smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(NC(=O)C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)ccc1Br ZINC000159461316 551565099 /nfs/dbraw/zinc/56/50/99/551565099.db2.gz SIOAIRSUJMHTDL-CQSZACIVSA-N 1 1 396.329 2.790 20 70 GFIDMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(CCOc2cc(Cl)cc(Cl)c2)CC1 ZINC000159430093 551565411 /nfs/dbraw/zinc/56/54/11/551565411.db2.gz MHVNCGKYMOKZSH-QGZVFWFLSA-N 1 1 386.323 2.786 20 70 GFIDMO NC(=O)[C@H]1CCCN1C1CC[NH+](CCOc2cc(Cl)cc(Cl)c2)CC1 ZINC000159430093 551565414 /nfs/dbraw/zinc/56/54/14/551565414.db2.gz MHVNCGKYMOKZSH-QGZVFWFLSA-N 1 1 386.323 2.786 20 70 GFIDMO O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000159488587 551565826 /nfs/dbraw/zinc/56/58/26/551565826.db2.gz IZHJHLOHWCQJPB-CYBMUJFWSA-N 1 1 390.281 2.505 20 70 GFIDMO Cc1ccc(NC(=O)C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)c(Br)c1 ZINC000159398332 551564467 /nfs/dbraw/zinc/56/44/67/551564467.db2.gz QXDZWNFRMQTDBX-CQSZACIVSA-N 1 1 396.329 2.790 20 70 GFIDMO Brc1ccc2ncnc(N3CCC[C@H]3C[NH+]3CCOCC3)c2c1 ZINC000160424800 551580829 /nfs/dbraw/zinc/58/08/29/551580829.db2.gz RXQVMIWDVHUNNZ-AWEZNQCLSA-N 1 1 377.286 2.693 20 70 GFIDMO CS(=O)(=O)c1cc(C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)cs1 ZINC000160558389 551582060 /nfs/dbraw/zinc/58/20/60/551582060.db2.gz ASSAIDQEXFPDOL-CYBMUJFWSA-N 1 1 398.575 2.855 20 70 GFIDMO CS(=O)(=O)c1cc(C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)cs1 ZINC000160558389 551582062 /nfs/dbraw/zinc/58/20/62/551582062.db2.gz ASSAIDQEXFPDOL-CYBMUJFWSA-N 1 1 398.575 2.855 20 70 GFIDMO C[C@H](CC(=O)NCCC[NH+]1CCN(C)CC1)c1ccc(Br)cc1 ZINC000160794128 551585420 /nfs/dbraw/zinc/58/54/20/551585420.db2.gz KPQJDDITESLVPP-OAHLLOKOSA-N 1 1 382.346 2.696 20 70 GFIDMO C[C@H](NC(=O)Nc1ccc(Br)c(Cl)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000161226893 551591535 /nfs/dbraw/zinc/59/15/35/551591535.db2.gz KXXGVETUIWFLKL-ZANVPECISA-N 1 1 376.682 2.943 20 70 GFIDMO C[C@H](NC(=O)Nc1ccc(Br)c(Cl)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000161226893 551591537 /nfs/dbraw/zinc/59/15/37/551591537.db2.gz KXXGVETUIWFLKL-ZANVPECISA-N 1 1 376.682 2.943 20 70 GFIDMO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cc(Br)c2c(c1)OCCCO2 ZINC000159513693 551566414 /nfs/dbraw/zinc/56/64/14/551566414.db2.gz AOOLKZQQUMARBJ-DGCLKSJQSA-N 1 1 383.286 2.696 20 70 GFIDMO C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1cc(Br)c2c(c1)OCCCO2 ZINC000159513693 551566416 /nfs/dbraw/zinc/56/64/16/551566416.db2.gz AOOLKZQQUMARBJ-DGCLKSJQSA-N 1 1 383.286 2.696 20 70 GFIDMO CS(=O)(=O)c1cc(C(=O)N2C[C@@H]3CCC[N@@H+]3Cc3ccccc32)cs1 ZINC000160058827 551574582 /nfs/dbraw/zinc/57/45/82/551574582.db2.gz AWQIJFIFWXNXOT-HNNXBMFYSA-N 1 1 376.503 2.776 20 70 GFIDMO CS(=O)(=O)c1cc(C(=O)N2C[C@@H]3CCC[N@H+]3Cc3ccccc32)cs1 ZINC000160058827 551574585 /nfs/dbraw/zinc/57/45/85/551574585.db2.gz AWQIJFIFWXNXOT-HNNXBMFYSA-N 1 1 376.503 2.776 20 70 GFIDMO C[C@H](C(=O)N1CCc2sccc2C1)[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000161221669 551591620 /nfs/dbraw/zinc/59/16/20/551591620.db2.gz JFUVEABIEYTCGH-ABAIWWIYSA-N 1 1 376.444 2.657 20 70 GFIDMO O=S(=O)(F)c1ccnc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c1 ZINC001164957178 722025008 /nfs/dbraw/zinc/02/50/08/722025008.db2.gz AGAWYMAAEOFKNO-UHFFFAOYSA-N 1 1 390.484 2.627 20 70 GFIDMO O=S(=O)(F)c1ccnc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c1 ZINC001164957178 722025010 /nfs/dbraw/zinc/02/50/10/722025010.db2.gz AGAWYMAAEOFKNO-UHFFFAOYSA-N 1 1 390.484 2.627 20 70 GFIDMO COc1ccc(C[N@@H+]2CCCC[C@H]2CCNS(C)(=O)=O)c(Cl)c1OC ZINC000159461694 551565364 /nfs/dbraw/zinc/56/53/64/551565364.db2.gz NTNONRDWLFHNON-AWEZNQCLSA-N 1 1 390.933 2.651 20 70 GFIDMO COc1ccc(C[N@H+]2CCCC[C@H]2CCNS(C)(=O)=O)c(Cl)c1OC ZINC000159461694 551565367 /nfs/dbraw/zinc/56/53/67/551565367.db2.gz NTNONRDWLFHNON-AWEZNQCLSA-N 1 1 390.933 2.651 20 70 GFIDMO CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(OC)cc1I ZINC000159574530 551566836 /nfs/dbraw/zinc/56/68/36/551566836.db2.gz FUZAUUBLMAUTTQ-NSHDSACASA-N 1 1 388.249 2.514 20 70 GFIDMO C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@H+](C)CC(C)(CO)CO ZINC000159562126 551566926 /nfs/dbraw/zinc/56/69/26/551566926.db2.gz NHOOEWMXXXYSHK-JTQLQIEISA-N 1 1 382.810 2.609 20 70 GFIDMO C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@@H+](C)CC(C)(CO)CO ZINC000159562126 551566928 /nfs/dbraw/zinc/56/69/28/551566928.db2.gz NHOOEWMXXXYSHK-JTQLQIEISA-N 1 1 382.810 2.609 20 70 GFIDMO NC(=O)CC1CC[NH+](Cc2nc(-c3cccc(Br)c3)c[nH]2)CC1 ZINC000159727398 551569966 /nfs/dbraw/zinc/56/99/66/551569966.db2.gz XPPXYLBLCWHYRL-UHFFFAOYSA-N 1 1 377.286 2.927 20 70 GFIDMO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[N@H+](C)C[C@H]1CCC[C@@H]1O ZINC000159760128 551570247 /nfs/dbraw/zinc/57/02/47/551570247.db2.gz VOSDDVLCOLZYKY-YGRLFVJLSA-N 1 1 389.279 2.811 20 70 GFIDMO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[N@@H+](C)C[C@H]1CCC[C@@H]1O ZINC000159760128 551570248 /nfs/dbraw/zinc/57/02/48/551570248.db2.gz VOSDDVLCOLZYKY-YGRLFVJLSA-N 1 1 389.279 2.811 20 70 GFIDMO COCCC[N@@H+](C)CCNC(=O)[C@H](C)Cc1ccc(F)c(Br)c1 ZINC000160006390 551574239 /nfs/dbraw/zinc/57/42/39/551574239.db2.gz PUOAPKKCJYCYCG-CYBMUJFWSA-N 1 1 389.309 2.851 20 70 GFIDMO CC(C)S(=O)(=O)CCC[NH+]1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000160910045 551587428 /nfs/dbraw/zinc/58/74/28/551587428.db2.gz NNIOHYYDNOTOFE-UHFFFAOYSA-N 1 1 387.933 2.599 20 70 GFIDMO C[C@@H](NC(=O)Nc1ccc(Cl)cc1Br)[C@@H]1C[N@H+](C)CCO1 ZINC000161210423 551591490 /nfs/dbraw/zinc/59/14/90/551591490.db2.gz TXNOBPHCKRTPJY-RNCFNFMXSA-N 1 1 376.682 2.943 20 70 GFIDMO C[C@@H](NC(=O)Nc1ccc(Cl)cc1Br)[C@@H]1C[N@@H+](C)CCO1 ZINC000161210423 551591494 /nfs/dbraw/zinc/59/14/94/551591494.db2.gz TXNOBPHCKRTPJY-RNCFNFMXSA-N 1 1 376.682 2.943 20 70 GFIDMO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(CCOc2ccc(Cl)cc2Cl)CC1 ZINC000159403321 551564411 /nfs/dbraw/zinc/56/44/11/551564411.db2.gz GBQSCGJWDZBTMZ-INIZCTEOSA-N 1 1 386.323 2.786 20 70 GFIDMO CC(C)OC(=O)c1ccn(Cc2cn3cc(Br)ccc3[nH+]2)c(=O)c1 ZINC000161028313 551588877 /nfs/dbraw/zinc/58/88/77/551588877.db2.gz ZOQJFMDXJQLHER-UHFFFAOYSA-N 1 1 390.237 2.872 20 70 GFIDMO C[C@@H](NC(=O)Nc1ccc(Cl)cc1Br)[C@H]1C[N@H+](C)CCO1 ZINC000161210664 551591603 /nfs/dbraw/zinc/59/16/03/551591603.db2.gz TXNOBPHCKRTPJY-NOZJJQNGSA-N 1 1 376.682 2.943 20 70 GFIDMO C[C@@H](NC(=O)Nc1ccc(Cl)cc1Br)[C@H]1C[N@@H+](C)CCO1 ZINC000161210664 551591605 /nfs/dbraw/zinc/59/16/05/551591605.db2.gz TXNOBPHCKRTPJY-NOZJJQNGSA-N 1 1 376.682 2.943 20 70 GFIDMO C[C@@H](CC[NH+]1CCOCC1)NC(=O)c1cc(F)c(F)cc1Br ZINC000159916276 551573103 /nfs/dbraw/zinc/57/31/03/551573103.db2.gz TZIHRPZEDVQBJF-JTQLQIEISA-N 1 1 377.229 2.568 20 70 GFIDMO CC[N@@H+](CCNC(=O)c1cc(=O)[nH]c2ccc(Br)cc21)C(C)C ZINC000160174813 551576678 /nfs/dbraw/zinc/57/66/78/551576678.db2.gz VYDUJJDKJCOMGU-UHFFFAOYSA-N 1 1 380.286 2.751 20 70 GFIDMO C[C@H](CNC(=O)C(=O)Nc1cc(Cl)ccc1Br)[N@@H+](C)C1CC1 ZINC000160431036 551580446 /nfs/dbraw/zinc/58/04/46/551580446.db2.gz KPDNXNJVLHCAQI-SECBINFHSA-N 1 1 388.693 2.640 20 70 GFIDMO COc1cc(OC)c(NC(=O)N2CC[NH+](C3CC3)CC2)cc1Br ZINC000161102134 551590378 /nfs/dbraw/zinc/59/03/78/551590378.db2.gz JXONZMUMJXKPEZ-UHFFFAOYSA-N 1 1 384.274 2.778 20 70 GFIDMO COc1ccc(Br)c(CC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000161306760 551592544 /nfs/dbraw/zinc/59/25/44/551592544.db2.gz MATOAGSEQLEHMV-GUYCJALGSA-N 1 1 381.314 2.943 20 70 GFIDMO CC[N@H+](CCc1nccs1)CC(=O)Nc1ccnn1Cc1cccs1 ZINC000159391929 551564519 /nfs/dbraw/zinc/56/45/19/551564519.db2.gz ITTSITCFCSEUQZ-UHFFFAOYSA-N 1 1 375.523 2.953 20 70 GFIDMO CC[N@@H+](CCc1nccs1)CC(=O)Nc1ccnn1Cc1cccs1 ZINC000159391929 551564520 /nfs/dbraw/zinc/56/45/20/551564520.db2.gz ITTSITCFCSEUQZ-UHFFFAOYSA-N 1 1 375.523 2.953 20 70 GFIDMO Cc1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)c(Br)c1 ZINC000159398206 551564774 /nfs/dbraw/zinc/56/47/74/551564774.db2.gz QXDZWNFRMQTDBX-AWEZNQCLSA-N 1 1 396.329 2.790 20 70 GFIDMO Brc1ccc2[nH]c(C[NH+]3CCC(Cn4ccnn4)CC3)nc2c1 ZINC000161010336 551588837 /nfs/dbraw/zinc/58/88/37/551588837.db2.gz RZKDHPZVBHRQIP-UHFFFAOYSA-N 1 1 375.274 2.829 20 70 GFIDMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(Cc2csc(-c3cccs3)n2)CC1 ZINC000159413302 551564546 /nfs/dbraw/zinc/56/45/46/551564546.db2.gz OUNRXGLYBRBKQH-OAHLLOKOSA-N 1 1 376.551 2.786 20 70 GFIDMO Cc1cc(Br)ccc1CNC(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000159579533 551567254 /nfs/dbraw/zinc/56/72/54/551567254.db2.gz CSTHNVUHLCYCTM-ZDUSSCGKSA-N 1 1 384.318 2.525 20 70 GFIDMO CCCC[N@@H+](C)CCNC(=O)C(=O)Nc1cc(Cl)ccc1Br ZINC000160413178 551580108 /nfs/dbraw/zinc/58/01/08/551580108.db2.gz GFMIKSOJJCFHKX-UHFFFAOYSA-N 1 1 390.709 2.889 20 70 GFIDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1cncc(I)c1 ZINC000160928404 551587552 /nfs/dbraw/zinc/58/75/52/551587552.db2.gz FYLTUDUNQQVXLK-NWDGAFQWSA-N 1 1 387.265 2.536 20 70 GFIDMO CS(=O)(=O)NCC[C@H]1CCCC[N@H+]1Cc1cccc(OC(F)(F)F)c1 ZINC000159448708 551565013 /nfs/dbraw/zinc/56/50/13/551565013.db2.gz QIWJREKLBOEGAO-CQSZACIVSA-N 1 1 380.432 2.879 20 70 GFIDMO C[N@@H+](CCCO)C1CCN(Cc2nc3cc(Br)ccc3[nH]2)CC1 ZINC000159705588 551569824 /nfs/dbraw/zinc/56/98/24/551569824.db2.gz VBYNROUHCVAOQT-UHFFFAOYSA-N 1 1 381.318 2.604 20 70 GFIDMO C[N@H+](CCCO)C1CCN(Cc2nc3ccc(Br)cc3[nH]2)CC1 ZINC000159705588 551569826 /nfs/dbraw/zinc/56/98/26/551569826.db2.gz VBYNROUHCVAOQT-UHFFFAOYSA-N 1 1 381.318 2.604 20 70 GFIDMO C[N@@H+](CCCO)C1CCN(Cc2nc3ccc(Br)cc3[nH]2)CC1 ZINC000159705588 551569829 /nfs/dbraw/zinc/56/98/29/551569829.db2.gz VBYNROUHCVAOQT-UHFFFAOYSA-N 1 1 381.318 2.604 20 70 GFIDMO CC[N@H+]1CCCN(C(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000159816185 551571415 /nfs/dbraw/zinc/57/14/15/551571415.db2.gz LGGPHYFQHUYEBZ-INIZCTEOSA-N 1 1 395.345 2.765 20 70 GFIDMO C[N@H+]1CCC[C@@H](CNS(=O)(=O)c2c(Cl)cc(F)cc2Br)C1 ZINC000160573312 551582963 /nfs/dbraw/zinc/58/29/63/551582963.db2.gz SRQDHBGYABPDPI-VIFPVBQESA-N 1 1 399.713 2.862 20 70 GFIDMO COc1ccc(C[N@@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)c(Cl)c1OC ZINC000159461546 551565350 /nfs/dbraw/zinc/56/53/50/551565350.db2.gz NTNONRDWLFHNON-CQSZACIVSA-N 1 1 390.933 2.651 20 70 GFIDMO COc1ccc(C[N@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)c(Cl)c1OC ZINC000159461546 551565351 /nfs/dbraw/zinc/56/53/51/551565351.db2.gz NTNONRDWLFHNON-CQSZACIVSA-N 1 1 390.933 2.651 20 70 GFIDMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(OC)cc1I ZINC000159574401 551567036 /nfs/dbraw/zinc/56/70/36/551567036.db2.gz FUZAUUBLMAUTTQ-LLVKDONJSA-N 1 1 388.249 2.514 20 70 GFIDMO C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000159621912 551568642 /nfs/dbraw/zinc/56/86/42/551568642.db2.gz KSVGWRTXULDMQL-DGCLKSJQSA-N 1 1 377.286 2.925 20 70 GFIDMO Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[NH2+][C@H](C)c1ccccc1Cl ZINC000161193018 551591298 /nfs/dbraw/zinc/59/12/98/551591298.db2.gz ZFXIMPADQWENCU-GFCCVEGCSA-N 1 1 381.885 2.585 20 70 GFIDMO C[C@H](NC(=O)Nc1ccc(Cl)c(Br)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000160486619 551581207 /nfs/dbraw/zinc/58/12/07/551581207.db2.gz WRQAZMXOMOVZKN-ZANVPECISA-N 1 1 376.682 2.943 20 70 GFIDMO C[C@H](NC(=O)Nc1ccc(Cl)c(Br)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000160486619 551581209 /nfs/dbraw/zinc/58/12/09/551581209.db2.gz WRQAZMXOMOVZKN-ZANVPECISA-N 1 1 376.682 2.943 20 70 GFIDMO CC(C)[NH+]1CCN(C(=O)c2cc(I)c(F)cc2F)CC1 ZINC000161182489 551591156 /nfs/dbraw/zinc/59/11/56/551591156.db2.gz WRBJAUJRGVIXAU-UHFFFAOYSA-N 1 1 394.203 2.736 20 70 GFIDMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000161250851 551591483 /nfs/dbraw/zinc/59/14/83/551591483.db2.gz GSOBNNDKBCNRBK-IYBDPMFKSA-N 1 1 385.961 2.519 20 70 GFIDMO CCOc1cc(Br)ccc1NC(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000161233791 551591735 /nfs/dbraw/zinc/59/17/35/551591735.db2.gz XFECRWUJTGKBJM-NHYWBVRUSA-N 1 1 386.290 2.688 20 70 GFIDMO CCOc1cc(Br)ccc1NC(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000161233791 551591737 /nfs/dbraw/zinc/59/17/37/551591737.db2.gz XFECRWUJTGKBJM-NHYWBVRUSA-N 1 1 386.290 2.688 20 70 GFIDMO O=C(Nc1ccc(Br)cn1)[C@H]1CCC[N@@H+](CCOCC2CC2)C1 ZINC000159380045 551564685 /nfs/dbraw/zinc/56/46/85/551564685.db2.gz AJUOVTDKWJMQRX-AWEZNQCLSA-N 1 1 382.302 2.921 20 70 GFIDMO CC[N@H+]1CCCC[C@H]1CNC(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000159765159 551570493 /nfs/dbraw/zinc/57/04/93/551570493.db2.gz CNPFAVMOEAKUEB-ZDUSSCGKSA-N 1 1 392.297 2.895 20 70 GFIDMO O=S(=O)(F)c1ccnc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001164629917 719112718 /nfs/dbraw/zinc/11/27/18/719112718.db2.gz UDSUULOZVMJBFL-SJLPKXTDSA-N 1 1 375.469 2.841 20 70 GFIDMO O=S(=O)(F)c1ccnc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001164629915 719112942 /nfs/dbraw/zinc/11/29/42/719112942.db2.gz UDSUULOZVMJBFL-FUHWJXTLSA-N 1 1 375.469 2.841 20 70 GFIDMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)Cc1cccc(Br)c1 ZINC000160335740 551579226 /nfs/dbraw/zinc/57/92/26/551579226.db2.gz WWDVGEUDFMYHQR-UHFFFAOYSA-N 1 1 383.330 2.808 20 70 GFIDMO CC[N@H+]1CCCN(C(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000159816058 551571309 /nfs/dbraw/zinc/57/13/09/551571309.db2.gz LGGPHYFQHUYEBZ-MRXNPFEDSA-N 1 1 395.345 2.765 20 70 GFIDMO O=C(c1n[nH]c(-c2ccccc2)c1Br)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160010833 551574416 /nfs/dbraw/zinc/57/44/16/551574416.db2.gz HARXKOBXDKACRJ-BETUJISGSA-N 1 1 375.270 2.806 20 70 GFIDMO C[C@@H](CNC(=O)C(=O)Nc1cc(Cl)ccc1Br)[N@@H+](C)C1CC1 ZINC000160430900 551580814 /nfs/dbraw/zinc/58/08/14/551580814.db2.gz KPDNXNJVLHCAQI-VIFPVBQESA-N 1 1 388.693 2.640 20 70 GFIDMO Brc1ccc2[nH]c(C[N@@H+]3CCC[C@H](Cn4ccnn4)C3)nc2c1 ZINC000160986536 551588448 /nfs/dbraw/zinc/58/84/48/551588448.db2.gz RXFMRKXRRKEVFP-LBPRGKRZSA-N 1 1 375.274 2.829 20 70 GFIDMO Brc1ccc2[nH]c(C[N@H+]3CCC[C@H](Cn4ccnn4)C3)nc2c1 ZINC000160986536 551588450 /nfs/dbraw/zinc/58/84/50/551588450.db2.gz RXFMRKXRRKEVFP-LBPRGKRZSA-N 1 1 375.274 2.829 20 70 GFIDMO CC(C)C[N@H+]1CCC[C@@H](CNc2ncnc3c2c(Br)nn3C)C1 ZINC000161295127 551592968 /nfs/dbraw/zinc/59/29/68/551592968.db2.gz FJQIAMKEARWKKF-LBPRGKRZSA-N 1 1 381.322 2.906 20 70 GFIDMO Cc1cccc(CN(CC[NH+](C)C)C(=O)c2csc(S(C)(=O)=O)c2)c1 ZINC000161364877 551593640 /nfs/dbraw/zinc/59/36/40/551593640.db2.gz KQVTWKBNQPRRGF-UHFFFAOYSA-N 1 1 380.535 2.664 20 70 GFIDMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(Cc2cc(F)ccc2Br)CC1 ZINC000159367117 551563915 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CS(=O)(=O)c1cc(C(=O)N2C[C@H]3CCC[N@H+]3Cc3ccccc32)cs1 ZINC000160058939 551574828 /nfs/dbraw/zinc/57/48/28/551574828.db2.gz AWQIJFIFWXNXOT-OAHLLOKOSA-N 1 1 376.503 2.776 20 70 GFIDMO CC[N@@H+]1CCCN(S(=O)(=O)c2c(Cl)cc(F)cc2Br)CC1 ZINC000160500237 551581461 /nfs/dbraw/zinc/58/14/61/551581461.db2.gz BAZIJQJNYSTYME-UHFFFAOYSA-N 1 1 399.713 2.958 20 70 GFIDMO CC[N@H+]1CCCN(S(=O)(=O)c2c(Cl)cc(F)cc2Br)CC1 ZINC000160500237 551581463 /nfs/dbraw/zinc/58/14/63/551581463.db2.gz BAZIJQJNYSTYME-UHFFFAOYSA-N 1 1 399.713 2.958 20 70 GFIDMO NC(=O)CC1CC[NH+](Cc2cc(Br)c3c(c2)OCCCO3)CC1 ZINC000159723645 551569885 /nfs/dbraw/zinc/56/98/85/551569885.db2.gz QLXISATZEWCEQL-UHFFFAOYSA-N 1 1 383.286 2.698 20 70 GFIDMO C[C@H](C(=O)N1CCc2sccc2C1)[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000161221927 551591723 /nfs/dbraw/zinc/59/17/23/551591723.db2.gz JFUVEABIEYTCGH-IAQYHMDHSA-N 1 1 376.444 2.657 20 70 GFIDMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(Cc2csc(-c3ccsc3)n2)CC1 ZINC000159400460 551564500 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O=C1C[C@@H]([C@H]2CCCC[N@H+]2Cc2nc3ccc(Br)cc3[nH]2)CN1 ZINC000161299656 551592640 /nfs/dbraw/zinc/59/26/40/551592640.db2.gz WQAGSZYUPSNLSX-IAQYHMDHSA-N 1 1 377.286 2.816 20 70 GFIDMO O=C1C[C@@H]([C@H]2CCCC[N@@H+]2Cc2nc3ccc(Br)cc3[nH]2)CN1 ZINC000161299656 551592641 /nfs/dbraw/zinc/59/26/41/551592641.db2.gz WQAGSZYUPSNLSX-IAQYHMDHSA-N 1 1 377.286 2.816 20 70 GFIDMO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)Nc1ccc(Br)c(Cl)c1 ZINC000161371265 551593984 /nfs/dbraw/zinc/59/39/84/551593984.db2.gz RSNOOCNARHHUAH-NSHDSACASA-N 1 1 389.725 2.860 20 70 GFIDMO C[C@@H](O)C[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(Br)cc1Br ZINC000159543180 551567052 /nfs/dbraw/zinc/56/70/52/551567052.db2.gz CWNZTSSEADLHBQ-BDAKNGLRSA-N 1 1 394.107 2.851 20 70 GFIDMO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@H]2CCN(C)C[C@H]2C)c1 ZINC000159605441 551567956 /nfs/dbraw/zinc/56/79/56/551567956.db2.gz NLMTVOSHKLUFPF-DYVFJYSZSA-N 1 1 398.345 2.507 20 70 GFIDMO CCOc1c(Br)cc(C[N@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)cc1OC ZINC000159531222 551566294 /nfs/dbraw/zinc/56/62/94/551566294.db2.gz OVZLVLIWNIYQPL-AAEUAGOBSA-N 1 1 385.302 2.942 20 70 GFIDMO Cc1nn(C)c(N2CCOCC2)c1C[N@H+](C)Cc1ccc(Br)cc1 ZINC000160804021 551585957 /nfs/dbraw/zinc/58/59/57/551585957.db2.gz BFDMETKBVFZAIA-UHFFFAOYSA-N 1 1 393.329 2.960 20 70 GFIDMO Cc1nn(C)c(N2CCOCC2)c1C[N@@H+](C)Cc1ccc(Br)cc1 ZINC000160804021 551585958 /nfs/dbraw/zinc/58/59/58/551585958.db2.gz BFDMETKBVFZAIA-UHFFFAOYSA-N 1 1 393.329 2.960 20 70 GFIDMO CN([C@@H]1CCC[N@H+](C)C1)S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000160856561 551586478 /nfs/dbraw/zinc/58/64/78/551586478.db2.gz IVZZCPUQMJPLLL-SNVBAGLBSA-N 1 1 399.713 2.956 20 70 GFIDMO CN([C@@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000160856561 551586480 /nfs/dbraw/zinc/58/64/80/551586480.db2.gz IVZZCPUQMJPLLL-SNVBAGLBSA-N 1 1 399.713 2.956 20 70 GFIDMO COC(=O)C[C@@H](NC(=O)C[N@@H+](C)[C@@H]1CCSC1)c1ccc(Cl)c(F)c1 ZINC000161476353 551595139 /nfs/dbraw/zinc/59/51/39/551595139.db2.gz VGUPUKIOQULRJH-IUODEOHRSA-N 1 1 388.892 2.637 20 70 GFIDMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(CCOc2ccc(Cl)cc2Cl)CC1 ZINC000159403158 551564651 /nfs/dbraw/zinc/56/46/51/551564651.db2.gz GBQSCGJWDZBTMZ-MRXNPFEDSA-N 1 1 386.323 2.786 20 70 GFIDMO CC[N@H+]1CCC[C@H]1CNC(=O)c1cc(F)c(F)cc1I ZINC000159570108 551566772 /nfs/dbraw/zinc/56/67/72/551566772.db2.gz UKLLSPYHNZRUFX-VIFPVBQESA-N 1 1 394.203 2.784 20 70 GFIDMO CCOc1cc(C[N@H+]2C[C@H](C(N)=O)CC[C@@H]2C)cc(Br)c1OC ZINC000159608044 551567848 /nfs/dbraw/zinc/56/78/48/551567848.db2.gz ALAGQIODZWDMRS-WCQYABFASA-N 1 1 385.302 2.942 20 70 GFIDMO C[C@H]1C[C@H]([NH2+]CCC(=O)N(C)Cc2ccccc2Br)CCN1C ZINC000161031139 551588995 /nfs/dbraw/zinc/58/89/95/551588995.db2.gz VFHRUZWWFDMUNQ-GOEBONIOSA-N 1 1 382.346 2.870 20 70 GFIDMO COC(=O)C[C@H](NC(=O)C[N@@H+](C)[C@@H]1CCSC1)c1ccc(Cl)c(F)c1 ZINC000161476226 551594821 /nfs/dbraw/zinc/59/48/21/551594821.db2.gz VGUPUKIOQULRJH-DOMZBBRYSA-N 1 1 388.892 2.637 20 70 GFIDMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1c(F)cccc1I ZINC000159572893 551566785 /nfs/dbraw/zinc/56/67/85/551566785.db2.gz ZPTYPCRUMITWGY-SNVBAGLBSA-N 1 1 376.213 2.644 20 70 GFIDMO Cc1cc(Br)ccc1CNC(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000159579415 551567506 /nfs/dbraw/zinc/56/75/06/551567506.db2.gz CSTHNVUHLCYCTM-CYBMUJFWSA-N 1 1 384.318 2.525 20 70 GFIDMO COc1ccc(C(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)cc1Br ZINC000160240369 551577893 /nfs/dbraw/zinc/57/78/93/551577893.db2.gz GBFZUZBBUOUZKO-UHFFFAOYSA-N 1 1 399.329 2.888 20 70 GFIDMO Brc1ccc2ncnc(N3CCC[C@@H]3C[NH+]3CCOCC3)c2c1 ZINC000160424676 551580471 /nfs/dbraw/zinc/58/04/71/551580471.db2.gz RXQVMIWDVHUNNZ-CQSZACIVSA-N 1 1 377.286 2.693 20 70 GFIDMO C[C@@H](C(=O)N1CCc2sccc2C1)[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000161221809 551591549 /nfs/dbraw/zinc/59/15/49/551591549.db2.gz JFUVEABIEYTCGH-XHDPSFHLSA-N 1 1 376.444 2.657 20 70 GFIDMO C[C@H](O)C[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(Br)cc1Br ZINC000159543033 551566746 /nfs/dbraw/zinc/56/67/46/551566746.db2.gz CWNZTSSEADLHBQ-IUCAKERBSA-N 1 1 394.107 2.851 20 70 GFIDMO C[C@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000159621776 551568120 /nfs/dbraw/zinc/56/81/20/551568120.db2.gz KSVGWRTXULDMQL-AAEUAGOBSA-N 1 1 377.286 2.925 20 70 GFIDMO CCOc1cc(C[NH+]2CCC(CC(N)=O)CC2)cc(Br)c1OC ZINC000159788782 551571119 /nfs/dbraw/zinc/57/11/19/551571119.db2.gz OMOSYCJUABIEHA-UHFFFAOYSA-N 1 1 385.302 2.944 20 70 GFIDMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)c1cc(Br)cs1 ZINC000159835953 551572119 /nfs/dbraw/zinc/57/21/19/551572119.db2.gz ZDDIAQMTNBGOAM-UHFFFAOYSA-N 1 1 375.332 2.941 20 70 GFIDMO C[C@@H](NC(=O)Nc1ccc(Cl)c(Br)c1)[C@H]1C[N@H+](C)CCO1 ZINC000160486951 551581213 /nfs/dbraw/zinc/58/12/13/551581213.db2.gz WRQAZMXOMOVZKN-NOZJJQNGSA-N 1 1 376.682 2.943 20 70 GFIDMO C[C@@H](NC(=O)Nc1ccc(Cl)c(Br)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000160486951 551581215 /nfs/dbraw/zinc/58/12/15/551581215.db2.gz WRQAZMXOMOVZKN-NOZJJQNGSA-N 1 1 376.682 2.943 20 70 GFIDMO C[N@H+]1CCC[C@H](CNS(=O)(=O)c2c(Cl)cc(F)cc2Br)C1 ZINC000160573200 551582855 /nfs/dbraw/zinc/58/28/55/551582855.db2.gz SRQDHBGYABPDPI-SECBINFHSA-N 1 1 399.713 2.862 20 70 GFIDMO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)c1cc(S(C)(=O)=O)cs1 ZINC000160610563 551583161 /nfs/dbraw/zinc/58/31/61/551583161.db2.gz GHJSVITYWZRHEP-UHFFFAOYSA-N 1 1 380.535 2.792 20 70 GFIDMO C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)c1cc(S(C)(=O)=O)cs1 ZINC000160610563 551583163 /nfs/dbraw/zinc/58/31/63/551583163.db2.gz GHJSVITYWZRHEP-UHFFFAOYSA-N 1 1 380.535 2.792 20 70 GFIDMO C[C@H]1C[N@H+](Cc2cccc(CNC(=O)C[C@@H]3CSCCS3)c2)CCO1 ZINC000161129452 551590762 /nfs/dbraw/zinc/59/07/62/551590762.db2.gz AZIPIONDIGERJA-MAUKXSAKSA-N 1 1 380.579 2.762 20 70 GFIDMO C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)C[C@@H]3CSCCS3)c2)CCO1 ZINC000161129452 551590763 /nfs/dbraw/zinc/59/07/63/551590763.db2.gz AZIPIONDIGERJA-MAUKXSAKSA-N 1 1 380.579 2.762 20 70 GFIDMO C[C@H](NC(=O)N1CCC([N@@H+](C)CCO)CC1)c1ccccc1Br ZINC000161254553 551592148 /nfs/dbraw/zinc/59/21/48/551592148.db2.gz GHXAWTGMAQJTRP-ZDUSSCGKSA-N 1 1 384.318 2.608 20 70 GFIDMO NC(=O)CC1CC[NH+](Cc2nc(-c3ccc(Br)cc3)c[nH]2)CC1 ZINC000159799475 551570817 /nfs/dbraw/zinc/57/08/17/551570817.db2.gz HQVRFCDTNALGOU-UHFFFAOYSA-N 1 1 377.286 2.927 20 70 GFIDMO C[C@H](NC(=O)c1cc(Br)cc(C(F)(F)F)c1)[C@H]1C[N@H+](C)CCO1 ZINC000160557740 551582211 /nfs/dbraw/zinc/58/22/11/551582211.db2.gz HMIKLSZNVZCORW-TVQRCGJNSA-N 1 1 395.219 2.917 20 70 GFIDMO C[C@H](NC(=O)c1cc(Br)cc(C(F)(F)F)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000160557740 551582213 /nfs/dbraw/zinc/58/22/13/551582213.db2.gz HMIKLSZNVZCORW-TVQRCGJNSA-N 1 1 395.219 2.917 20 70 GFIDMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc(I)c(F)cc1F ZINC000161084771 551590258 /nfs/dbraw/zinc/59/02/58/551590258.db2.gz PIAKIJLVFRGNKP-SECBINFHSA-N 1 1 394.203 2.784 20 70 GFIDMO COc1cc(OC)c(NC(=O)NC[C@H]2CCC[N@@H+](C)C2)cc1Br ZINC000161124371 551590792 /nfs/dbraw/zinc/59/07/92/551590792.db2.gz ZFGFFHXBNJTYPU-LLVKDONJSA-N 1 1 386.290 2.930 20 70 GFIDMO Cc1ccc(Br)c(C(=O)N2CCCC[C@H](N3CC[NH+](C)CC3)C2)c1 ZINC000159822920 551571658 /nfs/dbraw/zinc/57/16/58/551571658.db2.gz APVQXCCSWMVQIT-INIZCTEOSA-N 1 1 394.357 3.000 20 70 GFIDMO CS(=O)(=O)c1cc(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)cs1 ZINC000160558262 551582168 /nfs/dbraw/zinc/58/21/68/551582168.db2.gz ASSAIDQEXFPDOL-ZDUSSCGKSA-N 1 1 398.575 2.855 20 70 GFIDMO CS(=O)(=O)c1cc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cs1 ZINC000160558262 551582170 /nfs/dbraw/zinc/58/21/70/551582170.db2.gz ASSAIDQEXFPDOL-ZDUSSCGKSA-N 1 1 398.575 2.855 20 70 GFIDMO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)CCc2cc(Cl)cc(Cl)c2)C1 ZINC000160866602 551586077 /nfs/dbraw/zinc/58/60/77/551586077.db2.gz AHAVJBLYBMWBGI-AWEZNQCLSA-N 1 1 386.323 2.630 20 70 GFIDMO C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)C[C@@H]3CSCCS3)c2)CCO1 ZINC000161129350 551590754 /nfs/dbraw/zinc/59/07/54/551590754.db2.gz AZIPIONDIGERJA-CRAIPNDOSA-N 1 1 380.579 2.762 20 70 GFIDMO C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)C[C@@H]3CSCCS3)c2)CCO1 ZINC000161129350 551590755 /nfs/dbraw/zinc/59/07/55/551590755.db2.gz AZIPIONDIGERJA-CRAIPNDOSA-N 1 1 380.579 2.762 20 70 GFIDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)CSc1cccc(Br)c1 ZINC000161304227 551592814 /nfs/dbraw/zinc/59/28/14/551592814.db2.gz PEKXJANPNVIZOB-CQSZACIVSA-N 1 1 387.343 2.768 20 70 GFIDMO COc1ccc(Br)c(CC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000161306908 551592821 /nfs/dbraw/zinc/59/28/21/551592821.db2.gz MATOAGSEQLEHMV-DYVFJYSZSA-N 1 1 381.314 2.943 20 70 GFIDMO C[N@H+]1CCC[C@@H]2CN(C(=O)Cc3ccccc3I)CC[C@@H]21 ZINC000159377839 551564435 /nfs/dbraw/zinc/56/44/35/551564435.db2.gz YPZYXHYTRBCQKH-ZBFHGGJFSA-N 1 1 398.288 2.776 20 70 GFIDMO COc1ccc(Br)cc1C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000159421586 551565257 /nfs/dbraw/zinc/56/52/57/551565257.db2.gz VBWRQHYTATXRJV-BETUJISGSA-N 1 1 385.302 2.687 20 70 GFIDMO Cc1ccc(Br)c(C(=O)N2CCCC[C@@H](N3CC[NH+](C)CC3)C2)c1 ZINC000159823051 551571400 /nfs/dbraw/zinc/57/14/00/551571400.db2.gz APVQXCCSWMVQIT-MRXNPFEDSA-N 1 1 394.357 3.000 20 70 GFIDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1cncc(I)c1 ZINC000160928275 551587310 /nfs/dbraw/zinc/58/73/10/551587310.db2.gz FYLTUDUNQQVXLK-VXGBXAGGSA-N 1 1 387.265 2.536 20 70 GFIDMO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(CCOc2cc(Cl)cc(Cl)c2)CC1 ZINC000159430214 551565134 /nfs/dbraw/zinc/56/51/34/551565134.db2.gz MHVNCGKYMOKZSH-KRWDZBQOSA-N 1 1 386.323 2.786 20 70 GFIDMO NC(=O)[C@@H]1CCCN1C1CC[NH+](CCOc2cc(Cl)cc(Cl)c2)CC1 ZINC000159430214 551565137 /nfs/dbraw/zinc/56/51/37/551565137.db2.gz MHVNCGKYMOKZSH-KRWDZBQOSA-N 1 1 386.323 2.786 20 70 GFIDMO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@@H]2CCN(C)[C@H](C)C2)c1 ZINC000159598131 551567613 /nfs/dbraw/zinc/56/76/13/551567613.db2.gz VQEOCVGTZUCKKI-ZIAGYGMSSA-N 1 1 398.345 2.650 20 70 GFIDMO C[N@H+]1CCC[C@H]2CN(C(=O)Cc3ccccc3I)CC[C@@H]21 ZINC000159377721 551564401 /nfs/dbraw/zinc/56/44/01/551564401.db2.gz YPZYXHYTRBCQKH-HOCLYGCPSA-N 1 1 398.288 2.776 20 70 GFIDMO C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000159519184 551566344 /nfs/dbraw/zinc/56/63/44/551566344.db2.gz UQUUOPMZSBWVPR-DGCLKSJQSA-N 1 1 377.286 2.925 20 70 GFIDMO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@H]2CCN(C)[C@H](C)C2)c1 ZINC000159598409 551567494 /nfs/dbraw/zinc/56/74/94/551567494.db2.gz VQEOCVGTZUCKKI-KGLIPLIRSA-N 1 1 398.345 2.650 20 70 GFIDMO C[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[N@H+](C)CC(C)(CO)CO ZINC000159591343 551567540 /nfs/dbraw/zinc/56/75/40/551567540.db2.gz AUJXJJVXNSGVHS-JTQLQIEISA-N 1 1 382.810 2.609 20 70 GFIDMO C[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[N@@H+](C)CC(C)(CO)CO ZINC000159591343 551567541 /nfs/dbraw/zinc/56/75/41/551567541.db2.gz AUJXJJVXNSGVHS-JTQLQIEISA-N 1 1 382.810 2.609 20 70 GFIDMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)COc1ccc(Br)cc1 ZINC000159920510 551573002 /nfs/dbraw/zinc/57/30/02/551573002.db2.gz AGYKLFBTDUVMRR-UHFFFAOYSA-N 1 1 399.329 2.645 20 70 GFIDMO COCCCS(=O)(=O)N1CC[NH+]([C@@H](C)CCSc2ccccc2)CC1 ZINC000159951964 551573462 /nfs/dbraw/zinc/57/34/62/551573462.db2.gz ALRGAAADMAZYQG-KRWDZBQOSA-N 1 1 386.583 2.541 20 70 GFIDMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)CNC(=O)c1ccc(Cl)cc1Cl ZINC000160479517 551580940 /nfs/dbraw/zinc/58/09/40/551580940.db2.gz PJCAPPRNLAROLP-CQSZACIVSA-N 1 1 386.323 2.960 20 70 GFIDMO CSc1nc2ncnc(N3CCC[C@H]3C[N@H+]3C[C@@H](C)O[C@@H](C)C3)c2s1 ZINC000160470757 551581162 /nfs/dbraw/zinc/58/11/62/551581162.db2.gz OGXPNUCLVGWWMB-XQQFMLRXSA-N 1 1 379.555 2.886 20 70 GFIDMO CSc1nc2ncnc(N3CCC[C@H]3C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)c2s1 ZINC000160470757 551581164 /nfs/dbraw/zinc/58/11/64/551581164.db2.gz OGXPNUCLVGWWMB-XQQFMLRXSA-N 1 1 379.555 2.886 20 70 GFIDMO O[C@H](COc1ccc(Br)cc1)C[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160818143 551585948 /nfs/dbraw/zinc/58/59/48/551585948.db2.gz QIZFDPKZAJZQAV-UWWQBHOKSA-N 1 1 384.314 2.816 20 70 GFIDMO C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[N@H+](C)CC(C)(CO)CO ZINC000159591469 551567581 /nfs/dbraw/zinc/56/75/81/551567581.db2.gz AUJXJJVXNSGVHS-SNVBAGLBSA-N 1 1 382.810 2.609 20 70 GFIDMO C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[N@@H+](C)CC(C)(CO)CO ZINC000159591469 551567582 /nfs/dbraw/zinc/56/75/82/551567582.db2.gz AUJXJJVXNSGVHS-SNVBAGLBSA-N 1 1 382.810 2.609 20 70 GFIDMO CCC[N@H+]1CCCN(C(=O)c2cc(=O)[nH]c3ccc(Br)cc32)CC1 ZINC000159927246 551573020 /nfs/dbraw/zinc/57/30/20/551573020.db2.gz JDPZOKKLLLCTKI-UHFFFAOYSA-N 1 1 392.297 2.849 20 70 GFIDMO CC[N@H+]1CCCN(C(=O)NC[C@@H](C)Oc2ccccc2Br)CC1 ZINC000159947325 551573781 /nfs/dbraw/zinc/57/37/81/551573781.db2.gz IESVEGHZIPSIIK-CQSZACIVSA-N 1 1 384.318 2.954 20 70 GFIDMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000159365896 551564176 /nfs/dbraw/zinc/56/41/76/551564176.db2.gz SHKGYUHTAAIKOV-MRXNPFEDSA-N 1 1 384.293 2.502 20 70 GFIDMO Brc1ccc2nc(CN3CCC[C@@H](C[NH+]4CCOCC4)C3)[nH]c2c1 ZINC000159632498 551568628 /nfs/dbraw/zinc/56/86/28/551568628.db2.gz KLWDDYTUGSVFRQ-AWEZNQCLSA-N 1 1 393.329 2.870 20 70 GFIDMO CCCC[N@@H+](C)CCNC(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000159949331 551573505 /nfs/dbraw/zinc/57/35/05/551573505.db2.gz AFESZBKIUVNLGS-UHFFFAOYSA-N 1 1 380.286 2.752 20 70 GFIDMO C[C@@H](NC(=O)Nc1c(F)cc(Br)cc1F)[C@H]1C[N@H+](C)CCO1 ZINC000160133742 551575677 /nfs/dbraw/zinc/57/56/77/551575677.db2.gz IAFZBEYEOZMADS-PRHODGIISA-N 1 1 378.217 2.568 20 70 GFIDMO C[C@@H](NC(=O)Nc1c(F)cc(Br)cc1F)[C@H]1C[N@@H+](C)CCO1 ZINC000160133742 551575679 /nfs/dbraw/zinc/57/56/79/551575679.db2.gz IAFZBEYEOZMADS-PRHODGIISA-N 1 1 378.217 2.568 20 70 GFIDMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000161256916 551592377 /nfs/dbraw/zinc/59/23/77/551592377.db2.gz QRNBVUXCWOGLIF-IYBDPMFKSA-N 1 1 385.961 2.519 20 70 GFIDMO C[C@H](NC(=O)c1cc(Br)cc(C(F)(F)F)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000160557493 551582081 /nfs/dbraw/zinc/58/20/81/551582081.db2.gz HMIKLSZNVZCORW-ZANVPECISA-N 1 1 395.219 2.917 20 70 GFIDMO C[C@H](NC(=O)c1cc(Br)cc(C(F)(F)F)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000160557493 551582083 /nfs/dbraw/zinc/58/20/83/551582083.db2.gz HMIKLSZNVZCORW-ZANVPECISA-N 1 1 395.219 2.917 20 70 GFIDMO C[C@H](C(=O)NCC1CCN(CC[NH+](C)C)CC1)c1ccc(Br)cc1 ZINC000160588230 551582657 /nfs/dbraw/zinc/58/26/57/551582657.db2.gz ZSIXGASFNDWUNL-HNNXBMFYSA-N 1 1 396.373 2.942 20 70 GFIDMO Cc1ccc(Br)cc1NC(=O)C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000159457945 551565071 /nfs/dbraw/zinc/56/50/71/551565071.db2.gz GPEVQHGTWQVRGV-AWEZNQCLSA-N 1 1 396.329 2.790 20 70 GFIDMO C[NH+]1CCN(CC(=O)NCC2(c3cccc(Br)c3)CCCC2)CC1 ZINC000160849285 551586120 /nfs/dbraw/zinc/58/61/20/551586120.db2.gz AEUKLCQZBHEJHG-UHFFFAOYSA-N 1 1 394.357 2.625 20 70 GFIDMO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cc(Br)c2c(c1)OCCCO2 ZINC000159513553 551566328 /nfs/dbraw/zinc/56/63/28/551566328.db2.gz AOOLKZQQUMARBJ-AAEUAGOBSA-N 1 1 383.286 2.696 20 70 GFIDMO C[C@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1cc(Br)c2c(c1)OCCCO2 ZINC000159513553 551566330 /nfs/dbraw/zinc/56/63/30/551566330.db2.gz AOOLKZQQUMARBJ-AAEUAGOBSA-N 1 1 383.286 2.696 20 70 GFIDMO CCOc1c(Br)cc(C[NH+]2CCC(CC(N)=O)CC2)cc1OC ZINC000159733447 551569681 /nfs/dbraw/zinc/56/96/81/551569681.db2.gz BMEVOFCXWRVXIU-UHFFFAOYSA-N 1 1 385.302 2.944 20 70 GFIDMO Brc1ccc2[nH]c(C[N@@H+]3CCC[C@@H](Cn4ccnn4)C3)nc2c1 ZINC000160986680 551588707 /nfs/dbraw/zinc/58/87/07/551588707.db2.gz RXFMRKXRRKEVFP-GFCCVEGCSA-N 1 1 375.274 2.829 20 70 GFIDMO Brc1ccc2[nH]c(C[N@H+]3CCC[C@@H](Cn4ccnn4)C3)nc2c1 ZINC000160986680 551588709 /nfs/dbraw/zinc/58/87/09/551588709.db2.gz RXFMRKXRRKEVFP-GFCCVEGCSA-N 1 1 375.274 2.829 20 70 GFIDMO COCC[N@H+]1CCC[C@H]1CNC(=O)CSc1cccc(Br)c1 ZINC000161304358 551592581 /nfs/dbraw/zinc/59/25/81/551592581.db2.gz PEKXJANPNVIZOB-AWEZNQCLSA-N 1 1 387.343 2.768 20 70 GFIDMO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cc(Br)c2c(c1)OCCCO2 ZINC000159513839 551566225 /nfs/dbraw/zinc/56/62/25/551566225.db2.gz AOOLKZQQUMARBJ-WCQYABFASA-N 1 1 383.286 2.696 20 70 GFIDMO C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1cc(Br)c2c(c1)OCCCO2 ZINC000159513839 551566228 /nfs/dbraw/zinc/56/62/28/551566228.db2.gz AOOLKZQQUMARBJ-WCQYABFASA-N 1 1 383.286 2.696 20 70 GFIDMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)Cc1ccc(Br)cc1 ZINC000160316874 551578686 /nfs/dbraw/zinc/57/86/86/551578686.db2.gz GCALCKYZEXWROX-UHFFFAOYSA-N 1 1 383.330 2.808 20 70 GFIDMO Cc1ccc(C(=O)N2CCC(Cc3[nH+]ccn3C)CC2)c(Br)n1 ZINC000160824650 551585701 /nfs/dbraw/zinc/58/57/01/551585701.db2.gz SRXFROXLNKBVAV-UHFFFAOYSA-N 1 1 377.286 2.981 20 70 GFIDMO C[C@H]1C[C@@H]([NH2+]CCC(=O)N(C)Cc2ccccc2Br)CCN1C ZINC000161031383 551588923 /nfs/dbraw/zinc/58/89/23/551588923.db2.gz VFHRUZWWFDMUNQ-HOCLYGCPSA-N 1 1 382.346 2.870 20 70 GFIDMO O=C(NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1sccc1Br ZINC000159367482 551564200 /nfs/dbraw/zinc/56/42/00/551564200.db2.gz UFKJKZMJWNODMQ-CQSZACIVSA-N 1 1 395.322 2.660 20 70 GFIDMO COc1ccc(-c2nc3c(s2)[C@H](NC(=O)[C@H]2CSC[NH2+]2)CCC3)cc1 ZINC000159699560 551569934 /nfs/dbraw/zinc/56/99/34/551569934.db2.gz DYBVGTZUELGLKR-UKRRQHHQSA-N 1 1 375.519 2.975 20 70 GFIDMO COCC[N@@H+](C)CCNC(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC000159848519 551572072 /nfs/dbraw/zinc/57/20/72/551572072.db2.gz UCZVZEDQZLXVMD-UHFFFAOYSA-N 1 1 383.208 2.776 20 70 GFIDMO C[C@H](NC(=O)Nc1c(F)cc(Br)cc1F)[C@@H]1C[N@H+](C)CCO1 ZINC000160133300 551575789 /nfs/dbraw/zinc/57/57/89/551575789.db2.gz IAFZBEYEOZMADS-UFBFGSQYSA-N 1 1 378.217 2.568 20 70 GFIDMO C[C@H](NC(=O)Nc1c(F)cc(Br)cc1F)[C@@H]1C[N@@H+](C)CCO1 ZINC000160133300 551575790 /nfs/dbraw/zinc/57/57/90/551575790.db2.gz IAFZBEYEOZMADS-UFBFGSQYSA-N 1 1 378.217 2.568 20 70 GFIDMO C[C@@H]1C[C@@H]([NH2+]CCC(=O)N(C)Cc2ccccc2Br)CCN1C ZINC000161031262 551589108 /nfs/dbraw/zinc/58/91/08/551589108.db2.gz VFHRUZWWFDMUNQ-ZBFHGGJFSA-N 1 1 382.346 2.870 20 70 GFIDMO C[C@@H](NC(=O)Nc1ccc(Br)c(Cl)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000161227000 551591390 /nfs/dbraw/zinc/59/13/90/551591390.db2.gz KXXGVETUIWFLKL-RNCFNFMXSA-N 1 1 376.682 2.943 20 70 GFIDMO C[C@@H](NC(=O)Nc1ccc(Br)c(Cl)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000161227000 551591393 /nfs/dbraw/zinc/59/13/93/551591393.db2.gz KXXGVETUIWFLKL-RNCFNFMXSA-N 1 1 376.682 2.943 20 70 GFIDMO COCC[NH+]1CCN(C(=O)Nc2ccc(Br)c(Cl)c2)CC1 ZINC000161370321 551594087 /nfs/dbraw/zinc/59/40/87/551594087.db2.gz CUEPXRDYGIHFJJ-UHFFFAOYSA-N 1 1 376.682 2.898 20 70 GFIDMO CN(Cc1cc(Br)cs1)C(=O)C[N@@H+](C)C[C@H]1CCC[C@@H]1O ZINC000159613153 551567986 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