smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCC[N@@H+](C)CC1CC[NH+](Cc2cc(OC)c(OC)cc2O)CC1 ZINC000160230746 705248071 /nfs/dbraw/zinc/24/80/71/705248071.db2.gz MINOHXYWOJHOSF-UHFFFAOYSA-N 2 1 350.503 3.353 20 10 FGCDMP CC[C@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1ccccc1O ZINC000775482804 723994678 /nfs/dbraw/zinc/99/46/78/723994678.db2.gz BKJMLIKAWMWMDI-ROUUACIJSA-N 2 1 359.539 3.483 20 10 FGCDMP C[C@@H]1CCCN(c2ccc(CNC[C@H](O)C[N@@H+](C)C3CC3)cc2Cl)C1 ZINC000819289606 727364749 /nfs/dbraw/zinc/36/47/49/727364749.db2.gz FTLFKGZOGVJGCV-QAPCUYQASA-N 2 1 365.949 3.121 20 10 FGCDMP C[C@@H]1CCCN(c2ccc(C[NH2+]C[C@H](O)CN(C)C3CC3)cc2Cl)C1 ZINC000819289606 727364750 /nfs/dbraw/zinc/36/47/50/727364750.db2.gz FTLFKGZOGVJGCV-QAPCUYQASA-N 2 1 365.949 3.121 20 10 FGCDMP Cc1cc(O)c(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1Cl ZINC000825478811 729384683 /nfs/dbraw/zinc/38/46/83/729384683.db2.gz GXDDCAZZZIRBSH-GOSISDBHSA-N 2 1 360.885 3.210 20 10 FGCDMP Cc1cc(Br)cc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1O ZINC000843045462 730573538 /nfs/dbraw/zinc/57/35/38/730573538.db2.gz RXZREAYQDXRRHC-XJKSGUPXSA-N 2 1 353.304 3.427 20 10 FGCDMP Cc1cc(Br)cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1O ZINC000843045462 730573540 /nfs/dbraw/zinc/57/35/40/730573540.db2.gz RXZREAYQDXRRHC-XJKSGUPXSA-N 2 1 353.304 3.427 20 10 FGCDMP COc1cc(Br)cc(C[N@@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])c1O ZINC000844902266 730787074 /nfs/dbraw/zinc/78/70/74/730787074.db2.gz OHTKCDRZCLDSTJ-RISCZKNCSA-N 2 1 357.292 3.113 20 10 FGCDMP COc1cc(Br)cc(C[N@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])c1O ZINC000844902266 730787081 /nfs/dbraw/zinc/78/70/81/730787081.db2.gz OHTKCDRZCLDSTJ-RISCZKNCSA-N 2 1 357.292 3.113 20 10 FGCDMP COc1cc(Br)cc([C@H](C)[NH2+]CCCn2cc[nH+]c2C)c1O ZINC000848522238 731174557 /nfs/dbraw/zinc/17/45/57/731174557.db2.gz WJIMMZVZHSUILU-NSHDSACASA-N 2 1 368.275 3.409 20 10 FGCDMP CN(C)c1ccc(C[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)c(C(F)(F)F)c1 ZINC000903956089 743905471 /nfs/dbraw/zinc/90/54/71/743905471.db2.gz GROIUCUPDISNBZ-LBPRGKRZSA-N 2 1 351.363 3.106 20 10 FGCDMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000164705722 496628558 /nfs/dbraw/zinc/62/85/58/496628558.db2.gz JOCJRZGANCBQEG-INIZCTEOSA-N 2 1 360.477 3.298 20 10 FGCDMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC[N@@H+]1C ZINC000247093332 496777338 /nfs/dbraw/zinc/77/73/38/496777338.db2.gz OFCKUHNVTKOQAV-OAGGEKHMSA-N 2 1 353.457 3.329 20 10 FGCDMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC[N@H+]1C ZINC000247093332 496777341 /nfs/dbraw/zinc/77/73/41/496777341.db2.gz OFCKUHNVTKOQAV-OAGGEKHMSA-N 2 1 353.457 3.329 20 10 FGCDMP COc1c(O)c(C[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)ccc1[N+](=O)[O-] ZINC000278831451 497235962 /nfs/dbraw/zinc/23/59/62/497235962.db2.gz ITEHJKKDEMQJJB-UHFFFAOYSA-N 2 1 373.453 3.439 20 10 FGCDMP COc1c(O)c(C[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)ccc1[N+](=O)[O-] ZINC000278831451 497235968 /nfs/dbraw/zinc/23/59/68/497235968.db2.gz ITEHJKKDEMQJJB-UHFFFAOYSA-N 2 1 373.453 3.439 20 10 FGCDMP CCCOc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3CCOC)c(O)c1 ZINC000293868123 498517204 /nfs/dbraw/zinc/51/72/04/498517204.db2.gz CJRLRTRWRGKKQV-DFNIBXOVSA-N 2 1 362.514 3.255 20 10 FGCDMP CCCOc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3CCOC)c(O)c1 ZINC000293868123 498517207 /nfs/dbraw/zinc/51/72/07/498517207.db2.gz CJRLRTRWRGKKQV-DFNIBXOVSA-N 2 1 362.514 3.255 20 10 FGCDMP CCCOc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)c(O)c1 ZINC000293868123 498517211 /nfs/dbraw/zinc/51/72/11/498517211.db2.gz CJRLRTRWRGKKQV-DFNIBXOVSA-N 2 1 362.514 3.255 20 10 FGCDMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CCc4cccc(O)c43)CC2)oc1C ZINC000297955404 498621718 /nfs/dbraw/zinc/62/17/18/498621718.db2.gz YYMWEBHWNPEPQV-GOSISDBHSA-N 2 1 355.482 3.486 20 10 FGCDMP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1cc(F)cc(F)c1O ZINC000756495013 722965617 /nfs/dbraw/zinc/96/56/17/722965617.db2.gz IWVAHHOTEUMVIH-CYBMUJFWSA-N 2 1 350.409 3.462 20 10 FGCDMP Cc1cc(Br)cc(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c1O ZINC000818431477 727311128 /nfs/dbraw/zinc/31/11/28/727311128.db2.gz NQQOBWRDKKCBCB-CYBMUJFWSA-N 2 1 353.304 3.427 20 10 FGCDMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cccc(OC)c2O)[C@H](C)C1 ZINC000846145886 730932081 /nfs/dbraw/zinc/93/20/81/730932081.db2.gz PLRBRXBNBISLHM-RYRKJORJSA-N 2 1 350.503 3.188 20 10 FGCDMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296310215 497993972 /nfs/dbraw/zinc/99/39/72/497993972.db2.gz FCXLJHPRHLAPLB-UXHICEINSA-N 2 1 352.478 3.126 20 10 FGCDMP COc1ccc(N2CC[NH+](CCCNc3cc[nH+]cc3Cl)CC2)cc1 ZINC000301511500 498140958 /nfs/dbraw/zinc/14/09/58/498140958.db2.gz FJPMHRDKAYZOAX-UHFFFAOYSA-N 2 1 360.889 3.368 20 10 FGCDMP CC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(F)cc1[O-] ZINC000286230303 498331773 /nfs/dbraw/zinc/33/17/73/498331773.db2.gz STXSGDXCRZXKIR-AZUAARDMSA-N 2 1 358.457 3.339 20 10 FGCDMP CC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(F)cc1O ZINC000286230303 498331790 /nfs/dbraw/zinc/33/17/90/498331790.db2.gz STXSGDXCRZXKIR-AZUAARDMSA-N 2 1 358.457 3.339 20 10 FGCDMP COc1cc(Br)cc(C[NH2+]C2CC([NH+]3CCCCC3)C2)c1O ZINC000366272985 498853256 /nfs/dbraw/zinc/85/32/56/498853256.db2.gz RLOFOSBSJIMVTO-UHFFFAOYSA-N 2 1 369.303 3.270 20 10 FGCDMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C)c1ccc(F)c(F)c1[O-] ZINC000372617032 499154571 /nfs/dbraw/zinc/15/45/71/499154571.db2.gz HIEMQPFARZROAY-AYMQEEERSA-N 2 1 354.441 3.210 20 10 FGCDMP Cc1ccc([C@@H](C)[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)c(O)c1 ZINC000756345378 722963115 /nfs/dbraw/zinc/96/31/15/722963115.db2.gz XFSZAHWVMUQCIF-SJLPKXTDSA-N 2 1 359.539 3.401 20 10 FGCDMP Cc1cc(Br)cc(C[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)c1O ZINC000763663087 723358949 /nfs/dbraw/zinc/35/89/49/723358949.db2.gz UTZROMOTODIUOE-CQSZACIVSA-N 2 1 371.319 3.054 20 10 FGCDMP Cc1cc(Br)cc(C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)c1O ZINC000763663087 723358951 /nfs/dbraw/zinc/35/89/51/723358951.db2.gz UTZROMOTODIUOE-CQSZACIVSA-N 2 1 371.319 3.054 20 10 FGCDMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(N2CCOCC2)cc1Cl ZINC000765038637 723472213 /nfs/dbraw/zinc/47/22/13/723472213.db2.gz NIARKOIYDLKYKV-GVDBMIGSSA-N 2 1 363.933 3.454 20 10 FGCDMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(N2CCOCC2)cc1Cl ZINC000765038637 723472216 /nfs/dbraw/zinc/47/22/16/723472216.db2.gz NIARKOIYDLKYKV-GVDBMIGSSA-N 2 1 363.933 3.454 20 10 FGCDMP C[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccc(N2CCOCC2)cc1Cl ZINC000817966751 727289809 /nfs/dbraw/zinc/28/98/09/727289809.db2.gz VCOHOLYLPDQPMB-BEFAXECRSA-N 2 1 351.922 3.217 20 10 FGCDMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2cc(Br)ccc2O)C1 ZINC000844912721 730788738 /nfs/dbraw/zinc/78/87/38/730788738.db2.gz WKAPIZUXVRRPPF-INMHGKMJSA-N 2 1 369.303 3.016 20 10 FGCDMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3c(O)cccc3Br)C2)CC1 ZINC000862367532 732817333 /nfs/dbraw/zinc/81/73/33/732817333.db2.gz MAYBDKVVUJTCNB-AWEZNQCLSA-N 2 1 353.304 3.318 20 10 FGCDMP C[C@H]1CCCN(c2ccc(C[NH2+]C[C@@H](O)C[NH+]3CCCC3)cc2Cl)C1 ZINC000863554851 732976582 /nfs/dbraw/zinc/97/65/82/732976582.db2.gz JMGXQAMNEXCEKU-FUHWJXTLSA-N 2 1 365.949 3.123 20 10 FGCDMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cc(Cl)ccc3O)C2)[C@H]1C(C)C ZINC000922393219 758912611 /nfs/dbraw/zinc/91/26/11/758912611.db2.gz QREIZHVBNNQCLQ-NXWXRZEISA-N 2 1 352.906 3.005 20 10 FGCDMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)CC[N@H+]1C ZINC000163393439 496509551 /nfs/dbraw/zinc/50/95/51/496509551.db2.gz JEYQGULNQZNRRK-HOCLYGCPSA-N 2 1 371.447 3.114 20 10 FGCDMP Cc1cccc(C[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c1O ZINC000378443613 499517421 /nfs/dbraw/zinc/51/74/21/499517421.db2.gz NHVPHHOTZQKPBC-UHFFFAOYSA-N 3 1 359.558 3.329 20 10 FGCDMP Cc1cccc(C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1O ZINC000378443613 499517422 /nfs/dbraw/zinc/51/74/22/499517422.db2.gz NHVPHHOTZQKPBC-UHFFFAOYSA-N 3 1 359.558 3.329 20 10 FGCDMP Cc1cc(Br)cc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1O ZINC000843045461 730573485 /nfs/dbraw/zinc/57/34/85/730573485.db2.gz RXZREAYQDXRRHC-CZUORRHYSA-N 2 1 353.304 3.427 20 10 FGCDMP Cc1cc(Br)cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1O ZINC000843045461 730573487 /nfs/dbraw/zinc/57/34/87/730573487.db2.gz RXZREAYQDXRRHC-CZUORRHYSA-N 2 1 353.304 3.427 20 10 FGCDMP CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1O ZINC000843386162 730612684 /nfs/dbraw/zinc/61/26/84/730612684.db2.gz IOBBJJSMGKCATR-GJZGRUSLSA-N 2 1 350.890 3.460 20 10 FGCDMP CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1O ZINC000843386162 730612686 /nfs/dbraw/zinc/61/26/86/730612686.db2.gz IOBBJJSMGKCATR-GJZGRUSLSA-N 2 1 350.890 3.460 20 10 FGCDMP Oc1ccc(Br)cc1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000853093273 731664418 /nfs/dbraw/zinc/66/44/18/731664418.db2.gz HGRWBPVXBWRQLX-CQSZACIVSA-N 2 1 353.304 3.366 20 10 FGCDMP FC(F)Oc1ccc(N2CCC[C@H]([NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1 ZINC000246092178 497618775 /nfs/dbraw/zinc/61/87/75/497618775.db2.gz CMTJKRFQOAOKOH-RYRKJORJSA-N 2 1 365.468 3.473 20 10 FGCDMP Cc1cc(O)c(C[NH2+]CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1C ZINC000363659958 498929134 /nfs/dbraw/zinc/92/91/34/498929134.db2.gz CPJMDNXVMWBYRO-UHFFFAOYSA-N 3 1 359.558 3.295 20 10 FGCDMP Cc1cc(Br)c(O)c(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000843046390 730573974 /nfs/dbraw/zinc/57/39/74/730573974.db2.gz TZMMXGXEWKLVMK-INIZCTEOSA-N 2 1 353.304 3.427 20 10 FGCDMP Cc1cc(Br)cc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1O ZINC000843124902 730588312 /nfs/dbraw/zinc/58/83/12/730588312.db2.gz KNEXAODYJKMHIN-UONOGXRCSA-N 2 1 353.304 3.285 20 10 FGCDMP COc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1O ZINC000848518242 731174169 /nfs/dbraw/zinc/17/41/69/731174169.db2.gz JJFSZBHPWNGKMK-NWDGAFQWSA-N 2 1 369.303 3.298 20 10 FGCDMP [O-]c1c(Cl)cc(Cl)cc1CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903980469 743907997 /nfs/dbraw/zinc/90/79/97/743907997.db2.gz SJNRQUKNQXYKHM-IYBDPMFKSA-N 2 1 370.324 3.100 20 10 FGCDMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(N3CCC(OC)CC3)cc2)C1 ZINC000295064583 498896811 /nfs/dbraw/zinc/89/68/11/498896811.db2.gz PRCYWTYQLFPGSD-HXUWFJFHSA-N 2 1 359.558 3.466 20 10 FGCDMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(N3CCC(OC)CC3)cc2)C1 ZINC000295064583 498896815 /nfs/dbraw/zinc/89/68/15/498896815.db2.gz PRCYWTYQLFPGSD-HXUWFJFHSA-N 2 1 359.558 3.466 20 10 FGCDMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(N3CCC(OC)CC3)cc2)C1 ZINC000295064583 498896819 /nfs/dbraw/zinc/89/68/19/498896819.db2.gz PRCYWTYQLFPGSD-HXUWFJFHSA-N 2 1 359.558 3.466 20 10 FGCDMP COc1ccc(O)c([C@H](C)[N@H+](C)C2CCN(c3cc(C)[nH+]c(C)n3)CC2)c1 ZINC000367357787 499187674 /nfs/dbraw/zinc/18/76/74/499187674.db2.gz YGBFXSLIFDFXMS-HNNXBMFYSA-N 2 1 370.497 3.469 20 10 FGCDMP COc1ccc(O)c([C@H](C)[N@@H+](C)C2CCN(c3cc(C)[nH+]c(C)n3)CC2)c1 ZINC000367357787 499187675 /nfs/dbraw/zinc/18/76/75/499187675.db2.gz YGBFXSLIFDFXMS-HNNXBMFYSA-N 2 1 370.497 3.469 20 10 FGCDMP C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccc(N2CCOCC2)cc1Cl ZINC000132118044 700824044 /nfs/dbraw/zinc/82/40/44/700824044.db2.gz BJRPXKIZDBHWKL-HNNXBMFYSA-N 2 1 353.938 3.415 20 10 FGCDMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000765141693 723484515 /nfs/dbraw/zinc/48/45/15/723484515.db2.gz NTVPVJHKKNLRQJ-OAHLLOKOSA-N 2 1 362.905 3.422 20 10 FGCDMP C[N@@H+](CC1CC1)C[C@H]1CCN(Cc2cc(Br)ccc2O)C1 ZINC000769513830 723688338 /nfs/dbraw/zinc/68/83/38/723688338.db2.gz FPVHQSUJEQRZKO-CQSZACIVSA-N 2 1 353.304 3.318 20 10 FGCDMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3cc(Cl)ccc3O)CC2)CC1 ZINC000817413746 727249074 /nfs/dbraw/zinc/24/90/74/727249074.db2.gz DZJHQUTYAZNECW-UHFFFAOYSA-N 2 1 351.922 3.038 20 10 FGCDMP C[C@H]1CCCN(c2ccc(CNC[C@@H](O)C[N@@H+](C)C3CC3)cc2Cl)C1 ZINC000819289605 727364792 /nfs/dbraw/zinc/36/47/92/727364792.db2.gz FTLFKGZOGVJGCV-MAUKXSAKSA-N 2 1 365.949 3.121 20 10 FGCDMP C[C@H]1CCCN(c2ccc(C[NH2+]C[C@@H](O)CN(C)C3CC3)cc2Cl)C1 ZINC000819289605 727364794 /nfs/dbraw/zinc/36/47/94/727364794.db2.gz FTLFKGZOGVJGCV-MAUKXSAKSA-N 2 1 365.949 3.121 20 10 FGCDMP Cc1cnc(C[NH2+]Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)s1 ZINC000824037578 729317059 /nfs/dbraw/zinc/31/70/59/729317059.db2.gz UBUNXOOMDAQSRR-UHFFFAOYSA-N 2 1 356.539 3.273 20 10 FGCDMP Oc1cccc(Br)c1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000858196916 732191669 /nfs/dbraw/zinc/19/16/69/732191669.db2.gz YTTBTZYSBYTFSG-CQSZACIVSA-N 2 1 353.304 3.366 20 10 FGCDMP Oc1cccc(Br)c1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000858196916 732191672 /nfs/dbraw/zinc/19/16/72/732191672.db2.gz YTTBTZYSBYTFSG-CQSZACIVSA-N 2 1 353.304 3.366 20 10 FGCDMP C[NH+]1CCC([NH2+]C[C@@H]2CCN(c3ccc(OC(F)(F)F)cc3)C2)CC1 ZINC000362866934 498569544 /nfs/dbraw/zinc/56/95/44/498569544.db2.gz WCOXMKTYDIZQJI-AWEZNQCLSA-N 2 1 357.420 3.095 20 10 FGCDMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cc(OC)ccc2O)[C@@H](C)C1 ZINC000248493077 713651645 /nfs/dbraw/zinc/65/16/45/713651645.db2.gz JUDBJQKFGAVJOQ-FCEWJHQRSA-N 2 1 350.503 3.188 20 10 FGCDMP CC[C@@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1ccccc1O ZINC000775482802 723994563 /nfs/dbraw/zinc/99/45/63/723994563.db2.gz BKJMLIKAWMWMDI-MSOLQXFVSA-N 2 1 359.539 3.483 20 10 FGCDMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cc(Br)cc(C)c1O ZINC000809752361 725264799 /nfs/dbraw/zinc/26/47/99/725264799.db2.gz BKVCHPHWDVDMGM-UHFFFAOYSA-N 2 1 352.276 3.490 20 10 FGCDMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cc(Br)cc(C)c1O ZINC000809752361 725264802 /nfs/dbraw/zinc/26/48/02/725264802.db2.gz BKVCHPHWDVDMGM-UHFFFAOYSA-N 2 1 352.276 3.490 20 10 FGCDMP Cc1cc(Br)cc(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c1O ZINC000818431479 727311273 /nfs/dbraw/zinc/31/12/73/727311273.db2.gz NQQOBWRDKKCBCB-ZDUSSCGKSA-N 2 1 353.304 3.427 20 10 FGCDMP CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1O ZINC000843386164 730612476 /nfs/dbraw/zinc/61/24/76/730612476.db2.gz IOBBJJSMGKCATR-LSDHHAIUSA-N 2 1 350.890 3.460 20 10 FGCDMP CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1O ZINC000843386164 730612480 /nfs/dbraw/zinc/61/24/80/730612480.db2.gz IOBBJJSMGKCATR-LSDHHAIUSA-N 2 1 350.890 3.460 20 10 FGCDMP C[N@H+]1CC[C@@H]([NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CC1(C)C ZINC000858137228 732184607 /nfs/dbraw/zinc/18/46/07/732184607.db2.gz KBHUYCIHMSQWDD-QZTJIDSGSA-N 2 1 365.949 3.472 20 10 FGCDMP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000151357125 495814104 /nfs/dbraw/zinc/81/41/04/495814104.db2.gz AJLWOHGURSFXKG-KRWDZBQOSA-N 2 1 363.521 3.313 20 10 FGCDMP FC(F)Oc1ccc(N2CCC[C@H]([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000166729733 496691816 /nfs/dbraw/zinc/69/18/16/496691816.db2.gz CMTJKRFQOAOKOH-SOLBZPMBSA-N 2 1 365.468 3.473 20 10 FGCDMP C[NH+]1CCN([C@H]2CCCC[N@H+](Cc3c(O)ccc4ccccc43)C2)CC1 ZINC000377619029 499710910 /nfs/dbraw/zinc/71/09/10/499710910.db2.gz CVMSKJDTTSLXNV-IBGZPJMESA-N 2 1 353.510 3.147 20 10 FGCDMP C[NH+]1CCN([C@H]2CCCC[N@@H+](Cc3c(O)ccc4ccccc43)C2)CC1 ZINC000377619029 499710911 /nfs/dbraw/zinc/71/09/11/499710911.db2.gz CVMSKJDTTSLXNV-IBGZPJMESA-N 2 1 353.510 3.147 20 10 FGCDMP Cc1cc(O)c(C[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)cc1C ZINC000742366111 722556447 /nfs/dbraw/zinc/55/64/47/722556447.db2.gz KMZCPEATBWWKFN-GOSISDBHSA-N 2 1 359.539 3.149 20 10 FGCDMP COc1cc(Br)cc(C[N@H+](C)CCCn2cc[nH+]c2C)c1O ZINC000809753489 725265147 /nfs/dbraw/zinc/26/51/47/725265147.db2.gz UIYZECOHHKDTNA-UHFFFAOYSA-N 2 1 368.275 3.190 20 10 FGCDMP COc1cc(Br)cc(C[N@@H+](C)CCCn2cc[nH+]c2C)c1O ZINC000809753489 725265149 /nfs/dbraw/zinc/26/51/49/725265149.db2.gz UIYZECOHHKDTNA-UHFFFAOYSA-N 2 1 368.275 3.190 20 10 FGCDMP CSC1(C[NH2+]Cc2cc(C)cc(Br)c2O)CC[NH+](C)CC1 ZINC000810170925 725294665 /nfs/dbraw/zinc/29/46/65/725294665.db2.gz ULYHTLQVKMOMKC-UHFFFAOYSA-N 2 1 373.360 3.380 20 10 FGCDMP C[NH+]1CCN([C@@H](C[NH2+][C@@H]2CCc3cccc(O)c32)c2cccs2)CC1 ZINC000834487773 729807480 /nfs/dbraw/zinc/80/74/80/729807480.db2.gz LQPDVYAKTZBTQO-SJORKVTESA-N 2 1 357.523 3.019 20 10 FGCDMP COc1cc(Br)cc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1O ZINC000841085970 730209200 /nfs/dbraw/zinc/20/92/00/730209200.db2.gz DTZZMDQVAOJZKH-DOMZBBRYSA-N 2 1 369.303 3.127 20 10 FGCDMP COc1cc(Br)cc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1O ZINC000841085970 730209201 /nfs/dbraw/zinc/20/92/01/730209201.db2.gz DTZZMDQVAOJZKH-DOMZBBRYSA-N 2 1 369.303 3.127 20 10 FGCDMP Cc1cc(Br)cc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1O ZINC000843124897 730588472 /nfs/dbraw/zinc/58/84/72/730588472.db2.gz KNEXAODYJKMHIN-KBPBESRZSA-N 2 1 353.304 3.285 20 10 FGCDMP Cc1cc(Br)c(O)c(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000843125004 730588506 /nfs/dbraw/zinc/58/85/06/730588506.db2.gz KXVFDXRNXNSUDD-UONOGXRCSA-N 2 1 353.304 3.285 20 10 FGCDMP Cc1cc(Br)c(O)c(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000843125004 730588508 /nfs/dbraw/zinc/58/85/08/730588508.db2.gz KXVFDXRNXNSUDD-UONOGXRCSA-N 2 1 353.304 3.285 20 10 FGCDMP Oc1ccc(Br)cc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000843126618 730588705 /nfs/dbraw/zinc/58/87/05/730588705.db2.gz LWGITGGNTOJKJV-KGLIPLIRSA-N 2 1 353.304 3.366 20 10 FGCDMP Oc1c(Br)cccc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000843126639 730588750 /nfs/dbraw/zinc/58/87/50/730588750.db2.gz MLIRQBBIICTLNC-KBPBESRZSA-N 2 1 353.304 3.366 20 10 FGCDMP Oc1c(Br)cccc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000843126639 730588752 /nfs/dbraw/zinc/58/87/52/730588752.db2.gz MLIRQBBIICTLNC-KBPBESRZSA-N 2 1 353.304 3.366 20 10 FGCDMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cccc(OC)c2O)[C@@H](C)C1 ZINC000846145878 730932039 /nfs/dbraw/zinc/93/20/39/730932039.db2.gz PLRBRXBNBISLHM-JZXOWHBKSA-N 2 1 350.503 3.188 20 10 FGCDMP COc1cc(Br)cc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)c1O ZINC000848527369 731175559 /nfs/dbraw/zinc/17/55/59/731175559.db2.gz AKIBVLWGSJPMQA-VXGBXAGGSA-N 2 1 357.292 3.156 20 10 FGCDMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cc(Cl)ccc3O)C2)[C@@H]1C(C)C ZINC000922393220 758912823 /nfs/dbraw/zinc/91/28/23/758912823.db2.gz QREIZHVBNNQCLQ-OQIJWPOYSA-N 2 1 352.906 3.005 20 10 FGCDMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cc(Br)ccc1O ZINC000185414153 495568630 /nfs/dbraw/zinc/56/86/30/495568630.db2.gz OAGJBPUILUOJNE-DZGCQCFKSA-N 2 1 371.319 3.042 20 10 FGCDMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)CC[N@H+]1C ZINC000163393328 496508688 /nfs/dbraw/zinc/50/86/88/496508688.db2.gz JEYQGULNQZNRRK-ZBFHGGJFSA-N 2 1 371.447 3.114 20 10 FGCDMP C[C@H]1C[C@@H]([NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)CC[N@@H+]1C ZINC000157714513 496536626 /nfs/dbraw/zinc/53/66/26/496536626.db2.gz RMQAOLFNRMGNIL-HOCLYGCPSA-N 2 1 353.457 3.329 20 10 FGCDMP C[C@H]1C[C@@H]([NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)CC[N@H+]1C ZINC000157714513 496536633 /nfs/dbraw/zinc/53/66/33/496536633.db2.gz RMQAOLFNRMGNIL-HOCLYGCPSA-N 2 1 353.457 3.329 20 10 FGCDMP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccc(F)cc1O ZINC000285992339 498261342 /nfs/dbraw/zinc/26/13/42/498261342.db2.gz HBVOAYVHHUOFPE-IPMKNSEASA-N 2 1 350.478 3.340 20 10 FGCDMP C[NH+]1CCC([NH2+]C2CCN(c3ccc(OC(F)(F)F)cc3)CC2)CC1 ZINC000370116702 499183126 /nfs/dbraw/zinc/18/31/26/499183126.db2.gz JZYWYSGUZZWVBY-UHFFFAOYSA-N 2 1 357.420 3.238 20 10 FGCDMP Cc1cc(Cl)cc(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1O ZINC000776216104 724119902 /nfs/dbraw/zinc/11/99/02/724119902.db2.gz NDDATTCRVXFALH-FQEVSTJZSA-N 2 1 360.885 3.081 20 10 FGCDMP Cc1cc(Cl)cc(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1O ZINC000776216104 724119907 /nfs/dbraw/zinc/11/99/07/724119907.db2.gz NDDATTCRVXFALH-FQEVSTJZSA-N 2 1 360.885 3.081 20 10 FGCDMP COc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)c1O ZINC000848527367 731175626 /nfs/dbraw/zinc/17/56/26/731175626.db2.gz AKIBVLWGSJPMQA-NWDGAFQWSA-N 2 1 357.292 3.156 20 10 FGCDMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccc(Cl)cc1O ZINC000850510567 731366952 /nfs/dbraw/zinc/36/69/52/731366952.db2.gz YITUMFLOWNZUET-KDOFPFPSSA-N 2 1 360.885 3.463 20 10 FGCDMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3c(O)cccc3Br)C2)CC1 ZINC000862367533 732817437 /nfs/dbraw/zinc/81/74/37/732817437.db2.gz MAYBDKVVUJTCNB-CQSZACIVSA-N 2 1 353.304 3.318 20 10 FGCDMP C[C@@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cc(Cl)c(Cl)cc1O ZINC000925851867 759558366 /nfs/dbraw/zinc/55/83/66/759558366.db2.gz SUJCQINBGCNKBL-GHMZBOCLSA-N 2 1 373.280 3.035 20 10 FGCDMP Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)c(O)c1C ZINC000273415446 496799434 /nfs/dbraw/zinc/79/94/34/496799434.db2.gz IPHLWBMRSGRPHN-XLIONFOSSA-N 2 1 354.494 3.426 20 10 FGCDMP COc1cccc(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)c1O ZINC000289572983 498199607 /nfs/dbraw/zinc/19/96/07/498199607.db2.gz ZUAUOXCKKORESB-UHFFFAOYSA-N 2 1 358.457 3.337 20 10 FGCDMP C[NH+]1CCN(C[C@H]2CCC[N@@H+](Cc3ccc(N4CCCCC4)cc3)C2)CC1 ZINC000368050600 499259423 /nfs/dbraw/zinc/25/94/23/499259423.db2.gz GORZYCPTYYNYIS-JOCHJYFZSA-N 2 1 370.585 3.136 20 10 FGCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@]4(C)[C@H](C3)C4(Cl)Cl)cc2)CC1 ZINC000793614155 723455271 /nfs/dbraw/zinc/45/52/71/723455271.db2.gz OIGCZXKZDITAKA-ZWKOTPCHSA-N 2 1 368.352 3.454 20 10 FGCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCO[C@@H](c4cccs4)C3)cc2)CC1 ZINC000775663877 724019312 /nfs/dbraw/zinc/01/93/12/724019312.db2.gz GTBLRXJMWMTICK-LJQANCHMSA-N 2 1 357.523 3.073 20 10 FGCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCO[C@@H](c4cccs4)C3)cc2)CC1 ZINC000775663877 724019317 /nfs/dbraw/zinc/01/93/17/724019317.db2.gz GTBLRXJMWMTICK-LJQANCHMSA-N 2 1 357.523 3.073 20 10 FGCDMP C[NH+]1CCN([C@@H](C[NH2+][C@H]2CCc3cccc(O)c32)c2cccs2)CC1 ZINC000834487772 729807402 /nfs/dbraw/zinc/80/74/02/729807402.db2.gz LQPDVYAKTZBTQO-IRXDYDNUSA-N 2 1 357.523 3.019 20 10 FGCDMP Cc1cc(Br)c(O)c(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000843125003 730588529 /nfs/dbraw/zinc/58/85/29/730588529.db2.gz KXVFDXRNXNSUDD-KGLIPLIRSA-N 2 1 353.304 3.285 20 10 FGCDMP Cc1cc(Br)c(O)c(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000843125003 730588533 /nfs/dbraw/zinc/58/85/33/730588533.db2.gz KXVFDXRNXNSUDD-KGLIPLIRSA-N 2 1 353.304 3.285 20 10 FGCDMP CSCc1cnc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)s1 ZINC000883283649 737546971 /nfs/dbraw/zinc/54/69/71/737546971.db2.gz MVGFAFNPCNTLDX-UHFFFAOYSA-N 2 1 362.568 3.048 20 10 FGCDMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC[N@@H+]1C ZINC000247093349 496777688 /nfs/dbraw/zinc/77/76/88/496777688.db2.gz OFCKUHNVTKOQAV-PMPSAXMXSA-N 2 1 353.457 3.329 20 10 FGCDMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC[N@H+]1C ZINC000247093349 496777692 /nfs/dbraw/zinc/77/76/92/496777692.db2.gz OFCKUHNVTKOQAV-PMPSAXMXSA-N 2 1 353.457 3.329 20 10 FGCDMP COc1cc(O)c(C[NH+]2CCC3(C[C@@H]3C[N@@H+](C)C3CC3)CC2)cc1OC ZINC000360777244 498307536 /nfs/dbraw/zinc/30/75/36/498307536.db2.gz KOWSHGMJKGKEEB-MRXNPFEDSA-N 2 1 360.498 3.106 20 10 FGCDMP Cc1csc(C[NH2+]Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)n1 ZINC000092855872 700442028 /nfs/dbraw/zinc/44/20/28/700442028.db2.gz PPKKLVAPILCNMI-UHFFFAOYSA-N 2 1 356.539 3.273 20 10 FGCDMP Cc1cc(Cl)cc(C[NH+]2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)c1O ZINC000775666376 724019960 /nfs/dbraw/zinc/01/99/60/724019960.db2.gz XBFQNQXJARQKDK-IAGOWNOFSA-N 2 1 365.949 3.344 20 10 FGCDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2O)C1 ZINC000824894437 729363895 /nfs/dbraw/zinc/36/38/95/729363895.db2.gz FDFJNOVFHYNORC-MRXNPFEDSA-N 2 1 371.319 3.087 20 10 FGCDMP Cc1cc(Br)c(O)c(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000843125005 730588403 /nfs/dbraw/zinc/58/84/03/730588403.db2.gz KXVFDXRNXNSUDD-ZIAGYGMSSA-N 2 1 353.304 3.285 20 10 FGCDMP Cc1cc(Br)c(O)c(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000843125005 730588404 /nfs/dbraw/zinc/58/84/04/730588404.db2.gz KXVFDXRNXNSUDD-ZIAGYGMSSA-N 2 1 353.304 3.285 20 10 FGCDMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccc(F)cc1O ZINC000185372158 495553365 /nfs/dbraw/zinc/55/33/65/495553365.db2.gz GAJAMBZBXBBFAK-HNNXBMFYSA-N 2 1 358.457 3.339 20 10 FGCDMP COc1ccc(O)c([C@H](C)[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)c1 ZINC000185654867 495663982 /nfs/dbraw/zinc/66/39/82/495663982.db2.gz GSMOEYPODWAOSR-AWEZNQCLSA-N 2 1 356.470 3.127 20 10 FGCDMP COc1cc(O)c(C[NH+]2CCC(Nc3cccc(C)[nH+]3)CC2)cc1OC ZINC000360790540 498308169 /nfs/dbraw/zinc/30/81/69/498308169.db2.gz BDEBSBXQTIYEBN-UHFFFAOYSA-N 2 1 357.454 3.189 20 10 FGCDMP CN(C)c1ccc(C[NH2+]CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000363663742 498930519 /nfs/dbraw/zinc/93/05/19/498930519.db2.gz UQRSQQSWJNSUBU-UHFFFAOYSA-N 3 1 358.574 3.039 20 10 FGCDMP COc1cc(Br)cc(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)c1O ZINC000093659935 700452838 /nfs/dbraw/zinc/45/28/38/700452838.db2.gz WFMYHAYVRMTMQZ-HNNXBMFYSA-N 2 1 371.319 3.470 20 10 FGCDMP COc1cc(Br)cc(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)c1O ZINC000093659935 700452842 /nfs/dbraw/zinc/45/28/42/700452842.db2.gz WFMYHAYVRMTMQZ-HNNXBMFYSA-N 2 1 371.319 3.470 20 10 FGCDMP COc1cc(Br)cc(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)c1O ZINC000093659935 700452844 /nfs/dbraw/zinc/45/28/44/700452844.db2.gz WFMYHAYVRMTMQZ-HNNXBMFYSA-N 2 1 371.319 3.470 20 10 FGCDMP COc1cc(Br)cc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)c1O ZINC000093659935 700452846 /nfs/dbraw/zinc/45/28/46/700452846.db2.gz WFMYHAYVRMTMQZ-HNNXBMFYSA-N 2 1 371.319 3.470 20 10 FGCDMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cccc(Br)c2O)C1 ZINC000769516938 723688595 /nfs/dbraw/zinc/68/85/95/723688595.db2.gz VQGHWTBEJRQHIH-OAHLLOKOSA-N 2 1 371.319 3.087 20 10 FGCDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000769516938 723688596 /nfs/dbraw/zinc/68/85/96/723688596.db2.gz VQGHWTBEJRQHIH-OAHLLOKOSA-N 2 1 371.319 3.087 20 10 FGCDMP Oc1ccc(Cl)cc1CN1CCC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000754795924 722945980 /nfs/dbraw/zinc/94/59/80/722945980.db2.gz RDIOMYUCSKBWES-GBESFXJTSA-N 2 1 363.933 3.226 20 10 FGCDMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1ccc(N2CCOCC2)cc1Cl ZINC000817947418 727289184 /nfs/dbraw/zinc/28/91/84/727289184.db2.gz NEQGMYZCVAUYET-JYJNAYRXSA-N 2 1 351.922 3.215 20 10 FGCDMP Cc1cc(Br)cc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1O ZINC000841087152 730209203 /nfs/dbraw/zinc/20/92/03/730209203.db2.gz NFKQOUOOBHODND-XJKSGUPXSA-N 2 1 353.304 3.427 20 10 FGCDMP Oc1ccc(Br)cc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000843126619 730589007 /nfs/dbraw/zinc/58/90/07/730589007.db2.gz LWGITGGNTOJKJV-UONOGXRCSA-N 2 1 353.304 3.366 20 10 FGCDMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2cc(Br)ccc2O)C1 ZINC000844912723 730788596 /nfs/dbraw/zinc/78/85/96/730788596.db2.gz WKAPIZUXVRRPPF-VYDXJSESSA-N 2 1 369.303 3.016 20 10 FGCDMP C[C@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1cccc(C(F)(F)F)c1O ZINC000873291662 735747213 /nfs/dbraw/zinc/74/72/13/735747213.db2.gz HDUCNFOMOSWRJH-QWHCGFSZSA-N 2 1 358.404 3.220 20 10 FGCDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000121522789 494790465 /nfs/dbraw/zinc/79/04/65/494790465.db2.gz LDTMEUYQKHBPAX-JKSUJKDBSA-N 2 1 360.477 3.154 20 10 FGCDMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc(F)cc1O ZINC000186519684 496028594 /nfs/dbraw/zinc/02/85/94/496028594.db2.gz UMGGQIRQSPQXPM-DNVCBOLYSA-N 2 1 358.457 3.339 20 10 FGCDMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc(F)cc1O ZINC000186519684 496028601 /nfs/dbraw/zinc/02/86/01/496028601.db2.gz UMGGQIRQSPQXPM-DNVCBOLYSA-N 2 1 358.457 3.339 20 10 FGCDMP Cc1ccc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)c(O)c1 ZINC000185084929 496653098 /nfs/dbraw/zinc/65/30/98/496653098.db2.gz IYEGVHJTNXNTNN-GOSISDBHSA-N 2 1 353.510 3.299 20 10 FGCDMP COc1c(O)c(C[NH2+]Cc2ccccc2C[N@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC000278525605 497143334 /nfs/dbraw/zinc/14/33/34/497143334.db2.gz TTZCMYXDJXSVFX-UHFFFAOYSA-N 2 1 373.453 3.439 20 10 FGCDMP COc1c(O)c(C[NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC000278525605 497143337 /nfs/dbraw/zinc/14/33/37/497143337.db2.gz TTZCMYXDJXSVFX-UHFFFAOYSA-N 2 1 373.453 3.439 20 10 FGCDMP CC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(F)cc1[O-] ZINC000286230307 498331929 /nfs/dbraw/zinc/33/19/29/498331929.db2.gz STXSGDXCRZXKIR-ICSRJNTNSA-N 2 1 358.457 3.339 20 10 FGCDMP CC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(F)cc1O ZINC000286230307 498331940 /nfs/dbraw/zinc/33/19/40/498331940.db2.gz STXSGDXCRZXKIR-ICSRJNTNSA-N 2 1 358.457 3.339 20 10 FGCDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000769515042 723688521 /nfs/dbraw/zinc/68/85/21/723688521.db2.gz NFBFSMASNNAOKN-INIZCTEOSA-N 2 1 371.319 3.087 20 10 FGCDMP C[NH+]1CCC2(CCC[N@H+](Cc3cccc(Br)c3O)C2)CC1 ZINC000798957349 723979937 /nfs/dbraw/zinc/97/99/37/723979937.db2.gz UHPYFJIWZNNODF-UHFFFAOYSA-N 2 1 353.304 3.463 20 10 FGCDMP C[NH+]1CCC2(CCC[N@@H+](Cc3cccc(Br)c3O)C2)CC1 ZINC000798957349 723979939 /nfs/dbraw/zinc/97/99/39/723979939.db2.gz UHPYFJIWZNNODF-UHFFFAOYSA-N 2 1 353.304 3.463 20 10 FGCDMP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1cccc(C(F)(F)F)c1O ZINC000815578197 727084497 /nfs/dbraw/zinc/08/44/97/727084497.db2.gz JOBQWPTXLPZEQX-UONOGXRCSA-N 2 1 360.420 3.299 20 10 FGCDMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cccc(C(F)(F)F)c1O ZINC000815578197 727084500 /nfs/dbraw/zinc/08/45/00/727084500.db2.gz JOBQWPTXLPZEQX-UONOGXRCSA-N 2 1 360.420 3.299 20 10 FGCDMP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1cccc(C(F)(F)F)c1O ZINC000815578198 727084733 /nfs/dbraw/zinc/08/47/33/727084733.db2.gz JOBQWPTXLPZEQX-ZIAGYGMSSA-N 2 1 360.420 3.299 20 10 FGCDMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cccc(C(F)(F)F)c1O ZINC000815578198 727084735 /nfs/dbraw/zinc/08/47/35/727084735.db2.gz JOBQWPTXLPZEQX-ZIAGYGMSSA-N 2 1 360.420 3.299 20 10 FGCDMP C[NH+](C)CCOc1cccc(C[NH2+]Cc2cc(Cl)c(F)cc2O)c1 ZINC000816536434 727172995 /nfs/dbraw/zinc/17/29/95/727172995.db2.gz XNQYUPUPTLDUKR-UHFFFAOYSA-N 2 1 352.837 3.415 20 10 FGCDMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(Cl)cc1O ZINC000841754431 730271020 /nfs/dbraw/zinc/27/10/20/730271020.db2.gz RMXFVXYJRIIPSR-KSSFIOAISA-N 2 1 360.885 3.463 20 10 FGCDMP COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1O ZINC000848518244 731174304 /nfs/dbraw/zinc/17/43/04/731174304.db2.gz JJFSZBHPWNGKMK-RYUDHWBXSA-N 2 1 369.303 3.298 20 10 FGCDMP COc1c(O)c(C[N@H+](C)CCCC[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000895683819 742439252 /nfs/dbraw/zinc/43/92/52/742439252.db2.gz TXNSFLOYDAIURV-UHFFFAOYSA-N 2 1 351.447 3.007 20 10 FGCDMP COc1c(O)c(C[N@@H+](C)CCCC[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000895683819 742439254 /nfs/dbraw/zinc/43/92/54/742439254.db2.gz TXNSFLOYDAIURV-UHFFFAOYSA-N 2 1 351.447 3.007 20 10 FGCDMP C[C@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cc(Cl)c(Cl)cc1O ZINC000925851872 759558540 /nfs/dbraw/zinc/55/85/40/759558540.db2.gz SUJCQINBGCNKBL-QWRGUYRKSA-N 2 1 373.280 3.035 20 10 FGCDMP CC(=O)c1cc(F)cc(C[N@H+](C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)c1[O-] ZINC000372522041 499138677 /nfs/dbraw/zinc/13/86/77/499138677.db2.gz MJPVFWAYLCYAGE-JXFKEZNVSA-N 2 1 371.456 3.254 20 10 FGCDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(N2CCCCC2)cc1 ZINC000371471001 499331469 /nfs/dbraw/zinc/33/14/69/499331469.db2.gz QCJNTCUAOUQWOW-YPAWHYETSA-N 2 1 357.542 3.360 20 10 FGCDMP COc1cc(O)c(C[NH2+]C[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)cc1OC ZINC000378522542 499527710 /nfs/dbraw/zinc/52/77/10/499527710.db2.gz SPCNDYZGNYJRSP-IIBYNOLFSA-N 2 1 356.466 3.192 20 10 FGCDMP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000153733406 705009895 /nfs/dbraw/zinc/00/98/95/705009895.db2.gz PHOPYCZWIQFQKO-QGZVFWFLSA-N 2 1 351.510 3.435 20 10 FGCDMP C[C@@H]([NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000817899402 727287368 /nfs/dbraw/zinc/28/73/68/727287368.db2.gz LMLVUBMZWHOHQS-VKJFTORMSA-N 2 1 353.457 3.377 20 10 FGCDMP COc1cc(Br)cc([C@@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)c1O ZINC000848522966 731174859 /nfs/dbraw/zinc/17/48/59/731174859.db2.gz ZUKSQCJDGAAJCC-LLVKDONJSA-N 2 1 369.303 3.441 20 10 FGCDMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cc(Cl)ccc1O ZINC000850506869 731366501 /nfs/dbraw/zinc/36/65/01/731366501.db2.gz CJRHDBIKYFNIDE-KSSFIOAISA-N 2 1 360.885 3.463 20 10 FGCDMP CCOc1ccc(O)c(C[N@H+](C)C2CCN(c3cc(C)[nH+]c(C)n3)CC2)c1 ZINC000092645071 494692848 /nfs/dbraw/zinc/69/28/48/494692848.db2.gz OAHXWHGIFKSUAW-UHFFFAOYSA-N 2 1 370.497 3.299 20 10 FGCDMP CCOc1ccc(O)c(C[N@@H+](C)C2CCN(c3cc(C)[nH+]c(C)n3)CC2)c1 ZINC000092645071 494692857 /nfs/dbraw/zinc/69/28/57/494692857.db2.gz OAHXWHGIFKSUAW-UHFFFAOYSA-N 2 1 370.497 3.299 20 10 FGCDMP C[N@H+](CCCO)C1CC[NH+](Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000093394878 494886111 /nfs/dbraw/zinc/88/61/11/494886111.db2.gz FAHVTDWPHRCINF-UHFFFAOYSA-N 2 1 354.494 3.338 20 10 FGCDMP C[N@@H+](CCCO)C1CC[NH+](Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000093394878 494886115 /nfs/dbraw/zinc/88/61/15/494886115.db2.gz FAHVTDWPHRCINF-UHFFFAOYSA-N 2 1 354.494 3.338 20 10 FGCDMP COc1ccc(O)c([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)c1 ZINC000186519714 496028772 /nfs/dbraw/zinc/02/87/72/496028772.db2.gz MSTRQIYKFAVZLD-QFBILLFUSA-N 2 1 370.493 3.208 20 10 FGCDMP C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000178254442 496387883 /nfs/dbraw/zinc/38/78/83/496387883.db2.gz ZMILZDWEJDOYQN-MRXNPFEDSA-N 2 1 361.505 3.187 20 10 FGCDMP COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCOCC2)c1 ZINC000184894235 496573823 /nfs/dbraw/zinc/57/38/23/496573823.db2.gz OVUHMMBWZYZGIC-MRXNPFEDSA-N 2 1 356.466 3.084 20 10 FGCDMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@H]3CCc4cccc(O)c43)c2)CCO1 ZINC000296033791 497898466 /nfs/dbraw/zinc/89/84/66/497898466.db2.gz QGEJLMMWMFGWRH-UZLBHIALSA-N 2 1 352.478 3.390 20 10 FGCDMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@H]3CCc4cccc(O)c43)c2)CCO1 ZINC000296033791 497898471 /nfs/dbraw/zinc/89/84/71/497898471.db2.gz QGEJLMMWMFGWRH-UZLBHIALSA-N 2 1 352.478 3.390 20 10 FGCDMP COc1c(O)c(C[N@H+]2CCC[C@@H]2Cn2ccnc2C(C)C)ccc1[N+](=O)[O-] ZINC000365826982 498657553 /nfs/dbraw/zinc/65/75/53/498657553.db2.gz RFBBHAPAGZBMDJ-OAHLLOKOSA-N 2 1 374.441 3.294 20 10 FGCDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(Br)cc(OC)c2O)[C@@H](C)C1 ZINC000245727300 713610677 /nfs/dbraw/zinc/61/06/77/713610677.db2.gz IXYSJNNVWXBTBI-SWLSCSKDSA-N 2 1 371.319 3.325 20 10 FGCDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(Br)cc(OC)c2O)[C@@H](C)C1 ZINC000245727300 713610678 /nfs/dbraw/zinc/61/06/78/713610678.db2.gz IXYSJNNVWXBTBI-SWLSCSKDSA-N 2 1 371.319 3.325 20 10 FGCDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(Br)cc(OC)c2O)[C@@H](C)C1 ZINC000245727300 713610681 /nfs/dbraw/zinc/61/06/81/713610681.db2.gz IXYSJNNVWXBTBI-SWLSCSKDSA-N 2 1 371.319 3.325 20 10 FGCDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000769515046 723688486 /nfs/dbraw/zinc/68/84/86/723688486.db2.gz NFBFSMASNNAOKN-MRXNPFEDSA-N 2 1 371.319 3.087 20 10 FGCDMP C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1cccc(C(F)(F)F)c1O ZINC000788614769 725075904 /nfs/dbraw/zinc/07/59/04/725075904.db2.gz WQNQBMQRWKQQBE-ZDUSSCGKSA-N 2 1 359.436 3.088 20 10 FGCDMP C[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccc(N2CCOCC2)cc1Cl ZINC000817966752 727289878 /nfs/dbraw/zinc/28/98/78/727289878.db2.gz VCOHOLYLPDQPMB-DNVCBOLYSA-N 2 1 351.922 3.217 20 10 FGCDMP Cc1cc(O)c(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)c(Cl)c1 ZINC000840936869 730194092 /nfs/dbraw/zinc/19/40/92/730194092.db2.gz NISZIRFSQZQVOW-KRWDZBQOSA-N 2 1 360.885 3.210 20 10 FGCDMP Cc1cc(O)c(C[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c(Cl)c1 ZINC000850357693 731348067 /nfs/dbraw/zinc/34/80/67/731348067.db2.gz RVZGQVFFZFQSLC-QGZVFWFLSA-N 2 1 360.885 3.210 20 10 FGCDMP C[C@H]1CCCN(c2ccc(C[NH2+]C[C@H](O)C[NH+]3CCCC3)cc2Cl)C1 ZINC000863554853 732976548 /nfs/dbraw/zinc/97/65/48/732976548.db2.gz JMGXQAMNEXCEKU-WMZOPIPTSA-N 2 1 365.949 3.123 20 10 FGCDMP C[NH+]1CCN(c2ccc(C[NH2+]Cc3nc(C(C)(C)C)cs3)cc2)CC1 ZINC000883283275 737547122 /nfs/dbraw/zinc/54/71/22/737547122.db2.gz YXPKWECGPHWKTO-UHFFFAOYSA-N 2 1 358.555 3.482 20 10 FGCDMP C[C@@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cc(Cl)c(Cl)cc1O ZINC000925851870 759558191 /nfs/dbraw/zinc/55/81/91/759558191.db2.gz SUJCQINBGCNKBL-MNOVXSKESA-N 2 1 373.280 3.035 20 10 FGCDMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC[N@@H+]1C ZINC000130057983 495335195 /nfs/dbraw/zinc/33/51/95/495335195.db2.gz OFCKUHNVTKOQAV-OWCLPIDISA-N 2 1 353.457 3.329 20 10 FGCDMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC[N@H+]1C ZINC000130057983 495335199 /nfs/dbraw/zinc/33/51/99/495335199.db2.gz OFCKUHNVTKOQAV-OWCLPIDISA-N 2 1 353.457 3.329 20 10 FGCDMP Cc1cccc(NC2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)[nH+]1 ZINC000367467246 499202485 /nfs/dbraw/zinc/20/24/85/499202485.db2.gz LCDJUJCLUVJBTM-UHFFFAOYSA-N 2 1 366.509 3.303 20 10 FGCDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(Br)cc(OC)c2O)[C@@H](C)C1 ZINC000245727304 713610725 /nfs/dbraw/zinc/61/07/25/713610725.db2.gz IXYSJNNVWXBTBI-WFASDCNBSA-N 2 1 371.319 3.325 20 10 FGCDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(Br)cc(OC)c2O)[C@@H](C)C1 ZINC000245727304 713610726 /nfs/dbraw/zinc/61/07/26/713610726.db2.gz IXYSJNNVWXBTBI-WFASDCNBSA-N 2 1 371.319 3.325 20 10 FGCDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(Br)cc(OC)c2O)[C@@H](C)C1 ZINC000245727304 713610728 /nfs/dbraw/zinc/61/07/28/713610728.db2.gz IXYSJNNVWXBTBI-WFASDCNBSA-N 2 1 371.319 3.325 20 10 FGCDMP Oc1ccc(Cl)cc1CN1CCC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000754795925 722945951 /nfs/dbraw/zinc/94/59/51/722945951.db2.gz RDIOMYUCSKBWES-QYZOEREBSA-N 2 1 363.933 3.226 20 10 FGCDMP C[C@H]1CCCN(c2ccc(CNC[C@H](O)C[N@@H+](C)C3CC3)cc2Cl)C1 ZINC000819289607 727364677 /nfs/dbraw/zinc/36/46/77/727364677.db2.gz FTLFKGZOGVJGCV-YJBOKZPZSA-N 2 1 365.949 3.121 20 10 FGCDMP C[C@H]1CCCN(c2ccc(C[NH2+]C[C@H](O)CN(C)C3CC3)cc2Cl)C1 ZINC000819289607 727364679 /nfs/dbraw/zinc/36/46/79/727364679.db2.gz FTLFKGZOGVJGCV-YJBOKZPZSA-N 2 1 365.949 3.121 20 10 FGCDMP Cc1cc(Br)cc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1O ZINC000841087147 730209087 /nfs/dbraw/zinc/20/90/87/730209087.db2.gz NFKQOUOOBHODND-BBRMVZONSA-N 2 1 353.304 3.427 20 10 FGCDMP COc1cc(Br)cc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1O ZINC000848519346 731174075 /nfs/dbraw/zinc/17/40/75/731174075.db2.gz RKMXCCCYIPXADO-FPMFFAJLSA-N 2 1 369.303 3.441 20 10 FGCDMP CCc1cccc(C[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)c1O ZINC000848891684 731218381 /nfs/dbraw/zinc/21/83/81/731218381.db2.gz XVOVESNQUBSWRB-SFHVURJKSA-N 2 1 359.539 3.094 20 10 FGCDMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)CC[N@H+]1C ZINC000163393127 496508851 /nfs/dbraw/zinc/50/88/51/496508851.db2.gz JEYQGULNQZNRRK-GDBMZVCRSA-N 2 1 371.447 3.114 20 10 FGCDMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C)c1ccc(F)c(F)c1[O-] ZINC000372617035 499154508 /nfs/dbraw/zinc/15/45/08/499154508.db2.gz HIEMQPFARZROAY-XJIUQZFPSA-N 2 1 354.441 3.210 20 10 FGCDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CCCCC3)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000377246549 499673728 /nfs/dbraw/zinc/67/37/28/499673728.db2.gz UYBQYJJPJDBMSP-NFBKMPQASA-N 2 1 370.585 3.135 20 10 FGCDMP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cc(Cl)cc(F)c1O ZINC000809738137 725263903 /nfs/dbraw/zinc/26/39/03/725263903.db2.gz QTRSKYSTNBTQPT-INIZCTEOSA-N 2 1 357.901 3.033 20 10 FGCDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cc(Cl)cc(F)c1O ZINC000809738137 725263906 /nfs/dbraw/zinc/26/39/06/725263906.db2.gz QTRSKYSTNBTQPT-INIZCTEOSA-N 2 1 357.901 3.033 20 10 FGCDMP Oc1cc(F)c(Cl)cc1C[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000826940638 729419595 /nfs/dbraw/zinc/41/95/95/729419595.db2.gz DOQVMUNFAXOJTP-INIZCTEOSA-N 2 1 364.848 3.041 20 10 FGCDMP Oc1cc(F)c(Cl)cc1C[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000826940638 729419597 /nfs/dbraw/zinc/41/95/97/729419597.db2.gz DOQVMUNFAXOJTP-INIZCTEOSA-N 2 1 364.848 3.041 20 10 FGCDMP COc1cc(Br)cc(C[N@@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])c1O ZINC000844902265 730787154 /nfs/dbraw/zinc/78/71/54/730787154.db2.gz OHTKCDRZCLDSTJ-FZMZJTMJSA-N 2 1 357.292 3.113 20 10 FGCDMP COc1cc(Br)cc(C[N@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])c1O ZINC000844902265 730787160 /nfs/dbraw/zinc/78/71/60/730787160.db2.gz OHTKCDRZCLDSTJ-FZMZJTMJSA-N 2 1 357.292 3.113 20 10 FGCDMP CC[NH+]1CCC([NH2+][C@@H](C)c2cc(Br)cc(OC)c2O)CC1 ZINC000848520172 731174845 /nfs/dbraw/zinc/17/48/45/731174845.db2.gz PNJVSSCYLKABNA-NSHDSACASA-N 2 1 357.292 3.298 20 10 FGCDMP COc1cc(Br)cc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c1O ZINC000848527936 731175640 /nfs/dbraw/zinc/17/56/40/731175640.db2.gz AHZMIOYXWLPRLN-MDZLAQPJSA-N 2 1 357.292 3.297 20 10 FGCDMP COc1cc(Br)cc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c1O ZINC000848527936 731175641 /nfs/dbraw/zinc/17/56/41/731175641.db2.gz AHZMIOYXWLPRLN-MDZLAQPJSA-N 2 1 357.292 3.297 20 10 FGCDMP Oc1c(Br)cccc1C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000849350839 731251545 /nfs/dbraw/zinc/25/15/45/731251545.db2.gz YNHOGRQKONFKHB-CQSZACIVSA-N 2 1 353.304 3.366 20 10 FGCDMP Oc1c(Br)cccc1C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000849350839 731251547 /nfs/dbraw/zinc/25/15/47/731251547.db2.gz YNHOGRQKONFKHB-CQSZACIVSA-N 2 1 353.304 3.366 20 10 FGCDMP CC[C@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1ccc(F)cc1O ZINC000850481704 731361406 /nfs/dbraw/zinc/36/14/06/731361406.db2.gz AUYWGGFNYKTNAS-IBGZPJMESA-N 2 1 350.478 3.463 20 10 FGCDMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cc(-c4ccccc4)ccc3O)C2)CC1 ZINC000093132882 494830964 /nfs/dbraw/zinc/83/09/64/494830964.db2.gz UFCNTTXDWDDUKK-JOCHJYFZSA-N 2 1 365.521 3.271 20 10 FGCDMP Cc1cc(N2CCC([NH2+][C@@H](C)c3ccc(N(C)C)cc3)CC2)nc(C)[nH+]1 ZINC000162248492 496321597 /nfs/dbraw/zinc/32/15/97/496321597.db2.gz CEULMYATGBEJPH-INIZCTEOSA-N 2 1 353.514 3.479 20 10 FGCDMP C[NH+]1CCN(C[C@H]2CCC[N@@H+](Cc3c(O)ccc4ccccc43)C2)CC1 ZINC000368595653 499311645 /nfs/dbraw/zinc/31/16/45/499311645.db2.gz XRAZZBRKXITPOT-GOSISDBHSA-N 2 1 353.510 3.005 20 10 FGCDMP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cc(Cl)cc(F)c1O ZINC000809738138 725263969 /nfs/dbraw/zinc/26/39/69/725263969.db2.gz QTRSKYSTNBTQPT-MRXNPFEDSA-N 2 1 357.901 3.033 20 10 FGCDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cc(Cl)cc(F)c1O ZINC000809738138 725263971 /nfs/dbraw/zinc/26/39/71/725263971.db2.gz QTRSKYSTNBTQPT-MRXNPFEDSA-N 2 1 357.901 3.033 20 10 FGCDMP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3cccc(Br)c3O)C2)CC1 ZINC000809756604 725265779 /nfs/dbraw/zinc/26/57/79/725265779.db2.gz TWGQUVOGRHMVFO-CQSZACIVSA-N 2 1 353.304 3.318 20 10 FGCDMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cccc(Br)c3O)C2)CC1 ZINC000809756604 725265780 /nfs/dbraw/zinc/26/57/80/725265780.db2.gz TWGQUVOGRHMVFO-CQSZACIVSA-N 2 1 353.304 3.318 20 10 FGCDMP C[NH+](C)CCOc1ccc(C[NH2+]Cc2cc(Cl)c(F)cc2O)cc1 ZINC000816535799 727173129 /nfs/dbraw/zinc/17/31/29/727173129.db2.gz ALWCORGGPAVUCJ-UHFFFAOYSA-N 2 1 352.837 3.415 20 10 FGCDMP C[C@H]([NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H]1CCCC[NH2+]1 ZINC000817899387 727287491 /nfs/dbraw/zinc/28/74/91/727287491.db2.gz LMLVUBMZWHOHQS-HDMKZQKVSA-N 2 1 353.457 3.377 20 10 FGCDMP C[NH+]1CCN([C@H](C[NH2+][C@H]2CCc3cccc(O)c32)c2cccs2)CC1 ZINC000834487770 729807517 /nfs/dbraw/zinc/80/75/17/729807517.db2.gz LQPDVYAKTZBTQO-DLBZAZTESA-N 2 1 357.523 3.019 20 10 FGCDMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)CC1 ZINC000185014656 496622546 /nfs/dbraw/zinc/62/25/46/496622546.db2.gz WKVXWPPOBIGDPN-SFHVURJKSA-N 2 1 359.558 3.339 20 10 FGCDMP C[NH+]1CCN([C@@H](C[NH2+]Cc2cc(Cl)ccc2O)c2cccs2)CC1 ZINC000725841500 722424698 /nfs/dbraw/zinc/42/46/98/722424698.db2.gz LDGDVPKIIFPWQB-INIZCTEOSA-N 2 1 365.930 3.185 20 10 FGCDMP CC[NH+]1CCC([NH2+][C@H](C)c2cc(Br)cc(OC)c2O)CC1 ZINC000848520169 731174775 /nfs/dbraw/zinc/17/47/75/731174775.db2.gz PNJVSSCYLKABNA-LLVKDONJSA-N 2 1 357.292 3.298 20 10 FGCDMP Oc1c(Br)cccc1C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000849350803 731251368 /nfs/dbraw/zinc/25/13/68/731251368.db2.gz XCYCUEJSWJVLPS-AWEZNQCLSA-N 2 1 353.304 3.366 20 10 FGCDMP C[NH+]1CCC2(CCC[N@@H+](Cc3c(O)cccc3Br)C2)CC1 ZINC000862353171 732814267 /nfs/dbraw/zinc/81/42/67/732814267.db2.gz VJAXMXJAOISJQI-UHFFFAOYSA-N 2 1 353.304 3.463 20 10 FGCDMP Cc1ncsc1C[N@H+](Cc1ccc(N(C)C)c(C)c1)C[C@@H]1CC[NH2+]C1 ZINC000923338652 759103018 /nfs/dbraw/zinc/10/30/18/759103018.db2.gz DOUSBSLGHYHXFD-GOSISDBHSA-N 2 1 358.555 3.438 20 10 FGCDMP Cc1ncsc1C[N@@H+](Cc1ccc(N(C)C)c(C)c1)C[C@@H]1CC[NH2+]C1 ZINC000923338652 759103023 /nfs/dbraw/zinc/10/30/23/759103023.db2.gz DOUSBSLGHYHXFD-GOSISDBHSA-N 2 1 358.555 3.438 20 10 FGCDMP CCOc1cccc(C[N@H+](C)C2CCN(c3cc(C)[nH+]c(C)n3)CC2)c1O ZINC000092644975 494693961 /nfs/dbraw/zinc/69/39/61/494693961.db2.gz GYWGLWRIBAVTFR-UHFFFAOYSA-N 2 1 370.497 3.299 20 10 FGCDMP CCOc1cccc(C[N@@H+](C)C2CCN(c3cc(C)[nH+]c(C)n3)CC2)c1O ZINC000092644975 494693967 /nfs/dbraw/zinc/69/39/67/494693967.db2.gz GYWGLWRIBAVTFR-UHFFFAOYSA-N 2 1 370.497 3.299 20 10 FGCDMP COc1c([O-])c(C[NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000365828043 498658824 /nfs/dbraw/zinc/65/88/24/498658824.db2.gz TZTNSNKGCOFWSM-YJBOKZPZSA-N 2 1 371.437 3.092 20 10 FGCDMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(N2CCCCC2)cc1 ZINC000371470998 499331386 /nfs/dbraw/zinc/33/13/86/499331386.db2.gz QCJNTCUAOUQWOW-BHIFYINESA-N 2 1 357.542 3.360 20 10 FGCDMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cccc(Br)c2O)C1 ZINC000769516937 723688566 /nfs/dbraw/zinc/68/85/66/723688566.db2.gz VQGHWTBEJRQHIH-HNNXBMFYSA-N 2 1 371.319 3.087 20 10 FGCDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000769516937 723688567 /nfs/dbraw/zinc/68/85/67/723688567.db2.gz VQGHWTBEJRQHIH-HNNXBMFYSA-N 2 1 371.319 3.087 20 10 FGCDMP C[C@H]([NH2+]CCC[NH+]1CCCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000764667297 723435824 /nfs/dbraw/zinc/43/58/24/723435824.db2.gz QTBCZTXKGKOFMB-INIZCTEOSA-N 2 1 351.922 3.313 20 10 FGCDMP C[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1cccc(C(F)(F)F)c1O ZINC000798184412 723911667 /nfs/dbraw/zinc/91/16/67/723911667.db2.gz USUNQGCGTSGZCO-CQSZACIVSA-N 2 1 359.436 3.089 20 10 FGCDMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cccc(C(F)(F)F)c1O ZINC000798184412 723911668 /nfs/dbraw/zinc/91/16/68/723911668.db2.gz USUNQGCGTSGZCO-CQSZACIVSA-N 2 1 359.436 3.089 20 10 FGCDMP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1cccc(C(F)(F)F)c1O ZINC000815578196 727084720 /nfs/dbraw/zinc/08/47/20/727084720.db2.gz JOBQWPTXLPZEQX-KGLIPLIRSA-N 2 1 360.420 3.299 20 10 FGCDMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cccc(C(F)(F)F)c1O ZINC000815578196 727084724 /nfs/dbraw/zinc/08/47/24/727084724.db2.gz JOBQWPTXLPZEQX-KGLIPLIRSA-N 2 1 360.420 3.299 20 10 FGCDMP COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c1O ZINC000848527937 731175708 /nfs/dbraw/zinc/17/57/08/731175708.db2.gz AHZMIOYXWLPRLN-NTZNESFSSA-N 2 1 357.292 3.297 20 10 FGCDMP COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c1O ZINC000848527937 731175709 /nfs/dbraw/zinc/17/57/09/731175709.db2.gz AHZMIOYXWLPRLN-NTZNESFSSA-N 2 1 357.292 3.297 20 10 FGCDMP C[N@@H+](CCOc1cccc(C[NH2+]Cc2ccccc2O)c1)C1CCOCC1 ZINC000076399878 493885466 /nfs/dbraw/zinc/88/54/66/493885466.db2.gz ZZARIHVCNOXWNA-UHFFFAOYSA-N 2 1 370.493 3.172 20 10 FGCDMP [O-]c1cc(F)c(Cl)cc1C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000293714567 498464954 /nfs/dbraw/zinc/46/49/54/498464954.db2.gz UZKUXMKHUIWQNG-INIZCTEOSA-N 2 1 364.848 3.041 20 10 FGCDMP Oc1cc(F)c(Cl)cc1C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000293714567 498464964 /nfs/dbraw/zinc/46/49/64/498464964.db2.gz UZKUXMKHUIWQNG-INIZCTEOSA-N 2 1 364.848 3.041 20 10 FGCDMP COc1ccc(O)c([C@@H](C)[N@H+]2CCCN(Cc3nccn3C(C)C)CC2)c1 ZINC000372710238 499164639 /nfs/dbraw/zinc/16/46/39/499164639.db2.gz CEEPYWSDEGQNMX-QGZVFWFLSA-N 2 1 372.513 3.447 20 10 FGCDMP CC(C)[NH+]1CCC(N2CC[NH+](Cc3cc(Cl)ccc3O)CC2)CC1 ZINC000769537652 723689231 /nfs/dbraw/zinc/68/92/31/723689231.db2.gz OAUCCXYYIODSFP-UHFFFAOYSA-N 2 1 351.922 3.036 20 10 FGCDMP Cc1cc(Br)cc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c1O ZINC000809767856 725266663 /nfs/dbraw/zinc/26/66/63/725266663.db2.gz VXVKXVQCUKGNOA-CZUORRHYSA-N 2 1 353.304 3.379 20 10 FGCDMP Cc1cc(Br)cc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)c1O ZINC000809767856 725266664 /nfs/dbraw/zinc/26/66/64/725266664.db2.gz VXVKXVQCUKGNOA-CZUORRHYSA-N 2 1 353.304 3.379 20 10 FGCDMP Cc1cc(Br)cc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)c1O ZINC000809767856 725266665 /nfs/dbraw/zinc/26/66/65/725266665.db2.gz VXVKXVQCUKGNOA-CZUORRHYSA-N 2 1 353.304 3.379 20 10 FGCDMP COc1cc(Br)cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1O ZINC000841085971 730209134 /nfs/dbraw/zinc/20/91/34/730209134.db2.gz DTZZMDQVAOJZKH-IUODEOHRSA-N 2 1 369.303 3.127 20 10 FGCDMP COc1cc(Br)cc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1O ZINC000841085971 730209139 /nfs/dbraw/zinc/20/91/39/730209139.db2.gz DTZZMDQVAOJZKH-IUODEOHRSA-N 2 1 369.303 3.127 20 10 FGCDMP CC(=O)c1cc(Cl)cc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c1O ZINC000846227303 730937962 /nfs/dbraw/zinc/93/79/62/730937962.db2.gz NOOVJOBMSGDUJW-CGTJXYLNSA-N 2 1 366.889 3.109 20 10 FGCDMP COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)c1 ZINC000186519730 496029183 /nfs/dbraw/zinc/02/91/83/496029183.db2.gz MSTRQIYKFAVZLD-VQIMIIECSA-N 2 1 370.493 3.208 20 10 FGCDMP Oc1ccc(Cl)cc1CN1CCC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000754795923 722945986 /nfs/dbraw/zinc/94/59/86/722945986.db2.gz RDIOMYUCSKBWES-FHWLQOOXSA-N 2 1 363.933 3.226 20 10 FGCDMP COc1cccc(Cl)c1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000790995583 723203748 /nfs/dbraw/zinc/20/37/48/723203748.db2.gz KDHMQBVPGBMEMH-UHFFFAOYSA-N 2 1 359.901 3.390 20 10 FGCDMP C[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccc(N2CCOCC2)cc1Cl ZINC000817966753 727289722 /nfs/dbraw/zinc/28/97/22/727289722.db2.gz VCOHOLYLPDQPMB-HNAYVOBHSA-N 2 1 351.922 3.217 20 10 FGCDMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3cc(Cl)c(C)cc3O)CC2)CC1 ZINC000826131709 729405743 /nfs/dbraw/zinc/40/57/43/729405743.db2.gz XWMSYEDQXGBVOF-UHFFFAOYSA-N 2 1 365.949 3.346 20 10 FGCDMP [NH3+]C[C@@H]([NH2+]Cc1ccc(N2CCCCC2)c(Br)c1)C1CC1 ZINC000841029582 730204895 /nfs/dbraw/zinc/20/48/95/730204895.db2.gz WMNSYZQBNJJPSK-MRXNPFEDSA-N 2 1 352.320 3.266 20 10 FGCDMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(Cl)cc1O ZINC000841752690 730270820 /nfs/dbraw/zinc/27/08/20/730270820.db2.gz VBGRXQCJUVUDNH-VHSSKADRSA-N 2 1 352.906 3.464 20 10 FGCDMP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000850502746 731365669 /nfs/dbraw/zinc/36/56/69/731365669.db2.gz YPEZRDPSNRILJH-KBPBESRZSA-N 2 1 361.452 3.334 20 10 FGCDMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccc(Cl)cc1O ZINC000850510564 731366866 /nfs/dbraw/zinc/36/68/66/731366866.db2.gz YITUMFLOWNZUET-KBXCAEBGSA-N 2 1 360.885 3.463 20 10 FGCDMP C[C@@H]1CCCN(c2ccc(C[NH2+]C[C@H](O)C[NH+]3CCCC3)cc2Cl)C1 ZINC000863554850 732976431 /nfs/dbraw/zinc/97/64/31/732976431.db2.gz JMGXQAMNEXCEKU-AEFFLSMTSA-N 2 1 365.949 3.123 20 10 FGCDMP FC(F)Oc1ccc(N2CCC([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000166456620 496686147 /nfs/dbraw/zinc/68/61/47/496686147.db2.gz CEOAONIMEKZFGL-SJLPKXTDSA-N 2 1 365.468 3.473 20 10 FGCDMP FC(F)Oc1ccc(N2CCC([NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000371106963 499289251 /nfs/dbraw/zinc/28/92/51/499289251.db2.gz CEOAONIMEKZFGL-WMZOPIPTSA-N 2 1 365.468 3.473 20 10 FGCDMP COc1cc(O)c(C[NH2+]C[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)cc1OC ZINC000378522541 499527573 /nfs/dbraw/zinc/52/75/73/499527573.db2.gz SPCNDYZGNYJRSP-IERDGZPVSA-N 2 1 356.466 3.192 20 10 FGCDMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000799726605 724088373 /nfs/dbraw/zinc/08/83/73/724088373.db2.gz QOOAVPMMVPXZKO-GFCCVEGCSA-N 2 1 360.329 3.376 20 10 FGCDMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cc(Cl)c(Cl)cc1O ZINC000799726605 724088385 /nfs/dbraw/zinc/08/83/85/724088385.db2.gz QOOAVPMMVPXZKO-GFCCVEGCSA-N 2 1 360.329 3.376 20 10 FGCDMP C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1cccc(C(F)(F)F)c1O ZINC000788614767 725075967 /nfs/dbraw/zinc/07/59/67/725075967.db2.gz WQNQBMQRWKQQBE-CYBMUJFWSA-N 2 1 359.436 3.088 20 10 FGCDMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2cc(Cl)cc(C)c2O)CC1 ZINC000808676029 725212879 /nfs/dbraw/zinc/21/28/79/725212879.db2.gz ARNIPHZHAWNKHT-MRXNPFEDSA-N 2 1 353.938 3.422 20 10 FGCDMP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1cccc(C(F)(F)F)c1O ZINC000815578195 727084811 /nfs/dbraw/zinc/08/48/11/727084811.db2.gz JOBQWPTXLPZEQX-KBPBESRZSA-N 2 1 360.420 3.299 20 10 FGCDMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cccc(C(F)(F)F)c1O ZINC000815578195 727084815 /nfs/dbraw/zinc/08/48/15/727084815.db2.gz JOBQWPTXLPZEQX-KBPBESRZSA-N 2 1 360.420 3.299 20 10 FGCDMP COc1cc(Br)cc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c1O ZINC000818431470 727311172 /nfs/dbraw/zinc/31/11/72/727311172.db2.gz NNGUXDSGITXFQF-LBPRGKRZSA-N 2 1 369.303 3.127 20 10 FGCDMP CC(=O)c1cc(Cl)cc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c1O ZINC000846227304 730938000 /nfs/dbraw/zinc/93/80/00/730938000.db2.gz NOOVJOBMSGDUJW-JQHSSLGASA-N 2 1 366.889 3.109 20 10 FGCDMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CC1(C)C ZINC000858137230 732184670 /nfs/dbraw/zinc/18/46/70/732184670.db2.gz KBHUYCIHMSQWDD-ZWKOTPCHSA-N 2 1 365.949 3.472 20 10 FGCDMP C[NH+]1CCN(c2ccc(C[NH2+]Cc3c(Cl)cncc3Cl)cc2)CC1 ZINC000883282703 737547114 /nfs/dbraw/zinc/54/71/14/737547114.db2.gz BATVIZXSBSFMRV-UHFFFAOYSA-N 2 1 365.308 3.430 20 10 FGCDMP Cc1cc(NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)nc(C)[nH+]1 ZINC000091675348 494642521 /nfs/dbraw/zinc/64/25/21/494642521.db2.gz JEGPTCHQQOTTNK-UHFFFAOYSA-N 2 1 351.498 3.238 20 10 FGCDMP CC[C@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1ccccc1O ZINC000155240029 495887730 /nfs/dbraw/zinc/88/77/30/495887730.db2.gz PVVAKBWOKGYGIQ-NRFANRHFSA-N 2 1 353.510 3.381 20 10 FGCDMP COc1cc(O)c(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cc1OC ZINC000160321845 495935502 /nfs/dbraw/zinc/93/55/02/495935502.db2.gz HGMTWHVSALUEGF-GOSISDBHSA-N 2 1 370.493 3.363 20 10 FGCDMP COc1cc(O)c(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1OC ZINC000160321845 495935506 /nfs/dbraw/zinc/93/55/06/495935506.db2.gz HGMTWHVSALUEGF-GOSISDBHSA-N 2 1 370.493 3.363 20 10 FGCDMP COc1cc(O)c(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1OC ZINC000160321845 495935511 /nfs/dbraw/zinc/93/55/11/495935511.db2.gz HGMTWHVSALUEGF-GOSISDBHSA-N 2 1 370.493 3.363 20 10 FGCDMP COc1cc(Br)cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1O ZINC000092043143 700431086 /nfs/dbraw/zinc/43/10/86/700431086.db2.gz OUBCFVIAVJJPRO-DOMZBBRYSA-N 2 1 369.303 3.079 20 10 FGCDMP COc1cc(Br)cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1O ZINC000092043143 700431088 /nfs/dbraw/zinc/43/10/88/700431088.db2.gz OUBCFVIAVJJPRO-DOMZBBRYSA-N 2 1 369.303 3.079 20 10 FGCDMP COc1cc(Br)cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1O ZINC000092043143 700431089 /nfs/dbraw/zinc/43/10/89/700431089.db2.gz OUBCFVIAVJJPRO-DOMZBBRYSA-N 2 1 369.303 3.079 20 10 FGCDMP COc1cc(Br)cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1O ZINC000092043143 700431092 /nfs/dbraw/zinc/43/10/92/700431092.db2.gz OUBCFVIAVJJPRO-DOMZBBRYSA-N 2 1 369.303 3.079 20 10 FGCDMP Cc1cc(Br)cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1O ZINC000224492418 713571610 /nfs/dbraw/zinc/57/16/10/713571610.db2.gz BNHFKMDTHIIPPE-XJKSGUPXSA-N 2 1 353.304 3.379 20 10 FGCDMP Cc1cc(Br)cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1O ZINC000224492418 713571613 /nfs/dbraw/zinc/57/16/13/713571613.db2.gz BNHFKMDTHIIPPE-XJKSGUPXSA-N 2 1 353.304 3.379 20 10 FGCDMP Cc1cc(Br)cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1O ZINC000224492418 713571617 /nfs/dbraw/zinc/57/16/17/713571617.db2.gz BNHFKMDTHIIPPE-XJKSGUPXSA-N 2 1 353.304 3.379 20 10 FGCDMP Cc1cc(Br)cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1O ZINC000224492418 713571620 /nfs/dbraw/zinc/57/16/20/713571620.db2.gz BNHFKMDTHIIPPE-XJKSGUPXSA-N 2 1 353.304 3.379 20 10 FGCDMP C[C@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1cc(F)ccc1O ZINC000756344937 722963119 /nfs/dbraw/zinc/96/31/19/722963119.db2.gz VAXSCTFDLGDIQJ-YOEHRIQHSA-N 2 1 363.502 3.232 20 10 FGCDMP COc1ccc(C[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)cc1C ZINC000806674853 725140489 /nfs/dbraw/zinc/14/04/89/725140489.db2.gz RKIFCARMPIJKIZ-GOSISDBHSA-N 2 1 359.539 3.143 20 10 FGCDMP COc1cc(Cl)cc(C[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)c1O ZINC000843426727 730620013 /nfs/dbraw/zinc/62/00/13/730620013.db2.gz IDHODWBEYWQXPA-AEFFLSMTSA-N 2 1 360.885 3.489 20 10 FGCDMP Oc1cccc(Br)c1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000858196915 732191610 /nfs/dbraw/zinc/19/16/10/732191610.db2.gz YTTBTZYSBYTFSG-AWEZNQCLSA-N 2 1 353.304 3.366 20 10 FGCDMP Oc1cccc(Br)c1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000858196915 732191611 /nfs/dbraw/zinc/19/16/11/732191611.db2.gz YTTBTZYSBYTFSG-AWEZNQCLSA-N 2 1 353.304 3.366 20 10 FGCDMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cc(-c4ccccc4)ccc3O)C2)CC1 ZINC000093132883 494830909 /nfs/dbraw/zinc/83/09/09/494830909.db2.gz UFCNTTXDWDDUKK-QFIPXVFZSA-N 2 1 365.521 3.271 20 10 FGCDMP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)c1ccc(F)cc1O ZINC000185651528 495662787 /nfs/dbraw/zinc/66/27/87/495662787.db2.gz UPVADUDHUNZEQW-OAHLLOKOSA-N 2 1 358.457 3.339 20 10 FGCDMP FC(F)Oc1ccc(N2CCC([NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000166456733 496686483 /nfs/dbraw/zinc/68/64/83/496686483.db2.gz CEOAONIMEKZFGL-FUHWJXTLSA-N 2 1 365.468 3.473 20 10 FGCDMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+][C@H]3CCc4cccc(O)c43)c2)CCO1 ZINC000296033785 497899164 /nfs/dbraw/zinc/89/91/64/497899164.db2.gz QGEJLMMWMFGWRH-JXFKEZNVSA-N 2 1 352.478 3.390 20 10 FGCDMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+][C@H]3CCc4cccc(O)c43)c2)CCO1 ZINC000296033785 497899170 /nfs/dbraw/zinc/89/91/70/497899170.db2.gz QGEJLMMWMFGWRH-JXFKEZNVSA-N 2 1 352.478 3.390 20 10 FGCDMP COc1cc(O)c(C[NH+]2CCC3(C[C@H]3C[N@@H+](C)C3CC3)CC2)cc1OC ZINC000360777236 498307604 /nfs/dbraw/zinc/30/76/04/498307604.db2.gz KOWSHGMJKGKEEB-INIZCTEOSA-N 2 1 360.498 3.106 20 10 FGCDMP C[C@@H]([NH2+]CCC1CC[NH+](C2CCN(C)CC2)CC1)c1ccc(F)cc1O ZINC000368225995 499275651 /nfs/dbraw/zinc/27/56/51/499275651.db2.gz YQHZOHNMQPKQQZ-MRXNPFEDSA-N 2 1 363.521 3.378 20 10 FGCDMP Cc1cc(Br)cc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1O ZINC000158035589 705170886 /nfs/dbraw/zinc/17/08/86/705170886.db2.gz BNHFKMDTHIIPPE-CZUORRHYSA-N 2 1 353.304 3.379 20 10 FGCDMP Cc1cc(Br)cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1O ZINC000158035589 705170887 /nfs/dbraw/zinc/17/08/87/705170887.db2.gz BNHFKMDTHIIPPE-CZUORRHYSA-N 2 1 353.304 3.379 20 10 FGCDMP Cc1cc(Br)cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1O ZINC000158035589 705170890 /nfs/dbraw/zinc/17/08/90/705170890.db2.gz BNHFKMDTHIIPPE-CZUORRHYSA-N 2 1 353.304 3.379 20 10 FGCDMP Cc1cc(Br)cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1O ZINC000158035589 705170891 /nfs/dbraw/zinc/17/08/91/705170891.db2.gz BNHFKMDTHIIPPE-CZUORRHYSA-N 2 1 353.304 3.379 20 10 FGCDMP Cc1cc(Br)cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1O ZINC000158035589 705170893 /nfs/dbraw/zinc/17/08/93/705170893.db2.gz BNHFKMDTHIIPPE-CZUORRHYSA-N 2 1 353.304 3.379 20 10 FGCDMP CC(C)[NH+]1CCC(N2CC[NH+](Cc3c(O)cccc3Cl)CC2)CC1 ZINC000769537533 723689166 /nfs/dbraw/zinc/68/91/66/723689166.db2.gz LTERCMJADNNZOM-UHFFFAOYSA-N 2 1 351.922 3.036 20 10 FGCDMP COc1cc(Br)cc(C[N@H+](C)CCC[NH+]2CCCC2)c1O ZINC000798958091 723980090 /nfs/dbraw/zinc/98/00/90/723980090.db2.gz LZNMIEJFWQEMRR-UHFFFAOYSA-N 2 1 357.292 3.081 20 10 FGCDMP COc1cc(Br)cc(C[N@@H+](C)CCC[NH+]2CCCC2)c1O ZINC000798958091 723980093 /nfs/dbraw/zinc/98/00/93/723980093.db2.gz LZNMIEJFWQEMRR-UHFFFAOYSA-N 2 1 357.292 3.081 20 10 FGCDMP Cc1cc(Br)c(O)c(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c1 ZINC000818431432 727311144 /nfs/dbraw/zinc/31/11/44/727311144.db2.gz LYNCUZXRTKOFDN-ZDUSSCGKSA-N 2 1 353.304 3.427 20 10 FGCDMP Cc1cc(Br)c(O)c(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c1 ZINC000818431432 727311146 /nfs/dbraw/zinc/31/11/46/727311146.db2.gz LYNCUZXRTKOFDN-ZDUSSCGKSA-N 2 1 353.304 3.427 20 10 FGCDMP Cc1cc(O)c(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1Cl ZINC000825478822 729384647 /nfs/dbraw/zinc/38/46/47/729384647.db2.gz GXDDCAZZZIRBSH-SFHVURJKSA-N 2 1 360.885 3.210 20 10 FGCDMP CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1O ZINC000852754541 731630791 /nfs/dbraw/zinc/63/07/91/731630791.db2.gz UOFYABJOPBBZEF-HNNXBMFYSA-N 2 1 350.890 3.460 20 10 FGCDMP CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1O ZINC000852754541 731630793 /nfs/dbraw/zinc/63/07/93/731630793.db2.gz UOFYABJOPBBZEF-HNNXBMFYSA-N 2 1 350.890 3.460 20 10 FGCDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2c(O)cccc2Br)C1 ZINC000862249806 732798834 /nfs/dbraw/zinc/79/88/34/732798834.db2.gz DCLISFNGVJSBOK-AWEZNQCLSA-N 2 1 371.319 3.087 20 10 FGCDMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H]3CCc4cccc(O)c43)c2)CCO1 ZINC000296033789 497898501 /nfs/dbraw/zinc/89/85/01/497898501.db2.gz QGEJLMMWMFGWRH-OXQOHEQNSA-N 2 1 352.478 3.390 20 10 FGCDMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCc4cccc(O)c43)c2)CCO1 ZINC000296033789 497898508 /nfs/dbraw/zinc/89/85/08/497898508.db2.gz QGEJLMMWMFGWRH-OXQOHEQNSA-N 2 1 352.478 3.390 20 10 FGCDMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H]3CCc4cccc(O)c43)CC2)oc1C ZINC000297955407 498621547 /nfs/dbraw/zinc/62/15/47/498621547.db2.gz YYMWEBHWNPEPQV-SFHVURJKSA-N 2 1 355.482 3.486 20 10 FGCDMP CCCOc1ccc(C[N@@H+](C)C2CC[NH+](C3CCOCC3)CC2)c(O)c1 ZINC000372412923 499432057 /nfs/dbraw/zinc/43/20/57/499432057.db2.gz CCARRDBWARLAIG-UHFFFAOYSA-N 2 1 362.514 3.256 20 10 FGCDMP C[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccc(N2CCC(O)CC2)cc1 ZINC000373520700 499474645 /nfs/dbraw/zinc/47/46/45/499474645.db2.gz ISFMEFGYJCGSMS-OCDPCBSRSA-N 2 1 357.542 3.315 20 10 FGCDMP CC[C@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1ccccc1O ZINC000775482805 723994574 /nfs/dbraw/zinc/99/45/74/723994574.db2.gz BKJMLIKAWMWMDI-ZWKOTPCHSA-N 2 1 359.539 3.483 20 10 FGCDMP COc1ccc(C[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)cc1C ZINC000806674855 725140391 /nfs/dbraw/zinc/14/03/91/725140391.db2.gz RKIFCARMPIJKIZ-SFHVURJKSA-N 2 1 359.539 3.143 20 10 FGCDMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cc(Br)ccc3O)C2)CC1 ZINC000809755199 725265387 /nfs/dbraw/zinc/26/53/87/725265387.db2.gz HYLMSZRPTUZWEJ-CQSZACIVSA-N 2 1 353.304 3.318 20 10 FGCDMP C[NH+]1CCC([C@H]2CC[N@H+](Cc3cccc(Br)c3O)C2)CC1 ZINC000809756601 725265698 /nfs/dbraw/zinc/26/56/98/725265698.db2.gz TWGQUVOGRHMVFO-AWEZNQCLSA-N 2 1 353.304 3.318 20 10 FGCDMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cccc(Br)c3O)C2)CC1 ZINC000809756601 725265701 /nfs/dbraw/zinc/26/57/01/725265701.db2.gz TWGQUVOGRHMVFO-AWEZNQCLSA-N 2 1 353.304 3.318 20 10 FGCDMP C[C@H]([NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000817899386 727287590 /nfs/dbraw/zinc/28/75/90/727287590.db2.gz LMLVUBMZWHOHQS-DAYGRLMNSA-N 2 1 353.457 3.377 20 10 FGCDMP C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000817947419 727289260 /nfs/dbraw/zinc/28/92/60/727289260.db2.gz NEQGMYZCVAUYET-OWCLPIDISA-N 2 1 351.922 3.215 20 10 FGCDMP C[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccc(N2CCOCC2)cc1Cl ZINC000817966754 727289766 /nfs/dbraw/zinc/28/97/66/727289766.db2.gz VCOHOLYLPDQPMB-KXBFYZLASA-N 2 1 351.922 3.217 20 10 FGCDMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3ccc(Br)cc3O)C2)CC1 ZINC000825928544 729399815 /nfs/dbraw/zinc/39/98/15/729399815.db2.gz YMTIMAGTLNELGS-CQSZACIVSA-N 2 1 353.304 3.318 20 10 FGCDMP Cc1cc(Br)cc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1O ZINC000843045460 730573375 /nfs/dbraw/zinc/57/33/75/730573375.db2.gz RXZREAYQDXRRHC-CJNGLKHVSA-N 2 1 353.304 3.427 20 10 FGCDMP Cc1cc(Br)cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1O ZINC000843045460 730573379 /nfs/dbraw/zinc/57/33/79/730573379.db2.gz RXZREAYQDXRRHC-CJNGLKHVSA-N 2 1 353.304 3.427 20 10 FGCDMP CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1O ZINC000843386161 730612736 /nfs/dbraw/zinc/61/27/36/730612736.db2.gz IOBBJJSMGKCATR-CABCVRRESA-N 2 1 350.890 3.460 20 10 FGCDMP CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1O ZINC000843386161 730612740 /nfs/dbraw/zinc/61/27/40/730612740.db2.gz IOBBJJSMGKCATR-CABCVRRESA-N 2 1 350.890 3.460 20 10 FGCDMP C[C@H]1C[C@H]([NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)CC[N@@H+]1C ZINC000157714201 496537185 /nfs/dbraw/zinc/53/71/85/496537185.db2.gz RMQAOLFNRMGNIL-GOEBONIOSA-N 2 1 353.457 3.329 20 10 FGCDMP C[C@H]1C[C@H]([NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)CC[N@H+]1C ZINC000157714201 496537192 /nfs/dbraw/zinc/53/71/92/496537192.db2.gz RMQAOLFNRMGNIL-GOEBONIOSA-N 2 1 353.457 3.329 20 10 FGCDMP COc1c(O)c(C[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000278563375 497154356 /nfs/dbraw/zinc/15/43/56/497154356.db2.gz BOPVGCNNVGCRDU-CQSZACIVSA-N 2 1 351.447 3.053 20 10 FGCDMP COc1c(O)c(C[NH2+]CCCC[N@H+]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000278563375 497154360 /nfs/dbraw/zinc/15/43/60/497154360.db2.gz BOPVGCNNVGCRDU-CQSZACIVSA-N 2 1 351.447 3.053 20 10 FGCDMP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000293863872 498516052 /nfs/dbraw/zinc/51/60/52/498516052.db2.gz IMGIPQFTHDDOBA-UHFFFAOYSA-N 2 1 367.852 3.200 20 10 FGCDMP COc1cc(Br)cc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)c1O ZINC000105442790 700500931 /nfs/dbraw/zinc/50/09/31/700500931.db2.gz UVZLLONRIZCTIO-LLVKDONJSA-N 2 1 368.275 3.094 20 10 FGCDMP Cc1cc(Br)cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1O ZINC000224492470 713571889 /nfs/dbraw/zinc/57/18/89/713571889.db2.gz BNHFKMDTHIIPPE-BBRMVZONSA-N 2 1 353.304 3.379 20 10 FGCDMP Cc1cc(Br)cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1O ZINC000224492470 713571894 /nfs/dbraw/zinc/57/18/94/713571894.db2.gz BNHFKMDTHIIPPE-BBRMVZONSA-N 2 1 353.304 3.379 20 10 FGCDMP Cc1cc(Br)cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1O ZINC000224492470 713571898 /nfs/dbraw/zinc/57/18/98/713571898.db2.gz BNHFKMDTHIIPPE-BBRMVZONSA-N 2 1 353.304 3.379 20 10 FGCDMP Cc1cc(Br)cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1O ZINC000224492470 713571900 /nfs/dbraw/zinc/57/19/00/713571900.db2.gz BNHFKMDTHIIPPE-BBRMVZONSA-N 2 1 353.304 3.379 20 10 FGCDMP Cc1ccc([C@@H](C)[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)c(O)c1 ZINC000756345374 722963151 /nfs/dbraw/zinc/96/31/51/722963151.db2.gz XFSZAHWVMUQCIF-AEFFLSMTSA-N 2 1 359.539 3.401 20 10 FGCDMP Cc1ccc([C@H](C)[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)c(O)c1 ZINC000756345380 722963163 /nfs/dbraw/zinc/96/31/63/722963163.db2.gz XFSZAHWVMUQCIF-WMZOPIPTSA-N 2 1 359.539 3.401 20 10 FGCDMP Cc1cc(Br)c(O)c(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000843125002 730588390 /nfs/dbraw/zinc/58/83/90/730588390.db2.gz KXVFDXRNXNSUDD-KBPBESRZSA-N 2 1 353.304 3.285 20 10 FGCDMP Cc1cc(Br)c(O)c(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000843125002 730588395 /nfs/dbraw/zinc/58/83/95/730588395.db2.gz KXVFDXRNXNSUDD-KBPBESRZSA-N 2 1 353.304 3.285 20 10 FGCDMP COc1cc(Br)cc(C[N@@H+]2CCC[C@H](C)[C@H]2CC[NH3+])c1O ZINC000844902267 730786989 /nfs/dbraw/zinc/78/69/89/730786989.db2.gz OHTKCDRZCLDSTJ-SMDDNHRTSA-N 2 1 357.292 3.113 20 10 FGCDMP COc1cc(Br)cc(C[N@H+]2CCC[C@H](C)[C@H]2CC[NH3+])c1O ZINC000844902267 730786990 /nfs/dbraw/zinc/78/69/90/730786990.db2.gz OHTKCDRZCLDSTJ-SMDDNHRTSA-N 2 1 357.292 3.113 20 10 FGCDMP CC(=O)c1cc(Cl)cc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c1O ZINC000846227305 730938066 /nfs/dbraw/zinc/93/80/66/730938066.db2.gz NOOVJOBMSGDUJW-KBAYOESNSA-N 2 1 366.889 3.109 20 10 FGCDMP COc1cc(Br)cc([C@@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1O ZINC000848518246 731174139 /nfs/dbraw/zinc/17/41/39/731174139.db2.gz JJFSZBHPWNGKMK-VXGBXAGGSA-N 2 1 369.303 3.298 20 10 FGCDMP Oc1ccc(Cl)c(F)c1C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000850344062 731344489 /nfs/dbraw/zinc/34/44/89/731344489.db2.gz APQZZQDSOFBBFB-UHFFFAOYSA-N 2 1 356.869 3.165 20 10 FGCDMP Cc1cc(N2CCC([NH2+][C@H](C)c3ccc(N(C)C)cc3)CC2)nc(C)[nH+]1 ZINC000162248623 496322065 /nfs/dbraw/zinc/32/20/65/496322065.db2.gz CEULMYATGBEJPH-MRXNPFEDSA-N 2 1 353.514 3.479 20 10 FGCDMP C[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)CC[N@H+]1C ZINC000163393239 496508495 /nfs/dbraw/zinc/50/84/95/496508495.db2.gz JEYQGULNQZNRRK-GOEBONIOSA-N 2 1 371.447 3.114 20 10 FGCDMP CC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc(F)cc1[O-] ZINC000286230317 498331726 /nfs/dbraw/zinc/33/17/26/498331726.db2.gz STXSGDXCRZXKIR-UYAOXDASSA-N 2 1 358.457 3.339 20 10 FGCDMP CC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc(F)cc1O ZINC000286230317 498331741 /nfs/dbraw/zinc/33/17/41/498331741.db2.gz STXSGDXCRZXKIR-UYAOXDASSA-N 2 1 358.457 3.339 20 10 FGCDMP [O-]c1cc(F)c(Cl)cc1C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000293714571 498465049 /nfs/dbraw/zinc/46/50/49/498465049.db2.gz UZKUXMKHUIWQNG-MRXNPFEDSA-N 2 1 364.848 3.041 20 10 FGCDMP Oc1cc(F)c(Cl)cc1C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000293714571 498465060 /nfs/dbraw/zinc/46/50/60/498465060.db2.gz UZKUXMKHUIWQNG-MRXNPFEDSA-N 2 1 364.848 3.041 20 10 FGCDMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCN(c3ccc(OC(F)(F)F)cc3)C2)CC[N@H+]1C ZINC000371221115 499299659 /nfs/dbraw/zinc/29/96/59/499299659.db2.gz VQYQDWKOMNAVJL-PMPSAXMXSA-N 2 1 371.447 3.484 20 10 FGCDMP C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C1CCN(c2cc[nH+]cc2)CC1 ZINC000377711226 499723775 /nfs/dbraw/zinc/72/37/75/499723775.db2.gz ZBLPGNQAZBUKMI-UHFFFAOYSA-N 2 1 366.509 3.019 20 10 FGCDMP CC[NH+]1CCC([NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1 ZINC000766237436 723563874 /nfs/dbraw/zinc/56/38/74/723563874.db2.gz KTDGVXXXAQWLRV-MRXNPFEDSA-N 2 1 353.457 3.331 20 10 FGCDMP COc1cc(Br)cc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)c1O ZINC000809767805 725266605 /nfs/dbraw/zinc/26/66/05/725266605.db2.gz UOESEPKYJPPDGZ-WFASDCNBSA-N 2 1 369.303 3.079 20 10 FGCDMP COc1cc(Br)cc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)c1O ZINC000809767805 725266606 /nfs/dbraw/zinc/26/66/06/725266606.db2.gz UOESEPKYJPPDGZ-WFASDCNBSA-N 2 1 369.303 3.079 20 10 FGCDMP COc1cc(Br)cc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c1O ZINC000809767805 725266607 /nfs/dbraw/zinc/26/66/07/725266607.db2.gz UOESEPKYJPPDGZ-WFASDCNBSA-N 2 1 369.303 3.079 20 10 FGCDMP COc1cc(Br)cc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c1O ZINC000809767805 725266608 /nfs/dbraw/zinc/26/66/08/725266608.db2.gz UOESEPKYJPPDGZ-WFASDCNBSA-N 2 1 369.303 3.079 20 10 FGCDMP CC[C@H]([NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@@H]1CCC[NH2+]1 ZINC000817898268 727287035 /nfs/dbraw/zinc/28/70/35/727287035.db2.gz DLEATQBIHXSWJE-WBAXXEDZSA-N 2 1 353.457 3.377 20 10 FGCDMP C[NH+]1CCC2(CCC[N@@H+](Cc3ccc(Br)cc3O)C2)CC1 ZINC000825762749 729394434 /nfs/dbraw/zinc/39/44/34/729394434.db2.gz RQLSWBQFLMDKHV-UHFFFAOYSA-N 2 1 353.304 3.463 20 10 FGCDMP Cc1cc(O)c(C[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1Cl ZINC000826943128 729419553 /nfs/dbraw/zinc/41/95/53/729419553.db2.gz VCBRTCNLOCLGCM-GOSISDBHSA-N 2 1 360.885 3.210 20 10 FGCDMP CC(=O)c1cc(Cl)cc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c1O ZINC000846227306 730938087 /nfs/dbraw/zinc/93/80/87/730938087.db2.gz NOOVJOBMSGDUJW-NXHRZFHOSA-N 2 1 366.889 3.109 20 10 FGCDMP COc1cc(Br)cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1O ZINC000092043142 700430996 /nfs/dbraw/zinc/43/09/96/700430996.db2.gz OUBCFVIAVJJPRO-WFASDCNBSA-N 2 1 369.303 3.079 20 10 FGCDMP COc1cc(Br)cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1O ZINC000092043142 700431002 /nfs/dbraw/zinc/43/10/02/700431002.db2.gz OUBCFVIAVJJPRO-WFASDCNBSA-N 2 1 369.303 3.079 20 10 FGCDMP COc1cc(Br)cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1O ZINC000092043142 700431005 /nfs/dbraw/zinc/43/10/05/700431005.db2.gz OUBCFVIAVJJPRO-WFASDCNBSA-N 2 1 369.303 3.079 20 10 FGCDMP COc1cc(Br)cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1O ZINC000092043142 700431008 /nfs/dbraw/zinc/43/10/08/700431008.db2.gz OUBCFVIAVJJPRO-WFASDCNBSA-N 2 1 369.303 3.079 20 10 FGCDMP Cc1ccc([C@H](C)[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)c(O)c1 ZINC000756345376 722963122 /nfs/dbraw/zinc/96/31/22/722963122.db2.gz XFSZAHWVMUQCIF-FUHWJXTLSA-N 2 1 359.539 3.401 20 10 FGCDMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000765141692 723484367 /nfs/dbraw/zinc/48/43/67/723484367.db2.gz NTVPVJHKKNLRQJ-HNNXBMFYSA-N 2 1 362.905 3.422 20 10 FGCDMP COc1cc(Br)cc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1O ZINC000841085973 730209223 /nfs/dbraw/zinc/20/92/23/730209223.db2.gz DTZZMDQVAOJZKH-SWLSCSKDSA-N 2 1 369.303 3.127 20 10 FGCDMP COc1cc(Br)cc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1O ZINC000841085973 730209224 /nfs/dbraw/zinc/20/92/24/730209224.db2.gz DTZZMDQVAOJZKH-SWLSCSKDSA-N 2 1 369.303 3.127 20 10 FGCDMP C[C@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1cccc(C(F)(F)F)c1O ZINC000873291663 735747142 /nfs/dbraw/zinc/74/71/42/735747142.db2.gz HDUCNFOMOSWRJH-STQMWFEESA-N 2 1 358.404 3.220 20 10 FGCDMP C[C@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cc(Cl)c(Cl)cc1O ZINC000925851874 759558348 /nfs/dbraw/zinc/55/83/48/759558348.db2.gz SUJCQINBGCNKBL-WDEREUQCSA-N 2 1 373.280 3.035 20 10 FGCDMP Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)c(O)c1C ZINC000273415449 496799168 /nfs/dbraw/zinc/79/91/68/496799168.db2.gz IPHLWBMRSGRPHN-YLJYHZDGSA-N 2 1 354.494 3.426 20 10 FGCDMP Cc1cc(C)c([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)c(O)c1 ZINC000285181679 498014337 /nfs/dbraw/zinc/01/43/37/498014337.db2.gz NIFFCKCHYYTWSC-PXNSSMCTSA-N 2 1 354.494 3.426 20 10 FGCDMP Cc1cc(C)c([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)c(O)c1 ZINC000285181687 498015097 /nfs/dbraw/zinc/01/50/97/498015097.db2.gz NIFFCKCHYYTWSC-YLJYHZDGSA-N 2 1 354.494 3.426 20 10 FGCDMP CC[C@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccc(F)cc1O ZINC000286281777 498350291 /nfs/dbraw/zinc/35/02/91/498350291.db2.gz VTLDOWYBATXSHC-IBGZPJMESA-N 2 1 373.472 3.064 20 10 FGCDMP CC[C@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1ccc(F)cc1O ZINC000290372802 498526470 /nfs/dbraw/zinc/52/64/70/498526470.db2.gz RJHNVDUMYJSXDZ-SFHVURJKSA-N 2 1 361.461 3.498 20 10 FGCDMP CC[NH+]1CCC([NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)CC1 ZINC000765645694 723529970 /nfs/dbraw/zinc/52/99/70/723529970.db2.gz WYAIOVUTLWNNLF-UHFFFAOYSA-N 2 1 353.457 3.331 20 10 FGCDMP C[N@@H+](CC1CC1)C[C@@H]1CCN(Cc2cc(Br)ccc2O)C1 ZINC000769513829 723688322 /nfs/dbraw/zinc/68/83/22/723688322.db2.gz FPVHQSUJEQRZKO-AWEZNQCLSA-N 2 1 353.304 3.318 20 10 FGCDMP Cc1cc(Br)cc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c1O ZINC000809767855 725266774 /nfs/dbraw/zinc/26/67/74/725266774.db2.gz VXVKXVQCUKGNOA-CJNGLKHVSA-N 2 1 353.304 3.379 20 10 FGCDMP Cc1cc(Br)cc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)c1O ZINC000809767855 725266775 /nfs/dbraw/zinc/26/67/75/725266775.db2.gz VXVKXVQCUKGNOA-CJNGLKHVSA-N 2 1 353.304 3.379 20 10 FGCDMP Cc1cc(Br)cc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)c1O ZINC000809767855 725266777 /nfs/dbraw/zinc/26/67/77/725266777.db2.gz VXVKXVQCUKGNOA-CJNGLKHVSA-N 2 1 353.304 3.379 20 10 FGCDMP C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl)[C@H]1CCC[NH2+]C1 ZINC000817947421 727289246 /nfs/dbraw/zinc/28/92/46/727289246.db2.gz NEQGMYZCVAUYET-PMPSAXMXSA-N 2 1 351.922 3.215 20 10 FGCDMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cc(Cl)ccc1O ZINC000850506866 731366419 /nfs/dbraw/zinc/36/64/19/731366419.db2.gz CJRHDBIKYFNIDE-KDOFPFPSSA-N 2 1 360.885 3.463 20 10 FGCDMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2c(O)cccc2Br)C[C@H](C)O1 ZINC000858140849 732184939 /nfs/dbraw/zinc/18/49/39/732184939.db2.gz IOYCPFOFFDYVGM-OKILXGFUSA-N 2 1 371.319 3.134 20 10 FGCDMP c1cc(N2CCSCC2)ccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903074061 743802351 /nfs/dbraw/zinc/80/23/51/743802351.db2.gz QTSVAQYIWGZJBD-PRJVBOEPSA-N 2 1 357.567 3.487 20 10 FGCDMP Cc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)c(O)c1C ZINC000273415443 496798910 /nfs/dbraw/zinc/79/89/10/496798910.db2.gz IPHLWBMRSGRPHN-PXNSSMCTSA-N 2 1 354.494 3.426 20 10 FGCDMP COc1c(O)c(C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000278475954 497128006 /nfs/dbraw/zinc/12/80/06/497128006.db2.gz ILYUSQKICNGRMP-ZFWWWQNUSA-N 2 1 363.458 3.052 20 10 FGCDMP COc1c(O)c(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000278475954 497128013 /nfs/dbraw/zinc/12/80/13/497128013.db2.gz ILYUSQKICNGRMP-ZFWWWQNUSA-N 2 1 363.458 3.052 20 10 FGCDMP COc1c([O-])c(C[NH2+]C[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000365828033 498658395 /nfs/dbraw/zinc/65/83/95/498658395.db2.gz TZTNSNKGCOFWSM-CRAIPNDOSA-N 2 1 371.437 3.092 20 10 FGCDMP COc1cc(O)c(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1OC ZINC000367933013 499247386 /nfs/dbraw/zinc/24/73/86/499247386.db2.gz VSDCDSWZTIUKGV-FUHWJXTLSA-N 2 1 370.493 3.410 20 10 FGCDMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(N4CCCCC4)cc3)C2)CC1 ZINC000371336665 499312315 /nfs/dbraw/zinc/31/23/15/499312315.db2.gz QGRGREHENGLGAN-QHCPKHFHSA-N 2 1 370.585 3.277 20 10 FGCDMP C[NH+]1CCN([C@@H]2CCCC[N@H+](Cc3c(O)ccc4ccccc43)C2)CC1 ZINC000377619031 499711160 /nfs/dbraw/zinc/71/11/60/499711160.db2.gz CVMSKJDTTSLXNV-LJQANCHMSA-N 2 1 353.510 3.147 20 10 FGCDMP C[NH+]1CCN([C@@H]2CCCC[N@@H+](Cc3c(O)ccc4ccccc43)C2)CC1 ZINC000377619031 499711162 /nfs/dbraw/zinc/71/11/62/499711162.db2.gz CVMSKJDTTSLXNV-LJQANCHMSA-N 2 1 353.510 3.147 20 10 FGCDMP C[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(N3CCOCC3)cc2)[C@H]1c1ccccc1 ZINC000377760655 499730149 /nfs/dbraw/zinc/73/01/49/499730149.db2.gz JXYORVYAJSTJOG-JTHBVZDNSA-N 2 1 365.521 3.306 20 10 FGCDMP Cc1cc(Br)cc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c1O ZINC000809767857 725266498 /nfs/dbraw/zinc/26/64/98/725266498.db2.gz VXVKXVQCUKGNOA-XJKSGUPXSA-N 2 1 353.304 3.379 20 10 FGCDMP Cc1cc(Br)cc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)c1O ZINC000809767857 725266500 /nfs/dbraw/zinc/26/65/00/725266500.db2.gz VXVKXVQCUKGNOA-XJKSGUPXSA-N 2 1 353.304 3.379 20 10 FGCDMP Cc1cc(Br)cc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)c1O ZINC000809767857 725266503 /nfs/dbraw/zinc/26/65/03/725266503.db2.gz VXVKXVQCUKGNOA-XJKSGUPXSA-N 2 1 353.304 3.379 20 10 FGCDMP COc1cc(Br)cc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c1O ZINC000818431468 727311311 /nfs/dbraw/zinc/31/13/11/727311311.db2.gz NNGUXDSGITXFQF-GFCCVEGCSA-N 2 1 369.303 3.127 20 10 FGCDMP Oc1cc(F)c(Cl)cc1C[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000826940640 729419559 /nfs/dbraw/zinc/41/95/59/729419559.db2.gz DOQVMUNFAXOJTP-MRXNPFEDSA-N 2 1 364.848 3.041 20 10 FGCDMP Oc1cc(F)c(Cl)cc1C[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000826940640 729419560 /nfs/dbraw/zinc/41/95/60/729419560.db2.gz DOQVMUNFAXOJTP-MRXNPFEDSA-N 2 1 364.848 3.041 20 10 FGCDMP Cc1cc(Br)cc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1O ZINC000843124900 730588514 /nfs/dbraw/zinc/58/85/14/730588514.db2.gz KNEXAODYJKMHIN-KGLIPLIRSA-N 2 1 353.304 3.285 20 10 FGCDMP COc1cc(Br)cc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1O ZINC000848554268 731180906 /nfs/dbraw/zinc/18/09/06/731180906.db2.gz SEXQZSVNAYVKCZ-HLVVYCRESA-N 2 1 369.303 3.439 20 10 FGCDMP COc1cc(Br)cc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1O ZINC000848554269 731180976 /nfs/dbraw/zinc/18/09/76/731180976.db2.gz SEXQZSVNAYVKCZ-NDNKKMJESA-N 2 1 369.303 3.439 20 10 FGCDMP Oc1c(Br)cccc1C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000849350804 731251356 /nfs/dbraw/zinc/25/13/56/731251356.db2.gz XCYCUEJSWJVLPS-CQSZACIVSA-N 2 1 353.304 3.366 20 10 FGCDMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H]3CCc4cccc(O)c43)c2)CCO1 ZINC000296033787 497898978 /nfs/dbraw/zinc/89/89/78/497898978.db2.gz QGEJLMMWMFGWRH-OXJNMPFZSA-N 2 1 352.478 3.390 20 10 FGCDMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCc4cccc(O)c43)c2)CCO1 ZINC000296033787 497898990 /nfs/dbraw/zinc/89/89/90/497898990.db2.gz QGEJLMMWMFGWRH-OXJNMPFZSA-N 2 1 352.478 3.390 20 10 FGCDMP CC[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc(F)cc1O ZINC000286237498 498334798 /nfs/dbraw/zinc/33/47/98/498334798.db2.gz TVPBFBOTKTYDOF-LJQANCHMSA-N 2 1 373.472 3.064 20 10 FGCDMP C[NH+]1CCN(C[C@@H]2CCC[N@@H+](Cc3ccc(N4CCCCC4)cc3)C2)CC1 ZINC000368050601 499259463 /nfs/dbraw/zinc/25/94/63/499259463.db2.gz GORZYCPTYYNYIS-QFIPXVFZSA-N 2 1 370.585 3.136 20 10 FGCDMP Cc1ccc(O)c([C@H](C)[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)c1 ZINC000756342973 722963158 /nfs/dbraw/zinc/96/31/58/722963158.db2.gz MBCSYLHFQCHYIA-FUHWJXTLSA-N 2 1 359.539 3.401 20 10 FGCDMP Clc1c[nH+]ccc1NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768527186 723660400 /nfs/dbraw/zinc/66/04/00/723660400.db2.gz FJNRMPRLOSWICQ-UHFFFAOYSA-N 2 1 356.901 3.301 20 10 FGCDMP COc1cc(Br)cc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1O ZINC000841085974 730209260 /nfs/dbraw/zinc/20/92/60/730209260.db2.gz DTZZMDQVAOJZKH-WFASDCNBSA-N 2 1 369.303 3.127 20 10 FGCDMP COc1cc(Br)cc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1O ZINC000841085974 730209261 /nfs/dbraw/zinc/20/92/61/730209261.db2.gz DTZZMDQVAOJZKH-WFASDCNBSA-N 2 1 369.303 3.127 20 10 FGCDMP Cc1cc(O)c(C[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)c(Cl)c1 ZINC000850357692 731348187 /nfs/dbraw/zinc/34/81/87/731348187.db2.gz RVZGQVFFZFQSLC-KRWDZBQOSA-N 2 1 360.885 3.210 20 10 FGCDMP C[C@@H]1CCCN(c2ccc(C[NH2+]C[C@@H](O)C[NH+]3CCCC3)cc2Cl)C1 ZINC000863554852 732976641 /nfs/dbraw/zinc/97/66/41/732976641.db2.gz JMGXQAMNEXCEKU-SJLPKXTDSA-N 2 1 365.949 3.123 20 10 FGCDMP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)c1ccc(F)cc1O ZINC000185651508 495662989 /nfs/dbraw/zinc/66/29/89/495662989.db2.gz UPVADUDHUNZEQW-HNNXBMFYSA-N 2 1 358.457 3.339 20 10 FGCDMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(N(C)C)cc1 ZINC000182264997 496723344 /nfs/dbraw/zinc/72/33/44/496723344.db2.gz DOQYTOJFLXVDSR-JTSKRJEESA-N 2 1 353.510 3.170 20 10 FGCDMP CC[C@@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccc(F)cc1O ZINC000286281778 498349791 /nfs/dbraw/zinc/34/97/91/498349791.db2.gz VTLDOWYBATXSHC-LJQANCHMSA-N 2 1 373.472 3.064 20 10 FGCDMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3cc(F)ccc3O)CC2)CC1 ZINC000368592434 499311479 /nfs/dbraw/zinc/31/14/79/499311479.db2.gz QEHRUPLTTJETHC-UHFFFAOYSA-N 2 1 363.521 3.159 20 10 FGCDMP CCOCc1cc(C[NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)ccc1OC ZINC000377297710 499677733 /nfs/dbraw/zinc/67/77/33/499677733.db2.gz KXALPEKCDBYYIV-UGKGYDQZSA-N 2 1 369.509 3.409 20 10 FGCDMP CCOCc1cc(C[NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)ccc1OC ZINC000377297710 499677735 /nfs/dbraw/zinc/67/77/35/499677735.db2.gz KXALPEKCDBYYIV-UGKGYDQZSA-N 2 1 369.509 3.409 20 10 FGCDMP Cc1nc(C[NH2+]Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)cs1 ZINC000125498388 700736468 /nfs/dbraw/zinc/73/64/68/700736468.db2.gz AJUISEYDFKKNGS-UHFFFAOYSA-N 2 1 356.539 3.273 20 10 FGCDMP Cc1cc(Br)cc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1O ZINC000158035729 705170602 /nfs/dbraw/zinc/17/06/02/705170602.db2.gz BNHFKMDTHIIPPE-CJNGLKHVSA-N 2 1 353.304 3.379 20 10 FGCDMP Cc1cc(Br)cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1O ZINC000158035729 705170609 /nfs/dbraw/zinc/17/06/09/705170609.db2.gz BNHFKMDTHIIPPE-CJNGLKHVSA-N 2 1 353.304 3.379 20 10 FGCDMP Cc1cc(Br)cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1O ZINC000158035729 705170615 /nfs/dbraw/zinc/17/06/15/705170615.db2.gz BNHFKMDTHIIPPE-CJNGLKHVSA-N 2 1 353.304 3.379 20 10 FGCDMP Cc1cc(Br)cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1O ZINC000158035729 705170619 /nfs/dbraw/zinc/17/06/19/705170619.db2.gz BNHFKMDTHIIPPE-CJNGLKHVSA-N 2 1 353.304 3.379 20 10 FGCDMP Cc1cc(Br)cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1O ZINC000158035729 705170624 /nfs/dbraw/zinc/17/06/24/705170624.db2.gz BNHFKMDTHIIPPE-CJNGLKHVSA-N 2 1 353.304 3.379 20 10 FGCDMP Oc1ccc(Cl)cc1CN1CCC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000754795922 722945938 /nfs/dbraw/zinc/94/59/38/722945938.db2.gz RDIOMYUCSKBWES-CEXWTWQISA-N 2 1 363.933 3.226 20 10 FGCDMP Cc1cc(Cl)cc([C@H](C)[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c1O ZINC000817982601 727290453 /nfs/dbraw/zinc/29/04/53/727290453.db2.gz GSOQVGDEYQEANY-OOHWJJMZSA-N 2 1 351.922 3.221 20 10 FGCDMP C[NH+]1CCN([C@H](C[NH2+][C@@H]2CCc3cccc(O)c32)c2cccs2)CC1 ZINC000834487771 729807446 /nfs/dbraw/zinc/80/74/46/729807446.db2.gz LQPDVYAKTZBTQO-IAGOWNOFSA-N 2 1 357.523 3.019 20 10 FGCDMP COc1cc(Br)cc(C[NH2+][C@H](C[NH3+])C2CCCCC2)c1O ZINC000841039405 730205041 /nfs/dbraw/zinc/20/50/41/730205041.db2.gz NNEJAVWMRHCBFZ-CQSZACIVSA-N 2 1 357.292 3.161 20 10 FGCDMP CCc1cccc(C[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)c1O ZINC000848891683 731218397 /nfs/dbraw/zinc/21/83/97/731218397.db2.gz XVOVESNQUBSWRB-GOSISDBHSA-N 2 1 359.539 3.094 20 10 FGCDMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(Br)cc1O ZINC000185414962 495569560 /nfs/dbraw/zinc/56/95/60/495569560.db2.gz ROOAUVGWWFBCIT-DZGCQCFKSA-N 2 1 371.319 3.042 20 10 FGCDMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2cc3c(cc2O)CCCC3)CC1 ZINC000185014675 496622730 /nfs/dbraw/zinc/62/27/30/496622730.db2.gz WKVXWPPOBIGDPN-GOSISDBHSA-N 2 1 359.558 3.339 20 10 FGCDMP COc1ccc(O)c([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)c1 ZINC000185132466 496674560 /nfs/dbraw/zinc/67/45/60/496674560.db2.gz XFJSYVYPMMRGSQ-SJORKVTESA-N 2 1 370.493 3.472 20 10 FGCDMP COc1ccc(O)c([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)c1 ZINC000185132466 496674564 /nfs/dbraw/zinc/67/45/64/496674564.db2.gz XFJSYVYPMMRGSQ-SJORKVTESA-N 2 1 370.493 3.472 20 10 FGCDMP COc1cc(O)c(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1OC ZINC000192921197 497247277 /nfs/dbraw/zinc/24/72/77/497247277.db2.gz WYSRRPHPKZZPFE-KRWDZBQOSA-N 2 1 356.466 3.021 20 10 FGCDMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3c(O)ccc4ccccc43)C2)CC1 ZINC000371333918 499312026 /nfs/dbraw/zinc/31/20/26/499312026.db2.gz FMSBHTYFJQKOEW-LJQANCHMSA-N 2 1 353.510 3.146 20 10 FGCDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(N2CCCCC2)cc1 ZINC000371471000 499331518 /nfs/dbraw/zinc/33/15/18/499331518.db2.gz QCJNTCUAOUQWOW-VSKRKVRLSA-N 2 1 357.542 3.360 20 10 FGCDMP Cc1cc(Cl)cc(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1O ZINC000776216105 724119800 /nfs/dbraw/zinc/11/98/00/724119800.db2.gz NDDATTCRVXFALH-HXUWFJFHSA-N 2 1 360.885 3.081 20 10 FGCDMP Cc1cc(Cl)cc(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1O ZINC000776216105 724119805 /nfs/dbraw/zinc/11/98/05/724119805.db2.gz NDDATTCRVXFALH-HXUWFJFHSA-N 2 1 360.885 3.081 20 10 FGCDMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2cccc(Br)c2[O-])C1 ZINC000844911115 730788292 /nfs/dbraw/zinc/78/82/92/730788292.db2.gz KPJGNVYGDJGAHS-FVQBIDKESA-N 2 1 369.303 3.016 20 10 FGCDMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2cccc(Br)c2O)C1 ZINC000844911115 730788294 /nfs/dbraw/zinc/78/82/94/730788294.db2.gz KPJGNVYGDJGAHS-FVQBIDKESA-N 2 1 369.303 3.016 20 10 FGCDMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2cccc(Br)c2O)C1 ZINC000844911115 730788299 /nfs/dbraw/zinc/78/82/99/730788299.db2.gz KPJGNVYGDJGAHS-FVQBIDKESA-N 2 1 369.303 3.016 20 10 FGCDMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc(Br)cc(OC)c2O)C1 ZINC000848521841 731174742 /nfs/dbraw/zinc/17/47/42/731174742.db2.gz SHDHSPSULRFIQS-NEPJUHHUSA-N 2 1 357.292 3.156 20 10 FGCDMP COc1cc(Br)cc([C@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)c1O ZINC000848537928 731177855 /nfs/dbraw/zinc/17/78/55/731177855.db2.gz PJHHDMAYOOQCJP-NSHDSACASA-N 2 1 355.276 3.076 20 10 FGCDMP COc1cc(O)c(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1OC ZINC000367933014 499247141 /nfs/dbraw/zinc/24/71/41/499247141.db2.gz VSDCDSWZTIUKGV-SJLPKXTDSA-N 2 1 370.493 3.410 20 10 FGCDMP C[C@H]([NH2+]CCC1CC[NH+](C2CCN(C)CC2)CC1)c1ccc(F)cc1O ZINC000368225994 499275705 /nfs/dbraw/zinc/27/57/05/499275705.db2.gz YQHZOHNMQPKQQZ-INIZCTEOSA-N 2 1 363.521 3.378 20 10 FGCDMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCN(c3ccc(OC(F)(F)F)cc3)C2)CC[N@H+]1C ZINC000371221113 499299524 /nfs/dbraw/zinc/29/95/24/499299524.db2.gz VQYQDWKOMNAVJL-OWCLPIDISA-N 2 1 371.447 3.484 20 10 FGCDMP C[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccc(N2CCC(O)CC2)cc1 ZINC000373520698 499474549 /nfs/dbraw/zinc/47/45/49/499474549.db2.gz ISFMEFGYJCGSMS-FQVISZRSSA-N 2 1 357.542 3.315 20 10 FGCDMP Cc1csc(C2([NH2+]Cc3ccc(N4CC[NH+](C)CC4)cc3)CCC2)n1 ZINC000771819593 723743159 /nfs/dbraw/zinc/74/31/59/723743159.db2.gz USYDNJZXKSCXAO-UHFFFAOYSA-N 2 1 356.539 3.372 20 10 FGCDMP CC1=C(Br)C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000797604706 723841536 /nfs/dbraw/zinc/84/15/36/723841536.db2.gz BLAZZBSLZJULOS-UHFFFAOYSA-N 2 1 364.331 3.313 20 10 FGCDMP CC1=C(Br)C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000797604706 723841542 /nfs/dbraw/zinc/84/15/42/723841542.db2.gz BLAZZBSLZJULOS-UHFFFAOYSA-N 2 1 364.331 3.313 20 10 FGCDMP C[C@H]([NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000817899391 727287570 /nfs/dbraw/zinc/28/75/70/727287570.db2.gz LMLVUBMZWHOHQS-MPGHIAIKSA-N 2 1 353.457 3.377 20 10 FGCDMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc(Cl)cc1O ZINC000841754432 730271112 /nfs/dbraw/zinc/27/11/12/730271112.db2.gz RMXFVXYJRIIPSR-RDTXWAMCSA-N 2 1 360.885 3.463 20 10 FGCDMP Oc1ccc(Br)cc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000843126617 730589026 /nfs/dbraw/zinc/58/90/26/730589026.db2.gz LWGITGGNTOJKJV-KBPBESRZSA-N 2 1 353.304 3.366 20 10 FGCDMP COc1cc(Br)cc([C@@H](C)[NH2+]CCn2cc[nH+]c2C)c1O ZINC000848525449 731175303 /nfs/dbraw/zinc/17/53/03/731175303.db2.gz NZILWFXNHZONBB-SNVBAGLBSA-N 2 1 354.248 3.019 20 10 FGCDMP CN(C)c1ccc(C[NH2+]C[C@H]2C[NH2+]CCC2(F)F)c(C(F)(F)F)c1 ZINC000903956088 743905287 /nfs/dbraw/zinc/90/52/87/743905287.db2.gz GROIUCUPDISNBZ-GFCCVEGCSA-N 2 1 351.363 3.106 20 10 FGCDMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(N2CCCCC2)cc1 ZINC000128233578 495064960 /nfs/dbraw/zinc/06/49/60/495064960.db2.gz XLBXDWTUPODYJM-HXUWFJFHSA-N 2 1 358.574 3.355 20 10 FGCDMP COc1c(O)c(C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000278475949 497127711 /nfs/dbraw/zinc/12/77/11/497127711.db2.gz ILYUSQKICNGRMP-UKRRQHHQSA-N 2 1 363.458 3.052 20 10 FGCDMP COc1c(O)c(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000278475949 497127717 /nfs/dbraw/zinc/12/77/17/497127717.db2.gz ILYUSQKICNGRMP-UKRRQHHQSA-N 2 1 363.458 3.052 20 10 FGCDMP C[NH+]1CCN(C[C@@H]2CCC[N@@H+](Cc3c(O)ccc4ccccc43)C2)CC1 ZINC000368595655 499312058 /nfs/dbraw/zinc/31/20/58/499312058.db2.gz XRAZZBRKXITPOT-SFHVURJKSA-N 2 1 353.510 3.005 20 10 FGCDMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(N4CCCCC4)cc3)C2)CC1 ZINC000371336664 499312473 /nfs/dbraw/zinc/31/24/73/499312473.db2.gz QGRGREHENGLGAN-HSZRJFAPSA-N 2 1 370.585 3.277 20 10 FGCDMP Cc1cc(Cl)cc(C[N@H+](C)C2CC[NH+](C3CCOCC3)CC2)c1O ZINC000371427101 499325367 /nfs/dbraw/zinc/32/53/67/499325367.db2.gz SQJLYCXIJXTASX-UHFFFAOYSA-N 2 1 352.906 3.429 20 10 FGCDMP COc1cc(O)c(C[NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)cc1OC ZINC000378522543 499527451 /nfs/dbraw/zinc/52/74/51/499527451.db2.gz SPCNDYZGNYJRSP-KKSFZXQISA-N 2 1 356.466 3.192 20 10 FGCDMP CCOc1cccc(C[N@@H+](C)C2CCN(CCc3ccncc3)CC2)c1O ZINC000377916552 499747778 /nfs/dbraw/zinc/74/77/78/499747778.db2.gz JNHSIMRPGULLEZ-UHFFFAOYSA-N 2 1 369.509 3.325 20 10 FGCDMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(N2CCOCC2)cc1Cl ZINC000765038639 723472174 /nfs/dbraw/zinc/47/21/74/723472174.db2.gz NIARKOIYDLKYKV-YESZJQIVSA-N 2 1 363.933 3.454 20 10 FGCDMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(N2CCOCC2)cc1Cl ZINC000765038639 723472179 /nfs/dbraw/zinc/47/21/79/723472179.db2.gz NIARKOIYDLKYKV-YESZJQIVSA-N 2 1 363.933 3.454 20 10 FGCDMP Cc1cc(Cl)cc(C[NH+]2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)c1O ZINC000775666375 724020057 /nfs/dbraw/zinc/02/00/57/724020057.db2.gz XBFQNQXJARQKDK-CALCHBBNSA-N 2 1 365.949 3.344 20 10 FGCDMP Cc1cc(Cl)cc(C[NH+]2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)c1O ZINC000775666375 724020062 /nfs/dbraw/zinc/02/00/62/724020062.db2.gz XBFQNQXJARQKDK-CALCHBBNSA-N 2 1 365.949 3.344 20 10 FGCDMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3c(O)cccc3Cl)CC2)CC1 ZINC000817413736 727249056 /nfs/dbraw/zinc/24/90/56/727249056.db2.gz DBHHTYLYPLVBRT-UHFFFAOYSA-N 2 1 351.922 3.038 20 10 FGCDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc(Br)cc2O)C1 ZINC000824894436 729363800 /nfs/dbraw/zinc/36/38/00/729363800.db2.gz FDFJNOVFHYNORC-INIZCTEOSA-N 2 1 371.319 3.087 20 10 FGCDMP Cc1cc(Br)cc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1O ZINC000843124903 730588467 /nfs/dbraw/zinc/58/84/67/730588467.db2.gz KNEXAODYJKMHIN-ZIAGYGMSSA-N 2 1 353.304 3.285 20 10 FGCDMP Oc1ccc(Br)cc1C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000849350147 731251532 /nfs/dbraw/zinc/25/15/32/731251532.db2.gz LEQAKNMGHDZGQQ-CQSZACIVSA-N 2 1 353.304 3.366 20 10 FGCDMP C[C@@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1cccc(C(F)(F)F)c1O ZINC000873291660 735747077 /nfs/dbraw/zinc/74/70/77/735747077.db2.gz HDUCNFOMOSWRJH-CHWSQXEVSA-N 2 1 358.404 3.220 20 10 FGCDMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(Br)cc1O ZINC000185414979 495569611 /nfs/dbraw/zinc/56/96/11/495569611.db2.gz ROOAUVGWWFBCIT-UKRRQHHQSA-N 2 1 371.319 3.042 20 10 FGCDMP Cc1ccc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)c(O)c1 ZINC000185084945 496652779 /nfs/dbraw/zinc/65/27/79/496652779.db2.gz IYEGVHJTNXNTNN-SFHVURJKSA-N 2 1 353.510 3.299 20 10 FGCDMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(N3CCC(OC)CC3)cc2)C1 ZINC000295064582 498897246 /nfs/dbraw/zinc/89/72/46/498897246.db2.gz PRCYWTYQLFPGSD-FQEVSTJZSA-N 2 1 359.558 3.466 20 10 FGCDMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(N3CCC(OC)CC3)cc2)C1 ZINC000295064582 498897255 /nfs/dbraw/zinc/89/72/55/498897255.db2.gz PRCYWTYQLFPGSD-FQEVSTJZSA-N 2 1 359.558 3.466 20 10 FGCDMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(N3CCC(OC)CC3)cc2)C1 ZINC000295064582 498897258 /nfs/dbraw/zinc/89/72/58/498897258.db2.gz PRCYWTYQLFPGSD-FQEVSTJZSA-N 2 1 359.558 3.466 20 10 FGCDMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C)c1ccc(F)c(F)c1[O-] ZINC000372617033 499154437 /nfs/dbraw/zinc/15/44/37/499154437.db2.gz HIEMQPFARZROAY-SZOQZIPDSA-N 2 1 354.441 3.210 20 10 FGCDMP COc1cc(O)c(C[N@H+]2CCC[C@@H]2Cn2ccnc2C(C)C)cc1OC ZINC000367221323 499163691 /nfs/dbraw/zinc/16/36/91/499163691.db2.gz IGRFZGCLXKCFQL-MRXNPFEDSA-N 2 1 359.470 3.394 20 10 FGCDMP Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)c1 ZINC000756342971 722963117 /nfs/dbraw/zinc/96/31/17/722963117.db2.gz MBCSYLHFQCHYIA-AEFFLSMTSA-N 2 1 359.539 3.401 20 10 FGCDMP Oc1ccc(Br)cc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000843126620 730588716 /nfs/dbraw/zinc/58/87/16/730588716.db2.gz LWGITGGNTOJKJV-ZIAGYGMSSA-N 2 1 353.304 3.366 20 10 FGCDMP Oc1c(Br)cccc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000843126640 730588817 /nfs/dbraw/zinc/58/88/17/730588817.db2.gz MLIRQBBIICTLNC-KGLIPLIRSA-N 2 1 353.304 3.366 20 10 FGCDMP Oc1c(Br)cccc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000843126640 730588823 /nfs/dbraw/zinc/58/88/23/730588823.db2.gz MLIRQBBIICTLNC-KGLIPLIRSA-N 2 1 353.304 3.366 20 10 FGCDMP CC[N@H+](CCCc1c[nH+]cn1C)Cc1cc(Br)ccc1O ZINC000846809169 730982645 /nfs/dbraw/zinc/98/26/45/730982645.db2.gz XNVUGEMPFAPCFP-UHFFFAOYSA-N 2 1 352.276 3.343 20 10 FGCDMP CC[N@@H+](CCCc1c[nH+]cn1C)Cc1cc(Br)ccc1O ZINC000846809169 730982648 /nfs/dbraw/zinc/98/26/48/730982648.db2.gz XNVUGEMPFAPCFP-UHFFFAOYSA-N 2 1 352.276 3.343 20 10 FGCDMP CCC1([NH3+])CC[NH+]([C@@H](C)c2ccc(N3CCOCC3)cc2Cl)CC1 ZINC000925756673 759533165 /nfs/dbraw/zinc/53/31/65/759533165.db2.gz ONLMGIKWXOSHKH-HNNXBMFYSA-N 2 1 351.922 3.441 20 10 FGCDMP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccc(N(C)C)cc1 ZINC000160442782 495963830 /nfs/dbraw/zinc/96/38/30/495963830.db2.gz CSSKLRBHTCBLBI-SFHVURJKSA-N 2 1 353.510 3.436 20 10 FGCDMP c1ccc(C[N@@H+]2CC[C@@H](C[NH2+]Cc3ccc(N4CCOCC4)cc3)C2)cc1 ZINC000192932109 497251330 /nfs/dbraw/zinc/25/13/30/497251330.db2.gz JXKKMXXNVQEHRL-QFIPXVFZSA-N 2 1 365.521 3.135 20 10 FGCDMP CC[C@H](c1ccccc1O)[NH+]1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC000364622613 498054910 /nfs/dbraw/zinc/05/49/10/498054910.db2.gz LIWJDPJZVWACQW-HXUWFJFHSA-N 2 1 373.541 3.110 20 10 FGCDMP Cc1cc(O)c(C[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)cc1C ZINC000742366112 722556424 /nfs/dbraw/zinc/55/64/24/722556424.db2.gz KMZCPEATBWWKFN-SFHVURJKSA-N 2 1 359.539 3.149 20 10 FGCDMP C[NH+](C)CCOc1ccc(CC[NH2+]Cc2c(O)ccc(Cl)c2F)cc1 ZINC000790959021 723199603 /nfs/dbraw/zinc/19/96/03/723199603.db2.gz DBWDAGQOVQKDQN-UHFFFAOYSA-N 2 1 366.864 3.457 20 10 FGCDMP C[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1cccc(C(F)(F)F)c1O ZINC000798180492 723911081 /nfs/dbraw/zinc/91/10/81/723911081.db2.gz HDUHFZYLWHBFOJ-CYBMUJFWSA-N 2 1 359.436 3.088 20 10 FGCDMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cc(Br)ccc3O)C2)CC1 ZINC000809755198 725265508 /nfs/dbraw/zinc/26/55/08/725265508.db2.gz HYLMSZRPTUZWEJ-AWEZNQCLSA-N 2 1 353.304 3.318 20 10 FGCDMP Cc1cc(Br)c(O)c(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c1 ZINC000818431431 727311196 /nfs/dbraw/zinc/31/11/96/727311196.db2.gz LYNCUZXRTKOFDN-CYBMUJFWSA-N 2 1 353.304 3.427 20 10 FGCDMP Cc1cc(Br)c(O)c(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c1 ZINC000818431431 727311200 /nfs/dbraw/zinc/31/12/00/727311200.db2.gz LYNCUZXRTKOFDN-CYBMUJFWSA-N 2 1 353.304 3.427 20 10 FGCDMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc(Cl)cc1O ZINC000841752686 730270702 /nfs/dbraw/zinc/27/07/02/730270702.db2.gz VBGRXQCJUVUDNH-KKXDTOCCSA-N 2 1 352.906 3.464 20 10 FGCDMP CCC[N@@H+](Cc1cc(Br)cc(OC)c1O)C1CC[NH2+]CC1 ZINC000843044570 730573454 /nfs/dbraw/zinc/57/34/54/730573454.db2.gz JMEYNRXUZOSUCM-UHFFFAOYSA-N 2 1 357.292 3.127 20 10 FGCDMP Cc1cc(Br)c(O)c(C[NH2+]Cc2ccc(C[NH3+])cc2F)c1 ZINC000844904346 730787408 /nfs/dbraw/zinc/78/74/08/730787408.db2.gz IQFOVZOFHNMNEO-UHFFFAOYSA-N 2 1 353.235 3.351 20 10 FGCDMP COc1cc(Br)cc([C@@H](C)[NH2+]CCCn2cc[nH+]c2C)c1O ZINC000848522237 731174856 /nfs/dbraw/zinc/17/48/56/731174856.db2.gz WJIMMZVZHSUILU-LLVKDONJSA-N 2 1 368.275 3.409 20 10 FGCDMP Oc1ccc(Br)cc1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000853093272 731664175 /nfs/dbraw/zinc/66/41/75/731664175.db2.gz HGRWBPVXBWRQLX-AWEZNQCLSA-N 2 1 353.304 3.366 20 10 FGCDMP COc1c(O)c(C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000278475943 497127641 /nfs/dbraw/zinc/12/76/41/497127641.db2.gz ILYUSQKICNGRMP-HIFRSBDPSA-N 2 1 363.458 3.052 20 10 FGCDMP COc1c(O)c(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000278475943 497127645 /nfs/dbraw/zinc/12/76/45/497127645.db2.gz ILYUSQKICNGRMP-HIFRSBDPSA-N 2 1 363.458 3.052 20 10 FGCDMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296310211 497993927 /nfs/dbraw/zinc/99/39/27/497993927.db2.gz FCXLJHPRHLAPLB-PMACEKPBSA-N 2 1 352.478 3.126 20 10 FGCDMP FC(F)Oc1ccc(N2CCC([NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000371106962 499289096 /nfs/dbraw/zinc/28/90/96/499289096.db2.gz CEOAONIMEKZFGL-AEFFLSMTSA-N 2 1 365.468 3.473 20 10 FGCDMP C[C@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1cc(F)ccc1O ZINC000756344936 722963140 /nfs/dbraw/zinc/96/31/40/722963140.db2.gz VAXSCTFDLGDIQJ-WMLDXEAASA-N 2 1 363.502 3.232 20 10 FGCDMP C[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1cccc(C(F)(F)F)c1O ZINC000798180493 723911219 /nfs/dbraw/zinc/91/12/19/723911219.db2.gz HDUHFZYLWHBFOJ-ZDUSSCGKSA-N 2 1 359.436 3.088 20 10 FGCDMP C[NH+]1CCC2(CCC[N@@H+](Cc3cc(Br)ccc3O)C2)CC1 ZINC000798956570 723979689 /nfs/dbraw/zinc/97/96/89/723979689.db2.gz DJVXBTLPNWTUGU-UHFFFAOYSA-N 2 1 353.304 3.463 20 10 FGCDMP Cc1cc(Br)cc(C[NH2+]CCC[NH2+]Cc2cccnc2)c1O ZINC000841042729 730205739 /nfs/dbraw/zinc/20/57/39/730205739.db2.gz QJACHKCAXHPXEX-UHFFFAOYSA-N 2 1 364.287 3.128 20 10 FGCDMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccc(Cl)cc1O ZINC000841752684 730270796 /nfs/dbraw/zinc/27/07/96/730270796.db2.gz VBGRXQCJUVUDNH-DOPJRALCSA-N 2 1 352.906 3.464 20 10 FGCDMP Cc1cc(Br)c(O)c(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000843126602 730588772 /nfs/dbraw/zinc/58/87/72/730588772.db2.gz LOVHIKQEVQEBFZ-AWEZNQCLSA-N 2 1 353.304 3.285 20 10 FGCDMP COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)c1O ZINC000848527368 731175682 /nfs/dbraw/zinc/17/56/82/731175682.db2.gz AKIBVLWGSJPMQA-RYUDHWBXSA-N 2 1 357.292 3.156 20 10 FGCDMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CC1(C)C ZINC000858137229 732184691 /nfs/dbraw/zinc/18/46/91/732184691.db2.gz KBHUYCIHMSQWDD-ROUUACIJSA-N 2 1 365.949 3.472 20 10 FGCDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000121522454 494790877 /nfs/dbraw/zinc/79/08/77/494790877.db2.gz LDTMEUYQKHBPAX-HOTGVXAUSA-N 2 1 360.477 3.154 20 10 FGCDMP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000151357189 495813842 /nfs/dbraw/zinc/81/38/42/495813842.db2.gz AJLWOHGURSFXKG-QGZVFWFLSA-N 2 1 363.521 3.313 20 10 FGCDMP Cc1cc(C)c([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)c(O)c1 ZINC000285181676 498014477 /nfs/dbraw/zinc/01/44/77/498014477.db2.gz NIFFCKCHYYTWSC-FXAWDEMLSA-N 2 1 354.494 3.426 20 10 FGCDMP C[N@H+]1CC[C@H](C[NH2+]Cc2ccc(N3CCOCC3)cc2)[C@@H]1c1ccccc1 ZINC000377760652 499730133 /nfs/dbraw/zinc/73/01/33/499730133.db2.gz JXYORVYAJSTJOG-GGAORHGYSA-N 2 1 365.521 3.306 20 10 FGCDMP COc1cc(Br)cc(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)c1O ZINC000093659934 700453057 /nfs/dbraw/zinc/45/30/57/700453057.db2.gz WFMYHAYVRMTMQZ-OAHLLOKOSA-N 2 1 371.319 3.470 20 10 FGCDMP COc1cc(Br)cc(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)c1O ZINC000093659934 700453059 /nfs/dbraw/zinc/45/30/59/700453059.db2.gz WFMYHAYVRMTMQZ-OAHLLOKOSA-N 2 1 371.319 3.470 20 10 FGCDMP COc1cc(Br)cc(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)c1O ZINC000093659934 700453061 /nfs/dbraw/zinc/45/30/61/700453061.db2.gz WFMYHAYVRMTMQZ-OAHLLOKOSA-N 2 1 371.319 3.470 20 10 FGCDMP COc1cc(Br)cc(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)c1O ZINC000093659934 700453063 /nfs/dbraw/zinc/45/30/63/700453063.db2.gz WFMYHAYVRMTMQZ-OAHLLOKOSA-N 2 1 371.319 3.470 20 10 FGCDMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2cc(Br)ccc2O)C1 ZINC000844912719 730788749 /nfs/dbraw/zinc/78/87/49/730788749.db2.gz WKAPIZUXVRRPPF-HLLBOEOZSA-N 2 1 369.303 3.016 20 10 FGCDMP C[C@@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1cccc(C(F)(F)F)c1O ZINC000873291661 735747158 /nfs/dbraw/zinc/74/71/58/735747158.db2.gz HDUCNFOMOSWRJH-OLZOCXBDSA-N 2 1 358.404 3.220 20 10 FGCDMP C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000178254425 496387751 /nfs/dbraw/zinc/38/77/51/496387751.db2.gz ZMILZDWEJDOYQN-INIZCTEOSA-N 2 1 361.505 3.187 20 10 FGCDMP COc1ccc(O)c([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)c1 ZINC000185132482 496674187 /nfs/dbraw/zinc/67/41/87/496674187.db2.gz XFJSYVYPMMRGSQ-IRXDYDNUSA-N 2 1 370.493 3.472 20 10 FGCDMP COc1ccc(O)c([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)c1 ZINC000185132482 496674190 /nfs/dbraw/zinc/67/41/90/496674190.db2.gz XFJSYVYPMMRGSQ-IRXDYDNUSA-N 2 1 370.493 3.472 20 10 FGCDMP COc1c(O)c(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)ccc1[N+](=O)[O-] ZINC000278534995 497146112 /nfs/dbraw/zinc/14/61/12/497146112.db2.gz VYVUEIWKWLHISG-UHFFFAOYSA-N 2 1 371.437 3.195 20 10 FGCDMP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc(F)cc1O ZINC000285992328 498261110 /nfs/dbraw/zinc/26/11/10/498261110.db2.gz HBVOAYVHHUOFPE-FHWLQOOXSA-N 2 1 350.478 3.340 20 10 FGCDMP CC[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc(F)cc1O ZINC000286237482 498334821 /nfs/dbraw/zinc/33/48/21/498334821.db2.gz TVPBFBOTKTYDOF-IBGZPJMESA-N 2 1 373.472 3.064 20 10 FGCDMP COC1CCN(c2ccc(C[N@@H+](C)C3C[C@H]4CC[C@@H](C3)[NH+]4C)cc2)CC1 ZINC000295147177 498925391 /nfs/dbraw/zinc/92/53/91/498925391.db2.gz DWIYCIRUXFIBIH-WCRBZPEASA-N 2 1 357.542 3.359 20 10 FGCDMP COC1CCN(c2ccc(C[NH+](C)C3C[C@H]4CC[C@@H](C3)[N@H+]4C)cc2)CC1 ZINC000295147177 498925397 /nfs/dbraw/zinc/92/53/97/498925397.db2.gz DWIYCIRUXFIBIH-WCRBZPEASA-N 2 1 357.542 3.359 20 10 FGCDMP COC1CCN(c2ccc(C[NH+](C)C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)cc2)CC1 ZINC000295147177 498925399 /nfs/dbraw/zinc/92/53/99/498925399.db2.gz DWIYCIRUXFIBIH-WCRBZPEASA-N 2 1 357.542 3.359 20 10 FGCDMP C[C@H]1C[N@@H+](Cc2c(O)ccc3ccccc32)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000372854523 499184990 /nfs/dbraw/zinc/18/49/90/499184990.db2.gz DSDLZPMJRHAVQB-UWJYYQICSA-N 2 1 353.510 3.003 20 10 FGCDMP COc1cc(Br)cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c1O ZINC000377628121 499712807 /nfs/dbraw/zinc/71/28/07/499712807.db2.gz NEMZKLLPRMBOSE-YIONKMFJSA-N 2 1 369.303 3.220 20 10 FGCDMP COc1cc(Br)cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1O ZINC000377628121 499712808 /nfs/dbraw/zinc/71/28/08/499712808.db2.gz NEMZKLLPRMBOSE-YIONKMFJSA-N 2 1 369.303 3.220 20 10 FGCDMP COc1cc(Br)cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1O ZINC000377628121 499712809 /nfs/dbraw/zinc/71/28/09/499712809.db2.gz NEMZKLLPRMBOSE-YIONKMFJSA-N 2 1 369.303 3.220 20 10 FGCDMP Oc1c(Br)cccc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000134038494 704810725 /nfs/dbraw/zinc/81/07/25/704810725.db2.gz WILUKCSXVLVAKW-UHFFFAOYSA-N 2 1 353.304 3.463 20 10 FGCDMP CCN(CC)c1ccc(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cc1F ZINC000762479068 723246865 /nfs/dbraw/zinc/24/68/65/723246865.db2.gz BXTUGCZTVUYWKA-KRWDZBQOSA-N 2 1 351.510 3.262 20 10 FGCDMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)CC1 ZINC000808676028 725213030 /nfs/dbraw/zinc/21/30/30/725213030.db2.gz ARNIPHZHAWNKHT-INIZCTEOSA-N 2 1 353.938 3.422 20 10 FGCDMP Cc1cc(Br)cc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c1O ZINC000809767854 725266584 /nfs/dbraw/zinc/26/65/84/725266584.db2.gz VXVKXVQCUKGNOA-BBRMVZONSA-N 2 1 353.304 3.379 20 10 FGCDMP Cc1cc(Br)cc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)c1O ZINC000809767854 725266585 /nfs/dbraw/zinc/26/65/85/725266585.db2.gz VXVKXVQCUKGNOA-BBRMVZONSA-N 2 1 353.304 3.379 20 10 FGCDMP Cc1cc(Br)cc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)c1O ZINC000809767854 725266586 /nfs/dbraw/zinc/26/65/86/725266586.db2.gz VXVKXVQCUKGNOA-BBRMVZONSA-N 2 1 353.304 3.379 20 10 FGCDMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cc(Cl)ccc3O)C2)[C@@H]1C(C)C ZINC000922393622 758912844 /nfs/dbraw/zinc/91/28/44/758912844.db2.gz QREIZHVBNNQCLQ-YSHGAJCASA-N 2 1 352.906 3.005 20 10 FGCDMP COc1ccc(O)c([C@@H](C)[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)c1 ZINC000185654882 495664787 /nfs/dbraw/zinc/66/47/87/495664787.db2.gz GSMOEYPODWAOSR-CQSZACIVSA-N 2 1 356.470 3.127 20 10 FGCDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CCCCC3)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000377246551 499673682 /nfs/dbraw/zinc/67/36/82/499673682.db2.gz UYBQYJJPJDBMSP-OFNKIYASSA-N 2 1 370.585 3.135 20 10 FGCDMP COc1cc(Br)cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1O ZINC000246479292 713624771 /nfs/dbraw/zinc/62/47/71/713624771.db2.gz OUBCFVIAVJJPRO-SWLSCSKDSA-N 2 1 369.303 3.079 20 10 FGCDMP COc1cc(Br)cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1O ZINC000246479292 713624772 /nfs/dbraw/zinc/62/47/72/713624772.db2.gz OUBCFVIAVJJPRO-SWLSCSKDSA-N 2 1 369.303 3.079 20 10 FGCDMP COc1cc(Br)cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1O ZINC000246479292 713624774 /nfs/dbraw/zinc/62/47/74/713624774.db2.gz OUBCFVIAVJJPRO-SWLSCSKDSA-N 2 1 369.303 3.079 20 10 FGCDMP COc1cc(Br)cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1O ZINC000246479292 713624776 /nfs/dbraw/zinc/62/47/76/713624776.db2.gz OUBCFVIAVJJPRO-SWLSCSKDSA-N 2 1 369.303 3.079 20 10 FGCDMP C[C@@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1cc(F)cc(F)c1O ZINC000756429286 722964498 /nfs/dbraw/zinc/96/44/98/722964498.db2.gz GAOGFMOZKJLWIW-CYBMUJFWSA-N 2 1 350.409 3.462 20 10 FGCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@]4(C)[C@@H](C3)C4(Cl)Cl)cc2)CC1 ZINC000793614152 723455293 /nfs/dbraw/zinc/45/52/93/723455293.db2.gz OIGCZXKZDITAKA-MSOLQXFVSA-N 2 1 368.352 3.454 20 10 FGCDMP Cc1cc(Cl)cc([C@@H](C)[NH2+]CC2CCN(CC[NH+](C)C)CC2)c1O ZINC000808693126 725213631 /nfs/dbraw/zinc/21/36/31/725213631.db2.gz WUCDGQAGRSULBX-OAHLLOKOSA-N 2 1 353.938 3.278 20 10 FGCDMP CC[C@H]([NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@@H]1CCC[NH2+]1 ZINC000817898265 727287091 /nfs/dbraw/zinc/28/70/91/727287091.db2.gz DLEATQBIHXSWJE-JLSDUUJJSA-N 2 1 353.457 3.377 20 10 FGCDMP CC[C@@H]([NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@@H]1CCC[NH2+]1 ZINC000817898267 727287248 /nfs/dbraw/zinc/28/72/48/727287248.db2.gz DLEATQBIHXSWJE-QGTPRVQTSA-N 2 1 353.457 3.377 20 10 FGCDMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3ccc(Br)cc3O)C2)CC1 ZINC000825928543 729399852 /nfs/dbraw/zinc/39/98/52/729399852.db2.gz YMTIMAGTLNELGS-AWEZNQCLSA-N 2 1 353.304 3.318 20 10 FGCDMP Cc1cc(Cl)cc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c1O ZINC000826940892 729419643 /nfs/dbraw/zinc/41/96/43/729419643.db2.gz HCCBJMMWSCSEBO-LJQANCHMSA-N 2 1 360.885 3.210 20 10 FGCDMP COc1cc(O)c(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cc1OC ZINC000160321698 495935024 /nfs/dbraw/zinc/93/50/24/495935024.db2.gz HGMTWHVSALUEGF-SFHVURJKSA-N 2 1 370.493 3.363 20 10 FGCDMP COc1cc(O)c(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1OC ZINC000160321698 495935027 /nfs/dbraw/zinc/93/50/27/495935027.db2.gz HGMTWHVSALUEGF-SFHVURJKSA-N 2 1 370.493 3.363 20 10 FGCDMP COc1cc(O)c(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1OC ZINC000160321698 495935032 /nfs/dbraw/zinc/93/50/32/495935032.db2.gz HGMTWHVSALUEGF-SFHVURJKSA-N 2 1 370.493 3.363 20 10 FGCDMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cc(Cl)ccc1O ZINC000186519987 496028872 /nfs/dbraw/zinc/02/88/72/496028872.db2.gz BWAUEVFOWSDREB-KSSFIOAISA-N 2 1 360.885 3.463 20 10 FGCDMP FC(F)Oc1ccc(N2CCC[C@H]([NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1 ZINC000246092173 497618784 /nfs/dbraw/zinc/61/87/84/497618784.db2.gz CMTJKRFQOAOKOH-BQFCYCMXSA-N 2 1 365.468 3.473 20 10 FGCDMP COc1cc(Cl)cc(C[N@H+](C)C2CC[NH+](C3CCOCC3)CC2)c1O ZINC000359958849 498231381 /nfs/dbraw/zinc/23/13/81/498231381.db2.gz LCISYDLOXMENHZ-UHFFFAOYSA-N 2 1 368.905 3.129 20 10 FGCDMP COc1cc(Cl)cc(C[N@@H+](C)C2CC[NH+](C3CCOCC3)CC2)c1O ZINC000359958849 498231388 /nfs/dbraw/zinc/23/13/88/498231388.db2.gz LCISYDLOXMENHZ-UHFFFAOYSA-N 2 1 368.905 3.129 20 10 FGCDMP C[NH+]1CCC([NH2+]C[C@H]2CCN(c3ccc(OC(F)(F)F)cc3)C2)CC1 ZINC000362866935 713857882 /nfs/dbraw/zinc/85/78/82/713857882.db2.gz WCOXMKTYDIZQJI-CQSZACIVSA-N 2 1 357.420 3.095 20 10 FGCDMP C[C@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1cc(F)cc(F)c1O ZINC000756429290 722964484 /nfs/dbraw/zinc/96/44/84/722964484.db2.gz GAOGFMOZKJLWIW-ZDUSSCGKSA-N 2 1 350.409 3.462 20 10 FGCDMP Cc1ncsc1C[N@H+](Cc1ccc(N(C)C)c(C)c1)C[C@H]1CC[NH2+]C1 ZINC000923338653 759102773 /nfs/dbraw/zinc/10/27/73/759102773.db2.gz DOUSBSLGHYHXFD-SFHVURJKSA-N 2 1 358.555 3.438 20 10 FGCDMP Cc1ncsc1C[N@@H+](Cc1ccc(N(C)C)c(C)c1)C[C@H]1CC[NH2+]C1 ZINC000923338653 759102790 /nfs/dbraw/zinc/10/27/90/759102790.db2.gz DOUSBSLGHYHXFD-SFHVURJKSA-N 2 1 358.555 3.438 20 10 FGCDMP CC[C@@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1ccc(F)cc1O ZINC000290372800 498527311 /nfs/dbraw/zinc/52/73/11/498527311.db2.gz RJHNVDUMYJSXDZ-GOSISDBHSA-N 2 1 361.461 3.498 20 10 FGCDMP COc1ccc(O)c([C@@H](C)[N@H+](C)C2CCN(c3cc(C)[nH+]c(C)n3)CC2)c1 ZINC000367357788 499187753 /nfs/dbraw/zinc/18/77/53/499187753.db2.gz YGBFXSLIFDFXMS-OAHLLOKOSA-N 2 1 370.497 3.469 20 10 FGCDMP COc1ccc(O)c([C@@H](C)[N@@H+](C)C2CCN(c3cc(C)[nH+]c(C)n3)CC2)c1 ZINC000367357788 499187755 /nfs/dbraw/zinc/18/77/55/499187755.db2.gz YGBFXSLIFDFXMS-OAHLLOKOSA-N 2 1 370.497 3.469 20 10 FGCDMP C[N@@H+](Cc1c(O)ccc2ccccc21)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000368052720 499260066 /nfs/dbraw/zinc/26/00/66/499260066.db2.gz YBQZQQUNBATFBB-IBGZPJMESA-N 2 1 353.510 3.146 20 10 FGCDMP C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccc(N2CCOCC2)cc1Cl ZINC000132118240 700824049 /nfs/dbraw/zinc/82/40/49/700824049.db2.gz BJRPXKIZDBHWKL-OAHLLOKOSA-N 2 1 353.938 3.415 20 10 FGCDMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cc(OC)ccc2O)[C@H](C)C1 ZINC000248493078 713651885 /nfs/dbraw/zinc/65/18/85/713651885.db2.gz JUDBJQKFGAVJOQ-MDZRGWNJSA-N 2 1 350.503 3.188 20 10 FGCDMP [NH3+]C1(C[NH2+]Cc2ccc(N3CCCCC3)c(Br)c2)CCC1 ZINC000841048888 730206348 /nfs/dbraw/zinc/20/63/48/730206348.db2.gz MJNNHMKQKUEEIA-UHFFFAOYSA-N 2 1 352.320 3.410 20 10 FGCDMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc(F)cc1O ZINC000186519669 496029150 /nfs/dbraw/zinc/02/91/50/496029150.db2.gz UMGGQIRQSPQXPM-HNAYVOBHSA-N 2 1 358.457 3.339 20 10 FGCDMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc(F)cc1O ZINC000186519669 496029154 /nfs/dbraw/zinc/02/91/54/496029154.db2.gz UMGGQIRQSPQXPM-HNAYVOBHSA-N 2 1 358.457 3.339 20 10 FGCDMP CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1O ZINC000852754542 731630820 /nfs/dbraw/zinc/63/08/20/731630820.db2.gz UOFYABJOPBBZEF-OAHLLOKOSA-N 2 1 350.890 3.460 20 10 FGCDMP CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1O ZINC000852754542 731630821 /nfs/dbraw/zinc/63/08/21/731630821.db2.gz UOFYABJOPBBZEF-OAHLLOKOSA-N 2 1 350.890 3.460 20 10 FGCDMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cc(Cl)ccc3O)C2)[C@H]1C(C)C ZINC000922393221 758912563 /nfs/dbraw/zinc/91/25/63/758912563.db2.gz QREIZHVBNNQCLQ-OWYHZJEWSA-N 2 1 352.906 3.005 20 10 FGCDMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(N2CCOCC2)cc1Cl ZINC000765038636 723472362 /nfs/dbraw/zinc/47/23/62/723472362.db2.gz NIARKOIYDLKYKV-BBWFWOEESA-N 2 1 363.933 3.454 20 10 FGCDMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(N2CCOCC2)cc1Cl ZINC000765038636 723472363 /nfs/dbraw/zinc/47/23/63/723472363.db2.gz NIARKOIYDLKYKV-BBWFWOEESA-N 2 1 363.933 3.454 20 10 FGCDMP Cc1cc(Cl)cc([C@@H](C)[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c1O ZINC000817982600 727290240 /nfs/dbraw/zinc/29/02/40/727290240.db2.gz GSOQVGDEYQEANY-ODIFPOPNSA-N 2 1 351.922 3.221 20 10 FGCDMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc(Br)cc(OC)c2O)C1 ZINC000848521960 731174799 /nfs/dbraw/zinc/17/47/99/731174799.db2.gz SHDHSPSULRFIQS-NWDGAFQWSA-N 2 1 357.292 3.156 20 10 FGCDMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1cc(F)ccc1O ZINC000186519896 496029482 /nfs/dbraw/zinc/02/94/82/496029482.db2.gz ZWSFAFMCXBRMCO-HNAYVOBHSA-N 2 1 358.457 3.339 20 10 FGCDMP C[C@@H]1C[C@@H]([NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)CC[N@@H+]1C ZINC000157714366 496536713 /nfs/dbraw/zinc/53/67/13/496536713.db2.gz RMQAOLFNRMGNIL-ZBFHGGJFSA-N 2 1 353.457 3.329 20 10 FGCDMP C[C@@H]1C[C@@H]([NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)CC[N@H+]1C ZINC000157714366 496536719 /nfs/dbraw/zinc/53/67/19/496536719.db2.gz RMQAOLFNRMGNIL-ZBFHGGJFSA-N 2 1 353.457 3.329 20 10 FGCDMP COc1ccc(O)c([C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCOCC2)c1 ZINC000184894218 496574161 /nfs/dbraw/zinc/57/41/61/496574161.db2.gz OVUHMMBWZYZGIC-INIZCTEOSA-N 2 1 356.466 3.084 20 10 FGCDMP COc1cc(O)c(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1OC ZINC000192921209 497247798 /nfs/dbraw/zinc/24/77/98/497247798.db2.gz WYSRRPHPKZZPFE-QGZVFWFLSA-N 2 1 356.466 3.021 20 10 FGCDMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C)c1ccc(F)c(F)c1[O-] ZINC000372617034 499154594 /nfs/dbraw/zinc/15/45/94/499154594.db2.gz HIEMQPFARZROAY-UMPJEAMMSA-N 2 1 354.441 3.210 20 10 FGCDMP COc1cc(O)c(C[N@H+]2CCC[C@H]2Cn2ccnc2C(C)C)cc1OC ZINC000367221322 499163647 /nfs/dbraw/zinc/16/36/47/499163647.db2.gz IGRFZGCLXKCFQL-INIZCTEOSA-N 2 1 359.470 3.394 20 10 FGCDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(Br)cc(OC)c2O)[C@H](C)C1 ZINC000093638773 700452505 /nfs/dbraw/zinc/45/25/05/700452505.db2.gz IXYSJNNVWXBTBI-IUODEOHRSA-N 2 1 371.319 3.325 20 10 FGCDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(Br)cc(OC)c2O)[C@H](C)C1 ZINC000093638773 700452508 /nfs/dbraw/zinc/45/25/08/700452508.db2.gz IXYSJNNVWXBTBI-IUODEOHRSA-N 2 1 371.319 3.325 20 10 FGCDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(Br)cc(OC)c2O)[C@H](C)C1 ZINC000093638773 700452511 /nfs/dbraw/zinc/45/25/11/700452511.db2.gz IXYSJNNVWXBTBI-IUODEOHRSA-N 2 1 371.319 3.325 20 10 FGCDMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3cc(Cl)cc(C)c3O)CC2)CC1 ZINC000817413987 727248928 /nfs/dbraw/zinc/24/89/28/727248928.db2.gz OXZHLPDTKKSHBC-UHFFFAOYSA-N 2 1 365.949 3.346 20 10 FGCDMP Cc1cc(O)c(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc1Cl ZINC000825927924 729399768 /nfs/dbraw/zinc/39/97/68/729399768.db2.gz KOCAYDCPBPVMOE-JWTNVVGKSA-N 2 1 363.933 3.097 20 10 FGCDMP Cc1cc(O)c(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc1Cl ZINC000825927924 729399770 /nfs/dbraw/zinc/39/97/70/729399770.db2.gz KOCAYDCPBPVMOE-JWTNVVGKSA-N 2 1 363.933 3.097 20 10 FGCDMP Cc1cc(O)c(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c(Cl)c1 ZINC000840947888 730195503 /nfs/dbraw/zinc/19/55/03/730195503.db2.gz BNIWYGUMDSNHHB-SJPCQFCGSA-N 2 1 363.933 3.097 20 10 FGCDMP Cc1cc(O)c(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c(Cl)c1 ZINC000840947888 730195506 /nfs/dbraw/zinc/19/55/06/730195506.db2.gz BNIWYGUMDSNHHB-SJPCQFCGSA-N 2 1 363.933 3.097 20 10 FGCDMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cc(Cl)ccc1O ZINC000850506874 731366529 /nfs/dbraw/zinc/36/65/29/731366529.db2.gz CJRHDBIKYFNIDE-RDTXWAMCSA-N 2 1 360.885 3.463 20 10 FGCDMP COc1c(O)c(C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000278475935 497128156 /nfs/dbraw/zinc/12/81/56/497128156.db2.gz ILYUSQKICNGRMP-DZGCQCFKSA-N 2 1 363.458 3.052 20 10 FGCDMP COc1c(O)c(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000278475935 497128160 /nfs/dbraw/zinc/12/81/60/497128160.db2.gz ILYUSQKICNGRMP-DZGCQCFKSA-N 2 1 363.458 3.052 20 10 FGCDMP COc1cc(O)c(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1OC ZINC000367933012 499247154 /nfs/dbraw/zinc/24/71/54/499247154.db2.gz VSDCDSWZTIUKGV-AEFFLSMTSA-N 2 1 370.493 3.410 20 10 FGCDMP CCOc1cccc(C[N@@H+](C)C2CCN(Cc3ccncc3)CC2)c1O ZINC000377926067 499748739 /nfs/dbraw/zinc/74/87/39/499748739.db2.gz WBIFHPPHMZONRY-UHFFFAOYSA-N 2 1 355.482 3.282 20 10 FGCDMP Cc1cc(Br)c(O)c(C[NH+]2CCC(OCC[NH+](C)C)CC2)c1 ZINC000781912856 724611851 /nfs/dbraw/zinc/61/18/51/724611851.db2.gz QZZAMNPYLYCBGL-UHFFFAOYSA-N 2 1 371.319 3.006 20 10 FGCDMP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000752110409 722845439 /nfs/dbraw/zinc/84/54/39/722845439.db2.gz FEMPSOIMGSQJMU-NRFANRHFSA-N 2 1 350.547 3.389 20 10 FGCDMP C[NH2+]CCC[N@H+](C)Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000841104905 730212018 /nfs/dbraw/zinc/21/20/18/730212018.db2.gz WLIZVEAQBBMXQB-UHFFFAOYSA-N 2 1 354.336 3.481 20 10 FGCDMP C[NH2+]CCC[N@@H+](C)Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000841104905 730212019 /nfs/dbraw/zinc/21/20/19/730212019.db2.gz WLIZVEAQBBMXQB-UHFFFAOYSA-N 2 1 354.336 3.481 20 10 FGCDMP COc1cc(Br)cc([C@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)c1O ZINC000848522968 731174842 /nfs/dbraw/zinc/17/48/42/731174842.db2.gz ZUKSQCJDGAAJCC-NSHDSACASA-N 2 1 369.303 3.441 20 10 FGCDMP CC[C@@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1ccc(F)cc1O ZINC000850481707 731361345 /nfs/dbraw/zinc/36/13/45/731361345.db2.gz AUYWGGFNYKTNAS-LJQANCHMSA-N 2 1 350.478 3.463 20 10 FGCDMP C[NH+]1CCN(c2ccc(C[NH2+]Cc3nsc4ccccc43)cc2)CC1 ZINC000883410170 737564158 /nfs/dbraw/zinc/56/41/58/737564158.db2.gz PYSGHBXAZMQAQW-UHFFFAOYSA-N 2 1 352.507 3.338 20 10 FGCDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000121522951 494790323 /nfs/dbraw/zinc/79/03/23/494790323.db2.gz LDTMEUYQKHBPAX-HZPDHXFCSA-N 2 1 360.477 3.154 20 10 FGCDMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccc(F)cc1O ZINC000185372175 495552758 /nfs/dbraw/zinc/55/27/58/495552758.db2.gz GAJAMBZBXBBFAK-OAHLLOKOSA-N 2 1 358.457 3.339 20 10 FGCDMP COc1cc(O)c(C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)cc1OC ZINC000160525760 495983648 /nfs/dbraw/zinc/98/36/48/495983648.db2.gz CVNVXHBDHXIVNX-UHFFFAOYSA-N 2 1 371.481 3.153 20 10 FGCDMP Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)c1 ZINC000185084743 496652862 /nfs/dbraw/zinc/65/28/62/496652862.db2.gz MTSIKNZSQBSSSE-GOSISDBHSA-N 2 1 353.510 3.299 20 10 FGCDMP FC(F)Oc1ccc(N2CCC[C@@H]([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000166729825 496692820 /nfs/dbraw/zinc/69/28/20/496692820.db2.gz CMTJKRFQOAOKOH-JFIYKMOQSA-N 2 1 365.468 3.473 20 10 FGCDMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(N(C)C)cc1 ZINC000182265020 496723593 /nfs/dbraw/zinc/72/35/93/496723593.db2.gz DOQYTOJFLXVDSR-VGSWGCGISA-N 2 1 353.510 3.170 20 10 FGCDMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(N2CCCCC2)cc1 ZINC000371470999 499331535 /nfs/dbraw/zinc/33/15/35/499331535.db2.gz QCJNTCUAOUQWOW-FSSWDIPSSA-N 2 1 357.542 3.360 20 10 FGCDMP C[N@H+]1CC[C@H](C[NH2+]Cc2ccc(N3CCOCC3)cc2)[C@H]1c1ccccc1 ZINC000377760650 499730250 /nfs/dbraw/zinc/73/02/50/499730250.db2.gz JXYORVYAJSTJOG-FYYLOGMGSA-N 2 1 365.521 3.306 20 10 FGCDMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cc(OC)ccc2O)[C@@H](C)C1 ZINC000248493076 713651791 /nfs/dbraw/zinc/65/17/91/713651791.db2.gz JUDBJQKFGAVJOQ-BXWFABGCSA-N 2 1 350.503 3.188 20 10 FGCDMP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2Cl)C1 ZINC000765073477 723475957 /nfs/dbraw/zinc/47/59/57/723475957.db2.gz KFWLFGHUOLPYLO-HZPDHXFCSA-N 2 1 351.922 3.169 20 10 FGCDMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2Cl)C1 ZINC000765073477 723475969 /nfs/dbraw/zinc/47/59/69/723475969.db2.gz KFWLFGHUOLPYLO-HZPDHXFCSA-N 2 1 351.922 3.169 20 10 FGCDMP COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1O ZINC000848518239 731174311 /nfs/dbraw/zinc/17/43/11/731174311.db2.gz JJFSZBHPWNGKMK-NEPJUHHUSA-N 2 1 369.303 3.298 20 10 FGCDMP COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1O ZINC000848519350 731174315 /nfs/dbraw/zinc/17/43/15/731174315.db2.gz RKMXCCCYIPXADO-IACUBPJLSA-N 2 1 369.303 3.441 20 10 FGCDMP Cc1cc(Br)cc(C[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)c1O ZINC000763663086 723358860 /nfs/dbraw/zinc/35/88/60/723358860.db2.gz UTZROMOTODIUOE-AWEZNQCLSA-N 2 1 371.319 3.054 20 10 FGCDMP Cc1cc(Br)cc(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)c1O ZINC000763663086 723358861 /nfs/dbraw/zinc/35/88/61/723358861.db2.gz UTZROMOTODIUOE-AWEZNQCLSA-N 2 1 371.319 3.054 20 10 FGCDMP CC[C@@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1ccccc1O ZINC000775482803 723994719 /nfs/dbraw/zinc/99/47/19/723994719.db2.gz BKJMLIKAWMWMDI-QZTJIDSGSA-N 2 1 359.539 3.483 20 10 FGCDMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc(Cl)cc1O ZINC000841754429 730270962 /nfs/dbraw/zinc/27/09/62/730270962.db2.gz RMXFVXYJRIIPSR-KBXCAEBGSA-N 2 1 360.885 3.463 20 10 FGCDMP Cc1cc(Br)c(O)c(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000843126603 730589075 /nfs/dbraw/zinc/58/90/75/730589075.db2.gz LOVHIKQEVQEBFZ-CQSZACIVSA-N 2 1 353.304 3.285 20 10 FGCDMP COc1cc(Br)cc(C[N@@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])c1O ZINC000844902264 730787040 /nfs/dbraw/zinc/78/70/40/730787040.db2.gz OHTKCDRZCLDSTJ-BXUZGUMPSA-N 2 1 357.292 3.113 20 10 FGCDMP COc1cc(Br)cc(C[N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])c1O ZINC000844902264 730787042 /nfs/dbraw/zinc/78/70/42/730787042.db2.gz OHTKCDRZCLDSTJ-BXUZGUMPSA-N 2 1 357.292 3.113 20 10 FGCDMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2cccc(Br)c2[O-])C1 ZINC000844911114 730788461 /nfs/dbraw/zinc/78/84/61/730788461.db2.gz KPJGNVYGDJGAHS-BMFZPTHFSA-N 2 1 369.303 3.016 20 10 FGCDMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2cccc(Br)c2O)C1 ZINC000844911114 730788462 /nfs/dbraw/zinc/78/84/62/730788462.db2.gz KPJGNVYGDJGAHS-BMFZPTHFSA-N 2 1 369.303 3.016 20 10 FGCDMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2cccc(Br)c2O)C1 ZINC000844911114 730788463 /nfs/dbraw/zinc/78/84/63/730788463.db2.gz KPJGNVYGDJGAHS-BMFZPTHFSA-N 2 1 369.303 3.016 20 10 FGCDMP COc1cc(Br)cc(C[NH2+]CCC[N@@H+](C)CC(C)C)c1O ZINC000845997344 730916993 /nfs/dbraw/zinc/91/69/93/730916993.db2.gz WYXRHUYBKCJRPP-UHFFFAOYSA-N 2 1 359.308 3.231 20 10 FGCDMP COc1cc(Br)cc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1O ZINC000848519354 731174299 /nfs/dbraw/zinc/17/42/99/731174299.db2.gz RKMXCCCYIPXADO-UBHSHLNASA-N 2 1 369.303 3.441 20 10 FGCDMP Oc1ccc(Cl)c(F)c1C[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000850357650 731348229 /nfs/dbraw/zinc/34/82/29/731348229.db2.gz QMPUSOMFTPLECA-OAHLLOKOSA-N 2 1 364.848 3.041 20 10 FGCDMP Oc1ccc(Cl)c(F)c1C[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000850357650 731348230 /nfs/dbraw/zinc/34/82/30/731348230.db2.gz QMPUSOMFTPLECA-OAHLLOKOSA-N 2 1 364.848 3.041 20 10 FGCDMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296310224 497993513 /nfs/dbraw/zinc/99/35/13/497993513.db2.gz FCXLJHPRHLAPLB-WOJBJXKFSA-N 2 1 352.478 3.126 20 10 FGCDMP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccc(F)cc1O ZINC000285992333 498261566 /nfs/dbraw/zinc/26/15/66/498261566.db2.gz HBVOAYVHHUOFPE-GBESFXJTSA-N 2 1 350.478 3.340 20 10 FGCDMP COc1cc(O)c(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1OC ZINC000367933015 499247324 /nfs/dbraw/zinc/24/73/24/499247324.db2.gz VSDCDSWZTIUKGV-WMZOPIPTSA-N 2 1 370.493 3.410 20 10 FGCDMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(N2CCOCC2)cc1Cl ZINC000765038638 723472275 /nfs/dbraw/zinc/47/22/75/723472275.db2.gz NIARKOIYDLKYKV-ULQDDVLXSA-N 2 1 363.933 3.454 20 10 FGCDMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(N2CCOCC2)cc1Cl ZINC000765038638 723472280 /nfs/dbraw/zinc/47/22/80/723472280.db2.gz NIARKOIYDLKYKV-ULQDDVLXSA-N 2 1 363.933 3.454 20 10 FGCDMP COc1cc(Br)cc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)c1O ZINC000809767804 725266733 /nfs/dbraw/zinc/26/67/33/725266733.db2.gz UOESEPKYJPPDGZ-SWLSCSKDSA-N 2 1 369.303 3.079 20 10 FGCDMP COc1cc(Br)cc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)c1O ZINC000809767804 725266734 /nfs/dbraw/zinc/26/67/34/725266734.db2.gz UOESEPKYJPPDGZ-SWLSCSKDSA-N 2 1 369.303 3.079 20 10 FGCDMP COc1cc(Br)cc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)c1O ZINC000809767804 725266735 /nfs/dbraw/zinc/26/67/35/725266735.db2.gz UOESEPKYJPPDGZ-SWLSCSKDSA-N 2 1 369.303 3.079 20 10 FGCDMP COc1cc(Br)cc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c1O ZINC000809767804 725266737 /nfs/dbraw/zinc/26/67/37/725266737.db2.gz UOESEPKYJPPDGZ-SWLSCSKDSA-N 2 1 369.303 3.079 20 10 FGCDMP C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H]1CCCC[NH2+]1 ZINC000817899389 727287376 /nfs/dbraw/zinc/28/73/76/727287376.db2.gz LMLVUBMZWHOHQS-IIDMSEBBSA-N 2 1 353.457 3.377 20 10 FGCDMP Cc1cc(O)c(C[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1Cl ZINC000826943132 729419542 /nfs/dbraw/zinc/41/95/42/729419542.db2.gz VCBRTCNLOCLGCM-SFHVURJKSA-N 2 1 360.885 3.210 20 10 FGCDMP COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c1O ZINC000848527934 731175674 /nfs/dbraw/zinc/17/56/74/731175674.db2.gz AHZMIOYXWLPRLN-GMXVVIOVSA-N 2 1 357.292 3.297 20 10 FGCDMP COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1O ZINC000848527934 731175676 /nfs/dbraw/zinc/17/56/76/731175676.db2.gz AHZMIOYXWLPRLN-GMXVVIOVSA-N 2 1 357.292 3.297 20 10 FGCDMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cc(Br)ccc1O ZINC000185414174 495568396 /nfs/dbraw/zinc/56/83/96/495568396.db2.gz OAGJBPUILUOJNE-UKRRQHHQSA-N 2 1 371.319 3.042 20 10 FGCDMP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccc(N(C)C)cc1 ZINC000160442912 495964462 /nfs/dbraw/zinc/96/44/62/495964462.db2.gz CSSKLRBHTCBLBI-GOSISDBHSA-N 2 1 353.510 3.436 20 10 FGCDMP CC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc(F)cc1[O-] ZINC000286230312 498332169 /nfs/dbraw/zinc/33/21/69/498332169.db2.gz STXSGDXCRZXKIR-QUCCMNQESA-N 2 1 358.457 3.339 20 10 FGCDMP CC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc(F)cc1O ZINC000286230312 498332181 /nfs/dbraw/zinc/33/21/81/498332181.db2.gz STXSGDXCRZXKIR-QUCCMNQESA-N 2 1 358.457 3.339 20 10 FGCDMP COc1cc(Br)cc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1O ZINC000769188794 723679084 /nfs/dbraw/zinc/67/90/84/723679084.db2.gz ILISLDULIWRHNZ-UHFFFAOYSA-N 2 1 366.259 3.266 20 10 FGCDMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2cc(Br)ccc2O)C1 ZINC000844912717 730788711 /nfs/dbraw/zinc/78/87/11/730788711.db2.gz WKAPIZUXVRRPPF-BFYDXBDKSA-N 2 1 369.303 3.016 20 10 FGCDMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cc(Br)cc(OC)c2O)C1 ZINC000848521966 731174869 /nfs/dbraw/zinc/17/48/69/731174869.db2.gz SHDHSPSULRFIQS-VXGBXAGGSA-N 2 1 357.292 3.156 20 10 FGCDMP C[N@H+]1CC[C@@H]([NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CC1(C)C ZINC000858137227 732184626 /nfs/dbraw/zinc/18/46/26/732184626.db2.gz KBHUYCIHMSQWDD-MSOLQXFVSA-N 2 1 365.949 3.472 20 10 FGCDMP COc1ccc(C[N@@H+](CC(C)C)CC2CC[NH+](C)CC2)c(O)c1OC ZINC000895861805 742463704 /nfs/dbraw/zinc/46/37/04/742463704.db2.gz SUXKYPJFUOGBHL-UHFFFAOYSA-N 2 1 350.503 3.209 20 10 FGCDMP CCC1([NH3+])CC[NH+]([C@H](C)c2ccc(N3CCOCC3)cc2Cl)CC1 ZINC000925756674 759533034 /nfs/dbraw/zinc/53/30/34/759533034.db2.gz ONLMGIKWXOSHKH-OAHLLOKOSA-N 2 1 351.922 3.441 20 10 FGCDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000121522621 494790681 /nfs/dbraw/zinc/79/06/81/494790681.db2.gz LDTMEUYQKHBPAX-CVEARBPZSA-N 2 1 360.477 3.154 20 10 FGCDMP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)c1 ZINC000278922976 497268500 /nfs/dbraw/zinc/26/85/00/497268500.db2.gz VCCXOEMRKLJECN-UHFFFAOYSA-N 2 1 373.453 3.441 20 10 FGCDMP FC(F)Oc1ccc(N2CCC[C@H]([NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000246092184 497618024 /nfs/dbraw/zinc/61/80/24/497618024.db2.gz CMTJKRFQOAOKOH-XYJFISCASA-N 2 1 365.468 3.473 20 10 FGCDMP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(F)cc1O ZINC000285992345 498261073 /nfs/dbraw/zinc/26/10/73/498261073.db2.gz HBVOAYVHHUOFPE-OTWHNJEPSA-N 2 1 350.478 3.340 20 10 FGCDMP C[C@H]1CN(c2ccc(C[NH2+]C3CC[NH+](C4CC4)CC3)cc2F)C[C@H](C)O1 ZINC000298549944 498810878 /nfs/dbraw/zinc/81/08/78/498810878.db2.gz UOKQMAMIRDAJQA-HOTGVXAUSA-N 2 1 361.505 3.156 20 10 FGCDMP COc1cc(Br)cc(C[N@H+]2CCCC23CC[NH+](C)CC3)c1O ZINC000368948522 499349598 /nfs/dbraw/zinc/34/95/98/499349598.db2.gz CSGGRVZFWLKZOG-UHFFFAOYSA-N 2 1 369.303 3.224 20 10 FGCDMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cc(OC)ccc2O)[C@H](C)C1 ZINC000185461216 712694750 /nfs/dbraw/zinc/69/47/50/712694750.db2.gz JUDBJQKFGAVJOQ-GJYPPUQNSA-N 2 1 350.503 3.188 20 10 FGCDMP COc1c(O)c(C[NH2+]CCCCC[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000775031948 723954481 /nfs/dbraw/zinc/95/44/81/723954481.db2.gz WCIFIKPWMPGMPX-UHFFFAOYSA-N 2 1 351.447 3.055 20 10 FGCDMP Cc1cc(Cl)cc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1O ZINC000809751000 725264891 /nfs/dbraw/zinc/26/48/91/725264891.db2.gz MQMVCKSYUMMFNF-DFNIBXOVSA-N 2 1 363.933 3.097 20 10 FGCDMP Cc1cc(Cl)cc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1O ZINC000809751000 725264893 /nfs/dbraw/zinc/26/48/93/725264893.db2.gz MQMVCKSYUMMFNF-DFNIBXOVSA-N 2 1 363.933 3.097 20 10 FGCDMP COc1cc(Br)cc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)c1O ZINC000809767803 725266747 /nfs/dbraw/zinc/26/67/47/725266747.db2.gz UOESEPKYJPPDGZ-IUODEOHRSA-N 2 1 369.303 3.079 20 10 FGCDMP COc1cc(Br)cc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)c1O ZINC000809767803 725266749 /nfs/dbraw/zinc/26/67/49/725266749.db2.gz UOESEPKYJPPDGZ-IUODEOHRSA-N 2 1 369.303 3.079 20 10 FGCDMP COc1cc(Br)cc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c1O ZINC000809767803 725266752 /nfs/dbraw/zinc/26/67/52/725266752.db2.gz UOESEPKYJPPDGZ-IUODEOHRSA-N 2 1 369.303 3.079 20 10 FGCDMP COc1cc(Br)cc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c1O ZINC000809767803 725266754 /nfs/dbraw/zinc/26/67/54/725266754.db2.gz UOESEPKYJPPDGZ-IUODEOHRSA-N 2 1 369.303 3.079 20 10 FGCDMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cccc(OC)c2O)[C@H](C)C1 ZINC000846145882 730932015 /nfs/dbraw/zinc/93/20/15/730932015.db2.gz PLRBRXBNBISLHM-NUJGCVRESA-N 2 1 350.503 3.188 20 10 FGCDMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cccc(OC)c2O)[C@@H](C)C1 ZINC000846145872 730932034 /nfs/dbraw/zinc/93/20/34/730932034.db2.gz PLRBRXBNBISLHM-BQFCYCMXSA-N 2 1 350.503 3.188 20 10 FGCDMP Oc1ccccc1C[N@H+](Cc1cc2c(s1)CC[NH2+]C2)C[C@@H]1CCCO1 ZINC000873210113 735738363 /nfs/dbraw/zinc/73/83/63/735738363.db2.gz VXKOQBOUGURKCR-KRWDZBQOSA-N 2 1 358.507 3.281 20 10 FGCDMP C[NH+](C)CCCOc1ccc(C[NH2+]Cc2cc(F)cc(F)c2O)cc1 ZINC000882971386 737508119 /nfs/dbraw/zinc/50/81/19/737508119.db2.gz IAIIKOMFZONKHJ-UHFFFAOYSA-N 2 1 350.409 3.291 20 10 FGCDMP C[C@@H]1C[C@H]([NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)CC[N@@H+]1C ZINC000157714068 496536390 /nfs/dbraw/zinc/53/63/90/496536390.db2.gz RMQAOLFNRMGNIL-GDBMZVCRSA-N 2 1 353.457 3.329 20 10 FGCDMP C[C@@H]1C[C@H]([NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)CC[N@H+]1C ZINC000157714068 496536395 /nfs/dbraw/zinc/53/63/95/496536395.db2.gz RMQAOLFNRMGNIL-GDBMZVCRSA-N 2 1 353.457 3.329 20 10 FGCDMP COc1c(O)c(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)ccc1[N+](=O)[O-] ZINC000278929750 497270587 /nfs/dbraw/zinc/27/05/87/497270587.db2.gz VXQVDVLTSTZWES-UHFFFAOYSA-N 2 1 371.437 3.195 20 10 FGCDMP COC1CCN(c2ccc(C[N@H+]3CC[C@@H](C[NH+]4CCCC4)C3)cc2)CC1 ZINC000295027728 498884928 /nfs/dbraw/zinc/88/49/28/498884928.db2.gz MRERRWGJEISJNK-FQEVSTJZSA-N 2 1 357.542 3.220 20 10 FGCDMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cc(Br)cc(OC)c1O ZINC000809749831 725264782 /nfs/dbraw/zinc/26/47/82/725264782.db2.gz KWFHWKACHJZFQG-UHFFFAOYSA-N 2 1 371.319 3.471 20 10 FGCDMP Cc1cc(O)c(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)c(Cl)c1 ZINC000840936871 730193886 /nfs/dbraw/zinc/19/38/86/730193886.db2.gz NISZIRFSQZQVOW-QGZVFWFLSA-N 2 1 360.885 3.210 20 10 FGCDMP Oc1ccc(Br)cc1C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000849350145 731251390 /nfs/dbraw/zinc/25/13/90/731251390.db2.gz LEQAKNMGHDZGQQ-AWEZNQCLSA-N 2 1 353.304 3.366 20 10 FGCDMP Oc1c(Br)cccc1C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000849350838 731251474 /nfs/dbraw/zinc/25/14/74/731251474.db2.gz YNHOGRQKONFKHB-AWEZNQCLSA-N 2 1 353.304 3.366 20 10 FGCDMP Oc1c(Br)cccc1C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000849350838 731251476 /nfs/dbraw/zinc/25/14/76/731251476.db2.gz YNHOGRQKONFKHB-AWEZNQCLSA-N 2 1 353.304 3.366 20 10 FGCDMP Oc1ccc(Cl)c(F)c1C[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000850357649 731348202 /nfs/dbraw/zinc/34/82/02/731348202.db2.gz QMPUSOMFTPLECA-HNNXBMFYSA-N 2 1 364.848 3.041 20 10 FGCDMP Oc1ccc(Cl)c(F)c1C[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000850357649 731348203 /nfs/dbraw/zinc/34/82/03/731348203.db2.gz QMPUSOMFTPLECA-HNNXBMFYSA-N 2 1 364.848 3.041 20 10 FGCDMP Oc1ccccc1C[N@H+](Cc1cc2c(s1)CC[NH2+]C2)C[C@H]1CCCO1 ZINC000873210119 735738370 /nfs/dbraw/zinc/73/83/70/735738370.db2.gz VXKOQBOUGURKCR-QGZVFWFLSA-N 2 1 358.507 3.281 20 10 FGCDMP C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000268866589 496809770 /nfs/dbraw/zinc/80/97/70/496809770.db2.gz CNYMURHXDDFIBG-INIZCTEOSA-N 2 1 361.505 3.330 20 10 FGCDMP COC1CCN(c2ccc(C[N@H+]3CC[C@H](C[NH+]4CCCC4)C3)cc2)CC1 ZINC000295027733 498884656 /nfs/dbraw/zinc/88/46/56/498884656.db2.gz MRERRWGJEISJNK-HXUWFJFHSA-N 2 1 357.542 3.220 20 10 FGCDMP C[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000373521422 499474713 /nfs/dbraw/zinc/47/47/13/499474713.db2.gz KPDHDGARKGVAEL-IVMQYODDSA-N 2 1 361.505 3.330 20 10 FGCDMP Cc1cc(Cl)cc([C@H](C)[NH2+]CC2CCN(CC[NH+](C)C)CC2)c1O ZINC000808693125 725213592 /nfs/dbraw/zinc/21/35/92/725213592.db2.gz WUCDGQAGRSULBX-HNNXBMFYSA-N 2 1 353.938 3.278 20 10 FGCDMP CC[NH+](CC)CCC[N@H+](CC)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000809749051 725264706 /nfs/dbraw/zinc/26/47/06/725264706.db2.gz IVQQMLXNRHIYMS-UHFFFAOYSA-N 2 1 351.510 3.216 20 10 FGCDMP CC[NH+](CC)CCC[N@@H+](CC)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000809749051 725264709 /nfs/dbraw/zinc/26/47/09/725264709.db2.gz IVQQMLXNRHIYMS-UHFFFAOYSA-N 2 1 351.510 3.216 20 10 FGCDMP C[C@@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c1cccc(C(F)(F)F)c1O ZINC000850502747 731366033 /nfs/dbraw/zinc/36/60/33/731366033.db2.gz YPEZRDPSNRILJH-UONOGXRCSA-N 2 1 361.452 3.334 20 10 FGCDMP Cc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)c1 ZINC000185084758 496653420 /nfs/dbraw/zinc/65/34/20/496653420.db2.gz MTSIKNZSQBSSSE-SFHVURJKSA-N 2 1 353.510 3.299 20 10 FGCDMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+]Cc3ccc(N4CCOCC4)cc3)C2)cc1 ZINC000192932092 497251082 /nfs/dbraw/zinc/25/10/82/497251082.db2.gz JXKKMXXNVQEHRL-JOCHJYFZSA-N 2 1 365.521 3.135 20 10 FGCDMP CCc1cc(NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)nc(C)[nH+]1 ZINC000302117942 498410510 /nfs/dbraw/zinc/41/05/10/498410510.db2.gz WXXZTIHNNGOGFZ-UHFFFAOYSA-N 2 1 365.525 3.492 20 10 FGCDMP C[C@H]1C[N@@H+](Cc2ccc(N3CCCCC3)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000377246552 499673621 /nfs/dbraw/zinc/67/36/21/499673621.db2.gz UYBQYJJPJDBMSP-REWPJTCUSA-N 2 1 370.585 3.135 20 10 FGCDMP C[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(N3CCOCC3)cc2)[C@@H]1c1ccccc1 ZINC000377760653 499730089 /nfs/dbraw/zinc/73/00/89/499730089.db2.gz JXYORVYAJSTJOG-GMAHTHKFSA-N 2 1 365.521 3.306 20 10 FGCDMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000153733286 705010187 /nfs/dbraw/zinc/01/01/87/705010187.db2.gz PHOPYCZWIQFQKO-KRWDZBQOSA-N 2 1 351.510 3.435 20 10 FGCDMP C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000764667302 723435930 /nfs/dbraw/zinc/43/59/30/723435930.db2.gz QTBCZTXKGKOFMB-MRXNPFEDSA-N 2 1 351.922 3.313 20 10 FGCDMP Cc1cc(Br)c(O)c(C[NH2+]CC2CC[NH+](C3CC3)CC2)c1 ZINC000775022860 723953041 /nfs/dbraw/zinc/95/30/41/723953041.db2.gz HHLBLCZGTIPEBW-UHFFFAOYSA-N 2 1 353.304 3.427 20 10 FGCDMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000799726607 724088469 /nfs/dbraw/zinc/08/84/69/724088469.db2.gz QOOAVPMMVPXZKO-LBPRGKRZSA-N 2 1 360.329 3.376 20 10 FGCDMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cc(Cl)c(Cl)cc1O ZINC000799726607 724088480 /nfs/dbraw/zinc/08/84/80/724088480.db2.gz QOOAVPMMVPXZKO-LBPRGKRZSA-N 2 1 360.329 3.376 20 10 FGCDMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1ccc(N2CCOCC2)cc1Cl ZINC000817947417 727289288 /nfs/dbraw/zinc/28/92/88/727289288.db2.gz NEQGMYZCVAUYET-HRCADAONSA-N 2 1 351.922 3.215 20 10 FGCDMP [NH3+]C[C@H]([NH2+]Cc1ccc(N2CCCCC2)c(Br)c1)C1CC1 ZINC000841029579 730204755 /nfs/dbraw/zinc/20/47/55/730204755.db2.gz WMNSYZQBNJJPSK-INIZCTEOSA-N 2 1 352.320 3.266 20 10 FGCDMP Cc1cc(Br)c(O)c(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000843046391 730573752 /nfs/dbraw/zinc/57/37/52/730573752.db2.gz TZMMXGXEWKLVMK-MRXNPFEDSA-N 2 1 353.304 3.427 20 10 FGCDMP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278935088 497272408 /nfs/dbraw/zinc/27/24/08/497272408.db2.gz WUXBTYLOLQBHIW-UHFFFAOYSA-N 2 1 373.453 3.441 20 10 FGCDMP C[C@@H]1CN(c2ccc(C[NH2+]C3CC[NH+](C4CC4)CC3)cc2F)C[C@H](C)O1 ZINC000298549947 498811406 /nfs/dbraw/zinc/81/14/06/498811406.db2.gz UOKQMAMIRDAJQA-IYBDPMFKSA-N 2 1 361.505 3.156 20 10 FGCDMP COc1cc(O)c(C[NH2+]C[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)cc1OC ZINC000378522540 499527588 /nfs/dbraw/zinc/52/75/88/499527588.db2.gz SPCNDYZGNYJRSP-HRAATJIYSA-N 2 1 356.466 3.192 20 10 FGCDMP C[C@H]1C[N@@H+](Cc2ccc(N3CCCCC3)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000377246550 499673580 /nfs/dbraw/zinc/67/35/80/499673580.db2.gz UYBQYJJPJDBMSP-NZQKXSOJSA-N 2 1 370.585 3.135 20 10 FGCDMP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2Cl)C1 ZINC000765073474 723475855 /nfs/dbraw/zinc/47/58/55/723475855.db2.gz KFWLFGHUOLPYLO-CVEARBPZSA-N 2 1 351.922 3.169 20 10 FGCDMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2Cl)C1 ZINC000765073474 723475856 /nfs/dbraw/zinc/47/58/56/723475856.db2.gz KFWLFGHUOLPYLO-CVEARBPZSA-N 2 1 351.922 3.169 20 10 FGCDMP C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000817899394 727287506 /nfs/dbraw/zinc/28/75/06/727287506.db2.gz LMLVUBMZWHOHQS-RKVPGOIHSA-N 2 1 353.457 3.377 20 10 FGCDMP [NH3+][C@H](C[NH2+]Cc1ccc(N2CCCCC2)c(Br)c1)C1CC1 ZINC000841051371 730206194 /nfs/dbraw/zinc/20/61/94/730206194.db2.gz QQANQDWDCFDJSG-MRXNPFEDSA-N 2 1 352.320 3.266 20 10 FGCDMP Cc1cc(Br)cc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1O ZINC000843045459 730573496 /nfs/dbraw/zinc/57/34/96/730573496.db2.gz RXZREAYQDXRRHC-BBRMVZONSA-N 2 1 353.304 3.427 20 10 FGCDMP Cc1cc(Br)cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1O ZINC000843045459 730573498 /nfs/dbraw/zinc/57/34/98/730573498.db2.gz RXZREAYQDXRRHC-BBRMVZONSA-N 2 1 353.304 3.427 20 10 FGCDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2c(O)cccc2Br)C1 ZINC000862249807 732798543 /nfs/dbraw/zinc/79/85/43/732798543.db2.gz DCLISFNGVJSBOK-CQSZACIVSA-N 2 1 371.319 3.087 20 10 FGCDMP C[C@H]1C[C@H]([NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC[N@@H+]1C ZINC000130057744 495335162 /nfs/dbraw/zinc/33/51/62/495335162.db2.gz OFCKUHNVTKOQAV-ARFHVFGLSA-N 2 1 353.457 3.329 20 10 FGCDMP C[C@H]1C[C@H]([NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC[N@H+]1C ZINC000130057744 495335166 /nfs/dbraw/zinc/33/51/66/495335166.db2.gz OFCKUHNVTKOQAV-ARFHVFGLSA-N 2 1 353.457 3.329 20 10 FGCDMP Cc1cc(C)c([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)c(O)c1 ZINC000285181683 498014541 /nfs/dbraw/zinc/01/45/41/498014541.db2.gz NIFFCKCHYYTWSC-XLIONFOSSA-N 2 1 354.494 3.426 20 10 FGCDMP CC[C@@H](c1ccccc1O)[NH+]1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC000364622612 498054589 /nfs/dbraw/zinc/05/45/89/498054589.db2.gz LIWJDPJZVWACQW-FQEVSTJZSA-N 2 1 373.541 3.110 20 10 FGCDMP COc1c([O-])c(C[NH2+]C[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000365828036 498658479 /nfs/dbraw/zinc/65/84/79/498658479.db2.gz TZTNSNKGCOFWSM-MAUKXSAKSA-N 2 1 371.437 3.092 20 10 FGCDMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1c(O)cccc1Cl ZINC000294942286 498857225 /nfs/dbraw/zinc/85/72/25/498857225.db2.gz CSMSBVLWTVHKBW-KRWDZBQOSA-N 2 1 360.885 3.292 20 10 FGCDMP Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)c1 ZINC000756342976 722963100 /nfs/dbraw/zinc/96/31/00/722963100.db2.gz MBCSYLHFQCHYIA-WMZOPIPTSA-N 2 1 359.539 3.401 20 10 FGCDMP COCC[N@@H+](Cc1cccs1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775644798 724014585 /nfs/dbraw/zinc/01/45/85/724014585.db2.gz VRVPNVXXOURRRP-UHFFFAOYSA-N 2 1 359.539 3.149 20 10 FGCDMP Cc1cc(Cl)cc(C[NH+]2CCN(C3CC[NH+](C(C)C)CC3)CC2)c1O ZINC000775733572 724033608 /nfs/dbraw/zinc/03/36/08/724033608.db2.gz VVBMEXZQDULUDT-UHFFFAOYSA-N 2 1 365.949 3.344 20 10 FGCDMP C[C@@H]([NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H]1CCCC[NH2+]1 ZINC000817899399 727287444 /nfs/dbraw/zinc/28/74/44/727287444.db2.gz LMLVUBMZWHOHQS-RVKKMQEKSA-N 2 1 353.457 3.377 20 10 FGCDMP Cc1cc(Cl)cc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)c1O ZINC000826940888 729419587 /nfs/dbraw/zinc/41/95/87/729419587.db2.gz HCCBJMMWSCSEBO-IBGZPJMESA-N 2 1 360.885 3.210 20 10 FGCDMP COc1cc(Br)cc(C[NH2+][C@@H](C[NH3+])C2CCCCC2)c1O ZINC000841039404 730205092 /nfs/dbraw/zinc/20/50/92/730205092.db2.gz NNEJAVWMRHCBFZ-AWEZNQCLSA-N 2 1 357.292 3.161 20 10 FGCDMP COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)c1O ZINC000848527366 731175724 /nfs/dbraw/zinc/17/57/24/731175724.db2.gz AKIBVLWGSJPMQA-NEPJUHHUSA-N 2 1 357.292 3.156 20 10 FGCDMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1c(O)cccc1Cl ZINC000294942288 498857381 /nfs/dbraw/zinc/85/73/81/498857381.db2.gz CSMSBVLWTVHKBW-QGZVFWFLSA-N 2 1 360.885 3.292 20 10 FGCDMP C[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000373521421 499474774 /nfs/dbraw/zinc/47/47/74/499474774.db2.gz KPDHDGARKGVAEL-IPJUCJBFSA-N 2 1 361.505 3.330 20 10 FGCDMP C[NH+]1CCN([C@H](C[NH2+]Cc2cc(Cl)ccc2O)c2cccs2)CC1 ZINC000725841505 722424564 /nfs/dbraw/zinc/42/45/64/722424564.db2.gz LDGDVPKIIFPWQB-MRXNPFEDSA-N 2 1 365.930 3.185 20 10 FGCDMP C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1cc(F)ccc1O ZINC000756344933 722963124 /nfs/dbraw/zinc/96/31/24/722963124.db2.gz VAXSCTFDLGDIQJ-PBHICJAKSA-N 2 1 363.502 3.232 20 10 FGCDMP C[C@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1cc(F)cc(F)c1O ZINC000756495017 722965632 /nfs/dbraw/zinc/96/56/32/722965632.db2.gz IWVAHHOTEUMVIH-ZDUSSCGKSA-N 2 1 350.409 3.462 20 10 FGCDMP COc1cc(Br)cc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)c1O ZINC000809767802 725266593 /nfs/dbraw/zinc/26/65/93/725266593.db2.gz UOESEPKYJPPDGZ-DOMZBBRYSA-N 2 1 369.303 3.079 20 10 FGCDMP COc1cc(Br)cc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)c1O ZINC000809767802 725266594 /nfs/dbraw/zinc/26/65/94/725266594.db2.gz UOESEPKYJPPDGZ-DOMZBBRYSA-N 2 1 369.303 3.079 20 10 FGCDMP COc1cc(Br)cc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c1O ZINC000809767802 725266595 /nfs/dbraw/zinc/26/65/95/725266595.db2.gz UOESEPKYJPPDGZ-DOMZBBRYSA-N 2 1 369.303 3.079 20 10 FGCDMP COc1cc(Br)cc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c1O ZINC000809767802 725266596 /nfs/dbraw/zinc/26/65/96/725266596.db2.gz UOESEPKYJPPDGZ-DOMZBBRYSA-N 2 1 369.303 3.079 20 10 FGCDMP Oc1cc(F)c(Cl)cc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000816515687 727170487 /nfs/dbraw/zinc/17/04/87/727170487.db2.gz HTJPUJNSFPKZRU-UHFFFAOYSA-N 2 1 356.869 3.262 20 10 FGCDMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccc(Cl)cc1O ZINC000841752688 730270713 /nfs/dbraw/zinc/27/07/13/730270713.db2.gz VBGRXQCJUVUDNH-MORSLUCNSA-N 2 1 352.906 3.464 20 10 FGCDMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2cccc(Br)c2[O-])C1 ZINC000844911117 730788435 /nfs/dbraw/zinc/78/84/35/730788435.db2.gz KPJGNVYGDJGAHS-VNQPRFMTSA-N 2 1 369.303 3.016 20 10 FGCDMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2cccc(Br)c2O)C1 ZINC000844911117 730788436 /nfs/dbraw/zinc/78/84/36/730788436.db2.gz KPJGNVYGDJGAHS-VNQPRFMTSA-N 2 1 369.303 3.016 20 10 FGCDMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2cccc(Br)c2O)C1 ZINC000844911117 730788438 /nfs/dbraw/zinc/78/84/38/730788438.db2.gz KPJGNVYGDJGAHS-VNQPRFMTSA-N 2 1 369.303 3.016 20 10 FGCDMP COc1cc(Br)cc([C@@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)c1O ZINC000848537927 731178041 /nfs/dbraw/zinc/17/80/41/731178041.db2.gz PJHHDMAYOOQCJP-LLVKDONJSA-N 2 1 355.276 3.076 20 10 FGCDMP C[NH+]1CCN(c2ccc(C[NH2+]Cc3ncc(C(C)(C)C)s3)cc2)CC1 ZINC000883283331 737546938 /nfs/dbraw/zinc/54/69/38/737546938.db2.gz BEIGDUYVEARCMH-UHFFFAOYSA-N 2 1 358.555 3.482 20 10 FGCDMP C[NH+]1CCN(c2ccc(C[NH2+]Cc3csc(C(C)(C)C)n3)cc2)CC1 ZINC000883283626 737547143 /nfs/dbraw/zinc/54/71/43/737547143.db2.gz MEMFBRNOBYXORH-UHFFFAOYSA-N 2 1 358.555 3.482 20 10 FGCDMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(N2CCCCC2)cc1 ZINC000128233387 495064875 /nfs/dbraw/zinc/06/48/75/495064875.db2.gz XLBXDWTUPODYJM-FQEVSTJZSA-N 2 1 358.574 3.355 20 10 FGCDMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cc(Cl)ccc1O ZINC000186520005 496029045 /nfs/dbraw/zinc/02/90/45/496029045.db2.gz BWAUEVFOWSDREB-KDOFPFPSSA-N 2 1 360.885 3.463 20 10 FGCDMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1cc(F)ccc1O ZINC000186519911 496029407 /nfs/dbraw/zinc/02/94/07/496029407.db2.gz ZWSFAFMCXBRMCO-DNVCBOLYSA-N 2 1 358.457 3.339 20 10 FGCDMP COc1ccc(O)c([C@H](C)[N@H+]2CCCN(Cc3nccn3C(C)C)CC2)c1 ZINC000372710237 499164913 /nfs/dbraw/zinc/16/49/13/499164913.db2.gz CEEPYWSDEGQNMX-KRWDZBQOSA-N 2 1 372.513 3.447 20 10 FGCDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(Br)cc(OC)c2O)[C@H](C)C1 ZINC000093638772 700452575 /nfs/dbraw/zinc/45/25/75/700452575.db2.gz IXYSJNNVWXBTBI-DOMZBBRYSA-N 2 1 371.319 3.325 20 10 FGCDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(Br)cc(OC)c2O)[C@H](C)C1 ZINC000093638772 700452576 /nfs/dbraw/zinc/45/25/76/700452576.db2.gz IXYSJNNVWXBTBI-DOMZBBRYSA-N 2 1 371.319 3.325 20 10 FGCDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(Br)cc(OC)c2O)[C@H](C)C1 ZINC000093638772 700452577 /nfs/dbraw/zinc/45/25/77/700452577.db2.gz IXYSJNNVWXBTBI-DOMZBBRYSA-N 2 1 371.319 3.325 20 10 FGCDMP C[C@H]([NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H]1CCCC[NH2+]1 ZINC000817899396 727287545 /nfs/dbraw/zinc/28/75/45/727287545.db2.gz LMLVUBMZWHOHQS-RLFYNMQTSA-N 2 1 353.457 3.377 20 10 FGCDMP Oc1cc(Br)ccc1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000827948591 729437604 /nfs/dbraw/zinc/43/76/04/729437604.db2.gz HWDGWTPQMWMTHJ-CQSZACIVSA-N 2 1 353.304 3.366 20 10 FGCDMP COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1O ZINC000848519358 731174806 /nfs/dbraw/zinc/17/48/06/731174806.db2.gz RKMXCCCYIPXADO-YUTCNCBUSA-N 2 1 369.303 3.441 20 10 FGCDMP COc1cc(Br)cc([C@H](C)[NH2+]CCn2cc[nH+]c2C)c1O ZINC000848525447 731175252 /nfs/dbraw/zinc/17/52/52/731175252.db2.gz NZILWFXNHZONBB-JTQLQIEISA-N 2 1 354.248 3.019 20 10 FGCDMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cc(Cl)ccc1O ZINC000850506862 731366249 /nfs/dbraw/zinc/36/62/49/731366249.db2.gz CJRHDBIKYFNIDE-KBXCAEBGSA-N 2 1 360.885 3.463 20 10 FGCDMP COc1cc(Br)cc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)c1O ZINC000105442786 700501046 /nfs/dbraw/zinc/50/10/46/700501046.db2.gz UVZLLONRIZCTIO-NSHDSACASA-N 2 1 368.275 3.094 20 10 FGCDMP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000752110410 722845456 /nfs/dbraw/zinc/84/54/56/722845456.db2.gz FEMPSOIMGSQJMU-OAQYLSRUSA-N 2 1 350.547 3.389 20 10 FGCDMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(Cl)cc1O ZINC000841754430 730270977 /nfs/dbraw/zinc/27/09/77/730270977.db2.gz RMXFVXYJRIIPSR-KDOFPFPSSA-N 2 1 360.885 3.463 20 10 FGCDMP CC(C)C[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000846175919 730933753 /nfs/dbraw/zinc/93/37/53/730933753.db2.gz AASTXMDTZGFBTO-KRWDZBQOSA-N 2 1 351.510 3.291 20 10 FGCDMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000846175919 730933754 /nfs/dbraw/zinc/93/37/54/730933754.db2.gz AASTXMDTZGFBTO-KRWDZBQOSA-N 2 1 351.510 3.291 20 10 FGCDMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc(Br)cc(OC)c2O)C1 ZINC000848521964 731174619 /nfs/dbraw/zinc/17/46/19/731174619.db2.gz SHDHSPSULRFIQS-RYUDHWBXSA-N 2 1 357.292 3.156 20 10 FGCDMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccc(Cl)cc1O ZINC000850510570 731366909 /nfs/dbraw/zinc/36/69/09/731366909.db2.gz YITUMFLOWNZUET-KSSFIOAISA-N 2 1 360.885 3.463 20 10 FGCDMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccc(OC)c(OC)c2O)CC1 ZINC000891611944 739920758 /nfs/dbraw/zinc/92/07/58/739920758.db2.gz ZHIDVKBIEUJOTC-UHFFFAOYSA-N 2 1 350.503 3.353 20 10 FGCDMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC[N@@H+]1C ZINC000130057543 495334918 /nfs/dbraw/zinc/33/49/18/495334918.db2.gz OFCKUHNVTKOQAV-BZUAXINKSA-N 2 1 353.457 3.329 20 10 FGCDMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC[N@H+]1C ZINC000130057543 495334922 /nfs/dbraw/zinc/33/49/22/495334922.db2.gz OFCKUHNVTKOQAV-BZUAXINKSA-N 2 1 353.457 3.329 20 10 FGCDMP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)cc1 ZINC000278907731 497262427 /nfs/dbraw/zinc/26/24/27/497262427.db2.gz SAPTYZJPOHCRTQ-UHFFFAOYSA-N 2 1 373.453 3.441 20 10 FGCDMP COc1cc(Br)cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1O ZINC000246479260 713625018 /nfs/dbraw/zinc/62/50/18/713625018.db2.gz OUBCFVIAVJJPRO-IUODEOHRSA-N 2 1 369.303 3.079 20 10 FGCDMP COc1cc(Br)cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1O ZINC000246479260 713625020 /nfs/dbraw/zinc/62/50/20/713625020.db2.gz OUBCFVIAVJJPRO-IUODEOHRSA-N 2 1 369.303 3.079 20 10 FGCDMP COc1cc(Br)cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1O ZINC000246479260 713625023 /nfs/dbraw/zinc/62/50/23/713625023.db2.gz OUBCFVIAVJJPRO-IUODEOHRSA-N 2 1 369.303 3.079 20 10 FGCDMP COc1cc(Br)cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1O ZINC000246479260 713625027 /nfs/dbraw/zinc/62/50/27/713625027.db2.gz OUBCFVIAVJJPRO-IUODEOHRSA-N 2 1 369.303 3.079 20 10 FGCDMP Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)c1 ZINC000756342975 722963127 /nfs/dbraw/zinc/96/31/27/722963127.db2.gz MBCSYLHFQCHYIA-SJLPKXTDSA-N 2 1 359.539 3.401 20 10 FGCDMP CCN(CC)c1ccc(C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cc1F ZINC000762480678 723246996 /nfs/dbraw/zinc/24/69/96/723246996.db2.gz BXTUGCZTVUYWKA-QGZVFWFLSA-N 2 1 351.510 3.262 20 10 FGCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCO[C@H](c4cccs4)C3)cc2)CC1 ZINC000775663876 724019154 /nfs/dbraw/zinc/01/91/54/724019154.db2.gz GTBLRXJMWMTICK-IBGZPJMESA-N 2 1 357.523 3.073 20 10 FGCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCO[C@H](c4cccs4)C3)cc2)CC1 ZINC000775663876 724019160 /nfs/dbraw/zinc/01/91/60/724019160.db2.gz GTBLRXJMWMTICK-IBGZPJMESA-N 2 1 357.523 3.073 20 10 FGCDMP C[C@@H]1CCCN(c2ccc(CNC[C@@H](O)C[N@@H+](C)C3CC3)cc2Cl)C1 ZINC000819289604 727364736 /nfs/dbraw/zinc/36/47/36/727364736.db2.gz FTLFKGZOGVJGCV-CRAIPNDOSA-N 2 1 365.949 3.121 20 10 FGCDMP C[C@@H]1CCCN(c2ccc(C[NH2+]C[C@@H](O)CN(C)C3CC3)cc2Cl)C1 ZINC000819289604 727364737 /nfs/dbraw/zinc/36/47/37/727364737.db2.gz FTLFKGZOGVJGCV-CRAIPNDOSA-N 2 1 365.949 3.121 20 10 FGCDMP Cc1cc(Br)cc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1O ZINC000841087149 730209187 /nfs/dbraw/zinc/20/91/87/730209187.db2.gz NFKQOUOOBHODND-CJNGLKHVSA-N 2 1 353.304 3.427 20 10 FGCDMP CC(C)C[N@H+](C)CCC[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000846175925 730933837 /nfs/dbraw/zinc/93/38/37/730933837.db2.gz AASTXMDTZGFBTO-QGZVFWFLSA-N 2 1 351.510 3.291 20 10 FGCDMP CC(C)C[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000846175925 730933839 /nfs/dbraw/zinc/93/38/39/730933839.db2.gz AASTXMDTZGFBTO-QGZVFWFLSA-N 2 1 351.510 3.291 20 10 FGCDMP COc1cc(Br)cc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c1O ZINC000848527935 731175544 /nfs/dbraw/zinc/17/55/44/731175544.db2.gz AHZMIOYXWLPRLN-GVXVVHGQSA-N 2 1 357.292 3.297 20 10 FGCDMP COc1cc(Br)cc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c1O ZINC000848527935 731175548 /nfs/dbraw/zinc/17/55/48/731175548.db2.gz AHZMIOYXWLPRLN-GVXVVHGQSA-N 2 1 357.292 3.297 20 10 FGCDMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccc(Cl)cc1O ZINC000850510573 731366999 /nfs/dbraw/zinc/36/69/99/731366999.db2.gz YITUMFLOWNZUET-RDTXWAMCSA-N 2 1 360.885 3.463 20 10 FGCDMP Cc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)c(O)c1C ZINC000273415440 496799424 /nfs/dbraw/zinc/79/94/24/496799424.db2.gz IPHLWBMRSGRPHN-FXAWDEMLSA-N 2 1 354.494 3.426 20 10 FGCDMP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)c1 ZINC000278571905 497156131 /nfs/dbraw/zinc/15/61/31/497156131.db2.gz CXQBVWZHQNAFLS-UHFFFAOYSA-N 2 1 359.426 3.051 20 10 FGCDMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)c1 ZINC000278571905 497156136 /nfs/dbraw/zinc/15/61/36/497156136.db2.gz CXQBVWZHQNAFLS-UHFFFAOYSA-N 2 1 359.426 3.051 20 10 FGCDMP C[C@@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1cc(F)ccc1O ZINC000756344935 722963160 /nfs/dbraw/zinc/96/31/60/722963160.db2.gz VAXSCTFDLGDIQJ-RHSMWYFYSA-N 2 1 363.502 3.232 20 10 FGCDMP C[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1cccc(C(F)(F)F)c1O ZINC000798184410 723911632 /nfs/dbraw/zinc/91/16/32/723911632.db2.gz USUNQGCGTSGZCO-AWEZNQCLSA-N 2 1 359.436 3.089 20 10 FGCDMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cccc(C(F)(F)F)c1O ZINC000798184410 723911634 /nfs/dbraw/zinc/91/16/34/723911634.db2.gz USUNQGCGTSGZCO-AWEZNQCLSA-N 2 1 359.436 3.089 20 10 FGCDMP Cc1cc(Cl)cc(C[NH+]2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)c1O ZINC000775666377 724019702 /nfs/dbraw/zinc/01/97/02/724019702.db2.gz XBFQNQXJARQKDK-IRXDYDNUSA-N 2 1 365.949 3.344 20 10 FGCDMP CC[C@@H]([NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@@H]1CCC[NH2+]1 ZINC000817898266 727287176 /nfs/dbraw/zinc/28/71/76/727287176.db2.gz DLEATQBIHXSWJE-OLMNPRSZSA-N 2 1 353.457 3.377 20 10 FGCDMP [NH3+][C@@H](C[NH2+]Cc1ccc(N2CCCCC2)c(Br)c1)C1CC1 ZINC000841051369 730206291 /nfs/dbraw/zinc/20/62/91/730206291.db2.gz QQANQDWDCFDJSG-INIZCTEOSA-N 2 1 352.320 3.266 20 10 FGCDMP Cc1cc(Br)cc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1O ZINC000841087151 730209227 /nfs/dbraw/zinc/20/92/27/730209227.db2.gz NFKQOUOOBHODND-CZUORRHYSA-N 2 1 353.304 3.427 20 10 FGCDMP Oc1c(Br)cccc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000843126642 730588944 /nfs/dbraw/zinc/58/89/44/730588944.db2.gz MLIRQBBIICTLNC-ZIAGYGMSSA-N 2 1 353.304 3.366 20 10 FGCDMP Oc1c(Br)cccc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000843126642 730588948 /nfs/dbraw/zinc/58/89/48/730588948.db2.gz MLIRQBBIICTLNC-ZIAGYGMSSA-N 2 1 353.304 3.366 20 10 FGCDMP CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1O ZINC000843386163 730612523 /nfs/dbraw/zinc/61/25/23/730612523.db2.gz IOBBJJSMGKCATR-HUUCEWRRSA-N 2 1 350.890 3.460 20 10 FGCDMP CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1O ZINC000843386163 730612525 /nfs/dbraw/zinc/61/25/25/730612525.db2.gz IOBBJJSMGKCATR-HUUCEWRRSA-N 2 1 350.890 3.460 20 10 FGCDMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2cccc(Br)c2[O-])C1 ZINC000844911116 730788213 /nfs/dbraw/zinc/78/82/13/730788213.db2.gz KPJGNVYGDJGAHS-KBMXLJTQSA-N 2 1 369.303 3.016 20 10 FGCDMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2cccc(Br)c2O)C1 ZINC000844911116 730788216 /nfs/dbraw/zinc/78/82/16/730788216.db2.gz KPJGNVYGDJGAHS-KBMXLJTQSA-N 2 1 369.303 3.016 20 10 FGCDMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2cccc(Br)c2O)C1 ZINC000844911116 730788221 /nfs/dbraw/zinc/78/82/21/730788221.db2.gz KPJGNVYGDJGAHS-KBMXLJTQSA-N 2 1 369.303 3.016 20 10 FGCDMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2cc(F)c(N(C)C)cc2F)C[C@H](C)O1 ZINC000858141819 732185354 /nfs/dbraw/zinc/18/53/54/732185354.db2.gz RHODWODXMQFTCI-GASCZTMLSA-N 2 1 355.473 3.010 20 10 FGCDMP C[NH+]1CCN(c2ccc(C[NH2+]Cc3nc4c(s3)CCCC4)cc2)CC1 ZINC000883283642 737547134 /nfs/dbraw/zinc/54/71/34/737547134.db2.gz MSPRBLQSJTYFFZ-UHFFFAOYSA-N 2 1 356.539 3.064 20 10 FGCDMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC[N@@H+]1C ZINC000130058190 495334768 /nfs/dbraw/zinc/33/47/68/495334768.db2.gz OFCKUHNVTKOQAV-HRCADAONSA-N 2 1 353.457 3.329 20 10 FGCDMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC[N@H+]1C ZINC000130058190 495334770 /nfs/dbraw/zinc/33/47/70/495334770.db2.gz OFCKUHNVTKOQAV-HRCADAONSA-N 2 1 353.457 3.329 20 10 FGCDMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000164705838 496628704 /nfs/dbraw/zinc/62/87/04/496628704.db2.gz JOCJRZGANCBQEG-MRXNPFEDSA-N 2 1 360.477 3.298 20 10 FGCDMP COc1c(O)c(C[N@H+]2CCC[C@H]2Cn2ccnc2C(C)C)ccc1[N+](=O)[O-] ZINC000365826981 498656755 /nfs/dbraw/zinc/65/67/55/498656755.db2.gz RFBBHAPAGZBMDJ-HNNXBMFYSA-N 2 1 374.441 3.294 20 10 FGCDMP CC[NH+]1CCC([NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1 ZINC000766237435 723563916 /nfs/dbraw/zinc/56/39/16/723563916.db2.gz KTDGVXXXAQWLRV-INIZCTEOSA-N 2 1 353.457 3.331 20 10 FGCDMP CCC[N@@H+](CCC[NH+](C)C)Cc1cc(Br)cc(OC)c1O ZINC000809754477 725265536 /nfs/dbraw/zinc/26/55/36/725265536.db2.gz AIMTVMVYXYTPII-UHFFFAOYSA-N 2 1 359.308 3.327 20 10 FGCDMP C[NH+](C)CCOc1ccccc1C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816543067 727173232 /nfs/dbraw/zinc/17/32/32/727173232.db2.gz MWMZDJAOXNOVKD-UHFFFAOYSA-N 2 1 352.837 3.415 20 10 FGCDMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3c(O)cc(C)cc3Cl)CC2)CC1 ZINC000817414044 727249083 /nfs/dbraw/zinc/24/90/83/727249083.db2.gz QJUVJXQVGLZDHO-UHFFFAOYSA-N 2 1 365.949 3.346 20 10 FGCDMP Oc1cc(Br)ccc1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000827948588 729437619 /nfs/dbraw/zinc/43/76/19/729437619.db2.gz HWDGWTPQMWMTHJ-AWEZNQCLSA-N 2 1 353.304 3.366 20 10 FGCDMP COc1cc(Br)cc(C[NH2+]CCCC[N@@H+](C)C2CC2)c1O ZINC000835062510 729854387 /nfs/dbraw/zinc/85/43/87/729854387.db2.gz PGHORJHLJXBNDE-UHFFFAOYSA-N 2 1 357.292 3.127 20 10 FGCDMP Oc1c(Br)cccc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000843126641 730589042 /nfs/dbraw/zinc/58/90/42/730589042.db2.gz MLIRQBBIICTLNC-UONOGXRCSA-N 2 1 353.304 3.366 20 10 FGCDMP Oc1c(Br)cccc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000843126641 730589044 /nfs/dbraw/zinc/58/90/44/730589044.db2.gz MLIRQBBIICTLNC-UONOGXRCSA-N 2 1 353.304 3.366 20 10 FGCDMP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000268866592 496809204 /nfs/dbraw/zinc/80/92/04/496809204.db2.gz CNYMURHXDDFIBG-MRXNPFEDSA-N 2 1 361.505 3.330 20 10 FGCDMP COc1c(O)c(C[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000278563370 497154739 /nfs/dbraw/zinc/15/47/39/497154739.db2.gz BOPVGCNNVGCRDU-AWEZNQCLSA-N 2 1 351.447 3.053 20 10 FGCDMP COc1c(O)c(C[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000278563370 497154744 /nfs/dbraw/zinc/15/47/44/497154744.db2.gz BOPVGCNNVGCRDU-AWEZNQCLSA-N 2 1 351.447 3.053 20 10 FGCDMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296310219 497994145 /nfs/dbraw/zinc/99/41/45/497994145.db2.gz FCXLJHPRHLAPLB-VQTJNVASSA-N 2 1 352.478 3.126 20 10 FGCDMP COc1c([O-])c(C[NH2+]C[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000365828040 498658514 /nfs/dbraw/zinc/65/85/14/498658514.db2.gz TZTNSNKGCOFWSM-QAPCUYQASA-N 2 1 371.437 3.092 20 10 FGCDMP C[C@@H]1CN(c2ccc(C[NH2+]C3CC[NH+](C4CC4)CC3)cc2F)C[C@@H](C)O1 ZINC000298549946 498811115 /nfs/dbraw/zinc/81/11/15/498811115.db2.gz UOKQMAMIRDAJQA-HZPDHXFCSA-N 2 1 361.505 3.156 20 10 FGCDMP C[N@@H+](Cc1c(O)ccc2ccccc21)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000368052721 499260039 /nfs/dbraw/zinc/26/00/39/499260039.db2.gz YBQZQQUNBATFBB-LJQANCHMSA-N 2 1 353.510 3.146 20 10 FGCDMP