smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O[C@H](C[N@@H+]1CCCN(c2cccnn2)CC1)c1ccccc1Br ZINC000152928581 531580011 /nfs/dbraw/zinc/58/00/11/531580011.db2.gz KUIWJMYNHFCBQP-MRXNPFEDSA-N 1 1 377.286 2.485 10 0 GEAEMO O[C@H](C[N@H+]1CCCN(c2cccnn2)CC1)c1ccccc1Br ZINC000152928581 531580014 /nfs/dbraw/zinc/58/00/14/531580014.db2.gz KUIWJMYNHFCBQP-MRXNPFEDSA-N 1 1 377.286 2.485 10 0 GEAEMO CC(C)[N@@H+]1C[C@H](NC(=O)CNC(=O)c2cccc(Br)c2)[C@@H](C)C1 ZINC000155407562 531682602 /nfs/dbraw/zinc/68/26/02/531682602.db2.gz LPDNXTMJBAKJJR-WFASDCNBSA-N 1 1 382.302 2.024 10 0 GEAEMO COc1cc(Br)c(CNC(=O)N2CC[N@H+]3CCC[C@@H]3C2)cc1OC ZINC000171906789 531924670 /nfs/dbraw/zinc/92/46/70/531924670.db2.gz LXCMROREPZRYJE-CYBMUJFWSA-N 1 1 398.301 2.456 10 0 GEAEMO Cn1cc([C@@H]2CC[N@@H+](C[C@H](O)COc3cccc(Br)c3)C2)cn1 ZINC000172056688 531932674 /nfs/dbraw/zinc/93/26/74/531932674.db2.gz ACNHOMSKYADUBS-CJNGLKHVSA-N 1 1 380.286 2.412 10 0 GEAEMO C[C@@H]([NH2+][C@@H](C)c1ccccc1Br)C(=O)N(C)CC(=O)NC1CC1 ZINC000173807333 532035452 /nfs/dbraw/zinc/03/54/52/532035452.db2.gz LBKXYQNLRLFOEC-NWDGAFQWSA-N 1 1 382.302 2.225 10 0 GEAEMO COc1ccc(Br)cc1S(=O)(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000173884078 532040682 /nfs/dbraw/zinc/04/06/82/532040682.db2.gz JPRIMJZQKRNMLZ-AAEUAGOBSA-N 1 1 391.331 2.465 10 0 GEAEMO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000173903869 532042651 /nfs/dbraw/zinc/04/26/51/532042651.db2.gz QINPXCVTSKIUQZ-OAHLLOKOSA-N 1 1 386.323 2.358 10 0 GEAEMO O[C@H](COc1ccc(Cl)cc1Cl)C[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173948971 532044394 /nfs/dbraw/zinc/04/43/94/532044394.db2.gz BHOOMVROUTYYLI-GJZGRUSLSA-N 1 1 375.296 2.140 10 0 GEAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccc(Br)cc1-n1cncn1 ZINC000134725869 532262251 /nfs/dbraw/zinc/26/22/51/532262251.db2.gz OIYASMQZPFVQBJ-TZMCWYRMSA-N 1 1 390.285 2.339 10 0 GEAEMO O=C(c1cc2c(cc1Br)NC(=O)CO2)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000183303811 532323297 /nfs/dbraw/zinc/32/32/97/532323297.db2.gz QDYUKLUJAKXDOG-NSHDSACASA-N 1 1 394.269 2.090 10 0 GEAEMO O=C(c1cc2c(cc1Br)NC(=O)CO2)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000183303811 532323298 /nfs/dbraw/zinc/32/32/98/532323298.db2.gz QDYUKLUJAKXDOG-NSHDSACASA-N 1 1 394.269 2.090 10 0 GEAEMO CC[C@H](O)C[NH+]1CCN(C(=O)NCc2cc(F)ccc2Br)CC1 ZINC000184921488 532335954 /nfs/dbraw/zinc/33/59/54/532335954.db2.gz OXIYVEOGEVLTQW-AWEZNQCLSA-N 1 1 388.281 2.186 10 0 GEAEMO CC[C@H](O)C[NH+]1CCN(C(=O)NCc2ccc(F)cc2Br)CC1 ZINC000184944866 532336108 /nfs/dbraw/zinc/33/61/08/532336108.db2.gz MVYRJQMZAAGKFG-AWEZNQCLSA-N 1 1 388.281 2.186 10 0 GEAEMO CCOc1ccc(NC(=O)C(=O)N[C@@H]2CCC[N@@H+](CC)C2)cc1Br ZINC000188570429 532348664 /nfs/dbraw/zinc/34/86/64/532348664.db2.gz QLKPRJZCATUDCF-CYBMUJFWSA-N 1 1 398.301 2.387 10 0 GEAEMO C[N@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)NC[C@@H]2CSCCS2)C1 ZINC000190724301 532357576 /nfs/dbraw/zinc/35/75/76/532357576.db2.gz PQCLHQPFLOQELA-DLBZAZTESA-N 1 1 380.583 2.394 10 0 GEAEMO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1C[C@H](O)COc1cccc(Br)c1 ZINC000191180609 532359774 /nfs/dbraw/zinc/35/97/74/532359774.db2.gz HYVZVPXKURUDAT-UOJCXKCYSA-N 1 1 398.297 2.462 10 0 GEAEMO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1C[C@H](O)COc1cccc(Br)c1 ZINC000191180609 532359775 /nfs/dbraw/zinc/35/97/75/532359775.db2.gz HYVZVPXKURUDAT-UOJCXKCYSA-N 1 1 398.297 2.462 10 0 GEAEMO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2cc(Br)c(F)cc2F)C[C@H]1C ZINC000192136088 532388739 /nfs/dbraw/zinc/38/87/39/532388739.db2.gz RFEYTEUAPBAQQB-NXEZZACHSA-N 1 1 377.229 2.254 10 0 GEAEMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2cc(Br)c(F)cc2F)C[C@H]1C ZINC000192136088 532388744 /nfs/dbraw/zinc/38/87/44/532388744.db2.gz RFEYTEUAPBAQQB-NXEZZACHSA-N 1 1 377.229 2.254 10 0 GEAEMO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)C(=O)Nc2cc(F)ccc2Br)C1 ZINC000246626596 532542631 /nfs/dbraw/zinc/54/26/31/532542631.db2.gz SMANHJHJIGTGQL-IINYFYTJSA-N 1 1 386.265 2.372 10 0 GEAEMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)Nc1cc(Br)c(=O)n(C)c1 ZINC000246184085 532531492 /nfs/dbraw/zinc/53/14/92/532531492.db2.gz JSNBNQFTLVPDMW-NEPJUHHUSA-N 1 1 385.306 2.390 10 0 GEAEMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)Nc1cc(Br)c(=O)n(C)c1 ZINC000246184087 532531999 /nfs/dbraw/zinc/53/19/99/532531999.db2.gz JSNBNQFTLVPDMW-RYUDHWBXSA-N 1 1 385.306 2.390 10 0 GEAEMO CC[N@@H+]1CCC[C@@H](NC(=O)N(C)[C@H]2CS(=O)(=O)c3ccc(Cl)cc32)C1 ZINC000249446081 532565843 /nfs/dbraw/zinc/56/58/43/532565843.db2.gz NITGXLAFIUDPKR-HIFRSBDPSA-N 1 1 385.917 2.294 10 0 GEAEMO CC[N@H+]1CCC[C@@H](NC(=O)N(C)[C@H]2CS(=O)(=O)c3ccc(Cl)cc32)C1 ZINC000249446081 532565851 /nfs/dbraw/zinc/56/58/51/532565851.db2.gz NITGXLAFIUDPKR-HIFRSBDPSA-N 1 1 385.917 2.294 10 0 GEAEMO C[C@H](CNC(=O)Nc1cc(Br)c(=O)n(C)c1)[N@H+]1CCC[C@H](C)C1 ZINC000247408412 532547591 /nfs/dbraw/zinc/54/75/91/532547591.db2.gz MLQPPUFCYYEZAY-NWDGAFQWSA-N 1 1 385.306 2.390 10 0 GEAEMO C[C@H](CNC(=O)Nc1cc(Br)c(=O)n(C)c1)[N@H+]1CCC[C@@H](C)C1 ZINC000247408422 532548088 /nfs/dbraw/zinc/54/80/88/532548088.db2.gz MLQPPUFCYYEZAY-VXGBXAGGSA-N 1 1 385.306 2.390 10 0 GEAEMO O=C(CN[C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)Nc1ccc(Br)cc1 ZINC000261987101 532581593 /nfs/dbraw/zinc/58/15/93/532581593.db2.gz SENDGEWXSOAVKV-BZUAXINKSA-N 1 1 382.302 2.134 10 0 GEAEMO CC[NH+]1CCN(C(=O)c2ccc(CN3c4ccccc4OCC3=O)cc2)CC1 ZINC000004706452 204066343 /nfs/dbraw/zinc/06/63/43/204066343.db2.gz NAKAWZXXHUWOKG-UHFFFAOYSA-N 1 1 379.460 2.390 10 0 GEAEMO Cc1cccc(OCCc2nnc(NC(=O)[C@H]3CCC[N@@H+](CCO)C3)s2)c1 ZINC000055072967 205141956 /nfs/dbraw/zinc/14/19/56/205141956.db2.gz MFLVKNJIVQGXSE-HNNXBMFYSA-N 1 1 390.509 2.111 10 0 GEAEMO COCCNC(=O)[C@H]1CCC[N@H+](C2CCN(Cc3c(F)cccc3F)CC2)C1 ZINC000067805219 205260129 /nfs/dbraw/zinc/26/01/29/205260129.db2.gz HJVSPULKAJPIOH-INIZCTEOSA-N 1 1 395.494 2.404 10 0 GEAEMO OC[C@@H]1CCC[N@H+](Cc2nc3cc(Cl)ccc3c(N3CCOCC3)n2)C1 ZINC000299802215 206193340 /nfs/dbraw/zinc/19/33/40/206193340.db2.gz ZDXOMHGDHULPON-CQSZACIVSA-N 1 1 376.888 2.324 10 0 GEAEMO OC[C@@H]1CCC[N@@H+](Cc2nc3cc(Cl)ccc3c(N3CCOCC3)n2)C1 ZINC000299802215 206193346 /nfs/dbraw/zinc/19/33/46/206193346.db2.gz ZDXOMHGDHULPON-CQSZACIVSA-N 1 1 376.888 2.324 10 0 GEAEMO CCCCN1c2cccnc2S[C@H](CC(=O)N2CCC[N@@H+](C)CC2)C1=O ZINC000065172279 136159885 /nfs/dbraw/zinc/15/98/85/136159885.db2.gz RPLWLVQDRWSCKV-MRXNPFEDSA-N 1 1 376.526 2.243 10 0 GEAEMO Cc1ccc2[nH]c([C@H](NC(=O)C[C@H]3C(=O)NCC[N@@H+]3C(C)C)C(C)C)nc2c1 ZINC000019641679 570536323 /nfs/dbraw/zinc/53/63/23/570536323.db2.gz BIXZSFOLKUYJHB-PKOBYXMFSA-N 1 1 385.512 2.284 10 0 GEAEMO Cc1ccc2[nH]c([C@H](NC(=O)C[C@H]3C(=O)NCC[N@H+]3C(C)C)C(C)C)nc2c1 ZINC000019641679 570536326 /nfs/dbraw/zinc/53/63/26/570536326.db2.gz BIXZSFOLKUYJHB-PKOBYXMFSA-N 1 1 385.512 2.284 10 0 GEAEMO Cc1ccc(-c2ncc(C(=O)NC[C@@H]3CCCO3)c(N3CC[NH+](C)CC3)n2)cc1 ZINC000035988892 570559307 /nfs/dbraw/zinc/55/93/07/570559307.db2.gz BIKVRDXPLHJPKX-SFHVURJKSA-N 1 1 395.507 2.113 10 0 GEAEMO Cc1ccc(-n2ncc(C(=O)NCCC[NH+]3CCOCC3)c2-n2cccc2)cc1 ZINC000015681324 571044918 /nfs/dbraw/zinc/04/49/18/571044918.db2.gz TVHAPMNYJBFMKF-UHFFFAOYSA-N 1 1 393.491 2.424 10 0 GEAEMO CN(C)C(=O)N1CC[C@]2(O)CC[N@H+](Cc3cc4c(cc3Cl)OCO4)C[C@@H]2C1 ZINC000095378045 571065552 /nfs/dbraw/zinc/06/55/52/571065552.db2.gz JFAYZJKYZGHQLW-AUUYWEPGSA-N 1 1 395.887 2.009 10 0 GEAEMO CN(C)C(=O)N1CC[C@]2(O)CC[N@@H+](Cc3cc4c(cc3Cl)OCO4)C[C@@H]2C1 ZINC000095378045 571065557 /nfs/dbraw/zinc/06/55/57/571065557.db2.gz JFAYZJKYZGHQLW-AUUYWEPGSA-N 1 1 395.887 2.009 10 0 GEAEMO CC[N@H+]1CCC[C@@H](NC(=O)NCC(=O)Nc2ccc(Br)cc2)C1 ZINC000052552811 642721743 /nfs/dbraw/zinc/72/17/43/642721743.db2.gz PXICXTKUVAHZGY-CQSZACIVSA-N 1 1 383.290 2.171 10 0 GEAEMO COc1ccc(Br)cc1S(=O)(=O)N(C)C[C@H]1CC[N@@H+](C)C1 ZINC000071192989 643059651 /nfs/dbraw/zinc/05/96/51/643059651.db2.gz CDECLJZIRBGPHQ-NSHDSACASA-N 1 1 377.304 2.030 10 0 GEAEMO COCC[N@@H+]1CCN([C@@H](C)C(=O)Nc2ccccc2Br)C[C@@H]1C ZINC000106108076 643223074 /nfs/dbraw/zinc/22/30/74/643223074.db2.gz RFMKOAGLQNDDDM-KBPBESRZSA-N 1 1 384.318 2.429 10 0 GEAEMO COCC[N@H+]1CCN([C@@H](C)C(=O)Nc2ccccc2Br)C[C@@H]1C ZINC000106108076 643223085 /nfs/dbraw/zinc/22/30/85/643223085.db2.gz RFMKOAGLQNDDDM-KBPBESRZSA-N 1 1 384.318 2.429 10 0 GEAEMO COCC[N@@H+]1CCN([C@@H](C)C(=O)Nc2cccc(Br)c2)C[C@H]1C ZINC000106108796 643223403 /nfs/dbraw/zinc/22/34/03/643223403.db2.gz OPBZZCKPTXOWIB-KGLIPLIRSA-N 1 1 384.318 2.429 10 0 GEAEMO COCC[N@H+]1CCN([C@@H](C)C(=O)Nc2cccc(Br)c2)C[C@H]1C ZINC000106108796 643223407 /nfs/dbraw/zinc/22/34/07/643223407.db2.gz OPBZZCKPTXOWIB-KGLIPLIRSA-N 1 1 384.318 2.429 10 0 GEAEMO CCOCC[N@H+]1CCN(CC(=O)Nc2ccc(Br)cn2)C[C@@H]1CC ZINC000106117713 643223977 /nfs/dbraw/zinc/22/39/77/643223977.db2.gz GSXIQZSNTFNHHX-HNNXBMFYSA-N 1 1 399.333 2.215 10 0 GEAEMO O=C(CC[N@@H+]1CCO[C@@H](Cn2cccn2)C1)Nc1ccccc1Br ZINC000106190216 643224824 /nfs/dbraw/zinc/22/48/24/643224824.db2.gz GECREJSIUIRKAV-CQSZACIVSA-N 1 1 393.285 2.375 10 0 GEAEMO O=C(CC[N@H+]1CCO[C@@H](Cn2cccn2)C1)Nc1ccccc1Br ZINC000106190216 643224826 /nfs/dbraw/zinc/22/48/26/643224826.db2.gz GECREJSIUIRKAV-CQSZACIVSA-N 1 1 393.285 2.375 10 0 GEAEMO Cn1cc(C[N@@H+]2CCCN(C(=O)Cc3cccc(Br)c3)CC2)cn1 ZINC000109659110 643299191 /nfs/dbraw/zinc/29/91/91/643299191.db2.gz YRHCBAOQHIZMJF-UHFFFAOYSA-N 1 1 391.313 2.460 10 0 GEAEMO Cn1cc(C[N@H+]2CCCN(C(=O)Cc3cccc(Br)c3)CC2)cn1 ZINC000109659110 643299195 /nfs/dbraw/zinc/29/91/95/643299195.db2.gz YRHCBAOQHIZMJF-UHFFFAOYSA-N 1 1 391.313 2.460 10 0 GEAEMO CC[C@H]1CN(c2ccc(S(=O)(=O)C(F)(F)F)cc2)CC[N@@H+]1C[C@@H](C)O ZINC000110559909 643314042 /nfs/dbraw/zinc/31/40/42/643314042.db2.gz RJZLWPMRXJBRTR-OLZOCXBDSA-N 1 1 380.432 2.262 10 0 GEAEMO CC[C@H]1CN(c2ccc(S(=O)(=O)C(F)(F)F)cc2)CC[N@H+]1C[C@@H](C)O ZINC000110559909 643314045 /nfs/dbraw/zinc/31/40/45/643314045.db2.gz RJZLWPMRXJBRTR-OLZOCXBDSA-N 1 1 380.432 2.262 10 0 GEAEMO COCC[N@@H+]1CCN(C(=O)NCc2cc(Br)cs2)C[C@H]1C ZINC000117480987 643491764 /nfs/dbraw/zinc/49/17/64/643491764.db2.gz QGXDEYQLQDRYIH-LLVKDONJSA-N 1 1 376.320 2.373 10 0 GEAEMO COCC[N@H+]1CCN(C(=O)NCc2cc(Br)cs2)C[C@H]1C ZINC000117480987 643491775 /nfs/dbraw/zinc/49/17/75/643491775.db2.gz QGXDEYQLQDRYIH-LLVKDONJSA-N 1 1 376.320 2.373 10 0 GEAEMO CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(Br)cc2-n2cncn2)C1 ZINC000130602018 643844894 /nfs/dbraw/zinc/84/48/94/643844894.db2.gz GWJPSPBMTZNBKE-CYBMUJFWSA-N 1 1 378.274 2.244 10 0 GEAEMO CC(C)[N@H+]1C[C@H](NC(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)[C@@H](C)C1 ZINC000155590087 644076638 /nfs/dbraw/zinc/07/66/38/644076638.db2.gz CMUMHBHZDRWJNU-FZMZJTMJSA-N 1 1 378.416 2.439 10 0 GEAEMO CC(C)[N@@H+]1C[C@H](NC(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)[C@@H](C)C1 ZINC000155590087 644076646 /nfs/dbraw/zinc/07/66/46/644076646.db2.gz CMUMHBHZDRWJNU-FZMZJTMJSA-N 1 1 378.416 2.439 10 0 GEAEMO CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2c3ccccc3sc2C(=O)OC)C1 ZINC000156690965 644112399 /nfs/dbraw/zinc/11/23/99/644112399.db2.gz ZDUBSMKCQGRXPF-GFCCVEGCSA-N 1 1 382.507 2.451 10 0 GEAEMO CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2c3ccccc3sc2C(=O)OC)C1 ZINC000156690965 644112401 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CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(Br)nc1 ZINC000129238071 532175323 /nfs/dbraw/zinc/17/53/23/532175323.db2.gz LEZJYJPBQCEQDJ-CYBMUJFWSA-N 1 1 383.290 2.019 10 0 GEAEMO CC[N@@H+](CCOc1ccc(Br)cc1)C[C@H](O)CN1CCCC1=O ZINC000131591482 532200952 /nfs/dbraw/zinc/20/09/52/532200952.db2.gz SQDCHBDUFFFCRU-HNNXBMFYSA-N 1 1 385.302 2.133 10 0 GEAEMO O[C@@H](COc1cccc(Br)c1)C[N@H+]1CCOC2(CCOCC2)C1 ZINC000178594854 532206187 /nfs/dbraw/zinc/20/61/87/532206187.db2.gz OXXOQAZWZHVONY-OAHLLOKOSA-N 1 1 386.286 2.070 10 0 GEAEMO C[C@@H](O)C[N@H+]1CCN(Cc2cc(Br)c3c(c2)OCCO3)C[C@H]1C ZINC000179506079 532233926 /nfs/dbraw/zinc/23/39/26/532233926.db2.gz HMMSWFFNOKROQK-CHWSQXEVSA-N 1 1 385.302 2.107 10 0 GEAEMO CC(C)c1nnc2n1C[C@H]([NH2+][C@@H](C(N)=O)c1cccc(Br)c1)CC2 ZINC000179220600 532225663 /nfs/dbraw/zinc/22/56/63/532225663.db2.gz VMHBPIUEXJKNEE-UKRRQHHQSA-N 1 1 392.301 2.295 10 0 GEAEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1ccc(C)nc1Br ZINC000179822011 532245984 /nfs/dbraw/zinc/24/59/84/532245984.db2.gz HXTWDANJYUIVFB-GFCCVEGCSA-N 1 1 383.290 2.034 10 0 GEAEMO CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(Cl)c(OC(F)F)c2)C1 ZINC000181741436 532305776 /nfs/dbraw/zinc/30/57/76/532305776.db2.gz YCVBQGNPNBQGGT-LLVKDONJSA-N 1 1 375.803 2.480 10 0 GEAEMO CC[C@@H](O)C[NH+]1CCN(C(=O)NCCc2ccc(Br)cc2)CC1 ZINC000181781908 532306645 /nfs/dbraw/zinc/30/66/45/532306645.db2.gz CPCFHLNHSFOSEQ-MRXNPFEDSA-N 1 1 384.318 2.090 10 0 GEAEMO CC[C@@H](O)C[NH+]1CCN(C(=O)NCc2ccc(Br)c(F)c2)CC1 ZINC000184982495 532336446 /nfs/dbraw/zinc/33/64/46/532336446.db2.gz CTWWQAKFWLDRPZ-CYBMUJFWSA-N 1 1 388.281 2.186 10 0 GEAEMO CC(C)CCS(=O)(=O)N1CCC[C@H]([N@H+](C)CC(=O)OC(C)(C)C)CC1 ZINC000192232409 532397002 /nfs/dbraw/zinc/39/70/02/532397002.db2.gz IAWBRKNFUWTGEE-INIZCTEOSA-N 1 1 376.563 2.490 10 0 GEAEMO CC(C)CCS(=O)(=O)N1CCC[C@H]([N@@H+](C)CC(=O)OC(C)(C)C)CC1 ZINC000192232409 532397007 /nfs/dbraw/zinc/39/70/07/532397007.db2.gz IAWBRKNFUWTGEE-INIZCTEOSA-N 1 1 376.563 2.490 10 0 GEAEMO CC[C@H]1CN(S(=O)(=O)Cc2ccc(Cl)c(F)c2)CC[N@@H+]1C[C@@H](C)O ZINC000192731560 532407222 /nfs/dbraw/zinc/40/72/22/532407222.db2.gz PUVYZHBOORJJCF-OCCSQVGLSA-N 1 1 378.897 2.086 10 0 GEAEMO CC[C@H]1CN(S(=O)(=O)Cc2ccc(Cl)c(F)c2)CC[N@H+]1C[C@@H](C)O ZINC000192731560 532407223 /nfs/dbraw/zinc/40/72/23/532407223.db2.gz PUVYZHBOORJJCF-OCCSQVGLSA-N 1 1 378.897 2.086 10 0 GEAEMO CC[C@@H]1CN(C(=O)Cc2ccc(F)c(Br)c2)CC[N@H+]1C[C@H](C)O ZINC000246905005 532544385 /nfs/dbraw/zinc/54/43/85/532544385.db2.gz PUAZCIGSPBSAMW-GXTWGEPZSA-N 1 1 387.293 2.434 10 0 GEAEMO COc1cc(Br)c(CN2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)cc1OC ZINC000246910954 532544915 /nfs/dbraw/zinc/54/49/15/532544915.db2.gz AENXKAYPGQMWIP-STQMWFEESA-N 1 1 387.318 2.353 10 0 GEAEMO CC[C@@H]1CN([C@@H](C(N)=O)c2cccc(Br)c2)CC[N@H+]1CCOC ZINC000245913602 532526426 /nfs/dbraw/zinc/52/64/26/532526426.db2.gz VWJVEZAARYVRAP-HZPDHXFCSA-N 1 1 384.318 2.018 10 0 GEAEMO O=C(CN1CC[N@H+]2CCC[C@H]2C1)Nc1cccc(I)c1 ZINC000246252006 532534874 /nfs/dbraw/zinc/53/48/74/532534874.db2.gz FMMAQSNZIDKAAD-AWEZNQCLSA-N 1 1 385.249 2.010 10 0 GEAEMO C[C@H](O)C[N@@H+]1CCN(C(=O)C2(c3ccccc3Br)CC2)C[C@H]1C ZINC000249079382 532560771 /nfs/dbraw/zinc/56/07/71/532560771.db2.gz MJCPEYNJTVOSQL-KGLIPLIRSA-N 1 1 381.314 2.394 10 0 GEAEMO C[C@H](O)C[N@H+]1CCN(C(=O)C2(c3ccccc3Br)CC2)C[C@H]1C ZINC000249079382 532560779 /nfs/dbraw/zinc/56/07/79/532560779.db2.gz MJCPEYNJTVOSQL-KGLIPLIRSA-N 1 1 381.314 2.394 10 0 GEAEMO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)CNC(=O)c2ccc(Br)s2)C1 ZINC000247290367 532546480 /nfs/dbraw/zinc/54/64/80/532546480.db2.gz KTDQEAWTBQFDID-WDEREUQCSA-N 1 1 388.331 2.085 10 0 GEAEMO CCCNC(=O)[C@@H]1CCC[N@@H+](C[C@@H](O)COc2cccc(Br)c2)C1 ZINC000250486429 532570563 /nfs/dbraw/zinc/57/05/63/532570563.db2.gz LTFXONSZXQKXEW-GDBMZVCRSA-N 1 1 399.329 2.427 10 0 GEAEMO [NH3+]Cc1nc(CN2CCC(C(=O)Nc3ccccc3Br)CC2)no1 ZINC000261668676 532576162 /nfs/dbraw/zinc/57/61/62/532576162.db2.gz HKPOUKVJKIOOPV-UHFFFAOYSA-N 1 1 394.273 2.142 10 0 GEAEMO C[N@@H+]1CCO[C@@H]2CN(c3cnn(-c4ccc(Cl)cc4)c(=O)c3Cl)C[C@H]21 ZINC000301629266 532756444 /nfs/dbraw/zinc/75/64/44/532756444.db2.gz BXKIMVQYAIRNTH-HUUCEWRRSA-N 1 1 381.263 2.059 10 0 GEAEMO C[N@H+]1CCO[C@@H]2CN(c3cnn(-c4ccc(Cl)cc4)c(=O)c3Cl)C[C@H]21 ZINC000301629266 532756448 /nfs/dbraw/zinc/75/64/48/532756448.db2.gz BXKIMVQYAIRNTH-HUUCEWRRSA-N 1 1 381.263 2.059 10 0 GEAEMO Cn1nc(Br)c2c1ncnc2NCC1([N@@H+](C)CCO)CCCCC1 ZINC000301306114 532748510 /nfs/dbraw/zinc/74/85/10/532748510.db2.gz YHIHSCHJKOWEJD-UHFFFAOYSA-N 1 1 397.321 2.165 10 0 GEAEMO CC[N@H+]1CCC[C@H]1CNC(=O)c1c(OC)c(O)cc(Br)c1OC ZINC000005851773 204154394 /nfs/dbraw/zinc/15/43/94/204154394.db2.gz NLIPZVMIMUCCIK-JTQLQIEISA-N 1 1 387.274 2.386 10 0 GEAEMO O=C(C[C@@H]1C(=O)NCC[N@H+]1C1CCCC1)NCc1cccc(OC(F)(F)F)c1 ZINC000012300276 204390742 /nfs/dbraw/zinc/39/07/42/204390742.db2.gz AZGCOHUAMBULIC-MRXNPFEDSA-N 1 1 399.413 2.335 10 0 GEAEMO O[C@@H](COCc1ccccc1)C[N@@H+](CCN1CCOCC1)Cc1cccs1 ZINC000036103281 205006086 /nfs/dbraw/zinc/00/60/86/205006086.db2.gz QEDDGBOXNAYJCC-HXUWFJFHSA-N 1 1 390.549 2.460 10 0 GEAEMO Cc1ccc(C[N@@H+](CCN2CCOCC2)C[C@H](O)COCc2ccco2)cc1 ZINC000036101695 205006364 /nfs/dbraw/zinc/00/63/64/205006364.db2.gz RNAYDVSCOQYTHX-NRFANRHFSA-N 1 1 388.508 2.300 10 0 GEAEMO NC(=O)c1cccc(C[C@@H]2CC[N@@H+](CC(=O)N3CCOc4ccccc43)C2)c1 ZINC000072120908 205304252 /nfs/dbraw/zinc/30/42/52/205304252.db2.gz PISDRUNSUPFLCJ-KRWDZBQOSA-N 1 1 379.460 2.076 10 0 GEAEMO COCCC[N@@H+](Cc1nc2sc(C)c(C)c2c(=O)[nH]1)C[C@H](O)COC(C)C ZINC000036204690 570569054 /nfs/dbraw/zinc/56/90/54/570569054.db2.gz UKEZFXDYDUNRRW-HNNXBMFYSA-N 1 1 397.541 2.226 10 0 GEAEMO COCCC[N@H+](Cc1nc2sc(C)c(C)c2c(=O)[nH]1)C[C@H](O)COC(C)C ZINC000036204690 570569055 /nfs/dbraw/zinc/56/90/55/570569055.db2.gz UKEZFXDYDUNRRW-HNNXBMFYSA-N 1 1 397.541 2.226 10 0 GEAEMO CCCn1c(C[NH2+][C@@H]2CCCN(c3nccn(C)c3=O)C2)nc2ccccc21 ZINC000275713049 570699048 /nfs/dbraw/zinc/69/90/48/570699048.db2.gz YKOFGMSYCBRNEO-MRXNPFEDSA-N 1 1 380.496 2.299 10 0 GEAEMO COc1ccc(S(=O)(=O)N(C)C[C@@H]2CC[N@@H+](C)C2)cc1Br ZINC000071192994 643059558 /nfs/dbraw/zinc/05/95/58/643059558.db2.gz TVRHPVUGPOJUFC-LLVKDONJSA-N 1 1 377.304 2.030 10 0 GEAEMO C[C@@H](CS(C)(=O)=O)[N@H+](C[C@H](O)COCc1ccc(Cl)cc1)C1CC1 ZINC000113263397 643388367 /nfs/dbraw/zinc/38/83/67/643388367.db2.gz XOZOZFWSGMJCJG-GUYCJALGSA-N 1 1 375.918 2.115 10 0 GEAEMO C[C@@H](CS(C)(=O)=O)[N@@H+](C[C@H](O)COCc1ccc(Cl)cc1)C1CC1 ZINC000113263397 643388381 /nfs/dbraw/zinc/38/83/81/643388381.db2.gz XOZOZFWSGMJCJG-GUYCJALGSA-N 1 1 375.918 2.115 10 0 GEAEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1CC(=O)Nc1ccc(I)cc1 ZINC000113271207 643388935 /nfs/dbraw/zinc/38/89/35/643388935.db2.gz QFONVPHOYHELLF-SWLSCSKDSA-N 1 1 399.276 2.398 10 0 GEAEMO COCC[N@@H+]1CCN(C(=O)[C@@H](C)Oc2ccccc2Br)C[C@@H]1C ZINC000117288465 643486447 /nfs/dbraw/zinc/48/64/47/643486447.db2.gz YBKUBLVMRXPRIB-UONOGXRCSA-N 1 1 385.302 2.396 10 0 GEAEMO COCC[N@H+]1CCN(C(=O)[C@@H](C)Oc2ccccc2Br)C[C@@H]1C ZINC000117288465 643486452 /nfs/dbraw/zinc/48/64/52/643486452.db2.gz YBKUBLVMRXPRIB-UONOGXRCSA-N 1 1 385.302 2.396 10 0 GEAEMO COCC[N@@H+]1CCN(C(=O)c2ccccc2I)C[C@H]1C ZINC000117286556 643486552 /nfs/dbraw/zinc/48/65/52/643486552.db2.gz KSLWVELDCFAJQP-GFCCVEGCSA-N 1 1 388.249 2.084 10 0 GEAEMO COCC[N@H+]1CCN(C(=O)c2ccccc2I)C[C@H]1C ZINC000117286556 643486558 /nfs/dbraw/zinc/48/65/58/643486558.db2.gz KSLWVELDCFAJQP-GFCCVEGCSA-N 1 1 388.249 2.084 10 0 GEAEMO O[C@H](COc1cccc(Br)c1)C[N@H+]1CCC[C@H](C2OCCO2)C1 ZINC000171140437 644313690 /nfs/dbraw/zinc/31/36/90/644313690.db2.gz SMEAQRYBKBYKJX-ZFWWWQNUSA-N 1 1 386.286 2.274 10 0 GEAEMO C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000172806749 644344585 /nfs/dbraw/zinc/34/45/85/644344585.db2.gz AYLDZVYRBRJBQT-BBRMVZONSA-N 1 1 382.302 2.183 10 0 GEAEMO C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000172806749 644344592 /nfs/dbraw/zinc/34/45/92/644344592.db2.gz AYLDZVYRBRJBQT-BBRMVZONSA-N 1 1 382.302 2.183 10 0 GEAEMO Cc1cc(Br)ccc1NC(=O)C[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000172806327 644344967 /nfs/dbraw/zinc/34/49/67/644344967.db2.gz MCWOIBWRDZYITH-HNNXBMFYSA-N 1 1 382.302 2.103 10 0 GEAEMO Cc1cc(Br)ccc1NC(=O)C[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000172806327 644344969 /nfs/dbraw/zinc/34/49/69/644344969.db2.gz MCWOIBWRDZYITH-HNNXBMFYSA-N 1 1 382.302 2.103 10 0 GEAEMO CC[C@@H](O)C[NH+]1CCN(C(=O)NCCc2ccc(Br)s2)CC1 ZINC000184773708 645026152 /nfs/dbraw/zinc/02/61/52/645026152.db2.gz PDYWOJAQHKVADK-GFCCVEGCSA-N 1 1 390.347 2.151 10 0 GEAEMO CCS(=O)(=O)C1CC[NH+](C[C@@H](O)COCc2ccc(Cl)cc2)CC1 ZINC000193259612 645257220 /nfs/dbraw/zinc/25/72/20/645257220.db2.gz QPRISUKTJZNSMM-MRXNPFEDSA-N 1 1 375.918 2.117 10 0 GEAEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccc(I)c(O)c1 ZINC000230894627 645402093 /nfs/dbraw/zinc/40/20/93/645402093.db2.gz OBVJGERHXTXYTK-CMPLNLGQSA-N 1 1 386.233 2.306 10 0 GEAEMO NC(=O)CC[C@@H]1CCC[N@@H+](C[C@@H](O)COc2cccc(Br)c2)C1 ZINC000245400026 645453126 /nfs/dbraw/zinc/45/31/26/645453126.db2.gz XHUHTTKHDFWUPC-DZGCQCFKSA-N 1 1 385.302 2.166 10 0 GEAEMO COc1ccc(Br)c(S(=O)(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)c1 ZINC000245430591 645455003 /nfs/dbraw/zinc/45/50/03/645455003.db2.gz ZVMCDGFXEGUBLE-BXUZGUMPSA-N 1 1 391.331 2.465 10 0 GEAEMO C[C@H]1C[N@H+](Cc2cc(Br)c3c(c2)OCCO3)C[C@H]1N1CCOCC1 ZINC000245752340 645467851 /nfs/dbraw/zinc/46/78/51/645467851.db2.gz OARLIYDHWBIPEB-XJKSGUPXSA-N 1 1 397.313 2.373 10 0 GEAEMO C[C@H]1C[N@@H+](Cc2cc(Br)c3c(c2)OCCO3)C[C@H]1N1CCOCC1 ZINC000245752340 645467856 /nfs/dbraw/zinc/46/78/56/645467856.db2.gz OARLIYDHWBIPEB-XJKSGUPXSA-N 1 1 397.313 2.373 10 0 GEAEMO C[C@H]1CN(Cc2cc(Br)c3c(c2)OCCO3)C[C@H]1[NH+]1CCOCC1 ZINC000245752340 645467865 /nfs/dbraw/zinc/46/78/65/645467865.db2.gz OARLIYDHWBIPEB-XJKSGUPXSA-N 1 1 397.313 2.373 10 0 GEAEMO COC(=O)[C@H](c1cccc(Br)c1)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000245859868 645471025 /nfs/dbraw/zinc/47/10/25/645471025.db2.gz FFEAKBMBTJDDSD-XKQJLSEDSA-N 1 1 397.313 2.316 10 0 GEAEMO 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/nfs/dbraw/zinc/21/80/80/532218080.db2.gz DSWDKXNHNPFDFF-RDJZCZTQSA-N 1 1 388.302 2.316 10 0 GEAEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cc(I)ccc1O ZINC000179498001 532232475 /nfs/dbraw/zinc/23/24/75/532232475.db2.gz KWZFYBTVWQRLOQ-CMPLNLGQSA-N 1 1 386.233 2.306 10 0 GEAEMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)c1cnn2cc(Br)cnc12 ZINC000179730687 532241757 /nfs/dbraw/zinc/24/17/57/532241757.db2.gz HPBFWIPZLKUPRM-CYBMUJFWSA-N 1 1 389.257 2.302 10 0 GEAEMO COC(=O)c1sccc1S(=O)(=O)N[C@@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000180834139 532282840 /nfs/dbraw/zinc/28/28/40/532282840.db2.gz RBOWYGMNMZIZNQ-ZDUSSCGKSA-N 1 1 382.507 2.334 10 0 GEAEMO CC[C@@H](O)C[NH+]1CCN(C(=O)N[C@@H](C)Cc2ccc(Br)cc2)CC1 ZINC000184878184 532335579 /nfs/dbraw/zinc/33/55/79/532335579.db2.gz KCSGBJLHBJSGLU-WMLDXEAASA-N 1 1 398.345 2.478 10 0 GEAEMO COC(=O)c1scc(C)c1S(=O)(=O)N1CCC[C@H]1Cn1cc[nH+]c1C ZINC000190172178 532355030 /nfs/dbraw/zinc/35/50/30/532355030.db2.gz JEUVVIHAMLZLHR-ZDUSSCGKSA-N 1 1 383.495 2.201 10 0 GEAEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(Br)cn1 ZINC000193631507 532427627 /nfs/dbraw/zinc/42/76/27/532427627.db2.gz VPRSAUVZJCUTRA-CYBMUJFWSA-N 1 1 383.290 2.019 10 0 GEAEMO CCOCC[N@@H+]1CCN([C@@H](C(N)=O)c2cccc(Br)c2)C[C@H]1C ZINC000245733976 532523745 /nfs/dbraw/zinc/52/37/45/532523745.db2.gz CRYZSMYCPPZZKV-CZUORRHYSA-N 1 1 384.318 2.018 10 0 GEAEMO CCOCC[N@H+]1CCN([C@@H](C(N)=O)c2cccc(Br)c2)C[C@H]1C ZINC000245733976 532523751 /nfs/dbraw/zinc/52/37/51/532523751.db2.gz CRYZSMYCPPZZKV-CZUORRHYSA-N 1 1 384.318 2.018 10 0 GEAEMO CC[N@H+](CC(=O)[O-])C1CC([NH2+]Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000263535150 532629448 /nfs/dbraw/zinc/62/94/48/532629448.db2.gz YTKVFAWLZKIWAZ-UHFFFAOYSA-N 1 1 399.285 2.247 10 0 GEAEMO CC[N@@H+](CC(=O)[O-])C1CC([NH2+]Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000263535150 532629454 /nfs/dbraw/zinc/62/94/54/532629454.db2.gz YTKVFAWLZKIWAZ-UHFFFAOYSA-N 1 1 399.285 2.247 10 0 GEAEMO [NH3+][C@H](CSc1ccccc1)[C@H](O)C[N@H+]1C[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC000256016309 206288204 /nfs/dbraw/zinc/28/82/04/206288204.db2.gz ZPUBJRYDIOHUPW-NXJYUQPGSA-N 1 1 378.538 2.432 10 0 GEAEMO O[C@@H](COc1ccc(CN2CCOCC2)cc1)C[N@H+]1CCc2ccccc2C1 ZINC000015075297 207046000 /nfs/dbraw/zinc/04/60/00/207046000.db2.gz MTCTZZLMLFXYRH-JOCHJYFZSA-N 1 1 382.504 2.317 10 0 GEAEMO COC(=O)c1c(OC2CCCC2)cc(=O)n2c1CC[N@H+](Cc1cccnc1)CC2 ZINC000019836198 207164671 /nfs/dbraw/zinc/16/46/71/207164671.db2.gz DDVKZOXIXRJHJN-UHFFFAOYSA-N 1 1 397.475 2.410 10 0 GEAEMO COC(=O)c1c(OC2CCCC2)cc(=O)n2c1CC[N@@H+](Cc1cccnc1)CC2 ZINC000019836198 207164674 /nfs/dbraw/zinc/16/46/74/207164674.db2.gz DDVKZOXIXRJHJN-UHFFFAOYSA-N 1 1 397.475 2.410 10 0 GEAEMO Cc1noc2ncnc(N3CCC(C(=O)NCC[N@@H+]4CCCC[C@@H]4C)CC3)c12 ZINC000020944881 207221775 /nfs/dbraw/zinc/22/17/75/207221775.db2.gz BNVVMWWAOHWJIM-AWEZNQCLSA-N 1 1 386.500 2.133 10 0 GEAEMO CC(=O)N[C@@H]1CC[N@@H+](Cc2cccc(-c3nc(-c4ccncc4)cc(=O)[nH]3)c2)C1 ZINC000023478666 207277341 /nfs/dbraw/zinc/27/73/41/207277341.db2.gz WMNWGEKECDFPKB-LJQANCHMSA-N 1 1 389.459 2.209 10 0 GEAEMO O=C(C1CCC1)N1CCc2nc[nH]c2C12CC[NH+](Cc1ccc(CO)o1)CC2 ZINC000091587464 208124709 /nfs/dbraw/zinc/12/47/09/208124709.db2.gz XASPTCAQZHLZLK-UHFFFAOYSA-N 1 1 384.480 2.171 10 0 GEAEMO Cc1cc(C)n(-c2ccc(CNC(=O)C3([NH+]4CCN(C)CC4)CCCC3)cn2)n1 ZINC000095405484 208179491 /nfs/dbraw/zinc/17/94/91/208179491.db2.gz PGGVQMDONVCVSL-UHFFFAOYSA-N 1 1 396.539 2.061 10 0 GEAEMO CCCC[N@@H+](C)CCCNC(=O)CN1N=C(c2ccc(OC)cc2)CCC1=O ZINC000004712581 570988609 /nfs/dbraw/zinc/98/86/09/570988609.db2.gz PGMMVSZSQRTLND-UHFFFAOYSA-N 1 1 388.512 2.260 10 0 GEAEMO C[C@@H](O)C[N@H+]1CCN(CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)C[C@@H]1C ZINC000106098149 643220859 /nfs/dbraw/zinc/22/08/59/643220859.db2.gz SRXRUBLKHXQXDQ-UONOGXRCSA-N 1 1 388.339 2.339 10 0 GEAEMO COCC[N@@H+]1CCN(CC(=O)N[C@@H](C)c2ccc(Br)cc2)C[C@@H]1C ZINC000106109529 643223261 /nfs/dbraw/zinc/22/32/61/643223261.db2.gz FXLMMKQFXATVSG-GJZGRUSLSA-N 1 1 398.345 2.279 10 0 GEAEMO COCC[N@H+]1CCN(CC(=O)N[C@@H](C)c2ccc(Br)cc2)C[C@@H]1C ZINC000106109529 643223262 /nfs/dbraw/zinc/22/32/62/643223262.db2.gz FXLMMKQFXATVSG-GJZGRUSLSA-N 1 1 398.345 2.279 10 0 GEAEMO COCC[N@@H+]1CCN(CC(=O)Nc2ccc(Br)cc2F)C[C@@H]1C ZINC000106109778 643223423 /nfs/dbraw/zinc/22/34/23/643223423.db2.gz KPMQCOREAZCLBT-LBPRGKRZSA-N 1 1 388.281 2.179 10 0 GEAEMO COCC[N@H+]1CCN(CC(=O)Nc2ccc(Br)cc2F)C[C@@H]1C ZINC000106109778 643223430 /nfs/dbraw/zinc/22/34/30/643223430.db2.gz KPMQCOREAZCLBT-LBPRGKRZSA-N 1 1 388.281 2.179 10 0 GEAEMO CC[C@@H]1CN(CC(=O)Nc2ccccc2Br)CC[N@H+]1CCOC ZINC000106114827 643224247 /nfs/dbraw/zinc/22/42/47/643224247.db2.gz CWDSPXOVPZTSGP-CQSZACIVSA-N 1 1 384.318 2.430 10 0 GEAEMO C[C@H](O)C[NH+]1CCC(CN(C)[C@H](C(N)=O)c2ccc(Br)cc2)CC1 ZINC000106124409 643224408 /nfs/dbraw/zinc/22/44/08/643224408.db2.gz ROFAKFJASOSBDP-GUYCJALGSA-N 1 1 398.345 2.000 10 0 GEAEMO CC[C@H](O)C[NH+]1CCN(C(=O)C2(c3cccc(Br)c3)CC2)CC1 ZINC000106394641 643230143 /nfs/dbraw/zinc/23/01/43/643230143.db2.gz USEKLNIGFHEEEE-INIZCTEOSA-N 1 1 381.314 2.396 10 0 GEAEMO CC[C@@H]1CN(C(=O)COc2ccccc2Br)CC[N@H+]1C[C@@H](C)O ZINC000119664655 643564524 /nfs/dbraw/zinc/56/45/24/643564524.db2.gz CNWAWBQGUOKRIT-ZIAGYGMSSA-N 1 1 385.302 2.132 10 0 GEAEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(Br)cc1F ZINC000154534418 644049629 /nfs/dbraw/zinc/04/96/29/644049629.db2.gz OPNONWXKJIHGEV-CMPLNLGQSA-N 1 1 377.279 2.445 10 0 GEAEMO CC[C@@H](O)C[NH+]1CCN(C(=O)N[C@@H](C)Cc2ccccc2Br)CC1 ZINC000181986351 644953921 /nfs/dbraw/zinc/95/39/21/644953921.db2.gz RHEAPJKWQAADAT-GOEBONIOSA-N 1 1 398.345 2.478 10 0 GEAEMO COCC[N@H+]1CCN(C[C@H](O)c2ccc(F)c(Br)c2)C[C@@H]1C ZINC000185001511 645032241 /nfs/dbraw/zinc/03/22/41/645032241.db2.gz WIKSQDFDAMEWSL-LRDDRELGSA-N 1 1 375.282 2.274 10 0 GEAEMO C[N@H+](Cc1cccnc1)C[C@H]1CCN(S(=O)(=O)c2ccc(Cl)nc2)C1 ZINC000192938516 645232978 /nfs/dbraw/zinc/23/29/78/645232978.db2.gz CSPQQJFGVPUDPF-OAHLLOKOSA-N 1 1 380.901 2.273 10 0 GEAEMO Cc1ncsc1CN(C)C[C@@H]1CC[N@@H+](CCCNC(=O)C(F)(F)F)C1 ZINC000195254647 645366517 /nfs/dbraw/zinc/36/65/17/645366517.db2.gz HOWUCIXDLSOYMB-ZDUSSCGKSA-N 1 1 378.464 2.274 10 0 GEAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccc(I)c(O)c1 ZINC000230894624 645401907 /nfs/dbraw/zinc/40/19/07/645401907.db2.gz OBVJGERHXTXYTK-ZYHUDNBSSA-N 1 1 386.233 2.306 10 0 GEAEMO COc1cc(S(=O)(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)ccc1Br ZINC000245426448 645454247 /nfs/dbraw/zinc/45/42/47/645454247.db2.gz UZSJDGZHKJPDJD-RYUDHWBXSA-N 1 1 389.315 2.315 10 0 GEAEMO COCC[N@@H+]1CCN(C(=O)[C@H]2COc3ccc(Br)cc32)C[C@H]1C ZINC000245622150 645462471 /nfs/dbraw/zinc/46/24/71/645462471.db2.gz FKBDUIAMQCSXOW-DOMZBBRYSA-N 1 1 383.286 2.104 10 0 GEAEMO COCC[N@H+]1CCN(C(=O)[C@H]2COc3ccc(Br)cc32)C[C@H]1C ZINC000245622150 645462473 /nfs/dbraw/zinc/46/24/73/645462473.db2.gz FKBDUIAMQCSXOW-DOMZBBRYSA-N 1 1 383.286 2.104 10 0 GEAEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1nnnn1-c1ccccc1Br ZINC000246358407 645481537 /nfs/dbraw/zinc/48/15/37/645481537.db2.gz WYGCSGKKPGIDRW-KGLIPLIRSA-N 1 1 391.317 2.483 10 0 GEAEMO C[C@H](C(=O)Nc1cccc(I)c1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000246774098 645493615 /nfs/dbraw/zinc/49/36/15/645493615.db2.gz YWUSBGCSEPQOEB-DOMZBBRYSA-N 1 1 399.276 2.398 10 0 GEAEMO O[C@@H](COc1ccc(Cl)cc1Cl)C[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000246805347 645495490 /nfs/dbraw/zinc/49/54/90/645495490.db2.gz BHOOMVROUTYYLI-HUUCEWRRSA-N 1 1 375.296 2.140 10 0 GEAEMO C[C@H](O)C[N@H+]1CCN(C[C@@H](O)COc2c(Cl)cccc2Cl)C[C@H]1C ZINC000247808129 645519571 /nfs/dbraw/zinc/51/95/71/645519571.db2.gz UAFUKOGUMCZQHR-HZSPNIEDSA-N 1 1 377.312 2.120 10 0 GEAEMO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1C[C@H](O)COc1cccc(Br)c1 ZINC000248812706 645539688 /nfs/dbraw/zinc/53/96/88/645539688.db2.gz HYVZVPXKURUDAT-SDNTUTLCSA-N 1 1 398.297 2.462 10 0 GEAEMO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1C[C@H](O)COc1cccc(Br)c1 ZINC000248812706 645539694 /nfs/dbraw/zinc/53/96/94/645539694.db2.gz HYVZVPXKURUDAT-SDNTUTLCSA-N 1 1 398.297 2.462 10 0 GEAEMO Cc1ccc(NC(=O)C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)c(Br)c1 ZINC000249214702 645550158 /nfs/dbraw/zinc/55/01/58/645550158.db2.gz SXFVVCCUFHXLMY-CHWSQXEVSA-N 1 1 380.286 2.391 10 0 GEAEMO O=C([C@H]1CCN(c2cccc(Br)c2)C1=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000249820669 645561282 /nfs/dbraw/zinc/56/12/82/645561282.db2.gz GHNPPJXIGBRITG-JKSUJKDBSA-N 1 1 392.297 2.109 10 0 GEAEMO CN(C[C@@H]1CCc2[nH+]ccn2C1)S(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000328620905 647311026 /nfs/dbraw/zinc/31/10/26/647311026.db2.gz HJZZSTJMEMCYQG-LBPRGKRZSA-N 1 1 379.873 2.067 10 0 GEAEMO NC(=O)CC[C@H]1CCC[N@@H+](C[C@H](O)COc2cccc(Br)c2)C1 ZINC000170731726 531890881 /nfs/dbraw/zinc/89/08/81/531890881.db2.gz XHUHTTKHDFWUPC-HIFRSBDPSA-N 1 1 385.302 2.166 10 0 GEAEMO COCC[N@H+]1CCN([C@H](C(=O)OC)c2cccc(Br)c2)C[C@@H]1C ZINC000120864239 532000654 /nfs/dbraw/zinc/00/06/54/532000654.db2.gz PRXUNZUQBZECAI-BBRMVZONSA-N 1 1 385.302 2.316 10 0 GEAEMO Cc1[nH+]ccn1C[C@@H]1CCCN1S(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000173743971 532031156 /nfs/dbraw/zinc/03/11/56/532031156.db2.gz VSAWCGOQVAPGBG-ZDUSSCGKSA-N 1 1 379.873 2.346 10 0 GEAEMO CC(C)[N@@H+]1C[C@H](NC(=O)c2cc(Cn3cc(Br)cn3)on2)[C@@H](C)C1 ZINC000122129051 532058161 /nfs/dbraw/zinc/05/81/61/532058161.db2.gz KWXDGDRDPCMAIV-NHYWBVRUSA-N 1 1 396.289 2.140 10 0 GEAEMO C[C@@H](O)C[N@H+]1CCN(C(=O)CCc2cc(Br)cs2)C[C@@H]1C ZINC000174305111 532060054 /nfs/dbraw/zinc/06/00/54/532060054.db2.gz NGVZFCRPCQAQBS-NWDGAFQWSA-N 1 1 375.332 2.357 10 0 GEAEMO CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cc(F)c(Br)cc2F)C1 ZINC000122766820 532082521 /nfs/dbraw/zinc/08/25/21/532082521.db2.gz GIOOYVDBTPISNI-SECBINFHSA-N 1 1 390.228 2.266 10 0 GEAEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1ccc(F)cc1Br ZINC000176901291 532154221 /nfs/dbraw/zinc/15/42/21/532154221.db2.gz JFUCKBOLDHYTOL-GFCCVEGCSA-N 1 1 386.265 2.469 10 0 GEAEMO Cc1cc(Br)ccc1NC(=O)C[N@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000177258050 532166565 /nfs/dbraw/zinc/16/65/65/532166565.db2.gz AHTHBWSTHNVVFG-RHSMWYFYSA-N 1 1 396.329 2.349 10 0 GEAEMO Cc1cc(Br)ccc1NC(=O)C[N@@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000177258050 532166566 /nfs/dbraw/zinc/16/65/66/532166566.db2.gz AHTHBWSTHNVVFG-RHSMWYFYSA-N 1 1 396.329 2.349 10 0 GEAEMO COc1ccc(C(=O)N2CC[N@H+]3CCC[C@H]3C2)cc1I ZINC000178231787 532197232 /nfs/dbraw/zinc/19/72/32/532197232.db2.gz SYAAGENWIGIJTQ-LBPRGKRZSA-N 1 1 386.233 2.220 10 0 GEAEMO C[C@@H]([NH2+]CCNS(=O)(=O)c1cnn(C)c1)c1c(Cl)ccc(F)c1Cl ZINC000179540213 532234984 /nfs/dbraw/zinc/23/49/84/532234984.db2.gz OMESCUDMKFRNGL-SECBINFHSA-N 1 1 395.287 2.495 10 0 GEAEMO CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(Cl)c(OC(F)F)c2)C1 ZINC000181741413 532305876 /nfs/dbraw/zinc/30/58/76/532305876.db2.gz YCVBQGNPNBQGGT-NSHDSACASA-N 1 1 375.803 2.480 10 0 GEAEMO Cc1cc(Br)ccc1CC(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000182224061 532310753 /nfs/dbraw/zinc/31/07/53/532310753.db2.gz JXZGKGOUHMYAJD-YOEHRIQHSA-N 1 1 381.314 2.479 10 0 GEAEMO CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cc(F)c(Br)cc2C)C1 ZINC000187127695 532343242 /nfs/dbraw/zinc/34/32/42/532343242.db2.gz BQOLFTKHISBGFR-LLVKDONJSA-N 1 1 386.265 2.436 10 0 GEAEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000183607267 532326455 /nfs/dbraw/zinc/32/64/55/532326455.db2.gz YFFPPUJORGMRQQ-WDEREUQCSA-N 1 1 394.269 2.089 10 0 GEAEMO CN(C)S(=O)(=O)c1cccc(C[N@@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)c1 ZINC000188123116 532346766 /nfs/dbraw/zinc/34/67/66/532346766.db2.gz TXYYTQJGZFPEGN-WMZOPIPTSA-N 1 1 380.535 2.206 10 0 GEAEMO C[C@H]1C(=O)NCCC[N@@H+]1CCCOc1cccc(I)c1 ZINC000189102679 532350945 /nfs/dbraw/zinc/35/09/45/532350945.db2.gz VGJUMFFSNCELMA-LBPRGKRZSA-N 1 1 388.249 2.271 10 0 GEAEMO CC[C@@H](C)CS(=O)(=O)N1CCC[C@H]([N@H+](C)CC(=O)OC(C)(C)C)CC1 ZINC000192232293 532396328 /nfs/dbraw/zinc/39/63/28/532396328.db2.gz URFAWGHMBJENRV-CVEARBPZSA-N 1 1 376.563 2.490 10 0 GEAEMO CC[C@@H](C)CS(=O)(=O)N1CCC[C@H]([N@@H+](C)CC(=O)OC(C)(C)C)CC1 ZINC000192232293 532396333 /nfs/dbraw/zinc/39/63/33/532396333.db2.gz URFAWGHMBJENRV-CVEARBPZSA-N 1 1 376.563 2.490 10 0 GEAEMO CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000194150904 532441960 /nfs/dbraw/zinc/44/19/60/532441960.db2.gz WODCQSYHJYKXDF-LLVKDONJSA-N 1 1 375.803 2.480 10 0 GEAEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1CCS(=O)(=O)c1cccc(Br)c1 ZINC000246488960 532540030 /nfs/dbraw/zinc/54/00/30/532540030.db2.gz IFZLYPGSNVAERH-ZFWWWQNUSA-N 1 1 387.343 2.391 10 0 GEAEMO C[C@@H]1C[N@H+](Cc2cc3c(cc2Br)OCO3)C[C@H]1N1CCOCC1 ZINC000246631555 532543264 /nfs/dbraw/zinc/54/32/64/532543264.db2.gz ZMRFEPVTJSJTJY-IUODEOHRSA-N 1 1 383.286 2.330 10 0 GEAEMO C[C@@H]1C[N@@H+](Cc2cc3c(cc2Br)OCO3)C[C@H]1N1CCOCC1 ZINC000246631555 532543270 /nfs/dbraw/zinc/54/32/70/532543270.db2.gz ZMRFEPVTJSJTJY-IUODEOHRSA-N 1 1 383.286 2.330 10 0 GEAEMO COCC[N@@H+]1CCN(C(=O)[C@H](C)Oc2ccccc2Br)C[C@@H]1C ZINC000247255207 532546157 /nfs/dbraw/zinc/54/61/57/532546157.db2.gz YBKUBLVMRXPRIB-KBPBESRZSA-N 1 1 385.302 2.396 10 0 GEAEMO COCC[N@H+]1CCN(C(=O)[C@H](C)Oc2ccccc2Br)C[C@@H]1C ZINC000247255207 532546164 /nfs/dbraw/zinc/54/61/64/532546164.db2.gz YBKUBLVMRXPRIB-KBPBESRZSA-N 1 1 385.302 2.396 10 0 GEAEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccc(I)c(O)c1 ZINC000300416434 532739234 /nfs/dbraw/zinc/73/92/34/532739234.db2.gz OBVJGERHXTXYTK-JQWIXIFHSA-N 1 1 386.233 2.306 10 0 GEAEMO OCCOCC[NH+]1CCN([C@@H](c2ccc(Cl)cc2)c2ccccn2)CC1 ZINC000022463097 206298263 /nfs/dbraw/zinc/29/82/63/206298263.db2.gz CQMJYIJMUFRNKJ-FQEVSTJZSA-N 1 1 375.900 2.451 10 0 in-man GEAEMO CCn1nc(C(=O)N2CCCN(C)CC2)c2c1CC[C@H]([N@H+](C)CC(C)C)C2 ZINC000014744726 207028053 /nfs/dbraw/zinc/02/80/53/207028053.db2.gz SESDQNMBGAZAHD-KRWDZBQOSA-N 1 1 375.561 2.126 10 0 GEAEMO CCn1nc(C(=O)N2CCCN(C)CC2)c2c1CC[C@H]([N@@H+](C)CC(C)C)C2 ZINC000014744726 207028056 /nfs/dbraw/zinc/02/80/56/207028056.db2.gz SESDQNMBGAZAHD-KRWDZBQOSA-N 1 1 375.561 2.126 10 0 GEAEMO CC(=O)N[C@H](CC(C)C)c1nnc2n1CC[N@H+](Cc1ccc3c(c1)OCO3)CC2 ZINC000014962899 207035479 /nfs/dbraw/zinc/03/54/79/207035479.db2.gz CAPBJPGKBXOBPE-QGZVFWFLSA-N 1 1 399.495 2.288 10 0 GEAEMO CCn1nc(C(=O)N2CCCN(C)CC2)c2c1CC[C@H]([NH2+]Cc1ccc(C)o1)C2 ZINC000014752045 207029443 /nfs/dbraw/zinc/02/94/43/207029443.db2.gz XPPZJVIRESZLPK-KRWDZBQOSA-N 1 1 399.539 2.229 10 0 GEAEMO [NH3+][C@@H](CSc1ccccc1)[C@H](O)C[N@H+]1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC000022048465 207247142 /nfs/dbraw/zinc/24/71/42/207247142.db2.gz ZPUBJRYDIOHUPW-HAYURNKSSA-N 1 1 378.538 2.432 10 0 in-vitro GEAEMO O=C(NCc1ccncc1)c1coc(CN2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000023373090 207276232 /nfs/dbraw/zinc/27/62/32/207276232.db2.gz UZVUHZGBAAUZDE-UHFFFAOYSA-N 1 1 391.475 2.317 10 0 GEAEMO CCC[N@H+]1C[C@@H](NS(=O)(=O)N(CC)CC)C[C@@H]2Cc3c(O)cccc3C[C@@H]21 ZINC000031274831 207380676 /nfs/dbraw/zinc/38/06/76/207380676.db2.gz GDFGTRDCCWFXTG-AOIWGVFYSA-N 1 1 395.569 2.136 10 0 in-man GEAEMO COc1ccc2c(c1)[C@H](C(=O)N1CCC[N@H+](Cc3ccncc3)CC1)CC(=O)N2 ZINC000091518760 208122752 /nfs/dbraw/zinc/12/27/52/208122752.db2.gz SYPLKPBMVFBNQP-LJQANCHMSA-N 1 1 394.475 2.251 10 0 GEAEMO COc1ccc2c(c1)[C@H](C(=O)N1CCC[N@@H+](Cc3ccncc3)CC1)CC(=O)N2 ZINC000091518760 208122758 /nfs/dbraw/zinc/12/27/58/208122758.db2.gz SYPLKPBMVFBNQP-LJQANCHMSA-N 1 1 394.475 2.251 10 0 GEAEMO NC(=O)C[NH+]1CCC(C(=O)NCc2ccccc2OCc2ccccc2)CC1 ZINC000097217584 208342365 /nfs/dbraw/zinc/34/23/65/208342365.db2.gz WYRVMTSFCJKKHR-UHFFFAOYSA-N 1 1 381.476 2.079 10 0 GEAEMO CNc1nc(N2CCC(CC(=O)NCCOc3ccccc3OC)CC2)cc[nH+]1 ZINC000065282108 136162395 /nfs/dbraw/zinc/16/23/95/136162395.db2.gz KKVDAMFSBLKGHA-UHFFFAOYSA-N 1 1 399.495 2.329 10 0 GEAEMO CN1CCN(C(=O)c2cn(CC[N@@H+](C)Cc3cc4ccccc4s3)nn2)CC1 ZINC000299755312 209083232 /nfs/dbraw/zinc/08/32/32/209083232.db2.gz GVKARZZXZWZIDA-UHFFFAOYSA-N 1 1 398.536 2.012 10 0 GEAEMO Cc1ccc(NC(=O)c2ccccc2)c(NC(=O)C2CC[NH+](CC(N)=O)CC2)c1 ZINC000055107483 570683036 /nfs/dbraw/zinc/68/30/36/570683036.db2.gz HBVXXWFEGOGZEG-UHFFFAOYSA-N 1 1 394.475 2.383 10 0 GEAEMO CC(C)c1ccccc1NC(=O)CCC(=O)NCC[N@H+]1CCCC[C@@H]1CO ZINC000055341037 570691809 /nfs/dbraw/zinc/69/18/09/570691809.db2.gz OBRGXLNVDJQTDO-QGZVFWFLSA-N 1 1 375.513 2.492 10 0 GEAEMO C[C@H](C(=O)NC[C@H]1CCCO1)[N@@H+](C)C[C@@H]1CCc2nc(C(F)(F)F)cn2C1 ZINC000583615012 570799968 /nfs/dbraw/zinc/79/99/68/570799968.db2.gz MELPXSTYIKFLHM-HZSPNIEDSA-N 1 1 388.434 2.080 10 0 GEAEMO Cc1cc(C[N@H+]2CCC[C@@H](n3ncc(N4CCC(O)CC4)cc3=O)C2)c(C)o1 ZINC000583618333 570800515 /nfs/dbraw/zinc/80/05/15/570800515.db2.gz OTJJKKJOINZAJB-GOSISDBHSA-N 1 1 386.496 2.251 10 0 GEAEMO COCCN(C)c1cnn([C@H]2CCC[N@@H+](CCc3cccs3)C2)c(=O)c1 ZINC000583619572 570800535 /nfs/dbraw/zinc/80/05/35/570800535.db2.gz UWGASLBRZWUNAM-INIZCTEOSA-N 1 1 376.526 2.267 10 0 GEAEMO CN(C[C@H]1CC[N@@H+](C)C1)C(=O)c1cccc(F)c1I ZINC000533543992 650761842 /nfs/dbraw/zinc/76/18/42/650761842.db2.gz IZZIDQIXOYOPMY-JTQLQIEISA-N 1 1 376.213 2.454 10 0 GEAEMO CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2ccc(I)cc2)C1 ZINC000048841477 642662824 /nfs/dbraw/zinc/66/28/24/642662824.db2.gz SHCNVCMXMCNGFV-GFCCVEGCSA-N 1 1 394.278 2.054 10 0 GEAEMO CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2ccc(I)cc2)C1 ZINC000048841477 642662831 /nfs/dbraw/zinc/66/28/31/642662831.db2.gz SHCNVCMXMCNGFV-GFCCVEGCSA-N 1 1 394.278 2.054 10 0 GEAEMO CC(=O)N[C@@H]1CCC[N@@H+](Cn2ccc(=O)c3cccc(Br)c32)C1 ZINC000105604436 643211387 /nfs/dbraw/zinc/21/13/87/643211387.db2.gz LKYXNXHPPJFTKF-CYBMUJFWSA-N 1 1 378.270 2.322 10 0 GEAEMO COc1ccc(CN2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)c(Br)c1OC ZINC000106097759 643220641 /nfs/dbraw/zinc/22/06/41/643220641.db2.gz FQWAEILEEUMTEK-CHWSQXEVSA-N 1 1 387.318 2.353 10 0 GEAEMO CC[C@H](O)C[NH+]1CCN(C(=O)[C@H](C)Oc2ccccc2Br)CC1 ZINC000112294497 643358132 /nfs/dbraw/zinc/35/81/32/643358132.db2.gz VMSABCBMOYSMIO-KBPBESRZSA-N 1 1 385.302 2.132 10 0 GEAEMO CCOCC[N@@H+]1CCN(C(=O)c2cc(Br)cnc2N(C)C)C[C@@H]1C ZINC000117277881 643485801 /nfs/dbraw/zinc/48/58/01/643485801.db2.gz FFDBWPHODBOUOH-ZDUSSCGKSA-N 1 1 399.333 2.093 10 0 GEAEMO CCOCC[N@H+]1CCN(C(=O)c2cc(Br)cnc2N(C)C)C[C@@H]1C ZINC000117277881 643485804 /nfs/dbraw/zinc/48/58/04/643485804.db2.gz FFDBWPHODBOUOH-ZDUSSCGKSA-N 1 1 399.333 2.093 10 0 GEAEMO CC[C@@H]1CN(C(=O)c2cc(Br)cnc2N(C)C)CC[N@@H+]1CCOC ZINC000117302669 643486415 /nfs/dbraw/zinc/48/64/15/643486415.db2.gz BJDCPTQHSNXZTN-CQSZACIVSA-N 1 1 399.333 2.093 10 0 GEAEMO CC[C@@H]1CN(C(=O)c2cc(Br)cnc2N(C)C)CC[N@H+]1CCOC ZINC000117302669 643486419 /nfs/dbraw/zinc/48/64/19/643486419.db2.gz BJDCPTQHSNXZTN-CQSZACIVSA-N 1 1 399.333 2.093 10 0 GEAEMO COCC[N@@H+]1CCN(C(=O)NCc2cc(Br)cs2)C[C@@H]1C ZINC000117480990 643491847 /nfs/dbraw/zinc/49/18/47/643491847.db2.gz QGXDEYQLQDRYIH-NSHDSACASA-N 1 1 376.320 2.373 10 0 GEAEMO COCC[N@H+]1CCN(C(=O)NCc2cc(Br)cs2)C[C@@H]1C ZINC000117480990 643491854 /nfs/dbraw/zinc/49/18/54/643491854.db2.gz QGXDEYQLQDRYIH-NSHDSACASA-N 1 1 376.320 2.373 10 0 GEAEMO CC[C@H](O)CN1CC[NH+](CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000118857541 643524955 /nfs/dbraw/zinc/52/49/55/643524955.db2.gz NOIQXNYYUHNPOI-INIZCTEOSA-N 1 1 384.318 2.166 10 0 GEAEMO O=C(c1ccc(Br)cc1-n1cncn1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000119552256 643557228 /nfs/dbraw/zinc/55/72/28/643557228.db2.gz XJDAZTDWUWLECI-AWEZNQCLSA-N 1 1 390.285 2.340 10 0 GEAEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1cc(F)ccc1Br ZINC000119921010 643579419 /nfs/dbraw/zinc/57/94/19/643579419.db2.gz NPPZUHGFVGQZSZ-GFCCVEGCSA-N 1 1 386.265 2.469 10 0 GEAEMO C[C@@H](O)C[N@@H+]1CCN(C(=O)CSc2cccc(Br)c2)C[C@H]1C ZINC000125168565 643701871 /nfs/dbraw/zinc/70/18/71/643701871.db2.gz BJZNJWYTCUSPCI-CHWSQXEVSA-N 1 1 387.343 2.455 10 0 GEAEMO C[C@@H](O)C[N@H+]1CCN(C(=O)CSc2cccc(Br)c2)C[C@H]1C ZINC000125168565 643701875 /nfs/dbraw/zinc/70/18/75/643701875.db2.gz BJZNJWYTCUSPCI-CHWSQXEVSA-N 1 1 387.343 2.455 10 0 GEAEMO C[C@@H](O)C[N@@H+]1CCN(C(=O)CSc2cccc(Br)c2)C[C@@H]1C ZINC000125168771 643701920 /nfs/dbraw/zinc/70/19/20/643701920.db2.gz BJZNJWYTCUSPCI-QWHCGFSZSA-N 1 1 387.343 2.455 10 0 GEAEMO C[C@@H](O)C[N@H+]1CCN(C(=O)CSc2cccc(Br)c2)C[C@@H]1C ZINC000125168771 643701923 /nfs/dbraw/zinc/70/19/23/643701923.db2.gz BJZNJWYTCUSPCI-QWHCGFSZSA-N 1 1 387.343 2.455 10 0 GEAEMO 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