)C1CCCCC1)CN1CCOCC1 ZINC000175182339 1427586537 /nfs/dbraw/zinc/58/65/37/1427586537.db2.gz MJKKHELTGAGICJ-SFHVURJKSA-N 1 0 389.540 3.205 20 10 GGCDRO COc1ccc(O)c(CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000175538093 1427808340 /nfs/dbraw/zinc/80/83/40/1427808340.db2.gz JSBVGWUPNVIDAU-QFBILLFUSA-N 1 0 383.492 3.253 20 10 GGCDRO COc1ccc(O)c(CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000175538079 1427808412 /nfs/dbraw/zinc/80/84/12/1427808412.db2.gz JSBVGWUPNVIDAU-VQIMIIECSA-N 1 0 383.492 3.253 20 10 GGCDRO CCC[N@@H+]1CC[C@H](CNC(=O)N(CC)Cc2cc(Br)ccc2O)C1 ZINC000175556410 1427814034 /nfs/dbraw/zinc/81/40/34/1427814034.db2.gz QDVLHDQYTJWCDD-CQSZACIVSA-N 1 0 398.345 3.418 20 10 GGCDRO COc1cccc(CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1O ZINC000175632732 1427838196 /nfs/dbraw/zinc/83/81/96/1427838196.db2.gz JGOPTEADMAMKHI-APWZRJJASA-N 1 0 383.492 3.253 20 10 GGCDRO CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)c1O ZINC000175640248 1427841099 /nfs/dbraw/zinc/84/10/99/1427841099.db2.gz HAAXPYWBRQJMDD-AWEZNQCLSA-N 1 0 380.460 3.423 20 10 GGCDRO COc1ccc(O)c([C@@H](C)NC(=O)NCC[N@H+](C)Cc2ccc(F)cc2)c1 ZINC000175940670 1427985645 /nfs/dbraw/zinc/98/56/45/1427985645.db2.gz QSJQBUOMDSLGOP-CQSZACIVSA-N 1 0 375.444 3.032 20 10 GGCDRO CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cc(C[NH+](C)C)ccc2C)cc1 ZINC000176060686 1428059151 /nfs/dbraw/zinc/05/91/51/1428059151.db2.gz FERSVHJDFQXPNE-UHFFFAOYSA-N 1 0 396.535 3.158 20 10 GGCDRO CO[C@H](C)c1noc(CN2CCC[N@H+](Cc3c(O)ccc4ccccc43)CC2)n1 ZINC000176183921 1428147399 /nfs/dbraw/zinc/14/73/99/1428147399.db2.gz JMLIMVQIVRTNBW-MRXNPFEDSA-N 1 0 396.491 3.344 20 10 GGCDRO COc1cc(CN2CC[NH+](Cc3cccc(C)c3O)CC2)cc(OC)c1OC ZINC000180533265 1429892133 /nfs/dbraw/zinc/89/21/33/1429892133.db2.gz GOXAAPWNCAAXIJ-UHFFFAOYSA-N 1 0 386.492 3.044 20 10 GGCDRO COc1ccccc1[C@@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)[NH+]1CCCC1 ZINC000180597615 1429922581 /nfs/dbraw/zinc/92/25/81/1429922581.db2.gz GORFGVTYKSRVMI-SXAWMYDMSA-N 1 0 382.460 3.073 20 10 GGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)cc1 ZINC000180800665 1430048504 /nfs/dbraw/zinc/04/85/04/1430048504.db2.gz GXXXTUVHOOWGMJ-AWEZNQCLSA-N 1 0 389.512 3.058 20 10 GGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)cc1 ZINC000180800644 1430048538 /nfs/dbraw/zinc/04/85/38/1430048538.db2.gz GXXXTUVHOOWGMJ-CQSZACIVSA-N 1 0 389.512 3.058 20 10 GGCDRO COc1ccc([C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2)[NH+]2CCCC2)cc1 ZINC000180884529 1430088797 /nfs/dbraw/zinc/08/87/97/1430088797.db2.gz FKZBDTUXGPAZJM-RXERPNITSA-N 1 0 382.460 3.073 20 10 GGCDRO C[NH+]1CCC2(CC1)C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1ccccc1O2 ZINC000180925460 1430118366 /nfs/dbraw/zinc/11/83/66/1430118366.db2.gz FXXPSLGJHYYUMT-KOEDOTQGSA-N 1 0 394.471 3.215 20 10 GGCDRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000181017925 1430169604 /nfs/dbraw/zinc/16/96/04/1430169604.db2.gz QWIODYBZOYGONY-ZRDIBKRKSA-N 1 0 394.475 3.441 20 10 GGCDRO Cc1ccc(N2CC[C@H]([NH2+][C@H](C)c3ccc(N4CCOCC4)c(F)c3)C2=O)cc1 ZINC000181145126 1430225777 /nfs/dbraw/zinc/22/57/77/1430225777.db2.gz QRAZERDNBZBGNY-UTKZUKDTSA-N 1 0 397.494 3.427 20 10 GGCDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc(N2CCCCC2)cc1 ZINC000181177053 1430238483 /nfs/dbraw/zinc/23/84/83/1430238483.db2.gz QNPBIYKNFZKUEN-YLJYHZDGSA-N 1 0 381.524 3.257 20 10 GGCDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc(N2CCCCC2)c(F)c1 ZINC000181177715 1430238979 /nfs/dbraw/zinc/23/89/79/1430238979.db2.gz WBPAGZYFLOKWBU-QFBILLFUSA-N 1 0 399.514 3.396 20 10 GGCDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc(N2CCCCC2)c(F)c1 ZINC000181177734 1430239029 /nfs/dbraw/zinc/23/90/29/1430239029.db2.gz WBPAGZYFLOKWBU-VQIMIIECSA-N 1 0 399.514 3.396 20 10 GGCDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000181263930 1430258735 /nfs/dbraw/zinc/25/87/35/1430258735.db2.gz ALPCMFREFCPODU-BEBFYNPSSA-N 1 0 396.487 3.330 20 10 GGCDRO C[C@@H]([NH2+]C1CCN(S(=O)(=O)C2CC2)CC1)c1ccc(N2CCCCC2)cc1 ZINC000181270877 1430260148 /nfs/dbraw/zinc/26/01/48/1430260148.db2.gz RZLTYVQEGBEPEG-QGZVFWFLSA-N 1 0 391.581 3.284 20 10 GGCDRO COCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccc(N3CCCCC3)c(F)c1)CC2 ZINC000181297814 1430266310 /nfs/dbraw/zinc/26/63/10/1430266310.db2.gz SCOBOROGPAMZBK-DOTOQJQBSA-N 1 0 387.503 3.220 20 10 GGCDRO COCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccc(N3CCCCCC3)cc1)CC2 ZINC000181301440 1430267191 /nfs/dbraw/zinc/26/71/91/1430267191.db2.gz KEUSDXPHEYNCCD-IEBWSBKVSA-N 1 0 383.540 3.471 20 10 GGCDRO C[C@H]([NH2+]CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)c1ccccc1 ZINC000181345307 1430278360 /nfs/dbraw/zinc/27/83/60/1430278360.db2.gz PTTPRFDAGWRCQH-KURKYZTESA-N 1 0 399.510 3.406 20 10 GGCDRO COCCc1nc(C)c([C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)s1 ZINC000181384617 1430285598 /nfs/dbraw/zinc/28/55/98/1430285598.db2.gz APJDNIAPVBRWPA-CQSZACIVSA-N 1 0 393.528 3.467 20 10 GGCDRO COc1ccc(N2CCN(CCC[NH2+][C@@H]3[C@@H]4CCCO[C@@H]4C3(C)C)CC2)cc1 ZINC000181419305 1430293662 /nfs/dbraw/zinc/29/36/62/1430293662.db2.gz LLPXJLHNKZJYPL-BDTNDASRSA-N 1 0 387.568 3.001 20 10 GGCDRO COc1ccc(N2CCN(CCC[NH2+][C@@H]3[C@H]4CCCO[C@@H]4C3(C)C)CC2)cc1 ZINC000181419268 1430293699 /nfs/dbraw/zinc/29/36/99/1430293699.db2.gz LLPXJLHNKZJYPL-VSKRKVRLSA-N 1 0 387.568 3.001 20 10 GGCDRO CCN(CC)C(=O)CCC1CC[NH+](Cc2cc(OC)c(OC)cc2O)CC1 ZINC000181423952 1430295041 /nfs/dbraw/zinc/29/50/41/1430295041.db2.gz XMCZNSMJVTWVEQ-UHFFFAOYSA-N 1 0 378.513 3.270 20 10 GGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)cc1OC ZINC000181467033 1430305815 /nfs/dbraw/zinc/30/58/15/1430305815.db2.gz DCERXVWIJKYCRS-ZDUSSCGKSA-N 1 0 385.386 3.462 20 10 GGCDRO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181519160 1430313974 /nfs/dbraw/zinc/31/39/74/1430313974.db2.gz ZQSGQZGKUGWFCL-FQEVSTJZSA-N 1 0 399.491 3.457 20 10 GGCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@@H](C)C(C)(C)c1ccccc1)cc2=O ZINC000181781413 1430358665 /nfs/dbraw/zinc/35/86/65/1430358665.db2.gz RWSCNGWDJCWGMG-AWEZNQCLSA-N 1 0 382.464 3.068 20 10 GGCDRO C[C@@H]([NH2+]C[C@@](C)(O)c1ccc(F)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000181794806 1430361901 /nfs/dbraw/zinc/36/19/01/1430361901.db2.gz YQNLZKPDKQKFKX-QVKFZJNVSA-N 1 0 376.447 3.360 20 10 GGCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@@H](CC(C)C)c1ccccc1)cc2=O ZINC000181794525 1430361954 /nfs/dbraw/zinc/36/19/54/1430361954.db2.gz PVQIKJYHMSEDSO-SFHVURJKSA-N 1 0 382.464 3.489 20 10 GGCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@H](CC(C)C)c1ccccc1)cc2=O ZINC000181794546 1430361981 /nfs/dbraw/zinc/36/19/81/1430361981.db2.gz PVQIKJYHMSEDSO-GOSISDBHSA-N 1 0 382.464 3.489 20 10 GGCDRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]Cc2cc(Cl)cc(C(C)=O)c2O)c1 ZINC000181928109 1430384729 /nfs/dbraw/zinc/38/47/29/1430384729.db2.gz PJXYWZFBLDEGLL-NSHDSACASA-N 1 0 396.896 3.007 20 10 GGCDRO C[C@@H]([NH2+]CC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)c1ccccc1 ZINC000182053353 1430402489 /nfs/dbraw/zinc/40/24/89/1430402489.db2.gz PTTPRFDAGWRCQH-OKZBNKHCSA-N 1 0 399.510 3.406 20 10 GGCDRO COc1ccc(O)c(C[NH2+]Cc2cccc(NC(=O)NCc3ccncc3)c2)c1 ZINC000182206346 1430429919 /nfs/dbraw/zinc/42/99/19/1430429919.db2.gz QSCAUMATCKYINC-UHFFFAOYSA-N 1 0 392.459 3.407 20 10 GGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)Nc2cc(C)nn2-c2ccc(C)cc2)c1 ZINC000182328677 1430449342 /nfs/dbraw/zinc/44/93/42/1430449342.db2.gz UOXBXXHWSQOPGR-MRXNPFEDSA-N 1 0 394.475 3.493 20 10 GGCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)Nc2cc(C)nn2-c2ccccc2F)c1 ZINC000182356461 1430453061 /nfs/dbraw/zinc/45/30/61/1430453061.db2.gz BEHNBUUNWJGHIP-AWEZNQCLSA-N 1 0 398.438 3.323 20 10 GGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)Nc2cc(C)nn2-c2ccc(F)cc2)c1 ZINC000182374647 1430455063 /nfs/dbraw/zinc/45/50/63/1430455063.db2.gz UTLWOCVZKBWMEP-CQSZACIVSA-N 1 0 398.438 3.323 20 10 GGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)Nc2ccc(N3CCCCC3)nc2)c1 ZINC000182398946 1430460099 /nfs/dbraw/zinc/46/00/99/1430460099.db2.gz GUKVCEVUCBYLNP-OAHLLOKOSA-N 1 0 384.480 3.075 20 10 GGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2csc(-c3ccc(C(N)=O)cc3)n2)c1 ZINC000182471191 1430473118 /nfs/dbraw/zinc/47/31/18/1430473118.db2.gz KKVIYMQVPZAGLV-GFCCVEGCSA-N 1 0 383.473 3.474 20 10 GGCDRO C[C@@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182569836 1430494809 /nfs/dbraw/zinc/49/48/09/1430494809.db2.gz CPYXMBKDXZCJKR-NVXWUHKLSA-N 1 0 376.520 3.344 20 10 GGCDRO COc1ccc(N2CCCN(C(=O)NCC[C@@H](C)[NH+]3CCCCC3)CC2)cc1 ZINC000182693095 1430518850 /nfs/dbraw/zinc/51/88/50/1430518850.db2.gz QSUJQWJVEWMJJU-LJQANCHMSA-N 1 0 388.556 3.181 20 10 GGCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@H](c1ccccc1C)C(C)C)cc2=O ZINC000183212040 1430649524 /nfs/dbraw/zinc/64/95/24/1430649524.db2.gz LIZNBCWIFBFCMB-IBGZPJMESA-N 1 0 382.464 3.407 20 10 GGCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@@H](c1ccccc1C)C(C)C)cc2=O ZINC000183212021 1430649681 /nfs/dbraw/zinc/64/96/81/1430649681.db2.gz LIZNBCWIFBFCMB-LJQANCHMSA-N 1 0 382.464 3.407 20 10 GGCDRO COc1ccc([C@H](C[NH2+][C@@H](C)c2ccccc2O)N2CCOCC2)cc1OC ZINC000183386758 1430697757 /nfs/dbraw/zinc/69/77/57/1430697757.db2.gz KJIKXOSDQYIMNM-LPHOPBHVSA-N 1 0 386.492 3.134 20 10 GGCDRO COc1cc2c(cc1OC)CN(C(=O)CCC[NH2+][C@@H](C)c1ccccc1O)CC2 ZINC000183598475 1430750701 /nfs/dbraw/zinc/75/07/01/1430750701.db2.gz BXLJWYAOWGEOPB-INIZCTEOSA-N 1 0 398.503 3.425 20 10 GGCDRO CCOc1ccc(C[NH+]2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)cc1 ZINC000183698740 1430775867 /nfs/dbraw/zinc/77/58/67/1430775867.db2.gz NRERXEXFNBQFRM-UHFFFAOYSA-N 1 0 386.492 3.433 20 10 GGCDRO COCc1cccc(C[NH+]2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)c1 ZINC000183706016 1430777787 /nfs/dbraw/zinc/77/77/87/1430777787.db2.gz UHZJRFRNKPQKMC-UHFFFAOYSA-N 1 0 386.492 3.181 20 10 GGCDRO Cc1cccc([C@@H](C)[NH2+]CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1C ZINC000183727547 1430782029 /nfs/dbraw/zinc/78/20/29/1430782029.db2.gz RAHWUXLBRRJSEK-GOSISDBHSA-N 1 0 399.510 3.246 20 10 GGCDRO Cc1cccc([C@H](C)[NH2+]CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1C ZINC000183727566 1430782049 /nfs/dbraw/zinc/78/20/49/1430782049.db2.gz RAHWUXLBRRJSEK-SFHVURJKSA-N 1 0 399.510 3.246 20 10 GGCDRO Cc1cc(C(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)c(C)n1-c1cc(C)cc(C)c1 ZINC000184068422 1430836924 /nfs/dbraw/zinc/83/69/24/1430836924.db2.gz HRSGBPIYIWFSNS-IBGZPJMESA-N 1 0 396.579 3.467 20 10 GGCDRO Cc1cc(C(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)c(C)n1-c1ccccc1C ZINC000184069796 1430837094 /nfs/dbraw/zinc/83/70/94/1430837094.db2.gz YHLIPIXDZYUXRN-GOSISDBHSA-N 1 0 382.552 3.158 20 10 GGCDRO Fc1ccc(-c2noc(CCC[NH2+]Cc3ccc(N4CCOCC4)cc3)n2)cc1 ZINC000184173215 1430850836 /nfs/dbraw/zinc/85/08/36/1430850836.db2.gz POUADDOYPYDTLA-UHFFFAOYSA-N 1 0 396.466 3.435 20 10 GGCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3cccc(OCCCOC)c3)c2)CC1 ZINC000184261901 1430864204 /nfs/dbraw/zinc/86/42/04/1430864204.db2.gz YXCPVLDXUXRHQK-UHFFFAOYSA-N 1 0 397.519 3.496 20 10 GGCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3cccc(N4CCOC4=O)c3)c2)CC1 ZINC000184265973 1430864792 /nfs/dbraw/zinc/86/47/92/1430864792.db2.gz MRPZLOXGXSGKGV-UHFFFAOYSA-N 1 0 394.475 3.037 20 10 GGCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3ccc(OCCCOC)cc3)c2)CC1 ZINC000184271657 1430865828 /nfs/dbraw/zinc/86/58/28/1430865828.db2.gz GCOBSZMWKOEBRD-UHFFFAOYSA-N 1 0 397.519 3.496 20 10 GGCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3ccc(C)c(NC(C)=O)c3)c2)CC1 ZINC000184274208 1430865937 /nfs/dbraw/zinc/86/59/37/1430865937.db2.gz VBYITFYGNIUHGW-UHFFFAOYSA-N 1 0 380.492 3.348 20 10 GGCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3ccccc3-c3nc(C)no3)c2)CC1 ZINC000184275274 1430866320 /nfs/dbraw/zinc/86/63/20/1430866320.db2.gz VAKZRVGKGJNDNI-UHFFFAOYSA-N 1 0 391.475 3.439 20 10 GGCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3ccc(-n4cccn4)cc3)c2)CC1 ZINC000184285392 1430868248 /nfs/dbraw/zinc/86/82/48/1430868248.db2.gz NHKCNARPEVDYMM-UHFFFAOYSA-N 1 0 375.476 3.267 20 10 GGCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3cccc(-n4cccn4)c3)c2)CC1 ZINC000184286282 1430868275 /nfs/dbraw/zinc/86/82/75/1430868275.db2.gz KXIIDWOUVOUDMS-UHFFFAOYSA-N 1 0 375.476 3.267 20 10 GGCDRO COc1cc(Cl)cc(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c1O ZINC000184706247 1430947721 /nfs/dbraw/zinc/94/77/21/1430947721.db2.gz KCQQZENRSRCTIO-LBPRGKRZSA-N 1 0 398.912 3.155 20 10 GGCDRO CC[NH+]1CCN(c2cccc(NC(=O)N[C@@H](C)c3cc(OC)ccc3O)c2)CC1 ZINC000184929269 1431023850 /nfs/dbraw/zinc/02/38/50/1431023850.db2.gz JBJVLYYJMITXQN-INIZCTEOSA-N 1 0 398.507 3.425 20 10 GGCDRO C[C@@H]([NH2+]Cc1ccccc1S(=O)(=O)N(C)C)c1cc2c(cc1O)CCCC2 ZINC000184964835 1431032082 /nfs/dbraw/zinc/03/20/82/1431032082.db2.gz BDWUULNVFCBEOE-OAHLLOKOSA-N 1 0 388.533 3.372 20 10 GGCDRO C[C@H]([NH2+]Cc1ccccc1S(=O)(=O)N(C)C)c1cc2c(cc1O)CCCC2 ZINC000184964812 1431032216 /nfs/dbraw/zinc/03/22/16/1431032216.db2.gz BDWUULNVFCBEOE-HNNXBMFYSA-N 1 0 388.533 3.372 20 10 GGCDRO COc1ccc(N2CCC(NC(=O)NCC3(C[NH+](C)C)CCCC3)CC2)cc1 ZINC000184976158 1431034882 /nfs/dbraw/zinc/03/48/82/1431034882.db2.gz ZAAHNLNGTLALTG-UHFFFAOYSA-N 1 0 388.556 3.085 20 10 GGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)c2ccc(OCC(=O)NC3CC3)cc2)c1 ZINC000185058519 1431051442 /nfs/dbraw/zinc/05/14/42/1431051442.db2.gz NEDMESNANONHCJ-CABCVRRESA-N 1 0 384.476 3.470 20 10 GGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c1 ZINC000185109324 1431062627 /nfs/dbraw/zinc/06/26/27/1431062627.db2.gz UTIBDVRZBRUUGU-KBPBESRZSA-N 1 0 378.494 3.063 20 10 GGCDRO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1)c1cc2c(cc1O)CCCC2 ZINC000185110655 1431063253 /nfs/dbraw/zinc/06/32/53/1431063253.db2.gz SVWUSPRPXNDDBE-HNNXBMFYSA-N 1 0 388.533 3.372 20 10 GGCDRO CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2O)cc1 ZINC000185133662 1431069086 /nfs/dbraw/zinc/06/90/86/1431069086.db2.gz CTKXLNLIVKPZQD-AWEZNQCLSA-N 1 0 380.485 3.411 20 10 GGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccccc2S(=O)(=O)NC(C)(C)C)c1 ZINC000185146407 1431072143 /nfs/dbraw/zinc/07/21/43/1431072143.db2.gz UOVFXWMSHVBHCS-AWEZNQCLSA-N 1 0 392.521 3.328 20 10 GGCDRO C[NH+](C)CC1(CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)CCCC1 ZINC000185162680 1431075027 /nfs/dbraw/zinc/07/50/27/1431075027.db2.gz HWVZUTMNCJUCRC-LJQANCHMSA-N 1 0 389.540 3.205 20 10 GGCDRO Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H](C)c2ccc3ccccc3c2O)cc1 ZINC000185195021 1431082123 /nfs/dbraw/zinc/08/21/23/1431082123.db2.gz FOGITTVIPHLUOZ-INIZCTEOSA-N 1 0 384.501 3.483 20 10 GGCDRO C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccc(F)cc1[O-] ZINC000185400519 1431137027 /nfs/dbraw/zinc/13/70/27/1431137027.db2.gz RVFQNVOOELRXFA-QAPCUYQASA-N 1 0 385.483 3.079 20 10 GGCDRO CCN(CC)c1ccc(C[NH2+]Cc2ccc(N3CCCS3(=O)=O)cc2)cc1 ZINC000185862086 1431255602 /nfs/dbraw/zinc/25/56/02/1431255602.db2.gz AYCKQBZNQRQFRM-UHFFFAOYSA-N 1 0 387.549 3.363 20 10 GGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C2CCN(S(=O)(=O)Cc3ccccc3)CC2)c1 ZINC000186055086 1431320817 /nfs/dbraw/zinc/32/08/17/1431320817.db2.gz DRDIJKSPYVAMRC-QGZVFWFLSA-N 1 0 388.533 3.346 20 10 GGCDRO CC[NH+](CC)CCOc1ccc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1 ZINC000186438844 1431419838 /nfs/dbraw/zinc/41/98/38/1431419838.db2.gz WYYZJYGDZBDKGC-MRXNPFEDSA-N 1 0 386.492 3.179 20 10 GGCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(N3CCCS3(=O)=O)c(F)c2)c1 ZINC000186711143 1431498268 /nfs/dbraw/zinc/49/82/68/1431498268.db2.gz BMEQTXPDWRYIQA-AWEZNQCLSA-N 1 0 378.469 3.230 20 10 GGCDRO COC(=O)N1CCC([C@H](C)[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000186765211 1431510802 /nfs/dbraw/zinc/51/08/02/1431510802.db2.gz IEUAXVFMBOBZGP-JKSUJKDBSA-N 1 0 393.503 3.180 20 10 GGCDRO COC(=O)N1CCC([C@@H](C)[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000186765247 1431510850 /nfs/dbraw/zinc/51/08/50/1431510850.db2.gz IEUAXVFMBOBZGP-HZPDHXFCSA-N 1 0 393.503 3.180 20 10 GGCDRO COc1ccc(N2CCC([NH2+]Cc3ccc4c(c3)CCC(=O)N4C)CC2)cc1 ZINC000187187169 1431640941 /nfs/dbraw/zinc/64/09/41/1431640941.db2.gz LBFYPLMSZFLSGN-UHFFFAOYSA-N 1 0 379.504 3.363 20 10 GGCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3ccccc3[S@@](=O)CC)c2)CC1 ZINC000187399822 1431719478 /nfs/dbraw/zinc/71/94/78/1431719478.db2.gz UXVYXYMWXFPKCC-MHZLTWQESA-N 1 0 385.533 3.208 20 10 GGCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3ccccc3-c3nnc(C)o3)c2)CC1 ZINC000187399656 1431719599 /nfs/dbraw/zinc/71/95/99/1431719599.db2.gz WSXSXEQTEIIJEI-UHFFFAOYSA-N 1 0 391.475 3.439 20 10 GGCDRO C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)c1ccc(F)c(F)c1[O-] ZINC000187747824 1431807576 /nfs/dbraw/zinc/80/75/76/1431807576.db2.gz FQMFJPIQDMANNO-AWEZNQCLSA-N 1 0 376.447 3.478 20 10 GGCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](CC)[C@@H](C)Cc1ccsc1)cc2=O ZINC000187780215 1431811601 /nfs/dbraw/zinc/81/16/01/1431811601.db2.gz AJPRJNLACFHMLY-ZDUSSCGKSA-N 1 0 388.493 3.126 20 10 GGCDRO Cc1nccnc1[C@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000187791869 1431812829 /nfs/dbraw/zinc/81/28/29/1431812829.db2.gz WODFPZHLCNUTBA-AWEZNQCLSA-N 1 0 380.414 3.491 20 10 GGCDRO C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc(F)c(F)c1[O-] ZINC000187911157 1431826402 /nfs/dbraw/zinc/82/64/02/1431826402.db2.gz PUOSCXVFFKMHAB-WMLDXEAASA-N 1 0 376.447 3.478 20 10 GGCDRO C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc(F)c(F)c1[O-] ZINC000187911185 1431826439 /nfs/dbraw/zinc/82/64/39/1431826439.db2.gz PUOSCXVFFKMHAB-RHSMWYFYSA-N 1 0 376.447 3.478 20 10 GGCDRO COC[C@@H]([NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1CCOCC1 ZINC000188088193 1431845085 /nfs/dbraw/zinc/84/50/85/1431845085.db2.gz YAYCTAQQCIOTGG-VQIMIIECSA-N 1 0 384.467 3.288 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CCSCC[C@H]3C)cc2F)CC1 ZINC000188711733 1431942165 /nfs/dbraw/zinc/94/21/65/1431942165.db2.gz BZIYAXMYOIXGDI-MRXNPFEDSA-N 1 0 394.560 3.005 20 10 GGCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3cccc(NC(C)=O)c3C)c2)CC1 ZINC000189220906 1432065663 /nfs/dbraw/zinc/06/56/63/1432065663.db2.gz BTXYHWCWYISUFI-UHFFFAOYSA-N 1 0 380.492 3.348 20 10 GGCDRO CCN(CCC[NH+]1CCCC1)C(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000190155158 1432329564 /nfs/dbraw/zinc/32/95/64/1432329564.db2.gz FTAMNVATNJXXIR-UHFFFAOYSA-N 1 0 388.556 3.181 20 10 GGCDRO Cc1ccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)c(-n2cc(Cl)cn2)n1 ZINC000190308047 1432357208 /nfs/dbraw/zinc/35/72/08/1432357208.db2.gz HRMDSYYCGDHCJW-UHFFFAOYSA-N 1 0 397.910 3.356 20 10 GGCDRO COc1cccc(CN(CC[NH+](C)C)C(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000190549637 1432404371 /nfs/dbraw/zinc/40/43/71/1432404371.db2.gz HXAHUYALPSVHHV-UHFFFAOYSA-N 1 0 384.524 3.035 20 10 GGCDRO CC(C)(C)n1cc(C[NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)nn1 ZINC000191228963 1432597239 /nfs/dbraw/zinc/59/72/39/1432597239.db2.gz XLEPKCCVUGYWRV-CQSZACIVSA-N 1 0 379.455 3.393 20 10 GGCDRO CC[NH+]1CCN(c2cccc(NCc3ccc(N4CCOCC4)cc3)c2)CC1 ZINC000191885825 1432747290 /nfs/dbraw/zinc/74/72/90/1432747290.db2.gz ASWXIBGMJUYEEH-UHFFFAOYSA-N 1 0 380.536 3.277 20 10 GGCDRO COc1cc(Cl)cc(C[NH2+]C[C@@H]2CN(Cc3ccccc3)CCCO2)c1O ZINC000192027221 1432781921 /nfs/dbraw/zinc/78/19/21/1432781921.db2.gz AVICVEWQLICZFL-LJQANCHMSA-N 1 0 390.911 3.435 20 10 GGCDRO COc1cccc2c1CC[C@H]([NH2+]Cc1ccc(N3CCC(O)CC3)c(F)c1)C2 ZINC000192440064 1432845069 /nfs/dbraw/zinc/84/50/69/1432845069.db2.gz BWCVIZKSYKVASO-SFHVURJKSA-N 1 0 384.495 3.443 20 10 GGCDRO COc1ccc(N2CCN(C(=O)C[NH2+][C@H](c3ccccc3)C3CC3)CC2)cc1 ZINC000192503799 1432852208 /nfs/dbraw/zinc/85/22/08/1432852208.db2.gz NAWNVXFZPNDJAT-HSZRJFAPSA-N 1 0 379.504 3.085 20 10 GGCDRO CCOC1CC(C[NH2+][C@@H](C)c2ccc3ccccc3c2O)(N2CCOCC2)C1 ZINC000193396781 1432990915 /nfs/dbraw/zinc/99/09/15/1432990915.db2.gz XDBGPDTWCINLHH-OYMFQORVSA-N 1 0 384.520 3.466 20 10 GGCDRO CCOC1CC(C[NH2+][C@H](C)c2ccc(N(C)CC)cc2)(N2CCOCC2)C1 ZINC000193402790 1432991761 /nfs/dbraw/zinc/99/17/61/1432991761.db2.gz WSTNCRVOBHUCIP-OSFYOIPJSA-N 1 0 375.557 3.063 20 10 GGCDRO CCOC1CC(C[NH2+][C@@H](C)c2ccc(N(C)CC)cc2)(N2CCOCC2)C1 ZINC000193402807 1432991861 /nfs/dbraw/zinc/99/18/61/1432991861.db2.gz WSTNCRVOBHUCIP-XTWGIRIWSA-N 1 0 375.557 3.063 20 10 GGCDRO CC(=O)c1cc(F)cc(C[N@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)c1O ZINC000193497018 1433009217 /nfs/dbraw/zinc/00/92/17/1433009217.db2.gz MLKPGXURXTZWRY-GASCZTMLSA-N 1 0 378.444 3.033 20 10 GGCDRO COCCCNC(=O)C1CC[NH+](Cc2cc(C)cc(C(C)(C)C)c2O)CC1 ZINC000193733230 1433049212 /nfs/dbraw/zinc/04/92/12/1433049212.db2.gz ZTJSBFLIWBVNFC-UHFFFAOYSA-N 1 0 376.541 3.363 20 10 GGCDRO COc1ccc(N2CCCN(C(=O)NC3CC[NH+](C(C)(C)C)CC3)CC2)cc1 ZINC000193831236 1433068661 /nfs/dbraw/zinc/06/86/61/1433068661.db2.gz MYXDYUYFASROGN-UHFFFAOYSA-N 1 0 388.556 3.180 20 10 GGCDRO CC(C)(C)[NH+]1CCC(NC(=O)NCc2ccc(N3CCSCC3)cc2)CC1 ZINC000193835534 1433069358 /nfs/dbraw/zinc/06/93/58/1433069358.db2.gz FNSQDLCCIMEZLP-UHFFFAOYSA-N 1 0 390.597 3.302 20 10 GGCDRO O=C(NCCCSc1nccs1)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000194248850 1433148546 /nfs/dbraw/zinc/14/85/46/1433148546.db2.gz ZDQHIJZMCLEECK-KRWDZBQOSA-N 1 0 390.578 3.447 20 10 GGCDRO CN(C)c1ccc(CN(C)C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000194455621 1433181090 /nfs/dbraw/zinc/18/10/90/1433181090.db2.gz VVCDIAJUCFOPHT-NRFANRHFSA-N 1 0 380.536 3.416 20 10 GGCDRO C[NH+](C)CCOc1ccccc1CNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000194678048 1433214334 /nfs/dbraw/zinc/21/43/34/1433214334.db2.gz LHMZXSSUXUYMQJ-UHFFFAOYSA-N 1 0 396.535 3.227 20 10 GGCDRO C[C@@H]([NH2+]C[C@H](C)NC(=O)OC(C)(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000195143209 1433298920 /nfs/dbraw/zinc/29/89/20/1433298920.db2.gz KIGAYTHRAJBGRW-LSDHHAIUSA-N 1 0 381.492 3.226 20 10 GGCDRO C[C@@H](C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)NC(=O)OC(C)(C)C ZINC000195143190 1433299035 /nfs/dbraw/zinc/29/90/35/1433299035.db2.gz KIGAYTHRAJBGRW-GJZGRUSLSA-N 1 0 381.492 3.226 20 10 GGCDRO Cc1cc(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)c(C)n1-c1cccc(Br)c1 ZINC000195265243 1433313413 /nfs/dbraw/zinc/31/34/13/1433313413.db2.gz REGJKYIUIWQJAZ-GASCZTMLSA-N 1 0 388.309 3.148 20 10 GGCDRO CCOC1CC(C[NH2+]Cc2ccc(N(CC)CC)c(F)c2)(N2CCOCC2)C1 ZINC000195461101 1433332778 /nfs/dbraw/zinc/33/27/78/1433332778.db2.gz FFFBRINDKVWODF-UHFFFAOYSA-N 1 0 393.547 3.031 20 10 GGCDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3cccc4c3CCC4)CC2)cc1 ZINC000195646957 1433342998 /nfs/dbraw/zinc/34/29/98/1433342998.db2.gz HROUYKRZCFBFOK-UHFFFAOYSA-N 1 0 393.531 3.126 20 10 GGCDRO CCOc1cccc(C[NH2+]CCCN2CCN(c3ccc(OC)cc3)CC2)c1O ZINC000236896155 1433382489 /nfs/dbraw/zinc/38/24/89/1433382489.db2.gz MALLEYVHTVGUHA-UHFFFAOYSA-N 1 0 399.535 3.101 20 10 GGCDRO CCOc1cccc(C[NH2+]Cc2ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)c1O ZINC000236911975 1433383002 /nfs/dbraw/zinc/38/30/02/1433383002.db2.gz NCDQWNNPEVTDLK-CALCHBBNSA-N 1 0 398.503 3.330 20 10 GGCDRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2cccc(OC)c2O)cc1 ZINC000237013314 1433385635 /nfs/dbraw/zinc/38/56/35/1433385635.db2.gz CMQLJUORPYGRMH-HNNXBMFYSA-N 1 0 392.521 3.282 20 10 GGCDRO COc1ccc(N2CCN(CCC[NH2+]Cc3cc(C)c(C)cc3O)CC2)cc1 ZINC000237271005 1433395170 /nfs/dbraw/zinc/39/51/70/1433395170.db2.gz ICOMMFHPJZLXAM-UHFFFAOYSA-N 1 0 383.536 3.320 20 10 GGCDRO COc1ccc(N2CCN(CCC[NH2+]Cc3cccc4[nH]ccc43)CC2)cc1 ZINC000237273836 1433395355 /nfs/dbraw/zinc/39/53/55/1433395355.db2.gz SFYCZRHBUCMGOV-UHFFFAOYSA-N 1 0 378.520 3.478 20 10 GGCDRO COc1ccc(C[NH2+]CC2CCN(S(=O)(=O)c3ccccc3)CC2)cc1C ZINC000237375006 1433399597 /nfs/dbraw/zinc/39/95/97/1433399597.db2.gz APNJWXDJRPDKET-UHFFFAOYSA-N 1 0 388.533 3.194 20 10 GGCDRO C[C@@H](CC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1CC[NH2+]CC1 ZINC000237521317 1433407786 /nfs/dbraw/zinc/40/77/86/1433407786.db2.gz MVEFIUYCXOTVNK-DOTOQJQBSA-N 1 0 395.494 3.399 20 10 GGCDRO Cc1cc(C(=O)N2CCC[NH2+]CC2)c(C)n1-c1ccc(Br)cc1 ZINC000237685748 1433416895 /nfs/dbraw/zinc/41/68/95/1433416895.db2.gz OJFWXZIYTVFZGJ-UHFFFAOYSA-N 1 0 376.298 3.292 20 10 GGCDRO COc1ccc(N2CCC(NC(=O)N[C@@H](C)C[N@@H+]3CCC[C@H](C)C3)CC2)cc1 ZINC000245386069 1433456702 /nfs/dbraw/zinc/45/67/02/1433456702.db2.gz JTDUMOUOUAMKSC-ROUUACIJSA-N 1 0 388.556 3.084 20 10 GGCDRO COc1ccc(N2CCC[N@H+](C[C@@H](O)COc3cccc4[nH]ccc43)CC2)cc1 ZINC000245794431 1433518533 /nfs/dbraw/zinc/51/85/33/1433518533.db2.gz XSYULZBBEKTBSQ-LJQANCHMSA-N 1 0 395.503 3.129 20 10 GGCDRO CC[C@H](C)[C@H](C)[NH2+]CC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000248549380 1433807897 /nfs/dbraw/zinc/80/78/97/1433807897.db2.gz FWWGKHZTTJSXDJ-QAETUUGQSA-N 1 0 379.520 3.080 20 10 GGCDRO C[C@H](CNC(=O)NCc1ccc(N2CCSCC2)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000249514575 1433845792 /nfs/dbraw/zinc/84/57/92/1433845792.db2.gz ARUSEGILPXELQB-QZTJIDSGSA-N 1 0 390.597 3.159 20 10 GGCDRO C[C@H](CNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)[N@@H+]1CCC[C@@H](C)C1 ZINC000249527255 1433846189 /nfs/dbraw/zinc/84/61/89/1433846189.db2.gz VBHSVMCLKVNZAA-GGPKGHCWSA-N 1 0 389.540 3.203 20 10 GGCDRO COc1ccc(N2CCC[N@@H+]([C@@H](C(=O)NC3CC3)c3ccccc3)CC2)cc1 ZINC000249681118 1433848788 /nfs/dbraw/zinc/84/87/88/1433848788.db2.gz BUNVQXDATNOUEV-JOCHJYFZSA-N 1 0 379.504 3.227 20 10 GGCDRO Oc1ccccc1C[N@H+](C[C@@H](O)COCc1cccs1)C[C@H]1CCCO1 ZINC000255218442 1433878580 /nfs/dbraw/zinc/87/85/80/1433878580.db2.gz GXLNZEBQNAHWHR-QZTJIDSGSA-N 1 0 377.506 3.012 20 10 GGCDRO C[NH+]1CCC(N2C(=O)/C(=C\c3ccc(-n4ccnc4)cc3)SC2=S)CC1 ZINC000255671571 1433887593 /nfs/dbraw/zinc/88/75/93/1433887593.db2.gz ZUNSTMCVPKCDFR-SFQUDFHCSA-N 1 0 384.530 3.168 20 10 GGCDRO COCC1(CNC(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)CC[NH2+]CC1 ZINC000261801503 1433904571 /nfs/dbraw/zinc/90/45/71/1433904571.db2.gz VUVTWAAMXJUGRS-UHFFFAOYSA-N 1 0 389.927 3.494 20 10 GGCDRO CCOc1cc(C[NH2+]Cc2ccccc2O)ccc1OCC(=O)N1CCCCC1 ZINC000263735261 1434026763 /nfs/dbraw/zinc/02/67/63/1434026763.db2.gz ZAZPOMXYJNKNHU-UHFFFAOYSA-N 1 0 398.503 3.472 20 10 GGCDRO CC[N@H+](C)[C@H](C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccccc1 ZINC000264027602 1434063725 /nfs/dbraw/zinc/06/37/25/1434063725.db2.gz LPKYVAHLQRGAAU-QFIPXVFZSA-N 1 0 399.510 3.096 20 10 GGCDRO CCN(Cc1ccncc1)C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000264372218 1434104045 /nfs/dbraw/zinc/10/40/45/1434104045.db2.gz RKWYWWSSGHDEFT-UHFFFAOYSA-N 1 0 399.514 3.094 20 10 GGCDRO CCC[NH+](CCC)CCCC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000264397684 1434107183 /nfs/dbraw/zinc/10/71/83/1434107183.db2.gz NCGLPBATZMGMFO-UHFFFAOYSA-N 1 0 393.547 3.305 20 10 GGCDRO CCCN(Cc1ccccc1O)C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000264488246 1434119313 /nfs/dbraw/zinc/11/93/13/1434119313.db2.gz BPTDTXQPSPHFBD-UHFFFAOYSA-N 1 0 385.508 3.454 20 10 GGCDRO CCCN(Cc1ccccc1O)C(=O)N[C@H]1CC[N@H+](CCCOCC)C[C@H]1C ZINC000265225019 1434202697 /nfs/dbraw/zinc/20/26/97/1434202697.db2.gz MBLQETHOKYPFSC-QUCCMNQESA-N 1 0 391.556 3.451 20 10 GGCDRO NC(=O)c1ccc(C[NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1 ZINC000266145937 1434306654 /nfs/dbraw/zinc/30/66/54/1434306654.db2.gz IWWDAEICDRTSAF-INIZCTEOSA-N 1 0 375.419 3.146 20 10 GGCDRO COc1cccc(CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1O ZINC000267363185 1434425973 /nfs/dbraw/zinc/42/59/73/1434425973.db2.gz JIQMXPONYLSLMS-QFBILLFUSA-N 1 0 383.492 3.111 20 10 GGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2ccc(C(=O)N3CCN(C)CC3)cc2)cc1 ZINC000268786721 1434557301 /nfs/dbraw/zinc/55/73/01/1434557301.db2.gz BOJSMXBKLJNAGH-LJQANCHMSA-N 1 0 394.563 3.381 20 10 GGCDRO CC(=O)N1CCN(c2ccccc2C[NH2+][C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000268805168 1434559263 /nfs/dbraw/zinc/55/92/63/1434559263.db2.gz FPPDWRVNXVMWNO-GOSISDBHSA-N 1 0 380.536 3.272 20 10 GGCDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1cccc(N2CCOCC2)c1 ZINC000268828829 1434561885 /nfs/dbraw/zinc/56/18/85/1434561885.db2.gz KBZMHDAYFFQSEB-IBGZPJMESA-N 1 0 381.520 3.211 20 10 GGCDRO C[C@H]([NH2+]Cc1cccc(-n2cncn2)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000268955649 1434575243 /nfs/dbraw/zinc/57/52/43/1434575243.db2.gz WPFFJRKVJNKCJT-INIZCTEOSA-N 1 0 381.455 3.094 20 10 GGCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc2c(ccn2CCC[NH3+])c1 ZINC000269250919 1434613323 /nfs/dbraw/zinc/61/33/23/1434613323.db2.gz HBHVUGXCCDYXEM-UHFFFAOYSA-N 1 0 378.476 3.095 20 10 GGCDRO C[C@@H]1CN(c2ccc(CNC(=O)C[C@@H]([NH3+])c3ccccc3)cc2F)C[C@H](C)O1 ZINC000269487622 1434652832 /nfs/dbraw/zinc/65/28/32/1434652832.db2.gz IBZNLECJSOBBSS-GQIGUUNPSA-N 1 0 385.483 3.146 20 10 GGCDRO C[C@@H]1CN(c2ccc(CNC(=O)C[C@H]([NH3+])c3ccccc3)cc2F)C[C@@H](C)O1 ZINC000269487627 1434652996 /nfs/dbraw/zinc/65/29/96/1434652996.db2.gz IBZNLECJSOBBSS-QINHECLXSA-N 1 0 385.483 3.146 20 10 GGCDRO O=C(CCC1CC[NH2+]CC1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000270962330 1434791196 /nfs/dbraw/zinc/79/11/96/1434791196.db2.gz HIBFQTXWXLVGEZ-INIZCTEOSA-N 1 0 381.467 3.153 20 10 GGCDRO COc1cc(O)c(C[N@@H+]2CCCN(C(=O)Oc3ccccc3)CC2)cc1OC ZINC000271105207 1434802174 /nfs/dbraw/zinc/80/21/74/1434802174.db2.gz RGMQUHHWZVXNGO-UHFFFAOYSA-N 1 0 386.448 3.116 20 10 GGCDRO COc1cc(O)c(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C2)cc1OC ZINC000271108818 1434802417 /nfs/dbraw/zinc/80/24/17/1434802417.db2.gz SUKOQQKPIKAHAL-HIFRSBDPSA-N 1 0 380.485 3.145 20 10 GGCDRO CCN(CC)c1ccc(C[NH2+][C@H](C)c2cccc(S(N)(=O)=O)c2)cc1F ZINC000271605176 1434838626 /nfs/dbraw/zinc/83/86/26/1434838626.db2.gz ACDZDVFNDZETKU-CQSZACIVSA-N 1 0 379.501 3.170 20 10 GGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(C)CC2)cc1)c1cccc(S(N)(=O)=O)c1 ZINC000271686243 1434844100 /nfs/dbraw/zinc/84/41/00/1434844100.db2.gz JXXKRBQOGDMYJS-QGZVFWFLSA-N 1 0 387.549 3.421 20 10 GGCDRO CC[C@H]([NH2+]Cc1cc(OC)c(OC)cc1O)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000271783724 1434850183 /nfs/dbraw/zinc/85/01/83/1434850183.db2.gz FGNLCQZKHXCHKP-AVRDEDQJSA-N 1 0 396.491 3.467 20 10 GGCDRO CC[C@@H]([NH2+]Cc1cc(OC)c(OC)cc1O)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000271783730 1434850218 /nfs/dbraw/zinc/85/02/18/1434850218.db2.gz FGNLCQZKHXCHKP-XMSQKQJNSA-N 1 0 396.491 3.467 20 10 GGCDRO COc1cccc(CNC(=O)N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1O ZINC000272522048 1434903590 /nfs/dbraw/zinc/90/35/90/1434903590.db2.gz NTTLVJOCZUJFKS-LPHOPBHVSA-N 1 0 383.492 3.111 20 10 GGCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccccc2OCC(=O)NC[C@@H]2CCCO2)c(O)c1 ZINC000273389197 1434985478 /nfs/dbraw/zinc/98/54/78/1434985478.db2.gz KIDBJMAHWQWTLZ-HKUYNNGSSA-N 1 0 398.503 3.225 20 10 GGCDRO COC(=O)c1ccc(O)c([C@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)cn2)c1 ZINC000273502027 1434992969 /nfs/dbraw/zinc/99/29/69/1434992969.db2.gz QGPUWKWBRZOLGV-HNNXBMFYSA-N 1 0 398.507 3.277 20 10 GGCDRO Cc1ccc([C@H](C)[NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)c(O)c1C ZINC000273608650 1434999607 /nfs/dbraw/zinc/99/96/07/1434999607.db2.gz VBAYIXUPMBEAJM-ZDUSSCGKSA-N 1 0 394.459 3.221 20 10 GGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)c2cccc(S(=O)(=O)N(C)C)c2)c1 ZINC000273623288 1435000287 /nfs/dbraw/zinc/00/02/87/1435000287.db2.gz ZUNVUUHYBDUGHH-KGLIPLIRSA-N 1 0 378.494 3.063 20 10 GGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)c2cccc(S(=O)(=O)N(C)C)c2)c1 ZINC000273623297 1435000378 /nfs/dbraw/zinc/00/03/78/1435000378.db2.gz ZUNVUUHYBDUGHH-ZIAGYGMSSA-N 1 0 378.494 3.063 20 10 GGCDRO COC(=O)c1cn(C2CC[NH+](Cc3cc(-c4ccccc4)ccc3O)CC2)nn1 ZINC000273786508 1435014246 /nfs/dbraw/zinc/01/42/46/1435014246.db2.gz ULIWYCBKTDELAB-UHFFFAOYSA-N 1 0 392.459 3.274 20 10 GGCDRO C[C@H]1CN(c2ccc(C[NH2+]C3CCC4(CC3)OCCO4)cc2F)C[C@H](C)O1 ZINC000274212364 1435051739 /nfs/dbraw/zinc/05/17/39/1435051739.db2.gz OALRXQBHORPZQZ-HOTGVXAUSA-N 1 0 378.488 3.215 20 10 GGCDRO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)[C@]12CCCO2 ZINC000274244394 1435054451 /nfs/dbraw/zinc/05/44/51/1435054451.db2.gz RGJIZFNAOQOQBE-CGRMTHRGSA-N 1 0 378.488 3.040 20 10 GGCDRO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)[C@@]12CCCO2 ZINC000274244401 1435054476 /nfs/dbraw/zinc/05/44/76/1435054476.db2.gz RGJIZFNAOQOQBE-QAJUQPOASA-N 1 0 378.488 3.040 20 10 GGCDRO CS(=O)(=O)CCCCC[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000274944749 1435105112 /nfs/dbraw/zinc/10/51/12/1435105112.db2.gz RDWMIDRLGVOENK-UHFFFAOYSA-N 1 0 377.506 3.276 20 10 GGCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000275651065 1435156534 /nfs/dbraw/zinc/15/65/34/1435156534.db2.gz DRVIJLSPQVEBRT-UHFFFAOYSA-N 1 0 396.535 3.190 20 10 GGCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000276737962 1435228989 /nfs/dbraw/zinc/22/89/89/1435228989.db2.gz AMORNXDSQBGBFN-FQEVSTJZSA-N 1 0 381.524 3.070 20 10 GGCDRO CN(Cc1ccccc1O)C(=O)c1cnn(CC[NH+](C)C)c1-c1ccccc1 ZINC000278011347 1435350028 /nfs/dbraw/zinc/35/00/28/1435350028.db2.gz DVFUNIVVBBAKAH-UHFFFAOYSA-N 1 0 378.476 3.090 20 10 GGCDRO COc1c(O)c(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000278143491 1435363929 /nfs/dbraw/zinc/36/39/29/1435363929.db2.gz BFAXCCSHEHJKOI-MRXNPFEDSA-N 1 0 388.420 3.196 20 10 GGCDRO COc1cc(O)c(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)cc1OC ZINC000278226608 1435371318 /nfs/dbraw/zinc/37/13/18/1435371318.db2.gz JWRJSKPHZYINES-UKRRQHHQSA-N 1 0 380.485 3.287 20 10 GGCDRO COc1cc(F)c([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)cc1OC ZINC000278463907 1435392760 /nfs/dbraw/zinc/39/27/60/1435392760.db2.gz FTGLUZVJXHLMJW-SNVBAGLBSA-N 1 0 380.372 3.316 20 10 GGCDRO COc1cc(F)c([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)cc1OC ZINC000278463906 1435392883 /nfs/dbraw/zinc/39/28/83/1435392883.db2.gz FTGLUZVJXHLMJW-JTQLQIEISA-N 1 0 380.372 3.316 20 10 GGCDRO CC[C@@H]([NH2+]Cc1ccc(OCC(=O)N(C)C)c(OC)c1)c1ccc(C)cc1O ZINC000280132155 1435597488 /nfs/dbraw/zinc/59/74/88/1435597488.db2.gz OZSIGPVTWIWLEV-GOSISDBHSA-N 1 0 386.492 3.417 20 10 GGCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3cc4nccnc4cc3F)c2)CC1 ZINC000280205549 1435608105 /nfs/dbraw/zinc/60/81/05/1435608105.db2.gz ZSCQQWALMJPGKK-UHFFFAOYSA-N 1 0 379.439 3.163 20 10 GGCDRO CCOc1ccc(O)c(C[NH2+][C@H](c2ccc(C)cc2)[C@@H](C)S(C)(=O)=O)c1 ZINC000280692647 1435705051 /nfs/dbraw/zinc/70/50/51/1435705051.db2.gz OTWZGEGLJISRBS-QRWLVFNGSA-N 1 0 377.506 3.363 20 10 GGCDRO C[C@@H]([NH2+]C1CCN(c2nccs2)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000281637166 1435816546 /nfs/dbraw/zinc/81/65/46/1435816546.db2.gz OTBXVZRDDKQIDC-OAHLLOKOSA-N 1 0 390.528 3.438 20 10 GGCDRO COc1ccccc1-n1nccc1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000281634755 1435816550 /nfs/dbraw/zinc/81/65/50/1435816550.db2.gz LZBNCQWAAQXDPM-UHFFFAOYSA-N 1 0 378.476 3.007 20 10 GGCDRO COc1c([O-])c(C[NH2+][C@H](CN(C)C)c2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000282817798 1435861465 /nfs/dbraw/zinc/86/14/65/1435861465.db2.gz AMVIGNPHAPVQCV-OAHLLOKOSA-N 1 0 379.844 3.355 20 10 GGCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CCN(C(=O)Nc3ccccc3)C2)c1O ZINC000283024855 1435870980 /nfs/dbraw/zinc/87/09/80/1435870980.db2.gz MOYLCNLDKDWDKW-MRXNPFEDSA-N 1 0 375.856 3.450 20 10 GGCDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000283570822 1435896050 /nfs/dbraw/zinc/89/60/50/1435896050.db2.gz JLJNAXGSCPKOSO-UHFFFAOYSA-N 1 0 383.492 3.221 20 10 GGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCC(=O)N(C3CC3)[C@H]2c2ccnn2C)cc1 ZINC000284492633 1436025764 /nfs/dbraw/zinc/02/57/64/1436025764.db2.gz ADXLIRRCTAYMBZ-LERMDLETSA-N 1 0 395.551 3.422 20 10 GGCDRO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2cc(F)cc(C(C)=O)c2O)cc1 ZINC000284777223 1436049015 /nfs/dbraw/zinc/04/90/15/1436049015.db2.gz NOGZWRNLWNNXMI-GFCCVEGCSA-N 1 0 379.453 3.378 20 10 GGCDRO CCCOc1ccc(C[N@H+](C)C[C@@H]2CCCN(C)[C@H]2c2ccnn2C)c(O)c1 ZINC000284803852 1436051365 /nfs/dbraw/zinc/05/13/65/1436051365.db2.gz KDADDTHIEIYJSM-PGRDOPGGSA-N 1 0 386.540 3.429 20 10 GGCDRO C[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1)c1ccc(N2CCOCC2)cc1Cl ZINC000820426332 945447228 /nfs/dbraw/zinc/44/72/28/945447228.db2.gz ILEAOOFFLNNDRM-AWEZNQCLSA-N 1 0 398.898 3.208 20 10 GGCDRO C[C@@H](C[N@H+](Cc1ccccc1)Cc1ccc(N2CC[NH+](C)CC2)cc1)C(=O)[O-] ZINC000901578607 980391145 /nfs/dbraw/zinc/39/11/45/980391145.db2.gz AIUDVOISRBRVGE-IBGZPJMESA-N 1 0 381.520 3.161 20 10 GGCDRO OC[C@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1cc(Br)ccc1O ZINC000116350656 1126076312 /nfs/dbraw/zinc/07/63/12/1126076312.db2.gz MEVRKKFCJJVIHS-HNNXBMFYSA-N 1 0 375.266 3.329 20 10 GGCDRO COc1ccc(C[NH2+][C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)c(O)c1OC ZINC001334182355 1126179276 /nfs/dbraw/zinc/17/92/76/1126179276.db2.gz HWAWIPNOPLORDF-KDOFPFPSSA-N 1 0 385.382 3.034 20 10 GGCDRO COc1ccc(N2CC[NH+](CCCNC(=O)Nc3ccccc3C)CC2)cc1 ZINC000003958264 206496717 /nfs/dbraw/zinc/49/67/17/206496717.db2.gz MGIBGVSGVSKEEM-UHFFFAOYSA-N 1 0 382.508 3.337 20 10 GGCDRO COc1ccc(N2CCC[N@H+](C[C@H](O)COc3cc(C)cc(C)c3)CC2)cc1 ZINC000084085951 208087356 /nfs/dbraw/zinc/08/73/56/208087356.db2.gz NOZKQOIPJFVTCX-NRFANRHFSA-N 1 0 384.520 3.264 20 10 GGCDRO COc1ccc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3Cc3ccccc3)CC2)cc1 ZINC000083947485 136174701 /nfs/dbraw/zinc/17/47/01/136174701.db2.gz VPCYOBFJJVVVLK-QFIPXVFZSA-N 1 0 379.504 3.008 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNc3ncc(Br)cn3)cc2F)CC1 ZINC000067372455 564790598 /nfs/dbraw/zinc/79/05/98/564790598.db2.gz VLJWEJODWVDHDC-UHFFFAOYSA-N 1 0 394.292 3.132 20 10 GGCDRO COc1ccc(Br)c(C(=O)NCCC[NH2+]Cc2ccccc2O)c1 ZINC000068981816 564830576 /nfs/dbraw/zinc/83/05/76/564830576.db2.gz AKEPYIIGPOMUPU-UHFFFAOYSA-N 1 0 393.281 3.073 20 10 GGCDRO COc1cc(Br)cc(C[NH+]2CCC(N3CCCCC3=O)CC2)c1O ZINC000093741491 564889632 /nfs/dbraw/zinc/88/96/32/564889632.db2.gz KFGXRSIJMXSBDN-UHFFFAOYSA-N 1 0 397.313 3.140 20 10 GGCDRO COc1cc(Br)cc(C[N@H+](C)[C@@H]2CCCc3c2cnn3C)c1O ZINC000093863768 564891548 /nfs/dbraw/zinc/89/15/48/564891548.db2.gz FUBMTIRXNSYKQR-CQSZACIVSA-N 1 0 380.286 3.406 20 10 GGCDRO COc1cc(Br)cc(C[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)c1O ZINC000151375907 564916961 /nfs/dbraw/zinc/91/69/61/564916961.db2.gz WQSUJYWJMNGJLB-CZUORRHYSA-N 1 0 388.327 3.308 20 10 GGCDRO CC[C@@H]([NH2+]CCCN1CC[NH+](CC)CC1)c1cc(Br)ccc1O ZINC000155122793 565062170 /nfs/dbraw/zinc/06/21/70/565062170.db2.gz MVWJCJVAKHHUOU-QGZVFWFLSA-N 1 0 384.362 3.223 20 10 GGCDRO CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+]Cc2c(O)cccc2Cl)cc1 ZINC000113327956 565069260 /nfs/dbraw/zinc/06/92/60/565069260.db2.gz SBWNVKUYVUNLFS-UHFFFAOYSA-N 1 0 382.913 3.364 20 10 GGCDRO C[C@H]([NH2+]CCc1nnc2n1CCCCC2)c1cc(Br)ccc1O ZINC000184955384 565167640 /nfs/dbraw/zinc/16/76/40/565167640.db2.gz UPDDAFKOUMGMPR-LBPRGKRZSA-N 1 0 379.302 3.366 20 10 GGCDRO COc1cc(O)c(C[NH+]2CCC(n3cc(Br)cn3)CC2)cc1OC ZINC000371365333 565190094 /nfs/dbraw/zinc/19/00/94/565190094.db2.gz DIAMNTOXUSAINX-UHFFFAOYSA-N 1 0 396.285 3.206 20 10 GGCDRO Cc1cc(Br)cc(C[NH+]2CCC(OC[C@H]3CCOC3)CC2)c1O ZINC000371796685 565210770 /nfs/dbraw/zinc/21/07/70/565210770.db2.gz RINFWIOYKJRWKA-AWEZNQCLSA-N 1 0 384.314 3.481 20 10 GGCDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@@H](N3CCCCC3=O)C2)c1O ZINC000372413368 565236595 /nfs/dbraw/zinc/23/65/95/565236595.db2.gz KQKUTCIVQKIOBC-OAHLLOKOSA-N 1 0 397.313 3.140 20 10 GGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1)c1cc(Cl)ccc1O ZINC000186041540 565237439 /nfs/dbraw/zinc/23/74/39/565237439.db2.gz FLDYNTBLCJXZJA-CYBMUJFWSA-N 1 0 380.897 3.436 20 10 GGCDRO Cc1cc(Br)cc(C[NH2+][C@@H](CO)C[C@H](O)c2ccccc2)c1O ZINC000271869446 565271483 /nfs/dbraw/zinc/27/14/83/565271483.db2.gz XGIKGZCGAVQYFP-SJORKVTESA-N 1 0 380.282 3.037 20 10 GGCDRO COCCOC1(C[NH2+][C@@H](C)c2ccc(Br)cc2O)CCOCC1 ZINC000296504506 565320676 /nfs/dbraw/zinc/32/06/76/565320676.db2.gz PFSLWRFTWZJYNG-ZDUSSCGKSA-N 1 0 388.302 3.018 20 10 GGCDRO COCCC(=O)N1CCC([NH2+][C@@H](C)c2cc(Br)cc(C)c2O)CC1 ZINC000187377684 565328131 /nfs/dbraw/zinc/32/81/31/565328131.db2.gz WHDGOEXHKSYUAE-ZDUSSCGKSA-N 1 0 399.329 3.141 20 10 GGCDRO CCN(Cc1cc(Br)ccc1O)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000297409853 565371247 /nfs/dbraw/zinc/37/12/47/565371247.db2.gz GWIRUTJXFMJJQH-MQVJKMGUSA-N 1 0 396.329 3.311 20 10 GGCDRO Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1[NH2+]Cc1cc(Br)ccc1O ZINC000275371224 565407347 /nfs/dbraw/zinc/40/73/47/565407347.db2.gz XHNYVDSSPGYRDU-YOEHRIQHSA-N 1 0 380.286 3.125 20 10 GGCDRO CC(C)(C)S(=O)(=O)N1CCC([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000277004012 565471245 /nfs/dbraw/zinc/47/12/45/565471245.db2.gz WVFKESWMVWSNNN-UHFFFAOYSA-N 1 0 395.352 3.381 20 10 GGCDRO C[C@@H]([NH2+]C1CCN(c2cccnn2)CC1)c1cc(Br)ccc1O ZINC000277110540 565477167 /nfs/dbraw/zinc/47/71/67/565477167.db2.gz MLCCQVGVPXRMSJ-GFCCVEGCSA-N 1 0 377.286 3.264 20 10 GGCDRO O=C(NCc1cccc(Br)c1O)NC1CC[NH+](C2CCCC2)CC1 ZINC000277272802 565486192 /nfs/dbraw/zinc/48/61/92/565486192.db2.gz AHDIYZLCSQBPCO-UHFFFAOYSA-N 1 0 396.329 3.361 20 10 GGCDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)c1O ZINC000377626172 565490331 /nfs/dbraw/zinc/49/03/31/565490331.db2.gz LSLULNGTMUSLPL-AWEZNQCLSA-N 1 0 398.219 3.443 20 10 GGCDRO C[C@@H](O)c1ncc(C[NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)s1 ZINC000377616138 565490458 /nfs/dbraw/zinc/49/04/58/565490458.db2.gz OOWKCRJGXCAANX-DOMZBBRYSA-N 1 0 381.929 3.310 20 10 GGCDRO Cc1cc(Br)cc(C[N@H+]2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)c1O ZINC000378440226 565527326 /nfs/dbraw/zinc/52/73/26/565527326.db2.gz AMCLPIROGLCEET-DLBZAZTESA-N 1 0 394.313 3.285 20 10 GGCDRO C[NH+](C)Cc1cccc(CNC(=O)NCc2cccc(Br)c2O)c1 ZINC000278472504 565561203 /nfs/dbraw/zinc/56/12/03/565561203.db2.gz WYXTXWONWGKUHP-UHFFFAOYSA-N 1 0 392.297 3.216 20 10 GGCDRO CC[C@H]([NH2+][C@@H]1CCCc2c1cnn2CCO)c1cc(Br)ccc1O ZINC000324375946 565618031 /nfs/dbraw/zinc/61/80/31/565618031.db2.gz MBEBKNWESCUHAH-JKSUJKDBSA-N 1 0 394.313 3.462 20 10 GGCDRO C[C@@H]([NH2+]CC1(S(C)(=O)=O)CCCC1)c1cc(Br)ccc1O ZINC000285577547 565914420 /nfs/dbraw/zinc/91/44/20/565914420.db2.gz GYJPREYCPARHRG-LLVKDONJSA-N 1 0 376.316 3.163 20 10 GGCDRO CC[C@H]([NH2+]C[C@@H]1CCCS(=O)(=O)C1)c1cc(Br)ccc1O ZINC000286911013 565985957 /nfs/dbraw/zinc/98/59/57/565985957.db2.gz FBEPWTSCCOQLKS-FZMZJTMJSA-N 1 0 376.316 3.020 20 10 GGCDRO C[C@@H]([NH2+][C@H]1CCCc2c1cnn2CCO)c1ccc(Br)cc1O ZINC000363854003 566022731 /nfs/dbraw/zinc/02/27/31/566022731.db2.gz LMLVRBGYWAMDED-ABAIWWIYSA-N 1 0 380.286 3.072 20 10 GGCDRO Cc1cc(Br)cc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)c1O ZINC000180070513 566030524 /nfs/dbraw/zinc/03/05/24/566030524.db2.gz DGSDAPODYBOYHF-CYBMUJFWSA-N 1 0 391.313 3.380 20 10 GGCDRO Oc1ccc(Br)cc1C[NH2+]Cc1ccncc1OC[C@@H]1CCOC1 ZINC000288570930 566080008 /nfs/dbraw/zinc/08/00/08/566080008.db2.gz ZQLVXDFEJWMVSA-CYBMUJFWSA-N 1 0 393.281 3.255 20 10 GGCDRO Cc1cc(Br)cc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c1O ZINC000289786774 566140137 /nfs/dbraw/zinc/14/01/37/566140137.db2.gz RVTNLIRZZVBBSI-YPMHNXCESA-N 1 0 382.220 3.456 20 10 GGCDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@@H](Cc3nccn3C)C2)c1O ZINC000182091498 566182329 /nfs/dbraw/zinc/18/23/29/566182329.db2.gz WTKQEBCTUGJJQY-ZDUSSCGKSA-N 1 0 394.313 3.352 20 10 GGCDRO COc1ccc(/C=C2/SC(=S)N(CC(C)(C)C[NH+](C)C)C2=O)cc1O ZINC000263887145 566200360 /nfs/dbraw/zinc/20/03/60/566200360.db2.gz PWOJVPPJBIDEAJ-OQLLNIDSSA-N 1 0 380.535 3.190 20 10 GGCDRO COc1ccc(N2CCC([NH2+]CCCn3cc(Br)cn3)CC2)cc1 ZINC000367473210 566204143 /nfs/dbraw/zinc/20/41/43/566204143.db2.gz CCXJHQGYLXZRFV-UHFFFAOYSA-N 1 0 393.329 3.303 20 10 GGCDRO COc1cc(Br)c(C[NH2+]Cc2cc3c(cc2O)OCO3)cc1OC ZINC000264356355 566213179 /nfs/dbraw/zinc/21/31/79/566213179.db2.gz GOFDCURCUMMQTF-UHFFFAOYSA-N 1 0 396.237 3.190 20 10 GGCDRO COc1cc(C[NH2+]Cc2cc3c(cc2O)OCO3)cc(Br)c1OC ZINC000264411971 566214818 /nfs/dbraw/zinc/21/48/18/566214818.db2.gz ZWSHXJQUTJPJHN-UHFFFAOYSA-N 1 0 396.237 3.190 20 10 GGCDRO Oc1ccc(Br)cc1C[NH2+]Cc1ccnc(OC2CCOCC2)c1 ZINC000264968943 566229116 /nfs/dbraw/zinc/22/91/16/566229116.db2.gz QHGKTLGTESWDHZ-UHFFFAOYSA-N 1 0 393.281 3.397 20 10 GGCDRO CCOc1ccc(C(=O)NCCC[NH+]2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000011853440 570438851 /nfs/dbraw/zinc/43/88/51/570438851.db2.gz YOTZPCBGDRHIAI-UHFFFAOYSA-N 1 0 397.519 3.036 20 10 GGCDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3cccc(Cl)c3)CC2)cc1 ZINC000011853438 570438972 /nfs/dbraw/zinc/43/89/72/570438972.db2.gz DVYMFJCVYSHJIF-UHFFFAOYSA-N 1 0 387.911 3.291 20 10 GGCDRO COc1ccc(N2CCN(C(=O)C[N@@H+]3CCC[C@H]3c3ccccc3)CC2)cc1 ZINC000012596108 570884421 /nfs/dbraw/zinc/88/44/21/570884421.db2.gz ZXXJYUVDCNQIKG-QFIPXVFZSA-N 1 0 379.504 3.181 20 10 GGCDRO COc1ccc(CN2CC[NH+](Cc3c(O)ccc4ccncc43)CC2)cc1F ZINC000032888176 570885003 /nfs/dbraw/zinc/88/50/03/570885003.db2.gz LPIACWZKMUSPGK-UHFFFAOYSA-N 1 0 381.451 3.406 20 10 GGCDRO COc1ccc(C[NH2+]Cc2ccc(N3CCCCC3)cc2)cc1-c1nn[nH]n1 ZINC000821818418 599420573 /nfs/dbraw/zinc/42/05/73/599420573.db2.gz PXWYVELNBJNLAQ-UHFFFAOYSA-N 1 0 378.480 3.155 20 10 GGCDRO COc1cc(O)c(C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC(C)C)cc1OC ZINC000826180968 608546564 /nfs/dbraw/zinc/54/65/64/608546564.db2.gz GDBJWICZVNIWLC-UHFFFAOYSA-N 1 0 397.479 3.248 20 10 GGCDRO CN(C)c1ccc(C[N@H+]2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)cc1F ZINC000825879990 608857159 /nfs/dbraw/zinc/85/71/59/608857159.db2.gz UMULNNKVEVKNQW-UHFFFAOYSA-N 1 0 378.455 3.361 20 10 GGCDRO COc1ccc(N2CCC([NH2+]C3(c4cccc(-c5nn[nH]n5)c4)CC3)CC2)cc1 ZINC000826209032 609250510 /nfs/dbraw/zinc/25/05/10/609250510.db2.gz KAKWYINANGFIGR-UHFFFAOYSA-N 1 0 390.491 3.123 20 10 GGCDRO COc1ccc(N2CCC[N@@H+]([C@H](C(=O)NC3CC3)c3ccccc3)CC2)cc1 ZINC000053773558 1406507018 /nfs/dbraw/zinc/50/70/18/1406507018.db2.gz BUNVQXDATNOUEV-QFIPXVFZSA-N 1 0 379.504 3.227 20 10 GGCDRO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCCN(c3ccc(OC)cc3)CC2)cc1 ZINC000053774036 1406508052 /nfs/dbraw/zinc/50/80/52/1406508052.db2.gz JNWTUBJTEJDIHT-KRWDZBQOSA-N 1 0 383.492 3.243 20 10 GGCDRO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCCN(c3ccc(OC)cc3)CC2)cc1 ZINC000053774037 1406508487 /nfs/dbraw/zinc/50/84/87/1406508487.db2.gz JNWTUBJTEJDIHT-QGZVFWFLSA-N 1 0 383.492 3.243 20 10 GGCDRO CC(C)[NH+](CCNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)C(C)C ZINC000053958008 1406569994 /nfs/dbraw/zinc/56/99/94/1406569994.db2.gz UYNKHOFAXJNYPI-LJQANCHMSA-N 1 0 377.529 3.202 20 10 GGCDRO CC[C@H]1CCCCN1C(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000053999546 1406583690 /nfs/dbraw/zinc/58/36/90/1406583690.db2.gz QRMYFACXWOQMFQ-IBGZPJMESA-N 1 0 388.556 3.181 20 10 GGCDRO C[N@H+](CCNC(=O)NCc1ccc(N2CCSCC2)cc1)Cc1ccccc1 ZINC000054764370 1406820910 /nfs/dbraw/zinc/82/09/10/1406820910.db2.gz OOFNBKMPVUIAKK-UHFFFAOYSA-N 1 0 398.576 3.171 20 10 GGCDRO CC[NH+](CC)[C@H](CNC(=O)NCc1ccc(N2CCOCC2)cc1)CC(C)C ZINC000054786045 1406825330 /nfs/dbraw/zinc/82/53/30/1406825330.db2.gz JKZQIKFMVNDLAV-NRFANRHFSA-N 1 0 390.572 3.079 20 10 GGCDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000011853384 1399015342 /nfs/dbraw/zinc/01/53/42/1399015342.db2.gz XFQQXJZIQWIIOU-UHFFFAOYSA-N 1 0 387.911 3.291 20 10 GGCDRO CCc1ccc(C(=O)NCCC[NH+]2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000011853390 1399015968 /nfs/dbraw/zinc/01/59/68/1399015968.db2.gz DCBUVGIMFKNJLO-UHFFFAOYSA-N 1 0 381.520 3.200 20 10 GGCDRO C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000016387186 1399236752 /nfs/dbraw/zinc/23/67/52/1399236752.db2.gz PTCJQUCBXOGBIH-YXTQBTIXSA-N 1 0 387.568 3.284 20 10 GGCDRO Cc1cc(O)c(C[NH+]2CCN(CC(=O)Nc3ccccc3Cl)CC2)cc1C ZINC000020636894 1399350776 /nfs/dbraw/zinc/35/07/76/1399350776.db2.gz IQAAXNHYOHDCOJ-UHFFFAOYSA-N 1 0 387.911 3.419 20 10 GGCDRO C[C@H]1C[C@H](C)CN(C(=O)CN2CC[NH+](Cc3c(O)ccc4ccccc43)CC2)C1 ZINC000022946011 1399519238 /nfs/dbraw/zinc/51/92/38/1399519238.db2.gz GWTJHNCDWMJCHV-OALUTQOASA-N 1 0 395.547 3.168 20 10 GGCDRO COc1ccc(N2CCN(C(=O)C[N@@H+]3CCC[C@H]3Cc3ccccc3)CC2)cc1 ZINC000025359892 1399802726 /nfs/dbraw/zinc/80/27/26/1399802726.db2.gz IQTNDMDIGWUCJJ-QFIPXVFZSA-N 1 0 393.531 3.051 20 10 GGCDRO COc1ccc(N2CCCN(C(=O)NCC(C)(C)[NH+]3CCCCC3)CC2)cc1 ZINC000056371833 1407313733 /nfs/dbraw/zinc/31/37/33/1407313733.db2.gz HTWRJTNVQWABPJ-UHFFFAOYSA-N 1 0 388.556 3.181 20 10 GGCDRO C[S@@](=O)c1ccc(C(=O)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)cc1 ZINC000056479303 1407344617 /nfs/dbraw/zinc/34/46/17/1407344617.db2.gz RMJWJTZFJFFBRG-NDEPHWFRSA-N 1 0 397.544 3.208 20 10 GGCDRO COc1ccc(N2CC[NH+](CCCNC(=O)N[C@H]3CCCC[C@@H]3C)CC2)cc1 ZINC000043047796 1403696530 /nfs/dbraw/zinc/69/65/30/1403696530.db2.gz PVBNMGYYCXOKPC-RXVVDRJESA-N 1 0 388.556 3.085 20 10 GGCDRO C[C@H](CNC(=O)N(C)Cc1ccc(N(C)C)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000045543912 1404144242 /nfs/dbraw/zinc/14/42/42/1404144242.db2.gz KTNKECBGYUFLKU-GOSISDBHSA-N 1 0 380.536 3.341 20 10 GGCDRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)N(C)Cc3ccccc3O)cc2)C[C@@H](C)O1 ZINC000045787377 1404204327 /nfs/dbraw/zinc/20/43/27/1404204327.db2.gz FXRHVMSWKBEVCC-QZTJIDSGSA-N 1 0 397.519 3.343 20 10 GGCDRO Cc1cccc(N2CC[NH+](CCCNC(=O)N(C)Cc3ccccc3O)CC2)c1 ZINC000046867514 1404618089 /nfs/dbraw/zinc/61/80/89/1404618089.db2.gz RGGQRGBONHFUFL-UHFFFAOYSA-N 1 0 396.535 3.054 20 10 GGCDRO CC[C@H](C)[N@H+](C)CCNC(=O)N(CC)Cc1cc(Br)ccc1O ZINC000174630363 1427275661 /nfs/dbraw/zinc/27/56/61/1427275661.db2.gz DEQKEOGTSYAWER-ZDUSSCGKSA-N 1 0 386.334 3.417 20 10 GGCDRO CC[C@@H](C)[N@H+](C)CCNC(=O)N(CC)Cc1cc(Br)ccc1O ZINC000174630351 1427275695 /nfs/dbraw/zinc/27/56/95/1427275695.db2.gz DEQKEOGTSYAWER-CYBMUJFWSA-N 1 0 386.334 3.417 20 10 GGCDRO Cc1cc(C(=O)NC2CC[NH+](Cc3cc(C(C)(C)C)cc(O)c3O)CC2)no1 ZINC000052084269 1405931313 /nfs/dbraw/zinc/93/13/13/1405931313.db2.gz XZWJYIQKFFZSBQ-UHFFFAOYSA-N 1 0 387.480 3.086 20 10 GGCDRO C[NH+](C)CCC1CCN(C(=O)NCc2ccc(N3CCSCC3)cc2)CC1 ZINC000056880033 1407463031 /nfs/dbraw/zinc/46/30/31/1407463031.db2.gz DCJBCEJKZUUOQI-UHFFFAOYSA-N 1 0 390.597 3.113 20 10 GGCDRO O=S(=O)(c1ccccc1)N1CCC[N@@H+](Cc2c(O)ccc3ccccc32)CC1 ZINC000057104620 1407521056 /nfs/dbraw/zinc/52/10/56/1407521056.db2.gz PNIQOSSALLTXGJ-UHFFFAOYSA-N 1 0 396.512 3.442 20 10 GGCDRO COc1ccc(N2CC[NH+](CCCNC(=O)N(C)CC3CCCC3)CC2)cc1 ZINC000057609169 1407664197 /nfs/dbraw/zinc/66/41/97/1407664197.db2.gz ZSISWIMLIXAWGH-UHFFFAOYSA-N 1 0 388.556 3.039 20 10 GGCDRO CC(C)(C)[N@@H+]1CCCN(C(=O)NCc2ccc(N3CCSCC3)cc2)CC1 ZINC000057614750 1407666344 /nfs/dbraw/zinc/66/63/44/1407666344.db2.gz MJTOKQKIWGQHRF-UHFFFAOYSA-N 1 0 390.597 3.256 20 10 GGCDRO COc1ccc(N2CC[NH+](CCCNC(=O)N(C)[C@H](C)C3(C)CC3)CC2)cc1 ZINC000176365078 1428272974 /nfs/dbraw/zinc/27/29/74/1428272974.db2.gz CLAYZPNIIBKHHY-GOSISDBHSA-N 1 0 388.556 3.037 20 10 GGCDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NCc1ccc(N(C)C)cc1 ZINC000060600463 1408009330 /nfs/dbraw/zinc/00/93/30/1408009330.db2.gz VEAOCDSNVSSNJA-QFIPXVFZSA-N 1 0 395.551 3.344 20 10 GGCDRO COc1ccc(C[NH+]2CCC(CNC(=O)N(C)Cc3ccccc3O)CC2)cc1 ZINC000063407259 1408349476 /nfs/dbraw/zinc/34/94/76/1408349476.db2.gz RWYNPTVQMUJPAP-UHFFFAOYSA-N 1 0 397.519 3.454 20 10 GGCDRO Cc1c(O)ccc2c(C[NH2+][C@@H](C)c3ccc(N4CCOCC4)cc3)cc(=O)oc12 ZINC000065278417 1408659439 /nfs/dbraw/zinc/65/94/39/1408659439.db2.gz NQLMDQIIWGSZMU-INIZCTEOSA-N 1 0 394.471 3.494 20 10 GGCDRO C[C@H](NC(=O)NCCC[NH2+]C1CCCCC1)c1ccc(N2CCOCC2)cc1 ZINC000065698287 1408714019 /nfs/dbraw/zinc/71/40/19/1408714019.db2.gz NKNLVYCVMXCSDP-SFHVURJKSA-N 1 0 388.556 3.196 20 10 GGCDRO CC(C)[NH+](CCNC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)C(C)C ZINC000065698274 1408714055 /nfs/dbraw/zinc/71/40/55/1408714055.db2.gz PNGZIRLSAHSSGP-GOSISDBHSA-N 1 0 376.545 3.002 20 10 GGCDRO COc1cccc(/C=C2\SC(=S)N(CC(C)(C)C[NH+](C)C)C2=O)c1OC ZINC000066145142 1408784580 /nfs/dbraw/zinc/78/45/80/1408784580.db2.gz SVTUPNDQQLHGEO-GDNBJRDFSA-N 1 0 394.562 3.493 20 10 GGCDRO C[C@H]1CN(C(=O)c2ccc(C[NH2+]Cc3ccc4c(c3)CCO4)cc2)C[C@H](C)O1 ZINC000067979149 1409269158 /nfs/dbraw/zinc/26/91/58/1409269158.db2.gz WHJFPKYCEJGVBC-IRXDYDNUSA-N 1 0 380.488 3.161 20 10 GGCDRO Cc1cc(C(=O)NC[C@@H](C)N2CC[NH+](C)CC2)c(C)n1-c1cc(C)cc(C)c1 ZINC000176671302 1428399514 /nfs/dbraw/zinc/39/95/14/1428399514.db2.gz YHASYDYXIXOSLU-LJQANCHMSA-N 1 0 382.552 3.077 20 10 GGCDRO C[C@H](NC(=O)NCCC[N@@H+]1CCCC[C@@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000068548907 1409435392 /nfs/dbraw/zinc/43/53/92/1409435392.db2.gz SQXBUAIPPDZANQ-OALUTQOASA-N 1 0 388.556 3.148 20 10 GGCDRO C[C@H](CNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)C[NH+]1CCCCC1 ZINC000068549121 1409435500 /nfs/dbraw/zinc/43/55/00/1409435500.db2.gz SFANNNMIFRZEJW-MOPGFXCFSA-N 1 0 388.556 3.005 20 10 GGCDRO C[C@@H](CNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)[N@@H+]1CCCC[C@H]1C ZINC000068549724 1409435894 /nfs/dbraw/zinc/43/58/94/1409435894.db2.gz HUEOZVFBWWNHJD-QYZOEREBSA-N 1 0 388.556 3.146 20 10 GGCDRO CCN(Cc1cccc(F)c1)C(=O)C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000071004832 1409811085 /nfs/dbraw/zinc/81/10/85/1409811085.db2.gz BATZZODWACKTPP-UHFFFAOYSA-N 1 0 399.510 3.143 20 10 GGCDRO C[N@H+](CC(=O)N1CCC[C@H]2CCCC[C@@H]21)Cc1ccc(N2CCOCC2)cc1 ZINC000071004508 1409811176 /nfs/dbraw/zinc/81/11/76/1409811176.db2.gz KMGIPAPKSRIUSU-IRLDBZIGSA-N 1 0 385.552 3.136 20 10 GGCDRO CC(C)N(Cc1ccccc1)C(=O)C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000071124144 1409822913 /nfs/dbraw/zinc/82/29/13/1409822913.db2.gz PBFKFMKVGCDXEO-UHFFFAOYSA-N 1 0 395.547 3.392 20 10 GGCDRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)CC1 ZINC000076297056 1409887152 /nfs/dbraw/zinc/88/71/52/1409887152.db2.gz GZLMVTXVZBAPQR-IBGZPJMESA-N 1 0 382.552 3.158 20 10 GGCDRO CC[NH+]1CCN([C@H](C)CNC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)CC1 ZINC000076297060 1409887336 /nfs/dbraw/zinc/88/73/36/1409887336.db2.gz GZLMVTXVZBAPQR-LJQANCHMSA-N 1 0 382.552 3.158 20 10 GGCDRO COc1cccc(C[N@H+](C)C[C@H](O)COc2ccc(C(F)(F)F)cc2)c1O ZINC000092189734 1410118294 /nfs/dbraw/zinc/11/82/94/1410118294.db2.gz LPGMQYBSEJHGEN-HNNXBMFYSA-N 1 0 385.382 3.291 20 10 GGCDRO COc1cccc(C[NH2+]CCC(=O)Nc2cc(C)c(Cl)cc2OC)c1O ZINC000176761562 1428452704 /nfs/dbraw/zinc/45/27/04/1428452704.db2.gz XUBUVEVJKVLBQN-UHFFFAOYSA-N 1 0 378.856 3.490 20 10 GGCDRO COCCCNC(=O)C1CC[NH+](Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000092361935 1410143598 /nfs/dbraw/zinc/14/35/98/1410143598.db2.gz YIYZEKAHWGEJPU-UHFFFAOYSA-N 1 0 382.504 3.424 20 10 GGCDRO CCN(CC)c1ccc(C[NH+]2CCC(C(=O)NCCCOC)CC2)cc1F ZINC000092361950 1410144159 /nfs/dbraw/zinc/14/41/59/1410144159.db2.gz INQJCUIZACIJMN-UHFFFAOYSA-N 1 0 379.520 3.037 20 10 GGCDRO COc1ccc(N2CCC[N@H+](Cc3cc(OC)c(OC)c(OC)c3)CC2)cc1 ZINC000092380807 1410148208 /nfs/dbraw/zinc/14/82/08/1410148208.db2.gz FQQHXYBBPGIVDP-UHFFFAOYSA-N 1 0 386.492 3.433 20 10 GGCDRO COc1ccc(N2CCC[N@H+](Cc3ccccc3N3CCOCC3)CC2)cc1 ZINC000092380817 1410148379 /nfs/dbraw/zinc/14/83/79/1410148379.db2.gz JLWDOAFEKNNJQX-UHFFFAOYSA-N 1 0 381.520 3.244 20 10 GGCDRO CCOc1cccc(C[NH+]2CCC(C(=O)NCCc3cccs3)CC2)c1O ZINC000092644495 1410182076 /nfs/dbraw/zinc/18/20/76/1410182076.db2.gz ACVFEVXIGZFYGJ-UHFFFAOYSA-N 1 0 388.533 3.423 20 10 GGCDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@@H](CNC(=O)C(C)C)C2)c1O ZINC000092706042 1410190942 /nfs/dbraw/zinc/19/09/42/1410190942.db2.gz CAYOMJFVOXILQC-ZDUSSCGKSA-N 1 0 399.329 3.148 20 10 GGCDRO CCC[N@H+](Cc1cc(Cl)c(OCC(N)=O)c(OC)c1)Cc1ccccc1O ZINC000092704977 1410191391 /nfs/dbraw/zinc/19/13/91/1410191391.db2.gz XSIQVBJSLYCEKM-UHFFFAOYSA-N 1 0 392.883 3.331 20 10 GGCDRO COCCc1nc(C)c([C@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2)s1 ZINC000092740485 1410197469 /nfs/dbraw/zinc/19/74/69/1410197469.db2.gz MQFHVEWLLVSFEY-HNNXBMFYSA-N 1 0 375.538 3.328 20 10 GGCDRO CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1ccc(N2CCOCC2)cc1 ZINC000093083836 1410221248 /nfs/dbraw/zinc/22/12/48/1410221248.db2.gz LYNKGBFJDSGUKQ-UHFFFAOYSA-N 1 0 381.520 3.247 20 10 GGCDRO CC(C)(C)C(=O)NC[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000093281496 1410230218 /nfs/dbraw/zinc/23/02/18/1410230218.db2.gz NGACRSVPVNMSLF-GOSISDBHSA-N 1 0 391.531 3.037 20 10 GGCDRO CCOc1cccc(C[N@H+](CCO)Cc2cnn(Cc3ccccc3)c2)c1O ZINC000093359043 1410238585 /nfs/dbraw/zinc/23/85/85/1410238585.db2.gz AGASOOGZYFNBLI-UHFFFAOYSA-N 1 0 381.476 3.030 20 10 GGCDRO COc1ccc(C[N@H+](CCO)Cc2cc(Br)ccc2O)c(OC)c1 ZINC000093363658 1410240127 /nfs/dbraw/zinc/24/01/27/1410240127.db2.gz PROUKVPPHVULTH-UHFFFAOYSA-N 1 0 396.281 3.166 20 10 GGCDRO [O-]c1c(Br)cccc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000093735083 1410262221 /nfs/dbraw/zinc/26/22/21/1410262221.db2.gz RRHCTPUAXFFCTB-UHFFFAOYSA-N 1 0 383.330 3.232 20 10 GGCDRO CCOc1cccc(C[NH+]2CCN(Cc3cc(OC)cc(OC)c3)CC2)c1O ZINC000093841066 1410274038 /nfs/dbraw/zinc/27/40/38/1410274038.db2.gz BMWGYZDYOAFYAD-UHFFFAOYSA-N 1 0 386.492 3.126 20 10 GGCDRO CCCC[NH+]1CCC(NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)CC1 ZINC000102001522 1410541146 /nfs/dbraw/zinc/54/11/46/1410541146.db2.gz ZOWRTSREAZXOTJ-SFHVURJKSA-N 1 0 388.556 3.148 20 10 GGCDRO CCCC[NH+]1CCC(NC(=O)NC2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC000102565043 1410650812 /nfs/dbraw/zinc/65/08/12/1410650812.db2.gz UUGSXJZZLOLJFR-UHFFFAOYSA-N 1 0 388.556 3.228 20 10 GGCDRO COc1ccc(N2CCC(NC(=O)N[C@H](C)C[N@@H+]3CCC[C@@H](C)C3)CC2)cc1 ZINC000102560825 1410650926 /nfs/dbraw/zinc/65/09/26/1410650926.db2.gz JTDUMOUOUAMKSC-QZTJIDSGSA-N 1 0 388.556 3.084 20 10 GGCDRO CC[N@H+](C)[C@@H](C(=O)NCc1ccc(N2CCC(CO)CC2)cc1)c1ccccc1 ZINC000103190472 1410836361 /nfs/dbraw/zinc/83/63/61/1410836361.db2.gz ZJOUECPIWWXWCO-HSZRJFAPSA-N 1 0 395.547 3.205 20 10 GGCDRO COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)c1 ZINC000103508182 1410864729 /nfs/dbraw/zinc/86/47/29/1410864729.db2.gz PJBAHDOTYGCFPH-HZPDHXFCSA-N 1 0 383.492 3.208 20 10 GGCDRO COc1ccc(O)c([C@@H](C)NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000103503350 1410864906 /nfs/dbraw/zinc/86/49/06/1410864906.db2.gz SLCSGTUTRDLHOG-MRXNPFEDSA-N 1 0 383.492 3.426 20 10 GGCDRO COc1ccc(O)c([C@@H](C)NC(=O)NC2CC[NH+](CC3CCCC3)CC2)c1 ZINC000103514728 1410865574 /nfs/dbraw/zinc/86/55/74/1410865574.db2.gz LLXVSEJXOPPCPG-OAHLLOKOSA-N 1 0 375.513 3.416 20 10 GGCDRO COc1ccc(O)c([C@@H](C)NC(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)c1 ZINC000103608161 1410868973 /nfs/dbraw/zinc/86/89/73/1410868973.db2.gz XQCCDEVGFSDPAC-FZKQIMNGSA-N 1 0 375.444 3.203 20 10 GGCDRO CC[NH+](CC)[C@H](CNC(=O)N[C@@H](C)c1cc(OC)ccc1O)c1ccco1 ZINC000103611753 1410869014 /nfs/dbraw/zinc/86/90/14/1410869014.db2.gz GWNBAIXCXXHXAQ-WMLDXEAASA-N 1 0 375.469 3.437 20 10 GGCDRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2sccc2-n2c(C)ccc2C)CC1 ZINC000104191658 1410886482 /nfs/dbraw/zinc/88/64/82/1410886482.db2.gz GMESQAAJYRPOJL-INIZCTEOSA-N 1 0 388.581 3.159 20 10 GGCDRO Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000104254006 1410888833 /nfs/dbraw/zinc/88/88/33/1410888833.db2.gz SMRHDGFLRVWSDC-UHFFFAOYSA-N 1 0 382.552 3.160 20 10 GGCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@H](c1ccccc1)C1CCC1)cc2=O ZINC000104696748 1410931668 /nfs/dbraw/zinc/93/16/68/1410931668.db2.gz NNQWIHPYMZRPKS-LJQANCHMSA-N 1 0 380.448 3.243 20 10 GGCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@@H](c1ccccc1)C1CCC1)cc2=O ZINC000104696744 1410932422 /nfs/dbraw/zinc/93/24/22/1410932422.db2.gz NNQWIHPYMZRPKS-IBGZPJMESA-N 1 0 380.448 3.243 20 10 GGCDRO CC[NH+](CC)[C@@H](C(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccccc1 ZINC000104855333 1410979863 /nfs/dbraw/zinc/97/98/63/1410979863.db2.gz IRDZYMQSJUBYKW-JOCHJYFZSA-N 1 0 399.510 3.362 20 10 GGCDRO CC[C@H](C)[C@H](C)[N@H+](CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000104967588 1411005346 /nfs/dbraw/zinc/00/53/46/1411005346.db2.gz DYUGOWUJZKJBAS-IRXDYDNUSA-N 1 0 391.531 3.178 20 10 GGCDRO CC[C@@H](C)[C@H](C)[N@H+](CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000104967585 1411005483 /nfs/dbraw/zinc/00/54/83/1411005483.db2.gz DYUGOWUJZKJBAS-SJORKVTESA-N 1 0 391.531 3.178 20 10 GGCDRO CC[C@H](C)[C@@H](C)[N@H+](CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000104967581 1411005526 /nfs/dbraw/zinc/00/55/26/1411005526.db2.gz DYUGOWUJZKJBAS-DLBZAZTESA-N 1 0 391.531 3.178 20 10 GGCDRO COc1ccc(N2CCC(NC(=O)NC[C@@H](C(C)C)[NH+]3CCCC3)CC2)cc1 ZINC000105228517 1411044514 /nfs/dbraw/zinc/04/45/14/1411044514.db2.gz AINVBAPGFBOBMG-NRFANRHFSA-N 1 0 388.556 3.084 20 10 GGCDRO O=S(=O)(c1ccccc1)N1CCC(C[NH2+]Cc2cc(Cl)ccc2O)CC1 ZINC000105472820 1411070608 /nfs/dbraw/zinc/07/06/08/1411070608.db2.gz IREYZBIGUXEVEV-UHFFFAOYSA-N 1 0 394.924 3.236 20 10 GGCDRO CCc1noc(-c2ccc(CC[NH2+]Cc3ccc(N4CCOCC4)cc3)cc2)n1 ZINC000105491640 1411072324 /nfs/dbraw/zinc/07/23/24/1411072324.db2.gz OXHGJPMIFHVSEN-UHFFFAOYSA-N 1 0 392.503 3.468 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)Nc3cccc(OC)c3)cc2F)CC1 ZINC000106506590 1411225241 /nfs/dbraw/zinc/22/52/41/1411225241.db2.gz STHDGHYMVAFTJF-UHFFFAOYSA-N 1 0 386.471 3.298 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NCc3ccc(F)cc3)cc2F)CC1 ZINC000106506620 1411227074 /nfs/dbraw/zinc/22/70/74/1411227074.db2.gz DOFMIOSRCYNCMV-UHFFFAOYSA-N 1 0 388.462 3.106 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)Nc3ccc(N(C)C)cc3)cc2F)CC1 ZINC000106584788 1411258096 /nfs/dbraw/zinc/25/80/96/1411258096.db2.gz ZSLJCGGKSHGHNK-UHFFFAOYSA-N 1 0 399.514 3.355 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N(C)[C@H](C)c3ccncc3)cc2F)CC1 ZINC000106584768 1411258342 /nfs/dbraw/zinc/25/83/42/1411258342.db2.gz JOOUCJWMDFXIRP-QGZVFWFLSA-N 1 0 399.514 3.265 20 10 GGCDRO CCCN(CC(F)F)C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000106584906 1411258553 /nfs/dbraw/zinc/25/85/53/1411258553.db2.gz CGMIKZNTLHKXQH-UHFFFAOYSA-N 1 0 386.462 3.154 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@H](C)c3cccc(OC)c3)cc2F)CC1 ZINC000106702248 1411279610 /nfs/dbraw/zinc/27/96/10/1411279610.db2.gz GNWUJEHUYITTGN-QGZVFWFLSA-N 1 0 399.510 3.396 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)Cc3c[nH]c4ccccc34)cc2F)CC1 ZINC000106701972 1411280159 /nfs/dbraw/zinc/28/01/59/1411280159.db2.gz HARQCWYJYAMILR-UHFFFAOYSA-N 1 0 394.494 3.308 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)Cc3ccc(C)c(OC)c3)cc2F)CC1 ZINC000106701930 1411280230 /nfs/dbraw/zinc/28/02/30/1411280230.db2.gz IDAYQEMSIFMFQZ-UHFFFAOYSA-N 1 0 399.510 3.144 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@H](C)OCc3ccccc3)cc2F)CC1 ZINC000106702431 1411281329 /nfs/dbraw/zinc/28/13/29/1411281329.db2.gz QEXBILZWGJTAHO-SFHVURJKSA-N 1 0 399.510 3.189 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)CCc3ccsc3)cc2F)CC1 ZINC000106702667 1411281449 /nfs/dbraw/zinc/28/14/49/1411281449.db2.gz ZBQHXCDJNQXMST-UHFFFAOYSA-N 1 0 375.513 3.278 20 10 GGCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCC[C@H]1c1ccc(C)cc1)cc2=O ZINC000108096638 1411438238 /nfs/dbraw/zinc/43/82/38/1411438238.db2.gz HWBMCQQGAUMMQQ-SFHVURJKSA-N 1 0 380.448 3.257 20 10 GGCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@@H](c1ccccc1)C(C)(C)C)cc2=O ZINC000108855231 1411626842 /nfs/dbraw/zinc/62/68/42/1411626842.db2.gz AHZRPRQMFAOXGH-SFHVURJKSA-N 1 0 382.464 3.489 20 10 GGCDRO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)Cc1cccc(F)c1)c1ccc(N2CCOCC2)cc1 ZINC000109347504 1411746159 /nfs/dbraw/zinc/74/61/59/1411746159.db2.gz BFDGADZNQKJHAZ-MSOLQXFVSA-N 1 0 399.510 3.360 20 10 GGCDRO CCC[N@@H+]1CCCC[C@H]1C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000109444060 1411765028 /nfs/dbraw/zinc/76/50/28/1411765028.db2.gz GMQCSRARAYFFTE-FVJLSDCUSA-N 1 0 391.531 3.320 20 10 GGCDRO CC(C)[C@H](NC(=O)C[N@H+](C)Cc1ccccc1O)c1ccc2c(c1)OCCCO2 ZINC000109771659 1411808903 /nfs/dbraw/zinc/80/89/03/1411808903.db2.gz IBRVKMZKHAPSSR-QHCPKHFHSA-N 1 0 398.503 3.499 20 10 GGCDRO C[C@@H](NC(=O)C[N@H+](C)Cc1ccccc1O)c1ccc(Br)cc1 ZINC000109769352 1411809139 /nfs/dbraw/zinc/80/91/39/1411809139.db2.gz NTCFVYXACBESLW-CYBMUJFWSA-N 1 0 377.282 3.464 20 10 GGCDRO CN(C)c1ccc(CN(C)C(=O)CCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000109933700 1411819251 /nfs/dbraw/zinc/81/92/51/1411819251.db2.gz ZVKMXQRZCFLTQI-UHFFFAOYSA-N 1 0 394.563 3.313 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3ccc(C(C)=O)cc3)cc2F)CC1 ZINC000110305401 1411843358 /nfs/dbraw/zinc/84/33/58/1411843358.db2.gz RBPYKHUPTXWDJY-UHFFFAOYSA-N 1 0 383.467 3.100 20 10 GGCDRO CC[N@H+](C)[C@@H](C(=O)N1CCCN(c2ccc(OC)cc2)CC1)c1ccccc1 ZINC000110965752 1411879317 /nfs/dbraw/zinc/87/93/17/1411879317.db2.gz RGOXDPPWVIVKIZ-JOCHJYFZSA-N 1 0 381.520 3.427 20 10 GGCDRO CC(C)N(CC(F)(F)F)C(=O)C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000111232884 1411896706 /nfs/dbraw/zinc/89/67/06/1411896706.db2.gz HYXNKLIYCYKFHG-INIZCTEOSA-N 1 0 388.430 3.173 20 10 GGCDRO CN(Cc1ccccc1Br)C(=O)C[N@H+](C)Cc1ccccc1O ZINC000111235944 1411896897 /nfs/dbraw/zinc/89/68/97/1411896897.db2.gz UQHJXXOUUGSUJK-UHFFFAOYSA-N 1 0 377.282 3.245 20 10 GGCDRO COc1ccc(NC(=O)CC[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)cc1 ZINC000111232930 1411896909 /nfs/dbraw/zinc/89/69/09/1411896909.db2.gz MMAVYAHORNFXAL-HXUWFJFHSA-N 1 0 384.476 3.411 20 10 GGCDRO C[N@H+](CC(=O)NCCc1ccc(OC(F)(F)F)cc1)Cc1ccccc1O ZINC000111235415 1411897053 /nfs/dbraw/zinc/89/70/53/1411897053.db2.gz CEGKYAJBIFFSPC-UHFFFAOYSA-N 1 0 382.382 3.082 20 10 GGCDRO CN(Cc1ccccc1O)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000112217199 1412095042 /nfs/dbraw/zinc/09/50/42/1412095042.db2.gz GMPGUYVHZJPQKX-UHFFFAOYSA-N 1 0 377.554 3.285 20 10 GGCDRO COc1ccc(N2CCC([NH2+][C@H]3CCN(c4ccccc4F)C3=O)CC2)cc1 ZINC000112367085 1412135936 /nfs/dbraw/zinc/13/59/36/1412135936.db2.gz QQQLDNJSTZSUPU-FQEVSTJZSA-N 1 0 383.467 3.198 20 10 GGCDRO Cc1nc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)sc1C ZINC000112536809 1412165218 /nfs/dbraw/zinc/16/52/18/1412165218.db2.gz FASZXKSCTLHDNK-GJZGRUSLSA-N 1 0 388.537 3.274 20 10 GGCDRO Cc1ccc(CN(C(=O)C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)C2CC2)o1 ZINC000112599338 1412176767 /nfs/dbraw/zinc/17/67/67/1412176767.db2.gz WTXXGDCITCKJCL-FQEVSTJZSA-N 1 0 398.503 3.466 20 10 GGCDRO CC[C@H](OC1CCCC1)C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000112816946 1412221133 /nfs/dbraw/zinc/22/11/33/1412221133.db2.gz QFKPUHGJAOSYBY-NRFANRHFSA-N 1 0 391.531 3.322 20 10 GGCDRO CC[NH+]1CCN(CCNC(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)CC1 ZINC000112918193 1412239137 /nfs/dbraw/zinc/23/91/37/1412239137.db2.gz GWAMYAKJJGMSMY-UHFFFAOYSA-N 1 0 388.943 3.115 20 10 GGCDRO CC[NH+]1CCN(CCNC(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)CC1 ZINC000112918394 1412240096 /nfs/dbraw/zinc/24/00/96/1412240096.db2.gz URWUEIWURZEAMA-UHFFFAOYSA-N 1 0 388.943 3.115 20 10 GGCDRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2ccc(-n3c(C)ccc3C)cc2)CC1 ZINC000112922891 1412242089 /nfs/dbraw/zinc/24/20/89/1412242089.db2.gz NJDUAYVICPKNOY-SFHVURJKSA-N 1 0 382.552 3.098 20 10 GGCDRO COc1ccc([C@@H](C[NH2+]Cc2ccc(N(C)C)c(F)c2)N2CCOCC2)cc1 ZINC000113313184 1412291339 /nfs/dbraw/zinc/29/13/39/1412291339.db2.gz FVBSIZGNTZHRND-JOCHJYFZSA-N 1 0 387.499 3.063 20 10 GGCDRO COc1ccc([C@H](C[NH2+]Cc2ccc(N(C)C)c(F)c2)N2CCOCC2)cc1 ZINC000113313182 1412291756 /nfs/dbraw/zinc/29/17/56/1412291756.db2.gz FVBSIZGNTZHRND-QFIPXVFZSA-N 1 0 387.499 3.063 20 10 GGCDRO C[C@H]1CN(C(=O)c2ccc(C[NH2+]Cc3ccc(N(C)C)c(F)c3)cc2)C[C@H](C)O1 ZINC000113328399 1412293527 /nfs/dbraw/zinc/29/35/27/1412293527.db2.gz JBVGTJNVXKEECP-IRXDYDNUSA-N 1 0 399.510 3.431 20 10 GGCDRO CNC(=O)c1ccc(C[NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc1 ZINC000113359220 1412297913 /nfs/dbraw/zinc/29/79/13/1412297913.db2.gz VJVBUWQIHNOIBU-IBGZPJMESA-N 1 0 387.911 3.159 20 10 GGCDRO Oc1ccc(Cl)cc1CN1CCC[C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000113359284 1412298091 /nfs/dbraw/zinc/29/80/91/1412298091.db2.gz SLHIPRIMYZRMII-MRXNPFEDSA-N 1 0 390.867 3.234 20 10 GGCDRO CNC(=O)c1ccc(C[NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc1 ZINC000113359219 1412298459 /nfs/dbraw/zinc/29/84/59/1412298459.db2.gz VJVBUWQIHNOIBU-LJQANCHMSA-N 1 0 387.911 3.159 20 10 GGCDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000113604763 1412321270 /nfs/dbraw/zinc/32/12/70/1412321270.db2.gz OSLWKPOWRQGNMV-ICSRJNTNSA-N 1 0 388.556 3.148 20 10 GGCDRO COc1cccc(C[NH2+][C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)c1O ZINC000113960567 1412359613 /nfs/dbraw/zinc/35/96/13/1412359613.db2.gz OFZXWGIMKOGHPX-HNNXBMFYSA-N 1 0 380.366 3.315 20 10 GGCDRO CC(=O)c1cc(F)cc(C[NH+]2CCC(C(=O)Nc3ccc(C)cn3)CC2)c1O ZINC000177263721 1428660488 /nfs/dbraw/zinc/66/04/88/1428660488.db2.gz UTOGGEKOSHOIHT-UHFFFAOYSA-N 1 0 385.439 3.288 20 10 GGCDRO COc1ccc(O)c([C@H](C)NC(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000114791945 1412525902 /nfs/dbraw/zinc/52/59/02/1412525902.db2.gz FVHQVSKSDUQDHU-FUHWJXTLSA-N 1 0 383.492 3.426 20 10 GGCDRO COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000114791944 1412526169 /nfs/dbraw/zinc/52/61/69/1412526169.db2.gz FVHQVSKSDUQDHU-AEFFLSMTSA-N 1 0 383.492 3.426 20 10 GGCDRO CCc1ccc(C(=O)NCCC[NH+]2CCN(c3ccc(OC)cc3)CC2)s1 ZINC000115343381 1412654038 /nfs/dbraw/zinc/65/40/38/1412654038.db2.gz UXYDLIXAHQDCDY-UHFFFAOYSA-N 1 0 387.549 3.261 20 10 GGCDRO Cc1cc(C(=O)CN2CCC([N@H+](C)CCCO)CC2)c(C)n1-c1ccccc1 ZINC000115547515 1412705499 /nfs/dbraw/zinc/70/54/99/1412705499.db2.gz LGXPGOWBGNWPLC-UHFFFAOYSA-N 1 0 383.536 3.055 20 10 GGCDRO CC(=O)c1cc(Cl)cc(C[N@H+](C)C[C@H](O)COCc2ccccc2)c1O ZINC000177283893 1428670430 /nfs/dbraw/zinc/67/04/30/1428670430.db2.gz ZAOKTHCNXJMBDA-SFHVURJKSA-N 1 0 377.868 3.258 20 10 GGCDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccccc2)C1=O)c1ccc(N2CCOCC2)cc1 ZINC000115598412 1412726882 /nfs/dbraw/zinc/72/68/82/1412726882.db2.gz GJUYQVRRWQITEQ-XMSQKQJNSA-N 1 0 379.504 3.369 20 10 GGCDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)N(C)Cc2ccc(N(C)C)cc2)[C@H](C)C1 ZINC000115702740 1412765772 /nfs/dbraw/zinc/76/57/72/1412765772.db2.gz XSIVLIITLOPURX-WIYYLYMNSA-N 1 0 390.572 3.031 20 10 GGCDRO Cc1cc(N(C)C)ccc1CNC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000115855088 1412802867 /nfs/dbraw/zinc/80/28/67/1412802867.db2.gz GXXKMGLHYLFXGB-UHFFFAOYSA-N 1 0 386.515 3.474 20 10 GGCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1ccccc1OCC(=O)NCC1CC1 ZINC000116344894 1412851585 /nfs/dbraw/zinc/85/15/85/1412851585.db2.gz DVMNUQFYDIAPBQ-UHFFFAOYSA-N 1 0 381.520 3.256 20 10 GGCDRO C[C@H](NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)c1ccc(N2CCOCC2)cc1 ZINC000116424747 1412858397 /nfs/dbraw/zinc/85/83/97/1412858397.db2.gz GEPDJBAOAVQCOT-PXNSSMCTSA-N 1 0 390.572 3.250 20 10 GGCDRO COc1ccc(N2CCC(NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CC2)cc1 ZINC000116438678 1412860493 /nfs/dbraw/zinc/86/04/93/1412860493.db2.gz KGHLUKJQXWPNKD-HXUWFJFHSA-N 1 0 390.572 3.330 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CSc4ccccc43)cc2F)CC1 ZINC000118224232 1413127849 /nfs/dbraw/zinc/12/78/49/1413127849.db2.gz GYWLFUVLINYWIF-GOSISDBHSA-N 1 0 399.535 3.473 20 10 GGCDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2cccnc2N2CCC(C(N)=O)CC2)cc1 ZINC000119054871 1413319143 /nfs/dbraw/zinc/31/91/43/1413319143.db2.gz GOQXLEVHNGKOCT-KRWDZBQOSA-N 1 0 395.551 3.090 20 10 GGCDRO C[C@H](c1ccccc1)[N@H+](CCN1C(=O)NC(C)(C)C1=O)Cc1ccccc1O ZINC000119275671 1413397001 /nfs/dbraw/zinc/39/70/01/1413397001.db2.gz FTKWJPOMZLYYSK-MRXNPFEDSA-N 1 0 381.476 3.286 20 10 GGCDRO C[C@H]([NH2+]CC(C)(C)N1C[C@@H](C)O[C@@H](C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000119483182 1413462515 /nfs/dbraw/zinc/46/25/15/1413462515.db2.gz OQFWLNWXRVNOLO-KSZLIROESA-N 1 0 393.547 3.201 20 10 GGCDRO O=C(/C=C/c1ccc(N2CCOCC2)cc1)NC1CC[NH+](C2CCCC2)CC1 ZINC000177430348 1428734210 /nfs/dbraw/zinc/73/42/10/1428734210.db2.gz QMHMCNYKPVLZCJ-JXMROGBWSA-N 1 0 383.536 3.060 20 10 GGCDRO CC(C)[N@H+](CC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)C1CCC1 ZINC000119703167 1413538594 /nfs/dbraw/zinc/53/85/94/1413538594.db2.gz WCCXVJCIQJPEKR-IRXDYDNUSA-N 1 0 391.531 3.318 20 10 GGCDRO C[NH+]1CCC(N2C(=O)/C(=C/c3ncccc3C(F)(F)F)SC2=S)CC1 ZINC000119791777 1413570636 /nfs/dbraw/zinc/57/06/36/1413570636.db2.gz CRAHAZLHNIECME-LCYFTJDESA-N 1 0 387.452 3.396 20 10 GGCDRO CC(C)[C@H](C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl)N1CCOCC1 ZINC000120055399 1413669725 /nfs/dbraw/zinc/66/97/25/1413669725.db2.gz TVKXTDDDAMPZKJ-UWJYYQICSA-N 1 0 395.975 3.184 20 10 GGCDRO CN(C)c1ccc(CN(CC(F)(F)F)C(=O)C[N@H+](C)[C@H]2CCSC2)cc1 ZINC000120366860 1413803388 /nfs/dbraw/zinc/80/33/88/1413803388.db2.gz YHVBBKXUULFRMR-INIZCTEOSA-N 1 0 389.487 3.081 20 10 GGCDRO COc1ccc([C@H](CCO)[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000120397488 1413809260 /nfs/dbraw/zinc/80/92/60/1413809260.db2.gz LMIUUTNIMYVPSZ-IERDGZPVSA-N 1 0 388.483 3.445 20 10 GGCDRO C[C@H](C(=O)NCCC1=CCCCC1)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000120860870 1413929681 /nfs/dbraw/zinc/92/96/81/1413929681.db2.gz VWNJZGQQYZUYIA-LJQANCHMSA-N 1 0 385.552 3.350 20 10 GGCDRO C[C@@H](C(=O)Nc1ccc(Cl)cn1)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000120864274 1413930284 /nfs/dbraw/zinc/93/02/84/1413930284.db2.gz SQWYQWQNTQKPRJ-HNNXBMFYSA-N 1 0 388.899 3.031 20 10 GGCDRO C[C@H](C(=O)Nc1ccc(Cl)cn1)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000120864434 1413930424 /nfs/dbraw/zinc/93/04/24/1413930424.db2.gz SQWYQWQNTQKPRJ-OAHLLOKOSA-N 1 0 388.899 3.031 20 10 GGCDRO COc1cc(OC)c(OC)cc1C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000120866301 1413931302 /nfs/dbraw/zinc/93/13/02/1413931302.db2.gz ZETFXFOJPSSDAY-UHFFFAOYSA-N 1 0 386.492 3.181 20 10 GGCDRO CCOCCC1(C(=O)NCc2ccc(N3CC[NH+](CC)CC3)c(F)c2)CCC1 ZINC000120959468 1413959780 /nfs/dbraw/zinc/95/97/80/1413959780.db2.gz FRVNDXNZEIVWDN-UHFFFAOYSA-N 1 0 391.531 3.181 20 10 GGCDRO COc1ccc(N2CCC[N@H+](Cn3nc(C)c4ccc([N+](=O)[O-])cc43)CC2)cc1 ZINC000121113605 1414012508 /nfs/dbraw/zinc/01/25/08/1414012508.db2.gz XOBLHSDBSBUOIK-UHFFFAOYSA-N 1 0 395.463 3.431 20 10 GGCDRO CCCN(CC(=O)Nc1ccccc1C)C(=O)CN(C)Cc1ccccc1O ZINC000121149059 1414025316 /nfs/dbraw/zinc/02/53/16/1414025316.db2.gz BUJXDFGWOQSSOR-UHFFFAOYSA-N 1 0 383.492 3.010 20 10 GGCDRO COc1ccc(N2CC[NH+](CCCNC(=O)N[C@H]3CCC[C@H](C)C3)CC2)cc1 ZINC000121195250 1414040679 /nfs/dbraw/zinc/04/06/79/1414040679.db2.gz QJUIMTFUGADSFW-OALUTQOASA-N 1 0 388.556 3.085 20 10 GGCDRO Cc1cc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)ccc1-n1cncn1 ZINC000121294430 1414074723 /nfs/dbraw/zinc/07/47/23/1414074723.db2.gz CJJHTUUZBQNDIG-UHFFFAOYSA-N 1 0 377.492 3.044 20 10 GGCDRO COc1cc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)cc(OC)c1OC ZINC000121319295 1414082065 /nfs/dbraw/zinc/08/20/65/1414082065.db2.gz DIOLXCZJWLCIPO-UHFFFAOYSA-N 1 0 386.492 3.181 20 10 GGCDRO CN(C)c1ccc(CN(C)C(=O)C[N@H+](CCO)[C@H]2CCCc3ccccc32)cc1 ZINC000121486756 1414145568 /nfs/dbraw/zinc/14/55/68/1414145568.db2.gz BFNPXRLRIURPFO-QHCPKHFHSA-N 1 0 395.547 3.083 20 10 GGCDRO CN(C)c1ccc(CN(C)C(=O)C[N@H+](CCO)[C@@H]2CCCc3ccccc32)cc1 ZINC000121486568 1414145659 /nfs/dbraw/zinc/14/56/59/1414145659.db2.gz BFNPXRLRIURPFO-HSZRJFAPSA-N 1 0 395.547 3.083 20 10 GGCDRO C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000122160457 1414376045 /nfs/dbraw/zinc/37/60/45/1414376045.db2.gz VPMXKGLWSOITHW-KRWDZBQOSA-N 1 0 390.574 3.192 20 10 GGCDRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000122166386 1414377769 /nfs/dbraw/zinc/37/77/69/1414377769.db2.gz KYZBABHIMSARHW-QZTJIDSGSA-N 1 0 393.503 3.198 20 10 GGCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)[C@H](C)c1ccc(F)c(F)c1)cc2=O ZINC000122207315 1414388420 /nfs/dbraw/zinc/38/84/20/1414388420.db2.gz DYZWTSXWRDDHPU-LLVKDONJSA-N 1 0 390.390 3.083 20 10 GGCDRO C[C@@H]([NH2+][C@@H](C)CS(=O)(=O)c1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000122216160 1414391582 /nfs/dbraw/zinc/39/15/82/1414391582.db2.gz OYRWLUWCHBVQOP-ZWKOTPCHSA-N 1 0 388.533 3.036 20 10 GGCDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)c3cccc4c3OCCO4)c2)CC1 ZINC000122247876 1414400453 /nfs/dbraw/zinc/40/04/53/1414400453.db2.gz GCECMQFMVCDXSF-UHFFFAOYSA-N 1 0 381.476 3.241 20 10 GGCDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3cccn3C(C)C)CC2)cc1 ZINC000122253176 1414402031 /nfs/dbraw/zinc/40/20/31/1414402031.db2.gz VDUQIYBQBQZXMD-UHFFFAOYSA-N 1 0 384.524 3.020 20 10 GGCDRO CC(=O)Nc1ccc(C(=O)Nc2cccc(N3CC[NH+](C(C)C)CC3)c2)cc1 ZINC000122277666 1414409319 /nfs/dbraw/zinc/40/93/19/1414409319.db2.gz BJJKVJXQHLTPBX-UHFFFAOYSA-N 1 0 380.492 3.428 20 10 GGCDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)c3ccc([S@@](C)=O)cc3)c2)CC1 ZINC000122343497 1414429023 /nfs/dbraw/zinc/42/90/23/1414429023.db2.gz PUCSTRJYXJVQEL-MHZLTWQESA-N 1 0 385.533 3.207 20 10 GGCDRO COc1ccc(O)c([C@H](C)NC(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)c1 ZINC000122622439 1414520573 /nfs/dbraw/zinc/52/05/73/1414520573.db2.gz FUOGUKMCRCWNIQ-INIZCTEOSA-N 1 0 398.503 3.096 20 10 GGCDRO FC(F)(F)c1cccnc1OCC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000122824767 1414574336 /nfs/dbraw/zinc/57/43/36/1414574336.db2.gz NZVKYWWQPYHHOB-UHFFFAOYSA-N 1 0 381.398 3.106 20 10 GGCDRO Fc1cc(C[NH2+]CCOc2ncccc2C(F)(F)F)ccc1N1CCOCC1 ZINC000122852305 1414580234 /nfs/dbraw/zinc/58/02/34/1414580234.db2.gz FOJAIDYZMMFZJB-UHFFFAOYSA-N 1 0 399.388 3.245 20 10 GGCDRO COc1ccc(N2CCN(C(=O)Nc3cccc(C[NH+](C)C)c3)CC2)cc1F ZINC000177641448 1428820023 /nfs/dbraw/zinc/82/00/23/1428820023.db2.gz ZAYFJHCMJCVHMK-UHFFFAOYSA-N 1 0 386.471 3.250 20 10 GGCDRO COc1cc([C@@H](C)[NH2+]Cc2ccc3c(c2)CCCN3C)ccc1S(C)(=O)=O ZINC000122932405 1414600339 /nfs/dbraw/zinc/60/03/39/1414600339.db2.gz SRFKGMCOGIAGKM-OAHLLOKOSA-N 1 0 388.533 3.332 20 10 GGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000122935256 1414600617 /nfs/dbraw/zinc/60/06/17/1414600617.db2.gz YSAXDQHMYZGAEZ-CQSZACIVSA-N 1 0 376.497 3.462 20 10 GGCDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)c3cc(F)cc4nc[nH]c43)c2)CC1 ZINC000123344101 1414701688 /nfs/dbraw/zinc/70/16/88/1414701688.db2.gz LZKWJKYLGSLIQD-UHFFFAOYSA-N 1 0 381.455 3.485 20 10 GGCDRO COc1ccc(N2CC[NH+](C[C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)cc1F ZINC000177712669 1428840110 /nfs/dbraw/zinc/84/01/10/1428840110.db2.gz JNJUCESXRRYZTK-INIZCTEOSA-N 1 0 393.503 3.213 20 10 GGCDRO COc1ccc(-c2noc(CN3CC[NH+](Cc4cc(C)ccc4O)CC3)n2)cc1 ZINC000124057353 1414877500 /nfs/dbraw/zinc/87/75/00/1414877500.db2.gz ZXFKWHVKLCINBZ-UHFFFAOYSA-N 1 0 394.475 3.077 20 10 GGCDRO C[C@@H]([NH2+][C@H](CO)Cc1c[nH]c2ccccc12)c1ccc(N2CCOCC2)c(F)c1 ZINC000124141286 1414893999 /nfs/dbraw/zinc/89/39/99/1414893999.db2.gz VEZTXEHWMDUBHX-APWZRJJASA-N 1 0 397.494 3.398 20 10 GGCDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000124145091 1414895058 /nfs/dbraw/zinc/89/50/58/1414895058.db2.gz RRYJXBHPGCLSRC-FQEVSTJZSA-N 1 0 395.551 3.221 20 10 GGCDRO CCC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000124359392 1414948936 /nfs/dbraw/zinc/94/89/36/1414948936.db2.gz XFQZTNHLKIGTII-SFHVURJKSA-N 1 0 399.457 3.033 20 10 GGCDRO Cc1cc(C(=O)CN2CC[NH+](C3CCOCC3)CC2)c(C)n1-c1ccccc1C ZINC000177751231 1428850118 /nfs/dbraw/zinc/85/01/18/1428850118.db2.gz DJRSYMYWCFHPMK-UHFFFAOYSA-N 1 0 395.547 3.382 20 10 GGCDRO O=C(CN1CC[NH+](Cc2c(O)ccc3ccccc32)CC1)Nc1ccccc1F ZINC000124402180 1414958685 /nfs/dbraw/zinc/95/86/85/1414958685.db2.gz HCRQYBKNVFSKKP-UHFFFAOYSA-N 1 0 393.462 3.441 20 10 GGCDRO C[C@H]([NH2+][C@@H]1CC(=O)N(c2ccccc2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000177795984 1428860070 /nfs/dbraw/zinc/86/00/70/1428860070.db2.gz QZWSOXGFKXOTDL-FUHWJXTLSA-N 1 0 383.467 3.118 20 10 GGCDRO CCS(=O)(=O)N1CCC([NH2+][C@H](C)c2ccc(N3CCCCC3)c(F)c2)CC1 ZINC000177855794 1428874032 /nfs/dbraw/zinc/87/40/32/1428874032.db2.gz DNPJGVHZSZVAKB-MRXNPFEDSA-N 1 0 397.560 3.281 20 10 GGCDRO CCS(=O)(=O)N1CCC([NH2+][C@@H](C)c2ccc(N3CCCCC3)c(F)c2)CC1 ZINC000177855783 1428874074 /nfs/dbraw/zinc/87/40/74/1428874074.db2.gz DNPJGVHZSZVAKB-INIZCTEOSA-N 1 0 397.560 3.281 20 10 GGCDRO CCS(=O)(=O)N1CCC([NH2+][C@H](C)c2ccc(N3CCCCC3)cc2)CC1 ZINC000177857714 1428874863 /nfs/dbraw/zinc/87/48/63/1428874863.db2.gz AQOAINZXAJVHDQ-QGZVFWFLSA-N 1 0 379.570 3.142 20 10 GGCDRO COc1ccc(C(=O)N2CCN(Cc3cc(Cl)ccc3O)CC2)cc1OC ZINC000125474399 1415209834 /nfs/dbraw/zinc/20/98/34/1415209834.db2.gz ZZSQUJPRXJSRIC-UHFFFAOYSA-N 1 0 390.867 3.021 20 10 GGCDRO CCOC(=O)N[C@@H](C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1)CC(C)C ZINC000125549861 1415224473 /nfs/dbraw/zinc/22/44/73/1415224473.db2.gz WCLAPNTWGPSGHN-SJLPKXTDSA-N 1 0 395.519 3.474 20 10 GGCDRO Cc1nccn1-c1ccc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)cn1 ZINC000126495145 1415470015 /nfs/dbraw/zinc/47/00/15/1415470015.db2.gz UBYDQEMAOMDGEI-INIZCTEOSA-N 1 0 395.482 3.402 20 10 GGCDRO CCOc1ccc(O)c(CNc2ccc(CC[NH+]3CCC(C(N)=O)CC3)cc2)c1 ZINC000126538499 1415482179 /nfs/dbraw/zinc/48/21/79/1415482179.db2.gz MFZPUVAERHBVGV-UHFFFAOYSA-N 1 0 397.519 3.143 20 10 GGCDRO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000127150821 1415673165 /nfs/dbraw/zinc/67/31/65/1415673165.db2.gz UCHRTVIACWCVKG-QGZVFWFLSA-N 1 0 395.482 3.436 20 10 GGCDRO Cc1ccccc1CN(C)C(=O)[C@H](C)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000127221392 1415692494 /nfs/dbraw/zinc/69/24/94/1415692494.db2.gz IJPIUJXPBGXFOE-FQEVSTJZSA-N 1 0 395.547 3.311 20 10 GGCDRO Cc1cc(C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)c(C)n1-c1ccc(F)cc1 ZINC000178107061 1428984643 /nfs/dbraw/zinc/98/46/43/1428984643.db2.gz GAVKTKBPWZBECP-SFHVURJKSA-N 1 0 385.483 3.028 20 10 GGCDRO C[C@@H](CNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)C[NH+]1CCCCC1 ZINC000127457550 1415785697 /nfs/dbraw/zinc/78/56/97/1415785697.db2.gz QTIKOZXUINGCBS-AZUAARDMSA-N 1 0 389.540 3.205 20 10 GGCDRO C[C@H](CNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)C[NH+]1CCCCC1 ZINC000127457312 1415786038 /nfs/dbraw/zinc/78/60/38/1415786038.db2.gz QTIKOZXUINGCBS-QUCCMNQESA-N 1 0 389.540 3.205 20 10 GGCDRO O=C(NCc1ccc(N2CC=CC2)cc1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000127961346 1415884140 /nfs/dbraw/zinc/88/41/40/1415884140.db2.gz FLTDUHIBFJXMSP-DENIHFKCSA-N 1 0 380.536 3.221 20 10 GGCDRO O=C(C[NH2+][C@@H](c1ccccc1)C1CC1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000128022101 1415894977 /nfs/dbraw/zinc/89/49/77/1415894977.db2.gz OJSXAICTCOUVNQ-QHCPKHFHSA-N 1 0 397.494 3.019 20 10 GGCDRO C[C@@H]([NH2+]CCc1ccc(S(N)(=O)=O)cc1)c1ccc(N2CCCCC2)cc1 ZINC000128070765 1415905449 /nfs/dbraw/zinc/90/54/49/1415905449.db2.gz SPFVJRKIFRPMHP-QGZVFWFLSA-N 1 0 387.549 3.218 20 10 GGCDRO Oc1ccccc1C[N@H+](C[C@H](O)COc1cccc2[nH]ccc21)C[C@@H]1CCCO1 ZINC000128423623 1415983740 /nfs/dbraw/zinc/98/37/40/1415983740.db2.gz YWPRSGNLNSXVDY-OALUTQOASA-N 1 0 396.487 3.294 20 10 GGCDRO C[C@H]([NH2+]CC1CCN(S(C)(=O)=O)CC1)c1ccc(N2CCCCCC2)cc1 ZINC000178263839 1429037431 /nfs/dbraw/zinc/03/74/31/1429037431.db2.gz RNRUZDPWJLMVLP-SFHVURJKSA-N 1 0 393.597 3.389 20 10 GGCDRO C[C@H]([NH2+]CCC(=O)N1CCN(c2ccccc2)CC1)c1ccc(N(C)C)cc1 ZINC000128531477 1416006990 /nfs/dbraw/zinc/00/69/90/1416006990.db2.gz OLGPGVYWKMALQR-IBGZPJMESA-N 1 0 380.536 3.142 20 10 GGCDRO C[C@H]([NH2+]CCC(=O)N1CCCCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000129160098 1416159540 /nfs/dbraw/zinc/15/95/40/1416159540.db2.gz QEQWHUOQLABZQA-KRWDZBQOSA-N 1 0 377.504 3.106 20 10 GGCDRO C[C@H]([NH2+]CCC(=O)NCc1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000129339593 1416193610 /nfs/dbraw/zinc/19/36/10/1416193610.db2.gz LRHNWKLRKZOSAJ-KRWDZBQOSA-N 1 0 385.483 3.019 20 10 GGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2ccccc2S(=O)(=O)N(C)C)cc1 ZINC000129877711 1416278294 /nfs/dbraw/zinc/27/82/94/1416278294.db2.gz XBZXWYNARWCTTP-MRXNPFEDSA-N 1 0 375.538 3.244 20 10 GGCDRO CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000129924523 1416285458 /nfs/dbraw/zinc/28/54/58/1416285458.db2.gz XLKDSRZVRVSCLO-SWLSCSKDSA-N 1 0 396.329 3.311 20 10 GGCDRO CCN(CC)C(=O)C[C@@H](C)[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000130095888 1416317014 /nfs/dbraw/zinc/31/70/14/1416317014.db2.gz LCWHBKOVPJPPBE-HZPDHXFCSA-N 1 0 383.483 3.493 20 10 GGCDRO O=C(NCCCSc1nccs1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000130123539 1416322584 /nfs/dbraw/zinc/32/25/84/1416322584.db2.gz FJZQZMUTTZWWJQ-ZBFHGGJFSA-N 1 0 380.583 3.284 20 10 GGCDRO CCC[N@H+](CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1ccccc1O ZINC000130726538 1416435541 /nfs/dbraw/zinc/43/55/41/1416435541.db2.gz LPYDQDZEFVGKJW-UHFFFAOYSA-N 1 0 383.492 3.080 20 10 GGCDRO Oc1ccc(Cl)cc1C[NH2+]C[C@H](O)COc1ccccc1Br ZINC000131004679 1416494653 /nfs/dbraw/zinc/49/46/53/1416494653.db2.gz UBBQEYCMFWLCPD-ZDUSSCGKSA-N 1 0 386.673 3.338 20 10 GGCDRO C[C@@H]([NH2+][C@@H]1CCCN(Cc2ccccc2)C1=O)c1ccc(N2CCOCC2)cc1 ZINC000131030911 1416498553 /nfs/dbraw/zinc/49/85/53/1416498553.db2.gz LTGKFXGNWLPRKH-AUSIDOKSSA-N 1 0 393.531 3.365 20 10 GGCDRO CC(C)(C)OC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000131416221 1416554501 /nfs/dbraw/zinc/55/45/01/1416554501.db2.gz CDDWQYRMNDYMTM-OALUTQOASA-N 1 0 389.540 3.449 20 10 GGCDRO Cc1cc(C(=O)NCCCC[N@@H+]2CCC[C@H]2CO)c(C)n1-c1ccc(F)cc1 ZINC000131692034 1416598402 /nfs/dbraw/zinc/59/84/02/1416598402.db2.gz NMQTWULTSRBLFC-FQEVSTJZSA-N 1 0 387.499 3.200 20 10 GGCDRO CCC(CC)[C@H](C[NH2+]C1CCN(c2ccc(OC)cc2)CC1)N1CCOCC1 ZINC000131788472 1416620703 /nfs/dbraw/zinc/62/07/03/1416620703.db2.gz BZCOMUZIIAQOCC-QHCPKHFHSA-N 1 0 389.584 3.391 20 10 GGCDRO Cc1cc(C(=O)N2CC[C@@H](C[NH3+])C2)c(C)n1-c1ccc(Br)cc1 ZINC000178583244 1429114433 /nfs/dbraw/zinc/11/44/33/1429114433.db2.gz IKTXGKHPBKHUPK-AWEZNQCLSA-N 1 0 376.298 3.277 20 10 GGCDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2ccc(CS(=O)(=O)NC)cc2)cc1 ZINC000131885114 1416641988 /nfs/dbraw/zinc/64/19/88/1416641988.db2.gz DPNYYOFGSXIVMD-INIZCTEOSA-N 1 0 375.538 3.043 20 10 GGCDRO CNS(=O)(=O)c1cccc(C[NH2+][C@H](C)c2ccc(N3CCCCC3)cc2)c1 ZINC000131938569 1416655583 /nfs/dbraw/zinc/65/55/83/1416655583.db2.gz QMULIKYJYNUFDR-QGZVFWFLSA-N 1 0 387.549 3.436 20 10 GGCDRO COc1cc([C@@H](C)[NH2+]CCCSc2nccs2)ccc1S(C)(=O)=O ZINC000132227495 1416720298 /nfs/dbraw/zinc/72/02/98/1416720298.db2.gz CDSJKVXQQQEXJO-GFCCVEGCSA-N 1 0 386.564 3.388 20 10 GGCDRO C[C@H]([NH2+]CCNC(=O)OC(C)(C)C)c1ccc(N2CCOCC2)cc1Cl ZINC000132852037 1416823334 /nfs/dbraw/zinc/82/33/34/1416823334.db2.gz XSENSINVIIWQEK-AWEZNQCLSA-N 1 0 383.920 3.352 20 10 GGCDRO C[C@H]([NH2+]C[C@H](Cc1ccccc1)N(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000132873372 1416825660 /nfs/dbraw/zinc/82/56/60/1416825660.db2.gz ZCZRYJFIONRJGS-RXVVDRJESA-N 1 0 385.527 3.486 20 10 GGCDRO C[C@@H]([NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccc(N2CCOCC2)cc1 ZINC000178666129 1429132400 /nfs/dbraw/zinc/13/24/00/1429132400.db2.gz MIWFYIPMKXRKLL-IAGOWNOFSA-N 1 0 388.533 3.339 20 10 GGCDRO C[C@H]([NH2+]CCN1CCc2sccc2C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000132907884 1416829860 /nfs/dbraw/zinc/82/98/60/1416829860.db2.gz OEOSCSCAZWAEPT-INIZCTEOSA-N 1 0 389.540 3.433 20 10 GGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)cc1C ZINC000133137782 1416856095 /nfs/dbraw/zinc/85/60/95/1416856095.db2.gz RFIGGJHCCBQRSV-NRFANRHFSA-N 1 0 394.563 3.438 20 10 GGCDRO Cn1ccc(N2CCC[C@@H]([N@H+](C)Cc3ccc(N4CCCCC4)cc3)C2=O)n1 ZINC000133607461 1416917553 /nfs/dbraw/zinc/91/75/53/1416917553.db2.gz HOOROIPGEAPPBA-HXUWFJFHSA-N 1 0 381.524 3.038 20 10 GGCDRO Cc1ccc(N2CC[C@H]([N@H+](C)Cc3ccc(N4CCOCC4)cc3)C2=O)cc1 ZINC000133665314 1416934458 /nfs/dbraw/zinc/93/44/58/1416934458.db2.gz DRGKCFAUPXBPPK-QFIPXVFZSA-N 1 0 379.504 3.069 20 10 GGCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000133708583 1416947795 /nfs/dbraw/zinc/94/77/95/1416947795.db2.gz PWIAJOGLFMSWEW-OAQYLSRUSA-N 1 0 399.922 3.414 20 10 GGCDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2ccc(S(=O)(=O)N(C)C)cc2)cc1 ZINC000133827232 1416970927 /nfs/dbraw/zinc/97/09/27/1416970927.db2.gz NAGSHNXHLDCNTG-INIZCTEOSA-N 1 0 375.538 3.244 20 10 GGCDRO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1ccc[nH]c1=S ZINC000134258981 1417045854 /nfs/dbraw/zinc/04/58/54/1417045854.db2.gz ZTIBYUOTXSDWSY-AWEZNQCLSA-N 1 0 377.897 3.124 20 10 GGCDRO C[C@@H]1CC[C@H](CCC(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)O1 ZINC000134263093 1417046493 /nfs/dbraw/zinc/04/64/93/1417046493.db2.gz KFJYFXQKCQQKSS-ZTFGCOKTSA-N 1 0 380.916 3.474 20 10 GGCDRO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1ccc(Cl)nc1 ZINC000134264846 1417046540 /nfs/dbraw/zinc/04/65/40/1417046540.db2.gz GEKUIEPTKBZGSI-HNNXBMFYSA-N 1 0 380.275 3.488 20 10 GGCDRO Cc1noc(C)c1CCC(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134264958 1417046574 /nfs/dbraw/zinc/04/65/74/1417046574.db2.gz MUNRUHXIAFGYGN-QGZVFWFLSA-N 1 0 391.899 3.364 20 10 GGCDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000178730673 1429154248 /nfs/dbraw/zinc/15/42/48/1429154248.db2.gz QUFYFELIRFVEQK-AWEZNQCLSA-N 1 0 389.427 3.430 20 10 GGCDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)cc1 ZINC000134811695 1417130336 /nfs/dbraw/zinc/13/03/36/1417130336.db2.gz LRWKRPSMQVANEH-YADHBBJMSA-N 1 0 399.510 3.096 20 10 GGCDRO C[C@@H]([NH2+]Cc1ccc(-n2cncn2)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000178743856 1429159186 /nfs/dbraw/zinc/15/91/86/1429159186.db2.gz SOYIHGWDMYGJEP-MRXNPFEDSA-N 1 0 381.455 3.094 20 10 GGCDRO COc1cccc(C[NH2+]C[C@H](CO)Cc2ccc(OC(F)(F)F)cc2)c1O ZINC000136500469 1417321471 /nfs/dbraw/zinc/32/14/71/1417321471.db2.gz ZJHXSZCXDQQCEN-CQSZACIVSA-N 1 0 385.382 3.240 20 10 GGCDRO Cc1ccc(C)n1-c1ccsc1C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000136963948 1417358540 /nfs/dbraw/zinc/35/85/40/1417358540.db2.gz LTKSUDURPNZSMC-QGZVFWFLSA-N 1 0 387.549 3.386 20 10 GGCDRO Cc1cc(C(=O)CN2CC[NH+](C[C@@H]3CCOC3)CC2)c(C)n1-c1cccc(F)c1 ZINC000178820781 1429183511 /nfs/dbraw/zinc/18/35/11/1429183511.db2.gz JFGCHINFSUHFQL-IBGZPJMESA-N 1 0 399.510 3.070 20 10 GGCDRO COc1ccc(N2CCN(C(=O)c3cccc(C[NH+]4CCCC4)c3)CC2)cc1 ZINC000139248802 1417453946 /nfs/dbraw/zinc/45/39/46/1417453946.db2.gz AOLDWLQICCXHBJ-UHFFFAOYSA-N 1 0 379.504 3.253 20 10 GGCDRO CC(C)[C@H]1CCC[N@@H+]1CC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000140594576 1417508067 /nfs/dbraw/zinc/50/80/67/1417508067.db2.gz CFIMODOVPADGRU-FUHIMQAGSA-N 1 0 391.531 3.176 20 10 GGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000151075422 1417867759 /nfs/dbraw/zinc/86/77/59/1417867759.db2.gz XOEUHEDGRWKQGX-GOSISDBHSA-N 1 0 399.510 3.350 20 10 GGCDRO Fc1cc(C[NH2+]CCNc2ccc3ccccc3n2)ccc1N1CCOCC1 ZINC000151149642 1417882812 /nfs/dbraw/zinc/88/28/12/1417882812.db2.gz POHZSEGRHZDLCP-UHFFFAOYSA-N 1 0 380.467 3.412 20 10 GGCDRO C[NH+](C)[C@@H](CNC(=O)NCCCSc1nccs1)c1cccc(F)c1 ZINC000151698836 1418065371 /nfs/dbraw/zinc/06/53/71/1418065371.db2.gz AXHVNNBSCIUARJ-HNNXBMFYSA-N 1 0 382.530 3.367 20 10 GGCDRO COc1ccc(N2CC[NH+](CCCNC(=O)Nc3ccc(C)nc3C)CC2)cc1 ZINC000152190456 1418169240 /nfs/dbraw/zinc/16/92/40/1418169240.db2.gz GKGLUPAACIFADA-UHFFFAOYSA-N 1 0 397.523 3.041 20 10 GGCDRO Cc1cc(C(=O)N(C)[C@H]2CC[NH2+]C2)c(C)n1-c1cccc(Br)c1 ZINC000179109285 1429265471 /nfs/dbraw/zinc/26/54/71/1429265471.db2.gz VPYURGDMVZVIIR-INIZCTEOSA-N 1 0 376.298 3.291 20 10 GGCDRO CCCCNC(=O)C1CC[NH+](Cc2cc(Br)cc(OC)c2O)CC1 ZINC000179329740 1429330260 /nfs/dbraw/zinc/33/02/60/1429330260.db2.gz NROSBNMMJFABTE-UHFFFAOYSA-N 1 0 399.329 3.292 20 10 GGCDRO C[C@@H]([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)c1cccc(OC(F)F)c1 ZINC000179582809 1429451855 /nfs/dbraw/zinc/45/18/55/1429451855.db2.gz JWJPYCVGFMUXKV-CQSZACIVSA-N 1 0 377.435 3.321 20 10 GGCDRO COc1cc(C)c([C@@H](C)[NH2+]CC(=O)NCc2ccc(N(C)C)cc2)cc1OC ZINC000179623873 1429476154 /nfs/dbraw/zinc/47/61/54/1429476154.db2.gz CDBNLEXZBKDTHG-MRXNPFEDSA-N 1 0 385.508 3.045 20 10 GGCDRO CCS(=O)(=O)NCCC[N@H+](Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000179644257 1429486381 /nfs/dbraw/zinc/48/63/81/1429486381.db2.gz URBDENWEWPZCQT-KRWDZBQOSA-N 1 0 376.522 3.285 20 10 GGCDRO C[NH+](C)[C@@H](CNC(=O)NCCCSc1nccs1)c1ccc(F)cc1 ZINC000152603968 1422159415 /nfs/dbraw/zinc/15/94/15/1422159415.db2.gz HCWMFFIAWDTCID-HNNXBMFYSA-N 1 0 382.530 3.367 20 10 GGCDRO C[NH+](C)[C@H](CNC(=O)NCCCSc1nccs1)c1ccc(F)cc1 ZINC000152604041 1422160118 /nfs/dbraw/zinc/16/01/18/1422160118.db2.gz HCWMFFIAWDTCID-OAHLLOKOSA-N 1 0 382.530 3.367 20 10 GGCDRO C[NH+](C)CCCNC(=O)CSc1ncc(-c2ccccc2)n1Cc1ccco1 ZINC000179749022 1429537007 /nfs/dbraw/zinc/53/70/07/1429537007.db2.gz DWCLSSOCRYRSTG-UHFFFAOYSA-N 1 0 398.532 3.351 20 10 GGCDRO COc1ccc(O)c([C@@H](C)NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000179752859 1429539043 /nfs/dbraw/zinc/53/90/43/1429539043.db2.gz ATUQWPALFRYMFR-OAHLLOKOSA-N 1 0 384.480 3.073 20 10 GGCDRO C[C@@H]([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)c1ccc(NC(=O)C2CC2)cc1 ZINC000179766295 1429548673 /nfs/dbraw/zinc/54/86/73/1429548673.db2.gz SURYVFQWLVFWNF-MRXNPFEDSA-N 1 0 394.519 3.068 20 10 GGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCOc2ccc(S(C)(=O)=O)cc2)cc1 ZINC000153077519 1422348497 /nfs/dbraw/zinc/34/84/97/1422348497.db2.gz JZYKXPOVGBZCHV-INIZCTEOSA-N 1 0 376.522 3.276 20 10 GGCDRO CC[C@@H]([NH2+]CCOc1ccc(S(C)(=O)=O)cc1)c1ccc(N(C)C)cc1 ZINC000153110619 1422360905 /nfs/dbraw/zinc/36/09/05/1422360905.db2.gz FVZVEHJCRGPMTB-HXUWFJFHSA-N 1 0 376.522 3.276 20 10 GGCDRO Cc1c(O)ccc2c(C[N@H+](C)Cc3ccc(N4CCOCC4)cc3)cc(=O)oc12 ZINC000153208800 1422393918 /nfs/dbraw/zinc/39/39/18/1422393918.db2.gz RWYKRIDDWFMPDB-UHFFFAOYSA-N 1 0 394.471 3.276 20 10 GGCDRO CCOc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000153317904 1422466670 /nfs/dbraw/zinc/46/66/70/1422466670.db2.gz KLKGPPPHJQQAOG-SFHVURJKSA-N 1 0 397.519 3.381 20 10 GGCDRO Cc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccc(N3CCOCC3)cc2)cc1F ZINC000153345407 1422482034 /nfs/dbraw/zinc/48/20/34/1422482034.db2.gz UXBHZIDESMMPLS-KRWDZBQOSA-N 1 0 385.483 3.430 20 10 GGCDRO O=C(/C=C/c1ccc(N2CCOCC2)cc1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000154029204 1422828428 /nfs/dbraw/zinc/82/84/28/1422828428.db2.gz YYDLJFIVBATOCA-RLUYAJEASA-N 1 0 395.547 3.012 20 10 GGCDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000154101526 1422840412 /nfs/dbraw/zinc/84/04/12/1422840412.db2.gz SIJKZASURNZXJF-UXHICEINSA-N 1 0 389.540 3.347 20 10 GGCDRO COc1cccc(C[NH2+][C@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)c1O ZINC000154339171 1422874994 /nfs/dbraw/zinc/87/49/94/1422874994.db2.gz ZJFOHZKGKVTEAH-RTBURBONSA-N 1 0 376.884 3.216 20 10 GGCDRO Oc1ccccc1CN(Cc1ccco1)Cc1cnc(N2CCOCC2)s1 ZINC000154715253 1423009318 /nfs/dbraw/zinc/00/93/18/1423009318.db2.gz PHBPIOZCLDUKHG-UHFFFAOYSA-N 1 0 385.489 3.481 20 10 GGCDRO CC[C@@H]([NH2+]Cc1cccc(NC(=O)CCN2CCOCC2)c1)c1ccccc1O ZINC000155232557 1423262264 /nfs/dbraw/zinc/26/22/64/1423262264.db2.gz ZSFLDCGDURDIQH-OAQYLSRUSA-N 1 0 397.519 3.294 20 10 GGCDRO CN(C)c1ccc(CN(C)C(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)cc1 ZINC000155448918 1423368377 /nfs/dbraw/zinc/36/83/77/1423368377.db2.gz RWCJWAHCMNDHOL-UHFFFAOYSA-N 1 0 395.547 3.229 20 10 GGCDRO Cc1cccc(C[N@@H+]2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)c1O ZINC000179916433 1429639399 /nfs/dbraw/zinc/63/93/99/1429639399.db2.gz GAMJCBRPQHDTRT-FQEVSTJZSA-N 1 0 380.536 3.130 20 10 GGCDRO COc1ccc(CCC(=O)N2CCC[N@H+](Cc3cccc(C)c3O)CC2)cc1 ZINC000179934486 1429650268 /nfs/dbraw/zinc/65/02/68/1429650268.db2.gz QFTBGSRAOKCXSC-UHFFFAOYSA-N 1 0 382.504 3.376 20 10 GGCDRO C[C@@H]([NH2+]CCCN(C)CC(F)(F)F)c1ccc(N2CCOCC2)c(F)c1 ZINC000156368210 1423800414 /nfs/dbraw/zinc/80/04/14/1423800414.db2.gz QFXQHGBYYJMINI-CQSZACIVSA-N 1 0 377.426 3.197 20 10 GGCDRO CCNC(=O)c1ccc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000156492815 1423818113 /nfs/dbraw/zinc/81/81/13/1423818113.db2.gz LZMCEONHEIFUOY-MRXNPFEDSA-N 1 0 385.483 3.263 20 10 GGCDRO CC[C@H]([NH2+]C1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1ccccc1O ZINC000156614734 1423835953 /nfs/dbraw/zinc/83/59/53/1423835953.db2.gz GNVMETUSLJWOQY-FQEVSTJZSA-N 1 0 388.533 3.427 20 10 GGCDRO CN1CCN(c2ncc(C[N@H+](Cc3ccccc3O)C3CCCCC3)cn2)CC1 ZINC000156780690 1423863442 /nfs/dbraw/zinc/86/34/42/1423863442.db2.gz FSLVEOZQNZEJNU-UHFFFAOYSA-N 1 0 395.551 3.269 20 10 GGCDRO CC[N@H+](CCS(C)(=O)=O)Cc1c(O)ccc2cc(Br)ccc21 ZINC000156937386 1423889468 /nfs/dbraw/zinc/88/94/68/1423889468.db2.gz KUYTXTYOIIWDMV-UHFFFAOYSA-N 1 0 386.311 3.174 20 10 GGCDRO CCC[N@H+](Cc1ccccc1O)[C@@H](C)C(=O)NCc1ccc(C(=O)OC)cc1 ZINC000157067246 1423916289 /nfs/dbraw/zinc/91/62/89/1423916289.db2.gz HUZOUBNTISHAOH-INIZCTEOSA-N 1 0 384.476 3.096 20 10 GGCDRO C[C@H]([NH2+]CCCOCC1CCOCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000157565449 1424039101 /nfs/dbraw/zinc/03/91/01/1424039101.db2.gz VERGVPULKDDUGR-KRWDZBQOSA-N 1 0 380.504 3.146 20 10 GGCDRO CC(C)N(CC[NH+](C)C)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000158360556 1424236057 /nfs/dbraw/zinc/23/60/57/1424236057.db2.gz NGNGQRPNZCEFOM-UHFFFAOYSA-N 1 0 398.498 3.238 20 10 GGCDRO CCCC[NH+]1CCC(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)CC1 ZINC000158567879 1424291854 /nfs/dbraw/zinc/29/18/54/1424291854.db2.gz ZCGUPYHHLMLNRN-HXUWFJFHSA-N 1 0 389.540 3.347 20 10 GGCDRO Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@H+](Cc3cc(F)ccc3O)C2)cc1 ZINC000180057590 1429717692 /nfs/dbraw/zinc/71/76/92/1429717692.db2.gz NTQGKEYUSLOBIU-INIZCTEOSA-N 1 0 392.496 3.030 20 10 GGCDRO CCc1cc(N2CCC([NH2+]C3CCN(c4ccc(OC)cc4)CC3)CC2)ncn1 ZINC000159065566 1424408637 /nfs/dbraw/zinc/40/86/37/1424408637.db2.gz SPHYFYPTCVBXEZ-UHFFFAOYSA-N 1 0 395.551 3.275 20 10 GGCDRO CC(C)N(CC[NH+](C)C)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000159274231 1424468614 /nfs/dbraw/zinc/46/86/14/1424468614.db2.gz PHSNIXKRGJRIOC-INIZCTEOSA-N 1 0 398.498 3.238 20 10 GGCDRO CC(=O)Nc1ccc(OC[C@@H](O)C[N@H+](Cc2cc(F)ccc2O)C(C)C)cc1 ZINC000180089694 1429732204 /nfs/dbraw/zinc/73/22/04/1429732204.db2.gz FRKZCEYXVWINAU-IBGZPJMESA-N 1 0 390.455 3.140 20 10 GGCDRO COc1cc(C[NH+]2CCC(NC(=O)NC3CCCCC3)CC2)c(O)cc1C ZINC000159957144 1424556736 /nfs/dbraw/zinc/55/67/36/1424556736.db2.gz HXPQXNYSTRVWSW-UHFFFAOYSA-N 1 0 375.513 3.306 20 10 GGCDRO COc1cc(O)c(C[NH+]2CCC(c3nc(-c4ccccn4)no3)CC2)cc1OC ZINC000160105749 1424574080 /nfs/dbraw/zinc/57/40/80/1424574080.db2.gz XYHVWSUNDBNUMG-UHFFFAOYSA-N 1 0 396.447 3.234 20 10 GGCDRO CN(C)C(=O)COc1ccccc1C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000160191062 1424585331 /nfs/dbraw/zinc/58/53/31/1424585331.db2.gz AYYVAKDGUYZUES-FQEVSTJZSA-N 1 0 398.503 3.040 20 10 GGCDRO Oc1ccccc1C[N@@H+](Cc1ccccc1N1CCOCC1)C[C@@H]1CCCO1 ZINC000160198383 1424586455 /nfs/dbraw/zinc/58/64/55/1424586455.db2.gz VOLLKAKNGPXYCD-NRFANRHFSA-N 1 0 382.504 3.410 20 10 GGCDRO CCN(C[C@H]1CC[N@H+](Cc2cc(OC)c(OC)cc2O)C1)CC(F)(F)F ZINC000160350835 1424596855 /nfs/dbraw/zinc/59/68/55/1424596855.db2.gz JIIDPSVSTKCQHD-CYBMUJFWSA-N 1 0 376.419 3.116 20 10 GGCDRO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(N(C)C)cc1 ZINC000160421665 1424603169 /nfs/dbraw/zinc/60/31/69/1424603169.db2.gz JRALHBGWLXBMGW-KRWDZBQOSA-N 1 0 387.549 3.388 20 10 GGCDRO C[C@H]([NH2+]Cc1ccc(CN2CCOCC2)cc1)c1ccc(N2CCOCC2)cc1 ZINC000160565986 1424614019 /nfs/dbraw/zinc/61/40/19/1424614019.db2.gz ZWGSAPVZPWZSMN-FQEVSTJZSA-N 1 0 395.547 3.206 20 10 GGCDRO C[C@@H]([NH2+][C@@H](C)C(=O)NCc1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000161215530 1424667855 /nfs/dbraw/zinc/66/78/55/1424667855.db2.gz JXFWRROCSXLKIU-SJORKVTESA-N 1 0 385.483 3.018 20 10 GGCDRO CC[C@@H]([NH2+][C@H](C)c1cccc(S(=O)(=O)NC)c1)c1ccc(N(C)C)cc1 ZINC000161448934 1424689996 /nfs/dbraw/zinc/68/99/96/1424689996.db2.gz CHQRVVDZHSQQQS-FOIQADDNSA-N 1 0 375.538 3.463 20 10 GGCDRO CC[C@@H]([NH2+][C@@H](C)c1cccc(S(=O)(=O)NC)c1)c1ccc(N(C)C)cc1 ZINC000161448699 1424690521 /nfs/dbraw/zinc/69/05/21/1424690521.db2.gz CHQRVVDZHSQQQS-MGPUTAFESA-N 1 0 375.538 3.463 20 10 GGCDRO C[C@H](C(=O)N(C)Cc1cccc(F)c1)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000161967562 1424804281 /nfs/dbraw/zinc/80/42/81/1424804281.db2.gz XHHBSAARMKUDSM-GOSISDBHSA-N 1 0 399.510 3.141 20 10 GGCDRO COc1ccc(N2CCC([NH2+]C3CCN(c4cc(C)nc(C)n4)CC3)CC2)cc1 ZINC000162267307 1424832691 /nfs/dbraw/zinc/83/26/91/1424832691.db2.gz GOEFBBMPZVOTEN-UHFFFAOYSA-N 1 0 395.551 3.329 20 10 GGCDRO C[C@@H]1CN(c2ccc(CNC(=O)C[NH2+][C@@H]3CCCC[C@@H]3C)cc2F)C[C@H](C)O1 ZINC000162319924 1424837410 /nfs/dbraw/zinc/83/74/10/1424837410.db2.gz WFNZCGVNTVDVSD-MIALQEHNSA-N 1 0 391.531 3.224 20 10 GGCDRO COc1ccc(N2CCN(CCC[NH2+][C@H](C)CC3CCOCC3)CC2)cc1 ZINC000162835853 1424894709 /nfs/dbraw/zinc/89/47/09/1424894709.db2.gz UEKRPHBKVHXNAR-LJQANCHMSA-N 1 0 375.557 3.002 20 10 GGCDRO CC[S@@](=O)[C@H]1CCC[C@H]([NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)C1 ZINC000163005266 1424922317 /nfs/dbraw/zinc/92/23/17/1424922317.db2.gz MENQJRPFKRZUDK-ZTFHHKLNSA-N 1 0 382.545 3.393 20 10 GGCDRO C[C@H]([NH2+]C[C@@H]1CCN(CC(F)(F)F)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000163118546 1424944544 /nfs/dbraw/zinc/94/45/44/1424944544.db2.gz KWENKQLYMGMHSN-GJZGRUSLSA-N 1 0 389.437 3.197 20 10 GGCDRO C[C@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)c1cccc(-n2cnnn2)c1 ZINC000163575154 1425020212 /nfs/dbraw/zinc/02/02/12/1425020212.db2.gz RDZLOKJKTQGIRC-INIZCTEOSA-N 1 0 380.521 3.066 20 10 GGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)c1ccc(-n2cnnn2)cc1 ZINC000163636652 1425026963 /nfs/dbraw/zinc/02/69/63/1425026963.db2.gz HVIJTDROWDEZPC-MRXNPFEDSA-N 1 0 380.521 3.066 20 10 GGCDRO COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)C[NH2+]C[C@@H]2CCCO2)cc1 ZINC000163669470 1425031946 /nfs/dbraw/zinc/03/19/46/1425031946.db2.gz IBDLDZGJFCCNNR-QFIPXVFZSA-N 1 0 397.519 3.063 20 10 GGCDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000163704580 1425036055 /nfs/dbraw/zinc/03/60/55/1425036055.db2.gz WIEYAYDJDDEEDE-QGZVFWFLSA-N 1 0 381.524 3.172 20 10 GGCDRO COc1ccc(N2CCC([NH2+][C@H](CN3CCOCC3)c3ccccc3)CC2)cc1 ZINC000163707094 1425036837 /nfs/dbraw/zinc/03/68/37/1425036837.db2.gz CPZADLHVUXVSQB-XMMPIXPASA-N 1 0 395.547 3.327 20 10 GGCDRO Cc1cc(C)c(O)c(C[NH+]2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)c1 ZINC000164164586 1425082559 /nfs/dbraw/zinc/08/25/59/1425082559.db2.gz RPIBIKYWCJFJJI-UHFFFAOYSA-N 1 0 377.488 3.377 20 10 GGCDRO Cc1cc(C)c(O)c(C[N@H+](C)CCCOc2ccc(S(C)(=O)=O)cc2)c1 ZINC000164206057 1425087236 /nfs/dbraw/zinc/08/72/36/1425087236.db2.gz RBBKNNLLLPYRGC-UHFFFAOYSA-N 1 0 377.506 3.313 20 10 GGCDRO COc1ccc(CCC(=O)N2CC[NH+](Cc3cc(C)cc(C)c3O)CC2)cc1 ZINC000164214050 1425088276 /nfs/dbraw/zinc/08/82/76/1425088276.db2.gz SLDAYNVCYBVWDZ-UHFFFAOYSA-N 1 0 382.504 3.295 20 10 GGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)c1 ZINC000164238825 1425090343 /nfs/dbraw/zinc/09/03/43/1425090343.db2.gz UROMYAUNGLNJDU-NRFANRHFSA-N 1 0 394.563 3.438 20 10 GGCDRO COc1cc(C[N@@H+]2CCC[C@@H](CN3CCOCC3)C2)c(O)c(C(C)(C)C)c1 ZINC000164326351 1425098902 /nfs/dbraw/zinc/09/89/02/1425098902.db2.gz WYRIHAJYIJBNQD-KRWDZBQOSA-N 1 0 376.541 3.243 20 10 GGCDRO COc1cc(O)c(C[NH+]2CCC([C@@H](O)c3ccc(F)cc3)CC2)cc1OC ZINC000180169370 1429778800 /nfs/dbraw/zinc/77/88/00/1429778800.db2.gz BZSMNUHOTINAMR-NRFANRHFSA-N 1 0 375.440 3.494 20 10 GGCDRO CC[C@@H]([NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1)C(=O)N1CCOCC1 ZINC000165039737 1425158764 /nfs/dbraw/zinc/15/87/64/1425158764.db2.gz YQRQLBVOHQHGCW-VQIMIIECSA-N 1 0 377.504 3.104 20 10 GGCDRO CC[C@H]([NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1)C(=O)N1CCOCC1 ZINC000165039623 1425158881 /nfs/dbraw/zinc/15/88/81/1425158881.db2.gz YQRQLBVOHQHGCW-APWZRJJASA-N 1 0 377.504 3.104 20 10 GGCDRO COc1ccc(N2CCC([NH2+]CCc3cccc(C(=O)N(C)C)c3)CC2)cc1 ZINC000165124287 1425165288 /nfs/dbraw/zinc/16/52/88/1425165288.db2.gz OOWSNNAVHCIESX-UHFFFAOYSA-N 1 0 381.520 3.198 20 10 GGCDRO CCC[N@H+](CC(=O)NCc1ccc(N2CCCC2=O)cc1)Cc1ccccc1O ZINC000170779185 1425339439 /nfs/dbraw/zinc/33/94/39/1425339439.db2.gz BCMDGDLHWOGJOT-UHFFFAOYSA-N 1 0 395.503 3.047 20 10 GGCDRO COc1ccc(N2CCC(NC(=O)NC3CC[NH+](C(C)(C)C)CC3)CC2)cc1 ZINC000171068658 1425466969 /nfs/dbraw/zinc/46/69/69/1425466969.db2.gz NYZHDXLFPJXYMI-UHFFFAOYSA-N 1 0 388.556 3.226 20 10 GGCDRO C[C@H]([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)c1ccc(Br)cc1 ZINC000171118652 1425492318 /nfs/dbraw/zinc/49/23/18/1425492318.db2.gz WTBAEUDRSVPEGI-AWEZNQCLSA-N 1 0 390.325 3.482 20 10 GGCDRO O=C(NCc1ccc(N2CCSCC2)cc1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000171636156 1425768046 /nfs/dbraw/zinc/76/80/46/1425768046.db2.gz VRYUJRPMUZMLAO-FQEVSTJZSA-N 1 0 388.581 3.010 20 10 GGCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+]C1(c3ccc(F)cc3)CCCC1)cc2=O ZINC000171694172 1425791387 /nfs/dbraw/zinc/79/13/87/1425791387.db2.gz NDYOASLSXAIKOS-UHFFFAOYSA-N 1 0 398.438 3.310 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NCc3cccs3)cc2F)CC1 ZINC000171693498 1425791719 /nfs/dbraw/zinc/79/17/19/1425791719.db2.gz ZFQCRXVGGJKDLN-UHFFFAOYSA-N 1 0 376.501 3.029 20 10 GGCDRO Cc1ccc(/C=C2/SC(=S)N(CCCN3CCOCC3)C2=O)cc1F ZINC000171770307 1425815840 /nfs/dbraw/zinc/81/58/40/1425815840.db2.gz AJLCREVVWFKMCW-FOWTUZBSSA-N 1 0 380.510 3.058 20 10 GGCDRO CCOCc1cc(C[NH2+]CC2(N3CCCCC3)CCOCC2)ccc1OC ZINC000171786126 1425820130 /nfs/dbraw/zinc/82/01/30/1425820130.db2.gz DAYZKBOZZPZMIU-UHFFFAOYSA-N 1 0 376.541 3.356 20 10 GGCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000172712382 1426155359 /nfs/dbraw/zinc/15/53/59/1426155359.db2.gz WITMMZRVQXRHFN-UHFFFAOYSA-N 1 0 394.563 3.162 20 10 GGCDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000172738856 1426168294 /nfs/dbraw/zinc/16/82/94/1426168294.db2.gz WOFWKXKNWCRZOK-IBGZPJMESA-N 1 0 389.540 3.212 20 10 GGCDRO O=C1O[C@H](C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)CN1c1ccccc1 ZINC000172797950 1426193862 /nfs/dbraw/zinc/19/38/62/1426193862.db2.gz JQVPMCWWMZJDPR-VQTJNVASSA-N 1 0 382.460 3.399 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)Cc3cc(F)ccc3F)cc2F)CC1 ZINC000173114328 1426349672 /nfs/dbraw/zinc/34/96/72/1426349672.db2.gz ROVLVVHTTBUDQL-UHFFFAOYSA-N 1 0 391.437 3.105 20 10 GGCDRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000173181994 1426380610 /nfs/dbraw/zinc/38/06/10/1426380610.db2.gz QZUGLBFMUPJNJW-QFIPXVFZSA-N 1 0 387.568 3.332 20 10 GGCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCCN(c4nc(C)ns4)CC3)c2c1 ZINC000173411414 1426594122 /nfs/dbraw/zinc/59/41/22/1426594122.db2.gz WIPXANVLHKSRTP-UHFFFAOYSA-N 1 0 384.505 3.426 20 10 GGCDRO Cc1nsc(N2CCC[N@H+](Cc3cc(C(C)(C)C)cc(O)c3O)CC2)n1 ZINC000173410878 1426594589 /nfs/dbraw/zinc/59/45/89/1426594589.db2.gz NOXPXPYQCCUQTG-UHFFFAOYSA-N 1 0 376.526 3.268 20 10 GGCDRO COc1cccc(CNC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c1O ZINC000173564764 1426733738 /nfs/dbraw/zinc/73/37/38/1426733738.db2.gz LQFAXSQXVSSVFC-UHFFFAOYSA-N 1 0 383.492 3.386 20 10 GGCDRO CC[NH+](CC)[C@H](CNC(=O)NCc1cccc(OC)c1O)c1ccsc1 ZINC000173823591 1426860907 /nfs/dbraw/zinc/86/09/07/1426860907.db2.gz VSPVTFZTACEWQO-MRXNPFEDSA-N 1 0 377.510 3.345 20 10 GGCDRO CC[NH+](CC)[C@@H](CNC(=O)NCc1cccc(OC)c1O)Cc1ccccc1 ZINC000173827902 1426862338 /nfs/dbraw/zinc/86/23/38/1426862338.db2.gz BABCQSHGRSMJMN-LJQANCHMSA-N 1 0 385.508 3.153 20 10 GGCDRO CCC[N@H+](Cc1ccccc1O)[C@H]1CCN(c2sccc2C(=O)OC)C1=O ZINC000173902936 1426885918 /nfs/dbraw/zinc/88/59/18/1426885918.db2.gz RVYGCTTXGLRDII-INIZCTEOSA-N 1 0 388.489 3.258 20 10 GGCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000173947050 1426903981 /nfs/dbraw/zinc/90/39/81/1426903981.db2.gz SAQAQQZUMRNUNH-UHFFFAOYSA-N 1 0 384.528 3.099 20 10 GGCDRO COc1cccc(CNC(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)c1O ZINC000173996485 1426933237 /nfs/dbraw/zinc/93/32/37/1426933237.db2.gz YLXLCLSAKLYJCG-UHFFFAOYSA-N 1 0 383.492 3.037 20 10 GGCDRO Cc1ccc(N2CC[C@@H]([NH2+][C@@H](C)c3ccc(N4CCOCC4)cc3)C2=O)cc1 ZINC000174008116 1426940627 /nfs/dbraw/zinc/94/06/27/1426940627.db2.gz IIQMTMSRRNWXLI-PGRDOPGGSA-N 1 0 379.504 3.288 20 10 GGCDRO CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000174116140 1427009241 /nfs/dbraw/zinc/00/92/41/1427009241.db2.gz SSWSJMBYQONFLC-AWEZNQCLSA-N 1 0 398.345 3.418 20 10 GGCDRO COc1ccc(N2CCC(NC(=O)NCCC[NH+](C(C)C)C(C)C)CC2)cc1 ZINC000174230403 1427061342 /nfs/dbraw/zinc/06/13/42/1427061342.db2.gz VJCVQLACYYNBRI-UHFFFAOYSA-N 1 0 390.572 3.472 20 10 GGCDRO NC(=O)[C@@H]([NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(F)cc1 ZINC000174282757 1427084260 /nfs/dbraw/zinc/08/42/60/1427084260.db2.gz NSPFQYLLVGKCBA-YJBOKZPZSA-N 1 0 393.409 3.212 20 10 GGCDRO Cc1cc(O)c(C[NH2+]CCNC(=O)c2ccc(Br)cc2)cc1C ZINC000174296343 1427090008 /nfs/dbraw/zinc/09/00/08/1427090008.db2.gz GGEAOVOSBBXLKT-UHFFFAOYSA-N 1 0 377.282 3.291 20 10 GGCDRO CC[N@@H+](Cc1cc(Br)ccc1O)C[C@H](O)COCc1ccco1 ZINC000174426328 1427151579 /nfs/dbraw/zinc/15/15/79/1427151579.db2.gz OKTMPIBZINERDP-HNNXBMFYSA-N 1 0 384.270 3.147 20 10 GGCDRO COc1cccc(CNC(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)c1O ZINC000174460533 1427167241 /nfs/dbraw/zinc/16/72/41/1427167241.db2.gz JRIZWIFOAUAKOY-OAHLLOKOSA-N 1 0 389.521 3.174 20 10 GGCDRO COc1cccc(C[NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)c1O ZINC000174569662 1427230245 /nfs/dbraw/zinc/23/02/45/1427230245.db2.gz GOUCBWOZHVTQIA-INIZCTEOSA-N 1 0 392.402 3.287 20 10 GGCDRO Oc1cc2c(cc1C[NH2+][C@H]1CCCN(c3ccc(OC(F)F)cc3)C1)OCO2 ZINC000174621402 1427268514 /nfs/dbraw/zinc/26/85/14/1427268514.db2.gz MIYMHELQHAPQSJ-AWEZNQCLSA-N 1 0 392.402 3.481 20 10 GGCDRO C[C@@H](CNC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[N@H+](C)C1CC1 ZINC000174736263 1427339591 /nfs/dbraw/zinc/33/95/91/1427339591.db2.gz JKLAODGDYISMEW-GJZGRUSLSA-N 1 0 396.482 3.039 20 10 GGCDRO C[N@H+](CCNC(=O)NCc1ccc(N2CCCC2)cc1)Cc1ccc(F)cc1 ZINC000175634521 1427838965 /nfs/dbraw/zinc/83/89/65/1427838965.db2.gz KUXQLYQKOIWDOR-UHFFFAOYSA-N 1 0 384.499 3.357 20 10 GGCDRO CC[NH+]1CCN(c2ccc(NC(=O)/C=C/c3ccc(O)c(O)c3)c(C)c2)CC1 ZINC000180601293 1429925573 /nfs/dbraw/zinc/92/55/73/1429925573.db2.gz PISMEWFHVBSPNE-WEVVVXLNSA-N 1 0 381.476 3.200 20 10 GGCDRO C[NH+](C)CC(C)(C)CN1C(=O)/C(=C\c2ccc([N+](=O)[O-])s2)SC1=S ZINC000180766144 1430027023 /nfs/dbraw/zinc/02/70/23/1430027023.db2.gz WHQGMAIUFUIWHI-YRNVUSSQSA-N 1 0 385.536 3.445 20 10 GGCDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180833388 1430062285 /nfs/dbraw/zinc/06/22/85/1430062285.db2.gz GLDUYUQYWIYFCN-BQYDLMEBSA-N 1 0 380.488 3.482 20 10 GGCDRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2cc(OC)ccc2O)cc1 ZINC000180893876 1430094928 /nfs/dbraw/zinc/09/49/28/1430094928.db2.gz GOGUWWOVYWMXQH-HNNXBMFYSA-N 1 0 392.521 3.282 20 10 GGCDRO CC[NH+](CC)CCOc1ccccc1CNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180940473 1430126216 /nfs/dbraw/zinc/12/62/16/1430126216.db2.gz DNCSZDMXSLWQLC-ZRDIBKRKSA-N 1 0 384.476 3.148 20 10 GGCDRO C[C@@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(N2CCCCC2)c(F)c1 ZINC000180961559 1430138029 /nfs/dbraw/zinc/13/80/29/1430138029.db2.gz SZTPRXVTDVLUDL-BEFAXECRSA-N 1 0 385.487 3.006 20 10 GGCDRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2cc(Cl)cc(C(C)=O)c2O)cc1 ZINC000181034606 1430178685 /nfs/dbraw/zinc/17/86/85/1430178685.db2.gz NPKQHQXDYSVVAZ-NSHDSACASA-N 1 0 396.896 3.007 20 10 GGCDRO Cc1ccoc1C(=O)NCCC[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000181076127 1430200233 /nfs/dbraw/zinc/20/02/33/1430200233.db2.gz JALMWQNZSPUENU-INIZCTEOSA-N 1 0 389.471 3.034 20 10 GGCDRO CCN(CC)c1ccc(C[NH2+]C2CCN(S(=O)(=O)CC(C)C)CC2)cc1 ZINC000181113578 1430214839 /nfs/dbraw/zinc/21/48/39/1430214839.db2.gz STKDHHPYLAYDFM-UHFFFAOYSA-N 1 0 381.586 3.073 20 10 GGCDRO COc1cc(OC)cc(N2CC[C@@H]([NH2+][C@H](C)c3ccc(N(C)C)cc3)C2=O)c1 ZINC000181209553 1430248474 /nfs/dbraw/zinc/24/84/74/1430248474.db2.gz WXYFUDGKUWIWEW-QVKFZJNVSA-N 1 0 383.492 3.226 20 10 GGCDRO COc1cc(OC)cc(N2CC[C@H]([NH2+][C@@H](C)c3ccc(N(C)C)cc3)C2=O)c1 ZINC000181209565 1430248520 /nfs/dbraw/zinc/24/85/20/1430248520.db2.gz WXYFUDGKUWIWEW-BTYIYWSLSA-N 1 0 383.492 3.226 20 10 GGCDRO COCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccc(N3CCCCC3)c(F)c1)CC2 ZINC000181297846 1430266273 /nfs/dbraw/zinc/26/62/73/1430266273.db2.gz SCOBOROGPAMZBK-RDJZCZTQSA-N 1 0 387.503 3.220 20 10 GGCDRO COCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccc(N3CCCCC3)c(F)c1)CC2 ZINC000181297869 1430266305 /nfs/dbraw/zinc/26/63/05/1430266305.db2.gz SCOBOROGPAMZBK-WBVHZDCISA-N 1 0 387.503 3.220 20 10 GGCDRO C[C@H]([NH2+]CCOc1ccc(Cl)cn1)c1ccc(N2CCOCC2)c(F)c1 ZINC000181325221 1430273096 /nfs/dbraw/zinc/27/30/96/1430273096.db2.gz QATJRISQAXKMGR-AWEZNQCLSA-N 1 0 379.863 3.440 20 10 GGCDRO C[C@@H]([NH2+][C@@H]1CCO[C@]2(CCSC2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000181456458 1430303700 /nfs/dbraw/zinc/30/37/00/1430303700.db2.gz MVMQLUZATCAHMQ-WRWLIDTKSA-N 1 0 380.529 3.368 20 10 GGCDRO C[C@H]([NH2+][C@H]1CCO[C@]2(CCSC2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000181456482 1430303825 /nfs/dbraw/zinc/30/38/25/1430303825.db2.gz MVMQLUZATCAHMQ-RIFZZMRRSA-N 1 0 380.529 3.368 20 10 GGCDRO CC[C@H]([NH2+]CCN(C)S(=O)(=O)c1cccs1)c1ccc(N(C)C)cc1 ZINC000181502144 1430311275 /nfs/dbraw/zinc/31/12/75/1430311275.db2.gz FCZVXVVPQWICOB-KRWDZBQOSA-N 1 0 381.567 3.176 20 10 GGCDRO C[C@H](NC(=O)/C=C/c1ccc(N2CCOCC2)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181644850 1430334090 /nfs/dbraw/zinc/33/40/90/1430334090.db2.gz MBYAMMBSYDZQMS-HZXPXBNSSA-N 1 0 397.563 3.306 20 10 GGCDRO C[C@H]([NH2+]C[C@](C)(O)c1ccc(F)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000181794744 1430361847 /nfs/dbraw/zinc/36/18/47/1430361847.db2.gz YQNLZKPDKQKFKX-BTYIYWSLSA-N 1 0 376.447 3.360 20 10 GGCDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1[N+](=O)[O-] ZINC000181807513 1430364606 /nfs/dbraw/zinc/36/46/06/1430364606.db2.gz FYFUXYWLEGOUAY-MRXNPFEDSA-N 1 0 384.480 3.278 20 10 GGCDRO Cc1ccc([C@H](C)[NH2+]CC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1[N+](=O)[O-] ZINC000181807532 1430364635 /nfs/dbraw/zinc/36/46/35/1430364635.db2.gz FYFUXYWLEGOUAY-INIZCTEOSA-N 1 0 384.480 3.278 20 10 GGCDRO C[C@@H]([NH2+]CC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)c1ccccc1 ZINC000182053334 1430402633 /nfs/dbraw/zinc/40/26/33/1430402633.db2.gz PTTPRFDAGWRCQH-FGTMMUONSA-N 1 0 399.510 3.406 20 10 GGCDRO CC(=O)c1cc(Cl)cc(C[NH2+][C@H](CN2CCOCC2)c2ccccc2)c1O ZINC000182149927 1430420598 /nfs/dbraw/zinc/42/05/98/1430420598.db2.gz UMDSVCPPVHMUKN-HXUWFJFHSA-N 1 0 388.895 3.411 20 10 GGCDRO COc1ccc(C(=O)N2CCC([NH2+]Cc3cccc(C)c3O)CC2)cc1OC ZINC000182208196 1430430273 /nfs/dbraw/zinc/43/02/73/1430430273.db2.gz GZJVMNIQMOHQPB-UHFFFAOYSA-N 1 0 384.476 3.112 20 10 GGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)NCCc2ccc(OC(C)C)cc2)c1 ZINC000182326123 1430448961 /nfs/dbraw/zinc/44/89/61/1430448961.db2.gz PRANQVDQZCUBIW-MRXNPFEDSA-N 1 0 386.492 3.198 20 10 GGCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)Nc2cc(C)nn2-c2ccc(F)cc2)c1 ZINC000182374629 1430455081 /nfs/dbraw/zinc/45/50/81/1430455081.db2.gz UTLWOCVZKBWMEP-AWEZNQCLSA-N 1 0 398.438 3.323 20 10 GGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)NCCc2nc3ccccc3s2)c1 ZINC000182397595 1430459806 /nfs/dbraw/zinc/45/98/06/1430459806.db2.gz QDRRHGWYEYNUBR-CYBMUJFWSA-N 1 0 385.489 3.020 20 10 GGCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)NCCc2ccc(OC(F)F)cc2)c1 ZINC000182407087 1430462040 /nfs/dbraw/zinc/46/20/40/1430462040.db2.gz GTVISZAEMAGHCT-ZDUSSCGKSA-N 1 0 394.418 3.012 20 10 GGCDRO COc1ccc(CN(C(=O)C[NH2+][C@@H](C)c2cc(OC)ccc2O)C2CC2)cc1 ZINC000182443287 1430468675 /nfs/dbraw/zinc/46/86/75/1430468675.db2.gz ZAYNVISMOXJLFF-HNNXBMFYSA-N 1 0 384.476 3.251 20 10 GGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)N[C@H](c2nccs2)c2ccccc2)c1 ZINC000182471559 1430473298 /nfs/dbraw/zinc/47/32/98/1430473298.db2.gz MKZDPYCNRXQQBL-VLIAUNLRSA-N 1 0 397.500 3.414 20 10 GGCDRO Cc1ccc(C(=O)NCCCOC2CC[NH+](Cc3ccccc3)CC2)c(O)c1O ZINC000182560100 1430492047 /nfs/dbraw/zinc/49/20/47/1430492047.db2.gz LVCFVGAWEAFHMH-UHFFFAOYSA-N 1 0 398.503 3.207 20 10 GGCDRO C[C@H](CCNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)[NH+]1CCCCC1 ZINC000182683801 1430516658 /nfs/dbraw/zinc/51/66/58/1430516658.db2.gz IVJRTWRZRLVHII-UYAOXDASSA-N 1 0 389.540 3.347 20 10 GGCDRO Oc1cc(OCc2ccccc2)ccc1C[N@@H+]1CCC[C@H]1CN1CCOCC1 ZINC000183011679 1430592416 /nfs/dbraw/zinc/59/24/16/1430592416.db2.gz PGXDXEZTASLVKD-NRFANRHFSA-N 1 0 382.504 3.268 20 10 GGCDRO Oc1cc(OCc2ccccc2)ccc1C[N@@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000183128902 1430623060 /nfs/dbraw/zinc/62/30/60/1430623060.db2.gz XMOJRCJLRFDSKY-LJQANCHMSA-N 1 0 378.476 3.475 20 10 GGCDRO Cc1ccc(NC(=O)N2CCOc3cc(N(C)C)ccc32)c(OCC[NH+](C)C)c1 ZINC000183142170 1430627511 /nfs/dbraw/zinc/62/75/11/1430627511.db2.gz NLPWAXZXPLKVLS-UHFFFAOYSA-N 1 0 398.507 3.432 20 10 GGCDRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@H](C)c2ccccc2O)s1 ZINC000183490607 1430725941 /nfs/dbraw/zinc/72/59/41/1430725941.db2.gz HNERNFPLCCGTLQ-CQSZACIVSA-N 1 0 382.551 3.378 20 10 GGCDRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@@H](C)c2ccccc2O)s1 ZINC000183490585 1430726044 /nfs/dbraw/zinc/72/60/44/1430726044.db2.gz HNERNFPLCCGTLQ-AWEZNQCLSA-N 1 0 382.551 3.378 20 10 GGCDRO C[C@@H]([NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1)c1cccc(-n2cccn2)c1 ZINC000183563583 1430742894 /nfs/dbraw/zinc/74/28/94/1430742894.db2.gz VGMSCPRTAQWVGZ-GOSISDBHSA-N 1 0 391.519 3.248 20 10 GGCDRO COc1ccc(C(=O)N2CCC([NH2+][C@@H](C)c3ccccc3O)CC2)cc1OC ZINC000183607840 1430753892 /nfs/dbraw/zinc/75/38/92/1430753892.db2.gz PSKAGFISAQPVPJ-HNNXBMFYSA-N 1 0 384.476 3.365 20 10 GGCDRO COc1ccc(CC[NH+]2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)cc1 ZINC000183701480 1430776561 /nfs/dbraw/zinc/77/65/61/1430776561.db2.gz QLDOZCYFXQOGPF-UHFFFAOYSA-N 1 0 386.492 3.086 20 10 GGCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3cccc(-c4nnc(C)o4)c3)c2)CC1 ZINC000184266763 1430864907 /nfs/dbraw/zinc/86/49/07/1430864907.db2.gz GHUCNHYYUVPMIT-UHFFFAOYSA-N 1 0 391.475 3.439 20 10 GGCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3cc(F)cc4nccnc43)c2)CC1 ZINC000184275744 1430866282 /nfs/dbraw/zinc/86/62/82/1430866282.db2.gz PGDMRAZCVUVRQK-UHFFFAOYSA-N 1 0 379.439 3.163 20 10 GGCDRO CCCNC(=O)c1cccc(C(=O)Nc2cccc(N3CC[NH+](CC)CC3)c2)c1 ZINC000184275405 1430866314 /nfs/dbraw/zinc/86/63/14/1430866314.db2.gz RAXANVOVGKEXHX-UHFFFAOYSA-N 1 0 394.519 3.221 20 10 GGCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3cccc(NC(=O)OC)c3)c2)CC1 ZINC000184282645 1430867429 /nfs/dbraw/zinc/86/74/29/1430867429.db2.gz LJZJHUWTTRAIBB-UHFFFAOYSA-N 1 0 382.464 3.259 20 10 GGCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3cc(F)c(F)cc3[N+](=O)[O-])c2)CC1 ZINC000184281576 1430867458 /nfs/dbraw/zinc/86/74/58/1430867458.db2.gz WCGRXBCCIPBJJO-UHFFFAOYSA-N 1 0 390.390 3.267 20 10 GGCDRO CCCC[C@H]([NH2+]CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C1CCC1 ZINC000184896547 1431015785 /nfs/dbraw/zinc/01/57/85/1431015785.db2.gz FWGCGGHIHMEHTA-FQEVSTJZSA-N 1 0 391.531 3.227 20 10 GGCDRO CC[NH+]1CCN(c2cccc(NC(=O)N[C@H](C)c3cc(OC)ccc3O)c2)CC1 ZINC000184929286 1431024086 /nfs/dbraw/zinc/02/40/86/1431024086.db2.gz JBJVLYYJMITXQN-MRXNPFEDSA-N 1 0 398.507 3.425 20 10 GGCDRO COc1ccc(O)c([C@H](C)[NH2+]C2CCN(CC(=O)Nc3ccccc3)CC2)c1 ZINC000184965218 1431032685 /nfs/dbraw/zinc/03/26/85/1431032685.db2.gz FRZCTDRSESTARA-INIZCTEOSA-N 1 0 383.492 3.155 20 10 GGCDRO C[C@H]([NH2+]CCCN1CCN(c2ncccn2)CC1)c1ccc2ccccc2c1O ZINC000184980967 1431035440 /nfs/dbraw/zinc/03/54/40/1431035440.db2.gz KVBVBPPCWJYXSM-SFHVURJKSA-N 1 0 391.519 3.198 20 10 GGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c1 ZINC000185109358 1431062745 /nfs/dbraw/zinc/06/27/45/1431062745.db2.gz UTIBDVRZBRUUGU-UONOGXRCSA-N 1 0 378.494 3.063 20 10 GGCDRO C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1)c1cc2c(cc1O)CCCC2 ZINC000185110673 1431063272 /nfs/dbraw/zinc/06/32/72/1431063272.db2.gz SVWUSPRPXNDDBE-OAHLLOKOSA-N 1 0 388.533 3.372 20 10 GGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccccc2S(=O)(=O)NC(C)(C)C)c1 ZINC000185146423 1431071861 /nfs/dbraw/zinc/07/18/61/1431071861.db2.gz UOVFXWMSHVBHCS-CQSZACIVSA-N 1 0 392.521 3.328 20 10 GGCDRO C[C@H]([NH2+]Cc1ccccc1S(=O)(=O)NC(C)(C)C)c1cc(F)ccc1O ZINC000185146672 1431072041 /nfs/dbraw/zinc/07/20/41/1431072041.db2.gz DHZVQMITNHXOTE-ZDUSSCGKSA-N 1 0 380.485 3.459 20 10 GGCDRO C[C@@H]([NH2+]Cc1ccccc1S(=O)(=O)NC(C)(C)C)c1cc(F)ccc1O ZINC000185146693 1431072101 /nfs/dbraw/zinc/07/21/01/1431072101.db2.gz DHZVQMITNHXOTE-CYBMUJFWSA-N 1 0 380.485 3.459 20 10 GGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCC(=O)N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000185178421 1431078218 /nfs/dbraw/zinc/07/82/18/1431078218.db2.gz UGPWQUAIOBAVEQ-KRWDZBQOSA-N 1 0 385.483 3.229 20 10 GGCDRO COc1ccccc1CC(=O)N1CCC([NH2+][C@H](C)c2cc(F)ccc2O)CC1 ZINC000185255319 1431094809 /nfs/dbraw/zinc/09/48/09/1431094809.db2.gz VYUCLJCWPQQUBQ-OAHLLOKOSA-N 1 0 386.467 3.424 20 10 GGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CC2CCN(S(=O)(=O)c3ccccc3)CC2)c1 ZINC000185974576 1431302508 /nfs/dbraw/zinc/30/25/08/1431302508.db2.gz XSFKQIYRKBVKKC-QGZVFWFLSA-N 1 0 388.533 3.452 20 10 GGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CC2CCN(S(=O)(=O)c3ccccc3)CC2)c1 ZINC000185974594 1431302723 /nfs/dbraw/zinc/30/27/23/1431302723.db2.gz XSFKQIYRKBVKKC-KRWDZBQOSA-N 1 0 388.533 3.452 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)/C=C/c3scnc3C)cc2F)CC1 ZINC000186463161 1431426743 /nfs/dbraw/zinc/42/67/43/1431426743.db2.gz MPEBIOPOPDOHFX-VOTSOKGWSA-N 1 0 388.512 3.062 20 10 GGCDRO C[C@@H]([NH2+]CCc1nn(C)c2ccccc12)c1ccc(N2CCOCC2)c(F)c1 ZINC000186477904 1431430927 /nfs/dbraw/zinc/43/09/27/1431430927.db2.gz HJQXZDMCFSDQQE-MRXNPFEDSA-N 1 0 382.483 3.442 20 10 GGCDRO C[C@H]([NH2+]CCc1nn(C)c2ccccc12)c1ccc(N2CCOCC2)c(F)c1 ZINC000186477889 1431430948 /nfs/dbraw/zinc/43/09/48/1431430948.db2.gz HJQXZDMCFSDQQE-INIZCTEOSA-N 1 0 382.483 3.442 20 10 GGCDRO COc1cccc(CNC(=O)N[C@@H](C[N@H+](C)Cc2ccccc2)C(C)C)c1O ZINC000187481256 1431744854 /nfs/dbraw/zinc/74/48/54/1431744854.db2.gz QOUCKKULYPBPNV-IBGZPJMESA-N 1 0 385.508 3.357 20 10 GGCDRO COc1cc(O)c(C[NH2+]CCc2ccc(OCC(F)(F)F)nc2)cc1OC ZINC000187629845 1431782899 /nfs/dbraw/zinc/78/28/99/1431782899.db2.gz ZHFQRQSMRKLYSU-UHFFFAOYSA-N 1 0 386.370 3.078 20 10 GGCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](CC)[C@H](C)Cc1ccsc1)cc2=O ZINC000187780235 1431811672 /nfs/dbraw/zinc/81/16/72/1431811672.db2.gz AJPRJNLACFHMLY-CYBMUJFWSA-N 1 0 388.493 3.126 20 10 GGCDRO C[N@H+](CCOCC(F)(F)C(F)(F)F)Cc1ccc(N2CCOCC2)cc1 ZINC000188638555 1431912816 /nfs/dbraw/zinc/91/28/16/1431912816.db2.gz OYMUEUPYPYFUEA-UHFFFAOYSA-N 1 0 382.373 3.169 20 10 GGCDRO O=C(C1CC1)N1CCC[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)CC1 ZINC000188704010 1431939588 /nfs/dbraw/zinc/93/95/88/1431939588.db2.gz CVCPTVUZCKBQQJ-UHFFFAOYSA-N 1 0 380.488 3.416 20 10 GGCDRO Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000188751334 1431958131 /nfs/dbraw/zinc/95/81/31/1431958131.db2.gz HLGCZSKAPJTIFR-MRXNPFEDSA-N 1 0 375.538 3.073 20 10 GGCDRO CN(C)c1ccc(C[NH2+]C2CCC(N3C(=O)c4ccccc4C3=O)CC2)cc1 ZINC000189004858 1432025899 /nfs/dbraw/zinc/02/58/99/1432025899.db2.gz NMXCYKKZSUVBHO-UHFFFAOYSA-N 1 0 377.488 3.450 20 10 GGCDRO O=C(CC[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1)N1CCc2ccccc2C1 ZINC000189106390 1432046028 /nfs/dbraw/zinc/04/60/28/1432046028.db2.gz AYDPCZIMFLNAMU-QFIPXVFZSA-N 1 0 394.515 3.348 20 10 GGCDRO COc1ccc(O)c(C[NH2+]C2CCC(N3C(=O)c4ccccc4C3=O)CC2)c1 ZINC000189204501 1432062856 /nfs/dbraw/zinc/06/28/56/1432062856.db2.gz AARNCNDUFOOIEO-UHFFFAOYSA-N 1 0 380.444 3.098 20 10 GGCDRO CC(C)(C)OC(=O)N1CC=C(C[NH2+]Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000189491434 1432133630 /nfs/dbraw/zinc/13/36/30/1432133630.db2.gz IQMGLVQBXQGRNN-UHFFFAOYSA-N 1 0 387.524 3.180 20 10 GGCDRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)CCCN1C(=O)OC(C)(C)C ZINC000189528461 1432149301 /nfs/dbraw/zinc/14/93/01/1432149301.db2.gz IXJIJRXSMGOWJN-XLIONFOSSA-N 1 0 389.540 3.401 20 10 GGCDRO C[C@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)Cc1cc(F)ccc1O ZINC000189984952 1432299735 /nfs/dbraw/zinc/29/97/35/1432299735.db2.gz VLUZGLUDLWWELE-CQSZACIVSA-N 1 0 378.469 3.264 20 10 GGCDRO CCN(CCC[NH+]1CCCC1)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000190130431 1432325251 /nfs/dbraw/zinc/32/52/51/1432325251.db2.gz XVCVLJBVHUNNTM-UHFFFAOYSA-N 1 0 390.597 3.257 20 10 GGCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3cc(OC)c(C)c([N+](=O)[O-])c3)c2)CC1 ZINC000190349849 1432365759 /nfs/dbraw/zinc/36/57/59/1432365759.db2.gz DFTNNDHKMTVJKT-UHFFFAOYSA-N 1 0 398.463 3.306 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNCc3nccn3-c3ccccc3)cc2F)CC1 ZINC000190981950 1432542639 /nfs/dbraw/zinc/54/26/39/1432542639.db2.gz UWXSCTOOLSKDKK-UHFFFAOYSA-N 1 0 393.510 3.443 20 10 GGCDRO COCCN(C)c1ccc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)cn1 ZINC000191170094 1432581276 /nfs/dbraw/zinc/58/12/76/1432581276.db2.gz IZFBQCBKELNYGF-FQEVSTJZSA-N 1 0 385.508 3.051 20 10 GGCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3c(F)ccc(OC)c3OC)c2)CC1 ZINC000191244035 1432603083 /nfs/dbraw/zinc/60/30/83/1432603083.db2.gz WWAGFLUPSDHOGW-UHFFFAOYSA-N 1 0 387.455 3.237 20 10 GGCDRO CCCC[C@H]1CCC[C@@H]1[NH2+]CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000191828179 1432733874 /nfs/dbraw/zinc/73/38/74/1432733874.db2.gz QXGTVIJGIPKNOM-ICSRJNTNSA-N 1 0 391.531 3.227 20 10 GGCDRO C[C@@H]1CN(c2ccc(CNC(=O)C[NH2+][C@@H]3CCCC3(C)C)cc2F)C[C@H](C)O1 ZINC000191844581 1432738227 /nfs/dbraw/zinc/73/82/27/1432738227.db2.gz RDGJJKGXLJVJFF-GQIGUUNPSA-N 1 0 391.531 3.224 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CCS[C@H](C)CC3)cc2F)CC1 ZINC000192427489 1432843930 /nfs/dbraw/zinc/84/39/30/1432843930.db2.gz GYBOKMMFNVKYSZ-MRXNPFEDSA-N 1 0 394.560 3.005 20 10 GGCDRO CCC[N@H+](CC(=O)Nc1ccc(F)c(F)c1F)Cc1cc2c(cc1O)OCO2 ZINC000192479000 1432849744 /nfs/dbraw/zinc/84/97/44/1432849744.db2.gz OBMLMBTXTPEEJA-UHFFFAOYSA-N 1 0 396.365 3.389 20 10 GGCDRO COc1ccc(N2CCCN(C(=O)NC[C@H](c3ccccc3)[NH+](C)C)CC2)cc1 ZINC000193606221 1433027712 /nfs/dbraw/zinc/02/77/12/1433027712.db2.gz GJSBFCUCGXAYJF-JOCHJYFZSA-N 1 0 396.535 3.220 20 10 GGCDRO CC(C)(C)[NH+]1CCC(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)CC1 ZINC000193851803 1433072893 /nfs/dbraw/zinc/07/28/93/1433072893.db2.gz BISIXPRCOXHHKM-IBGZPJMESA-N 1 0 389.540 3.346 20 10 GGCDRO C[C@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000194067624 1433110856 /nfs/dbraw/zinc/11/08/56/1433110856.db2.gz YXIAAHDWMXZFLP-KRWDZBQOSA-N 1 0 387.549 3.388 20 10 GGCDRO CN1CCCc2cc(CNC(=O)NC[C@H]3CC[N@H+](Cc4ccccc4)C3)ccc21 ZINC000194116031 1433120296 /nfs/dbraw/zinc/12/02/96/1433120296.db2.gz TZGDNPFIJLWXOR-OAQYLSRUSA-N 1 0 392.547 3.390 20 10 GGCDRO O=C(NCCCSc1nccs1)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000194248836 1433148565 /nfs/dbraw/zinc/14/85/65/1433148565.db2.gz ZDQHIJZMCLEECK-QGZVFWFLSA-N 1 0 390.578 3.447 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3coc(C4CCC4)n3)cc2F)CC1 ZINC000194309644 1433159150 /nfs/dbraw/zinc/15/91/50/1433159150.db2.gz DIKBAPZPCYKGFL-UHFFFAOYSA-N 1 0 386.471 3.153 20 10 GGCDRO COc1cccc(C2CC[NH+](CC(=O)NCc3ccc(N(C)C)cc3)CC2)c1 ZINC000194880661 1433255302 /nfs/dbraw/zinc/25/53/02/1433255302.db2.gz BUHKCMGLGTXENZ-UHFFFAOYSA-N 1 0 381.520 3.257 20 10 GGCDRO CC(C)CNC(=O)NC(=O)C[N@H+](Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000216483255 1433363828 /nfs/dbraw/zinc/36/38/28/1433363828.db2.gz QMWJHDMOIXFFJN-QGZVFWFLSA-N 1 0 383.492 3.437 20 10 GGCDRO CC(C)(C)c1cc(C[NH2+]CCC(=O)N2CCOCC2)c(O)c(C(C)(C)C)c1 ZINC000236778487 1433378570 /nfs/dbraw/zinc/37/85/70/1433378570.db2.gz DHNWNMJQJJSCGS-UHFFFAOYSA-N 1 0 376.541 3.326 20 10 GGCDRO CCN(Cc1ccccc1)c1ccc(C[NH2+]CC(C)(C)NS(C)(=O)=O)cc1 ZINC000236961093 1433384137 /nfs/dbraw/zinc/38/41/37/1433384137.db2.gz JJEFDMVYLQBZCW-UHFFFAOYSA-N 1 0 389.565 3.131 20 10 GGCDRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2cccc(OC)c2O)cc1 ZINC000237009821 1433385760 /nfs/dbraw/zinc/38/57/60/1433385760.db2.gz CMQLJUORPYGRMH-OAHLLOKOSA-N 1 0 392.521 3.282 20 10 GGCDRO CCOc1ccc(O)c(C[NH2+]Cc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)c1 ZINC000237079270 1433388118 /nfs/dbraw/zinc/38/81/18/1433388118.db2.gz SIAIGJSICDJKJD-IAGOWNOFSA-N 1 0 398.503 3.330 20 10 GGCDRO CC[C@H](C(=O)N1CCC([NH2+]Cc2cc3c(cc2O)OCO3)CC1)c1ccccc1 ZINC000237079938 1433388119 /nfs/dbraw/zinc/38/81/19/1433388119.db2.gz GHFUWGWCQMOMEY-IBGZPJMESA-N 1 0 396.487 3.395 20 10 GGCDRO COc1ccc(C[NH2+]Cc2ccccc2CS(=O)(=O)NC(C)C)cc1C ZINC000237245540 1433394261 /nfs/dbraw/zinc/39/42/61/1433394261.db2.gz KXTJLCHGZIBNHF-UHFFFAOYSA-N 1 0 376.522 3.121 20 10 GGCDRO COc1ccc(N2CCN(CCC[NH2+]Cc3ccc(C)c([N+](=O)[O-])c3)CC2)cc1 ZINC000237271557 1433395303 /nfs/dbraw/zinc/39/53/03/1433395303.db2.gz GGCRIPBULRMIOG-UHFFFAOYSA-N 1 0 398.507 3.214 20 10 GGCDRO C[C@H](CC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000237408752 1433401576 /nfs/dbraw/zinc/40/15/76/1433401576.db2.gz LXXDNAWRIKBFEY-ZACQAIPSSA-N 1 0 395.494 3.399 20 10 GGCDRO Cc1cc(C(=O)N2CCC([NH3+])CC2)c(C)n1-c1cccc(Br)c1 ZINC000237678634 1433416507 /nfs/dbraw/zinc/41/65/07/1433416507.db2.gz ATDUVWUQYKSUGH-UHFFFAOYSA-N 1 0 376.298 3.420 20 10 GGCDRO Cc1cccc(N2CC[NH+](CCCC[NH2+]Cc3cc([N+](=O)[O-])ccc3[O-])CC2)c1 ZINC000237721548 1433419058 /nfs/dbraw/zinc/41/90/58/1433419058.db2.gz PGBIVESRFOKXLX-UHFFFAOYSA-N 1 0 398.507 3.301 20 10 GGCDRO [NH3+][C@@H](CC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccccc1 ZINC000237900843 1433432766 /nfs/dbraw/zinc/43/27/66/1433432766.db2.gz NRKYXAFIISHCQV-LPHOPBHVSA-N 1 0 389.446 3.463 20 10 GGCDRO Nc1ccc(CCNC(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000237944911 1433436146 /nfs/dbraw/zinc/43/61/46/1433436146.db2.gz KENNEVDHCFHCTD-HXUWFJFHSA-N 1 0 391.437 3.382 20 10 GGCDRO [NH3+]Cc1ccc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1 ZINC000237985217 1433438077 /nfs/dbraw/zinc/43/80/77/1433438077.db2.gz YQVPRVWKINXFRI-MRXNPFEDSA-N 1 0 375.419 3.146 20 10 GGCDRO CN1CCCc2cc(CNC(=O)N3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)ccc21 ZINC000246438615 1433613317 /nfs/dbraw/zinc/61/33/17/1433613317.db2.gz NHYZMSGAYCERRX-UGKGYDQZSA-N 1 0 382.552 3.227 20 10 GGCDRO COc1ccc(O)c(CNC(=O)N[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000247620876 1433739944 /nfs/dbraw/zinc/73/99/44/1433739944.db2.gz TULCNPNGZAVKGH-YPGOJHLTSA-N 1 0 397.519 3.357 20 10 GGCDRO C[C@@H]([NH2+]CC(C)(C)N1C[C@@H](C)O[C@@H](C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000248024744 1433764297 /nfs/dbraw/zinc/76/42/97/1433764297.db2.gz OQFWLNWXRVNOLO-FGTMMUONSA-N 1 0 393.547 3.201 20 10 GGCDRO C[C@@H]1CN(c2ccc(CNC(=O)C[NH2+][C@@H]3CCCC[C@@H]3C)cc2F)C[C@@H](C)O1 ZINC000249369503 1433841839 /nfs/dbraw/zinc/84/18/39/1433841839.db2.gz WFNZCGVNTVDVSD-TVKQPGBESA-N 1 0 391.531 3.224 20 10 GGCDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000249759965 1433851300 /nfs/dbraw/zinc/85/13/00/1433851300.db2.gz GAVYEDNBZAASCL-ROUUACIJSA-N 1 0 390.597 3.159 20 10 GGCDRO COCCn1c(C)cc(/C=C2/SC(=S)N(C3CC[NH+](C)CC3)C2=O)c1C ZINC000255309519 1433879880 /nfs/dbraw/zinc/87/98/80/1433879880.db2.gz JPOUYLMNAAATRE-SFQUDFHCSA-N 1 0 393.578 3.047 20 10 GGCDRO Cc1cc(C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c(C)n1-c1ccccc1C ZINC000261410207 1433895866 /nfs/dbraw/zinc/89/58/66/1433895866.db2.gz CODQGHYDEUQBOI-NRFANRHFSA-N 1 0 394.563 3.255 20 10 GGCDRO C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000263663658 1434017137 /nfs/dbraw/zinc/01/71/37/1434017137.db2.gz BKQCIINTYQPNMT-OAHLLOKOSA-N 1 0 397.475 3.228 20 10 GGCDRO O=C(/C=C/c1ccc(N2CCOCC2)cc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000264536587 1434125430 /nfs/dbraw/zinc/12/54/30/1434125430.db2.gz GJBKEAMJLMUJLY-RMKNXTFCSA-N 1 0 383.536 3.013 20 10 GGCDRO C[NH+](C)[C@@H](CNC(=O)/C=C/c1ccc(N2CCOCC2)cc1)c1ccsc1 ZINC000264621384 1434135715 /nfs/dbraw/zinc/13/57/15/1434135715.db2.gz JMQFLGGYMYRJEJ-FKIZTMCRSA-N 1 0 385.533 3.017 20 10 GGCDRO CCOc1cccc(C[NH2+]CCCc2nnc(SC)n2CC(C)C)c1O ZINC000265089252 1434183758 /nfs/dbraw/zinc/18/37/58/1434183758.db2.gz MIRBIVLFNKCDBI-UHFFFAOYSA-N 1 0 378.542 3.483 20 10 GGCDRO CC(C)CN(C(=O)/C=C/c1ccc(N2CCOCC2)cc1)C1CC[NH+](C)CC1 ZINC000265107196 1434185567 /nfs/dbraw/zinc/18/55/67/1434185567.db2.gz JFELVQVUTCEGPO-RMKNXTFCSA-N 1 0 385.552 3.115 20 10 GGCDRO CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CC[N@H+](CCCOCC)C[C@H]1C ZINC000265225023 1434202535 /nfs/dbraw/zinc/20/25/35/1434202535.db2.gz MBLQETHOKYPFSC-UYAOXDASSA-N 1 0 391.556 3.451 20 10 GGCDRO COCCC[NH+]1CCC(NC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)CC1 ZINC000266829514 1434379873 /nfs/dbraw/zinc/37/98/73/1434379873.db2.gz MTYCWAOHGKIUEG-UHFFFAOYSA-N 1 0 390.572 3.174 20 10 GGCDRO CC(=O)N1CCN(c2ccccc2C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000268805171 1434559234 /nfs/dbraw/zinc/55/92/34/1434559234.db2.gz FPPDWRVNXVMWNO-SFHVURJKSA-N 1 0 380.536 3.272 20 10 GGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2ccc(OCC(=O)N(C)C)c(OC)c2)cc1 ZINC000268830043 1434562075 /nfs/dbraw/zinc/56/20/75/1434562075.db2.gz OFVYJSRUJQVPHL-QGZVFWFLSA-N 1 0 399.535 3.469 20 10 GGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2cccc(C(=O)N3CCOCC3)c2)cc1 ZINC000268839266 1434563372 /nfs/dbraw/zinc/56/33/72/1434563372.db2.gz ZDHVZDRKCBVNSW-GOSISDBHSA-N 1 0 381.520 3.466 20 10 GGCDRO COc1cc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)ccc1OCC(=O)N(C)C ZINC000268851986 1434564520 /nfs/dbraw/zinc/56/45/20/1434564520.db2.gz TURBNWIKZHOZBF-INIZCTEOSA-N 1 0 385.508 3.079 20 10 GGCDRO CCCOc1ccc(C[N@@H+]2CCCN(Cc3noc(C4CC4)n3)CC2)c(O)c1 ZINC000269462580 1434649304 /nfs/dbraw/zinc/64/93/04/1434649304.db2.gz JLQIMAPBDHQYQU-UHFFFAOYSA-N 1 0 386.496 3.149 20 10 GGCDRO C[NH+](C)CCCC1CCN(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)CC1 ZINC000270936936 1434789345 /nfs/dbraw/zinc/78/93/45/1434789345.db2.gz IOMDZEBAOSWYGN-JXMROGBWSA-N 1 0 385.552 3.117 20 10 GGCDRO CCOc1cccc(C[N@H+](CC)CC(=O)Nc2ccc(NC(C)=O)cc2)c1O ZINC000271033528 1434797427 /nfs/dbraw/zinc/79/74/27/1434797427.db2.gz ZYOKGPVQLURWFH-UHFFFAOYSA-N 1 0 385.464 3.210 20 10 GGCDRO CCOc1cccc(C[NH+]2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)c1O ZINC000271048239 1434798366 /nfs/dbraw/zinc/79/83/66/1434798366.db2.gz SWKXQHXYPXOZEP-UHFFFAOYSA-N 1 0 398.459 3.370 20 10 GGCDRO C[C@H](C(=O)c1c[nH]c2ncccc12)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000271335955 1434816970 /nfs/dbraw/zinc/81/69/70/1434816970.db2.gz WLUSTENDMBGCCW-MRXNPFEDSA-N 1 0 378.476 3.103 20 10 GGCDRO C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C1=O)c1ccc(N2CCOCC2)c(F)c1 ZINC000271419808 1434823285 /nfs/dbraw/zinc/82/32/85/1434823285.db2.gz BLTLPIGPAKCBLK-UWJYYQICSA-N 1 0 397.494 3.114 20 10 GGCDRO Cc1cc(C[NH2+][C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)ccc1N(C)C ZINC000271474846 1434828053 /nfs/dbraw/zinc/82/80/53/1434828053.db2.gz JOPREUHENMQBCB-MRXNPFEDSA-N 1 0 375.538 3.162 20 10 GGCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@@H](C)c1ccc(OC(C)C)cc1)cc2=O ZINC000271739147 1434847190 /nfs/dbraw/zinc/84/71/90/1434847190.db2.gz IETCCEKOTAEOSC-AWEZNQCLSA-N 1 0 398.463 3.250 20 10 GGCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@H](C)c1ccc(OC(C)C)cc1)cc2=O ZINC000271739148 1434847239 /nfs/dbraw/zinc/84/72/39/1434847239.db2.gz IETCCEKOTAEOSC-CQSZACIVSA-N 1 0 398.463 3.250 20 10 GGCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@@H](C)c1cccc(OC(C)C)c1)cc2=O ZINC000271769481 1434849183 /nfs/dbraw/zinc/84/91/83/1434849183.db2.gz NQGBDVZCDTVTKC-AWEZNQCLSA-N 1 0 398.463 3.250 20 10 GGCDRO COc1cccc(CNC(=O)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1O ZINC000272522054 1434903733 /nfs/dbraw/zinc/90/37/33/1434903733.db2.gz NTTLVJOCZUJFKS-VQIMIIECSA-N 1 0 383.492 3.111 20 10 GGCDRO OCC1CCN(c2ccc(C[NH2+]C3CCN(c4nccs4)CC3)cc2)CC1 ZINC000272739444 1434927221 /nfs/dbraw/zinc/92/72/21/1434927221.db2.gz QRTVJOFCNIDRNC-UHFFFAOYSA-N 1 0 386.565 3.110 20 10 GGCDRO CC(C)(C)c1cc(C[NH+]2CCC3(CC2)NC(=O)NC3=O)c(O)c(C(C)(C)C)c1 ZINC000272769828 1434929727 /nfs/dbraw/zinc/92/97/27/1434929727.db2.gz MORXHQQTCGKGMN-UHFFFAOYSA-N 1 0 387.524 3.161 20 10 GGCDRO C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273363294 1434983219 /nfs/dbraw/zinc/98/32/19/1434983219.db2.gz AURXBEOSBOKHSJ-OAHLLOKOSA-N 1 0 385.464 3.108 20 10 GGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ccccc2OCC(=O)NC[C@@H]2CCCO2)c1 ZINC000273361050 1434983313 /nfs/dbraw/zinc/98/33/13/1434983313.db2.gz CZMMAXBFAZHZOY-MJGOQNOKSA-N 1 0 398.503 3.225 20 10 GGCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccccc2OCC(=O)NC[C@H]2CCCO2)c(O)c1 ZINC000273389213 1434985497 /nfs/dbraw/zinc/98/54/97/1434985497.db2.gz KIDBJMAHWQWTLZ-PKOBYXMFSA-N 1 0 398.503 3.225 20 10 GGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2OCC(=O)NC[C@@H]2CCCO2)c(O)c1 ZINC000273389206 1434985546 /nfs/dbraw/zinc/98/55/46/1434985546.db2.gz KIDBJMAHWQWTLZ-MJGOQNOKSA-N 1 0 398.503 3.225 20 10 GGCDRO C[C@H]([NH2+]C[C@](O)(c1nccn1C)C(F)(F)F)c1cc2c(cc1O)CCCC2 ZINC000273453306 1434989755 /nfs/dbraw/zinc/98/97/55/1434989755.db2.gz PFLVJXGBRFJIRU-SGTLLEGYSA-N 1 0 383.414 3.105 20 10 GGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)c2cc(Cl)c3c(c2)OCCO3)c1 ZINC000273569490 1434997268 /nfs/dbraw/zinc/99/72/68/1434997268.db2.gz KHURMOUNDHPMNS-GTNSWQLSSA-N 1 0 379.840 3.210 20 10 GGCDRO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1COCC[C@H]1[NH2+]Cc1ccccc1O ZINC000273889045 1435025676 /nfs/dbraw/zinc/02/56/76/1435025676.db2.gz SWGZLYOJIBCEBZ-RCCFBDPRSA-N 1 0 376.497 3.286 20 10 GGCDRO C[C@@H]1CN(c2ccc(C[NH2+]C3CCC4(CC3)OCCO4)cc2F)C[C@H](C)O1 ZINC000274212373 1435051817 /nfs/dbraw/zinc/05/18/17/1435051817.db2.gz OALRXQBHORPZQZ-IYBDPMFKSA-N 1 0 378.488 3.215 20 10 GGCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)c2)CC1 ZINC000274491562 1435074559 /nfs/dbraw/zinc/07/45/59/1435074559.db2.gz RHQVYUUCKJCGJF-UHFFFAOYSA-N 1 0 399.491 3.107 20 10 GGCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3cccc(NC(=O)N(C)C)c3)c2)CC1 ZINC000274544968 1435077754 /nfs/dbraw/zinc/07/77/54/1435077754.db2.gz FVFPRKUTCMAGCE-UHFFFAOYSA-N 1 0 395.507 3.174 20 10 GGCDRO CC[C@@H]([NH2+]Cc1ccccc1OCC(=O)NC[C@@H]1CCCO1)c1ccccc1O ZINC000274861249 1435098807 /nfs/dbraw/zinc/09/88/07/1435098807.db2.gz CWYNHRRCUWFBGK-AZUAARDMSA-N 1 0 398.503 3.307 20 10 GGCDRO Fc1ccc(Cn2cc(C[NH2+]Cc3ccc(N4CCOCC4)cc3)cn2)cc1 ZINC000275512177 1435144710 /nfs/dbraw/zinc/14/47/10/1435144710.db2.gz NLGKOGFTJUECDA-UHFFFAOYSA-N 1 0 380.467 3.197 20 10 GGCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000276737969 1435228955 /nfs/dbraw/zinc/22/89/55/1435228955.db2.gz AMORNXDSQBGBFN-HXUWFJFHSA-N 1 0 381.524 3.070 20 10 GGCDRO COc1ccc(C[NH2+]C[C@@H]2CC(=O)N(C(C)(C)C)[C@H]2c2cnn(C)c2)cc1C ZINC000276788417 1435232561 /nfs/dbraw/zinc/23/25/61/1435232561.db2.gz DZDCSVCLJXFFRZ-LAUBAEHRSA-N 1 0 384.524 3.215 20 10 GGCDRO Cc1ccc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c(OCC[NH+](C)C)c1 ZINC000276840903 1435236895 /nfs/dbraw/zinc/23/68/95/1435236895.db2.gz GWOYFWRVJVMIPD-OAHLLOKOSA-N 1 0 387.480 3.099 20 10 GGCDRO COc1c(O)c(C[NH+]2CCC(O)(c3ccccc3Cl)CC2)ccc1[N+](=O)[O-] ZINC000278434161 1435390521 /nfs/dbraw/zinc/39/05/21/1435390521.db2.gz ULBLIXFOTJPWCO-UHFFFAOYSA-N 1 0 392.839 3.446 20 10 GGCDRO C[C@H]([NH2+]CCOCC(F)(F)C(F)F)c1ccc(N2CCOCC2)c(F)c1 ZINC000278576734 1435401884 /nfs/dbraw/zinc/40/18/84/1435401884.db2.gz XUTQIDYIOLMFMZ-LBPRGKRZSA-N 1 0 382.373 3.230 20 10 GGCDRO COc1c([O-])c(C[NH2+]CC2CC[NH+](Cc3cccs3)CC2)ccc1[N+](=O)[O-] ZINC000278642570 1435409142 /nfs/dbraw/zinc/40/91/42/1435409142.db2.gz HZMGJSYTXYOEDV-UHFFFAOYSA-N 1 0 391.493 3.372 20 10 GGCDRO COc1c(O)c(CNc2cccc(OCCC[NH+](C)C)c2)ccc1[N+](=O)[O-] ZINC000278849541 1435430847 /nfs/dbraw/zinc/43/08/47/1435430847.db2.gz KVWOJWHTKIBNEF-UHFFFAOYSA-N 1 0 375.425 3.252 20 10 GGCDRO Clc1ccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)c(-n2cncn2)c1 ZINC000279854222 1435552509 /nfs/dbraw/zinc/55/25/09/1435552509.db2.gz IPLOUPYEKRXTFY-UHFFFAOYSA-N 1 0 383.883 3.047 20 10 GGCDRO CN(C)c1ccc(C[NH+]2CCC(N3CCCNC3=O)CC2)c(C(F)(F)F)c1 ZINC000280234071 1435614667 /nfs/dbraw/zinc/61/46/67/1435614667.db2.gz KOBGMCCPBXNUIZ-UHFFFAOYSA-N 1 0 384.446 3.151 20 10 GGCDRO CC[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(C)cc1O ZINC000280284138 1435625575 /nfs/dbraw/zinc/62/55/75/1435625575.db2.gz YRNSPFNJYRYQJS-QGZVFWFLSA-N 1 0 378.450 3.123 20 10 GGCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@@H](C)c1ccc(SC)cc1)cc2=O ZINC000281247419 1435800684 /nfs/dbraw/zinc/80/06/84/1435800684.db2.gz DKAKFRPJCLHOAU-LBPRGKRZSA-N 1 0 386.477 3.184 20 10 GGCDRO C[C@@H]([NH2+]C[C@H]1CCn2ncc(C(N)=O)c2C1)c1ccc(N2CCCCCC2)cc1 ZINC000281314056 1435803525 /nfs/dbraw/zinc/80/35/25/1435803525.db2.gz ZHXXZIGHNCAXPD-MSOLQXFVSA-N 1 0 395.551 3.276 20 10 GGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F)C(C)(C)n1cncn1 ZINC000284321376 1436013009 /nfs/dbraw/zinc/01/30/09/1436013009.db2.gz ZVDPGUZHAIBPDQ-CQSZACIVSA-N 1 0 397.445 3.047 20 10 GGCDRO C[C@@H]([NH2+][C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C)c1cc2c(cc1O)CCCC2 ZINC000284748233 1436045901 /nfs/dbraw/zinc/04/59/01/1436045901.db2.gz FQYFFSVTWNGJCH-JPEVHGAISA-N 1 0 382.508 3.017 20 10 GGCDRO CC[C@@H]([NH2+][C@@H]1CCC(=O)N(C2CC2)[C@H]1c1ccnn1C)c1ccc(N(C)C)cc1 ZINC000284758580 1436047108 /nfs/dbraw/zinc/04/71/08/1436047108.db2.gz GPMXYPXPCIHAMV-TXTKFYIRSA-N 1 0 395.551 3.422 20 10 GGCDRO Cc1cc(Br)cc(C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)c1O ZINC000826256431 947738160 /nfs/dbraw/zinc/73/81/60/947738160.db2.gz JFLXYRKRSWOFPC-UHFFFAOYSA-N 1 0 392.232 3.072 20 10 GGCDRO CC[C@@H](c1ccccc1)[N@H+](CC(=O)[O-])Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001595363207 980779897 /nfs/dbraw/zinc/77/98/97/980779897.db2.gz YBSBKDIAWCIXAF-QFIPXVFZSA-N 1 0 381.520 3.476 20 10 GGCDRO COc1cc(Br)cc(C[NH2+][C@@H](CO)Cc2ccc(C)c(C)c2)c1O ZINC000835074930 1126111368 /nfs/dbraw/zinc/11/13/68/1126111368.db2.gz VELVEOKNNGOCAR-QGZVFWFLSA-N 1 0 394.309 3.473 20 10 GGCDRO COc1ccc(C[NH2+][C@@H](CO)Cc2c[nH]c3ccccc23)cc1Cn1cccn1 ZINC000873052786 1126117472 /nfs/dbraw/zinc/11/74/72/1126117472.db2.gz WNKAYFKBIPOOAM-HXUWFJFHSA-N 1 0 390.487 3.115 20 10 GGCDRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2ccc(N3CCC(OC)CC3)cc2)cc1 ZINC000933430010 1126139208 /nfs/dbraw/zinc/13/92/08/1126139208.db2.gz FAKCSHTVXAUOPN-XMMPIXPASA-N 1 0 398.547 3.394 20 10 GGCDRO COc1ccc(C[NH2+][C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)c(O)c1OC ZINC001334182361 1126179272 /nfs/dbraw/zinc/17/92/72/1126179272.db2.gz HWAWIPNOPLORDF-RDTXWAMCSA-N 1 0 385.382 3.034 20 10 GGCDRO Cc1nn(C)c(C)c1C[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000069714865 211126262 /nfs/dbraw/zinc/12/62/62/211126262.db2.gz DIJPFMTXFKJJHS-UHFFFAOYSA-N 1 0 382.430 3.182 20 10 GGCDRO COc1cc(Br)cc(C[NH2+][C@@]2(CO)CCc3ccccc32)c1O ZINC000135893486 564842279 /nfs/dbraw/zinc/84/22/79/564842279.db2.gz KEAXCRNBPCSJIK-GOSISDBHSA-N 1 0 378.266 3.087 20 10 GGCDRO COc1cc(Br)cc(C[NH2+][C@]2(CO)CCc3ccccc32)c1O ZINC000135893447 564842284 /nfs/dbraw/zinc/84/22/84/564842284.db2.gz KEAXCRNBPCSJIK-SFHVURJKSA-N 1 0 378.266 3.087 20 10 GGCDRO COc1cc(Br)cc(C[NH+]2CCC(c3nc(C)no3)CC2)c1O ZINC000091834086 564872764 /nfs/dbraw/zinc/87/27/64/564872764.db2.gz AJNGLMHGDCPZKR-UHFFFAOYSA-N 1 0 382.258 3.234 20 10 GGCDRO Oc1ccc(Br)cc1C[N@@H+]1CCCN(Cc2cscn2)CC1 ZINC000093015732 564883185 /nfs/dbraw/zinc/88/31/85/564883185.db2.gz OHPKKPVJWJTNGE-UHFFFAOYSA-N 1 0 382.327 3.319 20 10 GGCDRO Oc1ccc(Br)cc1C[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000093133792 564883987 /nfs/dbraw/zinc/88/39/87/564883987.db2.gz RXQZUHKVURSGER-GFCCVEGCSA-N 1 0 377.286 3.072 20 10 GGCDRO COc1cc(Br)cc(C[N@H+](C)[C@H]2CCCc3c2cnn3C)c1O ZINC000093863769 564891812 /nfs/dbraw/zinc/89/18/12/564891812.db2.gz FUBMTIRXNSYKQR-AWEZNQCLSA-N 1 0 380.286 3.406 20 10 GGCDRO Cc1nc(CC(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)cs1 ZINC000158064744 565153954 /nfs/dbraw/zinc/15/39/54/565153954.db2.gz UZOIXLPRRLIRPP-HNNXBMFYSA-N 1 0 379.913 3.134 20 10 GGCDRO C[C@H]([NH2+]CCc1nnc2n1CCCCC2)c1ccc(Br)cc1O ZINC000184955949 565167363 /nfs/dbraw/zinc/16/73/63/565167363.db2.gz LEMBPQPHLZGJAR-LBPRGKRZSA-N 1 0 379.302 3.366 20 10 GGCDRO C[C@@H]([NH2+]CCc1nnc2n1CCCCC2)c1ccc(Br)cc1O ZINC000184955973 565167910 /nfs/dbraw/zinc/16/79/10/565167910.db2.gz LEMBPQPHLZGJAR-GFCCVEGCSA-N 1 0 379.302 3.366 20 10 GGCDRO C[C@H]([NH2+]Cc1cccnc1N1CCOCC1)c1ccc(Br)cc1O ZINC000184986537 565168842 /nfs/dbraw/zinc/16/88/42/565168842.db2.gz YJEFKWZHMDLXJI-ZDUSSCGKSA-N 1 0 392.297 3.237 20 10 GGCDRO C[C@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1)c1cc(Cl)ccc1O ZINC000186041521 565236937 /nfs/dbraw/zinc/23/69/37/565236937.db2.gz FLDYNTBLCJXZJA-ZDUSSCGKSA-N 1 0 380.897 3.436 20 10 GGCDRO Cc1cc(Br)cc(C[NH2+]C2CCC(CS(C)(=O)=O)CC2)c1O ZINC000295156492 565248131 /nfs/dbraw/zinc/24/81/31/565248131.db2.gz RSLHVVIOXSIDPC-UHFFFAOYSA-N 1 0 390.343 3.156 20 10 GGCDRO Cc1cc(Br)cc(C[NH2+][C@H](CO)C[C@H](O)c2ccccc2)c1O ZINC000271869443 565271322 /nfs/dbraw/zinc/27/13/22/565271322.db2.gz XGIKGZCGAVQYFP-IRXDYDNUSA-N 1 0 380.282 3.037 20 10 GGCDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@H](c3nccn3C)C2)c1O ZINC000373229509 565275668 /nfs/dbraw/zinc/27/56/68/565275668.db2.gz OLGRTWYGRPOKJA-LBPRGKRZSA-N 1 0 380.286 3.276 20 10 GGCDRO CC[C@H]([NH2+]CCCCCS(C)(=O)=O)c1cc(Br)ccc1O ZINC000186850097 565290174 /nfs/dbraw/zinc/29/01/74/565290174.db2.gz HOIMDASDRGTWCR-AWEZNQCLSA-N 1 0 378.332 3.410 20 10 GGCDRO COCCOc1ncccc1C[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000273305035 565316318 /nfs/dbraw/zinc/31/63/18/565316318.db2.gz CNYFSMYHIKLCQM-GFCCVEGCSA-N 1 0 381.270 3.426 20 10 GGCDRO C[C@H]([NH2+]Cc1ccc(NS(C)(=O)=O)cc1)c1cc(Br)ccc1O ZINC000273374854 565318971 /nfs/dbraw/zinc/31/89/71/565318971.db2.gz HAGXBNBWQBYHTM-NSHDSACASA-N 1 0 399.310 3.377 20 10 GGCDRO C[C@H]([NH2+][C@@H](CO)C[C@@H](O)c1ccccc1)c1cc(Br)ccc1O ZINC000273455231 565321750 /nfs/dbraw/zinc/32/17/50/565321750.db2.gz GYYVFBVQDIMLIW-WBHUJUFNSA-N 1 0 380.282 3.290 20 10 GGCDRO C[C@H]([NH2+]CC1(N2CCCC2)CCOCC1)c1ccc(Br)cc1O ZINC000273587043 565326101 /nfs/dbraw/zinc/32/61/01/565326101.db2.gz OBEUEAIQGXNQEL-AWEZNQCLSA-N 1 0 383.330 3.450 20 10 GGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@H]2COC3(CCOCC3)O2)c1O ZINC000187487402 565335661 /nfs/dbraw/zinc/33/56/61/565335661.db2.gz JWNADKASOZIIFC-OCCSQVGLSA-N 1 0 386.286 3.036 20 10 GGCDRO Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1[NH2+]Cc1cc(Br)cc(C)c1O ZINC000275691144 565423991 /nfs/dbraw/zinc/42/39/91/565423991.db2.gz WYNUCBXVFVIMRO-YJBOKZPZSA-N 1 0 394.313 3.433 20 10 GGCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1cncc(Br)c1 ZINC000172188591 565472008 /nfs/dbraw/zinc/47/20/08/565472008.db2.gz HLLLRCJUOSTEQL-UHFFFAOYSA-N 1 0 376.298 3.313 20 10 GGCDRO C[C@H](O)c1ncc(C[NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)s1 ZINC000377616140 565489667 /nfs/dbraw/zinc/48/96/67/565489667.db2.gz OOWKCRJGXCAANX-SWLSCSKDSA-N 1 0 381.929 3.310 20 10 GGCDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)c1O ZINC000377626173 565490018 /nfs/dbraw/zinc/49/00/18/565490018.db2.gz LSLULNGTMUSLPL-CQSZACIVSA-N 1 0 398.219 3.443 20 10 GGCDRO Cc1cc(Br)cc(C[NH2+]C2CCN(c3cccnn3)CC2)c1O ZINC000277627813 565510935 /nfs/dbraw/zinc/51/09/35/565510935.db2.gz MTFSKANIAJFGIL-UHFFFAOYSA-N 1 0 377.286 3.012 20 10 GGCDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCc2cccc(Br)c2O)C1 ZINC000277783621 565519517 /nfs/dbraw/zinc/51/95/17/565519517.db2.gz RETFRNSKDMOYTJ-CYBMUJFWSA-N 1 0 384.318 3.074 20 10 GGCDRO COc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1Br ZINC000278629582 565569791 /nfs/dbraw/zinc/56/97/91/565569791.db2.gz GSUJXJQOLQCEDK-UHFFFAOYSA-N 1 0 397.225 3.370 20 10 GGCDRO CC[C@@H]([NH2+][C@@H]1CCCc2c1cnn2CCO)c1cc(Br)ccc1O ZINC000324375943 565617807 /nfs/dbraw/zinc/61/78/07/565617807.db2.gz MBEBKNWESCUHAH-HZPDHXFCSA-N 1 0 394.313 3.462 20 10 GGCDRO COC(=O)C[C@@](C)([NH2+]Cc1cc(Br)ccc1O)c1ccncc1 ZINC000191902441 565641107 /nfs/dbraw/zinc/64/11/07/565641107.db2.gz OHKXSAHTSXWKTQ-QGZVFWFLSA-N 1 0 379.254 3.118 20 10 GGCDRO COC(=O)C[C@](C)([NH2+]Cc1cc(Br)ccc1O)c1ccncc1 ZINC000191902449 565641755 /nfs/dbraw/zinc/64/17/55/565641755.db2.gz OHKXSAHTSXWKTQ-KRWDZBQOSA-N 1 0 379.254 3.118 20 10 GGCDRO CC[C@H]([NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1)c1ccc(C)cc1O ZINC000279975647 565644202 /nfs/dbraw/zinc/64/42/02/565644202.db2.gz DGCNXVWDVCLEDK-HNNXBMFYSA-N 1 0 376.469 3.006 20 10 GGCDRO CC[C@@H]([NH2+]C[C@H]1CCCS(=O)(=O)C1)c1cc(Br)ccc1O ZINC000286911008 565985587 /nfs/dbraw/zinc/98/55/87/565985587.db2.gz FBEPWTSCCOQLKS-BXUZGUMPSA-N 1 0 376.316 3.020 20 10 GGCDRO Cc1cc(Br)cc(C[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)c1O ZINC000180070489 566030760 /nfs/dbraw/zinc/03/07/60/566030760.db2.gz DGSDAPODYBOYHF-ZDUSSCGKSA-N 1 0 391.313 3.380 20 10 GGCDRO Cc1cc(Br)cc(C[NH+]2CCC([C@@H](O)c3nccn3C)CC2)c1O ZINC000180279956 566050029 /nfs/dbraw/zinc/05/00/29/566050029.db2.gz DVSRSUBVTSOELE-QGZVFWFLSA-N 1 0 394.313 3.142 20 10 GGCDRO COc1cccc(C[NH2+]Cc2cc(Br)c3c(c2)OCCO3)c1O ZINC000263705834 566194187 /nfs/dbraw/zinc/19/41/87/566194187.db2.gz SEMMPZYCGURRGX-UHFFFAOYSA-N 1 0 380.238 3.224 20 10 GGCDRO Cn1cc(/C=C2\SC(=S)N(CC(C)(C)C[NH+](C)C)C2=O)c(C(F)F)n1 ZINC000291560237 566225973 /nfs/dbraw/zinc/22/59/73/566225973.db2.gz NQPOFXJPEWPZEG-WDZFZDKYSA-N 1 0 388.509 3.147 20 10 GGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)c1 ZINC000826210584 608500262 /nfs/dbraw/zinc/50/02/62/608500262.db2.gz XEPPLAIKSOHIOF-JTQLQIEISA-N 1 0 391.378 3.033 20 10 GGCDRO c1cc(N2CC[NH+](CC3CC3)CC2)ccc1CNc1ccc(-c2nn[nH]n2)cc1 ZINC000826516871 608561143 /nfs/dbraw/zinc/56/11/43/608561143.db2.gz FRQFIJCPCVOZOO-UHFFFAOYSA-N 1 0 389.507 3.011 20 10 GGCDRO Oc1ccc(Cl)cc1C[NH+]1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826511061 608604227 /nfs/dbraw/zinc/60/42/27/608604227.db2.gz ADEMZGFOJWOGKX-UHFFFAOYSA-N 1 0 385.855 3.269 20 10 GGCDRO Oc1ccccc1C[N@H+](Cc1cnc2ccc(-c3nn[nH]n3)cn12)C1CCCC1 ZINC000826511174 608695928 /nfs/dbraw/zinc/69/59/28/608695928.db2.gz FQKLDOQTQLHABR-UHFFFAOYSA-N 1 0 389.463 3.165 20 10 GGCDRO CC[N@H+](Cc1ccc(-c2nn[nH]n2)s1)Cc1cc(Br)ccc1O ZINC000825435002 608748555 /nfs/dbraw/zinc/74/85/55/608748555.db2.gz IXNGZCGUDHSUDL-UHFFFAOYSA-N 1 0 394.298 3.418 20 10 GGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824530178 609328768 /nfs/dbraw/zinc/32/87/68/609328768.db2.gz JPUTYRNDZFUGGJ-LSDHHAIUSA-N 1 0 396.470 3.254 20 10 GGCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](CC)[C@@H](C)c1ccc(F)cc1)cc2=O ZINC000053088940 1406287378 /nfs/dbraw/zinc/28/73/78/1406287378.db2.gz IMBRFSHRSQUOSK-ZDUSSCGKSA-N 1 0 386.427 3.334 20 10 GGCDRO CC1(C)CC(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)CC(C)(C)[NH2+]1 ZINC000053954956 1406569027 /nfs/dbraw/zinc/56/90/27/1406569027.db2.gz GZZIIPDZLVIUPK-SFHVURJKSA-N 1 0 389.540 3.392 20 10 GGCDRO C[N@H+](CCNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)Cc1ccccc1 ZINC000054763296 1406820632 /nfs/dbraw/zinc/82/06/32/1406820632.db2.gz RGKMYVGOCMFUBG-OAQYLSRUSA-N 1 0 397.519 3.215 20 10 GGCDRO COc1ccc(N2CC[NH+](C[C@@H](O)COc3c(C)ccc(C)c3C)CC2)cc1 ZINC000054771877 1406821693 /nfs/dbraw/zinc/82/16/93/1406821693.db2.gz JXVDJQPCPDVPCQ-OAQYLSRUSA-N 1 0 384.520 3.182 20 10 GGCDRO CC[NH+](CC)[C@@H](CNC(=O)NCc1ccc(N2CCOCC2)cc1)CC(C)C ZINC000054786046 1406825411 /nfs/dbraw/zinc/82/54/11/1406825411.db2.gz JKZQIKFMVNDLAV-OAQYLSRUSA-N 1 0 390.572 3.079 20 10 GGCDRO COc1ccc(N2CC[NH+](CCCNC(=S)NC3CCCCC3)CC2)cc1 ZINC000007027500 1398586058 /nfs/dbraw/zinc/58/60/58/1398586058.db2.gz MNKLJGLQSXDJGO-UHFFFAOYSA-N 1 0 390.597 3.004 20 10 GGCDRO COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=S)NCC[NH+](C)C)cc1 ZINC000007101672 1398598359 /nfs/dbraw/zinc/59/83/59/1398598359.db2.gz XSQNBOSTPKHTKW-UHFFFAOYSA-N 1 0 386.565 3.204 20 10 GGCDRO COc1ccc(N2CCN(C(=O)C[N@H+](C)[C@H]3CCCc4ccccc43)CC2)cc1 ZINC000007274895 1398645328 /nfs/dbraw/zinc/64/53/28/1398645328.db2.gz WJPWVDSTUKRRTC-QHCPKHFHSA-N 1 0 393.531 3.353 20 10 GGCDRO C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000011193356 1398957676 /nfs/dbraw/zinc/95/76/76/1398957676.db2.gz SZBNOHBBGFDPJE-SFHVURJKSA-N 1 0 399.510 3.314 20 10 GGCDRO COc1ccc(N2CCN(CCC[NH2+]Cc3ccc(OC)cc3OC)CC2)cc1 ZINC000015186063 1399144024 /nfs/dbraw/zinc/14/40/24/1399144024.db2.gz NHCPLLKOFAEFIU-UHFFFAOYSA-N 1 0 399.535 3.014 20 10 GGCDRO COc1ccc(N2CCN(CCC[NH2+]Cc3cc(OC)cc(OC)c3)CC2)cc1 ZINC000015186144 1399144103 /nfs/dbraw/zinc/14/41/03/1399144103.db2.gz QMLYDKFOIFTXKL-UHFFFAOYSA-N 1 0 399.535 3.014 20 10 GGCDRO C[C@@H]1C[C@H](C)CN(C(=O)CN2CC[NH+](Cc3c(O)ccc4ccccc43)CC2)C1 ZINC000022946008 1399519318 /nfs/dbraw/zinc/51/93/18/1399519318.db2.gz GWTJHNCDWMJCHV-KDURUIRLSA-N 1 0 395.547 3.168 20 10 GGCDRO COc1ccc(N2CC[NH+](C[C@H](O)COc3cc(C)cc(C)c3C)CC2)cc1 ZINC000026780593 1399933301 /nfs/dbraw/zinc/93/33/01/1399933301.db2.gz RCHVTEUUTRVHOH-NRFANRHFSA-N 1 0 384.520 3.182 20 10 GGCDRO COc1ccc(N2CCCN(C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)CC2)cc1 ZINC000056383068 1407316570 /nfs/dbraw/zinc/31/65/70/1407316570.db2.gz VBOUAYUOEOVQQG-UHFFFAOYSA-N 1 0 388.556 3.226 20 10 GGCDRO COc1ccc([C@@H](CNC(=O)N(C)Cc2ccccc2O)[NH+]2CCCC2)cc1 ZINC000043110190 1403710562 /nfs/dbraw/zinc/71/05/62/1403710562.db2.gz BDYBAGIJNIIIKS-HXUWFJFHSA-N 1 0 383.492 3.379 20 10 GGCDRO C[NH+](C)Cc1cccc(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1 ZINC000047505581 1404854333 /nfs/dbraw/zinc/85/43/33/1404854333.db2.gz VRBNAQNPHNJFAW-UHFFFAOYSA-N 1 0 396.535 3.279 20 10 GGCDRO CCN(Cc1ccccc1)c1ccc(C[NH2+]CC(=O)NCC(F)(F)F)cc1 ZINC000048745809 1405280082 /nfs/dbraw/zinc/28/00/82/1405280082.db2.gz XQNPCFDODLTRCV-UHFFFAOYSA-N 1 0 379.426 3.481 20 10 GGCDRO Cc1ccc(C)n1-c1ccc(C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)cc1 ZINC000050802920 1405660281 /nfs/dbraw/zinc/66/02/81/1405660281.db2.gz YUBOJGUPNAZQLD-UHFFFAOYSA-N 1 0 394.563 3.383 20 10 GGCDRO CC[N@H+](CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)Cc1ccccc1C ZINC000051536786 1405828085 /nfs/dbraw/zinc/82/80/85/1405828085.db2.gz JAPUUNJKCKDTOP-UHFFFAOYSA-N 1 0 399.510 3.109 20 10 GGCDRO CC(C)[N@H+](CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)Cc1ccccc1 ZINC000051649217 1405844873 /nfs/dbraw/zinc/84/48/73/1405844873.db2.gz PUELGEAOYDURPV-UHFFFAOYSA-N 1 0 399.510 3.189 20 10 GGCDRO Cc1ccc([C@@H](C)[N@H+](C)CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000051907279 1405884285 /nfs/dbraw/zinc/88/42/85/1405884285.db2.gz DGFNPJVELXVJIQ-GOSISDBHSA-N 1 0 399.510 3.280 20 10 GGCDRO CN(C)c1ccc(CNC(=O)NC2CC[NH+](C3CCCCC3)CC2)cc1F ZINC000176285592 1428221900 /nfs/dbraw/zinc/22/19/00/1428221900.db2.gz QGCIWMMYRPTVSK-UHFFFAOYSA-N 1 0 376.520 3.488 20 10 GGCDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000056787864 1407433271 /nfs/dbraw/zinc/43/32/71/1407433271.db2.gz GAVYEDNBZAASCL-QZTJIDSGSA-N 1 0 390.597 3.159 20 10 GGCDRO COc1cccc([C@H](CNC(=O)NCc2ccc(N(C)C)c(F)c2)[NH+](C)C)c1 ZINC000057647843 1407676748 /nfs/dbraw/zinc/67/67/48/1407676748.db2.gz RKYAJYVHKWPAJI-FQEVSTJZSA-N 1 0 388.487 3.002 20 10 GGCDRO COc1ccc(C[NH2+]Cc2ccc(CS(=O)(=O)NC(C)C)cc2)cc1C ZINC000063549805 1408371088 /nfs/dbraw/zinc/37/10/88/1408371088.db2.gz APYRNHNDSSELIR-UHFFFAOYSA-N 1 0 376.522 3.121 20 10 GGCDRO CN(C)c1ccc(CNC(=O)N(CC[NH+](C)C)Cc2cccs2)cc1F ZINC000176465570 1428329344 /nfs/dbraw/zinc/32/93/44/1428329344.db2.gz JZWZRDCCEHEJLS-UHFFFAOYSA-N 1 0 378.517 3.227 20 10 GGCDRO C[NH+](C)CC(C)(C)CN1C(=O)/C(=C/c2ccc3c(c2)CCO3)SC1=S ZINC000066145094 1408784563 /nfs/dbraw/zinc/78/45/63/1408784563.db2.gz DUVCTXXAZJZPCY-YBEGLDIGSA-N 1 0 376.547 3.411 20 10 GGCDRO Cc1cc(C(=O)N[C@H](C)CN2CC[NH+](C)CC2)c(C)n1-c1cc(C)cc(C)c1 ZINC000176535401 1428354586 /nfs/dbraw/zinc/35/45/86/1428354586.db2.gz UUHHXYFPRBPWFE-GOSISDBHSA-N 1 0 382.552 3.077 20 10 GGCDRO COc1ccc(N2CCC([NH2+]Cc3ccc(N4CCOCC4)c(F)c3)CC2)cc1 ZINC000066992270 1408974156 /nfs/dbraw/zinc/97/41/56/1408974156.db2.gz NOIUQTLADAAJCR-UHFFFAOYSA-N 1 0 399.510 3.430 20 10 GGCDRO C[C@H](CNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)[NH+]1CCC(C)CC1 ZINC000067707929 1409211654 /nfs/dbraw/zinc/21/16/54/1409211654.db2.gz BFVGFBFYEIHMKS-UYAOXDASSA-N 1 0 389.540 3.203 20 10 GGCDRO C[C@@H](CNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)[NH+]1CCC(C)CC1 ZINC000067707926 1409211853 /nfs/dbraw/zinc/21/18/53/1409211853.db2.gz BFVGFBFYEIHMKS-AZUAARDMSA-N 1 0 389.540 3.203 20 10 GGCDRO Cc1cc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)c(C)n1-c1ccccn1 ZINC000068232240 1409336090 /nfs/dbraw/zinc/33/60/90/1409336090.db2.gz YWVKROXFJCIOOY-UHFFFAOYSA-N 1 0 389.503 3.493 20 10 GGCDRO CN(C)c1ccc(C[NH2+]Cc2ccccc2S(=O)(=O)NC(C)(C)C)cc1 ZINC000068411732 1409394844 /nfs/dbraw/zinc/39/48/44/1409394844.db2.gz YQTHGWQXSJMOQZ-UHFFFAOYSA-N 1 0 375.538 3.119 20 10 GGCDRO C[C@H](NC(=O)NCCC[NH+]1CCC(C)CC1)c1ccc(N2CCOCC2)cc1 ZINC000068480512 1409413413 /nfs/dbraw/zinc/41/34/13/1409413413.db2.gz TUQXBCJWWJLQJW-IBGZPJMESA-N 1 0 388.556 3.005 20 10 GGCDRO CC[NH+](CC)C1CCN(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)CC1 ZINC000068549173 1409435426 /nfs/dbraw/zinc/43/54/26/1409435426.db2.gz BIFYHMQAXOKOKT-SFHVURJKSA-N 1 0 388.556 3.100 20 10 GGCDRO CCc1cc(C[NH+]2CCC(C(=O)N3CCOCC3)CC2)c(O)c(C(C)(C)C)c1 ZINC000069005279 1409542406 /nfs/dbraw/zinc/54/24/06/1409542406.db2.gz KNDGJQBYFHCHGJ-UHFFFAOYSA-N 1 0 388.552 3.323 20 10 GGCDRO COc1ccc(N2CCC([NH2+][C@H](C(=O)NC3CC3)c3ccc(F)cc3)CC2)cc1 ZINC000069163674 1409578978 /nfs/dbraw/zinc/57/89/78/1409578978.db2.gz KBWWILBIHAACFL-QFIPXVFZSA-N 1 0 397.494 3.413 20 10 GGCDRO CC(C)[C@H](C)[N@@H+]1Cc2cccc(NC(=O)C(=O)N(C)Cc3ccccc3O)c2C1 ZINC000069932118 1409727724 /nfs/dbraw/zinc/72/77/24/1409727724.db2.gz XJTMOANDQNIJDZ-INIZCTEOSA-N 1 0 395.503 3.349 20 10 GGCDRO CN(C)c1ccc(CNC(=O)C[NH+]2CCC(OCc3ccccc3F)CC2)cc1 ZINC000091867613 1410088144 /nfs/dbraw/zinc/08/81/44/1410088144.db2.gz OBUUHBNEJNEQQN-UHFFFAOYSA-N 1 0 399.510 3.189 20 10 GGCDRO CN(C)c1ccc(CNC(=O)C[NH+]2CCC(OCc3ccc(F)cc3)CC2)cc1 ZINC000091888524 1410089656 /nfs/dbraw/zinc/08/96/56/1410089656.db2.gz TYNZSEFUPWJXFK-UHFFFAOYSA-N 1 0 399.510 3.189 20 10 GGCDRO CCN(CC)c1ccc(C[N@H+](C)[C@@H](C)c2cccc(S(N)(=O)=O)c2)cc1 ZINC000092585812 1410175280 /nfs/dbraw/zinc/17/52/80/1410175280.db2.gz KCXGKRWPWRQJDO-INIZCTEOSA-N 1 0 375.538 3.373 20 10 GGCDRO CCN(CC)c1ccc(C[N@H+](C)[C@H](C)c2cccc(S(N)(=O)=O)c2)cc1 ZINC000092585813 1410175833 /nfs/dbraw/zinc/17/58/33/1410175833.db2.gz KCXGKRWPWRQJDO-MRXNPFEDSA-N 1 0 375.538 3.373 20 10 GGCDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(Cc2cc(Br)ccc2O)CC1 ZINC000092664330 1410183285 /nfs/dbraw/zinc/18/32/85/1410183285.db2.gz OAYMHXUMRXBVNQ-HOTGVXAUSA-N 1 0 396.373 3.145 20 10 GGCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)c1 ZINC000092668936 1410187831 /nfs/dbraw/zinc/18/78/31/1410187831.db2.gz YRZMBPNXPNDUPO-FQEVSTJZSA-N 1 0 380.536 3.130 20 10 GGCDRO CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2cc(Br)cc(OC)c2O)C1 ZINC000092710167 1410193793 /nfs/dbraw/zinc/19/37/93/1410193793.db2.gz VAQLPBXJCLWDTF-CYBMUJFWSA-N 1 0 399.329 3.292 20 10 GGCDRO Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@H+](Cc3cc(C)ccc3O)C2)cc1 ZINC000092964408 1410211720 /nfs/dbraw/zinc/21/17/20/1410211720.db2.gz RPCUYSISPZFLII-SFHVURJKSA-N 1 0 388.533 3.200 20 10 GGCDRO Cc1cc(C(=O)NC2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)c(C)o1 ZINC000093009375 1410214995 /nfs/dbraw/zinc/21/49/95/1410214995.db2.gz BXDSDBOOGUKXNI-UHFFFAOYSA-N 1 0 397.519 3.127 20 10 GGCDRO CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000093083883 1410221150 /nfs/dbraw/zinc/22/11/50/1410221150.db2.gz XIGPTIDDJLSCJE-UHFFFAOYSA-N 1 0 399.510 3.386 20 10 GGCDRO O=c1cc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)c2ccc(O)cc2o1 ZINC000176798281 1428465530 /nfs/dbraw/zinc/46/55/30/1428465530.db2.gz IJIGQVMZVMETOW-SFHVURJKSA-N 1 0 381.428 3.385 20 10 GGCDRO COc1ccc(OC)c(C[N@H+](CCO)Cc2cc(Br)ccc2O)c1 ZINC000093361417 1410239459 /nfs/dbraw/zinc/23/94/59/1410239459.db2.gz ABDSGBJHHZHWLW-UHFFFAOYSA-N 1 0 396.281 3.166 20 10 GGCDRO O=C1CCCCN1CC1CC[NH+](Cc2cc(Br)ccc2O)CC1 ZINC000093531977 1410250129 /nfs/dbraw/zinc/25/01/29/1410250129.db2.gz PJPNUYQLEHYASB-UHFFFAOYSA-N 1 0 381.314 3.379 20 10 GGCDRO O=C1OCCN1c1cccc2c1CC[N@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC000093740593 1410262659 /nfs/dbraw/zinc/26/26/59/1410262659.db2.gz UQYIKDGGFNGMAT-UHFFFAOYSA-N 1 0 393.487 3.038 20 10 GGCDRO CCN(C[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1)CC(F)(F)F ZINC000093770994 1410265380 /nfs/dbraw/zinc/26/53/80/1410265380.db2.gz RTLNBQXRTUTUDB-GOSISDBHSA-N 1 0 385.474 3.229 20 10 GGCDRO CC[NH+]1CCC(NC(=O)CN(Cc2ccccc2)c2ccc(OC)cc2)CC1 ZINC000096982127 1410342135 /nfs/dbraw/zinc/34/21/35/1410342135.db2.gz WAMKPOFCCQWIJC-UHFFFAOYSA-N 1 0 381.520 3.302 20 10 GGCDRO Cc1cc(C(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)c(C)n1-c1ccccc1C ZINC000097288537 1410363315 /nfs/dbraw/zinc/36/33/15/1410363315.db2.gz FZLUULQJYTWHIN-HSZRJFAPSA-N 1 0 396.579 3.404 20 10 GGCDRO O=C(Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)c1ccc2nccnc2c1 ZINC000098022131 1410394518 /nfs/dbraw/zinc/39/45/18/1410394518.db2.gz NNUCNALIUQOVDP-UHFFFAOYSA-N 1 0 387.487 3.414 20 10 GGCDRO CCc1cc(C[NH+]2CCC(NS(=O)(=O)CC)CC2)c(O)c(C(C)(C)C)c1 ZINC000098051483 1410402542 /nfs/dbraw/zinc/40/25/42/1410402542.db2.gz WVMIYIRWTYAMME-UHFFFAOYSA-N 1 0 382.570 3.156 20 10 GGCDRO Oc1ccccc1C[N@H+](C[C@H](O)COCc1ccccc1F)C[C@H]1CCCO1 ZINC000098072156 1410406919 /nfs/dbraw/zinc/40/69/19/1410406919.db2.gz XZWZGGPSEUQMLF-VQTJNVASSA-N 1 0 389.467 3.090 20 10 GGCDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000101993285 1410538961 /nfs/dbraw/zinc/53/89/61/1410538961.db2.gz PGMJUOFPEDIIDB-QRVBRYPASA-N 1 0 388.556 3.004 20 10 GGCDRO COc1ccc(N2CCC([NH2+]Cc3ccc(OC)c(OC)c3OC)CC2)cc1 ZINC000102432851 1410626947 /nfs/dbraw/zinc/62/69/47/1410626947.db2.gz OQCMVMBKSRZCBY-UHFFFAOYSA-N 1 0 386.492 3.480 20 10 GGCDRO CC[N@H+](C)[C@H](C(=O)NCc1ccc(N2CCC(CO)CC2)cc1)c1ccccc1 ZINC000103190467 1410836482 /nfs/dbraw/zinc/83/64/82/1410836482.db2.gz ZJOUECPIWWXWCO-QHCPKHFHSA-N 1 0 395.547 3.205 20 10 GGCDRO COc1ccc(O)c([C@H](C)NC(=O)NC[C@H](C)[N@@H+]2CCc3ccccc3C2)c1 ZINC000103508178 1410864673 /nfs/dbraw/zinc/86/46/73/1410864673.db2.gz PJBAHDOTYGCFPH-HOTGVXAUSA-N 1 0 383.492 3.208 20 10 GGCDRO COc1ccc(O)c([C@H](C)NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000103503348 1410864757 /nfs/dbraw/zinc/86/47/57/1410864757.db2.gz SLCSGTUTRDLHOG-INIZCTEOSA-N 1 0 383.492 3.426 20 10 GGCDRO CC(C)[C@H](CNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)[NH+]1CCCC1 ZINC000105194117 1411040409 /nfs/dbraw/zinc/04/04/09/1411040409.db2.gz MYDNGHUXRIZPAV-RXVVDRJESA-N 1 0 388.556 3.004 20 10 GGCDRO COc1ccc(N2CCC(NC(=O)NC[C@H](C(C)C)[NH+]3CCCC3)CC2)cc1 ZINC000105228512 1411044685 /nfs/dbraw/zinc/04/46/85/1411044685.db2.gz AINVBAPGFBOBMG-OAQYLSRUSA-N 1 0 388.556 3.084 20 10 GGCDRO CCN1CC[NH+](CCCCNC(=O)c2sccc2-n2c(C)ccc2C)CC1 ZINC000105318000 1411054313 /nfs/dbraw/zinc/05/43/13/1411054313.db2.gz SUNZEMFCGAVSQJ-UHFFFAOYSA-N 1 0 388.581 3.303 20 10 GGCDRO Brc1ccc(OCC[NH2+]Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000105461943 1411069354 /nfs/dbraw/zinc/06/93/54/1411069354.db2.gz CNWQWABEAUKEAA-UHFFFAOYSA-N 1 0 391.309 3.454 20 10 GGCDRO COc1ccc(C[NH2+]Cc2cc(OC)c(OC)cc2Br)c(O)c1 ZINC000105487645 1411071848 /nfs/dbraw/zinc/07/18/48/1411071848.db2.gz IUXDZCMUJHGHEW-UHFFFAOYSA-N 1 0 382.254 3.470 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)Nc3cccnc3Cl)cc2F)CC1 ZINC000106506587 1411225431 /nfs/dbraw/zinc/22/54/31/1411225431.db2.gz RTNOHQDMYGSAPK-UHFFFAOYSA-N 1 0 391.878 3.338 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)Nc3ccc(C(C)=O)cc3)cc2F)CC1 ZINC000106506685 1411226779 /nfs/dbraw/zinc/22/67/79/1411226779.db2.gz YNGHFLHLFGJJDV-UHFFFAOYSA-N 1 0 398.482 3.492 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N(C)[C@@H](C)c3ccncc3)cc2F)CC1 ZINC000106584767 1411256650 /nfs/dbraw/zinc/25/66/50/1411256650.db2.gz JOOUCJWMDFXIRP-KRWDZBQOSA-N 1 0 399.514 3.265 20 10 GGCDRO CCN(C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1)C1CCCC1 ZINC000106584897 1411258272 /nfs/dbraw/zinc/25/82/72/1411258272.db2.gz LAOWWYYZHCCLDG-UHFFFAOYSA-N 1 0 376.520 3.442 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N(C)CC3CCCC3)cc2F)CC1 ZINC000106584794 1411258781 /nfs/dbraw/zinc/25/87/81/1411258781.db2.gz IUPHKHUCAMMREY-UHFFFAOYSA-N 1 0 376.520 3.299 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)CSc3ccccc3)cc2F)CC1 ZINC000106701995 1411280040 /nfs/dbraw/zinc/28/00/40/1411280040.db2.gz FQUKMDLOPLPKQR-UHFFFAOYSA-N 1 0 387.524 3.376 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3cccc(F)c3F)cc2F)CC1 ZINC000106702605 1411280807 /nfs/dbraw/zinc/28/08/07/1411280807.db2.gz PNDBCLGUUJYSID-UHFFFAOYSA-N 1 0 377.410 3.176 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3ccc4cc[nH]c4c3)cc2F)CC1 ZINC000106702630 1411281100 /nfs/dbraw/zinc/28/11/00/1411281100.db2.gz XIWBTFKHJMFMJM-UHFFFAOYSA-N 1 0 380.467 3.379 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H](C)Oc3ccccc3)cc2F)CC1 ZINC000106702638 1411281181 /nfs/dbraw/zinc/28/11/81/1411281181.db2.gz HPVZZMGPBYAYPX-QGZVFWFLSA-N 1 0 385.483 3.051 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)CCOCc3ccccc3)cc2F)CC1 ZINC000106702713 1411281294 /nfs/dbraw/zinc/28/12/94/1411281294.db2.gz QBZNEJVTRVQCCZ-UHFFFAOYSA-N 1 0 399.510 3.191 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@@](C)(OC)c3ccccc3)cc2F)CC1 ZINC000106702292 1411281397 /nfs/dbraw/zinc/28/13/97/1411281397.db2.gz LGQUNNUJJQECHJ-QHCPKHFHSA-N 1 0 399.510 3.146 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CCOc4ccccc43)cc2F)CC1 ZINC000106702689 1411281413 /nfs/dbraw/zinc/28/14/13/1411281413.db2.gz UXKGCJIVLGMRNR-LJQANCHMSA-N 1 0 397.494 3.150 20 10 GGCDRO CC[NH+]1CCN([C@H]2CCN(C(=O)c3sccc3-n3c(C)ccc3C)C2)CC1 ZINC000106805895 1411304754 /nfs/dbraw/zinc/30/47/54/1411304754.db2.gz YMZBUBYCHCAXNA-SFHVURJKSA-N 1 0 386.565 3.008 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3cc(-c4ccco4)on3)cc2F)CC1 ZINC000106829866 1411307779 /nfs/dbraw/zinc/30/77/79/1411307779.db2.gz GUIOQAQSUJIICM-UHFFFAOYSA-N 1 0 398.438 3.146 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)CCc3cccc(OC)c3)cc2F)CC1 ZINC000106829802 1411307829 /nfs/dbraw/zinc/30/78/29/1411307829.db2.gz ZRJRYFHFVYVIOK-UHFFFAOYSA-N 1 0 399.510 3.225 20 10 GGCDRO O[C@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1)c1cccc(C(F)(F)F)c1 ZINC000107713579 1411401123 /nfs/dbraw/zinc/40/11/23/1411401123.db2.gz QXCNCGQZSNTXQD-LJQANCHMSA-N 1 0 380.410 3.365 20 10 GGCDRO COc1ccc(N(C)CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1F ZINC000177065120 1428575244 /nfs/dbraw/zinc/57/52/44/1428575244.db2.gz NJRNXTZXVRFWEO-UHFFFAOYSA-N 1 0 385.483 3.183 20 10 GGCDRO O=C(/C=C/c1ccc(N2CCOCC2)cc1)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000108676811 1411567935 /nfs/dbraw/zinc/56/79/35/1411567935.db2.gz PTBVHGRVKZKMMX-CLNPQZTCSA-N 1 0 395.503 3.083 20 10 GGCDRO Cc1cc(C(=O)N2CCC(OCCC[NH+](C)C)CC2)c(C)n1-c1ccccn1 ZINC000177087022 1428583158 /nfs/dbraw/zinc/58/31/58/1428583158.db2.gz VRXKNJRWQJQUGJ-UHFFFAOYSA-N 1 0 384.524 3.062 20 10 GGCDRO C[C@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)C(=O)N(C)Cc1cccc(F)c1 ZINC000109347502 1411745828 /nfs/dbraw/zinc/74/58/28/1411745828.db2.gz BFDGADZNQKJHAZ-ROUUACIJSA-N 1 0 399.510 3.360 20 10 GGCDRO CCC[N@@H+]1CCCC[C@@H]1C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000109444057 1411764879 /nfs/dbraw/zinc/76/48/79/1411764879.db2.gz GMQCSRARAYFFTE-LLGFUMIMSA-N 1 0 391.531 3.320 20 10 GGCDRO C[N@H+](CC(=O)NCCOc1cccc(C(F)(F)F)c1)Cc1ccccc1O ZINC000111235419 1411896892 /nfs/dbraw/zinc/89/68/92/1411896892.db2.gz GJNJKVBZMPOUBG-UHFFFAOYSA-N 1 0 382.382 3.038 20 10 GGCDRO O=C(CCC[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)N1CCc2ccccc21 ZINC000111409634 1411945929 /nfs/dbraw/zinc/94/59/29/1411945929.db2.gz YCYSLRRVFFUJIF-UHFFFAOYSA-N 1 0 397.494 3.121 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3ccc(SC)o3)cc2F)CC1 ZINC000112246305 1412101119 /nfs/dbraw/zinc/10/11/19/1412101119.db2.gz AKXRTCRVIVZVSJ-UHFFFAOYSA-N 1 0 377.485 3.213 20 10 GGCDRO CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+]Cc2ccc(N(C)C)c(F)c2)cc1 ZINC000113327947 1412293398 /nfs/dbraw/zinc/29/33/98/1412293398.db2.gz KANHXXIRWUHLQQ-UHFFFAOYSA-N 1 0 393.528 3.210 20 10 GGCDRO Cc1ccc(O)c(C[NH2+]CCCNC(=O)c2ccc(Br)cc2)c1 ZINC000113332986 1412293857 /nfs/dbraw/zinc/29/38/57/1412293857.db2.gz PULZVZUWNRVURA-UHFFFAOYSA-N 1 0 377.282 3.373 20 10 GGCDRO O=S(=O)(c1ccccc1)N1CCC(C[NH2+]Cc2c(O)cccc2Cl)CC1 ZINC000113336827 1412294121 /nfs/dbraw/zinc/29/41/21/1412294121.db2.gz RQSUSSJBVYACQA-UHFFFAOYSA-N 1 0 394.924 3.236 20 10 GGCDRO Cc1nn(C)c(Cl)c1C[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000113359162 1412297906 /nfs/dbraw/zinc/29/79/06/1412297906.db2.gz OULHOKRFOGPUOM-HNNXBMFYSA-N 1 0 383.323 3.495 20 10 GGCDRO COc1cccc(C[NH2+][C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)c1O ZINC000113960564 1412359726 /nfs/dbraw/zinc/35/97/26/1412359726.db2.gz OFZXWGIMKOGHPX-OAHLLOKOSA-N 1 0 380.366 3.315 20 10 GGCDRO COc1ccc(O)c(C[NH2+]Cc2cn(C)nc2-c2ccc3c(c2)OCCCO3)c1 ZINC000114506188 1412448152 /nfs/dbraw/zinc/44/81/52/1412448152.db2.gz BTDQCYUABDLSEY-UHFFFAOYSA-N 1 0 395.459 3.252 20 10 GGCDRO COc1ccc(O)c(CNC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)c1 ZINC000114583423 1412466675 /nfs/dbraw/zinc/46/66/75/1412466675.db2.gz BXDLDLYRGNPXEG-MRXNPFEDSA-N 1 0 375.494 3.099 20 10 GGCDRO COc1ccc(O)c(CNC(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000114593022 1412470103 /nfs/dbraw/zinc/47/01/03/1412470103.db2.gz IIVUFCNGRJRMJQ-OAHLLOKOSA-N 1 0 389.521 3.174 20 10 GGCDRO COc1ccc(O)c(CNC(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)c1 ZINC000114592923 1412470355 /nfs/dbraw/zinc/47/03/55/1412470355.db2.gz RCJWHEIANOAZRU-FQEVSTJZSA-N 1 0 383.492 3.346 20 10 GGCDRO C[C@H]([N@H+](C)CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)C1(C)CC1 ZINC000177253284 1428654858 /nfs/dbraw/zinc/65/48/58/1428654858.db2.gz SRTWMNBJMVJESN-ZACQAIPSSA-N 1 0 391.531 3.176 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CCC[C@H]3c3ccc[nH]3)cc2F)CC1 ZINC000114961905 1412557377 /nfs/dbraw/zinc/55/73/77/1412557377.db2.gz TUNUTQTZEUNGGE-NRFANRHFSA-N 1 0 399.514 3.342 20 10 GGCDRO Cc1cc(N(C)C)ccc1CNC(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000115660529 1412750654 /nfs/dbraw/zinc/75/06/54/1412750654.db2.gz LCBFVGNBRZCPHT-UHFFFAOYSA-N 1 0 384.524 3.001 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N(CC3CC3)CC3CC3)cc2F)CC1 ZINC000115824385 1412799741 /nfs/dbraw/zinc/79/97/41/1412799741.db2.gz APPIFIAMLQHXQH-UHFFFAOYSA-N 1 0 388.531 3.299 20 10 GGCDRO C[NH+](C)CC[C@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)C(C)(C)C ZINC000116423013 1412858130 /nfs/dbraw/zinc/85/81/30/1412858130.db2.gz QMPMFOHHZSWGMO-IBGZPJMESA-N 1 0 392.613 3.405 20 10 GGCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000116438541 1412860239 /nfs/dbraw/zinc/86/02/39/1412860239.db2.gz BFXDYNAKLZDGBJ-FQEVSTJZSA-N 1 0 390.572 3.031 20 10 GGCDRO COc1ccc(N2CCC(NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CC2)cc1 ZINC000116438679 1412860733 /nfs/dbraw/zinc/86/07/33/1412860733.db2.gz KGHLUKJQXWPNKD-FQEVSTJZSA-N 1 0 390.572 3.330 20 10 GGCDRO COc1ccc(O)c(CNC(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)c1 ZINC000116552377 1412876136 /nfs/dbraw/zinc/87/61/36/1412876136.db2.gz WYXXDKOAHZSEHA-INIZCTEOSA-N 1 0 383.492 3.426 20 10 GGCDRO C[NH+](C)CC[C@@H](NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)C(C)(C)C ZINC000116566168 1412878524 /nfs/dbraw/zinc/87/85/24/1412878524.db2.gz SSMGGSLNNPNHPK-UYAOXDASSA-N 1 0 391.556 3.449 20 10 GGCDRO C[NH+](C)CC[C@H](NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)C(C)(C)C ZINC000116566170 1412878630 /nfs/dbraw/zinc/87/86/30/1412878630.db2.gz SSMGGSLNNPNHPK-QUCCMNQESA-N 1 0 391.556 3.449 20 10 GGCDRO CC(C)[N@H+](CC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)C1CCC1 ZINC000119702994 1413538547 /nfs/dbraw/zinc/53/85/47/1413538547.db2.gz WCCXVJCIQJPEKR-CALCHBBNSA-N 1 0 391.531 3.318 20 10 GGCDRO CC(C)(C)c1cc(C[NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000119938150 1413623800 /nfs/dbraw/zinc/62/38/00/1413623800.db2.gz BRFXWSCUJAGRCA-OAHLLOKOSA-N 1 0 396.597 3.358 20 10 GGCDRO CC(C)[C@@H](C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl)N1CCOCC1 ZINC000120055561 1413669772 /nfs/dbraw/zinc/66/97/72/1413669772.db2.gz TVKXTDDDAMPZKJ-DYESRHJHSA-N 1 0 395.975 3.184 20 10 GGCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](Cc1ccc(C)s1)C(C)C)cc2=O ZINC000120164143 1413714109 /nfs/dbraw/zinc/71/41/09/1413714109.db2.gz AZIFGLCSVGVNPK-UHFFFAOYSA-N 1 0 388.493 3.392 20 10 GGCDRO CCN(C(=O)[C@H](C)[N@H+](C)Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000120863567 1413930586 /nfs/dbraw/zinc/93/05/86/1413930586.db2.gz AKCROTDIKNGHDC-IBGZPJMESA-N 1 0 381.520 3.397 20 10 GGCDRO COc1ccc(N2CC[NH+](CCCNC(=O)N[C@@H]3CCC[C@@H](C)C3)CC2)cc1 ZINC000121195393 1414040825 /nfs/dbraw/zinc/04/08/25/1414040825.db2.gz QJUIMTFUGADSFW-RTBURBONSA-N 1 0 388.556 3.085 20 10 GGCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000121307840 1414078907 /nfs/dbraw/zinc/07/89/07/1414078907.db2.gz CGODTCWJRAJWFM-UHFFFAOYSA-N 1 0 399.510 3.131 20 10 GGCDRO Cc1cc(C)c(O)c(C[NH+]2CCN(CC(=O)Nc3c(C)cccc3C)CC2)c1 ZINC000121559574 1414177720 /nfs/dbraw/zinc/17/77/20/1414177720.db2.gz ARIDNISZCAXLCT-UHFFFAOYSA-N 1 0 381.520 3.382 20 10 GGCDRO CCc1ccccc1NC(=O)CN1CC[NH+](Cc2cc(C)cc(C)c2O)CC1 ZINC000121624974 1414204896 /nfs/dbraw/zinc/20/48/96/1414204896.db2.gz SNLMPVBLRWRKNY-UHFFFAOYSA-N 1 0 381.520 3.328 20 10 GGCDRO C[C@H]([NH2+]CCN1CCc2ccccc2C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000121735198 1414240713 /nfs/dbraw/zinc/24/07/13/1414240713.db2.gz TYGKTVBKOMARIA-SFHVURJKSA-N 1 0 383.511 3.371 20 10 GGCDRO COc1cccc(CNC(=O)NC2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)c1O ZINC000121829626 1414271199 /nfs/dbraw/zinc/27/11/99/1414271199.db2.gz VIWVKJPQYADVBV-IAGOWNOFSA-N 1 0 397.519 3.357 20 10 GGCDRO Cc1cc(C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)c(C)n1-c1ccccc1C ZINC000121991969 1414333830 /nfs/dbraw/zinc/33/38/30/1414333830.db2.gz FJQYAJPXLCRCHZ-KRWDZBQOSA-N 1 0 382.552 3.016 20 10 GGCDRO COc1cc(Br)cc(C[N@H+](CCC(N)=O)Cc2ccccc2)c1O ZINC000122083156 1414358829 /nfs/dbraw/zinc/35/88/29/1414358829.db2.gz QTTKHSWONBIYJB-UHFFFAOYSA-N 1 0 393.281 3.041 20 10 GGCDRO CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000122166602 1414378164 /nfs/dbraw/zinc/37/81/64/1414378164.db2.gz KYZBABHIMSARHW-MSOLQXFVSA-N 1 0 393.503 3.198 20 10 GGCDRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000122189281 1414383729 /nfs/dbraw/zinc/38/37/29/1414383729.db2.gz QUQXQYDJIGEJHC-RTBURBONSA-N 1 0 375.513 3.059 20 10 GGCDRO COc1cccc(C(=O)Nc2cccc(N3CC[NH+](C(C)C)CC3)c2)c1OC ZINC000122291664 1414414719 /nfs/dbraw/zinc/41/47/19/1414414719.db2.gz INUZOBONGKDRTB-UHFFFAOYSA-N 1 0 383.492 3.487 20 10 GGCDRO COc1ccc(N2CCC([NH2+][C@@H](C)CS(=O)(=O)c3ccccc3)CC2)cc1 ZINC000122307241 1414419110 /nfs/dbraw/zinc/41/91/10/1414419110.db2.gz FZDVPOOENPYFIJ-KRWDZBQOSA-N 1 0 388.533 3.116 20 10 GGCDRO COc1ccc(OC)c(C(=O)Nc2cccc(N3CC[NH+](C(C)C)CC3)c2)c1 ZINC000122338188 1414427893 /nfs/dbraw/zinc/42/78/93/1414427893.db2.gz HBIVUNSANJNZKK-UHFFFAOYSA-N 1 0 383.492 3.487 20 10 GGCDRO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)C(=O)N(C)Cc3ccccc3O)cc2)C1 ZINC000122364525 1414435888 /nfs/dbraw/zinc/43/58/88/1414435888.db2.gz ITQADDFQTPRIHF-QGZVFWFLSA-N 1 0 395.503 3.221 20 10 GGCDRO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)C(=O)N(C)Cc3ccccc3O)cc2)C1 ZINC000122364761 1414436480 /nfs/dbraw/zinc/43/64/80/1414436480.db2.gz ITQADDFQTPRIHF-KRWDZBQOSA-N 1 0 395.503 3.221 20 10 GGCDRO O=C(NCc1ccc(N2CCSCC2)cc1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000122471047 1414472385 /nfs/dbraw/zinc/47/23/85/1414472385.db2.gz HJIWQRCGZBRILY-HXUWFJFHSA-N 1 0 388.581 3.010 20 10 GGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000122700039 1414542605 /nfs/dbraw/zinc/54/26/05/1414542605.db2.gz QHHKEBROZTUCRZ-KRWDZBQOSA-N 1 0 387.549 3.452 20 10 GGCDRO Cc1ccc(C(=O)Nc2ccc(N3CCC(C[NH+](C)C)CC3)cc2)c(O)c1O ZINC000177687084 1428833970 /nfs/dbraw/zinc/83/39/70/1428833970.db2.gz PHKKFLDVFQQFTB-UHFFFAOYSA-N 1 0 383.492 3.437 20 10 GGCDRO COc1ccc(CN(C)C(=O)C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)cc1 ZINC000123492686 1414750877 /nfs/dbraw/zinc/75/08/77/1414750877.db2.gz SBZXPDZWQVRYPY-OAQYLSRUSA-N 1 0 398.503 3.040 20 10 GGCDRO Cc1ccc(C(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)c(O)c1O ZINC000177685722 1428833273 /nfs/dbraw/zinc/83/32/73/1428833273.db2.gz HKWPJVPYUMHZLJ-INIZCTEOSA-N 1 0 384.476 3.036 20 10 GGCDRO COc1cccc(CN(C)C(=O)C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC000123495738 1414751544 /nfs/dbraw/zinc/75/15/44/1414751544.db2.gz DJLXALJQZJRBDG-NRFANRHFSA-N 1 0 398.503 3.040 20 10 GGCDRO CC(C)(C)c1cc(NC(=O)CN(Cc2ccccc2O)C[C@@H]2CCCO2)on1 ZINC000123516603 1414759438 /nfs/dbraw/zinc/75/94/38/1414759438.db2.gz QBXHIXQPVHWRDJ-INIZCTEOSA-N 1 0 387.480 3.297 20 10 GGCDRO CC(C)(C)c1cc(NC(=O)CN(Cc2ccccc2O)C[C@H]2CCCO2)on1 ZINC000123516786 1414759752 /nfs/dbraw/zinc/75/97/52/1414759752.db2.gz QBXHIXQPVHWRDJ-MRXNPFEDSA-N 1 0 387.480 3.297 20 10 GGCDRO Cc1ccccc1CN(C)C(=O)C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000123534697 1414766406 /nfs/dbraw/zinc/76/64/06/1414766406.db2.gz IFOIVISGGWNUSU-NRFANRHFSA-N 1 0 382.504 3.340 20 10 GGCDRO COc1ccc(N2CCC(NC(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)CC2)cc1 ZINC000177714018 1428840770 /nfs/dbraw/zinc/84/07/70/1428840770.db2.gz DPVVCMIBSWXJGN-SFHVURJKSA-N 1 0 385.552 3.435 20 10 GGCDRO COc1cc(Br)cc(C[NH2+]C[C@@H](O)c2c(F)cccc2F)c1O ZINC000123966795 1414858826 /nfs/dbraw/zinc/85/88/26/1414858826.db2.gz RWQSUWRQMLBBAY-CYBMUJFWSA-N 1 0 388.208 3.265 20 10 GGCDRO CCOc1cccc(C[NH2+]CCCC(=O)N2CCN(c3ccccc3)CC2)c1O ZINC000124150916 1414895963 /nfs/dbraw/zinc/89/59/63/1414895963.db2.gz OIKWKZQHYICSPC-UHFFFAOYSA-N 1 0 397.519 3.010 20 10 GGCDRO CC[C@H]([NH2+]CC(=O)N1CCN(c2ccc(OC)cc2)CC1)c1ccc(OC)cc1 ZINC000124179705 1414901757 /nfs/dbraw/zinc/90/17/57/1414901757.db2.gz JCYGMIVCHSSBGH-QFIPXVFZSA-N 1 0 397.519 3.093 20 10 GGCDRO Cn1c(CCC[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)nc2ccccc21 ZINC000124409607 1414961136 /nfs/dbraw/zinc/96/11/36/1414961136.db2.gz ITDBVNXAQNFZBN-UHFFFAOYSA-N 1 0 382.483 3.271 20 10 GGCDRO C[C@@H]([NH2+]Cc1ccc(Cn2cncn2)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000177772738 1428855198 /nfs/dbraw/zinc/85/51/98/1428855198.db2.gz AAUVPGSBWGVNJD-QGZVFWFLSA-N 1 0 395.482 3.153 20 10 GGCDRO C[C@H](CNC(=O)NCc1ccc(N2CC=CC2)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000125135324 1415116108 /nfs/dbraw/zinc/11/61/08/1415116108.db2.gz QREMATWJKRPJCM-LJQANCHMSA-N 1 0 390.531 3.309 20 10 GGCDRO CCS(=O)(=O)N1CCC([NH2+][C@@H](C)c2ccc(N3CCCCC3)cc2)CC1 ZINC000177857708 1428874929 /nfs/dbraw/zinc/87/49/29/1428874929.db2.gz AQOAINZXAJVHDQ-KRWDZBQOSA-N 1 0 379.570 3.142 20 10 GGCDRO COc1ccc(N2CCN(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CC2)cc1F ZINC000125915601 1415311847 /nfs/dbraw/zinc/31/18/47/1415311847.db2.gz AONBFKBFXQSBQY-IBGZPJMESA-N 1 0 394.535 3.032 20 10 GGCDRO COc1cccc(OC)c1C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000126158246 1415372665 /nfs/dbraw/zinc/37/26/65/1415372665.db2.gz KJOVZJMMYSYCEQ-UHFFFAOYSA-N 1 0 395.503 3.488 20 10 GGCDRO C[NH+]1CCC(N2C(=O)/C(=C/c3ccc(-n4ccnc4)cc3)SC2=S)CC1 ZINC000126477931 1415465256 /nfs/dbraw/zinc/46/52/56/1415465256.db2.gz ZUNSTMCVPKCDFR-ATVHPVEESA-N 1 0 384.530 3.168 20 10 GGCDRO Cc1nccn1-c1ccc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)cn1 ZINC000126495390 1415469935 /nfs/dbraw/zinc/46/99/35/1415469935.db2.gz UBYDQEMAOMDGEI-MRXNPFEDSA-N 1 0 395.482 3.402 20 10 GGCDRO Cc1cc(O)c(CNc2ccc(CC[NH+]3CCC(C(N)=O)CC3)cc2)cc1C ZINC000126544822 1415485468 /nfs/dbraw/zinc/48/54/68/1415485468.db2.gz LQKREZBERMXCDB-UHFFFAOYSA-N 1 0 381.520 3.361 20 10 GGCDRO CN(C)c1ccc(CNc2ccc(CC[NH+]3CCC(C(N)=O)CC3)cc2)cc1 ZINC000126561254 1415491387 /nfs/dbraw/zinc/49/13/87/1415491387.db2.gz MIFJFQAJZJCXFO-UHFFFAOYSA-N 1 0 380.536 3.105 20 10 GGCDRO CC(=O)c1ccc(NC(=O)CC[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000126633852 1415512950 /nfs/dbraw/zinc/51/29/50/1415512950.db2.gz GJLMFFFWECGVNC-UHFFFAOYSA-N 1 0 395.503 3.186 20 10 GGCDRO COc1ccccc1[C@@H](CNC(=O)N(C)Cc1ccccc1O)[NH+]1CCCC1 ZINC000126763279 1415552289 /nfs/dbraw/zinc/55/22/89/1415552289.db2.gz DSEHPZSLUJZCOD-LJQANCHMSA-N 1 0 383.492 3.379 20 10 GGCDRO C[C@H](CNC(=O)NCc1ccc(N2CC=CC2)cc1)[N@H+](C)Cc1ccccc1 ZINC000126925188 1415610577 /nfs/dbraw/zinc/61/05/77/1415610577.db2.gz SIBUBFVEVJGBCM-LJQANCHMSA-N 1 0 378.520 3.383 20 10 GGCDRO C[C@@H](CNC(=O)NCc1ccc(N2CC=CC2)cc1)[N@H+](C)Cc1ccccc1 ZINC000126924932 1415610975 /nfs/dbraw/zinc/61/09/75/1415610975.db2.gz SIBUBFVEVJGBCM-IBGZPJMESA-N 1 0 378.520 3.383 20 10 GGCDRO C[C@H]([NH2+][C@H]1CCN(C(=O)C2CCCC2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000127061728 1415650603 /nfs/dbraw/zinc/65/06/03/1415650603.db2.gz WXTBBGSPKRGGLF-LPHOPBHVSA-N 1 0 389.515 3.104 20 10 GGCDRO C[C@@H]([NH2+][C@H]1CCN(C(=O)C2CCCC2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000127061942 1415650854 /nfs/dbraw/zinc/65/08/54/1415650854.db2.gz WXTBBGSPKRGGLF-APWZRJJASA-N 1 0 389.515 3.104 20 10 GGCDRO COCCC(=O)N1CCC([NH2+][C@@H](C)c2ccc(N3CCCCC3)c(F)c2)CC1 ZINC000127820539 1415857276 /nfs/dbraw/zinc/85/72/76/1415857276.db2.gz WCTWFXMKEBJDJG-KRWDZBQOSA-N 1 0 391.531 3.494 20 10 GGCDRO Cc1nn(C)cc1[C@@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000178189315 1429013478 /nfs/dbraw/zinc/01/34/78/1429013478.db2.gz BMECJLGYRBABJF-CYBMUJFWSA-N 1 0 382.430 3.435 20 10 GGCDRO COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000128421610 1415983172 /nfs/dbraw/zinc/98/31/72/1415983172.db2.gz LNQKDAWBNVWENI-GUXCAODWSA-N 1 0 383.492 3.282 20 10 GGCDRO Oc1ccccc1C[N@H+](C[C@H](O)COc1cccc2[nH]ccc21)C[C@H]1CCCO1 ZINC000128423873 1415984000 /nfs/dbraw/zinc/98/40/00/1415984000.db2.gz YWPRSGNLNSXVDY-RBUKOAKNSA-N 1 0 396.487 3.294 20 10 GGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)c1 ZINC000129844172 1416273265 /nfs/dbraw/zinc/27/32/65/1416273265.db2.gz AXVPAFUUWSGQTD-LLVKDONJSA-N 1 0 377.372 3.128 20 10 GGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)c1 ZINC000129843961 1416273311 /nfs/dbraw/zinc/27/33/11/1416273311.db2.gz AXVPAFUUWSGQTD-NSHDSACASA-N 1 0 377.372 3.128 20 10 GGCDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2ccccc2S(=O)(=O)N(C)C)cc1 ZINC000129877958 1416278393 /nfs/dbraw/zinc/27/83/93/1416278393.db2.gz XBZXWYNARWCTTP-INIZCTEOSA-N 1 0 375.538 3.244 20 10 GGCDRO CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000129925185 1416286059 /nfs/dbraw/zinc/28/60/59/1416286059.db2.gz XLKDSRZVRVSCLO-DOMZBBRYSA-N 1 0 396.329 3.311 20 10 GGCDRO CC[C@@H]([NH2+]Cc1ccccc1S(=O)(=O)N(C)C)c1ccc(N(C)C)cc1 ZINC000129928322 1416286581 /nfs/dbraw/zinc/28/65/81/1416286581.db2.gz ZUQWXVPRBRGLDN-LJQANCHMSA-N 1 0 375.538 3.244 20 10 GGCDRO O=C(CC1(O)CCCCC1)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000129950962 1416289835 /nfs/dbraw/zinc/28/98/35/1416289835.db2.gz JYWJDZQTFOQPJR-KRWDZBQOSA-N 1 0 380.916 3.212 20 10 GGCDRO O=C(NCCCSc1nccs1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000130123318 1416322810 /nfs/dbraw/zinc/32/28/10/1416322810.db2.gz FJZQZMUTTZWWJQ-GDBMZVCRSA-N 1 0 380.583 3.284 20 10 GGCDRO O=C(/C=C/c1cncc(F)c1)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000130148086 1416327692 /nfs/dbraw/zinc/32/76/92/1416327692.db2.gz DCSNLJSQRKOSDK-PXPSOEEZSA-N 1 0 389.858 3.374 20 10 GGCDRO C[C@H]([NH2+]CC1CCN(S(C)(=O)=O)CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000130199342 1416337758 /nfs/dbraw/zinc/33/77/58/1416337758.db2.gz RLEKARRQUDIOND-INIZCTEOSA-N 1 0 397.560 3.138 20 10 GGCDRO CCC[N@H+](CC(=O)N1CCc2cc(OC)c(OC)cc2C1)Cc1ccccc1O ZINC000130722469 1416434918 /nfs/dbraw/zinc/43/49/18/1416434918.db2.gz TWPVDDNQFXJXNB-UHFFFAOYSA-N 1 0 398.503 3.206 20 10 GGCDRO COc1ccc(N2CCC([NH2+]C[C@H](O)c3cc(OC)cc(OC)c3)CC2)cc1 ZINC000130956972 1416487351 /nfs/dbraw/zinc/48/73/51/1416487351.db2.gz UZGKGWBCXJQFAA-QFIPXVFZSA-N 1 0 386.492 3.004 20 10 GGCDRO CCOc1cccc(C[NH2+]C[C@H](O)COc2ccccc2Br)c1O ZINC000130972775 1416489785 /nfs/dbraw/zinc/48/97/85/1416489785.db2.gz ZNUALKNYHYPNHH-AWEZNQCLSA-N 1 0 396.281 3.083 20 10 GGCDRO Oc1ccc(Cl)cc1C[NH2+]C[C@@H](O)COc1ccccc1Br ZINC000131004445 1416494697 /nfs/dbraw/zinc/49/46/97/1416494697.db2.gz UBBQEYCMFWLCPD-CYBMUJFWSA-N 1 0 386.673 3.338 20 10 GGCDRO CCOc1ccc(O)c(C[NH2+]C[C@H](O)COc2ccccc2Br)c1 ZINC000131043936 1416500579 /nfs/dbraw/zinc/50/05/79/1416500579.db2.gz POWHZBMIDLQGRA-AWEZNQCLSA-N 1 0 396.281 3.083 20 10 GGCDRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000131416040 1416554403 /nfs/dbraw/zinc/55/44/03/1416554403.db2.gz CDDWQYRMNDYMTM-RBUKOAKNSA-N 1 0 389.540 3.449 20 10 GGCDRO Cc1ccc(C(=O)NCC[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000131870124 1416638150 /nfs/dbraw/zinc/63/81/50/1416638150.db2.gz DKBHDCKLWSDPOJ-KRWDZBQOSA-N 1 0 385.483 3.051 20 10 GGCDRO C[C@H]([NH2+]CCCSc1nccs1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000132288487 1416730008 /nfs/dbraw/zinc/73/00/08/1416730008.db2.gz IAGGOCAZPPCJEJ-ZDUSSCGKSA-N 1 0 385.580 3.226 20 10 GGCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)[C@H]1CCCN(c2ccccc2)C1=O ZINC000133646072 1416929821 /nfs/dbraw/zinc/92/98/21/1416929821.db2.gz SGNQBTMVOPYLHG-QFIPXVFZSA-N 1 0 379.504 3.151 20 10 GGCDRO Cc1ccc(N2CC[C@@H]([N@H+](C)Cc3ccc(N4CCOCC4)cc3)C2=O)cc1 ZINC000133665464 1416934101 /nfs/dbraw/zinc/93/41/01/1416934101.db2.gz DRGKCFAUPXBPPK-JOCHJYFZSA-N 1 0 379.504 3.069 20 10 GGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(N(C)C)cc1 ZINC000133790229 1416963954 /nfs/dbraw/zinc/96/39/54/1416963954.db2.gz JJNKBHLLLPFYME-CVEARBPZSA-N 1 0 375.538 3.415 20 10 GGCDRO Cc1noc(Cl)c1CC(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134264575 1417046593 /nfs/dbraw/zinc/04/65/93/1417046593.db2.gz JNQQRPYJRHBYMH-AWEZNQCLSA-N 1 0 398.290 3.319 20 10 GGCDRO CC(C)c1cc(C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)nn1C ZINC000134267091 1417047125 /nfs/dbraw/zinc/04/71/25/1417047125.db2.gz ZUBNJYFARWDQKU-INIZCTEOSA-N 1 0 390.915 3.297 20 10 GGCDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)cc1 ZINC000134811718 1417130298 /nfs/dbraw/zinc/13/02/98/1417130298.db2.gz LRWKRPSMQVANEH-VXKWHMMOSA-N 1 0 399.510 3.096 20 10 GGCDRO CC1CC[NH+](CC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CC1 ZINC000135674674 1417257000 /nfs/dbraw/zinc/25/70/00/1417257000.db2.gz VYBTUMSGBRYDNG-UHFFFAOYSA-N 1 0 381.467 3.105 20 10 GGCDRO CC(C)[C@@H](C(=O)NCc1ccc(N2CCC(CO)CC2)cc1)[NH+]1CCCCC1 ZINC000136214102 1417301446 /nfs/dbraw/zinc/30/14/46/1417301446.db2.gz REPIXDIJXMBHMI-QFIPXVFZSA-N 1 0 387.568 3.022 20 10 GGCDRO Cc1ccc(C)n1-c1ccc(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000136974076 1417359102 /nfs/dbraw/zinc/35/91/02/1417359102.db2.gz RUXYLVAEKIAXMB-IBGZPJMESA-N 1 0 381.520 3.325 20 10 GGCDRO CN(C)c1ccc(CNC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000146320791 1417716349 /nfs/dbraw/zinc/71/63/49/1417716349.db2.gz QWBUPIFZVUEVJV-UHFFFAOYSA-N 1 0 380.536 3.464 20 10 GGCDRO O=C(/C=C/c1ccc(N2CCOCC2)cc1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000150737883 1417794841 /nfs/dbraw/zinc/79/48/41/1417794841.db2.gz PCINVVAMPSBJGQ-TYOLEZHBSA-N 1 0 383.536 3.013 20 10 GGCDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)C1 ZINC000150761831 1417802350 /nfs/dbraw/zinc/80/23/50/1417802350.db2.gz TXOHPCCIXXCZKK-ICSRJNTNSA-N 1 0 389.540 3.061 20 10 GGCDRO O=C1Nc2ccccc2C12CCC([NH2+]Cc1ccc(N3CCOCC3)cc1)CC2 ZINC000151073859 1417867535 /nfs/dbraw/zinc/86/75/35/1417867535.db2.gz MAFGVUJQENNRLR-UHFFFAOYSA-N 1 0 391.515 3.446 20 10 GGCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc2c(c1)OCCO2 ZINC000151535544 1418016024 /nfs/dbraw/zinc/01/60/24/1418016024.db2.gz WACQKNBFCVHMRX-HNNXBMFYSA-N 1 0 386.467 3.409 20 10 GGCDRO C[NH+](C)[C@H](CNC(=O)NCCCSc1nccs1)Cc1ccccc1 ZINC000151694956 1418063393 /nfs/dbraw/zinc/06/33/93/1418063393.db2.gz MSOLVCHIZTXJGP-INIZCTEOSA-N 1 0 378.567 3.097 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CCC[C@@H]3CSC)cc2F)CC1 ZINC000151985947 1418112929 /nfs/dbraw/zinc/11/29/29/1418112929.db2.gz ZWNKTYSTDLORES-QGZVFWFLSA-N 1 0 394.560 3.005 20 10 GGCDRO COc1ccc(O)c([C@@H](C)NC(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)c1 ZINC000152012874 1418120777 /nfs/dbraw/zinc/12/07/77/1418120777.db2.gz AEDDAPOFRWDEDB-CVEARBPZSA-N 1 0 398.507 3.382 20 10 GGCDRO Cc1ccc(C)n1-c1ccsc1C(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000152166093 1418162747 /nfs/dbraw/zinc/16/27/47/1418162747.db2.gz HLRSXVVBPDEXOM-KRWDZBQOSA-N 1 0 375.538 3.122 20 10 GGCDRO Cc1cc2ncc([C@@H](C)[NH2+]Cc3ccc(N4CCOCC4)c(F)c3)c(C)n2n1 ZINC000179400971 1429359592 /nfs/dbraw/zinc/35/95/92/1429359592.db2.gz VSVMLQWGAFWELS-OAHLLOKOSA-N 1 0 383.471 3.173 20 10 GGCDRO Cc1cc2ncc([C@@H](C)[NH2+]Cc3ccc(N4CCC(CO)CC4)cc3)c(C)n2n1 ZINC000179405646 1429361791 /nfs/dbraw/zinc/36/17/91/1429361791.db2.gz JETQCRGNTCUPCR-QGZVFWFLSA-N 1 0 393.535 3.406 20 10 GGCDRO CN(C[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1)C(=O)OC(C)(C)C ZINC000179449937 1429381218 /nfs/dbraw/zinc/38/12/18/1429381218.db2.gz ASXYMUKWUWWQSX-IBGZPJMESA-N 1 0 389.540 3.212 20 10 GGCDRO O=C(Nc1ccc(Br)cn1)[C@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC000179559868 1429432264 /nfs/dbraw/zinc/43/22/64/1429432264.db2.gz MHJSDBDJTGAMSH-AWEZNQCLSA-N 1 0 390.281 3.400 20 10 GGCDRO C[C@@H]([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)c1ccc(OC(F)F)cc1 ZINC000179605093 1429467265 /nfs/dbraw/zinc/46/72/65/1429467265.db2.gz WACMNIYSVOTGOZ-CQSZACIVSA-N 1 0 377.435 3.321 20 10 GGCDRO COc1cc(C)c([C@H](C)[NH2+]CC(=O)NCc2ccc(N(C)C)cc2)cc1OC ZINC000179623887 1429476032 /nfs/dbraw/zinc/47/60/32/1429476032.db2.gz CDBNLEXZBKDTHG-INIZCTEOSA-N 1 0 385.508 3.045 20 10 GGCDRO CCC[N@H+](CC(=O)Nc1ccccc1OC)Cc1ccc(N2CCOCC2)cc1 ZINC000179627556 1429477431 /nfs/dbraw/zinc/47/74/31/1429477431.db2.gz MYYUPFQPNHJGQB-UHFFFAOYSA-N 1 0 397.519 3.383 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)Nc3ccc(C)nc3C)cc2F)CC1 ZINC000152353774 1422081416 /nfs/dbraw/zinc/08/14/16/1422081416.db2.gz ILYRHJPKYONAIA-UHFFFAOYSA-N 1 0 385.487 3.301 20 10 GGCDRO CN(C)c1ccc(CN(C)C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000179744531 1429533487 /nfs/dbraw/zinc/53/34/87/1429533487.db2.gz UEQANKMWIISADU-UHFFFAOYSA-N 1 0 381.524 3.206 20 10 GGCDRO CNC(=O)c1ccc(C[N@H+](C)Cc2cc(Br)cc(OC)c2O)cc1 ZINC000179757084 1429543027 /nfs/dbraw/zinc/54/30/27/1429543027.db2.gz HNYRMEDMCRUNHU-UHFFFAOYSA-N 1 0 393.281 3.155 20 10 GGCDRO Cc1cccc(OC[C@H](O)C[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)c1 ZINC000152936266 1422301810 /nfs/dbraw/zinc/30/18/10/1422301810.db2.gz RNUXRXPCYAMBBW-PKOBYXMFSA-N 1 0 388.483 3.061 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N(C)[C@@H](C)CCSC)cc2F)CC1 ZINC000152967687 1422311366 /nfs/dbraw/zinc/31/13/66/1422311366.db2.gz VPELQCQSKVXVHC-INIZCTEOSA-N 1 0 396.576 3.251 20 10 GGCDRO Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000179763098 1429547161 /nfs/dbraw/zinc/54/71/61/1429547161.db2.gz NARYAWWOBWBWFU-UHFFFAOYSA-N 1 0 383.536 3.321 20 10 GGCDRO C[C@H]([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)c1ccc(NC(=O)C2CC2)cc1 ZINC000179766279 1429548931 /nfs/dbraw/zinc/54/89/31/1429548931.db2.gz SURYVFQWLVFWNF-INIZCTEOSA-N 1 0 394.519 3.068 20 10 GGCDRO C[C@H](C(=O)Nc1ccc(F)cc1F)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000153332267 1422474494 /nfs/dbraw/zinc/47/44/94/1422474494.db2.gz ZPQGJACPYCEAPH-OAHLLOKOSA-N 1 0 389.446 3.260 20 10 GGCDRO CCOc1ccccc1NC(=O)[C@H](C)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000153342040 1422481008 /nfs/dbraw/zinc/48/10/08/1422481008.db2.gz QZWDBHBJLDAZTM-SFHVURJKSA-N 1 0 397.519 3.381 20 10 GGCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000153710581 1422714961 /nfs/dbraw/zinc/71/49/61/1422714961.db2.gz UQXGLRXSGMYAHU-QFIPXVFZSA-N 1 0 385.552 3.279 20 10 GGCDRO CC(C)NS(=O)(=O)Cc1ccc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000153873643 1422803123 /nfs/dbraw/zinc/80/31/23/1422803123.db2.gz AXBYYECIRPAAKT-KRWDZBQOSA-N 1 0 389.565 3.431 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C3(CCOC)CCCC3)cc2F)CC1 ZINC000153911576 1422809333 /nfs/dbraw/zinc/80/93/33/1422809333.db2.gz XTSXKQYNIWRNOE-UHFFFAOYSA-N 1 0 391.531 3.181 20 10 GGCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@H](C)c1ccc3c(c1)CCCC3)cc2=O ZINC000154331222 1422873922 /nfs/dbraw/zinc/87/39/22/1422873922.db2.gz PJTUOFTZNRTXFO-CQSZACIVSA-N 1 0 394.475 3.341 20 10 GGCDRO CC[C@H]([NH2+]Cc1cccc(NC(=O)CCN2CCOCC2)c1)c1ccccc1O ZINC000155232449 1423262434 /nfs/dbraw/zinc/26/24/34/1423262434.db2.gz ZSFLDCGDURDIQH-NRFANRHFSA-N 1 0 397.519 3.294 20 10 GGCDRO Cc1cccc(C[N@@H+]2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)c1O ZINC000179916416 1429639344 /nfs/dbraw/zinc/63/93/44/1429639344.db2.gz GAMJCBRPQHDTRT-HXUWFJFHSA-N 1 0 380.536 3.130 20 10 GGCDRO CCS(=O)(=O)c1ccc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000179941339 1429653384 /nfs/dbraw/zinc/65/33/84/1429653384.db2.gz CPPCAVJKUYITTM-QGZVFWFLSA-N 1 0 388.533 3.168 20 10 GGCDRO COc1cc(O)c(C[N@@H+]2CCCC[C@@H]2CNC(=O)c2ccccc2)cc1OC ZINC000179956220 1429661528 /nfs/dbraw/zinc/66/15/28/1429661528.db2.gz HZAXBMHKPQPKSP-GOSISDBHSA-N 1 0 384.476 3.194 20 10 GGCDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2c(O)ccc3ccccc32)CC1 ZINC000156350994 1423793215 /nfs/dbraw/zinc/79/32/15/1423793215.db2.gz RLFWINIVDALHJC-UHFFFAOYSA-N 1 0 391.427 3.412 20 10 GGCDRO CCCN(Cc1ccccc1O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000156394201 1423805085 /nfs/dbraw/zinc/80/50/85/1423805085.db2.gz HOUKARUTUBIUMB-TZIWHRDSSA-N 1 0 389.540 3.082 20 10 GGCDRO CC[C@@H]([NH2+]C1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1ccccc1O ZINC000156614865 1423836116 /nfs/dbraw/zinc/83/61/16/1423836116.db2.gz GNVMETUSLJWOQY-HXUWFJFHSA-N 1 0 388.533 3.427 20 10 GGCDRO COc1ccc(CN2CCC[N@H+](Cc3ccc(N4CCOCC4)cc3)CC2)cc1 ZINC000156860073 1423876424 /nfs/dbraw/zinc/87/64/24/1423876424.db2.gz FUHARMOWKZLJCL-UHFFFAOYSA-N 1 0 395.547 3.240 20 10 GGCDRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000157115313 1423928611 /nfs/dbraw/zinc/92/86/11/1423928611.db2.gz WFUSBKXLEHHLOH-JOCHJYFZSA-N 1 0 387.568 3.429 20 10 GGCDRO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000157551034 1424036206 /nfs/dbraw/zinc/03/62/06/1424036206.db2.gz FQUAJELUSYHUNO-KRWDZBQOSA-N 1 0 382.504 3.447 20 10 GGCDRO C[C@@H](CCn1cccn1)[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000157610239 1424048620 /nfs/dbraw/zinc/04/86/20/1424048620.db2.gz QDBBDIHNXCDYMJ-HNNXBMFYSA-N 1 0 382.430 3.307 20 10 GGCDRO COc1cc(Br)cc(C[NH2+]C[C@](C)(O)c2ccc(F)cc2)c1O ZINC000157779967 1424086233 /nfs/dbraw/zinc/08/62/33/1424086233.db2.gz OGBIRSPOIZYKES-KRWDZBQOSA-N 1 0 384.245 3.300 20 10 GGCDRO COc1ccc(N2CCC([NH2+]CCCS(=O)(=O)c3ccccc3)CC2)cc1 ZINC000158660612 1424312929 /nfs/dbraw/zinc/31/29/29/1424312929.db2.gz VNZYESYZWWCVDI-UHFFFAOYSA-N 1 0 388.533 3.118 20 10 GGCDRO COc1ccc(N2CCC([NH2+]C[C@@H]3CN(Cc4ccccc4)CCO3)CC2)cc1 ZINC000158702696 1424323248 /nfs/dbraw/zinc/32/32/48/1424323248.db2.gz VJBMUJNJFBDBIB-XMMPIXPASA-N 1 0 395.547 3.155 20 10 GGCDRO CCCC[NH+]1CCC(NC(=O)N2CCCN(c3ccc(OC)cc3)CC2)CC1 ZINC000158709331 1424323575 /nfs/dbraw/zinc/32/35/75/1424323575.db2.gz OSUDPPSVRAFSGF-UHFFFAOYSA-N 1 0 388.556 3.181 20 10 GGCDRO C[C@@H]1Oc2ccc(C(=O)C3CC[NH+](Cc4cc(F)ccc4O)CC3)cc2NC1=O ZINC000180063288 1429720313 /nfs/dbraw/zinc/72/03/13/1429720313.db2.gz FZVXZLSQWDPKLD-ZDUSSCGKSA-N 1 0 398.434 3.346 20 10 GGCDRO CCS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000159083446 1424412794 /nfs/dbraw/zinc/41/27/94/1424412794.db2.gz BVWQUZHBCQWOEK-KRWDZBQOSA-N 1 0 388.533 3.168 20 10 GGCDRO CCNC(=O)COc1ccc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)cc1OC ZINC000159220067 1424447406 /nfs/dbraw/zinc/44/74/06/1424447406.db2.gz OBDMRCQKAWHLOA-MRXNPFEDSA-N 1 0 385.508 3.127 20 10 GGCDRO COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c1 ZINC000160256709 1424590564 /nfs/dbraw/zinc/59/05/64/1424590564.db2.gz QERSECUMWVYYET-BQFCYCMXSA-N 1 0 383.492 3.424 20 10 GGCDRO CCN(C[C@@H]1CC[N@H+](Cc2cc(OC)c(OC)cc2O)C1)CC(F)(F)F ZINC000160350703 1424597021 /nfs/dbraw/zinc/59/70/21/1424597021.db2.gz JIIDPSVSTKCQHD-ZDUSSCGKSA-N 1 0 376.419 3.116 20 10 GGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H](CNC(=O)c3ccccc3)C2)cc1OC ZINC000160356213 1424597853 /nfs/dbraw/zinc/59/78/53/1424597853.db2.gz YNJIBVYMHUJDRQ-MRXNPFEDSA-N 1 0 384.476 3.051 20 10 GGCDRO C[C@@H]([NH2+]C1CCN(CC(=O)N(C)C)CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000160371050 1424599235 /nfs/dbraw/zinc/59/92/35/1424599235.db2.gz SANRVKQPNQMDIC-QGZVFWFLSA-N 1 0 390.547 3.019 20 10 GGCDRO C[C@H]([NH2+]C1CCN(CC(=O)N(C)C)CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000160370907 1424599373 /nfs/dbraw/zinc/59/93/73/1424599373.db2.gz SANRVKQPNQMDIC-KRWDZBQOSA-N 1 0 390.547 3.019 20 10 GGCDRO CCC[C@H]1C[C@@H](C(=O)NCc2ccc(N3CC[NH+](CC)CC3)c(F)c2)CCO1 ZINC000180103571 1429738883 /nfs/dbraw/zinc/73/88/83/1429738883.db2.gz PZMBMNSISKIILB-OALUTQOASA-N 1 0 391.531 3.179 20 10 GGCDRO CCC[C@H]1C[C@H](C(=O)NCc2ccc(N3CC[NH+](CC)CC3)c(F)c2)CCO1 ZINC000180103536 1429739300 /nfs/dbraw/zinc/73/93/00/1429739300.db2.gz PZMBMNSISKIILB-MOPGFXCFSA-N 1 0 391.531 3.179 20 10 GGCDRO C[C@@H]([NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1)C(=O)NCc1ccccc1 ZINC000161215773 1424667433 /nfs/dbraw/zinc/66/74/33/1424667433.db2.gz JXFWRROCSXLKIU-IAGOWNOFSA-N 1 0 385.483 3.018 20 10 GGCDRO CC[C@H]([NH2+][C@H](C)c1cccc(S(=O)(=O)NC)c1)c1ccc(N(C)C)cc1 ZINC000161448820 1424690133 /nfs/dbraw/zinc/69/01/33/1424690133.db2.gz CHQRVVDZHSQQQS-QRWLVFNGSA-N 1 0 375.538 3.463 20 10 GGCDRO C[C@H]([NH2+]Cc1ccccc1N1CCOCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000161473358 1424693035 /nfs/dbraw/zinc/69/30/35/1424693035.db2.gz VLYAJDVJLJHFPR-SFHVURJKSA-N 1 0 399.510 3.350 20 10 GGCDRO C[C@@H]([NH2+]CC1CCN(C(=O)C(C)(C)C)CC1)c1ccc(N2CCOCC2)cc1 ZINC000161510031 1424697094 /nfs/dbraw/zinc/69/70/94/1424697094.db2.gz DOSGDBKEIMVGMZ-GOSISDBHSA-N 1 0 387.568 3.459 20 10 GGCDRO C[C@H](NC(=O)[C@H](C)[N@H+](C)Cc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1 ZINC000161816969 1424770943 /nfs/dbraw/zinc/77/09/43/1424770943.db2.gz VXVOVYHANPBWLF-ROUUACIJSA-N 1 0 399.510 3.360 20 10 GGCDRO C[C@@H]([NH2+]Cc1ccccc1OCCN1CCOCC1)c1ccc(N(C)C)cc1 ZINC000162018760 1424809302 /nfs/dbraw/zinc/80/93/02/1424809302.db2.gz TVRJHWZIFICQPM-LJQANCHMSA-N 1 0 383.536 3.314 20 10 GGCDRO C[C@@H]([NH2+]C1CCN(Cc2ccccn2)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000162227290 1424828668 /nfs/dbraw/zinc/82/86/68/1424828668.db2.gz UCPFHYZFEUEKTC-GOSISDBHSA-N 1 0 398.526 3.373 20 10 GGCDRO C[C@H]([NH2+]CCNS(=O)(=O)c1ccccc1)c1ccc(N2CCCCC2)cc1 ZINC000162453314 1424854113 /nfs/dbraw/zinc/85/41/13/1424854113.db2.gz IJVUMURPONKFHQ-SFHVURJKSA-N 1 0 387.549 3.306 20 10 GGCDRO COc1cc(C[NH2+][C@H](C)c2ccc(N3CCCCC3)cc2)ccc1OCC(N)=O ZINC000162668427 1424877370 /nfs/dbraw/zinc/87/73/70/1424877370.db2.gz IIVZDVLBKBMHEU-QGZVFWFLSA-N 1 0 397.519 3.400 20 10 GGCDRO C[C@@H]([NH2+]Cc1cccc(CN2CCOCC2)c1)c1ccc(N2CCOCC2)cc1 ZINC000163680169 1425033052 /nfs/dbraw/zinc/03/30/52/1425033052.db2.gz AJWPBCSCTBIDCF-HXUWFJFHSA-N 1 0 395.547 3.206 20 10 GGCDRO Cc1cc(N(C)C)ccc1CNC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000164313794 1425097901 /nfs/dbraw/zinc/09/79/01/1425097901.db2.gz GRFHOAAOANDQFY-UHFFFAOYSA-N 1 0 395.547 3.195 20 10 GGCDRO CCOC(=O)c1ccc(N2CCC[N@H+](Cc3cc(C)cc(C)c3O)CC2)nc1 ZINC000164362559 1425102994 /nfs/dbraw/zinc/10/29/94/1425102994.db2.gz ZLFZBMNILNAOHE-UHFFFAOYSA-N 1 0 383.492 3.293 20 10 GGCDRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000164574202 1425125818 /nfs/dbraw/zinc/12/58/18/1425125818.db2.gz GKTPWBRPNDHBLK-NVXWUHKLSA-N 1 0 393.503 3.322 20 10 GGCDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1ccc([S@@](C)=O)cc1 ZINC000165188180 1425169206 /nfs/dbraw/zinc/16/92/06/1425169206.db2.gz YNGRLNSRPDBBNW-HAWMADMCSA-N 1 0 376.497 3.251 20 10 GGCDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1ccc([S@](C)=O)cc1 ZINC000165187936 1425169649 /nfs/dbraw/zinc/16/96/49/1425169649.db2.gz YNGRLNSRPDBBNW-QWXGXRTQSA-N 1 0 376.497 3.251 20 10 GGCDRO C[C@H]([NH2+][C@@H]1CCN(c2ncccc2F)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000168225490 1425236661 /nfs/dbraw/zinc/23/66/61/1425236661.db2.gz HBIWEVINODNYJO-DOTOQJQBSA-N 1 0 388.462 3.126 20 10 GGCDRO Nc1ccc(CC(=O)N[C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000168950331 1425240492 /nfs/dbraw/zinc/24/04/92/1425240492.db2.gz FHDYQSASIUGOEV-SFHVURJKSA-N 1 0 377.410 3.221 20 10 GGCDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3cc(C)ccc3F)CC2)cc1 ZINC000171357134 1425637583 /nfs/dbraw/zinc/63/75/83/1425637583.db2.gz QCEWRIFMSYPHPE-UHFFFAOYSA-N 1 0 385.483 3.085 20 10 GGCDRO COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)c1 ZINC000171720482 1425802879 /nfs/dbraw/zinc/80/28/79/1425802879.db2.gz UHEUDVUBIIELSM-MRXNPFEDSA-N 1 0 398.507 3.344 20 10 GGCDRO COc1ccc(O)c([C@H](C)NC(=O)NC2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000171734957 1425807015 /nfs/dbraw/zinc/80/70/15/1425807015.db2.gz DDBABXMTYCSSEA-KRWDZBQOSA-N 1 0 397.519 3.468 20 10 GGCDRO CCN(CC)c1ccc(CNC(=O)NC2CC[NH+](CC3CC3)CC2)cc1F ZINC000171834566 1425831929 /nfs/dbraw/zinc/83/19/29/1425831929.db2.gz JLNWIJMUGIWFMG-UHFFFAOYSA-N 1 0 376.520 3.346 20 10 GGCDRO COc1ccc(O)c(CNC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000172072434 1425889002 /nfs/dbraw/zinc/88/90/02/1425889002.db2.gz JGFZWLAQYAATGO-UHFFFAOYSA-N 1 0 383.492 3.112 20 10 GGCDRO Cc1cc(=O)n2nc(C[N@@H+](C)Cc3ccc(N4CCCCC4)cc3)sc2n1 ZINC000172607732 1426111049 /nfs/dbraw/zinc/11/10/49/1426111049.db2.gz RMVDOGVEGUZYGD-UHFFFAOYSA-N 1 0 383.521 3.082 20 10 GGCDRO CCN(CC)c1ccc(C[NH2+]Cc2ccc(S(=O)(=O)N(C)C)cc2)cc1F ZINC000172672002 1426137040 /nfs/dbraw/zinc/13/70/40/1426137040.db2.gz OAZVVABSDVYURU-UHFFFAOYSA-N 1 0 393.528 3.212 20 10 GGCDRO O=C1O[C@@H](C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)CN1c1ccccc1 ZINC000172797947 1426193948 /nfs/dbraw/zinc/19/39/48/1426193948.db2.gz JQVPMCWWMZJDPR-PMACEKPBSA-N 1 0 382.460 3.399 20 10 GGCDRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000173181983 1426380734 /nfs/dbraw/zinc/38/07/34/1426380734.db2.gz QZUGLBFMUPJNJW-JOCHJYFZSA-N 1 0 387.568 3.332 20 10 GGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000173365176 1426538484 /nfs/dbraw/zinc/53/84/84/1426538484.db2.gz ZLBMAHQDTZWXMQ-MRXNPFEDSA-N 1 0 387.549 3.170 20 10 GGCDRO Cc1ccc(N2CC[C@H]([NH2+][C@H](C)c3ccc(N4CCOCC4)cc3)C2=O)cc1 ZINC000174008130 1426940714 /nfs/dbraw/zinc/94/07/14/1426940714.db2.gz IIQMTMSRRNWXLI-GCJKJVERSA-N 1 0 379.504 3.288 20 10 GGCDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)NCc2ccc(N3CCSCC3)cc2)C1 ZINC000174032830 1426956212 /nfs/dbraw/zinc/95/62/12/1426956212.db2.gz WCNSYQDXNMFNQI-LJQANCHMSA-N 1 0 390.597 3.113 20 10 GGCDRO CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000174116132 1427009117 /nfs/dbraw/zinc/00/91/17/1427009117.db2.gz SSWSJMBYQONFLC-CQSZACIVSA-N 1 0 398.345 3.418 20 10 GGCDRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+]Cc2cc(C)c(C)cc2O)cc1 ZINC000174246803 1427068428 /nfs/dbraw/zinc/06/84/28/1427068428.db2.gz DTODVSHOASDJME-UHFFFAOYSA-N 1 0 376.522 3.329 20 10 GGCDRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+]Cc2cc(C)c(C)cc2O)s1 ZINC000174348344 1427113931 /nfs/dbraw/zinc/11/39/31/1427113931.db2.gz KFEZYHKQFDZZMZ-UHFFFAOYSA-N 1 0 396.578 3.433 20 10 GGCDRO Cc1cc(O)c(C[NH2+]CC2CCN(S(=O)(=O)c3ccccc3)CC2)cc1C ZINC000174354302 1427116781 /nfs/dbraw/zinc/11/67/81/1427116781.db2.gz GUPBAIMQPVVCRN-UHFFFAOYSA-N 1 0 388.533 3.200 20 10 GGCDRO CCC[N@H+](Cc1ccccc1O)[C@@H](C)C(=O)NCc1ccc(OC)c(OC)c1 ZINC000174373281 1427126305 /nfs/dbraw/zinc/12/63/05/1427126305.db2.gz GMYWFDBTHAAFKM-INIZCTEOSA-N 1 0 386.492 3.326 20 10 GGCDRO COc1cc(Br)cc(C[NH2+]C[C@](C)(O)c2cc(C)oc2C)c1O ZINC000174441978 1427157460 /nfs/dbraw/zinc/15/74/60/1427157460.db2.gz NRDWTRCXFLLVOV-KRWDZBQOSA-N 1 0 384.270 3.370 20 10 GGCDRO COc1cccc(C[NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)c1O ZINC000174569654 1427230281 /nfs/dbraw/zinc/23/02/81/1427230281.db2.gz GOUCBWOZHVTQIA-MRXNPFEDSA-N 1 0 392.402 3.287 20 10 GGCDRO COc1ccc(N2CCC(NC(=O)N(C)CC[C@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000174607259 1427258516 /nfs/dbraw/zinc/25/85/16/1427258516.db2.gz QKQQWVBVSVBLNL-LJQANCHMSA-N 1 0 388.556 3.180 20 10 GGCDRO O=C(CC[NH+]1CCN(c2ccccc2)CC1)NCc1ccc(N2CCCC2)cc1 ZINC000174619779 1427267966 /nfs/dbraw/zinc/26/79/66/1427267966.db2.gz YEWDNHUIAUUMQQ-UHFFFAOYSA-N 1 0 392.547 3.115 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3ccccc3C(C)=O)cc2F)CC1 ZINC000174682317 1427307114 /nfs/dbraw/zinc/30/71/14/1427307114.db2.gz AVAWBPGKGWOPRP-UHFFFAOYSA-N 1 0 383.467 3.100 20 10 GGCDRO COc1cccc(CNC(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)c1O ZINC000175011917 1427496603 /nfs/dbraw/zinc/49/66/03/1427496603.db2.gz IBMXKRQVUCWABF-MRXNPFEDSA-N 1 0 383.492 3.426 20 10 GGCDRO O=C(NCc1c(O)ccc2c1CCCC2)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000175216279 1427608178 /nfs/dbraw/zinc/60/81/78/1427608178.db2.gz OJOKHGAUMFRSAL-UHFFFAOYSA-N 1 0 394.519 3.130 20 10 GGCDRO COc1ccc(O)c(CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000175538130 1427808215 /nfs/dbraw/zinc/80/82/15/1427808215.db2.gz JSBVGWUPNVIDAU-LPHOPBHVSA-N 1 0 383.492 3.253 20 10 GGCDRO COc1cccc(CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1O ZINC000175632694 1427838207 /nfs/dbraw/zinc/83/82/07/1427838207.db2.gz JGOPTEADMAMKHI-VQIMIIECSA-N 1 0 383.492 3.253 20 10 GGCDRO CCN(C[C@@H]1CC[N@H+](Cc2cc(F)cc(C(C)=O)c2O)C1)CC(F)(F)F ZINC000175810641 1427903137 /nfs/dbraw/zinc/90/31/37/1427903137.db2.gz UOWCEEOLFMPCBC-ZDUSSCGKSA-N 1 0 376.394 3.440 20 10 GGCDRO CC[C@H]([NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccc2c(c1)OCCO2 ZINC000180612119 1429933306 /nfs/dbraw/zinc/93/33/06/1429933306.db2.gz PZARRBLYRWJMFK-FQEVSTJZSA-N 1 0 397.519 3.223 20 10 GGCDRO CC[NH+](CC)[C@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)c1cccc(OC)c1 ZINC000180619743 1429937189 /nfs/dbraw/zinc/93/71/89/1429937189.db2.gz FEAUDCBENHVJJA-FMAYLGMYSA-N 1 0 384.476 3.319 20 10 GGCDRO O=C(/C=C/c1ccc(O)c(O)c1)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000180703977 1429987886 /nfs/dbraw/zinc/98/78/86/1429987886.db2.gz MGRILSJNZZMGIQ-VQHVLOKHSA-N 1 0 393.487 3.282 20 10 GGCDRO O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000180736802 1430009354 /nfs/dbraw/zinc/00/93/54/1430009354.db2.gz IFTZJIRCOOKZAL-ZRDIBKRKSA-N 1 0 380.488 3.278 20 10 GGCDRO COC(=O)CCC[N@H+](Cc1ccccc1)Cc1ccc(N2CCOCC2)cc1 ZINC000180748927 1430016010 /nfs/dbraw/zinc/01/60/10/1430016010.db2.gz VDTDENJJSWONQF-UHFFFAOYSA-N 1 0 382.504 3.479 20 10 GGCDRO C[C@@H]([NH2+]CCNC(=O)CC1CCCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000180837465 1430064364 /nfs/dbraw/zinc/06/43/64/1430064364.db2.gz WRXWGXIXYVDMGA-QGZVFWFLSA-N 1 0 391.531 3.400 20 10 GGCDRO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1ccccc1O2 ZINC000180925475 1430118058 /nfs/dbraw/zinc/11/80/58/1430118058.db2.gz FXXPSLGJHYYUMT-PDFOZTTASA-N 1 0 394.471 3.215 20 10 GGCDRO COc1ccccc1[C@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)[NH+]1CCCCC1 ZINC000180954554 1430133252 /nfs/dbraw/zinc/13/32/52/1430133252.db2.gz WLTJBDRHNNODHA-RDELFYGPSA-N 1 0 396.487 3.463 20 10 GGCDRO CCN(CC)c1ccc(C[NH2+]C2CCN(S(=O)(=O)CC(C)C)CC2)cc1F ZINC000181122226 1430217753 /nfs/dbraw/zinc/21/77/53/1430217753.db2.gz OYWZDIYKIPKNRZ-UHFFFAOYSA-N 1 0 399.576 3.212 20 10 GGCDRO C[C@H]([NH2+][C@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc(N2CCCCC2)cc1 ZINC000181177071 1430238422 /nfs/dbraw/zinc/23/84/22/1430238422.db2.gz QNPBIYKNFZKUEN-PXNSSMCTSA-N 1 0 381.524 3.257 20 10 GGCDRO C[C@H]([NH2+][C@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc(N2CCCCC2)c(F)c1 ZINC000181177751 1430239249 /nfs/dbraw/zinc/23/92/49/1430239249.db2.gz WBPAGZYFLOKWBU-LPHOPBHVSA-N 1 0 399.514 3.396 20 10 GGCDRO CN(C)c1ccc(CN(C)C(=O)C[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)cc1 ZINC000181179321 1430239701 /nfs/dbraw/zinc/23/97/01/1430239701.db2.gz GAELJDADZUBQLL-NFBKMPQASA-N 1 0 395.547 3.469 20 10 GGCDRO Cc1cc(N2CC[C@H]([NH2+][C@H](C)c3ccc(N4CCCCC4)c(F)c3)C2=O)n(C)n1 ZINC000181189264 1430242708 /nfs/dbraw/zinc/24/27/08/1430242708.db2.gz QLEYRYHAXUABHH-APWZRJJASA-N 1 0 399.514 3.314 20 10 GGCDRO COc1cc(OC)cc(N2CC[C@@H]([NH2+][C@@H](C)c3ccc(N(C)C)cc3)C2=O)c1 ZINC000181209536 1430248221 /nfs/dbraw/zinc/24/82/21/1430248221.db2.gz WXYFUDGKUWIWEW-YCRPNKLZSA-N 1 0 383.492 3.226 20 10 GGCDRO COc1cc(OC)cc(N2CC[C@H]([NH2+][C@H](C)c3ccc(N(C)C)cc3)C2=O)c1 ZINC000181209586 1430248549 /nfs/dbraw/zinc/24/85/49/1430248549.db2.gz WXYFUDGKUWIWEW-VFNWGFHPSA-N 1 0 383.492 3.226 20 10 GGCDRO C[C@@H]([NH2+]CCOc1ccc(Cl)cn1)c1ccc(N2CCOCC2)c(F)c1 ZINC000181325248 1430273071 /nfs/dbraw/zinc/27/30/71/1430273071.db2.gz QATJRISQAXKMGR-CQSZACIVSA-N 1 0 379.863 3.440 20 10 GGCDRO [NH2+]=C1Nc2nc3ccccc3n2[C@H](c2ccc(OCc3ccccc3)cc2O)N1 ZINC000181356415 1430281108 /nfs/dbraw/zinc/28/11/08/1430281108.db2.gz PFYIGFYAFBFOBI-HXUWFJFHSA-N 1 0 385.427 3.417 20 10 GGCDRO COCCc1nc(C)c([C@H](C)[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)s1 ZINC000181384638 1430285681 /nfs/dbraw/zinc/28/56/81/1430285681.db2.gz APJDNIAPVBRWPA-AWEZNQCLSA-N 1 0 393.528 3.467 20 10 GGCDRO COc1ccc(N2CCN(CCC[NH2+][C@@H](C)c3ccc(C#N)cc3)CC2)cc1 ZINC000181419351 1430293879 /nfs/dbraw/zinc/29/38/79/1430293879.db2.gz QHVBLQFIGWIAIC-IBGZPJMESA-N 1 0 378.520 3.430 20 10 GGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCN(C)S(=O)(=O)c2cccs2)cc1 ZINC000181504006 1430311572 /nfs/dbraw/zinc/31/15/72/1430311572.db2.gz OXHJJEMUZLGROG-HNNXBMFYSA-N 1 0 381.567 3.176 20 10 GGCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@H](C)C(C)(C)c1ccccc1)cc2=O ZINC000181781439 1430358795 /nfs/dbraw/zinc/35/87/95/1430358795.db2.gz RWSCNGWDJCWGMG-CQSZACIVSA-N 1 0 382.464 3.068 20 10 GGCDRO C[C@H]([NH2+]C[C@@](C)(O)c1ccc(F)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000181794787 1430362036 /nfs/dbraw/zinc/36/20/36/1430362036.db2.gz YQNLZKPDKQKFKX-YCRPNKLZSA-N 1 0 376.447 3.360 20 10 GGCDRO CCOC(=O)c1nn(-c2ccccc2)cc1C[NH2+]Cc1cc(OC)ccc1O ZINC000182214720 1430430953 /nfs/dbraw/zinc/43/09/53/1430430953.db2.gz XKVGZSYUOIRNJZ-UHFFFAOYSA-N 1 0 381.432 3.053 20 10 GGCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)NCCc2ccc(OC(C)C)cc2)c1 ZINC000182326103 1430448755 /nfs/dbraw/zinc/44/87/55/1430448755.db2.gz PRANQVDQZCUBIW-INIZCTEOSA-N 1 0 386.492 3.198 20 10 GGCDRO CCCCCc1nnc(NC(=O)C[NH2+][C@@H](C)c2cc(OC)ccc2O)s1 ZINC000182335222 1430450233 /nfs/dbraw/zinc/45/02/33/1430450233.db2.gz WJBNNKOENMJBOS-LBPRGKRZSA-N 1 0 378.498 3.274 20 10 GGCDRO COc1ccc([C@H](NC(=O)C[NH2+][C@@H](C)c2cc(OC)ccc2O)C2CC2)cc1 ZINC000182462974 1430471988 /nfs/dbraw/zinc/47/19/88/1430471988.db2.gz NJPTVFHJDBWCKJ-RCDICMHDSA-N 1 0 384.476 3.328 20 10 GGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2csc(-c3ccc(C(N)=O)cc3)n2)c1 ZINC000182471168 1430473035 /nfs/dbraw/zinc/47/30/35/1430473035.db2.gz KKVIYMQVPZAGLV-LBPRGKRZSA-N 1 0 383.473 3.474 20 10 GGCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)N[C@@H](c2nccs2)c2ccccc2)c1 ZINC000182471583 1430473404 /nfs/dbraw/zinc/47/34/04/1430473404.db2.gz MKZDPYCNRXQQBL-VBKZILBWSA-N 1 0 397.500 3.414 20 10 GGCDRO O=C(NCc1ccc(O)c(O)c1)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000182527237 1430483813 /nfs/dbraw/zinc/48/38/13/1430483813.db2.gz JIPAZCKYZBWXKB-LJQANCHMSA-N 1 0 394.393 3.169 20 10 GGCDRO C[C@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182569815 1430495023 /nfs/dbraw/zinc/49/50/23/1430495023.db2.gz CPYXMBKDXZCJKR-DOTOQJQBSA-N 1 0 376.520 3.344 20 10 GGCDRO COc1ccc(O)c(C[NH2+]C[C@@H](CO)Cc2ccc(OC(F)(F)F)cc2)c1 ZINC000182630603 1430505812 /nfs/dbraw/zinc/50/58/12/1430505812.db2.gz OXANFWZSHLARIC-AWEZNQCLSA-N 1 0 385.382 3.240 20 10 GGCDRO CC(C)[NH+](CC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)C(C)C ZINC000183065985 1430604029 /nfs/dbraw/zinc/60/40/29/1430604029.db2.gz WHOGDUYQFSKROT-CALCHBBNSA-N 1 0 379.520 3.174 20 10 GGCDRO Oc1cc(OCc2ccccc2)ccc1C[N@@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000183098205 1430612347 /nfs/dbraw/zinc/61/23/47/1430612347.db2.gz PFILVFOJYLCXRO-FQEVSTJZSA-N 1 0 382.504 3.125 20 10 GGCDRO C[C@H](c1ccccc1)[C@H](C)[NH2+]CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000183367456 1430691290 /nfs/dbraw/zinc/69/12/90/1430691290.db2.gz AQINEALXDMSHAR-ROUUACIJSA-N 1 0 399.510 3.060 20 10 GGCDRO C[C@@H]([NH2+]CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)[C@@H](C)c1ccccc1 ZINC000183367398 1430691324 /nfs/dbraw/zinc/69/13/24/1430691324.db2.gz AQINEALXDMSHAR-QZTJIDSGSA-N 1 0 399.510 3.060 20 10 GGCDRO COc1ccc([C@H](C[NH2+][C@H](C)c2ccccc2O)N2CCOCC2)cc1OC ZINC000183386780 1430697633 /nfs/dbraw/zinc/69/76/33/1430697633.db2.gz KJIKXOSDQYIMNM-APWZRJJASA-N 1 0 386.492 3.134 20 10 GGCDRO Cc1cc(C(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)c(C)n1-c1cc(C)cc(C)c1 ZINC000184068444 1430836977 /nfs/dbraw/zinc/83/69/77/1430836977.db2.gz HRSGBPIYIWFSNS-LJQANCHMSA-N 1 0 396.579 3.467 20 10 GGCDRO Cc1cc(C(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)c(C)n1-c1cccc(C)c1 ZINC000184079284 1430838458 /nfs/dbraw/zinc/83/84/58/1430838458.db2.gz LOULGWYLXXSUCD-GOSISDBHSA-N 1 0 382.552 3.158 20 10 GGCDRO Cc1ccc(C)n1-c1ccc(C(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)cc1 ZINC000184176974 1430851438 /nfs/dbraw/zinc/85/14/38/1430851438.db2.gz OQOZECABPIQBGJ-UHFFFAOYSA-N 1 0 382.552 3.240 20 10 GGCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3cc(OC)c(OC)cc3F)c2)CC1 ZINC000184283502 1430867740 /nfs/dbraw/zinc/86/77/40/1430867740.db2.gz IKEWFUOOWBEFBB-UHFFFAOYSA-N 1 0 387.455 3.237 20 10 GGCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3cc(NC(C)=O)ccc3F)c2)CC1 ZINC000184286879 1430868512 /nfs/dbraw/zinc/86/85/12/1430868512.db2.gz YMADKGBNZRCLRK-UHFFFAOYSA-N 1 0 384.455 3.178 20 10 GGCDRO CCOc1cccc(C[NH+]2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)c1 ZINC000184753267 1430966557 /nfs/dbraw/zinc/96/65/57/1430966557.db2.gz OFDHKWAQDWBKSE-UHFFFAOYSA-N 1 0 386.492 3.433 20 10 GGCDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@@H](O)COc1ccccc1Cl ZINC000184829417 1430993845 /nfs/dbraw/zinc/99/38/45/1430993845.db2.gz MXQDWTUVAZXFQS-LJQANCHMSA-N 1 0 390.911 3.048 20 10 GGCDRO CCCC[C@@H]([NH2+]CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C1CCC1 ZINC000184896563 1431015450 /nfs/dbraw/zinc/01/54/50/1431015450.db2.gz FWGCGGHIHMEHTA-HXUWFJFHSA-N 1 0 391.531 3.227 20 10 GGCDRO CC[NH+]1CCN(c2cccc(NC(=O)NCc3ccc(N(C)C)c(F)c3)c2)CC1 ZINC000184905663 1431018290 /nfs/dbraw/zinc/01/82/90/1431018290.db2.gz JJJOOGVPRHSTCQ-UHFFFAOYSA-N 1 0 399.514 3.355 20 10 GGCDRO CCOCc1cc(CN[C@H](CS(C)(=O)=O)c2ccccc2)ccc1OC ZINC000184945438 1431027552 /nfs/dbraw/zinc/02/75/52/1431027552.db2.gz PFOQNZCZGRUPMY-LJQANCHMSA-N 1 0 377.506 3.107 20 10 GGCDRO CCOCc1cc(CN[C@@H](CS(C)(=O)=O)c2ccccc2)ccc1OC ZINC000184945420 1431027828 /nfs/dbraw/zinc/02/78/28/1431027828.db2.gz PFOQNZCZGRUPMY-IBGZPJMESA-N 1 0 377.506 3.107 20 10 GGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C2CCN(CC(=O)Nc3ccccc3)CC2)c1 ZINC000184965239 1431032636 /nfs/dbraw/zinc/03/26/36/1431032636.db2.gz FRZCTDRSESTARA-MRXNPFEDSA-N 1 0 383.492 3.155 20 10 GGCDRO C[C@@H]([NH2+]CCCN1CCN(c2ncccn2)CC1)c1ccc2ccccc2c1O ZINC000184980987 1431035536 /nfs/dbraw/zinc/03/55/36/1431035536.db2.gz KVBVBPPCWJYXSM-GOSISDBHSA-N 1 0 391.519 3.198 20 10 GGCDRO COc1ccc(N2CCC(NC(=O)NCC[C@H](C)[NH+]3CCCCC3)CC2)cc1 ZINC000185043556 1431047865 /nfs/dbraw/zinc/04/78/65/1431047865.db2.gz XDZMKHGTVXQGAI-SFHVURJKSA-N 1 0 388.556 3.228 20 10 GGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2ccc(OCC(=O)NC3CC3)cc2)c1 ZINC000185058499 1431051480 /nfs/dbraw/zinc/05/14/80/1431051480.db2.gz NEDMESNANONHCJ-GJZGRUSLSA-N 1 0 384.476 3.470 20 10 GGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2ccc(OCC(=O)NC3CC3)cc2)c1 ZINC000185058536 1431051599 /nfs/dbraw/zinc/05/15/99/1431051599.db2.gz NEDMESNANONHCJ-LSDHHAIUSA-N 1 0 384.476 3.470 20 10 GGCDRO Cc1ccc([C@H](C)[NH2+]Cc2cccc(NC(=O)CCN3CCOCC3)c2)c(O)c1 ZINC000185080654 1431056058 /nfs/dbraw/zinc/05/60/58/1431056058.db2.gz FHMRLZITBXPKHY-SFHVURJKSA-N 1 0 397.519 3.212 20 10 GGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2cccc(NC(=O)CCN3CCOCC3)c2)c1 ZINC000185080587 1431056228 /nfs/dbraw/zinc/05/62/28/1431056228.db2.gz WNPCZSRVYXAXIO-GOSISDBHSA-N 1 0 397.519 3.212 20 10 GGCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(CS(=O)(=O)NC(C)C)cc2)c1 ZINC000185135883 1431069564 /nfs/dbraw/zinc/06/95/64/1431069564.db2.gz CPUHCNCBSPBVKV-INIZCTEOSA-N 1 0 376.522 3.379 20 10 GGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cccc(C(=O)NC[C@H]3CCCO3)c2)c1 ZINC000185138136 1431070397 /nfs/dbraw/zinc/07/03/97/1431070397.db2.gz UTKCSDSQOUXMKR-DNVCBOLYSA-N 1 0 384.476 3.160 20 10 GGCDRO CN(C)c1ccncc1C[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000185141218 1431071188 /nfs/dbraw/zinc/07/11/88/1431071188.db2.gz BPGRWOXKKOESHR-UHFFFAOYSA-N 1 0 394.441 3.293 20 10 GGCDRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@H](C)c2cc(F)ccc2O)cc1 ZINC000185169522 1431076640 /nfs/dbraw/zinc/07/66/40/1431076640.db2.gz IFHOUGYIHMIXBM-CQSZACIVSA-N 1 0 380.485 3.413 20 10 GGCDRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@H](C)c2cc(OC)ccc2O)cc1 ZINC000185169224 1431076710 /nfs/dbraw/zinc/07/67/10/1431076710.db2.gz UOFPURMBSRBIDR-OAHLLOKOSA-N 1 0 392.521 3.282 20 10 GGCDRO C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cc(F)ccc1O ZINC000185178929 1431078265 /nfs/dbraw/zinc/07/82/65/1431078265.db2.gz YLGRCJVZHINKFP-CQSZACIVSA-N 1 0 378.469 3.167 20 10 GGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(S(=O)(=O)N3CCCC3)cc2)c1 ZINC000185178775 1431078422 /nfs/dbraw/zinc/07/84/22/1431078422.db2.gz OZJYMRGGAXAIKZ-HNNXBMFYSA-N 1 0 390.505 3.036 20 10 GGCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccccc2CS(=O)(=O)NC(C)C)c(O)c1 ZINC000185356068 1431124711 /nfs/dbraw/zinc/12/47/11/1431124711.db2.gz HJIZVHVLXIBSQW-INIZCTEOSA-N 1 0 376.522 3.379 20 10 GGCDRO C[C@H]([NH2+]CC1CCN(S(=O)(=O)c2ccccc2)CC1)c1cc(F)ccc1O ZINC000185974733 1431302619 /nfs/dbraw/zinc/30/26/19/1431302619.db2.gz IIYFNNWFIUYONB-HNNXBMFYSA-N 1 0 392.496 3.283 20 10 GGCDRO C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1ccc(F)cc1[O-] ZINC000186055865 1431320696 /nfs/dbraw/zinc/32/06/96/1431320696.db2.gz KPHBCPMZSQIETA-MRXNPFEDSA-N 1 0 385.483 3.208 20 10 GGCDRO C[C@H]([NH2+]C1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1cc(F)ccc1O ZINC000186055258 1431320966 /nfs/dbraw/zinc/32/09/66/1431320966.db2.gz KMHFLENUUXQJAC-HNNXBMFYSA-N 1 0 392.496 3.176 20 10 GGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCCC(=O)N2CCN(c3ccccc3)CC2)c1 ZINC000186062471 1431322435 /nfs/dbraw/zinc/32/24/35/1431322435.db2.gz OFRKTEOISCLVJS-LJQANCHMSA-N 1 0 381.520 3.480 20 10 GGCDRO COc1cccc(CNC(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)c1O ZINC000186272817 1431368427 /nfs/dbraw/zinc/36/84/27/1431368427.db2.gz WTAAEMGKOUFAKM-LJQANCHMSA-N 1 0 383.492 3.111 20 10 GGCDRO COc1ccc(N2CCN(CCC[NH2+][C@H](C)C3CCSCC3)CC2)cc1 ZINC000186949374 1431574667 /nfs/dbraw/zinc/57/46/67/1431574667.db2.gz SGSZJWVLYYWMNB-GOSISDBHSA-N 1 0 377.598 3.329 20 10 GGCDRO CN1C(=O)CCc2cc(C[NH2+]Cc3ccc(N4CCC(CO)CC4)cc3)ccc21 ZINC000187159104 1431633969 /nfs/dbraw/zinc/63/39/69/1431633969.db2.gz PIIZNRFXTNAVCF-UHFFFAOYSA-N 1 0 393.531 3.094 20 10 GGCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3ccccc3NC(=O)OC)c2)CC1 ZINC000187407167 1431721302 /nfs/dbraw/zinc/72/13/02/1431721302.db2.gz OMPFVYQXBMNXNH-UHFFFAOYSA-N 1 0 382.464 3.259 20 10 GGCDRO C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccc(F)c(F)c1[O-] ZINC000187702728 1431801841 /nfs/dbraw/zinc/80/18/41/1431801841.db2.gz ZFPAQRPDOJDYHF-CQSZACIVSA-N 1 0 376.447 3.478 20 10 GGCDRO Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000188751364 1431958754 /nfs/dbraw/zinc/95/87/54/1431958754.db2.gz HLGCZSKAPJTIFR-INIZCTEOSA-N 1 0 375.538 3.073 20 10 GGCDRO C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)Cc1cc(F)ccc1O ZINC000189984932 1432299852 /nfs/dbraw/zinc/29/98/52/1432299852.db2.gz VLUZGLUDLWWELE-AWEZNQCLSA-N 1 0 378.469 3.264 20 10 GGCDRO CCOC(=O)[C@@](C)(C[NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000191632148 1432696433 /nfs/dbraw/zinc/69/64/33/1432696433.db2.gz KPHLZQOCEXIHDP-QHCPKHFHSA-N 1 0 382.504 3.134 20 10 GGCDRO CCCC[C@@H]1CCC[C@@H]1[NH2+]CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000191828162 1432734087 /nfs/dbraw/zinc/73/40/87/1432734087.db2.gz QXGTVIJGIPKNOM-QUCCMNQESA-N 1 0 391.531 3.227 20 10 GGCDRO CCn1nc(C)c([N+](=O)[O-])c1NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000192577550 1432862454 /nfs/dbraw/zinc/86/24/54/1432862454.db2.gz NGZVHLPWCAPJKC-UHFFFAOYSA-N 1 0 390.463 3.013 20 10 GGCDRO Cc1cc(C)c(O)c(C[NH+]2CCC(NS(=O)(=O)c3cccs3)CC2)c1 ZINC000192595643 1432864167 /nfs/dbraw/zinc/86/41/67/1432864167.db2.gz OIPDMLQBQKKDJQ-UHFFFAOYSA-N 1 0 380.535 3.013 20 10 GGCDRO CCCS(=O)(=O)N1CCC([NH2+][C@@H](C)c2ccc3ccccc3c2O)CC1 ZINC000192844041 1432898002 /nfs/dbraw/zinc/89/80/02/1432898002.db2.gz LBHXTJJTLFAEGQ-HNNXBMFYSA-N 1 0 376.522 3.400 20 10 GGCDRO CCCC[N@H+](Cc1cc(OC)cc(C(C)(C)C)c1O)[C@H]1CCS(=O)(=O)C1 ZINC000192942017 1432910865 /nfs/dbraw/zinc/91/08/65/1432910865.db2.gz QSIUBSBJYICUMH-INIZCTEOSA-N 1 0 383.554 3.488 20 10 GGCDRO O=C(N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1cccc(O)c1O ZINC000193070064 1432931868 /nfs/dbraw/zinc/93/18/68/1432931868.db2.gz ROWGPPZVADKZQQ-AWEZNQCLSA-N 1 0 380.366 3.121 20 10 GGCDRO CC(C)CCOC1CC[NH+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000193116602 1432938551 /nfs/dbraw/zinc/93/85/51/1432938551.db2.gz NXHQNKSUGCWMDI-UHFFFAOYSA-N 1 0 375.557 3.238 20 10 GGCDRO Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)c1cccc(O)c1O ZINC000193141470 1432943754 /nfs/dbraw/zinc/94/37/54/1432943754.db2.gz VUJAGPZTPMXESC-QGZVFWFLSA-N 1 0 392.459 3.302 20 10 GGCDRO CCOC1CC(C[NH2+][C@H](CC)c2ccc(N(C)C)cc2)(N2CCOCC2)C1 ZINC000193395361 1432990309 /nfs/dbraw/zinc/99/03/09/1432990309.db2.gz AKIKOUMHOWSSOY-ATKRNPRHSA-N 1 0 375.557 3.063 20 10 GGCDRO COc1ccc(N2CCC[N@H+](C[C@H](O)COc3ccccc3Cl)CC2)cc1 ZINC000193705314 1433043982 /nfs/dbraw/zinc/04/39/82/1433043982.db2.gz WPWNHPUKPOQIRL-SFHVURJKSA-N 1 0 390.911 3.301 20 10 GGCDRO CC(C)(C)[NH+]1CCC(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)CC1 ZINC000193851817 1433072966 /nfs/dbraw/zinc/07/29/66/1433072966.db2.gz BISIXPRCOXHHKM-LJQANCHMSA-N 1 0 389.540 3.346 20 10 GGCDRO CCN(CC)c1ccc(CNC(=O)NC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000194428255 1433176490 /nfs/dbraw/zinc/17/64/90/1433176490.db2.gz NHKGAOBTESKMAL-UHFFFAOYSA-N 1 0 395.551 3.392 20 10 GGCDRO COc1ccc(O)c([C@H](C)NC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000194457539 1433181396 /nfs/dbraw/zinc/18/13/96/1433181396.db2.gz SCYAGUQSTURGGZ-FUHWJXTLSA-N 1 0 383.492 3.283 20 10 GGCDRO COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000194457508 1433181472 /nfs/dbraw/zinc/18/14/72/1433181472.db2.gz SCYAGUQSTURGGZ-WMZOPIPTSA-N 1 0 383.492 3.283 20 10 GGCDRO Cc1cc(C(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)c(C)n1-c1cccc(C)c1 ZINC000195571497 1433339982 /nfs/dbraw/zinc/33/99/82/1433339982.db2.gz AAXCFWNFLUBJAJ-QHCPKHFHSA-N 1 0 396.579 3.404 20 10 GGCDRO COc1ccc(N2CC[NH+](CCCNC(=O)/C=C(\C)c3ccccc3)CC2)cc1 ZINC000207266796 1433354421 /nfs/dbraw/zinc/35/44/21/1433354421.db2.gz NVRQAGLPOPNBBN-FMQUCBEESA-N 1 0 393.531 3.427 20 10 GGCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H](O)CN2CCc3ccccc3C2)cc1F ZINC000236961120 1433384020 /nfs/dbraw/zinc/38/40/20/1433384020.db2.gz RBDMNTVZZVZWPQ-OAQYLSRUSA-N 1 0 385.527 3.181 20 10 GGCDRO CCN(Cc1ccccc1)c1ccc(C[NH2+]CCC(=O)N2CCOCC2)cc1 ZINC000236965077 1433384375 /nfs/dbraw/zinc/38/43/75/1433384375.db2.gz PJHXWQZMRDDUCS-UHFFFAOYSA-N 1 0 381.520 3.052 20 10 GGCDRO CCOc1ccc(O)c(C[NH2+]Cc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)c1 ZINC000237079296 1433388270 /nfs/dbraw/zinc/38/82/70/1433388270.db2.gz SIAIGJSICDJKJD-IRXDYDNUSA-N 1 0 398.503 3.330 20 10 GGCDRO COc1ccc(N2CCN(CCC[NH2+]Cc3cc(F)c(F)c(F)c3)CC2)cc1 ZINC000237271190 1433395296 /nfs/dbraw/zinc/39/52/96/1433395296.db2.gz YMJWWRXWKBVHIP-UHFFFAOYSA-N 1 0 393.453 3.414 20 10 GGCDRO COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)C[C@@H]2CSCC[NH2+]2)cc1 ZINC000237452079 1433403584 /nfs/dbraw/zinc/40/35/84/1433403584.db2.gz VWDXMAKANKQOJS-GOSISDBHSA-N 1 0 399.560 3.390 20 10 GGCDRO COc1ccc(N2CCCN(C(=O)C3(c4ccccc4)CC[NH2+]CC3)CC2)cc1 ZINC000237576404 1433410715 /nfs/dbraw/zinc/41/07/15/1433410715.db2.gz KWGSTIGLVCQALD-UHFFFAOYSA-N 1 0 393.531 3.055 20 10 GGCDRO Cc1cc(C(=O)N2CCC[NH2+]CC2)c(C)n1-c1ccccc1Br ZINC000237685875 1433416896 /nfs/dbraw/zinc/41/68/96/1433416896.db2.gz XCCCTYSEJTXHKZ-UHFFFAOYSA-N 1 0 376.298 3.292 20 10 GGCDRO [NH3+][C@@H](CC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccccc1 ZINC000237897834 1433432412 /nfs/dbraw/zinc/43/24/12/1433432412.db2.gz NRKYXAFIISHCQV-APWZRJJASA-N 1 0 389.446 3.463 20 10 GGCDRO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000237913421 1433434138 /nfs/dbraw/zinc/43/41/38/1433434138.db2.gz PNRKSQSGLKHZDG-NPYXIHBLSA-N 1 0 393.478 3.294 20 10 GGCDRO O[C@H](C[NH2+]Cc1ccc(N2CCCCC2)cc1)CN1CCc2ccccc2C1 ZINC000237960049 1433437122 /nfs/dbraw/zinc/43/71/22/1433437122.db2.gz UNRXDKDGUHJLJI-XMMPIXPASA-N 1 0 379.548 3.186 20 10 GGCDRO COc1ccc(N2CCCN([C@H]3CCN(c4ccccc4OC)C3=O)CC2)cc1 ZINC000246250596 1433586482 /nfs/dbraw/zinc/58/64/82/1433586482.db2.gz PJLJDZMATJGIDM-NRFANRHFSA-N 1 0 395.503 3.021 20 10 GGCDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cc(C)n(-c3ccccn3)c2C)[C@@H](C)C1 ZINC000246748865 1433659438 /nfs/dbraw/zinc/65/94/38/1433659438.db2.gz JECJQXFAEIGVCU-LAUBAEHRSA-N 1 0 398.551 3.356 20 10 GGCDRO C[N@H+](CC(=O)N1CCC[C@@H]2CCCC[C@H]21)Cc1ccc(N2CCOCC2)cc1 ZINC000247552579 1433736504 /nfs/dbraw/zinc/73/65/04/1433736504.db2.gz KMGIPAPKSRIUSU-RBBKRZOGSA-N 1 0 385.552 3.136 20 10 GGCDRO Oc1ccccc1C[N@H+](C[C@@H](O)COc1cccc2[nH]ccc21)C[C@@H]1CCCO1 ZINC000247673881 1433746176 /nfs/dbraw/zinc/74/61/76/1433746176.db2.gz YWPRSGNLNSXVDY-MOPGFXCFSA-N 1 0 396.487 3.294 20 10 GGCDRO COc1ccc(O)c([C@H](C)NC(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000248410765 1433800393 /nfs/dbraw/zinc/80/03/93/1433800393.db2.gz YGHVIUAKHWXOCX-PMPSAXMXSA-N 1 0 375.513 3.414 20 10 GGCDRO C[C@H](CNC(=O)NCc1ccc(N2CCSCC2)cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000249514576 1433845822 /nfs/dbraw/zinc/84/58/22/1433845822.db2.gz ARUSEGILPXELQB-ZWKOTPCHSA-N 1 0 390.597 3.159 20 10 GGCDRO C[NH+](C)CC(C)(C)CN1C(=O)/C(=C\c2ccc3c(c2)CCO3)SC1=S ZINC000255061456 1433875254 /nfs/dbraw/zinc/87/52/54/1433875254.db2.gz DUVCTXXAZJZPCY-MHWRWJLKSA-N 1 0 376.547 3.411 20 10 GGCDRO Oc1ccccc1C[N@H+](C[C@@H](O)COCc1ccccc1F)C[C@H]1CCCO1 ZINC000255508855 1433883901 /nfs/dbraw/zinc/88/39/01/1433883901.db2.gz XZWZGGPSEUQMLF-WOJBJXKFSA-N 1 0 389.467 3.090 20 10 GGCDRO CC(C)(O)C[NH+]1CCN(CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1 ZINC000255642380 1433887221 /nfs/dbraw/zinc/88/72/21/1433887221.db2.gz MJHXAAXXRBGMIB-UHFFFAOYSA-N 1 0 395.507 3.429 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)/C=C\c3cnc(C)s3)cc2F)CC1 ZINC000255755041 1433889003 /nfs/dbraw/zinc/88/90/03/1433889003.db2.gz LJJMOKKFGUPOEO-ALCCZGGFSA-N 1 0 388.512 3.062 20 10 GGCDRO COCC1(CNC(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)CC[NH2+]CC1 ZINC000261660271 1433898504 /nfs/dbraw/zinc/89/85/04/1433898504.db2.gz FEGNHVPMAPNGCI-UHFFFAOYSA-N 1 0 389.927 3.494 20 10 GGCDRO Cc1cc(C(=O)NC2CC[NH2+]CC2)c(C)n1-c1ccccc1Br ZINC000262513976 1433941956 /nfs/dbraw/zinc/94/19/56/1433941956.db2.gz QKKCRPVACHSNFJ-UHFFFAOYSA-N 1 0 376.298 3.338 20 10 GGCDRO Nc1ccc(CC(=O)Nc2cccc(NC(=O)C[NH+]3CCCCCC3)c2)cc1 ZINC000262638146 1433947538 /nfs/dbraw/zinc/94/75/38/1433947538.db2.gz IZFZPRWUWVGOLQ-UHFFFAOYSA-N 1 0 380.492 3.265 20 10 GGCDRO COc1cccc(C[NH2+]Cc2nnc3c(Cl)cc(C(F)(F)F)cn23)c1O ZINC000263713558 1434024339 /nfs/dbraw/zinc/02/43/39/1434024339.db2.gz UYUUEPLRYLABGL-UHFFFAOYSA-N 1 0 386.761 3.406 20 10 GGCDRO COc1ccc(/C=C2/SC(=S)N(CC(C)(C)C[NH+](C)C)C2=O)cc1OC ZINC000263890772 1434046141 /nfs/dbraw/zinc/04/61/41/1434046141.db2.gz RTMCMROGKRSBLZ-MHWRWJLKSA-N 1 0 394.562 3.493 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3c(C)noc3C(C)C)cc2F)CC1 ZINC000264414975 1434109617 /nfs/dbraw/zinc/10/96/17/1434109617.db2.gz HZBBXAXGPRJCAZ-UHFFFAOYSA-N 1 0 388.487 3.317 20 10 GGCDRO COCCOc1ccc(/C=C2/SC(=S)N(C3CC[NH+](C)CC3)C2=O)cc1 ZINC000264476157 1434117696 /nfs/dbraw/zinc/11/76/96/1434117696.db2.gz WHMKXUYAVCJMIH-GHRIWEEISA-N 1 0 392.546 3.007 20 10 GGCDRO C[NH+]1CCC(N(Cc2ccco2)C(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000265844405 1434271730 /nfs/dbraw/zinc/27/17/30/1434271730.db2.gz ADJPCBAODVACEK-UHFFFAOYSA-N 1 0 394.519 3.462 20 10 GGCDRO C[NH+]1CCN(CCOc2ccc(NCc3c(O)cccc3Cl)cc2)CC1 ZINC000266154128 1434307019 /nfs/dbraw/zinc/30/70/19/1434307019.db2.gz LFJZCWFHOGOSRY-UHFFFAOYSA-N 1 0 375.900 3.284 20 10 GGCDRO CCCOc1ccc(C[NH2+][C@@H](Cc2c[nH]c3ccccc23)C(=O)NC)c(O)c1 ZINC000266179505 1434308642 /nfs/dbraw/zinc/30/86/42/1434308642.db2.gz UPWMZOKMHQRJFV-FQEVSTJZSA-N 1 0 381.476 3.109 20 10 GGCDRO COc1ccc([C@@H](CNC(=O)NCc2cccc(OC)c2O)[NH+]2CCCC2)cc1 ZINC000266280874 1434315950 /nfs/dbraw/zinc/31/59/50/1434315950.db2.gz GJYGOHMXXXABLT-LJQANCHMSA-N 1 0 399.491 3.046 20 10 GGCDRO CCOc1ccc(O)c(C[NH2+]CCCc2nnc(SC)n2CC(C)C)c1 ZINC000266970436 1434394293 /nfs/dbraw/zinc/39/42/93/1434394293.db2.gz OEUFZLXMAPQJHZ-UHFFFAOYSA-N 1 0 378.542 3.483 20 10 GGCDRO CC(=O)c1cc(F)cc(C[NH+]2CCC(C(=O)NC3CCCCC3)CC2)c1O ZINC000267078391 1434405910 /nfs/dbraw/zinc/40/59/10/1434405910.db2.gz QILJAQPYXFKXFP-UHFFFAOYSA-N 1 0 376.472 3.395 20 10 GGCDRO C[C@H]([NH2+]Cc1cccc(C(=O)N(C)C)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000268752540 1434553000 /nfs/dbraw/zinc/55/30/00/1434553000.db2.gz KKQKMLFEIDWIJU-INIZCTEOSA-N 1 0 385.483 3.215 20 10 GGCDRO C[C@H]([NH2+]Cc1ccccc1Cn1cncn1)c1ccc(N2CCOCC2)c(F)c1 ZINC000268775338 1434556005 /nfs/dbraw/zinc/55/60/05/1434556005.db2.gz RKTRMISNEHUBAQ-KRWDZBQOSA-N 1 0 395.482 3.153 20 10 GGCDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2ccc(C(=O)N3CCN(C)CC3)cc2)cc1 ZINC000268786717 1434557382 /nfs/dbraw/zinc/55/73/82/1434557382.db2.gz BOJSMXBKLJNAGH-IBGZPJMESA-N 1 0 394.563 3.381 20 10 GGCDRO CC[C@@H]([NH2+]Cc1cccc(C(=O)N2CCOCC2)c1)c1ccc(N(C)C)cc1 ZINC000268796414 1434558339 /nfs/dbraw/zinc/55/83/39/1434558339.db2.gz IKJJTGKPDHJLMG-JOCHJYFZSA-N 1 0 381.520 3.466 20 10 GGCDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)cc1[N+](=O)[O-] ZINC000268814433 1434560433 /nfs/dbraw/zinc/56/04/33/1434560433.db2.gz JYSCESXRYHZSAF-AWEZNQCLSA-N 1 0 389.427 3.430 20 10 GGCDRO C[C@@H]1CN(c2ccc(CNC(=O)C[C@@H]([NH3+])c3ccccc3)cc2F)C[C@@H](C)O1 ZINC000269487624 1434652952 /nfs/dbraw/zinc/65/29/52/1434652952.db2.gz IBZNLECJSOBBSS-JXXFODFXSA-N 1 0 385.483 3.146 20 10 GGCDRO COCCC[N@H+](Cc1cc(-c2ccccc2)ccc1O)[C@H]1CCS(=O)(=O)C1 ZINC000271038114 1434797896 /nfs/dbraw/zinc/79/78/96/1434797896.db2.gz MBWQENYPPGMHAG-FQEVSTJZSA-N 1 0 389.517 3.085 20 10 GGCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)cc1OC ZINC000271108817 1434802361 /nfs/dbraw/zinc/80/23/61/1434802361.db2.gz SUKOQQKPIKAHAL-DZGCQCFKSA-N 1 0 380.485 3.145 20 10 GGCDRO COc1cc(O)c(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)cc1OC ZINC000271108822 1434802365 /nfs/dbraw/zinc/80/23/65/1434802365.db2.gz SUKOQQKPIKAHAL-ZFWWWQNUSA-N 1 0 380.485 3.145 20 10 GGCDRO CCOc1cccc(C[N@H+](C)CCCOc2cccc(S(C)(=O)=O)c2)c1O ZINC000271153481 1434805031 /nfs/dbraw/zinc/80/50/31/1434805031.db2.gz VBXPCHHJEOKAJU-UHFFFAOYSA-N 1 0 393.505 3.095 20 10 GGCDRO COc1cccc(C[N@H+]2CCCN(Cc3csc([C@@H](C)OC)n3)CC2)c1O ZINC000271292009 1434813629 /nfs/dbraw/zinc/81/36/29/1434813629.db2.gz RRJZWLHGQGNFIW-OAHLLOKOSA-N 1 0 391.537 3.273 20 10 GGCDRO C[C@@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C1=O)c1ccc(N2CCOCC2)c(F)c1 ZINC000271419789 1434823342 /nfs/dbraw/zinc/82/33/42/1434823342.db2.gz BLTLPIGPAKCBLK-DYESRHJHSA-N 1 0 397.494 3.114 20 10 GGCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@H](C)c1cccc(OC(C)C)c1)cc2=O ZINC000271769482 1434849208 /nfs/dbraw/zinc/84/92/08/1434849208.db2.gz NQGBDVZCDTVTKC-CQSZACIVSA-N 1 0 398.463 3.250 20 10 GGCDRO COc1ccc(O)c(C[NH+]2CCC(OCCCNC(=O)OC(C)(C)C)CC2)c1 ZINC000271787108 1434850607 /nfs/dbraw/zinc/85/06/07/1434850607.db2.gz IOHUWDMSIMFNBR-UHFFFAOYSA-N 1 0 394.512 3.297 20 10 GGCDRO COc1cc(O)c(C[NH2+]CCCc2nnc(SC)n2CC(C)C)cc1OC ZINC000271818950 1434852584 /nfs/dbraw/zinc/85/25/84/1434852584.db2.gz CCAXTHSTEJSTMQ-UHFFFAOYSA-N 1 0 394.541 3.101 20 10 GGCDRO COCCOCC[N@H+](Cc1ccccc1)Cc1cc(OC)c(OC)cc1O ZINC000271828859 1434853189 /nfs/dbraw/zinc/85/31/89/1434853189.db2.gz OIHSNRHSGHFEPI-UHFFFAOYSA-N 1 0 375.465 3.075 20 10 GGCDRO COc1ccc(O)c(C[NH2+]Cc2nnc3c(Cl)cc(C(F)(F)F)cn23)c1 ZINC000271888070 1434857300 /nfs/dbraw/zinc/85/73/00/1434857300.db2.gz DKIBRLOQHKPLLJ-UHFFFAOYSA-N 1 0 386.761 3.406 20 10 GGCDRO COc1cc(O)c(C[N@@H+]2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)cc1OC ZINC000272156653 1434875338 /nfs/dbraw/zinc/87/53/38/1434875338.db2.gz AJLROQCHKBSXBV-KGLIPLIRSA-N 1 0 380.485 3.145 20 10 GGCDRO COc1cccc(CNC(=O)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1O ZINC000272522051 1434903583 /nfs/dbraw/zinc/90/35/83/1434903583.db2.gz NTTLVJOCZUJFKS-QFBILLFUSA-N 1 0 383.492 3.111 20 10 GGCDRO CC[C@@H]1C[C@H](CC(=O)NCc2ccc(N3CC[NH+](CC)CC3)c(F)c2)CCO1 ZINC000272689149 1434922872 /nfs/dbraw/zinc/92/28/72/1434922872.db2.gz CYLPINWTCMRNIG-IEBWSBKVSA-N 1 0 391.531 3.179 20 10 GGCDRO C[C@H]([NH2+]Cc1ccc(C(=O)N2CCN(C)CC2)cc1)c1cc(Cl)ccc1O ZINC000273380872 1434984775 /nfs/dbraw/zinc/98/47/75/1434984775.db2.gz IGCPJNXNCAWMRU-HNNXBMFYSA-N 1 0 387.911 3.284 20 10 GGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2OCC(=O)NC[C@H]2CCCO2)c(O)c1 ZINC000273389202 1434985564 /nfs/dbraw/zinc/98/55/64/1434985564.db2.gz KIDBJMAHWQWTLZ-IEBWSBKVSA-N 1 0 398.503 3.225 20 10 GGCDRO COc1cc(C[NH2+][C@H](C)c2cc(Cl)ccc2O)ccc1OCC(=O)N(C)C ZINC000273430109 1434988265 /nfs/dbraw/zinc/98/82/65/1434988265.db2.gz VHRAQQUSGZLXEW-CYBMUJFWSA-N 1 0 392.883 3.372 20 10 GGCDRO C[C@H]([NH2+]C[C@@](O)(c1nccn1C)C(F)(F)F)c1cc2c(cc1O)CCCC2 ZINC000273453304 1434989629 /nfs/dbraw/zinc/98/96/29/1434989629.db2.gz PFLVJXGBRFJIRU-KPZWWZAWSA-N 1 0 383.414 3.105 20 10 GGCDRO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@H]1[NH2+]Cc1ccccc1O ZINC000273889031 1435025513 /nfs/dbraw/zinc/02/55/13/1435025513.db2.gz SWGZLYOJIBCEBZ-KZNAEPCWSA-N 1 0 376.497 3.286 20 10 GGCDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)[C@@]12CCCO2 ZINC000274244399 1435054481 /nfs/dbraw/zinc/05/44/81/1435054481.db2.gz RGJIZFNAOQOQBE-KQLYMOGASA-N 1 0 378.488 3.040 20 10 GGCDRO COC(=O)COc1ccc([C@H](C)[NH2+]Cc2cc(F)cc(C(C)=O)c2O)cc1 ZINC000274516710 1435076184 /nfs/dbraw/zinc/07/61/84/1435076184.db2.gz XWUSTOIACONLKE-LBPRGKRZSA-N 1 0 375.396 3.137 20 10 GGCDRO Cc1ccc([C@@H](CCn2cncn2)[NH2+]Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000275926855 1435180153 /nfs/dbraw/zinc/18/01/53/1435180153.db2.gz WXNZXMPQSDVQLA-HSZRJFAPSA-N 1 0 391.519 3.344 20 10 GGCDRO Cc1ccc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c(OCC[NH+](C)C)c1 ZINC000276840894 1435236714 /nfs/dbraw/zinc/23/67/14/1435236714.db2.gz GWOYFWRVJVMIPD-HNNXBMFYSA-N 1 0 387.480 3.099 20 10 GGCDRO C[NH+](C)Cc1cccc(CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)c1 ZINC000277218105 1435279994 /nfs/dbraw/zinc/27/99/94/1435279994.db2.gz FUBDJJJNKDSJQV-UHFFFAOYSA-N 1 0 387.867 3.072 20 10 GGCDRO CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278249002 1435373402 /nfs/dbraw/zinc/37/34/02/1435373402.db2.gz OXKIFBKUPPVOFI-UHFFFAOYSA-N 1 0 387.436 3.033 20 10 GGCDRO COc1c([O-])c(C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000278512494 1435396229 /nfs/dbraw/zinc/39/62/29/1435396229.db2.gz QCUBAMVOGHYWQM-CRAIPNDOSA-N 1 0 385.464 3.309 20 10 GGCDRO C[C@@H]([NH2+]CCOCC(F)(F)C(F)F)c1ccc(N2CCOCC2)c(F)c1 ZINC000278576731 1435401743 /nfs/dbraw/zinc/40/17/43/1435401743.db2.gz XUTQIDYIOLMFMZ-GFCCVEGCSA-N 1 0 382.373 3.230 20 10 GGCDRO COc1c(O)c(CNc2ccc(C)cc2OCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000278873811 1435434131 /nfs/dbraw/zinc/43/41/31/1435434131.db2.gz NENWFAQHBBIKOC-UHFFFAOYSA-N 1 0 375.425 3.170 20 10 GGCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccc(Cl)cc1-n1cncn1 ZINC000279707120 1435532932 /nfs/dbraw/zinc/53/29/32/1435532932.db2.gz SOQKEJOEWFBNOA-UHFFFAOYSA-N 1 0 397.910 3.389 20 10 GGCDRO OC1CCN(c2ccc(C[NH2+]Cc3ccnn3-c3ccc(F)cc3)cc2F)CC1 ZINC000279947044 1435567666 /nfs/dbraw/zinc/56/76/66/1435567666.db2.gz ODRCFVJUDJJLRR-UHFFFAOYSA-N 1 0 398.457 3.401 20 10 GGCDRO CCOc1ccc(O)c(C[NH2+][C@H](c2ccc(C)cc2)[C@H](C)S(C)(=O)=O)c1 ZINC000280692650 1435705020 /nfs/dbraw/zinc/70/50/20/1435705020.db2.gz OTWZGEGLJISRBS-YWZLYKJASA-N 1 0 377.506 3.363 20 10 GGCDRO O=C(Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)c1c(F)ccc(O)c1F ZINC000280721750 1435709231 /nfs/dbraw/zinc/70/92/31/1435709231.db2.gz HJYZWZGPGFWDPO-UHFFFAOYSA-N 1 0 387.430 3.455 20 10 GGCDRO CCOc1cccc(C[NH2+][C@H](c2ccc(C)cc2)[C@@H](C)S(C)(=O)=O)c1O ZINC000280796015 1435721894 /nfs/dbraw/zinc/72/18/94/1435721894.db2.gz RPOHTXQBEUNWLR-BEFAXECRSA-N 1 0 377.506 3.363 20 10 GGCDRO CCOc1cccc(C[NH2+][C@@H](c2ccc(C)cc2)[C@@H](C)S(C)(=O)=O)c1O ZINC000280796017 1435722204 /nfs/dbraw/zinc/72/22/04/1435722204.db2.gz RPOHTXQBEUNWLR-DNVCBOLYSA-N 1 0 377.506 3.363 20 10 GGCDRO C[C@H]([NH2+]C[C@@H]1CCn2ncc(C(N)=O)c2C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000281244071 1435800521 /nfs/dbraw/zinc/80/05/21/1435800521.db2.gz VKHIEYISJGPHRB-JKSUJKDBSA-N 1 0 399.514 3.025 20 10 GGCDRO COc1ccccc1-n1nccc1C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000281362617 1435805622 /nfs/dbraw/zinc/80/56/22/1435805622.db2.gz FUEUYZGESZJAEF-UHFFFAOYSA-N 1 0 396.466 3.146 20 10 GGCDRO O=S(=O)(C1CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1)N1CCCC1 ZINC000282253772 1435840229 /nfs/dbraw/zinc/84/02/29/1435840229.db2.gz BJRMEQFTWGBNHM-UHFFFAOYSA-N 1 0 391.581 3.067 20 10 GGCDRO Cn1cc(-c2ccc(C[NH2+]Cc3ccc(N4CCOCC4)c(F)c3)s2)cn1 ZINC000282337718 1435843681 /nfs/dbraw/zinc/84/36/81/1435843681.db2.gz VSBPGQFTCILQBW-UHFFFAOYSA-N 1 0 386.496 3.414 20 10 GGCDRO CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(N3CC[NH+](CC)CC3)c2)c1 ZINC000283141563 1435876520 /nfs/dbraw/zinc/87/65/20/1435876520.db2.gz JCLNTTFQFBMRRR-UHFFFAOYSA-N 1 0 398.463 3.388 20 10 GGCDRO CCCCN(Cc1ccccc1O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000283624717 1435898370 /nfs/dbraw/zinc/89/83/70/1435898370.db2.gz MTJJCXARJCDQML-FPOVZHCZSA-N 1 0 389.540 3.082 20 10 GGCDRO CCCCN(Cc1ccccc1O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000283624708 1435898424 /nfs/dbraw/zinc/89/84/24/1435898424.db2.gz MTJJCXARJCDQML-CTNGQTDRSA-N 1 0 389.540 3.082 20 10 GGCDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C(C)(C)n1cncn1 ZINC000284231853 1436005865 /nfs/dbraw/zinc/00/58/65/1436005865.db2.gz URHBMQSPPJKMIV-LSDHHAIUSA-N 1 0 379.455 3.262 20 10 GGCDRO CCS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2cc(OC)c(OC)cc2O)cc1 ZINC000284299616 1436011258 /nfs/dbraw/zinc/01/12/58/1436011258.db2.gz BNVFVWSAEMMKGB-ZDUSSCGKSA-N 1 0 379.478 3.054 20 10 GGCDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F)C(C)(C)n1cncn1 ZINC000284321371 1436013027 /nfs/dbraw/zinc/01/30/27/1436013027.db2.gz ZVDPGUZHAIBPDQ-AWEZNQCLSA-N 1 0 397.445 3.047 20 10 GGCDRO C[C@H]([NH2+][C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C)c1cc2c(cc1O)CCCC2 ZINC000284748229 1436045976 /nfs/dbraw/zinc/04/59/76/1436045976.db2.gz FQYFFSVTWNGJCH-GKIWIXTESA-N 1 0 382.508 3.017 20 10 GGCDRO c1cc(N2CCCCC2)ccc1C[NH2+]CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000823756718 946476955 /nfs/dbraw/zinc/47/69/55/946476955.db2.gz FXEZPMKTDLGECX-UHFFFAOYSA-N 1 0 378.480 3.026 20 10 GGCDRO C[NH+]1CCN(c2ccc(C[N@H+](CCCC(=O)[O-])Cc3ccccc3)cc2)CC1 ZINC000901802465 980527292 /nfs/dbraw/zinc/52/72/92/980527292.db2.gz XGGJMTGZWXBQGN-UHFFFAOYSA-N 1 0 381.520 3.305 20 10 GGCDRO C[C@@H]([NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)c1cc(C(=O)[O-])ccc1O ZINC001593299004 994720177 /nfs/dbraw/zinc/72/01/77/994720177.db2.gz PDSMNWFYXQGWJQ-OAHLLOKOSA-N 1 0 384.476 3.414 20 10 GGCDRO C[C@@H]1[C@H](CC(=O)[O-])CC[C@@H]1[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC001594186118 998720727 /nfs/dbraw/zinc/72/07/27/998720727.db2.gz UIQHLKMHQQYLFD-AGHHOFFYSA-N 1 0 385.552 3.198 20 10 GGCDRO C[C@H]1CCCN(c2ccc(C[NH2+]C3CC[NH+](CC(=O)[O-])CC3)cc2Cl)C1 ZINC001594388930 999472722 /nfs/dbraw/zinc/47/27/22/999472722.db2.gz KAUSJZYDZMMFMR-HNNXBMFYSA-N 1 0 379.932 3.215 20 10 GGCDRO O[C@@H]([C@H](Cc1ccccc1)[NH2+]Cc1ccc(N2CCOCC2)cc1)C(F)(F)F ZINC000734844377 1126106809 /nfs/dbraw/zinc/10/68/09/1126106809.db2.gz XFYSLNOTFQQEGX-PMACEKPBSA-N 1 0 394.437 3.147 20 10 GGCDRO O[C@@H]([C@@H](Cc1ccccc1)[NH2+]Cc1ccc(N2CCOCC2)cc1)C(F)(F)F ZINC000734844378 1126106817 /nfs/dbraw/zinc/10/68/17/1126106817.db2.gz XFYSLNOTFQQEGX-UXHICEINSA-N 1 0 394.437 3.147 20 10 GGCDRO O[C@H]([C@@H](Cc1ccccc1)[NH2+]Cc1ccc(N2CCOCC2)cc1)C(F)(F)F ZINC000734844381 1126106852 /nfs/dbraw/zinc/10/68/52/1126106852.db2.gz XFYSLNOTFQQEGX-WOJBJXKFSA-N 1 0 394.437 3.147 20 10 GGCDRO COc1cc(Br)cc(C[NH2+][C@H](CO)Cc2ccc(C)c(C)c2)c1O ZINC000835074929 1126111450 /nfs/dbraw/zinc/11/14/50/1126111450.db2.gz VELVEOKNNGOCAR-KRWDZBQOSA-N 1 0 394.309 3.473 20 10 GGCDRO O=[N+]([O-])c1cc(C[NH2+][C@H](CO)Cc2ccc(F)cc2)ccc1N1CCCCC1 ZINC000766488272 1126109002 /nfs/dbraw/zinc/10/90/02/1126109002.db2.gz KJVLQPHHFZRPAI-IBGZPJMESA-N 1 0 387.455 3.417 20 10 GGCDRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2cc(Cl)cc(OC)c2O)cc1OC ZINC000877830801 1126123172 /nfs/dbraw/zinc/12/31/72/1126123172.db2.gz KYJKIOCUTSEDBB-FQEVSTJZSA-N 1 0 395.883 3.155 20 10 GGCDRO COc1ccc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)c(O)c1OC ZINC001334182352 1126179240 /nfs/dbraw/zinc/17/92/40/1126179240.db2.gz HWAWIPNOPLORDF-KBXCAEBGSA-N 1 0 385.382 3.034 20 10 GGCDRO COc1ccc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3Cc3ccccc3)CC2)cc1 ZINC000083947487 536687534 /nfs/dbraw/zinc/68/75/34/536687534.db2.gz VPCYOBFJJVVVLK-JOCHJYFZSA-N 1 0 379.504 3.008 20 10 GGCDRO Cc1cc(O)c(C[NH+]2CCC(NS(=O)(=O)c3cccs3)CC2)cc1C ZINC000054358744 564603750 /nfs/dbraw/zinc/60/37/50/564603750.db2.gz FDBJIFAWQMMMDM-UHFFFAOYSA-N 1 0 380.535 3.013 20 10 GGCDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@@H](c3nc(C)no3)C2)c1O ZINC000091832292 564872348 /nfs/dbraw/zinc/87/23/48/564872348.db2.gz MYPWCSXYTMJSRT-LLVKDONJSA-N 1 0 382.258 3.234 20 10 GGCDRO O=C(CC1CC[NH+](Cc2cc(Br)ccc2O)CC1)N1CCCC1 ZINC000092055467 564873844 /nfs/dbraw/zinc/87/38/44/564873844.db2.gz NYPFDYUAVMZILQ-UHFFFAOYSA-N 1 0 381.314 3.379 20 10 GGCDRO CC[N@H+](Cc1ccc(C(=O)N(C)C)[nH]1)Cc1cc(Br)ccc1O ZINC000093866944 564891620 /nfs/dbraw/zinc/89/16/20/564891620.db2.gz QASSTOAEZHSCKN-UHFFFAOYSA-N 1 0 380.286 3.207 20 10 GGCDRO COc1cccc(C[NH2+]Cc2cc(OC)c(OC)cc2Br)c1O ZINC000105487637 564966750 /nfs/dbraw/zinc/96/67/50/564966750.db2.gz KFCZXIDBUHGYBB-UHFFFAOYSA-N 1 0 382.254 3.470 20 10 GGCDRO CS(=O)(=O)C[C@@H]([NH2+]Cc1cc(Br)ccc1O)c1ccccc1 ZINC000154998957 565059081 /nfs/dbraw/zinc/05/90/81/565059081.db2.gz TVZYFIVYGMNGQM-OAHLLOKOSA-N 1 0 384.295 3.030 20 10 GGCDRO CC[C@@H]([NH2+]Cc1cccc(OCC(N)=O)c1)c1cc(Br)ccc1O ZINC000156073918 565074862 /nfs/dbraw/zinc/07/48/62/565074862.db2.gz WLVZHEMROSYMTA-MRXNPFEDSA-N 1 0 393.281 3.260 20 10 GGCDRO Oc1ccc(Br)cc1C[NH2+]Cc1cccc(N2CCOCC2)c1 ZINC000293021009 565146940 /nfs/dbraw/zinc/14/69/40/565146940.db2.gz QTHSVWWXBCETKD-UHFFFAOYSA-N 1 0 377.282 3.281 20 10 GGCDRO C[NH+]1CCC(N2C(=O)/C(=C/c3cncc(Br)c3)SC2=S)CC1 ZINC000184757789 565155417 /nfs/dbraw/zinc/15/54/17/565155417.db2.gz SMONMXAZYRGRCC-QPEQYQDCSA-N 1 0 398.351 3.140 20 10 GGCDRO C[C@@H]([NH2+]CCc1nnc2n1CCCCC2)c1cc(Br)ccc1O ZINC000184955402 565167977 /nfs/dbraw/zinc/16/79/77/565167977.db2.gz UPDDAFKOUMGMPR-GFCCVEGCSA-N 1 0 379.302 3.366 20 10 GGCDRO Cc1cc(Br)cc(C[NH+]2CCC(OC[C@@H]3CCOC3)CC2)c1O ZINC000371796686 565210710 /nfs/dbraw/zinc/21/07/10/565210710.db2.gz RINFWIOYKJRWKA-CQSZACIVSA-N 1 0 384.314 3.481 20 10 GGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CCN(c3cnn(C)c3)C2)c1O ZINC000372418122 565236324 /nfs/dbraw/zinc/23/63/24/565236324.db2.gz SDIAWYKGWNARIZ-TZMCWYRMSA-N 1 0 379.302 3.126 20 10 GGCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCCc3c2cnn3CCO)c1O ZINC000372505467 565241493 /nfs/dbraw/zinc/24/14/93/565241493.db2.gz RCMLGMLVCSSEMD-BLLLJJGKSA-N 1 0 394.313 3.380 20 10 GGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CCCc3c2cnn3CCO)c1O ZINC000372505478 565242105 /nfs/dbraw/zinc/24/21/05/565242105.db2.gz RCMLGMLVCSSEMD-WBMJQRKESA-N 1 0 394.313 3.380 20 10 GGCDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@@H](c3nccn3C)C2)c1O ZINC000373229500 565275285 /nfs/dbraw/zinc/27/52/85/565275285.db2.gz OLGRTWYGRPOKJA-GFCCVEGCSA-N 1 0 380.286 3.276 20 10 GGCDRO C[C@H]([NH2+]C1CCC(CS(C)(=O)=O)CC1)c1cc(Br)ccc1O ZINC000296247933 565309182 /nfs/dbraw/zinc/30/91/82/565309182.db2.gz BBYZPMASOKKDAQ-DCBWTQNWSA-N 1 0 390.343 3.409 20 10 GGCDRO CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000374076596 565318422 /nfs/dbraw/zinc/31/84/22/565318422.db2.gz FGRBSQPIYZNVKV-JKSUJKDBSA-N 1 0 396.329 3.313 20 10 GGCDRO CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000374076593 565318476 /nfs/dbraw/zinc/31/84/76/565318476.db2.gz FGRBSQPIYZNVKV-CVEARBPZSA-N 1 0 396.329 3.313 20 10 GGCDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)nc1)c1cc(Br)ccc1O ZINC000273377026 565318504 /nfs/dbraw/zinc/31/85/04/565318504.db2.gz HLDLQDGYFTVAHF-ZDUSSCGKSA-N 1 0 392.297 3.237 20 10 GGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)nc1)c1cc(Br)ccc1O ZINC000273377025 565319050 /nfs/dbraw/zinc/31/90/50/565319050.db2.gz HLDLQDGYFTVAHF-CYBMUJFWSA-N 1 0 392.297 3.237 20 10 GGCDRO COc1cc(C[NH2+][C@H](C)c2ccc(Br)cc2O)ccc1OCCO ZINC000273395031 565319144 /nfs/dbraw/zinc/31/91/44/565319144.db2.gz LTUZTINKGGRTOQ-GFCCVEGCSA-N 1 0 396.281 3.385 20 10 GGCDRO COc1cc(C[NH2+][C@@H](C)c2cc(Br)ccc2O)ccc1OCCO ZINC000273432168 565320309 /nfs/dbraw/zinc/32/03/09/565320309.db2.gz VWMWNYXKTPOKAO-LBPRGKRZSA-N 1 0 396.281 3.385 20 10 GGCDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)nc1)c1ccc(Br)cc1O ZINC000273437461 565321402 /nfs/dbraw/zinc/32/14/02/565321402.db2.gz XJXMKLJZUUTDPS-ZDUSSCGKSA-N 1 0 392.297 3.237 20 10 GGCDRO C[C@H]([NH2+]CC1(N2CCCC2)CCOCC1)c1cc(Br)ccc1O ZINC000273608735 565327297 /nfs/dbraw/zinc/32/72/97/565327297.db2.gz VCSZVRFVMRPCHM-AWEZNQCLSA-N 1 0 383.330 3.450 20 10 GGCDRO COCCOCCOCCC[NH2+][C@H](C)c1cc(Br)cc(C)c1O ZINC000275396109 565408522 /nfs/dbraw/zinc/40/85/22/565408522.db2.gz ZHTPQIVQSDIFPN-CQSZACIVSA-N 1 0 390.318 3.183 20 10 GGCDRO C[C@@H](O)c1ncc(C[NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)s1 ZINC000377616139 565489948 /nfs/dbraw/zinc/48/99/48/565489948.db2.gz OOWKCRJGXCAANX-IUODEOHRSA-N 1 0 381.929 3.310 20 10 GGCDRO O=C(CCc1cscn1)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000378176617 565515003 /nfs/dbraw/zinc/51/50/03/565515003.db2.gz YZSCXBCFZUMZBB-HNNXBMFYSA-N 1 0 379.913 3.216 20 10 GGCDRO Cc1cc(Br)cc(C[N@H+]2CCC[C@H]2C[C@H](O)c2cnn(C)c2)c1O ZINC000378440228 565527414 /nfs/dbraw/zinc/52/74/14/565527414.db2.gz AMCLPIROGLCEET-IRXDYDNUSA-N 1 0 394.313 3.285 20 10 GGCDRO CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000173965404 565603369 /nfs/dbraw/zinc/60/33/69/565603369.db2.gz PQAMLGMBJVLZOJ-CYBMUJFWSA-N 1 0 396.329 3.171 20 10 GGCDRO CC[C@@H]([NH2+][C@H]1CCCc2c1cnn2CCO)c1cc(Br)ccc1O ZINC000324375939 565617996 /nfs/dbraw/zinc/61/79/96/565617996.db2.gz MBEBKNWESCUHAH-CVEARBPZSA-N 1 0 394.313 3.462 20 10 GGCDRO COC(=O)C[C@@](C)([NH2+]Cc1cc(Br)cc(C)c1O)c1ccncc1 ZINC000191904393 565641686 /nfs/dbraw/zinc/64/16/86/565641686.db2.gz IFIWVTQNWMRYQI-GOSISDBHSA-N 1 0 393.281 3.426 20 10 GGCDRO CCN(Cc1cc(Br)ccc1O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000174713538 565653691 /nfs/dbraw/zinc/65/36/91/565653691.db2.gz UAFOKHIAFTYKTD-UHFFFAOYSA-N 1 0 398.345 3.418 20 10 GGCDRO CCS(=O)(=O)c1ccc(C[NH2+]Cc2cc(Br)ccc2O)s1 ZINC000280557450 565680441 /nfs/dbraw/zinc/68/04/41/565680441.db2.gz KOXGIUFYJJTDOD-UHFFFAOYSA-N 1 0 390.324 3.300 20 10 GGCDRO CCN(Cc1cc(Br)ccc1O)C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000236915755 565946169 /nfs/dbraw/zinc/94/61/69/565946169.db2.gz QJJKHPQQKVNSCT-SFESLNEESA-N 1 0 381.314 3.424 20 10 GGCDRO CC[C@H]([NH2+]C[C@H]1CCCS(=O)(=O)C1)c1cc(Br)ccc1O ZINC000286911016 565986195 /nfs/dbraw/zinc/98/61/95/565986195.db2.gz FBEPWTSCCOQLKS-RISCZKNCSA-N 1 0 376.316 3.020 20 10 GGCDRO O=C(Nc1ccc(Br)cn1)C1CC[NH+](Cc2ccccc2O)CC1 ZINC000179559896 565989321 /nfs/dbraw/zinc/98/93/21/565989321.db2.gz QHQOVBVASAOSPT-UHFFFAOYSA-N 1 0 390.281 3.400 20 10 GGCDRO C[C@H]([NH2+][C@H]1CCCc2c1cnn2CCO)c1cc(Br)ccc1O ZINC000363862968 566024903 /nfs/dbraw/zinc/02/49/03/566024903.db2.gz ZUCSGWJBPBIWNO-NHYWBVRUSA-N 1 0 380.286 3.072 20 10 GGCDRO Cc1cc(Br)cc(C[N@H+]2CCC[C@@H]([C@H](O)c3nccn3C)C2)c1O ZINC000180727641 566084143 /nfs/dbraw/zinc/08/41/43/566084143.db2.gz UQUDHIQXWVNEAW-DYVFJYSZSA-N 1 0 394.313 3.142 20 10 GGCDRO Cc1cc(Br)cc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)c1O ZINC000289786770 566140416 /nfs/dbraw/zinc/14/04/16/566140416.db2.gz RVTNLIRZZVBBSI-WCQYABFASA-N 1 0 382.220 3.456 20 10 GGCDRO Cc1cc(Br)cc(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1O ZINC000367752436 566214404 /nfs/dbraw/zinc/21/44/04/566214404.db2.gz GQLQAJZONUSSGY-GVDBMIGSSA-N 1 0 383.330 3.147 20 10 GGCDRO CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+]Cc1c(O)cccc1Cl ZINC000264938865 566228499 /nfs/dbraw/zinc/22/84/99/566228499.db2.gz FDIURVZNZOJMMP-UHFFFAOYSA-N 1 0 382.913 3.163 20 10 GGCDRO Cc1cc(Br)cc(C[NH+]2CCC([C@@H](O)c3ncc[nH]3)CC2)c1O ZINC000369140236 566249931 /nfs/dbraw/zinc/24/99/31/566249931.db2.gz PYJWICHDEBLKDF-MRXNPFEDSA-N 1 0 380.286 3.132 20 10 GGCDRO Cc1cc(C(=O)CSc2nc(N)cc(N)[nH+]2)c(C)n1-c1ccc(C)c(F)c1 ZINC000006510319 570462305 /nfs/dbraw/zinc/46/23/05/570462305.db2.gz WCTFTNZSDINLGN-UHFFFAOYSA-N 1 0 385.468 3.471 20 10 GGCDRO COc1ccc(N2CC[NH+](CCC(=O)NCc3ccccc3Cl)CC2)cc1 ZINC000032870736 570864476 /nfs/dbraw/zinc/86/44/76/570864476.db2.gz CHDMQLVFGZJRBZ-UHFFFAOYSA-N 1 0 387.911 3.177 20 10 GGCDRO C[C@@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1)c1ccc(N2CCOCC2)cc1Cl ZINC000820432004 606996456 /nfs/dbraw/zinc/99/64/56/606996456.db2.gz JXSYHWURBMNHHR-CQSZACIVSA-N 1 0 398.898 3.208 20 10 GGCDRO COc1ccc(N2CCC([NH2+][C@H](C)c3cccc(-c4nn[nH]n4)c3)CC2)cc1 ZINC000821831501 607087447 /nfs/dbraw/zinc/08/74/47/607087447.db2.gz BDZDQZDUEAGDIR-OAHLLOKOSA-N 1 0 378.480 3.195 20 10 GGCDRO CN(C)c1ccc(C[NH+]2CCC(Oc3cccc(-c4nn[nH]n4)c3)CC2)cc1F ZINC000825879305 608603074 /nfs/dbraw/zinc/60/30/74/608603074.db2.gz KQJHXKDXZBLALN-UHFFFAOYSA-N 1 0 396.470 3.115 20 10 GGCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](CC)[C@H](C)c1ccc(F)cc1)cc2=O ZINC000053088942 1406286702 /nfs/dbraw/zinc/28/67/02/1406286702.db2.gz IMBRFSHRSQUOSK-CYBMUJFWSA-N 1 0 386.427 3.334 20 10 GGCDRO COc1ccc(N2CCC[N@H+](Cc3cc(=O)n4cc(Cl)ccc4n3)CC2)cc1 ZINC000053773837 1406507084 /nfs/dbraw/zinc/50/70/84/1406507084.db2.gz BWLOOCSWICSJAF-UHFFFAOYSA-N 1 0 398.894 3.069 20 10 GGCDRO COc1ccc(N2CCC[N@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000053774300 1406507995 /nfs/dbraw/zinc/50/79/95/1406507995.db2.gz GCMLKGLBMFWNIK-UHFFFAOYSA-N 1 0 398.463 3.144 20 10 GGCDRO O=C(c1cc(F)ccc1F)C1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000054518487 1406761372 /nfs/dbraw/zinc/76/13/72/1406761372.db2.gz SVXOWGBNJRCGIS-UHFFFAOYSA-N 1 0 375.371 3.494 20 10 GGCDRO COc1ccc(N2CC[NH+](C[C@H](O)COCc3ccccc3Cl)CC2)cc1 ZINC000054771873 1406821583 /nfs/dbraw/zinc/82/15/83/1406821583.db2.gz YLGUVKUMANGROV-IBGZPJMESA-N 1 0 390.911 3.048 20 10 GGCDRO COc1ccc(N2CC[NH+](C[C@@H](O)COCc3ccccc3Cl)CC2)cc1 ZINC000054771874 1406821611 /nfs/dbraw/zinc/82/16/11/1406821611.db2.gz YLGUVKUMANGROV-LJQANCHMSA-N 1 0 390.911 3.048 20 10 GGCDRO COc1ccc(N2CCN(C(=O)C[N@H+](C)[C@@H]3CCCc4ccccc43)CC2)cc1 ZINC000007274890 1398645212 /nfs/dbraw/zinc/64/52/12/1398645212.db2.gz WJPWVDSTUKRRTC-HSZRJFAPSA-N 1 0 393.531 3.353 20 10 GGCDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3cc(C)cc(C)c3)CC2)cc1 ZINC000011853417 1399016078 /nfs/dbraw/zinc/01/60/78/1399016078.db2.gz XLUWICZCEHHICX-UHFFFAOYSA-N 1 0 381.520 3.254 20 10 GGCDRO C[C@H](C(=O)N1c2ccccc2C[C@H]1C)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000015571724 1399172739 /nfs/dbraw/zinc/17/27/39/1399172739.db2.gz HPKOHLRKQBULET-RTBURBONSA-N 1 0 393.531 3.321 20 10 GGCDRO C[C@H](c1ccccc1)N(C)C(=O)C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000015571778 1399172773 /nfs/dbraw/zinc/17/27/73/1399172773.db2.gz FGXVLFRRYZLPTA-LJQANCHMSA-N 1 0 381.520 3.175 20 10 GGCDRO C[C@@H](C(=O)N1CCCc2ccccc21)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000016386897 1399236647 /nfs/dbraw/zinc/23/66/47/1399236647.db2.gz IAGNERABNQEHHX-IBGZPJMESA-N 1 0 393.531 3.323 20 10 GGCDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3cc(C)sc3C)CC2)cc1 ZINC000024088952 1399602279 /nfs/dbraw/zinc/60/22/79/1399602279.db2.gz NLWWEIFPFPNMFB-UHFFFAOYSA-N 1 0 387.549 3.316 20 10 GGCDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)cc1 ZINC000029826803 1400358877 /nfs/dbraw/zinc/35/88/77/1400358877.db2.gz FUXSAOHFDUGRJK-GOSISDBHSA-N 1 0 392.503 3.390 20 10 GGCDRO O=C(Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)c1ccc2c(c1)CCO2 ZINC000056479425 1407344355 /nfs/dbraw/zinc/34/43/55/1407344355.db2.gz FSTOEVLBWKSHCB-UHFFFAOYSA-N 1 0 377.488 3.406 20 10 GGCDRO O=C(Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)c1ccccc1[N+](=O)[O-] ZINC000056479232 1407344500 /nfs/dbraw/zinc/34/45/00/1407344500.db2.gz AUTKGEGRVKMSOA-UHFFFAOYSA-N 1 0 380.448 3.379 20 10 GGCDRO C[S@](=O)c1ccc(C(=O)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)cc1 ZINC000056479304 1407344687 /nfs/dbraw/zinc/34/46/87/1407344687.db2.gz RMJWJTZFJFFBRG-MUUNZHRXSA-N 1 0 397.544 3.208 20 10 GGCDRO COc1ccc(N2CC[NH+](CCCNC(=O)N[C@@H]3CCCC[C@@H]3C)CC2)cc1 ZINC000043047802 1403696634 /nfs/dbraw/zinc/69/66/34/1403696634.db2.gz PVBNMGYYCXOKPC-GHTZIAJQSA-N 1 0 388.556 3.085 20 10 GGCDRO CC[C@H]1CCCN(C(=O)NCCC[NH+]2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000045126673 1404059084 /nfs/dbraw/zinc/05/90/84/1404059084.db2.gz FEGFQRUUVKOMOB-IBGZPJMESA-N 1 0 388.556 3.039 20 10 GGCDRO C[NH+](C)CCOc1ccc(CNC(=O)NCc2ccc(N3CCCC3)cc2)cc1 ZINC000045794182 1404206796 /nfs/dbraw/zinc/20/67/96/1404206796.db2.gz FUGPZXKWSRTZOP-UHFFFAOYSA-N 1 0 396.535 3.227 20 10 GGCDRO CN(C)c1ccc(CN(C)C(=O)NCc2cccc(OCC[NH+](C)C)c2)cc1 ZINC000045815202 1404213348 /nfs/dbraw/zinc/21/33/48/1404213348.db2.gz XZYKAVXRNDDLOA-UHFFFAOYSA-N 1 0 384.524 3.035 20 10 GGCDRO CN(C)c1ccc(CNC(=O)C[N@H+](C)C[C@H]2CCCO[C@@H]2c2ccccc2)cc1 ZINC000051133035 1405729057 /nfs/dbraw/zinc/72/90/57/1405729057.db2.gz XPYAMZRMMVWMEU-ZJSXRUAMSA-N 1 0 395.547 3.469 20 10 GGCDRO CCOCc1cc(C[NH2+]CCS(=O)(=O)c2ccc(Cl)cc2)ccc1OC ZINC000051188543 1405741243 /nfs/dbraw/zinc/74/12/43/1405741243.db2.gz MHNKDXBDHDHKDN-UHFFFAOYSA-N 1 0 397.924 3.449 20 10 GGCDRO CCCCC[N@H+](CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C(C)C ZINC000051709219 1405853531 /nfs/dbraw/zinc/85/35/31/1405853531.db2.gz IFIFELLCVWVSRS-UHFFFAOYSA-N 1 0 379.520 3.179 20 10 GGCDRO O=C(c1cccc(Cl)c1)N1CCC[N@@H+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000057104691 1407520887 /nfs/dbraw/zinc/52/08/87/1407520887.db2.gz USYCNCLHTYGWPU-UHFFFAOYSA-N 1 0 388.851 3.122 20 10 GGCDRO CN1CCCc2cc(C[NH2+]Cc3ccccc3OCC(=O)N3CCCC3)ccc21 ZINC000058477260 1407834950 /nfs/dbraw/zinc/83/49/50/1407834950.db2.gz BLYHUCUGEBIBCH-UHFFFAOYSA-N 1 0 393.531 3.360 20 10 GGCDRO COc1ccc(-n2c(C)cc(C(=O)N3CCN(c4cc[nH+]cc4)CC3)c2C)cc1 ZINC000061210522 1408091794 /nfs/dbraw/zinc/09/17/94/1408091794.db2.gz BYYYLLLLHJNFLL-UHFFFAOYSA-N 1 0 390.487 3.460 20 10 GGCDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000176418643 1428312792 /nfs/dbraw/zinc/31/27/92/1428312792.db2.gz CMHZXYBHPVANRX-UXHICEINSA-N 1 0 388.581 3.008 20 10 GGCDRO C[NH+]1CCC(N2C(=O)/C(=C/c3ccc(Br)o3)SC2=S)CC1 ZINC000063824253 1408421362 /nfs/dbraw/zinc/42/13/62/1408421362.db2.gz RUGLPDHJOVTPAD-FLIBITNWSA-N 1 0 387.324 3.338 20 10 GGCDRO C[C@H](NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)c1ccc(N2CCOCC2)cc1 ZINC000065435086 1408668883 /nfs/dbraw/zinc/66/88/83/1408668883.db2.gz VXHRPKFHRWYDAC-INIZCTEOSA-N 1 0 388.556 3.193 20 10 GGCDRO C[C@H](CNC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)C[NH+]1CCCCC1 ZINC000065698344 1408713880 /nfs/dbraw/zinc/71/38/80/1408713880.db2.gz SFANNNMIFRZEJW-RTBURBONSA-N 1 0 388.556 3.005 20 10 GGCDRO C[C@@H](NC(=O)NCC(C)(C)[NH+]1CCCCC1)c1ccc(N2CCOCC2)cc1 ZINC000065698246 1408714039 /nfs/dbraw/zinc/71/40/39/1408714039.db2.gz OTWBDUXXCOOUKD-GOSISDBHSA-N 1 0 388.556 3.148 20 10 GGCDRO CN(C)c1ccc(CNC(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)cc1 ZINC000065984306 1408767291 /nfs/dbraw/zinc/76/72/91/1408767291.db2.gz NLIVLBMVHQPHDA-UHFFFAOYSA-N 1 0 390.478 3.304 20 10 GGCDRO C[N@H+](CCCOc1ccc2c(c1)OCO2)Cc1ccc(N2CCOCC2)cc1 ZINC000066960532 1408963958 /nfs/dbraw/zinc/96/39/58/1408963958.db2.gz MOKHJCBTUDBPSP-UHFFFAOYSA-N 1 0 384.476 3.153 20 10 GGCDRO O=C(Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)c1ccc2[nH]cnc2c1 ZINC000067147714 1409021767 /nfs/dbraw/zinc/02/17/67/1409021767.db2.gz NVSXHBQQCUHMLH-UHFFFAOYSA-N 1 0 375.476 3.347 20 10 GGCDRO CC[NH+]1CCN(CCNC(=O)c2cc(C)n(-c3cc(C)cc(C)c3)c2C)CC1 ZINC000176660188 1428394503 /nfs/dbraw/zinc/39/45/03/1428394503.db2.gz DYMLKBWONARVNW-UHFFFAOYSA-N 1 0 382.552 3.078 20 10 GGCDRO C[C@@H](CNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000068549727 1409436016 /nfs/dbraw/zinc/43/60/16/1409436016.db2.gz YEKVRRFZBYKPLD-QYZOEREBSA-N 1 0 388.556 3.004 20 10 GGCDRO C[C@@H](CNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)[N@@H+]1CCCC[C@@H]1C ZINC000068549725 1409436156 /nfs/dbraw/zinc/43/61/56/1409436156.db2.gz HUEOZVFBWWNHJD-FHWLQOOXSA-N 1 0 388.556 3.146 20 10 GGCDRO CCC[N@H+](CC(=O)Nc1ccccc1C(=O)NC(C)C)Cc1ccccc1O ZINC000068973665 1409535838 /nfs/dbraw/zinc/53/58/38/1409535838.db2.gz OBNXEUPTGOCJEK-UHFFFAOYSA-N 1 0 383.492 3.381 20 10 GGCDRO CCC[N@H+](CC(=O)NC[C@@H]1CCN(c2ccccc2)C1)Cc1ccccc1O ZINC000068973620 1409535866 /nfs/dbraw/zinc/53/58/66/1409535866.db2.gz VPAVABQSHFLHKZ-IBGZPJMESA-N 1 0 381.520 3.247 20 10 GGCDRO CCC[N@H+](CC(=O)NC[C@H]1CCN(c2ccccc2)C1)Cc1ccccc1O ZINC000068973621 1409536335 /nfs/dbraw/zinc/53/63/35/1409536335.db2.gz VPAVABQSHFLHKZ-LJQANCHMSA-N 1 0 381.520 3.247 20 10 GGCDRO c1ccc(CCN2CCC([NH2+]Cc3ccc(N4CCOCC4)cc3)CC2)cc1 ZINC000069679008 1409673396 /nfs/dbraw/zinc/67/33/96/1409673396.db2.gz VQYOWXCLGGVLQC-UHFFFAOYSA-N 1 0 379.548 3.320 20 10 GGCDRO Cc1ccc(C)n1-c1ccc(C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000069746050 1409689678 /nfs/dbraw/zinc/68/96/78/1409689678.db2.gz QQGWSNHZLGDWTG-FQEVSTJZSA-N 1 0 381.520 3.279 20 10 GGCDRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+]Cc2ccc(N(C)C)cc2)cc1 ZINC000072727305 1409852929 /nfs/dbraw/zinc/85/29/29/1409852929.db2.gz OYBHUTDIBMIMBT-UHFFFAOYSA-N 1 0 375.538 3.073 20 10 GGCDRO CCN(CC)c1ccc(C[NH2+]Cc2ccc(S(=O)(=O)N(C)C)cc2)cc1 ZINC000078483707 1409918783 /nfs/dbraw/zinc/91/87/83/1409918783.db2.gz OEQPFAPCALVOTP-UHFFFAOYSA-N 1 0 375.538 3.073 20 10 GGCDRO CC(=O)c1cc(F)cc(C[NH+]2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)c1O ZINC000079399690 1409974392 /nfs/dbraw/zinc/97/43/92/1409974392.db2.gz GPENDVLYWDMRDI-CQSZACIVSA-N 1 0 376.472 3.204 20 10 GGCDRO CC(C)(C)c1cc(C[NH2+]CC2(C(N)=O)CCOCC2)c(O)c(C(C)(C)C)c1 ZINC000086250796 1410044126 /nfs/dbraw/zinc/04/41/26/1410044126.db2.gz IIZRMPKVOGWFBQ-UHFFFAOYSA-N 1 0 376.541 3.359 20 10 GGCDRO Cc1ccc(NC(=O)C2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)nc1 ZINC000091687475 1410076602 /nfs/dbraw/zinc/07/66/02/1410076602.db2.gz YCZBCYHZVBFECH-UHFFFAOYSA-N 1 0 394.519 3.077 20 10 GGCDRO CCOc1cc(C[N@H+](C)Cc2ccccc2O)ccc1O[C@H](C)C(=O)N(C)C ZINC000091956628 1410095059 /nfs/dbraw/zinc/09/50/59/1410095059.db2.gz OSGDIJOQGSEVLM-MRXNPFEDSA-N 1 0 386.492 3.278 20 10 GGCDRO C[N@H+](Cc1ccc(OCCN2CCOCC2)c(Cl)c1)Cc1ccccc1O ZINC000091974558 1410096140 /nfs/dbraw/zinc/09/61/40/1410096140.db2.gz CQBIWFVLZDAKHL-UHFFFAOYSA-N 1 0 390.911 3.389 20 10 GGCDRO COc1cccc(C[N@H+](C)C[C@@H](O)COc2ccccc2C(F)(F)F)c1O ZINC000092195797 1410119793 /nfs/dbraw/zinc/11/97/93/1410119793.db2.gz UCBPJUVRXVDDJX-CQSZACIVSA-N 1 0 385.382 3.291 20 10 GGCDRO COc1ccc(N2CCC[N@H+](Cc3ccc(OC)c(OC)c3OC)CC2)cc1 ZINC000092380673 1410148576 /nfs/dbraw/zinc/14/85/76/1410148576.db2.gz UVEFXVRTEXUYAO-UHFFFAOYSA-N 1 0 386.492 3.433 20 10 GGCDRO COC(=O)[C@H](C)Oc1ccc(C[N@@H+]2CCCN(c3ccc(OC)cc3)CC2)cc1 ZINC000092380847 1410148724 /nfs/dbraw/zinc/14/87/24/1410148724.db2.gz GVLYHKDPCOOOIT-SFHVURJKSA-N 1 0 398.503 3.348 20 10 GGCDRO CCOc1ccc(O)c(C[N@@H+]2CCCN(C(=O)Cc3cccc(F)c3)CC2)c1 ZINC000092535310 1410168634 /nfs/dbraw/zinc/16/86/34/1410168634.db2.gz LQQYKRZLNRSQIA-UHFFFAOYSA-N 1 0 386.467 3.207 20 10 GGCDRO CCCOc1ccc(C[N@H+](C)[C@H](C)c2cccc(S(N)(=O)=O)c2)c(O)c1 ZINC000092585701 1410175498 /nfs/dbraw/zinc/17/54/98/1410175498.db2.gz KWLUBTAEEUIOAV-CQSZACIVSA-N 1 0 378.494 3.021 20 10 GGCDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(Cc2cc(Br)ccc2O)CC1 ZINC000092664328 1410183942 /nfs/dbraw/zinc/18/39/42/1410183942.db2.gz OAYMHXUMRXBVNQ-IYBDPMFKSA-N 1 0 396.373 3.145 20 10 GGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)cc1 ZINC000092668652 1410187569 /nfs/dbraw/zinc/18/75/69/1410187569.db2.gz AZTAZGCLFIALCN-QFIPXVFZSA-N 1 0 393.579 3.182 20 10 GGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)cc1 ZINC000092668650 1410187771 /nfs/dbraw/zinc/18/77/71/1410187771.db2.gz AZTAZGCLFIALCN-JOCHJYFZSA-N 1 0 393.579 3.182 20 10 GGCDRO Cc1ccc(C(=O)NC2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)s1 ZINC000092673842 1410189141 /nfs/dbraw/zinc/18/91/41/1410189141.db2.gz LDMGRUUWZOOXQN-UHFFFAOYSA-N 1 0 399.560 3.288 20 10 GGCDRO O=C(Nc1ccc(F)cc1)N[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000092704631 1410189921 /nfs/dbraw/zinc/18/99/21/1410189921.db2.gz FLJORKRMRBXRGO-FQEVSTJZSA-N 1 0 398.482 3.058 20 10 GGCDRO COc1ccc(CCC(=O)N2CCC[N@H+](Cc3cc(C)ccc3O)CC2)cc1 ZINC000092709948 1410193088 /nfs/dbraw/zinc/19/30/88/1410193088.db2.gz PGNLZUJMFJNFQO-UHFFFAOYSA-N 1 0 382.504 3.376 20 10 GGCDRO CC(=O)Nc1ccc(OC[C@H](O)C[N@H+](Cc2cc(C)ccc2O)C(C)C)cc1 ZINC000093149120 1410226791 /nfs/dbraw/zinc/22/67/91/1410226791.db2.gz PQAOBXIXBMDPAG-HXUWFJFHSA-N 1 0 386.492 3.309 20 10 GGCDRO CCOc1ccc(O)c(C[N@H+](CCO)Cc2cnn(Cc3ccccc3)c2)c1 ZINC000093359103 1410237876 /nfs/dbraw/zinc/23/78/76/1410237876.db2.gz MQDKDKWSFXHEMI-UHFFFAOYSA-N 1 0 381.476 3.030 20 10 GGCDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3cc(Br)ccc3O)C2)nc1 ZINC000093534202 1410250768 /nfs/dbraw/zinc/25/07/68/1410250768.db2.gz GOEYUVYNBXDTCU-CYBMUJFWSA-N 1 0 393.241 3.144 20 10 GGCDRO C[N@H+](CCCNC(=O)OC(C)(C)C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000093538476 1410251704 /nfs/dbraw/zinc/25/17/04/1410251704.db2.gz DTARRSAIRCCUSR-UHFFFAOYSA-N 1 0 381.492 3.009 20 10 GGCDRO Cc1nsc(N2CCC[N@H+](Cc3cc(Br)ccc3O)CC2)n1 ZINC000093716597 1410260954 /nfs/dbraw/zinc/26/09/54/1410260954.db2.gz WHYKVWLMULCATP-UHFFFAOYSA-N 1 0 383.315 3.027 20 10 GGCDRO COc1cc(CN2CC[NH+](Cc3ccc(N(C)C)cc3)CC2)cc(OC)c1OC ZINC000093760463 1410264312 /nfs/dbraw/zinc/26/43/12/1410264312.db2.gz CSFGOJKRXPKTTR-UHFFFAOYSA-N 1 0 399.535 3.096 20 10 GGCDRO Oc1ccccc1C[N@H+](C[C@H](O)COCc1cccs1)C[C@H]1CCCO1 ZINC000098072158 1410406476 /nfs/dbraw/zinc/40/64/76/1410406476.db2.gz GXLNZEBQNAHWHR-ZWKOTPCHSA-N 1 0 377.506 3.012 20 10 GGCDRO Cc1cc(C(=O)N2CC[NH+](C3CCOCC3)CC2)c(C)n1-c1cccc(C)c1 ZINC000176827875 1428489320 /nfs/dbraw/zinc/48/93/20/1428489320.db2.gz YNINYGPMBJCMCK-UHFFFAOYSA-N 1 0 381.520 3.339 20 10 GGCDRO CCCC[NH+]1CCC(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)CC1 ZINC000102001524 1410540795 /nfs/dbraw/zinc/54/07/95/1410540795.db2.gz ZOWRTSREAZXOTJ-GOSISDBHSA-N 1 0 388.556 3.148 20 10 GGCDRO COc1ccc(N2CCC(NC(=O)N3CCC(CC[NH+](C)C)CC3)CC2)cc1 ZINC000102577334 1410654968 /nfs/dbraw/zinc/65/49/68/1410654968.db2.gz FYGQHFHHHRZAFK-UHFFFAOYSA-N 1 0 388.556 3.037 20 10 GGCDRO CC[C@@H](C)[C@@H](C)[N@H+](CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000104967577 1411005135 /nfs/dbraw/zinc/00/51/35/1411005135.db2.gz DYUGOWUJZKJBAS-IAGOWNOFSA-N 1 0 391.531 3.178 20 10 GGCDRO CC(C)[C@@H](CNC(=O)NCc1ccc(N2CCSCC2)cc1)[NH+]1CCCC1 ZINC000105152418 1411035255 /nfs/dbraw/zinc/03/52/55/1411035255.db2.gz WHAZKUMINXNLQG-HXUWFJFHSA-N 1 0 390.597 3.159 20 10 GGCDRO COc1cccc(C[NH2+]C[C@H](c2cccc(Cl)c2)N2CCOCC2)c1O ZINC000105485846 1411071580 /nfs/dbraw/zinc/07/15/80/1411071580.db2.gz CDKYMZZCPDOADR-GOSISDBHSA-N 1 0 376.884 3.217 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)Nc3ccc(OC)cc3)cc2F)CC1 ZINC000106506617 1411226345 /nfs/dbraw/zinc/22/63/45/1411226345.db2.gz PWUUXFKHCCCJQU-UHFFFAOYSA-N 1 0 386.471 3.298 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NCc3ccc(C)s3)cc2F)CC1 ZINC000106526187 1411232786 /nfs/dbraw/zinc/23/27/86/1411232786.db2.gz NLAJEHKROIQNRS-UHFFFAOYSA-N 1 0 390.528 3.337 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N(CC(C)C)C3CC3)cc2F)CC1 ZINC000106584757 1411256697 /nfs/dbraw/zinc/25/66/97/1411256697.db2.gz CUPIYIJSHJPCSZ-UHFFFAOYSA-N 1 0 376.520 3.298 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N(C)Cc3ccsc3)cc2F)CC1 ZINC000106584889 1411258450 /nfs/dbraw/zinc/25/84/50/1411258450.db2.gz CJWJXLQNJCJWJM-UHFFFAOYSA-N 1 0 390.528 3.371 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3cc(F)ccc3F)cc2F)CC1 ZINC000106702076 1411280173 /nfs/dbraw/zinc/28/01/73/1411280173.db2.gz KELIGMGZTUDFRY-UHFFFAOYSA-N 1 0 377.410 3.176 20 10 GGCDRO CCOc1ccc(CC(=O)NCc2ccc(N3CC[NH+](CC)CC3)c(F)c2)cc1 ZINC000106702377 1411280776 /nfs/dbraw/zinc/28/07/76/1411280776.db2.gz JXBFPALZOVPKRF-UHFFFAOYSA-N 1 0 399.510 3.225 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@H](C)OCCC(C)C)cc2F)CC1 ZINC000106702586 1411281020 /nfs/dbraw/zinc/28/10/20/1411281020.db2.gz PJAISTOOUCGIQD-KRWDZBQOSA-N 1 0 379.520 3.035 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3ccc(COC)cc3)cc2F)CC1 ZINC000106702513 1411281461 /nfs/dbraw/zinc/28/14/61/1411281461.db2.gz IUUGZBLGCUGGML-UHFFFAOYSA-N 1 0 385.483 3.044 20 10 GGCDRO O=C(Nc1ccccc1)[C@@H](Cc1ccccc1)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000109350254 1411746524 /nfs/dbraw/zinc/74/65/24/1411746524.db2.gz ULBMYSLZCWLYPB-LJQANCHMSA-N 1 0 390.439 3.461 20 10 GGCDRO O=C(C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1)N1CCc2sccc2C1 ZINC000109762033 1411808320 /nfs/dbraw/zinc/80/83/20/1411808320.db2.gz KCWYWJZCPPBHNQ-SFHVURJKSA-N 1 0 386.517 3.020 20 10 GGCDRO C[C@@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+](C)Cc1ccccc1O ZINC000109770097 1411808959 /nfs/dbraw/zinc/80/89/59/1411808959.db2.gz VONJOWYTNLFRCH-HIGJEIRPSA-N 1 0 385.508 3.007 20 10 GGCDRO Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)C[N@@H+](C)Cc1ccccc1O ZINC000109772213 1411809315 /nfs/dbraw/zinc/80/93/15/1411809315.db2.gz JFUMEKBMHKAUQP-UHFFFAOYSA-N 1 0 392.503 3.002 20 10 GGCDRO C[C@@H]1CN(c2ccc(NC(=O)C[N@H+](C)Cc3ccccc3O)cc2)C[C@@H](C)O1 ZINC000109772764 1411809566 /nfs/dbraw/zinc/80/95/66/1411809566.db2.gz OQFXAVGLXNIZQX-IAGOWNOFSA-N 1 0 383.492 3.076 20 10 GGCDRO Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000110018709 1411825390 /nfs/dbraw/zinc/82/53/90/1411825390.db2.gz LVZRSRZVHCKGGJ-UHFFFAOYSA-N 1 0 382.552 3.112 20 10 GGCDRO CC[N@H+](C)[C@H](C(=O)N1CCCN(c2ccc(OC)cc2)CC1)c1ccccc1 ZINC000110965749 1411879282 /nfs/dbraw/zinc/87/92/82/1411879282.db2.gz RGOXDPPWVIVKIZ-QFIPXVFZSA-N 1 0 381.520 3.427 20 10 GGCDRO COc1ccc(NC(=O)CC[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)cc1 ZINC000111232929 1411896593 /nfs/dbraw/zinc/89/65/93/1411896593.db2.gz MMAVYAHORNFXAL-FQEVSTJZSA-N 1 0 384.476 3.411 20 10 GGCDRO CC(C)N(CC(F)(F)F)C(=O)C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000111232885 1411896615 /nfs/dbraw/zinc/89/66/15/1411896615.db2.gz HYXNKLIYCYKFHG-MRXNPFEDSA-N 1 0 388.430 3.173 20 10 GGCDRO C[N@H+](CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2)Cc1ccccc1O ZINC000111235143 1411896844 /nfs/dbraw/zinc/89/68/44/1411896844.db2.gz JRBYAXPJCTUKHM-LJQANCHMSA-N 1 0 396.487 3.349 20 10 GGCDRO CN(Cc1ccccc1Br)C(=O)CC[NH2+]Cc1ccccc1O ZINC000111391137 1411937509 /nfs/dbraw/zinc/93/75/09/1411937509.db2.gz FWXRGYUQEXRQGK-UHFFFAOYSA-N 1 0 377.282 3.293 20 10 GGCDRO COc1cccc(CNC(=O)[C@@H](C)[NH+]2CCC(Cc3ccccc3)CC2)c1O ZINC000111597772 1411999355 /nfs/dbraw/zinc/99/93/55/1411999355.db2.gz YBNXCTRWIIEWIH-QGZVFWFLSA-N 1 0 382.504 3.360 20 10 GGCDRO C[C@H]([NH2+][C@H]1CCN(c2ccccc2F)C1=O)c1ccc(N2CCOCC2)cc1 ZINC000112367000 1412136068 /nfs/dbraw/zinc/13/60/68/1412136068.db2.gz BDSNPOQOMXOQHX-JXFKEZNVSA-N 1 0 383.467 3.118 20 10 GGCDRO Cc1nc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)sc1C ZINC000112536810 1412165271 /nfs/dbraw/zinc/16/52/71/1412165271.db2.gz FASZXKSCTLHDNK-HUUCEWRRSA-N 1 0 388.537 3.274 20 10 GGCDRO Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)cc1 ZINC000112914916 1412237582 /nfs/dbraw/zinc/23/75/82/1412237582.db2.gz VSMKLMRIEWKJBN-QFIPXVFZSA-N 1 0 382.552 3.096 20 10 GGCDRO Oc1cccc(Cl)c1C[NH2+]Cc1cccc(OCCN2CCOCC2)c1 ZINC000113328868 1412293342 /nfs/dbraw/zinc/29/33/42/1412293342.db2.gz UAIJCDBGCODQGT-UHFFFAOYSA-N 1 0 376.884 3.046 20 10 GGCDRO CCS(=O)(=O)c1ccc(N2CCC([NH2+]Cc3cc(C)ccc3O)CC2)cc1 ZINC000113330827 1412293513 /nfs/dbraw/zinc/29/35/13/1412293513.db2.gz CPABPVCJFZKNRN-UHFFFAOYSA-N 1 0 388.533 3.253 20 10 GGCDRO Cc1ccc(O)c(C[NH2+]CCCNC(=O)c2cccc(Br)c2)c1 ZINC000113332134 1412293930 /nfs/dbraw/zinc/29/39/30/1412293930.db2.gz OHSJZGPUHUBNGZ-UHFFFAOYSA-N 1 0 377.282 3.373 20 10 GGCDRO CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000113335381 1412293949 /nfs/dbraw/zinc/29/39/49/1412293949.db2.gz UIJGLSQXJXAKGH-UHFFFAOYSA-N 1 0 393.528 3.009 20 10 GGCDRO COc1cccc(C[NH2+]Cc2cccc(NC(=O)NCc3ccncc3)c2)c1O ZINC000113355167 1412297170 /nfs/dbraw/zinc/29/71/70/1412297170.db2.gz MJZQQMJBUXLVGA-UHFFFAOYSA-N 1 0 392.459 3.407 20 10 GGCDRO C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)C1 ZINC000113645096 1412327899 /nfs/dbraw/zinc/32/78/99/1412327899.db2.gz JDIDHFLMWQVYLU-FTOHGRHOSA-N 1 0 379.464 3.451 20 10 GGCDRO CC(C)[NH+]1CCC(NC(=O)CN(C)Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000114562318 1412461453 /nfs/dbraw/zinc/46/14/53/1412461453.db2.gz HJTSMSFRBUJWIO-UHFFFAOYSA-N 1 0 386.584 3.098 20 10 GGCDRO CC[NH+](CC)[C@@H](CNC(=O)NCc1cc(OC)ccc1O)Cc1ccccc1 ZINC000114587133 1412468313 /nfs/dbraw/zinc/46/83/13/1412468313.db2.gz YXTYDHQHBNMFJC-LJQANCHMSA-N 1 0 385.508 3.153 20 10 GGCDRO COc1ccc(O)c(CNC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)c1 ZINC000114589913 1412468675 /nfs/dbraw/zinc/46/86/75/1412468675.db2.gz WHDHISFYIZHVCL-UHFFFAOYSA-N 1 0 387.455 3.004 20 10 GGCDRO COc1ccc(O)c(CNC(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)c1 ZINC000114592922 1412470221 /nfs/dbraw/zinc/47/02/21/1412470221.db2.gz RCJWHEIANOAZRU-HXUWFJFHSA-N 1 0 383.492 3.346 20 10 GGCDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)N(C)Cc2ccc(N(C)C)cc2)[C@H](C)C1 ZINC000115702737 1412765741 /nfs/dbraw/zinc/76/57/41/1412765741.db2.gz XSIVLIITLOPURX-NQIIRXRSSA-N 1 0 390.572 3.031 20 10 GGCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000116438539 1412860454 /nfs/dbraw/zinc/86/04/54/1412860454.db2.gz BFXDYNAKLZDGBJ-HXUWFJFHSA-N 1 0 390.572 3.031 20 10 GGCDRO COc1ccc(O)c(CNC(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)c1 ZINC000116552379 1412876044 /nfs/dbraw/zinc/87/60/44/1412876044.db2.gz WYXXDKOAHZSEHA-MRXNPFEDSA-N 1 0 383.492 3.426 20 10 GGCDRO C[NH+](C)CC[C@@H](NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)C(C)(C)C ZINC000116566164 1412878685 /nfs/dbraw/zinc/87/86/85/1412878685.db2.gz SSMGGSLNNPNHPK-AZUAARDMSA-N 1 0 391.556 3.449 20 10 GGCDRO CC(C)(C[NH2+]Cc1ccccc1O)S(=O)(=O)c1ccc(Br)cc1 ZINC000118455124 1413162816 /nfs/dbraw/zinc/16/28/16/1413162816.db2.gz YSVKHESNQQWZCA-UHFFFAOYSA-N 1 0 398.322 3.497 20 10 GGCDRO COc1ccc(N2CCN(C(=O)C[NH2+][C@H](c3ncccc3C)C(C)C)CC2)cc1 ZINC000118839075 1413242408 /nfs/dbraw/zinc/24/24/08/1413242408.db2.gz NLYZQBAOYMIIHV-QFIPXVFZSA-N 1 0 396.535 3.034 20 10 GGCDRO CC[C@@H]([NH2+]Cc1cccnc1N1CCC(C(N)=O)CC1)c1ccc(N(C)C)cc1 ZINC000119081806 1413329178 /nfs/dbraw/zinc/32/91/78/1413329178.db2.gz IOHJXAOFASGKEN-OAQYLSRUSA-N 1 0 395.551 3.090 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@H](C)c3ccsc3)cc2F)CC1 ZINC000119847872 1413592519 /nfs/dbraw/zinc/59/25/19/1413592519.db2.gz VFNSQSVRVFOVSV-OAHLLOKOSA-N 1 0 375.513 3.449 20 10 GGCDRO C[C@H]([NH2+]CCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000119881746 1413603039 /nfs/dbraw/zinc/60/30/39/1413603039.db2.gz ZEJNKZZPFICXNS-KSZLIROESA-N 1 0 395.975 3.327 20 10 GGCDRO CC(C)(C)c1cc(C[NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000119938008 1413623690 /nfs/dbraw/zinc/62/36/90/1413623690.db2.gz BRFXWSCUJAGRCA-HNNXBMFYSA-N 1 0 396.597 3.358 20 10 GGCDRO Cc1cc(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)c(C)n1-c1ccccn1 ZINC000120233982 1413743855 /nfs/dbraw/zinc/74/38/55/1413743855.db2.gz ZHWIKMLUIPDRSW-UHFFFAOYSA-N 1 0 392.503 3.360 20 10 GGCDRO CN(Cc1ccc(N2CCOCC2)cc1)[C@@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000120500227 1413831538 /nfs/dbraw/zinc/83/15/38/1413831538.db2.gz RDOGAHKOIXHTNK-JOCHJYFZSA-N 1 0 397.494 3.114 20 10 GGCDRO CN(Cc1ccc(N2CCOCC2)cc1)[C@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000120500066 1413831545 /nfs/dbraw/zinc/83/15/45/1413831545.db2.gz RDOGAHKOIXHTNK-QFIPXVFZSA-N 1 0 397.494 3.114 20 10 GGCDRO C[C@@H](C(=O)NCCC1=CCCCC1)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000120860705 1413929096 /nfs/dbraw/zinc/92/90/96/1413929096.db2.gz VWNJZGQQYZUYIA-IBGZPJMESA-N 1 0 385.552 3.350 20 10 GGCDRO Clc1cc(CC[NH2+]Cc2ccc(N3CCOCC3)cc2)cc2c1OCCO2 ZINC000120888407 1413938693 /nfs/dbraw/zinc/93/86/93/1413938693.db2.gz BEICIEDAXFKCNQ-UHFFFAOYSA-N 1 0 388.895 3.280 20 10 GGCDRO Fc1cc(CNc2ccccc2CN2CCOCC2)ccc1N1CCOCC1 ZINC000120974920 1413965038 /nfs/dbraw/zinc/96/50/38/1413965038.db2.gz CHVKUDUNIMPLOK-UHFFFAOYSA-N 1 0 385.483 3.107 20 10 GGCDRO Oc1ccccc1C[N@H+](C[C@H](O)COc1ccccc1Cl)C[C@@H]1CCCO1 ZINC000121040002 1413986254 /nfs/dbraw/zinc/98/62/54/1413986254.db2.gz WELFVBWUVZBTKD-ROUUACIJSA-N 1 0 391.895 3.467 20 10 GGCDRO Oc1ccccc1C[N@H+](C[C@H](O)COc1ccccc1Cl)C[C@H]1CCCO1 ZINC000121040179 1413986505 /nfs/dbraw/zinc/98/65/05/1413986505.db2.gz WELFVBWUVZBTKD-ZWKOTPCHSA-N 1 0 391.895 3.467 20 10 GGCDRO C[C@@H](NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)C(C)(C)C[NH+](C)C ZINC000121188442 1414038255 /nfs/dbraw/zinc/03/82/55/1414038255.db2.gz WUDCSMMRTSHSIQ-AEFFLSMTSA-N 1 0 377.529 3.059 20 10 GGCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCCCC[C@H]1c1ccco1)cc2=O ZINC000121263258 1414063833 /nfs/dbraw/zinc/06/38/33/1414063833.db2.gz ZVAQVVJHCUBAPJ-INIZCTEOSA-N 1 0 384.436 3.322 20 10 GGCDRO COc1cc(Br)cc(C[NH2+]C(C)(C)C(=O)NCC(C)(C)C)c1O ZINC000121312376 1414080145 /nfs/dbraw/zinc/08/01/45/1414080145.db2.gz HJDBCHZBPHOJJR-UHFFFAOYSA-N 1 0 387.318 3.194 20 10 GGCDRO CCOC(=O)COc1ccc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000121318222 1414081990 /nfs/dbraw/zinc/08/19/90/1414081990.db2.gz ZGIDXXYGDGNHOD-UHFFFAOYSA-N 1 0 398.503 3.097 20 10 GGCDRO O=C(NCCCSc1nccs1)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000177549974 1428790043 /nfs/dbraw/zinc/79/00/43/1428790043.db2.gz VFJGDHXRYDIHSK-CQSZACIVSA-N 1 0 380.539 3.355 20 10 GGCDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)c3cccc(C[S@@](C)=O)c3)c2)CC1 ZINC000122306188 1414419396 /nfs/dbraw/zinc/41/93/96/1414419396.db2.gz DGDNGOZPCNRVRT-NDEPHWFRSA-N 1 0 399.560 3.348 20 10 GGCDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)c3cccc(-n4ccnn4)c3)c2)CC1 ZINC000122330072 1414425928 /nfs/dbraw/zinc/42/59/28/1414425928.db2.gz GSBFXAJVPIOMBV-UHFFFAOYSA-N 1 0 390.491 3.050 20 10 GGCDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)c3ccc4c(c3)OCCO4)c2)CC1 ZINC000122392073 1414444619 /nfs/dbraw/zinc/44/46/19/1414444619.db2.gz FZPZYWHVBRNGDK-UHFFFAOYSA-N 1 0 381.476 3.241 20 10 GGCDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)c3ccc(C(N)=S)cc3)c2)CC1 ZINC000122403006 1414447923 /nfs/dbraw/zinc/44/79/23/1414447923.db2.gz USXROZOOZFHMNA-UHFFFAOYSA-N 1 0 382.533 3.104 20 10 GGCDRO O=C(NCc1ccc(N2CCSCC2)cc1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000122470789 1414472457 /nfs/dbraw/zinc/47/24/57/1414472457.db2.gz HJIWQRCGZBRILY-FQEVSTJZSA-N 1 0 388.581 3.010 20 10 GGCDRO CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000122577497 1414505955 /nfs/dbraw/zinc/50/59/55/1414505955.db2.gz UOTVPYNQSXSIGH-JOCHJYFZSA-N 1 0 397.519 3.381 20 10 GGCDRO C[C@@H](C(=O)NCCc1ccc(O)c(O)c1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000122746760 1414555319 /nfs/dbraw/zinc/55/53/19/1414555319.db2.gz JIIHVJQEKCFQBN-KRWDZBQOSA-N 1 0 382.504 3.100 20 10 GGCDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+](Cc2ccco2)Cc2ccccc2O)c1 ZINC000122822978 1414573963 /nfs/dbraw/zinc/57/39/63/1414573963.db2.gz DSYZVZKLGVUEPZ-SFHVURJKSA-N 1 0 398.415 3.336 20 10 GGCDRO N#Cc1ccc(OC[C@@H](O)C[N@H+](Cc2ccco2)Cc2ccccc2O)cc1 ZINC000122822452 1414574005 /nfs/dbraw/zinc/57/40/05/1414574005.db2.gz DAWGKNNNHPLBJB-IBGZPJMESA-N 1 0 378.428 3.299 20 10 GGCDRO COc1ccc(N2CCC([NH2+][C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)cc1 ZINC000123156775 1414655884 /nfs/dbraw/zinc/65/58/84/1414655884.db2.gz BRHGKFNNHGGLKC-KRWDZBQOSA-N 1 0 375.513 3.263 20 10 GGCDRO COc1ccc(CN(C)C(=O)C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)cc1 ZINC000123492429 1414750955 /nfs/dbraw/zinc/75/09/55/1414750955.db2.gz SBZXPDZWQVRYPY-NRFANRHFSA-N 1 0 398.503 3.040 20 10 GGCDRO CN(Cc1ccc(F)cc1)C(=O)C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000123497417 1414753143 /nfs/dbraw/zinc/75/31/43/1414753143.db2.gz LZUVHHVHNKAHAF-FQEVSTJZSA-N 1 0 386.467 3.171 20 10 GGCDRO COc1ccc(N2CCC(NC(=O)N(CC[NH+](C)C)C3CCCC3)CC2)cc1 ZINC000123954767 1414857243 /nfs/dbraw/zinc/85/72/43/1414857243.db2.gz XDCHBXFZBVLGCX-UHFFFAOYSA-N 1 0 388.556 3.180 20 10 GGCDRO CCOc1ccc(O)c(C[NH2+]CCCC(=O)N2CCN(c3ccccc3)CC2)c1 ZINC000124137611 1414892951 /nfs/dbraw/zinc/89/29/51/1414892951.db2.gz PFDOVLJIFVKWTL-UHFFFAOYSA-N 1 0 397.519 3.010 20 10 GGCDRO O=C(CCC[NH2+]Cc1c(O)cccc1Cl)N1CCN(c2ccccc2)CC1 ZINC000124144971 1414895043 /nfs/dbraw/zinc/89/50/43/1414895043.db2.gz OLRIYRVAZVVAPD-UHFFFAOYSA-N 1 0 387.911 3.264 20 10 GGCDRO COc1ccc(N2CCC[N@H+](C[C@H](O)COc3cccc4[nH]ccc43)CC2)cc1 ZINC000177739844 1428847059 /nfs/dbraw/zinc/84/70/59/1428847059.db2.gz XSYULZBBEKTBSQ-IBGZPJMESA-N 1 0 395.503 3.129 20 10 GGCDRO COc1ccc(N2CCC([NH2+]C[C@H](O)c3cc(OC)ccc3OC)CC2)cc1 ZINC000124980462 1415085479 /nfs/dbraw/zinc/08/54/79/1415085479.db2.gz YWMKJRWRZGVKGQ-NRFANRHFSA-N 1 0 386.492 3.004 20 10 GGCDRO CCOC(=O)N[C@H](C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1)CC(C)C ZINC000125549620 1415224346 /nfs/dbraw/zinc/22/43/46/1415224346.db2.gz WCLAPNTWGPSGHN-AEFFLSMTSA-N 1 0 395.519 3.474 20 10 GGCDRO CC(C)(C)CC(C)(C)[NH2+]CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000125745880 1415269028 /nfs/dbraw/zinc/26/90/28/1415269028.db2.gz IUDLWNXYMREHIC-UHFFFAOYSA-N 1 0 379.520 3.083 20 10 GGCDRO C[C@@H]([NH2+]Cc1cccnc1-n1cccn1)c1ccc(N2CCOCC2)c(F)c1 ZINC000177903785 1428887565 /nfs/dbraw/zinc/88/75/65/1428887565.db2.gz HBNMKKLJXWSTNP-MRXNPFEDSA-N 1 0 381.455 3.094 20 10 GGCDRO COc1ccc(N2CCN(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CC2)cc1F ZINC000125915415 1415311628 /nfs/dbraw/zinc/31/16/28/1415311628.db2.gz AONBFKBFXQSBQY-LJQANCHMSA-N 1 0 394.535 3.032 20 10 GGCDRO O=S(=O)(Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)c1ccc(F)cc1 ZINC000126586151 1415500567 /nfs/dbraw/zinc/50/05/67/1415500567.db2.gz SUKPADBOBGJZIW-UHFFFAOYSA-N 1 0 389.496 3.159 20 10 GGCDRO Cc1ccc([C@H](CNC(=O)NCc2ccc(N3CC=CC3)cc2)[NH+](C)C)cc1 ZINC000126649713 1415517533 /nfs/dbraw/zinc/51/75/33/1415517533.db2.gz LDHZEEABJDKAIT-QFIPXVFZSA-N 1 0 378.520 3.473 20 10 GGCDRO C[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000178041255 1428952278 /nfs/dbraw/zinc/95/22/78/1428952278.db2.gz OIBUBSOZFPUFEB-QRVBRYPASA-N 1 0 393.547 3.202 20 10 GGCDRO COc1ccc(O)c(CNC(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)c1 ZINC000126878006 1415593099 /nfs/dbraw/zinc/59/30/99/1415593099.db2.gz CLPAKRGGCABJCU-UHFFFAOYSA-N 1 0 375.513 3.243 20 10 GGCDRO Cc1cc(C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)c(C)n1-c1ccccc1C ZINC000178086210 1428976102 /nfs/dbraw/zinc/97/61/02/1428976102.db2.gz ODPOOCBJCSXPTI-HXUWFJFHSA-N 1 0 381.520 3.197 20 10 GGCDRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)C2CCCC2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000127061477 1415650675 /nfs/dbraw/zinc/65/06/75/1415650675.db2.gz WXTBBGSPKRGGLF-VQIMIIECSA-N 1 0 389.515 3.104 20 10 GGCDRO CCS(=O)(=O)N(C)CCC[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000178073365 1428970112 /nfs/dbraw/zinc/97/01/12/1428970112.db2.gz OSMILCNWJDHFAW-SFHVURJKSA-N 1 0 381.586 3.389 20 10 GGCDRO Cc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(N3CCOCC3)cc2)c(F)c1 ZINC000127219283 1415691362 /nfs/dbraw/zinc/69/13/62/1415691362.db2.gz OXMDSWAROFQXGV-QGZVFWFLSA-N 1 0 385.483 3.430 20 10 GGCDRO Cc1ccccc1CCNC(=O)[C@@H](C)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000127220246 1415691999 /nfs/dbraw/zinc/69/19/99/1415691999.db2.gz HXOMMEIDBHQRNT-HXUWFJFHSA-N 1 0 395.547 3.011 20 10 GGCDRO C[NH+](C)[C@@H](CNC(=O)NCc1ccc(N2CC=CC2)cc1)c1ccc(F)cc1 ZINC000127245924 1415701865 /nfs/dbraw/zinc/70/18/65/1415701865.db2.gz KWKBDHGRXNKMIK-NRFANRHFSA-N 1 0 382.483 3.304 20 10 GGCDRO C[C@@H](CNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)C[NH+]1CCCCC1 ZINC000127457096 1415786220 /nfs/dbraw/zinc/78/62/20/1415786220.db2.gz QTIKOZXUINGCBS-ICSRJNTNSA-N 1 0 389.540 3.205 20 10 GGCDRO COCCC(=O)N1CCC([NH2+][C@H](C)c2ccc(N3CCCCC3)c(F)c2)CC1 ZINC000127820781 1415857156 /nfs/dbraw/zinc/85/71/56/1415857156.db2.gz WCTWFXMKEBJDJG-QGZVFWFLSA-N 1 0 391.531 3.494 20 10 GGCDRO Cc1nn(C)cc1[C@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000178189326 1429013939 /nfs/dbraw/zinc/01/39/39/1429013939.db2.gz BMECJLGYRBABJF-ZDUSSCGKSA-N 1 0 382.430 3.435 20 10 GGCDRO CCN(CCC[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1)S(C)(=O)=O ZINC000128279851 1415953669 /nfs/dbraw/zinc/95/36/69/1415953669.db2.gz RUTDBODVQQFIOP-INIZCTEOSA-N 1 0 385.549 3.138 20 10 GGCDRO CCN(CCC[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1)S(C)(=O)=O ZINC000128331844 1415964341 /nfs/dbraw/zinc/96/43/41/1415964341.db2.gz OFWRFPPMTZRSQM-SFHVURJKSA-N 1 0 381.586 3.389 20 10 GGCDRO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000128451617 1415989725 /nfs/dbraw/zinc/98/97/25/1415989725.db2.gz MXHLMRWHLOUMDY-QGZVFWFLSA-N 1 0 393.503 3.104 20 10 GGCDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NCc1ccc(N(C)C)cc1 ZINC000129033210 1416129797 /nfs/dbraw/zinc/12/97/97/1416129797.db2.gz VEAOCDSNVSSNJA-JOCHJYFZSA-N 1 0 395.551 3.344 20 10 GGCDRO C[C@H]([NH2+]C1CCN(S(C)(=O)=O)CC1)c1ccc(N2CCCCCC2)cc1 ZINC000129743998 1416257162 /nfs/dbraw/zinc/25/71/62/1416257162.db2.gz SMWHMRJTGMLNJZ-KRWDZBQOSA-N 1 0 379.570 3.142 20 10 GGCDRO CCN(CC)C(=O)C[C@@H](C)[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000130096272 1416317521 /nfs/dbraw/zinc/31/75/21/1416317521.db2.gz LCWHBKOVPJPPBE-CVEARBPZSA-N 1 0 383.483 3.493 20 10 GGCDRO C[C@@H]([NH2+]CC1CCN(S(C)(=O)=O)CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000130199539 1416338587 /nfs/dbraw/zinc/33/85/87/1416338587.db2.gz RLEKARRQUDIOND-MRXNPFEDSA-N 1 0 397.560 3.138 20 10 GGCDRO CN(C)c1ccc(C[NH2+]C[C@H](O)COc2ccccc2Br)cc1 ZINC000130982926 1416491259 /nfs/dbraw/zinc/49/12/59/1416491259.db2.gz ZHLLEMMSUGDFJP-INIZCTEOSA-N 1 0 379.298 3.045 20 10 GGCDRO Cc1cc(O)c(C[NH2+]C[C@@H](O)COc2ccccc2Br)cc1C ZINC000131015036 1416496124 /nfs/dbraw/zinc/49/61/24/1416496124.db2.gz JGRGHVFNJNMDJG-OAHLLOKOSA-N 1 0 380.282 3.301 20 10 GGCDRO C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000131579923 1416579193 /nfs/dbraw/zinc/57/91/93/1416579193.db2.gz NRWMQMJOWTVPFI-QGZVFWFLSA-N 1 0 394.519 3.235 20 10 GGCDRO COc1cc(Br)cc(C[NH2+][C@H]2CCN(C3CCCCC3)C2=O)c1O ZINC000131585113 1416580064 /nfs/dbraw/zinc/58/00/64/1416580064.db2.gz UMABNYSQEAFJSB-HNNXBMFYSA-N 1 0 397.313 3.187 20 10 GGCDRO Cc1cc(C(=O)N2CC[C@H](C[NH3+])C2)c(C)n1-c1ccc(Br)cc1 ZINC000178583232 1429113487 /nfs/dbraw/zinc/11/34/87/1429113487.db2.gz IKTXGKHPBKHUPK-CQSZACIVSA-N 1 0 376.298 3.277 20 10 GGCDRO Cc1ccc(C(=O)NCC[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000131870308 1416637965 /nfs/dbraw/zinc/63/79/65/1416637965.db2.gz DKBHDCKLWSDPOJ-QGZVFWFLSA-N 1 0 385.483 3.051 20 10 GGCDRO CC[C@@H]([NH2+]Cc1ccc(CS(=O)(=O)NC)cc1)c1ccc(N(C)C)cc1 ZINC000131903087 1416647140 /nfs/dbraw/zinc/64/71/40/1416647140.db2.gz YOAQOKCXWQDMPY-HXUWFJFHSA-N 1 0 375.538 3.043 20 10 GGCDRO NC(=O)c1csc(C[NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)c1 ZINC000132012292 1416673757 /nfs/dbraw/zinc/67/37/57/1416673757.db2.gz CJCJUDXUOXATJI-UHFFFAOYSA-N 1 0 381.448 3.207 20 10 GGCDRO O=S(=O)(CC[NH2+]Cc1ccc(N2CCCCC2)cc1)c1ccc(F)cc1 ZINC000132562253 1416785401 /nfs/dbraw/zinc/78/54/01/1416785401.db2.gz BVLAKXLGUXXHKL-UHFFFAOYSA-N 1 0 376.497 3.380 20 10 GGCDRO NC(=O)c1csc(C[NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 ZINC000133196277 1416863281 /nfs/dbraw/zinc/86/32/81/1416863281.db2.gz LFNZQQUAYLDUDV-ZDUSSCGKSA-N 1 0 381.448 3.207 20 10 GGCDRO CCOc1ccccc1NC(=O)CC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000178670988 1429135066 /nfs/dbraw/zinc/13/50/66/1429135066.db2.gz LXPPGXRAYDSKOL-UHFFFAOYSA-N 1 0 383.492 3.245 20 10 GGCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000133645857 1416929715 /nfs/dbraw/zinc/92/97/15/1416929715.db2.gz SGNQBTMVOPYLHG-JOCHJYFZSA-N 1 0 379.504 3.151 20 10 GGCDRO C[C@@H]([NH2+][C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(N(C)C)cc1 ZINC000133790617 1416964005 /nfs/dbraw/zinc/96/40/05/1416964005.db2.gz JJNKBHLLLPFYME-HZPDHXFCSA-N 1 0 375.538 3.415 20 10 GGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000133790427 1416964271 /nfs/dbraw/zinc/96/42/71/1416964271.db2.gz JJNKBHLLLPFYME-JKSUJKDBSA-N 1 0 375.538 3.415 20 10 GGCDRO CC[C@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(N(C)C)cc1 ZINC000133848176 1416977150 /nfs/dbraw/zinc/97/71/50/1416977150.db2.gz JLCYJAOJOFFVFD-FQEVSTJZSA-N 1 0 375.538 3.244 20 10 GGCDRO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1ccc(Cl)nc1 ZINC000134264869 1417046463 /nfs/dbraw/zinc/04/64/63/1417046463.db2.gz GEKUIEPTKBZGSI-OAHLLOKOSA-N 1 0 380.275 3.488 20 10 GGCDRO O=C(CC[C@@H]1CCCCO1)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134262549 1417046612 /nfs/dbraw/zinc/04/66/12/1417046612.db2.gz IHZWKYTVIGDDIY-MSOLQXFVSA-N 1 0 380.916 3.476 20 10 GGCDRO Cc1noc(Cl)c1CC(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134264561 1417046628 /nfs/dbraw/zinc/04/66/28/1417046628.db2.gz JNQQRPYJRHBYMH-CQSZACIVSA-N 1 0 398.290 3.319 20 10 GGCDRO O=C(Cc1c[nH]c2ncccc12)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134267792 1417046938 /nfs/dbraw/zinc/04/69/38/1417046938.db2.gz DNQYGSFKYQAOKJ-QGZVFWFLSA-N 1 0 398.894 3.245 20 10 GGCDRO CC(C)c1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)nn1C ZINC000134267071 1417047335 /nfs/dbraw/zinc/04/73/35/1417047335.db2.gz ZUBNJYFARWDQKU-MRXNPFEDSA-N 1 0 390.915 3.297 20 10 GGCDRO O[C@H](C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1ccc(Cl)c(F)c1 ZINC000136137012 1417294705 /nfs/dbraw/zinc/29/47/05/1417294705.db2.gz VPXNUIMQMRKOBI-LJQANCHMSA-N 1 0 382.838 3.278 20 10 GGCDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3ccc(F)cc3C)CC2)cc1 ZINC000136946615 1417356770 /nfs/dbraw/zinc/35/67/70/1417356770.db2.gz CNSQXVQDUHQXLH-UHFFFAOYSA-N 1 0 385.483 3.085 20 10 GGCDRO CC(C)[C@H]1CCC[N@@H+]1CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000140594756 1417509276 /nfs/dbraw/zinc/50/92/76/1417509276.db2.gz CFIMODOVPADGRU-MBOZVWFJSA-N 1 0 391.531 3.176 20 10 GGCDRO O[C@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccc(OC(F)(F)F)cc1 ZINC000143077551 1417611429 /nfs/dbraw/zinc/61/14/29/1417611429.db2.gz XSRZEDNNIFBHFL-LJQANCHMSA-N 1 0 396.409 3.245 20 10 GGCDRO Fc1ccc(CCN2CCC([NH2+]Cc3ccc(N4CCOCC4)cc3)CC2)cc1 ZINC000151064644 1417865775 /nfs/dbraw/zinc/86/57/75/1417865775.db2.gz OOSZAZLTPDBXRG-UHFFFAOYSA-N 1 0 397.538 3.459 20 10 GGCDRO COc1ccc(N2CC[NH+](CCCNC(=O)[C@@H](C)c3cccs3)CC2)cc1 ZINC000151451416 1417977189 /nfs/dbraw/zinc/97/71/89/1417977189.db2.gz LWUDJHHPOMUTGD-KRWDZBQOSA-N 1 0 387.549 3.189 20 10 GGCDRO C[NH+](C)[C@@H](CNC(=O)NCCCSc1nccs1)Cc1ccccc1 ZINC000151695037 1418064236 /nfs/dbraw/zinc/06/42/36/1418064236.db2.gz MSOLVCHIZTXJGP-MRXNPFEDSA-N 1 0 378.567 3.097 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CCC[C@H]3CSC)cc2F)CC1 ZINC000151986030 1418112901 /nfs/dbraw/zinc/11/29/01/1418112901.db2.gz ZWNKTYSTDLORES-KRWDZBQOSA-N 1 0 394.560 3.005 20 10 GGCDRO CC(C)COC(=O)N1CCC([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000152014171 1418120653 /nfs/dbraw/zinc/12/06/53/1418120653.db2.gz UBUYXYZWGHUJKG-UHFFFAOYSA-N 1 0 393.503 3.009 20 10 GGCDRO FC(F)(F)c1ccc(OCC[NH2+]Cc2ccc(N3CCOCC3)cc2)nc1 ZINC000152201859 1418171580 /nfs/dbraw/zinc/17/15/80/1418171580.db2.gz KYKJYSLNFPJYCC-UHFFFAOYSA-N 1 0 381.398 3.106 20 10 GGCDRO CCOCc1cc(C[NH2+]C[C@@H]2CC(=O)N(Cc3ccccc3)C2)ccc1OC ZINC000179056397 1429251543 /nfs/dbraw/zinc/25/15/43/1429251543.db2.gz MEGIFUCELIXWNZ-FQEVSTJZSA-N 1 0 382.504 3.370 20 10 GGCDRO CCOCc1cc(C[NH2+]C[C@H]2CC(=O)N(Cc3ccccc3)C2)ccc1OC ZINC000179056405 1429251558 /nfs/dbraw/zinc/25/15/58/1429251558.db2.gz MEGIFUCELIXWNZ-HXUWFJFHSA-N 1 0 382.504 3.370 20 10 GGCDRO Cc1cc(C(=O)N(C)[C@@H]2CC[NH2+]C2)c(C)n1-c1ccccc1Br ZINC000179090882 1429259264 /nfs/dbraw/zinc/25/92/64/1429259264.db2.gz YVPKKKQQRSDJQE-CQSZACIVSA-N 1 0 376.298 3.291 20 10 GGCDRO Cc1cc2ncc([C@H](C)[NH2+]Cc3ccc(N4CCC(O)CC4)c(F)c3)c(C)n2n1 ZINC000179405577 1429361779 /nfs/dbraw/zinc/36/17/79/1429361779.db2.gz DAXHZMHOJJZRTD-HNNXBMFYSA-N 1 0 397.498 3.297 20 10 GGCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000179457589 1429383132 /nfs/dbraw/zinc/38/31/32/1429383132.db2.gz LTVLEWSBQALJHA-HSZRJFAPSA-N 1 0 395.547 3.299 20 10 GGCDRO C[C@H]1Oc2ccc(C(=O)C3CC[NH+](Cc4ccccc4O)CC3)cc2NC1=O ZINC000179568879 1429440405 /nfs/dbraw/zinc/44/04/05/1429440405.db2.gz DQPIBCYVWGJQBJ-CQSZACIVSA-N 1 0 380.444 3.207 20 10 GGCDRO COc1ccc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)c(OC)c1OC ZINC000179584807 1429453027 /nfs/dbraw/zinc/45/30/27/1429453027.db2.gz JFYKCSHQNKYJBI-UHFFFAOYSA-N 1 0 386.492 3.181 20 10 GGCDRO COc1ccc(-c2noc(CN3CC[NH+](Cc4cccc(C)c4O)CC3)n2)cc1 ZINC000179656281 1429493204 /nfs/dbraw/zinc/49/32/04/1429493204.db2.gz MDZUIEYIDMUABK-UHFFFAOYSA-N 1 0 394.475 3.077 20 10 GGCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+]C1(c3cccc(Cl)c3)CC1)cc2=O ZINC000179670353 1429500044 /nfs/dbraw/zinc/50/00/44/1429500044.db2.gz CUDFLRPBHUCMFH-UHFFFAOYSA-N 1 0 386.839 3.044 20 10 GGCDRO Cc1cc(C(=O)N2CCC([N@H+](C)CCCO)CC2)c(C)n1-c1ccc(F)cc1 ZINC000179761554 1429545862 /nfs/dbraw/zinc/54/58/62/1429545862.db2.gz FXFONJBCHMXYET-UHFFFAOYSA-N 1 0 387.499 3.152 20 10 GGCDRO Cc1cccc(OC[C@@H](O)C[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)c1 ZINC000152936586 1422301444 /nfs/dbraw/zinc/30/14/44/1422301444.db2.gz RNUXRXPCYAMBBW-MJGOQNOKSA-N 1 0 388.483 3.061 20 10 GGCDRO Cc1cccc(OC[C@H](O)C[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)c1 ZINC000152936481 1422301470 /nfs/dbraw/zinc/30/14/70/1422301470.db2.gz RNUXRXPCYAMBBW-IEBWSBKVSA-N 1 0 388.483 3.061 20 10 GGCDRO COc1cccc([C@@H](CNC(=O)NCc2ccc(N3CC=CC3)cc2)[NH+](C)C)c1 ZINC000152945260 1422304390 /nfs/dbraw/zinc/30/43/90/1422304390.db2.gz CNDJCCZGQLKQGK-JOCHJYFZSA-N 1 0 394.519 3.174 20 10 GGCDRO Cc1cccc(NC2CC[NH+](CC(=O)NCc3ccc(N(C)C)cc3)CC2)c1 ZINC000153045395 1422338125 /nfs/dbraw/zinc/33/81/25/1422338125.db2.gz QCWHBOMEYVXRGZ-UHFFFAOYSA-N 1 0 380.536 3.254 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)/C=C/c3cccc(O)c3)cc2F)CC1 ZINC000153058572 1422342693 /nfs/dbraw/zinc/34/26/93/1422342693.db2.gz LHIMMJNERFKLQA-VQHVLOKHSA-N 1 0 383.467 3.003 20 10 GGCDRO O=C(Nc1ccccc1O)C1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000179767337 1429549603 /nfs/dbraw/zinc/54/96/03/1429549603.db2.gz LDMQVLNZIOREMP-UHFFFAOYSA-N 1 0 395.503 3.080 20 10 GGCDRO CCOCCCNC(=O)C1CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000153176653 1422381923 /nfs/dbraw/zinc/38/19/23/1422381923.db2.gz FEMIRDJSXMKMLL-UHFFFAOYSA-N 1 0 387.568 3.432 20 10 GGCDRO C[C@H]([NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2)c1ccc(N2CCCCC2)cc1 ZINC000153254808 1422421658 /nfs/dbraw/zinc/42/16/58/1422421658.db2.gz WAWWDEVQSCNNGH-FXAWDEMLSA-N 1 0 398.503 3.496 20 10 GGCDRO C[C@H](C(=O)Nc1ccc(F)c(F)c1)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000153333983 1422475966 /nfs/dbraw/zinc/47/59/66/1422475966.db2.gz LNSOENZPHNIHSM-OAHLLOKOSA-N 1 0 389.446 3.260 20 10 GGCDRO CCOc1ccccc1NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000153341928 1422480384 /nfs/dbraw/zinc/48/03/84/1422480384.db2.gz QZWDBHBJLDAZTM-GOSISDBHSA-N 1 0 397.519 3.381 20 10 GGCDRO CCCNC(=O)CN1CCC([NH2+][C@H](C)c2ccc(N3CCCCC3)cc2)CC1 ZINC000153512598 1422578997 /nfs/dbraw/zinc/57/89/97/1422578997.db2.gz HOIUNEQKKFAGHN-LJQANCHMSA-N 1 0 386.584 3.318 20 10 GGCDRO Cc1ccc(CN(C(=O)C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)C2CC2)o1 ZINC000154092261 1422839308 /nfs/dbraw/zinc/83/93/08/1422839308.db2.gz YIOTUYNSNZVPPL-UHFFFAOYSA-N 1 0 397.519 3.048 20 10 GGCDRO COc1ccc([C@@H](C[NH2+][C@H](C)c2ccc(N(C)C)cc2)N2CCOCC2)cc1 ZINC000154252991 1422862456 /nfs/dbraw/zinc/86/24/56/1422862456.db2.gz XHZBSJHRIFPFHS-WZONZLPQSA-N 1 0 383.536 3.485 20 10 GGCDRO COc1ccc(C[N@H+](Cc2ccco2)Cc2ccccc2O)cc1OCC(N)=O ZINC000154715608 1423009499 /nfs/dbraw/zinc/00/94/99/1423009499.db2.gz UJIWVDUXWOJJDZ-UHFFFAOYSA-N 1 0 396.443 3.060 20 10 GGCDRO CCOc1cccc(C[NH+]2CCC(C(=O)NCc3ccc(F)cc3)CC2)c1O ZINC000154734338 1423015584 /nfs/dbraw/zinc/01/55/84/1423015584.db2.gz DKBCGLWMIHMVJD-UHFFFAOYSA-N 1 0 386.467 3.458 20 10 GGCDRO C[C@H]([NH2+]Cc1cccc(OCCN2CCOCC2)c1)c1ccc(N(C)C)cc1 ZINC000155158790 1423202688 /nfs/dbraw/zinc/20/26/88/1423202688.db2.gz XLIJLTMZJIBQJO-IBGZPJMESA-N 1 0 383.536 3.314 20 10 GGCDRO C[C@@H]([NH2+]Cc1cccc(OCCN2CCOCC2)c1)c1ccc(N(C)C)cc1 ZINC000155158902 1423202971 /nfs/dbraw/zinc/20/29/71/1423202971.db2.gz XLIJLTMZJIBQJO-LJQANCHMSA-N 1 0 383.536 3.314 20 10 GGCDRO COc1ccc([C@@H]2CC[N@H+](CC(=O)N(C)Cc3ccc(N(C)C)cc3)C2)cc1 ZINC000155187413 1423227101 /nfs/dbraw/zinc/22/71/01/1423227101.db2.gz BFUMKXAKIMSLAP-HXUWFJFHSA-N 1 0 381.520 3.209 20 10 GGCDRO C[C@@H]([NH2+]CCCN1CCCCCC1=O)c1ccc(N2CCOCC2)c(F)c1 ZINC000155498309 1423387130 /nfs/dbraw/zinc/38/71/30/1423387130.db2.gz STFVWAOWNBEQJB-QGZVFWFLSA-N 1 0 377.504 3.106 20 10 GGCDRO CC[C@H]([NH2+]Cc1ccccc1CS(=O)(=O)NC(C)C)c1ccccc1O ZINC000155678347 1423482799 /nfs/dbraw/zinc/48/27/99/1423482799.db2.gz ZHMYVFPHAVFEKC-IBGZPJMESA-N 1 0 376.522 3.461 20 10 GGCDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)NCc2ccc(N3CC=CC3)cc2)o1 ZINC000155692896 1423489001 /nfs/dbraw/zinc/48/90/01/1423489001.db2.gz ABPSOXRNZNJPHE-UHFFFAOYSA-N 1 0 382.508 3.238 20 10 GGCDRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000155706120 1423496526 /nfs/dbraw/zinc/49/65/26/1423496526.db2.gz ALOCHIMJBMFVRQ-UHFFFAOYSA-N 1 0 396.510 3.475 20 10 GGCDRO COc1ccc(CCC(=O)N2CCC[N@H+](Cc3cc(OC)ccc3O)CC2)cc1 ZINC000179934612 1429650411 /nfs/dbraw/zinc/65/04/11/1429650411.db2.gz FXKDSPJPWCRBFT-UHFFFAOYSA-N 1 0 398.503 3.077 20 10 GGCDRO C[C@@H]([NH2+]C[C@@H]1COC2(CCOCC2)O1)c1ccc(N2CCCCC2)c(F)c1 ZINC000179987736 1429676843 /nfs/dbraw/zinc/67/68/43/1429676843.db2.gz ZLZWXSUWZFWCAI-SJLPKXTDSA-N 1 0 378.488 3.389 20 10 GGCDRO Cc1cc(C(=O)N(CC[NH+](C)C)Cc2cccc(O)c2)c(C)n1-c1ccccn1 ZINC000157346016 1423990326 /nfs/dbraw/zinc/99/03/26/1423990326.db2.gz YINIBTYEPUMKHS-UHFFFAOYSA-N 1 0 392.503 3.399 20 10 GGCDRO C[C@@H](SCC[NH+](C)C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000157707554 1424070546 /nfs/dbraw/zinc/07/05/46/1424070546.db2.gz ZAPQUIXIXLIBBI-CYBMUJFWSA-N 1 0 382.485 3.084 20 10 GGCDRO COc1ccc(N2CCC([NH2+]Cc3ccc(N4CCO[C@@H](C)C4)nc3)CC2)cc1 ZINC000157731370 1424076149 /nfs/dbraw/zinc/07/61/49/1424076149.db2.gz KCHAZNWILQQQFI-SFHVURJKSA-N 1 0 396.535 3.074 20 10 GGCDRO CCN(CC)C(=O)C[C@H](C)[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000157750603 1424080141 /nfs/dbraw/zinc/08/01/41/1424080141.db2.gz XGUWEPCVWLNURH-HNNXBMFYSA-N 1 0 383.483 3.493 20 10 GGCDRO O=S(=O)(NC1CC[NH+](Cc2cc(Cl)ccc2O)CC1)c1ccc(F)cc1 ZINC000180021814 1429698114 /nfs/dbraw/zinc/69/81/14/1429698114.db2.gz HVJVSZKELSIVFS-UHFFFAOYSA-N 1 0 398.887 3.128 20 10 GGCDRO COc1ccc(N2CCC([NH2+]C3CCN(CCOC(C)C)CC3)CC2)cc1 ZINC000158005712 1424138119 /nfs/dbraw/zinc/13/81/19/1424138119.db2.gz ZBQJWWGMYIMTPD-UHFFFAOYSA-N 1 0 375.557 3.143 20 10 GGCDRO CCOc1ccccc1N1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000158175934 1424186842 /nfs/dbraw/zinc/18/68/42/1424186842.db2.gz KIYUGUKBXVBWFW-UHFFFAOYSA-N 1 0 381.520 3.244 20 10 GGCDRO CCCC[NH+]1CCC(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)CC1 ZINC000158567736 1424291725 /nfs/dbraw/zinc/29/17/25/1424291725.db2.gz ZCGUPYHHLMLNRN-FQEVSTJZSA-N 1 0 389.540 3.347 20 10 GGCDRO COc1cc(C[NH+]2CCC(C(=O)NCCc3cccs3)CC2)c(O)cc1C ZINC000159992430 1424559759 /nfs/dbraw/zinc/55/97/59/1424559759.db2.gz QWXVBSHEWDOFJD-UHFFFAOYSA-N 1 0 388.533 3.342 20 10 GGCDRO CCCCCCNC(=O)[C@@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000160057913 1424567642 /nfs/dbraw/zinc/56/76/42/1424567642.db2.gz KLJFRUAMIJFTFE-MRXNPFEDSA-N 1 0 378.513 3.318 20 10 GGCDRO COc1ccc(N2CC[NH+](CC3CCN(C(=O)C(C)(C)C)CC3)CC2)cc1F ZINC000160101349 1424574562 /nfs/dbraw/zinc/57/45/62/1424574562.db2.gz OQEAKZNCDRDOLU-UHFFFAOYSA-N 1 0 391.531 3.241 20 10 GGCDRO Cc1cc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)ccc1-n1cncn1 ZINC000160171361 1424582249 /nfs/dbraw/zinc/58/22/49/1424582249.db2.gz GYDOGUFJKITHKL-HXUWFJFHSA-N 1 0 378.476 3.463 20 10 GGCDRO Cc1cc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)ccc1-n1cncn1 ZINC000160171238 1424583002 /nfs/dbraw/zinc/58/30/02/1424583002.db2.gz GYDOGUFJKITHKL-FQEVSTJZSA-N 1 0 378.476 3.463 20 10 GGCDRO Cn1cc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)c(-c2ccncc2)n1 ZINC000160199820 1424586286 /nfs/dbraw/zinc/58/62/86/1424586286.db2.gz OHWXNQOYWQJPQW-FQEVSTJZSA-N 1 0 378.476 3.369 20 10 GGCDRO COc1cc(O)c(C[NH+]2CCC(C(=O)NCc3ccc(C)cc3)CC2)cc1OC ZINC000160343772 1424596960 /nfs/dbraw/zinc/59/69/60/1424596960.db2.gz WYNGLCPWBWTEMW-UHFFFAOYSA-N 1 0 398.503 3.246 20 10 GGCDRO CCC[N@H+](Cc1nc2oc(C)c(C(=O)OCC)c2c(N)n1)Cc1ccccc1O ZINC000161327598 1424677988 /nfs/dbraw/zinc/67/79/88/1424677988.db2.gz DUFOSFDGNLSIDQ-UHFFFAOYSA-N 1 0 398.463 3.408 20 10 GGCDRO CC[C@H]([NH2+][C@@H](C)c1cccc(S(=O)(=O)NC)c1)c1ccc(N(C)C)cc1 ZINC000161448570 1424689732 /nfs/dbraw/zinc/68/97/32/1424689732.db2.gz CHQRVVDZHSQQQS-YWZLYKJASA-N 1 0 375.538 3.463 20 10 GGCDRO C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000161816703 1424771497 /nfs/dbraw/zinc/77/14/97/1424771497.db2.gz VXVOVYHANPBWLF-ZWKOTPCHSA-N 1 0 399.510 3.360 20 10 GGCDRO C[C@@H](CNC(=O)[C@H](C)[N@H+](C)Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000161845639 1424778043 /nfs/dbraw/zinc/77/80/43/1424778043.db2.gz MTLXEKXAHYRKOB-PMACEKPBSA-N 1 0 395.547 3.263 20 10 GGCDRO COc1ccc(N2CCC([NH2+]C3CCN(Cc4ccccn4)CC3)CC2)cc1 ZINC000162243700 1424830218 /nfs/dbraw/zinc/83/02/18/1424830218.db2.gz IVNXPTZALOVIFD-UHFFFAOYSA-N 1 0 380.536 3.313 20 10 GGCDRO COc1ccc(N2CCN(CCC[NH2+][C@H](C)c3cnn(C(C)C)c3)CC2)cc1 ZINC000162832625 1424894727 /nfs/dbraw/zinc/89/47/27/1424894727.db2.gz DPMOEORCKFOUHZ-LJQANCHMSA-N 1 0 385.556 3.336 20 10 GGCDRO CC[S@@](=O)[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)C1 ZINC000163005076 1424922272 /nfs/dbraw/zinc/92/22/72/1424922272.db2.gz MENQJRPFKRZUDK-VONGQSCESA-N 1 0 382.545 3.393 20 10 GGCDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)CN1C1CC1 ZINC000163407541 1424993021 /nfs/dbraw/zinc/99/30/21/1424993021.db2.gz UMNUOEPRTXUCIM-GOEBONIOSA-N 1 0 383.458 3.257 20 10 GGCDRO C[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)CN1C1CC1 ZINC000163407285 1424993063 /nfs/dbraw/zinc/99/30/63/1424993063.db2.gz UMNUOEPRTXUCIM-HOCLYGCPSA-N 1 0 383.458 3.257 20 10 GGCDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)CN1C1CC1 ZINC000163407179 1424993214 /nfs/dbraw/zinc/99/32/14/1424993214.db2.gz UMNUOEPRTXUCIM-ZBFHGGJFSA-N 1 0 383.458 3.257 20 10 GGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)c1cccc(-n2cnnn2)c1 ZINC000163575261 1425020370 /nfs/dbraw/zinc/02/03/70/1425020370.db2.gz RDZLOKJKTQGIRC-MRXNPFEDSA-N 1 0 380.521 3.066 20 10 GGCDRO C[C@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)c1ccc(-n2cnnn2)cc1 ZINC000163636531 1425026724 /nfs/dbraw/zinc/02/67/24/1425026724.db2.gz HVIJTDROWDEZPC-INIZCTEOSA-N 1 0 380.521 3.066 20 10 GGCDRO COc1ccc(N2CCC([NH2+][C@@H](CN3CCOCC3)c3ccccc3)CC2)cc1 ZINC000163706973 1425036786 /nfs/dbraw/zinc/03/67/86/1425036786.db2.gz CPZADLHVUXVSQB-DEOSSOPVSA-N 1 0 395.547 3.327 20 10 GGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)c1 ZINC000164238684 1425090706 /nfs/dbraw/zinc/09/07/06/1425090706.db2.gz UROMYAUNGLNJDU-OAQYLSRUSA-N 1 0 394.563 3.438 20 10 GGCDRO COc1cc(C[N@@H+]2CCC[C@H](CN3CCOCC3)C2)c(O)c(C(C)(C)C)c1 ZINC000164326220 1425099235 /nfs/dbraw/zinc/09/92/35/1425099235.db2.gz WYRIHAJYIJBNQD-QGZVFWFLSA-N 1 0 376.541 3.243 20 10 GGCDRO C[C@@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(N2CCOCC2)cc1 ZINC000164496512 1425117811 /nfs/dbraw/zinc/11/78/11/1425117811.db2.gz AYCYOISVNYILMZ-AEFFLSMTSA-N 1 0 375.513 3.183 20 10 GGCDRO COc1cccc2c1OC[C@@H]([NH2+][C@@H](C)c1ccc(N3CCOCC3)c(F)c1)C2 ZINC000164577374 1425125333 /nfs/dbraw/zinc/12/53/33/1425125333.db2.gz NQDXOPQVNBLHEZ-YJBOKZPZSA-N 1 0 386.467 3.325 20 10 GGCDRO CC[C@H]([NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1)C(=O)N1CCOCC1 ZINC000165039387 1425158928 /nfs/dbraw/zinc/15/89/28/1425158928.db2.gz YQRQLBVOHQHGCW-LPHOPBHVSA-N 1 0 377.504 3.104 20 10 GGCDRO Nc1ccc(CC(=O)N[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000168950256 1425240989 /nfs/dbraw/zinc/24/09/89/1425240989.db2.gz FHDYQSASIUGOEV-GOSISDBHSA-N 1 0 377.410 3.221 20 10 GGCDRO CN(C)c1ccc(CNC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)cc1 ZINC000171139123 1425502724 /nfs/dbraw/zinc/50/27/24/1425502724.db2.gz LMNZULNNGGMVOI-OAQYLSRUSA-N 1 0 380.536 3.116 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)Nc3ccccc3OC)cc2F)CC1 ZINC000171687159 1425789229 /nfs/dbraw/zinc/78/92/29/1425789229.db2.gz SFENCFFBXKMONN-UHFFFAOYSA-N 1 0 386.471 3.298 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CCn4cccc4[C@H]3C)cc2F)CC1 ZINC000171751380 1425811077 /nfs/dbraw/zinc/81/10/77/1425811077.db2.gz CUVBHVQKFFGNMF-QGZVFWFLSA-N 1 0 399.514 3.056 20 10 GGCDRO O=C(/C=C/c1ccc(N2CCOCC2)cc1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172420029 1426035255 /nfs/dbraw/zinc/03/52/55/1426035255.db2.gz MNDUOMIXEVIZSP-DHZHZOJOSA-N 1 0 383.536 3.013 20 10 GGCDRO O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000172689825 1426144439 /nfs/dbraw/zinc/14/44/39/1426144439.db2.gz OPVCVIJPYUAJBR-FQEVSTJZSA-N 1 0 380.492 3.292 20 10 GGCDRO CCc1nsc(N2CC[NH+](Cc3c(O)ccc4ccc(OC)cc43)CC2)n1 ZINC000173473171 1426647510 /nfs/dbraw/zinc/64/75/10/1426647510.db2.gz ANWMBISFSHRJHQ-UHFFFAOYSA-N 1 0 384.505 3.290 20 10 GGCDRO Cc1cc(O)c(C[NH2+]Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1C ZINC000174246332 1427067913 /nfs/dbraw/zinc/06/79/13/1427067913.db2.gz MAFAQLFQLVFPTK-UHFFFAOYSA-N 1 0 388.533 3.473 20 10 GGCDRO NC(=O)[C@@H]([NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(F)cc1 ZINC000174282733 1427084326 /nfs/dbraw/zinc/08/43/26/1427084326.db2.gz NSPFQYLLVGKCBA-QAPCUYQASA-N 1 0 393.409 3.212 20 10 GGCDRO NC(=O)[C@H]([NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(F)cc1 ZINC000174282770 1427084526 /nfs/dbraw/zinc/08/45/26/1427084526.db2.gz NSPFQYLLVGKCBA-MAUKXSAKSA-N 1 0 393.409 3.212 20 10 GGCDRO CC[N@H+](Cc1cc(Br)ccc1O)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000174426512 1427151731 /nfs/dbraw/zinc/15/17/31/1427151731.db2.gz AYIOLOZWKDNNFZ-GFCCVEGCSA-N 1 0 395.219 3.140 20 10 GGCDRO CS(=O)(=O)c1cccc(Oc2ncccc2C[NH2+]Cc2ccccc2O)c1 ZINC000174445619 1427160075 /nfs/dbraw/zinc/16/00/75/1427160075.db2.gz VIMICHXOJWDVHK-UHFFFAOYSA-N 1 0 384.457 3.273 20 10 GGCDRO CCN(Cc1cc(Br)ccc1O)C(=O)NCC[N@H+](CC)C1CC1 ZINC000174577947 1427236263 /nfs/dbraw/zinc/23/62/63/1427236263.db2.gz KFGWPEYTVHFMJJ-UHFFFAOYSA-N 1 0 384.318 3.171 20 10 GGCDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000174606999 1427258094 /nfs/dbraw/zinc/25/80/94/1427258094.db2.gz LWSHVHSJXKXOAZ-SFHVURJKSA-N 1 0 388.556 3.037 20 10 GGCDRO NC(=O)c1cccc(C[NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 ZINC000174622537 1427268965 /nfs/dbraw/zinc/26/89/65/1427268965.db2.gz XINOYJKWXYBXGE-MRXNPFEDSA-N 1 0 375.419 3.146 20 10 GGCDRO CC(C)[NH+]1CCC(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)CC1 ZINC000174676230 1427303551 /nfs/dbraw/zinc/30/35/51/1427303551.db2.gz BKMMPYXUNMMYPV-QFIPXVFZSA-N 1 0 387.568 3.381 20 10 GGCDRO CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000174738934 1427341175 /nfs/dbraw/zinc/34/11/75/1427341175.db2.gz SDQFAVSMGRTZHT-LBPRGKRZSA-N 1 0 384.318 3.169 20 10 GGCDRO CC[C@@H](NC(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1)c1ccncc1 ZINC000174786345 1427366858 /nfs/dbraw/zinc/36/68/58/1427366858.db2.gz HGWKNQPAWRNTBH-HXUWFJFHSA-N 1 0 399.514 3.313 20 10 GGCDRO CC[C@H](NC(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1)c1ccncc1 ZINC000174786336 1427367114 /nfs/dbraw/zinc/36/71/14/1427367114.db2.gz HGWKNQPAWRNTBH-FQEVSTJZSA-N 1 0 399.514 3.313 20 10 GGCDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3c(C)cccc3C)CC2)cc1 ZINC000175080061 1427536041 /nfs/dbraw/zinc/53/60/41/1427536041.db2.gz XFGIBERRVMMULJ-UHFFFAOYSA-N 1 0 381.520 3.254 20 10 GGCDRO C[C@H](CNC(=O)N(Cc1ccccc1O)C1CCCCC1)CN1CCOCC1 ZINC000175182350 1427586605 /nfs/dbraw/zinc/58/66/05/1427586605.db2.gz MJKKHELTGAGICJ-GOSISDBHSA-N 1 0 389.540 3.205 20 10 GGCDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3ccc(C)cc3F)CC2)cc1 ZINC000175402196 1427733682 /nfs/dbraw/zinc/73/36/82/1427733682.db2.gz RFYVNKLYDMSFSG-UHFFFAOYSA-N 1 0 385.483 3.085 20 10 GGCDRO COc1ccc(O)c(CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000175538114 1427808318 /nfs/dbraw/zinc/80/83/18/1427808318.db2.gz JSBVGWUPNVIDAU-APWZRJJASA-N 1 0 383.492 3.253 20 10 GGCDRO COc1cccc(CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1O ZINC000175632713 1427838226 /nfs/dbraw/zinc/83/82/26/1427838226.db2.gz JGOPTEADMAMKHI-QFBILLFUSA-N 1 0 383.492 3.253 20 10 GGCDRO COc1cccc(CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1O ZINC000175632750 1427838385 /nfs/dbraw/zinc/83/83/85/1427838385.db2.gz JGOPTEADMAMKHI-LPHOPBHVSA-N 1 0 383.492 3.253 20 10 GGCDRO C[N@H+](CCNC(=O)NCc1ccc(N2CC=CC2)cc1)Cc1ccc(F)cc1 ZINC000175801175 1427897941 /nfs/dbraw/zinc/89/79/41/1427897941.db2.gz JTKGUIWUVGKHHB-UHFFFAOYSA-N 1 0 382.483 3.133 20 10 GGCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H](CNC(=O)c3ccccc3)C2)c1O ZINC000175811797 1427904772 /nfs/dbraw/zinc/90/47/72/1427904772.db2.gz YDGFQPPHSMGMMW-INIZCTEOSA-N 1 0 384.451 3.376 20 10 GGCDRO CO[C@@H](C)c1noc(CN2CCC[N@H+](Cc3c(O)ccc4ccccc43)CC2)n1 ZINC000176183906 1428146975 /nfs/dbraw/zinc/14/69/75/1428146975.db2.gz JMLIMVQIVRTNBW-INIZCTEOSA-N 1 0 396.491 3.344 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3cccc4[nH]ccc43)cc2F)CC1 ZINC000176250890 1428195272 /nfs/dbraw/zinc/19/52/72/1428195272.db2.gz HRZCOMFCMUGLJC-UHFFFAOYSA-N 1 0 380.467 3.379 20 10 GGCDRO C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000180205737 1429801441 /nfs/dbraw/zinc/80/14/41/1429801441.db2.gz JTDUKGGMHZABFG-XLIONFOSSA-N 1 0 389.540 3.258 20 10 GGCDRO COc1cc(O)c(C[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)cc1OC ZINC000180276370 1429821539 /nfs/dbraw/zinc/82/15/39/1429821539.db2.gz SWMFRGVXSUOIBZ-UHFFFAOYSA-N 1 0 385.386 3.462 20 10 GGCDRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2cc(F)ccc2O)cc1 ZINC000180413466 1429862337 /nfs/dbraw/zinc/86/23/37/1429862337.db2.gz XJBFLVBVDIUGGA-AWEZNQCLSA-N 1 0 380.485 3.413 20 10 GGCDRO COc1cccc([C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2)[NH+]2CCCC2)c1 ZINC000180599063 1429923665 /nfs/dbraw/zinc/92/36/65/1429923665.db2.gz MAZGTQJDQDBUSA-LHUXKHBRSA-N 1 0 382.460 3.073 20 10 GGCDRO CCOc1cccc([C@@H](C)[NH2+]CC(=O)N2CCN(c3ccc(OC)cc3)CC2)c1 ZINC000180681882 1429973593 /nfs/dbraw/zinc/97/35/93/1429973593.db2.gz QGVLLHWVFJBOOL-GOSISDBHSA-N 1 0 397.519 3.093 20 10 GGCDRO CC[C@@H]([NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1)c1ccc(N(C)C)cc1 ZINC000180796544 1430045559 /nfs/dbraw/zinc/04/55/59/1430045559.db2.gz RDIXKCXPKJFVCO-QGZVFWFLSA-N 1 0 389.512 3.058 20 10 GGCDRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2cc(OC)ccc2O)cc1 ZINC000180893859 1430093764 /nfs/dbraw/zinc/09/37/64/1430093764.db2.gz GOGUWWOVYWMXQH-OAHLLOKOSA-N 1 0 392.521 3.282 20 10 GGCDRO CC(C)CS(=O)(=O)N1CCC([NH2+]Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000181110992 1430214503 /nfs/dbraw/zinc/21/45/03/1430214503.db2.gz LTTNYLLCAPEVSW-UHFFFAOYSA-N 1 0 393.597 3.217 20 10 GGCDRO Cc1ccc(N2CC[C@H]([NH2+][C@@H](C)c3ccc(N4CCOCC4)c(F)c3)C2=O)cc1 ZINC000181145094 1430225800 /nfs/dbraw/zinc/22/58/00/1430225800.db2.gz QRAZERDNBZBGNY-UWJYYQICSA-N 1 0 397.494 3.427 20 10 GGCDRO Cc1ccc(N2CC[C@@H]([NH2+][C@H](C)c3ccc(N4CCOCC4)c(F)c3)C2=O)cc1 ZINC000181145145 1430225815 /nfs/dbraw/zinc/22/58/15/1430225815.db2.gz QRAZERDNBZBGNY-DYESRHJHSA-N 1 0 397.494 3.427 20 10 GGCDRO C[C@@H]([NH2+][C@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc(N2CCCCC2)cc1 ZINC000181177092 1430238471 /nfs/dbraw/zinc/23/84/71/1430238471.db2.gz QNPBIYKNFZKUEN-XLIONFOSSA-N 1 0 381.524 3.257 20 10 GGCDRO Cc1cc(N2CC[C@@H]([NH2+][C@H](C)c3ccc(N4CCCCC4)cc3)C2=O)n(C)n1 ZINC000181188563 1430242190 /nfs/dbraw/zinc/24/21/90/1430242190.db2.gz HRQBGRUUTDNLIN-YLJYHZDGSA-N 1 0 381.524 3.175 20 10 GGCDRO C[NH+](C)C1CCN(c2ccc(NC(=O)/C=C/c3ccc(O)c(O)c3)cc2)CC1 ZINC000181313488 1430270529 /nfs/dbraw/zinc/27/05/29/1430270529.db2.gz QBLQMTJRTCNMFZ-ONNFQVAWSA-N 1 0 381.476 3.280 20 10 GGCDRO COc1ccc(N2CCN(CCC[NH2+][C@H](C)c3ccc(C#N)cc3)CC2)cc1 ZINC000181419372 1430293668 /nfs/dbraw/zinc/29/36/68/1430293668.db2.gz QHVBLQFIGWIAIC-LJQANCHMSA-N 1 0 378.520 3.430 20 10 GGCDRO COc1ccc(N2CCN(CCC[NH2+][C@H](C)c3cccc(C#N)c3)CC2)cc1 ZINC000181419411 1430293853 /nfs/dbraw/zinc/29/38/53/1430293853.db2.gz MEACYXJORZXKHW-LJQANCHMSA-N 1 0 378.520 3.430 20 10 GGCDRO C[C@H]([NH2+][C@@H]1CCO[C@]2(CCSC2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000181456439 1430303806 /nfs/dbraw/zinc/30/38/06/1430303806.db2.gz MVMQLUZATCAHMQ-XAUMDUMWSA-N 1 0 380.529 3.368 20 10 GGCDRO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181519181 1430314199 /nfs/dbraw/zinc/31/41/99/1430314199.db2.gz ZQSGQZGKUGWFCL-HXUWFJFHSA-N 1 0 399.491 3.457 20 10 GGCDRO CCC[C@@H]([NH2+]CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccccc1 ZINC000181778914 1430358504 /nfs/dbraw/zinc/35/85/04/1430358504.db2.gz QQBQYQKIHFLUPP-OAQYLSRUSA-N 1 0 399.510 3.410 20 10 GGCDRO Cc1ccc(C(=O)N[C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)c(O)c1O ZINC000181960124 1430388803 /nfs/dbraw/zinc/38/88/03/1430388803.db2.gz CFWBGGVSWBUYNG-QGZVFWFLSA-N 1 0 382.460 3.124 20 10 GGCDRO CC(=O)c1cc(Cl)cc(C[NH2+][C@@H](CN2CCOCC2)c2ccccc2)c1O ZINC000182149910 1430420430 /nfs/dbraw/zinc/42/04/30/1430420430.db2.gz UMDSVCPPVHMUKN-FQEVSTJZSA-N 1 0 388.895 3.411 20 10 GGCDRO CCc1noc(-c2ccc(CC[NH2+]Cc3cc(OC)c(OC)cc3O)cc2)n1 ZINC000182201203 1430428816 /nfs/dbraw/zinc/42/88/16/1430428816.db2.gz LLFUXKSIGPMPIX-UHFFFAOYSA-N 1 0 383.448 3.354 20 10 GGCDRO C[C@@H](c1ccccc1)[N@H+](CC(=O)NCC(=O)OC(C)(C)C)Cc1ccccc1O ZINC000182300866 1430445083 /nfs/dbraw/zinc/44/50/83/1430445083.db2.gz KBCZMRLNCZZTNJ-KRWDZBQOSA-N 1 0 398.503 3.413 20 10 GGCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)Nc2cc(C)nn2-c2ccc(C)cc2)c1 ZINC000182328657 1430449449 /nfs/dbraw/zinc/44/94/49/1430449449.db2.gz UOXBXXHWSQOPGR-INIZCTEOSA-N 1 0 394.475 3.493 20 10 GGCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)N(C)Cc2ccc(OC(F)F)cc2)c1 ZINC000182382094 1430456179 /nfs/dbraw/zinc/45/61/79/1430456179.db2.gz GSAREVCKWNQXNG-ZDUSSCGKSA-N 1 0 394.418 3.311 20 10 GGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)Nc2c(C)nn(-c3ccccc3)c2C)c1 ZINC000182397233 1430459905 /nfs/dbraw/zinc/45/99/05/1430459905.db2.gz GYJBEPHFQRGRTJ-CQSZACIVSA-N 1 0 394.475 3.493 20 10 GGCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)Nc2ccc(N3CCCCC3)nc2)c1 ZINC000182398924 1430460150 /nfs/dbraw/zinc/46/01/50/1430460150.db2.gz GUKVCEVUCBYLNP-HNNXBMFYSA-N 1 0 384.480 3.075 20 10 GGCDRO Cc1cccc(C[NH2+]CCc2ccc(S(=O)(=O)N3CCCCC3)s2)c1O ZINC000182488814 1430476066 /nfs/dbraw/zinc/47/60/66/1430476066.db2.gz JFVMYSUBLPOVDT-UHFFFAOYSA-N 1 0 394.562 3.269 20 10 GGCDRO COC(=O)c1ccc(C[NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)o1 ZINC000182495193 1430477520 /nfs/dbraw/zinc/47/75/20/1430477520.db2.gz KXORTAJAXSMTDN-ZDUSSCGKSA-N 1 0 380.391 3.426 20 10 GGCDRO O=C(NCc1ccc(O)c(O)c1)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000182527261 1430483793 /nfs/dbraw/zinc/48/37/93/1430483793.db2.gz JIPAZCKYZBWXKB-IBGZPJMESA-N 1 0 394.393 3.169 20 10 GGCDRO C[C@H](CCNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)[NH+]1CCCCC1 ZINC000182683764 1430516680 /nfs/dbraw/zinc/51/66/80/1430516680.db2.gz IVJRTWRZRLVHII-QUCCMNQESA-N 1 0 389.540 3.347 20 10 GGCDRO CCN(CC)c1ccc(CNC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1F ZINC000182806419 1430543500 /nfs/dbraw/zinc/54/35/00/1430543500.db2.gz WJJRYRIISZCTBL-IEBWSBKVSA-N 1 0 376.520 3.298 20 10 GGCDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccc(C)c(O)c1O ZINC000182908716 1430568903 /nfs/dbraw/zinc/56/89/03/1430568903.db2.gz LDDCGARCNIBATJ-QGZVFWFLSA-N 1 0 384.476 3.239 20 10 GGCDRO Oc1cc(OCc2ccccc2)ccc1CN1CCN(CC[NH+]2CCCC2)CC1 ZINC000182957843 1430580302 /nfs/dbraw/zinc/58/03/02/1430580302.db2.gz IGDAUEXYCQWJBF-UHFFFAOYSA-N 1 0 395.547 3.185 20 10 GGCDRO Oc1cc(OCc2ccccc2)ccc1C[NH+]1CCN(c2cnccn2)CC1 ZINC000182995262 1430588102 /nfs/dbraw/zinc/58/81/02/1430588102.db2.gz YZUXVADMPFRDNF-UHFFFAOYSA-N 1 0 376.460 3.083 20 10 GGCDRO Oc1cc(OCc2ccccc2)ccc1CN1CC[NH+](C2CCOCC2)CC1 ZINC000183091583 1430610562 /nfs/dbraw/zinc/61/05/62/1430610562.db2.gz NYMAENSZZBYFCN-UHFFFAOYSA-N 1 0 382.504 3.268 20 10 GGCDRO Oc1cc(OCc2ccccc2)ccc1C[NH+]1CCC(Cn2ccnn2)CC1 ZINC000183129830 1430622969 /nfs/dbraw/zinc/62/29/69/1430622969.db2.gz UKIZBRRHXKFEBS-UHFFFAOYSA-N 1 0 378.476 3.475 20 10 GGCDRO C[C@H]([NH2+]CCOc1ccc(S(=O)(=O)C(F)(F)F)cc1)c1ccccc1O ZINC000183634343 1430759350 /nfs/dbraw/zinc/75/93/50/1430759350.db2.gz BTZACSSUZGJZHB-LBPRGKRZSA-N 1 0 389.395 3.415 20 10 GGCDRO COc1cc(N2CC[NH+](Cc3cc(C)cc(C)c3O)CC2)cc(OC)c1OC ZINC000184067639 1430836938 /nfs/dbraw/zinc/83/69/38/1430836938.db2.gz DBEPYCSDBPJPCZ-UHFFFAOYSA-N 1 0 386.492 3.357 20 10 GGCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3cc(F)cc(C)c3[N+](=O)[O-])c2)CC1 ZINC000184258328 1430863519 /nfs/dbraw/zinc/86/35/19/1430863519.db2.gz PUJAKIDQIDYUNA-UHFFFAOYSA-N 1 0 386.427 3.437 20 10 GGCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3ccccc3OCCOC)c2)CC1 ZINC000184264902 1430864684 /nfs/dbraw/zinc/86/46/84/1430864684.db2.gz BDVGFJJVZXOVLD-UHFFFAOYSA-N 1 0 383.492 3.106 20 10 GGCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3ccc(C(=O)NC(C)C)cc3)c2)CC1 ZINC000184276036 1430866545 /nfs/dbraw/zinc/86/65/45/1430866545.db2.gz NGEXABNOPGMHNA-UHFFFAOYSA-N 1 0 394.519 3.219 20 10 GGCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3cccc(OCCOC)c3)c2)CC1 ZINC000184280489 1430866979 /nfs/dbraw/zinc/86/69/79/1430866979.db2.gz ILECXTWTOSBTGM-UHFFFAOYSA-N 1 0 383.492 3.106 20 10 GGCDRO COc1ccc(N2CCC[N@H+](Cc3cc(-c4cnn(C)c4C)no3)CC2)cc1 ZINC000184463625 1430890748 /nfs/dbraw/zinc/89/07/48/1430890748.db2.gz YLOGSORHQMYEPH-UHFFFAOYSA-N 1 0 381.480 3.104 20 10 GGCDRO Cc1c(-c2cc(C[N@@H+](Cc3ccccc3O)C[C@H]3CCCO3)on2)cnn1C ZINC000184653800 1430930935 /nfs/dbraw/zinc/93/09/35/1430930935.db2.gz OQVZXWZEMNTAFU-QGZVFWFLSA-N 1 0 382.464 3.270 20 10 GGCDRO COCc1ccc(C[NH+]2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)cc1 ZINC000184752228 1430966070 /nfs/dbraw/zinc/96/60/70/1430966070.db2.gz MTYMSXPBLXKJMB-UHFFFAOYSA-N 1 0 386.492 3.181 20 10 GGCDRO COc1ccc([C@H](C[NH2+][C@@H](C)c2cc(OC)ccc2O)N2CCOCC2)cc1 ZINC000184859156 1431005196 /nfs/dbraw/zinc/00/51/96/1431005196.db2.gz JDUYAXMTZTUSEV-KKSFZXQISA-N 1 0 386.492 3.134 20 10 GGCDRO COc1ccc([C@@H](C[NH2+][C@H](C)c2cc(OC)ccc2O)N2CCOCC2)cc1 ZINC000184859211 1431005278 /nfs/dbraw/zinc/00/52/78/1431005278.db2.gz JDUYAXMTZTUSEV-IIBYNOLFSA-N 1 0 386.492 3.134 20 10 GGCDRO CCCS(=O)(=O)N1CCC([NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)CC1 ZINC000185016667 1431042768 /nfs/dbraw/zinc/04/27/68/1431042768.db2.gz JJLCFESCABAQSP-HNNXBMFYSA-N 1 0 380.554 3.126 20 10 GGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(S(=O)(=O)N(C)C(C)C)cc2)c1 ZINC000185133554 1431069026 /nfs/dbraw/zinc/06/90/26/1431069026.db2.gz QRMOGNVSCFWNJY-OAHLLOKOSA-N 1 0 392.521 3.281 20 10 GGCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(CS(=O)(=O)NC(C)C)cc2)c(O)c1 ZINC000185136018 1431069908 /nfs/dbraw/zinc/06/99/08/1431069908.db2.gz FYVZMRWCSBTVML-INIZCTEOSA-N 1 0 376.522 3.379 20 10 GGCDRO CC(C)NS(=O)(=O)Cc1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2O)cc1 ZINC000185136046 1431070115 /nfs/dbraw/zinc/07/01/15/1431070115.db2.gz OEKNXNFCESDJRS-AWEZNQCLSA-N 1 0 380.485 3.210 20 10 GGCDRO C[C@H]([NH2+]C[C@]1(N2CCOCC2)CCSC1)c1cc2c(cc1O)CCCC2 ZINC000185140984 1431070823 /nfs/dbraw/zinc/07/08/23/1431070823.db2.gz ZGVOFARRDVNZOM-HRAATJIYSA-N 1 0 376.566 3.130 20 10 GGCDRO C[C@H]([NH2+]C[C@@]1(N2CCOCC2)CCSC1)c1cc2c(cc1O)CCCC2 ZINC000185141025 1431070875 /nfs/dbraw/zinc/07/08/75/1431070875.db2.gz ZGVOFARRDVNZOM-KKSFZXQISA-N 1 0 376.566 3.130 20 10 GGCDRO CC[NH+]1CCN(c2cccc(NS(=O)(=O)c3cccc4cnccc43)c2)CC1 ZINC000185158776 1431074313 /nfs/dbraw/zinc/07/43/13/1431074313.db2.gz NZKGSSLESQJNDI-UHFFFAOYSA-N 1 0 396.516 3.178 20 10 GGCDRO C[C@@H]([NH2+]CCC(=O)N1CCN(c2ccc(F)cc2)CC1)c1cc(F)ccc1O ZINC000185178577 1431078244 /nfs/dbraw/zinc/07/82/44/1431078244.db2.gz QQWZUOPUDUQOGV-OAHLLOKOSA-N 1 0 389.446 3.060 20 10 GGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(S(=O)(=O)N3CCCC3)cc2)c1 ZINC000185178794 1431078359 /nfs/dbraw/zinc/07/83/59/1431078359.db2.gz OZJYMRGGAXAIKZ-OAHLLOKOSA-N 1 0 390.505 3.036 20 10 GGCDRO Cc1ccc([C@H](C)[NH2+]CCC(=O)N2CCN(c3ccc(F)cc3)CC2)c(O)c1 ZINC000185178498 1431078440 /nfs/dbraw/zinc/07/84/40/1431078440.db2.gz YZZMALRTFKGLPB-KRWDZBQOSA-N 1 0 385.483 3.229 20 10 GGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCC(=O)N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000185178401 1431078452 /nfs/dbraw/zinc/07/84/52/1431078452.db2.gz UGPWQUAIOBAVEQ-QGZVFWFLSA-N 1 0 385.483 3.229 20 10 GGCDRO COc1ccc(O)c([C@H](C)[NH2+]C2CCN(C(=O)Cc3ccccc3OC)CC2)c1 ZINC000185255081 1431094648 /nfs/dbraw/zinc/09/46/48/1431094648.db2.gz RBQYWTBQPJSLAV-INIZCTEOSA-N 1 0 398.503 3.294 20 10 GGCDRO CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+][C@H](C)c1cc(F)ccc1O ZINC000185356157 1431124690 /nfs/dbraw/zinc/12/46/90/1431124690.db2.gz JUMLKOJONGBZCY-CQSZACIVSA-N 1 0 380.485 3.210 20 10 GGCDRO COc1ccc(O)c(CNC(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)c1 ZINC000185434890 1431145003 /nfs/dbraw/zinc/14/50/03/1431145003.db2.gz SARUKIWKCNZAKM-FQEVSTJZSA-N 1 0 383.492 3.111 20 10 GGCDRO Cc1ccc([C@@H](C)[NH2+]CC2CCN(S(=O)(=O)c3ccccc3)CC2)c(O)c1 ZINC000185974655 1431302777 /nfs/dbraw/zinc/30/27/77/1431302777.db2.gz DMMSZKQXSIDOFR-QGZVFWFLSA-N 1 0 388.533 3.452 20 10 GGCDRO Cc1ccc([C@@H](C)[NH2+]CCCC(=O)N2CCN(c3ccccc3)CC2)c(O)c1 ZINC000186062631 1431322627 /nfs/dbraw/zinc/32/26/27/1431322627.db2.gz QOLDDDSQNUIIAI-LJQANCHMSA-N 1 0 381.520 3.480 20 10 GGCDRO C[C@@H]([NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)c1ccc2ccccc2c1O ZINC000186158871 1431344000 /nfs/dbraw/zinc/34/40/00/1431344000.db2.gz YCORCPVASUSHOM-UKRRQHHQSA-N 1 0 391.514 3.092 20 10 GGCDRO C[C@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)c(F)c1)c1cc(F)ccc1O ZINC000186709522 1431497708 /nfs/dbraw/zinc/49/77/08/1431497708.db2.gz KDZDLBNQDCNMRG-LBPRGKRZSA-N 1 0 382.432 3.061 20 10 GGCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3cc(F)cc4[nH]c(=S)[nH]c43)c2)CC1 ZINC000187401083 1431719444 /nfs/dbraw/zinc/71/94/44/1431719444.db2.gz UYXHKZMMTLNWTQ-UHFFFAOYSA-N 1 0 399.495 3.385 20 10 GGCDRO C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)CCO)cc1)c1ccc2ccccc2c1O ZINC000189179185 1432058785 /nfs/dbraw/zinc/05/87/85/1432058785.db2.gz ONLZAKZKMPGSNW-OAHLLOKOSA-N 1 0 385.485 3.162 20 10 GGCDRO C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000189341288 1432089803 /nfs/dbraw/zinc/08/98/03/1432089803.db2.gz RGZLJPGMZASXKB-KRWDZBQOSA-N 1 0 387.549 3.486 20 10 GGCDRO Oc1cc(OCc2ccccc2)ccc1C[NH+]1CCC(Cn2cncn2)CC1 ZINC000189970264 1432293166 /nfs/dbraw/zinc/29/31/66/1432293166.db2.gz ZGBOWHFFTMWKHR-UHFFFAOYSA-N 1 0 378.476 3.475 20 10 GGCDRO COc1cccc(C[N@H+](C)[C@@H](C)c2cccc(N3CCCS3(=O)=O)c2)c1O ZINC000189981490 1432298061 /nfs/dbraw/zinc/29/80/61/1432298061.db2.gz ODTVSRDHJOGFGR-HNNXBMFYSA-N 1 0 390.505 3.134 20 10 GGCDRO COc1cc(O)c(C[NH2+]Cc2ccc(C)nc2-n2cc(Cl)cn2)cc1OC ZINC000191500526 1432673460 /nfs/dbraw/zinc/67/34/60/1432673460.db2.gz OPQWVNMOBOZDEO-UHFFFAOYSA-N 1 0 388.855 3.242 20 10 GGCDRO CCC[N@H+](CCN(Cc1ccccc1)S(C)(=O)=O)Cc1ccccc1O ZINC000192049464 1432787194 /nfs/dbraw/zinc/78/71/94/1432787194.db2.gz GEIQSYWACJCHCG-UHFFFAOYSA-N 1 0 376.522 3.066 20 10 GGCDRO CN(C)c1ccc(CNC(=O)C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)cc1 ZINC000192751270 1432884630 /nfs/dbraw/zinc/88/46/30/1432884630.db2.gz WNWAOLYAIRLRME-UGKGYDQZSA-N 1 0 381.520 3.126 20 10 GGCDRO CCCS(=O)(=O)N1CCC([NH2+][C@H](C)c2ccc3ccccc3c2O)CC1 ZINC000192844057 1432898118 /nfs/dbraw/zinc/89/81/18/1432898118.db2.gz LBHXTJJTLFAEGQ-OAHLLOKOSA-N 1 0 376.522 3.400 20 10 GGCDRO O=C(N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1cccc(O)c1O ZINC000193070050 1432931787 /nfs/dbraw/zinc/93/17/87/1432931787.db2.gz ROWGPPZVADKZQQ-CQSZACIVSA-N 1 0 380.366 3.121 20 10 GGCDRO OC1CCN(c2ccc(C[NH2+]CCCc3ccc4c(c3)CCO4)cc2F)CC1 ZINC000193276291 1432972919 /nfs/dbraw/zinc/97/29/19/1432972919.db2.gz SRQHMSIDBXBYEM-UHFFFAOYSA-N 1 0 384.495 3.444 20 10 GGCDRO CCOC1CC(C[NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)(N2CCOCC2)C1 ZINC000193397023 1432990937 /nfs/dbraw/zinc/99/09/37/1432990937.db2.gz OFBGJFZBASWJLP-JVPSVYLMSA-N 1 0 388.552 3.192 20 10 GGCDRO CN(C)c1ccc(CNC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1F ZINC000194115511 1433119976 /nfs/dbraw/zinc/11/99/76/1433119976.db2.gz SMSIAOWSZHUXBI-LJQANCHMSA-N 1 0 384.499 3.213 20 10 GGCDRO O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000194195512 1433135932 /nfs/dbraw/zinc/13/59/32/1433135932.db2.gz TWGKCVHSVKKSGH-QFIPXVFZSA-N 1 0 390.531 3.384 20 10 GGCDRO CN(C)c1ccc(CN(C)C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000194455638 1433181095 /nfs/dbraw/zinc/18/10/95/1433181095.db2.gz VVCDIAJUCFOPHT-OAQYLSRUSA-N 1 0 380.536 3.416 20 10 GGCDRO COc1cc(C[NH+]2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)ccc1C ZINC000194676883 1433214372 /nfs/dbraw/zinc/21/43/72/1433214372.db2.gz WCQTXMPRRSPJCN-UHFFFAOYSA-N 1 0 386.492 3.352 20 10 GGCDRO C[NH+]1CCC(N2C(=O)/C(=C\c3cnn(-c4ccccc4)c3)SC2=S)CC1 ZINC000194754235 1433225127 /nfs/dbraw/zinc/22/51/27/1433225127.db2.gz IJNDKCCXVLNSIK-GZTJUZNOSA-N 1 0 384.530 3.168 20 10 GGCDRO CCOCc1cc(C[NH2+]C[C@@H](c2ccc(C)o2)N2CCOCC2)ccc1OC ZINC000195264390 1433313102 /nfs/dbraw/zinc/31/31/02/1433313102.db2.gz OTVYZKLEOLQNAS-FQEVSTJZSA-N 1 0 388.508 3.296 20 10 GGCDRO CCOC1CC(C[NH2+]Cc2ccc(N3CCCCC3)cc2)(N2CCOCC2)C1 ZINC000195459295 1433332564 /nfs/dbraw/zinc/33/25/64/1433332564.db2.gz KWNNOXJPRCQNDV-UHFFFAOYSA-N 1 0 387.568 3.036 20 10 GGCDRO Cc1cc(C)c(O)c(C[NH+]2CCN(CC(=O)Nc3cccc(C)c3C)CC2)c1 ZINC000216475695 1433363818 /nfs/dbraw/zinc/36/38/18/1433363818.db2.gz ONKQATFOPXEQJZ-UHFFFAOYSA-N 1 0 381.520 3.382 20 10 GGCDRO COc1ccc(N2CCN(C(=O)C[NH2+][C@@H](C)c3cc4ccccc4o3)CC2)cc1 ZINC000216690737 1433363997 /nfs/dbraw/zinc/36/39/97/1433363997.db2.gz BIQIRIQQDYNYST-KRWDZBQOSA-N 1 0 393.487 3.441 20 10 GGCDRO COc1ccc(N2CC[NH+](CCCNC(=O)/C=C\c3ccccc3F)CC2)cc1 ZINC000216751257 1433364109 /nfs/dbraw/zinc/36/41/09/1433364109.db2.gz PWLVHYXAWPAPPW-GHXNOFRVSA-N 1 0 397.494 3.176 20 10 GGCDRO CC(C)(C)c1cc(C[NH2+]CCN2CCCS2(=O)=O)c(O)c(C(C)(C)C)c1 ZINC000236778736 1433378572 /nfs/dbraw/zinc/37/85/72/1433378572.db2.gz LRLBYXQFWRJLIS-UHFFFAOYSA-N 1 0 382.570 3.112 20 10 GGCDRO CCOc1ccc(O)c(C[NH2+]Cc2ccccc2S(=O)(=O)NC(C)(C)C)c1 ZINC000237054582 1433387438 /nfs/dbraw/zinc/38/74/38/1433387438.db2.gz WJFJSIFBWNJHJD-UHFFFAOYSA-N 1 0 392.521 3.158 20 10 GGCDRO COc1ccc(N2CCN(CCC[NH2+]Cc3ccc(F)c(F)c3)CC2)cc1 ZINC000237271742 1433395270 /nfs/dbraw/zinc/39/52/70/1433395270.db2.gz PVYIBUHTNUCKGU-UHFFFAOYSA-N 1 0 375.463 3.275 20 10 GGCDRO COc1ccc(N2CCN(CCC[NH2+]Cc3cccc4cc[nH]c43)CC2)cc1 ZINC000237273882 1433395281 /nfs/dbraw/zinc/39/52/81/1433395281.db2.gz YNNIOVPOZZBQLD-UHFFFAOYSA-N 1 0 378.520 3.478 20 10 GGCDRO COc1ccc([C@@H](C[NH2+]Cc2cc3c(cc2O)OCO3)N2CCCCC2)cc1 ZINC000237325285 1433397468 /nfs/dbraw/zinc/39/74/68/1433397468.db2.gz FTNFZYKRYSLQFX-LJQANCHMSA-N 1 0 384.476 3.446 20 10 GGCDRO C[C@@H](CC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1CC[NH2+]CC1 ZINC000237545764 1433408913 /nfs/dbraw/zinc/40/89/13/1433408913.db2.gz MVEFIUYCXOTVNK-RDJZCZTQSA-N 1 0 395.494 3.399 20 10 GGCDRO [NH3+]Cc1ccc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1 ZINC000237990307 1433438204 /nfs/dbraw/zinc/43/82/04/1433438204.db2.gz YQVPRVWKINXFRI-INIZCTEOSA-N 1 0 375.419 3.146 20 10 GGCDRO C[C@@H]([N@H+](C)CC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)C1(C)CC1 ZINC000246177131 1433578015 /nfs/dbraw/zinc/57/80/15/1433578015.db2.gz SRTWMNBJMVJESN-IXDOHACOSA-N 1 0 391.531 3.176 20 10 GGCDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000246819752 1433673794 /nfs/dbraw/zinc/67/37/94/1433673794.db2.gz SIJKZASURNZXJF-VQTJNVASSA-N 1 0 389.540 3.347 20 10 GGCDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)N(C)Cc2ccc(N(C)C)cc2)[C@@H](C)C1 ZINC000247325886 1433706623 /nfs/dbraw/zinc/70/66/23/1433706623.db2.gz XSIVLIITLOPURX-RXVVDRJESA-N 1 0 390.572 3.031 20 10 GGCDRO COc1cccc(C[NH2+][C@@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)c1O ZINC000247878357 1433754626 /nfs/dbraw/zinc/75/46/26/1433754626.db2.gz ZJFOHZKGKVTEAH-MOPGFXCFSA-N 1 0 376.884 3.216 20 10 GGCDRO COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000248822673 1433824113 /nfs/dbraw/zinc/82/41/13/1433824113.db2.gz LNQKDAWBNVWENI-TWOQFEAHSA-N 1 0 383.492 3.282 20 10 GGCDRO C[C@H](CNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)[N@@H+]1CCC[C@@H](C)C1 ZINC000249527258 1433846221 /nfs/dbraw/zinc/84/62/21/1433846221.db2.gz VBHSVMCLKVNZAA-QWFCFKBJSA-N 1 0 389.540 3.203 20 10 GGCDRO C[C@@H](CNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)[N@@H+]1CCC[C@@H](C)C1 ZINC000249527261 1433846283 /nfs/dbraw/zinc/84/62/83/1433846283.db2.gz VBHSVMCLKVNZAA-WSTZPKSXSA-N 1 0 389.540 3.203 20 10 GGCDRO Cc1cc(C(=O)Nc2nc(C3CC[NH2+]CC3)nn2C)c(C)n1-c1ccccc1C ZINC000262423480 1433938359 /nfs/dbraw/zinc/93/83/59/1433938359.db2.gz QVCJKUHHPCSTDQ-UHFFFAOYSA-N 1 0 392.507 3.250 20 10 GGCDRO Nc1ccc(CC(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)cc1 ZINC000262652602 1433947979 /nfs/dbraw/zinc/94/79/79/1433947979.db2.gz AWGIURCGTQPNQT-UHFFFAOYSA-N 1 0 380.492 3.265 20 10 GGCDRO Cn1ccnc1[C@@](O)(C[NH2+]Cc1cc(-c2ccccc2)ccc1O)C(F)(F)F ZINC000263694012 1434021714 /nfs/dbraw/zinc/02/17/14/1434021714.db2.gz POVRDWJNRIFNMP-IBGZPJMESA-N 1 0 391.393 3.332 20 10 GGCDRO COc1ccc(C[NH+]2CCC(CNC(=O)NCc3ccccc3O)CC2)cc1 ZINC000263773223 1434031879 /nfs/dbraw/zinc/03/18/79/1434031879.db2.gz UKXYPDANTJCAKW-UHFFFAOYSA-N 1 0 383.492 3.112 20 10 GGCDRO COc1cccc([C@H](CNC(=O)NCc2cccc(OC)c2O)[NH+]2CCCC2)c1 ZINC000266643394 1434358087 /nfs/dbraw/zinc/35/80/87/1434358087.db2.gz COMAGHBZPHYLGT-IBGZPJMESA-N 1 0 399.491 3.046 20 10 GGCDRO COc1cccc(CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1O ZINC000267363165 1434426025 /nfs/dbraw/zinc/42/60/25/1434426025.db2.gz JIQMXPONYLSLMS-APWZRJJASA-N 1 0 383.492 3.111 20 10 GGCDRO C[C@@H]([NH2+]Cc1cccc(C(=O)N(C)C)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000268752541 1434553092 /nfs/dbraw/zinc/55/30/92/1434553092.db2.gz KKQKMLFEIDWIJU-MRXNPFEDSA-N 1 0 385.483 3.215 20 10 GGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1cccc(N2CCOCC2)c1 ZINC000268828831 1434561684 /nfs/dbraw/zinc/56/16/84/1434561684.db2.gz KBZMHDAYFFQSEB-LJQANCHMSA-N 1 0 381.520 3.211 20 10 GGCDRO COc1cc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)ccc1OCC(=O)N(C)C ZINC000268851990 1434564531 /nfs/dbraw/zinc/56/45/31/1434564531.db2.gz TURBNWIKZHOZBF-MRXNPFEDSA-N 1 0 385.508 3.079 20 10 GGCDRO CC[C@H]([NH2+]Cc1ccc(OCC(=O)N(C)C)c(OC)c1)c1ccc(N(C)C)cc1 ZINC000268876170 1434567036 /nfs/dbraw/zinc/56/70/36/1434567036.db2.gz YUNMHNDRNLBBJE-FQEVSTJZSA-N 1 0 399.535 3.469 20 10 GGCDRO CC[C@@H]([NH2+]Cc1ccc(OCC(=O)N(C)C)c(OC)c1)c1ccc(N(C)C)cc1 ZINC000268876173 1434567079 /nfs/dbraw/zinc/56/70/79/1434567079.db2.gz YUNMHNDRNLBBJE-HXUWFJFHSA-N 1 0 399.535 3.469 20 10 GGCDRO C[C@@H]([NH2+]Cc1cccc(-n2cncn2)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000268955651 1434575149 /nfs/dbraw/zinc/57/51/49/1434575149.db2.gz WPFFJRKVJNKCJT-MRXNPFEDSA-N 1 0 381.455 3.094 20 10 GGCDRO CN(C)c1ccc(/N=N/c2ccccc2C(=O)NCC2(O)CC[NH+](C)CC2)cc1 ZINC000269409871 1434640615 /nfs/dbraw/zinc/64/06/15/1434640615.db2.gz FDKMGVNGNGZNHS-OCOZRVBESA-N 1 0 395.507 3.355 20 10 GGCDRO O=C(CCC1CC[NH2+]CC1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000270962332 1434791254 /nfs/dbraw/zinc/79/12/54/1434791254.db2.gz HIBFQTXWXLVGEZ-MRXNPFEDSA-N 1 0 381.467 3.153 20 10 GGCDRO COCCC[N@H+](Cc1cc(-c2ccccc2)ccc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000271038118 1434797828 /nfs/dbraw/zinc/79/78/28/1434797828.db2.gz MBWQENYPPGMHAG-HXUWFJFHSA-N 1 0 389.517 3.085 20 10 GGCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C2)cc1OC ZINC000271108820 1434802411 /nfs/dbraw/zinc/80/24/11/1434802411.db2.gz SUKOQQKPIKAHAL-UKRRQHHQSA-N 1 0 380.485 3.145 20 10 GGCDRO COc1cccc(C[N@H+]2CCCN(Cc3csc([C@H](C)OC)n3)CC2)c1O ZINC000271292008 1434813591 /nfs/dbraw/zinc/81/35/91/1434813591.db2.gz RRJZWLHGQGNFIW-HNNXBMFYSA-N 1 0 391.537 3.273 20 10 GGCDRO C[C@@H](C(=O)c1c[nH]c2ncccc12)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000271335949 1434816942 /nfs/dbraw/zinc/81/69/42/1434816942.db2.gz WLUSTENDMBGCCW-INIZCTEOSA-N 1 0 378.476 3.103 20 10 GGCDRO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C1=O)c1ccc(N2CCOCC2)c(F)c1 ZINC000271419793 1434823301 /nfs/dbraw/zinc/82/33/01/1434823301.db2.gz BLTLPIGPAKCBLK-LAUBAEHRSA-N 1 0 397.494 3.114 20 10 GGCDRO COc1cc(O)c(C[N@H+](C)C2CCN(C(=O)c3ccccc3)CC2)cc1OC ZINC000271695110 1434844697 /nfs/dbraw/zinc/84/46/97/1434844697.db2.gz AVNASWRDMCXEDT-UHFFFAOYSA-N 1 0 384.476 3.146 20 10 GGCDRO CC[C@H]([NH2+]Cc1cc(OC)c(OC)cc1O)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000271783728 1434850265 /nfs/dbraw/zinc/85/02/65/1434850265.db2.gz FGNLCQZKHXCHKP-PGRDOPGGSA-N 1 0 396.491 3.467 20 10 GGCDRO COc1ccc(O)c(C[N@H+]2CCCN(Cc3csc([C@@H](C)OC)n3)CC2)c1 ZINC000271891978 1434857518 /nfs/dbraw/zinc/85/75/18/1434857518.db2.gz XHCKWLYYCDKVHC-OAHLLOKOSA-N 1 0 391.537 3.273 20 10 GGCDRO COc1cc(O)c(C[NH2+]Cc2nn(-c3ccccc3)c3c2CCC3)cc1OC ZINC000272070508 1434870228 /nfs/dbraw/zinc/87/02/28/1434870228.db2.gz JNIHEVISRUWRPG-UHFFFAOYSA-N 1 0 379.460 3.374 20 10 GGCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)cc1OC ZINC000272156654 1434875358 /nfs/dbraw/zinc/87/53/58/1434875358.db2.gz AJLROQCHKBSXBV-UONOGXRCSA-N 1 0 380.485 3.145 20 10 GGCDRO COc1cc(O)c(C[N@@H+]2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)cc1OC ZINC000272156652 1434875411 /nfs/dbraw/zinc/87/54/11/1434875411.db2.gz AJLROQCHKBSXBV-KBPBESRZSA-N 1 0 380.485 3.145 20 10 GGCDRO C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273376496 1434984335 /nfs/dbraw/zinc/98/43/35/1434984335.db2.gz BLFFKZYRTDSPOL-HNAYVOBHSA-N 1 0 385.464 3.108 20 10 GGCDRO C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273376497 1434984382 /nfs/dbraw/zinc/98/43/82/1434984382.db2.gz BLFFKZYRTDSPOL-KXBFYZLASA-N 1 0 385.464 3.108 20 10 GGCDRO C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273376494 1434984448 /nfs/dbraw/zinc/98/44/48/1434984448.db2.gz BLFFKZYRTDSPOL-DNVCBOLYSA-N 1 0 385.464 3.108 20 10 GGCDRO C[C@@H]([NH2+]Cc1ccc(C(=O)N2CCN(C)CC2)cc1)c1cc(Cl)ccc1O ZINC000273380873 1434984740 /nfs/dbraw/zinc/98/47/40/1434984740.db2.gz IGCPJNXNCAWMRU-OAHLLOKOSA-N 1 0 387.911 3.284 20 10 GGCDRO C[C@@H]([NH2+]C[C@](O)(c1nccn1C)C(F)(F)F)c1ccc2ccccc2c1O ZINC000273462827 1434990389 /nfs/dbraw/zinc/99/03/89/1434990389.db2.gz QUQHJKGIEQSLNH-XIKOKIGWSA-N 1 0 379.382 3.380 20 10 GGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)c2cc(Cl)c3c(c2)OCCO3)c1 ZINC000273569491 1434997380 /nfs/dbraw/zinc/99/73/80/1434997380.db2.gz KHURMOUNDHPMNS-PIGZYNQJSA-N 1 0 379.840 3.210 20 10 GGCDRO C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273603073 1434999494 /nfs/dbraw/zinc/99/94/94/1434999494.db2.gz SIXYPEORXCHUCS-OAHLLOKOSA-N 1 0 385.464 3.108 20 10 GGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)c1 ZINC000273623292 1435000239 /nfs/dbraw/zinc/00/02/39/1435000239.db2.gz ZUNVUUHYBDUGHH-UONOGXRCSA-N 1 0 378.494 3.063 20 10 GGCDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)[C@]12CCCO2 ZINC000274244397 1435054411 /nfs/dbraw/zinc/05/44/11/1435054411.db2.gz RGJIZFNAOQOQBE-JWOSDPRPSA-N 1 0 378.488 3.040 20 10 GGCDRO CCn1nc(/C=C2/SC(=S)N(C3CC[NH+](C)CC3)C2=O)c2ccccc21 ZINC000274410089 1435068877 /nfs/dbraw/zinc/06/88/77/1435068877.db2.gz GQABNIJTKOLKLU-SFQUDFHCSA-N 1 0 386.546 3.352 20 10 GGCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3ccccc3Cn3cccn3)c2)CC1 ZINC000274438115 1435070854 /nfs/dbraw/zinc/07/08/54/1435070854.db2.gz DAYYVIQULHRTKL-UHFFFAOYSA-N 1 0 389.503 3.326 20 10 GGCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3cc(OC)c(OC)cc3OC)c2)CC1 ZINC000274445305 1435071662 /nfs/dbraw/zinc/07/16/62/1435071662.db2.gz GARNLSUBOLJFTL-UHFFFAOYSA-N 1 0 399.491 3.107 20 10 GGCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3cccc(Cn4ccnc4)c3)c2)CC1 ZINC000274483037 1435073851 /nfs/dbraw/zinc/07/38/51/1435073851.db2.gz PFTADTIKCXCWAB-UHFFFAOYSA-N 1 0 389.503 3.326 20 10 GGCDRO CC[C@H]([NH2+]Cc1ccccc1OCC(=O)NC[C@@H]1CCCO1)c1ccccc1O ZINC000274861252 1435098734 /nfs/dbraw/zinc/09/87/34/1435098734.db2.gz CWYNHRRCUWFBGK-ICSRJNTNSA-N 1 0 398.503 3.307 20 10 GGCDRO CC[C@H]([NH2+]Cc1ccccc1OCC(=O)NC[C@H]1CCCO1)c1ccccc1O ZINC000274861254 1435098822 /nfs/dbraw/zinc/09/88/22/1435098822.db2.gz CWYNHRRCUWFBGK-QUCCMNQESA-N 1 0 398.503 3.307 20 10 GGCDRO COc1cc(O)c(C[NH2+]CC2=CCN(C(=O)OC(C)(C)C)CC2)cc1OC ZINC000275147974 1435119115 /nfs/dbraw/zinc/11/91/15/1435119115.db2.gz REVTXMMXEXYNPB-UHFFFAOYSA-N 1 0 378.469 3.066 20 10 GGCDRO C[NH+](C)CCc1ccc(CNC(=O)NCc2ccc(N3CC=CC3)cc2)cc1 ZINC000276018073 1435185804 /nfs/dbraw/zinc/18/58/04/1435185804.db2.gz BTRQVPGCOJAUTB-UHFFFAOYSA-N 1 0 378.520 3.166 20 10 GGCDRO CC(C)(C)S(=O)(=O)N1CCC([NH2+]Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000276861246 1435238187 /nfs/dbraw/zinc/23/81/87/1435238187.db2.gz BEXCLLWPPCQPAT-UHFFFAOYSA-N 1 0 393.597 3.359 20 10 GGCDRO C[NH+](C)[C@H](CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O)c1cccs1 ZINC000277279237 1435288902 /nfs/dbraw/zinc/28/89/02/1435288902.db2.gz ISMVMFLTJMPLTP-CQSZACIVSA-N 1 0 393.896 3.174 20 10 GGCDRO CCN(CC(=O)Nc1c(C)cccc1C)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278173498 1435366350 /nfs/dbraw/zinc/36/63/50/1435366350.db2.gz FZNCQRVNMHODJJ-UHFFFAOYSA-N 1 0 387.436 3.386 20 10 GGCDRO COc1cc(O)c(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)cc1OC ZINC000278226607 1435371455 /nfs/dbraw/zinc/37/14/55/1435371455.db2.gz JWRJSKPHZYINES-HIFRSBDPSA-N 1 0 380.485 3.287 20 10 GGCDRO COc1c([O-])c(C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000278512513 1435396191 /nfs/dbraw/zinc/39/61/91/1435396191.db2.gz QCUBAMVOGHYWQM-QAPCUYQASA-N 1 0 385.464 3.309 20 10 GGCDRO COc1c([O-])c(C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000278512503 1435396280 /nfs/dbraw/zinc/39/62/80/1435396280.db2.gz QCUBAMVOGHYWQM-MAUKXSAKSA-N 1 0 385.464 3.309 20 10 GGCDRO CN(C)c1ccc(C[NH2+]CCc2nnc3n2CCCCC3)c(C(F)(F)F)c1 ZINC000279832038 1435548288 /nfs/dbraw/zinc/54/82/88/1435548288.db2.gz GZIFMLOXNWCGBO-UHFFFAOYSA-N 1 0 381.446 3.422 20 10 GGCDRO CC[C@@H]([NH2+]Cc1ccc(C(=O)N2CCN(C)CC2)cc1)c1ccc(C)cc1O ZINC000279928182 1435564862 /nfs/dbraw/zinc/56/48/62/1435564862.db2.gz AMXGFLHBHDXILD-OAQYLSRUSA-N 1 0 381.520 3.329 20 10 GGCDRO CN(C)c1ccc(C[NH+]2CCC([C@H](O)c3nccn3C)CC2)c(C(F)(F)F)c1 ZINC000280097000 1435592178 /nfs/dbraw/zinc/59/21/78/1435592178.db2.gz BEPZRTCOGLMJDE-SFHVURJKSA-N 1 0 396.457 3.451 20 10 GGCDRO CC[C@H]([NH2+]Cc1ccc(OCC(=O)N(C)C)c(OC)c1)c1ccc(C)cc1O ZINC000280132156 1435597367 /nfs/dbraw/zinc/59/73/67/1435597367.db2.gz OZSIGPVTWIWLEV-SFHVURJKSA-N 1 0 386.492 3.417 20 10 GGCDRO C[C@@H]([NH2+]C[C@@H]1CCn2ncc(C(N)=O)c2C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000281244067 1435800430 /nfs/dbraw/zinc/80/04/30/1435800430.db2.gz VKHIEYISJGPHRB-HZPDHXFCSA-N 1 0 399.514 3.025 20 10 GGCDRO C[C@@H]([NH2+]C[C@@H]1CCn2ncc(C(N)=O)c2C1)c1ccc(N2CCCCCC2)cc1 ZINC000281314058 1435803555 /nfs/dbraw/zinc/80/35/55/1435803555.db2.gz ZHXXZIGHNCAXPD-QZTJIDSGSA-N 1 0 395.551 3.276 20 10 GGCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@H](C)c1ccccc1SC)cc2=O ZINC000282069592 1435833313 /nfs/dbraw/zinc/83/33/13/1435833313.db2.gz NEAGRESHJHAUDD-GFCCVEGCSA-N 1 0 386.477 3.184 20 10 GGCDRO CCCC[N@H+](Cc1ccccc1O)C[C@@](C)(O)c1ccc(S(C)(=O)=O)cc1 ZINC000282481787 1435848766 /nfs/dbraw/zinc/84/87/66/1435848766.db2.gz OYZMRYLXZKHLGU-OAQYLSRUSA-N 1 0 391.533 3.306 20 10 GGCDRO C[C@@H]([NH2+]CC1(OCCO)CCOCC1)c1ccc(N2CCCCCC2)cc1 ZINC000282744534 1435858694 /nfs/dbraw/zinc/85/86/94/1435858694.db2.gz NIFYJQMSCAIWFV-LJQANCHMSA-N 1 0 376.541 3.276 20 10 GGCDRO COc1ccc(N2CC[NH+](C[C@@H]3CCN(C(=O)c4ccccc4)C3)CC2)cc1F ZINC000283225646 1435880121 /nfs/dbraw/zinc/88/01/21/1435880121.db2.gz TVUAXLYQDXHWRM-SFHVURJKSA-N 1 0 397.494 3.119 20 10 GGCDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000283653623 1435899523 /nfs/dbraw/zinc/89/95/23/1435899523.db2.gz UCYYLVRULOIYHQ-NRFANRHFSA-N 1 0 393.531 3.117 20 10 GGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H]2CCC(=O)N(C3CC3)[C@H]2c2ccnn2C)cc1 ZINC000284492629 1436025740 /nfs/dbraw/zinc/02/57/40/1436025740.db2.gz ADXLIRRCTAYMBZ-AYPBNUJASA-N 1 0 395.551 3.422 20 10 GGCDRO Cn1nccc1[C@H]1[C@H]([NH2+]Cc2cc(-c3ccccc3)ccc2O)CCC(=O)N1C ZINC000284713692 1436042237 /nfs/dbraw/zinc/04/22/37/1436042237.db2.gz ZQTOSGWKCUKEKM-AUSIDOKSSA-N 1 0 390.487 3.244 20 10 GGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC(=O)N(C3CC3)[C@H]2c2ccnn2C)c(O)c1C ZINC000284761554 1436047373 /nfs/dbraw/zinc/04/73/73/1436047373.db2.gz GWAOYIJVBMRRQY-RRMPHLOHSA-N 1 0 382.508 3.288 20 10 GGCDRO C[C@H]([NH2+][C@@H]1CCC(=O)N(C2CC2)[C@H]1c1ccnn1C)c1cc(Cl)ccc1O ZINC000284766373 1436047993 /nfs/dbraw/zinc/04/79/93/1436047993.db2.gz HHJBJDVNCLCGSA-BXJCWQANSA-N 1 0 388.899 3.324 20 10 GGCDRO C[C@H]([NH2+][C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C)c1ccc(N2CCCCC2)cc1 ZINC000284804318 1436051533 /nfs/dbraw/zinc/05/15/33/1436051533.db2.gz KSPULORYFUZYIS-XTQVGHSUSA-N 1 0 395.551 3.423 20 10 GGCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000823726990 946471793 /nfs/dbraw/zinc/47/17/93/946471793.db2.gz KRKARHBFXWZKMZ-UHFFFAOYSA-N 1 0 387.443 3.408 20 10 GGCDRO CC[N@H+](Cc1cc(OC)c(OC)cc1O)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825428961 947189645 /nfs/dbraw/zinc/18/96/45/947189645.db2.gz WSJLDOXVUDBIHW-ZDUSSCGKSA-N 1 0 383.452 3.173 20 10 GGCDRO CC(C)c1ccc(O)c(C[NH+]2CCN(c3ccccc3-c3nn[nH]n3)CC2)c1 ZINC001574417479 948769493 /nfs/dbraw/zinc/76/94/93/948769493.db2.gz OOPPUOJASJKIMV-UHFFFAOYSA-N 1 0 378.480 3.018 20 10 GGCDRO C[C@H]([NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)c1cc(C(=O)[O-])ccc1O ZINC001593299003 994718312 /nfs/dbraw/zinc/71/83/12/994718312.db2.gz PDSMNWFYXQGWJQ-HNNXBMFYSA-N 1 0 384.476 3.414 20 10 GGCDRO C[C@@H]1CCCN(c2ccc(C[NH2+]C3CC[NH+](CC(=O)[O-])CC3)cc2Cl)C1 ZINC001594388935 999472584 /nfs/dbraw/zinc/47/25/84/999472584.db2.gz KAUSJZYDZMMFMR-OAHLLOKOSA-N 1 0 379.932 3.215 20 10 GGCDRO COc1ccc(C[NH2+][C@H](CO)Cc2c[nH]c3ccccc23)cc1Cn1cccn1 ZINC000873052785 1126117537 /nfs/dbraw/zinc/11/75/37/1126117537.db2.gz WNKAYFKBIPOOAM-FQEVSTJZSA-N 1 0 390.487 3.115 20 10 GGCDRO COc1ccc(C[NH2+][C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)c(O)c1OC ZINC001334182358 1126179301 /nfs/dbraw/zinc/17/93/01/1126179301.db2.gz HWAWIPNOPLORDF-KSSFIOAISA-N 1 0 385.382 3.034 20 10 GGCDRO C[C@@H]1CCCCN1C(=O)CN1CC[NH+](Cc2c(O)ccc3ccccc32)CC1 ZINC000029887949 204893562 /nfs/dbraw/zinc/89/35/62/204893562.db2.gz NJPMHTDGBLIOGD-GOSISDBHSA-N 1 0 381.520 3.064 20 10 GGCDRO Cc1cc(C[NH2+]Cc2cc(Br)ccc2O)nc(N2CCCC2)n1 ZINC000292759176 565133262 /nfs/dbraw/zinc/13/32/62/565133262.db2.gz JGOOEFZWSFXKOB-UHFFFAOYSA-N 1 0 377.286 3.143 20 10 GGCDRO Cc1cc(Br)cc(C[NH2+][C@H](c2nccn2C)C(C)(C)CO)c1O ZINC000295015589 565240643 /nfs/dbraw/zinc/24/06/43/565240643.db2.gz JZYDCYSOFSZNOE-OAHLLOKOSA-N 1 0 382.302 3.046 20 10 GGCDRO COc1cc(Br)cc(C[N@@H+]2CCSC3(CCOCC3)C2)c1O ZINC000186483600 565263298 /nfs/dbraw/zinc/26/32/98/565263298.db2.gz IYAFIJJRXPKDRG-UHFFFAOYSA-N 1 0 388.327 3.261 20 10 GGCDRO C[C@@H]([NH2+]Cc1ccc(NS(C)(=O)=O)cc1)c1ccc(Br)cc1O ZINC000273437547 565321051 /nfs/dbraw/zinc/32/10/51/565321051.db2.gz XMCQAUZBHWEYDB-LLVKDONJSA-N 1 0 399.310 3.377 20 10 GGCDRO CCOC(=O)C1([S@](C)=O)CC[NH+]([C@H](CC)c2cccc(Cl)c2[O-])CC1 ZINC000296556007 565322916 /nfs/dbraw/zinc/32/29/16/565322916.db2.gz RUVKMEDUXLSHPP-BZQUYTCOSA-N 1 0 387.929 3.273 20 10 GGCDRO Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2COC3(CCOCC3)O2)c1O ZINC000187487384 565335790 /nfs/dbraw/zinc/33/57/90/565335790.db2.gz JWNADKASOZIIFC-GXTWGEPZSA-N 1 0 386.286 3.036 20 10 GGCDRO CCn1ccnc1[C@H]1OCC[C@@H]1[NH2+]Cc1cc(Br)cc(C)c1O ZINC000275577455 565419181 /nfs/dbraw/zinc/41/91/81/565419181.db2.gz OUZXLAKHCABSPS-HOCLYGCPSA-N 1 0 380.286 3.299 20 10 GGCDRO C[C@H]([NH2+]C1CCN(c2cccnn2)CC1)c1ccc(Br)cc1O ZINC000277154288 565478644 /nfs/dbraw/zinc/47/86/44/565478644.db2.gz QMZDWNCSMVWLRR-LBPRGKRZSA-N 1 0 377.286 3.264 20 10 GGCDRO CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1cc(Br)ccc1O ZINC000190425697 565530964 /nfs/dbraw/zinc/53/09/64/565530964.db2.gz IIMAXHLDZSBEPY-HOCLYGCPSA-N 1 0 380.286 3.381 20 10 GGCDRO COc1c(O)c(CN(C)Cc2cc(Br)cn2C)ccc1[N+](=O)[O-] ZINC000278846936 565580955 /nfs/dbraw/zinc/58/09/55/565580955.db2.gz KSIHOVKHLICWDD-UHFFFAOYSA-N 1 0 384.230 3.042 20 10 GGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CC2(S(C)(=O)=O)CCC2)c1O ZINC000280921898 565703656 /nfs/dbraw/zinc/70/36/56/565703656.db2.gz HKAJCVDLOMHMLT-LLVKDONJSA-N 1 0 376.316 3.081 20 10 GGCDRO CC[C@@H]([NH2+]CC1(S(C)(=O)=O)CCC1)c1cc(Br)ccc1O ZINC000280988327 565706656 /nfs/dbraw/zinc/70/66/56/565706656.db2.gz MNEMHYQSGJRAKZ-CYBMUJFWSA-N 1 0 376.316 3.163 20 10 GGCDRO CN1C(=O)/C(=C/c2ccc(N3CCCC3)nc2)c2cc(Br)cnc21 ZINC000281189972 565716643 /nfs/dbraw/zinc/71/66/43/565716643.db2.gz RFGPPXWQLOUCAE-OVCLIPMQSA-N 1 0 385.265 3.356 20 10 GGCDRO Cc1cc(Br)cc(C[NH2+][C@]2(CO)CCOc3ccccc32)c1O ZINC000282112876 565764846 /nfs/dbraw/zinc/76/48/46/565764846.db2.gz AHEDBYXPIPVPIX-SFHVURJKSA-N 1 0 378.266 3.223 20 10 GGCDRO C[C@H]([NH2+]CC1(S(C)(=O)=O)CCCC1)c1cc(Br)ccc1O ZINC000285577548 565914831 /nfs/dbraw/zinc/91/48/31/565914831.db2.gz GYJPREYCPARHRG-NSHDSACASA-N 1 0 376.316 3.163 20 10 GGCDRO O=C1C[C@H](C[NH2+]Cc2cc(Br)ccc2O)CN1Cc1ccccc1 ZINC000179051194 565955769 /nfs/dbraw/zinc/95/57/69/565955769.db2.gz AXNHPXRZMAKELS-OAHLLOKOSA-N 1 0 389.293 3.293 20 10 GGCDRO O=S(=O)(NC1CC[NH+](Cc2cc(Cl)ccc2O)CC1)c1cccs1 ZINC000179872296 566014830 /nfs/dbraw/zinc/01/48/30/566014830.db2.gz BJPZWVJSESNSMJ-UHFFFAOYSA-N 1 0 386.926 3.050 20 10 GGCDRO C[C@H]([NH2+][C@@H]1CCCc2c1cnn2CCO)c1cc(Br)ccc1O ZINC000363862969 566024092 /nfs/dbraw/zinc/02/40/92/566024092.db2.gz ZUCSGWJBPBIWNO-XHDPSFHLSA-N 1 0 380.286 3.072 20 10 GGCDRO Cc1cc(Br)cc(C[NH+]2CCC(N3CCCCC3=O)CC2)c1O ZINC000180522073 566069931 /nfs/dbraw/zinc/06/99/31/566069931.db2.gz HSEUFRNMSVYVKI-UHFFFAOYSA-N 1 0 381.314 3.440 20 10 GGCDRO COc1cc(C[NH2+]Cc2ccccc2O)cc(I)c1OC ZINC000263653414 566191743 /nfs/dbraw/zinc/19/17/43/566191743.db2.gz DZQVYNBBQGNLSL-UHFFFAOYSA-N 1 0 399.228 3.304 20 10 GGCDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@@H](c3ccnn3C)C2)c1O ZINC000367467724 566202450 /nfs/dbraw/zinc/20/24/50/566202450.db2.gz UTURDEGLBMUEHL-GFCCVEGCSA-N 1 0 380.286 3.276 20 10 GGCDRO COc1cc(Br)cc(C[N@@H+]2CC[C@](CO)(c3ccccc3)C2)c1O ZINC000368261769 566235074 /nfs/dbraw/zinc/23/50/74/566235074.db2.gz SSFRGFNOYQOXEM-IBGZPJMESA-N 1 0 392.293 3.299 20 10 GGCDRO Cc1cc(Br)cc(C[NH+]2CCC([C@H](O)c3ncc[nH]3)CC2)c1O ZINC000369140235 566249927 /nfs/dbraw/zinc/24/99/27/566249927.db2.gz PYJWICHDEBLKDF-INIZCTEOSA-N 1 0 380.286 3.132 20 10 GGCDRO COc1ccc(N2CCN(C(=O)C[N@@H+]3CCC[C@@H]3c3ccccc3)CC2)cc1 ZINC000012596104 570884608 /nfs/dbraw/zinc/88/46/08/570884608.db2.gz ZXXJYUVDCNQIKG-JOCHJYFZSA-N 1 0 379.504 3.181 20 10 GGCDRO COc1ccc(N2CCC([NH2+][C@H](C)c3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000821831705 599373571 /nfs/dbraw/zinc/37/35/71/599373571.db2.gz JZRKWPGOHKMMDL-OAHLLOKOSA-N 1 0 378.480 3.195 20 10 GGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820411207 607015442 /nfs/dbraw/zinc/01/54/42/607015442.db2.gz HGDUAUDOUUVFOQ-CABCVRRESA-N 1 0 396.470 3.254 20 10 GGCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)[C@H](C)c1cccc(Cl)c1)cc2=O ZINC000053233964 1406337652 /nfs/dbraw/zinc/33/76/52/1406337652.db2.gz DFVMYSQDRCJDEC-GFCCVEGCSA-N 1 0 388.855 3.458 20 10 GGCDRO COc1ccc(N2CC[NH+](CCCNC(=O)CSc3ccccc3)CC2)cc1 ZINC000053639090 1406467743 /nfs/dbraw/zinc/46/77/43/1406467743.db2.gz OEHAMXCQNVJYOY-UHFFFAOYSA-N 1 0 399.560 3.116 20 10 GGCDRO COc1ccc(N2CCC[N@@H+]([C@@H](C)C(=O)N3CCc4sccc4C3)CC2)cc1 ZINC000053774305 1406508198 /nfs/dbraw/zinc/50/81/98/1406508198.db2.gz UMPHZILXYNJCCL-KRWDZBQOSA-N 1 0 399.560 3.242 20 10 GGCDRO CC(C)[NH+](CCNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)C(C)C ZINC000053958006 1406569721 /nfs/dbraw/zinc/56/97/21/1406569721.db2.gz UYNKHOFAXJNYPI-IBGZPJMESA-N 1 0 377.529 3.202 20 10 GGCDRO CC[C@@H]1CCCCN1C(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000053999544 1406584175 /nfs/dbraw/zinc/58/41/75/1406584175.db2.gz QRMYFACXWOQMFQ-LJQANCHMSA-N 1 0 388.556 3.181 20 10 GGCDRO O=S(=O)(c1ccccc1C[NH2+]Cc1ccc2c(c1)CCO2)N1CCCCC1 ZINC000054174040 1406640887 /nfs/dbraw/zinc/64/08/87/1406640887.db2.gz SSPOGJCPMCMANZ-UHFFFAOYSA-N 1 0 386.517 3.086 20 10 GGCDRO COc1ccc(N2CC[NH+](C[C@H](O)COc3c(C)ccc(C)c3C)CC2)cc1 ZINC000054771878 1406821410 /nfs/dbraw/zinc/82/14/10/1406821410.db2.gz JXVDJQPCPDVPCQ-NRFANRHFSA-N 1 0 384.520 3.182 20 10 GGCDRO COc1ccc(N2CCN(CCC[NH2+]Cc3ccc(OC)c(OC)c3)CC2)cc1 ZINC000015186074 1399144059 /nfs/dbraw/zinc/14/40/59/1399144059.db2.gz LNMHWSOWGZUXNN-UHFFFAOYSA-N 1 0 399.535 3.014 20 10 GGCDRO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000016386844 1399236994 /nfs/dbraw/zinc/23/69/94/1399236994.db2.gz FHBDBDQUSQSDMR-SFHVURJKSA-N 1 0 383.540 3.486 20 10 GGCDRO COc1ccc(N2CC[NH+](CCCNC(=O)Nc3cccc(C)c3)CC2)cc1 ZINC000018176757 1399305926 /nfs/dbraw/zinc/30/59/26/1399305926.db2.gz DXBVSPZFSQZCCC-UHFFFAOYSA-N 1 0 382.508 3.337 20 10 GGCDRO C[C@@H]1C[C@@H](C)CN(C(=O)CN2CC[NH+](Cc3c(O)ccc4ccccc43)CC2)C1 ZINC000022946005 1399519383 /nfs/dbraw/zinc/51/93/83/1399519383.db2.gz GWTJHNCDWMJCHV-RTBURBONSA-N 1 0 395.547 3.168 20 10 GGCDRO COc1ccc(N2CC[NH+](CCCNC(=O)CCc3cccs3)CC2)cc1 ZINC000024088852 1399601472 /nfs/dbraw/zinc/60/14/72/1399601472.db2.gz NIWYERHUHVVULV-UHFFFAOYSA-N 1 0 387.549 3.018 20 10 GGCDRO COc1ccc(N2CC[NH+](CCCNc3cnc4ccccc4n3)CC2)cc1 ZINC000026137252 1399864094 /nfs/dbraw/zinc/86/40/94/1399864094.db2.gz SLNSXTGKFLUMAE-UHFFFAOYSA-N 1 0 377.492 3.263 20 10 GGCDRO COc1ccc(N2CCC[N@H+](CCC(=O)N3CCc4sccc4C3)CC2)cc1 ZINC000055905739 1407128387 /nfs/dbraw/zinc/12/83/87/1407128387.db2.gz JUWPZSGILYPHEV-UHFFFAOYSA-N 1 0 399.560 3.244 20 10 GGCDRO COc1ccc(N2CC[NH+](CCCNC(=O)N[C@H]3CCCC[C@H]3C)CC2)cc1 ZINC000043047792 1403696341 /nfs/dbraw/zinc/69/63/41/1403696341.db2.gz PVBNMGYYCXOKPC-NQIIRXRSSA-N 1 0 388.556 3.085 20 10 GGCDRO COc1ccc(N2CC[NH+](CCCNC(=O)NCc3ccccc3C)CC2)cc1 ZINC000045578510 1404151247 /nfs/dbraw/zinc/15/12/47/1404151247.db2.gz AQSQFFFJJNXCRJ-UHFFFAOYSA-N 1 0 396.535 3.015 20 10 GGCDRO COc1ccc(N2CC[NH+](CCCNC(=O)NC3CCCCCC3)CC2)cc1 ZINC000045578714 1404151262 /nfs/dbraw/zinc/15/12/62/1404151262.db2.gz QIUHBKUPTCVOHW-UHFFFAOYSA-N 1 0 388.556 3.229 20 10 GGCDRO COc1ccc(N2CC[NH+](CCCNC(=O)NCc3cccc(C)c3)CC2)cc1 ZINC000045578502 1404151453 /nfs/dbraw/zinc/15/14/53/1404151453.db2.gz QBAPLPVZSQVOJE-UHFFFAOYSA-N 1 0 396.535 3.015 20 10 GGCDRO O=C(NCc1ccc(N2CCCC2)cc1)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000045755080 1404195306 /nfs/dbraw/zinc/19/53/06/1404195306.db2.gz RLSYSUYRPKAKKO-UHFFFAOYSA-N 1 0 393.535 3.146 20 10 GGCDRO C[NH+](C)CCOc1cccc(CNC(=O)NCc2ccc(N3CCCC3)cc2)c1 ZINC000045814190 1404213382 /nfs/dbraw/zinc/21/33/82/1404213382.db2.gz ZDAIYXIUMTZBCG-UHFFFAOYSA-N 1 0 396.535 3.227 20 10 GGCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)Cc1ccc3ccccc3c1)cc2=O ZINC000047279323 1404785030 /nfs/dbraw/zinc/78/50/30/1404785030.db2.gz SAMAPNCLONZIMW-UHFFFAOYSA-N 1 0 390.443 3.397 20 10 GGCDRO COc1cc2c(cc1C[NH2+]Cc1ccc(N3CCOCC3)c(F)c1)O[C@H](C)C2 ZINC000048748727 1405281047 /nfs/dbraw/zinc/28/10/47/1405281047.db2.gz MGOVWXSGDUXPOT-OAHLLOKOSA-N 1 0 386.467 3.284 20 10 GGCDRO CCOCc1cc(C[NH2+]C2CCN(C(=O)c3ccncc3)CC2)ccc1OC ZINC000051188518 1405741070 /nfs/dbraw/zinc/74/10/70/1405741070.db2.gz VFRFLJXTDZYNES-UHFFFAOYSA-N 1 0 383.492 3.021 20 10 GGCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)c1O ZINC000175575284 1427819724 /nfs/dbraw/zinc/81/97/24/1427819724.db2.gz VRXWERISZUZVNR-HNNXBMFYSA-N 1 0 386.471 3.431 20 10 GGCDRO Cc1ccc([C@H](C)[N@H+](C)CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000051907281 1405884386 /nfs/dbraw/zinc/88/43/86/1405884386.db2.gz DGFNPJVELXVJIQ-SFHVURJKSA-N 1 0 399.510 3.280 20 10 GGCDRO COc1ccc(N2CCCN(C(=O)NC3CC[NH+](CC(C)C)CC3)CC2)cc1 ZINC000056831029 1407447157 /nfs/dbraw/zinc/44/71/57/1407447157.db2.gz KTJPRFQOJGUYHG-UHFFFAOYSA-N 1 0 388.556 3.037 20 10 GGCDRO CN(C)c1ccc(CNC(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1F ZINC000058558909 1407844637 /nfs/dbraw/zinc/84/46/37/1407844637.db2.gz HASRKIKJKURNEQ-UHFFFAOYSA-N 1 0 384.499 3.487 20 10 GGCDRO COc1ccc(N2CC[NH+](CCCNC(=O)N(C)[C@@H](C)C3(C)CC3)CC2)cc1 ZINC000176365063 1428273831 /nfs/dbraw/zinc/27/38/31/1428273831.db2.gz CLAYZPNIIBKHHY-SFHVURJKSA-N 1 0 388.556 3.037 20 10 GGCDRO COCCn1c(C)cc(/C=C2\SC(=S)N(C3CC[NH+](C)CC3)C2=O)c1C ZINC000063824074 1408420962 /nfs/dbraw/zinc/42/09/62/1408420962.db2.gz JPOUYLMNAAATRE-ATVHPVEESA-N 1 0 393.578 3.047 20 10 GGCDRO Cc1cc(O)c(C[N@H+](C)CCCOc2ccc(S(C)(=O)=O)cc2)cc1C ZINC000064942323 1408630563 /nfs/dbraw/zinc/63/05/63/1408630563.db2.gz DDWSGYWIXGQRRT-UHFFFAOYSA-N 1 0 377.506 3.313 20 10 GGCDRO C[C@@H](NC(=O)NCCC[NH+]1CCC(C)CC1)c1ccc(N2CCOCC2)cc1 ZINC000065435497 1408668848 /nfs/dbraw/zinc/66/88/48/1408668848.db2.gz TUQXBCJWWJLQJW-LJQANCHMSA-N 1 0 388.556 3.005 20 10 GGCDRO CN(C)c1ccc(CN(C)C(=O)C[NH+]2CCC(N(C)c3ccccc3)CC2)cc1 ZINC000065955972 1408762051 /nfs/dbraw/zinc/76/20/51/1408762051.db2.gz UCQWXUWYLHDBTB-UHFFFAOYSA-N 1 0 394.563 3.312 20 10 GGCDRO CCN(CC)c1ccc(CNC(=O)N2CCN(c3cc[nH+]cc3)CC2)cc1F ZINC000066927083 1408954171 /nfs/dbraw/zinc/95/41/71/1408954171.db2.gz PJULHQSIQDYZBV-UHFFFAOYSA-N 1 0 385.487 3.099 20 10 GGCDRO NC(=O)[C@@H]([NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccc(F)cc1 ZINC000066940612 1408958767 /nfs/dbraw/zinc/95/87/67/1408958767.db2.gz AZWHVFYRNUJUNY-SFHVURJKSA-N 1 0 393.409 3.212 20 10 GGCDRO CCCCNC(=O)c1ccc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000066990208 1408973904 /nfs/dbraw/zinc/97/39/04/1408973904.db2.gz RKERYNHAQWCHFJ-UHFFFAOYSA-N 1 0 399.510 3.482 20 10 GGCDRO Cc1ccc(S(=O)(=O)NCC[NH2+]Cc2ccc(N3CCCCC3)cc2)cc1 ZINC000067450459 1409121525 /nfs/dbraw/zinc/12/15/25/1409121525.db2.gz AYFCZVLXYMUHGB-UHFFFAOYSA-N 1 0 387.549 3.053 20 10 GGCDRO C[C@@H](CNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)[NH+]1CCC(C)CC1 ZINC000067707921 1409211779 /nfs/dbraw/zinc/21/17/79/1409211779.db2.gz BFVGFBFYEIHMKS-ICSRJNTNSA-N 1 0 389.540 3.203 20 10 GGCDRO C[C@@H](NC(=O)NC[C@H](C)C[NH+]1CCCCC1)c1ccc(N2CCOCC2)cc1 ZINC000068549123 1409435295 /nfs/dbraw/zinc/43/52/95/1409435295.db2.gz SFANNNMIFRZEJW-RBUKOAKNSA-N 1 0 388.556 3.005 20 10 GGCDRO CC[NH+](CC)C1CCN(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)CC1 ZINC000068549175 1409435304 /nfs/dbraw/zinc/43/53/04/1409435304.db2.gz BIFYHMQAXOKOKT-GOSISDBHSA-N 1 0 388.556 3.100 20 10 GGCDRO C[C@H](NC(=O)NCCC[N@@H+]1CCCC[C@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000068548905 1409435366 /nfs/dbraw/zinc/43/53/66/1409435366.db2.gz SQXBUAIPPDZANQ-MOPGFXCFSA-N 1 0 388.556 3.148 20 10 GGCDRO C[C@H](NC(=O)NCc1cccc(C[NH+](C)C)c1)c1ccc(N2CCOCC2)cc1 ZINC000068549335 1409435384 /nfs/dbraw/zinc/43/53/84/1409435384.db2.gz GGVDEBYLSUURCS-SFHVURJKSA-N 1 0 396.535 3.145 20 10 GGCDRO C[C@@H](CNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)C[NH+]1CCCCC1 ZINC000068549119 1409435488 /nfs/dbraw/zinc/43/54/88/1409435488.db2.gz SFANNNMIFRZEJW-OALUTQOASA-N 1 0 388.556 3.005 20 10 GGCDRO CCC[N@H+](CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1)Cc1ccccc1O ZINC000068973598 1409535603 /nfs/dbraw/zinc/53/56/03/1409535603.db2.gz GRVFJCIWYDZXQC-OAQYLSRUSA-N 1 0 386.467 3.343 20 10 GGCDRO COc1ccc(N2CCC([NH2+][C@@H](C(=O)NC3CC3)c3ccc(F)cc3)CC2)cc1 ZINC000069163676 1409578799 /nfs/dbraw/zinc/57/87/99/1409578799.db2.gz KBWWILBIHAACFL-JOCHJYFZSA-N 1 0 397.494 3.413 20 10 GGCDRO Cc1ccc(C)n1-c1ccc(C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000069746049 1409689618 /nfs/dbraw/zinc/68/96/18/1409689618.db2.gz QQGWSNHZLGDWTG-HXUWFJFHSA-N 1 0 381.520 3.279 20 10 GGCDRO COc1ccc(N2CCC(NC(=O)NCCC[N@@H+]3CCCC[C@@H]3C)CC2)cc1 ZINC000072083776 1409847414 /nfs/dbraw/zinc/84/74/14/1409847414.db2.gz DDCGWNVNALRAEJ-SFHVURJKSA-N 1 0 388.556 3.228 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@H](C)c3cccs3)cc2F)CC1 ZINC000078117520 1409909781 /nfs/dbraw/zinc/90/97/81/1409909781.db2.gz FHHZDJJIHIVXFA-OAHLLOKOSA-N 1 0 375.513 3.449 20 10 GGCDRO C[C@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)C(C)(C)C[NH+](C)C ZINC000085359633 1410039806 /nfs/dbraw/zinc/03/98/06/1410039806.db2.gz HZFSGTUGZFLWEM-INIZCTEOSA-N 1 0 378.586 3.015 20 10 GGCDRO C[C@@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)C(C)(C)C[NH+](C)C ZINC000085359635 1410040040 /nfs/dbraw/zinc/04/00/40/1410040040.db2.gz HZFSGTUGZFLWEM-MRXNPFEDSA-N 1 0 378.586 3.015 20 10 GGCDRO C[C@H]([NH2+]C[C@H]1CCCN1S(C)(=O)=O)c1ccc(N2CCCCCC2)cc1 ZINC000090799390 1410067156 /nfs/dbraw/zinc/06/71/56/1410067156.db2.gz XMCSPNAAFQVVRN-FXAWDEMLSA-N 1 0 379.570 3.142 20 10 GGCDRO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)nc1 ZINC000092004733 1410096375 /nfs/dbraw/zinc/09/63/75/1410096375.db2.gz HLFZKSYOXPLMJZ-HXUWFJFHSA-N 1 0 394.519 3.077 20 10 GGCDRO Cc1cc(C(=O)NCCC[NH+]2CCC(O)CC2)c(C)n1-c1cc(C)cc(C)c1 ZINC000176778986 1428457533 /nfs/dbraw/zinc/45/75/33/1428457533.db2.gz NOMIITFKKHCUNP-UHFFFAOYSA-N 1 0 383.536 3.288 20 10 GGCDRO COc1ccc(N2CCC[N@H+](Cc3ccc(-n4cncn4)c(C)c3)CC2)cc1 ZINC000092380630 1410148249 /nfs/dbraw/zinc/14/82/49/1410148249.db2.gz IWSOZPFIEVTNAY-UHFFFAOYSA-N 1 0 377.492 3.297 20 10 GGCDRO COc1ccc(N2CCC[N@H+](Cc3c(OC)cc(OC)cc3OC)CC2)cc1 ZINC000092380783 1410148511 /nfs/dbraw/zinc/14/85/11/1410148511.db2.gz PFXWWBHLZMDSSA-UHFFFAOYSA-N 1 0 386.492 3.433 20 10 GGCDRO COc1ccc(N2CCC[N@H+](Cc3cc(OC)c(OC)cc3OC)CC2)cc1 ZINC000092380746 1410148635 /nfs/dbraw/zinc/14/86/35/1410148635.db2.gz RUAZRUIQLREVIS-UHFFFAOYSA-N 1 0 386.492 3.433 20 10 GGCDRO C[N@@H+](Cc1cc(Br)ccc1O)C[C@@H](O)COCc1ccccc1 ZINC000092472055 1410160510 /nfs/dbraw/zinc/16/05/10/1410160510.db2.gz IUCJOJSJAUNHGW-QGZVFWFLSA-N 1 0 380.282 3.164 20 10 GGCDRO O=C(Cc1cccc(F)c1)N1CCC[N@@H+](Cc2cc(Cl)ccc2O)CC1 ZINC000092535108 1410169368 /nfs/dbraw/zinc/16/93/68/1410169368.db2.gz JLSJOONBVXHYPR-UHFFFAOYSA-N 1 0 376.859 3.462 20 10 GGCDRO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000092567796 1410174673 /nfs/dbraw/zinc/17/46/73/1410174673.db2.gz FKOSTEOKKNKWJA-UHFFFAOYSA-N 1 0 383.467 3.183 20 10 GGCDRO O=C(Nc1ccc(F)cc1)N[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000092704632 1410190220 /nfs/dbraw/zinc/19/02/20/1410190220.db2.gz FLJORKRMRBXRGO-HXUWFJFHSA-N 1 0 398.482 3.058 20 10 GGCDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@H](CNC(=O)C(C)C)C2)c1O ZINC000092706043 1410191753 /nfs/dbraw/zinc/19/17/53/1410191753.db2.gz CAYOMJFVOXILQC-CYBMUJFWSA-N 1 0 399.329 3.148 20 10 GGCDRO COCCc1nc(C)c([C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2)s1 ZINC000092740484 1410196886 /nfs/dbraw/zinc/19/68/86/1410196886.db2.gz MQFHVEWLLVSFEY-OAHLLOKOSA-N 1 0 375.538 3.328 20 10 GGCDRO CCS(=O)(=O)N(C)C1CC[NH+](Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000093320978 1410234429 /nfs/dbraw/zinc/23/44/29/1410234429.db2.gz QDFLJJJKHYLMIG-UHFFFAOYSA-N 1 0 388.533 3.305 20 10 GGCDRO COc1ccc([C@@H](CO)[N@H+](C)Cc2cc(Br)cc(OC)c2O)cc1 ZINC000093415340 1410244273 /nfs/dbraw/zinc/24/42/73/1410244273.db2.gz WJSOFFNMWUZGKJ-MRXNPFEDSA-N 1 0 396.281 3.337 20 10 GGCDRO O=[N+]([O-])c1cc(Cl)cc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1[O-] ZINC000093734989 1410262043 /nfs/dbraw/zinc/26/20/43/1410262043.db2.gz WHZQPZXBUHGFTA-UHFFFAOYSA-N 1 0 383.876 3.031 20 10 GGCDRO C[N@H+](Cc1cc2c(cc1O)OCO2)[C@@H](CO)c1cccc(Br)c1 ZINC000093815635 1410270585 /nfs/dbraw/zinc/27/05/85/1410270585.db2.gz NPATTYCDHNALBG-AWEZNQCLSA-N 1 0 380.238 3.049 20 10 GGCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000097105843 1410352672 /nfs/dbraw/zinc/35/26/72/1410352672.db2.gz PPSRJABMPUTHLJ-UHFFFAOYSA-N 1 0 394.563 3.162 20 10 GGCDRO COc1ccc(N2CC[NH+](CCCNC(=O)/C=C\c3cccs3)CC2)cc1 ZINC000098004005 1410393906 /nfs/dbraw/zinc/39/39/06/1410393906.db2.gz PAVDVYGMNWGFSM-KTKRTIGZSA-N 1 0 385.533 3.098 20 10 GGCDRO CNC(=O)CN1CCC([NH2+]Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)CC1 ZINC000101591777 1410474741 /nfs/dbraw/zinc/47/47/41/1410474741.db2.gz GEQNBJDDSYMUAD-UHFFFAOYSA-N 1 0 389.584 3.287 20 10 GGCDRO COc1ccc(N2CCC([NH2+]Cc3cc(OC)c(OC)cc3OC)CC2)cc1 ZINC000102432884 1410627460 /nfs/dbraw/zinc/62/74/60/1410627460.db2.gz RERBKKCFMRBHJR-UHFFFAOYSA-N 1 0 386.492 3.480 20 10 GGCDRO COc1ccc(N2CCC(NC(=O)NCC[NH+](C(C)C)C(C)C)CC2)cc1 ZINC000102547144 1410647881 /nfs/dbraw/zinc/64/78/81/1410647881.db2.gz JFEGHDWLQZGEIS-UHFFFAOYSA-N 1 0 376.545 3.082 20 10 GGCDRO COc1ccc(N2CCC(NC(=O)N[C@H](C)C[N@@H+]3CCC[C@H](C)C3)CC2)cc1 ZINC000102560828 1410651608 /nfs/dbraw/zinc/65/16/08/1410651608.db2.gz JTDUMOUOUAMKSC-ZWKOTPCHSA-N 1 0 388.556 3.084 20 10 GGCDRO O=C(c1ccccc1)c1ccc(O)c(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c1[O-] ZINC000102884902 1410804004 /nfs/dbraw/zinc/80/40/04/1410804004.db2.gz XVBQNNFOHSPHSX-UHFFFAOYSA-N 1 0 389.455 3.046 20 10 GGCDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C ZINC000176908075 1428517678 /nfs/dbraw/zinc/51/76/78/1428517678.db2.gz LTQGSDJZZPUTGN-FQEVSTJZSA-N 1 0 387.524 3.189 20 10 GGCDRO COc1ccc(O)c([C@H](C)NC(=O)NCCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000103509079 1410864787 /nfs/dbraw/zinc/86/47/87/1410864787.db2.gz MDBGUCFUAHFXDF-INIZCTEOSA-N 1 0 383.492 3.209 20 10 GGCDRO COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)c1 ZINC000103508180 1410864862 /nfs/dbraw/zinc/86/48/62/1410864862.db2.gz PJBAHDOTYGCFPH-CVEARBPZSA-N 1 0 383.492 3.208 20 10 GGCDRO COc1ccc(O)c([C@@H](C)NC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000103512851 1410865340 /nfs/dbraw/zinc/86/53/40/1410865340.db2.gz XRJVYADLSRCYLJ-AEFFLSMTSA-N 1 0 383.492 3.426 20 10 GGCDRO COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000103516937 1410865744 /nfs/dbraw/zinc/86/57/44/1410865744.db2.gz XAYWBBNEUHGUGS-HKUYNNGSSA-N 1 0 397.519 3.326 20 10 GGCDRO COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)c1 ZINC000103608147 1410868648 /nfs/dbraw/zinc/86/86/48/1410868648.db2.gz XQCCDEVGFSDPAC-UGSOOPFHSA-N 1 0 375.444 3.203 20 10 GGCDRO Cc1ccc(C)n1-c1ccsc1C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000104191743 1410886615 /nfs/dbraw/zinc/88/66/15/1410886615.db2.gz XTKYUTIKMAXMID-UHFFFAOYSA-N 1 0 388.581 3.254 20 10 GGCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@@H](c1ccc(F)cc1)C1CCC1)cc2=O ZINC000104703167 1410934280 /nfs/dbraw/zinc/93/42/80/1410934280.db2.gz RCFUVOPIAUIYHG-LJQANCHMSA-N 1 0 398.438 3.382 20 10 GGCDRO CC(C)[C@H](CNC(=O)NCc1ccc(N2CCSCC2)cc1)[NH+]1CCCC1 ZINC000105152426 1411035635 /nfs/dbraw/zinc/03/56/35/1411035635.db2.gz WHAZKUMINXNLQG-FQEVSTJZSA-N 1 0 390.597 3.159 20 10 GGCDRO CC(C)[C@@H](CNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)[NH+]1CCCC1 ZINC000105194114 1411040585 /nfs/dbraw/zinc/04/05/85/1411040585.db2.gz MYDNGHUXRIZPAV-GHTZIAJQSA-N 1 0 388.556 3.004 20 10 GGCDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)C1 ZINC000105274416 1411048489 /nfs/dbraw/zinc/04/84/89/1411048489.db2.gz JDHULLRLMOJUIR-QUCCMNQESA-N 1 0 389.540 3.203 20 10 GGCDRO CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+]Cc1cc(Cl)ccc1O ZINC000105432757 1411066203 /nfs/dbraw/zinc/06/62/03/1411066203.db2.gz MXHNZRYYFRTXOO-UHFFFAOYSA-N 1 0 382.913 3.163 20 10 GGCDRO COc1ccc([C@H](C)[N@H+](C)CC(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000105731118 1411115490 /nfs/dbraw/zinc/11/54/90/1411115490.db2.gz ATYOQKOUJUSGMK-SFHVURJKSA-N 1 0 397.519 3.045 20 10 GGCDRO O=[N+]([O-])c1ccc([O-])c(C[NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000176985142 1428541330 /nfs/dbraw/zinc/54/13/30/1428541330.db2.gz RRYTYVHOHAVAPD-UHFFFAOYSA-N 1 0 399.491 3.461 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NCCc3cccs3)cc2F)CC1 ZINC000106512252 1411227108 /nfs/dbraw/zinc/22/71/08/1411227108.db2.gz ONGOFVSVKXLXJH-UHFFFAOYSA-N 1 0 390.528 3.071 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NCc3cccc(F)c3)cc2F)CC1 ZINC000106525830 1411232570 /nfs/dbraw/zinc/23/25/70/1411232570.db2.gz ZWEYERHFEBHGEM-UHFFFAOYSA-N 1 0 388.462 3.106 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N(C)[C@@H](C)c3ccccn3)cc2F)CC1 ZINC000106584765 1411256865 /nfs/dbraw/zinc/25/68/65/1411256865.db2.gz KLPLCHMETDQIRS-KRWDZBQOSA-N 1 0 399.514 3.265 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N(C)Cc3ccccc3)cc2F)CC1 ZINC000106584884 1411258202 /nfs/dbraw/zinc/25/82/02/1411258202.db2.gz RLIKLIFEYNPKJL-UHFFFAOYSA-N 1 0 384.499 3.309 20 10 GGCDRO CCCN(CC1CC1)C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000106584831 1411258362 /nfs/dbraw/zinc/25/83/62/1411258362.db2.gz QJPHHPRDUVQBPQ-UHFFFAOYSA-N 1 0 376.520 3.299 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N(C)[C@H](C)c3cccnc3)cc2F)CC1 ZINC000106584904 1411258401 /nfs/dbraw/zinc/25/84/01/1411258401.db2.gz YSKOVKAOXAKMAA-QGZVFWFLSA-N 1 0 399.514 3.265 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N(C)[C@@H](C)c3ccco3)cc2F)CC1 ZINC000106584815 1411258700 /nfs/dbraw/zinc/25/87/00/1411258700.db2.gz JKVGIIVJPPYZIP-INIZCTEOSA-N 1 0 388.487 3.463 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N(C)[C@@H](C)c3cccnc3)cc2F)CC1 ZINC000106584902 1411258845 /nfs/dbraw/zinc/25/88/45/1411258845.db2.gz YSKOVKAOXAKMAA-KRWDZBQOSA-N 1 0 399.514 3.265 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3cccc(COC)c3)cc2F)CC1 ZINC000106701936 1411279829 /nfs/dbraw/zinc/27/98/29/1411279829.db2.gz RULYCEVJZGHBEP-UHFFFAOYSA-N 1 0 385.483 3.044 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3ccc4[nH]ccc4c3)cc2F)CC1 ZINC000107598095 1411390746 /nfs/dbraw/zinc/39/07/46/1411390746.db2.gz LVDDJZHRMYAJME-UHFFFAOYSA-N 1 0 380.467 3.379 20 10 GGCDRO Nc1ccc(F)c(NC(=O)CC[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)c1 ZINC000177064792 1428574994 /nfs/dbraw/zinc/57/49/94/1428574994.db2.gz BNFCKSNSYXAJJQ-QGZVFWFLSA-N 1 0 387.455 3.123 20 10 GGCDRO CCN(C1CC[NH+](Cc2cc(C)cc(C(C)(C)C)c2O)CC1)S(C)(=O)=O ZINC000109001316 1411658485 /nfs/dbraw/zinc/65/84/85/1411658485.db2.gz FNFARUBQLSJUQG-UHFFFAOYSA-N 1 0 382.570 3.244 20 10 GGCDRO CCN(CC)C(=O)c1cccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccccc2O)c1 ZINC000109773685 1411809358 /nfs/dbraw/zinc/80/93/58/1411809358.db2.gz ZUBDBJLEBOHIJS-INIZCTEOSA-N 1 0 383.492 3.333 20 10 GGCDRO CCC[N@H+](CC(=O)N1CCN(c2ccccc2F)CC1)Cc1ccccc1O ZINC000110079418 1411830329 /nfs/dbraw/zinc/83/03/29/1411830329.db2.gz WYAJGRGZPLMDQY-UHFFFAOYSA-N 1 0 385.483 3.092 20 10 GGCDRO Cc1ccc(C)n1-c1ccc(C(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)cc1 ZINC000110845662 1411873255 /nfs/dbraw/zinc/87/32/55/1411873255.db2.gz HDNBHTQRUHPCDW-UHFFFAOYSA-N 1 0 394.563 3.194 20 10 GGCDRO C[N@H+](CC(=O)NCc1cccc(COCc2ccco2)c1)Cc1ccccc1O ZINC000111236198 1411896823 /nfs/dbraw/zinc/89/68/23/1411896823.db2.gz MDKZWWIRQCSDOE-UHFFFAOYSA-N 1 0 394.471 3.450 20 10 GGCDRO Oc1ccc(Br)cc1C[NH2+]CC1(N2CCCCC2)CCOCC1 ZINC000111403712 1411943082 /nfs/dbraw/zinc/94/30/82/1411943082.db2.gz ALSLRGHOJALUCM-UHFFFAOYSA-N 1 0 383.330 3.279 20 10 GGCDRO COc1ccc(O)c([C@@H](C)NC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000111608352 1412001623 /nfs/dbraw/zinc/00/16/23/1412001623.db2.gz LDXYMXRGMQGYJY-GOSISDBHSA-N 1 0 397.519 3.180 20 10 GGCDRO CC[C@@H](OC1CCCC1)C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000112816948 1412221136 /nfs/dbraw/zinc/22/11/36/1412221136.db2.gz QFKPUHGJAOSYBY-OAQYLSRUSA-N 1 0 391.531 3.322 20 10 GGCDRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2ccc(-n3c(C)ccc3C)cc2)CC1 ZINC000112922893 1412242597 /nfs/dbraw/zinc/24/25/97/1412242597.db2.gz NJDUAYVICPKNOY-GOSISDBHSA-N 1 0 382.552 3.098 20 10 GGCDRO COc1ccc([C@H](C[NH2+]Cc2c(O)cccc2Cl)N2CCOCC2)cc1 ZINC000113313191 1412291735 /nfs/dbraw/zinc/29/17/35/1412291735.db2.gz ANXDFZGPQIZSLG-IBGZPJMESA-N 1 0 376.884 3.217 20 10 GGCDRO O=C(NCC[NH2+]Cc1c(O)cccc1Cl)c1cccc(Br)c1 ZINC000113354586 1412297061 /nfs/dbraw/zinc/29/70/61/1412297061.db2.gz XOCAXNQDLJJEAX-UHFFFAOYSA-N 1 0 383.673 3.328 20 10 GGCDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000113404600 1412303235 /nfs/dbraw/zinc/30/32/35/1412303235.db2.gz MERADHDUDUBVDC-IBGZPJMESA-N 1 0 388.556 3.228 20 10 GGCDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000113604760 1412321182 /nfs/dbraw/zinc/32/11/82/1412321182.db2.gz OSLWKPOWRQGNMV-AZUAARDMSA-N 1 0 388.556 3.148 20 10 GGCDRO CCN1CC[NH+](CCCCNC(=O)c2ccc(-n3c(C)ccc3C)cc2)CC1 ZINC000114378774 1412422373 /nfs/dbraw/zinc/42/23/73/1412422373.db2.gz RNUWELYKZRGUKG-UHFFFAOYSA-N 1 0 382.552 3.242 20 10 GGCDRO CC(C)[NH+]1CCC(NC(=O)CN2CCCc3cc(OC(F)(F)F)ccc32)CC1 ZINC000114455197 1412436860 /nfs/dbraw/zinc/43/68/60/1412436860.db2.gz XYPDDCXBXHOGIL-UHFFFAOYSA-N 1 0 399.457 3.327 20 10 GGCDRO COc1ccc(O)c(CNC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000114584682 1412467501 /nfs/dbraw/zinc/46/75/01/1412467501.db2.gz AMMOIKJPINJJBJ-UHFFFAOYSA-N 1 0 383.492 3.386 20 10 GGCDRO CC[NH+](CC)[C@@H](CNC(=O)NCc1cc(OC)ccc1O)c1ccsc1 ZINC000114587085 1412468211 /nfs/dbraw/zinc/46/82/11/1412468211.db2.gz AXQCEXZQTNVNFS-KRWDZBQOSA-N 1 0 377.510 3.345 20 10 GGCDRO COc1ccc(O)c(CNC(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)c1 ZINC000114589090 1412468696 /nfs/dbraw/zinc/46/86/96/1412468696.db2.gz ZAPROKJWNVWYIF-UHFFFAOYSA-N 1 0 383.492 3.037 20 10 GGCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1ccccc1OCC(=O)N1CCCC1 ZINC000115629575 1412738661 /nfs/dbraw/zinc/73/86/61/1412738661.db2.gz LUQNDDIICDVLSH-UHFFFAOYSA-N 1 0 381.520 3.352 20 10 GGCDRO Cc1cc(N(C)C)ccc1CNC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000115675520 1412758277 /nfs/dbraw/zinc/75/82/77/1412758277.db2.gz NNXAOQBNZHVFOE-OAQYLSRUSA-N 1 0 394.563 3.425 20 10 GGCDRO Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000115675517 1412759226 /nfs/dbraw/zinc/75/92/26/1412759226.db2.gz NNXAOQBNZHVFOE-NRFANRHFSA-N 1 0 394.563 3.425 20 10 GGCDRO COc1cccc([C@@H](CNC(=O)NCc2ccc(N(C)C)cc2C)[NH+](C)C)c1 ZINC000115785643 1412788347 /nfs/dbraw/zinc/78/83/47/1412788347.db2.gz GCEQBQWSJOCNGE-OAQYLSRUSA-N 1 0 384.524 3.172 20 10 GGCDRO CN(C)c1ccc(C[NH2+]Cc2ccccc2OCC(=O)NCC2CC2)cc1F ZINC000116337225 1412851099 /nfs/dbraw/zinc/85/10/99/1412851099.db2.gz JZDWUNGXANZIIX-UHFFFAOYSA-N 1 0 385.483 3.087 20 10 GGCDRO CN1CCCc2cc(C[NH2+]Cc3ccccc3OCC(=O)NCC3CC3)ccc21 ZINC000116337251 1412851181 /nfs/dbraw/zinc/85/11/81/1412851181.db2.gz QYSHUDXHGUVMLM-UHFFFAOYSA-N 1 0 393.531 3.264 20 10 GGCDRO O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000116392731 1412854201 /nfs/dbraw/zinc/85/42/01/1412854201.db2.gz SVHJABDPRVUAKE-NRFANRHFSA-N 1 0 378.520 3.210 20 10 GGCDRO C[C@@H](NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)c1ccc(N2CCOCC2)cc1 ZINC000116424749 1412858496 /nfs/dbraw/zinc/85/84/96/1412858496.db2.gz GEPDJBAOAVQCOT-XLIONFOSSA-N 1 0 390.572 3.250 20 10 GGCDRO C[NH+](C)CC[C@H](NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)C(C)(C)C ZINC000116566166 1412878457 /nfs/dbraw/zinc/87/84/57/1412878457.db2.gz SSMGGSLNNPNHPK-ICSRJNTNSA-N 1 0 391.556 3.449 20 10 GGCDRO O=S(=O)(Cc1ccccc1)N1CCC([NH2+]Cc2cc(Cl)ccc2O)CC1 ZINC000117948415 1413092159 /nfs/dbraw/zinc/09/21/59/1413092159.db2.gz FUORAGDXMVPBCI-UHFFFAOYSA-N 1 0 394.924 3.130 20 10 GGCDRO COc1ccc(C(=O)N2CCC([NH2+]Cc3ccc4c(c3)CCO4)CC2)cc1OC ZINC000118452019 1413162047 /nfs/dbraw/zinc/16/20/47/1413162047.db2.gz HTQONYBTHWUAES-UHFFFAOYSA-N 1 0 396.487 3.033 20 10 GGCDRO COc1ccc(N2CCN(C(=O)C[NH2+][C@@H](c3ncccc3C)C(C)C)CC2)cc1 ZINC000118839074 1413241895 /nfs/dbraw/zinc/24/18/95/1413241895.db2.gz NLYZQBAOYMIIHV-JOCHJYFZSA-N 1 0 396.535 3.034 20 10 GGCDRO COc1ccc(N2CCC([NH2+]C[C@H](c3ccc(C)o3)N3CCOCC3)CC2)cc1 ZINC000118950071 1413270216 /nfs/dbraw/zinc/27/02/16/1413270216.db2.gz WAJSAHHOLNQZRE-JOCHJYFZSA-N 1 0 399.535 3.229 20 10 GGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2cccnc2N2CCC(C(N)=O)CC2)cc1 ZINC000119054742 1413319115 /nfs/dbraw/zinc/31/91/15/1413319115.db2.gz GOQXLEVHNGKOCT-QGZVFWFLSA-N 1 0 395.551 3.090 20 10 GGCDRO C[C@H](c1ccccc1)[N@@H+](Cc1ccccc1O)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000119287553 1413399959 /nfs/dbraw/zinc/39/99/59/1413399959.db2.gz NAKOSYVRTKKQIL-UZLBHIALSA-N 1 0 396.447 3.121 20 10 GGCDRO C[C@H]([NH2+]CC(C)(C)N1C[C@@H](C)O[C@H](C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000119483455 1413462448 /nfs/dbraw/zinc/46/24/48/1413462448.db2.gz OQFWLNWXRVNOLO-KURKYZTESA-N 1 0 393.547 3.201 20 10 GGCDRO CCN(Cc1ccccc1)c1ccc(C[NH2+]CC2(C(N)=O)CCOCC2)cc1 ZINC000119519803 1413474027 /nfs/dbraw/zinc/47/40/27/1413474027.db2.gz QYHFCSVTIDRDPP-UHFFFAOYSA-N 1 0 381.520 3.085 20 10 GGCDRO CN(C)c1ccc(C[NH+]2CCC(NC(=O)NC3CCCCC3)CC2)cc1F ZINC000119859420 1413596265 /nfs/dbraw/zinc/59/62/65/1413596265.db2.gz LYNSTPPVQIKHBV-UHFFFAOYSA-N 1 0 376.520 3.488 20 10 GGCDRO CN(C)c1ccc(C[N@H+](C)CCCOc2ccc(S(C)(=O)=O)cc2)cc1 ZINC000119991392 1413644668 /nfs/dbraw/zinc/64/46/68/1413644668.db2.gz ZHSQXCPXWSXHFH-UHFFFAOYSA-N 1 0 376.522 3.057 20 10 GGCDRO COc1ccc(CNC(=O)C[NH2+][C@@H](C)c2ccc(Br)cc2O)cc1 ZINC000120026870 1413659037 /nfs/dbraw/zinc/65/90/37/1413659037.db2.gz NDWIUYWBZGKSFY-LBPRGKRZSA-N 1 0 393.281 3.130 20 10 GGCDRO C[C@H]([NH2+]CCCN(C)C(=O)OC(C)(C)C)c1ccc(N2CCOCC2)cc1 ZINC000120241399 1413748056 /nfs/dbraw/zinc/74/80/56/1413748056.db2.gz PHNHQRPRHOCOJP-KRWDZBQOSA-N 1 0 377.529 3.431 20 10 GGCDRO CN(C)c1ccc(CN(CC(F)(F)F)C(=O)C[N@H+](C)[C@@H]2CCSC2)cc1 ZINC000120366693 1413803304 /nfs/dbraw/zinc/80/33/04/1413803304.db2.gz YHVBBKXUULFRMR-MRXNPFEDSA-N 1 0 389.487 3.081 20 10 GGCDRO COc1ccc([C@H](CCO)[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000120397370 1413809326 /nfs/dbraw/zinc/80/93/26/1413809326.db2.gz LMIUUTNIMYVPSZ-KKSFZXQISA-N 1 0 388.483 3.445 20 10 GGCDRO C[NH+](C)Cc1cccc(CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC000120441311 1413818464 /nfs/dbraw/zinc/81/84/64/1413818464.db2.gz OGMDDSRFMHBGQF-NRFANRHFSA-N 1 0 397.519 3.345 20 10 GGCDRO CC(C)(COc1ncccc1Br)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000120487913 1413828520 /nfs/dbraw/zinc/82/85/20/1413828520.db2.gz KYXRLUJZUMDVSR-UHFFFAOYSA-N 1 0 395.253 3.226 20 10 GGCDRO C[C@H](NC(=O)N(CC[NH+](C)C)C1CCCC1)c1ccc(N2CCOCC2)cc1 ZINC000120787076 1413902676 /nfs/dbraw/zinc/90/26/76/1413902676.db2.gz KLCIQZYHRUANJW-SFHVURJKSA-N 1 0 388.556 3.100 20 10 GGCDRO C[C@@H](NC(=O)N(CC[NH+](C)C)C1CCCC1)c1ccc(N2CCOCC2)cc1 ZINC000120787253 1413902738 /nfs/dbraw/zinc/90/27/38/1413902738.db2.gz KLCIQZYHRUANJW-GOSISDBHSA-N 1 0 388.556 3.100 20 10 GGCDRO CCN(C(=O)[C@@H](C)[N@H+](C)Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000120863438 1413930480 /nfs/dbraw/zinc/93/04/80/1413930480.db2.gz AKCROTDIKNGHDC-LJQANCHMSA-N 1 0 381.520 3.397 20 10 GGCDRO COc1ccc(N2CCN(CCC[NH2+][C@H](C)c3cccc(CO)c3)CC2)cc1 ZINC000121047936 1413988722 /nfs/dbraw/zinc/98/87/22/1413988722.db2.gz JSXUMGXMSRKACW-LJQANCHMSA-N 1 0 383.536 3.050 20 10 GGCDRO C[C@@H](NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)C(C)(C)C[NH+](C)C ZINC000121188725 1414038228 /nfs/dbraw/zinc/03/82/28/1414038228.db2.gz WUDCSMMRTSHSIQ-SJLPKXTDSA-N 1 0 377.529 3.059 20 10 GGCDRO C[C@H](NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)C(C)(C)C[NH+](C)C ZINC000121188592 1414038451 /nfs/dbraw/zinc/03/84/51/1414038451.db2.gz WUDCSMMRTSHSIQ-FUHWJXTLSA-N 1 0 377.529 3.059 20 10 GGCDRO COc1ccc(N2CC[NH+](Cc3ccc(C(=O)N4CCCC4)cc3)CC2)cc1F ZINC000121981722 1414331284 /nfs/dbraw/zinc/33/12/84/1414331284.db2.gz SVRAXGDMTNYBFE-UHFFFAOYSA-N 1 0 397.494 3.393 20 10 GGCDRO Cc1cc(C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)c(C)n1-c1ccccc1C ZINC000121991796 1414333868 /nfs/dbraw/zinc/33/38/68/1414333868.db2.gz FJQYAJPXLCRCHZ-QGZVFWFLSA-N 1 0 382.552 3.016 20 10 GGCDRO CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000122189147 1414383708 /nfs/dbraw/zinc/38/37/08/1414383708.db2.gz QUQXQYDJIGEJHC-OALUTQOASA-N 1 0 375.513 3.059 20 10 GGCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)[C@@H](C)c1ccc(F)c(F)c1)cc2=O ZINC000122207107 1414388950 /nfs/dbraw/zinc/38/89/50/1414388950.db2.gz DYZWTSXWRDDHPU-NSHDSACASA-N 1 0 390.390 3.083 20 10 GGCDRO COc1cc([C@H](C)[NH2+]Cc2ccc(N(C)C)c(F)c2)ccc1S(C)(=O)=O ZINC000122444558 1414461987 /nfs/dbraw/zinc/46/19/87/1414461987.db2.gz DKMAWUAMDKNVOE-ZDUSSCGKSA-N 1 0 380.485 3.155 20 10 GGCDRO C[C@H](C(=O)NCCc1ccc(O)c(O)c1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000122747025 1414555220 /nfs/dbraw/zinc/55/52/20/1414555220.db2.gz JIIHVJQEKCFQBN-QGZVFWFLSA-N 1 0 382.504 3.100 20 10 GGCDRO Cc1ccc(C(=O)NCC2([NH2+][C@H](C)c3ccccc3)CCOCC2)c(O)c1O ZINC000177685732 1428833174 /nfs/dbraw/zinc/83/31/74/1428833174.db2.gz HKWPJVPYUMHZLJ-MRXNPFEDSA-N 1 0 384.476 3.036 20 10 GGCDRO Cc1cc(C(=O)NCCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(C)n1-c1ccccn1 ZINC000123727531 1414816105 /nfs/dbraw/zinc/81/61/05/1414816105.db2.gz WDQQCOOSTMZTQK-HDICACEKSA-N 1 0 384.524 3.108 20 10 GGCDRO COc1cc(Br)cc(C[NH2+]Cc2cn3cccc(C)c3n2)c1O ZINC000123988136 1414863405 /nfs/dbraw/zinc/86/34/05/1414863405.db2.gz CQTCNMIBIYGLSL-UHFFFAOYSA-N 1 0 376.254 3.409 20 10 GGCDRO Cc1nn(C)c(N2CCOCC2)c1C[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000124088985 1414883194 /nfs/dbraw/zinc/88/31/94/1414883194.db2.gz XLPXIDWUPDDKES-UHFFFAOYSA-N 1 0 384.524 3.216 20 10 GGCDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000124145338 1414894856 /nfs/dbraw/zinc/89/48/56/1414894856.db2.gz RRYJXBHPGCLSRC-HXUWFJFHSA-N 1 0 395.551 3.221 20 10 GGCDRO Cc1ccc(-c2noc(CN3CC[NH+](Cc4cc(C)ccc4O)CC3)n2)cc1 ZINC000124270389 1414925856 /nfs/dbraw/zinc/92/58/56/1414925856.db2.gz YAJJJDUFWRRKCF-UHFFFAOYSA-N 1 0 378.476 3.377 20 10 GGCDRO CCC[N@@H+]1CCC[C@@H]1C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000124359142 1414948586 /nfs/dbraw/zinc/94/85/86/1414948586.db2.gz XFQZTNHLKIGTII-GOSISDBHSA-N 1 0 399.457 3.033 20 10 GGCDRO C[C@@H]([NH2+]CCCS(=O)(=O)c1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000177810558 1428862833 /nfs/dbraw/zinc/86/28/33/1428862833.db2.gz QKTDVDFVPGMZKV-GOSISDBHSA-N 1 0 388.533 3.038 20 10 GGCDRO CCOC(=O)N[C@@H](C[NH2+]C1CCN(c2ccc(OC)cc2)CC1)CC(C)C ZINC000125560724 1415226949 /nfs/dbraw/zinc/22/69/49/1415226949.db2.gz GPBMCJQOEWADAH-GOSISDBHSA-N 1 0 377.529 3.414 20 10 GGCDRO CCOC(=O)N[C@H](C[NH2+]C1CCN(c2ccc(OC)cc2)CC1)CC(C)C ZINC000125560457 1415226985 /nfs/dbraw/zinc/22/69/85/1415226985.db2.gz GPBMCJQOEWADAH-SFHVURJKSA-N 1 0 377.529 3.414 20 10 GGCDRO CN(C)c1ccc(CNC(=O)C[NH+]2CCC(OCCc3ccccc3)CC2)cc1 ZINC000125738941 1415267152 /nfs/dbraw/zinc/26/71/52/1415267152.db2.gz PZDKKQMJYHLVSI-UHFFFAOYSA-N 1 0 395.547 3.093 20 10 GGCDRO C[NH+](C)CCOc1ccc(CNC(=O)NCc2ccc(N3CC=CC3)cc2)cc1 ZINC000125745660 1415268740 /nfs/dbraw/zinc/26/87/40/1415268740.db2.gz SODKFXXXPCKMIR-UHFFFAOYSA-N 1 0 394.519 3.003 20 10 GGCDRO C[C@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000125748610 1415269508 /nfs/dbraw/zinc/26/95/08/1415269508.db2.gz PXMFLJQBPBECAE-KBPBESRZSA-N 1 0 391.865 3.464 20 10 GGCDRO C[N@@H+](Cc1ccc(C(=O)N2CCCC2)cc1)Cc1ccc(N2CCOCC2)cc1 ZINC000126117160 1415362011 /nfs/dbraw/zinc/36/20/11/1415362011.db2.gz FUYYZAHQTHTMKV-UHFFFAOYSA-N 1 0 393.531 3.391 20 10 GGCDRO C[C@H]([NH2+]CCc1ccc(OCC(=O)NC2CC2)cc1)c1ccc(N(C)C)cc1 ZINC000126147673 1415369836 /nfs/dbraw/zinc/36/98/36/1415369836.db2.gz OKDPRSGZQLLFOL-KRWDZBQOSA-N 1 0 381.520 3.303 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NC[C@]3(C)CCCS3)cc2F)CC1 ZINC000126152562 1415371273 /nfs/dbraw/zinc/37/12/73/1415371273.db2.gz GGKURBIBTVPHOK-FQEVSTJZSA-N 1 0 394.560 3.053 20 10 GGCDRO CN(C)S(=O)(=O)c1ccc(C[NH2+]Cc2ccc(N3CCCCC3)cc2)cc1 ZINC000126261358 1415397090 /nfs/dbraw/zinc/39/70/90/1415397090.db2.gz RVLAKBOMXRNGIC-UHFFFAOYSA-N 1 0 387.549 3.217 20 10 GGCDRO C[C@@H]([NH2+]CC(=O)N1CCCc2ccccc21)c1ccc(N2CCOCC2)cc1 ZINC000177981300 1428913883 /nfs/dbraw/zinc/91/38/83/1428913883.db2.gz AYILIWQXLITHNR-GOSISDBHSA-N 1 0 379.504 3.153 20 10 GGCDRO Cc1ccc(S(=O)(=O)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)cc1 ZINC000126601304 1415503889 /nfs/dbraw/zinc/50/38/89/1415503889.db2.gz BQFGACWZOQMMOJ-UHFFFAOYSA-N 1 0 385.533 3.328 20 10 GGCDRO O=S(=O)(Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)c1cccc(F)c1 ZINC000126609466 1415505991 /nfs/dbraw/zinc/50/59/91/1415505991.db2.gz FVFVYCCGNSDTFW-UHFFFAOYSA-N 1 0 389.496 3.159 20 10 GGCDRO Cc1ccc([C@@H](CNC(=O)NCc2ccc(N3CC=CC3)cc2)[NH+](C)C)cc1 ZINC000126649509 1415517630 /nfs/dbraw/zinc/51/76/30/1415517630.db2.gz LDHZEEABJDKAIT-JOCHJYFZSA-N 1 0 378.520 3.473 20 10 GGCDRO Cc1cc(C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)c(C)n1-c1cccc(C)c1 ZINC000178069929 1428968800 /nfs/dbraw/zinc/96/88/00/1428968800.db2.gz FGVVQNRGDXWURQ-FQEVSTJZSA-N 1 0 381.520 3.197 20 10 GGCDRO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000127141730 1415669568 /nfs/dbraw/zinc/66/95/68/1415669568.db2.gz BZEQXRUDMLWXMV-GOSISDBHSA-N 1 0 377.492 3.297 20 10 GGCDRO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000127141496 1415669631 /nfs/dbraw/zinc/66/96/31/1415669631.db2.gz BZEQXRUDMLWXMV-SFHVURJKSA-N 1 0 377.492 3.297 20 10 GGCDRO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000127150579 1415672874 /nfs/dbraw/zinc/67/28/74/1415672874.db2.gz UCHRTVIACWCVKG-KRWDZBQOSA-N 1 0 395.482 3.436 20 10 GGCDRO CC(C)CC(=O)N1CCC([NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000178084552 1428975149 /nfs/dbraw/zinc/97/51/49/1428975149.db2.gz GONZGWFSZDZJAS-KRWDZBQOSA-N 1 0 391.531 3.350 20 10 GGCDRO O=C(NCc1ccc(N2CC=CC2)cc1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000127961590 1415884292 /nfs/dbraw/zinc/88/42/92/1415884292.db2.gz FLTDUHIBFJXMSP-KNQAVFIVSA-N 1 0 380.536 3.221 20 10 GGCDRO Cc1cc(C(=O)N2CCC[NH2+]CC2)c(C)n1-c1cccc(Br)c1 ZINC000178362334 1429061723 /nfs/dbraw/zinc/06/17/23/1429061723.db2.gz BQBODDCRUHSRMK-UHFFFAOYSA-N 1 0 376.298 3.292 20 10 GGCDRO C[C@@H]([NH2+]CCC(=O)N1CCCCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000129160304 1416159757 /nfs/dbraw/zinc/15/97/57/1416159757.db2.gz QEQWHUOQLABZQA-QGZVFWFLSA-N 1 0 377.504 3.106 20 10 GGCDRO C[C@@H]([NH2+]C1CCN(S(C)(=O)=O)CC1)c1ccc(N2CCCCCC2)cc1 ZINC000129744195 1416257174 /nfs/dbraw/zinc/25/71/74/1416257174.db2.gz SMWHMRJTGMLNJZ-QGZVFWFLSA-N 1 0 379.570 3.142 20 10 GGCDRO O=C(/C=C/c1cncc(F)c1)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000130148307 1416327330 /nfs/dbraw/zinc/32/73/30/1416327330.db2.gz DCSNLJSQRKOSDK-HNSSHINMSA-N 1 0 389.858 3.374 20 10 GGCDRO CN1CCc2cc(/C=C3\SC(=S)N(CC(C)(C)C[NH+](C)C)C3=O)ccc21 ZINC000130424676 1416376047 /nfs/dbraw/zinc/37/60/47/1416376047.db2.gz BDXFBYUVTNPFDZ-BOPFTXTBSA-N 1 0 389.590 3.468 20 10 GGCDRO CCOC(=O)COc1ccc(C[N@@H+]2CCCN(c3ccc(OC)cc3)CC2)cc1 ZINC000130542141 1416396087 /nfs/dbraw/zinc/39/60/87/1416396087.db2.gz GZXSSMGIUCLNKZ-UHFFFAOYSA-N 1 0 398.503 3.349 20 10 GGCDRO CCC[N@H+](CC(=O)Nc1cccc(N2CCCC2=O)c1)Cc1ccccc1O ZINC000130734384 1416438019 /nfs/dbraw/zinc/43/80/19/1416438019.db2.gz NENHFMPEEOWKEA-UHFFFAOYSA-N 1 0 381.476 3.370 20 10 GGCDRO COc1ccc(N2CCC([NH2+]C[C@@H](O)c3cc(OC)cc(OC)c3)CC2)cc1 ZINC000130957214 1416487289 /nfs/dbraw/zinc/48/72/89/1416487289.db2.gz UZGKGWBCXJQFAA-JOCHJYFZSA-N 1 0 386.492 3.004 20 10 GGCDRO CN(C)c1ccc(C[NH2+]C[C@@H](O)COc2ccccc2Br)cc1 ZINC000130983093 1416491351 /nfs/dbraw/zinc/49/13/51/1416491351.db2.gz ZHLLEMMSUGDFJP-MRXNPFEDSA-N 1 0 379.298 3.045 20 10 GGCDRO Oc1cccc(Cl)c1C[NH2+]C[C@H](O)COc1ccccc1Br ZINC000131007255 1416495229 /nfs/dbraw/zinc/49/52/29/1416495229.db2.gz AWFMQAYISUYJCG-NSHDSACASA-N 1 0 386.673 3.338 20 10 GGCDRO CN(C)c1ccc(/N=N/c2ccccc2C(=O)NCCN2CC[NH+](C)CC2)cc1 ZINC000131581041 1416579528 /nfs/dbraw/zinc/57/95/28/1416579528.db2.gz SGFOTRVBHVTWRX-OCOZRVBESA-N 1 0 394.523 3.145 20 10 GGCDRO COc1cc(Br)cc(C[NH2+]C[C@@]2(O)CCc3ccccc32)c1O ZINC000132053454 1416683456 /nfs/dbraw/zinc/68/34/56/1416683456.db2.gz LGWMGJJQEAFMIP-SFHVURJKSA-N 1 0 378.266 3.087 20 10 GGCDRO C[C@H]([NH2+]CCCSc1nccs1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000132153227 1416708513 /nfs/dbraw/zinc/70/85/13/1416708513.db2.gz HBENJJOIWYVTMG-ZDUSSCGKSA-N 1 0 385.580 3.226 20 10 GGCDRO CCOC(=O)c1cc(C)sc1NC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1O ZINC000133022844 1416842943 /nfs/dbraw/zinc/84/29/43/1416842943.db2.gz ZMPBSSWNJPEFOF-CYBMUJFWSA-N 1 0 376.478 3.398 20 10 GGCDRO NC(=O)c1csc(C[NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 ZINC000133196475 1416863326 /nfs/dbraw/zinc/86/33/26/1416863326.db2.gz LFNZQQUAYLDUDV-CYBMUJFWSA-N 1 0 381.448 3.207 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)Cc3ccc(F)c(F)c3)cc2F)CC1 ZINC000133953145 1417001149 /nfs/dbraw/zinc/00/11/49/1417001149.db2.gz CTOPSFWLLZAMHP-UHFFFAOYSA-N 1 0 391.437 3.105 20 10 GGCDRO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1ccc[nH]c1=S ZINC000134258960 1417045328 /nfs/dbraw/zinc/04/53/28/1417045328.db2.gz ZTIBYUOTXSDWSY-CQSZACIVSA-N 1 0 377.897 3.124 20 10 GGCDRO O=C(CCC1CCOCC1)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134262079 1417045455 /nfs/dbraw/zinc/04/54/55/1417045455.db2.gz HAZLJMPAZLPHQE-SFHVURJKSA-N 1 0 380.916 3.333 20 10 GGCDRO CC(C)n1nccc1C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134263349 1417046292 /nfs/dbraw/zinc/04/62/92/1417046292.db2.gz GRZQEZNSXAQGMJ-INIZCTEOSA-N 1 0 376.888 3.217 20 10 GGCDRO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1ccc2[nH]cnc2c1 ZINC000134264221 1417046331 /nfs/dbraw/zinc/04/63/31/1417046331.db2.gz SDFGYDGRAUDYLC-INIZCTEOSA-N 1 0 384.867 3.316 20 10 GGCDRO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1ccc2[nH]cnc2c1 ZINC000134264200 1417046371 /nfs/dbraw/zinc/04/63/71/1417046371.db2.gz SDFGYDGRAUDYLC-MRXNPFEDSA-N 1 0 384.867 3.316 20 10 GGCDRO C[C@H]([NH2+]Cc1ccc(-n2cncn2)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000178743849 1429158950 /nfs/dbraw/zinc/15/89/50/1429158950.db2.gz SOYIHGWDMYGJEP-INIZCTEOSA-N 1 0 381.455 3.094 20 10 GGCDRO CCOc1ccc(NC(=O)CC[N@H+](C)Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000136299723 1417308168 /nfs/dbraw/zinc/30/81/68/1417308168.db2.gz UTWNZMMTAMRWQP-UHFFFAOYSA-N 1 0 397.519 3.383 20 10 GGCDRO COc1cccc(C[NH2+]C[C@@H](CO)Cc2ccc(OC(F)(F)F)cc2)c1O ZINC000136500516 1417321596 /nfs/dbraw/zinc/32/15/96/1417321596.db2.gz ZJHXSZCXDQQCEN-AWEZNQCLSA-N 1 0 385.382 3.240 20 10 GGCDRO C[C@@H](NC(=O)Nc1cccc(C[NH+](C)C)c1)c1ccc(N2CCOCC2)cc1 ZINC000141825861 1417558749 /nfs/dbraw/zinc/55/87/49/1417558749.db2.gz SJPDBQIQDVSJHF-QGZVFWFLSA-N 1 0 382.508 3.468 20 10 GGCDRO O=C(NCc1ccc(N2CCCC2)cc1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000178874574 1429205579 /nfs/dbraw/zinc/20/55/79/1429205579.db2.gz ZLLWVGZCYKXHBW-KNQAVFIVSA-N 1 0 382.552 3.445 20 10 GGCDRO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000151056343 1417863635 /nfs/dbraw/zinc/86/36/35/1417863635.db2.gz XBQFIDQEXUHERQ-OAHLLOKOSA-N 1 0 388.899 3.079 20 10 GGCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)c1ccc([S@](C)=O)cc1 ZINC000151581464 1418031546 /nfs/dbraw/zinc/03/15/46/1418031546.db2.gz RBHMIEXTASDTBH-CBZJRKILSA-N 1 0 386.561 3.484 20 10 GGCDRO COc1ccc(O)c([C@H](C)NC(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)c1 ZINC000152012787 1418120525 /nfs/dbraw/zinc/12/05/25/1418120525.db2.gz AEDDAPOFRWDEDB-JKSUJKDBSA-N 1 0 398.507 3.382 20 10 GGCDRO Cc1cc(C(=O)N(C)[C@H]2CC[NH2+]C2)c(C)n1-c1ccc(Br)cc1 ZINC000179116857 1429267866 /nfs/dbraw/zinc/26/78/66/1429267866.db2.gz NGQOIHRYOJTSGR-INIZCTEOSA-N 1 0 376.298 3.291 20 10 GGCDRO Oc1ccccc1C[NH+]1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000179559852 1429432232 /nfs/dbraw/zinc/43/22/32/1429432232.db2.gz XOEJYFIFHSRFCR-UHFFFAOYSA-N 1 0 384.867 3.413 20 10 GGCDRO C[C@@H]1Oc2ccc(C(=O)C3CC[NH+](Cc4ccccc4O)CC3)cc2NC1=O ZINC000179568890 1429440458 /nfs/dbraw/zinc/44/04/58/1429440458.db2.gz DQPIBCYVWGJQBJ-AWEZNQCLSA-N 1 0 380.444 3.207 20 10 GGCDRO Cc1cccc(C(C)(C)[NH2+]CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000179593253 1429459285 /nfs/dbraw/zinc/45/92/85/1429459285.db2.gz ZIGXLJUDKTUNEG-UHFFFAOYSA-N 1 0 399.510 3.112 20 10 GGCDRO COc1cc(C)c([C@@H](C)[NH2+]CC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1OC ZINC000179617447 1429473062 /nfs/dbraw/zinc/47/30/62/1429473062.db2.gz YPRXGYXVYUQXJU-QGZVFWFLSA-N 1 0 399.535 3.387 20 10 GGCDRO COc1cc(C)c([C@H](C)[NH2+]CC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1OC ZINC000179617465 1429473163 /nfs/dbraw/zinc/47/31/63/1429473163.db2.gz YPRXGYXVYUQXJU-KRWDZBQOSA-N 1 0 399.535 3.387 20 10 GGCDRO CCS(=O)(=O)NCCC[N@H+](Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000179644274 1429486227 /nfs/dbraw/zinc/48/62/27/1429486227.db2.gz URBDENWEWPZCQT-QGZVFWFLSA-N 1 0 376.522 3.285 20 10 GGCDRO COc1ccc(O)c(C[NH+]2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)c1 ZINC000179756726 1429542565 /nfs/dbraw/zinc/54/25/65/1429542565.db2.gz JGEHNNQPAMXHPV-UHFFFAOYSA-N 1 0 375.856 3.300 20 10 GGCDRO O=C(NCc1c(O)ccc2c1CCCC2)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179760754 1429546056 /nfs/dbraw/zinc/54/60/56/1429546056.db2.gz IBEZMMVDADPZLQ-UHFFFAOYSA-N 1 0 394.519 3.382 20 10 GGCDRO C[NH+](C)[C@@H](CNC(=O)NCc1ccc(N2CC=CC2)cc1)Cc1ccccc1 ZINC000152933349 1422301044 /nfs/dbraw/zinc/30/10/44/1422301044.db2.gz WSYRXZZZOQJSSF-JOCHJYFZSA-N 1 0 378.520 3.035 20 10 GGCDRO Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000179762334 1429546525 /nfs/dbraw/zinc/54/65/25/1429546525.db2.gz LTYOHZGCDNNKHO-UHFFFAOYSA-N 1 0 375.538 3.074 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3ccc(F)c(OC)c3)cc2F)CC1 ZINC000153144526 1422370907 /nfs/dbraw/zinc/37/09/07/1422370907.db2.gz MTAJIVPIOMUNCX-UHFFFAOYSA-N 1 0 389.446 3.045 20 10 GGCDRO C[C@@H]([NH2+]C[C@H](O)COc1ccc2c(c1)OCO2)c1ccc(N2CCCCC2)cc1 ZINC000153254700 1422421322 /nfs/dbraw/zinc/42/13/22/1422421322.db2.gz WAWWDEVQSCNNGH-XLIONFOSSA-N 1 0 398.503 3.496 20 10 GGCDRO C[C@@H](C(=O)Nc1cccnc1Cl)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000153331501 1422474149 /nfs/dbraw/zinc/47/41/49/1422474149.db2.gz PLPJPGULHPIUMS-HNNXBMFYSA-N 1 0 388.899 3.031 20 10 GGCDRO Cc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(N3CCOCC3)cc2)cc1F ZINC000153345289 1422481697 /nfs/dbraw/zinc/48/16/97/1422481697.db2.gz UXBHZIDESMMPLS-QGZVFWFLSA-N 1 0 385.483 3.430 20 10 GGCDRO COc1ccc(O)c([C@@H](C)NC(=O)CC[NH+]2CCN(c3cccc(C)c3)CC2)c1 ZINC000153948868 1422815770 /nfs/dbraw/zinc/81/57/70/1422815770.db2.gz FGSFJFQMEBQWER-GOSISDBHSA-N 1 0 397.519 3.099 20 10 GGCDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000154101611 1422840564 /nfs/dbraw/zinc/84/05/64/1422840564.db2.gz SIJKZASURNZXJF-PMACEKPBSA-N 1 0 389.540 3.347 20 10 GGCDRO COc1cccc(C[NH2+][C@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)c1O ZINC000154339059 1422875018 /nfs/dbraw/zinc/87/50/18/1422875018.db2.gz ZJFOHZKGKVTEAH-RBUKOAKNSA-N 1 0 376.884 3.216 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNc3nnc(C(F)(F)F)s3)cc2F)CC1 ZINC000154479193 1422894274 /nfs/dbraw/zinc/89/42/74/1422894274.db2.gz PVFWPSZZYSPWJV-UHFFFAOYSA-N 1 0 389.422 3.450 20 10 GGCDRO COCOc1ccc(OC)cc1C[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000154482818 1422894882 /nfs/dbraw/zinc/89/48/82/1422894882.db2.gz MCPASKWTRZZAFH-UHFFFAOYSA-N 1 0 386.492 3.445 20 10 GGCDRO C[N@H+](CC(=O)N(Cc1ccccc1)C1CC1)Cc1ccc(N2CCOCC2)cc1 ZINC000154745840 1423019548 /nfs/dbraw/zinc/01/95/48/1423019548.db2.gz MJTGIQBPKZIBTM-UHFFFAOYSA-N 1 0 393.531 3.146 20 10 GGCDRO CC[C@H]([NH2+]Cc1ccc(CS(=O)(=O)NC(C)C)cc1)c1ccccc1O ZINC000155305622 1423309483 /nfs/dbraw/zinc/30/94/83/1423309483.db2.gz BZGHYKHPWCVXGP-IBGZPJMESA-N 1 0 376.522 3.461 20 10 GGCDRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000155670918 1423479287 /nfs/dbraw/zinc/47/92/87/1423479287.db2.gz MKQIVDUTBJYTLN-UHFFFAOYSA-N 1 0 396.510 3.475 20 10 GGCDRO Cc1cccc(S(=O)(=O)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)c1 ZINC000179953064 1429660408 /nfs/dbraw/zinc/66/04/08/1429660408.db2.gz JEFOZBJRXIFVRQ-UHFFFAOYSA-N 1 0 385.533 3.328 20 10 GGCDRO CCNC(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000156492697 1423818119 /nfs/dbraw/zinc/81/81/19/1423818119.db2.gz LZMCEONHEIFUOY-INIZCTEOSA-N 1 0 385.483 3.263 20 10 GGCDRO C[C@H]([NH2+]C[C@@H]1COC2(CCOCC2)O1)c1ccc(N2CCCCC2)c(F)c1 ZINC000179987719 1429676744 /nfs/dbraw/zinc/67/67/44/1429676744.db2.gz ZLZWXSUWZFWCAI-FUHWJXTLSA-N 1 0 378.488 3.389 20 10 GGCDRO CC(C)n1ncc2cc(C[N@H+](C)Cc3ccc(N4CCOCC4)cc3)cnc21 ZINC000157569580 1424039386 /nfs/dbraw/zinc/03/93/86/1424039386.db2.gz MSDHNVMFTSZKSZ-UHFFFAOYSA-N 1 0 379.508 3.481 20 10 GGCDRO C[C@@H](C[C@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000158173081 1424186349 /nfs/dbraw/zinc/18/63/49/1424186349.db2.gz KHJYHCTVSSPYDS-LPHOPBHVSA-N 1 0 377.529 3.257 20 10 GGCDRO C[C@H](C[C@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000158173212 1424187004 /nfs/dbraw/zinc/18/70/04/1424187004.db2.gz KHJYHCTVSSPYDS-APWZRJJASA-N 1 0 377.529 3.257 20 10 GGCDRO CCCCCCNC(=O)[C@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000160058052 1424568188 /nfs/dbraw/zinc/56/81/88/1424568188.db2.gz KLJFRUAMIJFTFE-INIZCTEOSA-N 1 0 378.513 3.318 20 10 GGCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+]C(C)(C)c1ccc(CC)cc1)cc2=O ZINC000180098681 1429737759 /nfs/dbraw/zinc/73/77/59/1429737759.db2.gz LZNAIBKEQPPDHK-UHFFFAOYSA-N 1 0 382.464 3.199 20 10 GGCDRO COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c1 ZINC000160256807 1424590789 /nfs/dbraw/zinc/59/07/89/1424590789.db2.gz QERSECUMWVYYET-SOLBZPMBSA-N 1 0 383.492 3.424 20 10 GGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H](CNC(=O)c3ccccc3)C2)cc1OC ZINC000160356347 1424597788 /nfs/dbraw/zinc/59/77/88/1424597788.db2.gz YNJIBVYMHUJDRQ-INIZCTEOSA-N 1 0 384.476 3.051 20 10 GGCDRO C[C@@H]([NH2+]C1CCN(CC(=O)N(C)C)CC1)c1ccc(N2CCCCCC2)cc1 ZINC000160401229 1424601139 /nfs/dbraw/zinc/60/11/39/1424601139.db2.gz VAJRIHOIWYAODB-LJQANCHMSA-N 1 0 386.584 3.270 20 10 GGCDRO CCC[C@@H]1C[C@H](C(=O)NCc2ccc(N3CC[NH+](CC)CC3)c(F)c2)CCO1 ZINC000180103519 1429739067 /nfs/dbraw/zinc/73/90/67/1429739067.db2.gz PZMBMNSISKIILB-RTBURBONSA-N 1 0 391.531 3.179 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C[C@@H](C)c3ccncc3)cc2F)CC1 ZINC000160469609 1424606507 /nfs/dbraw/zinc/60/65/07/1424606507.db2.gz YAPGGXFUBGGKBF-QGZVFWFLSA-N 1 0 384.499 3.173 20 10 GGCDRO C[C@@H]([NH2+]Cc1ccc(CN2CCOCC2)cc1)c1ccc(N2CCOCC2)cc1 ZINC000160566121 1424614233 /nfs/dbraw/zinc/61/42/33/1424614233.db2.gz ZWGSAPVZPWZSMN-HXUWFJFHSA-N 1 0 395.547 3.206 20 10 GGCDRO C[NH+](C)CCN(C(=O)NCc1ccc(N2CCSCC2)cc1)C1CCCC1 ZINC000160921475 1424644911 /nfs/dbraw/zinc/64/49/11/1424644911.db2.gz AYFAATTWDBBSKN-UHFFFAOYSA-N 1 0 390.597 3.256 20 10 GGCDRO C[C@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)C(=O)NCc1ccccc1 ZINC000161215409 1424667576 /nfs/dbraw/zinc/66/75/76/1424667576.db2.gz JXFWRROCSXLKIU-IRXDYDNUSA-N 1 0 385.483 3.018 20 10 GGCDRO C[C@H]([NH2+]CC1CCN(C(=O)C(C)(C)C)CC1)c1ccc(N2CCOCC2)cc1 ZINC000161509927 1424697152 /nfs/dbraw/zinc/69/71/52/1424697152.db2.gz DOSGDBKEIMVGMZ-SFHVURJKSA-N 1 0 387.568 3.459 20 10 GGCDRO CN(C)c1ccc(CNC(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)cc1F ZINC000162264428 1424832494 /nfs/dbraw/zinc/83/24/94/1424832494.db2.gz FDAPXIRYWRHHJB-UHFFFAOYSA-N 1 0 399.510 3.026 20 10 GGCDRO C[C@H]([NH2+]C[C@H]1CCN(CC(F)(F)F)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000163118773 1424944897 /nfs/dbraw/zinc/94/48/97/1424944897.db2.gz KWENKQLYMGMHSN-LSDHHAIUSA-N 1 0 389.437 3.197 20 10 GGCDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)CN1C1CC1 ZINC000163407411 1424993310 /nfs/dbraw/zinc/99/33/10/1424993310.db2.gz UMNUOEPRTXUCIM-GDBMZVCRSA-N 1 0 383.458 3.257 20 10 GGCDRO Cn1ncc2c1CCC[C@H]2[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000163415187 1424994311 /nfs/dbraw/zinc/99/43/11/1424994311.db2.gz TXUWOZKCNSQGRR-GOSISDBHSA-N 1 0 394.441 3.443 20 10 GGCDRO Cn1ncc2c1CCC[C@@H]2[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000163415317 1424994333 /nfs/dbraw/zinc/99/43/33/1424994333.db2.gz TXUWOZKCNSQGRR-SFHVURJKSA-N 1 0 394.441 3.443 20 10 GGCDRO COCOc1ccc(OC)cc1C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000164213899 1425087923 /nfs/dbraw/zinc/08/79/23/1425087923.db2.gz KFMTWBYEFNESOL-QGZVFWFLSA-N 1 0 386.492 3.365 20 10 GGCDRO COCOc1ccc(OC)cc1C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000164213771 1425088174 /nfs/dbraw/zinc/08/81/74/1425088174.db2.gz KFMTWBYEFNESOL-KRWDZBQOSA-N 1 0 386.492 3.365 20 10 GGCDRO C[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(N2CCOCC2)cc1 ZINC000164496155 1425117803 /nfs/dbraw/zinc/11/78/03/1425117803.db2.gz AYCYOISVNYILMZ-FUHWJXTLSA-N 1 0 375.513 3.183 20 10 GGCDRO C[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000164574118 1425125848 /nfs/dbraw/zinc/12/58/48/1425125848.db2.gz GKTPWBRPNDHBLK-DOTOQJQBSA-N 1 0 393.503 3.322 20 10 GGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1ccc([S@](C)=O)cc1 ZINC000165188051 1425169250 /nfs/dbraw/zinc/16/92/50/1425169250.db2.gz YNGRLNSRPDBBNW-PVPMGCCUSA-N 1 0 376.497 3.251 20 10 GGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)cc1 ZINC000168064211 1425234968 /nfs/dbraw/zinc/23/49/68/1425234968.db2.gz QFLDNRJGRWEOAA-CYBMUJFWSA-N 1 0 393.475 3.107 20 10 GGCDRO C[C@@H]([NH2+][C@H]1CCN(c2ncccc2F)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000168225751 1425236475 /nfs/dbraw/zinc/23/64/75/1425236475.db2.gz HBIWEVINODNYJO-WBVHZDCISA-N 1 0 388.462 3.126 20 10 GGCDRO C[C@@H]([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)c1ccc(Br)cc1 ZINC000171118659 1425492261 /nfs/dbraw/zinc/49/22/61/1425492261.db2.gz WTBAEUDRSVPEGI-CQSZACIVSA-N 1 0 390.325 3.482 20 10 GGCDRO COCCC[NH+]1CCC(NC(=O)c2sccc2-n2c(C)ccc2C)CC1 ZINC000171122609 1425493199 /nfs/dbraw/zinc/49/31/99/1425493199.db2.gz LZESCZAONUQTBU-UHFFFAOYSA-N 1 0 375.538 3.386 20 10 GGCDRO CN(C)c1ccc(CNC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)cc1 ZINC000171139120 1425502853 /nfs/dbraw/zinc/50/28/53/1425502853.db2.gz LMNZULNNGGMVOI-NRFANRHFSA-N 1 0 380.536 3.116 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)Nc3ncc(C)s3)cc2F)CC1 ZINC000171687191 1425789241 /nfs/dbraw/zinc/78/92/41/1425789241.db2.gz ZFEPPSUAHBDCGE-UHFFFAOYSA-N 1 0 377.489 3.054 20 10 GGCDRO O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000172689820 1426144101 /nfs/dbraw/zinc/14/41/01/1426144101.db2.gz OPVCVIJPYUAJBR-HXUWFJFHSA-N 1 0 380.492 3.292 20 10 GGCDRO CCO[C@@H](C)c1noc(CN2CC[NH+](Cc3c(O)ccc4ccccc43)CC2)n1 ZINC000173383004 1426557561 /nfs/dbraw/zinc/55/75/61/1426557561.db2.gz BHVUYBGVGAEFJQ-INIZCTEOSA-N 1 0 396.491 3.344 20 10 GGCDRO CCC[N@H+](Cc1ccccc1O)[C@@H]1CCN(c2sccc2C(=O)OC)C1=O ZINC000173902921 1426885897 /nfs/dbraw/zinc/88/58/97/1426885897.db2.gz RVYGCTTXGLRDII-MRXNPFEDSA-N 1 0 388.489 3.258 20 10 GGCDRO CCN(CC)c1ccc(CNC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc1F ZINC000174250625 1427070014 /nfs/dbraw/zinc/07/00/14/1427070014.db2.gz RWPJGYQBRMBZFX-GOSISDBHSA-N 1 0 376.520 3.299 20 10 GGCDRO CC[N@H+](CC(=O)NCc1cccs1)Cc1cc(Br)ccc1O ZINC000174426215 1427151439 /nfs/dbraw/zinc/15/14/39/1427151439.db2.gz UGTLKYJAAOIZSS-UHFFFAOYSA-N 1 0 383.311 3.355 20 10 GGCDRO COc1cccc(CNC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)c1O ZINC000174460518 1427167214 /nfs/dbraw/zinc/16/72/14/1427167214.db2.gz JRIZWIFOAUAKOY-HNNXBMFYSA-N 1 0 389.521 3.174 20 10 GGCDRO CCOCc1cc(C[NH2+]CCCN2C(=O)COc3ccccc32)ccc1OC ZINC000174521037 1427200290 /nfs/dbraw/zinc/20/02/90/1427200290.db2.gz UKRFPZOGRAYMHA-UHFFFAOYSA-N 1 0 384.476 3.137 20 10 GGCDRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N(C)Cc1ccccc1O ZINC000174539238 1427211156 /nfs/dbraw/zinc/21/11/56/1427211156.db2.gz OQGINJPDFYQNQD-UHFFFAOYSA-N 1 0 398.507 3.207 20 10 GGCDRO CNC(=O)c1ccc(C[NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1 ZINC000174621346 1427268526 /nfs/dbraw/zinc/26/85/26/1427268526.db2.gz YGYBHWBTAUFYKS-KRWDZBQOSA-N 1 0 389.446 3.406 20 10 GGCDRO Cc1cc(C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)c(C)n1-c1ccccn1 ZINC000175118179 1427556179 /nfs/dbraw/zinc/55/61/79/1427556179.db2.gz KRNYHSJDVOKVIK-UHFFFAOYSA-N 1 0 396.535 3.206 20 10 GGCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)c1O ZINC000175575311 1427820103 /nfs/dbraw/zinc/82/01/03/1427820103.db2.gz VRXWERISZUZVNR-OAHLLOKOSA-N 1 0 386.471 3.431 20 10 GGCDRO COc1ccc(O)c([C@H](C)NC(=O)NCC[N@H+](C)Cc2ccc(F)cc2)c1 ZINC000175940655 1427985538 /nfs/dbraw/zinc/98/55/38/1427985538.db2.gz QSJQBUOMDSLGOP-AWEZNQCLSA-N 1 0 375.444 3.032 20 10 GGCDRO CCN(CC)c1ccc(CNC(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)cc1 ZINC000176038607 1428040050 /nfs/dbraw/zinc/04/00/50/1428040050.db2.gz QTMLWIHWJRQCJF-UHFFFAOYSA-N 1 0 397.523 3.015 20 10 GGCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000176056350 1428055704 /nfs/dbraw/zinc/05/57/04/1428055704.db2.gz LXNOKYMQBIDBPA-UHFFFAOYSA-N 1 0 396.535 3.110 20 10 GGCDRO COc1ccc(N2CC[NH+](Cc3ccc(-n4cncn4)c(C)c3)CC2)cc1F ZINC000180549993 1429895735 /nfs/dbraw/zinc/89/57/35/1429895735.db2.gz IGKXDCAUDSKDOX-UHFFFAOYSA-N 1 0 381.455 3.046 20 10 GGCDRO O=S(=O)(NC1CCCC1)[C@H]1CCC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000180556435 1429897034 /nfs/dbraw/zinc/89/70/34/1429897034.db2.gz ZMHRDNZTBYFZPJ-SFHVURJKSA-N 1 0 388.533 3.372 20 10 GGCDRO CC(C)OC(=O)C1(C(=O)OC(C)C)CC([NH2+]Cc2ccc(N(C)C)c(F)c2)C1 ZINC000180578794 1429908234 /nfs/dbraw/zinc/90/82/34/1429908234.db2.gz WLNCZRPAPMMQOT-UHFFFAOYSA-N 1 0 394.487 3.033 20 10 GGCDRO COc1cccc([C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2)[NH+]2CCCC2)c1 ZINC000180599074 1429923699 /nfs/dbraw/zinc/92/36/99/1429923699.db2.gz MAZGTQJDQDBUSA-RQMBKDMJSA-N 1 0 382.460 3.073 20 10 GGCDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180866149 1430076662 /nfs/dbraw/zinc/07/66/62/1430076662.db2.gz BFGQBTKWGJSDBC-YVKRRXEKSA-N 1 0 380.488 3.384 20 10 GGCDRO CCN(Cc1ccccc1)c1ccc(C[NH2+][C@H](CC(N)=O)C2CCOCC2)cc1 ZINC000180916304 1430112679 /nfs/dbraw/zinc/11/26/79/1430112679.db2.gz SFPDFUVARVAKPZ-HSZRJFAPSA-N 1 0 395.547 3.473 20 10 GGCDRO Cc1ccc(N2CC[C@@H]([NH2+][C@@H](C)c3ccc(N4CCOCC4)c(F)c3)C2=O)cc1 ZINC000181145109 1430225838 /nfs/dbraw/zinc/22/58/38/1430225838.db2.gz QRAZERDNBZBGNY-LAUBAEHRSA-N 1 0 397.494 3.427 20 10 GGCDRO CN(C)c1ccc(CN(C)C(=O)C[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)cc1 ZINC000181179277 1430239751 /nfs/dbraw/zinc/23/97/51/1430239751.db2.gz GAELJDADZUBQLL-NZQKXSOJSA-N 1 0 395.547 3.469 20 10 GGCDRO Cc1cc(N2CC[C@@H]([NH2+][C@H](C)c3ccc(N4CCCCC4)c(F)c3)C2=O)n(C)n1 ZINC000181189284 1430242852 /nfs/dbraw/zinc/24/28/52/1430242852.db2.gz QLEYRYHAXUABHH-VQIMIIECSA-N 1 0 399.514 3.314 20 10 GGCDRO C[C@@H]([NH2+]Cc1ccc([S@@](C)=O)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000181250639 1430256722 /nfs/dbraw/zinc/25/67/22/1430256722.db2.gz GTYIFOOAWJBNCN-PVPMGCCUSA-N 1 0 376.497 3.251 20 10 GGCDRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000181291407 1430264671 /nfs/dbraw/zinc/26/46/71/1430264671.db2.gz IXGVZYVEICCDGI-LJQANCHMSA-N 1 0 378.520 3.383 20 10 GGCDRO COCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccc(N3CCCCCC3)cc1)CC2 ZINC000181301476 1430267253 /nfs/dbraw/zinc/26/72/53/1430267253.db2.gz KEUSDXPHEYNCCD-MJGOQNOKSA-N 1 0 383.540 3.471 20 10 GGCDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000181306809 1430268453 /nfs/dbraw/zinc/26/84/53/1430268453.db2.gz MJBXQVNSDGVWJG-HWKANZROSA-N 1 0 381.476 3.271 20 10 GGCDRO [NH2+]=C1Nc2nc3ccccc3n2[C@@H](c2ccc(OCc3ccccc3)cc2O)N1 ZINC000181356434 1430281096 /nfs/dbraw/zinc/28/10/96/1430281096.db2.gz PFYIGFYAFBFOBI-FQEVSTJZSA-N 1 0 385.427 3.417 20 10 GGCDRO C[C@@H]([NH2+][C@H]1CCO[C@]2(CCSC2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000181456499 1430303610 /nfs/dbraw/zinc/30/36/10/1430303610.db2.gz MVMQLUZATCAHMQ-OXFYSEKESA-N 1 0 380.529 3.368 20 10 GGCDRO C[C@@H](NC(=O)/C=C/c1ccc(N2CCOCC2)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181644866 1430333933 /nfs/dbraw/zinc/33/39/33/1430333933.db2.gz MBYAMMBSYDZQMS-WYUKIMKNSA-N 1 0 397.563 3.306 20 10 GGCDRO C[C@H](NC(=O)/C=C/c1ccc(N2CCOCC2)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181644813 1430334190 /nfs/dbraw/zinc/33/41/90/1430334190.db2.gz MBYAMMBSYDZQMS-PSUSJVNBSA-N 1 0 397.563 3.306 20 10 GGCDRO CC[C@@H]([NH2+]CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(C)cc1 ZINC000181699415 1430343796 /nfs/dbraw/zinc/34/37/96/1430343796.db2.gz MDFYKMPFXPAWDL-OAQYLSRUSA-N 1 0 399.510 3.328 20 10 GGCDRO C[C@@H]([NH2+]C[C@](C)(O)c1ccc(F)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000181794761 1430361757 /nfs/dbraw/zinc/36/17/57/1430361757.db2.gz YQNLZKPDKQKFKX-VFNWGFHPSA-N 1 0 376.447 3.360 20 10 GGCDRO C[C@H]([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)c1cccc(N2CCCC2)c1 ZINC000181867885 1430374368 /nfs/dbraw/zinc/37/43/68/1430374368.db2.gz WLIUFUVQYGATHI-SFHVURJKSA-N 1 0 380.536 3.320 20 10 GGCDRO C[C@@H]([NH2+]C[C@@H]1COC2(CCCCC2)O1)c1ccc(N2CCOCC2)c(F)c1 ZINC000182131025 1430417257 /nfs/dbraw/zinc/41/72/57/1430417257.db2.gz VZOPQTUSARBWNI-SJLPKXTDSA-N 1 0 378.488 3.389 20 10 GGCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)NCCc2nc3ccccc3s2)c1 ZINC000182397575 1430459725 /nfs/dbraw/zinc/45/97/25/1430459725.db2.gz QDRRHGWYEYNUBR-ZDUSSCGKSA-N 1 0 385.489 3.020 20 10 GGCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)Nc2nc3ccc(F)cc3s2)c1 ZINC000182404277 1430461455 /nfs/dbraw/zinc/46/14/55/1430461455.db2.gz GAENNFSUELNLNN-JTQLQIEISA-N 1 0 375.425 3.439 20 10 GGCDRO COc1ccc(O)c(C[NH2+]Cc2ccc(N(C)C(=O)c3ccncc3)cc2)c1 ZINC000182416368 1430464055 /nfs/dbraw/zinc/46/40/55/1430464055.db2.gz VFHXLTBAWHDYSZ-UHFFFAOYSA-N 1 0 377.444 3.362 20 10 GGCDRO COc1ccc(CN(C(=O)C[NH2+][C@H](C)c2cc(OC)ccc2O)C2CC2)cc1 ZINC000182443302 1430468511 /nfs/dbraw/zinc/46/85/11/1430468511.db2.gz ZAYNVISMOXJLFF-OAHLLOKOSA-N 1 0 384.476 3.251 20 10 GGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)N(Cc2ccco2)CC(F)(F)F)c1 ZINC000182458909 1430471209 /nfs/dbraw/zinc/47/12/09/1430471209.db2.gz NFMMKQGJMGCIKV-GFCCVEGCSA-N 1 0 386.370 3.236 20 10 GGCDRO COc1ccc([C@H](NC(=O)C[NH2+][C@H](C)c2cc(OC)ccc2O)C2CC2)cc1 ZINC000182462996 1430471867 /nfs/dbraw/zinc/47/18/67/1430471867.db2.gz NJPTVFHJDBWCKJ-JLCFBVMHSA-N 1 0 384.476 3.328 20 10 GGCDRO CC(=O)Nc1cccc([C@@H](C)[NH2+]CC(=O)N(C)Cc2ccc(N(C)C)cc2)c1 ZINC000182522300 1430482911 /nfs/dbraw/zinc/48/29/11/1430482911.db2.gz KRIDITNZQTXOCP-MRXNPFEDSA-N 1 0 382.508 3.020 20 10 GGCDRO C[C@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182569851 1430494842 /nfs/dbraw/zinc/49/48/42/1430494842.db2.gz CPYXMBKDXZCJKR-RDJZCZTQSA-N 1 0 376.520 3.344 20 10 GGCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@H](C)c1cc3ccccc3o1)cc2=O ZINC000182623562 1430504585 /nfs/dbraw/zinc/50/45/85/1430504585.db2.gz DIFDIBATGXLWNI-GFCCVEGCSA-N 1 0 380.404 3.209 20 10 GGCDRO CN(C(=O)c1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc2c(cc1O)OCO2 ZINC000182651456 1430510475 /nfs/dbraw/zinc/51/04/75/1430510475.db2.gz JWUFFAFZMLGTHV-DFNIBXOVSA-N 1 0 394.471 3.389 20 10 GGCDRO C[C@@H](CCNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)[NH+]1CCCCC1 ZINC000182683782 1430516802 /nfs/dbraw/zinc/51/68/02/1430516802.db2.gz IVJRTWRZRLVHII-AZUAARDMSA-N 1 0 389.540 3.347 20 10 GGCDRO COc1ccc(O)c([C@H](C)NC(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000182880754 1430560985 /nfs/dbraw/zinc/56/09/85/1430560985.db2.gz YGHVIUAKHWXOCX-OWCLPIDISA-N 1 0 375.513 3.414 20 10 GGCDRO CCCN(Cc1ccccc1O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000182889377 1430563032 /nfs/dbraw/zinc/56/30/32/1430563032.db2.gz OVQVFEYVTQJARY-NRFANRHFSA-N 1 0 397.519 3.081 20 10 GGCDRO CC(C)[NH+](CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)C(C)C ZINC000183066030 1430603954 /nfs/dbraw/zinc/60/39/54/1430603954.db2.gz WHOGDUYQFSKROT-IAGOWNOFSA-N 1 0 379.520 3.174 20 10 GGCDRO Oc1cc(OCc2ccccc2)ccc1CN1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000183111794 1430616935 /nfs/dbraw/zinc/61/69/35/1430616935.db2.gz JDYABKQVZYHKMR-HXUWFJFHSA-N 1 0 382.504 3.125 20 10 GGCDRO Oc1cc(OCc2ccccc2)ccc1C[N@@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000183128881 1430623100 /nfs/dbraw/zinc/62/31/00/1430623100.db2.gz XMOJRCJLRFDSKY-IBGZPJMESA-N 1 0 378.476 3.475 20 10 GGCDRO COc1cc(O)c(C[NH2+]CCCc2nc(-c3ccc(F)cc3)no2)cc1OC ZINC000183178363 1430639795 /nfs/dbraw/zinc/63/97/95/1430639795.db2.gz NHXNBXLMHIHENT-UHFFFAOYSA-N 1 0 387.411 3.321 20 10 GGCDRO CC[C@H]([NH2+]CCC(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccccc1O ZINC000183331195 1430681151 /nfs/dbraw/zinc/68/11/51/1430681151.db2.gz BUAFUBMBOWTVAC-FQEVSTJZSA-N 1 0 385.483 3.311 20 10 GGCDRO C[C@@H]([NH2+]CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)[C@H](C)c1ccccc1 ZINC000183367417 1430691427 /nfs/dbraw/zinc/69/14/27/1430691427.db2.gz AQINEALXDMSHAR-ZWKOTPCHSA-N 1 0 399.510 3.060 20 10 GGCDRO COc1ccc(CN2CCC[N@H+](Cc3cc(OC)c(OC)cc3O)CC2)cc1 ZINC000183444206 1430713572 /nfs/dbraw/zinc/71/35/72/1430713572.db2.gz GSCWGMZHXBHGIT-UHFFFAOYSA-N 1 0 386.492 3.126 20 10 GGCDRO C[C@H]([NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1)c1cccc(-n2cccn2)c1 ZINC000183563562 1430742944 /nfs/dbraw/zinc/74/29/44/1430742944.db2.gz VGMSCPRTAQWVGZ-SFHVURJKSA-N 1 0 391.519 3.248 20 10 GGCDRO COc1cc(N2CC[NH+]([C@H](C)c3ccc(C#N)cc3)CC2)cc(OC)c1OC ZINC000183696297 1430775375 /nfs/dbraw/zinc/77/53/75/1430775375.db2.gz POFPTNSVGXCPFO-MRXNPFEDSA-N 1 0 381.476 3.467 20 10 GGCDRO COc1cc(N2CC[NH+](Cc3ccccc3N(C)C)CC2)cc(OC)c1OC ZINC000183704856 1430777720 /nfs/dbraw/zinc/77/77/20/1430777720.db2.gz JONIHNYRHSTMEK-UHFFFAOYSA-N 1 0 385.508 3.101 20 10 GGCDRO C[C@H]([NH2+]Cc1ccc(N2CCOC2=O)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000183730698 1430782713 /nfs/dbraw/zinc/78/27/13/1430782713.db2.gz ZEBBTHQNMNLBDI-INIZCTEOSA-N 1 0 399.466 3.470 20 10 GGCDRO COc1cc(N2CC[NH+](Cc3cc(C)c(C)cc3O)CC2)cc(OC)c1OC ZINC000184067907 1430836912 /nfs/dbraw/zinc/83/69/12/1430836912.db2.gz FLNLMJQVWXCGQS-UHFFFAOYSA-N 1 0 386.492 3.357 20 10 GGCDRO COC(=O)c1cn(C2CC[NH+](Cc3cc(C)cc(C(C)(C)C)c3O)CC2)nn1 ZINC000184072536 1430837468 /nfs/dbraw/zinc/83/74/68/1430837468.db2.gz SCFIZBROZIQWGK-UHFFFAOYSA-N 1 0 386.496 3.213 20 10 GGCDRO Cc1cc(C(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)c(C)n1-c1cccc(C)c1 ZINC000184079263 1430838529 /nfs/dbraw/zinc/83/85/29/1430838529.db2.gz LOULGWYLXXSUCD-SFHVURJKSA-N 1 0 382.552 3.158 20 10 GGCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3cccc(N4CCCC4=O)c3)c2)CC1 ZINC000184260006 1430863732 /nfs/dbraw/zinc/86/37/32/1430863732.db2.gz MCCDNENACHTDFT-UHFFFAOYSA-N 1 0 392.503 3.208 20 10 GGCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3ccc(-n4cccn4)c(F)c3)c2)CC1 ZINC000184274940 1430866178 /nfs/dbraw/zinc/86/61/78/1430866178.db2.gz CSPVRWWOLCUMNA-UHFFFAOYSA-N 1 0 393.466 3.406 20 10 GGCDRO Cc1c(-c2cc(C[N@@H+](Cc3ccccc3O)C[C@@H]3CCCO3)on2)cnn1C ZINC000184653778 1430930896 /nfs/dbraw/zinc/93/08/96/1430930896.db2.gz OQVZXWZEMNTAFU-KRWDZBQOSA-N 1 0 382.464 3.270 20 10 GGCDRO CC[NH+]1CCN(c2cccc(NC(=O)NCc3ccc(N(C)C)cc3)c2)CC1 ZINC000184904445 1431017784 /nfs/dbraw/zinc/01/77/84/1431017784.db2.gz NOOQKLHQRJTOOW-UHFFFAOYSA-N 1 0 381.524 3.216 20 10 GGCDRO Cc1ccc(S(=O)(=O)N2CCC([NH2+][C@H](C)c3cc(F)ccc3O)CC2)cc1 ZINC000184962031 1431031824 /nfs/dbraw/zinc/03/18/24/1431031824.db2.gz YVZGPCUIBSARSJ-OAHLLOKOSA-N 1 0 392.496 3.344 20 10 GGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)c2ccc(OCC(=O)NC3CC3)cc2)c1 ZINC000185058554 1431051440 /nfs/dbraw/zinc/05/14/40/1431051440.db2.gz NEDMESNANONHCJ-HUUCEWRRSA-N 1 0 384.476 3.470 20 10 GGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(CS(=O)(=O)NC(C)C)cc2)c1 ZINC000185135974 1431069487 /nfs/dbraw/zinc/06/94/87/1431069487.db2.gz XHEZDXMOYHATLH-OAHLLOKOSA-N 1 0 392.521 3.079 20 10 GGCDRO C[C@@H]([NH2+]C[C@]1(N2CCOCC2)CCSC1)c1cc2c(cc1O)CCCC2 ZINC000185141006 1431070695 /nfs/dbraw/zinc/07/06/95/1431070695.db2.gz ZGVOFARRDVNZOM-IIBYNOLFSA-N 1 0 376.566 3.130 20 10 GGCDRO C[C@@H]([NH2+]C[C@@]1(N2CCOCC2)CCSC1)c1cc2c(cc1O)CCCC2 ZINC000185141043 1431071124 /nfs/dbraw/zinc/07/11/24/1431071124.db2.gz ZGVOFARRDVNZOM-IERDGZPVSA-N 1 0 376.566 3.130 20 10 GGCDRO C[C@@H]([NH2+]CCS(=O)(=O)NCc1ccccc1)c1ccc2ccccc2c1O ZINC000185161346 1431074580 /nfs/dbraw/zinc/07/45/80/1431074580.db2.gz CLZHHBABROGDIH-MRXNPFEDSA-N 1 0 384.501 3.316 20 10 GGCDRO COc1cc(C[NH2+][C@H](C)c2ccc3ccccc3c2O)ccc1OCC(N)=O ZINC000185204855 1431084598 /nfs/dbraw/zinc/08/45/98/1431084598.db2.gz FWCOFOPBMUHKSV-CQSZACIVSA-N 1 0 380.444 3.269 20 10 GGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C2CCN(C(=O)Cc3ccccc3OC)CC2)c1 ZINC000185255103 1431094889 /nfs/dbraw/zinc/09/48/89/1431094889.db2.gz RBQYWTBQPJSLAV-MRXNPFEDSA-N 1 0 398.503 3.294 20 10 GGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ccccc2CS(=O)(=O)NC(C)C)c1 ZINC000185355906 1431124894 /nfs/dbraw/zinc/12/48/94/1431124894.db2.gz ZWWWAAYSWSWFKA-MRXNPFEDSA-N 1 0 376.522 3.379 20 10 GGCDRO COc1ccc(O)c(C[NH2+][C@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)c1 ZINC000185655164 1431197055 /nfs/dbraw/zinc/19/70/55/1431197055.db2.gz NMKZXLWWBUQNLZ-HNNXBMFYSA-N 1 0 394.393 3.310 20 10 GGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCN(Cc3cc(OC)cc(OC)c3)C2)c1 ZINC000185681519 1431204449 /nfs/dbraw/zinc/20/44/49/1431204449.db2.gz NGFMARAJOHLOHJ-NVXWUHKLSA-N 1 0 386.492 3.343 20 10 GGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCN(Cc3cc(OC)cc(OC)c3)C2)c1 ZINC000185681556 1431204489 /nfs/dbraw/zinc/20/44/89/1431204489.db2.gz NGFMARAJOHLOHJ-WBVHZDCISA-N 1 0 386.492 3.343 20 10 GGCDRO C[C@@H]([NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1)c1ccc2ccccc2c1O ZINC000186025996 1431313353 /nfs/dbraw/zinc/31/33/53/1431313353.db2.gz LENNNNZEVYYFCC-CYBMUJFWSA-N 1 0 398.475 3.460 20 10 GGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C2CCN(S(=O)(=O)Cc3ccccc3)CC2)c1 ZINC000186055102 1431320687 /nfs/dbraw/zinc/32/06/87/1431320687.db2.gz DRDIJKSPYVAMRC-KRWDZBQOSA-N 1 0 388.533 3.346 20 10 GGCDRO C[C@@H]([NH2+]C1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1cc(F)ccc1O ZINC000186055275 1431320783 /nfs/dbraw/zinc/32/07/83/1431320783.db2.gz KMHFLENUUXQJAC-OAHLLOKOSA-N 1 0 392.496 3.176 20 10 GGCDRO Cc1ccc([C@@H](C)[NH2+]C2CCN(S(=O)(=O)Cc3ccccc3)CC2)c(O)c1 ZINC000186055176 1431320791 /nfs/dbraw/zinc/32/07/91/1431320791.db2.gz CCNDUDZNQAQKMI-QGZVFWFLSA-N 1 0 388.533 3.346 20 10 GGCDRO Cc1ccc([C@H](C)[NH2+]C2CCN(S(=O)(=O)Cc3ccccc3)CC2)c(O)c1 ZINC000186055195 1431320880 /nfs/dbraw/zinc/32/08/80/1431320880.db2.gz CCNDUDZNQAQKMI-KRWDZBQOSA-N 1 0 388.533 3.346 20 10 GGCDRO C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1ccc(F)cc1[O-] ZINC000186055851 1431320892 /nfs/dbraw/zinc/32/08/92/1431320892.db2.gz KPHBCPMZSQIETA-INIZCTEOSA-N 1 0 385.483 3.208 20 10 GGCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(N3CCCS3(=O)=O)c(F)c2)c(O)c1 ZINC000186704923 1431496825 /nfs/dbraw/zinc/49/68/25/1431496825.db2.gz ZKYAHFJHZHPEFL-AWEZNQCLSA-N 1 0 378.469 3.230 20 10 GGCDRO COC(=O)N1CCC([C@H](C)[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000186765195 1431510772 /nfs/dbraw/zinc/51/07/72/1431510772.db2.gz IEUAXVFMBOBZGP-HOTGVXAUSA-N 1 0 393.503 3.180 20 10 GGCDRO O=C(c1cccc(O)c1O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000186812494 1431524750 /nfs/dbraw/zinc/52/47/50/1431524750.db2.gz OFXMYOJXPXKDSD-UHFFFAOYSA-N 1 0 394.393 3.465 20 10 GGCDRO COc1ccc(N2CC[NH+](Cc3ccc4c(c3)CCC(=O)N4C)CC2)cc1F ZINC000187102763 1431616218 /nfs/dbraw/zinc/61/62/18/1431616218.db2.gz TVZZCDREGSEEGN-UHFFFAOYSA-N 1 0 383.467 3.066 20 10 GGCDRO COc1cccc(CNC(=O)N[C@H](C[N@H+](C)Cc2ccccc2)C(C)C)c1O ZINC000187481235 1431744802 /nfs/dbraw/zinc/74/48/02/1431744802.db2.gz QOUCKKULYPBPNV-LJQANCHMSA-N 1 0 385.508 3.357 20 10 GGCDRO Cc1nccnc1[C@@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000187791852 1431812809 /nfs/dbraw/zinc/81/28/09/1431812809.db2.gz WODFPZHLCNUTBA-CQSZACIVSA-N 1 0 380.414 3.491 20 10 GGCDRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1cccc(O)c1O ZINC000188312035 1431871937 /nfs/dbraw/zinc/87/19/37/1431871937.db2.gz RQFJWOQNJXYMIO-UHFFFAOYSA-N 1 0 382.382 3.321 20 10 GGCDRO CCCN(CCC[NH+](C)C)C(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000189273745 1432076101 /nfs/dbraw/zinc/07/61/01/1432076101.db2.gz IZOPTKQWVYRAEL-UHFFFAOYSA-N 1 0 376.545 3.037 20 10 GGCDRO C[C@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000189341310 1432090009 /nfs/dbraw/zinc/09/00/09/1432090009.db2.gz RGZLJPGMZASXKB-QGZVFWFLSA-N 1 0 387.549 3.486 20 10 GGCDRO COc1cccc(C[N@H+](C)[C@H](C)c2cccc(N3CCCS3(=O)=O)c2)c1O ZINC000189981506 1432297736 /nfs/dbraw/zinc/29/77/36/1432297736.db2.gz ODTVSRDHJOGFGR-OAHLLOKOSA-N 1 0 390.505 3.134 20 10 GGCDRO COc1ccc(O)c(C[N@H+](C)[C@@H](C)c2cccc(N3CCCS3(=O)=O)c2)c1 ZINC000189982399 1432297850 /nfs/dbraw/zinc/29/78/50/1432297850.db2.gz JZIFBNNQTATSLI-HNNXBMFYSA-N 1 0 390.505 3.134 20 10 GGCDRO CC(C)N(C)c1ccc(C[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)cn1 ZINC000190857371 1432510406 /nfs/dbraw/zinc/51/04/06/1432510406.db2.gz QQKANSWSFCUEDL-UHFFFAOYSA-N 1 0 386.515 3.316 20 10 GGCDRO CC(C)N(C)c1ccc(C[NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)cn1 ZINC000190857622 1432510460 /nfs/dbraw/zinc/51/04/60/1432510460.db2.gz VKEZDBYCONPFOQ-UHFFFAOYSA-N 1 0 382.552 3.425 20 10 GGCDRO CCCC[C@H]1CCC[C@H]1[NH2+]CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000191828209 1432733891 /nfs/dbraw/zinc/73/38/91/1432733891.db2.gz QXGTVIJGIPKNOM-AZUAARDMSA-N 1 0 391.531 3.227 20 10 GGCDRO COc1cccc2c1CC[C@@H]([NH2+]Cc1ccc(N3CCC(O)CC3)c(F)c1)C2 ZINC000192440066 1432844997 /nfs/dbraw/zinc/84/49/97/1432844997.db2.gz BWCVIZKSYKVASO-GOSISDBHSA-N 1 0 384.495 3.443 20 10 GGCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000193006389 1432921131 /nfs/dbraw/zinc/92/11/31/1432921131.db2.gz LTJYGRDNWYFWHY-UHFFFAOYSA-N 1 0 382.508 3.249 20 10 GGCDRO CCOC1CC(C[NH2+][C@H](C)c2ccc3ccccc3c2O)(N2CCOCC2)C1 ZINC000193396793 1432990974 /nfs/dbraw/zinc/99/09/74/1432990974.db2.gz XDBGPDTWCINLHH-IMHYJWESSA-N 1 0 384.520 3.466 20 10 GGCDRO CCOC1CC(C[NH2+][C@H](C)c2cc3c(cc2O)CCCC3)(N2CCOCC2)C1 ZINC000193397034 1432990984 /nfs/dbraw/zinc/99/09/84/1432990984.db2.gz OFBGJFZBASWJLP-WMAFBANVSA-N 1 0 388.552 3.192 20 10 GGCDRO CCN(CC)c1ccc(CNC(=O)NC2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000193406420 1432992568 /nfs/dbraw/zinc/99/25/68/1432992568.db2.gz NDMCCKWLTPZNAK-UHFFFAOYSA-N 1 0 395.551 3.392 20 10 GGCDRO CN(Cc1ccccc1O)C(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000193418861 1432995079 /nfs/dbraw/zinc/99/50/79/1432995079.db2.gz IKNVEOHXELUYOS-UHFFFAOYSA-N 1 0 396.535 3.136 20 10 GGCDRO COc1ccc(N2CCCN(C(=O)NC[C@@H](c3ccccc3)[NH+](C)C)CC2)cc1 ZINC000193606206 1433027588 /nfs/dbraw/zinc/02/75/88/1433027588.db2.gz GJSBFCUCGXAYJF-QFIPXVFZSA-N 1 0 396.535 3.220 20 10 GGCDRO COc1ccc(N2CCC[N@H+](Cc3cc(=O)oc4cc(O)ccc34)CC2)cc1 ZINC000193767420 1433055581 /nfs/dbraw/zinc/05/55/81/1433055581.db2.gz SUTMFUJBXQPNOJ-UHFFFAOYSA-N 1 0 380.444 3.220 20 10 GGCDRO CN(C)c1ccc(CNC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1F ZINC000194115494 1433120017 /nfs/dbraw/zinc/12/00/17/1433120017.db2.gz SMSIAOWSZHUXBI-IBGZPJMESA-N 1 0 384.499 3.213 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CCCc4cccnc43)cc2F)CC1 ZINC000194309683 1433159116 /nfs/dbraw/zinc/15/91/16/1433159116.db2.gz PVNGECVYNLBEQG-IBGZPJMESA-N 1 0 396.510 3.099 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NCC3(SC)CCC3)cc2F)CC1 ZINC000194957643 1433272277 /nfs/dbraw/zinc/27/22/77/1433272277.db2.gz VISBGUGQNNNENL-UHFFFAOYSA-N 1 0 394.560 3.053 20 10 GGCDRO CCCN(Cc1cc(Cl)c(OCC(N)=O)c(OC)c1)c1ccc(C[NH3+])cc1 ZINC000194977487 1433275705 /nfs/dbraw/zinc/27/57/05/1433275705.db2.gz XKPLMTRCTCSXPI-UHFFFAOYSA-N 1 0 391.899 3.088 20 10 GGCDRO C[C@H](C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)NC(=O)OC(C)(C)C ZINC000195143200 1433299043 /nfs/dbraw/zinc/29/90/43/1433299043.db2.gz KIGAYTHRAJBGRW-CABCVRRESA-N 1 0 381.492 3.226 20 10 GGCDRO Oc1ccccc1C[N@H+](C[C@@H](O)COCc1ccccc1F)C[C@@H]1CCCO1 ZINC000216396773 1433363524 /nfs/dbraw/zinc/36/35/24/1433363524.db2.gz XZWZGGPSEUQMLF-UXHICEINSA-N 1 0 389.467 3.090 20 10 GGCDRO CC(C)CNC(=O)NC(=O)C[N@H+](Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000216483203 1433363847 /nfs/dbraw/zinc/36/38/47/1433363847.db2.gz QMWJHDMOIXFFJN-KRWDZBQOSA-N 1 0 383.492 3.437 20 10 GGCDRO COc1ccc(N2CCN(C(=O)C[NH2+][C@H](C)c3cc4ccccc4o3)CC2)cc1 ZINC000216690788 1433364042 /nfs/dbraw/zinc/36/40/42/1433364042.db2.gz BIQIRIQQDYNYST-QGZVFWFLSA-N 1 0 393.487 3.441 20 10 GGCDRO CCCOc1ccc(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c(O)c1 ZINC000236836709 1433380597 /nfs/dbraw/zinc/38/05/97/1433380597.db2.gz XGZLXESHCKOBAV-HNNXBMFYSA-N 1 0 392.521 3.282 20 10 GGCDRO CCOc1cccc(C[NH2+]Cc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)c1O ZINC000236911892 1433383015 /nfs/dbraw/zinc/38/30/15/1433383015.db2.gz NCDQWNNPEVTDLK-IRXDYDNUSA-N 1 0 398.503 3.330 20 10 GGCDRO CCOc1cccc(C[NH2+]Cc2ccc(S(=O)(=O)N(CC)CC)cc2)c1O ZINC000236949783 1433383678 /nfs/dbraw/zinc/38/36/78/1433383678.db2.gz AZQNCFCZEAFNOQ-UHFFFAOYSA-N 1 0 392.521 3.111 20 10 GGCDRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+]Cc2ccc(OC)c(C)c2)s1 ZINC000236994838 1433385322 /nfs/dbraw/zinc/38/53/22/1433385322.db2.gz OUBXUHBYRIVCLS-UHFFFAOYSA-N 1 0 396.578 3.428 20 10 GGCDRO CCOc1ccc(O)c(C[NH2+]Cc2ccc(S(=O)(=O)N(C)C(C)C)cc2)c1 ZINC000237052406 1433387434 /nfs/dbraw/zinc/38/74/34/1433387434.db2.gz QSLQPJNSFBNXJP-UHFFFAOYSA-N 1 0 392.521 3.110 20 10 GGCDRO COc1ccc(N2CCN(CCC[NH2+]Cc3cccc(F)c3F)CC2)cc1 ZINC000237272664 1433395274 /nfs/dbraw/zinc/39/52/74/1433395274.db2.gz PCTHFEFTBKRDPS-UHFFFAOYSA-N 1 0 375.463 3.275 20 10 GGCDRO COc1ccc(N2CCN(CCC[NH2+]Cc3ccc(N(C)C)cc3)CC2)cc1 ZINC000237271931 1433395316 /nfs/dbraw/zinc/39/53/16/1433395316.db2.gz XHPAERBPGSLVGK-UHFFFAOYSA-N 1 0 382.552 3.063 20 10 GGCDRO COc1ccc([C@H](C[NH2+]Cc2cc3c(cc2O)OCO3)N2CCCCC2)cc1 ZINC000237355635 1433398790 /nfs/dbraw/zinc/39/87/90/1433398790.db2.gz FTNFZYKRYSLQFX-IBGZPJMESA-N 1 0 384.476 3.446 20 10 GGCDRO COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)C[C@H]2CSCC[NH2+]2)cc1 ZINC000237452108 1433403757 /nfs/dbraw/zinc/40/37/57/1433403757.db2.gz VWDXMAKANKQOJS-SFHVURJKSA-N 1 0 399.560 3.390 20 10 GGCDRO C[C@@H](NC(=O)C1(c2ccccc2)CC[NH2+]CC1)c1ccc(N2CCOCC2)cc1 ZINC000237507775 1433406858 /nfs/dbraw/zinc/40/68/58/1433406858.db2.gz ZQGPESDUVCNFTQ-LJQANCHMSA-N 1 0 393.531 3.022 20 10 GGCDRO COc1ccc(-n2c(C)cc(C(=O)N3CCC(OCCC[NH3+])CC3)c2C)cc1 ZINC000237504467 1433407098 /nfs/dbraw/zinc/40/70/98/1433407098.db2.gz RWTCCYGDCJJVAJ-UHFFFAOYSA-N 1 0 385.508 3.073 20 10 GGCDRO C[C@H](NC(=O)C1(c2ccccc2)CC[NH2+]CC1)c1ccc(N2CCOCC2)cc1 ZINC000237565652 1433410013 /nfs/dbraw/zinc/41/00/13/1433410013.db2.gz ZQGPESDUVCNFTQ-IBGZPJMESA-N 1 0 393.531 3.022 20 10 GGCDRO [NH3+]CCCCCCC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000237990999 1433438596 /nfs/dbraw/zinc/43/85/96/1433438596.db2.gz UPLFBHBGEJDJGM-UHFFFAOYSA-N 1 0 387.446 3.067 20 10 GGCDRO CCOc1ccc(NC(=O)CC[NH+]2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000243295407 1433449205 /nfs/dbraw/zinc/44/92/05/1433449205.db2.gz LFRQGLWWNWAVGQ-UHFFFAOYSA-N 1 0 383.492 3.245 20 10 GGCDRO COc1ccc(N2CCC(NC(=O)N[C@@H](C)C[N@@H+]3CCC[C@@H](C)C3)CC2)cc1 ZINC000245386068 1433456610 /nfs/dbraw/zinc/45/66/10/1433456610.db2.gz JTDUMOUOUAMKSC-MSOLQXFVSA-N 1 0 388.556 3.084 20 10 GGCDRO COc1ccc(O)c(C[NH2+][C@@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)c1 ZINC000245835350 1433523617 /nfs/dbraw/zinc/52/36/17/1433523617.db2.gz CKFORHDKUBHARJ-PMACEKPBSA-N 1 0 376.884 3.216 20 10 GGCDRO Oc1ccccc1C[N@H+](C[C@@H](O)COc1cccc2[nH]ccc21)C[C@H]1CCCO1 ZINC000247673884 1433746055 /nfs/dbraw/zinc/74/60/55/1433746055.db2.gz YWPRSGNLNSXVDY-RTBURBONSA-N 1 0 396.487 3.294 20 10 GGCDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000248763148 1433820949 /nfs/dbraw/zinc/82/09/49/1433820949.db2.gz GSQYIKPTCIJWAT-WMZHIEFXSA-N 1 0 390.531 3.383 20 10 GGCDRO C[C@@H]1CN(c2ccc(CNC(=O)C[NH2+][C@@H]3CCCC[C@H]3C)cc2F)C[C@@H](C)O1 ZINC000249369504 1433841846 /nfs/dbraw/zinc/84/18/46/1433841846.db2.gz WFNZCGVNTVDVSD-WOCWXWTJSA-N 1 0 391.531 3.224 20 10 GGCDRO CN1CCc2cc(/C=C3/SC(=S)N(CC(C)(C)C[NH+](C)C)C3=O)ccc21 ZINC000255338905 1433880883 /nfs/dbraw/zinc/88/08/83/1433880883.db2.gz BDXFBYUVTNPFDZ-GZTJUZNOSA-N 1 0 389.590 3.468 20 10 GGCDRO C[NH+]1CCC(CNC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1 ZINC000255639405 1433887066 /nfs/dbraw/zinc/88/70/66/1433887066.db2.gz FOYFBMAMFXQGDU-UHFFFAOYSA-N 1 0 379.464 3.499 20 10 GGCDRO Cc1cc(C(=O)NC2CC[NH2+]CC2)c(C)n1-c1ccc(Br)cc1 ZINC000262524569 1433942330 /nfs/dbraw/zinc/94/23/30/1433942330.db2.gz ZRCPNWAWHUWVKK-UHFFFAOYSA-N 1 0 376.298 3.338 20 10 GGCDRO CCC[N@@H+](Cc1ccccc1O)C[C@@H](O)COc1c(OC)cccc1OC ZINC000263909026 1434047927 /nfs/dbraw/zinc/04/79/27/1434047927.db2.gz JJXMVWPFNRTTSA-QGZVFWFLSA-N 1 0 375.465 3.061 20 10 GGCDRO CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CC[N@H+](CCCOCC)C[C@@H]1C ZINC000265225013 1434202691 /nfs/dbraw/zinc/20/26/91/1434202691.db2.gz MBLQETHOKYPFSC-AZUAARDMSA-N 1 0 391.556 3.451 20 10 GGCDRO COc1ccc(C[NH2+]C2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)cc1C ZINC000265523470 1434242255 /nfs/dbraw/zinc/24/22/55/1434242255.db2.gz OJANEFSEOMIZJS-UHFFFAOYSA-N 1 0 398.503 3.415 20 10 GGCDRO COc1cccc([C@@H](CNC(=O)NCc2cccc(OC)c2O)[NH+]2CCCC2)c1 ZINC000266643395 1434358013 /nfs/dbraw/zinc/35/80/13/1434358013.db2.gz COMAGHBZPHYLGT-LJQANCHMSA-N 1 0 399.491 3.046 20 10 GGCDRO COc1cccc(CNC(=O)NC[C@@H](c2ccccc2OC)[NH+]2CCCC2)c1O ZINC000266658041 1434360137 /nfs/dbraw/zinc/36/01/37/1434360137.db2.gz HIOFZOIHFBKEAZ-SFHVURJKSA-N 1 0 399.491 3.046 20 10 GGCDRO O=C(NCCCOC1CC[NH+](Cc2ccccc2)CC1)NCc1ccccc1O ZINC000267304159 1434421024 /nfs/dbraw/zinc/42/10/24/1434421024.db2.gz LBISNXMSGWPMHE-UHFFFAOYSA-N 1 0 397.519 3.263 20 10 GGCDRO C[C@@H]([NH2+]Cc1ccccc1Cn1cncn1)c1ccc(N2CCOCC2)c(F)c1 ZINC000268775340 1434555868 /nfs/dbraw/zinc/55/58/68/1434555868.db2.gz RKTRMISNEHUBAQ-QGZVFWFLSA-N 1 0 395.482 3.153 20 10 GGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1cccc(N2CCOCC2)c1 ZINC000268898289 1434568755 /nfs/dbraw/zinc/56/87/55/1434568755.db2.gz VXTCSLUTCYMWOY-GOSISDBHSA-N 1 0 399.510 3.350 20 10 GGCDRO C[NH+]1CCN(c2ccc(NC(=O)Cc3ccc(N)cc3)c(C(F)(F)F)c2)CC1 ZINC000269280865 1434617025 /nfs/dbraw/zinc/61/70/25/1434617025.db2.gz FJLHRFBCNWEZGU-UHFFFAOYSA-N 1 0 392.425 3.221 20 10 GGCDRO O=C(C1CC[NH+](Cc2cc(-c3ccccc3)ccc2O)CC1)N1CCOCC1 ZINC000271050236 1434798796 /nfs/dbraw/zinc/79/87/96/1434798796.db2.gz UVUANNYGCQFQJU-UHFFFAOYSA-N 1 0 380.488 3.130 20 10 GGCDRO Cc1nn(C)c(N2CCOCC2)c1C[N@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000271062494 1434799572 /nfs/dbraw/zinc/79/95/72/1434799572.db2.gz HJSKKARPZYJGJG-UHFFFAOYSA-N 1 0 385.556 3.042 20 10 GGCDRO COc1cc(O)c(C[NH+]2CCC(CNC(=O)OC(C)(C)C)CC2)cc1OC ZINC000271106328 1434802227 /nfs/dbraw/zinc/80/22/27/1434802227.db2.gz RQLIIXGIYTVSSB-UHFFFAOYSA-N 1 0 380.485 3.146 20 10 GGCDRO O=C(Nc1ccc(F)cc1)NC1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000271128595 1434803774 /nfs/dbraw/zinc/80/37/74/1434803774.db2.gz MIVVGRIYUGQLPI-UHFFFAOYSA-N 1 0 387.411 3.046 20 10 GGCDRO COc1cc(O)c(C[NH+]2CCC(NC(=O)Nc3ccccc3)CC2)cc1OC ZINC000271714530 1434845743 /nfs/dbraw/zinc/84/57/43/1434845743.db2.gz HZSSMAVBNCKOMD-UHFFFAOYSA-N 1 0 385.464 3.196 20 10 GGCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)cc1OC ZINC000272156655 1434875391 /nfs/dbraw/zinc/87/53/91/1434875391.db2.gz AJLROQCHKBSXBV-ZIAGYGMSSA-N 1 0 380.485 3.145 20 10 GGCDRO COc1cc(O)c(C[NH2+]CCCOCCOCc2ccccc2)cc1OC ZINC000272483275 1434899583 /nfs/dbraw/zinc/89/95/83/1434899583.db2.gz COAWKNGVRXDXJE-UHFFFAOYSA-N 1 0 375.465 3.123 20 10 GGCDRO COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)/C=C/c2ccc(O)c(O)c2)cc1 ZINC000272575512 1434909741 /nfs/dbraw/zinc/90/97/41/1434909741.db2.gz DJKKTZALJLXRJU-RXERPNITSA-N 1 0 382.460 3.073 20 10 GGCDRO Fc1cc(C[NH2+]C2CCN(CCC(F)(F)F)CC2)ccc1N1CCOCC1 ZINC000272659301 1434920525 /nfs/dbraw/zinc/92/05/25/1434920525.db2.gz HHFPIFNQDHGKNU-UHFFFAOYSA-N 1 0 389.437 3.169 20 10 GGCDRO CC[C@H]1C[C@H](CC(=O)NCc2ccc(N3CC[NH+](CC)CC3)c(F)c2)CCO1 ZINC000272689151 1434922981 /nfs/dbraw/zinc/92/29/81/1434922981.db2.gz CYLPINWTCMRNIG-MJGOQNOKSA-N 1 0 391.531 3.179 20 10 GGCDRO C[C@@H]([NH2+]C[C@](O)(c1nccn1C)C(F)(F)F)c1cc2c(cc1O)CCCC2 ZINC000273453307 1434989870 /nfs/dbraw/zinc/98/98/70/1434989870.db2.gz PFLVJXGBRFJIRU-XIKOKIGWSA-N 1 0 383.414 3.105 20 10 GGCDRO COc1cc(Cl)cc(C[NH2+]Cc2ccnc(OC3CCOCC3)c2)c1O ZINC000273706840 1435006828 /nfs/dbraw/zinc/00/68/28/1435006828.db2.gz FLFIGKLBSBJCNF-UHFFFAOYSA-N 1 0 378.856 3.297 20 10 GGCDRO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@@H]1[NH2+]Cc1ccccc1O ZINC000273889023 1435025449 /nfs/dbraw/zinc/02/54/49/1435025449.db2.gz SWGZLYOJIBCEBZ-FGTMMUONSA-N 1 0 376.497 3.286 20 10 GGCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3ccc(-c4nnc(C)o4)cc3)c2)CC1 ZINC000274441099 1435071144 /nfs/dbraw/zinc/07/11/44/1435071144.db2.gz DSGMYBYYPSHRHG-UHFFFAOYSA-N 1 0 391.475 3.439 20 10 GGCDRO COC(=O)COc1ccc([C@@H](C)[NH2+]Cc2cc(F)cc(C(C)=O)c2O)cc1 ZINC000274516708 1435076106 /nfs/dbraw/zinc/07/61/06/1435076106.db2.gz XWUSTOIACONLKE-GFCCVEGCSA-N 1 0 375.396 3.137 20 10 GGCDRO COc1cc(Cl)cc(C[NH+]2CCC(c3nnc4n3CCCC4)CC2)c1O ZINC000274905136 1435102771 /nfs/dbraw/zinc/10/27/71/1435102771.db2.gz IEKIONGCXUDWRN-UHFFFAOYSA-N 1 0 376.888 3.362 20 10 GGCDRO Cn1ccnc1[C@H]1OCC[C@@H]1[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000275657657 1435157116 /nfs/dbraw/zinc/15/71/16/1435157116.db2.gz USVAEURXPNSTEI-FPOVZHCZSA-N 1 0 379.460 3.325 20 10 GGCDRO C[NH+](C)[C@@H](CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O)c1cccs1 ZINC000277279233 1435288867 /nfs/dbraw/zinc/28/88/67/1435288867.db2.gz ISMVMFLTJMPLTP-AWEZNQCLSA-N 1 0 393.896 3.174 20 10 GGCDRO COc1c(O)c(C[N@H+]2CC=C(c3c[nH]c4ncccc34)CC2)ccc1[N+](=O)[O-] ZINC000278221132 1435370915 /nfs/dbraw/zinc/37/09/15/1435370915.db2.gz LLWZKJFYJSWODG-UHFFFAOYSA-N 1 0 380.404 3.475 20 10 GGCDRO COc1cc(O)c(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)cc1OC ZINC000278226606 1435371401 /nfs/dbraw/zinc/37/14/01/1435371401.db2.gz JWRJSKPHZYINES-DZGCQCFKSA-N 1 0 380.485 3.287 20 10 GGCDRO COc1c(O)c(C[NH+]2CCC(c3noc(C(C)C)n3)CC2)ccc1[N+](=O)[O-] ZINC000278259120 1435374277 /nfs/dbraw/zinc/37/42/77/1435374277.db2.gz QEZMTBYWPAZHKQ-UHFFFAOYSA-N 1 0 376.413 3.195 20 10 GGCDRO Fc1ccc(-n2nccc2C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000279877794 1435556941 /nfs/dbraw/zinc/55/69/41/1435556941.db2.gz KCFCVSSWELPNJU-UHFFFAOYSA-N 1 0 384.430 3.277 20 10 GGCDRO CC[C@H]([NH2+]Cc1ccc(C(=O)N2CCN(C)CC2)cc1)c1ccc(C)cc1O ZINC000279928177 1435564668 /nfs/dbraw/zinc/56/46/68/1435564668.db2.gz AMXGFLHBHDXILD-NRFANRHFSA-N 1 0 381.520 3.329 20 10 GGCDRO COc1cc(O)c(C[NH2+][C@@H](CO)c2ccccc2OC(F)(F)F)cc1OC ZINC000280159135 1435601311 /nfs/dbraw/zinc/60/13/11/1435601311.db2.gz FDYOPKOYASRETJ-ZDUSSCGKSA-N 1 0 387.354 3.131 20 10 GGCDRO CCOc1ccc(O)c(C[NH2+][C@@H](c2ccc(C)cc2)[C@H](C)S(C)(=O)=O)c1 ZINC000280692644 1435704887 /nfs/dbraw/zinc/70/48/87/1435704887.db2.gz OTWZGEGLJISRBS-MGPUTAFESA-N 1 0 377.506 3.363 20 10 GGCDRO CCOc1ccc(O)c(C[NH2+][C@@H](c2ccc(C)cc2)[C@@H](C)S(C)(=O)=O)c1 ZINC000280692640 1435705054 /nfs/dbraw/zinc/70/50/54/1435705054.db2.gz OTWZGEGLJISRBS-FOIQADDNSA-N 1 0 377.506 3.363 20 10 GGCDRO CN(C)c1ccc(C[NH2+]C2CCN(c3cccnn3)CC2)c(C(F)(F)F)c1 ZINC000280705871 1435707254 /nfs/dbraw/zinc/70/72/54/1435707254.db2.gz WRHZMBHIGVBBRU-UHFFFAOYSA-N 1 0 379.430 3.320 20 10 GGCDRO CN(C)c1ccc(CNC2CC[NH+](C[C@H]3CCOC3)CC2)c(C(F)(F)F)c1 ZINC000280996878 1435753371 /nfs/dbraw/zinc/75/33/71/1435753371.db2.gz VPDMHBKWRPTKJY-OAHLLOKOSA-N 1 0 385.474 3.362 20 10 GGCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@H](C)c1ccc(SC)cc1)cc2=O ZINC000281247416 1435800767 /nfs/dbraw/zinc/80/07/67/1435800767.db2.gz DKAKFRPJCLHOAU-GFCCVEGCSA-N 1 0 386.477 3.184 20 10 GGCDRO C[C@H]([NH2+]C[C@@H]1CCn2ncc(C(N)=O)c2C1)c1ccc(N2CCCCCC2)cc1 ZINC000281314063 1435803530 /nfs/dbraw/zinc/80/35/30/1435803530.db2.gz ZHXXZIGHNCAXPD-ZWKOTPCHSA-N 1 0 395.551 3.276 20 10 GGCDRO C[C@H]([NH2+]C1CCN(c2nccs2)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000281637153 1435816561 /nfs/dbraw/zinc/81/65/61/1435816561.db2.gz OTBXVZRDDKQIDC-HNNXBMFYSA-N 1 0 390.528 3.438 20 10 GGCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@@H](C)c1ccccc1SC)cc2=O ZINC000281692718 1435818498 /nfs/dbraw/zinc/81/84/98/1435818498.db2.gz NEAGRESHJHAUDD-LBPRGKRZSA-N 1 0 386.477 3.184 20 10 GGCDRO COc1ccc(N2CC[NH+](CCCNC(=O)[C@H]3CCCC(F)(F)C3)CC2)cc1 ZINC000282391042 1435845583 /nfs/dbraw/zinc/84/55/83/1435845583.db2.gz CIPWJDCUFAIYKS-KRWDZBQOSA-N 1 0 395.494 3.149 20 10 GGCDRO CCCC[N@H+](Cc1ccccc1O)C[C@](C)(O)c1ccc(S(C)(=O)=O)cc1 ZINC000282481784 1435848795 /nfs/dbraw/zinc/84/87/95/1435848795.db2.gz OYZMRYLXZKHLGU-NRFANRHFSA-N 1 0 391.533 3.306 20 10 GGCDRO COc1c([O-])c(C[NH2+][C@@H](CN(C)C)c2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000282817796 1435861427 /nfs/dbraw/zinc/86/14/27/1435861427.db2.gz AMVIGNPHAPVQCV-HNNXBMFYSA-N 1 0 379.844 3.355 20 10 GGCDRO CCCCN(Cc1ccccc1O)C(=O)NCCCC[NH+]1CCN(CC)CC1 ZINC000282933882 1435866749 /nfs/dbraw/zinc/86/67/49/1435866749.db2.gz ZHJQIUFVOLCTLK-UHFFFAOYSA-N 1 0 390.572 3.122 20 10 GGCDRO COc1ccc(N2CC[NH+](C[C@H]3CCN(C(=O)c4ccccc4)C3)CC2)cc1F ZINC000283225644 1435880198 /nfs/dbraw/zinc/88/01/98/1435880198.db2.gz TVUAXLYQDXHWRM-GOSISDBHSA-N 1 0 397.494 3.119 20 10 GGCDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000283553095 1435895094 /nfs/dbraw/zinc/89/50/94/1435895094.db2.gz IGRUFHUSJANIOK-UHFFFAOYSA-N 1 0 397.519 3.264 20 10 GGCDRO CCCCN(Cc1ccccc1O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000283624725 1435898377 /nfs/dbraw/zinc/89/83/77/1435898377.db2.gz MTJJCXARJCDQML-PZJWPPBQSA-N 1 0 389.540 3.082 20 10 GGCDRO CC[C@H]([NH2+][C@@H]1CCC(=O)N(C2CC2)[C@H]1c1ccnn1C)c1ccc(C)cc1O ZINC000284504564 1436026657 /nfs/dbraw/zinc/02/66/57/1436026657.db2.gz AWZUANWORNRUIX-NJNPRVFISA-N 1 0 382.508 3.370 20 10 GGCDRO CC[C@H]([NH2+][C@@H]1CCC(=O)N(C2CC2)[C@H]1c1ccnn1C)c1ccc(N(C)C)cc1 ZINC000284758576 1436047246 /nfs/dbraw/zinc/04/72/46/1436047246.db2.gz GPMXYPXPCIHAMV-MIZPHKNDSA-N 1 0 395.551 3.422 20 10 GGCDRO C[C@@H]([NH2+][C@@H]1CCC(=O)N(C2CC2)[C@H]1c1ccnn1C)c1cc(Cl)ccc1O ZINC000284766378 1436048150 /nfs/dbraw/zinc/04/81/50/1436048150.db2.gz HHJBJDVNCLCGSA-CBLJQSSYSA-N 1 0 388.899 3.324 20 10 GGCDRO CCS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2cc(F)cc(C(C)=O)c2O)cc1 ZINC000284777226 1436048787 /nfs/dbraw/zinc/04/87/87/1436048787.db2.gz NOGZWRNLWNNXMI-LBPRGKRZSA-N 1 0 379.453 3.378 20 10 GGCDRO C[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1)c1ccc(N2CCOCC2)cc1Cl ZINC000820426333 945447219 /nfs/dbraw/zinc/44/72/19/945447219.db2.gz ILEAOOFFLNNDRM-CQSZACIVSA-N 1 0 398.898 3.208 20 10 GGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)c1cccc(-c2nn[nH]n2)c1 ZINC000824616896 946864311 /nfs/dbraw/zinc/86/43/11/946864311.db2.gz ANVRJLQMZRCMII-OAHLLOKOSA-N 1 0 380.521 3.271 20 10 GGCDRO CC[C@@H]([NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)C1(C(=O)[O-])CCC1 ZINC001595299885 980432176 /nfs/dbraw/zinc/43/21/76/980432176.db2.gz INOWSQZWEZPAGG-OAQYLSRUSA-N 1 0 385.552 3.342 20 10 GGCDRO CC[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(C(=O)[O-])cc3F)cc2F)CC1 ZINC001596442453 984136894 /nfs/dbraw/zinc/13/68/94/984136894.db2.gz UXSYHEAFAQBTKZ-UHFFFAOYSA-N 1 0 389.446 3.095 20 10 GGCDRO OC[C@@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1cc(Br)ccc1O ZINC000116350660 1126076358 /nfs/dbraw/zinc/07/63/58/1126076358.db2.gz MEVRKKFCJJVIHS-OAHLLOKOSA-N 1 0 375.266 3.329 20 10 GGCDRO O[C@H]([C@H](Cc1ccccc1)[NH2+]Cc1ccc(N2CCOCC2)cc1)C(F)(F)F ZINC000734844380 1126106778 /nfs/dbraw/zinc/10/67/78/1126106778.db2.gz XFYSLNOTFQQEGX-VQTJNVASSA-N 1 0 394.437 3.147 20 10 GGCDRO COc1cc(O)c(C[NH2+][C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)cc1OC ZINC000776175777 1126109497 /nfs/dbraw/zinc/10/94/97/1126109497.db2.gz RBZMAHJVRNEZRT-KBXCAEBGSA-N 1 0 385.382 3.034 20 10 GGCDRO Cc1cc(O)c(C[NH+]2CCN(CC(=O)Nc3c(C)cccc3C)CC2)cc1C ZINC000032533281 207398026 /nfs/dbraw/zinc/39/80/26/207398026.db2.gz KMMLZTPLRYMKSZ-UHFFFAOYSA-N 1 0 381.520 3.382 20 10 GGCDRO CC[C@H]([NH2+]CCCN1CC[NH+](CC)CC1)c1cc(Br)ccc1O ZINC000155122686 565062151 /nfs/dbraw/zinc/06/21/51/565062151.db2.gz MVWJCJVAKHHUOU-KRWDZBQOSA-N 1 0 384.362 3.223 20 10 GGCDRO Cc1cc(Br)cc(C)c1NC(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000112681358 565065221 /nfs/dbraw/zinc/06/52/21/565065221.db2.gz COJHFQDTWCWJLG-MRXNPFEDSA-N 1 0 398.345 3.424 20 10 GGCDRO CC(C)NS(=O)(=O)Cc1ccc(C[NH2+]Cc2c(O)cccc2Cl)cc1 ZINC000113328186 565069167 /nfs/dbraw/zinc/06/91/67/565069167.db2.gz RXLOLUIXVFVBQI-UHFFFAOYSA-N 1 0 382.913 3.163 20 10 GGCDRO CC(C)(C)NS(=O)(=O)c1ccccc1C[NH2+]Cc1c(O)cccc1Cl ZINC000113328848 565069303 /nfs/dbraw/zinc/06/93/03/565069303.db2.gz SLJQKTGMVFHEFU-UHFFFAOYSA-N 1 0 382.913 3.412 20 10 GGCDRO CC[C@@H]([NH2+]C1CCN(C(=O)CCOC)CC1)c1cc(Br)ccc1O ZINC000156764806 565105490 /nfs/dbraw/zinc/10/54/90/565105490.db2.gz ZUWHWGUSSRJHEM-MRXNPFEDSA-N 1 0 399.329 3.223 20 10 GGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CCN(c3cnn(C)c3)C2)c1O ZINC000372418121 565236658 /nfs/dbraw/zinc/23/66/58/565236658.db2.gz SDIAWYKGWNARIZ-OCCSQVGLSA-N 1 0 379.302 3.126 20 10 GGCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCN(c3cnn(C)c3)C2)c1O ZINC000372418120 565236787 /nfs/dbraw/zinc/23/67/87/565236787.db2.gz SDIAWYKGWNARIZ-JSGCOSHPSA-N 1 0 379.302 3.126 20 10 GGCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCCc3c2cnn3CCO)c1O ZINC000372505470 565242148 /nfs/dbraw/zinc/24/21/48/565242148.db2.gz RCMLGMLVCSSEMD-LRDDRELGSA-N 1 0 394.313 3.380 20 10 GGCDRO OCC1CCN(c2ccc(C[NH2+]Cc3cncc(Br)c3)cc2)CC1 ZINC000186603811 565271171 /nfs/dbraw/zinc/27/11/71/565271171.db2.gz GFKONCHAZAICCI-UHFFFAOYSA-N 1 0 390.325 3.343 20 10 GGCDRO CC[C@@H]([NH2+]CCCCCS(C)(=O)=O)c1cc(Br)ccc1O ZINC000186850114 565290150 /nfs/dbraw/zinc/29/01/50/565290150.db2.gz HOIMDASDRGTWCR-CQSZACIVSA-N 1 0 378.332 3.410 20 10 GGCDRO CN(Cc1cccs1)c1ccc(CN2CC[C@@H](CS(C)(=O)=O)C2)cc1 ZINC000295932044 565294179 /nfs/dbraw/zinc/29/41/79/565294179.db2.gz FSFSHYKXPXXHRE-QGZVFWFLSA-N 1 0 378.563 3.251 20 10 GGCDRO CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000273041874 565305222 /nfs/dbraw/zinc/30/52/22/565305222.db2.gz WHXLQUOJMKHDNW-ZDUSSCGKSA-N 1 0 396.329 3.337 20 10 GGCDRO C[C@@H]([NH2+]C1CCC(CS(C)(=O)=O)CC1)c1cc(Br)ccc1O ZINC000296247938 565308960 /nfs/dbraw/zinc/30/89/60/565308960.db2.gz BBYZPMASOKKDAQ-LKSINWNRSA-N 1 0 390.343 3.409 20 10 GGCDRO CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000374076595 565318705 /nfs/dbraw/zinc/31/87/05/565318705.db2.gz FGRBSQPIYZNVKV-HZPDHXFCSA-N 1 0 396.329 3.313 20 10 GGCDRO CCOC(=O)C1([S@](C)=O)CC[NH+]([C@@H](CC)c2cccc(Cl)c2[O-])CC1 ZINC000296556010 565322980 /nfs/dbraw/zinc/32/29/80/565322980.db2.gz RUVKMEDUXLSHPP-MQNRADLISA-N 1 0 387.929 3.273 20 10 GGCDRO C[C@@H]([NH2+]CC1(N2CCCC2)CCOCC1)c1cc(Br)ccc1O ZINC000273608738 565327597 /nfs/dbraw/zinc/32/75/97/565327597.db2.gz VCSZVRFVMRPCHM-CQSZACIVSA-N 1 0 383.330 3.450 20 10 GGCDRO Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2COC3(CCOCC3)O2)c1O ZINC000187487417 565336392 /nfs/dbraw/zinc/33/63/92/565336392.db2.gz JWNADKASOZIIFC-JSGCOSHPSA-N 1 0 386.286 3.036 20 10 GGCDRO O=S1(=O)CCCN1c1ccc(C[NH2+]Cc2c(O)cccc2Cl)cc1F ZINC000274794184 565381722 /nfs/dbraw/zinc/38/17/22/565381722.db2.gz NBNJZESIUJKDGO-UHFFFAOYSA-N 1 0 384.860 3.014 20 10 GGCDRO Cc1cc(Br)cc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1O ZINC000376651296 565447361 /nfs/dbraw/zinc/44/73/61/565447361.db2.gz KMJMCYAAYTZJMQ-UHFFFAOYSA-N 1 0 395.257 3.405 20 10 GGCDRO CC(C)C[NH+]1CCC(NC(=O)NCc2cccc(Br)c2O)CC1 ZINC000277439501 565496876 /nfs/dbraw/zinc/49/68/76/565496876.db2.gz MMFAVLRXIBZKCN-UHFFFAOYSA-N 1 0 384.318 3.074 20 10 GGCDRO COc1cc(Cl)cc(C[NH2+]Cc2ccc(S(C)(=O)=O)c(Cl)c2)c1O ZINC000277665594 565513542 /nfs/dbraw/zinc/51/35/42/565513542.db2.gz PJEPHNAFNXALTQ-UHFFFAOYSA-N 1 0 390.288 3.401 20 10 GGCDRO COc1c(O)c(C[NH2+][C@H](C)c2ccc(Br)cn2)ccc1[N+](=O)[O-] ZINC000279682013 565627223 /nfs/dbraw/zinc/62/72/23/565627223.db2.gz JCHUNWCVOODWGC-SECBINFHSA-N 1 0 382.214 3.317 20 10 GGCDRO CC[C@@H]([NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1)c1ccc(C)cc1O ZINC000279975649 565644124 /nfs/dbraw/zinc/64/41/24/565644124.db2.gz DGCNXVWDVCLEDK-OAHLLOKOSA-N 1 0 376.469 3.006 20 10 GGCDRO CCS(=O)(=O)c1ccc(C[NH2+]Cc2cc(Cl)cc(OC)c2O)s1 ZINC000280566341 565681700 /nfs/dbraw/zinc/68/17/00/565681700.db2.gz LIZRVFKYWRXBOJ-UHFFFAOYSA-N 1 0 375.899 3.199 20 10 GGCDRO Cc1cc(Br)cc(C[NH2+][C@@]2(CO)CCOc3ccccc32)c1O ZINC000282112871 565764833 /nfs/dbraw/zinc/76/48/33/565764833.db2.gz AHEDBYXPIPVPIX-GOSISDBHSA-N 1 0 378.266 3.223 20 10 GGCDRO O=C1C[C@@H](C[NH2+]Cc2cc(Br)ccc2O)CN1Cc1ccccc1 ZINC000179051183 565955962 /nfs/dbraw/zinc/95/59/62/565955962.db2.gz AXNHPXRZMAKELS-HNNXBMFYSA-N 1 0 389.293 3.293 20 10 GGCDRO C[C@@H]([NH2+][C@@H]1CCCc2c1cnn2CCO)c1ccc(Br)cc1O ZINC000363854004 566023378 /nfs/dbraw/zinc/02/33/78/566023378.db2.gz LMLVRBGYWAMDED-IAQYHMDHSA-N 1 0 380.286 3.072 20 10 GGCDRO Oc1ccc(Br)cc1C[NH2+]Cc1ccncc1OC[C@H]1CCOC1 ZINC000288570935 566080267 /nfs/dbraw/zinc/08/02/67/566080267.db2.gz ZQLVXDFEJWMVSA-ZDUSSCGKSA-N 1 0 393.281 3.255 20 10 GGCDRO Cc1cc(Br)cc(C[N@H+]2CCC[C@H]([C@H](O)c3nccn3C)C2)c1O ZINC000180727622 566084700 /nfs/dbraw/zinc/08/47/00/566084700.db2.gz UQUDHIQXWVNEAW-GUYCJALGSA-N 1 0 394.313 3.142 20 10 GGCDRO Cc1cc(Br)cc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)c1O ZINC000289786767 566140165 /nfs/dbraw/zinc/14/01/65/566140165.db2.gz RVTNLIRZZVBBSI-AAEUAGOBSA-N 1 0 382.220 3.456 20 10 GGCDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@H](c3ccnn3C)C2)c1O ZINC000367467725 566203052 /nfs/dbraw/zinc/20/30/52/566203052.db2.gz UTURDEGLBMUEHL-LBPRGKRZSA-N 1 0 380.286 3.276 20 10 GGCDRO C[NH+](C)CCNC(=O)c1ccc(NCc2cccc(Br)c2O)cc1 ZINC000527764533 567373186 /nfs/dbraw/zinc/37/31/86/567373186.db2.gz QRTQWBFKLKLYMF-UHFFFAOYSA-N 1 0 392.297 3.058 20 10 GGCDRO COc1ccc(N2CCN(C(=O)C[N@@H+]3CCC[C@@H]3c3cccs3)CC2)cc1 ZINC000007620721 571003244 /nfs/dbraw/zinc/00/32/44/571003244.db2.gz YYLVMSDCPCXPEB-LJQANCHMSA-N 1 0 385.533 3.242 20 10 GGCDRO COc1ccc(N2CCN(C(=O)C[N@@H+]3CCC[C@H]3c3cccs3)CC2)cc1 ZINC000007620725 571003280 /nfs/dbraw/zinc/00/32/80/571003280.db2.gz YYLVMSDCPCXPEB-IBGZPJMESA-N 1 0 385.533 3.242 20 10 GGCDRO Cc1cc(O)c(C[NH+]2CCN(c3ccccc3-c3nn[nH]n3)CC2)cc1C(C)C ZINC000737278948 598234451 /nfs/dbraw/zinc/23/44/51/598234451.db2.gz MBIIWERKCAUTII-UHFFFAOYSA-N 1 0 392.507 3.326 20 10 GGCDRO O=C([O-])c1cc2ccccc2c(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1O ZINC000833307745 601055267 /nfs/dbraw/zinc/05/52/67/601055267.db2.gz LQTNTYQVMXFNJM-UHFFFAOYSA-N 1 0 398.503 3.320 20 10 GGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000820411210 607015410 /nfs/dbraw/zinc/01/54/10/607015410.db2.gz HGDUAUDOUUVFOQ-LSDHHAIUSA-N 1 0 396.470 3.254 20 10 GGCDRO Oc1cc2c(cc1C[N@@H+]1CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C1)CCCC2 ZINC000826510633 608547034 /nfs/dbraw/zinc/54/70/34/608547034.db2.gz BROJUAIQMFSNSZ-NRFANRHFSA-N 1 0 391.475 3.025 20 10 GGCDRO CCOc1ccc(C[N@H+]2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)c(O)c1 ZINC000825637952 608856914 /nfs/dbraw/zinc/85/69/14/608856914.db2.gz CLPQRCKQPKHECX-UHFFFAOYSA-N 1 0 377.448 3.260 20 10 GGCDRO C[C@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824618224 609133677 /nfs/dbraw/zinc/13/36/77/609133677.db2.gz NIYPOGPRGLHKMY-AWEZNQCLSA-N 1 0 398.511 3.410 20 10 GGCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)[C@@H](C)c1cccc(Cl)c1)cc2=O ZINC000053233962 1406337115 /nfs/dbraw/zinc/33/71/15/1406337115.db2.gz DFVMYSQDRCJDEC-LBPRGKRZSA-N 1 0 388.855 3.458 20 10 GGCDRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+]Cc2ccc(OC)c(C)c2)cc1 ZINC000053946022 1406563188 /nfs/dbraw/zinc/56/31/88/1406563188.db2.gz ASSJJQUDNXOWPE-UHFFFAOYSA-N 1 0 376.522 3.324 20 10 GGCDRO COc1ccc(N2CC[NH+](CCCNC(=O)N(C)C3CCCCC3)CC2)cc1 ZINC000053999548 1406583884 /nfs/dbraw/zinc/58/38/84/1406583884.db2.gz XJXVIUQLDPIKTI-UHFFFAOYSA-N 1 0 388.556 3.181 20 10 GGCDRO COc1ccc(N2CC[NH+](CCCNC(=O)Nc3ccc(F)cc3)CC2)cc1 ZINC000004791596 1398403167 /nfs/dbraw/zinc/40/31/67/1398403167.db2.gz SXWRKFFJLXKREB-UHFFFAOYSA-N 1 0 386.471 3.168 20 10 GGCDRO Oc1cc2c(cc1C[NH+]1CCN(c3cccc(C(F)(F)F)c3)CC1)OCO2 ZINC000007074845 1398593521 /nfs/dbraw/zinc/59/35/21/1398593521.db2.gz RTYRVBZDHHHVPN-UHFFFAOYSA-N 1 0 380.366 3.462 20 10 GGCDRO COc1ccc(N2CC[NH+](CCCNC(=O)Nc3cccc(OC)c3)CC2)cc1 ZINC000011557382 1398993528 /nfs/dbraw/zinc/99/35/28/1398993528.db2.gz OFSRXXZBCQOVQS-UHFFFAOYSA-N 1 0 398.507 3.038 20 10 GGCDRO CCCC[N@H+](Cc1c(O)ccc2ccc(OC)cc21)[C@H]1CCS(=O)(=O)C1 ZINC000014261945 1399094848 /nfs/dbraw/zinc/09/48/48/1399094848.db2.gz GQDKBVATRJJZSG-INIZCTEOSA-N 1 0 377.506 3.343 20 10 GGCDRO C[C@H](C(=O)N1CCCc2ccccc21)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000016386895 1399236847 /nfs/dbraw/zinc/23/68/47/1399236847.db2.gz IAGNERABNQEHHX-LJQANCHMSA-N 1 0 393.531 3.323 20 10 GGCDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3ccc4c(c3)CCC4)CC2)cc1 ZINC000024088831 1399601549 /nfs/dbraw/zinc/60/15/49/1399601549.db2.gz WNWLSUSBJYWSQO-UHFFFAOYSA-N 1 0 393.531 3.126 20 10 GGCDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)cc1 ZINC000029826806 1400358731 /nfs/dbraw/zinc/35/87/31/1400358731.db2.gz FUXSAOHFDUGRJK-SFHVURJKSA-N 1 0 392.503 3.390 20 10 GGCDRO COc1ccc(OC)c(C(=O)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)c1 ZINC000056479166 1407344250 /nfs/dbraw/zinc/34/42/50/1407344250.db2.gz CCDOOHQGZDASBJ-UHFFFAOYSA-N 1 0 395.503 3.488 20 10 GGCDRO CC1(C)CC(NC(=O)NCc2ccc(N3CCSCC3)cc2)CC(C)(C)[NH2+]1 ZINC000042909015 1403672729 /nfs/dbraw/zinc/67/27/29/1403672729.db2.gz FZFUHJMMCYKVHG-UHFFFAOYSA-N 1 0 390.597 3.348 20 10 GGCDRO COc1ccc(N2CC[NH+](CCCNC(=O)N(CC(C)C)C3CC3)CC2)cc1 ZINC000045126555 1404059258 /nfs/dbraw/zinc/05/92/58/1404059258.db2.gz JPPFZAYFNHCYRZ-UHFFFAOYSA-N 1 0 388.556 3.037 20 10 GGCDRO CN(C)c1ccc(CN(C)C(=O)NCCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000046893190 1404625649 /nfs/dbraw/zinc/62/56/49/1404625649.db2.gz CNWWEHAFYIWRDR-UHFFFAOYSA-N 1 0 380.536 3.342 20 10 GGCDRO CN(C)c1ccc(CNC(=O)C[N@H+](C)C[C@@H]2CCCO[C@@H]2c2ccccc2)cc1 ZINC000051133034 1405728347 /nfs/dbraw/zinc/72/83/47/1405728347.db2.gz XPYAMZRMMVWMEU-XUZZJYLKSA-N 1 0 395.547 3.469 20 10 GGCDRO O=C(C[N@@H+]1CCC[C@H]1c1ccccc1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000051180591 1405738118 /nfs/dbraw/zinc/73/81/18/1405738118.db2.gz ZJCFFILNIUUPCE-NRFANRHFSA-N 1 0 397.494 3.116 20 10 GGCDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000056787865 1407433044 /nfs/dbraw/zinc/43/30/44/1407433044.db2.gz GAVYEDNBZAASCL-ZWKOTPCHSA-N 1 0 390.597 3.159 20 10 GGCDRO Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000056813912 1407441534 /nfs/dbraw/zinc/44/15/34/1407441534.db2.gz DBYCCPYTBQCBFB-UHFFFAOYSA-N 1 0 387.549 3.340 20 10 GGCDRO C[C@@H](CNC(=O)NCc1ccc(N2CCSCC2)cc1)C[NH+]1CCCCC1 ZINC000057039809 1407506417 /nfs/dbraw/zinc/50/64/17/1407506417.db2.gz PEJDMJYNHZGEAG-SFHVURJKSA-N 1 0 390.597 3.161 20 10 GGCDRO COc1ccc(N2CCCN(C(=O)NC[C@H](C)C[NH+]3CCCCC3)CC2)cc1 ZINC000057039177 1407506489 /nfs/dbraw/zinc/50/64/89/1407506489.db2.gz GMEDNEUZVNRXBM-IBGZPJMESA-N 1 0 388.556 3.039 20 10 GGCDRO COc1cccc([C@@H](CNC(=O)NCc2ccc(N(C)C)c(F)c2)[NH+](C)C)c1 ZINC000057647844 1407676599 /nfs/dbraw/zinc/67/65/99/1407676599.db2.gz RKYAJYVHKWPAJI-HXUWFJFHSA-N 1 0 388.487 3.002 20 10 GGCDRO CN(C)c1ccc(CNC(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)cc1F ZINC000057646994 1407677031 /nfs/dbraw/zinc/67/70/31/1407677031.db2.gz JOOCKNXNZFNXSN-IBGZPJMESA-N 1 0 376.451 3.133 20 10 GGCDRO Cc1cc(O)c(C[N@H+](C)CCCOc2cccc(S(C)(=O)=O)c2)cc1C ZINC000057824702 1407729739 /nfs/dbraw/zinc/72/97/39/1407729739.db2.gz VAALUCNURZCDGW-UHFFFAOYSA-N 1 0 377.506 3.313 20 10 GGCDRO CN1CCCc2cc(CNC(=O)NCc3cccc(OCC[NH+](C)C)c3)ccc21 ZINC000058562499 1407844843 /nfs/dbraw/zinc/84/48/43/1407844843.db2.gz CKHFAXQVESTSBF-UHFFFAOYSA-N 1 0 396.535 3.009 20 10 GGCDRO COc1ccc(N2CC[NH+](CCCNc3cc(Cl)nc(C)n3)CC2)cc1 ZINC000060372202 1407964606 /nfs/dbraw/zinc/96/46/06/1407964606.db2.gz XOGCZPDORMIMJR-UHFFFAOYSA-N 1 0 375.904 3.071 20 10 GGCDRO CN(C)c1ccc(CNC(=S)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000063145088 1408307298 /nfs/dbraw/zinc/30/72/98/1408307298.db2.gz KZEWCKWMPLAWRG-UHFFFAOYSA-N 1 0 382.577 3.381 20 10 GGCDRO CCC[NH+]1CCC(N(C)C(=O)NCc2ccc(N3CCSCC3)cc2)CC1 ZINC000066185706 1408788494 /nfs/dbraw/zinc/78/84/94/1408788494.db2.gz AHGPOZUBULGOQE-UHFFFAOYSA-N 1 0 390.597 3.256 20 10 GGCDRO CCCN(Cc1ccccc1O)C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000066699057 1408889047 /nfs/dbraw/zinc/88/90/47/1408889047.db2.gz CFJAUCCJFJGKFC-UHFFFAOYSA-N 1 0 385.508 3.454 20 10 GGCDRO CCCN(Cc1ccccc1O)C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000066699132 1408889172 /nfs/dbraw/zinc/88/91/72/1408889172.db2.gz WPKGPUFDVSHJER-UHFFFAOYSA-N 1 0 385.508 3.454 20 10 GGCDRO CCc1cc(C[NH+]2CCC(N(CC)S(C)(=O)=O)CC2)c(O)c(C(C)(C)C)c1 ZINC000066859459 1408934216 /nfs/dbraw/zinc/93/42/16/1408934216.db2.gz HNZIYIYSRHJWBJ-UHFFFAOYSA-N 1 0 396.597 3.498 20 10 GGCDRO Cc1ccc([C@@H](C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)N2CCCC2)o1 ZINC000066991961 1408973858 /nfs/dbraw/zinc/97/38/58/1408973858.db2.gz WYNOYMCEOFUHCG-OAQYLSRUSA-N 1 0 387.499 3.490 20 10 GGCDRO COc1ccc(N2CCC([NH2+]Cc3ccccc3N3CCOCC3)CC2)cc1 ZINC000066992352 1408974129 /nfs/dbraw/zinc/97/41/29/1408974129.db2.gz KELBYEUDEUJSRK-UHFFFAOYSA-N 1 0 381.520 3.290 20 10 GGCDRO C[C@H](CNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)[NH+]1CCC(C)CC1 ZINC000067707924 1409211643 /nfs/dbraw/zinc/21/16/43/1409211643.db2.gz BFVGFBFYEIHMKS-QUCCMNQESA-N 1 0 389.540 3.203 20 10 GGCDRO C[C@@H]1CN(C(=O)c2ccc(C[NH2+]Cc3ccc(N(C)C)cc3)cc2)C[C@@H](C)O1 ZINC000067979321 1409269086 /nfs/dbraw/zinc/26/90/86/1409269086.db2.gz AQOADROZZHLZFY-QZTJIDSGSA-N 1 0 381.520 3.292 20 10 GGCDRO C[C@@H]1CN(C(=O)c2ccc(C[NH2+]Cc3ccc(N(C)C)cc3)cc2)C[C@H](C)O1 ZINC000067979315 1409269347 /nfs/dbraw/zinc/26/93/47/1409269347.db2.gz AQOADROZZHLZFY-HDICACEKSA-N 1 0 381.520 3.292 20 10 GGCDRO C[C@@H](NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)c1ccc(N2CCOCC2)cc1 ZINC000068479573 1409412723 /nfs/dbraw/zinc/41/27/23/1409412723.db2.gz VXHRPKFHRWYDAC-MRXNPFEDSA-N 1 0 388.556 3.193 20 10 GGCDRO C[C@@H](NC(=O)NCCC[NH2+]C1CCCCC1)c1ccc(N2CCOCC2)cc1 ZINC000068549029 1409435289 /nfs/dbraw/zinc/43/52/89/1409435289.db2.gz NKNLVYCVMXCSDP-GOSISDBHSA-N 1 0 388.556 3.196 20 10 GGCDRO Cc1cc(C(=O)NC2CC[NH+](CCOC(C)C)CC2)c(C)n1-c1ccccn1 ZINC000176688084 1428407790 /nfs/dbraw/zinc/40/77/90/1428407790.db2.gz URUNFFAQZKYIDS-UHFFFAOYSA-N 1 0 384.524 3.108 20 10 GGCDRO CCC[N@H+](CC(=O)NCCc1cnn(-c2ccccc2)c1)Cc1ccccc1O ZINC000068973671 1409536022 /nfs/dbraw/zinc/53/60/22/1409536022.db2.gz SMGHJDRIIOJYGW-UHFFFAOYSA-N 1 0 392.503 3.149 20 10 GGCDRO CCC[N@H+](CCCOc1ccc(S(C)(=O)=O)cc1)Cc1ccccc1O ZINC000068973572 1409536042 /nfs/dbraw/zinc/53/60/42/1409536042.db2.gz WOGLIAIFXXKHKO-UHFFFAOYSA-N 1 0 377.506 3.477 20 10 GGCDRO COc1cccc(CC(=O)N2CC[NH+](Cc3c(O)ccc4ccccc43)CC2)c1 ZINC000068986412 1409538090 /nfs/dbraw/zinc/53/80/90/1409538090.db2.gz WOVGCIQVCKXQMK-UHFFFAOYSA-N 1 0 390.483 3.441 20 10 GGCDRO CC[NH+]1CCN(c2ccc(NC(=O)NCc3cccc(OC)c3O)c(C)c2)CC1 ZINC000069216642 1409588794 /nfs/dbraw/zinc/58/87/94/1409588794.db2.gz SHQDJMPBGYTICC-UHFFFAOYSA-N 1 0 398.507 3.173 20 10 GGCDRO CC(C)[C@@H](C)[N@@H+]1Cc2cccc(NC(=O)C(=O)NCc3ccccc3O)c2C1 ZINC000069935201 1409728813 /nfs/dbraw/zinc/72/88/13/1409728813.db2.gz WYUQRJJYECRFPQ-OAHLLOKOSA-N 1 0 381.476 3.007 20 10 GGCDRO O=C1c2ccccc2C(=O)N1CC[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000070975740 1409809090 /nfs/dbraw/zinc/80/90/90/1409809090.db2.gz KNUFSVOKGJHHRB-UHFFFAOYSA-N 1 0 376.412 3.284 20 10 GGCDRO COc1ccccc1CN(C)C(=O)C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000070976443 1409809512 /nfs/dbraw/zinc/80/95/12/1409809512.db2.gz KCENYSAXNGHSPZ-HXUWFJFHSA-N 1 0 398.503 3.040 20 10 GGCDRO CN(Cc1ccccc1F)C(=O)C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000070976548 1409809701 /nfs/dbraw/zinc/80/97/01/1409809701.db2.gz BIIPUCNTIIUPJX-IBGZPJMESA-N 1 0 386.467 3.171 20 10 GGCDRO CC(=O)c1cc(F)cc(C[NH+]2CCC(C(=O)N3CCC(C)CC3)CC2)c1O ZINC000079435802 1409975505 /nfs/dbraw/zinc/97/55/05/1409975505.db2.gz NXWVVLLUNWDXRR-UHFFFAOYSA-N 1 0 376.472 3.204 20 10 GGCDRO COc1cccc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)c1O ZINC000091856843 1410086270 /nfs/dbraw/zinc/08/62/70/1410086270.db2.gz BWPCJEWIRMUMCR-CQSZACIVSA-N 1 0 375.856 3.300 20 10 GGCDRO COc1cccc(C[NH+]2CCN(Cc3csc(C(C)(C)C)n3)CC2)c1O ZINC000091949812 1410095199 /nfs/dbraw/zinc/09/51/99/1410095199.db2.gz VVCXADBVKQQORF-UHFFFAOYSA-N 1 0 375.538 3.473 20 10 GGCDRO COc1cccc(C[N@H+](C)C[C@H](O)COc2ccccc2C(F)(F)F)c1O ZINC000092195796 1410120031 /nfs/dbraw/zinc/12/00/31/1410120031.db2.gz UCBPJUVRXVDDJX-AWEZNQCLSA-N 1 0 385.382 3.291 20 10 GGCDRO COC(=O)[C@@H](C)Oc1ccc(C[N@@H+]2CCCN(c3ccc(OC)cc3)CC2)cc1 ZINC000092380848 1410148142 /nfs/dbraw/zinc/14/81/42/1410148142.db2.gz GVLYHKDPCOOOIT-GOSISDBHSA-N 1 0 398.503 3.348 20 10 GGCDRO COCOc1ccc(OC)cc1C[N@@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000092380803 1410148411 /nfs/dbraw/zinc/14/84/11/1410148411.db2.gz XPHHZGWOLUSWAB-UHFFFAOYSA-N 1 0 386.492 3.399 20 10 GGCDRO COc1ccc(N2CCC[N@H+](Cc3cn(C)nc3-c3cccnc3)CC2)cc1 ZINC000092380690 1410148459 /nfs/dbraw/zinc/14/84/59/1410148459.db2.gz VIAMVKIGWQHYSB-UHFFFAOYSA-N 1 0 377.492 3.203 20 10 GGCDRO COc1ccc(N2CCC[N@H+](Cc3ccc(N4CCOCC4)c(F)c3)CC2)cc1 ZINC000092380722 1410148554 /nfs/dbraw/zinc/14/85/54/1410148554.db2.gz NSERUEZBVNOIFX-UHFFFAOYSA-N 1 0 399.510 3.383 20 10 GGCDRO C[N@@H+](Cc1cc(Br)ccc1O)C[C@H](O)COCc1ccccc1 ZINC000092472054 1410159787 /nfs/dbraw/zinc/15/97/87/1410159787.db2.gz IUCJOJSJAUNHGW-KRWDZBQOSA-N 1 0 380.282 3.164 20 10 GGCDRO COc1cc(Br)cc(C[N@@H+]2CCCN(c3nccs3)CC2)c1O ZINC000092482386 1410160825 /nfs/dbraw/zinc/16/08/25/1410160825.db2.gz JDEZGNYCKBAVNG-UHFFFAOYSA-N 1 0 398.326 3.332 20 10 GGCDRO CCOc1cccc(C[NH+]2CCC(NC(=O)NC3CCCCC3)CC2)c1O ZINC000092481139 1410161348 /nfs/dbraw/zinc/16/13/48/1410161348.db2.gz GBSUXJAATLQHRU-UHFFFAOYSA-N 1 0 375.513 3.387 20 10 GGCDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(Cc2cc(Br)ccc2O)CC1 ZINC000092664333 1410183567 /nfs/dbraw/zinc/18/35/67/1410183567.db2.gz OAYMHXUMRXBVNQ-HZPDHXFCSA-N 1 0 396.373 3.145 20 10 GGCDRO COc1ccc(CCC(=O)N2CCC[N@H+](Cc3cccc(OC)c3O)CC2)cc1 ZINC000092709938 1410192849 /nfs/dbraw/zinc/19/28/49/1410192849.db2.gz CFDYHLPMAALSDH-UHFFFAOYSA-N 1 0 398.503 3.077 20 10 GGCDRO Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+](Cc3cc(C)ccc3O)C2)cc1 ZINC000092964409 1410212578 /nfs/dbraw/zinc/21/25/78/1410212578.db2.gz RPCUYSISPZFLII-GOSISDBHSA-N 1 0 388.533 3.200 20 10 GGCDRO COc1ccc([C@H](CO)[N@H+](C)Cc2cc(Br)cc(OC)c2O)cc1 ZINC000093415339 1410244436 /nfs/dbraw/zinc/24/44/36/1410244436.db2.gz WJSOFFNMWUZGKJ-INIZCTEOSA-N 1 0 396.281 3.337 20 10 GGCDRO Oc1ccccc1C[N@H+](C[C@H](O)COCc1ccccc1F)C[C@@H]1CCCO1 ZINC000098072155 1410406654 /nfs/dbraw/zinc/40/66/54/1410406654.db2.gz XZWZGGPSEUQMLF-PMACEKPBSA-N 1 0 389.467 3.090 20 10 GGCDRO Cc1cc(C(=O)N2CC[NH+](C3CCOCC3)CC2)c(C)n1-c1ccc(F)cc1 ZINC000176823106 1428485917 /nfs/dbraw/zinc/48/59/17/1428485917.db2.gz HXKCMDXQLUPDFE-UHFFFAOYSA-N 1 0 385.483 3.170 20 10 GGCDRO Cc1cc(C(=O)N2CC[NH+](C3CCOCC3)CC2)c(C)n1-c1ccccc1C ZINC000176827893 1428489060 /nfs/dbraw/zinc/48/90/60/1428489060.db2.gz VOAPERRDDGSPKP-UHFFFAOYSA-N 1 0 381.520 3.339 20 10 GGCDRO COc1ccc(N2CCC([NH2+][C@H](C(=O)NC3CC3)c3ccccc3)CC2)cc1 ZINC000102416425 1410624294 /nfs/dbraw/zinc/62/42/94/1410624294.db2.gz URRQNNZNSNEEIN-QFIPXVFZSA-N 1 0 379.504 3.274 20 10 GGCDRO CC(C)[N@H+](CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C1CCCCC1 ZINC000102768620 1410739528 /nfs/dbraw/zinc/73/95/28/1410739528.db2.gz ADZRBJYMCURWLZ-UHFFFAOYSA-N 1 0 391.531 3.322 20 10 GGCDRO CN(C)c1ccc(CNC(=O)NCc2ccc(OCCC[NH+](C)C)cc2)cc1 ZINC000103175929 1410834811 /nfs/dbraw/zinc/83/48/11/1410834811.db2.gz ATIVVVASOIQQTG-UHFFFAOYSA-N 1 0 384.524 3.083 20 10 GGCDRO CN(C)c1ccc(CNC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)cc1F ZINC000103184966 1410835095 /nfs/dbraw/zinc/83/50/95/1410835095.db2.gz OVGXMRXXOMWXRA-HXUWFJFHSA-N 1 0 398.526 3.256 20 10 GGCDRO COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000103512846 1410865450 /nfs/dbraw/zinc/86/54/50/1410865450.db2.gz XRJVYADLSRCYLJ-SJLPKXTDSA-N 1 0 383.492 3.426 20 10 GGCDRO COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000103512843 1410865506 /nfs/dbraw/zinc/86/55/06/1410865506.db2.gz XRJVYADLSRCYLJ-FUHWJXTLSA-N 1 0 383.492 3.426 20 10 GGCDRO COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000103516939 1410865646 /nfs/dbraw/zinc/86/56/46/1410865646.db2.gz XAYWBBNEUHGUGS-MJGOQNOKSA-N 1 0 397.519 3.326 20 10 GGCDRO COc1ccc(O)c([C@@H](C)NC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000103516942 1410865766 /nfs/dbraw/zinc/86/57/66/1410865766.db2.gz XAYWBBNEUHGUGS-IEBWSBKVSA-N 1 0 397.519 3.326 20 10 GGCDRO COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)c1 ZINC000103608152 1410868577 /nfs/dbraw/zinc/86/85/77/1410868577.db2.gz XQCCDEVGFSDPAC-ACJLOTCBSA-N 1 0 375.444 3.203 20 10 GGCDRO CC[NH+](CC)[C@@H](CNC(=O)N[C@H](C)c1cc(OC)ccc1O)c1ccco1 ZINC000103611757 1410868904 /nfs/dbraw/zinc/86/89/04/1410868904.db2.gz GWNBAIXCXXHXAQ-PBHICJAKSA-N 1 0 375.469 3.437 20 10 GGCDRO COc1ccnc(N2CC[NH+](Cc3c(O)ccc4ccc(OC)cc43)CC2)c1 ZINC000104654717 1410921391 /nfs/dbraw/zinc/92/13/91/1410921391.db2.gz UZXXYGUMQAZRTM-UHFFFAOYSA-N 1 0 379.460 3.280 20 10 GGCDRO CCC[N@H+](CC(=O)N1CCN(c2ccc(OC)cc2)CC1)Cc1ccccc1 ZINC000104765243 1410956912 /nfs/dbraw/zinc/95/69/12/1410956912.db2.gz JDEVJGZPQOSUPT-UHFFFAOYSA-N 1 0 381.520 3.256 20 10 GGCDRO CC[NH+](CC)[C@H](C(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccccc1 ZINC000104855331 1410980333 /nfs/dbraw/zinc/98/03/33/1410980333.db2.gz IRDZYMQSJUBYKW-QFIPXVFZSA-N 1 0 399.510 3.362 20 10 GGCDRO COc1ccc(N2CCCN(C(=O)NC[C@H]3CCC[N@@H+](C(C)C)C3)CC2)cc1 ZINC000105272723 1411048788 /nfs/dbraw/zinc/04/87/88/1411048788.db2.gz ZOROKQMFJDRRBZ-LJQANCHMSA-N 1 0 388.556 3.037 20 10 GGCDRO COc1ccc([C@@H](C)[N@H+](C)CC(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000105731121 1411115237 /nfs/dbraw/zinc/11/52/37/1411115237.db2.gz ATYOQKOUJUSGMK-GOSISDBHSA-N 1 0 397.519 3.045 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NCc3ccccc3F)cc2F)CC1 ZINC000106506642 1411226576 /nfs/dbraw/zinc/22/65/76/1411226576.db2.gz KPKVBSUAHJXCMZ-UHFFFAOYSA-N 1 0 388.462 3.106 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)Nc3cccc(C(C)=O)c3)cc2F)CC1 ZINC000106506623 1411226809 /nfs/dbraw/zinc/22/68/09/1411226809.db2.gz FUYSJNOVHSILPR-UHFFFAOYSA-N 1 0 398.482 3.492 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)Nc3ccccc3N(C)C)cc2F)CC1 ZINC000106584895 1411258655 /nfs/dbraw/zinc/25/86/55/1411258655.db2.gz CNUKZABREOIBIN-UHFFFAOYSA-N 1 0 399.514 3.355 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)CCc3ccc(OC)cc3)cc2F)CC1 ZINC000106701998 1411280134 /nfs/dbraw/zinc/28/01/34/1411280134.db2.gz FLSOGCXYWOVQSA-UHFFFAOYSA-N 1 0 399.510 3.225 20 10 GGCDRO COc1ccc(N(C)CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)cc1F ZINC000177068133 1428575788 /nfs/dbraw/zinc/57/57/88/1428575788.db2.gz GVZWNQRFRJBOMP-UHFFFAOYSA-N 1 0 399.510 3.360 20 10 GGCDRO CC1CCN(c2ccc(CNC(=O)N3CCN(c4cc[nH+]cc4)CC3)cc2)CC1 ZINC000108443837 1411502023 /nfs/dbraw/zinc/50/20/23/1411502023.db2.gz ZTXBYTLJIOLJNC-UHFFFAOYSA-N 1 0 393.535 3.350 20 10 GGCDRO C[NH+](C)[C@H](CNC(=O)/C=C/c1ccc(N2CCOCC2)cc1)c1cccs1 ZINC000108765662 1411604139 /nfs/dbraw/zinc/60/41/39/1411604139.db2.gz ATJGLZHVSBXKNN-QPGLYAHGSA-N 1 0 385.533 3.017 20 10 GGCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@H](c1ccccc1)C(C)(C)C)cc2=O ZINC000108855233 1411627328 /nfs/dbraw/zinc/62/73/28/1411627328.db2.gz AHZRPRQMFAOXGH-GOSISDBHSA-N 1 0 382.464 3.489 20 10 GGCDRO COc1ccc(N2CC[NH+](CCCNC(=O)[C@H](C)c3ccccc3F)CC2)cc1 ZINC000108986979 1411655251 /nfs/dbraw/zinc/65/52/51/1411655251.db2.gz CNJSGVMIXGFYJZ-GOSISDBHSA-N 1 0 399.510 3.266 20 10 GGCDRO CCS(=O)(=O)N(C)C1CC[NH+](Cc2cc(C)cc(C(C)(C)C)c2O)CC1 ZINC000109001152 1411657942 /nfs/dbraw/zinc/65/79/42/1411657942.db2.gz CWKLLYMSHARLCI-UHFFFAOYSA-N 1 0 382.570 3.244 20 10 GGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)C(=O)N(C)Cc1cccc(F)c1 ZINC000109347506 1411745991 /nfs/dbraw/zinc/74/59/91/1411745991.db2.gz BFDGADZNQKJHAZ-ZWKOTPCHSA-N 1 0 399.510 3.360 20 10 GGCDRO O=C(C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1)N1CCc2sccc2C1 ZINC000109762037 1411808395 /nfs/dbraw/zinc/80/83/95/1411808395.db2.gz KCWYWJZCPPBHNQ-GOSISDBHSA-N 1 0 386.517 3.020 20 10 GGCDRO C[C@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+](C)Cc1ccccc1O ZINC000109770102 1411809058 /nfs/dbraw/zinc/80/90/58/1411809058.db2.gz VONJOWYTNLFRCH-XSXQVXRUSA-N 1 0 385.508 3.007 20 10 GGCDRO COc1ccc(OC)c([C@@H]2CCCN2C(=O)C[N@H+](C)Cc2ccccc2O)c1 ZINC000109773492 1411809336 /nfs/dbraw/zinc/80/93/36/1411809336.db2.gz HYTKKHGHBKVSFB-IBGZPJMESA-N 1 0 384.476 3.205 20 10 GGCDRO COc1ccc([C@@H]2CCCN2C(=O)C[N@H+](C)Cc2ccccc2O)c(OC)c1 ZINC000109772005 1411809508 /nfs/dbraw/zinc/80/95/08/1411809508.db2.gz PMMPZLVJEHPXPV-IBGZPJMESA-N 1 0 384.476 3.205 20 10 GGCDRO Oc1ccc(Br)cc1C[NH2+]CC1(N2CCOCC2)CCCCC1 ZINC000110245044 1411840068 /nfs/dbraw/zinc/84/00/68/1411840068.db2.gz KGMQXDHQZIYEGR-UHFFFAOYSA-N 1 0 383.330 3.279 20 10 GGCDRO CN(C)c1ccc(CNC(=O)C[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)cc1 ZINC000111233821 1411896995 /nfs/dbraw/zinc/89/69/95/1411896995.db2.gz MZBFOFKZFVCGSR-UHFFFAOYSA-N 1 0 391.519 3.125 20 10 GGCDRO Oc1cc2c(cc1C[NH2+][C@H]1CCN(c3ccccc3Br)C1)OCO2 ZINC000111408282 1411946616 /nfs/dbraw/zinc/94/66/16/1411946616.db2.gz IRUPYLRWOHNGKP-ZDUSSCGKSA-N 1 0 391.265 3.252 20 10 GGCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+]C(C)(C)CCc1ccccc1)cc2=O ZINC000177185326 1428620272 /nfs/dbraw/zinc/62/02/72/1428620272.db2.gz SACWBXZXLLJJON-UHFFFAOYSA-N 1 0 382.464 3.113 20 10 GGCDRO C[C@@H]([NH2+][C@H]1CCN(c2ccccc2F)C1=O)c1ccc(N2CCOCC2)cc1 ZINC000112367001 1412135847 /nfs/dbraw/zinc/13/58/47/1412135847.db2.gz BDSNPOQOMXOQHX-UZLBHIALSA-N 1 0 383.467 3.118 20 10 GGCDRO C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1=O)c1ccc(N2CCOCC2)cc1 ZINC000112366999 1412136162 /nfs/dbraw/zinc/13/61/62/1412136162.db2.gz BDSNPOQOMXOQHX-OXQOHEQNSA-N 1 0 383.467 3.118 20 10 GGCDRO CCCC[N@H+](C)CCNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000112451061 1412148440 /nfs/dbraw/zinc/14/84/40/1412148440.db2.gz ZTNIRNJFCQKWHZ-UHFFFAOYSA-N 1 0 398.498 3.288 20 10 GGCDRO Cc1ccc(CN(C(=O)C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)C2CC2)o1 ZINC000112599340 1412177459 /nfs/dbraw/zinc/17/74/59/1412177459.db2.gz WTXXGDCITCKJCL-HXUWFJFHSA-N 1 0 398.503 3.466 20 10 GGCDRO Cc1ccc(C)n1-c1ccc(C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)cc1 ZINC000112921629 1412241558 /nfs/dbraw/zinc/24/15/58/1412241558.db2.gz UVKKUBMNHPDGLS-UHFFFAOYSA-N 1 0 382.552 3.192 20 10 GGCDRO COc1ccc([C@@H](C[NH2+]Cc2c(O)cccc2Cl)N2CCOCC2)cc1 ZINC000113313189 1412291429 /nfs/dbraw/zinc/29/14/29/1412291429.db2.gz ANXDFZGPQIZSLG-LJQANCHMSA-N 1 0 376.884 3.217 20 10 GGCDRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+]Cc2ccc(N(C)C)c(F)c2)cc1 ZINC000113314747 1412291553 /nfs/dbraw/zinc/29/15/53/1412291553.db2.gz XRCIVPFEMNNHKU-UHFFFAOYSA-N 1 0 393.528 3.212 20 10 GGCDRO Cc1ccc(S(=O)(=O)N2CCC([NH2+]Cc3c(O)cccc3Cl)CC2)cc1 ZINC000113319203 1412292290 /nfs/dbraw/zinc/29/22/90/1412292290.db2.gz JPDVYGRBXBABHJ-UHFFFAOYSA-N 1 0 394.924 3.297 20 10 GGCDRO Cc1ccc(O)c(C[NH2+]Cc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)c1 ZINC000113324178 1412292828 /nfs/dbraw/zinc/29/28/28/1412292828.db2.gz FFPUIQDMUFCMFP-KRWDZBQOSA-N 1 0 388.533 3.411 20 10 GGCDRO COc1ccccc1CC(=O)N1CCC([NH2+]Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000113331586 1412294170 /nfs/dbraw/zinc/29/41/70/1412294170.db2.gz CZHKYLUHRWCNIK-UHFFFAOYSA-N 1 0 399.510 3.224 20 10 GGCDRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+]Cc2cc(C)ccc2O)s1 ZINC000113335341 1412294255 /nfs/dbraw/zinc/29/42/55/1412294255.db2.gz PBZDNMKHJQPMTJ-UHFFFAOYSA-N 1 0 382.551 3.125 20 10 GGCDRO CCOc1ccc(O)c(C[NH2+]CCNC(=O)c2cccc(Br)c2)c1 ZINC000113354406 1412297188 /nfs/dbraw/zinc/29/71/88/1412297188.db2.gz JDHIRWMYVMHDMW-UHFFFAOYSA-N 1 0 393.281 3.073 20 10 GGCDRO Cc1nn(C)c2ncc(C[NH2+][C@@H]3CCCN(Cc4cc(Cl)ccc4O)C3)cc12 ZINC000113359133 1412297872 /nfs/dbraw/zinc/29/78/72/1412297872.db2.gz CNAFCZQHFMLCHB-GOSISDBHSA-N 1 0 399.926 3.390 20 10 GGCDRO Oc1ccc(Cl)cc1CN1CCC[C@H]([NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000113359283 1412298233 /nfs/dbraw/zinc/29/82/33/1412298233.db2.gz SLHIPRIMYZRMII-INIZCTEOSA-N 1 0 390.867 3.234 20 10 GGCDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000113404597 1412303394 /nfs/dbraw/zinc/30/33/94/1412303394.db2.gz MERADHDUDUBVDC-LJQANCHMSA-N 1 0 388.556 3.228 20 10 GGCDRO O=C1[C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)CCN1c1ccc(C(F)(F)F)cc1 ZINC000113960656 1412359634 /nfs/dbraw/zinc/35/96/34/1412359634.db2.gz VHKAYOJEFWYGJB-AWEZNQCLSA-N 1 0 394.349 3.035 20 10 GGCDRO CC(C)[NH+]1CCC(NC(=O)CN2CCCc3cc(OC(F)F)ccc32)CC1 ZINC000114455630 1412436886 /nfs/dbraw/zinc/43/68/86/1412436886.db2.gz BGYPAHJAMIDFPQ-UHFFFAOYSA-N 1 0 381.467 3.030 20 10 GGCDRO COc1ccc(O)c(CNC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000114586399 1412467928 /nfs/dbraw/zinc/46/79/28/1412467928.db2.gz DEBGFHOEHOICMB-UHFFFAOYSA-N 1 0 383.492 3.173 20 10 GGCDRO CC[C@H](CNC(=O)NCc1cc(OC)ccc1O)[N@@H+]1CCc2ccccc2C1 ZINC000114587297 1412468034 /nfs/dbraw/zinc/46/80/34/1412468034.db2.gz DXBDTUZUMHRACF-LJQANCHMSA-N 1 0 383.492 3.037 20 10 GGCDRO CC[C@@H](CNC(=O)NCc1cc(OC)ccc1O)[N@@H+]1CCc2ccccc2C1 ZINC000114587295 1412468146 /nfs/dbraw/zinc/46/81/46/1412468146.db2.gz DXBDTUZUMHRACF-IBGZPJMESA-N 1 0 383.492 3.037 20 10 GGCDRO COc1ccc(O)c(CNC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000114593020 1412470324 /nfs/dbraw/zinc/47/03/24/1412470324.db2.gz IIVUFCNGRJRMJQ-HNNXBMFYSA-N 1 0 389.521 3.174 20 10 GGCDRO C[C@@H]([NH2+][C@@H](C)C(=O)NCc1ccccc1F)c1ccc(N2CCOCC2)cc1 ZINC000114750571 1412518537 /nfs/dbraw/zinc/51/85/37/1412518537.db2.gz ZANDFWFGNIAIBP-SJORKVTESA-N 1 0 385.483 3.018 20 10 GGCDRO Cc1cc(N(C)C)ccc1CNC(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000115675500 1412758683 /nfs/dbraw/zinc/75/86/83/1412758683.db2.gz QGKHYLRTWOERRC-UHFFFAOYSA-N 1 0 398.551 3.391 20 10 GGCDRO Cc1cc(N(C)C)ccc1CNC(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC000115855083 1412802779 /nfs/dbraw/zinc/80/27/79/1412802779.db2.gz ZJQYERVVKYQNFL-UHFFFAOYSA-N 1 0 386.515 3.474 20 10 GGCDRO C[C@H](NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)c1ccc(N2CCOCC2)cc1 ZINC000116424752 1412858317 /nfs/dbraw/zinc/85/83/17/1412858317.db2.gz GEPDJBAOAVQCOT-FXAWDEMLSA-N 1 0 390.572 3.250 20 10 GGCDRO COc1ccc(N2CCC([NH2+]C[C@@H](c3ccc(C)o3)N3CCOCC3)CC2)cc1 ZINC000118950157 1413270304 /nfs/dbraw/zinc/27/03/04/1413270304.db2.gz WAJSAHHOLNQZRE-QFIPXVFZSA-N 1 0 399.535 3.229 20 10 GGCDRO CCN(CC)c1ccc(C[N@H+](C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)cc1 ZINC000119495443 1413465980 /nfs/dbraw/zinc/46/59/80/1413465980.db2.gz MCRVTOOPQYBRTC-INIZCTEOSA-N 1 0 375.538 3.373 20 10 GGCDRO COc1ccc(N2CCC([NH2+]CC(C)(C)N3C[C@@H](C)O[C@H](C)C3)CC2)cc1 ZINC000119507848 1413469946 /nfs/dbraw/zinc/46/99/46/1413469946.db2.gz ACOIMVIHEUGXGY-QZTJIDSGSA-N 1 0 375.557 3.141 20 10 GGCDRO COc1ccc(N2CC[NH+](CCCNC(=O)[C@@H](C)c3ccccc3)CC2)cc1 ZINC000119527142 1413475944 /nfs/dbraw/zinc/47/59/44/1413475944.db2.gz DNZYWQCKMVNKIU-IBGZPJMESA-N 1 0 381.520 3.127 20 10 GGCDRO COc1ccc(N2CC[NH+](CCCNC(=O)[C@H](C)c3ccccc3)CC2)cc1 ZINC000119527272 1413476125 /nfs/dbraw/zinc/47/61/25/1413476125.db2.gz DNZYWQCKMVNKIU-LJQANCHMSA-N 1 0 381.520 3.127 20 10 GGCDRO COc1ccc(CNC(=O)C[NH2+][C@H](C)c2ccc(Br)cc2O)cc1 ZINC000120027024 1413658728 /nfs/dbraw/zinc/65/87/28/1413658728.db2.gz NDWIUYWBZGKSFY-GFCCVEGCSA-N 1 0 393.281 3.130 20 10 GGCDRO CC(C)[C@H](C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl)N1CCOCC1 ZINC000120055724 1413669767 /nfs/dbraw/zinc/66/97/67/1413669767.db2.gz TVKXTDDDAMPZKJ-UTKZUKDTSA-N 1 0 395.975 3.184 20 10 GGCDRO CC(C)[C@@H](C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl)N1CCOCC1 ZINC000120055257 1413669819 /nfs/dbraw/zinc/66/98/19/1413669819.db2.gz TVKXTDDDAMPZKJ-LAUBAEHRSA-N 1 0 395.975 3.184 20 10 GGCDRO CC(C)(COc1ncccc1C(F)(F)F)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000120405009 1413810879 /nfs/dbraw/zinc/81/08/79/1413810879.db2.gz LPBBQKKERWPISR-UHFFFAOYSA-N 1 0 384.354 3.482 20 10 GGCDRO C[NH+](C)Cc1cccc(CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1 ZINC000120441481 1413818691 /nfs/dbraw/zinc/81/86/91/1413818691.db2.gz OGMDDSRFMHBGQF-OAQYLSRUSA-N 1 0 397.519 3.345 20 10 GGCDRO COc1ccc(N2CCC([NH2+]C[C@@H](c3ccccc3)N3CCOCC3)CC2)cc1 ZINC000120637853 1413862269 /nfs/dbraw/zinc/86/22/69/1413862269.db2.gz NLPXOKLXELJAKZ-DEOSSOPVSA-N 1 0 395.547 3.327 20 10 GGCDRO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000120903030 1413942792 /nfs/dbraw/zinc/94/27/92/1413942792.db2.gz LHUOCGULPOZSBV-APWZRJJASA-N 1 0 391.531 3.083 20 10 GGCDRO C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000120903206 1413942822 /nfs/dbraw/zinc/94/28/22/1413942822.db2.gz LHUOCGULPOZSBV-LPHOPBHVSA-N 1 0 391.531 3.083 20 10 GGCDRO C[C@H](NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)C(C)(C)C[NH+](C)C ZINC000121188299 1414038458 /nfs/dbraw/zinc/03/84/58/1414038458.db2.gz WUDCSMMRTSHSIQ-WMZOPIPTSA-N 1 0 377.529 3.059 20 10 GGCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCCCC[C@@H]1c1ccco1)cc2=O ZINC000121263117 1414063730 /nfs/dbraw/zinc/06/37/30/1414063730.db2.gz ZVAQVVJHCUBAPJ-MRXNPFEDSA-N 1 0 384.436 3.322 20 10 GGCDRO COC(=O)[C@@H](C)Oc1ccc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000121323920 1414082956 /nfs/dbraw/zinc/08/29/56/1414082956.db2.gz RZMJYICHIKTBTM-GOSISDBHSA-N 1 0 398.503 3.096 20 10 GGCDRO O=C(NCc1ccc(N2CCOCC2)cc1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000121454312 1414130660 /nfs/dbraw/zinc/13/06/60/1414130660.db2.gz WFMRTAIUIDTPRE-QHCPKHFHSA-N 1 0 393.531 3.194 20 10 GGCDRO Cc1cc(C)c(O)c(C[NH+]2CCN(CC(=O)Nc3ccccc3Cl)CC2)c1 ZINC000121458064 1414132442 /nfs/dbraw/zinc/13/24/42/1414132442.db2.gz BQZLVXDAJQKBNP-UHFFFAOYSA-N 1 0 387.911 3.419 20 10 GGCDRO COc1cc(C)cc(C[NH+]2CCN(Cc3c(C)nc4cc(C)ccn43)CC2)c1O ZINC000121501189 1414152635 /nfs/dbraw/zinc/15/26/35/1414152635.db2.gz RLVUZYUXDRCERS-UHFFFAOYSA-N 1 0 394.519 3.292 20 10 GGCDRO CC[N@H+](CCCS(=O)(=O)C(C)C)Cc1cc(Br)ccc1O ZINC000121604740 1414196697 /nfs/dbraw/zinc/19/66/97/1414196697.db2.gz FODZDMLZBOATQD-UHFFFAOYSA-N 1 0 378.332 3.190 20 10 GGCDRO O=C(NCCCSc1nccs1)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000177549994 1428790082 /nfs/dbraw/zinc/79/00/82/1428790082.db2.gz VFJGDHXRYDIHSK-AWEZNQCLSA-N 1 0 380.539 3.355 20 10 GGCDRO C[C@@H]([NH2+]CCN1CCc2ccccc2C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000121735333 1414240737 /nfs/dbraw/zinc/24/07/37/1414240737.db2.gz TYGKTVBKOMARIA-GOSISDBHSA-N 1 0 383.511 3.371 20 10 GGCDRO COc1ccc(N2CC[NH+](CCC(=O)Nc3ccc(F)cc3)CC2)cc1F ZINC000121987722 1414332295 /nfs/dbraw/zinc/33/22/95/1414332295.db2.gz ZJVMOTPXQHQQHI-UHFFFAOYSA-N 1 0 375.419 3.124 20 10 GGCDRO COc1ccc(N2CCN(Cc3cnc4c(cnn4C(C)C)c3)CC2)cc1F ZINC000121990500 1414333602 /nfs/dbraw/zinc/33/36/02/1414333602.db2.gz PATBIHHZFYNLQP-UHFFFAOYSA-N 1 0 383.471 3.482 20 10 GGCDRO COc1ccc(N2CC[NH+](CCc3nc(-c4ccccc4)no3)CC2)cc1F ZINC000122014631 1414340760 /nfs/dbraw/zinc/34/07/60/1414340760.db2.gz UBFFHKHMWFZJOL-UHFFFAOYSA-N 1 0 382.439 3.249 20 10 GGCDRO C[C@H](CS(=O)(=O)c1ccccc1)[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000122160654 1414376965 /nfs/dbraw/zinc/37/69/65/1414376965.db2.gz VPMXKGLWSOITHW-QGZVFWFLSA-N 1 0 390.574 3.192 20 10 GGCDRO CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000122189475 1414383209 /nfs/dbraw/zinc/38/32/09/1414383209.db2.gz QUQXQYDJIGEJHC-MOPGFXCFSA-N 1 0 375.513 3.059 20 10 GGCDRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000122188946 1414383231 /nfs/dbraw/zinc/38/32/31/1414383231.db2.gz QUQXQYDJIGEJHC-RBUKOAKNSA-N 1 0 375.513 3.059 20 10 GGCDRO COc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(N3CC[NH+](C(C)C)CC3)c2)c1 ZINC000122269239 1414406730 /nfs/dbraw/zinc/40/67/30/1414406730.db2.gz RVEXZXYGLLNDEU-UHFFFAOYSA-N 1 0 398.463 3.386 20 10 GGCDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)c3cccc(C(=O)N(C)C)c3)c2)CC1 ZINC000122360224 1414434478 /nfs/dbraw/zinc/43/44/78/1414434478.db2.gz AVXQDKLJTMOZPO-UHFFFAOYSA-N 1 0 394.519 3.171 20 10 GGCDRO COC(=O)c1cccc(C(=O)Nc2cccc(N3CC[NH+](C(C)C)CC3)c2)c1 ZINC000122404037 1414447942 /nfs/dbraw/zinc/44/79/42/1414447942.db2.gz FNWQREWDLLOXDF-UHFFFAOYSA-N 1 0 381.476 3.256 20 10 GGCDRO COc1cc([C@@H](C)[NH2+]Cc2ccc(N(C)C)c(F)c2)ccc1S(C)(=O)=O ZINC000122444791 1414462034 /nfs/dbraw/zinc/46/20/34/1414462034.db2.gz DKMAWUAMDKNVOE-CYBMUJFWSA-N 1 0 380.485 3.155 20 10 GGCDRO COC(=O)c1ccc(C(=O)Nc2cccc(N3CC[NH+](C(C)C)CC3)c2)cc1 ZINC000122491527 1414480122 /nfs/dbraw/zinc/48/01/22/1414480122.db2.gz PKKURKDKOSHEOJ-UHFFFAOYSA-N 1 0 381.476 3.256 20 10 GGCDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)c3ccc(C(=O)N(C)C)cc3)c2)CC1 ZINC000122550361 1414497981 /nfs/dbraw/zinc/49/79/81/1414497981.db2.gz PSZKFQMYKXUXAJ-UHFFFAOYSA-N 1 0 394.519 3.171 20 10 GGCDRO COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)c1 ZINC000122622676 1414520258 /nfs/dbraw/zinc/52/02/58/1414520258.db2.gz FUOGUKMCRCWNIQ-MRXNPFEDSA-N 1 0 398.503 3.096 20 10 GGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000122700262 1414542452 /nfs/dbraw/zinc/54/24/52/1414542452.db2.gz QHHKEBROZTUCRZ-QGZVFWFLSA-N 1 0 387.549 3.452 20 10 GGCDRO COc1cc([C@H](C)[NH2+]Cc2ccc(N(C)C)cc2C)ccc1S(C)(=O)=O ZINC000122724336 1414549283 /nfs/dbraw/zinc/54/92/83/1414549283.db2.gz AVLLRYDKXNSOOQ-HNNXBMFYSA-N 1 0 376.522 3.324 20 10 GGCDRO N#Cc1ccc(OC[C@H](O)C[N@H+](Cc2ccco2)Cc2ccccc2O)cc1 ZINC000122822693 1414573921 /nfs/dbraw/zinc/57/39/21/1414573921.db2.gz DAWGKNNNHPLBJB-LJQANCHMSA-N 1 0 378.428 3.299 20 10 GGCDRO COc1ccc(N2CCCN(C(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)CC2)cc1 ZINC000177686752 1428833237 /nfs/dbraw/zinc/83/32/37/1428833237.db2.gz BGGPJQKZDRXZHB-LJQANCHMSA-N 1 0 385.552 3.389 20 10 GGCDRO CCN(CC)C(=O)C1([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CCCCC1 ZINC000123609494 1414793575 /nfs/dbraw/zinc/79/35/75/1414793575.db2.gz QPWORFLTTCYLCB-UHFFFAOYSA-N 1 0 391.531 3.323 20 10 GGCDRO COc1ccc(N2CC[NH+](CCCNC(=O)Nc3cscc3C)CC2)cc1 ZINC000123684869 1414809235 /nfs/dbraw/zinc/80/92/35/1414809235.db2.gz RRWWFARBLVNNPM-UHFFFAOYSA-N 1 0 388.537 3.399 20 10 GGCDRO C[NH+](C)CCNC(=O)c1ccc(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])cc1 ZINC000123871346 1414839380 /nfs/dbraw/zinc/83/93/80/1414839380.db2.gz AFXBIGRFAIVNGI-UHFFFAOYSA-N 1 0 396.318 3.280 20 10 GGCDRO COc1ccc(N2CCC([NH2+][C@@H](CO)Cc3c[nH]c4ccccc34)CC2)cc1 ZINC000124033717 1414873248 /nfs/dbraw/zinc/87/32/48/1414873248.db2.gz NSPBGCGOECTGCX-LJQANCHMSA-N 1 0 379.504 3.339 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)/C=C/c3ccc(O)cc3)cc2F)CC1 ZINC000124927716 1415074434 /nfs/dbraw/zinc/07/44/34/1415074434.db2.gz QZJBQJLSWZGWTO-UXBLZVDNSA-N 1 0 383.467 3.003 20 10 GGCDRO C[N@H+](CCCNC(=O)NCc1ccc(N2CC=CC2)cc1)Cc1ccccc1 ZINC000125106774 1415110134 /nfs/dbraw/zinc/11/01/34/1415110134.db2.gz FJHYJULICGLDTF-UHFFFAOYSA-N 1 0 378.520 3.384 20 10 GGCDRO C[C@@H](CNC(=O)NCc1ccc(N2CC=CC2)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000125135164 1415116208 /nfs/dbraw/zinc/11/62/08/1415116208.db2.gz QREMATWJKRPJCM-IBGZPJMESA-N 1 0 390.531 3.309 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3sc(Cl)nc3C)cc2F)CC1 ZINC000177831497 1428867695 /nfs/dbraw/zinc/86/76/95/1428867695.db2.gz RBQNDIHQMPGNKC-UHFFFAOYSA-N 1 0 396.919 3.316 20 10 GGCDRO CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000125208269 1415130195 /nfs/dbraw/zinc/13/01/95/1415130195.db2.gz GQTSWSNHNOTDKK-KRWDZBQOSA-N 1 0 389.565 3.431 20 10 GGCDRO O=C(NCCC[N@@H+]1CCc2ccccc2C1)NCc1ccc(N2CC=CC2)cc1 ZINC000125368798 1415178127 /nfs/dbraw/zinc/17/81/27/1415178127.db2.gz KFTPJLNPMHMXHL-UHFFFAOYSA-N 1 0 390.531 3.310 20 10 GGCDRO CCOC(=O)N[C@@H](C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)CC(C)C ZINC000125549378 1415224438 /nfs/dbraw/zinc/22/44/38/1415224438.db2.gz WCLAPNTWGPSGHN-FUHWJXTLSA-N 1 0 395.519 3.474 20 10 GGCDRO C[C@@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000125748812 1415269555 /nfs/dbraw/zinc/26/95/55/1415269555.db2.gz PXMFLJQBPBECAE-KGLIPLIRSA-N 1 0 391.865 3.464 20 10 GGCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000125860941 1415299427 /nfs/dbraw/zinc/29/94/27/1415299427.db2.gz APVJLDZZPPTDCE-UHFFFAOYSA-N 1 0 383.492 3.140 20 10 GGCDRO C[C@@H](CNC(=O)NCc1ccc(N2CCSCC2)cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000126990381 1415628719 /nfs/dbraw/zinc/62/87/19/1415628719.db2.gz ARUSEGILPXELQB-ROUUACIJSA-N 1 0 390.597 3.159 20 10 GGCDRO CN(C(=O)OC(C)(C)C)[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000126992892 1415629208 /nfs/dbraw/zinc/62/92/08/1415629208.db2.gz WHNZSHPQNXHESI-FQEVSTJZSA-N 1 0 389.540 3.355 20 10 GGCDRO Cc1cc(C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)c(C)n1-c1cccc(C)c1 ZINC000178069945 1428968532 /nfs/dbraw/zinc/96/85/32/1428968532.db2.gz FGVVQNRGDXWURQ-HXUWFJFHSA-N 1 0 381.520 3.197 20 10 GGCDRO Cc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccc(N3CCOCC3)cc2)c(F)c1 ZINC000127219496 1415691273 /nfs/dbraw/zinc/69/12/73/1415691273.db2.gz OXMDSWAROFQXGV-KRWDZBQOSA-N 1 0 385.483 3.430 20 10 GGCDRO Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000178091167 1428977962 /nfs/dbraw/zinc/97/79/62/1428977962.db2.gz DLGUKGVEPOPKJN-HXUWFJFHSA-N 1 0 381.520 3.197 20 10 GGCDRO Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178091153 1428978191 /nfs/dbraw/zinc/97/81/91/1428978191.db2.gz DLGUKGVEPOPKJN-FQEVSTJZSA-N 1 0 381.520 3.197 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3ccc(Cl)nc3C)cc2F)CC1 ZINC000127273900 1415712988 /nfs/dbraw/zinc/71/29/88/1415712988.db2.gz ODGPLDDBVDCOJR-UHFFFAOYSA-N 1 0 390.890 3.254 20 10 GGCDRO COc1ccc(O)c(C[NH2+][C@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)c1 ZINC000127287151 1415720808 /nfs/dbraw/zinc/72/08/08/1415720808.db2.gz CKFORHDKUBHARJ-VQTJNVASSA-N 1 0 376.884 3.216 20 10 GGCDRO O=C(NCc1ccc(N2CC=CC2)cc1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000127961807 1415884088 /nfs/dbraw/zinc/88/40/88/1415884088.db2.gz FLTDUHIBFJXMSP-SIKLNZKXSA-N 1 0 380.536 3.221 20 10 GGCDRO O=C(NCc1ccc(N2CC=CC2)cc1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000127962011 1415884195 /nfs/dbraw/zinc/88/41/95/1415884195.db2.gz FLTDUHIBFJXMSP-UGKGYDQZSA-N 1 0 380.536 3.221 20 10 GGCDRO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)c1 ZINC000128318368 1415961478 /nfs/dbraw/zinc/96/14/78/1415961478.db2.gz WPTJBMXEPHIWTD-UHFFFAOYSA-N 1 0 396.535 3.192 20 10 GGCDRO C[C@@H]([NH2+]C1CCN(Cc2ccncc2)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000178231592 1429024846 /nfs/dbraw/zinc/02/48/46/1429024846.db2.gz LTBQAWRSUWGKNI-GOSISDBHSA-N 1 0 398.526 3.373 20 10 GGCDRO C[C@H]([NH2+]C1CCN(Cc2ccncc2)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000178231578 1429024866 /nfs/dbraw/zinc/02/48/66/1429024866.db2.gz LTBQAWRSUWGKNI-SFHVURJKSA-N 1 0 398.526 3.373 20 10 GGCDRO C[C@@H]([NH2+]CC1CCN(S(C)(=O)=O)CC1)c1ccc(N2CCCCCC2)cc1 ZINC000178263849 1429037477 /nfs/dbraw/zinc/03/74/77/1429037477.db2.gz RNRUZDPWJLMVLP-GOSISDBHSA-N 1 0 393.597 3.389 20 10 GGCDRO C[C@@H]([NH2+]CCC(=O)N1CCN(c2ccccc2)CC1)c1ccc(N(C)C)cc1 ZINC000128531685 1416007138 /nfs/dbraw/zinc/00/71/38/1416007138.db2.gz OLGPGVYWKMALQR-LJQANCHMSA-N 1 0 380.536 3.142 20 10 GGCDRO C[C@H]([NH2+]CCC(=O)NC1CCCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000128773592 1416065408 /nfs/dbraw/zinc/06/54/08/1416065408.db2.gz GHARUYFSNILNCD-INIZCTEOSA-N 1 0 377.504 3.152 20 10 GGCDRO C[C@H]([NH2+]C1CCN(CC(F)(F)F)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000178369010 1429062593 /nfs/dbraw/zinc/06/25/93/1429062593.db2.gz KNCGFSGWFHJSAJ-AWEZNQCLSA-N 1 0 389.437 3.340 20 10 GGCDRO CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000129924947 1416285999 /nfs/dbraw/zinc/28/59/99/1416285999.db2.gz XLKDSRZVRVSCLO-IUODEOHRSA-N 1 0 396.329 3.311 20 10 GGCDRO CC[C@H]([NH2+]Cc1ccccc1S(=O)(=O)N(C)C)c1ccc(N(C)C)cc1 ZINC000129928113 1416286538 /nfs/dbraw/zinc/28/65/38/1416286538.db2.gz ZUQWXVPRBRGLDN-IBGZPJMESA-N 1 0 375.538 3.244 20 10 GGCDRO CCN(CC)C(=O)C[C@H](C)[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000130096499 1416317444 /nfs/dbraw/zinc/31/74/44/1416317444.db2.gz LCWHBKOVPJPPBE-HOTGVXAUSA-N 1 0 383.483 3.493 20 10 GGCDRO O=C(NCCCSc1nccs1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000130123763 1416322606 /nfs/dbraw/zinc/32/26/06/1416322606.db2.gz FJZQZMUTTZWWJQ-GOEBONIOSA-N 1 0 380.583 3.284 20 10 GGCDRO CCC[N@H+](CC(=O)Nc1ccc(CN2CCOCC2)cc1)Cc1ccccc1O ZINC000130736223 1416438891 /nfs/dbraw/zinc/43/88/91/1416438891.db2.gz SBCRWLVKWLDMMV-UHFFFAOYSA-N 1 0 397.519 3.075 20 10 GGCDRO Cc1cc(O)c(C[NH2+]C[C@H](O)COc2ccccc2Br)cc1C ZINC000131014821 1416496140 /nfs/dbraw/zinc/49/61/40/1416496140.db2.gz JGRGHVFNJNMDJG-HNNXBMFYSA-N 1 0 380.282 3.301 20 10 GGCDRO C[C@H]([NH2+][C@H]1CCCN(Cc2ccccc2)C1=O)c1ccc(N2CCOCC2)cc1 ZINC000131031166 1416498609 /nfs/dbraw/zinc/49/86/09/1416498609.db2.gz LTGKFXGNWLPRKH-CVDCTZTESA-N 1 0 393.531 3.365 20 10 GGCDRO CN(C)c1ccc(C[NH2+]C[C@H](O)COc2ccccc2Br)cc1F ZINC000131050497 1416501554 /nfs/dbraw/zinc/50/15/54/1416501554.db2.gz BHOHTFLTLNTAGV-AWEZNQCLSA-N 1 0 397.288 3.184 20 10 GGCDRO CN(C)c1ccc(C[NH2+]C[C@@H](O)COc2ccccc2Br)cc1F ZINC000131050702 1416501619 /nfs/dbraw/zinc/50/16/19/1416501619.db2.gz BHOHTFLTLNTAGV-CQSZACIVSA-N 1 0 397.288 3.184 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)CC3CCC(OC)CC3)cc2F)CC1 ZINC000131329241 1416540835 /nfs/dbraw/zinc/54/08/35/1416540835.db2.gz CAHFCSHCWNEAQU-UHFFFAOYSA-N 1 0 391.531 3.179 20 10 GGCDRO COc1ccc(-n2c(C)cc(C(=O)NCCCC[N@@H+]3CCC[C@H]3CO)c2C)cc1 ZINC000131552302 1416575118 /nfs/dbraw/zinc/57/51/18/1416575118.db2.gz DVOIMYXEZLMCPM-FQEVSTJZSA-N 1 0 399.535 3.069 20 10 GGCDRO COc1cc(Br)cc(C[NH2+][C@@H]2CCN(C3CCCCC3)C2=O)c1O ZINC000131584891 1416579975 /nfs/dbraw/zinc/57/99/75/1416579975.db2.gz UMABNYSQEAFJSB-OAHLLOKOSA-N 1 0 397.313 3.187 20 10 GGCDRO COc1cc([C@H](C)[NH2+]CCCSc2nccs2)ccc1S(C)(=O)=O ZINC000132227297 1416720434 /nfs/dbraw/zinc/72/04/34/1416720434.db2.gz CDSJKVXQQQEXJO-LBPRGKRZSA-N 1 0 386.564 3.388 20 10 GGCDRO C[C@@H]([NH2+]C[C@H](Cc1ccccc1)N(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000132873616 1416825623 /nfs/dbraw/zinc/82/56/23/1416825623.db2.gz ZCZRYJFIONRJGS-NQIIRXRSSA-N 1 0 385.527 3.486 20 10 GGCDRO C[C@H]([NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccc(N2CCOCC2)cc1 ZINC000178666094 1429132945 /nfs/dbraw/zinc/13/29/45/1429132945.db2.gz MIWFYIPMKXRKLL-IRXDYDNUSA-N 1 0 388.533 3.339 20 10 GGCDRO Cn1cc(N2CCC[C@@H]([N@H+](C)Cc3ccc(N4CCCCC4)cc3)C2=O)cn1 ZINC000133622970 1416923841 /nfs/dbraw/zinc/92/38/41/1416923841.db2.gz GYMLJDVCZCOEGJ-OAQYLSRUSA-N 1 0 381.524 3.038 20 10 GGCDRO CCC[N@H+](Cc1ccccc1O)[C@@H](C)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000178719962 1429150742 /nfs/dbraw/zinc/15/07/42/1429150742.db2.gz AUQDBXITQWRDQL-SFHVURJKSA-N 1 0 397.519 3.468 20 10 GGCDRO O=C(CCC1CCOCC1)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134262105 1417045752 /nfs/dbraw/zinc/04/57/52/1417045752.db2.gz HAZLJMPAZLPHQE-GOSISDBHSA-N 1 0 380.916 3.333 20 10 GGCDRO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1ccncc1Cl ZINC000134263987 1417046509 /nfs/dbraw/zinc/04/65/09/1417046509.db2.gz SVFVPGVPESHUDW-CQSZACIVSA-N 1 0 380.275 3.488 20 10 GGCDRO CC(C)c1cc(C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)n(C)n1 ZINC000134265686 1417046853 /nfs/dbraw/zinc/04/68/53/1417046853.db2.gz NBYWECXPLMBFTD-INIZCTEOSA-N 1 0 390.915 3.297 20 10 GGCDRO CC(C)c1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)n(C)n1 ZINC000134265665 1417047016 /nfs/dbraw/zinc/04/70/16/1417047016.db2.gz NBYWECXPLMBFTD-MRXNPFEDSA-N 1 0 390.915 3.297 20 10 GGCDRO COc1ccc(O)c(CNC(=O)NC2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)c1 ZINC000135586881 1417240989 /nfs/dbraw/zinc/24/09/89/1417240989.db2.gz TULCNPNGZAVKGH-IAGOWNOFSA-N 1 0 397.519 3.357 20 10 GGCDRO CC(C)[C@H](C(=O)NCc1ccc(N2CCC(CO)CC2)cc1)[NH+]1CCCCC1 ZINC000136214143 1417301420 /nfs/dbraw/zinc/30/14/20/1417301420.db2.gz REPIXDIJXMBHMI-JOCHJYFZSA-N 1 0 387.568 3.022 20 10 GGCDRO Cc1ccc(C)n1-c1ccc(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000136974119 1417358866 /nfs/dbraw/zinc/35/88/66/1417358866.db2.gz RUXYLVAEKIAXMB-LJQANCHMSA-N 1 0 381.520 3.325 20 10 GGCDRO Cc1cc(C(=O)CN2CC[NH+](C[C@H]3CCOC3)CC2)c(C)n1-c1cccc(C)c1 ZINC000178826939 1429185375 /nfs/dbraw/zinc/18/53/75/1429185375.db2.gz LYYVKFPQTNXTQO-OAQYLSRUSA-N 1 0 395.547 3.239 20 10 GGCDRO COc1ccc(N2CCN(C(=O)CN(C)[C@H](C)c3ccc(F)cc3)CC2)cc1 ZINC000139997927 1417484392 /nfs/dbraw/zinc/48/43/92/1417484392.db2.gz LRJIQSAHZZWEOC-QGZVFWFLSA-N 1 0 385.483 3.176 20 10 GGCDRO C[C@H](NC(=O)Nc1cccc(C[NH+](C)C)c1)c1ccc(N2CCOCC2)cc1 ZINC000141825626 1417558676 /nfs/dbraw/zinc/55/86/76/1417558676.db2.gz SJPDBQIQDVSJHF-KRWDZBQOSA-N 1 0 382.508 3.468 20 10 GGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccc(N2CCOC2=O)cc1 ZINC000142772704 1417598802 /nfs/dbraw/zinc/59/88/02/1417598802.db2.gz YIWAFHGDGDJGHI-QGZVFWFLSA-N 1 0 381.476 3.331 20 10 GGCDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccc(N2CCOC2=O)cc1 ZINC000142772511 1417599376 /nfs/dbraw/zinc/59/93/76/1417599376.db2.gz YIWAFHGDGDJGHI-KRWDZBQOSA-N 1 0 381.476 3.331 20 10 GGCDRO Cc1cc(C)c(O)c(C[NH+]2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)c1 ZINC000178855028 1429197034 /nfs/dbraw/zinc/19/70/34/1429197034.db2.gz KJKOIWKJYWBMFU-UHFFFAOYSA-N 1 0 392.496 3.091 20 10 GGCDRO O=C(NCc1ccc(N2CCCC2)cc1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000178874589 1429205467 /nfs/dbraw/zinc/20/54/67/1429205467.db2.gz ZLLWVGZCYKXHBW-UGKGYDQZSA-N 1 0 382.552 3.445 20 10 GGCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc([S@@](C)=O)cc1 ZINC000151537895 1418017573 /nfs/dbraw/zinc/01/75/73/1418017573.db2.gz MLDXIWFHIGZZCN-QZXCRCNTSA-N 1 0 390.524 3.375 20 10 GGCDRO OCC1CCN(c2ccc(C[NH2+]C3CCN(CC(F)(F)F)CC3)cc2)CC1 ZINC000151563414 1418026371 /nfs/dbraw/zinc/02/63/71/1418026371.db2.gz FEVIMHZSJYOTIS-UHFFFAOYSA-N 1 0 385.474 3.012 20 10 GGCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)c1ccc(-n2cncn2)cc1 ZINC000151592695 1418034694 /nfs/dbraw/zinc/03/46/94/1418034694.db2.gz YLRWPVLDNCWTQI-SFHVURJKSA-N 1 0 391.519 3.327 20 10 GGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)c1ccc(-n2cncn2)cc1 ZINC000151592749 1418034733 /nfs/dbraw/zinc/03/47/33/1418034733.db2.gz YLRWPVLDNCWTQI-GOSISDBHSA-N 1 0 391.519 3.327 20 10 GGCDRO COc1cccc([C@@H](CNC(=O)NCCCSc2nccs2)[NH+](C)C)c1 ZINC000151702089 1418066261 /nfs/dbraw/zinc/06/62/61/1418066261.db2.gz BZDVBKKIUXHPSM-MRXNPFEDSA-N 1 0 394.566 3.236 20 10 GGCDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NCc2ccc(N(C)C)c(F)c2)CC1 ZINC000152072254 1418138043 /nfs/dbraw/zinc/13/80/43/1418138043.db2.gz JISLGAAOWMEUAL-MRXNPFEDSA-N 1 0 399.514 3.312 20 10 GGCDRO O=C(NCCCSc1nccs1)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000152187040 1418168781 /nfs/dbraw/zinc/16/87/81/1418168781.db2.gz LTUGYSXDRWXHAE-UHFFFAOYSA-N 1 0 390.578 3.373 20 10 GGCDRO Fc1cc(C[NH2+]CCOc2ccc(C(F)(F)F)cn2)ccc1N1CCOCC1 ZINC000152204845 1418172778 /nfs/dbraw/zinc/17/27/78/1418172778.db2.gz PRVYYIYPFBKLSI-UHFFFAOYSA-N 1 0 399.388 3.245 20 10 GGCDRO Cc1cc(C(=O)N(C)[C@H]2CC[NH2+]C2)c(C)n1-c1ccccc1Br ZINC000179090893 1429259585 /nfs/dbraw/zinc/25/95/85/1429259585.db2.gz YVPKKKQQRSDJQE-AWEZNQCLSA-N 1 0 376.298 3.291 20 10 GGCDRO Cc1cc(C(=O)N(C)[C@@H]2CC[NH2+]C2)c(C)n1-c1cccc(Br)c1 ZINC000179109278 1429265508 /nfs/dbraw/zinc/26/55/08/1429265508.db2.gz VPYURGDMVZVIIR-MRXNPFEDSA-N 1 0 376.298 3.291 20 10 GGCDRO Cc1cc2ncc([C@@H](C)[NH2+]Cc3ccc(N4CCC(O)CC4)c(F)c3)c(C)n2n1 ZINC000179405569 1429361704 /nfs/dbraw/zinc/36/17/04/1429361704.db2.gz DAXHZMHOJJZRTD-OAHLLOKOSA-N 1 0 397.498 3.297 20 10 GGCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000179457598 1429382948 /nfs/dbraw/zinc/38/29/48/1429382948.db2.gz LTVLEWSBQALJHA-QHCPKHFHSA-N 1 0 395.547 3.299 20 10 GGCDRO Oc1ccccc1C[NH+]1CCN(CCCc2nc(-c3cccs3)no2)CC1 ZINC000179561126 1429433345 /nfs/dbraw/zinc/43/33/45/1429433345.db2.gz SYZHPEVORXZRPS-UHFFFAOYSA-N 1 0 384.505 3.254 20 10 GGCDRO CC[C@H](CSC)N(C)C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000179642757 1429486190 /nfs/dbraw/zinc/48/61/90/1429486190.db2.gz RTLRWIPRAMQNJH-QGZVFWFLSA-N 1 0 396.576 3.251 20 10 GGCDRO C[C@H](c1ccccc1)[N@H+](CC(=O)N(C)Cc1cnn(C)c1)Cc1ccccc1O ZINC000179646475 1429487643 /nfs/dbraw/zinc/48/76/43/1429487643.db2.gz WKSXXZZXMBDPPN-GOSISDBHSA-N 1 0 392.503 3.348 20 10 GGCDRO Cc1ccc(-c2noc(CN3CC[NH+](Cc4cccc(C)c4O)CC3)n2)cc1 ZINC000179657778 1429494247 /nfs/dbraw/zinc/49/42/47/1429494247.db2.gz BSZUOSHESFTPGV-UHFFFAOYSA-N 1 0 378.476 3.377 20 10 GGCDRO COc1cccc(CNC(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)c1O ZINC000152682011 1422207599 /nfs/dbraw/zinc/20/75/99/1422207599.db2.gz OMYAPXQBWGUQEJ-UHFFFAOYSA-N 1 0 375.513 3.243 20 10 GGCDRO COc1cccc(CN2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)c1O ZINC000152849906 1422270415 /nfs/dbraw/zinc/27/04/15/1422270415.db2.gz NEBBDABUMGGMQN-UHFFFAOYSA-N 1 0 394.393 3.378 20 10 GGCDRO Cc1cc(C(=O)N2CCC([N@H+](C)CCCO)CC2)c(C)n1-c1cccc(C)c1 ZINC000179759105 1429544256 /nfs/dbraw/zinc/54/42/56/1429544256.db2.gz OKOMBLDTWACXKO-UHFFFAOYSA-N 1 0 383.536 3.321 20 10 GGCDRO CC(C)(C)OC(=O)NC1CCC([NH2+]Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000152884356 1422283373 /nfs/dbraw/zinc/28/33/73/1422283373.db2.gz CHSAVXJSBOCXSS-UHFFFAOYSA-N 1 0 389.540 3.449 20 10 GGCDRO C[NH+](C)[C@@H](CNC(=O)NCc1ccc(N2CC=CC2)cc1)c1cccc(F)c1 ZINC000152940288 1422303156 /nfs/dbraw/zinc/30/31/56/1422303156.db2.gz IMFPVUCRHMYWPC-NRFANRHFSA-N 1 0 382.483 3.304 20 10 GGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCOc2ccc(S(C)(=O)=O)cc2)cc1 ZINC000153077385 1422348699 /nfs/dbraw/zinc/34/86/99/1422348699.db2.gz JZYKXPOVGBZCHV-MRXNPFEDSA-N 1 0 376.522 3.276 20 10 GGCDRO CC[C@H]([NH2+]CCOc1ccc(S(C)(=O)=O)cc1)c1ccc(N(C)C)cc1 ZINC000153110500 1422360753 /nfs/dbraw/zinc/36/07/53/1422360753.db2.gz FVZVEHJCRGPMTB-FQEVSTJZSA-N 1 0 376.522 3.276 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3ccn(C4CCCC4)n3)cc2F)CC1 ZINC000153144744 1422370829 /nfs/dbraw/zinc/37/08/29/1422370829.db2.gz GLXYKSVLUJSHQP-UHFFFAOYSA-N 1 0 399.514 3.209 20 10 GGCDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2)c1ccc(N2CCCCC2)cc1 ZINC000153254918 1422421792 /nfs/dbraw/zinc/42/17/92/1422421792.db2.gz WAWWDEVQSCNNGH-YLJYHZDGSA-N 1 0 398.503 3.496 20 10 GGCDRO CCOc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000153317785 1422466489 /nfs/dbraw/zinc/46/64/89/1422466489.db2.gz KLKGPPPHJQQAOG-GOSISDBHSA-N 1 0 397.519 3.381 20 10 GGCDRO C[C@H](C(=O)Nc1cccnc1Cl)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000153331589 1422474822 /nfs/dbraw/zinc/47/48/22/1422474822.db2.gz PLPJPGULHPIUMS-OAHLLOKOSA-N 1 0 388.899 3.031 20 10 GGCDRO COc1ccc(O)c(C[N@H+](C)C[C@H](O)COc2ccccc2C(F)(F)F)c1 ZINC000179801731 1429575818 /nfs/dbraw/zinc/57/58/18/1429575818.db2.gz WDKGAQVURCIFML-AWEZNQCLSA-N 1 0 385.382 3.291 20 10 GGCDRO COc1ccc(O)c(C[N@H+](C)C[C@H](O)COc2ccc(C(F)(F)F)cc2)c1 ZINC000179800654 1429573547 /nfs/dbraw/zinc/57/35/47/1429573547.db2.gz MPRQXVWNAQVBCR-HNNXBMFYSA-N 1 0 385.382 3.291 20 10 GGCDRO O=C(/C=C/c1ccc(N2CCOCC2)cc1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000154028900 1422828379 /nfs/dbraw/zinc/82/83/79/1422828379.db2.gz YYDLJFIVBATOCA-OWCINNQBSA-N 1 0 395.547 3.012 20 10 GGCDRO COc1ccc(N2CCC([NH2+]CC3(N4CCOCC4)CCCCC3)CC2)cc1 ZINC000154172944 1422850087 /nfs/dbraw/zinc/85/00/87/1422850087.db2.gz BBYCRTUOZBKMRW-UHFFFAOYSA-N 1 0 387.568 3.289 20 10 GGCDRO CCc1onc(C)c1NC(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000154214816 1422856564 /nfs/dbraw/zinc/85/65/64/1422856564.db2.gz PPXFMGZNCBVHPS-UHFFFAOYSA-N 1 0 389.475 3.148 20 10 GGCDRO CC(C)(C)OC(=O)NC1CC[NH+](Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000154864786 1423059479 /nfs/dbraw/zinc/05/94/79/1423059479.db2.gz XILCQFXZKAVCOT-UHFFFAOYSA-N 1 0 393.503 3.151 20 10 GGCDRO COc1ccc([C@H]2CC[N@H+](CC(=O)N(C)Cc3ccc(N(C)C)cc3)C2)cc1 ZINC000155187302 1423226604 /nfs/dbraw/zinc/22/66/04/1423226604.db2.gz BFUMKXAKIMSLAP-FQEVSTJZSA-N 1 0 381.520 3.209 20 10 GGCDRO C[C@@H]([NH2+]CCc1ccc2c(c1)OCCO2)c1ccc(N2CCOCC2)c(F)c1 ZINC000155199244 1423239793 /nfs/dbraw/zinc/23/97/93/1423239793.db2.gz KBYMPUHMHNXLNL-MRXNPFEDSA-N 1 0 386.467 3.327 20 10 GGCDRO COc1ccc(C[N@H+](C)Cc2ccc(N3CCCCC3)cc2)cc1OCC(N)=O ZINC000155243094 1423268791 /nfs/dbraw/zinc/26/87/91/1423268791.db2.gz PPLAYRVKYJIGNC-UHFFFAOYSA-N 1 0 397.519 3.182 20 10 GGCDRO C[NH+](C)CCN(Cc1ccccc1)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000155693524 1423489358 /nfs/dbraw/zinc/48/93/58/1423489358.db2.gz TUAGILPFOLAYOM-UHFFFAOYSA-N 1 0 378.520 3.336 20 10 GGCDRO CCS(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000179941322 1429653238 /nfs/dbraw/zinc/65/32/38/1429653238.db2.gz CPPCAVJKUYITTM-KRWDZBQOSA-N 1 0 388.533 3.168 20 10 GGCDRO C[C@H](CCn1cccn1)[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000157610385 1424048342 /nfs/dbraw/zinc/04/83/42/1424048342.db2.gz QDBBDIHNXCDYMJ-OAHLLOKOSA-N 1 0 382.430 3.307 20 10 GGCDRO COc1cc(Br)cc(C[NH2+]C[C@@](C)(O)c2ccc(F)cc2)c1O ZINC000157779849 1424086538 /nfs/dbraw/zinc/08/65/38/1424086538.db2.gz OGBIRSPOIZYKES-QGZVFWFLSA-N 1 0 384.245 3.300 20 10 GGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C2CCN(S(=O)(=O)CC(C)C)CC2)cc1 ZINC000180025210 1429700751 /nfs/dbraw/zinc/70/07/51/1429700751.db2.gz NUOWIBKBOOMWNL-QGZVFWFLSA-N 1 0 381.586 3.244 20 10 GGCDRO C[C@@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000158172772 1424186078 /nfs/dbraw/zinc/18/60/78/1424186078.db2.gz KHJYHCTVSSPYDS-QFBILLFUSA-N 1 0 377.529 3.257 20 10 GGCDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCc2ccc(N3CCSCC3)cc2)C1 ZINC000158221935 1424199487 /nfs/dbraw/zinc/19/94/87/1424199487.db2.gz ACLRVUXUPGRJJM-LJQANCHMSA-N 1 0 390.597 3.017 20 10 GGCDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000158469500 1424266064 /nfs/dbraw/zinc/26/60/64/1424266064.db2.gz QHQFPZVLCMRAMK-UHFFFAOYSA-N 1 0 387.568 3.240 20 10 GGCDRO COc1ccc(N2CCC([NH2+]C[C@H]3CN(Cc4ccccc4)CCO3)CC2)cc1 ZINC000158702820 1424322979 /nfs/dbraw/zinc/32/29/79/1424322979.db2.gz VJBMUJNJFBDBIB-DEOSSOPVSA-N 1 0 395.547 3.155 20 10 GGCDRO C[C@H]([NH2+]CCN(C)C(=O)OC(C)(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000158724618 1424327678 /nfs/dbraw/zinc/32/76/78/1424327678.db2.gz NWKSSDRWKALHHT-HNNXBMFYSA-N 1 0 381.492 3.180 20 10 GGCDRO CC(C)N(CC[NH+](C)C)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000159274104 1424468422 /nfs/dbraw/zinc/46/84/22/1424468422.db2.gz PHSNIXKRGJRIOC-MRXNPFEDSA-N 1 0 398.498 3.238 20 10 GGCDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3cccc(C)c3F)CC2)cc1 ZINC000159690490 1424524209 /nfs/dbraw/zinc/52/42/09/1424524209.db2.gz NATNCTIXJQYDBO-UHFFFAOYSA-N 1 0 385.483 3.085 20 10 GGCDRO COc1cc(C[NH+]2CCC(C(=O)NCc3ccc(F)cc3)CC2)c(O)cc1C ZINC000159880954 1424547594 /nfs/dbraw/zinc/54/75/94/1424547594.db2.gz LGUVJRBMIVNLLM-UHFFFAOYSA-N 1 0 386.467 3.377 20 10 GGCDRO Oc1ccccc1C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@H]1CCCO1 ZINC000160183551 1424584258 /nfs/dbraw/zinc/58/42/58/1424584258.db2.gz FPAYRXWOUJWYSI-JOCHJYFZSA-N 1 0 382.504 3.410 20 10 GGCDRO CC(C)OCCCNC(=O)C1CC[NH+](Cc2cc3c(cc2O)CCCC3)CC1 ZINC000160231930 1424589074 /nfs/dbraw/zinc/58/90/74/1424589074.db2.gz PQCCODQGUHSTMC-UHFFFAOYSA-N 1 0 388.552 3.414 20 10 GGCDRO COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c1 ZINC000160256929 1424590442 /nfs/dbraw/zinc/59/04/42/1424590442.db2.gz QERSECUMWVYYET-XYJFISCASA-N 1 0 383.492 3.424 20 10 GGCDRO COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c1 ZINC000160256618 1424590750 /nfs/dbraw/zinc/59/07/50/1424590750.db2.gz QERSECUMWVYYET-RYRKJORJSA-N 1 0 383.492 3.424 20 10 GGCDRO CC(=O)NC1CCC([NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)CC1 ZINC000161309964 1424675639 /nfs/dbraw/zinc/67/56/39/1424675639.db2.gz IQNBQNKTGVOGQU-UHFFFAOYSA-N 1 0 399.457 3.079 20 10 GGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H](C)c2cccc(S(=O)(=O)NC)c2)cc1 ZINC000161419509 1424687405 /nfs/dbraw/zinc/68/74/05/1424687405.db2.gz OHRKRWWRMMABQA-HOTGVXAUSA-N 1 0 375.538 3.463 20 10 GGCDRO CC(=O)NC1CCC([NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1 ZINC000161584743 1424718103 /nfs/dbraw/zinc/71/81/03/1424718103.db2.gz MRXMPMUPCMXUCS-OFLPRAFFSA-N 1 0 381.467 3.294 20 10 GGCDRO CCN(Cc1ccccc1)C(=O)C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000161939818 1424800915 /nfs/dbraw/zinc/80/09/15/1424800915.db2.gz VXIQNOXRYKJEHF-GOSISDBHSA-N 1 0 399.510 3.362 20 10 GGCDRO CCN(Cc1ccccc1)C(=O)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000161939732 1424801011 /nfs/dbraw/zinc/80/10/11/1424801011.db2.gz VXIQNOXRYKJEHF-SFHVURJKSA-N 1 0 399.510 3.362 20 10 GGCDRO CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)C1 ZINC000163005166 1424922186 /nfs/dbraw/zinc/92/21/86/1424922186.db2.gz MENQJRPFKRZUDK-RKUBHGAOSA-N 1 0 382.545 3.393 20 10 GGCDRO C[C@@H]([NH2+]C[C@@H]1CCN(CC(F)(F)F)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000163118657 1424944963 /nfs/dbraw/zinc/94/49/63/1424944963.db2.gz KWENKQLYMGMHSN-CABCVRRESA-N 1 0 389.437 3.197 20 10 GGCDRO COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)C[NH2+]C[C@H]2CCCO2)cc1 ZINC000163669582 1425031597 /nfs/dbraw/zinc/03/15/97/1425031597.db2.gz IBDLDZGJFCCNNR-JOCHJYFZSA-N 1 0 397.519 3.063 20 10 GGCDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000163704486 1425036351 /nfs/dbraw/zinc/03/63/51/1425036351.db2.gz WIEYAYDJDDEEDE-KRWDZBQOSA-N 1 0 381.524 3.172 20 10 GGCDRO COCCCNC(=O)C1CC[NH+](Cc2cc(OC)cc(C(C)(C)C)c2O)CC1 ZINC000164195257 1425086527 /nfs/dbraw/zinc/08/65/27/1425086527.db2.gz CFENBVLPDKTIKH-UHFFFAOYSA-N 1 0 392.540 3.063 20 10 GGCDRO Cc1cc(C)c(O)c(C[N@H+](C)CCCOc2cccc(S(C)(=O)=O)c2)c1 ZINC000164228510 1425089958 /nfs/dbraw/zinc/08/99/58/1425089958.db2.gz AKLGBEIOPACQSJ-UHFFFAOYSA-N 1 0 377.506 3.313 20 10 GGCDRO C[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(N2CCOCC2)cc1 ZINC000164496399 1425117891 /nfs/dbraw/zinc/11/78/91/1425117891.db2.gz AYCYOISVNYILMZ-WMZOPIPTSA-N 1 0 375.513 3.183 20 10 GGCDRO COc1cccc2c1OC[C@H]([NH2+][C@H](C)c1ccc(N3CCOCC3)c(F)c1)C2 ZINC000164577259 1425125826 /nfs/dbraw/zinc/12/58/26/1425125826.db2.gz NQDXOPQVNBLHEZ-CRAIPNDOSA-N 1 0 386.467 3.325 20 10 GGCDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1)C(=O)N1CCOCC1 ZINC000165039498 1425158702 /nfs/dbraw/zinc/15/87/02/1425158702.db2.gz YQRQLBVOHQHGCW-QFBILLFUSA-N 1 0 377.504 3.104 20 10 GGCDRO C[C@@H]([NH2+]CCc1cccc(C(=O)N(C)C)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000165183660 1425169269 /nfs/dbraw/zinc/16/92/69/1425169269.db2.gz JWUPJEUICOXQJJ-QGZVFWFLSA-N 1 0 399.510 3.257 20 10 GGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1ccc([S@@](C)=O)cc1 ZINC000165188296 1425169727 /nfs/dbraw/zinc/16/97/27/1425169727.db2.gz YNGRLNSRPDBBNW-WZQKQDCOSA-N 1 0 376.497 3.251 20 10 GGCDRO FC(F)(F)c1cc(N2CCOCC2)ccc1CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166212009 1425208346 /nfs/dbraw/zinc/20/83/46/1425208346.db2.gz YAUABYMPXFSRCZ-IAGOWNOFSA-N 1 0 383.458 3.258 20 10 GGCDRO CCN(C)c1ccc([C@H](C)[NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)cc1 ZINC000168064317 1425234476 /nfs/dbraw/zinc/23/44/76/1425234476.db2.gz QFLDNRJGRWEOAA-ZDUSSCGKSA-N 1 0 393.475 3.107 20 10 GGCDRO C[C@@H]([NH2+][C@@H]1CCN(c2ncccc2F)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000168225584 1425236718 /nfs/dbraw/zinc/23/67/18/1425236718.db2.gz HBIWEVINODNYJO-NVXWUHKLSA-N 1 0 388.462 3.126 20 10 GGCDRO O[C@](C[NH2+]Cc1ccc(N2CCOCC2)cc1)(c1ccccc1)C(F)(F)F ZINC000170790938 1425344382 /nfs/dbraw/zinc/34/43/82/1425344382.db2.gz WXDYIORBIFAOTI-LJQANCHMSA-N 1 0 380.410 3.063 20 10 GGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000171380432 1425650573 /nfs/dbraw/zinc/65/05/73/1425650573.db2.gz CLSMYTKRJPWWJS-MRXNPFEDSA-N 1 0 387.549 3.170 20 10 GGCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000171379768 1425650660 /nfs/dbraw/zinc/65/06/60/1425650660.db2.gz ZTJDQUDHWHPPRH-KRWDZBQOSA-N 1 0 399.560 3.460 20 10 GGCDRO COc1ccc(O)c([C@H](C)NC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)c1 ZINC000171720479 1425802751 /nfs/dbraw/zinc/80/27/51/1425802751.db2.gz UHEUDVUBIIELSM-INIZCTEOSA-N 1 0 398.507 3.344 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N(C)c3ccc(F)cc3)cc2F)CC1 ZINC000171751328 1425810883 /nfs/dbraw/zinc/81/08/83/1425810883.db2.gz BXOAAODBVMJJKE-UHFFFAOYSA-N 1 0 388.462 3.453 20 10 GGCDRO CC[NH+]1CCN(c2ccc(NC(=O)NCc3cc(OC)ccc3O)c(C)c2)CC1 ZINC000172019413 1425875652 /nfs/dbraw/zinc/87/56/52/1425875652.db2.gz IWFBCZKEBKYOLT-UHFFFAOYSA-N 1 0 398.507 3.173 20 10 GGCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+](Cc2cccc(O)c2)CC2CC2)cc1 ZINC000172193784 1425940941 /nfs/dbraw/zinc/94/09/41/1425940941.db2.gz ORYIYZFBTZKWIG-UHFFFAOYSA-N 1 0 381.520 3.329 20 10 GGCDRO COc1ccc(N2CC[NH+](C[C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)cc1 ZINC000172730131 1426163842 /nfs/dbraw/zinc/16/38/42/1426163842.db2.gz KTZPNZLSUZWCPG-QGZVFWFLSA-N 1 0 375.513 3.074 20 10 GGCDRO COc1ccc(N2CCC[N@H+](C[C@@H]3CN(c4ccccc4)C(=O)O3)CC2)cc1 ZINC000172757421 1426175462 /nfs/dbraw/zinc/17/54/62/1426175462.db2.gz YZCNWMSKMOIEDT-OAQYLSRUSA-N 1 0 381.476 3.233 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3cccc4cc[nH]c43)cc2F)CC1 ZINC000173114317 1426349724 /nfs/dbraw/zinc/34/97/24/1426349724.db2.gz MJNZOYMHNRSSDM-UHFFFAOYSA-N 1 0 380.467 3.379 20 10 GGCDRO COc1cccc(NC(=O)CC[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)c1 ZINC000173355057 1426530964 /nfs/dbraw/zinc/53/09/64/1426530964.db2.gz MPZNFFZJDDPEGZ-HXUWFJFHSA-N 1 0 384.476 3.411 20 10 GGCDRO COc1cccc(NC(=O)CC[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC000173355043 1426531133 /nfs/dbraw/zinc/53/11/33/1426531133.db2.gz MPZNFFZJDDPEGZ-FQEVSTJZSA-N 1 0 384.476 3.411 20 10 GGCDRO CCO[C@H](C)c1noc(CN2CC[NH+](Cc3c(O)ccc4ccccc43)CC2)n1 ZINC000173383018 1426557258 /nfs/dbraw/zinc/55/72/58/1426557258.db2.gz BHVUYBGVGAEFJQ-MRXNPFEDSA-N 1 0 396.491 3.344 20 10 GGCDRO COc1cccc(CNC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)c1O ZINC000173416941 1426599669 /nfs/dbraw/zinc/59/96/69/1426599669.db2.gz GXNFOPGVGNJJKK-OAHLLOKOSA-N 1 0 375.494 3.099 20 10 GGCDRO CC[NH+](CC)[C@@H](CNC(=O)NCc1cccc(OC)c1O)c1ccsc1 ZINC000173823580 1426860930 /nfs/dbraw/zinc/86/09/30/1426860930.db2.gz VSPVTFZTACEWQO-INIZCTEOSA-N 1 0 377.510 3.345 20 10 GGCDRO CC[NH+](CC)[C@H](CNC(=O)NCc1cccc(OC)c1O)Cc1ccccc1 ZINC000173827886 1426862263 /nfs/dbraw/zinc/86/22/63/1426862263.db2.gz BABCQSHGRSMJMN-IBGZPJMESA-N 1 0 385.508 3.153 20 10 GGCDRO CC[N@H+](Cc1cc(=O)n2ccccc2n1)Cc1cc(Br)ccc1O ZINC000173992830 1426930488 /nfs/dbraw/zinc/93/04/88/1426930488.db2.gz ALUCNHYUJHZJKR-UHFFFAOYSA-N 1 0 388.265 3.185 20 10 GGCDRO Cc1ccc(N2CC[C@@H]([NH2+][C@H](C)c3ccc(N4CCOCC4)cc3)C2=O)cc1 ZINC000174008145 1426940546 /nfs/dbraw/zinc/94/05/46/1426940546.db2.gz IIQMTMSRRNWXLI-XMSQKQJNSA-N 1 0 379.504 3.288 20 10 GGCDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2ccc(N3CCSCC3)cc2)C1 ZINC000174032817 1426955837 /nfs/dbraw/zinc/95/58/37/1426955837.db2.gz WCNSYQDXNMFNQI-IBGZPJMESA-N 1 0 390.597 3.113 20 10 GGCDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000174033047 1426956194 /nfs/dbraw/zinc/95/61/94/1426956194.db2.gz JODHPLNZWSIYSE-IBGZPJMESA-N 1 0 390.597 3.256 20 10 GGCDRO COc1cccc(CNC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)c1O ZINC000174345292 1427111896 /nfs/dbraw/zinc/11/18/96/1427111896.db2.gz HNDCWZAPVSAEBL-UHFFFAOYSA-N 1 0 383.492 3.112 20 10 GGCDRO Cc1cc(O)c(C[NH2+]CCNC(=O)c2cccc(Br)c2)cc1C ZINC000174388508 1427133329 /nfs/dbraw/zinc/13/33/29/1427133329.db2.gz ZMLMXLNFXXRADZ-UHFFFAOYSA-N 1 0 377.282 3.291 20 10 GGCDRO Cc1cc(O)c(C[NH2+]CCCC(=O)N2CCN(c3ccccc3)CC2)cc1C ZINC000174413391 1427146708 /nfs/dbraw/zinc/14/67/08/1427146708.db2.gz VSSJYYPJGJITDC-UHFFFAOYSA-N 1 0 381.520 3.228 20 10 GGCDRO CC[N@H+](Cc1cc(Br)ccc1O)[C@@H](C)C(=O)Nc1cc(C)no1 ZINC000174424568 1427150979 /nfs/dbraw/zinc/15/09/79/1427150979.db2.gz YZMROCNJKYXUAC-NSHDSACASA-N 1 0 382.258 3.300 20 10 GGCDRO CC[N@H+](Cc1cc(Br)ccc1O)[C@@H](C)C(=O)NCC(F)(F)F ZINC000174426279 1427151492 /nfs/dbraw/zinc/15/14/92/1427151492.db2.gz UUKSUCSMPVUFRC-VIFPVBQESA-N 1 0 383.208 3.044 20 10 GGCDRO CC[N@H+](Cc1cc(Br)ccc1O)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000174426527 1427151715 /nfs/dbraw/zinc/15/17/15/1427151715.db2.gz AYIOLOZWKDNNFZ-LBPRGKRZSA-N 1 0 395.219 3.140 20 10 GGCDRO COc1cccc(CNC(=O)NCC2CC[NH+](Cc3cccs3)CC2)c1O ZINC000174455635 1427163854 /nfs/dbraw/zinc/16/38/54/1427163854.db2.gz KTMCPRMPWRDQAK-UHFFFAOYSA-N 1 0 389.521 3.174 20 10 GGCDRO O=C1COc2ccccc2N1CCC[NH2+]Cc1cc(Br)ccc1O ZINC000174523293 1427202067 /nfs/dbraw/zinc/20/20/67/1427202067.db2.gz WQTGDQWURRTFQQ-UHFFFAOYSA-N 1 0 391.265 3.060 20 10 GGCDRO Cc1ccc(O)c(C[NH2+]CCc2ccc(S(=O)(=O)N3CCCCC3)s2)c1 ZINC000174601762 1427252002 /nfs/dbraw/zinc/25/20/02/1427252002.db2.gz XRJNBEXKTBRTCE-UHFFFAOYSA-N 1 0 394.562 3.269 20 10 GGCDRO C[C@@H](CNC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[N@H+](C)C1CC1 ZINC000174736241 1427339681 /nfs/dbraw/zinc/33/96/81/1427339681.db2.gz JKLAODGDYISMEW-LSDHHAIUSA-N 1 0 396.482 3.039 20 10 GGCDRO CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000174738922 1427341251 /nfs/dbraw/zinc/34/12/51/1427341251.db2.gz SDQFAVSMGRTZHT-GFCCVEGCSA-N 1 0 384.318 3.169 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N([C@@H](C)C3CC3)C3CC3)cc2F)CC1 ZINC000174786361 1427366752 /nfs/dbraw/zinc/36/67/52/1427366752.db2.gz YULORNZFEREHKM-INIZCTEOSA-N 1 0 388.531 3.440 20 10 GGCDRO C[NH+](C)CCOc1ccc(CNC(=O)NCc2c(O)ccc3c2CCCC3)cc1 ZINC000175404064 1427735827 /nfs/dbraw/zinc/73/58/27/1427735827.db2.gz OABHZAJNNPUMGZ-UHFFFAOYSA-N 1 0 397.519 3.211 20 10 GGCDRO C[NH+](C)CCOc1cccc(CNC(=O)NCc2c(O)ccc3c2CCCC3)c1 ZINC000175407096 1427737469 /nfs/dbraw/zinc/73/74/69/1427737469.db2.gz RCTFVOBIJLVJQE-UHFFFAOYSA-N 1 0 397.519 3.211 20 10 GGCDRO CC(=O)c1cc(F)cc(C[NH+]2CCC(C(=O)Nc3ccccc3O)CC2)c1O ZINC000175566789 1427817521 /nfs/dbraw/zinc/81/75/21/1427817521.db2.gz LAFBXTAGBZJPKK-UHFFFAOYSA-N 1 0 386.423 3.290 20 10 GGCDRO CCN(C[C@H]1CC[N@H+](Cc2cc(F)cc(C(C)=O)c2O)C1)CC(F)(F)F ZINC000175810658 1427903057 /nfs/dbraw/zinc/90/30/57/1427903057.db2.gz UOWCEEOLFMPCBC-CYBMUJFWSA-N 1 0 376.394 3.440 20 10 GGCDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3cccc4[nH]ccc43)CC2)cc1 ZINC000175950638 1427992313 /nfs/dbraw/zinc/99/23/13/1427992313.db2.gz BOHNTTMXJIXHET-UHFFFAOYSA-N 1 0 392.503 3.119 20 10 GGCDRO C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000180205762 1429801528 /nfs/dbraw/zinc/80/15/28/1429801528.db2.gz JTDUKGGMHZABFG-PXNSSMCTSA-N 1 0 389.540 3.258 20 10 GGCDRO C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000180205790 1429801579 /nfs/dbraw/zinc/80/15/79/1429801579.db2.gz JTDUKGGMHZABFG-FXAWDEMLSA-N 1 0 389.540 3.258 20 10 GGCDRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)/C=C/c3ccc(O)c(O)c3)cc2)C[C@H](C)O1 ZINC000180645786 1429952895 /nfs/dbraw/zinc/95/28/95/1429952895.db2.gz GGCYCLGDDDXLTR-CJVCEKSSSA-N 1 0 396.487 3.037 20 10 GGCDRO CCOc1cccc([C@H](C)[NH2+]CC(=O)N2CCN(c3ccc(OC)cc3)CC2)c1 ZINC000180681898 1429973405 /nfs/dbraw/zinc/97/34/05/1429973405.db2.gz QGVLLHWVFJBOOL-SFHVURJKSA-N 1 0 397.519 3.093 20 10 GGCDRO CCN(CC)C(=O)CCC1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000180771367 1430030438 /nfs/dbraw/zinc/03/04/38/1430030438.db2.gz DXLXVZNJSVRIKW-UHFFFAOYSA-N 1 0 387.568 3.384 20 10 GGCDRO C[C@@H]([NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccc(-n2cccn2)cc1 ZINC000180814408 1430055342 /nfs/dbraw/zinc/05/53/42/1430055342.db2.gz JLJCMMIMXQOYNT-GOSISDBHSA-N 1 0 391.519 3.248 20 10 GGCDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180833371 1430062150 /nfs/dbraw/zinc/06/21/50/1430062150.db2.gz GLDUYUQYWIYFCN-WAEYIKQSSA-N 1 0 380.488 3.482 20 10 GGCDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)C1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180866114 1430076250 /nfs/dbraw/zinc/07/62/50/1430076250.db2.gz BFGQBTKWGJSDBC-DZKQVEJQSA-N 1 0 380.488 3.384 20 10 GGCDRO COc1ccc([C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2)[NH+]2CCCC2)cc1 ZINC000180884511 1430088829 /nfs/dbraw/zinc/08/88/29/1430088829.db2.gz FKZBDTUXGPAZJM-PHRJPNOBSA-N 1 0 382.460 3.073 20 10 GGCDRO CCN(Cc1ccccc1)c1ccc(C[NH2+][C@@H](CC(N)=O)C2CCOCC2)cc1 ZINC000180916282 1430112188 /nfs/dbraw/zinc/11/21/88/1430112188.db2.gz SFPDFUVARVAKPZ-QHCPKHFHSA-N 1 0 395.547 3.473 20 10 GGCDRO COc1ccccc1[C@@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)[NH+]1CCCCC1 ZINC000180954433 1430133578 /nfs/dbraw/zinc/13/35/78/1430133578.db2.gz WLTJBDRHNNODHA-FMAYLGMYSA-N 1 0 396.487 3.463 20 10 GGCDRO C[C@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(N2CCCCCC2)cc1 ZINC000180964195 1430139350 /nfs/dbraw/zinc/13/93/50/1430139350.db2.gz LXBYECHGLDUSMQ-LAUBAEHRSA-N 1 0 381.524 3.257 20 10 GGCDRO C[C@@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(N2CCCCCC2)cc1 ZINC000180964261 1430140221 /nfs/dbraw/zinc/14/02/21/1430140221.db2.gz LXBYECHGLDUSMQ-UTKZUKDTSA-N 1 0 381.524 3.257 20 10 GGCDRO C[C@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(N2CCCCCC2)cc1 ZINC000180964237 1430140256 /nfs/dbraw/zinc/14/02/56/1430140256.db2.gz LXBYECHGLDUSMQ-UWJYYQICSA-N 1 0 381.524 3.257 20 10 GGCDRO O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000180995779 1430158137 /nfs/dbraw/zinc/15/81/37/1430158137.db2.gz JJEZLVWQHMTBRL-XBXARRHUSA-N 1 0 384.501 3.341 20 10 GGCDRO CN(C)c1ccc(CN(C)C(=O)C[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)cc1 ZINC000181179298 1430239588 /nfs/dbraw/zinc/23/95/88/1430239588.db2.gz GAELJDADZUBQLL-OFNKIYASSA-N 1 0 395.547 3.469 20 10 GGCDRO CN(C)c1ccc(CN(C)C(=O)C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)cc1 ZINC000181179257 1430239608 /nfs/dbraw/zinc/23/96/08/1430239608.db2.gz GAELJDADZUBQLL-REWPJTCUSA-N 1 0 395.547 3.469 20 10 GGCDRO Cc1cc(N2CC[C@@H]([NH2+][C@@H](C)c3ccc(N4CCCCC4)c(F)c3)C2=O)n(C)n1 ZINC000181189243 1430242896 /nfs/dbraw/zinc/24/28/96/1430242896.db2.gz QLEYRYHAXUABHH-QFBILLFUSA-N 1 0 399.514 3.314 20 10 GGCDRO COCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccc(N3CCCCC3)c(F)c1)CC2 ZINC000181297833 1430266511 /nfs/dbraw/zinc/26/65/11/1430266511.db2.gz SCOBOROGPAMZBK-NVXWUHKLSA-N 1 0 387.503 3.220 20 10 GGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)cc1OC ZINC000181467054 1430305922 /nfs/dbraw/zinc/30/59/22/1430305922.db2.gz DCERXVWIJKYCRS-CYBMUJFWSA-N 1 0 385.386 3.462 20 10 GGCDRO C[C@@H](NC(=O)/C=C/c1ccc(N2CCOCC2)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181644832 1430334182 /nfs/dbraw/zinc/33/41/82/1430334182.db2.gz MBYAMMBSYDZQMS-HJYANYFWSA-N 1 0 397.563 3.306 20 10 GGCDRO C[C@@H]([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)c1cccc(N2CCCC2)c1 ZINC000181867903 1430374513 /nfs/dbraw/zinc/37/45/13/1430374513.db2.gz WLIUFUVQYGATHI-GOSISDBHSA-N 1 0 380.536 3.320 20 10 GGCDRO Cc1ccc(C(=O)N[C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)c(O)c1O ZINC000181960144 1430388781 /nfs/dbraw/zinc/38/87/81/1430388781.db2.gz CFWBGGVSWBUYNG-KRWDZBQOSA-N 1 0 382.460 3.124 20 10 GGCDRO COc1cc(O)c(C[NH2+]CCc2nc(-c3ccc(Cl)cc3)no2)cc1OC ZINC000182186550 1430426268 /nfs/dbraw/zinc/42/62/68/1430426268.db2.gz MLQCRESLZKRVKS-UHFFFAOYSA-N 1 0 389.839 3.445 20 10 GGCDRO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3cccc(Cl)c3[O-])c2)C1 ZINC000182202938 1430429516 /nfs/dbraw/zinc/42/95/16/1430429516.db2.gz RUIYHKHIFJKRTH-SFHVURJKSA-N 1 0 387.911 3.033 20 10 GGCDRO COc1cc(O)c(C[NH2+]CCc2nc(-c3cccc(Cl)c3)no2)cc1OC ZINC000182231248 1430433970 /nfs/dbraw/zinc/43/39/70/1430433970.db2.gz HLGHEFWBOZXMKL-UHFFFAOYSA-N 1 0 389.839 3.445 20 10 GGCDRO Cc1ccc(C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)c(F)c2)c(O)c1O ZINC000182326734 1430449152 /nfs/dbraw/zinc/44/91/52/1430449152.db2.gz SIMNSBWIHMMBEX-UHFFFAOYSA-N 1 0 387.455 3.328 20 10 GGCDRO CCCCCc1nnc(NC(=O)C[NH2+][C@H](C)c2cc(OC)ccc2O)s1 ZINC000182335241 1430450246 /nfs/dbraw/zinc/45/02/46/1430450246.db2.gz WJBNNKOENMJBOS-GFCCVEGCSA-N 1 0 378.498 3.274 20 10 GGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)N(C)Cc2ccc(OC(F)F)cc2)c1 ZINC000182382114 1430456214 /nfs/dbraw/zinc/45/62/14/1430456214.db2.gz GSAREVCKWNQXNG-CYBMUJFWSA-N 1 0 394.418 3.311 20 10 GGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)NCCOc2ccc(C(C)C)cc2)c1 ZINC000182395176 1430459226 /nfs/dbraw/zinc/45/92/26/1430459226.db2.gz UKMMVVVWBBWFBC-MRXNPFEDSA-N 1 0 386.492 3.370 20 10 GGCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)Nc2c(C)nn(-c3ccccc3)c2C)c1 ZINC000182397214 1430459786 /nfs/dbraw/zinc/45/97/86/1430459786.db2.gz GYJBEPHFQRGRTJ-AWEZNQCLSA-N 1 0 394.475 3.493 20 10 GGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)NCCc2ccc(OC(F)F)cc2)c1 ZINC000182407109 1430462101 /nfs/dbraw/zinc/46/21/01/1430462101.db2.gz GTVISZAEMAGHCT-CYBMUJFWSA-N 1 0 394.418 3.012 20 10 GGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)N[C@@H](c2nccs2)c2ccccc2)c1 ZINC000182471600 1430473444 /nfs/dbraw/zinc/47/34/44/1430473444.db2.gz MKZDPYCNRXQQBL-JLTOFOAXSA-N 1 0 397.500 3.414 20 10 GGCDRO COC(=O)c1ccc(C[NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)o1 ZINC000182495178 1430477451 /nfs/dbraw/zinc/47/74/51/1430477451.db2.gz KXORTAJAXSMTDN-CYBMUJFWSA-N 1 0 380.391 3.426 20 10 GGCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@@H](C)c1cc3ccccc3o1)cc2=O ZINC000182623542 1430504366 /nfs/dbraw/zinc/50/43/66/1430504366.db2.gz DIFDIBATGXLWNI-LBPRGKRZSA-N 1 0 380.404 3.209 20 10 GGCDRO CCN(CC)c1ccc(CNC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1F ZINC000182806399 1430543571 /nfs/dbraw/zinc/54/35/71/1430543571.db2.gz WJJRYRIISZCTBL-PKOBYXMFSA-N 1 0 376.520 3.298 20 10 GGCDRO COc1ccc(O)c([C@H](C)NC(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000182880710 1430560695 /nfs/dbraw/zinc/56/06/95/1430560695.db2.gz YGHVIUAKHWXOCX-HRCADAONSA-N 1 0 375.513 3.414 20 10 GGCDRO Cc1cc(C)cc([C@H](C)[NH2+]CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000182923277 1430572703 /nfs/dbraw/zinc/57/27/03/1430572703.db2.gz LARIEBUNQKJQQI-SFHVURJKSA-N 1 0 399.510 3.246 20 10 GGCDRO CCC[N@H+](Cc1ccc(OCc2ccccc2)cc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000182952942 1430579645 /nfs/dbraw/zinc/57/96/45/1430579645.db2.gz FUVGKGHCONSDRP-LJQANCHMSA-N 1 0 389.517 3.370 20 10 GGCDRO O=C(NC1CC[NH+](Cc2ccc(OCc3ccccc3)cc2O)CC1)C1CC1 ZINC000182975038 1430583797 /nfs/dbraw/zinc/58/37/97/1430583797.db2.gz HBULYFIGLZTYQA-UHFFFAOYSA-N 1 0 380.488 3.462 20 10 GGCDRO CC[C@H](C)[C@H](C)[NH2+]CC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000183015851 1430593085 /nfs/dbraw/zinc/59/30/85/1430593085.db2.gz FWWGKHZTTJSXDJ-NXOAAHMSSA-N 1 0 379.520 3.080 20 10 GGCDRO O=C1NCCCN1C1CC[NH+](Cc2ccc(OCc3ccccc3)cc2O)CC1 ZINC000183099109 1430612247 /nfs/dbraw/zinc/61/22/47/1430612247.db2.gz VNPMQQBXNREWRG-UHFFFAOYSA-N 1 0 395.503 3.351 20 10 GGCDRO Oc1cc(OCc2ccccc2)ccc1CN1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000183111773 1430617053 /nfs/dbraw/zinc/61/70/53/1430617053.db2.gz JDYABKQVZYHKMR-FQEVSTJZSA-N 1 0 382.504 3.125 20 10 GGCDRO CC(C)(CCS(C)(=O)=O)[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000183158632 1430632926 /nfs/dbraw/zinc/63/29/26/1430632926.db2.gz MYPAHNWYRZCVMJ-UHFFFAOYSA-N 1 0 377.506 3.274 20 10 GGCDRO CC[C@@H]([NH2+]CCC(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccccc1O ZINC000183331212 1430681080 /nfs/dbraw/zinc/68/10/80/1430681080.db2.gz BUAFUBMBOWTVAC-HXUWFJFHSA-N 1 0 385.483 3.311 20 10 GGCDRO COc1ccc([C@@H](C[NH2+][C@H](C)c2ccccc2O)N2CCOCC2)cc1OC ZINC000183386815 1430697820 /nfs/dbraw/zinc/69/78/20/1430697820.db2.gz KJIKXOSDQYIMNM-VQIMIIECSA-N 1 0 386.492 3.134 20 10 GGCDRO COc1ccc(C(=O)N2CCC([NH2+][C@H](C)c3ccccc3O)CC2)cc1OC ZINC000183607852 1430753648 /nfs/dbraw/zinc/75/36/48/1430753648.db2.gz PSKAGFISAQPVPJ-OAHLLOKOSA-N 1 0 384.476 3.365 20 10 GGCDRO COc1cc(N2CC[NH+](CCOc3ccccc3C)CC2)cc(OC)c1OC ZINC000183698714 1430775812 /nfs/dbraw/zinc/77/58/12/1430775812.db2.gz ZZTOZJCEVOTRTL-UHFFFAOYSA-N 1 0 386.492 3.222 20 10 GGCDRO COc1cc(N2CC[NH+](CCOc3cccc(C)c3)CC2)cc(OC)c1OC ZINC000183700737 1430776746 /nfs/dbraw/zinc/77/67/46/1430776746.db2.gz WNMCBLDDJDIPJW-UHFFFAOYSA-N 1 0 386.492 3.222 20 10 GGCDRO COc1cc(N2CC[NH+](CCOc3cccc(F)c3)CC2)cc(OC)c1OC ZINC000183707115 1430778238 /nfs/dbraw/zinc/77/82/38/1430778238.db2.gz PECXBBQOSFWLCH-UHFFFAOYSA-N 1 0 390.455 3.053 20 10 GGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCOC2=O)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000183730715 1430782735 /nfs/dbraw/zinc/78/27/35/1430782735.db2.gz ZEBBTHQNMNLBDI-MRXNPFEDSA-N 1 0 399.466 3.470 20 10 GGCDRO COc1cccc(C[NH2+][C@@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)c1O ZINC000183811737 1430799878 /nfs/dbraw/zinc/79/98/78/1430799878.db2.gz XAJVSTLGFUGTNY-OAHLLOKOSA-N 1 0 394.393 3.310 20 10 GGCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3cc4c(cc3F)NC(=O)CC4)c2)CC1 ZINC000184261202 1430863899 /nfs/dbraw/zinc/86/38/99/1430863899.db2.gz IJGHJYHQWQPUJA-UHFFFAOYSA-N 1 0 396.466 3.105 20 10 GGCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3ccc(N4CCOC4=O)cc3)c2)CC1 ZINC000184270361 1430865486 /nfs/dbraw/zinc/86/54/86/1430865486.db2.gz SWWZZLSRBRXWCE-UHFFFAOYSA-N 1 0 394.475 3.037 20 10 GGCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3ccc(OCCOC)cc3)c2)CC1 ZINC000184275251 1430866259 /nfs/dbraw/zinc/86/62/59/1430866259.db2.gz LDTQGBQWVWNGDT-UHFFFAOYSA-N 1 0 383.492 3.106 20 10 GGCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3ccc4c(c3)OCCCO4)c2)CC1 ZINC000184285530 1430868203 /nfs/dbraw/zinc/86/82/03/1430868203.db2.gz CABHJDVDKBEENX-UHFFFAOYSA-N 1 0 381.476 3.242 20 10 GGCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3cc(OC)c(C)c(OC)c3)c2)CC1 ZINC000184285674 1430868272 /nfs/dbraw/zinc/86/82/72/1430868272.db2.gz YWFKXJNTZUDMSH-UHFFFAOYSA-N 1 0 383.492 3.406 20 10 GGCDRO CCC(=O)Nc1cccc(C(=O)Nc2cccc(N3CC[NH+](CC)CC3)c2)c1 ZINC000184285323 1430868294 /nfs/dbraw/zinc/86/82/94/1430868294.db2.gz GIFWPFDYJAEYSM-UHFFFAOYSA-N 1 0 380.492 3.429 20 10 GGCDRO CCC[N@H+](CCc1cccs1)Cc1cc(=O)n2ncc(C(=O)OCC)c2[nH]1 ZINC000184509066 1430896444 /nfs/dbraw/zinc/89/64/44/1430896444.db2.gz ZWRWZNQVYSSZEA-UHFFFAOYSA-N 1 0 388.493 3.128 20 10 GGCDRO C[C@@H](CCNC(=O)NCc1ccc(N2CCSCC2)cc1)[NH+]1CCCCC1 ZINC000184871907 1431008710 /nfs/dbraw/zinc/00/87/10/1431008710.db2.gz HKROLEVQSOKFLT-SFHVURJKSA-N 1 0 390.597 3.304 20 10 GGCDRO COc1ccc(N2CCN(CCC[NH2+][C@@H](C)c3cc(OC)ccc3O)CC2)cc1 ZINC000184900613 1431016936 /nfs/dbraw/zinc/01/69/36/1431016936.db2.gz DZKRUGVDMLLZFC-SFHVURJKSA-N 1 0 399.535 3.272 20 10 GGCDRO Cc1ccc(S(=O)(=O)N2CCC([NH2+][C@@H](C)c3cc(F)ccc3O)CC2)cc1 ZINC000184962010 1431031837 /nfs/dbraw/zinc/03/18/37/1431031837.db2.gz YVZGPCUIBSARSJ-HNNXBMFYSA-N 1 0 392.496 3.344 20 10 GGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c1 ZINC000185109374 1431062768 /nfs/dbraw/zinc/06/27/68/1431062768.db2.gz UTIBDVRZBRUUGU-ZIAGYGMSSA-N 1 0 378.494 3.063 20 10 GGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c1 ZINC000185109342 1431062793 /nfs/dbraw/zinc/06/27/93/1431062793.db2.gz UTIBDVRZBRUUGU-KGLIPLIRSA-N 1 0 378.494 3.063 20 10 GGCDRO CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+][C@H](C)c2cc(F)ccc2O)cc1 ZINC000185133677 1431069274 /nfs/dbraw/zinc/06/92/74/1431069274.db2.gz CTKXLNLIVKPZQD-CQSZACIVSA-N 1 0 380.485 3.411 20 10 GGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(S(=O)(=O)N(C)C(C)C)cc2)c1 ZINC000185133532 1431069364 /nfs/dbraw/zinc/06/93/64/1431069364.db2.gz QRMOGNVSCFWNJY-HNNXBMFYSA-N 1 0 392.521 3.281 20 10 GGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cccc(C(=O)NC[C@@H]3CCCO3)c2)c1 ZINC000185138103 1431070378 /nfs/dbraw/zinc/07/03/78/1431070378.db2.gz UTKCSDSQOUXMKR-BEFAXECRSA-N 1 0 384.476 3.160 20 10 GGCDRO CC[NH+]1CCN(c2cccc(NS(=O)(=O)c3ccc(SC)cc3)c2)CC1 ZINC000185158100 1431074338 /nfs/dbraw/zinc/07/43/38/1431074338.db2.gz IQCATDGYTOFUTH-UHFFFAOYSA-N 1 0 391.562 3.351 20 10 GGCDRO C[C@H]([NH2+]CCS(=O)(=O)NCc1ccccc1)c1cc2c(cc1O)CCCC2 ZINC000185161372 1431074726 /nfs/dbraw/zinc/07/47/26/1431074726.db2.gz ZVKCHODOABLVMH-INIZCTEOSA-N 1 0 388.533 3.041 20 10 GGCDRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2O)cc1 ZINC000185169506 1431076455 /nfs/dbraw/zinc/07/64/55/1431076455.db2.gz IFHOUGYIHMIXBM-AWEZNQCLSA-N 1 0 380.485 3.413 20 10 GGCDRO COc1cc(C[NH2+][C@@H](C)c2ccc3ccccc3c2O)ccc1OCC(N)=O ZINC000185204838 1431084686 /nfs/dbraw/zinc/08/46/86/1431084686.db2.gz FWCOFOPBMUHKSV-AWEZNQCLSA-N 1 0 380.444 3.269 20 10 GGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2CS(=O)(=O)NC(C)C)c(O)c1 ZINC000185356051 1431124503 /nfs/dbraw/zinc/12/45/03/1431124503.db2.gz HJIZVHVLXIBSQW-MRXNPFEDSA-N 1 0 376.522 3.379 20 10 GGCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2ccccc2CS(=O)(=O)NC(C)C)c1 ZINC000185355922 1431124533 /nfs/dbraw/zinc/12/45/33/1431124533.db2.gz ZWWWAAYSWSWFKA-INIZCTEOSA-N 1 0 376.522 3.379 20 10 GGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccccc2CS(=O)(=O)NC(C)C)c1 ZINC000185356003 1431124583 /nfs/dbraw/zinc/12/45/83/1431124583.db2.gz DHXZKCUXVIQYGW-OAHLLOKOSA-N 1 0 392.521 3.079 20 10 GGCDRO C[NH+](C)CC1(CNC(=O)NCc2ccc(N3CCSCC3)cc2)CCCC1 ZINC000185501685 1431158949 /nfs/dbraw/zinc/15/89/49/1431158949.db2.gz WZGRFCSHRLECJP-UHFFFAOYSA-N 1 0 390.597 3.161 20 10 GGCDRO COc1ccc(O)c(C[NH2+][C@@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)c1 ZINC000185655144 1431197228 /nfs/dbraw/zinc/19/72/28/1431197228.db2.gz NMKZXLWWBUQNLZ-OAHLLOKOSA-N 1 0 394.393 3.310 20 10 GGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCC(=O)N2CCN(c3ccccc3)CC2)c1 ZINC000186062585 1431322340 /nfs/dbraw/zinc/32/23/40/1431322340.db2.gz UGDAXQRRTPMDMX-GOSISDBHSA-N 1 0 397.519 3.180 20 10 GGCDRO C[C@H]([NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)c1ccc2ccccc2c1O ZINC000186158854 1431343946 /nfs/dbraw/zinc/34/39/46/1431343946.db2.gz YCORCPVASUSHOM-DZGCQCFKSA-N 1 0 391.514 3.092 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NCCCCCSC)cc2F)CC1 ZINC000186182996 1431348285 /nfs/dbraw/zinc/34/82/85/1431348285.db2.gz WZHYYBPRZCTMMH-UHFFFAOYSA-N 1 0 396.576 3.300 20 10 GGCDRO COc1cccc(CNC(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)c1O ZINC000186272796 1431368452 /nfs/dbraw/zinc/36/84/52/1431368452.db2.gz WTAAEMGKOUFAKM-IBGZPJMESA-N 1 0 383.492 3.111 20 10 GGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCCS3(=O)=O)c(F)c2)c(O)c1 ZINC000186704901 1431496714 /nfs/dbraw/zinc/49/67/14/1431496714.db2.gz ZKYAHFJHZHPEFL-CQSZACIVSA-N 1 0 378.469 3.230 20 10 GGCDRO C[C@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)c(F)c1)c1ccc(N(C)C)cc1 ZINC000186715503 1431499732 /nfs/dbraw/zinc/49/97/32/1431499732.db2.gz WXMYYJGDPBCMPM-HNNXBMFYSA-N 1 0 391.512 3.282 20 10 GGCDRO CN1c2ccc(C[N@H+](C)Cc3ccc(N4CCOCC4)cc3)cc2CCC1=O ZINC000186848542 1431539044 /nfs/dbraw/zinc/53/90/44/1431539044.db2.gz FAYDJFHCPOPTRP-UHFFFAOYSA-N 1 0 379.504 3.064 20 10 GGCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH+]1CCC(c3ccsc3)CC1)cc2=O ZINC000186928086 1431568627 /nfs/dbraw/zinc/56/86/27/1431568627.db2.gz OMIFJCGQPXSESG-UHFFFAOYSA-N 1 0 386.477 3.053 20 10 GGCDRO N#Cc1c(F)cccc1C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000187100719 1431615791 /nfs/dbraw/zinc/61/57/91/1431615791.db2.gz GWDXOFDTGHWMFV-UHFFFAOYSA-N 1 0 378.451 3.482 20 10 GGCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3ccccc3[S@](=O)CC)c2)CC1 ZINC000187399840 1431719690 /nfs/dbraw/zinc/71/96/90/1431719690.db2.gz UXVYXYMWXFPKCC-HHHXNRCGSA-N 1 0 385.533 3.208 20 10 GGCDRO FC(F)(F)COc1ccc(CC[NH2+]Cc2ccc(N3CCOCC3)cc2)cn1 ZINC000187571035 1431770275 /nfs/dbraw/zinc/77/02/75/1431770275.db2.gz QROWFCKARAGPQB-UHFFFAOYSA-N 1 0 395.425 3.192 20 10 GGCDRO O=C(CC[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1)N1CCc2ccccc2C1 ZINC000189106419 1432046348 /nfs/dbraw/zinc/04/63/48/1432046348.db2.gz AYDPCZIMFLNAMU-JOCHJYFZSA-N 1 0 394.515 3.348 20 10 GGCDRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)cc1 ZINC000189422735 1432105822 /nfs/dbraw/zinc/10/58/22/1432105822.db2.gz DHFRAFSQCJAPET-UHFFFAOYSA-N 1 0 396.535 3.192 20 10 GGCDRO COc1ccc(O)c(C[N@H+](C)[C@H](C)c2cccc(N3CCCS3(=O)=O)c2)c1 ZINC000189982417 1432298092 /nfs/dbraw/zinc/29/80/92/1432298092.db2.gz JZIFBNNQTATSLI-OAHLLOKOSA-N 1 0 390.505 3.134 20 10 GGCDRO CC(C)(C)OC(=O)N1CCC(C)([NH2+]Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000189999815 1432302001 /nfs/dbraw/zinc/30/20/01/1432302001.db2.gz CPFRNCZQSDKOSL-UHFFFAOYSA-N 1 0 389.540 3.402 20 10 GGCDRO CCN(C)c1ccc(/C=C2/SC(=S)N(CC(C)(C)C[NH+](C)C)C2=O)cn1 ZINC000190402635 1432374446 /nfs/dbraw/zinc/37/44/46/1432374446.db2.gz ULUKZXFZOPIZHN-XNTDXEJSSA-N 1 0 392.594 3.327 20 10 GGCDRO CC(C)(C)n1cc(C[NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)nn1 ZINC000191228974 1432597368 /nfs/dbraw/zinc/59/73/68/1432597368.db2.gz XLEPKCCVUGYWRV-AWEZNQCLSA-N 1 0 379.455 3.393 20 10 GGCDRO CCOC(=O)[C@](C)(C[NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000191632165 1432696545 /nfs/dbraw/zinc/69/65/45/1432696545.db2.gz KPHLZQOCEXIHDP-HSZRJFAPSA-N 1 0 382.504 3.134 20 10 GGCDRO CN(C)c1ccc(C[N@@H+]2CCCN(c3nnc(C(F)(F)F)s3)CC2)cc1 ZINC000191686090 1432705881 /nfs/dbraw/zinc/70/58/81/1432705881.db2.gz QVBPMMPJKFRFAV-UHFFFAOYSA-N 1 0 385.459 3.335 20 10 GGCDRO COc1cc(Cl)cc(C[NH2+]C[C@H]2CN(Cc3ccccc3)CCCO2)c1O ZINC000192027227 1432781775 /nfs/dbraw/zinc/78/17/75/1432781775.db2.gz AVICVEWQLICZFL-IBGZPJMESA-N 1 0 390.911 3.435 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CCS[C@@H](C)CC3)cc2F)CC1 ZINC000192427487 1432843987 /nfs/dbraw/zinc/84/39/87/1432843987.db2.gz GYBOKMMFNVKYSZ-INIZCTEOSA-N 1 0 394.560 3.005 20 10 GGCDRO O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1CC[NH+](C2CC2)CC1 ZINC000192632891 1432868887 /nfs/dbraw/zinc/86/88/87/1432868887.db2.gz JAVSIYDYTYBGPZ-INIZCTEOSA-N 1 0 393.478 3.247 20 10 GGCDRO O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1CC[NH+](C2CC2)CC1 ZINC000192632908 1432868899 /nfs/dbraw/zinc/86/88/99/1432868899.db2.gz JAVSIYDYTYBGPZ-MRXNPFEDSA-N 1 0 393.478 3.247 20 10 GGCDRO CN(C)c1ccc(CNC(=O)C[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)cc1 ZINC000192751299 1432884617 /nfs/dbraw/zinc/88/46/17/1432884617.db2.gz WNWAOLYAIRLRME-KNQAVFIVSA-N 1 0 381.520 3.126 20 10 GGCDRO CCOC1CC(C[NH2+][C@@H](CC)c2ccc(N(C)C)cc2)(N2CCOCC2)C1 ZINC000193395346 1432990392 /nfs/dbraw/zinc/99/03/92/1432990392.db2.gz AKIKOUMHOWSSOY-ORFBVSJDSA-N 1 0 375.557 3.063 20 10 GGCDRO CN1CCCc2cc(CNC(=O)NC[C@@H]3CC[N@H+](Cc4ccccc4)C3)ccc21 ZINC000194116012 1433120424 /nfs/dbraw/zinc/12/04/24/1433120424.db2.gz TZGDNPFIJLWXOR-NRFANRHFSA-N 1 0 392.547 3.390 20 10 GGCDRO COc1ccc(O)c([C@@H](C)NC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000194457549 1433181452 /nfs/dbraw/zinc/18/14/52/1433181452.db2.gz SCYAGUQSTURGGZ-SJLPKXTDSA-N 1 0 383.492 3.283 20 10 GGCDRO C[NH+]1CCC(N2C(=O)/C(=C\c3cnn(Cc4ccccc4)c3)SC2=S)CC1 ZINC000194754255 1433225240 /nfs/dbraw/zinc/22/52/40/1433225240.db2.gz JCDDMDJIDQDWLX-WOJGMQOQSA-N 1 0 398.557 3.227 20 10 GGCDRO Cc1cc(C(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)c(C)n1-c1cccc(C)c1 ZINC000195571499 1433340050 /nfs/dbraw/zinc/34/00/50/1433340050.db2.gz AAXCFWNFLUBJAJ-HSZRJFAPSA-N 1 0 396.579 3.404 20 10 GGCDRO CN(C)c1ccc(CNC(=O)C[NH+]2CCC(OCc3ccccc3)CC2)cc1 ZINC000198104586 1433347378 /nfs/dbraw/zinc/34/73/78/1433347378.db2.gz VQURFUVQGFTKSR-UHFFFAOYSA-N 1 0 381.520 3.050 20 10 GGCDRO Oc1ccccc1C[N@H+](C[C@@H](O)COCc1cccs1)C[C@@H]1CCCO1 ZINC000216396821 1433363667 /nfs/dbraw/zinc/36/36/67/1433363667.db2.gz GXLNZEBQNAHWHR-MSOLQXFVSA-N 1 0 377.506 3.012 20 10 GGCDRO CC(=O)N1CCN(CC[NH2+]Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)CC1 ZINC000236577856 1433374239 /nfs/dbraw/zinc/37/42/39/1433374239.db2.gz HPDIJHMOSNKACR-UHFFFAOYSA-N 1 0 389.584 3.241 20 10 GGCDRO CCCOc1ccc(C[NH2+][C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c(O)c1 ZINC000236842479 1433380602 /nfs/dbraw/zinc/38/06/02/1433380602.db2.gz XGZLXESHCKOBAV-OAHLLOKOSA-N 1 0 392.521 3.282 20 10 GGCDRO CCOc1cccc(C[NH2+]Cc2ccc(S(=O)(=O)N(C)C(C)C)cc2)c1O ZINC000236949677 1433383773 /nfs/dbraw/zinc/38/37/73/1433383773.db2.gz ZYKLZONOQKZXLW-UHFFFAOYSA-N 1 0 392.521 3.110 20 10 GGCDRO CCOc1ccc(O)c(C[NH2+]Cc2ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC000237079323 1433388248 /nfs/dbraw/zinc/38/82/48/1433388248.db2.gz SIAIGJSICDJKJD-CALCHBBNSA-N 1 0 398.503 3.330 20 10 GGCDRO COc1ccc(N2CCC([NH2+]Cc3cc(OC)c(OC)c(OC)c3)CC2)cc1 ZINC000237260679 1433394718 /nfs/dbraw/zinc/39/47/18/1433394718.db2.gz ZCQRVLDINXXMHW-UHFFFAOYSA-N 1 0 386.492 3.480 20 10 GGCDRO COc1ccc(N2CCN(CCC[NH2+]Cc3cc(F)ccc3F)CC2)cc1 ZINC000237271233 1433395163 /nfs/dbraw/zinc/39/51/63/1433395163.db2.gz UNPPSHNAXJMYPQ-UHFFFAOYSA-N 1 0 375.463 3.275 20 10 GGCDRO C[C@H](CC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000237385708 1433400134 /nfs/dbraw/zinc/40/01/34/1433400134.db2.gz LXXDNAWRIKBFEY-BRWVUGGUSA-N 1 0 395.494 3.399 20 10 GGCDRO C[C@H](CC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1CC[NH2+]CC1 ZINC000237408721 1433401409 /nfs/dbraw/zinc/40/14/09/1433401409.db2.gz MVEFIUYCXOTVNK-WBVHZDCISA-N 1 0 395.494 3.399 20 10 GGCDRO COc1ccc(N2CCC(NC(=O)C3(c4ccccc4)CC[NH2+]CC3)CC2)cc1 ZINC000237570832 1433410132 /nfs/dbraw/zinc/41/01/32/1433410132.db2.gz IGLJHYXLYPRBAI-UHFFFAOYSA-N 1 0 393.531 3.102 20 10 GGCDRO Cc1cc(C(=O)N2CCC([NH3+])CC2)c(C)n1-c1ccccc1Br ZINC000237678807 1433416622 /nfs/dbraw/zinc/41/66/22/1433416622.db2.gz ZLVCUYVHNZDXSL-UHFFFAOYSA-N 1 0 376.298 3.420 20 10 GGCDRO Cc1ccc(S(=O)(=O)N2CCC([NH2+]Cc3cc(C)c(C)cc3O)CC2)cc1 ZINC000237831771 1433427608 /nfs/dbraw/zinc/42/76/08/1433427608.db2.gz SGDMKERNPVMSFG-UHFFFAOYSA-N 1 0 388.533 3.260 20 10 GGCDRO Nc1ccc(CC(=O)NC2CC[NH+](CCOc3ccc(Cl)cc3)CC2)cc1 ZINC000237897563 1433432397 /nfs/dbraw/zinc/43/23/97/1433432397.db2.gz VAOJWQSKJMRRTH-UHFFFAOYSA-N 1 0 387.911 3.124 20 10 GGCDRO CCN(Cc1ccccc1)c1ccc(CN2CCO[C@@H](CNC(C)=O)C2)cc1 ZINC000245746819 1433510506 /nfs/dbraw/zinc/51/05/06/1433510506.db2.gz MWYQYSSKEBUTDN-QHCPKHFHSA-N 1 0 381.520 3.050 20 10 GGCDRO COc1ccc(N2CCCN(CN3C[C@@H](c4cccc(F)c4)CC3=O)CC2)cc1 ZINC000246036664 1433560252 /nfs/dbraw/zinc/56/02/52/1433560252.db2.gz VVUBRKWIHMMGBV-IBGZPJMESA-N 1 0 397.494 3.320 20 10 GGCDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)cc1 ZINC000246576981 1433633688 /nfs/dbraw/zinc/63/36/88/1433633688.db2.gz LRWKRPSMQVANEH-FCHUYYIVSA-N 1 0 399.510 3.096 20 10 GGCDRO COc1cccc(CNC(=O)N[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1O ZINC000246615214 1433639940 /nfs/dbraw/zinc/63/99/40/1433639940.db2.gz VIWVKJPQYADVBV-LFUKPOHLSA-N 1 0 397.519 3.357 20 10 GGCDRO C[C@@H]1CN(c2ccc(CNC(=O)C[NH2+][C@H]3CCCC3(C)C)cc2F)C[C@H](C)O1 ZINC000249076716 1433834011 /nfs/dbraw/zinc/83/40/11/1433834011.db2.gz RDGJJKGXLJVJFF-YRNRMSPPSA-N 1 0 391.531 3.224 20 10 GGCDRO Cc1cc(C(=O)NC2CC[NH2+]CC2)c(C)n1-c1cccc(Br)c1 ZINC000262502657 1433941694 /nfs/dbraw/zinc/94/16/94/1433941694.db2.gz IGALOBIVIKIRBQ-UHFFFAOYSA-N 1 0 376.298 3.338 20 10 GGCDRO C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000263663657 1434017052 /nfs/dbraw/zinc/01/70/52/1434017052.db2.gz BKQCIINTYQPNMT-HNNXBMFYSA-N 1 0 397.475 3.228 20 10 GGCDRO CC[N@H+](C)[C@@H](C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccccc1 ZINC000264027601 1434063779 /nfs/dbraw/zinc/06/37/79/1434063779.db2.gz LPKYVAHLQRGAAU-JOCHJYFZSA-N 1 0 399.510 3.096 20 10 GGCDRO CCOCc1cc(C[NH2+]Cc2ccnc(OC3CCOCC3)c2)ccc1OC ZINC000264967391 1434168924 /nfs/dbraw/zinc/16/89/24/1434168924.db2.gz QDAROEUVVBVAQJ-UHFFFAOYSA-N 1 0 386.492 3.474 20 10 GGCDRO CCCN(Cc1ccccc1O)C(=O)N[C@H]1CC[N@H+](CCCOCC)C[C@@H]1C ZINC000265225016 1434202506 /nfs/dbraw/zinc/20/25/06/1434202506.db2.gz MBLQETHOKYPFSC-ICSRJNTNSA-N 1 0 391.556 3.451 20 10 GGCDRO COc1ccc(C[NH2+]C2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1C ZINC000265432504 1434233756 /nfs/dbraw/zinc/23/37/56/1434233756.db2.gz SCOOQXYORBZVQM-UHFFFAOYSA-N 1 0 388.533 3.088 20 10 GGCDRO CCOCc1cc(C[NH2+][C@@H](Cc2c[nH]c3ccccc23)C(=O)NC)ccc1OC ZINC000266140830 1434306402 /nfs/dbraw/zinc/30/64/02/1434306402.db2.gz GZCANNNEBDQIKO-NRFANRHFSA-N 1 0 395.503 3.160 20 10 GGCDRO COc1ccc([C@H](CNC(=O)NCc2cccc(OC)c2O)[NH+]2CCCC2)cc1 ZINC000266280871 1434315891 /nfs/dbraw/zinc/31/58/91/1434315891.db2.gz GJYGOHMXXXABLT-IBGZPJMESA-N 1 0 399.491 3.046 20 10 GGCDRO C[C@@H]([NH2+]Cc1cccc(C(=O)NC2CC2)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000268803456 1434559083 /nfs/dbraw/zinc/55/90/83/1434559083.db2.gz GWZFJSDSUNMFPN-MRXNPFEDSA-N 1 0 397.494 3.405 20 10 GGCDRO CC[C@H]([NH2+]Cc1ccc(C(=O)N2CCN(C)CC2)cc1)c1ccc(N(C)C)cc1 ZINC000268838708 1434562866 /nfs/dbraw/zinc/56/28/66/1434562866.db2.gz TWBYFDWZXDPXLP-QHCPKHFHSA-N 1 0 394.563 3.381 20 10 GGCDRO CN(C)c1ccc(/N=N/c2ccccc2C(=O)NC[C@H]2C[N@H+](C)CCN2C)cc1 ZINC000269385710 1434635694 /nfs/dbraw/zinc/63/56/94/1434635694.db2.gz AAHYXXDWHPOHHD-ZFZZVZNFSA-N 1 0 394.523 3.144 20 10 GGCDRO CN(C)c1ccc(/N=N/c2ccccc2C(=O)NC[C@@H]2C[N@H+](C)CCN2C)cc1 ZINC000269385709 1434635706 /nfs/dbraw/zinc/63/57/06/1434635706.db2.gz AAHYXXDWHPOHHD-WWDJGNSZSA-N 1 0 394.523 3.144 20 10 GGCDRO CCC[N@H+](CC(=O)Nc1ccccc1OC)Cc1cc(OC)c(OC)cc1O ZINC000271787419 1434850648 /nfs/dbraw/zinc/85/06/48/1434850648.db2.gz IGXTYVYKWCIFSN-UHFFFAOYSA-N 1 0 388.464 3.269 20 10 GGCDRO OC1CCN(c2ccc(C[NH2+]C3CCN(c4nccs4)CC3)cc2F)CC1 ZINC000272631061 1434917665 /nfs/dbraw/zinc/91/76/65/1434917665.db2.gz ALTKRMBXBGLLQK-UHFFFAOYSA-N 1 0 390.528 3.002 20 10 GGCDRO CC[C@H]1C[C@@H](CC(=O)NCc2ccc(N3CC[NH+](CC)CC3)c(F)c2)CCO1 ZINC000272689147 1434922835 /nfs/dbraw/zinc/92/28/35/1434922835.db2.gz CYLPINWTCMRNIG-HKUYNNGSSA-N 1 0 391.531 3.179 20 10 GGCDRO OCC1CCN(c2ccc(C[NH2+]C3CCN(CCC(F)(F)F)CC3)cc2)CC1 ZINC000272719417 1434925778 /nfs/dbraw/zinc/92/57/78/1434925778.db2.gz MNEOQRNHQQJQHZ-UHFFFAOYSA-N 1 0 399.501 3.402 20 10 GGCDRO COc1cc(C[NH2+][C@H](C)c2ccc(C)c(C)c2O)ccc1OCC(=O)N(C)C ZINC000273368867 1434983756 /nfs/dbraw/zinc/98/37/56/1434983756.db2.gz FQVXIXBZRQBRSO-MRXNPFEDSA-N 1 0 386.492 3.335 20 10 GGCDRO COc1cc(C[NH2+][C@@H](C)c2cc(Cl)ccc2O)ccc1OCC(=O)N(C)C ZINC000273430115 1434988218 /nfs/dbraw/zinc/98/82/18/1434988218.db2.gz VHRAQQUSGZLXEW-ZDUSSCGKSA-N 1 0 392.883 3.372 20 10 GGCDRO C[C@H]([NH2+]C[C@](O)(c1nccn1C)C(F)(F)F)c1ccc2ccccc2c1O ZINC000273462824 1434990357 /nfs/dbraw/zinc/99/03/57/1434990357.db2.gz QUQHJKGIEQSLNH-SGTLLEGYSA-N 1 0 379.382 3.380 20 10 GGCDRO C[C@H]([NH2+]C[C@@](O)(c1nccn1C)C(F)(F)F)c1ccc2ccccc2c1O ZINC000273462820 1434990360 /nfs/dbraw/zinc/99/03/60/1434990360.db2.gz QUQHJKGIEQSLNH-KPZWWZAWSA-N 1 0 379.382 3.380 20 10 GGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)c1 ZINC000273623283 1435000387 /nfs/dbraw/zinc/00/03/87/1435000387.db2.gz ZUNVUUHYBDUGHH-KBPBESRZSA-N 1 0 378.494 3.063 20 10 GGCDRO C[C@@H]1CN(c2ccc(C[NH2+]C3CCC4(CC3)OCCO4)cc2F)C[C@@H](C)O1 ZINC000274212368 1435051674 /nfs/dbraw/zinc/05/16/74/1435051674.db2.gz OALRXQBHORPZQZ-HZPDHXFCSA-N 1 0 378.488 3.215 20 10 GGCDRO COc1cc(O)c(CNc2ccc(C)c(NC(=O)CC[NH+](C)C)c2)cc1OC ZINC000274384489 1435066893 /nfs/dbraw/zinc/06/68/93/1435066893.db2.gz HEUXZNMAEIUWLV-UHFFFAOYSA-N 1 0 387.480 3.220 20 10 GGCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3ccc(OC)c(OC)c3OC)c2)CC1 ZINC000274491557 1435074576 /nfs/dbraw/zinc/07/45/76/1435074576.db2.gz RGWYQLZBCBNEKG-UHFFFAOYSA-N 1 0 399.491 3.107 20 10 GGCDRO C[NH+](C)Cc1cccc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)c1 ZINC000275810903 1435171728 /nfs/dbraw/zinc/17/17/28/1435171728.db2.gz MMQSDHQIPQEAII-UHFFFAOYSA-N 1 0 394.519 3.492 20 10 GGCDRO COc1c(O)c(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000278143484 1435363826 /nfs/dbraw/zinc/36/38/26/1435363826.db2.gz BFAXCCSHEHJKOI-INIZCTEOSA-N 1 0 388.420 3.196 20 10 GGCDRO CS(=O)(=O)C1(C[NH2+]Cc2ccc(OCc3ccccc3)cc2O)CCC1 ZINC000279669067 1435526506 /nfs/dbraw/zinc/52/65/06/1435526506.db2.gz HKPPYPSHFKLKAR-UHFFFAOYSA-N 1 0 375.490 3.028 20 10 GGCDRO CN(C)c1ccc(C[NH2+]Cc2ccc(S(C)(=O)=O)cc2)c(C(F)(F)F)c1 ZINC000279932666 1435565551 /nfs/dbraw/zinc/56/55/51/1435565551.db2.gz NDTSTFQPHDTIJR-UHFFFAOYSA-N 1 0 386.439 3.465 20 10 GGCDRO Cc1ccccc1-n1nccc1/C=C1/SC(=S)N(C2CC[NH+](C)CC2)C1=O ZINC000280879896 1435735196 /nfs/dbraw/zinc/73/51/96/1435735196.db2.gz DJHNNQTYBRAOHI-QGOAFFKASA-N 1 0 398.557 3.476 20 10 GGCDRO C[C@H]([NH2+]C[C@H]1CCn2ncc(C(N)=O)c2C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000281244064 1435800468 /nfs/dbraw/zinc/80/04/68/1435800468.db2.gz VKHIEYISJGPHRB-HOTGVXAUSA-N 1 0 399.514 3.025 20 10 GGCDRO C[C@H]([NH2+]C[C@H]1CCn2ncc(C(N)=O)c2C1)c1ccc(N2CCCCCC2)cc1 ZINC000281314061 1435803595 /nfs/dbraw/zinc/80/35/95/1435803595.db2.gz ZHXXZIGHNCAXPD-ROUUACIJSA-N 1 0 395.551 3.276 20 10 GGCDRO CCCC[N@@H+](Cc1ccccc1O)C[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000282398406 1435845804 /nfs/dbraw/zinc/84/58/04/1435845804.db2.gz HOACLCBHYDWZGW-HXUWFJFHSA-N 1 0 377.506 3.131 20 10 GGCDRO CCCC[N@@H+](Cc1ccccc1O)C[C@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000282398404 1435845813 /nfs/dbraw/zinc/84/58/13/1435845813.db2.gz HOACLCBHYDWZGW-FQEVSTJZSA-N 1 0 377.506 3.131 20 10 GGCDRO CCCC[N@H+](CC(=O)Nc1cccc(C(=O)N(C)C)c1)Cc1ccccc1O ZINC000282497300 1435849292 /nfs/dbraw/zinc/84/92/92/1435849292.db2.gz QNVYLUCURGURGJ-UHFFFAOYSA-N 1 0 383.492 3.335 20 10 GGCDRO CCCC[N@H+](CC(=O)Nc1ccc(C(=O)N(C)C)cc1)Cc1ccccc1O ZINC000282526459 1435850304 /nfs/dbraw/zinc/85/03/04/1435850304.db2.gz UKSDOGIKCFCFBS-UHFFFAOYSA-N 1 0 383.492 3.335 20 10 GGCDRO COCCCn1nccc1C[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000282595676 1435852927 /nfs/dbraw/zinc/85/29/27/1435852927.db2.gz HHNXRCZBBCSVRI-INIZCTEOSA-N 1 0 394.466 3.280 20 10 GGCDRO Cc1nn(-c2ccccn2)c(C)c1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000282784236 1435860235 /nfs/dbraw/zinc/86/02/35/1435860235.db2.gz XZJNTHGBOTYCBW-UHFFFAOYSA-N 1 0 377.492 3.011 20 10 GGCDRO CCCCN(Cc1ccccc1O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000283624734 1435898415 /nfs/dbraw/zinc/89/84/15/1435898415.db2.gz MTJJCXARJCDQML-TZIWHRDSSA-N 1 0 389.540 3.082 20 10 GGCDRO CCCCN(Cc1ccccc1O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000283692544 1435905441 /nfs/dbraw/zinc/90/54/41/1435905441.db2.gz PILLHLXMLBOQTR-GOSISDBHSA-N 1 0 389.540 3.205 20 10 GGCDRO CC[C@@H]([NH2+][C@@H]1CCC(=O)N(C2CC2)[C@H]1c1ccnn1C)c1ccc(C)cc1O ZINC000284504561 1436026833 /nfs/dbraw/zinc/02/68/33/1436026833.db2.gz AWZUANWORNRUIX-JBYIUTFZSA-N 1 0 382.508 3.370 20 10 GGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCC(=O)N(C3CC3)[C@H]2c2ccnn2C)c(O)c1C ZINC000284761546 1436047497 /nfs/dbraw/zinc/04/74/97/1436047497.db2.gz GWAOYIJVBMRRQY-FQELHTAISA-N 1 0 382.508 3.288 20 10 GGCDRO CC[N@H+](Cc1cc(OC)c(OC)cc1O)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825428960 947185815 /nfs/dbraw/zinc/18/58/15/947185815.db2.gz WSJLDOXVUDBIHW-CYBMUJFWSA-N 1 0 383.452 3.173 20 10 GGCDRO C[C@@H]1[C@@H](CC(=O)[O-])CC[C@@H]1[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC001594186121 998720789 /nfs/dbraw/zinc/72/07/89/998720789.db2.gz UIQHLKMHQQYLFD-ZNLUXHQJSA-N 1 0 385.552 3.198 20 10 GGCDRO COc1ccccc1C[C@](C)(CO)[NH2+]Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000931605254 1126137078 /nfs/dbraw/zinc/13/70/78/1126137078.db2.gz JVJTXTXYJADPJU-XMMPIXPASA-N 1 0 398.547 3.394 20 10 GGCDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@H](c3nc(C)no3)C2)c1O ZINC000091832293 564872487 /nfs/dbraw/zinc/87/24/87/564872487.db2.gz MYPWCSXYTMJSRT-NSHDSACASA-N 1 0 382.258 3.234 20 10 GGCDRO Oc1ccc(Br)cc1C[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000093133791 564884107 /nfs/dbraw/zinc/88/41/07/564884107.db2.gz RXQZUHKVURSGER-LBPRGKRZSA-N 1 0 377.286 3.072 20 10 GGCDRO COc1cc(Br)cc(C[NH2+][C@H]2CCO[C@@]3(CCSC3)C2)c1O ZINC000151376100 564916675 /nfs/dbraw/zinc/91/66/75/564916675.db2.gz WQSUJYWJMNGJLB-BBRMVZONSA-N 1 0 388.327 3.308 20 10 GGCDRO Cc1cc(Br)cc(C[NH2+][C@@H](CS(C)(=O)=O)c2ccccc2)c1O ZINC000154996531 565059013 /nfs/dbraw/zinc/05/90/13/565059013.db2.gz WJVSNJFVGRIBSX-INIZCTEOSA-N 1 0 398.322 3.339 20 10 GGCDRO Cc1cc(Br)cc(C)c1NC(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000112681361 565065376 /nfs/dbraw/zinc/06/53/76/565065376.db2.gz COJHFQDTWCWJLG-INIZCTEOSA-N 1 0 398.345 3.424 20 10 GGCDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cc(Br)ccc3O)CC2)n1 ZINC000369557352 565098674 /nfs/dbraw/zinc/09/86/74/565098674.db2.gz UYUZPYXZRRHCNE-UHFFFAOYSA-N 1 0 381.230 3.097 20 10 GGCDRO CC[C@H]([NH2+]C[C@@H]1COC2(CCOCC2)O1)c1cc(Br)ccc1O ZINC000157498717 565134116 /nfs/dbraw/zinc/13/41/16/565134116.db2.gz UPJPFBZTFYUHDX-HIFRSBDPSA-N 1 0 386.286 3.118 20 10 GGCDRO Oc1ccc(Br)cc1C[NH2+]C1CCC(O)(c2cccnc2)CC1 ZINC000185708909 565217970 /nfs/dbraw/zinc/21/79/70/565217970.db2.gz KPXHVNIWKIHUOW-UHFFFAOYSA-N 1 0 377.282 3.470 20 10 GGCDRO Cc1cc(Br)cc(C[NH2+][C@H](CO)C[C@@H](O)c2ccccc2)c1O ZINC000271869436 565270778 /nfs/dbraw/zinc/27/07/78/565270778.db2.gz XGIKGZCGAVQYFP-DLBZAZTESA-N 1 0 380.282 3.037 20 10 GGCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1cccc(Br)n1 ZINC000272424559 565287262 /nfs/dbraw/zinc/28/72/62/565287262.db2.gz OLSPXINCNAKNRI-UHFFFAOYSA-N 1 0 376.298 3.313 20 10 GGCDRO COc1cc(C[NH2+][C@@H](C)c2ccc(Br)cc2O)ccc1OCCO ZINC000273395034 565318949 /nfs/dbraw/zinc/31/89/49/565318949.db2.gz LTUZTINKGGRTOQ-LBPRGKRZSA-N 1 0 396.281 3.385 20 10 GGCDRO COc1cc(C[NH2+][C@H](C)c2cc(Br)ccc2O)ccc1OCCO ZINC000273432166 565319790 /nfs/dbraw/zinc/31/97/90/565319790.db2.gz VWMWNYXKTPOKAO-GFCCVEGCSA-N 1 0 396.281 3.385 20 10 GGCDRO C[C@H]([NH2+][C@H](CO)C[C@@H](O)c1ccccc1)c1cc(Br)ccc1O ZINC000273455232 565321007 /nfs/dbraw/zinc/32/10/07/565321007.db2.gz GYYVFBVQDIMLIW-XLWVJDPXSA-N 1 0 380.282 3.290 20 10 GGCDRO C[C@H]([NH2+][C@@H](CO)C[C@H](O)c1ccccc1)c1cc(Br)ccc1O ZINC000273455228 565321231 /nfs/dbraw/zinc/32/12/31/565321231.db2.gz GYYVFBVQDIMLIW-PNPHSEOMSA-N 1 0 380.282 3.290 20 10 GGCDRO CCOC(=O)C1([S@@](C)=O)CC[NH+]([C@@H](CC)c2cccc(Cl)c2[O-])CC1 ZINC000296556013 565323014 /nfs/dbraw/zinc/32/30/14/565323014.db2.gz RUVKMEDUXLSHPP-ODCWNRFASA-N 1 0 387.929 3.273 20 10 GGCDRO CCOC(=O)C1([S@@](C)=O)CC[NH+]([C@H](CC)c2cccc(Cl)c2[O-])CC1 ZINC000296556016 565323095 /nfs/dbraw/zinc/32/30/95/565323095.db2.gz RUVKMEDUXLSHPP-SGANQWHYSA-N 1 0 387.929 3.273 20 10 GGCDRO COCCOC1(C[NH2+][C@H](C)c2cc(Br)ccc2O)CCOCC1 ZINC000296579531 565324065 /nfs/dbraw/zinc/32/40/65/565324065.db2.gz UGDQJFTUIACEQC-CYBMUJFWSA-N 1 0 388.302 3.018 20 10 GGCDRO COCCOC1(C[NH2+][C@@H](C)c2cc(Br)ccc2O)CCOCC1 ZINC000296579532 565324337 /nfs/dbraw/zinc/32/43/37/565324337.db2.gz UGDQJFTUIACEQC-ZDUSSCGKSA-N 1 0 388.302 3.018 20 10 GGCDRO C[C@H]([NH2+][C@H](CO)C[C@H](O)c1ccccc1)c1ccc(Br)cc1O ZINC000273533171 565325004 /nfs/dbraw/zinc/32/50/04/565325004.db2.gz WTMBBOQCFNEGIA-NUTKFTJISA-N 1 0 380.282 3.290 20 10 GGCDRO Cc1cc(Br)cc([C@H](C)[NH2+]CCCCCS(C)(=O)=O)c1O ZINC000275401546 565408034 /nfs/dbraw/zinc/40/80/34/565408034.db2.gz ZXPDXYFTOONSHR-LBPRGKRZSA-N 1 0 378.332 3.329 20 10 GGCDRO CCOc1cc(/C=C2/SC(=S)N(C3CC[NH+](C)CC3)C2=O)ccc1O ZINC000299311471 565447462 /nfs/dbraw/zinc/44/74/62/565447462.db2.gz VVEOXXHFJSXNCS-LFIBNONCSA-N 1 0 378.519 3.086 20 10 GGCDRO C[C@@H]([NH2+]C1CCN(c2cccnn2)CC1)c1ccc(Br)cc1O ZINC000277154287 565479502 /nfs/dbraw/zinc/47/95/02/565479502.db2.gz QMZDWNCSMVWLRR-GFCCVEGCSA-N 1 0 377.286 3.264 20 10 GGCDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NCc2cccc(Br)c2O)C1 ZINC000277783630 565519830 /nfs/dbraw/zinc/51/98/30/565519830.db2.gz RETFRNSKDMOYTJ-ZDUSSCGKSA-N 1 0 384.318 3.074 20 10 GGCDRO Cc1cc(Br)cc(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)c1O ZINC000378440227 565527541 /nfs/dbraw/zinc/52/75/41/565527541.db2.gz AMCLPIROGLCEET-IAGOWNOFSA-N 1 0 394.313 3.285 20 10 GGCDRO CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000173965391 565603281 /nfs/dbraw/zinc/60/32/81/565603281.db2.gz PQAMLGMBJVLZOJ-ZDUSSCGKSA-N 1 0 396.329 3.171 20 10 GGCDRO Oc1ccc(F)cc1C[N@@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191685518 565620780 /nfs/dbraw/zinc/62/07/80/565620780.db2.gz QNBMXKRYEXTRND-UHFFFAOYSA-N 1 0 376.379 3.114 20 10 GGCDRO CC[C@H]([NH2+]CC1(S(C)(=O)=O)CCC1)c1cc(Br)ccc1O ZINC000280988331 565706269 /nfs/dbraw/zinc/70/62/69/565706269.db2.gz MNEMHYQSGJRAKZ-ZDUSSCGKSA-N 1 0 376.316 3.163 20 10 GGCDRO O=C(NCC1CC[NH+](Cc2cc(Br)ccc2O)CC1)C(F)(F)F ZINC000281167133 565715818 /nfs/dbraw/zinc/71/58/18/565715818.db2.gz GRNZZXACPJFEET-UHFFFAOYSA-N 1 0 395.219 3.045 20 10 GGCDRO COc1cc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])cc(Br)c1OC ZINC000237300509 565955038 /nfs/dbraw/zinc/95/50/38/565955038.db2.gz PJAWXHZHGFXGSP-UHFFFAOYSA-N 1 0 397.225 3.370 20 10 GGCDRO Cc1cc(Br)cc(C[NH+]2CCC([C@H](O)c3nccn3C)CC2)c1O ZINC000180279935 566050103 /nfs/dbraw/zinc/05/01/03/566050103.db2.gz DVSRSUBVTSOELE-KRWDZBQOSA-N 1 0 394.313 3.142 20 10 GGCDRO COc1cc(Br)c(C[NH2+]Cc2cccc(OC)c2O)c(OC)c1 ZINC000289453993 566124064 /nfs/dbraw/zinc/12/40/64/566124064.db2.gz NNVWVZQLJPMJQJ-UHFFFAOYSA-N 1 0 382.254 3.470 20 10 GGCDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@H](Cc3nccn3C)C2)c1O ZINC000182091515 566182287 /nfs/dbraw/zinc/18/22/87/566182287.db2.gz WTKQEBCTUGJJQY-CYBMUJFWSA-N 1 0 394.313 3.352 20 10 GGCDRO COc1cc(Br)cc(C[N@@H+]2CC[C@@](CO)(c3ccccc3)C2)c1O ZINC000368261770 566235159 /nfs/dbraw/zinc/23/51/59/566235159.db2.gz SSFRGFNOYQOXEM-LJQANCHMSA-N 1 0 392.293 3.299 20 10 GGCDRO C[NH+](C)CCNC(=O)c1ccc(NCc2ccc(Br)cc2O)cc1 ZINC000529643129 567538197 /nfs/dbraw/zinc/53/81/97/567538197.db2.gz JDDBJPHDDWDGCL-UHFFFAOYSA-N 1 0 392.297 3.058 20 10 GGCDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3ccccc3Cl)CC2)cc1 ZINC000011853435 570439070 /nfs/dbraw/zinc/43/90/70/570439070.db2.gz LGMPXPKYAHDNIZ-UHFFFAOYSA-N 1 0 387.911 3.291 20 10 GGCDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3ccc(C)c(C)c3)CC2)cc1 ZINC000011853439 570439156 /nfs/dbraw/zinc/43/91/56/570439156.db2.gz UOIOBHWXLCWBBB-UHFFFAOYSA-N 1 0 381.520 3.254 20 10 GGCDRO COc1ccc(N2CC[NH+](CCCNC(=O)C(C)(C)c3ccccc3)CC2)cc1 ZINC000032765306 570802927 /nfs/dbraw/zinc/80/29/27/570802927.db2.gz YVBKEDOXSLJERF-UHFFFAOYSA-N 1 0 395.547 3.301 20 10 GGCDRO C[C@@H]([NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000820413233 607087773 /nfs/dbraw/zinc/08/77/73/607087773.db2.gz PGSXJNTUBXVXTQ-HUUCEWRRSA-N 1 0 396.470 3.254 20 10 GGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)c(F)c1)c1ccc(N2CCOCC2)cc1 ZINC000824529159 609136395 /nfs/dbraw/zinc/13/63/95/609136395.db2.gz FEMODYLHIQUOSL-CABCVRRESA-N 1 0 396.470 3.254 20 10 GGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824617589 609327804 /nfs/dbraw/zinc/32/78/04/609327804.db2.gz IEXZFMUPXBTKQZ-CQSZACIVSA-N 1 0 398.511 3.410 20 10 GGCDRO COc1ccc(N2CCC[N@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000053774298 1406508466 /nfs/dbraw/zinc/50/84/66/1406508466.db2.gz MIILKSXJUAQHII-UHFFFAOYSA-N 1 0 398.463 3.144 20 10 GGCDRO CC1(C)CC(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)CC(C)(C)[NH2+]1 ZINC000053954957 1406568606 /nfs/dbraw/zinc/56/86/06/1406568606.db2.gz GZZIIPDZLVIUPK-GOSISDBHSA-N 1 0 389.540 3.392 20 10 GGCDRO C[N@H+](CCNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)Cc1ccccc1 ZINC000054763292 1406820834 /nfs/dbraw/zinc/82/08/34/1406820834.db2.gz RGKMYVGOCMFUBG-NRFANRHFSA-N 1 0 397.519 3.215 20 10 GGCDRO COc1ccc(NC(=O)NCCC[NH+]2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000004791770 1398403407 /nfs/dbraw/zinc/40/34/07/1398403407.db2.gz MONYRTUHCOJNEM-UHFFFAOYSA-N 1 0 398.507 3.038 20 10 GGCDRO C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000011193357 1398957335 /nfs/dbraw/zinc/95/73/35/1398957335.db2.gz SZBNOHBBGFDPJE-GOSISDBHSA-N 1 0 399.510 3.314 20 10 GGCDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3cc(C)ccc3C)CC2)cc1 ZINC000011853436 1399016083 /nfs/dbraw/zinc/01/60/83/1399016083.db2.gz VJYLXNQYNZUWOD-UHFFFAOYSA-N 1 0 381.520 3.254 20 10 GGCDRO CCCC[N@H+](Cc1c(O)ccc2ccc(OC)cc21)[C@@H]1CCS(=O)(=O)C1 ZINC000014261943 1399095116 /nfs/dbraw/zinc/09/51/16/1399095116.db2.gz GQDKBVATRJJZSG-MRXNPFEDSA-N 1 0 377.506 3.343 20 10 GGCDRO C[C@@H](C(=O)N1c2ccccc2C[C@H]1C)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000015571726 1399172970 /nfs/dbraw/zinc/17/29/70/1399172970.db2.gz HPKOHLRKQBULET-MOPGFXCFSA-N 1 0 393.531 3.321 20 10 GGCDRO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000016386842 1399236700 /nfs/dbraw/zinc/23/67/00/1399236700.db2.gz FHBDBDQUSQSDMR-GOSISDBHSA-N 1 0 383.540 3.486 20 10 GGCDRO CCOc1cc(C[NH2+]Cc2ccc(N(C)C)cc2)ccc1O[C@H](C)C(=O)N(C)C ZINC000017318064 1399279414 /nfs/dbraw/zinc/27/94/14/1399279414.db2.gz XPMITKHWHQEIKN-QGZVFWFLSA-N 1 0 399.535 3.297 20 10 GGCDRO CCc1ccccc1NC(=O)CN1CC[NH+](Cc2cc(C)c(C)cc2O)CC1 ZINC000020666194 1399351204 /nfs/dbraw/zinc/35/12/04/1399351204.db2.gz PCTUXXUKXKVBTN-UHFFFAOYSA-N 1 0 381.520 3.328 20 10 GGCDRO O=C(CN1CC[NH+](Cc2c(O)ccc3ccccc32)CC1)Nc1ccccc1 ZINC000023614115 1399574422 /nfs/dbraw/zinc/57/44/22/1399574422.db2.gz BVEYNJAKSMHHQO-UHFFFAOYSA-N 1 0 375.472 3.302 20 10 GGCDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3cc4ccccc4o3)CC2)cc1 ZINC000024088658 1399601373 /nfs/dbraw/zinc/60/13/73/1399601373.db2.gz WFIOKIQJIWQGQO-UHFFFAOYSA-N 1 0 393.487 3.384 20 10 GGCDRO COc1ccc(N2CC[NH+](CCCNC(=O)CCc3ccsc3)CC2)cc1 ZINC000024088872 1399601917 /nfs/dbraw/zinc/60/19/17/1399601917.db2.gz YPDMTMKTGPNVLS-UHFFFAOYSA-N 1 0 387.549 3.018 20 10 GGCDRO COc1ccc(N2CCN(C(=O)C[NH2+][C@H](c3ccccc3)C(C)C)CC2)cc1 ZINC000029197393 1400256934 /nfs/dbraw/zinc/25/69/34/1400256934.db2.gz YWTDWHGVMULAOS-QHCPKHFHSA-N 1 0 381.520 3.331 20 10 GGCDRO COc1ccc(N2CCN(C(=O)C[NH2+][C@@H](c3ccccc3)C(C)C)CC2)cc1 ZINC000029197397 1400257017 /nfs/dbraw/zinc/25/70/17/1400257017.db2.gz YWTDWHGVMULAOS-HSZRJFAPSA-N 1 0 381.520 3.331 20 10 GGCDRO COc1ccc(N2CCN(C(=O)C[NH+]3CCC(c4ccccc4)CC3)CC2)cc1 ZINC000045548506 1404145022 /nfs/dbraw/zinc/14/50/22/1404145022.db2.gz NIBKQRFXIOUXEH-UHFFFAOYSA-N 1 0 393.531 3.223 20 10 GGCDRO COc1ccc(N2CC[NH+](CCCNC(=O)N[C@H](C)c3ccccc3)CC2)cc1 ZINC000045578725 1404151401 /nfs/dbraw/zinc/15/14/01/1404151401.db2.gz RTDTVHHRQFPJKQ-LJQANCHMSA-N 1 0 396.535 3.268 20 10 GGCDRO COc1ccc(N2CC[NH+](CCCNC(=O)N[C@@H](C)c3ccccc3)CC2)cc1 ZINC000045578723 1404151607 /nfs/dbraw/zinc/15/16/07/1404151607.db2.gz RTDTVHHRQFPJKQ-IBGZPJMESA-N 1 0 396.535 3.268 20 10 GGCDRO C[C@H]1C[NH+](Cc2ccc(CNC(=O)N(C)Cc3ccccc3O)cc2)C[C@H](C)O1 ZINC000045787374 1404204487 /nfs/dbraw/zinc/20/44/87/1404204487.db2.gz FXRHVMSWKBEVCC-ROUUACIJSA-N 1 0 397.519 3.343 20 10 GGCDRO CCC[N@H+](CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)Cc1ccccc1 ZINC000051211967 1405745568 /nfs/dbraw/zinc/74/55/68/1405745568.db2.gz RZKMIUVRRQLXDE-UHFFFAOYSA-N 1 0 399.510 3.191 20 10 GGCDRO COc1ccc(N2CCC[N@@H+]([C@@H](C)C(=O)N3CCc4ccccc4C3)CC2)cc1 ZINC000052466340 1406060118 /nfs/dbraw/zinc/06/01/18/1406060118.db2.gz GTVRTUPXNQVXLO-IBGZPJMESA-N 1 0 393.531 3.181 20 10 GGCDRO COc1ccc(N2CCCN(C(=O)NCCC[NH+]3CCC(C)CC3)CC2)cc1 ZINC000056811530 1407440670 /nfs/dbraw/zinc/44/06/70/1407440670.db2.gz CPNDUWFRJACGFY-UHFFFAOYSA-N 1 0 388.556 3.039 20 10 GGCDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)NCc2ccc(N3CCCC3)cc2)o1 ZINC000056876781 1407462148 /nfs/dbraw/zinc/46/21/48/1407462148.db2.gz FVKNOIIMIKHSQC-UHFFFAOYSA-N 1 0 384.524 3.462 20 10 GGCDRO COc1ccc(N2CCCN(C(=O)NC[C@@H](C)C[NH+]3CCCCC3)CC2)cc1 ZINC000057039178 1407506580 /nfs/dbraw/zinc/50/65/80/1407506580.db2.gz GMEDNEUZVNRXBM-LJQANCHMSA-N 1 0 388.556 3.039 20 10 GGCDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)NCc2ccc(N(C)C)c(F)c2)o1 ZINC000057647091 1407676704 /nfs/dbraw/zinc/67/67/04/1407676704.db2.gz HYPWBBRRSWWQIW-UHFFFAOYSA-N 1 0 376.476 3.067 20 10 GGCDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)NCc2ccc3c(c2)CCCN3C)o1 ZINC000057661348 1407679207 /nfs/dbraw/zinc/67/92/07/1407679207.db2.gz FTFDKBCORWNCGV-UHFFFAOYSA-N 1 0 384.524 3.244 20 10 GGCDRO CN(C)c1ccc(C[NH2+]Cc2ccccc2OCC(=O)N2CCCC2)cc1F ZINC000058474974 1407834385 /nfs/dbraw/zinc/83/43/85/1407834385.db2.gz GRLPKYXXEPJQOA-UHFFFAOYSA-N 1 0 385.483 3.183 20 10 GGCDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000058514963 1407839159 /nfs/dbraw/zinc/83/91/59/1407839159.db2.gz BFUHAHPECRZGRM-UHFFFAOYSA-N 1 0 399.514 3.274 20 10 GGCDRO COc1ccc(N2CC[NH+](CCCNc3c(F)cc(C#N)cc3F)CC2)cc1 ZINC000060320119 1407952586 /nfs/dbraw/zinc/95/25/86/1407952586.db2.gz HXLWTYAFUYTKRP-UHFFFAOYSA-N 1 0 386.446 3.469 20 10 GGCDRO C[NH+]1CCC(N2C(=O)/C(=C/c3cnn(-c4ccccc4)c3)SC2=S)CC1 ZINC000063823916 1408421495 /nfs/dbraw/zinc/42/14/95/1408421495.db2.gz IJNDKCCXVLNSIK-BOPFTXTBSA-N 1 0 384.530 3.168 20 10 GGCDRO O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1cccc(C[NH+]2CCCC2)c1 ZINC000064026743 1408468974 /nfs/dbraw/zinc/46/89/74/1408468974.db2.gz KDPZOFJNAGZYEN-UHFFFAOYSA-N 1 0 397.494 3.188 20 10 GGCDRO O=C(NCc1ccc(N2CCOCC2)cc1)c1cccc(C[NH+]2CCCC2)c1 ZINC000064027744 1408469223 /nfs/dbraw/zinc/46/92/23/1408469223.db2.gz BHTFDPFUVYELON-UHFFFAOYSA-N 1 0 379.504 3.049 20 10 GGCDRO COc1ccc(C[NH2+]Cc2ccccc2S(=O)(=O)NC(C)(C)C)cc1C ZINC000065013789 1408636174 /nfs/dbraw/zinc/63/61/74/1408636174.db2.gz ONQKEJZSKLNTJI-UHFFFAOYSA-N 1 0 376.522 3.370 20 10 GGCDRO COc1ccc(N2CC[NH+](CCCNC(=O)CC(C3CC3)C3CC3)CC2)cc1 ZINC000065051298 1408639256 /nfs/dbraw/zinc/63/92/56/1408639256.db2.gz AXVRSETYHFCSSV-UHFFFAOYSA-N 1 0 385.552 3.150 20 10 GGCDRO C[C@@H](CNC(=O)NCc1ccc(N2CCSCC2)cc1)[NH+]1CCC(C)CC1 ZINC000065479520 1408676090 /nfs/dbraw/zinc/67/60/90/1408676090.db2.gz TYWOQMYFSLZGPY-SFHVURJKSA-N 1 0 390.597 3.159 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N(C)[C@H](C)C3(C)CC3)cc2F)CC1 ZINC000176501852 1428341906 /nfs/dbraw/zinc/34/19/06/1428341906.db2.gz VVCQZPJFNZFNEK-MRXNPFEDSA-N 1 0 376.520 3.298 20 10 GGCDRO C[C@@H](NC(=O)NCc1cccc(C[NH+](C)C)c1)c1ccc(N2CCOCC2)cc1 ZINC000065698441 1408714000 /nfs/dbraw/zinc/71/40/00/1408714000.db2.gz GGVDEBYLSUURCS-GOSISDBHSA-N 1 0 396.535 3.145 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N(C)[C@@H](C)C3(C)CC3)cc2F)CC1 ZINC000176501842 1428342022 /nfs/dbraw/zinc/34/20/22/1428342022.db2.gz VVCQZPJFNZFNEK-INIZCTEOSA-N 1 0 376.520 3.298 20 10 GGCDRO CCN(Cc1ccccn1)C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000176501826 1428342117 /nfs/dbraw/zinc/34/21/17/1428342117.db2.gz SMUWJNUJMJKFSZ-UHFFFAOYSA-N 1 0 399.514 3.094 20 10 GGCDRO CC(=O)Nc1ccc(/C=C2\SC(=S)N(CC(C)(C)C[NH+](C)C)C2=O)cc1 ZINC000066145139 1408784709 /nfs/dbraw/zinc/78/47/09/1408784709.db2.gz QSQWPCGJUBNPCU-YBEGLDIGSA-N 1 0 391.562 3.434 20 10 GGCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000066410385 1408832595 /nfs/dbraw/zinc/83/25/95/1408832595.db2.gz BMJLKULJWMJXKW-UHFFFAOYSA-N 1 0 393.531 3.391 20 10 GGCDRO Cc1cc(C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)c(C)n1-c1cc(C)cc(C)c1 ZINC000176535387 1428354663 /nfs/dbraw/zinc/35/46/63/1428354663.db2.gz UUHHXYFPRBPWFE-SFHVURJKSA-N 1 0 382.552 3.077 20 10 GGCDRO C[NH+](C)CCN(Cc1cccs1)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000176541996 1428357509 /nfs/dbraw/zinc/35/75/09/1428357509.db2.gz UKJGXTDBIYDFKH-UHFFFAOYSA-N 1 0 384.549 3.398 20 10 GGCDRO NC(=S)c1ccc(C(=O)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)cc1 ZINC000067474501 1409131490 /nfs/dbraw/zinc/13/14/90/1409131490.db2.gz XAJRDCCHLBKPDM-UHFFFAOYSA-N 1 0 394.544 3.105 20 10 GGCDRO C[C@@H]1CN(C(=O)c2ccc(C[NH2+]Cc3ccc4c(c3)CCO4)cc2)C[C@H](C)O1 ZINC000067979146 1409269004 /nfs/dbraw/zinc/26/90/04/1409269004.db2.gz WHJFPKYCEJGVBC-CALCHBBNSA-N 1 0 380.488 3.161 20 10 GGCDRO C[C@H]1CN(C(=O)c2ccc(C[NH2+]Cc3ccc(N(C)C)cc3)cc2)C[C@H](C)O1 ZINC000067979319 1409269074 /nfs/dbraw/zinc/26/90/74/1409269074.db2.gz AQOADROZZHLZFY-ROUUACIJSA-N 1 0 381.520 3.292 20 10 GGCDRO CC(C)[NH+](CCNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)C(C)C ZINC000068549010 1409435417 /nfs/dbraw/zinc/43/54/17/1409435417.db2.gz PNGZIRLSAHSSGP-SFHVURJKSA-N 1 0 376.545 3.002 20 10 GGCDRO CCC[N@H+](CC(=O)N1CCO[C@H](c2ccc(F)cc2)C1)Cc1ccccc1O ZINC000068973597 1409536285 /nfs/dbraw/zinc/53/62/85/1409536285.db2.gz GRVFJCIWYDZXQC-NRFANRHFSA-N 1 0 386.467 3.343 20 10 GGCDRO CN(C)c1ccc(CNC(=O)NC2CC[NH+](CCc3ccccc3)CC2)cc1F ZINC000069720749 1409682181 /nfs/dbraw/zinc/68/21/81/1409682181.db2.gz KZSDGNDODMORFO-UHFFFAOYSA-N 1 0 398.526 3.398 20 10 GGCDRO CC(C)[C@H](C)[N@@H+]1Cc2cccc(NC(=O)C(=O)NCc3ccccc3O)c2C1 ZINC000069935202 1409728869 /nfs/dbraw/zinc/72/88/69/1409728869.db2.gz WYUQRJJYECRFPQ-HNNXBMFYSA-N 1 0 381.476 3.007 20 10 GGCDRO COc1ccccc1CN(C)C(=O)C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000070976440 1409809384 /nfs/dbraw/zinc/80/93/84/1409809384.db2.gz KCENYSAXNGHSPZ-FQEVSTJZSA-N 1 0 398.503 3.040 20 10 GGCDRO C[N@H+](CC(=O)N1CCC[C@@H]2CCCC[C@@H]21)Cc1ccc(N2CCOCC2)cc1 ZINC000071004511 1409811147 /nfs/dbraw/zinc/81/11/47/1409811147.db2.gz KMGIPAPKSRIUSU-UNMCSNQZSA-N 1 0 385.552 3.136 20 10 GGCDRO COc1ccc(N2CCC(NC(=O)NCCC[N@@H+]3CCCC[C@H]3C)CC2)cc1 ZINC000072083775 1409847454 /nfs/dbraw/zinc/84/74/54/1409847454.db2.gz DDCGWNVNALRAEJ-GOSISDBHSA-N 1 0 388.556 3.228 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H](C)c3cccs3)cc2F)CC1 ZINC000078117519 1409910224 /nfs/dbraw/zinc/91/02/24/1409910224.db2.gz FHHZDJJIHIVXFA-HNNXBMFYSA-N 1 0 375.513 3.449 20 10 GGCDRO CC[NH+]1CCN(CCCNC(=O)c2cc(C)ccc2-n2c(C)ccc2C)CC1 ZINC000078583579 1409927634 /nfs/dbraw/zinc/92/76/34/1409927634.db2.gz SIFFXWUGAFHQFG-UHFFFAOYSA-N 1 0 382.552 3.160 20 10 GGCDRO COc1cccc(C[NH+]2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)c1O ZINC000091858466 1410087037 /nfs/dbraw/zinc/08/70/37/1410087037.db2.gz CPIWNZDTGMEQNQ-UHFFFAOYSA-N 1 0 375.856 3.300 20 10 GGCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000091935079 1410094692 /nfs/dbraw/zinc/09/46/92/1410094692.db2.gz JIVUDQSILYNHNH-UHFFFAOYSA-N 1 0 389.540 3.355 20 10 GGCDRO COc1ccc(N2CCC[N@H+](Cc3cn(C)nc3-c3ccncc3)CC2)cc1 ZINC000092380829 1410148686 /nfs/dbraw/zinc/14/86/86/1410148686.db2.gz OKJSRLPXQIWKSR-UHFFFAOYSA-N 1 0 377.492 3.203 20 10 GGCDRO C[N@H+](CCCOc1cccc(S(C)(=O)=O)c1)Cc1cc(Cl)ccc1O ZINC000092511953 1410164717 /nfs/dbraw/zinc/16/47/17/1410164717.db2.gz DFZKSYIWDBDCMS-UHFFFAOYSA-N 1 0 383.897 3.350 20 10 GGCDRO C[N@H+](CCCOc1ccc(S(C)(=O)=O)cc1)Cc1cc(Cl)ccc1O ZINC000092512298 1410165930 /nfs/dbraw/zinc/16/59/30/1410165930.db2.gz JBGJKJVASLODNP-UHFFFAOYSA-N 1 0 383.897 3.350 20 10 GGCDRO CCOc1cccc(C[N@@H+]2CCCN(C(=O)CCc3ccccc3)CC2)c1O ZINC000092534580 1410167505 /nfs/dbraw/zinc/16/75/05/1410167505.db2.gz USCLHTBDOGQJNY-UHFFFAOYSA-N 1 0 382.504 3.458 20 10 GGCDRO CCOc1ccc(O)c(C[N@@H+]2CCCN(C(=O)CCc3ccccc3)CC2)c1 ZINC000092534786 1410167994 /nfs/dbraw/zinc/16/79/94/1410167994.db2.gz XUKZSZUPKLUUKR-UHFFFAOYSA-N 1 0 382.504 3.458 20 10 GGCDRO CCOC(=O)c1ccc(N2CCC[N@H+](Cc3ccc(N(C)C)cc3)CC2)nc1 ZINC000092644025 1410181254 /nfs/dbraw/zinc/18/12/54/1410181254.db2.gz ASEMRLQACMYXPH-UHFFFAOYSA-N 1 0 382.508 3.037 20 10 GGCDRO CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2cc(Br)cc(OC)c2O)C1 ZINC000092707512 1410191184 /nfs/dbraw/zinc/19/11/84/1410191184.db2.gz TVPFQBWEFSEDBI-ZDUSSCGKSA-N 1 0 399.329 3.292 20 10 GGCDRO CCCC(=O)NC[C@H]1CCC[N@H+](Cc2cc(Br)cc(OC)c2O)C1 ZINC000092707513 1410192017 /nfs/dbraw/zinc/19/20/17/1410192017.db2.gz TVPFQBWEFSEDBI-CYBMUJFWSA-N 1 0 399.329 3.292 20 10 GGCDRO COc1ccc(CCC(=O)N2CCC[N@H+](Cc3ccc(N(C)C)cc3)CC2)cc1 ZINC000092709893 1410193133 /nfs/dbraw/zinc/19/31/33/1410193133.db2.gz DSRWZUWCXKSSRM-UHFFFAOYSA-N 1 0 395.547 3.428 20 10 GGCDRO CCCCNC(=O)[C@H]1CCC[N@H+](Cc2cc(Br)cc(OC)c2O)C1 ZINC000092710168 1410193974 /nfs/dbraw/zinc/19/39/74/1410193974.db2.gz VAQLPBXJCLWDTF-ZDUSSCGKSA-N 1 0 399.329 3.292 20 10 GGCDRO O=C(NC[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1)c1ccccc1 ZINC000092783988 1410199368 /nfs/dbraw/zinc/19/93/68/1410199368.db2.gz JMGPCPSXPYVKEA-OAQYLSRUSA-N 1 0 393.531 3.165 20 10 GGCDRO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000092784325 1410200465 /nfs/dbraw/zinc/20/04/65/1410200465.db2.gz QIMWTTMGMNQGPN-QHCPKHFHSA-N 1 0 393.531 3.308 20 10 GGCDRO CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000093281493 1410229562 /nfs/dbraw/zinc/22/95/62/1410229562.db2.gz NGACRSVPVNMSLF-SFHVURJKSA-N 1 0 391.531 3.037 20 10 GGCDRO CCN(C1CC[NH+](Cc2cc(-c3ccccc3)ccc2O)CC1)S(C)(=O)=O ZINC000093320629 1410233763 /nfs/dbraw/zinc/23/37/63/1410233763.db2.gz BSZWTNWMFUPNDD-UHFFFAOYSA-N 1 0 388.533 3.305 20 10 GGCDRO CN(C)C(=O)c1ccc(C[NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)[nH]1 ZINC000176798811 1428466667 /nfs/dbraw/zinc/46/66/67/1428466667.db2.gz WXGJWLZTCLTALN-OAHLLOKOSA-N 1 0 392.450 3.077 20 10 GGCDRO COc1cc(Br)cc(CN2CC[C@H](C[NH+]3CCCCC3)C2)c1O ZINC000093683432 1410259052 /nfs/dbraw/zinc/25/90/52/1410259052.db2.gz LDSCGSJPESPEHW-CQSZACIVSA-N 1 0 383.330 3.471 20 10 GGCDRO CCN(C[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1)CC(F)(F)F ZINC000093770993 1410265326 /nfs/dbraw/zinc/26/53/26/1410265326.db2.gz RTLNBQXRTUTUDB-SFHVURJKSA-N 1 0 385.474 3.229 20 10 GGCDRO COc1ccc(N2CCN(CCC[NH2+]Cc3cn(C)nc3C(C)(C)C)CC2)cc1 ZINC000093946598 1410289257 /nfs/dbraw/zinc/28/92/57/1410289257.db2.gz HGTRLVUMGHNFKE-UHFFFAOYSA-N 1 0 399.583 3.028 20 10 GGCDRO Oc1ccccc1C[N@H+](C[C@H](O)COCc1cccs1)C[C@@H]1CCCO1 ZINC000098072157 1410406178 /nfs/dbraw/zinc/40/61/78/1410406178.db2.gz GXLNZEBQNAHWHR-ROUUACIJSA-N 1 0 377.506 3.012 20 10 GGCDRO COc1ccc(-n2c(C)cc(C(=O)N3CC[NH+](C4CCOCC4)CC3)c2C)cc1 ZINC000176823684 1428486089 /nfs/dbraw/zinc/48/60/89/1428486089.db2.gz NSLGRKAMDFBDHU-UHFFFAOYSA-N 1 0 397.519 3.040 20 10 GGCDRO Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000176825034 1428486368 /nfs/dbraw/zinc/48/63/68/1428486368.db2.gz NKQPBTHYDPYRTO-UHFFFAOYSA-N 1 0 381.520 3.339 20 10 GGCDRO CC[NH+]1CCN(CCC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)CC1 ZINC000101660509 1410487860 /nfs/dbraw/zinc/48/78/60/1410487860.db2.gz HVDAZKJADPINEO-UHFFFAOYSA-N 1 0 386.584 3.099 20 10 GGCDRO COc1ccc(N2CCC([NH2+]Cc3ccc(N4CCOCC4)cc3)CC2)cc1 ZINC000102432824 1410628228 /nfs/dbraw/zinc/62/82/28/1410628228.db2.gz KBZQCZOXCPLPAU-UHFFFAOYSA-N 1 0 381.520 3.290 20 10 GGCDRO COc1ccc(N2CCC(NC(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)CC2)cc1 ZINC000102441463 1410628986 /nfs/dbraw/zinc/62/89/86/1410628986.db2.gz WXIKUWUWBBHFFY-UHFFFAOYSA-N 1 0 388.556 3.272 20 10 GGCDRO CN(C)c1ccc(CNC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)cc1F ZINC000103184964 1410835148 /nfs/dbraw/zinc/83/51/48/1410835148.db2.gz OVGXMRXXOMWXRA-FQEVSTJZSA-N 1 0 398.526 3.256 20 10 GGCDRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C ZINC000176908090 1428517955 /nfs/dbraw/zinc/51/79/55/1428517955.db2.gz LTQGSDJZZPUTGN-HXUWFJFHSA-N 1 0 387.524 3.189 20 10 GGCDRO COc1ccc(O)c([C@@H](C)NC(=O)NC[C@H](C)[N@@H+]2CCc3ccccc3C2)c1 ZINC000103508181 1410864768 /nfs/dbraw/zinc/86/47/68/1410864768.db2.gz PJBAHDOTYGCFPH-JKSUJKDBSA-N 1 0 383.492 3.208 20 10 GGCDRO COc1ccc(O)c([C@H](C)NC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000103516940 1410865749 /nfs/dbraw/zinc/86/57/49/1410865749.db2.gz XAYWBBNEUHGUGS-PKOBYXMFSA-N 1 0 397.519 3.326 20 10 GGCDRO CC[NH+](CC)[C@@H](CNC(=O)N[C@@H](C)c1cc(OC)ccc1O)c1ccco1 ZINC000103611749 1410868964 /nfs/dbraw/zinc/86/89/64/1410868964.db2.gz GWNBAIXCXXHXAQ-YOEHRIQHSA-N 1 0 375.469 3.437 20 10 GGCDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NCc2ccc(N3CCSCC3)cc2)C1 ZINC000105152343 1411035536 /nfs/dbraw/zinc/03/55/36/1411035536.db2.gz YVQZOOWANGEDAI-IBGZPJMESA-N 1 0 390.597 3.159 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N(C)CCC(F)(F)F)cc2F)CC1 ZINC000106584763 1411255877 /nfs/dbraw/zinc/25/58/77/1411255877.db2.gz JUPLRNNPAODPDI-UHFFFAOYSA-N 1 0 390.425 3.061 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N(C)[C@H](C)c3ccccn3)cc2F)CC1 ZINC000106584766 1411257479 /nfs/dbraw/zinc/25/74/79/1411257479.db2.gz KLPLCHMETDQIRS-QGZVFWFLSA-N 1 0 399.514 3.265 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N(C)C(C3CC3)C3CC3)cc2F)CC1 ZINC000106584817 1411258225 /nfs/dbraw/zinc/25/82/25/1411258225.db2.gz YCHCYZPVNKDUEP-UHFFFAOYSA-N 1 0 388.531 3.298 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H](C)c3cccc(OC)c3)cc2F)CC1 ZINC000106702246 1411279717 /nfs/dbraw/zinc/27/97/17/1411279717.db2.gz GNWUJEHUYITTGN-KRWDZBQOSA-N 1 0 399.510 3.396 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3c(F)cccc3F)cc2F)CC1 ZINC000106701934 1411280084 /nfs/dbraw/zinc/28/00/84/1411280084.db2.gz BBIIYXGJHQMLRU-UHFFFAOYSA-N 1 0 377.410 3.176 20 10 GGCDRO CCO[C@H](C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1)c1ccccc1 ZINC000106702269 1411280966 /nfs/dbraw/zinc/28/09/66/1411280966.db2.gz CTBNXBAKBMGMBZ-QFIPXVFZSA-N 1 0 399.510 3.362 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C3(c4ccccc4)CC3)cc2F)CC1 ZINC000106702880 1411281132 /nfs/dbraw/zinc/28/11/32/1411281132.db2.gz SOGMHJNWEVZPCE-UHFFFAOYSA-N 1 0 381.495 3.316 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3ccc(F)cc3F)cc2F)CC1 ZINC000106702473 1411281150 /nfs/dbraw/zinc/28/11/50/1411281150.db2.gz DDERHEFKAZJOLD-UHFFFAOYSA-N 1 0 377.410 3.176 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)CCCc3ccccn3)cc2F)CC1 ZINC000106922418 1411321022 /nfs/dbraw/zinc/32/10/22/1411321022.db2.gz XAFLTRYYHRAKJW-UHFFFAOYSA-N 1 0 384.499 3.002 20 10 GGCDRO Cc1cc(C(=O)N(CC[NH+](C)C)Cc2ccccn2)c(C)n1-c1ccccn1 ZINC000107262310 1411355622 /nfs/dbraw/zinc/35/56/22/1411355622.db2.gz BEQRTPQLRBVSSY-UHFFFAOYSA-N 1 0 377.492 3.088 20 10 GGCDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3ccc4[nH]ccc4c3)CC2)cc1 ZINC000107541101 1411386609 /nfs/dbraw/zinc/38/66/09/1411386609.db2.gz GMOCOHVPCAETTE-UHFFFAOYSA-N 1 0 392.503 3.119 20 10 GGCDRO COc1ccc(N2CCN(C(=O)C[N@H+](C)[C@@H](C)c3ccc(C)cc3)CC2)cc1 ZINC000107710798 1411400691 /nfs/dbraw/zinc/40/06/91/1411400691.db2.gz FYCFCGRQYIFLLX-IBGZPJMESA-N 1 0 381.520 3.345 20 10 GGCDRO COc1ccc(N2CCN(C(=O)C[N@H+](C)[C@H](C)c3ccc(C)cc3)CC2)cc1 ZINC000107710796 1411401057 /nfs/dbraw/zinc/40/10/57/1411401057.db2.gz FYCFCGRQYIFLLX-LJQANCHMSA-N 1 0 381.520 3.345 20 10 GGCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCC[C@@H]1c1ccc(C)cc1)cc2=O ZINC000108096634 1411438182 /nfs/dbraw/zinc/43/81/82/1411438182.db2.gz HWBMCQQGAUMMQQ-GOSISDBHSA-N 1 0 380.448 3.257 20 10 GGCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)Cc1ccc(C(C)C)cc1)cc2=O ZINC000108106578 1411438816 /nfs/dbraw/zinc/43/88/16/1411438816.db2.gz JAYDMJNGEVIMLL-UHFFFAOYSA-N 1 0 382.464 3.367 20 10 GGCDRO Nc1ccc(F)c(NC(=O)CC[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC000177064778 1428574973 /nfs/dbraw/zinc/57/49/73/1428574973.db2.gz BNFCKSNSYXAJJQ-KRWDZBQOSA-N 1 0 387.455 3.123 20 10 GGCDRO O=C(/C=C/c1ccc(N2CCOCC2)cc1)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000108676809 1411568329 /nfs/dbraw/zinc/56/83/29/1411568329.db2.gz PTBVHGRVKZKMMX-TYOLEZHBSA-N 1 0 395.503 3.083 20 10 GGCDRO Cc1cc(C(=O)NCCN2CCC([NH+](C)C)CC2)c(C)n1-c1ccccc1C ZINC000177112952 1428590930 /nfs/dbraw/zinc/59/09/30/1428590930.db2.gz MTOAHKSGYHFXRC-UHFFFAOYSA-N 1 0 382.552 3.158 20 10 GGCDRO NC(=O)c1ccc(NC(=O)CC[N@H+](Cc2ccco2)Cc2ccccc2O)cc1 ZINC000109760973 1411807825 /nfs/dbraw/zinc/80/78/25/1411807825.db2.gz JDGJVUNVZLLYIM-UHFFFAOYSA-N 1 0 393.443 3.115 20 10 GGCDRO O=C(CC[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1)N1CCc2ccccc21 ZINC000109761815 1411808372 /nfs/dbraw/zinc/80/83/72/1411808372.db2.gz QPRTVNBMOKRUTA-FQEVSTJZSA-N 1 0 380.488 3.353 20 10 GGCDRO O=C(CC[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1)N1CCc2ccccc21 ZINC000109761818 1411808426 /nfs/dbraw/zinc/80/84/26/1411808426.db2.gz QPRTVNBMOKRUTA-HXUWFJFHSA-N 1 0 380.488 3.353 20 10 GGCDRO C[C@H]1CN(c2ccc(NC(=O)C[N@H+](C)Cc3ccccc3O)cc2)C[C@H](C)O1 ZINC000109772761 1411809281 /nfs/dbraw/zinc/80/92/81/1411809281.db2.gz OQFXAVGLXNIZQX-IRXDYDNUSA-N 1 0 383.492 3.076 20 10 GGCDRO C[C@@H]1CN(c2ccc(NC(=O)C[N@H+](C)Cc3ccccc3O)cc2)C[C@H](C)O1 ZINC000109772759 1411809303 /nfs/dbraw/zinc/80/93/03/1411809303.db2.gz OQFXAVGLXNIZQX-CALCHBBNSA-N 1 0 383.492 3.076 20 10 GGCDRO CC(C)[C@H](NC(=O)C[N@H+](C)Cc1ccccc1O)c1ccc2c(c1)OCCO2 ZINC000109772855 1411809378 /nfs/dbraw/zinc/80/93/78/1411809378.db2.gz PSOSSYHUKSYCAO-QFIPXVFZSA-N 1 0 384.476 3.109 20 10 GGCDRO CC(C)[C@@H](NC(=O)C[N@H+](C)Cc1ccccc1O)c1ccc2c(c1)OCCO2 ZINC000109772858 1411809423 /nfs/dbraw/zinc/80/94/23/1411809423.db2.gz PSOSSYHUKSYCAO-JOCHJYFZSA-N 1 0 384.476 3.109 20 10 GGCDRO CN(Cc1cc(Br)cs1)C(=O)C[N@H+](C)Cc1ccccc1O ZINC000109771992 1411809498 /nfs/dbraw/zinc/80/94/98/1411809498.db2.gz QHFVGARRWCMSFA-UHFFFAOYSA-N 1 0 383.311 3.307 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)/C=C/c3cnc(C)s3)cc2F)CC1 ZINC000112246304 1412100448 /nfs/dbraw/zinc/10/04/48/1412100448.db2.gz LJJMOKKFGUPOEO-FNORWQNLSA-N 1 0 388.512 3.062 20 10 GGCDRO COc1ccc(N2CCC([NH2+][C@@H]3CCN(c4ccccc4F)C3=O)CC2)cc1 ZINC000112367082 1412136028 /nfs/dbraw/zinc/13/60/28/1412136028.db2.gz QQQLDNJSTZSUPU-HXUWFJFHSA-N 1 0 383.467 3.198 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3ccc(F)c(F)c3F)cc2F)CC1 ZINC000177201783 1428629312 /nfs/dbraw/zinc/62/93/12/1428629312.db2.gz JVZRXAARLLGOIS-UHFFFAOYSA-N 1 0 395.400 3.315 20 10 GGCDRO C[C@@H]1CN(C(=O)c2ccc(C[NH2+]Cc3ccc(N(C)C)c(F)c3)cc2)C[C@@H](C)O1 ZINC000113328401 1412293519 /nfs/dbraw/zinc/29/35/19/1412293519.db2.gz JBVGTJNVXKEECP-IAGOWNOFSA-N 1 0 399.510 3.431 20 10 GGCDRO COc1cc2c(cc1OC)CN(C(=O)CCC[NH2+]Cc1cc(C)ccc1O)CC2 ZINC000113339870 1412294981 /nfs/dbraw/zinc/29/49/81/1412294981.db2.gz XTRSMITZZABGKV-UHFFFAOYSA-N 1 0 398.503 3.173 20 10 GGCDRO CCOc1cccc(C[NH2+]CCNC(=O)c2cccc(Br)c2)c1O ZINC000113354487 1412297317 /nfs/dbraw/zinc/29/73/17/1412297317.db2.gz YRGZEZRDDPWRKJ-UHFFFAOYSA-N 1 0 393.281 3.073 20 10 GGCDRO Cc1nn(C)c(Cl)c1C[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000113359160 1412298296 /nfs/dbraw/zinc/29/82/96/1412298296.db2.gz OULHOKRFOGPUOM-OAHLLOKOSA-N 1 0 383.323 3.495 20 10 GGCDRO Cn1c(CC[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)nc2c1cccc2F ZINC000113358581 1412298403 /nfs/dbraw/zinc/29/84/03/1412298403.db2.gz OJXVLJCRKLQKMM-UHFFFAOYSA-N 1 0 386.446 3.020 20 10 GGCDRO COc1ccc(O)c(CNC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)c1 ZINC000114583421 1412466707 /nfs/dbraw/zinc/46/67/07/1412466707.db2.gz BXDLDLYRGNPXEG-INIZCTEOSA-N 1 0 375.494 3.099 20 10 GGCDRO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000114770852 1412520760 /nfs/dbraw/zinc/52/07/60/1412520760.db2.gz YRFOAEATPSWSLA-GOSISDBHSA-N 1 0 375.513 3.012 20 10 GGCDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cc(C)n(-c3ccccn3)c2C)[C@H](C)C1 ZINC000115487162 1412690275 /nfs/dbraw/zinc/69/02/75/1412690275.db2.gz JECJQXFAEIGVCU-DYESRHJHSA-N 1 0 398.551 3.356 20 10 GGCDRO Cc1cc(N(C)C)ccc1CNC(=O)NCc1ccccc1OCC[NH+](C)C ZINC000115669516 1412754346 /nfs/dbraw/zinc/75/43/46/1412754346.db2.gz IDRRWCRIVMXMCY-UHFFFAOYSA-N 1 0 384.524 3.001 20 10 GGCDRO O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000116392738 1412854094 /nfs/dbraw/zinc/85/40/94/1412854094.db2.gz SVHJABDPRVUAKE-OAQYLSRUSA-N 1 0 378.520 3.210 20 10 GGCDRO C[C@@H](NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)c1ccc(N2CCOCC2)cc1 ZINC000116424755 1412858338 /nfs/dbraw/zinc/85/83/38/1412858338.db2.gz GEPDJBAOAVQCOT-YLJYHZDGSA-N 1 0 390.572 3.250 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CSc4ccccc43)cc2F)CC1 ZINC000118224234 1413128045 /nfs/dbraw/zinc/12/80/45/1413128045.db2.gz GYWLFUVLINYWIF-SFHVURJKSA-N 1 0 399.535 3.473 20 10 GGCDRO C[C@@H](c1ccccc1)[N@H+](CCN1C(=O)NC(C)(C)C1=O)Cc1ccccc1O ZINC000119275535 1413397093 /nfs/dbraw/zinc/39/70/93/1413397093.db2.gz FTKWJPOMZLYYSK-INIZCTEOSA-N 1 0 381.476 3.286 20 10 GGCDRO CC[N@H+](CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1cc(C)c(C)cc1O ZINC000119357295 1413422388 /nfs/dbraw/zinc/42/23/88/1413422388.db2.gz DUAODWFOQPZTCI-UHFFFAOYSA-N 1 0 397.519 3.306 20 10 GGCDRO CCN(CC)c1ccc(C[N@H+](C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)cc1 ZINC000119495595 1413465969 /nfs/dbraw/zinc/46/59/69/1413465969.db2.gz MCRVTOOPQYBRTC-MRXNPFEDSA-N 1 0 375.538 3.373 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H](C)c3ccsc3)cc2F)CC1 ZINC000119847715 1413592279 /nfs/dbraw/zinc/59/22/79/1413592279.db2.gz VFNSQSVRVFOVSV-HNNXBMFYSA-N 1 0 375.513 3.449 20 10 GGCDRO CC1CCN(S(=O)(=O)Cc2ccccc2C[NH2+]Cc2ccccc2O)CC1 ZINC000119980806 1413641154 /nfs/dbraw/zinc/64/11/54/1413641154.db2.gz QPASAAQRGUOGBM-UHFFFAOYSA-N 1 0 388.533 3.244 20 10 GGCDRO CN1CCCc2cc(CNC(=O)NCc3ccccc3OCC[NH+](C)C)ccc21 ZINC000120400549 1413810061 /nfs/dbraw/zinc/81/00/61/1413810061.db2.gz MMXMPPASXRYFEL-UHFFFAOYSA-N 1 0 396.535 3.009 20 10 GGCDRO O=C(Cc1cccc(F)c1)N1CCC[N@@H+](Cc2c(O)cccc2Cl)CC1 ZINC000120417730 1413813159 /nfs/dbraw/zinc/81/31/59/1413813159.db2.gz YEPIUOZJAKOUBG-UHFFFAOYSA-N 1 0 376.859 3.462 20 10 GGCDRO CCCN(Cc1ccccc1O)C(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000120571433 1413846158 /nfs/dbraw/zinc/84/61/58/1413846158.db2.gz USAVYCXELYDXLQ-UHFFFAOYSA-N 1 0 381.520 3.192 20 10 GGCDRO COc1ccc(N2CCC([NH2+]C[C@H](c3ccccc3)N3CCOCC3)CC2)cc1 ZINC000120637970 1413862583 /nfs/dbraw/zinc/86/25/83/1413862583.db2.gz NLPXOKLXELJAKZ-XMMPIXPASA-N 1 0 395.547 3.327 20 10 GGCDRO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000120903379 1413943052 /nfs/dbraw/zinc/94/30/52/1413943052.db2.gz LHUOCGULPOZSBV-VQIMIIECSA-N 1 0 391.531 3.083 20 10 GGCDRO COc1ccc(N2CC[NH+](CCCNC(=O)N[C@H]3CCC[C@@H](C)C3)CC2)cc1 ZINC000121195106 1414040140 /nfs/dbraw/zinc/04/01/40/1414040140.db2.gz QJUIMTFUGADSFW-MOPGFXCFSA-N 1 0 388.556 3.085 20 10 GGCDRO COc1cc2c(c(C[N@H+](C)Cc3ccc(N4CCOCC4)cc3)c1)O[C@H](C)C2 ZINC000121292973 1414074528 /nfs/dbraw/zinc/07/45/28/1414074528.db2.gz JSBLQFIVBPXCSN-QGZVFWFLSA-N 1 0 382.504 3.487 20 10 GGCDRO C[N@H+](Cc1cnn(-c2ccc(F)cc2)c1)Cc1ccc(N2CCOCC2)cc1 ZINC000121326792 1414084578 /nfs/dbraw/zinc/08/45/78/1414084578.db2.gz POXXZMQWEHWPOH-UHFFFAOYSA-N 1 0 380.467 3.480 20 10 GGCDRO O=C(NCc1ccc(N2CCOCC2)cc1)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000121454142 1414130048 /nfs/dbraw/zinc/13/00/48/1414130048.db2.gz WFMRTAIUIDTPRE-HSZRJFAPSA-N 1 0 393.531 3.194 20 10 GGCDRO COc1cccc(CNC(=O)NC2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)c1O ZINC000121829470 1414271353 /nfs/dbraw/zinc/27/13/53/1414271353.db2.gz VIWVKJPQYADVBV-IRXDYDNUSA-N 1 0 397.519 3.357 20 10 GGCDRO Cc1cc(C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)c(C)n1-c1cccc(C)c1 ZINC000122014336 1414340455 /nfs/dbraw/zinc/34/04/55/1414340455.db2.gz ASVICCBRRMHNQM-SFHVURJKSA-N 1 0 382.552 3.016 20 10 GGCDRO COc1ccc(C(=O)Nc2cccc(N3CC[NH+](C(C)C)CC3)c2)cc1OC ZINC000122260636 1414404710 /nfs/dbraw/zinc/40/47/10/1414404710.db2.gz MBYWLKYGCQYLKN-UHFFFAOYSA-N 1 0 383.492 3.487 20 10 GGCDRO COc1ccc(C(=O)Nc2cccc(N3CC[NH+](C(C)C)CC3)c2)cc1[N+](=O)[O-] ZINC000122290540 1414413744 /nfs/dbraw/zinc/41/37/44/1414413744.db2.gz OCCRDVXRMORPQX-UHFFFAOYSA-N 1 0 398.463 3.386 20 10 GGCDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)c3cccc(C[S@](C)=O)c3)c2)CC1 ZINC000122305943 1414419334 /nfs/dbraw/zinc/41/93/34/1414419334.db2.gz DGDNGOZPCNRVRT-MUUNZHRXSA-N 1 0 399.560 3.348 20 10 GGCDRO COc1ccc(C(=O)Nc2cccc(N3CC[NH+](C(C)C)CC3)c2)c(OC)c1 ZINC000122492670 1414480469 /nfs/dbraw/zinc/48/04/69/1414480469.db2.gz QNMUKSBTXQOHPB-UHFFFAOYSA-N 1 0 383.492 3.487 20 10 GGCDRO O=C(NC1CC[NH+](Cc2ccc(N3CCOCC3)c(F)c2)CC1)c1ccccc1 ZINC000123062921 1414631550 /nfs/dbraw/zinc/63/15/50/1414631550.db2.gz MRWSDFHNYCWUJC-UHFFFAOYSA-N 1 0 397.494 3.057 20 10 GGCDRO CC(C)(COc1ccc(C(F)(F)F)cn1)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000123229101 1414673604 /nfs/dbraw/zinc/67/36/04/1414673604.db2.gz BOIVYVMWJCGOLF-UHFFFAOYSA-N 1 0 384.354 3.482 20 10 GGCDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)c3ccc4c(c3)ncn4C)c2)CC1 ZINC000123265947 1414682436 /nfs/dbraw/zinc/68/24/36/1414682436.db2.gz ZEIVOBRYSRFHIK-UHFFFAOYSA-N 1 0 377.492 3.356 20 10 GGCDRO Cc1cc(C(=O)Nc2cccc(N3CC[NH+](C(C)C)CC3)c2)c(N)c([N+](=O)[O-])c1 ZINC000123285429 1414687758 /nfs/dbraw/zinc/68/77/58/1414687758.db2.gz HHDVJXMDKQGKET-UHFFFAOYSA-N 1 0 397.479 3.268 20 10 GGCDRO COc1cccc(OC)c1C(=O)Nc1cccc(N2CC[NH+](C(C)C)CC2)c1 ZINC000123297705 1414690720 /nfs/dbraw/zinc/69/07/20/1414690720.db2.gz HFIKRGHPCLMZEJ-UHFFFAOYSA-N 1 0 383.492 3.487 20 10 GGCDRO Cc1c(O)ccc2c(C[NH2+][C@H](C)c3ccc(N4CCOCC4)cc3)cc(=O)oc12 ZINC000123298700 1414691266 /nfs/dbraw/zinc/69/12/66/1414691266.db2.gz NQLMDQIIWGSZMU-MRXNPFEDSA-N 1 0 394.471 3.494 20 10 GGCDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)c3ccc(-n4cnnc4)cc3)c2)CC1 ZINC000123306860 1414693260 /nfs/dbraw/zinc/69/32/60/1414693260.db2.gz OOISAWJKDCKIFI-UHFFFAOYSA-N 1 0 390.491 3.050 20 10 GGCDRO COc1ccc2c(C[NH2+][C@@H](C)c3ccc(N4CCOCC4)cc3)cc(=O)oc2c1 ZINC000123316724 1414695238 /nfs/dbraw/zinc/69/52/38/1414695238.db2.gz NHVHYCRLGOPBIF-INIZCTEOSA-N 1 0 394.471 3.489 20 10 GGCDRO COc1cccc(CN(C)C(=O)C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)c1 ZINC000123495990 1414751937 /nfs/dbraw/zinc/75/19/37/1414751937.db2.gz DJLXALJQZJRBDG-OAQYLSRUSA-N 1 0 398.503 3.040 20 10 GGCDRO CN(Cc1ccc(F)cc1)C(=O)C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000123497666 1414752581 /nfs/dbraw/zinc/75/25/81/1414752581.db2.gz LZUVHHVHNKAHAF-HXUWFJFHSA-N 1 0 386.467 3.171 20 10 GGCDRO COc1ccc(N2CC[NH+](CCC(=O)Nc3ccccc3F)CC2)cc1F ZINC000177710525 1428840137 /nfs/dbraw/zinc/84/01/37/1428840137.db2.gz SDLUFLNSKPMOEL-UHFFFAOYSA-N 1 0 375.419 3.124 20 10 GGCDRO C[C@H]([NH2+][C@@H](CO)Cc1c[nH]c2ccccc12)c1ccc(N2CCOCC2)c(F)c1 ZINC000124141515 1414893866 /nfs/dbraw/zinc/89/38/66/1414893866.db2.gz VEZTXEHWMDUBHX-QFBILLFUSA-N 1 0 397.494 3.398 20 10 GGCDRO C[C@H]([NH2+][C@H](CO)Cc1c[nH]c2ccccc12)c1ccc(N2CCOCC2)c(F)c1 ZINC000124141072 1414893974 /nfs/dbraw/zinc/89/39/74/1414893974.db2.gz VEZTXEHWMDUBHX-LPHOPBHVSA-N 1 0 397.494 3.398 20 10 GGCDRO Cc1cc(C(=O)CN2CC[NH+](C3CCOCC3)CC2)c(C)n1-c1cccc(C)c1 ZINC000177751249 1428850135 /nfs/dbraw/zinc/85/01/35/1428850135.db2.gz NQOXUPKVEXUKBR-UHFFFAOYSA-N 1 0 395.547 3.382 20 10 GGCDRO C[C@H]([NH2+]Cc1ccc(Cn2cncn2)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000177772723 1428855220 /nfs/dbraw/zinc/85/52/20/1428855220.db2.gz AAUVPGSBWGVNJD-KRWDZBQOSA-N 1 0 395.482 3.153 20 10 GGCDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000124708388 1415026900 /nfs/dbraw/zinc/02/69/00/1415026900.db2.gz GSQYIKPTCIJWAT-CVDCTZTESA-N 1 0 390.531 3.383 20 10 GGCDRO C[C@H]([NH2+]CCCS(=O)(=O)c1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000177810549 1428862625 /nfs/dbraw/zinc/86/26/25/1428862625.db2.gz QKTDVDFVPGMZKV-SFHVURJKSA-N 1 0 388.533 3.038 20 10 GGCDRO CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000125208522 1415130789 /nfs/dbraw/zinc/13/07/89/1415130789.db2.gz GQTSWSNHNOTDKK-QGZVFWFLSA-N 1 0 389.565 3.431 20 10 GGCDRO CCn1c(C)cc(C(=O)NCCC[NH+]2CCN(c3ccc(OC)cc3)CC2)c1C ZINC000125212411 1415131544 /nfs/dbraw/zinc/13/15/44/1415131544.db2.gz GORWRQMSHBDTQA-UHFFFAOYSA-N 1 0 398.551 3.076 20 10 GGCDRO CCOC(=O)N[C@H](C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)CC(C)C ZINC000125549156 1415224335 /nfs/dbraw/zinc/22/43/35/1415224335.db2.gz WCLAPNTWGPSGHN-WMZOPIPTSA-N 1 0 395.519 3.474 20 10 GGCDRO CCOC(=O)N1CCC([NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2Cl)CC1 ZINC000125662739 1415248972 /nfs/dbraw/zinc/24/89/72/1415248972.db2.gz OUMYKDDGSNKCHV-HNNXBMFYSA-N 1 0 395.931 3.448 20 10 GGCDRO CCNC(=O)c1cccc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)c1 ZINC000177884919 1428883014 /nfs/dbraw/zinc/88/30/14/1428883014.db2.gz DWADULFKDUBAIV-MRXNPFEDSA-N 1 0 385.483 3.263 20 10 GGCDRO C[C@H]([NH2+]CC(=O)N1CCCc2ccccc21)c1ccc(N2CCOCC2)cc1 ZINC000177981287 1428913866 /nfs/dbraw/zinc/91/38/66/1428913866.db2.gz AYILIWQXLITHNR-SFHVURJKSA-N 1 0 379.504 3.153 20 10 GGCDRO NC(=O)C1CC[NH+](CCc2ccc(NCc3cc(Cl)ccc3O)cc2)CC1 ZINC000126558417 1415490232 /nfs/dbraw/zinc/49/02/32/1415490232.db2.gz ZZWNOILZADUOAM-UHFFFAOYSA-N 1 0 387.911 3.398 20 10 GGCDRO C[N@H+](CCC(=O)Nc1ccc(C(N)=O)cc1)Cc1ccc(N2CCCCC2)cc1 ZINC000126633362 1415512130 /nfs/dbraw/zinc/51/21/30/1415512130.db2.gz RPSBWMPRJJANOT-UHFFFAOYSA-N 1 0 394.519 3.236 20 10 GGCDRO COc1ccccc1[C@H](CNC(=O)N(C)Cc1ccccc1O)[NH+]1CCCC1 ZINC000126763078 1415551924 /nfs/dbraw/zinc/55/19/24/1415551924.db2.gz DSEHPZSLUJZCOD-IBGZPJMESA-N 1 0 383.492 3.379 20 10 GGCDRO CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000126992689 1415629234 /nfs/dbraw/zinc/62/92/34/1415629234.db2.gz WHNZSHPQNXHESI-HXUWFJFHSA-N 1 0 389.540 3.355 20 10 GGCDRO Cc1cc(C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)c(C)n1-c1ccccc1C ZINC000178086194 1428976080 /nfs/dbraw/zinc/97/60/80/1428976080.db2.gz ODPOOCBJCSXPTI-FQEVSTJZSA-N 1 0 381.520 3.197 20 10 GGCDRO CCS(=O)(=O)N(C)CCC[NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000178073383 1428969904 /nfs/dbraw/zinc/96/99/04/1428969904.db2.gz OSMILCNWJDHFAW-GOSISDBHSA-N 1 0 381.586 3.389 20 10 GGCDRO Cc1ccc(F)cc1NC(=O)[C@H](C)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000127218996 1415690863 /nfs/dbraw/zinc/69/08/63/1415690863.db2.gz LLYFCAMSCUWIQL-KRWDZBQOSA-N 1 0 385.483 3.430 20 10 GGCDRO Cc1ccccc1CCNC(=O)[C@H](C)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000127220478 1415691919 /nfs/dbraw/zinc/69/19/19/1415691919.db2.gz HXOMMEIDBHQRNT-FQEVSTJZSA-N 1 0 395.547 3.011 20 10 GGCDRO Cc1ccccc1CN(C)C(=O)[C@@H](C)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000127221159 1415692557 /nfs/dbraw/zinc/69/25/57/1415692557.db2.gz IJPIUJXPBGXFOE-HXUWFJFHSA-N 1 0 395.547 3.311 20 10 GGCDRO COc1ccc(O)c(C[NH2+][C@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)c1 ZINC000127287369 1415720527 /nfs/dbraw/zinc/72/05/27/1415720527.db2.gz CKFORHDKUBHARJ-WOJBJXKFSA-N 1 0 376.884 3.216 20 10 GGCDRO O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000178135799 1428994274 /nfs/dbraw/zinc/99/42/74/1428994274.db2.gz FRRRKXMKHSBJMN-OAQYLSRUSA-N 1 0 399.579 3.166 20 10 GGCDRO C[C@H](CNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)C[NH+]1CCCCC1 ZINC000127457780 1415786424 /nfs/dbraw/zinc/78/64/24/1415786424.db2.gz QTIKOZXUINGCBS-UYAOXDASSA-N 1 0 389.540 3.205 20 10 GGCDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)c1C#N ZINC000128165459 1415929575 /nfs/dbraw/zinc/92/95/75/1415929575.db2.gz VAGROVBFHHDUOK-UHFFFAOYSA-N 1 0 376.464 3.093 20 10 GGCDRO CCN(CC)C(=O)CN1CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000129220310 1416173207 /nfs/dbraw/zinc/17/32/07/1416173207.db2.gz MVSPRQQEMOUMJH-UHFFFAOYSA-N 1 0 386.584 3.053 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3c(C)noc3C3CC3)cc2F)CC1 ZINC000129501171 1416219217 /nfs/dbraw/zinc/21/92/17/1416219217.db2.gz GPROSUOSMVMQMZ-UHFFFAOYSA-N 1 0 386.471 3.071 20 10 GGCDRO O=S(=O)(NC1CC[NH+](Cc2c(O)cccc2Cl)CC1)c1ccc(F)cc1 ZINC000129795135 1416264744 /nfs/dbraw/zinc/26/47/44/1416264744.db2.gz KAXIQVOUJHKAMB-UHFFFAOYSA-N 1 0 398.887 3.128 20 10 GGCDRO O=C(CC1(O)CCCCC1)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000129951190 1416289936 /nfs/dbraw/zinc/28/99/36/1416289936.db2.gz JYWJDZQTFOQPJR-QGZVFWFLSA-N 1 0 380.916 3.212 20 10 GGCDRO O=C(Cc1cn2ccccc2n1)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000129968260 1416292660 /nfs/dbraw/zinc/29/26/60/1416292660.db2.gz XVHOJGYPRMQDSL-QGZVFWFLSA-N 1 0 398.894 3.017 20 10 GGCDRO O=C(Cc1cn2ccccc2n1)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000129968493 1416293278 /nfs/dbraw/zinc/29/32/78/1416293278.db2.gz XVHOJGYPRMQDSL-KRWDZBQOSA-N 1 0 398.894 3.017 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3cc(F)c(F)cc3F)cc2F)CC1 ZINC000130045442 1416308214 /nfs/dbraw/zinc/30/82/14/1416308214.db2.gz LGYBZZWNXHUKKR-UHFFFAOYSA-N 1 0 395.400 3.315 20 10 GGCDRO CCN(CC)C(=O)C[C@H](C)[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000130096116 1416316810 /nfs/dbraw/zinc/31/68/10/1416316810.db2.gz LCWHBKOVPJPPBE-JKSUJKDBSA-N 1 0 383.483 3.493 20 10 GGCDRO O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+]Cc2cc(Cl)ccc2O)cc1 ZINC000130197258 1416337566 /nfs/dbraw/zinc/33/75/66/1416337566.db2.gz HKYDFGQKLCBGLZ-UHFFFAOYSA-N 1 0 387.911 3.161 20 10 GGCDRO COc1ccc(N2CCC([NH2+]C3CCN(C(=O)c4ccco4)CC3)CC2)cc1 ZINC000130257826 1416347668 /nfs/dbraw/zinc/34/76/68/1416347668.db2.gz XHHHPSHTFWFPQU-UHFFFAOYSA-N 1 0 383.492 3.151 20 10 GGCDRO CN(C)c1ccc(CN(C)C(=O)CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000130690973 1416425816 /nfs/dbraw/zinc/42/58/16/1416425816.db2.gz LGQBTFHEXCRVQH-UHFFFAOYSA-N 1 0 396.491 3.284 20 10 GGCDRO CCCN(Cc1nnc2n1c1ccc(C)cc1c(=O)n2C)Cc1ccccc1O ZINC000130732209 1416436991 /nfs/dbraw/zinc/43/69/91/1416436991.db2.gz PFUSTHZIPRCTQM-UHFFFAOYSA-N 1 0 391.475 3.007 20 10 GGCDRO CCC[N@H+](CC(=O)Nc1ccccc1N1CCCC1=O)Cc1ccccc1O ZINC000130734207 1416438190 /nfs/dbraw/zinc/43/81/90/1416438190.db2.gz MYYQKPUWCRDXCO-UHFFFAOYSA-N 1 0 381.476 3.370 20 10 GGCDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2ccc(N3CCSCC3)cc2)C1 ZINC000130842516 1416464927 /nfs/dbraw/zinc/46/49/27/1416464927.db2.gz QPLDDBANNYHUPB-KRWDZBQOSA-N 1 0 377.554 3.339 20 10 GGCDRO CCOc1cccc(C[NH2+]C[C@@H](O)COc2ccccc2Br)c1O ZINC000130972922 1416489922 /nfs/dbraw/zinc/48/99/22/1416489922.db2.gz ZNUALKNYHYPNHH-CQSZACIVSA-N 1 0 396.281 3.083 20 10 GGCDRO CCOc1ccc(O)c(C[NH2+]C[C@@H](O)COc2ccccc2Br)c1 ZINC000131044172 1416500705 /nfs/dbraw/zinc/50/07/05/1416500705.db2.gz POWHZBMIDLQGRA-CQSZACIVSA-N 1 0 396.281 3.083 20 10 GGCDRO C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000131579707 1416579242 /nfs/dbraw/zinc/57/92/42/1416579242.db2.gz NRWMQMJOWTVPFI-KRWDZBQOSA-N 1 0 394.519 3.235 20 10 GGCDRO COc1ccccc1CC(=O)N1CCC([NH2+]Cc2ccc(N(C)C)cc2)CC1 ZINC000131586987 1416580648 /nfs/dbraw/zinc/58/06/48/1416580648.db2.gz PGWGFFJZHZDGSP-UHFFFAOYSA-N 1 0 381.520 3.085 20 10 GGCDRO Cc1cc(C(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)c(C)n1-c1ccc(F)cc1 ZINC000131691835 1416598071 /nfs/dbraw/zinc/59/80/71/1416598071.db2.gz NMQTWULTSRBLFC-HXUWFJFHSA-N 1 0 387.499 3.200 20 10 GGCDRO CCC(CC)[C@@H](C[NH2+]C1CCN(c2ccc(OC)cc2)CC1)N1CCOCC1 ZINC000131788279 1416620629 /nfs/dbraw/zinc/62/06/29/1416620629.db2.gz BZCOMUZIIAQOCC-HSZRJFAPSA-N 1 0 389.584 3.391 20 10 GGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2ccc(CS(=O)(=O)NC)cc2)cc1 ZINC000131884899 1416642210 /nfs/dbraw/zinc/64/22/10/1416642210.db2.gz DPNYYOFGSXIVMD-MRXNPFEDSA-N 1 0 375.538 3.043 20 10 GGCDRO CC[C@H]([NH2+]Cc1ccc(CS(=O)(=O)NC)cc1)c1ccc(N(C)C)cc1 ZINC000131902867 1416647228 /nfs/dbraw/zinc/64/72/28/1416647228.db2.gz YOAQOKCXWQDMPY-FQEVSTJZSA-N 1 0 375.538 3.043 20 10 GGCDRO COc1cc(Br)cc(C[NH2+]C[C@]2(O)CCc3ccccc32)c1O ZINC000132053270 1416683305 /nfs/dbraw/zinc/68/33/05/1416683305.db2.gz LGWMGJJQEAFMIP-GOSISDBHSA-N 1 0 378.266 3.087 20 10 GGCDRO C[C@H]([NH2+]C[C@@H](Cc1ccccc1)N(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000132872910 1416825575 /nfs/dbraw/zinc/82/55/75/1416825575.db2.gz ZCZRYJFIONRJGS-GHTZIAJQSA-N 1 0 385.527 3.486 20 10 GGCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)[C@@H]1CCCN(c2cccc(F)c2)C1=O ZINC000133709028 1416948381 /nfs/dbraw/zinc/94/83/81/1416948381.db2.gz XDKPXLHQOFUZJX-JOCHJYFZSA-N 1 0 397.494 3.290 20 10 GGCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)[C@H]1CCCN(c2cccc(F)c2)C1=O ZINC000133709213 1416948467 /nfs/dbraw/zinc/94/84/67/1416948467.db2.gz XDKPXLHQOFUZJX-QFIPXVFZSA-N 1 0 397.494 3.290 20 10 GGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2ccc(S(=O)(=O)N(C)C)cc2)cc1 ZINC000133827000 1416971063 /nfs/dbraw/zinc/97/10/63/1416971063.db2.gz NAGSHNXHLDCNTG-MRXNPFEDSA-N 1 0 375.538 3.244 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)Cc3cccc(F)c3F)cc2F)CC1 ZINC000133950784 1417000481 /nfs/dbraw/zinc/00/04/81/1417000481.db2.gz QTTCOCJYJPDMMD-UHFFFAOYSA-N 1 0 391.437 3.105 20 10 GGCDRO CC(=O)Nc1ccc(OC[C@@H](O)C[N@H+](Cc2ccc(N(C)C)cc2)C(C)C)cc1 ZINC000134066722 1417017076 /nfs/dbraw/zinc/01/70/76/1417017076.db2.gz POJJOHGWQQEHJE-QFIPXVFZSA-N 1 0 399.535 3.361 20 10 GGCDRO Cc1noc(C)c1CCC(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134264976 1417046076 /nfs/dbraw/zinc/04/60/76/1417046076.db2.gz MUNRUHXIAFGYGN-KRWDZBQOSA-N 1 0 391.899 3.364 20 10 GGCDRO C[C@@H]1CC[C@@H](CCC(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)O1 ZINC000134263130 1417046274 /nfs/dbraw/zinc/04/62/74/1417046274.db2.gz KFJYFXQKCQQKSS-OLMNPRSZSA-N 1 0 380.916 3.474 20 10 GGCDRO COCCC1(C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)CCC1 ZINC000134268766 1417047057 /nfs/dbraw/zinc/04/70/57/1417047057.db2.gz FNGXPRHFWIFQCM-KRWDZBQOSA-N 1 0 380.916 3.333 20 10 GGCDRO COCCC1(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)CCC1 ZINC000134268753 1417047199 /nfs/dbraw/zinc/04/71/99/1417047199.db2.gz FNGXPRHFWIFQCM-QGZVFWFLSA-N 1 0 380.916 3.333 20 10 GGCDRO Cc1[nH]nc2ncc(C(=O)N[C@@H]3CCC[N@H+](Cc4cc(Cl)ccc4O)C3)cc12 ZINC000134265905 1417047241 /nfs/dbraw/zinc/04/72/41/1417047241.db2.gz UBHQURKCKUMLEH-MRXNPFEDSA-N 1 0 399.882 3.020 20 10 GGCDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000178730684 1429154052 /nfs/dbraw/zinc/15/40/52/1429154052.db2.gz QUFYFELIRFVEQK-CQSZACIVSA-N 1 0 389.427 3.430 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)CC3CCSCC3)cc2F)CC1 ZINC000135473843 1417225032 /nfs/dbraw/zinc/22/50/32/1417225032.db2.gz SVJMODDLNSLCAC-UHFFFAOYSA-N 1 0 379.545 3.117 20 10 GGCDRO CCOc1ccccc1NC(=O)CC[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000136299946 1417308021 /nfs/dbraw/zinc/30/80/21/1417308021.db2.gz MCJLWCJAMNMBKO-UHFFFAOYSA-N 1 0 397.519 3.383 20 10 GGCDRO Cc1cc(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)c(C)n1-c1ccccc1 ZINC000136895720 1417353179 /nfs/dbraw/zinc/35/31/79/1417353179.db2.gz CFXBRRWUDRZXKP-LJQANCHMSA-N 1 0 381.520 3.325 20 10 GGCDRO Cc1cc(C(=O)CN2CC[NH+](C[C@@H]3CCOC3)CC2)c(C)n1-c1cccc(C)c1 ZINC000178826929 1429185649 /nfs/dbraw/zinc/18/56/49/1429185649.db2.gz LYYVKFPQTNXTQO-NRFANRHFSA-N 1 0 395.547 3.239 20 10 GGCDRO CCN(CC)c1ccc(CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1F ZINC000139664976 1417467815 /nfs/dbraw/zinc/46/78/15/1417467815.db2.gz UIVJYKQTRSERHM-PKOBYXMFSA-N 1 0 376.520 3.298 20 10 GGCDRO CCN(CC)c1ccc(CNC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1F ZINC000139664846 1417468230 /nfs/dbraw/zinc/46/82/30/1417468230.db2.gz UIVJYKQTRSERHM-MJGOQNOKSA-N 1 0 376.520 3.298 20 10 GGCDRO Fc1ccccc1C[NH2+]Cc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 ZINC000139816668 1417475987 /nfs/dbraw/zinc/47/59/87/1417475987.db2.gz DJHIBGIXIZJZEP-UHFFFAOYSA-N 1 0 395.457 3.371 20 10 GGCDRO Fc1cc(C[NH2+]Cc2cccs2)ccc1N1CCN(c2ncccn2)CC1 ZINC000139815568 1417476286 /nfs/dbraw/zinc/47/62/86/1417476286.db2.gz OOJDRHVWMGOQRS-UHFFFAOYSA-N 1 0 383.496 3.294 20 10 GGCDRO COc1ccc(N2CCN(C(=O)CN(C)[C@@H](C)c3ccc(F)cc3)CC2)cc1 ZINC000139997794 1417484443 /nfs/dbraw/zinc/48/44/43/1417484443.db2.gz LRJIQSAHZZWEOC-KRWDZBQOSA-N 1 0 385.483 3.176 20 10 GGCDRO O=C(NCc1ccc(N2CCCC2)cc1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000178874566 1429205747 /nfs/dbraw/zinc/20/57/47/1429205747.db2.gz ZLLWVGZCYKXHBW-DENIHFKCSA-N 1 0 382.552 3.445 20 10 GGCDRO COc1ccccc1N1CCC([NH2+]Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000147291192 1417743589 /nfs/dbraw/zinc/74/35/89/1417743589.db2.gz DLJZQVFEUCJRAB-UHFFFAOYSA-N 1 0 381.520 3.290 20 10 GGCDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)C1 ZINC000150761808 1417802162 /nfs/dbraw/zinc/80/21/62/1417802162.db2.gz TXOHPCCIXXCZKK-QUCCMNQESA-N 1 0 389.540 3.061 20 10 GGCDRO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000151056281 1417863598 /nfs/dbraw/zinc/86/35/98/1417863598.db2.gz XBQFIDQEXUHERQ-HNNXBMFYSA-N 1 0 388.899 3.079 20 10 GGCDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000151075371 1417867730 /nfs/dbraw/zinc/86/77/30/1417867730.db2.gz XOEUHEDGRWKQGX-SFHVURJKSA-N 1 0 399.510 3.350 20 10 GGCDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3ccc(N4CCOCC4)cc3)CC2)cc1 ZINC000151076431 1417867799 /nfs/dbraw/zinc/86/77/99/1417867799.db2.gz ZBAKQEGCJFTNOH-UHFFFAOYSA-N 1 0 396.491 3.190 20 10 GGCDRO COc1cc(OC)cc(OCCC[NH2+]Cc2ccc(N3CCOCC3)cc2)c1 ZINC000151146838 1417882090 /nfs/dbraw/zinc/88/20/90/1417882090.db2.gz XPUBPXSCRVHDRX-UHFFFAOYSA-N 1 0 386.492 3.099 20 10 GGCDRO COc1ccc(N2CC[NH+](CCCNC(=O)[C@H](C)c3cccs3)CC2)cc1 ZINC000151451476 1417977249 /nfs/dbraw/zinc/97/72/49/1417977249.db2.gz LWUDJHHPOMUTGD-QGZVFWFLSA-N 1 0 387.549 3.189 20 10 GGCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(-n2cncn2)cc1 ZINC000151549511 1418021228 /nfs/dbraw/zinc/02/12/28/1418021228.db2.gz TZIPMORDXWVTMZ-INIZCTEOSA-N 1 0 395.482 3.218 20 10 GGCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)c1ccc([S@@](C)=O)cc1 ZINC000151581607 1418031363 /nfs/dbraw/zinc/03/13/63/1418031363.db2.gz RBHMIEXTASDTBH-SOKVYYICSA-N 1 0 386.561 3.484 20 10 GGCDRO CCOC(=O)c1ccc(N2CCC[N@H+](Cc3cc(C)c(C)cc3O)CC2)nc1 ZINC000152044481 1418129094 /nfs/dbraw/zinc/12/90/94/1418129094.db2.gz BGHNOMBAKDCYOQ-UHFFFAOYSA-N 1 0 383.492 3.293 20 10 GGCDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)NCc2ccc(N(C)C)c(F)c2)CC1 ZINC000152072172 1418137897 /nfs/dbraw/zinc/13/78/97/1418137897.db2.gz JISLGAAOWMEUAL-INIZCTEOSA-N 1 0 399.514 3.312 20 10 GGCDRO Cc1cc(C(=O)N(C)[C@@H]2CC[NH2+]C2)c(C)n1-c1ccc(Br)cc1 ZINC000179116845 1429267393 /nfs/dbraw/zinc/26/73/93/1429267393.db2.gz NGQOIHRYOJTSGR-MRXNPFEDSA-N 1 0 376.298 3.291 20 10 GGCDRO Cc1cc2ncc([C@H](C)[NH2+]Cc3ccc(N4CCOCC4)c(F)c3)c(C)n2n1 ZINC000179400981 1429359521 /nfs/dbraw/zinc/35/95/21/1429359521.db2.gz VSVMLQWGAFWELS-HNNXBMFYSA-N 1 0 383.471 3.173 20 10 GGCDRO Cc1cc2ncc([C@H](C)[NH2+]Cc3ccc(N4CCC(CO)CC4)cc3)c(C)n2n1 ZINC000179405660 1429361717 /nfs/dbraw/zinc/36/17/17/1429361717.db2.gz JETQCRGNTCUPCR-KRWDZBQOSA-N 1 0 393.535 3.406 20 10 GGCDRO FC(F)(F)c1cc(N2CCOCC2)ccc1C[NH2+]Cc1cccc2nccn21 ZINC000179418140 1429366915 /nfs/dbraw/zinc/36/69/15/1429366915.db2.gz HDMGQBPYFHSBKG-UHFFFAOYSA-N 1 0 390.409 3.480 20 10 GGCDRO CN1CCCc2cc(CNC(=O)NCC3CCN(c4cc[nH+]cc4)CC3)ccc21 ZINC000179430737 1429372779 /nfs/dbraw/zinc/37/27/79/1429372779.db2.gz VUBDAFHBCMURKZ-UHFFFAOYSA-N 1 0 393.535 3.180 20 10 GGCDRO O=C(NCCCSc1nccs1)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179549824 1429425605 /nfs/dbraw/zinc/42/56/05/1429425605.db2.gz CCQPEGUZLXCHMZ-UHFFFAOYSA-N 1 0 391.566 3.236 20 10 GGCDRO O=C(Nc1ccc(Br)cn1)[C@@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC000179559882 1429432754 /nfs/dbraw/zinc/43/27/54/1429432754.db2.gz MHJSDBDJTGAMSH-CQSZACIVSA-N 1 0 390.281 3.400 20 10 GGCDRO COc1cc(O)c(C[N@H+](CC(=O)Nc2ccc(F)cc2)C(C)C)cc1OC ZINC000179579863 1429450439 /nfs/dbraw/zinc/45/04/39/1429450439.db2.gz UQKVYXWVBUDGIO-UHFFFAOYSA-N 1 0 376.428 3.398 20 10 GGCDRO CCOc1cccc(C[NH+]2CCN(Cc3cc(OC)ccc3OC)CC2)c1O ZINC000179637868 1429484235 /nfs/dbraw/zinc/48/42/35/1429484235.db2.gz INBYAFTZPKSYPK-UHFFFAOYSA-N 1 0 386.492 3.126 20 10 GGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)cc1OC ZINC000179657072 1429493246 /nfs/dbraw/zinc/49/32/46/1429493246.db2.gz RPQOMOIQIOFDFO-OAHLLOKOSA-N 1 0 386.496 3.107 20 10 GGCDRO COc1ccc(O)c(C[NH+]2CCC(C(=O)NCc3ccc(C)c(F)c3)CC2)c1 ZINC000179686341 1429506935 /nfs/dbraw/zinc/50/69/35/1429506935.db2.gz NAGBZNUZZOSTEX-UHFFFAOYSA-N 1 0 386.467 3.377 20 10 GGCDRO CCOC(=O)N1CCC([NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1 ZINC000152478804 1422114232 /nfs/dbraw/zinc/11/42/32/1422114232.db2.gz GYDFQXVWWXBSBU-INIZCTEOSA-N 1 0 397.466 3.467 20 10 GGCDRO COc1ccc(O)c([C@H](C)NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000179752841 1429538783 /nfs/dbraw/zinc/53/87/83/1429538783.db2.gz ATUQWPALFRYMFR-HNNXBMFYSA-N 1 0 384.480 3.073 20 10 GGCDRO Cc1cccc(OC[C@@H](O)C[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)c1 ZINC000152936373 1422301517 /nfs/dbraw/zinc/30/15/17/1422301517.db2.gz RNUXRXPCYAMBBW-HKUYNNGSSA-N 1 0 388.483 3.061 20 10 GGCDRO C[NH+](C)[C@H](CNC(=O)NCc1ccc(N2CC=CC2)cc1)c1cccc(F)c1 ZINC000152940405 1422302858 /nfs/dbraw/zinc/30/28/58/1422302858.db2.gz IMFPVUCRHMYWPC-OAQYLSRUSA-N 1 0 382.483 3.304 20 10 GGCDRO Cc1cc(C(=O)N2CCC([N@H+](C)CCCO)CC2)c(C)n1-c1ccccc1C ZINC000179765816 1429548746 /nfs/dbraw/zinc/54/87/46/1429548746.db2.gz DKVKXYVTNUSRGQ-UHFFFAOYSA-N 1 0 383.536 3.321 20 10 GGCDRO COc1ccc(-n2c(C)cc(C(=O)N3CCC([N@H+](C)CCCO)CC3)c2C)cc1 ZINC000179766310 1429548945 /nfs/dbraw/zinc/54/89/45/1429548945.db2.gz KNHXEFSFVUAAOO-UHFFFAOYSA-N 1 0 399.535 3.022 20 10 GGCDRO COc1cccc(C[NH+]2CCC(C(=O)NCc3ccc(C)c(F)c3)CC2)c1O ZINC000153161093 1422377109 /nfs/dbraw/zinc/37/71/09/1422377109.db2.gz HEKBSPLIWQLSSS-UHFFFAOYSA-N 1 0 386.467 3.377 20 10 GGCDRO C[C@@H](C(=O)Nc1cc(F)ccc1F)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000153332837 1422475369 /nfs/dbraw/zinc/47/53/69/1422475369.db2.gz LVVNPLKAAGJQAU-HNNXBMFYSA-N 1 0 389.446 3.260 20 10 GGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1 ZINC000153399420 1422514630 /nfs/dbraw/zinc/51/46/30/1422514630.db2.gz PDDYAQWXVWVLSL-UHFFFAOYSA-N 1 0 392.496 3.045 20 10 GGCDRO COc1ccc(O)c(C[N@H+](C)C[C@@H](O)COc2ccccc2C(F)(F)F)c1 ZINC000179801743 1429575096 /nfs/dbraw/zinc/57/50/96/1429575096.db2.gz WDKGAQVURCIFML-CQSZACIVSA-N 1 0 385.382 3.291 20 10 GGCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000153710646 1422714667 /nfs/dbraw/zinc/71/46/67/1422714667.db2.gz UQXGLRXSGMYAHU-JOCHJYFZSA-N 1 0 385.552 3.279 20 10 GGCDRO COc1ccc(O)c([C@H](C)NC(=O)CC[NH+]2CCN(c3cccc(C)c3)CC2)c1 ZINC000153948761 1422815570 /nfs/dbraw/zinc/81/55/70/1422815570.db2.gz FGSFJFQMEBQWER-SFHVURJKSA-N 1 0 397.519 3.099 20 10 GGCDRO O=C(/C=C/c1ccc(N2CCOCC2)cc1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000154029070 1422828397 /nfs/dbraw/zinc/82/83/97/1422828397.db2.gz YYDLJFIVBATOCA-QCBZQMRLSA-N 1 0 395.547 3.012 20 10 GGCDRO COc1ccc([C@H](C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)N2CCOCC2)cc1 ZINC000154252643 1422861998 /nfs/dbraw/zinc/86/19/98/1422861998.db2.gz XHZBSJHRIFPFHS-MBSDFSHPSA-N 1 0 383.536 3.485 20 10 GGCDRO COc1ccc([C@H](C[NH2+][C@H](C)c2ccc(N(C)C)cc2)N2CCOCC2)cc1 ZINC000154252763 1422862441 /nfs/dbraw/zinc/86/24/41/1422862441.db2.gz XHZBSJHRIFPFHS-JPYJTQIMSA-N 1 0 383.536 3.485 20 10 GGCDRO C[C@H]([NH2+]CCc1ccc2c(c1)OCCO2)c1ccc(N2CCOCC2)c(F)c1 ZINC000155199132 1423239499 /nfs/dbraw/zinc/23/94/99/1423239499.db2.gz KBYMPUHMHNXLNL-INIZCTEOSA-N 1 0 386.467 3.327 20 10 GGCDRO Cc1nn(C)c(N2CCOCC2)c1C[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000155244694 1423271085 /nfs/dbraw/zinc/27/10/85/1423271085.db2.gz RTQWPRVTDJCXML-UHFFFAOYSA-N 1 0 397.567 3.187 20 10 GGCDRO C[C@H]([NH2+]CCCN1CCCCCC1=O)c1ccc(N2CCOCC2)c(F)c1 ZINC000155498195 1423387448 /nfs/dbraw/zinc/38/74/48/1423387448.db2.gz STFVWAOWNBEQJB-KRWDZBQOSA-N 1 0 377.504 3.106 20 10 GGCDRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000155677685 1423482649 /nfs/dbraw/zinc/48/26/49/1423482649.db2.gz YLARTZWZVCMJCV-UHFFFAOYSA-N 1 0 396.510 3.475 20 10 GGCDRO COc1cc(O)c(C[N@@H+]2CCCC[C@H]2CNC(=O)c2ccccc2)cc1OC ZINC000179956240 1429661605 /nfs/dbraw/zinc/66/16/05/1429661605.db2.gz HZAXBMHKPQPKSP-SFHVURJKSA-N 1 0 384.476 3.194 20 10 GGCDRO CCCN(Cc1ccccc1O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000156393920 1423804371 /nfs/dbraw/zinc/80/43/71/1423804371.db2.gz HOUKARUTUBIUMB-CTNGQTDRSA-N 1 0 389.540 3.082 20 10 GGCDRO CCCN(Cc1ccccc1O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000156394069 1423804928 /nfs/dbraw/zinc/80/49/28/1423804928.db2.gz HOUKARUTUBIUMB-FPOVZHCZSA-N 1 0 389.540 3.082 20 10 GGCDRO C[N@H+](CCc1nc(-c2ccccc2)no1)Cc1ccc(N2CCOCC2)cc1 ZINC000157363043 1423994782 /nfs/dbraw/zinc/99/47/82/1423994782.db2.gz FOEGGUAEHLGZHM-UHFFFAOYSA-N 1 0 378.476 3.248 20 10 GGCDRO Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+](Cc3cccc(C)c3O)C2)cc1 ZINC000180012458 1429690641 /nfs/dbraw/zinc/69/06/41/1429690641.db2.gz JATIGSLAVHJQPW-GOSISDBHSA-N 1 0 388.533 3.200 20 10 GGCDRO C[C@@H]([NH2+]CCCOCC1CCOCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000157565582 1424039185 /nfs/dbraw/zinc/03/91/85/1424039185.db2.gz VERGVPULKDDUGR-QGZVFWFLSA-N 1 0 380.504 3.146 20 10 GGCDRO C[C@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000158172926 1424186111 /nfs/dbraw/zinc/18/61/11/1424186111.db2.gz KHJYHCTVSSPYDS-VQIMIIECSA-N 1 0 377.529 3.257 20 10 GGCDRO Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+](Cc3cc(F)ccc3O)C2)cc1 ZINC000180057606 1429717274 /nfs/dbraw/zinc/71/72/74/1429717274.db2.gz NTQGKEYUSLOBIU-MRXNPFEDSA-N 1 0 392.496 3.030 20 10 GGCDRO C[C@@H]([NH2+]CCN(C)C(=O)OC(C)(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000158724721 1424327876 /nfs/dbraw/zinc/32/78/76/1424327876.db2.gz NWKSSDRWKALHHT-OAHLLOKOSA-N 1 0 381.492 3.180 20 10 GGCDRO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000159083293 1424412876 /nfs/dbraw/zinc/41/28/76/1424412876.db2.gz BVWQUZHBCQWOEK-QGZVFWFLSA-N 1 0 388.533 3.168 20 10 GGCDRO CC(=O)Nc1ccc(OC[C@@H](O)C[N@H+](Cc2cccc(C)c2O)C(C)C)cc1 ZINC000180075755 1429726225 /nfs/dbraw/zinc/72/62/25/1429726225.db2.gz JVFQKLPITYDZGH-FQEVSTJZSA-N 1 0 386.492 3.309 20 10 GGCDRO CC(=O)Nc1ccc(OC[C@H](O)C[N@H+](Cc2cccc(C)c2O)C(C)C)cc1 ZINC000180075771 1429726736 /nfs/dbraw/zinc/72/67/36/1429726736.db2.gz JVFQKLPITYDZGH-HXUWFJFHSA-N 1 0 386.492 3.309 20 10 GGCDRO CCNC(=O)COc1ccc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)cc1OC ZINC000159219934 1424448973 /nfs/dbraw/zinc/44/89/73/1424448973.db2.gz OBDMRCQKAWHLOA-INIZCTEOSA-N 1 0 385.508 3.127 20 10 GGCDRO Cn1cc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)c(-c2cccnc2)n1 ZINC000160178929 1424584020 /nfs/dbraw/zinc/58/40/20/1424584020.db2.gz ITLNKKIDUUHYPV-HXUWFJFHSA-N 1 0 378.476 3.369 20 10 GGCDRO Cn1cc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)c(-c2ccncc2)n1 ZINC000160199955 1424586424 /nfs/dbraw/zinc/58/64/24/1424586424.db2.gz OHWXNQOYWQJPQW-HXUWFJFHSA-N 1 0 378.476 3.369 20 10 GGCDRO Oc1ccccc1C[N@@H+](Cc1ccccc1N1CCOCC1)C[C@H]1CCCO1 ZINC000160198518 1424586541 /nfs/dbraw/zinc/58/65/41/1424586541.db2.gz VOLLKAKNGPXYCD-OAQYLSRUSA-N 1 0 382.504 3.410 20 10 GGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H](C)c2cccc(S(=O)(=O)NC)c2)cc1 ZINC000161419370 1424687236 /nfs/dbraw/zinc/68/72/36/1424687236.db2.gz OHRKRWWRMMABQA-CVEARBPZSA-N 1 0 375.538 3.463 20 10 GGCDRO C[C@@H]([NH2+]Cc1ccccc1N1CCOCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000161473468 1424693335 /nfs/dbraw/zinc/69/33/35/1424693335.db2.gz VLYAJDVJLJHFPR-GOSISDBHSA-N 1 0 399.510 3.350 20 10 GGCDRO COc1ccc(N2CCC([NH2+]C3CCN(c4ccc(C#N)cn4)CC3)CC2)cc1 ZINC000161702619 1424744540 /nfs/dbraw/zinc/74/45/40/1424744540.db2.gz HDKLKGNIRXMBLH-UHFFFAOYSA-N 1 0 391.519 3.189 20 10 GGCDRO C[C@@H]([NH2+]CCNS(=O)(=O)c1ccccc1)c1ccc(N2CCCCC2)cc1 ZINC000162453426 1424854189 /nfs/dbraw/zinc/85/41/89/1424854189.db2.gz IJVUMURPONKFHQ-GOSISDBHSA-N 1 0 387.549 3.306 20 10 GGCDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)c3ccc4nccnc4c3)c2)CC1 ZINC000162980606 1424916765 /nfs/dbraw/zinc/91/67/65/1424916765.db2.gz FUKJXLYIQQTOPP-UHFFFAOYSA-N 1 0 375.476 3.413 20 10 GGCDRO C[C@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000163581126 1425020982 /nfs/dbraw/zinc/02/09/82/1425020982.db2.gz ZWADUNFNJHTKEL-INIZCTEOSA-N 1 0 390.574 3.494 20 10 GGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000163581251 1425021150 /nfs/dbraw/zinc/02/11/50/1425021150.db2.gz ZWADUNFNJHTKEL-MRXNPFEDSA-N 1 0 390.574 3.494 20 10 GGCDRO COc1cc(CN2CC[NH+](Cc3cc(C)cc(OC)c3O)CC2)cc(OC)c1 ZINC000164446128 1425113592 /nfs/dbraw/zinc/11/35/92/1425113592.db2.gz KNRMQRRMOXGLGU-UHFFFAOYSA-N 1 0 386.492 3.044 20 10 GGCDRO CC[C@@H]([NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1)c1ccc(N(C)C)cc1 ZINC000168080240 1425234718 /nfs/dbraw/zinc/23/47/18/1425234718.db2.gz NXAXCFICYOZGBG-MRXNPFEDSA-N 1 0 393.475 3.107 20 10 GGCDRO CCCN(Cc1ccccc1O)C(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000170731826 1425321983 /nfs/dbraw/zinc/32/19/83/1425321983.db2.gz QJQSTTKATIUOGZ-UHFFFAOYSA-N 1 0 381.520 3.192 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)CCc3cccs3)cc2F)CC1 ZINC000171520182 1425712760 /nfs/dbraw/zinc/71/27/60/1425712760.db2.gz XWRZAQIIMMZOCX-UHFFFAOYSA-N 1 0 375.513 3.278 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NCc3ccsc3)cc2F)CC1 ZINC000171710211 1425799690 /nfs/dbraw/zinc/79/96/90/1425799690.db2.gz LFTPJXJBUNQOPT-UHFFFAOYSA-N 1 0 376.501 3.029 20 10 GGCDRO COc1ccc(O)c([C@@H](C)NC(=O)NC2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000171734959 1425806979 /nfs/dbraw/zinc/80/69/79/1425806979.db2.gz DDBABXMTYCSSEA-QGZVFWFLSA-N 1 0 397.519 3.468 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N(C)Cc3ccoc3C)cc2F)CC1 ZINC000171751411 1425811432 /nfs/dbraw/zinc/81/14/32/1425811432.db2.gz QXRYTGWOHXIMHJ-UHFFFAOYSA-N 1 0 388.487 3.211 20 10 GGCDRO Cc1cc(C(=O)NCCC[NH+]2CCC(O)CC2)c(C)n1-c1ccc(Cl)cc1 ZINC000172312613 1425992022 /nfs/dbraw/zinc/99/20/22/1425992022.db2.gz XUZBRIIKKDABTD-UHFFFAOYSA-N 1 0 389.927 3.324 20 10 GGCDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3cccc4cc[nH]c43)CC2)cc1 ZINC000173133911 1426356331 /nfs/dbraw/zinc/35/63/31/1426356331.db2.gz IPMUHBXQRYFNKW-UHFFFAOYSA-N 1 0 392.503 3.119 20 10 GGCDRO COc1cccc(CNC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)c1O ZINC000173416927 1426599452 /nfs/dbraw/zinc/59/94/52/1426599452.db2.gz GXNFOPGVGNJJKK-HNNXBMFYSA-N 1 0 375.494 3.099 20 10 GGCDRO CC1CCN(c2ccc(CNC(=O)Nc3ccn(CC[NH+](C)C)n3)cc2)CC1 ZINC000173954656 1426907242 /nfs/dbraw/zinc/90/72/42/1426907242.db2.gz GUGAQULZYDICIL-UHFFFAOYSA-N 1 0 384.528 3.003 20 10 GGCDRO CC[N@H+](CC(=O)NC(C1CC1)C1CC1)Cc1cc(Br)ccc1O ZINC000173992853 1426930435 /nfs/dbraw/zinc/93/04/35/1426930435.db2.gz NCSLQGQNIZPPJI-UHFFFAOYSA-N 1 0 381.314 3.281 20 10 GGCDRO COc1ccccc1C[C@@H](C)[N@H+](C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000174032421 1426956161 /nfs/dbraw/zinc/95/61/61/1426956161.db2.gz GZGOBNRIEPBKGA-GOSISDBHSA-N 1 0 383.536 3.283 20 10 GGCDRO COc1ccccc1C[C@H](C)[N@H+](C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000174032409 1426956336 /nfs/dbraw/zinc/95/63/36/1426956336.db2.gz GZGOBNRIEPBKGA-SFHVURJKSA-N 1 0 383.536 3.283 20 10 GGCDRO COCc1ccc(C[NH2+]CCCN2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000174248833 1427068916 /nfs/dbraw/zinc/06/89/16/1427068916.db2.gz QUXKYPTUSXLZPK-UHFFFAOYSA-N 1 0 383.536 3.144 20 10 GGCDRO CCN(CC)c1ccc(CNC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc1F ZINC000174250640 1427070290 /nfs/dbraw/zinc/07/02/90/1427070290.db2.gz RWPJGYQBRMBZFX-SFHVURJKSA-N 1 0 376.520 3.299 20 10 GGCDRO Cc1cc(O)c(C[NH2+]Cc2ccccc2S(=O)(=O)N2CCCCC2)cc1C ZINC000174260922 1427073859 /nfs/dbraw/zinc/07/38/59/1427073859.db2.gz AEABMYOUANUPSN-UHFFFAOYSA-N 1 0 388.533 3.473 20 10 GGCDRO Cc1cc(O)c(C[NH2+]Cc2ccccc2S(=O)(=O)NC(C)(C)C)cc1C ZINC000174308112 1427094682 /nfs/dbraw/zinc/09/46/82/1427094682.db2.gz MGHWOQHNYISGFP-UHFFFAOYSA-N 1 0 376.522 3.376 20 10 GGCDRO COc1ccc(N2CCCN(C(=O)NCCC[NH+](C(C)C)C(C)C)CC2)cc1 ZINC000174352068 1427116080 /nfs/dbraw/zinc/11/60/80/1427116080.db2.gz GVRSEAQODRTFOF-UHFFFAOYSA-N 1 0 390.572 3.426 20 10 GGCDRO CCC[N@H+](CC(=O)N1CCN(Cc2cccs2)CC1)Cc1ccccc1O ZINC000174372510 1427125487 /nfs/dbraw/zinc/12/54/87/1427125487.db2.gz NWODZUNGUQBVIB-UHFFFAOYSA-N 1 0 387.549 3.010 20 10 GGCDRO Oc1cc2c(cc1C[NH2+]CCOc1ncc(C(F)(F)F)cc1Cl)OCO2 ZINC000174460763 1427167191 /nfs/dbraw/zinc/16/71/91/1427167191.db2.gz KPQIPUVAOQBXQL-UHFFFAOYSA-N 1 0 390.745 3.357 20 10 GGCDRO COc1ccc(N2CCC(NC(=O)N(C)CC[C@@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000174607276 1427258555 /nfs/dbraw/zinc/25/85/55/1427258555.db2.gz QKQQWVBVSVBLNL-IBGZPJMESA-N 1 0 388.556 3.180 20 10 GGCDRO Oc1cc2c(cc1C[NH2+][C@@H]1CCCN(c3ccc(OC(F)F)cc3)C1)OCO2 ZINC000174621417 1427268300 /nfs/dbraw/zinc/26/83/00/1427268300.db2.gz MIYMHELQHAPQSJ-CQSZACIVSA-N 1 0 392.402 3.481 20 10 GGCDRO NC(=O)c1cccc(C[NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 ZINC000174622552 1427269191 /nfs/dbraw/zinc/26/91/91/1427269191.db2.gz XINOYJKWXYBXGE-INIZCTEOSA-N 1 0 375.419 3.146 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N([C@H](C)C3CC3)C3CC3)cc2F)CC1 ZINC000174786370 1427366969 /nfs/dbraw/zinc/36/69/69/1427366969.db2.gz YULORNZFEREHKM-MRXNPFEDSA-N 1 0 388.531 3.440 20 10 GGCDRO COc1cccc(CNC(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)c1O ZINC000175011892 1427496991 /nfs/dbraw/zinc/49/69/91/1427496991.db2.gz IBMXKRQVUCWABF-INIZCTEOSA-N 1 0 383.492 3.426 20 10 GGCDRO O=C(NCc1c(O)ccc2c1CCCC2)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000175180154 1427585313 /nfs/dbraw/zinc/58/53/13/1427585313.db2.gz HXODOVQXBDLRED-UHFFFAOYSA-N 1 0 394.519 3.130 20 10 GGCDRO CCC[N@@H+]1CC[C@@H](CNC(=O)N(CC)Cc2cc(Br)ccc2O)C1 ZINC000175556428 1427814055 /nfs/dbraw/zinc/81/40/55/1427814055.db2.gz QDVLHDQYTJWCDD-AWEZNQCLSA-N 1 0 398.345 3.418 20 10 GGCDRO CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)c1O ZINC000175640225 1427841008 /nfs/dbraw/zinc/84/10/08/1427841008.db2.gz HAAXPYWBRQJMDD-CQSZACIVSA-N 1 0 380.460 3.423 20 10 GGCDRO Cc1cc(C(=O)NC2CC[NH+](Cc3cccnc3)CC2)c(C)n1-c1ccccn1 ZINC000175666266 1427850275 /nfs/dbraw/zinc/85/02/75/1427850275.db2.gz VRIIGYYIIWAFOT-UHFFFAOYSA-N 1 0 389.503 3.279 20 10 GGCDRO Cc1cc(C(=O)NCCCN2CC[NH+](C)CC2)c(C)n1-c1cc(C)cc(C)c1 ZINC000175777009 1427888923 /nfs/dbraw/zinc/88/89/23/1427888923.db2.gz CGYFDOMBOHOAFS-UHFFFAOYSA-N 1 0 382.552 3.078 20 10 GGCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H](CNC(=O)c3ccccc3)C2)c1O ZINC000175811773 1427904792 /nfs/dbraw/zinc/90/47/92/1427904792.db2.gz YDGFQPPHSMGMMW-MRXNPFEDSA-N 1 0 384.451 3.376 20 10 GGCDRO C[NH+](C)CCOc1ccccc1CNC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000176040938 1428043337 /nfs/dbraw/zinc/04/33/37/1428043337.db2.gz JQTJJXURNBJCPA-UHFFFAOYSA-N 1 0 397.519 3.211 20 10 GGCDRO CCOCc1cc(C[NH2+][C@H]2CC(=O)N(c3c(F)cccc3F)C2)ccc1OC ZINC000180216348 1429804340 /nfs/dbraw/zinc/80/43/40/1429804340.db2.gz DMGVDRHJSXTXMA-INIZCTEOSA-N 1 0 390.430 3.405 20 10 GGCDRO CC(C)(C)OC(=O)NCCCOC1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000180254841 1429815984 /nfs/dbraw/zinc/81/59/84/1429815984.db2.gz NBILQLJLJVIOIC-UHFFFAOYSA-N 1 0 382.476 3.427 20 10 GGCDRO O=C(NCc1ccc(N2CCCC2)cc1)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180309950 1429832536 /nfs/dbraw/zinc/83/25/36/1429832536.db2.gz IVEAGVHDJOKFGD-UHFFFAOYSA-N 1 0 393.535 3.398 20 10 GGCDRO O=C(NCc1ccc(N2CC=CC2)cc1)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180350878 1429843082 /nfs/dbraw/zinc/84/30/82/1429843082.db2.gz QKEMYMAXEMAITM-UHFFFAOYSA-N 1 0 391.519 3.174 20 10 GGCDRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2cc(F)ccc2O)cc1 ZINC000180413447 1429861703 /nfs/dbraw/zinc/86/17/03/1429861703.db2.gz XJBFLVBVDIUGGA-CQSZACIVSA-N 1 0 380.485 3.413 20 10 GGCDRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)/C=C/c3ccc(O)c(O)c3)cc2)C[C@@H](C)O1 ZINC000180645823 1429952585 /nfs/dbraw/zinc/95/25/85/1429952585.db2.gz GGCYCLGDDDXLTR-WVDJOFFCSA-N 1 0 396.487 3.037 20 10 GGCDRO CC[C@H]([NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1)c1ccc(N(C)C)cc1 ZINC000180796525 1430044919 /nfs/dbraw/zinc/04/49/19/1430044919.db2.gz RDIXKCXPKJFVCO-KRWDZBQOSA-N 1 0 389.512 3.058 20 10 GGCDRO O=S(=O)(c1ccc(CC[NH2+]Cc2cc(F)ccc2O)s1)N1CCCCC1 ZINC000180816401 1430055754 /nfs/dbraw/zinc/05/57/54/1430055754.db2.gz SNCRWOMMPLNULJ-UHFFFAOYSA-N 1 0 398.525 3.100 20 10 GGCDRO C[C@H]([NH2+]CCNC(=O)CC1CCCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000180837443 1430064472 /nfs/dbraw/zinc/06/44/72/1430064472.db2.gz WRXWGXIXYVDMGA-KRWDZBQOSA-N 1 0 391.531 3.400 20 10 GGCDRO CC[NH+](CC)CCOc1ccc(CNC(=O)/C=C/c2ccc(O)c(O)c2)cc1 ZINC000180930290 1430120848 /nfs/dbraw/zinc/12/08/48/1430120848.db2.gz YNEIHGVZNKZIIB-XYOKQWHBSA-N 1 0 384.476 3.148 20 10 GGCDRO C[C@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(N2CCCCC2)c(F)c1 ZINC000180961357 1430137806 /nfs/dbraw/zinc/13/78/06/1430137806.db2.gz SZTPRXVTDVLUDL-HNAYVOBHSA-N 1 0 385.487 3.006 20 10 GGCDRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2cc(Cl)cc(C(C)=O)c2O)cc1 ZINC000181034626 1430178082 /nfs/dbraw/zinc/17/80/82/1430178082.db2.gz NPKQHQXDYSVVAZ-LLVKDONJSA-N 1 0 396.896 3.007 20 10 GGCDRO Cc1ccoc1C(=O)NCCC[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000181076145 1430200498 /nfs/dbraw/zinc/20/04/98/1430200498.db2.gz JALMWQNZSPUENU-MRXNPFEDSA-N 1 0 389.471 3.034 20 10 GGCDRO C[C@@H]([NH2+]C1(CNC(=O)/C=C/c2ccc(O)c(O)c2)CCOCC1)c1ccccc1 ZINC000181082732 1430202901 /nfs/dbraw/zinc/20/29/01/1430202901.db2.gz FTDHDQZRUYVWFC-SYJIQKIWSA-N 1 0 396.487 3.127 20 10 GGCDRO C[C@H]([NH2+]C1(CNC(=O)/C=C/c2ccc(O)c(O)c2)CCOCC1)c1ccccc1 ZINC000181082713 1430202933 /nfs/dbraw/zinc/20/29/33/1430202933.db2.gz FTDHDQZRUYVWFC-VMSUTVGLSA-N 1 0 396.487 3.127 20 10 GGCDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc(N2CCCCC2)cc1 ZINC000181177035 1430238604 /nfs/dbraw/zinc/23/86/04/1430238604.db2.gz QNPBIYKNFZKUEN-FXAWDEMLSA-N 1 0 381.524 3.257 20 10 GGCDRO Cc1cc(N2CC[C@H]([NH2+][C@@H](C)c3ccc(N4CCCCC4)cc3)C2=O)n(C)n1 ZINC000181188506 1430242377 /nfs/dbraw/zinc/24/23/77/1430242377.db2.gz HRQBGRUUTDNLIN-PXNSSMCTSA-N 1 0 381.524 3.175 20 10 GGCDRO Cc1cc(N2CC[C@H]([NH2+][C@H](C)c3ccc(N4CCCCC4)cc3)C2=O)n(C)n1 ZINC000181188547 1430242398 /nfs/dbraw/zinc/24/23/98/1430242398.db2.gz HRQBGRUUTDNLIN-XLIONFOSSA-N 1 0 381.524 3.175 20 10 GGCDRO C[C@@H]([NH2+]Cc1ccc([S@](C)=O)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000181250602 1430256661 /nfs/dbraw/zinc/25/66/61/1430256661.db2.gz GTYIFOOAWJBNCN-WZQKQDCOSA-N 1 0 376.497 3.251 20 10 GGCDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000181263912 1430258791 /nfs/dbraw/zinc/25/87/91/1430258791.db2.gz ALPCMFREFCPODU-YRVHBARZSA-N 1 0 396.487 3.330 20 10 GGCDRO C[C@@H]([NH2+]CCOc1ncccc1Cl)c1ccc(N2CCOCC2)c(F)c1 ZINC000181322317 1430272818 /nfs/dbraw/zinc/27/28/18/1430272818.db2.gz GSVBZRKXOSWCRJ-CQSZACIVSA-N 1 0 379.863 3.440 20 10 GGCDRO C[C@H]([NH2+]CC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)c1ccccc1 ZINC000181345274 1430278300 /nfs/dbraw/zinc/27/83/00/1430278300.db2.gz PTTPRFDAGWRCQH-KSZLIROESA-N 1 0 399.510 3.406 20 10 GGCDRO C[C@H]([NH2+]CC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)c1ccccc1 ZINC000181345289 1430278309 /nfs/dbraw/zinc/27/83/09/1430278309.db2.gz PTTPRFDAGWRCQH-BZSNNMDCSA-N 1 0 399.510 3.406 20 10 GGCDRO COc1ccc(N2CCN(CCC[NH2+][C@@H](C)c3cccc(C#N)c3)CC2)cc1 ZINC000181419394 1430293893 /nfs/dbraw/zinc/29/38/93/1430293893.db2.gz MEACYXJORZXKHW-IBGZPJMESA-N 1 0 378.520 3.430 20 10 GGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCN(C)S(=O)(=O)c2cccs2)cc1 ZINC000181503986 1430311603 /nfs/dbraw/zinc/31/16/03/1430311603.db2.gz OXHJJEMUZLGROG-OAHLLOKOSA-N 1 0 381.567 3.176 20 10 GGCDRO CC[C@H]([NH2+]CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(C)cc1 ZINC000181699394 1430343785 /nfs/dbraw/zinc/34/37/85/1430343785.db2.gz MDFYKMPFXPAWDL-NRFANRHFSA-N 1 0 399.510 3.328 20 10 GGCDRO CCC[C@H]([NH2+]CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccccc1 ZINC000181778893 1430358184 /nfs/dbraw/zinc/35/81/84/1430358184.db2.gz QQBQYQKIHFLUPP-NRFANRHFSA-N 1 0 399.510 3.410 20 10 GGCDRO C[C@H]([NH2+]C[C@H]1COC2(CCCCC2)O1)c1ccc(N2CCOCC2)c(F)c1 ZINC000182131044 1430416986 /nfs/dbraw/zinc/41/69/86/1430416986.db2.gz VZOPQTUSARBWNI-WMZOPIPTSA-N 1 0 378.488 3.389 20 10 GGCDRO C[C@@H]([NH2+]C[C@H]1COC2(CCCCC2)O1)c1ccc(N2CCOCC2)c(F)c1 ZINC000182131063 1430417185 /nfs/dbraw/zinc/41/71/85/1430417185.db2.gz VZOPQTUSARBWNI-AEFFLSMTSA-N 1 0 378.488 3.389 20 10 GGCDRO COc1cc2c(cc1OC)CN(C(=O)CCC[NH2+]Cc1cccc(C)c1O)CC2 ZINC000182203838 1430429501 /nfs/dbraw/zinc/42/95/01/1430429501.db2.gz NZNCRWLSLVVAPH-UHFFFAOYSA-N 1 0 398.503 3.173 20 10 GGCDRO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3cccc(Cl)c3[O-])c2)C1 ZINC000182202964 1430429524 /nfs/dbraw/zinc/42/95/24/1430429524.db2.gz RUIYHKHIFJKRTH-GOSISDBHSA-N 1 0 387.911 3.033 20 10 GGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)Nc2cc(C)nn2-c2ccccc2F)c1 ZINC000182356480 1430452964 /nfs/dbraw/zinc/45/29/64/1430452964.db2.gz BEHNBUUNWJGHIP-CQSZACIVSA-N 1 0 398.438 3.323 20 10 GGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)Nc2nc3ccc(F)cc3s2)c1 ZINC000182404297 1430461328 /nfs/dbraw/zinc/46/13/28/1430461328.db2.gz GAENNFSUELNLNN-SNVBAGLBSA-N 1 0 375.425 3.439 20 10 GGCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)NCc2ccc(OC(F)(F)F)cc2)c1 ZINC000182453768 1430470473 /nfs/dbraw/zinc/47/04/73/1430470473.db2.gz FCPVNJJIKCBLIX-LBPRGKRZSA-N 1 0 398.381 3.266 20 10 GGCDRO C[C@@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182569871 1430495000 /nfs/dbraw/zinc/49/50/00/1430495000.db2.gz CPYXMBKDXZCJKR-WBVHZDCISA-N 1 0 376.520 3.344 20 10 GGCDRO C[C@@H](CCNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)[NH+]1CCCCC1 ZINC000182683743 1430516834 /nfs/dbraw/zinc/51/68/34/1430516834.db2.gz IVJRTWRZRLVHII-ICSRJNTNSA-N 1 0 389.540 3.347 20 10 GGCDRO COc1ccc(N2CCCN(C(=O)NCC[C@H](C)[NH+]3CCCCC3)CC2)cc1 ZINC000182693079 1430519028 /nfs/dbraw/zinc/51/90/28/1430519028.db2.gz QSUJQWJVEWMJJU-IBGZPJMESA-N 1 0 388.556 3.181 20 10 GGCDRO CCN(CC)c1ccc(CNC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc1F ZINC000182806359 1430543331 /nfs/dbraw/zinc/54/33/31/1430543331.db2.gz WJJRYRIISZCTBL-HKUYNNGSSA-N 1 0 376.520 3.298 20 10 GGCDRO CCCN(Cc1ccccc1O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000182889401 1430563100 /nfs/dbraw/zinc/56/31/00/1430563100.db2.gz OVQVFEYVTQJARY-OAQYLSRUSA-N 1 0 397.519 3.081 20 10 GGCDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccc(C)c(O)c1O ZINC000182908734 1430568782 /nfs/dbraw/zinc/56/87/82/1430568782.db2.gz LDDCGARCNIBATJ-KRWDZBQOSA-N 1 0 384.476 3.239 20 10 GGCDRO Oc1cc(OCc2ccccc2)ccc1C[NH+]1CCN(c2ncccn2)CC1 ZINC000182943391 1430577589 /nfs/dbraw/zinc/57/75/89/1430577589.db2.gz KQWDLHCNUIHTMF-UHFFFAOYSA-N 1 0 376.460 3.083 20 10 GGCDRO CC(C)[NH+](CC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)C(C)C ZINC000183066007 1430604282 /nfs/dbraw/zinc/60/42/82/1430604282.db2.gz WHOGDUYQFSKROT-IRXDYDNUSA-N 1 0 379.520 3.174 20 10 GGCDRO C[N@H+](CCCO)C1CCN(Cc2ccc(OCc3ccccc3)cc2O)CC1 ZINC000183073472 1430606294 /nfs/dbraw/zinc/60/62/94/1430606294.db2.gz DIMACZIFUOBHGI-UHFFFAOYSA-N 1 0 384.520 3.250 20 10 GGCDRO Oc1cc(OCc2ccccc2)ccc1C[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000183098180 1430612061 /nfs/dbraw/zinc/61/20/61/1430612061.db2.gz PFILVFOJYLCXRO-HXUWFJFHSA-N 1 0 382.504 3.125 20 10 GGCDRO C[C@H]([NH2+]CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)[C@@H](C)c1ccccc1 ZINC000183367438 1430691359 /nfs/dbraw/zinc/69/13/59/1430691359.db2.gz AQINEALXDMSHAR-MSOLQXFVSA-N 1 0 399.510 3.060 20 10 GGCDRO COc1cc2c(cc1OC)CN(C(=O)CCC[NH2+][C@H](C)c1ccccc1O)CC2 ZINC000183598496 1430750583 /nfs/dbraw/zinc/75/05/83/1430750583.db2.gz BXLJWYAOWGEOPB-MRXNPFEDSA-N 1 0 398.503 3.425 20 10 GGCDRO C[C@@H]([NH2+]CCOc1ccc(S(=O)(=O)C(F)(F)F)cc1)c1ccccc1O ZINC000183634360 1430759751 /nfs/dbraw/zinc/75/97/51/1430759751.db2.gz BTZACSSUZGJZHB-GFCCVEGCSA-N 1 0 389.395 3.415 20 10 GGCDRO Cc1ccc(NCc2ccc(N3CCOCC3)cc2)cc1NC(=O)CC[NH+](C)C ZINC000183775018 1430791413 /nfs/dbraw/zinc/79/14/13/1430791413.db2.gz MMANNKGKEOFRHD-UHFFFAOYSA-N 1 0 396.535 3.334 20 10 GGCDRO COc1cccc(C[NH2+][C@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)c1O ZINC000183811752 1430799611 /nfs/dbraw/zinc/79/96/11/1430799611.db2.gz XAJVSTLGFUGTNY-HNNXBMFYSA-N 1 0 394.393 3.310 20 10 GGCDRO Cc1cc(C(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)c(C)n1-c1ccccc1C ZINC000184069780 1430837311 /nfs/dbraw/zinc/83/73/11/1430837311.db2.gz YHLIPIXDZYUXRN-SFHVURJKSA-N 1 0 382.552 3.158 20 10 GGCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3cc([N+](=O)[O-])ccc3N(C)C)c2)CC1 ZINC000184255861 1430863327 /nfs/dbraw/zinc/86/33/27/1430863327.db2.gz UQNBYNNCPZUDBU-UHFFFAOYSA-N 1 0 397.479 3.055 20 10 GGCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3ccc(F)c(NC(C)=O)c3)c2)CC1 ZINC000184257353 1430863337 /nfs/dbraw/zinc/86/33/37/1430863337.db2.gz MZFIRLIRJCJNBV-UHFFFAOYSA-N 1 0 384.455 3.178 20 10 GGCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3ccc(-c4nc(C)no4)cc3)c2)CC1 ZINC000184265505 1430864821 /nfs/dbraw/zinc/86/48/21/1430864821.db2.gz SXCDWQNAEWJBIT-UHFFFAOYSA-N 1 0 391.475 3.439 20 10 GGCDRO CCN(C)C(=O)c1cccc(C(=O)Nc2cccc(N3CC[NH+](CC)CC3)c2)c1 ZINC000184271337 1430865732 /nfs/dbraw/zinc/86/57/32/1430865732.db2.gz HNYQXWKLEPHEFE-UHFFFAOYSA-N 1 0 394.519 3.173 20 10 GGCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3ccc4c(c3)NC(=O)CS4)c2)CC1 ZINC000184280710 1430867149 /nfs/dbraw/zinc/86/71/49/1430867149.db2.gz GRWZLTBOKRMDJH-UHFFFAOYSA-N 1 0 396.516 3.125 20 10 GGCDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@H](O)COc1ccccc1Cl ZINC000184829393 1430994466 /nfs/dbraw/zinc/99/44/66/1430994466.db2.gz MXQDWTUVAZXFQS-IBGZPJMESA-N 1 0 390.911 3.048 20 10 GGCDRO COc1ccc([C@@H](C[NH2+][C@@H](C)c2cc(OC)ccc2O)N2CCOCC2)cc1 ZINC000184859192 1431005299 /nfs/dbraw/zinc/00/52/99/1431005299.db2.gz JDUYAXMTZTUSEV-HRAATJIYSA-N 1 0 386.492 3.134 20 10 GGCDRO CCCS(=O)(=O)N1CCC([NH2+][C@H](C)c2cc3c(cc2O)CCCC3)CC1 ZINC000185016686 1431042569 /nfs/dbraw/zinc/04/25/69/1431042569.db2.gz JJLCFESCABAQSP-OAHLLOKOSA-N 1 0 380.554 3.126 20 10 GGCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2cccc(NC(=O)CCN3CCOCC3)c2)c1 ZINC000185080609 1431056305 /nfs/dbraw/zinc/05/63/05/1431056305.db2.gz WNPCZSRVYXAXIO-SFHVURJKSA-N 1 0 397.519 3.212 20 10 GGCDRO CC(C)NS(=O)(=O)Cc1ccc(C[NH2+][C@H](C)c2cc(F)ccc2O)cc1 ZINC000185136069 1431070060 /nfs/dbraw/zinc/07/00/60/1431070060.db2.gz OEKNXNFCESDJRS-CQSZACIVSA-N 1 0 380.485 3.210 20 10 GGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cccc(C(=O)NC[C@@H]3CCCO3)c2)c1 ZINC000185138087 1431070285 /nfs/dbraw/zinc/07/02/85/1431070285.db2.gz UTKCSDSQOUXMKR-KXBFYZLASA-N 1 0 384.476 3.160 20 10 GGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cccc(C(=O)NC[C@H]3CCCO3)c2)c1 ZINC000185138118 1431070472 /nfs/dbraw/zinc/07/04/72/1431070472.db2.gz UTKCSDSQOUXMKR-HNAYVOBHSA-N 1 0 384.476 3.160 20 10 GGCDRO CCOc1ccc(S(=O)(=O)Nc2cccc(N3CC[NH+](CC)CC3)c2)cc1 ZINC000185158422 1431074444 /nfs/dbraw/zinc/07/44/44/1431074444.db2.gz IWWIENFRRFEMHZ-UHFFFAOYSA-N 1 0 389.521 3.028 20 10 GGCDRO C[C@H]([NH2+]CCS(=O)(=O)NCc1ccccc1)c1ccc2ccccc2c1O ZINC000185161328 1431074608 /nfs/dbraw/zinc/07/46/08/1431074608.db2.gz CLZHHBABROGDIH-INIZCTEOSA-N 1 0 384.501 3.316 20 10 GGCDRO C[C@@H]([NH2+]CCS(=O)(=O)NCc1ccccc1)c1cc2c(cc1O)CCCC2 ZINC000185161388 1431075014 /nfs/dbraw/zinc/07/50/14/1431075014.db2.gz ZVKCHODOABLVMH-MRXNPFEDSA-N 1 0 388.533 3.041 20 10 GGCDRO C[C@H]([NH2+]CCC(=O)N1CCN(c2ccc(F)cc2)CC1)c1cc(F)ccc1O ZINC000185178561 1431078542 /nfs/dbraw/zinc/07/85/42/1431078542.db2.gz QQWZUOPUDUQOGV-HNNXBMFYSA-N 1 0 389.446 3.060 20 10 GGCDRO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cc(F)ccc1O ZINC000185178910 1431078560 /nfs/dbraw/zinc/07/85/60/1431078560.db2.gz YLGRCJVZHINKFP-AWEZNQCLSA-N 1 0 378.469 3.167 20 10 GGCDRO COc1ccccc1CC(=O)N1CCC([NH2+][C@@H](C)c2cc(F)ccc2O)CC1 ZINC000185255304 1431094762 /nfs/dbraw/zinc/09/47/62/1431094762.db2.gz VYUCLJCWPQQUBQ-HNNXBMFYSA-N 1 0 386.467 3.424 20 10 GGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccccc2CS(=O)(=O)NC(C)C)c1 ZINC000185355986 1431124865 /nfs/dbraw/zinc/12/48/65/1431124865.db2.gz DHXZKCUXVIQYGW-HNNXBMFYSA-N 1 0 392.521 3.079 20 10 GGCDRO CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000185356137 1431124884 /nfs/dbraw/zinc/12/48/84/1431124884.db2.gz JUMLKOJONGBZCY-AWEZNQCLSA-N 1 0 380.485 3.210 20 10 GGCDRO C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccc(F)cc1[O-] ZINC000185400500 1431137120 /nfs/dbraw/zinc/13/71/20/1431137120.db2.gz RVFQNVOOELRXFA-YJBOKZPZSA-N 1 0 385.483 3.079 20 10 GGCDRO O=C1C[C@@H]([NH2+]Cc2cc(F)ccc2O)CN1Cc1ccccc1C(F)(F)F ZINC000185655211 1431197254 /nfs/dbraw/zinc/19/72/54/1431197254.db2.gz SSOKZIITAJIKRL-OAHLLOKOSA-N 1 0 382.357 3.441 20 10 GGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCN(Cc3cc(OC)cc(OC)c3)C2)c1 ZINC000185681537 1431204380 /nfs/dbraw/zinc/20/43/80/1431204380.db2.gz NGFMARAJOHLOHJ-RDJZCZTQSA-N 1 0 386.492 3.343 20 10 GGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCN(Cc3cc(OC)cc(OC)c3)C2)c1 ZINC000185681500 1431204499 /nfs/dbraw/zinc/20/44/99/1431204499.db2.gz NGFMARAJOHLOHJ-DOTOQJQBSA-N 1 0 386.492 3.343 20 10 GGCDRO C[C@@H]([NH2+]CC1CCN(S(=O)(=O)c2ccccc2)CC1)c1cc(F)ccc1O ZINC000185974750 1431302573 /nfs/dbraw/zinc/30/25/73/1431302573.db2.gz IIYFNNWFIUYONB-OAHLLOKOSA-N 1 0 392.496 3.283 20 10 GGCDRO Cc1ccc([C@H](C)[NH2+]CCCC(=O)N2CCN(c3ccccc3)CC2)c(O)c1 ZINC000186062643 1431322394 /nfs/dbraw/zinc/32/23/94/1431322394.db2.gz QOLDDDSQNUIIAI-IBGZPJMESA-N 1 0 381.520 3.480 20 10 GGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCCC(=O)N2CCN(c3ccccc3)CC2)c1 ZINC000186062486 1431322452 /nfs/dbraw/zinc/32/24/52/1431322452.db2.gz OFRKTEOISCLVJS-IBGZPJMESA-N 1 0 381.520 3.480 20 10 GGCDRO C[C@H]([NH2+]CCCC(=O)N1CCN(c2ccccc2)CC1)c1cc(F)ccc1O ZINC000186062707 1431322539 /nfs/dbraw/zinc/32/25/39/1431322539.db2.gz YAAFJODGPIZZIS-KRWDZBQOSA-N 1 0 385.483 3.311 20 10 GGCDRO C[C@@H]([NH2+]CCCC(=O)N1CCN(c2ccccc2)CC1)c1cc(F)ccc1O ZINC000186062725 1431322606 /nfs/dbraw/zinc/32/26/06/1431322606.db2.gz YAAFJODGPIZZIS-QGZVFWFLSA-N 1 0 385.483 3.311 20 10 GGCDRO C[C@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)c1ccc2ccccc2c1O ZINC000186158823 1431343961 /nfs/dbraw/zinc/34/39/61/1431343961.db2.gz YCORCPVASUSHOM-ZFWWWQNUSA-N 1 0 391.514 3.092 20 10 GGCDRO COc1cc(N2CC[NH+](Cc3ccc(C#N)cc3C)CC2)cc(OC)c1OC ZINC000186331288 1431385002 /nfs/dbraw/zinc/38/50/02/1431385002.db2.gz CBYAPLSUJTZDFY-UHFFFAOYSA-N 1 0 381.476 3.215 20 10 GGCDRO CC(C)CS(=O)(=O)N1CCC([NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)CC1 ZINC000186376959 1431395601 /nfs/dbraw/zinc/39/56/01/1431395601.db2.gz SNALLSDQYDGBQI-INIZCTEOSA-N 1 0 394.581 3.372 20 10 GGCDRO CC[NH+](CC)CCOc1ccc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1 ZINC000186438827 1431419962 /nfs/dbraw/zinc/41/99/62/1431419962.db2.gz WYYZJYGDZBDKGC-INIZCTEOSA-N 1 0 386.492 3.179 20 10 GGCDRO COc1cc(O)c(C[NH+]2CCC(O)(Cc3cccc(F)c3)CC2)cc1OC ZINC000186587530 1431461903 /nfs/dbraw/zinc/46/19/03/1431461903.db2.gz SMJHHCHUPHZOCY-UHFFFAOYSA-N 1 0 375.440 3.118 20 10 GGCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)c(F)c1)c1ccccc1O ZINC000186704870 1431496599 /nfs/dbraw/zinc/49/65/99/1431496599.db2.gz BRCDMXKIRVKNRB-QGZVFWFLSA-N 1 0 378.469 3.312 20 10 GGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)c(F)c1)c1cc(F)ccc1O ZINC000186709542 1431497717 /nfs/dbraw/zinc/49/77/17/1431497717.db2.gz KDZDLBNQDCNMRG-GFCCVEGCSA-N 1 0 382.432 3.061 20 10 GGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(N3CCCS3(=O)=O)c(F)c2)c1 ZINC000186711127 1431498274 /nfs/dbraw/zinc/49/82/74/1431498274.db2.gz BMEQTXPDWRYIQA-CQSZACIVSA-N 1 0 378.469 3.230 20 10 GGCDRO CN1C(=O)CCc2cc(C[N@@H+](Cc3ccccc3O)C[C@@H]3CCCO3)ccc21 ZINC000186808941 1431522831 /nfs/dbraw/zinc/52/28/31/1431522831.db2.gz LJNCRYHXBGBZQZ-FQEVSTJZSA-N 1 0 380.488 3.482 20 10 GGCDRO CN1C(=O)CCc2cc(C[N@@H+](Cc3ccccc3O)C[C@H]3CCCO3)ccc21 ZINC000186808961 1431523084 /nfs/dbraw/zinc/52/30/84/1431523084.db2.gz LJNCRYHXBGBZQZ-HXUWFJFHSA-N 1 0 380.488 3.482 20 10 GGCDRO CCOCc1cc(C[NH2+][C@H](C)CS(=O)(=O)c2ccc(C)cc2)ccc1OC ZINC000187494736 1431748132 /nfs/dbraw/zinc/74/81/32/1431748132.db2.gz BBHZQJQOSOHNLJ-QGZVFWFLSA-N 1 0 391.533 3.492 20 10 GGCDRO C[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccc(F)c(F)c1[O-] ZINC000187702710 1431801829 /nfs/dbraw/zinc/80/18/29/1431801829.db2.gz ZFPAQRPDOJDYHF-AWEZNQCLSA-N 1 0 376.447 3.478 20 10 GGCDRO C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)c1ccc(F)c(F)c1[O-] ZINC000187747841 1431807617 /nfs/dbraw/zinc/80/76/17/1431807617.db2.gz FQMFJPIQDMANNO-CQSZACIVSA-N 1 0 376.447 3.478 20 10 GGCDRO COC[C@H]([NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1CCOCC1 ZINC000188088177 1431845087 /nfs/dbraw/zinc/84/50/87/1431845087.db2.gz YAYCTAQQCIOTGG-APWZRJJASA-N 1 0 384.467 3.288 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CCSCC[C@@H]3C)cc2F)CC1 ZINC000188711709 1431941045 /nfs/dbraw/zinc/94/10/45/1431941045.db2.gz BZIYAXMYOIXGDI-INIZCTEOSA-N 1 0 394.560 3.005 20 10 GGCDRO CCCN(CCC[NH+](C)C)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000188730215 1431948889 /nfs/dbraw/zinc/94/88/89/1431948889.db2.gz WACHWHAWQALFJT-UHFFFAOYSA-N 1 0 378.586 3.113 20 10 GGCDRO Fc1ccc(Cn2cc(C[NH2+]Cc3ccc(N4CCOCC4)c(F)c3)cn2)cc1 ZINC000189053149 1432035512 /nfs/dbraw/zinc/03/55/12/1432035512.db2.gz GPLCWOJVOUWNLY-UHFFFAOYSA-N 1 0 398.457 3.336 20 10 GGCDRO C[C@H]1[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)CCCN1C(=O)OC(C)(C)C ZINC000189528481 1432149457 /nfs/dbraw/zinc/14/94/57/1432149457.db2.gz IXJIJRXSMGOWJN-PXNSSMCTSA-N 1 0 389.540 3.401 20 10 GGCDRO C[C@@H]1[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)CCCN1C(=O)OC(C)(C)C ZINC000189528418 1432149473 /nfs/dbraw/zinc/14/94/73/1432149473.db2.gz IXJIJRXSMGOWJN-YLJYHZDGSA-N 1 0 389.540 3.401 20 10 GGCDRO CCN(CCC[NH+](C)C)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000189806989 1432240637 /nfs/dbraw/zinc/24/06/37/1432240637.db2.gz VCSGYQZPGYOYSS-MRXNPFEDSA-N 1 0 398.498 3.240 20 10 GGCDRO COc1cc(O)c(C[NH+]2CCC(O)(c3c(F)cccc3F)CC2)cc1OC ZINC000190022403 1432306827 /nfs/dbraw/zinc/30/68/27/1432306827.db2.gz SIODDSUYHTVPNP-UHFFFAOYSA-N 1 0 379.403 3.171 20 10 GGCDRO C[C@@H]1CN(c2ccc(CNC(=O)C[NH2+][C@@H]3CCCC3(C)C)cc2F)C[C@@H](C)O1 ZINC000191844605 1432738247 /nfs/dbraw/zinc/73/82/47/1432738247.db2.gz RDGJJKGXLJVJFF-JXXFODFXSA-N 1 0 391.531 3.224 20 10 GGCDRO Oc1cc2c(cc1C[N@@H+]1CCCN(c3nnc(C(F)(F)F)s3)CC1)CCC2 ZINC000191933219 1432759376 /nfs/dbraw/zinc/75/93/76/1432759376.db2.gz VQRLTMRQPIJGIF-UHFFFAOYSA-N 1 0 398.454 3.464 20 10 GGCDRO Cc1cc(O)c(C[NH+]2CCN(Cc3nc(-c4cccs4)no3)CC2)cc1C ZINC000192458540 1432847195 /nfs/dbraw/zinc/84/71/95/1432847195.db2.gz LMMPWJQFPGIFKW-UHFFFAOYSA-N 1 0 384.505 3.438 20 10 GGCDRO COc1ccc(N2CCN(C(=O)C[NH2+][C@@H](c3ccccc3)C3CC3)CC2)cc1 ZINC000192503784 1432852113 /nfs/dbraw/zinc/85/21/13/1432852113.db2.gz NAWNVXFZPNDJAT-QHCPKHFHSA-N 1 0 379.504 3.085 20 10 GGCDRO CN(C)c1ccc(CNC(=O)C[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)cc1 ZINC000192751313 1432884640 /nfs/dbraw/zinc/88/46/40/1432884640.db2.gz WNWAOLYAIRLRME-DENIHFKCSA-N 1 0 381.520 3.126 20 10 GGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000194067643 1433110805 /nfs/dbraw/zinc/11/08/05/1433110805.db2.gz YXIAAHDWMXZFLP-QGZVFWFLSA-N 1 0 387.549 3.388 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CCCc4cccnc43)cc2F)CC1 ZINC000194309665 1433159169 /nfs/dbraw/zinc/15/91/69/1433159169.db2.gz PVNGECVYNLBEQG-LJQANCHMSA-N 1 0 396.510 3.099 20 10 GGCDRO COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000194457521 1433181278 /nfs/dbraw/zinc/18/12/78/1433181278.db2.gz SCYAGUQSTURGGZ-AEFFLSMTSA-N 1 0 383.492 3.283 20 10 GGCDRO O=C(NCc1ccc(N2CCCC2)cc1)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000194499582 1433187974 /nfs/dbraw/zinc/18/79/74/1433187974.db2.gz MLIQKXPPAABCFH-UHFFFAOYSA-N 1 0 393.535 3.146 20 10 GGCDRO C[N@H+]1C[C@H]2CN(C(=O)C(=O)Nc3ccc(/N=N/c4ccccc4)cc3)C[C@H]2C1 ZINC000194918094 1433264598 /nfs/dbraw/zinc/26/45/98/1433264598.db2.gz MNBQRFLASZRBPQ-YWODRAIWSA-N 1 0 377.448 3.061 20 10 GGCDRO C[C@H](C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1)NC(=O)OC(C)(C)C ZINC000195143222 1433298906 /nfs/dbraw/zinc/29/89/06/1433298906.db2.gz KIGAYTHRAJBGRW-HUUCEWRRSA-N 1 0 381.492 3.226 20 10 GGCDRO CCOCc1cc(C[NH2+]C[C@H](c2ccc(C)o2)N2CCOCC2)ccc1OC ZINC000195264406 1433313111 /nfs/dbraw/zinc/31/31/11/1433313111.db2.gz OTVYZKLEOLQNAS-HXUWFJFHSA-N 1 0 388.508 3.296 20 10 GGCDRO Cc1cc(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)c(C)n1-c1ccccc1Br ZINC000195273817 1433314163 /nfs/dbraw/zinc/31/41/63/1433314163.db2.gz XQAPAYAOPZHDQS-GASCZTMLSA-N 1 0 388.309 3.148 20 10 GGCDRO Cc1cc(C(=O)N2CCN(CC[NH+]3CCCC3)CC2)c(C)n1-c1cccc(C)c1 ZINC000216494260 1433363809 /nfs/dbraw/zinc/36/38/09/1433363809.db2.gz RIONQMYUEPRZRR-UHFFFAOYSA-N 1 0 394.563 3.256 20 10 GGCDRO COc1ccc(N2CC[NH+](CCCNC(=O)/C=C\c3cccc(F)c3)CC2)cc1 ZINC000216751205 1433363990 /nfs/dbraw/zinc/36/39/90/1433363990.db2.gz ZEMMPSJXUNUTAF-WDZFZDKYSA-N 1 0 397.494 3.176 20 10 GGCDRO COc1ccccc1CC(=O)N1CCC([NH2+]Cc2cc(Cl)ccc2O)CC1 ZINC000237124365 1433390108 /nfs/dbraw/zinc/39/01/08/1433390108.db2.gz SHNAGDGCVZZANL-UHFFFAOYSA-N 1 0 388.895 3.378 20 10 GGCDRO COc1ccc(N2CC[NH+](CCCNCc3c(F)cccc3F)CC2)cc1 ZINC000237270916 1433395224 /nfs/dbraw/zinc/39/52/24/1433395224.db2.gz KUKQYWXYTJJAEI-UHFFFAOYSA-N 1 0 375.463 3.275 20 10 GGCDRO COc1ccc(N2CCN(CCC[NH2+]Cc3ccc(OC)c(C)c3)CC2)cc1 ZINC000237272065 1433395252 /nfs/dbraw/zinc/39/52/52/1433395252.db2.gz QZTWZVOXOILZQP-UHFFFAOYSA-N 1 0 383.536 3.314 20 10 GGCDRO COc1ccc(N2CCN(CCC[NH2+]Cc3ccc(F)cc3F)CC2)cc1 ZINC000237271837 1433395285 /nfs/dbraw/zinc/39/52/85/1433395285.db2.gz DPLPAOWYVOULNY-UHFFFAOYSA-N 1 0 375.463 3.275 20 10 GGCDRO C[C@H](CC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1CC[NH2+]CC1 ZINC000237385665 1433399980 /nfs/dbraw/zinc/39/99/80/1433399980.db2.gz MVEFIUYCXOTVNK-NVXWUHKLSA-N 1 0 395.494 3.399 20 10 GGCDRO [NH3+][C@H](CC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccccc1 ZINC000237869299 1433430368 /nfs/dbraw/zinc/43/03/68/1433430368.db2.gz NRKYXAFIISHCQV-VQIMIIECSA-N 1 0 389.446 3.463 20 10 GGCDRO [NH3+][C@H](CC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccccc1 ZINC000237872429 1433430390 /nfs/dbraw/zinc/43/03/90/1433430390.db2.gz NRKYXAFIISHCQV-QFBILLFUSA-N 1 0 389.446 3.463 20 10 GGCDRO Nc1ccc(CCNC(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000237948692 1433436589 /nfs/dbraw/zinc/43/65/89/1433436589.db2.gz KENNEVDHCFHCTD-FQEVSTJZSA-N 1 0 391.437 3.382 20 10 GGCDRO CN1CCCc2cc(CNC(=O)N3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)ccc21 ZINC000246438591 1433612785 /nfs/dbraw/zinc/61/27/85/1433612785.db2.gz NHYZMSGAYCERRX-SIKLNZKXSA-N 1 0 382.552 3.227 20 10 GGCDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)cc1 ZINC000246576993 1433634005 /nfs/dbraw/zinc/63/40/05/1433634005.db2.gz LRWKRPSMQVANEH-FGZHOGPDSA-N 1 0 399.510 3.096 20 10 GGCDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000246819778 1433673976 /nfs/dbraw/zinc/67/39/76/1433673976.db2.gz SIJKZASURNZXJF-WOJBJXKFSA-N 1 0 389.540 3.347 20 10 GGCDRO COc1cccc(C[NH2+][C@@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)c1O ZINC000247878359 1433754740 /nfs/dbraw/zinc/75/47/40/1433754740.db2.gz ZJFOHZKGKVTEAH-OALUTQOASA-N 1 0 376.884 3.216 20 10 GGCDRO C[C@@H]([NH2+]CC(C)(C)N1C[C@@H](C)O[C@H](C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000248024745 1433764163 /nfs/dbraw/zinc/76/41/63/1433764163.db2.gz OQFWLNWXRVNOLO-KZNAEPCWSA-N 1 0 393.547 3.201 20 10 GGCDRO COc1ccc(N2CCCN(CN3C[C@@H](c4ccccc4F)CC3=O)CC2)cc1 ZINC000248375170 1433789474 /nfs/dbraw/zinc/78/94/74/1433789474.db2.gz VXNFBDHXZSOONU-SFHVURJKSA-N 1 0 397.494 3.320 20 10 GGCDRO COc1ccc(O)c([C@H](C)NC(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000248410763 1433800437 /nfs/dbraw/zinc/80/04/37/1433800437.db2.gz YGHVIUAKHWXOCX-JYJNAYRXSA-N 1 0 375.513 3.414 20 10 GGCDRO COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000248822671 1433824093 /nfs/dbraw/zinc/82/40/93/1433824093.db2.gz LNQKDAWBNVWENI-GQIGUUNPSA-N 1 0 383.492 3.282 20 10 GGCDRO C[C@@H]1CN(c2ccc(CNC(=O)C[NH2+][C@H]3CCCC3(C)C)cc2F)C[C@@H](C)O1 ZINC000249076710 1433834070 /nfs/dbraw/zinc/83/40/70/1433834070.db2.gz RDGJJKGXLJVJFF-QINHECLXSA-N 1 0 391.531 3.224 20 10 GGCDRO COc1ccc(N2CCC[N@H+](C[C@@H](O)COc3ccccc3Cl)CC2)cc1 ZINC000249737581 1433850441 /nfs/dbraw/zinc/85/04/41/1433850441.db2.gz WPWNHPUKPOQIRL-GOSISDBHSA-N 1 0 390.911 3.301 20 10 GGCDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000249759962 1433851268 /nfs/dbraw/zinc/85/12/68/1433851268.db2.gz GAVYEDNBZAASCL-MSOLQXFVSA-N 1 0 390.597 3.159 20 10 GGCDRO Cc1cc(C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c(C)n1-c1ccccc1C ZINC000261410208 1433895899 /nfs/dbraw/zinc/89/58/99/1433895899.db2.gz CODQGHYDEUQBOI-OAQYLSRUSA-N 1 0 394.563 3.255 20 10 GGCDRO Cn1ccnc1[C@](O)(C[NH2+]Cc1cc(-c2ccccc2)ccc1O)C(F)(F)F ZINC000263694014 1434021813 /nfs/dbraw/zinc/02/18/13/1434021813.db2.gz POVRDWJNRIFNMP-LJQANCHMSA-N 1 0 391.393 3.332 20 10 GGCDRO COC(=O)c1cc(/C=C2/SC(=S)N(CC(C)(C)C[NH+](C)C)C2=O)oc1C ZINC000263883944 1434045399 /nfs/dbraw/zinc/04/53/99/1434045399.db2.gz NUBVZLDNQKUABQ-RIYZIHGNSA-N 1 0 396.534 3.164 20 10 GGCDRO C[NH+](C)[C@H](CNC(=O)/C=C/c1ccc(N2CCOCC2)cc1)c1ccsc1 ZINC000264621385 1434135746 /nfs/dbraw/zinc/13/57/46/1434135746.db2.gz JMQFLGGYMYRJEJ-MUPIXQSSSA-N 1 0 385.533 3.017 20 10 GGCDRO NC(=O)c1ccc(C[NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1 ZINC000266145938 1434306559 /nfs/dbraw/zinc/30/65/59/1434306559.db2.gz IWWDAEICDRTSAF-MRXNPFEDSA-N 1 0 375.419 3.146 20 10 GGCDRO COc1cccc(CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1O ZINC000267363173 1434425956 /nfs/dbraw/zinc/42/59/56/1434425956.db2.gz JIQMXPONYLSLMS-LPHOPBHVSA-N 1 0 383.492 3.111 20 10 GGCDRO COc1cccc(CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1O ZINC000267363191 1434425985 /nfs/dbraw/zinc/42/59/85/1434425985.db2.gz JIQMXPONYLSLMS-VQIMIIECSA-N 1 0 383.492 3.111 20 10 GGCDRO C[C@H]([NH2+]Cc1cccc(C(=O)NC2CC2)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000268803455 1434558988 /nfs/dbraw/zinc/55/89/88/1434558988.db2.gz GWZFJSDSUNMFPN-INIZCTEOSA-N 1 0 397.494 3.405 20 10 GGCDRO COc1ccc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)cc1[N+](=O)[O-] ZINC000268814434 1434560374 /nfs/dbraw/zinc/56/03/74/1434560374.db2.gz JYSCESXRYHZSAF-CQSZACIVSA-N 1 0 389.427 3.430 20 10 GGCDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2ccc(OCC(=O)N(C)C)c(OC)c2)cc1 ZINC000268830041 1434562321 /nfs/dbraw/zinc/56/23/21/1434562321.db2.gz OFVYJSRUJQVPHL-KRWDZBQOSA-N 1 0 399.535 3.469 20 10 GGCDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1cccc(N2CCOCC2)c1 ZINC000268898291 1434568834 /nfs/dbraw/zinc/56/88/34/1434568834.db2.gz VXTCSLUTCYMWOY-SFHVURJKSA-N 1 0 399.510 3.350 20 10 GGCDRO C[C@@H]1CN(c2ccc(CNC(=O)C[C@H]([NH3+])c3ccccc3)cc2F)C[C@H](C)O1 ZINC000269487629 1434652942 /nfs/dbraw/zinc/65/29/42/1434652942.db2.gz IBZNLECJSOBBSS-YRNRMSPPSA-N 1 0 385.483 3.146 20 10 GGCDRO COc1cc(O)c(C[NH+]2CCC(C(=O)NC3CCCCC3)CC2)cc1OC ZINC000271075375 1434800521 /nfs/dbraw/zinc/80/05/21/1434800521.db2.gz GPWWUCOFVJIBCS-UHFFFAOYSA-N 1 0 376.497 3.070 20 10 GGCDRO C[C@@H]([NH2+][C@H]1CCN(Cc2ccccc2)C1=O)c1ccc(N2CCOCC2)c(F)c1 ZINC000271419802 1434823282 /nfs/dbraw/zinc/82/32/82/1434823282.db2.gz BLTLPIGPAKCBLK-UTKZUKDTSA-N 1 0 397.494 3.114 20 10 GGCDRO Cc1cc(C[NH2+][C@H](C)c2cccc(S(=O)(=O)N(C)C)c2)ccc1N(C)C ZINC000271462033 1434826647 /nfs/dbraw/zinc/82/66/47/1434826647.db2.gz HPERNSLCNJSYNG-MRXNPFEDSA-N 1 0 375.538 3.162 20 10 GGCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(C)CC2)cc1)c1cccc(S(N)(=O)=O)c1 ZINC000271686242 1434844212 /nfs/dbraw/zinc/84/42/12/1434844212.db2.gz JXXKRBQOGDMYJS-KRWDZBQOSA-N 1 0 387.549 3.421 20 10 GGCDRO CC[C@@H]([NH2+]Cc1cc(OC)c(OC)cc1O)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000271783726 1434850290 /nfs/dbraw/zinc/85/02/90/1434850290.db2.gz FGNLCQZKHXCHKP-GCJKJVERSA-N 1 0 396.491 3.467 20 10 GGCDRO COc1ccc(O)c(C[N@H+]2CCCN(Cc3csc([C@H](C)OC)n3)CC2)c1 ZINC000271891974 1434857435 /nfs/dbraw/zinc/85/74/35/1434857435.db2.gz XHCKWLYYCDKVHC-HNNXBMFYSA-N 1 0 391.537 3.273 20 10 GGCDRO CO[C@H](C)c1nc(CN2CCC[N@H+](Cc3cc(F)ccc3O)CC2)cs1 ZINC000272441893 1434896557 /nfs/dbraw/zinc/89/65/57/1434896557.db2.gz OQEGTLYSXQWTQF-CQSZACIVSA-N 1 0 379.501 3.403 20 10 GGCDRO CO[C@@H](C)c1nc(CN2CCC[N@H+](Cc3cc(F)ccc3O)CC2)cs1 ZINC000272441884 1434896605 /nfs/dbraw/zinc/89/66/05/1434896605.db2.gz OQEGTLYSXQWTQF-AWEZNQCLSA-N 1 0 379.501 3.403 20 10 GGCDRO COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)/C=C/c2ccc(O)c(O)c2)cc1 ZINC000272575505 1434909701 /nfs/dbraw/zinc/90/97/01/1434909701.db2.gz DJKKTZALJLXRJU-PHRJPNOBSA-N 1 0 382.460 3.073 20 10 GGCDRO CC[C@@H]1C[C@@H](CC(=O)NCc2ccc(N3CC[NH+](CC)CC3)c(F)c2)CCO1 ZINC000272689153 1434922815 /nfs/dbraw/zinc/92/28/15/1434922815.db2.gz CYLPINWTCMRNIG-PKOBYXMFSA-N 1 0 391.531 3.179 20 10 GGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ccccc2OCC(=O)NC[C@H]2CCCO2)c1 ZINC000273361046 1434983021 /nfs/dbraw/zinc/98/30/21/1434983021.db2.gz CZMMAXBFAZHZOY-IEBWSBKVSA-N 1 0 398.503 3.225 20 10 GGCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2ccccc2OCC(=O)NC[C@@H]2CCCO2)c1 ZINC000273361042 1434983062 /nfs/dbraw/zinc/98/30/62/1434983062.db2.gz CZMMAXBFAZHZOY-HKUYNNGSSA-N 1 0 398.503 3.225 20 10 GGCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2ccccc2OCC(=O)NC[C@H]2CCCO2)c1 ZINC000273361054 1434983283 /nfs/dbraw/zinc/98/32/83/1434983283.db2.gz CZMMAXBFAZHZOY-PKOBYXMFSA-N 1 0 398.503 3.225 20 10 GGCDRO C[C@@H]([NH2+]C[C@@](O)(c1nccn1C)C(F)(F)F)c1ccc2ccccc2c1O ZINC000273462823 1434990332 /nfs/dbraw/zinc/99/03/32/1434990332.db2.gz QUQHJKGIEQSLNH-KZULUSFZSA-N 1 0 379.382 3.380 20 10 GGCDRO COC(=O)c1ccc(O)c([C@@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)cn2)c1 ZINC000273502031 1434992934 /nfs/dbraw/zinc/99/29/34/1434992934.db2.gz QGPUWKWBRZOLGV-OAHLLOKOSA-N 1 0 398.507 3.277 20 10 GGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)c2cc(Cl)c3c(c2)OCCO3)c1 ZINC000273569489 1434997260 /nfs/dbraw/zinc/99/72/60/1434997260.db2.gz KHURMOUNDHPMNS-DIFFPNOSSA-N 1 0 379.840 3.210 20 10 GGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)c2cc(Cl)c3c(c2)OCCO3)c1 ZINC000273569487 1434997359 /nfs/dbraw/zinc/99/73/59/1434997359.db2.gz KHURMOUNDHPMNS-APPDUMDISA-N 1 0 379.840 3.210 20 10 GGCDRO C[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273603071 1434999505 /nfs/dbraw/zinc/99/95/05/1434999505.db2.gz SIXYPEORXCHUCS-HNNXBMFYSA-N 1 0 385.464 3.108 20 10 GGCDRO COCCOCCOCCC[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000274399532 1435068103 /nfs/dbraw/zinc/06/81/03/1435068103.db2.gz GLGYDQRWKBQXBF-UHFFFAOYSA-N 1 0 389.492 3.131 20 10 GGCDRO CC[C@@H]([NH2+]Cc1ccccc1OCC(=O)NC[C@H]1CCCO1)c1ccccc1O ZINC000274861257 1435098778 /nfs/dbraw/zinc/09/87/78/1435098778.db2.gz CWYNHRRCUWFBGK-UYAOXDASSA-N 1 0 398.503 3.307 20 10 GGCDRO COc1ccc(N2CCN(C(=O)Nc3ccccc3CC[NH+](C)C)CC2)cc1 ZINC000275664028 1435157753 /nfs/dbraw/zinc/15/77/53/1435157753.db2.gz OHLAEPPKOAEXFI-UHFFFAOYSA-N 1 0 382.508 3.153 20 10 GGCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000275666612 1435158135 /nfs/dbraw/zinc/15/81/35/1435158135.db2.gz OOUODEMTIIBMIA-UHFFFAOYSA-N 1 0 396.535 3.291 20 10 GGCDRO CCOC1CC(C[NH2+]Cc2cc(-c3ccccc3)ccc2O)(N2CCOCC2)C1 ZINC000277817917 1435333199 /nfs/dbraw/zinc/33/31/99/1435333199.db2.gz ZOTJRZMKBCDSKR-UHFFFAOYSA-N 1 0 396.531 3.419 20 10 GGCDRO COc1c([O-])c(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000278512521 1435396212 /nfs/dbraw/zinc/39/62/12/1435396212.db2.gz QCUBAMVOGHYWQM-YJBOKZPZSA-N 1 0 385.464 3.309 20 10 GGCDRO COc1c(O)c(CNc2ccccc2C[NH+]2CCSCC2)ccc1[N+](=O)[O-] ZINC000278893925 1435436526 /nfs/dbraw/zinc/43/65/26/1435436526.db2.gz QCUUSHPVKVETSC-UHFFFAOYSA-N 1 0 389.477 3.470 20 10 GGCDRO COc1cc(O)c(C[NH2+]CCC2=CCN(C(=O)OC(C)(C)C)CC2)cc1OC ZINC000279682017 1435528805 /nfs/dbraw/zinc/52/88/05/1435528805.db2.gz JCKZFJVHFLWYKG-UHFFFAOYSA-N 1 0 392.496 3.456 20 10 GGCDRO CN(C)c1ccc(C[NH2+]Cc2ccc(N3CCOCC3)nc2)c(C(F)(F)F)c1 ZINC000280024826 1435578928 /nfs/dbraw/zinc/57/89/28/1435578928.db2.gz UGOLFMYRQMBOIL-UHFFFAOYSA-N 1 0 394.441 3.293 20 10 GGCDRO CN(C)c1ccc(C[NH+]2CCC([C@@H](O)c3nccn3C)CC2)c(C(F)(F)F)c1 ZINC000280096994 1435592231 /nfs/dbraw/zinc/59/22/31/1435592231.db2.gz BEPZRTCOGLMJDE-GOSISDBHSA-N 1 0 396.457 3.451 20 10 GGCDRO COc1cc(O)c(C[NH2+][C@H](CO)c2ccccc2OC(F)(F)F)cc1OC ZINC000280159132 1435601274 /nfs/dbraw/zinc/60/12/74/1435601274.db2.gz FDYOPKOYASRETJ-CYBMUJFWSA-N 1 0 387.354 3.131 20 10 GGCDRO CCOc1cccc(C[NH2+][C@@H](c2ccc(C)cc2)[C@H](C)S(C)(=O)=O)c1O ZINC000280796019 1435722140 /nfs/dbraw/zinc/72/21/40/1435722140.db2.gz RPOHTXQBEUNWLR-HNAYVOBHSA-N 1 0 377.506 3.363 20 10 GGCDRO CN(C)c1ccc(CNC2CC[NH+](C[C@@H]3CCOC3)CC2)c(C(F)(F)F)c1 ZINC000280996872 1435753344 /nfs/dbraw/zinc/75/33/44/1435753344.db2.gz VPDMHBKWRPTKJY-HNNXBMFYSA-N 1 0 385.474 3.362 20 10 GGCDRO C[C@@H]([NH2+]C[C@H]1CCn2ncc(C(N)=O)c2C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000281244060 1435800452 /nfs/dbraw/zinc/80/04/52/1435800452.db2.gz VKHIEYISJGPHRB-CVEARBPZSA-N 1 0 399.514 3.025 20 10 GGCDRO COCCCn1nccc1C[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000282595677 1435852988 /nfs/dbraw/zinc/85/29/88/1435852988.db2.gz HHNXRCZBBCSVRI-MRXNPFEDSA-N 1 0 394.466 3.280 20 10 GGCDRO C[C@H]([NH2+]CC1(OCCO)CCOCC1)c1ccc(N2CCCCCC2)cc1 ZINC000282744531 1435858751 /nfs/dbraw/zinc/85/87/51/1435858751.db2.gz NIFYJQMSCAIWFV-IBGZPJMESA-N 1 0 376.541 3.276 20 10 GGCDRO COc1cc(Cl)cc(C[NH2+][C@H]2CCN(C(=O)Nc3ccccc3)C2)c1O ZINC000283024852 1435870986 /nfs/dbraw/zinc/87/09/86/1435870986.db2.gz MOYLCNLDKDWDKW-INIZCTEOSA-N 1 0 375.856 3.450 20 10 GGCDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000283602554 1435897403 /nfs/dbraw/zinc/89/74/03/1435897403.db2.gz MJDVAZZZZCJCAX-UHFFFAOYSA-N 1 0 397.519 3.264 20 10 GGCDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000283653629 1435899526 /nfs/dbraw/zinc/89/95/26/1435899526.db2.gz UCYYLVRULOIYHQ-OAQYLSRUSA-N 1 0 393.531 3.117 20 10 GGCDRO CCCCN(Cc1ccccc1O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000283692548 1435905148 /nfs/dbraw/zinc/90/51/48/1435905148.db2.gz PILLHLXMLBOQTR-SFHVURJKSA-N 1 0 389.540 3.205 20 10 GGCDRO COCC1(C[NH2+]Cc2cccc(OC)c2O)CCN(C(=O)OC(C)(C)C)CC1 ZINC000283824161 1435930659 /nfs/dbraw/zinc/93/06/59/1435930659.db2.gz DFRGGPHJOOFWLK-UHFFFAOYSA-N 1 0 394.512 3.154 20 10 GGCDRO C[C@H]([NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C(C)(C)n1cncn1 ZINC000284231845 1436005828 /nfs/dbraw/zinc/00/58/28/1436005828.db2.gz URHBMQSPPJKMIV-GJZGRUSLSA-N 1 0 379.455 3.262 20 10 GGCDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C(C)(C)n1cncn1 ZINC000284231849 1436005944 /nfs/dbraw/zinc/00/59/44/1436005944.db2.gz URHBMQSPPJKMIV-HUUCEWRRSA-N 1 0 379.455 3.262 20 10 GGCDRO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2cc(OC)c(OC)cc2O)cc1 ZINC000284299608 1436011293 /nfs/dbraw/zinc/01/12/93/1436011293.db2.gz BNVFVWSAEMMKGB-CYBMUJFWSA-N 1 0 379.478 3.054 20 10 GGCDRO C[C@@H]([NH2+][C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C)c1ccc(N2CCCCC2)cc1 ZINC000284804314 1436051411 /nfs/dbraw/zinc/05/14/11/1436051411.db2.gz KSPULORYFUZYIS-HCLVMJGWSA-N 1 0 395.551 3.423 20 10 GGCDRO O=C([O-])c1cccc(C[NH2+]Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)c1 ZINC000840994631 979292556 /nfs/dbraw/zinc/29/25/56/979292556.db2.gz CKGAPKPSPVLYMR-UHFFFAOYSA-N 1 0 379.504 3.207 20 10 GGCDRO C[C@H](C[N@H+](Cc1ccccc1)Cc1ccc(N2CC[NH+](C)CC2)cc1)C(=O)[O-] ZINC000901578608 980390730 /nfs/dbraw/zinc/39/07/30/980390730.db2.gz AIUDVOISRBRVGE-LJQANCHMSA-N 1 0 381.520 3.161 20 10 GGCDRO CC[C@H]([NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)C1(C(=O)[O-])CCC1 ZINC001595299884 980432114 /nfs/dbraw/zinc/43/21/14/980432114.db2.gz INOWSQZWEZPAGG-NRFANRHFSA-N 1 0 385.552 3.342 20 10 GGCDRO CC[C@H](c1ccccc1)[N@H+](CC(=O)[O-])Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001595363206 980779834 /nfs/dbraw/zinc/77/98/34/980779834.db2.gz YBSBKDIAWCIXAF-JOCHJYFZSA-N 1 0 381.520 3.476 20 10 GGCDRO C[C@H]([NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1cc(C(=O)[O-])co1 ZINC001593298817 994716375 /nfs/dbraw/zinc/71/63/75/994716375.db2.gz NCEWIYRBYRTJRB-INIZCTEOSA-N 1 0 383.492 3.361 20 10 GGCDRO COc1cc(O)c(C[NH2+][C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)cc1OC ZINC000776175780 1126109404 /nfs/dbraw/zinc/10/94/04/1126109404.db2.gz RBZMAHJVRNEZRT-RDTXWAMCSA-N 1 0 385.382 3.034 20 10 GGCDRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2cc(Cl)cc(OC)c2O)cc1OC ZINC000877830802 1126123071 /nfs/dbraw/zinc/12/30/71/1126123071.db2.gz KYJKIOCUTSEDBB-HXUWFJFHSA-N 1 0 395.883 3.155 20 10 GGCDRO COc1ccccc1C[C@@](C)(CO)[NH2+]Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000931605251 1126137039 /nfs/dbraw/zinc/13/70/39/1126137039.db2.gz JVJTXTXYJADPJU-DEOSSOPVSA-N 1 0 398.547 3.394 20 10 GGCDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3ccc(C)cc3C)CC2)cc1 ZINC000011853437 221132694 /nfs/dbraw/zinc/13/26/94/221132694.db2.gz FMFJHPQDFGYALZ-UHFFFAOYSA-N 1 0 381.520 3.254 20 10 GGCDRO COc1ccc(N2CC[NH+](CCCNC(=O)Nc3ccc(C)cc3)CC2)cc1 ZINC000012557371 221206843 /nfs/dbraw/zinc/20/68/43/221206843.db2.gz VWGFYINBNOZXTP-UHFFFAOYSA-N 1 0 382.508 3.337 20 10 GGCDRO O=C(C1CC1)N1CC[NH+](Cc2c(O)ccc3cc(Br)ccc32)CC1 ZINC000023732264 564326241 /nfs/dbraw/zinc/32/62/41/564326241.db2.gz RQHAMDHACMEUIP-UHFFFAOYSA-N 1 0 389.293 3.362 20 10 GGCDRO COc1cc(Br)cc(C[NH2+][C@H]2CCO[C@]3(CCSC3)C2)c1O ZINC000151375969 564917019 /nfs/dbraw/zinc/91/70/19/564917019.db2.gz WQSUJYWJMNGJLB-XJKSGUPXSA-N 1 0 388.327 3.308 20 10 GGCDRO Cc1cc(Br)cc(C[NH2+][C@H](CS(C)(=O)=O)c2ccccc2)c1O ZINC000154996641 565059189 /nfs/dbraw/zinc/05/91/89/565059189.db2.gz WJVSNJFVGRIBSX-MRXNPFEDSA-N 1 0 398.322 3.339 20 10 GGCDRO CC[C@H]([NH2+]Cc1cccc(OCC(N)=O)c1)c1cc(Br)ccc1O ZINC000156073794 565074814 /nfs/dbraw/zinc/07/48/14/565074814.db2.gz WLVZHEMROSYMTA-INIZCTEOSA-N 1 0 393.281 3.260 20 10 GGCDRO CCN(Cc1cc(Br)ccc1O)C(=O)NC1CC[NH+](CC)CC1 ZINC000266649093 565087579 /nfs/dbraw/zinc/08/75/79/565087579.db2.gz FDAJXYZCMGXRET-UHFFFAOYSA-N 1 0 384.318 3.171 20 10 GGCDRO CC[C@@H]([NH2+]C[C@H]1COC2(CCOCC2)O1)c1cc(Br)ccc1O ZINC000157499140 565133752 /nfs/dbraw/zinc/13/37/52/565133752.db2.gz UPJPFBZTFYUHDX-DZGCQCFKSA-N 1 0 386.286 3.118 20 10 GGCDRO CC[C@@H]([NH2+]C[C@@H]1COC2(CCOCC2)O1)c1cc(Br)ccc1O ZINC000157498853 565133796 /nfs/dbraw/zinc/13/37/96/565133796.db2.gz UPJPFBZTFYUHDX-UKRRQHHQSA-N 1 0 386.286 3.118 20 10 GGCDRO CC[C@H]([NH2+]C[C@H]1COC2(CCOCC2)O1)c1cc(Br)ccc1O ZINC000157498984 565133876 /nfs/dbraw/zinc/13/38/76/565133876.db2.gz UPJPFBZTFYUHDX-ZFWWWQNUSA-N 1 0 386.286 3.118 20 10 GGCDRO Cc1cc(C[NH2+]Cc2cc(Br)cc(C)c2O)nc(N2CCCC2)n1 ZINC000292823086 565135791 /nfs/dbraw/zinc/13/57/91/565135791.db2.gz QEZAULDZJATTIG-UHFFFAOYSA-N 1 0 391.313 3.452 20 10 GGCDRO C[C@@H]([NH2+]Cc1cccnc1N1CCOCC1)c1cc(Br)ccc1O ZINC000184986059 565169378 /nfs/dbraw/zinc/16/93/78/565169378.db2.gz VYJLEJUTIOIGPU-CYBMUJFWSA-N 1 0 392.297 3.237 20 10 GGCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccnc(Br)c1 ZINC000293514035 565172845 /nfs/dbraw/zinc/17/28/45/565172845.db2.gz OLZDCRQMISCZFU-UHFFFAOYSA-N 1 0 376.298 3.313 20 10 GGCDRO COc1cc(O)c(C[N@H+](C)C[C@H](O)c2ccccc2Br)cc1OC ZINC000294806525 565229591 /nfs/dbraw/zinc/22/95/91/565229591.db2.gz IXLQGIBFEBLTRK-INIZCTEOSA-N 1 0 396.281 3.337 20 10 GGCDRO COc1cc(O)c(C[N@H+](C)C[C@@H](O)c2ccccc2Br)cc1OC ZINC000294806526 565229626 /nfs/dbraw/zinc/22/96/26/565229626.db2.gz IXLQGIBFEBLTRK-MRXNPFEDSA-N 1 0 396.281 3.337 20 10 GGCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCN(c3cnn(C)c3)C2)c1O ZINC000372418119 565235864 /nfs/dbraw/zinc/23/58/64/565235864.db2.gz SDIAWYKGWNARIZ-GXTWGEPZSA-N 1 0 379.302 3.126 20 10 GGCDRO Cc1cc(Br)cc(C[NH2+][C@@H](CO)C[C@@H](O)c2ccccc2)c1O ZINC000271869439 565270887 /nfs/dbraw/zinc/27/08/87/565270887.db2.gz XGIKGZCGAVQYFP-IAGOWNOFSA-N 1 0 380.282 3.037 20 10 GGCDRO CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000273041873 565305192 /nfs/dbraw/zinc/30/51/92/565305192.db2.gz WHXLQUOJMKHDNW-CYBMUJFWSA-N 1 0 396.329 3.337 20 10 GGCDRO CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000374076594 565318860 /nfs/dbraw/zinc/31/88/60/565318860.db2.gz FGRBSQPIYZNVKV-HOTGVXAUSA-N 1 0 396.329 3.313 20 10 GGCDRO Cc1cc(Br)cc([C@H](C)[NH2+]Cc2cccc(OCC(N)=O)c2)c1O ZINC000187259026 565319167 /nfs/dbraw/zinc/31/91/67/565319167.db2.gz DTXZKXXRTWAFPH-LBPRGKRZSA-N 1 0 393.281 3.178 20 10 GGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]Cc2cccc(OCC(N)=O)c2)c1O ZINC000187259013 565319514 /nfs/dbraw/zinc/31/95/14/565319514.db2.gz DTXZKXXRTWAFPH-GFCCVEGCSA-N 1 0 393.281 3.178 20 10 GGCDRO C[C@H]([NH2+][C@H](CO)C[C@H](O)c1ccccc1)c1cc(Br)ccc1O ZINC000273455229 565321191 /nfs/dbraw/zinc/32/11/91/565321191.db2.gz GYYVFBVQDIMLIW-QITLCBANSA-N 1 0 380.282 3.290 20 10 GGCDRO C[C@H]([NH2+]Cc1ccc(NS(C)(=O)=O)cc1)c1ccc(Br)cc1O ZINC000273437550 565321380 /nfs/dbraw/zinc/32/13/80/565321380.db2.gz XMCQAUZBHWEYDB-NSHDSACASA-N 1 0 399.310 3.377 20 10 GGCDRO C[C@H]([NH2+][C@@H](CO)C[C@@H](O)c1ccccc1)c1ccc(Br)cc1O ZINC000273533175 565324909 /nfs/dbraw/zinc/32/49/09/565324909.db2.gz WTMBBOQCFNEGIA-XGWLTEMNSA-N 1 0 380.282 3.290 20 10 GGCDRO C[C@@H]([NH2+]CC1(N2CCCC2)CCOCC1)c1ccc(Br)cc1O ZINC000273587048 565326563 /nfs/dbraw/zinc/32/65/63/565326563.db2.gz OBEUEAIQGXNQEL-CQSZACIVSA-N 1 0 383.330 3.450 20 10 GGCDRO COCCC(=O)N1CCC([NH2+][C@H](C)c2cc(Br)cc(C)c2O)CC1 ZINC000187377665 565327388 /nfs/dbraw/zinc/32/73/88/565327388.db2.gz WHDGOEXHKSYUAE-CYBMUJFWSA-N 1 0 399.329 3.141 20 10 GGCDRO C[NH+](C)CC(C)(C)CN1C(=O)/C(=C\c2csc([N+](=O)[O-])c2)SC1=S ZINC000170738261 565389629 /nfs/dbraw/zinc/38/96/29/565389629.db2.gz TXRSFWQMCYNMSW-VZUCSPMQSA-N 1 0 385.536 3.445 20 10 GGCDRO Cc1cc(Br)cc(C[NH2+][C@H]2CCCO[C@@H]2c2nccn2C)c1O ZINC000275399711 565408377 /nfs/dbraw/zinc/40/83/77/565408377.db2.gz CJTIYNTTXLGNER-HOCLYGCPSA-N 1 0 380.286 3.207 20 10 GGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CCCCCS(C)(=O)=O)c1O ZINC000275401541 565408549 /nfs/dbraw/zinc/40/85/49/565408549.db2.gz ZXPDXYFTOONSHR-GFCCVEGCSA-N 1 0 378.332 3.329 20 10 GGCDRO Cc1cc(N2CCC([NH2+]Cc3cc(Br)cc(C)c3O)CC2)n[nH]1 ZINC000276010736 565432983 /nfs/dbraw/zinc/43/29/83/565432983.db2.gz OMEMJYUPPZWSSA-UHFFFAOYSA-N 1 0 379.302 3.253 20 10 GGCDRO C[C@H]([NH2+]C1CCN(c2cccnn2)CC1)c1cc(Br)ccc1O ZINC000277110546 565476599 /nfs/dbraw/zinc/47/65/99/565476599.db2.gz MLCCQVGVPXRMSJ-LBPRGKRZSA-N 1 0 377.286 3.264 20 10 GGCDRO CC(C)(C)[NH+]1CCC(NC(=O)NCc2cccc(Br)c2O)CC1 ZINC000277317022 565489122 /nfs/dbraw/zinc/48/91/22/565489122.db2.gz DELPDXCFYQABMX-UHFFFAOYSA-N 1 0 384.318 3.217 20 10 GGCDRO Cc1cc(Br)cc(C[N@H+]2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)c1O ZINC000378440229 565528053 /nfs/dbraw/zinc/52/80/53/565528053.db2.gz AMCLPIROGLCEET-SJORKVTESA-N 1 0 394.313 3.285 20 10 GGCDRO COc1c(O)c(C[NH2+][C@@H](C)c2ccc(Br)cn2)ccc1[N+](=O)[O-] ZINC000279682014 565626579 /nfs/dbraw/zinc/62/65/79/565626579.db2.gz JCHUNWCVOODWGC-VIFPVBQESA-N 1 0 382.214 3.317 20 10 GGCDRO CCOCc1cc(C[NH2+]Cc2ccc(S(=O)(=O)CC)s2)ccc1OC ZINC000280566168 565681647 /nfs/dbraw/zinc/68/16/47/565681647.db2.gz LHCDNPFYTOXJIW-UHFFFAOYSA-N 1 0 383.535 3.377 20 10 GGCDRO CCN(Cc1cc(Br)ccc1O)C(=O)C1CC[NH+](C2CC2)CC1 ZINC000194749813 565833511 /nfs/dbraw/zinc/83/35/11/565833511.db2.gz MLLFNJWABZEUKZ-UHFFFAOYSA-N 1 0 381.314 3.378 20 10 GGCDRO C[C@H]([NH2+]CC1(S(C)(=O)=O)CCCC1)c1ccc(Br)cc1O ZINC000285553888 565914756 /nfs/dbraw/zinc/91/47/56/565914756.db2.gz FFKNBKXTAFNSMC-NSHDSACASA-N 1 0 376.316 3.163 20 10 GGCDRO CC[C@@H]([NH2+]C[C@@H]1CCCS(=O)(=O)C1)c1cc(Br)ccc1O ZINC000286911021 565985811 /nfs/dbraw/zinc/98/58/11/565985811.db2.gz FBEPWTSCCOQLKS-SMDDNHRTSA-N 1 0 376.316 3.020 20 10 GGCDRO C[C@H]([NH2+][C@@H]1CCCc2c1cnn2CCO)c1ccc(Br)cc1O ZINC000363854007 566024249 /nfs/dbraw/zinc/02/42/49/566024249.db2.gz LMLVRBGYWAMDED-XHDPSFHLSA-N 1 0 380.286 3.072 20 10 GGCDRO Cc1cc(Br)cc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)c1O ZINC000289786768 566140896 /nfs/dbraw/zinc/14/08/96/566140896.db2.gz RVTNLIRZZVBBSI-DGCLKSJQSA-N 1 0 382.220 3.456 20 10 GGCDRO COc1cc(Br)cc(C[NH2+]C2CCN(c3nccs3)CC2)c1O ZINC000366986288 566179403 /nfs/dbraw/zinc/17/94/03/566179403.db2.gz ATZOFNCCTGGERJ-UHFFFAOYSA-N 1 0 398.326 3.378 20 10 GGCDRO Cc1cc(Br)cc(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1O ZINC000367752437 566214251 /nfs/dbraw/zinc/21/42/51/566214251.db2.gz GQLQAJZONUSSGY-IXDOHACOSA-N 1 0 383.330 3.147 20 10 GGCDRO O=S(=O)(c1ccc(C[NH2+]Cc2c(O)cccc2Cl)cc1)N1CCCC1 ZINC000264937108 566228261 /nfs/dbraw/zinc/22/82/61/566228261.db2.gz DONIJJYTXBKBAH-UHFFFAOYSA-N 1 0 380.897 3.120 20 10 GGCDRO C[NH+](C)CCNC(=O)c1ccc(NCc2cc(Br)ccc2O)cc1 ZINC000527765293 567373449 /nfs/dbraw/zinc/37/34/49/567373449.db2.gz UTMKNDOGEYNEBS-UHFFFAOYSA-N 1 0 392.297 3.058 20 10 GGCDRO C[C@H]1CCCCN1C(=O)CN1CC[NH+](Cc2c(O)ccc3ccccc32)CC1 ZINC000029887953 570481872 /nfs/dbraw/zinc/48/18/72/570481872.db2.gz NJPMHTDGBLIOGD-SFHVURJKSA-N 1 0 381.520 3.064 20 10 GGCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)[C@@H]1CCCc3ccccc31)cc2=O ZINC000103509965 570886185 /nfs/dbraw/zinc/88/61/85/570886185.db2.gz GHFVEBKCFKTPTI-GOSISDBHSA-N 1 0 380.448 3.121 20 10 GGCDRO COc1ccc(N2CC[NH+](CCCNC(=O)Nc3ccccc3OC)CC2)cc1 ZINC000004791734 570992693 /nfs/dbraw/zinc/99/26/93/570992693.db2.gz OQMRGCRGGAOMRB-UHFFFAOYSA-N 1 0 398.507 3.038 20 10 GGCDRO Cc1cc(O)c(C[NH+]2CCC(Oc3cccc(-c4nn[nH]n4)c3)CC2)cc1C ZINC000737281019 598243504 /nfs/dbraw/zinc/24/35/04/598243504.db2.gz YKIKVJOMWHKHTH-UHFFFAOYSA-N 1 0 379.464 3.233 20 10 GGCDRO COc1ccc(N2CCC[N@@H+]([C@H](C)c3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000737099626 599312299 /nfs/dbraw/zinc/31/22/99/599312299.db2.gz ODYJGCNIQMHSQW-MRXNPFEDSA-N 1 0 378.480 3.149 20 10 GGCDRO O=C([O-])c1cc2ccccc2c(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c1O ZINC000740097590 600426545 /nfs/dbraw/zinc/42/65/45/600426545.db2.gz MUFDTIOCPOYTEZ-UHFFFAOYSA-N 1 0 398.503 3.178 20 10 GGCDRO Cc1cc(C)c(O)c(C[NH+]2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000826263852 607846513 /nfs/dbraw/zinc/84/65/13/607846513.db2.gz SOBJPNJSPWIBOI-UHFFFAOYSA-N 1 0 379.464 3.233 20 10 GGCDRO CC(=O)c1cc(Cl)cc(C[NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)c1O ZINC000824010352 608530295 /nfs/dbraw/zinc/53/02/95/608530295.db2.gz KCYMSJMEAJMONB-UHFFFAOYSA-N 1 0 383.839 3.207 20 10 GGCDRO CCC[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1ccc(N2CCOCC2)cc1 ZINC000825319169 608547512 /nfs/dbraw/zinc/54/75/12/608547512.db2.gz ZVMCWHDJCYVFCV-UHFFFAOYSA-N 1 0 392.507 3.116 20 10 GGCDRO CCOc1ccc(C[NH+]2CCC(Oc3cccc(-c4nn[nH]n4)c3)CC2)c(O)c1 ZINC000825638393 608603456 /nfs/dbraw/zinc/60/34/56/608603456.db2.gz KRBUOXRNCVPFRW-UHFFFAOYSA-N 1 0 395.463 3.014 20 10 GGCDRO COc1ccc(N2CCC[N@@H+]([C@H](C)C(=O)N3CCc4sccc4C3)CC2)cc1 ZINC000053774306 1406508420 /nfs/dbraw/zinc/50/84/20/1406508420.db2.gz UMPHZILXYNJCCL-QGZVFWFLSA-N 1 0 399.560 3.242 20 10 GGCDRO CCOc1ccc(-n2c(C)cc(C(=O)CSc3nc(N)cc(N)[nH+]3)c2C)cc1 ZINC000006533174 1398557341 /nfs/dbraw/zinc/55/73/41/1398557341.db2.gz QBENLALPHAELNJ-UHFFFAOYSA-N 1 0 397.504 3.422 20 10 GGCDRO CCOc1ccccc1C(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000011853387 1399015153 /nfs/dbraw/zinc/01/51/53/1399015153.db2.gz FAPZYCGQQRSUQU-UHFFFAOYSA-N 1 0 397.519 3.036 20 10 GGCDRO COc1ccc(N2CCN(CCC[NH2+]Cc3cccc(OC)c3OC)CC2)cc1 ZINC000015186072 1399144146 /nfs/dbraw/zinc/14/41/46/1399144146.db2.gz QOPNGGPGTUSIDM-UHFFFAOYSA-N 1 0 399.535 3.014 20 10 GGCDRO C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000015571779 1399173055 /nfs/dbraw/zinc/17/30/55/1399173055.db2.gz FGXVLFRRYZLPTA-IBGZPJMESA-N 1 0 381.520 3.175 20 10 GGCDRO Oc1ccc2ccncc2c1C[NH+]1CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000021997219 1399429955 /nfs/dbraw/zinc/42/99/55/1399429955.db2.gz YCESRMLRKDRODJ-UHFFFAOYSA-N 1 0 391.471 3.029 20 10 GGCDRO COc1ccc(N2CCN(C(=O)C[N@@H+]3CCC[C@@H]3Cc3ccccc3)CC2)cc1 ZINC000025359888 1399802802 /nfs/dbraw/zinc/80/28/02/1399802802.db2.gz IQTNDMDIGWUCJJ-JOCHJYFZSA-N 1 0 393.531 3.051 20 10 GGCDRO COc1ccc2ccc(O)c(C[NH+]3CCN(C(=O)N4CCCCC4)CC3)c2c1 ZINC000026246624 1399872773 /nfs/dbraw/zinc/87/27/73/1399872773.db2.gz JSNPUDCYSSAEPN-UHFFFAOYSA-N 1 0 383.492 3.278 20 10 GGCDRO O=C(NC1CC1)c1ccc(C[N@@H+](Cc2cc3c(cc2O)OCO3)C2CC2)cc1 ZINC000027538997 1400052126 /nfs/dbraw/zinc/05/21/26/1400052126.db2.gz RLFGSOSHCVWKHG-UHFFFAOYSA-N 1 0 380.444 3.178 20 10 GGCDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3cc(F)ccc3C)CC2)cc1 ZINC000029705614 1400339836 /nfs/dbraw/zinc/33/98/36/1400339836.db2.gz LVGJEDHVTNVGTG-UHFFFAOYSA-N 1 0 385.483 3.085 20 10 GGCDRO COc1ccc(NC(=O)CC[N@@H+]2CCCN(c3ccc(OC)cc3)CC2)cc1 ZINC000055905759 1407128310 /nfs/dbraw/zinc/12/83/10/1407128310.db2.gz CARXPNSZCCBEQE-UHFFFAOYSA-N 1 0 383.492 3.245 20 10 GGCDRO O=C(Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000056479004 1407343581 /nfs/dbraw/zinc/34/35/81/1407343581.db2.gz WCHNUINWFFFQTB-UHFFFAOYSA-N 1 0 380.448 3.379 20 10 GGCDRO CC[C@@H]1CCCN(C(=O)NCCC[NH+]2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000045126671 1404059052 /nfs/dbraw/zinc/05/90/52/1404059052.db2.gz FEGFQRUUVKOMOB-LJQANCHMSA-N 1 0 388.556 3.039 20 10 GGCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000045756300 1404196010 /nfs/dbraw/zinc/19/60/10/1404196010.db2.gz DNEYGJPXQRQXBR-UHFFFAOYSA-N 1 0 395.551 3.344 20 10 GGCDRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)N(C)Cc3ccccc3O)cc2)C[C@H](C)O1 ZINC000045787371 1404204638 /nfs/dbraw/zinc/20/46/38/1404204638.db2.gz FXRHVMSWKBEVCC-HDICACEKSA-N 1 0 397.519 3.343 20 10 GGCDRO CN(C)c1ccc(CN(C)C(=O)NCc2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000045803720 1404208380 /nfs/dbraw/zinc/20/83/80/1404208380.db2.gz SRWTZEKQHQMPLS-UHFFFAOYSA-N 1 0 384.524 3.035 20 10 GGCDRO C[NH+](C)Cc1cccc(CNC(=O)NCc2ccc(N3CCSCC3)cc2)c1 ZINC000046926383 1404637736 /nfs/dbraw/zinc/63/77/36/1404637736.db2.gz QHZUBWLEPGTCTH-UHFFFAOYSA-N 1 0 398.576 3.301 20 10 GGCDRO O=C(C[N@@H+]1CCC[C@@H]1c1ccccc1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000051180592 1405738439 /nfs/dbraw/zinc/73/84/39/1405738439.db2.gz ZJCFFILNIUUPCE-OAQYLSRUSA-N 1 0 397.494 3.116 20 10 GGCDRO CC(C)[C@H]([NH2+]CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccccc1 ZINC000052007063 1405897461 /nfs/dbraw/zinc/89/74/61/1405897461.db2.gz UTVFJHWKYIMLGN-QHCPKHFHSA-N 1 0 399.510 3.265 20 10 GGCDRO CN(C)c1ccc(CNC(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)cc1F ZINC000057646861 1407675636 /nfs/dbraw/zinc/67/56/36/1407675636.db2.gz PTJMCXZXPIDHBA-UHFFFAOYSA-N 1 0 390.478 3.304 20 10 GGCDRO CN(C)c1ccc(CNC(=O)NC2CC[NH+](CC3CCCC3)CC2)cc1F ZINC000058574191 1407846743 /nfs/dbraw/zinc/84/67/43/1407846743.db2.gz NRWNSNLUYYXVAM-UHFFFAOYSA-N 1 0 376.520 3.346 20 10 GGCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](Cc1ccccc1)[C@H](C)C1CC1)cc2=O ZINC000059403083 1407921188 /nfs/dbraw/zinc/92/11/88/1407921188.db2.gz VAQCFZFGLAFUEC-OAHLLOKOSA-N 1 0 394.475 3.412 20 10 GGCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](Cc1ccccc1)[C@@H](C)C1CC1)cc2=O ZINC000059403082 1407921533 /nfs/dbraw/zinc/92/15/33/1407921533.db2.gz VAQCFZFGLAFUEC-HNNXBMFYSA-N 1 0 394.475 3.412 20 10 GGCDRO CN1CCCc2cc(CNC(=O)N(CC[NH+](C)C)Cc3cccs3)ccc21 ZINC000176466205 1428329122 /nfs/dbraw/zinc/32/91/22/1428329122.db2.gz JZFPETCNZLALGT-UHFFFAOYSA-N 1 0 386.565 3.404 20 10 GGCDRO COc1ccc(N2CC[NH+](CCCNC(=O)N3CCC[C@@H]3C(C)C)CC2)cc1 ZINC000064754073 1408608298 /nfs/dbraw/zinc/60/82/98/1408608298.db2.gz XWQHCRSWCWPRIR-OAQYLSRUSA-N 1 0 388.556 3.037 20 10 GGCDRO CN(C)c1ccc(CNC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)cc1 ZINC000065984401 1408767562 /nfs/dbraw/zinc/76/75/62/1408767562.db2.gz YAFRIOIFHWCRPM-UHFFFAOYSA-N 1 0 390.478 3.304 20 10 GGCDRO CCC[NH+]1CCC(N(C)C(=O)NC2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC000066195280 1408789853 /nfs/dbraw/zinc/78/98/53/1408789853.db2.gz WBIBEYMVKSWLKJ-UHFFFAOYSA-N 1 0 388.556 3.180 20 10 GGCDRO CCN1CCN(C(=O)CC2CC[NH+](Cc3c(O)ccc4ccccc43)CC2)CC1 ZINC000066450410 1408840509 /nfs/dbraw/zinc/84/05/09/1408840509.db2.gz ISOPBHTVPQQQJZ-UHFFFAOYSA-N 1 0 395.547 3.312 20 10 GGCDRO CCCN(Cc1ccccc1O)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000066699045 1408889187 /nfs/dbraw/zinc/88/91/87/1408889187.db2.gz UUUQKWSSZGQYFP-UHFFFAOYSA-N 1 0 382.508 3.373 20 10 GGCDRO CCN(CC)[C@H](C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1ccco1 ZINC000066990923 1408973791 /nfs/dbraw/zinc/97/37/91/1408973791.db2.gz XLMOGUAZDLZDSO-HXUWFJFHSA-N 1 0 375.488 3.428 20 10 GGCDRO C[C@H](CNC(=O)NCc1ccc(N2CCSCC2)cc1)[NH+]1CCC(C)CC1 ZINC000067706937 1409211042 /nfs/dbraw/zinc/21/10/42/1409211042.db2.gz TYWOQMYFSLZGPY-GOSISDBHSA-N 1 0 390.597 3.159 20 10 GGCDRO CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+]Cc2ccc(N(C)C)cc2)cc1 ZINC000067977156 1409268199 /nfs/dbraw/zinc/26/81/99/1409268199.db2.gz RHTOYLOAQRWRKV-UHFFFAOYSA-N 1 0 375.538 3.071 20 10 GGCDRO C[C@@H]1CN(C(=O)c2ccc(C[NH2+]Cc3ccc4c(c3)CCO4)cc2)C[C@@H](C)O1 ZINC000067979150 1409269204 /nfs/dbraw/zinc/26/92/04/1409269204.db2.gz WHJFPKYCEJGVBC-IAGOWNOFSA-N 1 0 380.488 3.161 20 10 GGCDRO CC(C)C[NH+]1CCC(NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)CC1 ZINC000068549337 1409435373 /nfs/dbraw/zinc/43/53/73/1409435373.db2.gz KUJGPUVCFXTSJF-SFHVURJKSA-N 1 0 388.556 3.004 20 10 GGCDRO C[C@H](NC(=O)NCC(C)(C)[NH+]1CCCCC1)c1ccc(N2CCOCC2)cc1 ZINC000068549688 1409435852 /nfs/dbraw/zinc/43/58/52/1409435852.db2.gz OTWBDUXXCOOUKD-SFHVURJKSA-N 1 0 388.556 3.148 20 10 GGCDRO CCC[N@H+](CC(=O)Nc1ccc(Br)cn1)Cc1ccccc1O ZINC000068973699 1409536374 /nfs/dbraw/zinc/53/63/74/1409536374.db2.gz ZPSYOEMIOBKMEW-UHFFFAOYSA-N 1 0 378.270 3.400 20 10 GGCDRO O=c1cc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)nc2ccc(Cl)cn12 ZINC000070975917 1409809319 /nfs/dbraw/zinc/80/93/19/1409809319.db2.gz PYRFBEHBARTFSP-SFHVURJKSA-N 1 0 399.878 3.235 20 10 GGCDRO COc1cccc(CNC(=O)NCC2([NH+]3CCCCC3)CCCCC2)c1O ZINC000073442255 1409860884 /nfs/dbraw/zinc/86/08/84/1409860884.db2.gz ZFGCGRSMCJLMJY-UHFFFAOYSA-N 1 0 375.513 3.389 20 10 GGCDRO O=C(c1ccncc1)N1CCC([NH2+]Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000079752306 1409988794 /nfs/dbraw/zinc/98/87/94/1409988794.db2.gz SWVLEILZCCBUEN-UHFFFAOYSA-N 1 0 378.520 3.466 20 10 GGCDRO CON(C)C(=O)[C@H](CCSC)[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000090462840 1410064254 /nfs/dbraw/zinc/06/42/54/1410064254.db2.gz FDSPXELXVPLSFF-APWZRJJASA-N 1 0 379.570 3.469 20 10 GGCDRO C[C@@H]([NH2+]C[C@H]1CCCN1S(C)(=O)=O)c1ccc(N2CCCCCC2)cc1 ZINC000090799391 1410067330 /nfs/dbraw/zinc/06/73/30/1410067330.db2.gz XMCSPNAAFQVVRN-YLJYHZDGSA-N 1 0 379.570 3.142 20 10 GGCDRO COc1ccccc1C[N@H+](CCO)Cc1cc(Br)cc(OC)c1O ZINC000091790172 1410080753 /nfs/dbraw/zinc/08/07/53/1410080753.db2.gz INJNFWZDQYFKSH-UHFFFAOYSA-N 1 0 396.281 3.166 20 10 GGCDRO Cc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)nc1 ZINC000092004738 1410096981 /nfs/dbraw/zinc/09/69/81/1410096981.db2.gz HLFZKSYOXPLMJZ-FQEVSTJZSA-N 1 0 394.519 3.077 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)Nc3ccc4c(c3)COC4)cc2F)CC1 ZINC000092164036 1410114685 /nfs/dbraw/zinc/11/46/85/1410114685.db2.gz XSXJFFFOZKNDFC-UHFFFAOYSA-N 1 0 398.482 3.320 20 10 GGCDRO COc1ccc(N2CCC[N@H+](Cc3ccc(N4CCOCC4)cc3)CC2)cc1 ZINC000092380711 1410148169 /nfs/dbraw/zinc/14/81/69/1410148169.db2.gz ZKCWISBOUSAQKO-UHFFFAOYSA-N 1 0 381.520 3.244 20 10 GGCDRO CN(C)c1ccc(C[N@H+](C)CCCOc2cccc(S(C)(=O)=O)c2)cc1 ZINC000092511811 1410164627 /nfs/dbraw/zinc/16/46/27/1410164627.db2.gz VGUFPPJUPMWWGC-UHFFFAOYSA-N 1 0 376.522 3.057 20 10 GGCDRO CCOc1cccc(C[N@@H+]2CCCN(C(=O)Cc3cccc(F)c3)CC2)c1O ZINC000092535106 1410169017 /nfs/dbraw/zinc/16/90/17/1410169017.db2.gz JWTQBNMJFIORQN-UHFFFAOYSA-N 1 0 386.467 3.207 20 10 GGCDRO CCCOc1ccc(C[N@H+](C)[C@@H](C)c2cccc(S(N)(=O)=O)c2)c(O)c1 ZINC000092585700 1410175153 /nfs/dbraw/zinc/17/51/53/1410175153.db2.gz KWLUBTAEEUIOAV-AWEZNQCLSA-N 1 0 378.494 3.021 20 10 GGCDRO CCCCCCNC(=O)[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000092704863 1410191214 /nfs/dbraw/zinc/19/12/14/1410191214.db2.gz NMAPJLSBVOIVLS-NRFANRHFSA-N 1 0 387.568 3.432 20 10 GGCDRO CCCCCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000092704862 1410192034 /nfs/dbraw/zinc/19/20/34/1410192034.db2.gz NMAPJLSBVOIVLS-OAQYLSRUSA-N 1 0 387.568 3.432 20 10 GGCDRO Cn1cc(C(=O)NCC2CC[NH+](Cc3ccc(N4CCCCC4)cc3)CC2)cn1 ZINC000092759293 1410198314 /nfs/dbraw/zinc/19/83/14/1410198314.db2.gz SSDVHFYPGKRYFY-UHFFFAOYSA-N 1 0 395.551 3.052 20 10 GGCDRO O=C(NC[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1)c1ccccc1 ZINC000092783987 1410199111 /nfs/dbraw/zinc/19/91/11/1410199111.db2.gz JMGPCPSXPYVKEA-NRFANRHFSA-N 1 0 393.531 3.165 20 10 GGCDRO O=C(NC[C@H]1CCCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000092784326 1410200115 /nfs/dbraw/zinc/20/01/15/1410200115.db2.gz QIMWTTMGMNQGPN-HSZRJFAPSA-N 1 0 393.531 3.308 20 10 GGCDRO O=C(Oc1ccccc1)N1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000092938994 1410211138 /nfs/dbraw/zinc/21/11/38/1410211138.db2.gz HTHXDXIYIKUEQJ-UHFFFAOYSA-N 1 0 395.503 3.230 20 10 GGCDRO O=c1cc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)c2ccc(O)cc2o1 ZINC000176798296 1428465810 /nfs/dbraw/zinc/46/58/10/1428465810.db2.gz IJIGQVMZVMETOW-GOSISDBHSA-N 1 0 381.428 3.385 20 10 GGCDRO COCCCOC1CC[NH+](Cc2cc(Br)cc(OC)c2O)CC1 ZINC000093561306 1410253935 /nfs/dbraw/zinc/25/39/35/1410253935.db2.gz ADQAHNIQJUKHMB-UHFFFAOYSA-N 1 0 388.302 3.181 20 10 GGCDRO CN(C[C@@H]1CCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1)C(=O)OC(C)(C)C ZINC000093867691 1410275967 /nfs/dbraw/zinc/27/59/67/1410275967.db2.gz XCACBUKPCBPTLV-FQEVSTJZSA-N 1 0 389.540 3.355 20 10 GGCDRO CN(C[C@H]1CCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1)C(=O)OC(C)(C)C ZINC000093867692 1410276532 /nfs/dbraw/zinc/27/65/32/1410276532.db2.gz XCACBUKPCBPTLV-HXUWFJFHSA-N 1 0 389.540 3.355 20 10 GGCDRO CCc1nsc(N2CCC[N@H+](Cc3cc(Br)ccc3O)CC2)n1 ZINC000093871433 1410277451 /nfs/dbraw/zinc/27/74/51/1410277451.db2.gz DRWXTKRTMFSDBS-UHFFFAOYSA-N 1 0 397.342 3.281 20 10 GGCDRO Cc1cc(C(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)c(C)n1-c1ccccc1C ZINC000097288536 1410363668 /nfs/dbraw/zinc/36/36/68/1410363668.db2.gz FZLUULQJYTWHIN-QHCPKHFHSA-N 1 0 396.579 3.404 20 10 GGCDRO COc1ccc(N2CC[NH+](CCCNc3ncnc4cccc(F)c43)CC2)cc1 ZINC000097497483 1410372491 /nfs/dbraw/zinc/37/24/91/1410372491.db2.gz NUEPJRFMBGMOCX-UHFFFAOYSA-N 1 0 395.482 3.402 20 10 GGCDRO Cc1ccc([C@@H](CNC(=O)NCc2ccc(N(C)C)c(F)c2)[NH+]2CCCC2)o1 ZINC000101620920 1410481496 /nfs/dbraw/zinc/48/14/96/1410481496.db2.gz JCTPQRXEHIMFNP-LJQANCHMSA-N 1 0 388.487 3.429 20 10 GGCDRO Cc1ccc([C@H](CNC(=O)NCc2ccc(N(C)C)c(F)c2)[NH+]2CCCC2)o1 ZINC000101620924 1410481528 /nfs/dbraw/zinc/48/15/28/1410481528.db2.gz JCTPQRXEHIMFNP-IBGZPJMESA-N 1 0 388.487 3.429 20 10 GGCDRO COc1ccc(N2CCC([NH2+][C@@H](C(=O)NC3CC3)c3ccccc3)CC2)cc1 ZINC000102416426 1410624174 /nfs/dbraw/zinc/62/41/74/1410624174.db2.gz URRQNNZNSNEEIN-JOCHJYFZSA-N 1 0 379.504 3.274 20 10 GGCDRO CN(C)c1ccc(CN(C)C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)cc1 ZINC000103319149 1410847054 /nfs/dbraw/zinc/84/70/54/1410847054.db2.gz USXOQKFGWVEMHK-JOCHJYFZSA-N 1 0 394.563 3.459 20 10 GGCDRO COc1ccc(O)c([C@H](C)NC(=O)NC2CC[NH+](CC3CCCC3)CC2)c1 ZINC000103514727 1410865395 /nfs/dbraw/zinc/86/53/95/1410865395.db2.gz LLXVSEJXOPPCPG-HNNXBMFYSA-N 1 0 375.513 3.416 20 10 GGCDRO COc1ccc(O)c([C@@H](C)NC(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)c1 ZINC000103515626 1410865723 /nfs/dbraw/zinc/86/57/23/1410865723.db2.gz SBXBLVRFVNRUGW-CRAIPNDOSA-N 1 0 387.480 3.500 20 10 GGCDRO COc1ccc(O)c([C@H](C)NC(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)c1 ZINC000103515623 1410865814 /nfs/dbraw/zinc/86/58/14/1410865814.db2.gz SBXBLVRFVNRUGW-MAUKXSAKSA-N 1 0 387.480 3.500 20 10 GGCDRO COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)c1 ZINC000103515627 1410865834 /nfs/dbraw/zinc/86/58/34/1410865834.db2.gz SBXBLVRFVNRUGW-QAPCUYQASA-N 1 0 387.480 3.500 20 10 GGCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+]C1(c3cccc(C)c3)CCCC1)cc2=O ZINC000104076795 1410883956 /nfs/dbraw/zinc/88/39/56/1410883956.db2.gz PUXZHCVRHXRNJS-UHFFFAOYSA-N 1 0 394.475 3.479 20 10 GGCDRO CC(C)[C@H](CNC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)[NH+]1CCCC1 ZINC000105194126 1411040689 /nfs/dbraw/zinc/04/06/89/1411040689.db2.gz MYDNGHUXRIZPAV-NQIIRXRSSA-N 1 0 388.556 3.004 20 10 GGCDRO C[C@H](CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)[N@H+](C)C1CC1 ZINC000105228889 1411044879 /nfs/dbraw/zinc/04/48/79/1411044879.db2.gz RCBHQPKEDRPJMP-CQSZACIVSA-N 1 0 396.482 3.039 20 10 GGCDRO COc1ccc(N2CCCN(C(=O)NC[C@@H]3CCC[N@@H+](C(C)C)C3)CC2)cc1 ZINC000105272727 1411048854 /nfs/dbraw/zinc/04/88/54/1411048854.db2.gz ZOROKQMFJDRRBZ-IBGZPJMESA-N 1 0 388.556 3.037 20 10 GGCDRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+]Cc2ccc3c(c2)CCO3)s1 ZINC000105431314 1411065889 /nfs/dbraw/zinc/06/58/89/1411065889.db2.gz LJXACYYOEXHUGL-UHFFFAOYSA-N 1 0 394.562 3.046 20 10 GGCDRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+]Cc2ccc(N(C)C)cc2)s1 ZINC000105431462 1411065901 /nfs/dbraw/zinc/06/59/01/1411065901.db2.gz JZHAHTCBFPYQDV-UHFFFAOYSA-N 1 0 395.594 3.177 20 10 GGCDRO COc1cccc(C[NH2+]C[C@@H](c2cccc(Cl)c2)N2CCOCC2)c1O ZINC000105485844 1411071275 /nfs/dbraw/zinc/07/12/75/1411071275.db2.gz CDKYMZZCPDOADR-SFHVURJKSA-N 1 0 376.884 3.217 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)Nc3ccnn3C(C)C)cc2F)CC1 ZINC000106506604 1411226390 /nfs/dbraw/zinc/22/63/90/1411226390.db2.gz ZCRKDCPWZHOABC-UHFFFAOYSA-N 1 0 388.491 3.067 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)Nc3nc(C)cs3)cc2F)CC1 ZINC000106506600 1411226425 /nfs/dbraw/zinc/22/64/25/1411226425.db2.gz ZTBPJKZEBZCNRD-UHFFFAOYSA-N 1 0 377.489 3.054 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CCc4ccccc43)cc2F)CC1 ZINC000106584807 1411258040 /nfs/dbraw/zinc/25/80/40/1411258040.db2.gz FODPKTFCSSTQQH-UHFFFAOYSA-N 1 0 382.483 3.240 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)CCc3ccccc3OC)cc2F)CC1 ZINC000106702072 1411280113 /nfs/dbraw/zinc/28/01/13/1411280113.db2.gz GWIQSNYJTWYMBP-UHFFFAOYSA-N 1 0 399.510 3.225 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3ccc(OC)cc3F)cc2F)CC1 ZINC000106702181 1411280348 /nfs/dbraw/zinc/28/03/48/1411280348.db2.gz MYWGRPPXTILVKS-UHFFFAOYSA-N 1 0 389.446 3.045 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3ccccc3COC)cc2F)CC1 ZINC000106702461 1411280651 /nfs/dbraw/zinc/28/06/51/1411280651.db2.gz NMIIUZKLXINITI-UHFFFAOYSA-N 1 0 385.483 3.044 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@H](C)Oc3ccccc3)cc2F)CC1 ZINC000106702639 1411280715 /nfs/dbraw/zinc/28/07/15/1411280715.db2.gz HPVZZMGPBYAYPX-KRWDZBQOSA-N 1 0 385.483 3.051 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3cc(C(C)=O)cs3)cc2F)CC1 ZINC000106702814 1411280757 /nfs/dbraw/zinc/28/07/57/1411280757.db2.gz YJBSSEWBHXGCSV-UHFFFAOYSA-N 1 0 389.496 3.162 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H](C)OCCC(C)C)cc2F)CC1 ZINC000106702583 1411281209 /nfs/dbraw/zinc/28/12/09/1411281209.db2.gz PJAISTOOUCGIQD-QGZVFWFLSA-N 1 0 379.520 3.035 20 10 GGCDRO CC[NH+]1CCN([C@@H]2CCN(C(=O)c3sccc3-n3c(C)ccc3C)C2)CC1 ZINC000106805893 1411304398 /nfs/dbraw/zinc/30/43/98/1411304398.db2.gz YMZBUBYCHCAXNA-GOSISDBHSA-N 1 0 386.565 3.008 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)CCC(=O)c3ccccc3)cc2F)CC1 ZINC000106829835 1411308339 /nfs/dbraw/zinc/30/83/39/1411308339.db2.gz NIOXBVFZUOLHGL-UHFFFAOYSA-N 1 0 397.494 3.247 20 10 GGCDRO Cc1cc(C(=O)N2CCN(CC[NH+]3CCCC3)CC2)c(C)n1-c1ccccc1C ZINC000177016673 1428554994 /nfs/dbraw/zinc/55/49/94/1428554994.db2.gz YUPPZBFIVAZOCE-UHFFFAOYSA-N 1 0 394.563 3.256 20 10 GGCDRO O[C@@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1)c1cccc(C(F)(F)F)c1 ZINC000107713584 1411401087 /nfs/dbraw/zinc/40/10/87/1411401087.db2.gz QXCNCGQZSNTXQD-IBGZPJMESA-N 1 0 380.410 3.365 20 10 GGCDRO COc1ccc(C(=O)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)c(O)c1 ZINC000108954263 1411648253 /nfs/dbraw/zinc/64/82/53/1411648253.db2.gz KEOOMFDWTHEYRY-UHFFFAOYSA-N 1 0 381.476 3.185 20 10 GGCDRO CC(C)[C@@H](NC(=O)C[N@H+](C)Cc1ccccc1O)c1ccc2c(c1)OCCCO2 ZINC000109771662 1411808991 /nfs/dbraw/zinc/80/89/91/1411808991.db2.gz IBRVKMZKHAPSSR-HSZRJFAPSA-N 1 0 398.503 3.499 20 10 GGCDRO COc1ccc([C@H]2CCCN2C(=O)C[N@H+](C)Cc2ccccc2O)c(OC)c1 ZINC000109772003 1411809348 /nfs/dbraw/zinc/80/93/48/1411809348.db2.gz PMMPZLVJEHPXPV-LJQANCHMSA-N 1 0 384.476 3.205 20 10 GGCDRO CCN(CC)C(=O)c1cccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccccc2O)c1 ZINC000109773683 1411809517 /nfs/dbraw/zinc/80/95/17/1411809517.db2.gz ZUBDBJLEBOHIJS-MRXNPFEDSA-N 1 0 383.492 3.333 20 10 GGCDRO COc1ccc(OC)c([C@H]2CCCN2C(=O)C[N@H+](C)Cc2ccccc2O)c1 ZINC000109773489 1411809535 /nfs/dbraw/zinc/80/95/35/1411809535.db2.gz HYTKKHGHBKVSFB-LJQANCHMSA-N 1 0 384.476 3.205 20 10 GGCDRO Cc1cc(C(=O)N(C)CCCN2CC[NH+](C)CC2)c(C)n1-c1ccccc1C ZINC000110865371 1411874163 /nfs/dbraw/zinc/87/41/63/1411874163.db2.gz HDTNRSWODQYAPE-UHFFFAOYSA-N 1 0 382.552 3.112 20 10 GGCDRO C[N@H+](CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2)Cc1ccccc1O ZINC000111235145 1411896974 /nfs/dbraw/zinc/89/69/74/1411896974.db2.gz JRBYAXPJCTUKHM-IBGZPJMESA-N 1 0 396.487 3.349 20 10 GGCDRO COc1ccc([C@H]2CCCN2C(=O)C[N@H+](C)Cc2ccccc2O)cc1OC ZINC000111235698 1411896983 /nfs/dbraw/zinc/89/69/83/1411896983.db2.gz KOMIACQBVSKKKV-GOSISDBHSA-N 1 0 384.476 3.205 20 10 GGCDRO C[N@H+](CC(=O)NCc1cccc(OCC(F)(F)F)c1)Cc1ccccc1O ZINC000111235608 1411897072 /nfs/dbraw/zinc/89/70/72/1411897072.db2.gz YAQPCWPRVMEHFA-UHFFFAOYSA-N 1 0 382.382 3.082 20 10 GGCDRO Oc1cc2c(cc1C[NH2+][C@@H]1CCN(c3ccccc3Br)C1)OCO2 ZINC000111408285 1411946360 /nfs/dbraw/zinc/94/63/60/1411946360.db2.gz IRUPYLRWOHNGKP-CYBMUJFWSA-N 1 0 391.265 3.252 20 10 GGCDRO COc1cccc(CNC(=O)[C@H](C)[NH+]2CCC(Cc3ccccc3)CC2)c1O ZINC000111597770 1411998769 /nfs/dbraw/zinc/99/87/69/1411998769.db2.gz YBNXCTRWIIEWIH-KRWDZBQOSA-N 1 0 382.504 3.360 20 10 GGCDRO Cc1nc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)sc1C ZINC000112536811 1412165475 /nfs/dbraw/zinc/16/54/75/1412165475.db2.gz FASZXKSCTLHDNK-CABCVRRESA-N 1 0 388.537 3.274 20 10 GGCDRO Cc1ccc(C)n1-c1ccc(C(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)cc1 ZINC000112914918 1412237837 /nfs/dbraw/zinc/23/78/37/1412237837.db2.gz VSMKLMRIEWKJBN-JOCHJYFZSA-N 1 0 382.552 3.096 20 10 GGCDRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+]Cc2c(O)cccc2Cl)cc1 ZINC000113314749 1412291410 /nfs/dbraw/zinc/29/14/10/1412291410.db2.gz RCHKGCRDUZIBNT-UHFFFAOYSA-N 1 0 382.913 3.366 20 10 GGCDRO Cc1ccc(O)c(C[NH2+]Cc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)c1 ZINC000113324180 1412292280 /nfs/dbraw/zinc/29/22/80/1412292280.db2.gz FFPUIQDMUFCMFP-QGZVFWFLSA-N 1 0 388.533 3.411 20 10 GGCDRO Cc1nn(C)c2ncc(C[NH2+][C@H]3CCCN(Cc4cc(Cl)ccc4O)C3)cc12 ZINC000113359134 1412297886 /nfs/dbraw/zinc/29/78/86/1412297886.db2.gz CNAFCZQHFMLCHB-SFHVURJKSA-N 1 0 399.926 3.390 20 10 GGCDRO O=C1NC2(CCCCC2)C(=O)N1Cc1ccccc1C[NH2+]Cc1ccccc1O ZINC000113358493 1412298014 /nfs/dbraw/zinc/29/80/14/1412298014.db2.gz KUKNJQLAKVONBV-UHFFFAOYSA-N 1 0 393.487 3.437 20 10 GGCDRO C[NH+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)C1 ZINC000113645098 1412327774 /nfs/dbraw/zinc/32/77/74/1412327774.db2.gz JDIDHFLMWQVYLU-QOJBGXHZSA-N 1 0 379.464 3.451 20 10 GGCDRO COc1ccc(O)c(CNC(=O)NCC2CC[NH+](Cc3cccs3)CC2)c1 ZINC000114592946 1412470254 /nfs/dbraw/zinc/47/02/54/1412470254.db2.gz CPRJTZSAHRFULH-UHFFFAOYSA-N 1 0 389.521 3.174 20 10 GGCDRO C[C@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)C(=O)NCc1ccccc1F ZINC000114750570 1412518749 /nfs/dbraw/zinc/51/87/49/1412518749.db2.gz ZANDFWFGNIAIBP-IRXDYDNUSA-N 1 0 385.483 3.018 20 10 GGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)C(=O)NCc1ccccc1F ZINC000114750573 1412518869 /nfs/dbraw/zinc/51/88/69/1412518869.db2.gz ZANDFWFGNIAIBP-DLBZAZTESA-N 1 0 385.483 3.018 20 10 GGCDRO COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000114791942 1412525798 /nfs/dbraw/zinc/52/57/98/1412525798.db2.gz FVHQVSKSDUQDHU-WMZOPIPTSA-N 1 0 383.492 3.426 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CCC[C@@H]3c3ccc[nH]3)cc2F)CC1 ZINC000114961903 1412556924 /nfs/dbraw/zinc/55/69/24/1412556924.db2.gz TUNUTQTZEUNGGE-OAQYLSRUSA-N 1 0 399.514 3.342 20 10 GGCDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cc(C)n(-c3ccccn3)c2C)[C@H](C)C1 ZINC000115487158 1412690028 /nfs/dbraw/zinc/69/00/28/1412690028.db2.gz JECJQXFAEIGVCU-UTKZUKDTSA-N 1 0 398.551 3.356 20 10 GGCDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccccc2)C1=O)c1ccc(N2CCOCC2)cc1 ZINC000115598410 1412727520 /nfs/dbraw/zinc/72/75/20/1412727520.db2.gz GJUYQVRRWQITEQ-PGRDOPGGSA-N 1 0 379.504 3.369 20 10 GGCDRO Cc1cc(N(C)C)ccc1CNC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000115853886 1412802838 /nfs/dbraw/zinc/80/28/38/1412802838.db2.gz WBRGWIRICKHYGL-UHFFFAOYSA-N 1 0 384.524 3.460 20 10 GGCDRO Cc1cc(N(C)C)ccc1CNC(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000115856207 1412803230 /nfs/dbraw/zinc/80/32/30/1412803230.db2.gz CGIXYHJHLXBELM-UHFFFAOYSA-N 1 0 386.515 3.474 20 10 GGCDRO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)NCc2ccc(N(C)C)cc2C)c1 ZINC000115894763 1412812256 /nfs/dbraw/zinc/81/22/56/1412812256.db2.gz XOWOTMJFHZMBFU-UHFFFAOYSA-N 1 0 396.535 3.158 20 10 GGCDRO C[NH+](C)CC[C@@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)C(C)(C)C ZINC000116423012 1412858039 /nfs/dbraw/zinc/85/80/39/1412858039.db2.gz QMPMFOHHZSWGMO-LJQANCHMSA-N 1 0 392.613 3.405 20 10 GGCDRO COc1ccc(C(=O)N2CCC([NH2+]Cc3ccc(N(C)C)cc3)CC2)cc1OC ZINC000118452111 1413161836 /nfs/dbraw/zinc/16/18/36/1413161836.db2.gz XGHSGLKESGPLNY-UHFFFAOYSA-N 1 0 397.519 3.164 20 10 GGCDRO Cc1cc(C(=O)NCCC[NH+]2CCC(O)CC2)c(C)n1-c1cccc(Cl)c1 ZINC000118722304 1413209937 /nfs/dbraw/zinc/20/99/37/1413209937.db2.gz IUZCOHGVHIWEQH-UHFFFAOYSA-N 1 0 389.927 3.324 20 10 GGCDRO CC[C@H]([NH2+]Cc1cccnc1N1CCC(C(N)=O)CC1)c1ccc(N(C)C)cc1 ZINC000119081671 1413329787 /nfs/dbraw/zinc/32/97/87/1413329787.db2.gz IOHJXAOFASGKEN-NRFANRHFSA-N 1 0 395.551 3.090 20 10 GGCDRO C[C@@H](c1ccccc1)[N@@H+](Cc1ccccc1O)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000119287468 1413399685 /nfs/dbraw/zinc/39/96/85/1413399685.db2.gz NAKOSYVRTKKQIL-JXFKEZNVSA-N 1 0 396.447 3.121 20 10 GGCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccc(OCC(F)(F)F)nc1 ZINC000119395211 1413433442 /nfs/dbraw/zinc/43/34/42/1413433442.db2.gz FIQCUDSSIJHDDO-UHFFFAOYSA-N 1 0 395.425 3.491 20 10 GGCDRO COc1ccc(N2CCC([NH2+]CC(C)(C)N3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000119507568 1413469949 /nfs/dbraw/zinc/46/99/49/1413469949.db2.gz ACOIMVIHEUGXGY-HDICACEKSA-N 1 0 375.557 3.141 20 10 GGCDRO COc1ccc(N2CCC([NH2+]CC(C)(C)N3C[C@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000119507720 1413469963 /nfs/dbraw/zinc/46/99/63/1413469963.db2.gz ACOIMVIHEUGXGY-ROUUACIJSA-N 1 0 375.557 3.141 20 10 GGCDRO C[C@H]([NH2+]CCCN1C[C@@H](C)O[C@H](C)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000119882069 1413603304 /nfs/dbraw/zinc/60/33/04/1413603304.db2.gz ZEJNKZZPFICXNS-KURKYZTESA-N 1 0 395.975 3.327 20 10 GGCDRO COc1ccc([C@@H](CCO)[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000120397739 1413809291 /nfs/dbraw/zinc/80/92/91/1413809291.db2.gz LMIUUTNIMYVPSZ-IIBYNOLFSA-N 1 0 388.483 3.445 20 10 GGCDRO CCN(Cc1ccccc1)C(=O)[C@@H](C)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000120863091 1413930494 /nfs/dbraw/zinc/93/04/94/1413930494.db2.gz GTXGHRGVRYPGOO-HXUWFJFHSA-N 1 0 395.547 3.392 20 10 GGCDRO CCN(Cc1ccccc1)C(=O)[C@H](C)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000120863262 1413930541 /nfs/dbraw/zinc/93/05/41/1413930541.db2.gz GTXGHRGVRYPGOO-FQEVSTJZSA-N 1 0 395.547 3.392 20 10 GGCDRO COc1ccc(N2CCN(CCC[NH2+][C@@H](C)c3cccc(CO)c3)CC2)cc1 ZINC000121047856 1413988621 /nfs/dbraw/zinc/98/86/21/1413988621.db2.gz JSXUMGXMSRKACW-IBGZPJMESA-N 1 0 383.536 3.050 20 10 GGCDRO CN(C)c1ccc(C[NH+]2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)cc1 ZINC000121053662 1413990467 /nfs/dbraw/zinc/99/04/67/1413990467.db2.gz SCDAICMKBTZVTC-UHFFFAOYSA-N 1 0 381.476 3.332 20 10 GGCDRO COc1ccc(N2CC[NH+](CCCNC(=O)N[C@@H]3CCC[C@H](C)C3)CC2)cc1 ZINC000121195534 1414040834 /nfs/dbraw/zinc/04/08/34/1414040834.db2.gz QJUIMTFUGADSFW-RBUKOAKNSA-N 1 0 388.556 3.085 20 10 GGCDRO COC(=O)[C@H](C)Oc1ccc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000121323738 1414082816 /nfs/dbraw/zinc/08/28/16/1414082816.db2.gz RZMJYICHIKTBTM-SFHVURJKSA-N 1 0 398.503 3.096 20 10 GGCDRO Fc1cc(C[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)ccc1N1CCOCC1 ZINC000121776842 1414253742 /nfs/dbraw/zinc/25/37/42/1414253742.db2.gz PYRQRZIUNIKVKX-SFHVURJKSA-N 1 0 395.482 3.085 20 10 GGCDRO COc1ccc(N2CC[NH+](CCC(=O)Nc3cccc(F)c3)CC2)cc1F ZINC000122014054 1414340845 /nfs/dbraw/zinc/34/08/45/1414340845.db2.gz KCMLGWYVJRTMOD-UHFFFAOYSA-N 1 0 375.419 3.124 20 10 GGCDRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000122165993 1414378183 /nfs/dbraw/zinc/37/81/83/1414378183.db2.gz KYZBABHIMSARHW-ZWKOTPCHSA-N 1 0 393.503 3.198 20 10 GGCDRO C[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000122216390 1414391740 /nfs/dbraw/zinc/39/17/40/1414391740.db2.gz OYRWLUWCHBVQOP-QZTJIDSGSA-N 1 0 388.533 3.036 20 10 GGCDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)c3ccc4c(c3)CCC(=O)N4)c2)CC1 ZINC000122251617 1414402148 /nfs/dbraw/zinc/40/21/48/1414402148.db2.gz DOBWZVADCAWRKI-UHFFFAOYSA-N 1 0 392.503 3.354 20 10 GGCDRO CCOC(=O)c1ccc(N2CCC[N@H+](Cc3c(O)cccc3Cl)CC2)nc1 ZINC000122282943 1414410946 /nfs/dbraw/zinc/41/09/46/1414410946.db2.gz YWJNZMATLDBHDA-UHFFFAOYSA-N 1 0 389.883 3.330 20 10 GGCDRO CC1CC[NH+](Cc2ccc(NC(=O)C(=O)N(C)Cc3ccccc3O)cc2)CC1 ZINC000122364278 1414435094 /nfs/dbraw/zinc/43/50/94/1414435094.db2.gz XYFPNIPZQBJJGP-UHFFFAOYSA-N 1 0 395.503 3.221 20 10 GGCDRO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]Cc2ccc(N(C)C)c(F)c2)c1 ZINC000122413473 1414451341 /nfs/dbraw/zinc/45/13/41/1414451341.db2.gz INDRKRCZEWUXMZ-AWEZNQCLSA-N 1 0 389.471 3.416 20 10 GGCDRO COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]Cc2ccc(N(C)C)c(F)c2)c1 ZINC000122413670 1414451351 /nfs/dbraw/zinc/45/13/51/1414451351.db2.gz INDRKRCZEWUXMZ-CQSZACIVSA-N 1 0 389.471 3.416 20 10 GGCDRO COc1ccc(NC(=O)C[C@H](C)[NH2+]Cc2ccc(N(C)C)c(F)c2)c(OC)c1 ZINC000122420593 1414453960 /nfs/dbraw/zinc/45/39/60/1414453960.db2.gz RDGYHEVUKCGJJE-AWEZNQCLSA-N 1 0 389.471 3.416 20 10 GGCDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)c3ccc(-n4ccnn4)cc3)c2)CC1 ZINC000122432141 1414458522 /nfs/dbraw/zinc/45/85/22/1414458522.db2.gz WHKVVYGDZFHIQA-UHFFFAOYSA-N 1 0 390.491 3.050 20 10 GGCDRO Cc1cc(C(=O)NCc2ccccc2OCC[NH+](C)C)c(C)n1-c1ccccn1 ZINC000122772617 1414560817 /nfs/dbraw/zinc/56/08/17/1414560817.db2.gz LSTKYSDJTLLJKH-UHFFFAOYSA-N 1 0 392.503 3.360 20 10 GGCDRO COc1cc([C@H](C)[NH2+]Cc2ccc3c(c2)CCCN3C)ccc1S(C)(=O)=O ZINC000122932194 1414600263 /nfs/dbraw/zinc/60/02/63/1414600263.db2.gz SRFKGMCOGIAGKM-HNNXBMFYSA-N 1 0 388.533 3.332 20 10 GGCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000122935053 1414600710 /nfs/dbraw/zinc/60/07/10/1414600710.db2.gz YSAXDQHMYZGAEZ-AWEZNQCLSA-N 1 0 376.497 3.462 20 10 GGCDRO Fc1ccc(CN2CCC[N@H+](Cc3ccc(N4CCOCC4)cc3)CC2)cc1 ZINC000123166856 1414658571 /nfs/dbraw/zinc/65/85/71/1414658571.db2.gz CVPKDUKRNCOSCD-UHFFFAOYSA-N 1 0 383.511 3.370 20 10 GGCDRO COc1ccc2c(C[NH2+][C@H](C)c3ccc(N4CCOCC4)cc3)cc(=O)oc2c1 ZINC000123317014 1414695280 /nfs/dbraw/zinc/69/52/80/1414695280.db2.gz NHVHYCRLGOPBIF-MRXNPFEDSA-N 1 0 394.471 3.489 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3c(F)ccc(F)c3F)cc2F)CC1 ZINC000123530987 1414764753 /nfs/dbraw/zinc/76/47/53/1414764753.db2.gz ZZBXKEUUSYYVIE-UHFFFAOYSA-N 1 0 395.400 3.315 20 10 GGCDRO COc1ccc(N2CCC(NC(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)CC2)cc1 ZINC000177714004 1428840548 /nfs/dbraw/zinc/84/05/48/1428840548.db2.gz DPVVCMIBSWXJGN-GOSISDBHSA-N 1 0 385.552 3.435 20 10 GGCDRO Cn1c(CC[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)nc2cc(F)ccc21 ZINC000123925340 1414851168 /nfs/dbraw/zinc/85/11/68/1414851168.db2.gz BXGNTNWUSMIREI-UHFFFAOYSA-N 1 0 386.446 3.020 20 10 GGCDRO COc1cc(Br)cc(C[NH2+]C[C@H](O)c2c(F)cccc2F)c1O ZINC000123966611 1414858893 /nfs/dbraw/zinc/85/88/93/1414858893.db2.gz RWQSUWRQMLBBAY-ZDUSSCGKSA-N 1 0 388.208 3.265 20 10 GGCDRO O=C(CCC[NH2+]Cc1cc(Cl)ccc1O)N1CCN(c2ccccc2)CC1 ZINC000124152884 1414896625 /nfs/dbraw/zinc/89/66/25/1414896625.db2.gz JUJCMDKGLJAGMV-UHFFFAOYSA-N 1 0 387.911 3.264 20 10 GGCDRO C[C@@H]([NH2+][C@@H]1CC(=O)N(c2ccccc2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000177795995 1428860305 /nfs/dbraw/zinc/86/03/05/1428860305.db2.gz QZWSOXGFKXOTDL-SJLPKXTDSA-N 1 0 383.467 3.118 20 10 GGCDRO CCOC(=O)N1CCC([NH2+][C@H](C)c2ccc(N3CCOCC3)cc2Cl)CC1 ZINC000125662983 1415248984 /nfs/dbraw/zinc/24/89/84/1415248984.db2.gz OUMYKDDGSNKCHV-OAHLLOKOSA-N 1 0 395.931 3.448 20 10 GGCDRO CCNC(=O)c1cccc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)c1 ZINC000177884911 1428883310 /nfs/dbraw/zinc/88/33/10/1428883310.db2.gz DWADULFKDUBAIV-INIZCTEOSA-N 1 0 385.483 3.263 20 10 GGCDRO C[NH+](C)CCOc1cccc(CNC(=O)NCc2ccc(N3CC=CC3)cc2)c1 ZINC000125749028 1415269751 /nfs/dbraw/zinc/26/97/51/1415269751.db2.gz LPIXFYFBVAQRCS-UHFFFAOYSA-N 1 0 394.519 3.003 20 10 GGCDRO C[C@H]([NH2+]Cc1cccnc1-n1cccn1)c1ccc(N2CCOCC2)c(F)c1 ZINC000177903773 1428887715 /nfs/dbraw/zinc/88/77/15/1428887715.db2.gz HBNMKKLJXWSTNP-INIZCTEOSA-N 1 0 381.455 3.094 20 10 GGCDRO CC[NH+]1CCC(NC(=O)CN(Cc2cccs2)c2ccc(OC)cc2)CC1 ZINC000125945360 1415319033 /nfs/dbraw/zinc/31/90/33/1415319033.db2.gz FMZQTCPHIJTSMV-UHFFFAOYSA-N 1 0 387.549 3.364 20 10 GGCDRO C[C@@H]([NH2+]CCc1ccc(OCC(=O)NC2CC2)cc1)c1ccc(N(C)C)cc1 ZINC000126147894 1415369746 /nfs/dbraw/zinc/36/97/46/1415369746.db2.gz OKDPRSGZQLLFOL-QGZVFWFLSA-N 1 0 381.520 3.303 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NC[C@@]3(C)CCCS3)cc2F)CC1 ZINC000126152765 1415371110 /nfs/dbraw/zinc/37/11/10/1415371110.db2.gz GGKURBIBTVPHOK-HXUWFJFHSA-N 1 0 394.560 3.053 20 10 GGCDRO COc1ccc(N2CCC([NH2+]Cc3ccc(-n4ccnc4C)nc3)CC2)cc1 ZINC000126388023 1415433673 /nfs/dbraw/zinc/43/36/73/1415433673.db2.gz PGSNKJCGSRAJBV-UHFFFAOYSA-N 1 0 377.492 3.343 20 10 GGCDRO CCOc1cccc(CNc2ccc(CC[NH+]3CCC(C(N)=O)CC3)cc2)c1O ZINC000126528813 1415478460 /nfs/dbraw/zinc/47/84/60/1415478460.db2.gz CTQSRWRAAMETHR-UHFFFAOYSA-N 1 0 397.519 3.143 20 10 GGCDRO NC(=O)C1CC[NH+](CCc2ccc(NCc3c(O)cccc3Cl)cc2)CC1 ZINC000126539296 1415483353 /nfs/dbraw/zinc/48/33/53/1415483353.db2.gz CJEUFHCWDZRPLE-UHFFFAOYSA-N 1 0 387.911 3.398 20 10 GGCDRO CN(C)c1ccc(CNc2ccc(CC[NH+]3CCC(C(N)=O)CC3)cc2)cc1F ZINC000126571906 1415495741 /nfs/dbraw/zinc/49/57/41/1415495741.db2.gz FWKPJAGMZLXKFO-UHFFFAOYSA-N 1 0 398.526 3.244 20 10 GGCDRO CC(C)(CNC(=O)NCc1ccc(N2CCSCC2)cc1)[NH+]1CCCCC1 ZINC000126673781 1415523085 /nfs/dbraw/zinc/52/30/85/1415523085.db2.gz HHQIAJOWXIUFOZ-UHFFFAOYSA-N 1 0 390.597 3.304 20 10 GGCDRO CC(C)[NH+]1CCN(c2cccc(NS(=O)(=O)c3ccc(F)cc3)c2)CC1 ZINC000126940049 1415614284 /nfs/dbraw/zinc/61/42/84/1415614284.db2.gz LMELFYIQHGUPTG-UHFFFAOYSA-N 1 0 377.485 3.157 20 10 GGCDRO C[C@@H](CNC(=O)NCc1ccc(N2CCSCC2)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000126990163 1415627934 /nfs/dbraw/zinc/62/79/34/1415627934.db2.gz ARUSEGILPXELQB-MSOLQXFVSA-N 1 0 390.597 3.159 20 10 GGCDRO C[C@@H](CNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)[N@@H+]1CCC[C@@H](C)C1 ZINC000127007349 1415633423 /nfs/dbraw/zinc/63/34/23/1415633423.db2.gz VBHSVMCLKVNZAA-HBFSDRIKSA-N 1 0 389.540 3.203 20 10 GGCDRO CC(C)CC(=O)N1CCC([NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000178084568 1428975355 /nfs/dbraw/zinc/97/53/55/1428975355.db2.gz GONZGWFSZDZJAS-QGZVFWFLSA-N 1 0 391.531 3.350 20 10 GGCDRO Cc1cc(C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)c(C)n1-c1ccc(F)cc1 ZINC000178107071 1428984703 /nfs/dbraw/zinc/98/47/03/1428984703.db2.gz GAVKTKBPWZBECP-GOSISDBHSA-N 1 0 385.483 3.028 20 10 GGCDRO O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000178135806 1428994349 /nfs/dbraw/zinc/99/43/49/1428994349.db2.gz FRRRKXMKHSBJMN-NRFANRHFSA-N 1 0 399.579 3.166 20 10 GGCDRO O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000127908016 1415873601 /nfs/dbraw/zinc/87/36/01/1415873601.db2.gz LJZXKFLXXJKDKY-UHFFFAOYSA-N 1 0 390.531 3.480 20 10 GGCDRO CCN(CCC[NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1)S(C)(=O)=O ZINC000128332070 1415964389 /nfs/dbraw/zinc/96/43/89/1415964389.db2.gz OFWRFPPMTZRSQM-GOSISDBHSA-N 1 0 381.586 3.389 20 10 GGCDRO COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000128421822 1415983393 /nfs/dbraw/zinc/98/33/93/1415983393.db2.gz LNQKDAWBNVWENI-FTRWYGJKSA-N 1 0 383.492 3.282 20 10 GGCDRO O=C(c1cccc(F)c1)N1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000128998925 1416122869 /nfs/dbraw/zinc/12/28/69/1416122869.db2.gz AHPKMJNSOLHRIG-UHFFFAOYSA-N 1 0 397.494 3.010 20 10 GGCDRO C[C@@H]([NH2+]C1CCN(CC(F)(F)F)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000178369019 1429062676 /nfs/dbraw/zinc/06/26/76/1429062676.db2.gz KNCGFSGWFHJSAJ-CQSZACIVSA-N 1 0 389.437 3.340 20 10 GGCDRO Cc1cccc(C(=O)N2CCC[N@H+](Cc3ccc(N4CCOCC4)cc3)CC2)c1 ZINC000129044097 1416132421 /nfs/dbraw/zinc/13/24/21/1416132421.db2.gz YBAHFVVLIUOBQB-UHFFFAOYSA-N 1 0 393.531 3.180 20 10 GGCDRO CN(C)c1ccc(CN(C)C(=O)C[N@H+](CCCO)[C@@H]2CCc3ccccc32)cc1 ZINC000178392982 1429068220 /nfs/dbraw/zinc/06/82/20/1429068220.db2.gz YAYDZHMTFSWEIR-HSZRJFAPSA-N 1 0 395.547 3.083 20 10 GGCDRO C[C@@H]([NH2+]CCC(=O)NCc1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000129339812 1416193638 /nfs/dbraw/zinc/19/36/38/1416193638.db2.gz LRHNWKLRKZOSAJ-QGZVFWFLSA-N 1 0 385.483 3.019 20 10 GGCDRO CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000129924749 1416285533 /nfs/dbraw/zinc/28/55/33/1416285533.db2.gz XLKDSRZVRVSCLO-WFASDCNBSA-N 1 0 396.329 3.311 20 10 GGCDRO C[N@H+](Cc1cnn(Cc2ccccc2)c1)Cc1ccc(N2CCOCC2)cc1 ZINC000130411073 1416373613 /nfs/dbraw/zinc/37/36/13/1416373613.db2.gz MHGQSTWIPNBOHW-UHFFFAOYSA-N 1 0 376.504 3.400 20 10 GGCDRO C[C@@H]([NH2+][C@H]1CCCN(Cc2ccccc2)C1=O)c1ccc(N2CCOCC2)cc1 ZINC000131031375 1416498525 /nfs/dbraw/zinc/49/85/25/1416498525.db2.gz LTGKFXGNWLPRKH-XXBNENTESA-N 1 0 393.531 3.365 20 10 GGCDRO C[C@H]([NH2+][C@@H]1CCCN(Cc2ccccc2)C1=O)c1ccc(N2CCOCC2)cc1 ZINC000131030741 1416498583 /nfs/dbraw/zinc/49/85/83/1416498583.db2.gz LTGKFXGNWLPRKH-WMZHIEFXSA-N 1 0 393.531 3.365 20 10 GGCDRO Cc1cc(C(=O)N2CC[C@H](C[NH3+])C2)c(C)n1-c1ccccc1Br ZINC000178560208 1429106909 /nfs/dbraw/zinc/10/69/09/1429106909.db2.gz YFDMMBWHOKPUAB-CQSZACIVSA-N 1 0 376.298 3.277 20 10 GGCDRO CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000131416684 1416554362 /nfs/dbraw/zinc/55/43/62/1416554362.db2.gz CDDWQYRMNDYMTM-MOPGFXCFSA-N 1 0 389.540 3.449 20 10 GGCDRO COc1ccc(-n2c(C)cc(C(=O)NCCCC[N@@H+]3CCC[C@@H]3CO)c2C)cc1 ZINC000131552097 1416574675 /nfs/dbraw/zinc/57/46/75/1416574675.db2.gz DVOIMYXEZLMCPM-HXUWFJFHSA-N 1 0 399.535 3.069 20 10 GGCDRO COc1ccc(N(C)CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c(OC)c1 ZINC000131666063 1416593377 /nfs/dbraw/zinc/59/33/77/1416593377.db2.gz CPTLZLFAVWDSDW-UHFFFAOYSA-N 1 0 397.519 3.052 20 10 GGCDRO Cc1cc(C(=O)N2CC[C@H](C[NH3+])C2)c(C)n1-c1cccc(Br)c1 ZINC000178577141 1429112183 /nfs/dbraw/zinc/11/21/83/1429112183.db2.gz JQORZAXGEDFATH-CQSZACIVSA-N 1 0 376.298 3.277 20 10 GGCDRO Cc1cc(C(=O)N2CC[C@@H](C[NH3+])C2)c(C)n1-c1cccc(Br)c1 ZINC000178577153 1429112336 /nfs/dbraw/zinc/11/23/36/1429112336.db2.gz JQORZAXGEDFATH-AWEZNQCLSA-N 1 0 376.298 3.277 20 10 GGCDRO CNS(=O)(=O)c1cccc(C[NH2+][C@@H](C)c2ccc(N3CCCCC3)cc2)c1 ZINC000131938378 1416655516 /nfs/dbraw/zinc/65/55/16/1416655516.db2.gz QMULIKYJYNUFDR-KRWDZBQOSA-N 1 0 387.549 3.436 20 10 GGCDRO C[C@@H]([NH2+]CCCSc1nccs1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000132288656 1416729954 /nfs/dbraw/zinc/72/99/54/1416729954.db2.gz IAGGOCAZPPCJEJ-CYBMUJFWSA-N 1 0 385.580 3.226 20 10 GGCDRO CCCn1nc(C)c(C[NH2+]CCCN2CCN(c3ccc(OC)cc3)CC2)c1C ZINC000132795085 1416815730 /nfs/dbraw/zinc/81/57/30/1416815730.db2.gz FSMZRAAAEGNSPX-UHFFFAOYSA-N 1 0 399.583 3.220 20 10 GGCDRO C[C@@H]([NH2+]CCNC(=O)OC(C)(C)C)c1ccc(N2CCOCC2)cc1Cl ZINC000132852231 1416823371 /nfs/dbraw/zinc/82/33/71/1416823371.db2.gz XSENSINVIIWQEK-CQSZACIVSA-N 1 0 383.920 3.352 20 10 GGCDRO C[C@@H]([NH2+]C[C@@H](Cc1ccccc1)N(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000132873125 1416825627 /nfs/dbraw/zinc/82/56/27/1416825627.db2.gz ZCZRYJFIONRJGS-WIYYLYMNSA-N 1 0 385.527 3.486 20 10 GGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000178666118 1429132546 /nfs/dbraw/zinc/13/25/46/1429132546.db2.gz MIWFYIPMKXRKLL-DLBZAZTESA-N 1 0 388.533 3.339 20 10 GGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccc(N2CCOCC2)cc1 ZINC000178666106 1429132676 /nfs/dbraw/zinc/13/26/76/1429132676.db2.gz MIWFYIPMKXRKLL-SJORKVTESA-N 1 0 388.533 3.339 20 10 GGCDRO CCOC(=O)c1cc(C)sc1NC(=O)[C@H](C)[N@H+](C)Cc1ccccc1O ZINC000133023022 1416842861 /nfs/dbraw/zinc/84/28/61/1416842861.db2.gz ZMPBSSWNJPEFOF-ZDUSSCGKSA-N 1 0 376.478 3.398 20 10 GGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)cc1C ZINC000133137570 1416855724 /nfs/dbraw/zinc/85/57/24/1416855724.db2.gz RFIGGJHCCBQRSV-OAQYLSRUSA-N 1 0 394.563 3.438 20 10 GGCDRO Cn1cc(N2CCC[C@H]([N@H+](C)Cc3ccc(N4CCCCC4)cc3)C2=O)cn1 ZINC000133622793 1416923591 /nfs/dbraw/zinc/92/35/91/1416923591.db2.gz GYMLJDVCZCOEGJ-NRFANRHFSA-N 1 0 381.524 3.038 20 10 GGCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000133689320 1416942177 /nfs/dbraw/zinc/94/21/77/1416942177.db2.gz BGFZYUSWYXRNCQ-JOCHJYFZSA-N 1 0 397.494 3.290 20 10 GGCDRO CC[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(N(C)C)cc1 ZINC000133848343 1416977422 /nfs/dbraw/zinc/97/74/22/1416977422.db2.gz JLCYJAOJOFFVFD-HXUWFJFHSA-N 1 0 375.538 3.244 20 10 GGCDRO C[N@H+](CCN1C(=O)c2ccccc2C1=O)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000133933479 1416997790 /nfs/dbraw/zinc/99/77/90/1416997790.db2.gz MKYPUMZHDJCUOX-UHFFFAOYSA-N 1 0 382.460 3.123 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)Cc3ccc(F)cc3F)cc2F)CC1 ZINC000133951863 1417001095 /nfs/dbraw/zinc/00/10/95/1417001095.db2.gz YZYKFESSWUFNRM-UHFFFAOYSA-N 1 0 391.437 3.105 20 10 GGCDRO Cc1nc(CC(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)c(C)s1 ZINC000134260671 1417045249 /nfs/dbraw/zinc/04/52/49/1417045249.db2.gz YXZKPWFQFSOICJ-MRXNPFEDSA-N 1 0 393.940 3.442 20 10 GGCDRO Cc1[nH]nc2ncc(C(=O)N[C@H]3CCC[N@H+](Cc4cc(Cl)ccc4O)C3)cc12 ZINC000134265925 1417046962 /nfs/dbraw/zinc/04/69/62/1417046962.db2.gz UBHQURKCKUMLEH-INIZCTEOSA-N 1 0 399.882 3.020 20 10 GGCDRO O=C(Cc1c[nH]c2ncccc12)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134267816 1417047269 /nfs/dbraw/zinc/04/72/69/1417047269.db2.gz DNQYGSFKYQAOKJ-KRWDZBQOSA-N 1 0 398.894 3.245 20 10 GGCDRO Clc1cnc(OCC[NH2+]Cc2ccc(N3CCOCC3)cc2)c(Cl)c1 ZINC000134474446 1417074238 /nfs/dbraw/zinc/07/42/38/1417074238.db2.gz MTSHVJLMIUSZPD-UHFFFAOYSA-N 1 0 382.291 3.394 20 10 GGCDRO COc1cc(Br)cc(C[NH2+]C(C)(C)C(=O)NCC2CCCC2)c1O ZINC000136033218 1417286827 /nfs/dbraw/zinc/28/68/27/1417286827.db2.gz GARBPLCBUGTKTF-UHFFFAOYSA-N 1 0 399.329 3.338 20 10 GGCDRO Cc1cc(C(=O)CN2CC[NH+](C[C@H]3CCOC3)CC2)c(C)n1-c1cccc(F)c1 ZINC000178820794 1429183010 /nfs/dbraw/zinc/18/30/10/1429183010.db2.gz JFGCHINFSUHFQL-LJQANCHMSA-N 1 0 399.510 3.070 20 10 GGCDRO CCN(CC)c1ccc(CNC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1F ZINC000139664722 1417467850 /nfs/dbraw/zinc/46/78/50/1417467850.db2.gz UIVJYKQTRSERHM-IEBWSBKVSA-N 1 0 376.520 3.298 20 10 GGCDRO COc1ccc(N2CCCN(C(=O)NCCCCCCC[NH+](C)C)CC2)cc1 ZINC000140247297 1417495414 /nfs/dbraw/zinc/49/54/14/1417495414.db2.gz LAAJTJBDIQAMDO-UHFFFAOYSA-N 1 0 390.572 3.429 20 10 GGCDRO CN(C)c1ccc(CN(C)C(=O)C[NH2+]C2(c3ccc(F)cc3)CCOCC2)cc1 ZINC000178853029 1429196248 /nfs/dbraw/zinc/19/62/48/1429196248.db2.gz ZYBOVULRNRLNGB-UHFFFAOYSA-N 1 0 399.510 3.146 20 10 GGCDRO O[C@@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccc(OC(F)(F)F)cc1 ZINC000143077352 1417612891 /nfs/dbraw/zinc/61/28/91/1417612891.db2.gz XSRZEDNNIFBHFL-IBGZPJMESA-N 1 0 396.409 3.245 20 10 GGCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc([S@](C)=O)cc1 ZINC000151537741 1418017805 /nfs/dbraw/zinc/01/78/05/1418017805.db2.gz MLDXIWFHIGZZCN-KUNJGFBQSA-N 1 0 390.524 3.375 20 10 GGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)c1ccc([S@@](C)=O)cc1 ZINC000151581677 1418031495 /nfs/dbraw/zinc/03/14/95/1418031495.db2.gz RBHMIEXTASDTBH-CRYYWNKWSA-N 1 0 386.561 3.484 20 10 GGCDRO CC[NH+]1CCC(NC(=O)CN(Cc2ccco2)c2ccc(OC)c(F)c2)CC1 ZINC000151636855 1418046755 /nfs/dbraw/zinc/04/67/55/1418046755.db2.gz HUMNMKQVUXRSPP-UHFFFAOYSA-N 1 0 389.471 3.034 20 10 GGCDRO C[NH+](C)[C@H](CNC(=O)NCCCSc1nccs1)c1cccc(F)c1 ZINC000151698909 1418065420 /nfs/dbraw/zinc/06/54/20/1418065420.db2.gz AXHVNNBSCIUARJ-OAHLLOKOSA-N 1 0 382.530 3.367 20 10 GGCDRO COc1cccc([C@H](CNC(=O)NCCCSc2nccs2)[NH+](C)C)c1 ZINC000151702009 1418066233 /nfs/dbraw/zinc/06/62/33/1418066233.db2.gz BZDVBKKIUXHPSM-INIZCTEOSA-N 1 0 394.566 3.236 20 10 GGCDRO COc1ccc(N2CCC([NH2+]CCNc3nccc(C(F)(F)F)n3)CC2)cc1 ZINC000151767433 1418083056 /nfs/dbraw/zinc/08/30/56/1418083056.db2.gz FQNXFGGFNNKMGP-UHFFFAOYSA-N 1 0 395.429 3.175 20 10 GGCDRO Cc1cc(N(C)C)ccc1CNC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000152142168 1418156301 /nfs/dbraw/zinc/15/63/01/1418156301.db2.gz DBPPRVAXCRPAAG-GOSISDBHSA-N 1 0 395.551 3.481 20 10 GGCDRO C[C@H]([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)c1cccc(OC(F)F)c1 ZINC000179582799 1429452335 /nfs/dbraw/zinc/45/23/35/1429452335.db2.gz JWJPYCVGFMUXKV-AWEZNQCLSA-N 1 0 377.435 3.321 20 10 GGCDRO CCOC(=O)N1CCC([NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1 ZINC000152478710 1422114697 /nfs/dbraw/zinc/11/46/97/1422114697.db2.gz GYDFQXVWWXBSBU-MRXNPFEDSA-N 1 0 397.466 3.467 20 10 GGCDRO C[NH+](C)[C@H](CNC(=O)NCc1ccc(N2CC=CC2)cc1)Cc1ccccc1 ZINC000152933262 1422301158 /nfs/dbraw/zinc/30/11/58/1422301158.db2.gz WSYRXZZZOQJSSF-QFIPXVFZSA-N 1 0 378.520 3.035 20 10 GGCDRO C[C@H]([NH2+]C[C@H](O)COc1ccc2c(c1)OCO2)c1ccc(N2CCCCC2)cc1 ZINC000153254635 1422421272 /nfs/dbraw/zinc/42/12/72/1422421272.db2.gz WAWWDEVQSCNNGH-PXNSSMCTSA-N 1 0 398.503 3.496 20 10 GGCDRO COc1ccc(C)cc1NC(=O)[C@H](C)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000153331271 1422474560 /nfs/dbraw/zinc/47/45/60/1422474560.db2.gz UBKHHAFPZHWSNW-SFHVURJKSA-N 1 0 397.519 3.299 20 10 GGCDRO C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000153333920 1422475611 /nfs/dbraw/zinc/47/56/11/1422475611.db2.gz LNSOENZPHNIHSM-HNNXBMFYSA-N 1 0 389.446 3.260 20 10 GGCDRO CCCNC(=O)CN1CCC([NH2+][C@@H](C)c2ccc(N3CCCCC3)cc2)CC1 ZINC000153512472 1422579342 /nfs/dbraw/zinc/57/93/42/1422579342.db2.gz HOIUNEQKKFAGHN-IBGZPJMESA-N 1 0 386.584 3.318 20 10 GGCDRO CN(Cc1ccccc1O)C(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000179806017 1429579902 /nfs/dbraw/zinc/57/99/02/1429579902.db2.gz SMKYQDFPYUJXFZ-UHFFFAOYSA-N 1 0 397.519 3.251 20 10 GGCDRO CC(C)NS(=O)(=O)Cc1ccc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000153873752 1422803069 /nfs/dbraw/zinc/80/30/69/1422803069.db2.gz AXBYYECIRPAAKT-QGZVFWFLSA-N 1 0 389.565 3.431 20 10 GGCDRO COc1ccc([C@@H](C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)N2CCOCC2)cc1 ZINC000154252885 1422862471 /nfs/dbraw/zinc/86/24/71/1422862471.db2.gz XHZBSJHRIFPFHS-FDDCHVKYSA-N 1 0 383.536 3.485 20 10 GGCDRO C[N@H+](CCNC(=O)NCCCSc1nccs1)Cc1ccc(F)cc1 ZINC000154283772 1422866984 /nfs/dbraw/zinc/86/69/84/1422866984.db2.gz KMHAJQMVJTXABJ-UHFFFAOYSA-N 1 0 382.530 3.196 20 10 GGCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@@H](C)c1ccc3c(c1)CCCC3)cc2=O ZINC000154331114 1422873708 /nfs/dbraw/zinc/87/37/08/1422873708.db2.gz PJTUOFTZNRTXFO-AWEZNQCLSA-N 1 0 394.475 3.341 20 10 GGCDRO CN(C)c1ccc(C[N@H+](C)Cc2ccccc2OCC(=O)NCC2CC2)cc1 ZINC000155190834 1423229779 /nfs/dbraw/zinc/22/97/79/1423229779.db2.gz OSWCNUFMQHRMFL-UHFFFAOYSA-N 1 0 381.520 3.290 20 10 GGCDRO CCCN(Cc1ccccc1O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000156394323 1423805058 /nfs/dbraw/zinc/80/50/58/1423805058.db2.gz HOUKARUTUBIUMB-PZJWPPBQSA-N 1 0 389.540 3.082 20 10 GGCDRO C[C@H]([NH2+]C[C@H]1COC2(CCOCC2)O1)c1ccc(N2CCCCC2)c(F)c1 ZINC000179987751 1429676562 /nfs/dbraw/zinc/67/65/62/1429676562.db2.gz ZLZWXSUWZFWCAI-WMZOPIPTSA-N 1 0 378.488 3.389 20 10 GGCDRO C[C@@H]([NH2+]C[C@H]1COC2(CCOCC2)O1)c1ccc(N2CCCCC2)c(F)c1 ZINC000179987769 1429676599 /nfs/dbraw/zinc/67/65/99/1429676599.db2.gz ZLZWXSUWZFWCAI-AEFFLSMTSA-N 1 0 378.488 3.389 20 10 GGCDRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000157115170 1423928744 /nfs/dbraw/zinc/92/87/44/1423928744.db2.gz WFUSBKXLEHHLOH-QFIPXVFZSA-N 1 0 387.568 3.429 20 10 GGCDRO Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@H+](Cc3cccc(C)c3O)C2)cc1 ZINC000180012443 1429690831 /nfs/dbraw/zinc/69/08/31/1429690831.db2.gz JATIGSLAVHJQPW-SFHVURJKSA-N 1 0 388.533 3.200 20 10 GGCDRO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000157551177 1424035871 /nfs/dbraw/zinc/03/58/71/1424035871.db2.gz FQUAJELUSYHUNO-QGZVFWFLSA-N 1 0 382.504 3.447 20 10 GGCDRO Cc1cc(C(=O)N2CCC([NH3+])CC2)c(C)n1-c1ccc(Br)cc1 ZINC000157673908 1424062718 /nfs/dbraw/zinc/06/27/18/1424062718.db2.gz RRJHTRJEGQUCIR-UHFFFAOYSA-N 1 0 376.298 3.420 20 10 GGCDRO C[C@H](SCC[NH+](C)C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000157707408 1424070499 /nfs/dbraw/zinc/07/04/99/1424070499.db2.gz ZAPQUIXIXLIBBI-ZDUSSCGKSA-N 1 0 382.485 3.084 20 10 GGCDRO COc1ccc(CCC(=O)N2CCC[N@H+](Cc3cc(F)ccc3O)CC2)cc1 ZINC000180019011 1429696675 /nfs/dbraw/zinc/69/66/75/1429696675.db2.gz UUJDLJRDLYFNPH-UHFFFAOYSA-N 1 0 386.467 3.207 20 10 GGCDRO CC[C@@H]([NH2+]C1CCN(S(=O)(=O)CC(C)C)CC1)c1ccc(N(C)C)cc1 ZINC000180021953 1429698561 /nfs/dbraw/zinc/69/85/61/1429698561.db2.gz OZJNPEBWBKKYIP-HXUWFJFHSA-N 1 0 381.586 3.244 20 10 GGCDRO CCN(C)c1ccc([C@H](C)[NH2+]C2CCN(S(=O)(=O)CC(C)C)CC2)cc1 ZINC000180025228 1429700762 /nfs/dbraw/zinc/70/07/62/1429700762.db2.gz NUOWIBKBOOMWNL-KRWDZBQOSA-N 1 0 381.586 3.244 20 10 GGCDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NCc2ccc(N3CCSCC3)cc2)C1 ZINC000158222093 1424199348 /nfs/dbraw/zinc/19/93/48/1424199348.db2.gz ACLRVUXUPGRJJM-IBGZPJMESA-N 1 0 390.597 3.017 20 10 GGCDRO CN(CC[NH2+]Cc1ccc(N2CCCCC2)cc1)S(=O)(=O)c1cccs1 ZINC000158339128 1424231097 /nfs/dbraw/zinc/23/10/97/1424231097.db2.gz SEKQDMVQYQJSDK-UHFFFAOYSA-N 1 0 393.578 3.149 20 10 GGCDRO CC(=O)Nc1ccc(OC[C@H](O)C[N@H+](Cc2cc(F)ccc2O)C(C)C)cc1 ZINC000180089712 1429732524 /nfs/dbraw/zinc/73/25/24/1429732524.db2.gz FRKZCEYXVWINAU-LJQANCHMSA-N 1 0 390.455 3.140 20 10 GGCDRO COc1cc(O)c(C[N@@H+]2CCCN(C(=O)c3cccc(C)c3)CC2)cc1OC ZINC000159737765 1424528745 /nfs/dbraw/zinc/52/87/45/1424528745.db2.gz VPWVUFAOZHEWGO-UHFFFAOYSA-N 1 0 384.476 3.066 20 10 GGCDRO COc1cc(O)c(C[NH+]2CCC(NC(=O)c3ccc(C)s3)CC2)cc1OC ZINC000160046628 1424566816 /nfs/dbraw/zinc/56/68/16/1424566816.db2.gz YFPAJGJALOMPHH-UHFFFAOYSA-N 1 0 390.505 3.174 20 10 GGCDRO CCN1CCN(C(=O)CC2CC[NH+](Cc3cc4c(cc3O)CCCC4)CC2)CC1 ZINC000160166266 1424582344 /nfs/dbraw/zinc/58/23/44/1424582344.db2.gz RNLBWVLIJQPXQT-UHFFFAOYSA-N 1 0 399.579 3.037 20 10 GGCDRO Oc1ccccc1C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@@H]1CCCO1 ZINC000160183420 1424583598 /nfs/dbraw/zinc/58/35/98/1424583598.db2.gz FPAYRXWOUJWYSI-QFIPXVFZSA-N 1 0 382.504 3.410 20 10 GGCDRO CN(C)C(=O)COc1ccccc1C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000160191202 1424585388 /nfs/dbraw/zinc/58/53/88/1424585388.db2.gz AYYVAKDGUYZUES-HXUWFJFHSA-N 1 0 398.503 3.040 20 10 GGCDRO COc1cc(O)c(C[NH+]2CCC(C(=O)Nc3ccc(F)cc3)CC2)cc1OC ZINC000160245332 1424589997 /nfs/dbraw/zinc/58/99/97/1424589997.db2.gz NWUPHRVYFVLFGO-UHFFFAOYSA-N 1 0 388.439 3.399 20 10 GGCDRO COc1cc(O)c(C[N@@H+]2CCCN(C(=O)CCc3ccccc3)CC2)cc1OC ZINC000160371219 1424599262 /nfs/dbraw/zinc/59/92/62/1424599262.db2.gz WWKUCFJWBLXVEM-UHFFFAOYSA-N 1 0 398.503 3.077 20 10 GGCDRO C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(N(C)C)cc1 ZINC000160421795 1424603117 /nfs/dbraw/zinc/60/31/17/1424603117.db2.gz JRALHBGWLXBMGW-QGZVFWFLSA-N 1 0 387.549 3.388 20 10 GGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)C(=O)NCc1ccccc1 ZINC000161215626 1424667528 /nfs/dbraw/zinc/66/75/28/1424667528.db2.gz JXFWRROCSXLKIU-DLBZAZTESA-N 1 0 385.483 3.018 20 10 GGCDRO C[C@@H](NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1 ZINC000161816836 1424771376 /nfs/dbraw/zinc/77/13/76/1424771376.db2.gz VXVOVYHANPBWLF-QZTJIDSGSA-N 1 0 399.510 3.360 20 10 GGCDRO C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000161967438 1424804095 /nfs/dbraw/zinc/80/40/95/1424804095.db2.gz XHHBSAARMKUDSM-SFHVURJKSA-N 1 0 399.510 3.141 20 10 GGCDRO C[C@H]([NH2+]C1CCN(Cc2ccccn2)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000162227152 1424828721 /nfs/dbraw/zinc/82/87/21/1424828721.db2.gz UCPFHYZFEUEKTC-SFHVURJKSA-N 1 0 398.526 3.373 20 10 GGCDRO COc1cc(C[NH2+][C@@H](C)c2ccc(N3CCCCC3)cc2)ccc1OCC(N)=O ZINC000162668293 1424877343 /nfs/dbraw/zinc/87/73/43/1424877343.db2.gz IIVZDVLBKBMHEU-KRWDZBQOSA-N 1 0 397.519 3.400 20 10 GGCDRO COc1ccc(N2CCN(CCC[NH2+][C@@H](C)c3cnn(C(C)C)c3)CC2)cc1 ZINC000162832754 1424894914 /nfs/dbraw/zinc/89/49/14/1424894914.db2.gz DPMOEORCKFOUHZ-IBGZPJMESA-N 1 0 385.556 3.336 20 10 GGCDRO COCCOc1ccccc1C(=O)Nc1cccc(N2CC[NH+](C(C)C)CC2)c1 ZINC000162959387 1424913252 /nfs/dbraw/zinc/91/32/52/1424913252.db2.gz LJGIVQNFWIOJDF-UHFFFAOYSA-N 1 0 397.519 3.495 20 10 GGCDRO C[C@@H]([NH2+]C[C@H]1CCN(CC(F)(F)F)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000163118902 1424944449 /nfs/dbraw/zinc/94/44/49/1424944449.db2.gz KWENKQLYMGMHSN-HUUCEWRRSA-N 1 0 389.437 3.197 20 10 GGCDRO COc1ccc(N2CCC([NH2+]Cc3cccc(CN4CCOCC4)c3)CC2)cc1 ZINC000163719019 1425037592 /nfs/dbraw/zinc/03/75/92/1425037592.db2.gz ORGXYYKRUHABJM-UHFFFAOYSA-N 1 0 395.547 3.286 20 10 GGCDRO COc1cccc2c1OC[C@@H]([NH2+][C@H](C)c1ccc(N3CCOCC3)c(F)c1)C2 ZINC000164577485 1425125422 /nfs/dbraw/zinc/12/54/22/1425125422.db2.gz NQDXOPQVNBLHEZ-QAPCUYQASA-N 1 0 386.467 3.325 20 10 GGCDRO C[C@@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000164574388 1425125691 /nfs/dbraw/zinc/12/56/91/1425125691.db2.gz GKTPWBRPNDHBLK-WBVHZDCISA-N 1 0 393.503 3.322 20 10 GGCDRO C[C@H]([NH2+]CCc1cccc(C(=O)N(C)C)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000165183535 1425169278 /nfs/dbraw/zinc/16/92/78/1425169278.db2.gz JWUPJEUICOXQJJ-KRWDZBQOSA-N 1 0 399.510 3.257 20 10 GGCDRO O[C@@](C[NH2+]Cc1ccc(N2CCOCC2)cc1)(c1ccccc1)C(F)(F)F ZINC000170790936 1425343981 /nfs/dbraw/zinc/34/39/81/1425343981.db2.gz WXDYIORBIFAOTI-IBGZPJMESA-N 1 0 380.410 3.063 20 10 GGCDRO COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(N3CC[NH+](C(C)C)CC3)cc2)c1 ZINC000170900602 1425385896 /nfs/dbraw/zinc/38/58/96/1425385896.db2.gz UGNOYUBHINLYIF-QGZVFWFLSA-N 1 0 397.519 3.422 20 10 GGCDRO COc1ccc2ccc(O)c(C[NH+]3CCN(Cc4nc(C)c(C)o4)CC3)c2c1 ZINC000171356283 1425636656 /nfs/dbraw/zinc/63/66/56/1425636656.db2.gz RGSPPGJMUZKEAN-UHFFFAOYSA-N 1 0 381.476 3.477 20 10 GGCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000171380427 1425650956 /nfs/dbraw/zinc/65/09/56/1425650956.db2.gz CLSMYTKRJPWWJS-INIZCTEOSA-N 1 0 387.549 3.170 20 10 GGCDRO Cc1cc(/C=C2/SC(=S)N(CCCN3CCOCC3)C2=O)ccc1F ZINC000171770409 1425816042 /nfs/dbraw/zinc/81/60/42/1425816042.db2.gz IDASFGRSLLBFGJ-FOWTUZBSSA-N 1 0 380.510 3.058 20 10 GGCDRO CCCN(Cc1ccccc1O)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000171781621 1425819103 /nfs/dbraw/zinc/81/91/03/1425819103.db2.gz CITYQVKYQBNARH-UHFFFAOYSA-N 1 0 382.508 3.373 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3cnc(C)nc3C(C)C)cc2F)CC1 ZINC000172108661 1425898132 /nfs/dbraw/zinc/89/81/32/1425898132.db2.gz MXUQHJKDLCXIHJ-UHFFFAOYSA-N 1 0 399.514 3.119 20 10 GGCDRO Cc1cc(C(=O)N2CC[NH+](CC3CCOCC3)CC2)c(C)n1-c1ccc(F)cc1 ZINC000172386008 1426022501 /nfs/dbraw/zinc/02/25/01/1426022501.db2.gz OJWPDYFXADOXKO-UHFFFAOYSA-N 1 0 399.510 3.418 20 10 GGCDRO COc1ccc(N2CC[NH+](C[C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)cc1 ZINC000172730136 1426163886 /nfs/dbraw/zinc/16/38/86/1426163886.db2.gz KTZPNZLSUZWCPG-KRWDZBQOSA-N 1 0 375.513 3.074 20 10 GGCDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000172738852 1426168219 /nfs/dbraw/zinc/16/82/19/1426168219.db2.gz WOFWKXKNWCRZOK-LJQANCHMSA-N 1 0 389.540 3.212 20 10 GGCDRO CCN(Cc1cc(Br)ccc1O)C(=O)NCCC[NH+](CC)CC ZINC000173313037 1426496745 /nfs/dbraw/zinc/49/67/45/1426496745.db2.gz QOAJOMHVOXOWRN-UHFFFAOYSA-N 1 0 386.334 3.418 20 10 GGCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000173365161 1426538423 /nfs/dbraw/zinc/53/84/23/1426538423.db2.gz ZLBMAHQDTZWXMQ-INIZCTEOSA-N 1 0 387.549 3.170 20 10 GGCDRO CCN(Cc1cc(Br)ccc1O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000173643275 1426808041 /nfs/dbraw/zinc/80/80/41/1426808041.db2.gz PNGBVLFMNWKWDW-UHFFFAOYSA-N 1 0 396.329 3.313 20 10 GGCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CC[C@H](COCc3ccccc3)C2)cc1 ZINC000173976145 1426920660 /nfs/dbraw/zinc/92/06/60/1426920660.db2.gz DFTDDRULPSAPOJ-QFIPXVFZSA-N 1 0 395.547 3.250 20 10 GGCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CC[C@@H](COCc3ccccc3)C2)cc1 ZINC000173976159 1426920804 /nfs/dbraw/zinc/92/08/04/1426920804.db2.gz DFTDDRULPSAPOJ-JOCHJYFZSA-N 1 0 395.547 3.250 20 10 GGCDRO COc1cccc(CNC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)c1O ZINC000174119264 1427009929 /nfs/dbraw/zinc/00/99/29/1427009929.db2.gz TYNSXLKAHHHXTQ-UHFFFAOYSA-N 1 0 387.455 3.004 20 10 GGCDRO COCc1cccc(C[NH2+]CCCN2CCN(c3ccc(OC)cc3)CC2)c1 ZINC000174248851 1427069199 /nfs/dbraw/zinc/06/91/99/1427069199.db2.gz GXCGILATVCNTSQ-UHFFFAOYSA-N 1 0 383.536 3.144 20 10 GGCDRO O=CNc1ccc(C(=O)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)cc1 ZINC000174259756 1427073243 /nfs/dbraw/zinc/07/32/43/1427073243.db2.gz WSZCVJWTDUDBAZ-UHFFFAOYSA-N 1 0 378.476 3.039 20 10 GGCDRO NC(=O)[C@H]([NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(F)cc1 ZINC000174282744 1427084310 /nfs/dbraw/zinc/08/43/10/1427084310.db2.gz NSPFQYLLVGKCBA-CRAIPNDOSA-N 1 0 393.409 3.212 20 10 GGCDRO Cc1cc(O)c(C[NH2+]Cc2ccc(CS(=O)(=O)NC(C)C)cc2)cc1C ZINC000174305661 1427093565 /nfs/dbraw/zinc/09/35/65/1427093565.db2.gz FKWJPPSQWLCDCH-UHFFFAOYSA-N 1 0 376.522 3.127 20 10 GGCDRO COc1ccccc1CC(=O)N1CCC([NH2+]Cc2cc(C)c(C)cc2O)CC1 ZINC000174326272 1427102958 /nfs/dbraw/zinc/10/29/58/1427102958.db2.gz NJTZNBHEMBOVIO-UHFFFAOYSA-N 1 0 382.504 3.341 20 10 GGCDRO Cc1cc(O)c(C[NH2+]Cc2ccccc2CS(=O)(=O)NC(C)C)cc1C ZINC000174348795 1427114706 /nfs/dbraw/zinc/11/47/06/1427114706.db2.gz PFDVOSPOHQYARF-UHFFFAOYSA-N 1 0 376.522 3.127 20 10 GGCDRO CCC[N@H+](Cc1ccccc1O)[C@H](C)C(=O)NCc1ccc(OC)c(OC)c1 ZINC000174373297 1427126373 /nfs/dbraw/zinc/12/63/73/1427126373.db2.gz GMYWFDBTHAAFKM-MRXNPFEDSA-N 1 0 386.492 3.326 20 10 GGCDRO Cc1cc(O)c(C[NH2+]C2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1C ZINC000174407080 1427144579 /nfs/dbraw/zinc/14/45/79/1427144579.db2.gz BFDGNVPYCVUFNM-UHFFFAOYSA-N 1 0 388.533 3.093 20 10 GGCDRO COc1ccc(C(=O)N2CCC([NH2+]Cc3cc(C)c(C)cc3O)CC2)cc1OC ZINC000174407875 1427145290 /nfs/dbraw/zinc/14/52/90/1427145290.db2.gz YXPVNBFCRKZILB-UHFFFAOYSA-N 1 0 398.503 3.421 20 10 GGCDRO CC[N@H+](CCC(=O)Nc1cc(C)on1)Cc1cc(Br)ccc1O ZINC000174423937 1427150746 /nfs/dbraw/zinc/15/07/46/1427150746.db2.gz XVWWICPPKVTYDL-UHFFFAOYSA-N 1 0 382.258 3.302 20 10 GGCDRO CC[N@H+](CC(=O)N(C)Cc1ccco1)Cc1cc(Br)ccc1O ZINC000174426620 1427151641 /nfs/dbraw/zinc/15/16/41/1427151641.db2.gz RGYKZXJVSOFCMY-UHFFFAOYSA-N 1 0 381.270 3.228 20 10 GGCDRO CC[N@H+](Cc1cc(Br)ccc1O)[C@H](C)C(=O)NCC(F)(F)F ZINC000174426294 1427151694 /nfs/dbraw/zinc/15/16/94/1427151694.db2.gz UUKSUCSMPVUFRC-SECBINFHSA-N 1 0 383.208 3.044 20 10 GGCDRO CC[N@@H+](Cc1cc(Br)ccc1O)C[C@@H](O)COCc1ccco1 ZINC000174426342 1427151755 /nfs/dbraw/zinc/15/17/55/1427151755.db2.gz OKTMPIBZINERDP-OAHLLOKOSA-N 1 0 384.270 3.147 20 10 GGCDRO CC(C)(C)c1cc(C[NH2+]CCOCCS(C)(=O)=O)c(O)c(C(C)(C)C)c1 ZINC000174512746 1427194807 /nfs/dbraw/zinc/19/48/07/1427194807.db2.gz JPYASXKLXKYWJH-UHFFFAOYSA-N 1 0 385.570 3.138 20 10 GGCDRO C[C@H](CNC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[N@H+](C)C1CC1 ZINC000174736273 1427339653 /nfs/dbraw/zinc/33/96/53/1427339653.db2.gz JKLAODGDYISMEW-CABCVRRESA-N 1 0 396.482 3.039 20 10 GGCDRO COc1ccc(N2CCC[N@H+](CCC(=O)Nc3cccc(OC)c3)CC2)cc1 ZINC000174743654 1427343934 /nfs/dbraw/zinc/34/39/34/1427343934.db2.gz MFCMXYMIXXKIPL-UHFFFAOYSA-N 1 0 383.492 3.245 20 10 GGCDRO CC(C)[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)/C=C/c1ccc(N3CCOCC3)cc1)C2 ZINC000174979752 1427476642 /nfs/dbraw/zinc/47/66/42/1427476642.db2.gz LUNXYXRLMOLLIM-IABFQIFGSA-N 1 0 383.536 3.010 20 10 GGCDRO C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000180205775 1429801485 /nfs/dbraw/zinc/80/14/85/1429801485.db2.gz JTDUKGGMHZABFG-YLJYHZDGSA-N 1 0 389.540 3.258 20 10 GGCDRO CCOCc1cc(C[NH2+][C@@H]2CC(=O)N(c3c(F)cccc3F)C2)ccc1OC ZINC000180216333 1429804516 /nfs/dbraw/zinc/80/45/16/1429804516.db2.gz DMGVDRHJSXTXMA-MRXNPFEDSA-N 1 0 390.430 3.405 20 10 GGCDRO CCN(CC)c1ccc(C[NH2+]CCOc2ccc(NS(C)(=O)=O)cc2)cc1 ZINC000180356757 1429845007 /nfs/dbraw/zinc/84/50/07/1429845007.db2.gz BFNPXYWNQWDMHA-UHFFFAOYSA-N 1 0 391.537 3.073 20 10 GGCDRO O=S(=O)(NC1CCCC1)[C@@H]1CCC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000180556455 1429897072 /nfs/dbraw/zinc/89/70/72/1429897072.db2.gz ZMHRDNZTBYFZPJ-GOSISDBHSA-N 1 0 388.533 3.372 20 10 GGCDRO COc1ccccc1[C@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)[NH+]1CCCC1 ZINC000180597635 1429922365 /nfs/dbraw/zinc/92/23/65/1429922365.db2.gz GORFGVTYKSRVMI-CKDFRHGISA-N 1 0 382.460 3.073 20 10 GGCDRO CC[C@@H]([NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccc2c(c1)OCCO2 ZINC000180612137 1429932932 /nfs/dbraw/zinc/93/29/32/1429932932.db2.gz PZARRBLYRWJMFK-HXUWFJFHSA-N 1 0 397.519 3.223 20 10 GGCDRO CC[NH+](CC)[C@@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)c1cccc(OC)c1 ZINC000180619732 1429936991 /nfs/dbraw/zinc/93/69/91/1429936991.db2.gz FEAUDCBENHVJJA-RDELFYGPSA-N 1 0 384.476 3.319 20 10 GGCDRO C[C@H]([NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccc(-n2cccn2)cc1 ZINC000180814390 1430055372 /nfs/dbraw/zinc/05/53/72/1430055372.db2.gz JLJCMMIMXQOYNT-SFHVURJKSA-N 1 0 391.519 3.248 20 10 GGCDRO C[C@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(N2CCCCC2)c(F)c1 ZINC000180961538 1430137865 /nfs/dbraw/zinc/13/78/65/1430137865.db2.gz SZTPRXVTDVLUDL-KXBFYZLASA-N 1 0 385.487 3.006 20 10 GGCDRO C[C@@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(N2CCCCC2)c(F)c1 ZINC000180961518 1430138045 /nfs/dbraw/zinc/13/80/45/1430138045.db2.gz SZTPRXVTDVLUDL-DNVCBOLYSA-N 1 0 385.487 3.006 20 10 GGCDRO C[C@@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(N2CCCCCC2)cc1 ZINC000180964221 1430140012 /nfs/dbraw/zinc/14/00/12/1430140012.db2.gz LXBYECHGLDUSMQ-DYESRHJHSA-N 1 0 381.524 3.257 20 10 GGCDRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000181022125 1430172077 /nfs/dbraw/zinc/17/20/77/1430172077.db2.gz VBXINVYOAVKSST-CSKARUKUSA-N 1 0 380.488 3.482 20 10 GGCDRO C[NH+](C)C1CCN(c2ccc(NC(=O)/C=C/c3ccc(O)c(O)c3)cc2F)CC1 ZINC000181035173 1430179478 /nfs/dbraw/zinc/17/94/78/1430179478.db2.gz UBOJKYXBKGMKRY-XBXARRHUSA-N 1 0 399.466 3.419 20 10 GGCDRO C[C@@H]([NH2+][C@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc(N2CCCCC2)c(F)c1 ZINC000181177772 1430239155 /nfs/dbraw/zinc/23/91/55/1430239155.db2.gz WBPAGZYFLOKWBU-APWZRJJASA-N 1 0 399.514 3.396 20 10 GGCDRO Cc1cc(N2CC[C@@H]([NH2+][C@@H](C)c3ccc(N4CCCCC4)cc3)C2=O)n(C)n1 ZINC000181188525 1430242254 /nfs/dbraw/zinc/24/22/54/1430242254.db2.gz HRQBGRUUTDNLIN-FXAWDEMLSA-N 1 0 381.524 3.175 20 10 GGCDRO Cc1cc(N2CC[C@H]([NH2+][C@@H](C)c3ccc(N4CCCCC4)c(F)c3)C2=O)n(C)n1 ZINC000181189224 1430242974 /nfs/dbraw/zinc/24/29/74/1430242974.db2.gz QLEYRYHAXUABHH-LPHOPBHVSA-N 1 0 399.514 3.314 20 10 GGCDRO C[C@H]([NH2+]Cc1ccc([S@@](C)=O)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000181250622 1430256484 /nfs/dbraw/zinc/25/64/84/1430256484.db2.gz GTYIFOOAWJBNCN-QWXGXRTQSA-N 1 0 376.497 3.251 20 10 GGCDRO C[C@H]([NH2+]Cc1ccc([S@](C)=O)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000181250583 1430256555 /nfs/dbraw/zinc/25/65/55/1430256555.db2.gz GTYIFOOAWJBNCN-HAWMADMCSA-N 1 0 376.497 3.251 20 10 GGCDRO C[C@H]([NH2+]C1CCN(S(=O)(=O)C2CC2)CC1)c1ccc(N2CCCCC2)cc1 ZINC000181270861 1430260174 /nfs/dbraw/zinc/26/01/74/1430260174.db2.gz RZLTYVQEGBEPEG-KRWDZBQOSA-N 1 0 391.581 3.284 20 10 GGCDRO COCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccc(N3CCCCCC3)cc1)CC2 ZINC000181301423 1430267105 /nfs/dbraw/zinc/26/71/05/1430267105.db2.gz KEUSDXPHEYNCCD-PKOBYXMFSA-N 1 0 383.540 3.471 20 10 GGCDRO COCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccc(N3CCCCCC3)cc1)CC2 ZINC000181301455 1430267323 /nfs/dbraw/zinc/26/73/23/1430267323.db2.gz KEUSDXPHEYNCCD-HKUYNNGSSA-N 1 0 383.540 3.471 20 10 GGCDRO C[C@H]([NH2+]CCOc1ncccc1Cl)c1ccc(N2CCOCC2)c(F)c1 ZINC000181322290 1430272815 /nfs/dbraw/zinc/27/28/15/1430272815.db2.gz GSVBZRKXOSWCRJ-AWEZNQCLSA-N 1 0 379.863 3.440 20 10 GGCDRO CC[C@@H]([NH2+]CCN(C)S(=O)(=O)c1cccs1)c1ccc(N(C)C)cc1 ZINC000181502163 1430311425 /nfs/dbraw/zinc/31/14/25/1430311425.db2.gz FCZVXVVPQWICOB-QGZVFWFLSA-N 1 0 381.567 3.176 20 10 GGCDRO COc1ccc(N2CCC[N@H+](CC3CCN(C(=O)C(C)(C)C)CC3)CC2)cc1 ZINC000181650471 1430334988 /nfs/dbraw/zinc/33/49/88/1430334988.db2.gz WMHYRPQLBCNPPK-UHFFFAOYSA-N 1 0 387.568 3.492 20 10 GGCDRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]Cc2cc(Cl)cc(C(C)=O)c2O)c1 ZINC000181928125 1430384763 /nfs/dbraw/zinc/38/47/63/1430384763.db2.gz PJXYWZFBLDEGLL-LLVKDONJSA-N 1 0 396.896 3.007 20 10 GGCDRO C[C@@H]([NH2+]CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)c1ccccc1 ZINC000182053374 1430402744 /nfs/dbraw/zinc/40/27/44/1430402744.db2.gz PTTPRFDAGWRCQH-KZNAEPCWSA-N 1 0 399.510 3.406 20 10 GGCDRO C[C@H]([NH2+]C[C@@H]1COC2(CCCCC2)O1)c1ccc(N2CCOCC2)c(F)c1 ZINC000182131008 1430417069 /nfs/dbraw/zinc/41/70/69/1430417069.db2.gz VZOPQTUSARBWNI-FUHWJXTLSA-N 1 0 378.488 3.389 20 10 GGCDRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+]Cc2cccc(C)c2O)s1 ZINC000182190505 1430427392 /nfs/dbraw/zinc/42/73/92/1430427392.db2.gz NGEXBKRTGIVERZ-UHFFFAOYSA-N 1 0 382.551 3.125 20 10 GGCDRO C[C@H](c1ccccc1)[N@H+](CC(=O)NCC(=O)OC(C)(C)C)Cc1ccccc1O ZINC000182300889 1430445115 /nfs/dbraw/zinc/44/51/15/1430445115.db2.gz KBCZMRLNCZZTNJ-QGZVFWFLSA-N 1 0 398.503 3.413 20 10 GGCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)NCCOc2ccc(C(C)C)cc2)c1 ZINC000182395158 1430459015 /nfs/dbraw/zinc/45/90/15/1430459015.db2.gz UKMMVVVWBBWFBC-INIZCTEOSA-N 1 0 386.492 3.370 20 10 GGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)NCc2ccc(OC(F)(F)F)cc2)c1 ZINC000182453788 1430470450 /nfs/dbraw/zinc/47/04/50/1430470450.db2.gz FCPVNJJIKCBLIX-GFCCVEGCSA-N 1 0 398.381 3.266 20 10 GGCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)N(Cc2ccco2)CC(F)(F)F)c1 ZINC000182458890 1430471222 /nfs/dbraw/zinc/47/12/22/1430471222.db2.gz NFMMKQGJMGCIKV-LBPRGKRZSA-N 1 0 386.370 3.236 20 10 GGCDRO COc1ccc([C@@H](NC(=O)C[NH2+][C@@H](C)c2cc(OC)ccc2O)C2CC2)cc1 ZINC000182463016 1430471825 /nfs/dbraw/zinc/47/18/25/1430471825.db2.gz NJPTVFHJDBWCKJ-FPTDNZKUSA-N 1 0 384.476 3.328 20 10 GGCDRO COc1ccc([C@@H](NC(=O)C[NH2+][C@H](C)c2cc(OC)ccc2O)C2CC2)cc1 ZINC000182463037 1430471849 /nfs/dbraw/zinc/47/18/49/1430471849.db2.gz NJPTVFHJDBWCKJ-PEBXRYMYSA-N 1 0 384.476 3.328 20 10 GGCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)N[C@H](c2nccs2)c2ccccc2)c1 ZINC000182471538 1430473544 /nfs/dbraw/zinc/47/35/44/1430473544.db2.gz MKZDPYCNRXQQBL-XOBRGWDASA-N 1 0 397.500 3.414 20 10 GGCDRO CC(=O)Nc1cccc([C@H](C)[NH2+]CC(=O)N(C)Cc2ccc(N(C)C)cc2)c1 ZINC000182522281 1430483166 /nfs/dbraw/zinc/48/31/66/1430483166.db2.gz KRIDITNZQTXOCP-INIZCTEOSA-N 1 0 382.508 3.020 20 10 GGCDRO COc1ccc(O)c(C[NH2+]C[C@H](CO)Cc2ccc(OC(F)(F)F)cc2)c1 ZINC000182630593 1430505830 /nfs/dbraw/zinc/50/58/30/1430505830.db2.gz OXANFWZSHLARIC-CQSZACIVSA-N 1 0 385.382 3.240 20 10 GGCDRO CCN(CC)c1ccc(CNC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1F ZINC000182806379 1430543561 /nfs/dbraw/zinc/54/35/61/1430543561.db2.gz WJJRYRIISZCTBL-MJGOQNOKSA-N 1 0 376.520 3.298 20 10 GGCDRO Cc1cc(C)cc([C@@H](C)[NH2+]CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000182923262 1430572482 /nfs/dbraw/zinc/57/24/82/1430572482.db2.gz LARIEBUNQKJQQI-GOSISDBHSA-N 1 0 399.510 3.246 20 10 GGCDRO CCC[N@H+](Cc1ccc(OCc2ccccc2)cc1O)[C@H]1CCS(=O)(=O)C1 ZINC000182952963 1430579640 /nfs/dbraw/zinc/57/96/40/1430579640.db2.gz FUVGKGHCONSDRP-IBGZPJMESA-N 1 0 389.517 3.370 20 10 GGCDRO Cn1cnnc1C1CC[NH+](Cc2ccc(OCc3ccccc3)cc2O)CC1 ZINC000183001729 1430589544 /nfs/dbraw/zinc/58/95/44/1430589544.db2.gz RJJDPZFCDYHPKC-UHFFFAOYSA-N 1 0 378.476 3.479 20 10 GGCDRO Oc1cc(OCc2ccccc2)ccc1C[N@@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000183011656 1430592226 /nfs/dbraw/zinc/59/22/26/1430592226.db2.gz PGXDXEZTASLVKD-OAQYLSRUSA-N 1 0 382.504 3.268 20 10 GGCDRO CC[C@H](C)[C@@H](C)[NH2+]CC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000183015811 1430593271 /nfs/dbraw/zinc/59/32/71/1430593271.db2.gz FWWGKHZTTJSXDJ-MWDXBVQZSA-N 1 0 379.520 3.080 20 10 GGCDRO Cn1cc(N2CC[NH+](Cc3ccc(OCc4ccccc4)cc3O)CC2)cn1 ZINC000183071865 1430605933 /nfs/dbraw/zinc/60/59/33/1430605933.db2.gz QWRBAWFIQMYQRP-UHFFFAOYSA-N 1 0 378.476 3.027 20 10 GGCDRO COc1ccc([C@@H](C[NH2+][C@@H](C)c2ccccc2O)N2CCOCC2)cc1OC ZINC000183386797 1430697712 /nfs/dbraw/zinc/69/77/12/1430697712.db2.gz KJIKXOSDQYIMNM-QFBILLFUSA-N 1 0 386.492 3.134 20 10 GGCDRO COc1cc(N2CC[NH+](CCCOc3ccccc3)CC2)cc(OC)c1OC ZINC000183696537 1430775389 /nfs/dbraw/zinc/77/53/89/1430775389.db2.gz LGZQDWWGMNANNM-UHFFFAOYSA-N 1 0 386.492 3.304 20 10 GGCDRO COc1cc(N2CC[NH+]([C@@H](C)c3ccc(C#N)cc3)CC2)cc(OC)c1OC ZINC000183696282 1430775593 /nfs/dbraw/zinc/77/55/93/1430775593.db2.gz POFPTNSVGXCPFO-INIZCTEOSA-N 1 0 381.476 3.467 20 10 GGCDRO CCC[N@H+](CCCS(=O)(=O)c1ccccc1OC)Cc1ccccc1O ZINC000184226904 1430859120 /nfs/dbraw/zinc/85/91/20/1430859120.db2.gz ZKGBIKSUHOVZJU-UHFFFAOYSA-N 1 0 377.506 3.477 20 10 GGCDRO COc1cc(Cl)cc(C[NH2+][C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c1O ZINC000184706266 1430947674 /nfs/dbraw/zinc/94/76/74/1430947674.db2.gz KCQQZENRSRCTIO-GFCCVEGCSA-N 1 0 398.912 3.155 20 10 GGCDRO COc1cc(N2CC[NH+](Cc3ccc(N(C)C)cc3)CC2)cc(OC)c1OC ZINC000184753503 1430966760 /nfs/dbraw/zinc/96/67/60/1430966760.db2.gz SEABGPFBPHDPAE-UHFFFAOYSA-N 1 0 385.508 3.101 20 10 GGCDRO COc1ccc([C@H](C[NH2+][C@H](C)c2cc(OC)ccc2O)N2CCOCC2)cc1 ZINC000184859173 1431005224 /nfs/dbraw/zinc/00/52/24/1431005224.db2.gz JDUYAXMTZTUSEV-IERDGZPVSA-N 1 0 386.492 3.134 20 10 GGCDRO C[C@H](CCNC(=O)NCc1ccc(N2CCSCC2)cc1)[NH+]1CCCCC1 ZINC000184871924 1431008466 /nfs/dbraw/zinc/00/84/66/1431008466.db2.gz HKROLEVQSOKFLT-GOSISDBHSA-N 1 0 390.597 3.304 20 10 GGCDRO COc1ccc(N2CCN(CCC[NH2+][C@H](C)c3cc(OC)ccc3O)CC2)cc1 ZINC000184900630 1431017030 /nfs/dbraw/zinc/01/70/30/1431017030.db2.gz DZKRUGVDMLLZFC-GOSISDBHSA-N 1 0 399.535 3.272 20 10 GGCDRO COc1ccc(N2CCC(NC(=O)NCC[C@@H](C)[NH+]3CCCCC3)CC2)cc1 ZINC000185043575 1431047900 /nfs/dbraw/zinc/04/79/00/1431047900.db2.gz XDZMKHGTVXQGAI-GOSISDBHSA-N 1 0 388.556 3.228 20 10 GGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccc(NC(=O)CCN3CCOCC3)c2)c(O)c1 ZINC000185080636 1431056261 /nfs/dbraw/zinc/05/62/61/1431056261.db2.gz FHMRLZITBXPKHY-GOSISDBHSA-N 1 0 397.519 3.212 20 10 GGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(CS(=O)(=O)NC(C)C)cc2)c1 ZINC000185135952 1431069534 /nfs/dbraw/zinc/06/95/34/1431069534.db2.gz XHEZDXMOYHATLH-HNNXBMFYSA-N 1 0 392.521 3.079 20 10 GGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(CS(=O)(=O)NC(C)C)cc2)c(O)c1 ZINC000185136000 1431069578 /nfs/dbraw/zinc/06/95/78/1431069578.db2.gz FYVZMRWCSBTVML-MRXNPFEDSA-N 1 0 376.522 3.379 20 10 GGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(CS(=O)(=O)NC(C)C)cc2)c1 ZINC000185135861 1431069678 /nfs/dbraw/zinc/06/96/78/1431069678.db2.gz CPUHCNCBSPBVKV-MRXNPFEDSA-N 1 0 376.522 3.379 20 10 GGCDRO C[NH+](C)CC1(CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)CCCC1 ZINC000185162658 1431074930 /nfs/dbraw/zinc/07/49/30/1431074930.db2.gz HWVZUTMNCJUCRC-IBGZPJMESA-N 1 0 389.540 3.205 20 10 GGCDRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2cc(OC)ccc2O)cc1 ZINC000185169204 1431076576 /nfs/dbraw/zinc/07/65/76/1431076576.db2.gz UOFPURMBSRBIDR-HNNXBMFYSA-N 1 0 392.521 3.282 20 10 GGCDRO Cc1ccc([C@@H](C)[NH2+]CCC(=O)N2CCN(c3ccc(F)cc3)CC2)c(O)c1 ZINC000185178485 1431078528 /nfs/dbraw/zinc/07/85/28/1431078528.db2.gz YZZMALRTFKGLPB-QGZVFWFLSA-N 1 0 385.483 3.229 20 10 GGCDRO Cc1ccc(S(=O)(=O)NCC[NH2+][C@H](C)c2ccc3ccccc3c2O)cc1 ZINC000185195041 1431081969 /nfs/dbraw/zinc/08/19/69/1431081969.db2.gz FOGITTVIPHLUOZ-MRXNPFEDSA-N 1 0 384.501 3.483 20 10 GGCDRO COc1ccc(O)c(CNC(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)c1 ZINC000185434908 1431144899 /nfs/dbraw/zinc/14/48/99/1431144899.db2.gz SARUKIWKCNZAKM-HXUWFJFHSA-N 1 0 383.492 3.111 20 10 GGCDRO O=C1C[C@H]([NH2+]Cc2cc(F)ccc2O)CN1Cc1ccccc1C(F)(F)F ZINC000185655230 1431197217 /nfs/dbraw/zinc/19/72/17/1431197217.db2.gz SSOKZIITAJIKRL-HNNXBMFYSA-N 1 0 382.357 3.441 20 10 GGCDRO CCCOc1ccc(C[NH2+]Cc2ccc(N3CCCS3(=O)=O)cc2)c(O)c1 ZINC000185857870 1431253385 /nfs/dbraw/zinc/25/33/85/1431253385.db2.gz QZWSANJWJLPTKK-UHFFFAOYSA-N 1 0 390.505 3.011 20 10 GGCDRO Cc1ccc([C@H](C)[NH2+]CC2CCN(S(=O)(=O)c3ccccc3)CC2)c(O)c1 ZINC000185974672 1431302524 /nfs/dbraw/zinc/30/25/24/1431302524.db2.gz DMMSZKQXSIDOFR-KRWDZBQOSA-N 1 0 388.533 3.452 20 10 GGCDRO C[C@H]([NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1)c1ccc2ccccc2c1O ZINC000186025975 1431313399 /nfs/dbraw/zinc/31/33/99/1431313399.db2.gz LENNNNZEVYYFCC-ZDUSSCGKSA-N 1 0 398.475 3.460 20 10 GGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCCC(=O)N2CCN(c3ccccc3)CC2)c1 ZINC000186062566 1431322327 /nfs/dbraw/zinc/32/23/27/1431322327.db2.gz UGDAXQRRTPMDMX-SFHVURJKSA-N 1 0 397.519 3.180 20 10 GGCDRO C[C@@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)c1ccc2ccccc2c1O ZINC000186158836 1431344142 /nfs/dbraw/zinc/34/41/42/1431344142.db2.gz YCORCPVASUSHOM-HIFRSBDPSA-N 1 0 391.514 3.092 20 10 GGCDRO CC(C)CS(=O)(=O)N1CCC([NH2+][C@H](C)c2cc3c(cc2O)CCCC3)CC1 ZINC000186376977 1431395865 /nfs/dbraw/zinc/39/58/65/1431395865.db2.gz SNALLSDQYDGBQI-MRXNPFEDSA-N 1 0 394.581 3.372 20 10 GGCDRO CN(C)c1ccc(CN(C)C(=O)CNC(C)(C)c2nc3ccccc3n2C)cc1 ZINC000186553678 1431451841 /nfs/dbraw/zinc/45/18/41/1431451841.db2.gz UKJRNONFOBNKDJ-UHFFFAOYSA-N 1 0 393.535 3.123 20 10 GGCDRO CC[C@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)c(F)c1)c1ccccc1O ZINC000186704848 1431496566 /nfs/dbraw/zinc/49/65/66/1431496566.db2.gz BRCDMXKIRVKNRB-KRWDZBQOSA-N 1 0 378.469 3.312 20 10 GGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)c(F)c1)c1ccc(N(C)C)cc1 ZINC000186715523 1431499667 /nfs/dbraw/zinc/49/96/67/1431499667.db2.gz WXMYYJGDPBCMPM-OAHLLOKOSA-N 1 0 391.512 3.282 20 10 GGCDRO COC(=O)N1CCC([C@@H](C)[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000186765232 1431510876 /nfs/dbraw/zinc/51/08/76/1431510876.db2.gz IEUAXVFMBOBZGP-CVEARBPZSA-N 1 0 393.503 3.180 20 10 GGCDRO COc1ccc(N2CCC[N@H+](Cc3ccc4c(c3)CCC(=O)N4C)CC2)cc1 ZINC000186913494 1431563620 /nfs/dbraw/zinc/56/36/20/1431563620.db2.gz QXHMXAJHABLAFH-UHFFFAOYSA-N 1 0 379.504 3.317 20 10 GGCDRO COc1ccc(N2CCN(CCC[NH2+][C@@H](C)C3CCSCC3)CC2)cc1 ZINC000186949357 1431574492 /nfs/dbraw/zinc/57/44/92/1431574492.db2.gz SGSZJWVLYYWMNB-SFHVURJKSA-N 1 0 377.598 3.329 20 10 GGCDRO CN1c2ccc(C[NH2+]Cc3ccc(N4CCSCC4)cc3)cc2CCC1=O ZINC000187131152 1431625069 /nfs/dbraw/zinc/62/50/69/1431625069.db2.gz CMHQVXPQJORDRT-UHFFFAOYSA-N 1 0 381.545 3.439 20 10 GGCDRO CCOCc1cc(C[NH2+][C@@H](C)CS(=O)(=O)c2ccc(C)cc2)ccc1OC ZINC000187494716 1431748432 /nfs/dbraw/zinc/74/84/32/1431748432.db2.gz BBHZQJQOSOHNLJ-KRWDZBQOSA-N 1 0 391.533 3.492 20 10 GGCDRO COC[C@@H]([NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1CCOCC1 ZINC000188088247 1431845014 /nfs/dbraw/zinc/84/50/14/1431845014.db2.gz YAYCTAQQCIOTGG-QFBILLFUSA-N 1 0 384.467 3.288 20 10 GGCDRO COC[C@H]([NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1CCOCC1 ZINC000188088219 1431845026 /nfs/dbraw/zinc/84/50/26/1431845026.db2.gz YAYCTAQQCIOTGG-LPHOPBHVSA-N 1 0 384.467 3.288 20 10 GGCDRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cccc(O)c1O ZINC000188311527 1431871987 /nfs/dbraw/zinc/87/19/87/1431871987.db2.gz ITYLRBOOOSRELH-UHFFFAOYSA-N 1 0 382.382 3.321 20 10 GGCDRO COc1ccc(N2CCC[N@H+](CCOCC(F)(F)C(F)(F)F)CC2)cc1 ZINC000188848215 1431996895 /nfs/dbraw/zinc/99/68/95/1431996895.db2.gz HNALDXGFESPLCH-UHFFFAOYSA-N 1 0 382.373 3.422 20 10 GGCDRO COc1ccc(N2CCC[N@H+](CCC(=O)N3CCc4ccccc4C3)CC2)cc1 ZINC000188971921 1432019468 /nfs/dbraw/zinc/01/94/68/1432019468.db2.gz RQRCSHIRUDMLJN-UHFFFAOYSA-N 1 0 393.531 3.182 20 10 GGCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3cc(NC(C)=O)ccc3C)c2)CC1 ZINC000189175211 1432057799 /nfs/dbraw/zinc/05/77/99/1432057799.db2.gz MAIOAMNDDSFXAS-UHFFFAOYSA-N 1 0 380.492 3.348 20 10 GGCDRO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)CCO)cc1)c1ccc2ccccc2c1O ZINC000189179171 1432058864 /nfs/dbraw/zinc/05/88/64/1432058864.db2.gz ONLZAKZKMPGSNW-HNNXBMFYSA-N 1 0 385.485 3.162 20 10 GGCDRO C[C@H]1[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)CCCN1C(=O)OC(C)(C)C ZINC000189528441 1432149003 /nfs/dbraw/zinc/14/90/03/1432149003.db2.gz IXJIJRXSMGOWJN-FXAWDEMLSA-N 1 0 389.540 3.401 20 10 GGCDRO CCN(CCC[NH+](C)C)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000189807010 1432240726 /nfs/dbraw/zinc/24/07/26/1432240726.db2.gz VCSGYQZPGYOYSS-INIZCTEOSA-N 1 0 398.498 3.240 20 10 GGCDRO CC(C)N(C)c1ccc(/C=C2/SC(=S)N(C3CC[NH+](C)CC3)C2=O)cn1 ZINC000190400454 1432374287 /nfs/dbraw/zinc/37/42/87/1432374287.db2.gz XUGMMPGABSWMBT-LFIBNONCSA-N 1 0 390.578 3.222 20 10 GGCDRO COc1cccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)n1 ZINC000190788155 1432479933 /nfs/dbraw/zinc/47/99/33/1432479933.db2.gz PSPURCFKAVMLIG-UHFFFAOYSA-N 1 0 381.398 3.235 20 10 GGCDRO CCC1=C(C(=O)NCc2ccc(N3CC[NH+](CC)CC3)c(F)c2)CCCO1 ZINC000191430265 1432660156 /nfs/dbraw/zinc/66/01/56/1432660156.db2.gz VXMTTWMRGXZLBY-UHFFFAOYSA-N 1 0 375.488 3.058 20 10 GGCDRO CCCC[C@@H]1CCC[C@H]1[NH2+]CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000191828191 1432733986 /nfs/dbraw/zinc/73/39/86/1432733986.db2.gz QXGTVIJGIPKNOM-UYAOXDASSA-N 1 0 391.531 3.227 20 10 GGCDRO CN(C)c1ccc(CNC(=O)C[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)cc1 ZINC000192751282 1432884675 /nfs/dbraw/zinc/88/46/75/1432884675.db2.gz WNWAOLYAIRLRME-SIKLNZKXSA-N 1 0 381.520 3.126 20 10 GGCDRO CCCC[N@H+](Cc1cc(OC)cc(C(C)(C)C)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000192942002 1432910838 /nfs/dbraw/zinc/91/08/38/1432910838.db2.gz QSIUBSBJYICUMH-MRXNPFEDSA-N 1 0 383.554 3.488 20 10 GGCDRO Cc1cnn([C@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)c1cccc(O)c1O ZINC000193141486 1432943588 /nfs/dbraw/zinc/94/35/88/1432943588.db2.gz VUJAGPZTPMXESC-KRWDZBQOSA-N 1 0 392.459 3.302 20 10 GGCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000193404537 1432992477 /nfs/dbraw/zinc/99/24/77/1432992477.db2.gz QWXNCNBBOIBEBE-UHFFFAOYSA-N 1 0 395.551 3.344 20 10 GGCDRO O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000194195494 1433136153 /nfs/dbraw/zinc/13/61/53/1433136153.db2.gz TWGKCVHSVKKSGH-JOCHJYFZSA-N 1 0 390.531 3.384 20 10 GGCDRO Cc1ccc(C)n1-c1ccsc1C(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000194224084 1433142339 /nfs/dbraw/zinc/14/23/39/1433142339.db2.gz GLDUFOBWTOFUOK-UHFFFAOYSA-N 1 0 386.565 3.009 20 10 GGCDRO C[NH+]1CCC(N2C(=O)/C(=C\c3ccc(Br)o3)SC2=S)CC1 ZINC000194754524 1433225195 /nfs/dbraw/zinc/22/51/95/1433225195.db2.gz RUGLPDHJOVTPAD-DHZHZOJOSA-N 1 0 387.324 3.338 20 10 GGCDRO Cc1cc(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)c(C)n1-c1ccc(Br)cc1 ZINC000195215112 1433308002 /nfs/dbraw/zinc/30/80/02/1433308002.db2.gz BDRNYRKXTMZJJS-GASCZTMLSA-N 1 0 388.309 3.148 20 10 GGCDRO CCN(CC)c1ccc(CNC(=O)NCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000195563263 1433339523 /nfs/dbraw/zinc/33/95/23/1433339523.db2.gz RBMVYHKUYKJCPX-UHFFFAOYSA-N 1 0 380.536 3.390 20 10 GGCDRO CCOc1cccc(C[NH2+]C2CCN(C(=O)Cc3ccccc3OC)CC2)c1O ZINC000236890977 1433382208 /nfs/dbraw/zinc/38/22/08/1433382208.db2.gz LNHYOHZSKLSHDC-UHFFFAOYSA-N 1 0 398.503 3.123 20 10 GGCDRO CCOc1cccc(C[NH2+]Cc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)c1O ZINC000236911849 1433383026 /nfs/dbraw/zinc/38/30/26/1433383026.db2.gz NCDQWNNPEVTDLK-IAGOWNOFSA-N 1 0 398.503 3.330 20 10 GGCDRO CCOc1cccc(C[NH2+]Cc2ccccc2S(=O)(=O)NC(C)(C)C)c1O ZINC000236952609 1433383826 /nfs/dbraw/zinc/38/38/26/1433383826.db2.gz RVECFUCHJPQRMV-UHFFFAOYSA-N 1 0 392.521 3.158 20 10 GGCDRO CC[C@@H](C(=O)N1CCC([NH2+]Cc2cc3c(cc2O)OCO3)CC1)c1ccccc1 ZINC000236963466 1433384421 /nfs/dbraw/zinc/38/44/21/1433384421.db2.gz GHFUWGWCQMOMEY-LJQANCHMSA-N 1 0 396.487 3.395 20 10 GGCDRO CN(C)c1ccc(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1F ZINC000237127156 1433390249 /nfs/dbraw/zinc/39/02/49/1433390249.db2.gz RPJCVWXXPZVOST-UHFFFAOYSA-N 1 0 383.427 3.490 20 10 GGCDRO COc1ccc(N2CCN(CCC[NH2+]Cc3ccc(OC)c(F)c3)CC2)cc1 ZINC000237272111 1433395184 /nfs/dbraw/zinc/39/51/84/1433395184.db2.gz RLKQJZISCSYQSR-UHFFFAOYSA-N 1 0 387.499 3.145 20 10 GGCDRO COc1ccc(C[NH2+]C2CCN(C(=O)Cc3ccccc3OC)CC2)cc1C ZINC000237349565 1433398571 /nfs/dbraw/zinc/39/85/71/1433398571.db2.gz UAZXZOPZEHGGIB-UHFFFAOYSA-N 1 0 382.504 3.336 20 10 GGCDRO FC(F)(F)c1cc(N2CCOCC2)ccc1C[NH2+]Cc1cnc2ccccn12 ZINC000237829572 1433426920 /nfs/dbraw/zinc/42/69/20/1433426920.db2.gz GZEDYDSFMNZSNY-UHFFFAOYSA-N 1 0 390.409 3.480 20 10 GGCDRO COc1ccc(O)c(C[NH2+][C@@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)c1 ZINC000245835361 1433523394 /nfs/dbraw/zinc/52/33/94/1433523394.db2.gz CKFORHDKUBHARJ-UXHICEINSA-N 1 0 376.884 3.216 20 10 GGCDRO COc1ccc(N2CCN(CCC[NH2+][C@@H]3[C@H]4CCCO[C@H]4C3(C)C)CC2)cc1 ZINC000245885831 1433533669 /nfs/dbraw/zinc/53/36/69/1433533669.db2.gz LLPXJLHNKZJYPL-YPAWHYETSA-N 1 0 387.568 3.001 20 10 GGCDRO COc1ccc(N2CCN(CCC[NH2+][C@@H]3[C@@H]4CCCO[C@H]4C3(C)C)CC2)cc1 ZINC000245885826 1433533900 /nfs/dbraw/zinc/53/39/00/1433533900.db2.gz LLPXJLHNKZJYPL-BHDDXSALSA-N 1 0 387.568 3.001 20 10 GGCDRO C[C@@H]([N@H+](C)CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)C1(C)CC1 ZINC000246177129 1433578194 /nfs/dbraw/zinc/57/81/94/1433578194.db2.gz SRTWMNBJMVJESN-BRWVUGGUSA-N 1 0 391.531 3.176 20 10 GGCDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cc(C)n(-c3ccccn3)c2C)[C@@H](C)C1 ZINC000246748877 1433659551 /nfs/dbraw/zinc/65/95/51/1433659551.db2.gz JECJQXFAEIGVCU-UWJYYQICSA-N 1 0 398.551 3.356 20 10 GGCDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)N(C)Cc2ccc(N(C)C)cc2)[C@@H](C)C1 ZINC000247325874 1433706477 /nfs/dbraw/zinc/70/64/77/1433706477.db2.gz XSIVLIITLOPURX-GHTZIAJQSA-N 1 0 390.572 3.031 20 10 GGCDRO C[N@H+](CC(=O)N1CCC[C@H]2CCCC[C@H]21)Cc1ccc(N2CCOCC2)cc1 ZINC000247552571 1433736855 /nfs/dbraw/zinc/73/68/55/1433736855.db2.gz KMGIPAPKSRIUSU-IFMALSPDSA-N 1 0 385.552 3.136 20 10 GGCDRO CC[C@H](C)[C@H](C)[NH2+]CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000248549378 1433807947 /nfs/dbraw/zinc/80/79/47/1433807947.db2.gz FWWGKHZTTJSXDJ-HZMVEIRTSA-N 1 0 379.520 3.080 20 10 GGCDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000248763142 1433820954 /nfs/dbraw/zinc/82/09/54/1433820954.db2.gz GSQYIKPTCIJWAT-AUSIDOKSSA-N 1 0 390.531 3.383 20 10 GGCDRO CCC[N@@H+](Cc1ccccc1O)C[C@H](O)COc1c(OC)cccc1OC ZINC000263909024 1434047971 /nfs/dbraw/zinc/04/79/71/1434047971.db2.gz JJXMVWPFNRTTSA-KRWDZBQOSA-N 1 0 375.465 3.061 20 10 GGCDRO CCN(CC)c1ccc(C[NH2+]C2CCN(C(=O)c3ccncc3)CC2)cc1F ZINC000265807563 1434266747 /nfs/dbraw/zinc/26/67/47/1434266747.db2.gz VEDTWBLTRXZHBS-UHFFFAOYSA-N 1 0 384.499 3.461 20 10 GGCDRO COc1cccc(CNC(=O)NC[C@H](c2ccccc2OC)[NH+]2CCCC2)c1O ZINC000266658040 1434360078 /nfs/dbraw/zinc/36/00/78/1434360078.db2.gz HIOFZOIHFBKEAZ-GOSISDBHSA-N 1 0 399.491 3.046 20 10 GGCDRO COCCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000266751499 1434371153 /nfs/dbraw/zinc/37/11/53/1434371153.db2.gz XZZXWXZGRLYGPY-OCOZRVBESA-N 1 0 397.479 3.125 20 10 GGCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000267197957 1434413766 /nfs/dbraw/zinc/41/37/66/1434413766.db2.gz DKWWNFWFIAJBAP-FQEVSTJZSA-N 1 0 385.552 3.136 20 10 GGCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000267197958 1434413835 /nfs/dbraw/zinc/41/38/35/1434413835.db2.gz DKWWNFWFIAJBAP-HXUWFJFHSA-N 1 0 385.552 3.136 20 10 GGCDRO CC[C@H]([NH2+]Cc1cccc(C(=O)N2CCOCC2)c1)c1ccc(N(C)C)cc1 ZINC000268796415 1434558196 /nfs/dbraw/zinc/55/81/96/1434558196.db2.gz IKJJTGKPDHJLMG-QFIPXVFZSA-N 1 0 381.520 3.466 20 10 GGCDRO CC[C@@H]([NH2+]Cc1ccc(C(=O)N2CCN(C)CC2)cc1)c1ccc(N(C)C)cc1 ZINC000268838706 1434562822 /nfs/dbraw/zinc/56/28/22/1434562822.db2.gz TWBYFDWZXDPXLP-HSZRJFAPSA-N 1 0 394.563 3.381 20 10 GGCDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2cccc(C(=O)N3CCOCC3)c2)cc1 ZINC000268839270 1434563099 /nfs/dbraw/zinc/56/30/99/1434563099.db2.gz ZDHVZDRKCBVNSW-SFHVURJKSA-N 1 0 381.520 3.466 20 10 GGCDRO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000269266440 1434615613 /nfs/dbraw/zinc/61/56/13/1434615613.db2.gz PNRKSQSGLKHZDG-HMQMGEFJSA-N 1 0 393.478 3.294 20 10 GGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3ccc(N)cc3Cl)cc2F)CC1 ZINC000269298811 1434619829 /nfs/dbraw/zinc/61/98/29/1434619829.db2.gz PNKLQFUCEBEKHB-UHFFFAOYSA-N 1 0 390.890 3.133 20 10 GGCDRO CCCN(CCC)c1ccc(C[NH+]2CCC(C(=O)NCCCO)CC2)cc1 ZINC000271049976 1434798763 /nfs/dbraw/zinc/79/87/63/1434798763.db2.gz OLOPGNSWNXDJJJ-UHFFFAOYSA-N 1 0 375.557 3.024 20 10 GGCDRO CCOc1cccc(C[N@H+](C)CCCOc2ccc(S(C)(=O)=O)cc2)c1O ZINC000271129355 1434803741 /nfs/dbraw/zinc/80/37/41/1434803741.db2.gz JBTWFRFYSFXGFU-UHFFFAOYSA-N 1 0 393.505 3.095 20 10 GGCDRO COc1cccc(C[NH+]2CCC(OCCCNC(=O)OC(C)(C)C)CC2)c1O ZINC000271304367 1434814674 /nfs/dbraw/zinc/81/46/74/1434814674.db2.gz VEZTWYQMXKHKRG-UHFFFAOYSA-N 1 0 394.512 3.297 20 10 GGCDRO Cc1cc(C[NH2+][C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)ccc1N(C)C ZINC000271462031 1434826680 /nfs/dbraw/zinc/82/66/80/1434826680.db2.gz HPERNSLCNJSYNG-INIZCTEOSA-N 1 0 375.538 3.162 20 10 GGCDRO Cc1cc(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)ccc1N(C)C ZINC000271474840 1434827947 /nfs/dbraw/zinc/82/79/47/1434827947.db2.gz JOPREUHENMQBCB-INIZCTEOSA-N 1 0 375.538 3.162 20 10 GGCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)c2cccc(S(N)(=O)=O)c2)cc1F ZINC000271605174 1434838683 /nfs/dbraw/zinc/83/86/83/1434838683.db2.gz ACDZDVFNDZETKU-AWEZNQCLSA-N 1 0 379.501 3.170 20 10 GGCDRO COc1cc(O)c(C[N@H+](C)C2CCN(C(=O)OC(C)(C)C)CC2)cc1OC ZINC000271755538 1434848275 /nfs/dbraw/zinc/84/82/75/1434848275.db2.gz XFABOAFBOFIWSR-UHFFFAOYSA-N 1 0 380.485 3.241 20 10 GGCDRO COc1cccc(CNC(=O)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1O ZINC000272522044 1434903686 /nfs/dbraw/zinc/90/36/86/1434903686.db2.gz NTTLVJOCZUJFKS-APWZRJJASA-N 1 0 383.492 3.111 20 10 GGCDRO C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273363293 1434983188 /nfs/dbraw/zinc/98/31/88/1434983188.db2.gz AURXBEOSBOKHSJ-HNNXBMFYSA-N 1 0 385.464 3.108 20 10 GGCDRO COc1cc(C[NH2+][C@@H](C)c2ccc(C)c(C)c2O)ccc1OCC(=O)N(C)C ZINC000273368864 1434983720 /nfs/dbraw/zinc/98/37/20/1434983720.db2.gz FQVXIXBZRQBRSO-INIZCTEOSA-N 1 0 386.492 3.335 20 10 GGCDRO C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273376492 1434984346 /nfs/dbraw/zinc/98/43/46/1434984346.db2.gz BLFFKZYRTDSPOL-BEFAXECRSA-N 1 0 385.464 3.108 20 10 GGCDRO C[C@@H]([NH2+]C[C@@](O)(c1nccn1C)C(F)(F)F)c1cc2c(cc1O)CCCC2 ZINC000273453305 1434989725 /nfs/dbraw/zinc/98/97/25/1434989725.db2.gz PFLVJXGBRFJIRU-KZULUSFZSA-N 1 0 383.414 3.105 20 10 GGCDRO Cc1ccc([C@@H](C)[NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)c(O)c1C ZINC000273608646 1434999736 /nfs/dbraw/zinc/99/97/36/1434999736.db2.gz VBAYIXUPMBEAJM-CYBMUJFWSA-N 1 0 394.459 3.221 20 10 GGCDRO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1COCC[C@@H]1[NH2+]Cc1ccccc1O ZINC000273889038 1435025483 /nfs/dbraw/zinc/02/54/83/1435025483.db2.gz SWGZLYOJIBCEBZ-OKZBNKHCSA-N 1 0 376.497 3.286 20 10 GGCDRO Cc1ccc([C@H](CCn2cncn2)[NH2+]Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000275926858 1435180124 /nfs/dbraw/zinc/18/01/24/1435180124.db2.gz WXNZXMPQSDVQLA-QHCPKHFHSA-N 1 0 391.519 3.344 20 10 GGCDRO Cc1cc(N2CCC([NH2+][C@H](C)c3ccc(N4CCOCC4)c(F)c3)CC2)n[nH]1 ZINC000275937295 1435180868 /nfs/dbraw/zinc/18/08/68/1435180868.db2.gz SAXDCQLIEYBHOQ-MRXNPFEDSA-N 1 0 387.503 3.013 20 10 GGCDRO Cc1cc(N2CCC([NH2+][C@@H](C)c3ccc(N4CCOCC4)c(F)c3)CC2)n[nH]1 ZINC000275937290 1435180898 /nfs/dbraw/zinc/18/08/98/1435180898.db2.gz SAXDCQLIEYBHOQ-INIZCTEOSA-N 1 0 387.503 3.013 20 10 GGCDRO CCCOc1ccc(C[NH2+][C@H]2CCCC[C@H]2n2cc(C(C)(C)O)nn2)c(O)c1 ZINC000276419757 1435210561 /nfs/dbraw/zinc/21/05/61/1435210561.db2.gz CGDVWIBTBIKABR-ZWKOTPCHSA-N 1 0 388.512 3.273 20 10 GGCDRO CC1(C)CC(N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)CC(C)(C)[NH2+]1 ZINC000277261502 1435286211 /nfs/dbraw/zinc/28/62/11/1435286211.db2.gz HWOKXNFNRXJFSB-UHFFFAOYSA-N 1 0 379.888 3.119 20 10 GGCDRO O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1C1CC[NH+](C2CCCC2)CC1 ZINC000277546620 1435311820 /nfs/dbraw/zinc/31/18/20/1435311820.db2.gz WHOKHSUKRNXKDH-UHFFFAOYSA-N 1 0 391.899 3.217 20 10 GGCDRO COc1cc(O)c(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)cc1OC ZINC000278226609 1435371450 /nfs/dbraw/zinc/37/14/50/1435371450.db2.gz JWRJSKPHZYINES-ZFWWWQNUSA-N 1 0 380.485 3.287 20 10 GGCDRO CC[NH+]1CCN(c2cccc(NCc3ccc([N+](=O)[O-])c(OC)c3O)c2)CC1 ZINC000278484486 1435394381 /nfs/dbraw/zinc/39/43/81/1435394381.db2.gz JYQKHDCVSWEOIM-UHFFFAOYSA-N 1 0 386.452 3.063 20 10 GGCDRO COc1cc(C[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)ccc1OCCO ZINC000279782510 1435542499 /nfs/dbraw/zinc/54/24/99/1435542499.db2.gz CEUYFHGWMLICBS-UHFFFAOYSA-N 1 0 398.425 3.441 20 10 GGCDRO CN(C)c1ccc(C[NH2+]Cc2cccnc2N2CCOCC2)c(C(F)(F)F)c1 ZINC000279914045 1435562092 /nfs/dbraw/zinc/56/20/92/1435562092.db2.gz MCVQGNSRBLPFJD-UHFFFAOYSA-N 1 0 394.441 3.293 20 10 GGCDRO CC[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(C)cc1O ZINC000280284135 1435625532 /nfs/dbraw/zinc/62/55/32/1435625532.db2.gz YRNSPFNJYRYQJS-KRWDZBQOSA-N 1 0 378.450 3.123 20 10 GGCDRO CCOc1cccc(C[NH2+][C@H](c2ccc(C)cc2)[C@H](C)S(C)(=O)=O)c1O ZINC000280796021 1435722167 /nfs/dbraw/zinc/72/21/67/1435722167.db2.gz RPOHTXQBEUNWLR-KXBFYZLASA-N 1 0 377.506 3.363 20 10 GGCDRO COc1ccc(N2CC[NH+](CCCNC(=O)[C@@H]3CCCC(F)(F)C3)CC2)cc1 ZINC000282391045 1435845585 /nfs/dbraw/zinc/84/55/85/1435845585.db2.gz CIPWJDCUFAIYKS-QGZVFWFLSA-N 1 0 395.494 3.149 20 10 GGCDRO CCCCN(Cc1ccccc1O)C(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000282726317 1435857929 /nfs/dbraw/zinc/85/79/29/1435857929.db2.gz WWMDXGQJSAKPFB-UHFFFAOYSA-N 1 0 398.507 3.387 20 10 GGCDRO CCCCN(Cc1ccccc1O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000283567071 1435895803 /nfs/dbraw/zinc/89/58/03/1435895803.db2.gz GSLVRQPVMBLWOR-UHFFFAOYSA-N 1 0 389.540 3.349 20 10 GGCDRO C[C@@H]([NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C(C)(C)n1cncn1 ZINC000284231841 1436005799 /nfs/dbraw/zinc/00/57/99/1436005799.db2.gz URHBMQSPPJKMIV-CABCVRRESA-N 1 0 379.455 3.262 20 10 GGCDRO