smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@H]([NH2+]CCCN1CC[NH+](CC)CC1)c1ccc(F)cc1O ZINC000285848874 131205114 /nfs/dbraw/zinc/20/51/14/131205114.db2.gz XUYBYUYWJFGEDS-KRWDZBQOSA-N 2 1 323.456 2.600 20 10 DFCDMP CCOCc1cc(C[NH2+]CCCn2cc[nH+]c2C)ccc1OC ZINC000299461421 132106383 /nfs/dbraw/zinc/10/63/83/132106383.db2.gz DQNRHRLJYZVPDP-UHFFFAOYSA-N 2 1 317.433 2.917 20 10 DFCDMP CC[NH+]1CCC([NH2+]C2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC000159289888 425957314 /nfs/dbraw/zinc/95/73/14/425957314.db2.gz SVRQMBOCHDXGMY-UHFFFAOYSA-N 2 1 317.477 2.738 20 10 DFCDMP CCCOc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC)C2)c(O)c1 ZINC000093770513 426358971 /nfs/dbraw/zinc/35/89/71/426358971.db2.gz DYVLKICJNGRIKL-OAHLLOKOSA-N 2 1 306.450 2.955 20 10 DFCDMP CCCOc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC)C2)c(O)c1 ZINC000093770513 426358973 /nfs/dbraw/zinc/35/89/73/426358973.db2.gz DYVLKICJNGRIKL-OAHLLOKOSA-N 2 1 306.450 2.955 20 10 DFCDMP CCCOc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC)C2)c(O)c1 ZINC000093770513 426358977 /nfs/dbraw/zinc/35/89/77/426358977.db2.gz DYVLKICJNGRIKL-OAHLLOKOSA-N 2 1 306.450 2.955 20 10 DFCDMP CCOc1ccc(O)c(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)c1 ZINC000290346618 426747105 /nfs/dbraw/zinc/74/71/05/426747105.db2.gz FUXNZAMEGXHEQL-PBHICJAKSA-N 2 1 304.434 2.707 20 10 DFCDMP CCOc1ccc(O)c(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000290346618 426747107 /nfs/dbraw/zinc/74/71/07/426747107.db2.gz FUXNZAMEGXHEQL-PBHICJAKSA-N 2 1 304.434 2.707 20 10 DFCDMP CCOc1ccc(O)c(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c1 ZINC000290346618 426747109 /nfs/dbraw/zinc/74/71/09/426747109.db2.gz FUXNZAMEGXHEQL-PBHICJAKSA-N 2 1 304.434 2.707 20 10 DFCDMP CCOc1ccc(O)c(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)c1 ZINC000290346649 426747365 /nfs/dbraw/zinc/74/73/65/426747365.db2.gz FUXNZAMEGXHEQL-WMLDXEAASA-N 2 1 304.434 2.707 20 10 DFCDMP CCOc1ccc(O)c(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)c1 ZINC000290346649 426747369 /nfs/dbraw/zinc/74/73/69/426747369.db2.gz FUXNZAMEGXHEQL-WMLDXEAASA-N 2 1 304.434 2.707 20 10 DFCDMP CCOc1ccc(O)c(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c1 ZINC000290346649 426747376 /nfs/dbraw/zinc/74/73/76/426747376.db2.gz FUXNZAMEGXHEQL-WMLDXEAASA-N 2 1 304.434 2.707 20 10 DFCDMP COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)c1 ZINC000179670925 426813076 /nfs/dbraw/zinc/81/30/76/426813076.db2.gz WWTSMISAFOFKQC-OLZOCXBDSA-N 2 1 303.406 2.893 20 10 DFCDMP Oc1ccc(F)cc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246001469 426791315 /nfs/dbraw/zinc/79/13/15/426791315.db2.gz RXGRYKOXHGVWGI-GUYCJALGSA-N 2 1 304.409 2.980 20 10 DFCDMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000293859542 427466282 /nfs/dbraw/zinc/46/62/82/427466282.db2.gz IFLIOMKNDVWNGD-HZMBPMFUSA-N 2 1 300.805 2.957 20 10 DFCDMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000293859542 427466288 /nfs/dbraw/zinc/46/62/88/427466288.db2.gz IFLIOMKNDVWNGD-HZMBPMFUSA-N 2 1 300.805 2.957 20 10 DFCDMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000293859542 427466293 /nfs/dbraw/zinc/46/62/93/427466293.db2.gz IFLIOMKNDVWNGD-HZMBPMFUSA-N 2 1 300.805 2.957 20 10 DFCDMP CC[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccccc1O ZINC000278476816 427442521 /nfs/dbraw/zinc/44/25/21/427442521.db2.gz KFJDHDSYYDFTJB-WBVHZDCISA-N 2 1 306.450 2.934 20 10 DFCDMP COCCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(C)cc2O)CC1 ZINC000185314625 427634279 /nfs/dbraw/zinc/63/42/79/427634279.db2.gz UGAGARAUJGLOQN-HNNXBMFYSA-N 2 1 306.450 2.852 20 10 DFCDMP C[N@@H+](Cc1cc(Cl)ccc1O)C[C@H]1CCc2[nH+]ccn2C1 ZINC000364674311 333326132 /nfs/dbraw/zinc/32/61/32/333326132.db2.gz RILDIHUBGTZGEF-GFCCVEGCSA-N 2 1 305.809 2.937 20 10 DFCDMP C[N@H+](Cc1cc(Cl)ccc1O)C[C@H]1CCc2[nH+]ccn2C1 ZINC000364674311 333326134 /nfs/dbraw/zinc/32/61/34/333326134.db2.gz RILDIHUBGTZGEF-GFCCVEGCSA-N 2 1 305.809 2.937 20 10 DFCDMP CN(C)c1ccc(C[N@H+](C)C[C@@H]2CCn3cc[nH+]c3C2)cc1F ZINC000377859258 337062762 /nfs/dbraw/zinc/06/27/62/337062762.db2.gz GOCVPDLNOSFADX-OAHLLOKOSA-N 2 1 316.424 2.783 20 10 DFCDMP CN(C)c1ccc(C[N@@H+](C)C[C@@H]2CCn3cc[nH+]c3C2)cc1F ZINC000377859258 337062763 /nfs/dbraw/zinc/06/27/63/337062763.db2.gz GOCVPDLNOSFADX-OAHLLOKOSA-N 2 1 316.424 2.783 20 10 DFCDMP Cc1ccc(O)c(C[N@H+](C)C2CC[NH+](C3CCOCC3)CC2)c1 ZINC000378348638 337070570 /nfs/dbraw/zinc/07/05/70/337070570.db2.gz HBOAPDZAPWRWMW-UHFFFAOYSA-N 2 1 318.461 2.776 20 10 DFCDMP [O-]c1c(F)cccc1C[N@H+]1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000272373227 130024964 /nfs/dbraw/zinc/02/49/64/130024964.db2.gz GXOQCVVMBLJWAW-DYVFJYSZSA-N 2 1 304.409 2.980 20 10 DFCDMP COc1cccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1O ZINC000093683717 426358903 /nfs/dbraw/zinc/35/89/03/426358903.db2.gz NPDHDRVAFZGUFU-HNNXBMFYSA-N 2 1 304.434 2.709 20 10 DFCDMP CCOc1cccc(C[N@H+]2CC[C@H](C[NH+](CC)CC)C2)c1O ZINC000093693212 426358988 /nfs/dbraw/zinc/35/89/88/426358988.db2.gz XBNCZWMXBUHKFR-OAHLLOKOSA-N 2 1 306.450 2.955 20 10 DFCDMP COc1cc(Cl)cc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)c1O ZINC000290298836 426736021 /nfs/dbraw/zinc/73/60/21/426736021.db2.gz BBFBNRCSAOQPGF-WFASDCNBSA-N 2 1 324.852 2.970 20 10 DFCDMP COc1cc(Cl)cc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c1O ZINC000290298836 426736027 /nfs/dbraw/zinc/73/60/27/426736027.db2.gz BBFBNRCSAOQPGF-WFASDCNBSA-N 2 1 324.852 2.970 20 10 DFCDMP COc1cc(Cl)cc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c1O ZINC000290298836 426736032 /nfs/dbraw/zinc/73/60/32/426736032.db2.gz BBFBNRCSAOQPGF-WFASDCNBSA-N 2 1 324.852 2.970 20 10 DFCDMP CCC[NH+]1CCC([N@@H+](C)Cc2cc(OC)c(OC)cc2O)CC1 ZINC000179797822 426820142 /nfs/dbraw/zinc/82/01/42/426820142.db2.gz VWZVDCAVZSNNAT-UHFFFAOYSA-N 2 1 322.449 2.716 20 10 DFCDMP CC[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccccc1O ZINC000278476814 427441564 /nfs/dbraw/zinc/44/15/64/427441564.db2.gz KFJDHDSYYDFTJB-NVXWUHKLSA-N 2 1 306.450 2.934 20 10 DFCDMP COc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)c1 ZINC000279004367 427527892 /nfs/dbraw/zinc/52/78/92/427527892.db2.gz RYPIXGRFMZCPBL-CHWSQXEVSA-N 2 1 301.390 2.511 20 10 DFCDMP CCOc1cccc(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)c1O ZINC000371403147 428387903 /nfs/dbraw/zinc/38/79/03/428387903.db2.gz KJHAWXLFGOXAAR-IXDOHACOSA-N 2 1 316.445 2.707 20 10 DFCDMP CCOc1cccc(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)c1O ZINC000371403147 428387908 /nfs/dbraw/zinc/38/79/08/428387908.db2.gz KJHAWXLFGOXAAR-IXDOHACOSA-N 2 1 316.445 2.707 20 10 DFCDMP CCOc1cccc(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)c1O ZINC000371403147 428387913 /nfs/dbraw/zinc/38/79/13/428387913.db2.gz KJHAWXLFGOXAAR-IXDOHACOSA-N 2 1 316.445 2.707 20 10 DFCDMP CC[C@@H](c1ccccc1O)[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000366679032 429492539 /nfs/dbraw/zinc/49/25/39/429492539.db2.gz LZSNJPXABCPACT-WMZOPIPTSA-N 2 1 317.477 2.555 20 10 DFCDMP Cn1cc[nH+]c1CC1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000180113719 337171454 /nfs/dbraw/zinc/17/14/54/337171454.db2.gz ZDLKLWOFSPCAPZ-UHFFFAOYSA-N 2 1 303.381 2.720 20 10 DFCDMP CCOc1cccc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)c1O ZINC000236940241 521365059 /nfs/dbraw/zinc/36/50/59/521365059.db2.gz YWWKLCBULFFPLY-ZDUSSCGKSA-N 2 1 303.406 2.722 20 10 DFCDMP CCCOc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC)C2)c(O)c1 ZINC000093770514 426357886 /nfs/dbraw/zinc/35/78/86/426357886.db2.gz DYVLKICJNGRIKL-HNNXBMFYSA-N 2 1 306.450 2.955 20 10 DFCDMP CCCOc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CC)C2)c(O)c1 ZINC000093770514 426357888 /nfs/dbraw/zinc/35/78/88/426357888.db2.gz DYVLKICJNGRIKL-HNNXBMFYSA-N 2 1 306.450 2.955 20 10 DFCDMP CCCOc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC)C2)c(O)c1 ZINC000093770514 426357891 /nfs/dbraw/zinc/35/78/91/426357891.db2.gz DYVLKICJNGRIKL-HNNXBMFYSA-N 2 1 306.450 2.955 20 10 DFCDMP CCOc1cccc(C[N@@H+](C)[C@H]2CC[NH+](CC)C[C@H]2C)c1O ZINC000093639029 426358186 /nfs/dbraw/zinc/35/81/86/426358186.db2.gz ZEKGEENYDNRFEN-ZBFHGGJFSA-N 2 1 306.450 2.953 20 10 DFCDMP CCOc1cccc(C[NH+](C)[C@H]2CC[N@H+](CC)C[C@H]2C)c1O ZINC000093639029 426358187 /nfs/dbraw/zinc/35/81/87/426358187.db2.gz ZEKGEENYDNRFEN-ZBFHGGJFSA-N 2 1 306.450 2.953 20 10 DFCDMP CCOc1cccc(C[NH+](C)[C@H]2CC[N@@H+](CC)C[C@H]2C)c1O ZINC000093639029 426358188 /nfs/dbraw/zinc/35/81/88/426358188.db2.gz ZEKGEENYDNRFEN-ZBFHGGJFSA-N 2 1 306.450 2.953 20 10 DFCDMP COCC[NH+]1CCC([NH2+][C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000154833778 426457500 /nfs/dbraw/zinc/45/75/00/426457500.db2.gz JFWGJZFCSXLOMO-OAHLLOKOSA-N 2 1 305.466 2.514 20 10 DFCDMP CC[C@@H]([NH2+]C1CC[NH+](CCOC)CC1)c1ccc(C)cc1O ZINC000280142341 426505215 /nfs/dbraw/zinc/50/52/15/426505215.db2.gz PSNKEACXLZSTNV-QGZVFWFLSA-N 2 1 306.450 2.852 20 10 DFCDMP CCOc1cccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)c1O ZINC000290630709 426808234 /nfs/dbraw/zinc/80/82/34/426808234.db2.gz XXFCGZQBXPJTED-ZBFHGGJFSA-N 2 1 304.434 2.707 20 10 DFCDMP CCOc1cccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c1O ZINC000290630709 426808238 /nfs/dbraw/zinc/80/82/38/426808238.db2.gz XXFCGZQBXPJTED-ZBFHGGJFSA-N 2 1 304.434 2.707 20 10 DFCDMP CCOc1cccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c1O ZINC000290630709 426808242 /nfs/dbraw/zinc/80/82/42/426808242.db2.gz XXFCGZQBXPJTED-ZBFHGGJFSA-N 2 1 304.434 2.707 20 10 DFCDMP CC[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(C)cc1O ZINC000282325577 426881126 /nfs/dbraw/zinc/88/11/26/426881126.db2.gz NUNJLVXQOSUONG-KRWDZBQOSA-N 2 1 319.493 2.767 20 10 DFCDMP Cc1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)ccc1N(C)C ZINC000293173263 427233930 /nfs/dbraw/zinc/23/39/30/427233930.db2.gz SDHSFLDQACOZRK-SFHVURJKSA-N 2 1 301.478 2.979 20 10 DFCDMP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1cc(F)ccc1O ZINC000278814859 427462768 /nfs/dbraw/zinc/46/27/68/427462768.db2.gz ZUZKSFDYOZFXHZ-KBPBESRZSA-N 2 1 310.413 2.683 20 10 DFCDMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1cc(F)ccc1O ZINC000278814859 427462776 /nfs/dbraw/zinc/46/27/76/427462776.db2.gz ZUZKSFDYOZFXHZ-KBPBESRZSA-N 2 1 310.413 2.683 20 10 DFCDMP COCCC[NH+]1CCC([NH2+][C@H](C)c2cc(F)ccc2O)CC1 ZINC000185314776 427632819 /nfs/dbraw/zinc/63/28/19/427632819.db2.gz RMBWSYGIHCSAER-CYBMUJFWSA-N 2 1 310.413 2.683 20 10 DFCDMP Cc1ccc(O)c([C@H](C)[NH2+]CC2CCN(CC[NH+](C)C)CC2)c1 ZINC000185352932 427638895 /nfs/dbraw/zinc/63/88/95/427638895.db2.gz VHWVJWJAFHRATO-INIZCTEOSA-N 2 1 319.493 2.625 20 10 DFCDMP CCOc1cccc(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)c1O ZINC000371403146 428388859 /nfs/dbraw/zinc/38/88/59/428388859.db2.gz KJHAWXLFGOXAAR-IKGGRYGDSA-N 2 1 316.445 2.707 20 10 DFCDMP CCOc1cccc(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)c1O ZINC000371403146 428388863 /nfs/dbraw/zinc/38/88/63/428388863.db2.gz KJHAWXLFGOXAAR-IKGGRYGDSA-N 2 1 316.445 2.707 20 10 DFCDMP CCOc1cccc(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)c1O ZINC000371403146 428388868 /nfs/dbraw/zinc/38/88/68/428388868.db2.gz KJHAWXLFGOXAAR-IKGGRYGDSA-N 2 1 316.445 2.707 20 10 DFCDMP Oc1ccc(Cl)cc1C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000371402924 428389596 /nfs/dbraw/zinc/38/95/96/428389596.db2.gz FPYIURFMEWVYFC-KBMXLJTQSA-N 2 1 306.837 2.962 20 10 DFCDMP Oc1ccc(Cl)cc1C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000371402924 428389600 /nfs/dbraw/zinc/38/96/00/428389600.db2.gz FPYIURFMEWVYFC-KBMXLJTQSA-N 2 1 306.837 2.962 20 10 DFCDMP Oc1ccc(Cl)cc1C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000371402924 428389603 /nfs/dbraw/zinc/38/96/03/428389603.db2.gz FPYIURFMEWVYFC-KBMXLJTQSA-N 2 1 306.837 2.962 20 10 DFCDMP Oc1ccc(Cl)cc1C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000371402924 428389607 /nfs/dbraw/zinc/38/96/07/428389607.db2.gz FPYIURFMEWVYFC-KBMXLJTQSA-N 2 1 306.837 2.962 20 10 DFCDMP Cn1cc[nH+]c1CC1CC[NH+](Cc2cccc(F)c2[O-])CC1 ZINC000374898307 428779610 /nfs/dbraw/zinc/77/96/10/428779610.db2.gz QYXMJBIWZYLMPT-UHFFFAOYSA-N 2 1 303.381 2.720 20 10 DFCDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+]CC2(C)CC[NH+](C)CC2)c1 ZINC000273471486 334047764 /nfs/dbraw/zinc/04/77/64/334047764.db2.gz SBLZCEHCPMJRIY-ZDUSSCGKSA-N 2 1 320.433 2.561 20 10 DFCDMP CN(C)c1ccc(C[N@H+](C)C[C@H]2CCn3cc[nH+]c3C2)cc1F ZINC000377859257 337062624 /nfs/dbraw/zinc/06/26/24/337062624.db2.gz GOCVPDLNOSFADX-HNNXBMFYSA-N 2 1 316.424 2.783 20 10 DFCDMP CN(C)c1ccc(C[N@@H+](C)C[C@H]2CCn3cc[nH+]c3C2)cc1F ZINC000377859257 337062625 /nfs/dbraw/zinc/06/26/25/337062625.db2.gz GOCVPDLNOSFADX-HNNXBMFYSA-N 2 1 316.424 2.783 20 10 DFCDMP COc1cc(Cl)cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1O ZINC000228671393 337078196 /nfs/dbraw/zinc/07/81/96/337078196.db2.gz QOBHZQKOWFIJGL-UONOGXRCSA-N 2 1 310.825 2.771 20 10 DFCDMP CC[N@H+]1CC[C@@H](C[NH2+]C2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000163259827 521710458 /nfs/dbraw/zinc/71/04/58/521710458.db2.gz BCDFYOOLIBAVEL-INIZCTEOSA-N 2 1 317.477 2.595 20 10 DFCDMP CCOc1ccc(O)c(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000093598101 193272112 /nfs/dbraw/zinc/27/21/12/193272112.db2.gz HIGJBCCKMXPHTC-HNNXBMFYSA-N 2 1 304.434 2.709 20 10 DFCDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000273613275 130144965 /nfs/dbraw/zinc/14/49/65/130144965.db2.gz WRASXZGMLBQQIV-NWANDNLSSA-N 2 1 320.433 2.702 20 10 DFCDMP CCOc1cccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1O ZINC000093597465 426356595 /nfs/dbraw/zinc/35/65/95/426356595.db2.gz BKGZSNLGTWEYLH-HNNXBMFYSA-N 2 1 304.434 2.709 20 10 DFCDMP Oc1cc2c(cc1C[N@@H+]1CCC[C@@H]([NH+]3CCCC3)CC1)OCO2 ZINC000153466775 426387151 /nfs/dbraw/zinc/38/71/51/426387151.db2.gz OCODKVLNDMPQCQ-OAHLLOKOSA-N 2 1 318.417 2.571 20 10 DFCDMP Oc1cc2c(cc1C[N@H+]1CCC[C@@H]([NH+]3CCCC3)CC1)OCO2 ZINC000153466775 426387153 /nfs/dbraw/zinc/38/71/53/426387153.db2.gz OCODKVLNDMPQCQ-OAHLLOKOSA-N 2 1 318.417 2.571 20 10 DFCDMP Cc1ccc([C@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)c(O)c1C ZINC000282165831 426844240 /nfs/dbraw/zinc/84/42/40/426844240.db2.gz DSNFDTQKGBXWHH-INIZCTEOSA-N 2 1 319.493 2.686 20 10 DFCDMP COc1cc(Cl)cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1O ZINC000252865496 427197113 /nfs/dbraw/zinc/19/71/13/427197113.db2.gz QOBHZQKOWFIJGL-KGLIPLIRSA-N 2 1 310.825 2.771 20 10 DFCDMP CCCOc1ccc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c(O)c1 ZINC000292891321 427205638 /nfs/dbraw/zinc/20/56/38/427205638.db2.gz YXOKRMVMXYDVBA-SFHVURJKSA-N 2 1 304.434 2.709 20 10 DFCDMP CCCOc1ccc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c(O)c1 ZINC000292891321 427205645 /nfs/dbraw/zinc/20/56/45/427205645.db2.gz YXOKRMVMXYDVBA-SFHVURJKSA-N 2 1 304.434 2.709 20 10 DFCDMP CCCOc1ccc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c(O)c1 ZINC000292891321 427205648 /nfs/dbraw/zinc/20/56/48/427205648.db2.gz YXOKRMVMXYDVBA-SFHVURJKSA-N 2 1 304.434 2.709 20 10 DFCDMP COc1cc(Cl)cc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)c1O ZINC000184706000 427525255 /nfs/dbraw/zinc/52/52/55/427525255.db2.gz APYXLQURWHIEDN-NSHDSACASA-N 2 1 323.824 2.985 20 10 DFCDMP C[C@H]([NH2+]C[C@H]1CCCN1C)c1ccc(Br)cc1[O-] ZINC000185142538 427602961 /nfs/dbraw/zinc/60/29/61/427602961.db2.gz IQCDRSXOZPBZSL-CMPLNLGQSA-N 2 1 313.239 2.900 20 10 DFCDMP CCCOc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(O)c1 ZINC000295101020 427691031 /nfs/dbraw/zinc/69/10/31/427691031.db2.gz UZAUOMYCSNJZNY-MQVJKMGUSA-N 2 1 304.434 2.896 20 10 DFCDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000273613260 274003384 /nfs/dbraw/zinc/00/33/84/274003384.db2.gz WRASXZGMLBQQIV-AEGPPILISA-N 2 1 320.433 2.702 20 10 DFCDMP CCOCc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1OC ZINC000363441568 428917103 /nfs/dbraw/zinc/91/71/03/428917103.db2.gz HYGZBBQSCJPXNM-MSOLQXFVSA-N 2 1 318.461 2.948 20 10 DFCDMP CCOCc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)ccc1OC ZINC000363441568 428917106 /nfs/dbraw/zinc/91/71/06/428917106.db2.gz HYGZBBQSCJPXNM-MSOLQXFVSA-N 2 1 318.461 2.948 20 10 DFCDMP CCOc1cccc(C[N@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)c1O ZINC000364668517 429245429 /nfs/dbraw/zinc/24/54/29/429245429.db2.gz AXRPHVDDSLCXIP-AWEZNQCLSA-N 2 1 315.417 2.682 20 10 DFCDMP CCOc1cccc(C[N@@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)c1O ZINC000364668517 429245433 /nfs/dbraw/zinc/24/54/33/429245433.db2.gz AXRPHVDDSLCXIP-AWEZNQCLSA-N 2 1 315.417 2.682 20 10 DFCDMP Cc1cc(O)c(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)cc1C ZINC000365547161 429338406 /nfs/dbraw/zinc/33/84/06/429338406.db2.gz BMJQKQYDEMYSFQ-FGTMMUONSA-N 2 1 300.446 2.925 20 10 DFCDMP Cc1cc(O)c(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)cc1C ZINC000365547161 429338411 /nfs/dbraw/zinc/33/84/11/429338411.db2.gz BMJQKQYDEMYSFQ-FGTMMUONSA-N 2 1 300.446 2.925 20 10 DFCDMP Cc1cc(O)c(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)cc1C ZINC000365547161 429338413 /nfs/dbraw/zinc/33/84/13/429338413.db2.gz BMJQKQYDEMYSFQ-FGTMMUONSA-N 2 1 300.446 2.925 20 10 DFCDMP COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000377689496 337058435 /nfs/dbraw/zinc/05/84/35/337058435.db2.gz BZMDNRXUMFEAPY-STQMWFEESA-N 2 1 301.390 2.511 20 10 DFCDMP COc1ccc(N2CCC[N@@H+](CCC[NH+]3CCCC3)CC2)cc1 ZINC000193475609 337326796 /nfs/dbraw/zinc/32/67/96/337326796.db2.gz BXHLVMZYMAJVHG-UHFFFAOYSA-N 2 1 317.477 2.693 20 10 DFCDMP CCCOc1ccc(C[N@H+]2CC[C@H]3CCN(C)C[C@H]32)c(O)c1 ZINC000272696277 130054164 /nfs/dbraw/zinc/05/41/64/130054164.db2.gz XWIJDVRSRXBFTJ-RHSMWYFYSA-N 2 1 304.434 2.707 20 10 DFCDMP Cc1ccc([C@@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)c(O)c1C ZINC000273615483 130145507 /nfs/dbraw/zinc/14/55/07/130145507.db2.gz XCNDIUFDRHNMRM-QGZVFWFLSA-N 2 1 319.493 2.687 20 10 DFCDMP CC[C@@H]([NH2+]CCCN1CC[NH+](CC)CC1)c1ccc(F)cc1O ZINC000285850817 131205489 /nfs/dbraw/zinc/20/54/89/131205489.db2.gz XUYBYUYWJFGEDS-QGZVFWFLSA-N 2 1 323.456 2.600 20 10 DFCDMP CC[C@H]([NH2+][C@H](C)CCN1CC[NH+](C)CC1)c1ccc(F)cc1O ZINC000286260948 131227587 /nfs/dbraw/zinc/22/75/87/131227587.db2.gz VCVXAVNQBYGVMI-PBHICJAKSA-N 2 1 323.456 2.598 20 10 DFCDMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000290630661 426809664 /nfs/dbraw/zinc/80/96/64/426809664.db2.gz XWTQYGSMCNETEV-UHFFFAOYSA-N 2 1 304.413 2.919 20 10 DFCDMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000290630661 426809668 /nfs/dbraw/zinc/80/96/68/426809668.db2.gz XWTQYGSMCNETEV-UHFFFAOYSA-N 2 1 304.413 2.919 20 10 DFCDMP COc1cc(Cl)cc(C[N@@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)c1O ZINC000184698449 427519953 /nfs/dbraw/zinc/51/99/53/427519953.db2.gz IYDYHHQKHGMCBL-SMDDNHRTSA-N 2 1 312.841 2.969 20 10 DFCDMP COc1ccc(O)c([C@H](C)[NH+]2C[C@@H]3[C@H]4CCCC[N@@H+]4C[C@H]3C2)c1 ZINC000369876544 428080662 /nfs/dbraw/zinc/08/06/62/428080662.db2.gz ATDXGUIIEBUSEL-DFEHZGFQSA-N 2 1 316.445 2.878 20 10 DFCDMP COc1ccc(O)c([C@H](C)[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)c1 ZINC000369876545 428082455 /nfs/dbraw/zinc/08/24/55/428082455.db2.gz ATDXGUIIEBUSEL-LBTBCDHLSA-N 2 1 316.445 2.878 20 10 DFCDMP Cc1cc(O)c(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)cc1C ZINC000365547164 429338750 /nfs/dbraw/zinc/33/87/50/429338750.db2.gz BMJQKQYDEMYSFQ-SQNIBIBYSA-N 2 1 300.446 2.925 20 10 DFCDMP Cc1cc(O)c(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)cc1C ZINC000365547164 429338754 /nfs/dbraw/zinc/33/87/54/429338754.db2.gz BMJQKQYDEMYSFQ-SQNIBIBYSA-N 2 1 300.446 2.925 20 10 DFCDMP Cc1cc(O)c(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)cc1C ZINC000365547164 429338757 /nfs/dbraw/zinc/33/87/57/429338757.db2.gz BMJQKQYDEMYSFQ-SQNIBIBYSA-N 2 1 300.446 2.925 20 10 DFCDMP CCC[N@H+](CC)CC[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000156796397 521608888 /nfs/dbraw/zinc/60/88/88/521608888.db2.gz YLPICBQQNNSDBI-UHFFFAOYSA-N 2 1 319.493 2.986 20 10 DFCDMP CCC[N@@H+](CC)CC[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000156796397 521608891 /nfs/dbraw/zinc/60/88/91/521608891.db2.gz YLPICBQQNNSDBI-UHFFFAOYSA-N 2 1 319.493 2.986 20 10 DFCDMP Cc1cc(C)c([C@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)c(O)c1 ZINC000283979249 131037830 /nfs/dbraw/zinc/03/78/30/131037830.db2.gz GWRGYNYJUFDUTI-KRWDZBQOSA-N 2 1 319.493 2.687 20 10 DFCDMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(OCC)ccc2O)C1 ZINC000093742414 426358654 /nfs/dbraw/zinc/35/86/54/426358654.db2.gz VQXLGGNOPMXRFQ-OAHLLOKOSA-N 2 1 306.450 2.955 20 10 DFCDMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(OCC)ccc2O)C1 ZINC000093742414 426358657 /nfs/dbraw/zinc/35/86/57/426358657.db2.gz VQXLGGNOPMXRFQ-OAHLLOKOSA-N 2 1 306.450 2.955 20 10 DFCDMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(OCC)ccc2O)C1 ZINC000093742414 426358659 /nfs/dbraw/zinc/35/86/59/426358659.db2.gz VQXLGGNOPMXRFQ-OAHLLOKOSA-N 2 1 306.450 2.955 20 10 DFCDMP CC(C)[N@@H+](C)CCC[NH2+]Cc1cc(Br)ccc1O ZINC000227436351 426625879 /nfs/dbraw/zinc/62/58/79/426625879.db2.gz MBFDBCAYURXNHT-UHFFFAOYSA-N 2 1 315.255 2.975 20 10 DFCDMP COc1cccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1O ZINC000246109808 426799835 /nfs/dbraw/zinc/79/98/35/426799835.db2.gz JSLHWKHADNVRMY-WMLDXEAASA-N 2 1 316.445 2.850 20 10 DFCDMP COc1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1O ZINC000246109808 426799840 /nfs/dbraw/zinc/79/98/40/426799840.db2.gz JSLHWKHADNVRMY-WMLDXEAASA-N 2 1 316.445 2.850 20 10 DFCDMP COc1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1O ZINC000246109808 426799844 /nfs/dbraw/zinc/79/98/44/426799844.db2.gz JSLHWKHADNVRMY-WMLDXEAASA-N 2 1 316.445 2.850 20 10 DFCDMP Cc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)c(O)c1 ZINC000278789101 427452365 /nfs/dbraw/zinc/45/23/65/427452365.db2.gz YQKIPCXGWDOZOP-HOTGVXAUSA-N 2 1 306.450 2.852 20 10 DFCDMP C[C@@H]1C[N@H+](CCCC[NH2+][C@H]2CCc3cccc(O)c32)C[C@H](C)O1 ZINC000297869532 427473253 /nfs/dbraw/zinc/47/32/53/427473253.db2.gz UNQYCRSJSOGMKH-UXLLHSPISA-N 2 1 318.461 2.859 20 10 DFCDMP COCCC[NH+]1CCC([NH2+][C@H](C)c2ccc(C)cc2O)CC1 ZINC000185314609 427633279 /nfs/dbraw/zinc/63/32/79/427633279.db2.gz UGAGARAUJGLOQN-OAHLLOKOSA-N 2 1 306.450 2.852 20 10 DFCDMP COc1cc(Cl)cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1O ZINC000294718641 427648585 /nfs/dbraw/zinc/64/85/85/427648585.db2.gz CKOHOMJSSINJHQ-AGUYFDCRSA-N 2 1 310.825 2.769 20 10 DFCDMP COc1cccc(C[NH+]2CCC([NH2+]C3CCCC3)CC2)c1O ZINC000374267403 428671537 /nfs/dbraw/zinc/67/15/37/428671537.db2.gz BSIKRIWXAKZOGS-UHFFFAOYSA-N 2 1 304.434 2.897 20 10 DFCDMP CCOCc1cc(C[NH2+][C@H]2CCc3[nH+]ccn3C2)ccc1OC ZINC000368847357 429898620 /nfs/dbraw/zinc/89/86/20/429898620.db2.gz YBQNLRYZOLTQDB-INIZCTEOSA-N 2 1 315.417 2.533 20 10 DFCDMP CCN(CC)c1ccc(C[NH2+][C@@H]2CCc3[nH+]ccn3C2)cc1F ZINC000361489921 336759009 /nfs/dbraw/zinc/75/90/09/336759009.db2.gz MHALXVWCCIEVIN-OAHLLOKOSA-N 2 1 316.424 2.973 20 10 DFCDMP COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000377689495 337058455 /nfs/dbraw/zinc/05/84/55/337058455.db2.gz BZMDNRXUMFEAPY-QWHCGFSZSA-N 2 1 301.390 2.511 20 10 DFCDMP CCOc1ccc(O)c(C[N@H+](C)C[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000377859671 337062664 /nfs/dbraw/zinc/06/26/64/337062664.db2.gz JANDTCWQFNKUBB-CQSZACIVSA-N 2 1 315.417 2.682 20 10 DFCDMP CCOc1ccc(O)c(C[N@@H+](C)C[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000377859671 337062665 /nfs/dbraw/zinc/06/26/65/337062665.db2.gz JANDTCWQFNKUBB-CQSZACIVSA-N 2 1 315.417 2.682 20 10 DFCDMP CCOc1cccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1O ZINC000245867549 521343794 /nfs/dbraw/zinc/34/37/94/521343794.db2.gz GJSIRCUQTQOTLF-HOCLYGCPSA-N 2 1 304.434 2.707 20 10 DFCDMP CCOc1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1O ZINC000245867549 521343799 /nfs/dbraw/zinc/34/37/99/521343799.db2.gz GJSIRCUQTQOTLF-HOCLYGCPSA-N 2 1 304.434 2.707 20 10 DFCDMP CCOc1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1O ZINC000245867549 521343806 /nfs/dbraw/zinc/34/38/06/521343806.db2.gz GJSIRCUQTQOTLF-HOCLYGCPSA-N 2 1 304.434 2.707 20 10 DFCDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000273613267 130145273 /nfs/dbraw/zinc/14/52/73/130145273.db2.gz WRASXZGMLBQQIV-CFVMTHIKSA-N 2 1 320.433 2.702 20 10 DFCDMP COCC[NH+]1CCC([NH2+][C@H](C)c2c(C)cc(C)cc2O)CC1 ZINC000284045196 131043477 /nfs/dbraw/zinc/04/34/77/131043477.db2.gz KAAXLUHMKFTXJH-OAHLLOKOSA-N 2 1 306.450 2.770 20 10 DFCDMP C[NH+]1CCC[C@@H]1CC[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000163103293 426089717 /nfs/dbraw/zinc/08/97/17/426089717.db2.gz ACOUFCDELIILHY-MSOLQXFVSA-N 2 1 318.461 2.858 20 10 DFCDMP C[NH+]1CCC[C@@H]1CC[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000163103293 426089720 /nfs/dbraw/zinc/08/97/20/426089720.db2.gz ACOUFCDELIILHY-MSOLQXFVSA-N 2 1 318.461 2.858 20 10 DFCDMP Cc1cc(O)c(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc1C ZINC000121103088 426322334 /nfs/dbraw/zinc/32/23/34/426322334.db2.gz MMHDICCPSYUZGN-INIZCTEOSA-N 2 1 320.477 2.534 20 10 DFCDMP CC[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc(C)cc1O ZINC000280294038 426542186 /nfs/dbraw/zinc/54/21/86/426542186.db2.gz ZKQXIPIDGGAQOK-WMZOPIPTSA-N 2 1 320.477 2.978 20 10 DFCDMP CC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc(C)cc1O ZINC000280294025 426542880 /nfs/dbraw/zinc/54/28/80/426542880.db2.gz ZKQXIPIDGGAQOK-FUHWJXTLSA-N 2 1 320.477 2.978 20 10 DFCDMP COc1cc(Cl)cc(CN2CC[C@@H]3CC[N@@H+](C)C[C@H]32)c1O ZINC000273699575 426710299 /nfs/dbraw/zinc/71/02/99/426710299.db2.gz CZKHZHSHBMJERQ-SMDDNHRTSA-N 2 1 310.825 2.580 20 10 DFCDMP CCOc1cccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)c1O ZINC000290630703 426809394 /nfs/dbraw/zinc/80/93/94/426809394.db2.gz XXFCGZQBXPJTED-GDBMZVCRSA-N 2 1 304.434 2.707 20 10 DFCDMP CCOc1cccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c1O ZINC000290630703 426809398 /nfs/dbraw/zinc/80/93/98/426809398.db2.gz XXFCGZQBXPJTED-GDBMZVCRSA-N 2 1 304.434 2.707 20 10 DFCDMP CCOc1cccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c1O ZINC000290630703 426809403 /nfs/dbraw/zinc/80/94/03/426809403.db2.gz XXFCGZQBXPJTED-GDBMZVCRSA-N 2 1 304.434 2.707 20 10 DFCDMP CCOc1ccc(O)c(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1 ZINC000293524502 427352103 /nfs/dbraw/zinc/35/21/03/427352103.db2.gz BHSQAFSEONSOTN-GOSISDBHSA-N 2 1 304.434 2.709 20 10 DFCDMP CCOc1ccc(O)c(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)c1 ZINC000293524502 427352105 /nfs/dbraw/zinc/35/21/05/427352105.db2.gz BHSQAFSEONSOTN-GOSISDBHSA-N 2 1 304.434 2.709 20 10 DFCDMP CCOc1ccc(O)c(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000293524502 427352111 /nfs/dbraw/zinc/35/21/11/427352111.db2.gz BHSQAFSEONSOTN-GOSISDBHSA-N 2 1 304.434 2.709 20 10 DFCDMP Cc1ccc(O)c([C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)c1 ZINC000278424846 427440235 /nfs/dbraw/zinc/44/02/35/427440235.db2.gz GJAQBIZQTKDJRB-JKSUJKDBSA-N 2 1 306.450 2.852 20 10 DFCDMP Cc1ccc(O)c([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)c1 ZINC000278424846 427440238 /nfs/dbraw/zinc/44/02/38/427440238.db2.gz GJAQBIZQTKDJRB-JKSUJKDBSA-N 2 1 306.450 2.852 20 10 DFCDMP C[C@H]([NH2+]C[C@@H]1CCCN1C)c1ccc(Br)cc1[O-] ZINC000185142502 427602499 /nfs/dbraw/zinc/60/24/99/427602499.db2.gz IQCDRSXOZPBZSL-JQWIXIFHSA-N 2 1 313.239 2.900 20 10 DFCDMP CC[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(C)cc1O ZINC000280034628 280186847 /nfs/dbraw/zinc/18/68/47/280186847.db2.gz IICOLGRNGNKPIX-GOSISDBHSA-N 2 1 319.493 2.769 20 10 DFCDMP CN(C)c1ccc(C[N@H+]2CCC[C@H](Cc3nccn3C)C2)cc1 ZINC000182088071 337184205 /nfs/dbraw/zinc/18/42/05/337184205.db2.gz FMBYKYZVZUTLGN-QGZVFWFLSA-N 2 1 312.461 2.941 20 10 DFCDMP CC[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccccc1O ZINC000155774346 522579629 /nfs/dbraw/zinc/57/96/29/522579629.db2.gz AUHPDSFZZFWZCD-WBVHZDCISA-N 2 1 306.450 2.670 20 10 DFCDMP [O-]c1c(F)cccc1C[N@H+]1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000272373234 130023589 /nfs/dbraw/zinc/02/35/89/130023589.db2.gz GXOQCVVMBLJWAW-SUMWQHHRSA-N 2 1 304.409 2.980 20 10 DFCDMP COc1ccc(C[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1C ZINC000067452770 425910850 /nfs/dbraw/zinc/91/08/50/425910850.db2.gz BEPDWVDTXHAEPG-CALCHBBNSA-N 2 1 320.477 2.983 20 10 DFCDMP COc1ccc(O)c(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c1 ZINC000290295097 426733799 /nfs/dbraw/zinc/73/37/99/426733799.db2.gz ASQFVQVWTCSBEV-OAHLLOKOSA-N 2 1 304.434 2.565 20 10 DFCDMP COc1cc(Cl)cc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)c1O ZINC000290298830 426737234 /nfs/dbraw/zinc/73/72/34/426737234.db2.gz BBFBNRCSAOQPGF-IUODEOHRSA-N 2 1 324.852 2.970 20 10 DFCDMP COc1cc(Cl)cc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c1O ZINC000290298830 426737238 /nfs/dbraw/zinc/73/72/38/426737238.db2.gz BBFBNRCSAOQPGF-IUODEOHRSA-N 2 1 324.852 2.970 20 10 DFCDMP COc1cc(Cl)cc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c1O ZINC000290298830 426737243 /nfs/dbraw/zinc/73/72/43/426737243.db2.gz BBFBNRCSAOQPGF-IUODEOHRSA-N 2 1 324.852 2.970 20 10 DFCDMP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000293530470 427354322 /nfs/dbraw/zinc/35/43/22/427354322.db2.gz DWSWTXBJAKTUMB-LBPRGKRZSA-N 2 1 318.820 2.631 20 10 DFCDMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000278409698 427434608 /nfs/dbraw/zinc/43/46/08/427434608.db2.gz FEKIJWCOSKYNHB-DLBZAZTESA-N 2 1 319.493 2.904 20 10 DFCDMP COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)c1 ZINC000279004374 427527239 /nfs/dbraw/zinc/52/72/39/427527239.db2.gz RYPIXGRFMZCPBL-STQMWFEESA-N 2 1 301.390 2.511 20 10 DFCDMP COc1ccc(O)c([C@H](C)[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000368806448 429895918 /nfs/dbraw/zinc/89/59/18/429895918.db2.gz NVSXTJJBAIKRLO-VBQJREDUSA-N 2 1 304.434 2.878 20 10 DFCDMP COc1ccc(O)c([C@H](C)[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000368806448 429895920 /nfs/dbraw/zinc/89/59/20/429895920.db2.gz NVSXTJJBAIKRLO-VBQJREDUSA-N 2 1 304.434 2.878 20 10 DFCDMP COc1ccc(O)c([C@H](C)[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000368806448 429895921 /nfs/dbraw/zinc/89/59/21/429895921.db2.gz NVSXTJJBAIKRLO-VBQJREDUSA-N 2 1 304.434 2.878 20 10 DFCDMP CCOc1cccc(C[N@H+](C)CCCn2cc[nH+]c2C)c1O ZINC000290477793 334172996 /nfs/dbraw/zinc/17/29/96/334172996.db2.gz NWPGFKGAPFCUMW-UHFFFAOYSA-N 2 1 303.406 2.818 20 10 DFCDMP CCOc1cccc(C[N@@H+](C)CCCn2cc[nH+]c2C)c1O ZINC000290477793 334172998 /nfs/dbraw/zinc/17/29/98/334172998.db2.gz NWPGFKGAPFCUMW-UHFFFAOYSA-N 2 1 303.406 2.818 20 10 DFCDMP CCOc1cccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1O ZINC000156095451 521344770 /nfs/dbraw/zinc/34/47/70/521344770.db2.gz GJSIRCUQTQOTLF-ZBFHGGJFSA-N 2 1 304.434 2.707 20 10 DFCDMP CCOc1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1O ZINC000156095451 521344784 /nfs/dbraw/zinc/34/47/84/521344784.db2.gz GJSIRCUQTQOTLF-ZBFHGGJFSA-N 2 1 304.434 2.707 20 10 DFCDMP CCOc1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1O ZINC000156095451 521344797 /nfs/dbraw/zinc/34/47/97/521344797.db2.gz GJSIRCUQTQOTLF-ZBFHGGJFSA-N 2 1 304.434 2.707 20 10 DFCDMP Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCCC2)c(O)c1 ZINC000284281286 131066240 /nfs/dbraw/zinc/06/62/40/131066240.db2.gz XJOSBSJOLLNWSW-HZPDHXFCSA-N 2 1 306.450 2.506 20 10 DFCDMP CC[C@@H]([NH2+][C@H](C)CCN1CC[NH+](C)CC1)c1ccc(F)cc1O ZINC000286260955 131227107 /nfs/dbraw/zinc/22/71/07/131227107.db2.gz VCVXAVNQBYGVMI-RHSMWYFYSA-N 2 1 323.456 2.598 20 10 DFCDMP COc1cc(Cl)cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1O ZINC000252865493 427197312 /nfs/dbraw/zinc/19/73/12/427197312.db2.gz QOBHZQKOWFIJGL-KBPBESRZSA-N 2 1 310.825 2.771 20 10 DFCDMP Cc1ccc(O)c([C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)c1 ZINC000278424845 427439305 /nfs/dbraw/zinc/43/93/05/427439305.db2.gz GJAQBIZQTKDJRB-HZPDHXFCSA-N 2 1 306.450 2.852 20 10 DFCDMP Cc1ccc(O)c([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)c1 ZINC000278424845 427439312 /nfs/dbraw/zinc/43/93/12/427439312.db2.gz GJAQBIZQTKDJRB-HZPDHXFCSA-N 2 1 306.450 2.852 20 10 DFCDMP CC[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccccc1O ZINC000278476815 427442230 /nfs/dbraw/zinc/44/22/30/427442230.db2.gz KFJDHDSYYDFTJB-RDJZCZTQSA-N 2 1 306.450 2.934 20 10 DFCDMP C[N@@H+]1CC=C(C[NH2+]Cc2cc(Br)ccc2O)CC1 ZINC000271806180 427584952 /nfs/dbraw/zinc/58/49/52/427584952.db2.gz AYEKBNLZDKRGQU-UHFFFAOYSA-N 2 1 311.223 2.506 20 10 DFCDMP Cc1cc(O)c(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1C ZINC000372190061 428422697 /nfs/dbraw/zinc/42/26/97/428422697.db2.gz AUSXUBSNMHWQLA-ZIFCJYIRSA-N 2 1 318.461 2.693 20 10 DFCDMP CC[NH+](CC)[C@@H](C)C[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000127572684 337421446 /nfs/dbraw/zinc/42/14/46/337421446.db2.gz UYAZSSSVRLGLAW-INIZCTEOSA-N 2 1 319.493 2.984 20 10 DFCDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(OC)c(OC)cc2O)[C@H](C)C1 ZINC000180415537 521713846 /nfs/dbraw/zinc/71/38/46/521713846.db2.gz KKDYNTZKCGQQNL-UKRRQHHQSA-N 2 1 322.449 2.572 20 10 DFCDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(OC)c(OC)cc2O)[C@H](C)C1 ZINC000180415537 521713848 /nfs/dbraw/zinc/71/38/48/521713848.db2.gz KKDYNTZKCGQQNL-UKRRQHHQSA-N 2 1 322.449 2.572 20 10 DFCDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(OC)c(OC)cc2O)[C@H](C)C1 ZINC000180415537 521713849 /nfs/dbraw/zinc/71/38/49/521713849.db2.gz KKDYNTZKCGQQNL-UKRRQHHQSA-N 2 1 322.449 2.572 20 10 DFCDMP CCOc1ccc(O)c(C[N@@H+](C)[C@@H]2CC[NH+](CC)C[C@H]2C)c1 ZINC000093639573 426358290 /nfs/dbraw/zinc/35/82/90/426358290.db2.gz WBLHCNCMRDYMOW-RHSMWYFYSA-N 2 1 306.450 2.953 20 10 DFCDMP CCOc1ccc(O)c(C[NH+](C)[C@@H]2CC[N@H+](CC)C[C@H]2C)c1 ZINC000093639573 426358293 /nfs/dbraw/zinc/35/82/93/426358293.db2.gz WBLHCNCMRDYMOW-RHSMWYFYSA-N 2 1 306.450 2.953 20 10 DFCDMP CCOc1ccc(O)c(C[NH+](C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)c1 ZINC000093639573 426358295 /nfs/dbraw/zinc/35/82/95/426358295.db2.gz WBLHCNCMRDYMOW-RHSMWYFYSA-N 2 1 306.450 2.953 20 10 DFCDMP CCCOc1ccc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c(O)c1 ZINC000292891314 427203676 /nfs/dbraw/zinc/20/36/76/427203676.db2.gz YXOKRMVMXYDVBA-GOSISDBHSA-N 2 1 304.434 2.709 20 10 DFCDMP CCCOc1ccc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c(O)c1 ZINC000292891314 427203682 /nfs/dbraw/zinc/20/36/82/427203682.db2.gz YXOKRMVMXYDVBA-GOSISDBHSA-N 2 1 304.434 2.709 20 10 DFCDMP CCCOc1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c(O)c1 ZINC000292891314 427203687 /nfs/dbraw/zinc/20/36/87/427203687.db2.gz YXOKRMVMXYDVBA-GOSISDBHSA-N 2 1 304.434 2.709 20 10 DFCDMP COc1ccc(O)c([C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)c1 ZINC000278795755 427455132 /nfs/dbraw/zinc/45/51/32/427455132.db2.gz YXRAEENEHYOIBB-GJZGRUSLSA-N 2 1 322.449 2.552 20 10 DFCDMP COc1ccc(O)c([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)c1 ZINC000278795755 427455138 /nfs/dbraw/zinc/45/51/38/427455138.db2.gz YXRAEENEHYOIBB-GJZGRUSLSA-N 2 1 322.449 2.552 20 10 DFCDMP COCCC[NH+]1CCC([NH2+][C@@H](C)c2cc(F)ccc2O)CC1 ZINC000185314757 427631837 /nfs/dbraw/zinc/63/18/37/427631837.db2.gz RMBWSYGIHCSAER-ZDUSSCGKSA-N 2 1 310.413 2.683 20 10 DFCDMP COCCC[NH+]1CCC([NH2+][C@H](C)c2cc(C)ccc2O)CC1 ZINC000185314340 427633168 /nfs/dbraw/zinc/63/31/68/427633168.db2.gz HGOQYXMRTMTMTC-OAHLLOKOSA-N 2 1 306.450 2.852 20 10 DFCDMP COCCC[NH+]1CCC([NH2+][C@@H](C)c2cc(OC)ccc2O)CC1 ZINC000185314415 427633613 /nfs/dbraw/zinc/63/36/13/427633613.db2.gz SAPIQUPLBJILNZ-AWEZNQCLSA-N 2 1 322.449 2.552 20 10 DFCDMP COc1ccc(O)c([C@H](C)[NH+]2C[C@H]3[C@H](C2)C[N@H+]2CCCC[C@@H]32)c1 ZINC000369876546 428081384 /nfs/dbraw/zinc/08/13/84/428081384.db2.gz ATDXGUIIEBUSEL-USJZOSNVSA-N 2 1 316.445 2.878 20 10 DFCDMP Cc1cc(O)c(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1C ZINC000372190059 428421899 /nfs/dbraw/zinc/42/18/99/428421899.db2.gz AUSXUBSNMHWQLA-YQVWRLOYSA-N 2 1 318.461 2.693 20 10 DFCDMP COc1cc(O)c(C[NH2+]C2CC([NH+]3CCCCC3)C2)cc1OC ZINC000373463673 428584113 /nfs/dbraw/zinc/58/41/13/428584113.db2.gz AMGZECDQQIOIFU-UHFFFAOYSA-N 2 1 320.433 2.516 20 10 DFCDMP CCOc1cccc(C[N@H+]2CCCC23CC[NH+](C)CC3)c1O ZINC000368966970 429904689 /nfs/dbraw/zinc/90/46/89/429904689.db2.gz SZZGREPUKMEVCY-UHFFFAOYSA-N 2 1 304.434 2.851 20 10 DFCDMP Cc1cc(C)c([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c(O)c1 ZINC000293796490 335117268 /nfs/dbraw/zinc/11/72/68/335117268.db2.gz QWSXTXWLIMPXCQ-DLBZAZTESA-N 2 1 320.477 2.897 20 10 DFCDMP CCOc1ccc(O)c(C[N@H+](C)C[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000377859670 337062724 /nfs/dbraw/zinc/06/27/24/337062724.db2.gz JANDTCWQFNKUBB-AWEZNQCLSA-N 2 1 315.417 2.682 20 10 DFCDMP CCOc1ccc(O)c(C[N@@H+](C)C[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000377859670 337062725 /nfs/dbraw/zinc/06/27/25/337062725.db2.gz JANDTCWQFNKUBB-AWEZNQCLSA-N 2 1 315.417 2.682 20 10 DFCDMP COc1ccc(O)c([C@@H](C)[N@H+](C)C[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000377860821 337062961 /nfs/dbraw/zinc/06/29/61/337062961.db2.gz OFMQMGVADRXLEH-ZIAGYGMSSA-N 2 1 315.417 2.853 20 10 DFCDMP COc1ccc(O)c([C@@H](C)[N@@H+](C)C[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000377860821 337062962 /nfs/dbraw/zinc/06/29/62/337062962.db2.gz OFMQMGVADRXLEH-ZIAGYGMSSA-N 2 1 315.417 2.853 20 10 DFCDMP COc1cc(O)c(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1OC ZINC000180439396 522769716 /nfs/dbraw/zinc/76/97/16/522769716.db2.gz VLPYYQQLJNZTCT-HNNXBMFYSA-N 2 1 322.449 2.716 20 10 DFCDMP COc1cc(O)c(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1OC ZINC000180439396 522769729 /nfs/dbraw/zinc/76/97/29/522769729.db2.gz VLPYYQQLJNZTCT-HNNXBMFYSA-N 2 1 322.449 2.716 20 10 DFCDMP COc1cc(O)c(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)cc1OC ZINC000180439396 522769741 /nfs/dbraw/zinc/76/97/41/522769741.db2.gz VLPYYQQLJNZTCT-HNNXBMFYSA-N 2 1 322.449 2.716 20 10 DFCDMP COc1cc(O)c(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)cc1OC ZINC000180439396 522769750 /nfs/dbraw/zinc/76/97/50/522769750.db2.gz VLPYYQQLJNZTCT-HNNXBMFYSA-N 2 1 322.449 2.716 20 10 DFCDMP COc1ccc(O)c([C@H](C)[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000368806449 524769775 /nfs/dbraw/zinc/76/97/75/524769775.db2.gz NVSXTJJBAIKRLO-ZQIUZPCESA-N 2 1 304.434 2.878 20 10 DFCDMP COc1ccc(O)c([C@H](C)[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000368806449 524769785 /nfs/dbraw/zinc/76/97/85/524769785.db2.gz NVSXTJJBAIKRLO-ZQIUZPCESA-N 2 1 304.434 2.878 20 10 DFCDMP COc1ccc(O)c([C@H](C)[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000368806449 524769793 /nfs/dbraw/zinc/76/97/93/524769793.db2.gz NVSXTJJBAIKRLO-ZQIUZPCESA-N 2 1 304.434 2.878 20 10 DFCDMP COc1cccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1O ZINC000092066781 193152019 /nfs/dbraw/zinc/15/20/19/193152019.db2.gz JSLHWKHADNVRMY-RHSMWYFYSA-N 2 1 316.445 2.850 20 10 DFCDMP COc1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1O ZINC000092066781 193152020 /nfs/dbraw/zinc/15/20/20/193152020.db2.gz JSLHWKHADNVRMY-RHSMWYFYSA-N 2 1 316.445 2.850 20 10 DFCDMP COc1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1O ZINC000092066781 193152021 /nfs/dbraw/zinc/15/20/21/193152021.db2.gz JSLHWKHADNVRMY-RHSMWYFYSA-N 2 1 316.445 2.850 20 10 DFCDMP CCCOc1ccc(C[N@H+]2CC[C@@H]3CCN(C)C[C@H]32)c(O)c1 ZINC000272696278 130053914 /nfs/dbraw/zinc/05/39/14/130053914.db2.gz XWIJDVRSRXBFTJ-WMLDXEAASA-N 2 1 304.434 2.707 20 10 DFCDMP CCCOc1ccc(C[N@H+]2CC[C@@H]3CCN(C)C[C@@H]32)c(O)c1 ZINC000272696279 130054939 /nfs/dbraw/zinc/05/49/39/130054939.db2.gz XWIJDVRSRXBFTJ-YOEHRIQHSA-N 2 1 304.434 2.707 20 10 DFCDMP Cc1ccc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c(O)c1C ZINC000273619818 130144814 /nfs/dbraw/zinc/14/48/14/130144814.db2.gz YQLQHIZPWNTZME-DLBZAZTESA-N 2 1 320.477 2.897 20 10 DFCDMP CC[C@H]([NH2+]C1CC[NH+](CCOC)CC1)c1ccc(N(C)C)cc1 ZINC000154851619 426457063 /nfs/dbraw/zinc/45/70/63/426457063.db2.gz BUBCWKMHACVDSJ-IBGZPJMESA-N 2 1 319.493 2.904 20 10 DFCDMP COc1cc(Cl)cc(C[N@@H+](C)[C@@H]2CCN(C)C[C@@H]2C)c1O ZINC000290409295 426758760 /nfs/dbraw/zinc/75/87/60/426758760.db2.gz JXTMHPUWHKJIFC-SMDDNHRTSA-N 2 1 312.841 2.826 20 10 DFCDMP Oc1ccc(F)cc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246001474 426790683 /nfs/dbraw/zinc/79/06/83/426790683.db2.gz RXGRYKOXHGVWGI-SUMWQHHRSA-N 2 1 304.409 2.980 20 10 DFCDMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1O ZINC000183463868 427273781 /nfs/dbraw/zinc/27/37/81/427273781.db2.gz KMYOJRDYFPQJBX-XHSDSOJGSA-N 2 1 306.450 2.932 20 10 DFCDMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2cc(F)ccc2O)CC1 ZINC000185014905 427577097 /nfs/dbraw/zinc/57/70/97/427577097.db2.gz VNZSEUUQGFTQFY-OAHLLOKOSA-N 2 1 323.456 2.600 20 10 DFCDMP CC[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(N(C)C)cc1 ZINC000372064295 428412573 /nfs/dbraw/zinc/41/25/73/428412573.db2.gz BAEFRTKKOIQBHE-OTWHNJEPSA-N 2 1 317.477 2.657 20 10 DFCDMP CC[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(N(C)C)cc1 ZINC000372064295 428412578 /nfs/dbraw/zinc/41/25/78/428412578.db2.gz BAEFRTKKOIQBHE-OTWHNJEPSA-N 2 1 317.477 2.657 20 10 DFCDMP Cc1cc(O)c(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)cc1C ZINC000365547162 429339255 /nfs/dbraw/zinc/33/92/55/429339255.db2.gz BMJQKQYDEMYSFQ-KURKYZTESA-N 2 1 300.446 2.925 20 10 DFCDMP Cc1cc(O)c(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)cc1C ZINC000365547162 429339259 /nfs/dbraw/zinc/33/92/59/429339259.db2.gz BMJQKQYDEMYSFQ-KURKYZTESA-N 2 1 300.446 2.925 20 10 DFCDMP Cc1cc(O)c(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)cc1C ZINC000365547162 429339261 /nfs/dbraw/zinc/33/92/61/429339261.db2.gz BMJQKQYDEMYSFQ-KURKYZTESA-N 2 1 300.446 2.925 20 10 DFCDMP CCOc1ccc(O)c(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)c1 ZINC000367472255 429658379 /nfs/dbraw/zinc/65/83/79/429658379.db2.gz HGMGASMYAGXTNL-NJAFHUGGSA-N 2 1 316.445 2.707 20 10 DFCDMP CCOc1ccc(O)c(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)c1 ZINC000367472255 429658381 /nfs/dbraw/zinc/65/83/81/429658381.db2.gz HGMGASMYAGXTNL-NJAFHUGGSA-N 2 1 316.445 2.707 20 10 DFCDMP COc1cc(Cl)cc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1O ZINC000184703150 333364836 /nfs/dbraw/zinc/36/48/36/333364836.db2.gz RIARCGSRYMQMQH-WFASDCNBSA-N 2 1 324.852 2.970 20 10 DFCDMP COc1cc(Cl)cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1O ZINC000184703150 333364837 /nfs/dbraw/zinc/36/48/37/333364837.db2.gz RIARCGSRYMQMQH-WFASDCNBSA-N 2 1 324.852 2.970 20 10 DFCDMP COc1cc(Cl)cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1O ZINC000184703150 333364838 /nfs/dbraw/zinc/36/48/38/333364838.db2.gz RIARCGSRYMQMQH-WFASDCNBSA-N 2 1 324.852 2.970 20 10 DFCDMP CCOCc1cc(C[NH2+][C@@H]2CCc3[nH+]ccn3C2)ccc1OC ZINC000368847358 336853870 /nfs/dbraw/zinc/85/38/70/336853870.db2.gz YBQNLRYZOLTQDB-MRXNPFEDSA-N 2 1 315.417 2.533 20 10 DFCDMP CCOc1cccc(C[N@H+](C)C[C@@H]2CCn3cc[nH+]c3C2)c1O ZINC000377857734 337062792 /nfs/dbraw/zinc/06/27/92/337062792.db2.gz UIEUPMQXODDEDP-CQSZACIVSA-N 2 1 315.417 2.682 20 10 DFCDMP CCOc1cccc(C[N@@H+](C)C[C@@H]2CCn3cc[nH+]c3C2)c1O ZINC000377857734 337062793 /nfs/dbraw/zinc/06/27/93/337062793.db2.gz UIEUPMQXODDEDP-CQSZACIVSA-N 2 1 315.417 2.682 20 10 DFCDMP Oc1ccc(F)cc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000180283981 526349836 /nfs/dbraw/zinc/34/98/36/526349836.db2.gz RXGRYKOXHGVWGI-CXAGYDPISA-N 2 1 304.409 2.980 20 10 DFCDMP Oc1ccc(F)cc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000180283981 526349842 /nfs/dbraw/zinc/34/98/42/526349842.db2.gz RXGRYKOXHGVWGI-CXAGYDPISA-N 2 1 304.409 2.980 20 10 DFCDMP Oc1ccc(F)cc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000180283981 526349845 /nfs/dbraw/zinc/34/98/45/526349845.db2.gz RXGRYKOXHGVWGI-CXAGYDPISA-N 2 1 304.409 2.980 20 10 DFCDMP Cc1ccc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)c(O)c1C ZINC000273619825 130145281 /nfs/dbraw/zinc/14/52/81/130145281.db2.gz YQLQHIZPWNTZME-IRXDYDNUSA-N 2 1 320.477 2.897 20 10 DFCDMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cc(OC)c(OC)cc1O ZINC000289403462 131383499 /nfs/dbraw/zinc/38/34/99/131383499.db2.gz GTWAGSMKNSUWKB-UHFFFAOYSA-N 2 1 322.449 2.717 20 10 DFCDMP CCOc1cccc(C[N@@H+](C)[C@@H]2CC[NH+](CC)C[C@H]2C)c1O ZINC000093639031 426358263 /nfs/dbraw/zinc/35/82/63/426358263.db2.gz ZEKGEENYDNRFEN-GDBMZVCRSA-N 2 1 306.450 2.953 20 10 DFCDMP CCOc1cccc(C[NH+](C)[C@@H]2CC[N@H+](CC)C[C@H]2C)c1O ZINC000093639031 426358264 /nfs/dbraw/zinc/35/82/64/426358264.db2.gz ZEKGEENYDNRFEN-GDBMZVCRSA-N 2 1 306.450 2.953 20 10 DFCDMP CCOc1cccc(C[NH+](C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)c1O ZINC000093639031 426358266 /nfs/dbraw/zinc/35/82/66/426358266.db2.gz ZEKGEENYDNRFEN-GDBMZVCRSA-N 2 1 306.450 2.953 20 10 DFCDMP CCOc1ccc(O)c(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC000289821724 426676016 /nfs/dbraw/zinc/67/60/16/426676016.db2.gz UALXJIDMJDREIO-XYPWUTKMSA-N 2 1 304.434 2.848 20 10 DFCDMP CCOc1ccc(O)c(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000289821724 426676019 /nfs/dbraw/zinc/67/60/19/426676019.db2.gz UALXJIDMJDREIO-XYPWUTKMSA-N 2 1 304.434 2.848 20 10 DFCDMP CCOc1ccc(O)c(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000289821724 426676020 /nfs/dbraw/zinc/67/60/20/426676020.db2.gz UALXJIDMJDREIO-XYPWUTKMSA-N 2 1 304.434 2.848 20 10 DFCDMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccccc2O)CC1 ZINC000179582314 426801950 /nfs/dbraw/zinc/80/19/50/426801950.db2.gz MAAOIFSWQASGEJ-UHFFFAOYSA-N 2 1 320.477 2.963 20 10 DFCDMP Cc1ccc([C@@H](C)[NH2+]CC2CCN(CC[NH+](C)C)CC2)c(O)c1 ZINC000185353191 427640112 /nfs/dbraw/zinc/64/01/12/427640112.db2.gz GERONIJXCQQYHN-MRXNPFEDSA-N 2 1 319.493 2.625 20 10 DFCDMP Oc1ccc(Cl)cc1C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000371402925 428389045 /nfs/dbraw/zinc/38/90/45/428389045.db2.gz FPYIURFMEWVYFC-VNQPRFMTSA-N 2 1 306.837 2.962 20 10 DFCDMP Oc1ccc(Cl)cc1C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000371402925 428389047 /nfs/dbraw/zinc/38/90/47/428389047.db2.gz FPYIURFMEWVYFC-VNQPRFMTSA-N 2 1 306.837 2.962 20 10 DFCDMP Oc1ccc(Cl)cc1C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000371402925 428389052 /nfs/dbraw/zinc/38/90/52/428389052.db2.gz FPYIURFMEWVYFC-VNQPRFMTSA-N 2 1 306.837 2.962 20 10 DFCDMP Oc1ccc(Cl)cc1C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000371402925 428389056 /nfs/dbraw/zinc/38/90/56/428389056.db2.gz FPYIURFMEWVYFC-VNQPRFMTSA-N 2 1 306.837 2.962 20 10 DFCDMP C[N@@H+](Cc1cc(F)ccc1O)C1CC[NH+](C2CCOCC2)CC1 ZINC000361048805 428532654 /nfs/dbraw/zinc/53/26/54/428532654.db2.gz AQEPNYGPANBBKL-UHFFFAOYSA-N 2 1 322.424 2.607 20 10 DFCDMP CCOc1ccc(O)c(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)c1 ZINC000367472254 429656289 /nfs/dbraw/zinc/65/62/89/429656289.db2.gz HGMGASMYAGXTNL-BPQIPLTHSA-N 2 1 316.445 2.707 20 10 DFCDMP CCOc1ccc(O)c(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)c1 ZINC000367472254 429656294 /nfs/dbraw/zinc/65/62/94/429656294.db2.gz HGMGASMYAGXTNL-BPQIPLTHSA-N 2 1 316.445 2.707 20 10 DFCDMP COc1cc(Cl)cc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1O ZINC000228671025 337078140 /nfs/dbraw/zinc/07/81/40/337078140.db2.gz WILFZJQRORRYKS-LLVKDONJSA-N 2 1 310.825 2.628 20 10 DFCDMP COc1cc(Cl)cc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1O ZINC000228671019 337078152 /nfs/dbraw/zinc/07/81/52/337078152.db2.gz WILFZJQRORRYKS-NSHDSACASA-N 2 1 310.825 2.628 20 10 DFCDMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(Br)ccc2O)C1 ZINC000227438165 337205071 /nfs/dbraw/zinc/20/50/71/337205071.db2.gz CKZVFPFHLBDKRM-NSHDSACASA-N 2 1 313.239 2.586 20 10 DFCDMP COc1cc(Cl)cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1O ZINC000248888047 522537761 /nfs/dbraw/zinc/53/77/61/522537761.db2.gz RIARCGSRYMQMQH-IUODEOHRSA-N 2 1 324.852 2.970 20 10 DFCDMP COc1cc(Cl)cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1O ZINC000248888047 522537773 /nfs/dbraw/zinc/53/77/73/522537773.db2.gz RIARCGSRYMQMQH-IUODEOHRSA-N 2 1 324.852 2.970 20 10 DFCDMP COc1cc(Cl)cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1O ZINC000248888047 522537781 /nfs/dbraw/zinc/53/77/81/522537781.db2.gz RIARCGSRYMQMQH-IUODEOHRSA-N 2 1 324.852 2.970 20 10 DFCDMP COc1cc(Cl)cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1O ZINC000248888047 522537786 /nfs/dbraw/zinc/53/77/86/522537786.db2.gz RIARCGSRYMQMQH-IUODEOHRSA-N 2 1 324.852 2.970 20 10 DFCDMP COc1ccc(O)c([C@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)c1 ZINC000179670919 524771930 /nfs/dbraw/zinc/77/19/30/524771930.db2.gz WWTSMISAFOFKQC-STQMWFEESA-N 2 1 303.406 2.893 20 10 DFCDMP CCOc1ccc(O)c(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)c1 ZINC000093537652 398640772 /nfs/dbraw/zinc/64/07/72/398640772.db2.gz HGMGASMYAGXTNL-KBAYOESNSA-N 2 1 316.445 2.707 20 10 DFCDMP CCOc1ccc(O)c(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)c1 ZINC000093537652 398640776 /nfs/dbraw/zinc/64/07/76/398640776.db2.gz HGMGASMYAGXTNL-KBAYOESNSA-N 2 1 316.445 2.707 20 10 DFCDMP CCOc1ccc(O)c(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)c1 ZINC000093537652 398640777 /nfs/dbraw/zinc/64/07/77/398640777.db2.gz HGMGASMYAGXTNL-KBAYOESNSA-N 2 1 316.445 2.707 20 10 DFCDMP Oc1ccc(Cl)cc1C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000093536958 398641546 /nfs/dbraw/zinc/64/15/46/398641546.db2.gz FPYIURFMEWVYFC-FVQBIDKESA-N 2 1 306.837 2.962 20 10 DFCDMP Oc1ccc(Cl)cc1C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000093536958 398641548 /nfs/dbraw/zinc/64/15/48/398641548.db2.gz FPYIURFMEWVYFC-FVQBIDKESA-N 2 1 306.837 2.962 20 10 DFCDMP Oc1ccc(Cl)cc1C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000093536958 398641551 /nfs/dbraw/zinc/64/15/51/398641551.db2.gz FPYIURFMEWVYFC-FVQBIDKESA-N 2 1 306.837 2.962 20 10 DFCDMP Oc1ccc(Cl)cc1C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000093536958 398641552 /nfs/dbraw/zinc/64/15/52/398641552.db2.gz FPYIURFMEWVYFC-FVQBIDKESA-N 2 1 306.837 2.962 20 10 DFCDMP COc1cccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1O ZINC000092066783 193152782 /nfs/dbraw/zinc/15/27/82/193152782.db2.gz JSLHWKHADNVRMY-PBHICJAKSA-N 2 1 316.445 2.850 20 10 DFCDMP COc1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1O ZINC000092066783 193152784 /nfs/dbraw/zinc/15/27/84/193152784.db2.gz JSLHWKHADNVRMY-PBHICJAKSA-N 2 1 316.445 2.850 20 10 DFCDMP COc1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1O ZINC000092066783 193152786 /nfs/dbraw/zinc/15/27/86/193152786.db2.gz JSLHWKHADNVRMY-PBHICJAKSA-N 2 1 316.445 2.850 20 10 DFCDMP CCCOc1ccc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c(O)c1 ZINC000092253791 193180309 /nfs/dbraw/zinc/18/03/09/193180309.db2.gz UJZRXEDSLVQWOB-OAHLLOKOSA-N 2 1 306.450 2.955 20 10 DFCDMP CCCOc1ccc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c(O)c1 ZINC000092253791 193180310 /nfs/dbraw/zinc/18/03/10/193180310.db2.gz UJZRXEDSLVQWOB-OAHLLOKOSA-N 2 1 306.450 2.955 20 10 DFCDMP CCCOc1ccc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c(O)c1 ZINC000092253791 193180311 /nfs/dbraw/zinc/18/03/11/193180311.db2.gz UJZRXEDSLVQWOB-OAHLLOKOSA-N 2 1 306.450 2.955 20 10 DFCDMP Cc1cc(C)c([C@@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)c(O)c1 ZINC000283979254 131037848 /nfs/dbraw/zinc/03/78/48/131037848.db2.gz GWRGYNYJUFDUTI-QGZVFWFLSA-N 2 1 319.493 2.687 20 10 DFCDMP Cc1cc(C)c([C@@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)c(O)c1 ZINC000285020740 131131636 /nfs/dbraw/zinc/13/16/36/131131636.db2.gz HKFAQIRAGQQODZ-MRXNPFEDSA-N 2 1 319.493 2.686 20 10 DFCDMP CC[C@H]([NH2+]C1CC[NH+](CCOC)CC1)c1ccc(C)cc1O ZINC000280142338 426505920 /nfs/dbraw/zinc/50/59/20/426505920.db2.gz PSNKEACXLZSTNV-KRWDZBQOSA-N 2 1 306.450 2.852 20 10 DFCDMP CCCOc1ccc(C[N@@H+](C)[C@@H]2CCN(C)C[C@@H]2C)c(O)c1 ZINC000290427434 426763052 /nfs/dbraw/zinc/76/30/52/426763052.db2.gz LESZTPBBHCRWLI-WMLDXEAASA-N 2 1 306.450 2.953 20 10 DFCDMP CCCOc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)c(O)c1 ZINC000290427434 426763062 /nfs/dbraw/zinc/76/30/62/426763062.db2.gz LESZTPBBHCRWLI-WMLDXEAASA-N 2 1 306.450 2.953 20 10 DFCDMP CCCOc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)c(O)c1 ZINC000290427434 426763068 /nfs/dbraw/zinc/76/30/68/426763068.db2.gz LESZTPBBHCRWLI-WMLDXEAASA-N 2 1 306.450 2.953 20 10 DFCDMP Cc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)c(O)c1 ZINC000278789096 427451813 /nfs/dbraw/zinc/45/18/13/427451813.db2.gz YQKIPCXGWDOZOP-CVEARBPZSA-N 2 1 306.450 2.852 20 10 DFCDMP COc1cc(Cl)cc(C[N@@H+](C)[C@H]2CCN(C)[C@H](C)C2)c1O ZINC000184698469 427520483 /nfs/dbraw/zinc/52/04/83/427520483.db2.gz IYDYHHQKHGMCBL-RISCZKNCSA-N 2 1 312.841 2.969 20 10 DFCDMP CC[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(C)cc1O ZINC000280007375 427727386 /nfs/dbraw/zinc/72/73/86/427727386.db2.gz GLPQWZOSDXIADW-QGZVFWFLSA-N 2 1 306.450 2.588 20 10 DFCDMP COc1ccc(O)c([C@H](C)[NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)c1 ZINC000369876547 428081925 /nfs/dbraw/zinc/08/19/25/428081925.db2.gz ATDXGUIIEBUSEL-ZZCKCESHSA-N 2 1 316.445 2.878 20 10 DFCDMP Oc1ccc(Cl)cc1C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000371402923 428388975 /nfs/dbraw/zinc/38/89/75/428388975.db2.gz FPYIURFMEWVYFC-BMFZPTHFSA-N 2 1 306.837 2.962 20 10 DFCDMP Oc1ccc(Cl)cc1C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000371402923 428388977 /nfs/dbraw/zinc/38/89/77/428388977.db2.gz FPYIURFMEWVYFC-BMFZPTHFSA-N 2 1 306.837 2.962 20 10 DFCDMP Oc1ccc(Cl)cc1C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000371402923 428388979 /nfs/dbraw/zinc/38/89/79/428388979.db2.gz FPYIURFMEWVYFC-BMFZPTHFSA-N 2 1 306.837 2.962 20 10 DFCDMP Oc1ccc(Cl)cc1C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000371402923 428388980 /nfs/dbraw/zinc/38/89/80/428388980.db2.gz FPYIURFMEWVYFC-BMFZPTHFSA-N 2 1 306.837 2.962 20 10 DFCDMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1cc(Cl)ccc1O ZINC000371471471 428393200 /nfs/dbraw/zinc/39/32/00/428393200.db2.gz UQKOMSYHSRIHRD-VYDXJSESSA-N 2 1 324.852 2.729 20 10 DFCDMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1cc(Cl)ccc1O ZINC000371471471 428393204 /nfs/dbraw/zinc/39/32/04/428393204.db2.gz UQKOMSYHSRIHRD-VYDXJSESSA-N 2 1 324.852 2.729 20 10 DFCDMP CC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc(C)cc1O ZINC000280193670 334114918 /nfs/dbraw/zinc/11/49/18/334114918.db2.gz SJUNNHAUBMDKNQ-WBVHZDCISA-N 2 1 306.450 2.588 20 10 DFCDMP CC[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(C)cc1O ZINC000366859334 335221656 /nfs/dbraw/zinc/22/16/56/335221656.db2.gz TZOOYGPUAWFXAS-UXLLHSPISA-N 2 1 304.434 2.605 20 10 DFCDMP CCCOc1ccc(C[NH2+]C[C@H]2CCn3cc[nH+]c3C2)c(O)c1 ZINC000376109988 337027279 /nfs/dbraw/zinc/02/72/79/337027279.db2.gz FTTYGCQCJWNUBZ-AWEZNQCLSA-N 2 1 315.417 2.730 20 10 DFCDMP COc1ccc(O)c([C@@H](C)[N@H+](C)C[C@H]2CCc3[nH+]ccn3C2)c1 ZINC000377687671 337058406 /nfs/dbraw/zinc/05/84/06/337058406.db2.gz ALVGWGXUTZDZCW-ZIAGYGMSSA-N 2 1 315.417 2.853 20 10 DFCDMP COc1ccc(O)c([C@@H](C)[N@@H+](C)C[C@H]2CCc3[nH+]ccn3C2)c1 ZINC000377687671 337058407 /nfs/dbraw/zinc/05/84/07/337058407.db2.gz ALVGWGXUTZDZCW-ZIAGYGMSSA-N 2 1 315.417 2.853 20 10 DFCDMP CC[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(N(C)C)cc1 ZINC000372064296 500737465 /nfs/dbraw/zinc/73/74/65/500737465.db2.gz BAEFRTKKOIQBHE-QRVBRYPASA-N 2 1 317.477 2.657 20 10 DFCDMP CC[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(N(C)C)cc1 ZINC000372064296 500737468 /nfs/dbraw/zinc/73/74/68/500737468.db2.gz BAEFRTKKOIQBHE-QRVBRYPASA-N 2 1 317.477 2.657 20 10 DFCDMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc(C(=O)OC)ccc2O)C1 ZINC000273414700 534957368 /nfs/dbraw/zinc/95/73/68/534957368.db2.gz QMDXCSXNXQPYFY-UONOGXRCSA-N 2 1 320.433 2.561 20 10 DFCDMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc(C(=O)OC)ccc2O)C1 ZINC000273414700 534957371 /nfs/dbraw/zinc/95/73/71/534957371.db2.gz QMDXCSXNXQPYFY-UONOGXRCSA-N 2 1 320.433 2.561 20 10 DFCDMP CN(C)c1ccc(C[NH2+]C2CC[NH+](C)CC2)c(C(F)(F)F)c1 ZINC000280075429 426502877 /nfs/dbraw/zinc/50/28/77/426502877.db2.gz XZEAUUNKJDUPHG-UHFFFAOYSA-N 2 1 315.383 2.955 20 10 DFCDMP CCCOc1ccc(C[N@@H+](C)[C@@H]2CCN(C)C[C@H]2C)c(O)c1 ZINC000290427432 426761589 /nfs/dbraw/zinc/76/15/89/426761589.db2.gz LESZTPBBHCRWLI-RHSMWYFYSA-N 2 1 306.450 2.953 20 10 DFCDMP CCCOc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)c(O)c1 ZINC000290427432 426761604 /nfs/dbraw/zinc/76/16/04/426761604.db2.gz LESZTPBBHCRWLI-RHSMWYFYSA-N 2 1 306.450 2.953 20 10 DFCDMP CCCOc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)c(O)c1 ZINC000290427432 426761609 /nfs/dbraw/zinc/76/16/09/426761609.db2.gz LESZTPBBHCRWLI-RHSMWYFYSA-N 2 1 306.450 2.953 20 10 DFCDMP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000293530466 427353526 /nfs/dbraw/zinc/35/35/26/427353526.db2.gz DWSWTXBJAKTUMB-GFCCVEGCSA-N 2 1 318.820 2.631 20 10 DFCDMP COc1cccc(C[NH+]2CCC([NH+]3CCCCC3)CC2)c1O ZINC000271051386 427388114 /nfs/dbraw/zinc/38/81/14/427388114.db2.gz WGSAXAZAOKGRJN-UHFFFAOYSA-N 2 1 304.434 2.851 20 10 DFCDMP CC[N@@H+](C)C[C@H]1CCN(Cc2cc(Cl)cc(OC)c2O)C1 ZINC000184700346 427521799 /nfs/dbraw/zinc/52/17/99/427521799.db2.gz HFHQYEVXDRNEGP-GFCCVEGCSA-N 2 1 312.841 2.828 20 10 DFCDMP CCOc1cccc(C[NH2+]C2CC([NH+]3CCCCC3)C2)c1O ZINC000370131213 428141862 /nfs/dbraw/zinc/14/18/62/428141862.db2.gz JMUCSBBBKMKMRE-UHFFFAOYSA-N 2 1 304.434 2.897 20 10 DFCDMP CCOCc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1OC ZINC000363441569 428915230 /nfs/dbraw/zinc/91/52/30/428915230.db2.gz HYGZBBQSCJPXNM-QZTJIDSGSA-N 2 1 318.461 2.948 20 10 DFCDMP CCOCc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1OC ZINC000363441569 428915237 /nfs/dbraw/zinc/91/52/37/428915237.db2.gz HYGZBBQSCJPXNM-QZTJIDSGSA-N 2 1 318.461 2.948 20 10 DFCDMP Cc1cc(C)c([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c(O)c1 ZINC000293796492 335117114 /nfs/dbraw/zinc/11/71/14/335117114.db2.gz QWSXTXWLIMPXCQ-IAGOWNOFSA-N 2 1 320.477 2.897 20 10 DFCDMP Cc1cc(Cl)cc(C[NH2+]C[C@@H]2CCn3cc[nH+]c3C2)c1O ZINC000366741227 334464216 /nfs/dbraw/zinc/46/42/16/334464216.db2.gz AZGCSMSTENVWKG-GFCCVEGCSA-N 2 1 305.809 2.903 20 10 DFCDMP COc1cc(Cl)cc(C[NH2+]C[C@H]2CCn3cc[nH+]c3C2)c1O ZINC000366746909 334475419 /nfs/dbraw/zinc/47/54/19/334475419.db2.gz SJDGSBCCJUXBFC-NSHDSACASA-N 2 1 321.808 2.603 20 10 DFCDMP CCCOc1ccc(C[NH2+]C[C@@H]2CCn3cc[nH+]c3C2)c(O)c1 ZINC000376109989 337027266 /nfs/dbraw/zinc/02/72/66/337027266.db2.gz FTTYGCQCJWNUBZ-CQSZACIVSA-N 2 1 315.417 2.730 20 10 DFCDMP COc1ccc(O)c([C@H](C)[N@H+](C)C[C@H]2CCc3[nH+]ccn3C2)c1 ZINC000377687670 337058334 /nfs/dbraw/zinc/05/83/34/337058334.db2.gz ALVGWGXUTZDZCW-UONOGXRCSA-N 2 1 315.417 2.853 20 10 DFCDMP COc1ccc(O)c([C@H](C)[N@@H+](C)C[C@H]2CCc3[nH+]ccn3C2)c1 ZINC000377687670 337058335 /nfs/dbraw/zinc/05/83/35/337058335.db2.gz ALVGWGXUTZDZCW-UONOGXRCSA-N 2 1 315.417 2.853 20 10 DFCDMP CCOc1cccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1O ZINC000245867544 521344699 /nfs/dbraw/zinc/34/46/99/521344699.db2.gz GJSIRCUQTQOTLF-GOEBONIOSA-N 2 1 304.434 2.707 20 10 DFCDMP CCOc1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1O ZINC000245867544 521344708 /nfs/dbraw/zinc/34/47/08/521344708.db2.gz GJSIRCUQTQOTLF-GOEBONIOSA-N 2 1 304.434 2.707 20 10 DFCDMP CCOc1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1O ZINC000245867544 521344715 /nfs/dbraw/zinc/34/47/15/521344715.db2.gz GJSIRCUQTQOTLF-GOEBONIOSA-N 2 1 304.434 2.707 20 10 DFCDMP CC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccccc1O ZINC000155774461 522826894 /nfs/dbraw/zinc/82/68/94/522826894.db2.gz AUHPDSFZZFWZCD-NVXWUHKLSA-N 2 1 306.450 2.670 20 10 DFCDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000264942641 527437860 /nfs/dbraw/zinc/43/78/60/527437860.db2.gz HBDPBHSUGZSLPW-ZDUSSCGKSA-N 2 1 304.413 2.823 20 10 DFCDMP CC[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccc(F)cc1O ZINC000285510033 535803745 /nfs/dbraw/zinc/80/37/45/535803745.db2.gz AOQTUEGRVSBBQK-QGZVFWFLSA-N 2 1 323.456 2.600 20 10 DFCDMP CC[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(F)cc1O ZINC000285510033 535803746 /nfs/dbraw/zinc/80/37/46/535803746.db2.gz AOQTUEGRVSBBQK-QGZVFWFLSA-N 2 1 323.456 2.600 20 10 DFCDMP CCCOc1ccc(C[N@H+]2CC[C@H]3CCN(C)C[C@@H]32)c(O)c1 ZINC000272696276 130054535 /nfs/dbraw/zinc/05/45/35/130054535.db2.gz XWIJDVRSRXBFTJ-PBHICJAKSA-N 2 1 304.434 2.707 20 10 DFCDMP CC(=O)c1cc(F)cc(CN(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1O ZINC000285439738 131168943 /nfs/dbraw/zinc/16/89/43/131168943.db2.gz IEZRHNIYEYKXKB-XYPWUTKMSA-N 2 1 320.408 2.791 20 10 DFCDMP Oc1cc2c(cc1C[N@@H+]1CCC[C@H]([NH+]3CCCC3)CC1)OCO2 ZINC000153466622 426387456 /nfs/dbraw/zinc/38/74/56/426387456.db2.gz OCODKVLNDMPQCQ-HNNXBMFYSA-N 2 1 318.417 2.571 20 10 DFCDMP Oc1cc2c(cc1C[N@H+]1CCC[C@H]([NH+]3CCCC3)CC1)OCO2 ZINC000153466622 426387459 /nfs/dbraw/zinc/38/74/59/426387459.db2.gz OCODKVLNDMPQCQ-HNNXBMFYSA-N 2 1 318.417 2.571 20 10 DFCDMP C[N@H+]1CCC[C@@H]1CC[NH+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000245573208 426752246 /nfs/dbraw/zinc/75/22/46/426752246.db2.gz ACOUFCDELIILHY-QZTJIDSGSA-N 2 1 318.461 2.858 20 10 DFCDMP C[NH+]1CCC[C@@H]1CC[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000245573208 426752251 /nfs/dbraw/zinc/75/22/51/426752251.db2.gz ACOUFCDELIILHY-QZTJIDSGSA-N 2 1 318.461 2.858 20 10 DFCDMP C[NH+]1CCC[C@@H]1CC[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000245573208 426752254 /nfs/dbraw/zinc/75/22/54/426752254.db2.gz ACOUFCDELIILHY-QZTJIDSGSA-N 2 1 318.461 2.858 20 10 DFCDMP Cc1cc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)ccc1N(C)C ZINC000293173257 427234189 /nfs/dbraw/zinc/23/41/89/427234189.db2.gz SDHSFLDQACOZRK-GOSISDBHSA-N 2 1 301.478 2.979 20 10 DFCDMP Cc1ccc(O)c([C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)c1 ZINC000278424843 427439558 /nfs/dbraw/zinc/43/95/58/427439558.db2.gz GJAQBIZQTKDJRB-HOTGVXAUSA-N 2 1 306.450 2.852 20 10 DFCDMP Cc1ccc(O)c([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)c1 ZINC000278424843 427439564 /nfs/dbraw/zinc/43/95/64/427439564.db2.gz GJAQBIZQTKDJRB-HOTGVXAUSA-N 2 1 306.450 2.852 20 10 DFCDMP COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)c1 ZINC000279004369 427525826 /nfs/dbraw/zinc/52/58/26/427525826.db2.gz RYPIXGRFMZCPBL-OLZOCXBDSA-N 2 1 301.390 2.511 20 10 DFCDMP C[C@@H]([NH2+]C[C@H]1CCCN1C)c1ccc(Br)cc1[O-] ZINC000185142562 427602305 /nfs/dbraw/zinc/60/23/05/427602305.db2.gz IQCDRSXOZPBZSL-ZYHUDNBSSA-N 2 1 313.239 2.900 20 10 DFCDMP CC[C@@H](c1ccccc1O)[N@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000368795013 280219075 /nfs/dbraw/zinc/21/90/75/280219075.db2.gz DHCCBGLNVYDVPH-WMZOPIPTSA-N 2 1 317.477 2.555 20 10 DFCDMP Cc1cc(C)c([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)c(O)c1 ZINC000293796496 335117548 /nfs/dbraw/zinc/11/75/48/335117548.db2.gz QWSXTXWLIMPXCQ-SJORKVTESA-N 2 1 320.477 2.897 20 10 DFCDMP CC[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(C)cc1O ZINC000366859335 335221603 /nfs/dbraw/zinc/22/16/03/335221603.db2.gz TZOOYGPUAWFXAS-VYDXJSESSA-N 2 1 304.434 2.605 20 10 DFCDMP COCC[NH+]1CCC([NH2+]Cc2c(C)c3ccccc3n2C)CC1 ZINC000355129312 336495778 /nfs/dbraw/zinc/49/57/78/336495778.db2.gz WSUNMCHWROURBP-UHFFFAOYSA-N 2 1 315.461 2.687 20 10 DFCDMP COc1ccc(O)c(C[NH+]2CCC([NH2+]C3CCCC3)CC2)c1 ZINC000378438065 337072600 /nfs/dbraw/zinc/07/26/00/337072600.db2.gz IBHBCHBZIGIXBB-UHFFFAOYSA-N 2 1 304.434 2.897 20 10 DFCDMP CN(C)c1ccc(C[N@H+]2CCC[C@@H](Cc3nccn3C)C2)cc1 ZINC000182088050 337184230 /nfs/dbraw/zinc/18/42/30/337184230.db2.gz FMBYKYZVZUTLGN-KRWDZBQOSA-N 2 1 312.461 2.941 20 10 DFCDMP CN(C)c1ccc(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)cc1 ZINC000121752672 337396531 /nfs/dbraw/zinc/39/65/31/337396531.db2.gz XCHBHHKXRRYQMO-UHFFFAOYSA-N 2 1 312.461 2.941 20 10 DFCDMP C[N@H+](Cc1cc(Br)ccc1O)C[C@H]1CC[NH+](C)C1 ZINC000156019193 523164355 /nfs/dbraw/zinc/16/43/55/523164355.db2.gz NXIRNJICHMLFHY-NSHDSACASA-N 2 1 313.239 2.538 20 10 DFCDMP C[NH+](Cc1cc(Br)ccc1O)C[C@H]1CC[N@H+](C)C1 ZINC000156019193 523164359 /nfs/dbraw/zinc/16/43/59/523164359.db2.gz NXIRNJICHMLFHY-NSHDSACASA-N 2 1 313.239 2.538 20 10 DFCDMP C[NH+](Cc1cc(Br)ccc1O)C[C@H]1CC[N@@H+](C)C1 ZINC000156019193 523164365 /nfs/dbraw/zinc/16/43/65/523164365.db2.gz NXIRNJICHMLFHY-NSHDSACASA-N 2 1 313.239 2.538 20 10 DFCDMP COc1ccc(O)c(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000180363202 524740255 /nfs/dbraw/zinc/74/02/55/524740255.db2.gz LMRNGCGHOZUUJR-INIZCTEOSA-N 2 1 304.434 2.851 20 10 DFCDMP [O-]c1c(F)cccc1C[N@H+]1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000272373231 130024886 /nfs/dbraw/zinc/02/48/86/130024886.db2.gz GXOQCVVMBLJWAW-GUYCJALGSA-N 2 1 304.409 2.980 20 10 DFCDMP CN(C)c1ccc(C[NH2+]C2CC([NH+]3CCCCC3)C2)cc1F ZINC000369535708 130918618 /nfs/dbraw/zinc/91/86/18/130918618.db2.gz BXXNMCIFCMKQOE-UHFFFAOYSA-N 2 1 305.441 2.998 20 10 DFCDMP Cc1cc(C)c([C@@H](C)[NH2+]CCC[NH+]2CCC(O)CC2)c(O)c1 ZINC000284103069 131049396 /nfs/dbraw/zinc/04/93/96/131049396.db2.gz MWFYIXSGNJGLTB-OAHLLOKOSA-N 2 1 306.450 2.506 20 10 DFCDMP CC[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccc(F)cc1O ZINC000287695429 131295332 /nfs/dbraw/zinc/29/53/32/131295332.db2.gz WXQVUOUAZILYQG-INIZCTEOSA-N 2 1 323.456 2.598 20 10 DFCDMP CC[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(F)cc1O ZINC000287695429 131295334 /nfs/dbraw/zinc/29/53/34/131295334.db2.gz WXQVUOUAZILYQG-INIZCTEOSA-N 2 1 323.456 2.598 20 10 DFCDMP COc1ccc(O)c(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000245843501 426773817 /nfs/dbraw/zinc/77/38/17/426773817.db2.gz KNMSWPAPCBXUAW-KBXCAEBGSA-N 2 1 316.445 2.850 20 10 DFCDMP COc1ccc(O)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000245843501 426773821 /nfs/dbraw/zinc/77/38/21/426773821.db2.gz KNMSWPAPCBXUAW-KBXCAEBGSA-N 2 1 316.445 2.850 20 10 DFCDMP COc1ccc(O)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000245843501 426773825 /nfs/dbraw/zinc/77/38/25/426773825.db2.gz KNMSWPAPCBXUAW-KBXCAEBGSA-N 2 1 316.445 2.850 20 10 DFCDMP CCOc1ccc(O)c(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)c1 ZINC000290346632 426747701 /nfs/dbraw/zinc/74/77/01/426747701.db2.gz FUXNZAMEGXHEQL-RHSMWYFYSA-N 2 1 304.434 2.707 20 10 DFCDMP CCOc1ccc(O)c(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c1 ZINC000290346632 426747704 /nfs/dbraw/zinc/74/77/04/426747704.db2.gz FUXNZAMEGXHEQL-RHSMWYFYSA-N 2 1 304.434 2.707 20 10 DFCDMP CCOc1ccc(O)c(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c1 ZINC000290346632 426747708 /nfs/dbraw/zinc/74/77/08/426747708.db2.gz FUXNZAMEGXHEQL-RHSMWYFYSA-N 2 1 304.434 2.707 20 10 DFCDMP COc1cc(Cl)cc(C[N@@H+](C)[C@H]2CCN(C)C[C@@H]2C)c1O ZINC000290409285 426757686 /nfs/dbraw/zinc/75/76/86/426757686.db2.gz JXTMHPUWHKJIFC-FZMZJTMJSA-N 2 1 312.841 2.826 20 10 DFCDMP Cc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)c(O)c1 ZINC000278789105 427453099 /nfs/dbraw/zinc/45/30/99/427453099.db2.gz YQKIPCXGWDOZOP-JKSUJKDBSA-N 2 1 306.450 2.852 20 10 DFCDMP COc1ccc(O)c([C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)c1 ZINC000278795757 427454332 /nfs/dbraw/zinc/45/43/32/427454332.db2.gz YXRAEENEHYOIBB-HUUCEWRRSA-N 2 1 322.449 2.552 20 10 DFCDMP COc1ccc(O)c([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)c1 ZINC000278795757 427454339 /nfs/dbraw/zinc/45/43/39/427454339.db2.gz YXRAEENEHYOIBB-HUUCEWRRSA-N 2 1 322.449 2.552 20 10 DFCDMP Cc1[nH+]ccn1CCC[NH2+]Cc1cc(Br)ccc1O ZINC000263679059 427538497 /nfs/dbraw/zinc/53/84/97/427538497.db2.gz LSRAKGPOPAUXBU-UHFFFAOYSA-N 2 1 324.222 2.840 20 10 DFCDMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2ccc(C)cc2O)CC1 ZINC000185014703 427577033 /nfs/dbraw/zinc/57/70/33/427577033.db2.gz URQJSRIGDVJFIM-KRWDZBQOSA-N 2 1 319.493 2.769 20 10 DFCDMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2cc(F)ccc2O)CC1 ZINC000185014890 427577856 /nfs/dbraw/zinc/57/78/56/427577856.db2.gz VNZSEUUQGFTQFY-HNNXBMFYSA-N 2 1 323.456 2.600 20 10 DFCDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1cc(Cl)ccc1O ZINC000371471470 428392212 /nfs/dbraw/zinc/39/22/12/428392212.db2.gz UQKOMSYHSRIHRD-INMHGKMJSA-N 2 1 324.852 2.729 20 10 DFCDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1cc(Cl)ccc1O ZINC000371471470 428392221 /nfs/dbraw/zinc/39/22/21/428392221.db2.gz UQKOMSYHSRIHRD-INMHGKMJSA-N 2 1 324.852 2.729 20 10 DFCDMP COc1ccc(O)c([C@H](C)[N@H+]2CCC[C@H](n3ccnc3)C2)c1 ZINC000364624810 429237339 /nfs/dbraw/zinc/23/73/39/429237339.db2.gz UZPRZKDAWPMQMK-KBPBESRZSA-N 2 1 301.390 2.995 20 10 DFCDMP Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c(O)c1C ZINC000368325007 429831657 /nfs/dbraw/zinc/83/16/57/429831657.db2.gz WPVCWTXXWAVNEF-HRCADAONSA-N 2 1 304.434 2.523 20 10 DFCDMP Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)c(O)c1C ZINC000368325007 429831661 /nfs/dbraw/zinc/83/16/61/429831661.db2.gz WPVCWTXXWAVNEF-HRCADAONSA-N 2 1 304.434 2.523 20 10 DFCDMP Cc1cccc(C[N@H+](C)C2CC[NH+](C3CCOCC3)CC2)c1O ZINC000378440039 337072778 /nfs/dbraw/zinc/07/27/78/337072778.db2.gz YIBMCCRVTHPJFQ-UHFFFAOYSA-N 2 1 318.461 2.776 20 10 DFCDMP C[N@H+](Cc1cc(Br)ccc1O)C[C@@H]1CC[NH+](C)C1 ZINC000156019304 523163985 /nfs/dbraw/zinc/16/39/85/523163985.db2.gz NXIRNJICHMLFHY-LLVKDONJSA-N 2 1 313.239 2.538 20 10 DFCDMP C[NH+](Cc1cc(Br)ccc1O)C[C@@H]1CC[N@H+](C)C1 ZINC000156019304 523164001 /nfs/dbraw/zinc/16/40/01/523164001.db2.gz NXIRNJICHMLFHY-LLVKDONJSA-N 2 1 313.239 2.538 20 10 DFCDMP C[NH+](Cc1cc(Br)ccc1O)C[C@@H]1CC[N@@H+](C)C1 ZINC000156019304 523164012 /nfs/dbraw/zinc/16/40/12/523164012.db2.gz NXIRNJICHMLFHY-LLVKDONJSA-N 2 1 313.239 2.538 20 10 DFCDMP CC[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1ccc(F)cc1O ZINC000286260960 535807985 /nfs/dbraw/zinc/80/79/85/535807985.db2.gz VCVXAVNQBYGVMI-WMLDXEAASA-N 2 1 323.456 2.598 20 10 DFCDMP CCOc1cccc(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)c1O ZINC000093536930 398640589 /nfs/dbraw/zinc/64/05/89/398640589.db2.gz KJHAWXLFGOXAAR-BRWVUGGUSA-N 2 1 316.445 2.707 20 10 DFCDMP CCOc1cccc(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)c1O ZINC000093536930 398640592 /nfs/dbraw/zinc/64/05/92/398640592.db2.gz KJHAWXLFGOXAAR-BRWVUGGUSA-N 2 1 316.445 2.707 20 10 DFCDMP CCOc1cccc(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)c1O ZINC000093536930 398640595 /nfs/dbraw/zinc/64/05/95/398640595.db2.gz KJHAWXLFGOXAAR-BRWVUGGUSA-N 2 1 316.445 2.707 20 10 DFCDMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(OCC)ccc2O)C1 ZINC000093742413 426358693 /nfs/dbraw/zinc/35/86/93/426358693.db2.gz VQXLGGNOPMXRFQ-HNNXBMFYSA-N 2 1 306.450 2.955 20 10 DFCDMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(OCC)ccc2O)C1 ZINC000093742413 426358696 /nfs/dbraw/zinc/35/86/96/426358696.db2.gz VQXLGGNOPMXRFQ-HNNXBMFYSA-N 2 1 306.450 2.955 20 10 DFCDMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(OCC)ccc2O)C1 ZINC000093742413 426358701 /nfs/dbraw/zinc/35/87/01/426358701.db2.gz VQXLGGNOPMXRFQ-HNNXBMFYSA-N 2 1 306.450 2.955 20 10 DFCDMP CN(C)c1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1F ZINC000289817678 426675327 /nfs/dbraw/zinc/67/53/27/426675327.db2.gz TVDZHVINYRNFQC-XYPWUTKMSA-N 2 1 305.441 2.949 20 10 DFCDMP CN(C)c1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1F ZINC000289817678 426675329 /nfs/dbraw/zinc/67/53/29/426675329.db2.gz TVDZHVINYRNFQC-XYPWUTKMSA-N 2 1 305.441 2.949 20 10 DFCDMP CN(C)c1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1F ZINC000289817678 426675333 /nfs/dbraw/zinc/67/53/33/426675333.db2.gz TVDZHVINYRNFQC-XYPWUTKMSA-N 2 1 305.441 2.949 20 10 DFCDMP CN(C)c1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1F ZINC000289817678 426675338 /nfs/dbraw/zinc/67/53/38/426675338.db2.gz TVDZHVINYRNFQC-XYPWUTKMSA-N 2 1 305.441 2.949 20 10 DFCDMP CCOc1cccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)c1O ZINC000290630708 426809711 /nfs/dbraw/zinc/80/97/11/426809711.db2.gz XXFCGZQBXPJTED-HOCLYGCPSA-N 2 1 304.434 2.707 20 10 DFCDMP CCOc1cccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c1O ZINC000290630708 426809713 /nfs/dbraw/zinc/80/97/13/426809713.db2.gz XXFCGZQBXPJTED-HOCLYGCPSA-N 2 1 304.434 2.707 20 10 DFCDMP CCOc1cccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c1O ZINC000290630708 426809719 /nfs/dbraw/zinc/80/97/19/426809719.db2.gz XXFCGZQBXPJTED-HOCLYGCPSA-N 2 1 304.434 2.707 20 10 DFCDMP COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)c1 ZINC000179670943 426811493 /nfs/dbraw/zinc/81/14/93/426811493.db2.gz WWTSMISAFOFKQC-CHWSQXEVSA-N 2 1 303.406 2.893 20 10 DFCDMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000293859546 427465713 /nfs/dbraw/zinc/46/57/13/427465713.db2.gz IFLIOMKNDVWNGD-IINYFYTJSA-N 2 1 300.805 2.957 20 10 DFCDMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000293859546 427465721 /nfs/dbraw/zinc/46/57/21/427465721.db2.gz IFLIOMKNDVWNGD-IINYFYTJSA-N 2 1 300.805 2.957 20 10 DFCDMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000293859546 427465723 /nfs/dbraw/zinc/46/57/23/427465723.db2.gz IFLIOMKNDVWNGD-IINYFYTJSA-N 2 1 300.805 2.957 20 10 DFCDMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000278409699 427434351 /nfs/dbraw/zinc/43/43/51/427434351.db2.gz FEKIJWCOSKYNHB-IAGOWNOFSA-N 2 1 319.493 2.904 20 10 DFCDMP CC[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(C)cc1O ZINC000280007370 427726181 /nfs/dbraw/zinc/72/61/81/427726181.db2.gz GLPQWZOSDXIADW-KRWDZBQOSA-N 2 1 306.450 2.588 20 10 DFCDMP COc1cc(Cl)cc(CN2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1O ZINC000293675167 335114634 /nfs/dbraw/zinc/11/46/34/335114634.db2.gz PDUNNPJMHIYXIR-KRWDZBQOSA-N 2 1 324.852 2.972 20 10 DFCDMP COc1cc(Cl)cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1O ZINC000184703170 333364959 /nfs/dbraw/zinc/36/49/59/333364959.db2.gz RIARCGSRYMQMQH-DOMZBBRYSA-N 2 1 324.852 2.970 20 10 DFCDMP COc1cc(Cl)cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1O ZINC000184703170 333364961 /nfs/dbraw/zinc/36/49/61/333364961.db2.gz RIARCGSRYMQMQH-DOMZBBRYSA-N 2 1 324.852 2.970 20 10 DFCDMP COc1cc(Cl)cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1O ZINC000184703170 333364963 /nfs/dbraw/zinc/36/49/63/333364963.db2.gz RIARCGSRYMQMQH-DOMZBBRYSA-N 2 1 324.852 2.970 20 10 DFCDMP COc1cc(Cl)cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1O ZINC000184703170 333364964 /nfs/dbraw/zinc/36/49/64/333364964.db2.gz RIARCGSRYMQMQH-DOMZBBRYSA-N 2 1 324.852 2.970 20 10 DFCDMP CC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc(C)cc1O ZINC000280193664 334114959 /nfs/dbraw/zinc/11/49/59/334114959.db2.gz SJUNNHAUBMDKNQ-DOTOQJQBSA-N 2 1 306.450 2.588 20 10 DFCDMP CCOc1cccc(C[N@H+](C)C[C@H]2CCn3cc[nH+]c3C2)c1O ZINC000377857733 337062747 /nfs/dbraw/zinc/06/27/47/337062747.db2.gz UIEUPMQXODDEDP-AWEZNQCLSA-N 2 1 315.417 2.682 20 10 DFCDMP CCOc1cccc(C[N@@H+](C)C[C@H]2CCn3cc[nH+]c3C2)c1O ZINC000377857733 337062748 /nfs/dbraw/zinc/06/27/48/337062748.db2.gz UIEUPMQXODDEDP-AWEZNQCLSA-N 2 1 315.417 2.682 20 10 DFCDMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc(C(=O)OC)ccc2O)C1 ZINC000273414692 534945637 /nfs/dbraw/zinc/94/56/37/534945637.db2.gz QMDXCSXNXQPYFY-KBPBESRZSA-N 2 1 320.433 2.561 20 10 DFCDMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc(C(=O)OC)ccc2O)C1 ZINC000273414692 534945641 /nfs/dbraw/zinc/94/56/41/534945641.db2.gz QMDXCSXNXQPYFY-KBPBESRZSA-N 2 1 320.433 2.561 20 10 DFCDMP CCCOc1ccc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c(O)c1 ZINC000092253792 193181401 /nfs/dbraw/zinc/18/14/01/193181401.db2.gz UJZRXEDSLVQWOB-HNNXBMFYSA-N 2 1 306.450 2.955 20 10 DFCDMP CCCOc1ccc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)c(O)c1 ZINC000092253792 193181402 /nfs/dbraw/zinc/18/14/02/193181402.db2.gz UJZRXEDSLVQWOB-HNNXBMFYSA-N 2 1 306.450 2.955 20 10 DFCDMP CCCOc1ccc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c(O)c1 ZINC000092253792 193181405 /nfs/dbraw/zinc/18/14/05/193181405.db2.gz UJZRXEDSLVQWOB-HNNXBMFYSA-N 2 1 306.450 2.955 20 10 DFCDMP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@H](C)C[NH+]2CCCC2)c1 ZINC000273391979 130115817 /nfs/dbraw/zinc/11/58/17/130115817.db2.gz LAJQLBRXPJCBLC-UONOGXRCSA-N 2 1 320.433 2.561 20 10 DFCDMP CCOc1cccc(C[N@H+]2CC[C@@H](C[NH+](CC)CC)C2)c1O ZINC000093693211 426357834 /nfs/dbraw/zinc/35/78/34/426357834.db2.gz XBNCZWMXBUHKFR-HNNXBMFYSA-N 2 1 306.450 2.955 20 10 DFCDMP COc1cc(Cl)cc(CN2CC[C@H]3CC[N@@H+](C)C[C@H]32)c1O ZINC000273699563 426710569 /nfs/dbraw/zinc/71/05/69/426710569.db2.gz CZKHZHSHBMJERQ-BXUZGUMPSA-N 2 1 310.825 2.580 20 10 DFCDMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000293859551 427465198 /nfs/dbraw/zinc/46/51/98/427465198.db2.gz IFLIOMKNDVWNGD-QMTHXVAHSA-N 2 1 300.805 2.957 20 10 DFCDMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000293859551 427465204 /nfs/dbraw/zinc/46/52/04/427465204.db2.gz IFLIOMKNDVWNGD-QMTHXVAHSA-N 2 1 300.805 2.957 20 10 DFCDMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000293859551 427465211 /nfs/dbraw/zinc/46/52/11/427465211.db2.gz IFLIOMKNDVWNGD-QMTHXVAHSA-N 2 1 300.805 2.957 20 10 DFCDMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CCc3cccc(O)c32)C[C@H](C)O1 ZINC000297869521 427471224 /nfs/dbraw/zinc/47/12/24/427471224.db2.gz UNQYCRSJSOGMKH-HLLBOEOZSA-N 2 1 318.461 2.859 20 10 DFCDMP CC[NH+](CC)CCC[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000271159687 427423973 /nfs/dbraw/zinc/42/39/73/427423973.db2.gz PHNCLMNJEUMWRO-UHFFFAOYSA-N 2 1 319.493 2.687 20 10 DFCDMP CC[NH+](CC)CCC[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000271159687 427423979 /nfs/dbraw/zinc/42/39/79/427423979.db2.gz PHNCLMNJEUMWRO-UHFFFAOYSA-N 2 1 319.493 2.687 20 10 DFCDMP COc1cc(Cl)cc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)c1O ZINC000184706018 427524744 /nfs/dbraw/zinc/52/47/44/427524744.db2.gz APYXLQURWHIEDN-LLVKDONJSA-N 2 1 323.824 2.985 20 10 DFCDMP Cc1cc(O)c(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1C ZINC000372190060 428422925 /nfs/dbraw/zinc/42/29/25/428422925.db2.gz AUSXUBSNMHWQLA-ZHALLVOQSA-N 2 1 318.461 2.693 20 10 DFCDMP CCOCc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1OC ZINC000363441571 428916744 /nfs/dbraw/zinc/91/67/44/428916744.db2.gz HYGZBBQSCJPXNM-ZWKOTPCHSA-N 2 1 318.461 2.948 20 10 DFCDMP CCOCc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1OC ZINC000363441571 428916749 /nfs/dbraw/zinc/91/67/49/428916749.db2.gz HYGZBBQSCJPXNM-ZWKOTPCHSA-N 2 1 318.461 2.948 20 10 DFCDMP COc1cccc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c1O ZINC000366949484 429545862 /nfs/dbraw/zinc/54/58/62/429545862.db2.gz BOAXRQSPMXSASA-UHFFFAOYSA-N 2 1 304.434 2.709 20 10 DFCDMP COc1ccc(O)c([C@H](C)[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000368806446 429895999 /nfs/dbraw/zinc/89/59/99/429895999.db2.gz NVSXTJJBAIKRLO-GRDNDAEWSA-N 2 1 304.434 2.878 20 10 DFCDMP COc1ccc(O)c([C@H](C)[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000368806446 429896000 /nfs/dbraw/zinc/89/60/00/429896000.db2.gz NVSXTJJBAIKRLO-GRDNDAEWSA-N 2 1 304.434 2.878 20 10 DFCDMP COc1ccc(O)c([C@H](C)[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000368806446 429896003 /nfs/dbraw/zinc/89/60/03/429896003.db2.gz NVSXTJJBAIKRLO-GRDNDAEWSA-N 2 1 304.434 2.878 20 10 DFCDMP COc1ccc(O)c([C@H](C)[N@H+](C)C[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000377860820 337062949 /nfs/dbraw/zinc/06/29/49/337062949.db2.gz OFMQMGVADRXLEH-UONOGXRCSA-N 2 1 315.417 2.853 20 10 DFCDMP COc1ccc(O)c([C@H](C)[N@@H+](C)C[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000377860820 337062950 /nfs/dbraw/zinc/06/29/50/337062950.db2.gz OFMQMGVADRXLEH-UONOGXRCSA-N 2 1 315.417 2.853 20 10 DFCDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCC2CC[NH+](C)CC2)c1 ZINC000273552583 536793514 /nfs/dbraw/zinc/79/35/14/536793514.db2.gz GEVGZKSFLZUFDU-ZDUSSCGKSA-N 2 1 320.433 2.561 20 10 DFCDMP CCOc1cccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1O ZINC000093597463 193272087 /nfs/dbraw/zinc/27/20/87/193272087.db2.gz BKGZSNLGTWEYLH-OAHLLOKOSA-N 2 1 304.434 2.709 20 10 DFCDMP CC[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccc(F)cc1O ZINC000286363335 286907585 /nfs/dbraw/zinc/90/75/85/286907585.db2.gz ZHVYFEMOUHAGLH-QGZVFWFLSA-N 2 1 323.456 2.598 20 10 DFCDMP Cc1cc(O)c(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1C ZINC000121102927 426322207 /nfs/dbraw/zinc/32/22/07/426322207.db2.gz MMHDICCPSYUZGN-MRXNPFEDSA-N 2 1 320.477 2.534 20 10 DFCDMP CCN(C)c1ccc([C@@H](C)[NH2+]C2CC[NH+](CCOC)CC2)cc1 ZINC000154830995 426457728 /nfs/dbraw/zinc/45/77/28/426457728.db2.gz OYBWFSYXPWEOND-MRXNPFEDSA-N 2 1 319.493 2.904 20 10 DFCDMP COc1cc(Cl)cc(C[N@@H+](C)[C@H]2CCN(C)C[C@H]2C)c1O ZINC000290409290 426758939 /nfs/dbraw/zinc/75/89/39/426758939.db2.gz JXTMHPUWHKJIFC-RISCZKNCSA-N 2 1 312.841 2.826 20 10 DFCDMP Cc1ccc([C@@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)c(O)c1C ZINC000282165834 426843252 /nfs/dbraw/zinc/84/32/52/426843252.db2.gz DSNFDTQKGBXWHH-MRXNPFEDSA-N 2 1 319.493 2.686 20 10 DFCDMP CCOc1ccc(O)c(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000247267098 426920422 /nfs/dbraw/zinc/92/04/22/426920422.db2.gz XWXMMTIJIWGNKV-YOEHRIQHSA-N 2 1 304.434 2.707 20 10 DFCDMP CCOc1ccc(O)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000247267098 426920426 /nfs/dbraw/zinc/92/04/26/426920426.db2.gz XWXMMTIJIWGNKV-YOEHRIQHSA-N 2 1 304.434 2.707 20 10 DFCDMP CCOc1ccc(O)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000247267098 426920432 /nfs/dbraw/zinc/92/04/32/426920432.db2.gz XWXMMTIJIWGNKV-YOEHRIQHSA-N 2 1 304.434 2.707 20 10 DFCDMP Cc1ccc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c(O)c1 ZINC000185414866 427649171 /nfs/dbraw/zinc/64/91/71/427649171.db2.gz AZXDSIFNNRRIBU-HZPDHXFCSA-N 2 1 306.450 2.588 20 10 DFCDMP CCOc1cccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1O ZINC000293773614 335113546 /nfs/dbraw/zinc/11/35/46/335113546.db2.gz YSENTBLONRYSRD-SFHVURJKSA-N 2 1 304.434 2.709 20 10 DFCDMP CCOc1cccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)c1O ZINC000293773614 335113548 /nfs/dbraw/zinc/11/35/48/335113548.db2.gz YSENTBLONRYSRD-SFHVURJKSA-N 2 1 304.434 2.709 20 10 DFCDMP CCOc1cccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1O ZINC000293773614 335113550 /nfs/dbraw/zinc/11/35/50/335113550.db2.gz YSENTBLONRYSRD-SFHVURJKSA-N 2 1 304.434 2.709 20 10 DFCDMP Cc1cc(N2CCC[C@@H]([NH2+]Cc3ccccc3O)C2)nc(C)[nH+]1 ZINC000360097003 336701720 /nfs/dbraw/zinc/70/17/20/336701720.db2.gz WIQHINFSVAJWPM-MRXNPFEDSA-N 2 1 312.417 2.558 20 10 DFCDMP c1cn2c([nH+]1)CC[C@@H]([NH2+]Cc1ccc(N3CCCCC3)cc1)C2 ZINC000368846867 336853898 /nfs/dbraw/zinc/85/38/98/336853898.db2.gz UFABAIZWVJRBEA-QGZVFWFLSA-N 2 1 310.445 2.978 20 10 DFCDMP Cn1ccnc1C[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000184732036 337199284 /nfs/dbraw/zinc/19/92/84/337199284.db2.gz RTVKCWJNRJLZBP-ZDUSSCGKSA-N 2 1 303.381 2.720 20 10 DFCDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@H](C)C[NH+]2CCCC2)c1 ZINC000273391975 536793095 /nfs/dbraw/zinc/79/30/95/536793095.db2.gz LAJQLBRXPJCBLC-KBPBESRZSA-N 2 1 320.433 2.561 20 10 DFCDMP [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000093017495 426352919 /nfs/dbraw/zinc/35/29/19/426352919.db2.gz BZVAXUDQUIWALC-CQSZACIVSA-N 2 1 324.852 2.590 20 10 DFCDMP [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000093017495 426352923 /nfs/dbraw/zinc/35/29/23/426352923.db2.gz BZVAXUDQUIWALC-CQSZACIVSA-N 2 1 324.852 2.590 20 10 DFCDMP COc1cccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1O ZINC000093683716 426358759 /nfs/dbraw/zinc/35/87/59/426358759.db2.gz NPDHDRVAFZGUFU-OAHLLOKOSA-N 2 1 304.434 2.709 20 10 DFCDMP COc1ccc(O)c(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c1 ZINC000290295092 426734437 /nfs/dbraw/zinc/73/44/37/426734437.db2.gz ASQFVQVWTCSBEV-HNNXBMFYSA-N 2 1 304.434 2.565 20 10 DFCDMP CC[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(N(C)C)cc1 ZINC000268830087 427132911 /nfs/dbraw/zinc/13/29/11/427132911.db2.gz KDTJGSNWSXSADO-LJQANCHMSA-N 2 1 319.493 2.640 20 10 DFCDMP COc1ccc(O)c([C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)c1 ZINC000278795752 427454568 /nfs/dbraw/zinc/45/45/68/427454568.db2.gz YXRAEENEHYOIBB-CABCVRRESA-N 2 1 322.449 2.552 20 10 DFCDMP COc1ccc(O)c([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)c1 ZINC000278795752 427454574 /nfs/dbraw/zinc/45/45/74/427454574.db2.gz YXRAEENEHYOIBB-CABCVRRESA-N 2 1 322.449 2.552 20 10 DFCDMP Cc1ccc(O)c([C@@H](C)[NH2+]CC2CCN(CC[NH+](C)C)CC2)c1 ZINC000185352913 427639704 /nfs/dbraw/zinc/63/97/04/427639704.db2.gz VHWVJWJAFHRATO-MRXNPFEDSA-N 2 1 319.493 2.625 20 10 DFCDMP C[C@H]([NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C)c1ccccc1O ZINC000374673766 428728280 /nfs/dbraw/zinc/72/82/80/428728280.db2.gz AYJDIHOAJNJKJR-KYHPRHEASA-N 2 1 318.461 2.932 20 10 DFCDMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C)c1ccccc1O ZINC000374673766 428728283 /nfs/dbraw/zinc/72/82/83/428728283.db2.gz AYJDIHOAJNJKJR-KYHPRHEASA-N 2 1 318.461 2.932 20 10 DFCDMP CN(C)c1ccc(C[N@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)cc1F ZINC000364670270 429245776 /nfs/dbraw/zinc/24/57/76/429245776.db2.gz HHHVEOCETYHPBD-HNNXBMFYSA-N 2 1 316.424 2.783 20 10 DFCDMP CN(C)c1ccc(C[N@@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)cc1F ZINC000364670270 429245779 /nfs/dbraw/zinc/24/57/79/429245779.db2.gz HHHVEOCETYHPBD-HNNXBMFYSA-N 2 1 316.424 2.783 20 10 DFCDMP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CC2(C)CC[NH+](C)CC2)c1 ZINC000273471482 334047754 /nfs/dbraw/zinc/04/77/54/334047754.db2.gz SBLZCEHCPMJRIY-CYBMUJFWSA-N 2 1 320.433 2.561 20 10 DFCDMP CC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc(C)cc1O ZINC000280193668 334114980 /nfs/dbraw/zinc/11/49/80/334114980.db2.gz SJUNNHAUBMDKNQ-RDJZCZTQSA-N 2 1 306.450 2.588 20 10 DFCDMP COc1ccc(O)c([C@H](C)[N@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)c1 ZINC000377687668 337058340 /nfs/dbraw/zinc/05/83/40/337058340.db2.gz ALVGWGXUTZDZCW-KBPBESRZSA-N 2 1 315.417 2.853 20 10 DFCDMP COc1ccc(O)c([C@H](C)[N@@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)c1 ZINC000377687668 337058341 /nfs/dbraw/zinc/05/83/41/337058341.db2.gz ALVGWGXUTZDZCW-KBPBESRZSA-N 2 1 315.417 2.853 20 10 DFCDMP COc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000377689494 337058428 /nfs/dbraw/zinc/05/84/28/337058428.db2.gz BZMDNRXUMFEAPY-OLZOCXBDSA-N 2 1 301.390 2.511 20 10 DFCDMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2ccc(C)cc2O)CC1 ZINC000185014718 521680265 /nfs/dbraw/zinc/68/02/65/521680265.db2.gz URQJSRIGDVJFIM-QGZVFWFLSA-N 2 1 319.493 2.769 20 10 DFCDMP CC[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccccc1O ZINC000155675112 522824849 /nfs/dbraw/zinc/82/48/49/522824849.db2.gz ORGZDSZFIFZNRT-GOSISDBHSA-N 2 1 319.493 2.707 20 10 DFCDMP Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCCC2)c(O)c1C ZINC000273388096 130116153 /nfs/dbraw/zinc/11/61/53/130116153.db2.gz KDAZEFHSRQZPHI-HZPDHXFCSA-N 2 1 306.450 2.506 20 10 DFCDMP Cc1ccc([C@H](C)[NH2+]CCC[NH+]2CCC(O)CC2)c(O)c1C ZINC000273387079 130116352 /nfs/dbraw/zinc/11/63/52/130116352.db2.gz JTZSSCYTTWBGKO-HNNXBMFYSA-N 2 1 306.450 2.506 20 10 DFCDMP CC[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccc(F)cc1O ZINC000286363333 131232819 /nfs/dbraw/zinc/23/28/19/131232819.db2.gz ZHVYFEMOUHAGLH-KRWDZBQOSA-N 2 1 323.456 2.598 20 10 DFCDMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cccc(OCC)c2O)C1 ZINC000093742149 426357662 /nfs/dbraw/zinc/35/76/62/426357662.db2.gz MSQHKWYRWGFIJA-HNNXBMFYSA-N 2 1 306.450 2.955 20 10 DFCDMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc(OCC)c2O)C1 ZINC000093742149 426357664 /nfs/dbraw/zinc/35/76/64/426357664.db2.gz MSQHKWYRWGFIJA-HNNXBMFYSA-N 2 1 306.450 2.955 20 10 DFCDMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc(OCC)c2O)C1 ZINC000093742149 426357668 /nfs/dbraw/zinc/35/76/68/426357668.db2.gz MSQHKWYRWGFIJA-HNNXBMFYSA-N 2 1 306.450 2.955 20 10 DFCDMP CC[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(C)cc1O ZINC000280294019 426542293 /nfs/dbraw/zinc/54/22/93/426542293.db2.gz ZKQXIPIDGGAQOK-AEFFLSMTSA-N 2 1 320.477 2.978 20 10 DFCDMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3ccccc3O)CC2)C[C@H](C)O1 ZINC000179564170 426801221 /nfs/dbraw/zinc/80/12/21/426801221.db2.gz OLHIFVNYLGWVTA-IYBDPMFKSA-N 2 1 318.461 2.713 20 10 DFCDMP CCOc1cccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)c1O ZINC000290630706 426809571 /nfs/dbraw/zinc/80/95/71/426809571.db2.gz XXFCGZQBXPJTED-GOEBONIOSA-N 2 1 304.434 2.707 20 10 DFCDMP CCOc1cccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)c1O ZINC000290630706 426809573 /nfs/dbraw/zinc/80/95/73/426809573.db2.gz XXFCGZQBXPJTED-GOEBONIOSA-N 2 1 304.434 2.707 20 10 DFCDMP CCOc1cccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c1O ZINC000290630706 426809577 /nfs/dbraw/zinc/80/95/77/426809577.db2.gz XXFCGZQBXPJTED-GOEBONIOSA-N 2 1 304.434 2.707 20 10 DFCDMP Cc1ccc(O)c([C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)c1 ZINC000278424842 427439922 /nfs/dbraw/zinc/43/99/22/427439922.db2.gz GJAQBIZQTKDJRB-CVEARBPZSA-N 2 1 306.450 2.852 20 10 DFCDMP Cc1ccc(O)c([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)c1 ZINC000278424842 427439926 /nfs/dbraw/zinc/43/99/26/427439926.db2.gz GJAQBIZQTKDJRB-CVEARBPZSA-N 2 1 306.450 2.852 20 10 DFCDMP Cc1ccc([C@H](C)[NH2+]CC2CCN(CC[NH+](C)C)CC2)c(O)c1 ZINC000185353211 427638701 /nfs/dbraw/zinc/63/87/01/427638701.db2.gz GERONIJXCQQYHN-INIZCTEOSA-N 2 1 319.493 2.625 20 10 DFCDMP COc1cccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1O ZINC000093563999 278010185 /nfs/dbraw/zinc/01/01/85/278010185.db2.gz BYRNYEPJBVZJLY-MRXNPFEDSA-N 2 1 304.434 2.851 20 10 DFCDMP COc1ccc(O)c([C@H](C)[N@H+](C)C[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000377860818 337062924 /nfs/dbraw/zinc/06/29/24/337062924.db2.gz OFMQMGVADRXLEH-KBPBESRZSA-N 2 1 315.417 2.853 20 10 DFCDMP COc1ccc(O)c([C@H](C)[N@@H+](C)C[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000377860818 337062925 /nfs/dbraw/zinc/06/29/25/337062925.db2.gz OFMQMGVADRXLEH-KBPBESRZSA-N 2 1 315.417 2.853 20 10 DFCDMP COc1cc(Cl)cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1O ZINC000228671386 337078144 /nfs/dbraw/zinc/07/81/44/337078144.db2.gz QOBHZQKOWFIJGL-ZIAGYGMSSA-N 2 1 310.825 2.771 20 10 DFCDMP CC[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccccc1O ZINC000155674997 522576667 /nfs/dbraw/zinc/57/66/67/522576667.db2.gz ORGZDSZFIFZNRT-SFHVURJKSA-N 2 1 319.493 2.707 20 10 DFCDMP COc1cccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1O ZINC000093563998 193270329 /nfs/dbraw/zinc/27/03/29/193270329.db2.gz BYRNYEPJBVZJLY-INIZCTEOSA-N 2 1 304.434 2.851 20 10 DFCDMP Oc1c(F)cccc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000272241934 130011657 /nfs/dbraw/zinc/01/16/57/130011657.db2.gz GSTSOGWUKCQUTG-UHFFFAOYSA-N 2 1 322.424 2.608 20 10 DFCDMP Cc1ccc([C@@H](C)[NH2+]CCC[NH+]2CCC(O)CC2)c(O)c1C ZINC000273387083 130116419 /nfs/dbraw/zinc/11/64/19/130116419.db2.gz JTZSSCYTTWBGKO-OAHLLOKOSA-N 2 1 306.450 2.506 20 10 DFCDMP Cc1ccc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)c(O)c1C ZINC000273619829 130144833 /nfs/dbraw/zinc/14/48/33/130144833.db2.gz YQLQHIZPWNTZME-SJORKVTESA-N 2 1 320.477 2.897 20 10 DFCDMP CCN(C)c1ccc([C@@H](C)[NH2+]CCC[NH+]2CCC(O)CC2)cc1 ZINC000151358961 426291899 /nfs/dbraw/zinc/29/18/99/426291899.db2.gz YUNKPXJRGPRRAR-MRXNPFEDSA-N 2 1 319.493 2.640 20 10 DFCDMP CCN(C)c1ccc([C@H](C)[NH2+]C2CC[NH+](CCOC)CC2)cc1 ZINC000154831111 426457560 /nfs/dbraw/zinc/45/75/60/426457560.db2.gz OYBWFSYXPWEOND-INIZCTEOSA-N 2 1 319.493 2.904 20 10 DFCDMP CC[C@@H]([NH2+]C1CC[NH+](CCOC)CC1)c1ccc(N(C)C)cc1 ZINC000154851727 426457788 /nfs/dbraw/zinc/45/77/88/426457788.db2.gz BUBCWKMHACVDSJ-LJQANCHMSA-N 2 1 319.493 2.904 20 10 DFCDMP CC[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(C)cc1O ZINC000280034633 426503086 /nfs/dbraw/zinc/50/30/86/426503086.db2.gz IICOLGRNGNKPIX-SFHVURJKSA-N 2 1 319.493 2.769 20 10 DFCDMP COc1ccc(O)c([C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)c1 ZINC000278795760 427456063 /nfs/dbraw/zinc/45/60/63/427456063.db2.gz YXRAEENEHYOIBB-LSDHHAIUSA-N 2 1 322.449 2.552 20 10 DFCDMP COc1ccc(O)c([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)c1 ZINC000278795760 427456069 /nfs/dbraw/zinc/45/60/69/427456069.db2.gz YXRAEENEHYOIBB-LSDHHAIUSA-N 2 1 322.449 2.552 20 10 DFCDMP CC[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(N(C)C)cc1 ZINC000372064297 428413271 /nfs/dbraw/zinc/41/32/71/428413271.db2.gz BAEFRTKKOIQBHE-QYZOEREBSA-N 2 1 317.477 2.657 20 10 DFCDMP CC[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(N(C)C)cc1 ZINC000372064297 428413276 /nfs/dbraw/zinc/41/32/76/428413276.db2.gz BAEFRTKKOIQBHE-QYZOEREBSA-N 2 1 317.477 2.657 20 10 DFCDMP C[C@H]([NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C)c1ccccc1O ZINC000374673767 428728295 /nfs/dbraw/zinc/72/82/95/428728295.db2.gz AYJDIHOAJNJKJR-LISAXSMJSA-N 2 1 318.461 2.932 20 10 DFCDMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C)c1ccccc1O ZINC000374673767 428728302 /nfs/dbraw/zinc/72/83/02/428728302.db2.gz AYJDIHOAJNJKJR-LISAXSMJSA-N 2 1 318.461 2.932 20 10 DFCDMP CCOc1ccc(O)c(C[N@H+](C)C[C@H]2CCc3[nH+]ccn3C2)c1 ZINC000364673761 333326067 /nfs/dbraw/zinc/32/60/67/333326067.db2.gz PWOCHGTZUARQGL-CQSZACIVSA-N 2 1 315.417 2.682 20 10 DFCDMP CCOc1ccc(O)c(C[N@@H+](C)C[C@H]2CCc3[nH+]ccn3C2)c1 ZINC000364673761 333326068 /nfs/dbraw/zinc/32/60/68/333326068.db2.gz PWOCHGTZUARQGL-CQSZACIVSA-N 2 1 315.417 2.682 20 10 DFCDMP Cc1cccc(C[NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)c1O ZINC000377258764 337049724 /nfs/dbraw/zinc/04/97/24/337049724.db2.gz TWUBXOIBVMYIES-WMZOPIPTSA-N 2 1 311.429 2.878 20 10 DFCDMP Cc1cccc(C[NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)c1O ZINC000377258764 337049725 /nfs/dbraw/zinc/04/97/25/337049725.db2.gz TWUBXOIBVMYIES-WMZOPIPTSA-N 2 1 311.429 2.878 20 10 DFCDMP COc1cccc(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)c1O ZINC000121790787 337396507 /nfs/dbraw/zinc/39/65/07/337396507.db2.gz XWVCOTMXPYLNOL-UHFFFAOYSA-N 2 1 315.417 2.589 20 10 DFCDMP COc1cc(Cl)cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1O ZINC000248888053 341389500 /nfs/dbraw/zinc/38/95/00/341389500.db2.gz RIARCGSRYMQMQH-SWLSCSKDSA-N 2 1 324.852 2.970 20 10 DFCDMP COc1cc(Cl)cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1O ZINC000248888053 341389501 /nfs/dbraw/zinc/38/95/01/341389501.db2.gz RIARCGSRYMQMQH-SWLSCSKDSA-N 2 1 324.852 2.970 20 10 DFCDMP COc1cc(Cl)cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1O ZINC000248888053 341389502 /nfs/dbraw/zinc/38/95/02/341389502.db2.gz RIARCGSRYMQMQH-SWLSCSKDSA-N 2 1 324.852 2.970 20 10 DFCDMP COc1cc(Cl)cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1O ZINC000248888053 341389503 /nfs/dbraw/zinc/38/95/03/341389503.db2.gz RIARCGSRYMQMQH-SWLSCSKDSA-N 2 1 324.852 2.970 20 10 DFCDMP CCOc1cccc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)c1O ZINC000236935757 521365375 /nfs/dbraw/zinc/36/53/75/521365375.db2.gz YWWKLCBULFFPLY-CYBMUJFWSA-N 2 1 303.406 2.722 20 10 DFCDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(OC)c(OC)cc2O)[C@H](C)C1 ZINC000180415517 521719305 /nfs/dbraw/zinc/71/93/05/521719305.db2.gz KKDYNTZKCGQQNL-HIFRSBDPSA-N 2 1 322.449 2.572 20 10 DFCDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(OC)c(OC)cc2O)[C@H](C)C1 ZINC000180415517 521719306 /nfs/dbraw/zinc/71/93/06/521719306.db2.gz KKDYNTZKCGQQNL-HIFRSBDPSA-N 2 1 322.449 2.572 20 10 DFCDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(OC)c(OC)cc2O)[C@H](C)C1 ZINC000180415517 521719307 /nfs/dbraw/zinc/71/93/07/521719307.db2.gz KKDYNTZKCGQQNL-HIFRSBDPSA-N 2 1 322.449 2.572 20 10 DFCDMP C[N@H+]1CCC[C@H]1CC[NH+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000163103415 523848489 /nfs/dbraw/zinc/84/84/89/523848489.db2.gz ACOUFCDELIILHY-ROUUACIJSA-N 2 1 318.461 2.858 20 10 DFCDMP C[NH+]1CCC[C@H]1CC[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000163103415 523848491 /nfs/dbraw/zinc/84/84/91/523848491.db2.gz ACOUFCDELIILHY-ROUUACIJSA-N 2 1 318.461 2.858 20 10 DFCDMP C[NH+]1CCC[C@H]1CC[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000163103415 523848496 /nfs/dbraw/zinc/84/84/96/523848496.db2.gz ACOUFCDELIILHY-ROUUACIJSA-N 2 1 318.461 2.858 20 10 DFCDMP Cc1ccc([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCCCC2)c(O)c1C ZINC000273388094 130115732 /nfs/dbraw/zinc/11/57/32/130115732.db2.gz KDAZEFHSRQZPHI-HOTGVXAUSA-N 2 1 306.450 2.506 20 10 DFCDMP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCC2)c1 ZINC000273391981 130116172 /nfs/dbraw/zinc/11/61/72/130116172.db2.gz LAJQLBRXPJCBLC-ZIAGYGMSSA-N 2 1 320.433 2.561 20 10 DFCDMP CCCOc1ccc(C[N@@H+](C)[C@H]2CCN(C)C[C@@H]2C)c(O)c1 ZINC000290427435 426762005 /nfs/dbraw/zinc/76/20/05/426762005.db2.gz LESZTPBBHCRWLI-YOEHRIQHSA-N 2 1 306.450 2.953 20 10 DFCDMP CCCOc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)c(O)c1 ZINC000290427435 426762017 /nfs/dbraw/zinc/76/20/17/426762017.db2.gz LESZTPBBHCRWLI-YOEHRIQHSA-N 2 1 306.450 2.953 20 10 DFCDMP CCCOc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)c(O)c1 ZINC000290427435 426762022 /nfs/dbraw/zinc/76/20/22/426762022.db2.gz LESZTPBBHCRWLI-YOEHRIQHSA-N 2 1 306.450 2.953 20 10 DFCDMP CCCOc1ccc(C[N@@H+](C)[C@H]2CCN(C)C[C@H]2C)c(O)c1 ZINC000290427430 426762511 /nfs/dbraw/zinc/76/25/11/426762511.db2.gz LESZTPBBHCRWLI-PBHICJAKSA-N 2 1 306.450 2.953 20 10 DFCDMP CCCOc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)c(O)c1 ZINC000290427430 426762525 /nfs/dbraw/zinc/76/25/25/426762525.db2.gz LESZTPBBHCRWLI-PBHICJAKSA-N 2 1 306.450 2.953 20 10 DFCDMP CCCOc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)c(O)c1 ZINC000290427430 426762529 /nfs/dbraw/zinc/76/25/29/426762529.db2.gz LESZTPBBHCRWLI-PBHICJAKSA-N 2 1 306.450 2.953 20 10 DFCDMP CCOc1ccc(O)c(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000247267084 426919582 /nfs/dbraw/zinc/91/95/82/426919582.db2.gz XWXMMTIJIWGNKV-WMLDXEAASA-N 2 1 304.434 2.707 20 10 DFCDMP CCOc1ccc(O)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000247267084 426919591 /nfs/dbraw/zinc/91/95/91/426919591.db2.gz XWXMMTIJIWGNKV-WMLDXEAASA-N 2 1 304.434 2.707 20 10 DFCDMP CCOc1ccc(O)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000247267084 426919599 /nfs/dbraw/zinc/91/95/99/426919599.db2.gz XWXMMTIJIWGNKV-WMLDXEAASA-N 2 1 304.434 2.707 20 10 DFCDMP COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000377689493 337058583 /nfs/dbraw/zinc/05/85/83/337058583.db2.gz BZMDNRXUMFEAPY-CHWSQXEVSA-N 2 1 301.390 2.511 20 10 DFCDMP Cn1ccnc1C[C@H]1CCC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000184732055 337199183 /nfs/dbraw/zinc/19/91/83/337199183.db2.gz RTVKCWJNRJLZBP-CYBMUJFWSA-N 2 1 303.381 2.720 20 10 DFCDMP CN(C)c1ccc(C[N@H+](C)C[C@H]2CCc3[nH+]ccn3C2)cc1F ZINC000364670272 282288911 /nfs/dbraw/zinc/28/89/11/282288911.db2.gz HHHVEOCETYHPBD-OAHLLOKOSA-N 2 1 316.424 2.783 20 10 DFCDMP CN(C)c1ccc(C[N@@H+](C)C[C@H]2CCc3[nH+]ccn3C2)cc1F ZINC000364670272 282288915 /nfs/dbraw/zinc/28/89/15/282288915.db2.gz HHHVEOCETYHPBD-OAHLLOKOSA-N 2 1 316.424 2.783 20 10 DFCDMP Cc1ccc([C@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)c(O)c1C ZINC000273615481 130145108 /nfs/dbraw/zinc/14/51/08/130145108.db2.gz XCNDIUFDRHNMRM-KRWDZBQOSA-N 2 1 319.493 2.687 20 10 DFCDMP CCN(C)c1ccc([C@H](C)[NH2+]CCC[NH+]2CCC(O)CC2)cc1 ZINC000151358998 426291761 /nfs/dbraw/zinc/29/17/61/426291761.db2.gz YUNKPXJRGPRRAR-INIZCTEOSA-N 2 1 319.493 2.640 20 10 DFCDMP COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)c1 ZINC000279004371 427525665 /nfs/dbraw/zinc/52/56/65/427525665.db2.gz RYPIXGRFMZCPBL-QWHCGFSZSA-N 2 1 301.390 2.511 20 10 DFCDMP COc1ccc(O)c([C@@H](C)[N@H+]2CCC[C@@H](n3ccnc3)C2)c1 ZINC000364624850 429237238 /nfs/dbraw/zinc/23/72/38/429237238.db2.gz UZPRZKDAWPMQMK-ZIAGYGMSSA-N 2 1 301.390 2.995 20 10 DFCDMP Cc1ccc([C@H](C)[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c(O)c1C ZINC000368325009 429832116 /nfs/dbraw/zinc/83/21/16/429832116.db2.gz WPVCWTXXWAVNEF-XHSDSOJGSA-N 2 1 304.434 2.523 20 10 DFCDMP Cc1ccc([C@H](C)[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)c(O)c1C ZINC000368325009 429832119 /nfs/dbraw/zinc/83/21/19/429832119.db2.gz WPVCWTXXWAVNEF-XHSDSOJGSA-N 2 1 304.434 2.523 20 10 DFCDMP CC[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(F)cc1O ZINC000286027880 280186336 /nfs/dbraw/zinc/18/63/36/280186336.db2.gz KADZUBIOXFNTOX-NVXWUHKLSA-N 2 1 324.440 2.809 20 10 DFCDMP CC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(F)cc1O ZINC000286027880 280186340 /nfs/dbraw/zinc/18/63/40/280186340.db2.gz KADZUBIOXFNTOX-NVXWUHKLSA-N 2 1 324.440 2.809 20 10 DFCDMP CC[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ccc(F)cc1O ZINC000286027877 280186473 /nfs/dbraw/zinc/18/64/73/280186473.db2.gz KADZUBIOXFNTOX-DOTOQJQBSA-N 2 1 324.440 2.809 20 10 DFCDMP CC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc(F)cc1O ZINC000286027877 280186475 /nfs/dbraw/zinc/18/64/75/280186475.db2.gz KADZUBIOXFNTOX-DOTOQJQBSA-N 2 1 324.440 2.809 20 10 DFCDMP COc1cc(Cl)cc(CN2CC[C@]3(C2)CCC[N@@H+](C)C3)c1O ZINC000293675169 335114886 /nfs/dbraw/zinc/11/48/86/335114886.db2.gz PDUNNPJMHIYXIR-QGZVFWFLSA-N 2 1 324.852 2.972 20 10 DFCDMP CC[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(C)cc1O ZINC000366859333 335221637 /nfs/dbraw/zinc/22/16/37/335221637.db2.gz TZOOYGPUAWFXAS-INMHGKMJSA-N 2 1 304.434 2.605 20 10 DFCDMP CC[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(C)cc1O ZINC000366859336 335221668 /nfs/dbraw/zinc/22/16/68/335221668.db2.gz TZOOYGPUAWFXAS-ZOBUZTSGSA-N 2 1 304.434 2.605 20 10 DFCDMP COc1ccc(O)c(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)c1 ZINC000180116171 337171526 /nfs/dbraw/zinc/17/15/26/337171526.db2.gz YTJYCUSJJVGMBF-UHFFFAOYSA-N 2 1 315.417 2.589 20 10 DFCDMP COc1ccc(O)c(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000180470720 524748146 /nfs/dbraw/zinc/74/81/46/524748146.db2.gz LGEAOIDKIOTVPN-OAHLLOKOSA-N 2 1 304.434 2.709 20 10 DFCDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000273613281 292014381 /nfs/dbraw/zinc/01/43/81/292014381.db2.gz WRASXZGMLBQQIV-QEJZJMRPSA-N 2 1 320.433 2.702 20 10 DFCDMP COc1cc(Cl)cc(C[NH2+]CCC[N@@H+](C)C(C)C)c1O ZINC000230934023 542893228 /nfs/dbraw/zinc/89/32/28/542893228.db2.gz WKGSHIPCYNLOID-UHFFFAOYSA-N 2 1 300.830 2.874 20 10 DFCDMP C[N@H+]1CCC[C@H]1CC[NH+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000245573212 426753441 /nfs/dbraw/zinc/75/34/41/426753441.db2.gz ACOUFCDELIILHY-ZWKOTPCHSA-N 2 1 318.461 2.858 20 10 DFCDMP C[NH+]1CCC[C@H]1CC[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000245573212 426753446 /nfs/dbraw/zinc/75/34/46/426753446.db2.gz ACOUFCDELIILHY-ZWKOTPCHSA-N 2 1 318.461 2.858 20 10 DFCDMP C[NH+]1CCC[C@H]1CC[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000245573212 426753449 /nfs/dbraw/zinc/75/34/49/426753449.db2.gz ACOUFCDELIILHY-ZWKOTPCHSA-N 2 1 318.461 2.858 20 10 DFCDMP CC[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(C)cc1O ZINC000282325598 426881200 /nfs/dbraw/zinc/88/12/00/426881200.db2.gz NUNJLVXQOSUONG-QGZVFWFLSA-N 2 1 319.493 2.767 20 10 DFCDMP CCOc1ccc(O)c(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1 ZINC000293524505 427350318 /nfs/dbraw/zinc/35/03/18/427350318.db2.gz BHSQAFSEONSOTN-SFHVURJKSA-N 2 1 304.434 2.709 20 10 DFCDMP CCOc1ccc(O)c(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)c1 ZINC000293524505 427350321 /nfs/dbraw/zinc/35/03/21/427350321.db2.gz BHSQAFSEONSOTN-SFHVURJKSA-N 2 1 304.434 2.709 20 10 DFCDMP CCOc1ccc(O)c(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000293524505 427350328 /nfs/dbraw/zinc/35/03/28/427350328.db2.gz BHSQAFSEONSOTN-SFHVURJKSA-N 2 1 304.434 2.709 20 10 DFCDMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000278409700 427434474 /nfs/dbraw/zinc/43/44/74/427434474.db2.gz FEKIJWCOSKYNHB-IRXDYDNUSA-N 2 1 319.493 2.904 20 10 DFCDMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2cc(C)ccc2O)CC1 ZINC000185014429 427578499 /nfs/dbraw/zinc/57/84/99/427578499.db2.gz ASVZZQLVCROCQW-KRWDZBQOSA-N 2 1 319.493 2.769 20 10 DFCDMP CCOc1ccc(O)c(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)c1 ZINC000367472256 429657869 /nfs/dbraw/zinc/65/78/69/429657869.db2.gz HGMGASMYAGXTNL-NXHRZFHOSA-N 2 1 316.445 2.707 20 10 DFCDMP CCOc1ccc(O)c(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)c1 ZINC000367472256 429657874 /nfs/dbraw/zinc/65/78/74/429657874.db2.gz HGMGASMYAGXTNL-NXHRZFHOSA-N 2 1 316.445 2.707 20 10 DFCDMP COc1ccc(O)c([C@@H](C)[N@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)c1 ZINC000377687669 337058374 /nfs/dbraw/zinc/05/83/74/337058374.db2.gz ALVGWGXUTZDZCW-KGLIPLIRSA-N 2 1 315.417 2.853 20 10 DFCDMP COc1ccc(O)c([C@@H](C)[N@@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)c1 ZINC000377687669 337058375 /nfs/dbraw/zinc/05/83/75/337058375.db2.gz ALVGWGXUTZDZCW-KGLIPLIRSA-N 2 1 315.417 2.853 20 10 DFCDMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cc(Br)ccc2O)C1 ZINC000227438173 337205180 /nfs/dbraw/zinc/20/51/80/337205180.db2.gz CKZVFPFHLBDKRM-LLVKDONJSA-N 2 1 313.239 2.586 20 10 DFCDMP COc1cc(O)c(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)cc1OC ZINC000180439378 522770873 /nfs/dbraw/zinc/77/08/73/522770873.db2.gz VLPYYQQLJNZTCT-OAHLLOKOSA-N 2 1 322.449 2.716 20 10 DFCDMP COc1cc(O)c(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)cc1OC ZINC000180439378 522770879 /nfs/dbraw/zinc/77/08/79/522770879.db2.gz VLPYYQQLJNZTCT-OAHLLOKOSA-N 2 1 322.449 2.716 20 10 DFCDMP COc1cc(O)c(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)cc1OC ZINC000180439378 522770884 /nfs/dbraw/zinc/77/08/84/522770884.db2.gz VLPYYQQLJNZTCT-OAHLLOKOSA-N 2 1 322.449 2.716 20 10 DFCDMP COc1cc(O)c(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)cc1OC ZINC000180439378 522770890 /nfs/dbraw/zinc/77/08/90/522770890.db2.gz VLPYYQQLJNZTCT-OAHLLOKOSA-N 2 1 322.449 2.716 20 10 DFCDMP COc1ccc(O)c(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000180765851 524746463 /nfs/dbraw/zinc/74/64/63/524746463.db2.gz KNMSWPAPCBXUAW-RDTXWAMCSA-N 2 1 316.445 2.850 20 10 DFCDMP COc1ccc(O)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000180765851 524746472 /nfs/dbraw/zinc/74/64/72/524746472.db2.gz KNMSWPAPCBXUAW-RDTXWAMCSA-N 2 1 316.445 2.850 20 10 DFCDMP COc1ccc(O)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000180765851 524746477 /nfs/dbraw/zinc/74/64/77/524746477.db2.gz KNMSWPAPCBXUAW-RDTXWAMCSA-N 2 1 316.445 2.850 20 10 DFCDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCC2)c1 ZINC000273391977 536792719 /nfs/dbraw/zinc/79/27/19/536792719.db2.gz LAJQLBRXPJCBLC-KGLIPLIRSA-N 2 1 320.433 2.561 20 10 DFCDMP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCC2CC[NH+](C)CC2)c1 ZINC000273552578 130135580 /nfs/dbraw/zinc/13/55/80/130135580.db2.gz GEVGZKSFLZUFDU-CYBMUJFWSA-N 2 1 320.433 2.561 20 10 DFCDMP Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCCC2)c(O)c1 ZINC000284281290 131065811 /nfs/dbraw/zinc/06/58/11/131065811.db2.gz XJOSBSJOLLNWSW-JKSUJKDBSA-N 2 1 306.450 2.506 20 10 DFCDMP Cc1cc(C)c([C@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)c(O)c1 ZINC000285020735 131131820 /nfs/dbraw/zinc/13/18/20/131131820.db2.gz HKFAQIRAGQQODZ-INIZCTEOSA-N 2 1 319.493 2.686 20 10 DFCDMP CCOc1cccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c1O ZINC000289260270 131369818 /nfs/dbraw/zinc/36/98/18/131369818.db2.gz FQSLSSXCYNIGPT-XYPWUTKMSA-N 2 1 304.434 2.848 20 10 DFCDMP CCOc1cccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1O ZINC000289260270 131369820 /nfs/dbraw/zinc/36/98/20/131369820.db2.gz FQSLSSXCYNIGPT-XYPWUTKMSA-N 2 1 304.434 2.848 20 10 DFCDMP CCOc1cccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1O ZINC000289260270 131369822 /nfs/dbraw/zinc/36/98/22/131369822.db2.gz FQSLSSXCYNIGPT-XYPWUTKMSA-N 2 1 304.434 2.848 20 10 DFCDMP [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000093017496 426353078 /nfs/dbraw/zinc/35/30/78/426353078.db2.gz BZVAXUDQUIWALC-AWEZNQCLSA-N 2 1 324.852 2.590 20 10 DFCDMP [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000093017496 426353082 /nfs/dbraw/zinc/35/30/82/426353082.db2.gz BZVAXUDQUIWALC-AWEZNQCLSA-N 2 1 324.852 2.590 20 10 DFCDMP COc1cc(Cl)cc(CN2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)c1O ZINC000273699568 426710472 /nfs/dbraw/zinc/71/04/72/426710472.db2.gz CZKHZHSHBMJERQ-FZMZJTMJSA-N 2 1 310.825 2.580 20 10 DFCDMP CCOc1cccc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c1O ZINC000290387350 426754062 /nfs/dbraw/zinc/75/40/62/426754062.db2.gz INSVPTCIFQEIHV-INIZCTEOSA-N 2 1 318.461 2.955 20 10 DFCDMP COc1cccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1O ZINC000246109818 426799575 /nfs/dbraw/zinc/79/95/75/426799575.db2.gz JSLHWKHADNVRMY-YOEHRIQHSA-N 2 1 316.445 2.850 20 10 DFCDMP COc1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1O ZINC000246109818 426799579 /nfs/dbraw/zinc/79/95/79/426799579.db2.gz JSLHWKHADNVRMY-YOEHRIQHSA-N 2 1 316.445 2.850 20 10 DFCDMP COc1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1O ZINC000246109818 426799583 /nfs/dbraw/zinc/79/95/83/426799583.db2.gz JSLHWKHADNVRMY-YOEHRIQHSA-N 2 1 316.445 2.850 20 10 DFCDMP COc1cccc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c1O ZINC000290647494 426812055 /nfs/dbraw/zinc/81/20/55/426812055.db2.gz YXKAZENFCKNBJS-OAHLLOKOSA-N 2 1 304.434 2.565 20 10 DFCDMP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1cc(F)ccc1O ZINC000278814865 427462928 /nfs/dbraw/zinc/46/29/28/427462928.db2.gz ZUZKSFDYOZFXHZ-KGLIPLIRSA-N 2 1 310.413 2.683 20 10 DFCDMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1cc(F)ccc1O ZINC000278814865 427462933 /nfs/dbraw/zinc/46/29/33/427462933.db2.gz ZUZKSFDYOZFXHZ-KGLIPLIRSA-N 2 1 310.413 2.683 20 10 DFCDMP CCOCc1cc(C[NH2+]CC2=CC[N@@H+](C)CC2)ccc1OC ZINC000271773463 427585773 /nfs/dbraw/zinc/58/57/73/427585773.db2.gz CDJKZBXHOBZAOD-UHFFFAOYSA-N 2 1 304.434 2.583 20 10 DFCDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1cc(Cl)ccc1O ZINC000371471468 428392282 /nfs/dbraw/zinc/39/22/82/428392282.db2.gz UQKOMSYHSRIHRD-BFYDXBDKSA-N 2 1 324.852 2.729 20 10 DFCDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1cc(Cl)ccc1O ZINC000371471468 428392289 /nfs/dbraw/zinc/39/22/89/428392289.db2.gz UQKOMSYHSRIHRD-BFYDXBDKSA-N 2 1 324.852 2.729 20 10 DFCDMP CC[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(N(C)C)cc1 ZINC000372064294 428412438 /nfs/dbraw/zinc/41/24/38/428412438.db2.gz BAEFRTKKOIQBHE-FHWLQOOXSA-N 2 1 317.477 2.657 20 10 DFCDMP CC[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(N(C)C)cc1 ZINC000372064294 428412443 /nfs/dbraw/zinc/41/24/43/428412443.db2.gz BAEFRTKKOIQBHE-FHWLQOOXSA-N 2 1 317.477 2.657 20 10 DFCDMP COc1cc(Cl)cc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)c1O ZINC000290298827 274095217 /nfs/dbraw/zinc/09/52/17/274095217.db2.gz BBFBNRCSAOQPGF-DOMZBBRYSA-N 2 1 324.852 2.970 20 10 DFCDMP COc1cc(Cl)cc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c1O ZINC000290298827 274095218 /nfs/dbraw/zinc/09/52/18/274095218.db2.gz BBFBNRCSAOQPGF-DOMZBBRYSA-N 2 1 324.852 2.970 20 10 DFCDMP COc1cc(Cl)cc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c1O ZINC000290298827 274095219 /nfs/dbraw/zinc/09/52/19/274095219.db2.gz BBFBNRCSAOQPGF-DOMZBBRYSA-N 2 1 324.852 2.970 20 10 DFCDMP Cc1cc(Cl)cc(C[NH2+]C[C@H]2CCn3cc[nH+]c3C2)c1O ZINC000366741232 429505247 /nfs/dbraw/zinc/50/52/47/429505247.db2.gz AZGCSMSTENVWKG-LBPRGKRZSA-N 2 1 305.809 2.903 20 10 DFCDMP Cc1ccc([C@H](C)[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)c(O)c1C ZINC000368325008 429831144 /nfs/dbraw/zinc/83/11/44/429831144.db2.gz WPVCWTXXWAVNEF-JYJNAYRXSA-N 2 1 304.434 2.523 20 10 DFCDMP Cc1ccc([C@H](C)[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)c(O)c1C ZINC000368325008 429831147 /nfs/dbraw/zinc/83/11/47/429831147.db2.gz WPVCWTXXWAVNEF-JYJNAYRXSA-N 2 1 304.434 2.523 20 10 DFCDMP CC[C@H](c1ccccc1O)[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000366679030 281024718 /nfs/dbraw/zinc/02/47/18/281024718.db2.gz LZSNJPXABCPACT-FUHWJXTLSA-N 2 1 317.477 2.555 20 10 DFCDMP CCOc1ccc(O)c(C[N@H+]2CCCC23CC[NH+](C)CC3)c1 ZINC000375472636 337011818 /nfs/dbraw/zinc/01/18/18/337011818.db2.gz LBVUBCDWWDJINP-UHFFFAOYSA-N 2 1 304.434 2.851 20 10 DFCDMP Cc1cc(N2CCC[C@H]([NH2+]Cc3ccccc3O)C2)nc(C)[nH+]1 ZINC000360097002 500659309 /nfs/dbraw/zinc/65/93/09/500659309.db2.gz WIQHINFSVAJWPM-INIZCTEOSA-N 2 1 312.417 2.558 20 10 DFCDMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc(C(=O)OC)ccc2O)C1 ZINC000273414696 534947883 /nfs/dbraw/zinc/94/78/83/534947883.db2.gz QMDXCSXNXQPYFY-KGLIPLIRSA-N 2 1 320.433 2.561 20 10 DFCDMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc(C(=O)OC)ccc2O)C1 ZINC000273414696 534947888 /nfs/dbraw/zinc/94/78/88/534947888.db2.gz QMDXCSXNXQPYFY-KGLIPLIRSA-N 2 1 320.433 2.561 20 10 DFCDMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cc(C(=O)OC)ccc2O)C1 ZINC000273414704 534956900 /nfs/dbraw/zinc/95/69/00/534956900.db2.gz QMDXCSXNXQPYFY-ZIAGYGMSSA-N 2 1 320.433 2.561 20 10 DFCDMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cc(C(=O)OC)ccc2O)C1 ZINC000273414704 534956903 /nfs/dbraw/zinc/95/69/03/534956903.db2.gz QMDXCSXNXQPYFY-ZIAGYGMSSA-N 2 1 320.433 2.561 20 10 DFCDMP Cc1ccc([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCCC2)c(O)c1C ZINC000273388098 130115503 /nfs/dbraw/zinc/11/55/03/130115503.db2.gz KDAZEFHSRQZPHI-JKSUJKDBSA-N 2 1 306.450 2.506 20 10 DFCDMP CCOc1ccc(O)c(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000092043567 426346996 /nfs/dbraw/zinc/34/69/96/426346996.db2.gz XWXMMTIJIWGNKV-RHSMWYFYSA-N 2 1 304.434 2.707 20 10 DFCDMP CCOc1ccc(O)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000092043567 426346998 /nfs/dbraw/zinc/34/69/98/426346998.db2.gz XWXMMTIJIWGNKV-RHSMWYFYSA-N 2 1 304.434 2.707 20 10 DFCDMP CCOc1ccc(O)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000092043567 426347001 /nfs/dbraw/zinc/34/70/01/426347001.db2.gz XWXMMTIJIWGNKV-RHSMWYFYSA-N 2 1 304.434 2.707 20 10 DFCDMP CCOc1ccc(O)c(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000092043568 426347185 /nfs/dbraw/zinc/34/71/85/426347185.db2.gz XWXMMTIJIWGNKV-PBHICJAKSA-N 2 1 304.434 2.707 20 10 DFCDMP CCOc1ccc(O)c(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000092043568 426347186 /nfs/dbraw/zinc/34/71/86/426347186.db2.gz XWXMMTIJIWGNKV-PBHICJAKSA-N 2 1 304.434 2.707 20 10 DFCDMP CCOc1ccc(O)c(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000092043568 426347191 /nfs/dbraw/zinc/34/71/91/426347191.db2.gz XWXMMTIJIWGNKV-PBHICJAKSA-N 2 1 304.434 2.707 20 10 DFCDMP CCOc1ccc(O)c(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000093598099 426355586 /nfs/dbraw/zinc/35/55/86/426355586.db2.gz HIGJBCCKMXPHTC-OAHLLOKOSA-N 2 1 304.434 2.709 20 10 DFCDMP CN(C)c1ccc(C[NH2+]C2CC[NH+](C3CCC3)CC2)cc1F ZINC000264946710 426579600 /nfs/dbraw/zinc/57/96/00/426579600.db2.gz JBVFTSXWUGGGJS-UHFFFAOYSA-N 2 1 305.441 2.998 20 10 DFCDMP COc1cccc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c1O ZINC000290647493 426813024 /nfs/dbraw/zinc/81/30/24/426813024.db2.gz YXKAZENFCKNBJS-HNNXBMFYSA-N 2 1 304.434 2.565 20 10 DFCDMP CC[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccccc1O ZINC000278476813 427442987 /nfs/dbraw/zinc/44/29/87/427442987.db2.gz KFJDHDSYYDFTJB-DOTOQJQBSA-N 2 1 306.450 2.934 20 10 DFCDMP CC[N@@H+](C)C[C@@H]1CCN(Cc2cc(Cl)cc(OC)c2O)C1 ZINC000184700326 427521732 /nfs/dbraw/zinc/52/17/32/427521732.db2.gz HFHQYEVXDRNEGP-LBPRGKRZSA-N 2 1 312.841 2.828 20 10 DFCDMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1cc(Cl)ccc1O ZINC000371471469 428391698 /nfs/dbraw/zinc/39/16/98/428391698.db2.gz UQKOMSYHSRIHRD-HLLBOEOZSA-N 2 1 324.852 2.729 20 10 DFCDMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1cc(Cl)ccc1O ZINC000371471469 428391702 /nfs/dbraw/zinc/39/17/02/428391702.db2.gz UQKOMSYHSRIHRD-HLLBOEOZSA-N 2 1 324.852 2.729 20 10 DFCDMP C[C@H]([NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C)c1ccccc1O ZINC000374673768 428727909 /nfs/dbraw/zinc/72/79/09/428727909.db2.gz AYJDIHOAJNJKJR-MUQADHOPSA-N 2 1 318.461 2.932 20 10 DFCDMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C)c1ccccc1O ZINC000374673768 428727912 /nfs/dbraw/zinc/72/79/12/428727912.db2.gz AYJDIHOAJNJKJR-MUQADHOPSA-N 2 1 318.461 2.932 20 10 DFCDMP Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c(O)c1C ZINC000368325006 429831929 /nfs/dbraw/zinc/83/19/29/429831929.db2.gz WPVCWTXXWAVNEF-ARFHVFGLSA-N 2 1 304.434 2.523 20 10 DFCDMP Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c(O)c1C ZINC000368325006 429831931 /nfs/dbraw/zinc/83/19/31/429831931.db2.gz WPVCWTXXWAVNEF-ARFHVFGLSA-N 2 1 304.434 2.523 20 10 DFCDMP CCOc1cccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1O ZINC000293773610 335113353 /nfs/dbraw/zinc/11/33/53/335113353.db2.gz YSENTBLONRYSRD-GOSISDBHSA-N 2 1 304.434 2.709 20 10 DFCDMP CCOc1cccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)c1O ZINC000293773610 335113354 /nfs/dbraw/zinc/11/33/54/335113354.db2.gz YSENTBLONRYSRD-GOSISDBHSA-N 2 1 304.434 2.709 20 10 DFCDMP CCOc1cccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)c1O ZINC000293773610 335113356 /nfs/dbraw/zinc/11/33/56/335113356.db2.gz YSENTBLONRYSRD-GOSISDBHSA-N 2 1 304.434 2.709 20 10 DFCDMP Cc1cc(C)c([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)c(O)c1 ZINC000293796494 335117457 /nfs/dbraw/zinc/11/74/57/335117457.db2.gz QWSXTXWLIMPXCQ-IRXDYDNUSA-N 2 1 320.477 2.897 20 10 DFCDMP COc1ccc(O)c(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000180765875 524746198 /nfs/dbraw/zinc/74/61/98/524746198.db2.gz KNMSWPAPCBXUAW-KDOFPFPSSA-N 2 1 316.445 2.850 20 10 DFCDMP COc1ccc(O)c(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000180765875 524746204 /nfs/dbraw/zinc/74/62/04/524746204.db2.gz KNMSWPAPCBXUAW-KDOFPFPSSA-N 2 1 316.445 2.850 20 10 DFCDMP COc1ccc(O)c(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000180765875 524746214 /nfs/dbraw/zinc/74/62/14/524746214.db2.gz KNMSWPAPCBXUAW-KDOFPFPSSA-N 2 1 316.445 2.850 20 10 DFCDMP CC[NH+](CC)CCC[N@H+](CC)Cc1cc(OC)c(OC)cc1O ZINC000289455284 535506486 /nfs/dbraw/zinc/50/64/86/535506486.db2.gz NQVUMFZUCWAXNG-UHFFFAOYSA-N 2 1 324.465 2.963 20 10 DFCDMP CC[NH+](CC)CCC[N@@H+](CC)Cc1cc(OC)c(OC)cc1O ZINC000289455284 535506493 /nfs/dbraw/zinc/50/64/93/535506493.db2.gz NQVUMFZUCWAXNG-UHFFFAOYSA-N 2 1 324.465 2.963 20 10 DFCDMP COCC[NH+]1CCC([NH2+][C@@H](C)c2c(C)cc(C)cc2O)CC1 ZINC000284045183 131043078 /nfs/dbraw/zinc/04/30/78/131043078.db2.gz KAAXLUHMKFTXJH-HNNXBMFYSA-N 2 1 306.450 2.770 20 10 DFCDMP COc1cc(Cl)cc(C[N@@H+](C)CCC[NH+]2CCCC2)c1O ZINC000281340232 426714588 /nfs/dbraw/zinc/71/45/88/426714588.db2.gz SPRUFBPTDWPKFO-UHFFFAOYSA-N 2 1 312.841 2.972 20 10 DFCDMP COc1ccc(O)c(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000245843506 426774004 /nfs/dbraw/zinc/77/40/04/426774004.db2.gz KNMSWPAPCBXUAW-KSSFIOAISA-N 2 1 316.445 2.850 20 10 DFCDMP COc1ccc(O)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000245843506 426774008 /nfs/dbraw/zinc/77/40/08/426774008.db2.gz KNMSWPAPCBXUAW-KSSFIOAISA-N 2 1 316.445 2.850 20 10 DFCDMP COc1ccc(O)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000245843506 426774013 /nfs/dbraw/zinc/77/40/13/426774013.db2.gz KNMSWPAPCBXUAW-KSSFIOAISA-N 2 1 316.445 2.850 20 10 DFCDMP CCOc1ccc(O)c(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)c1 ZINC000290346665 426747991 /nfs/dbraw/zinc/74/79/91/426747991.db2.gz FUXNZAMEGXHEQL-YOEHRIQHSA-N 2 1 304.434 2.707 20 10 DFCDMP CCOc1ccc(O)c(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000290346665 426747994 /nfs/dbraw/zinc/74/79/94/426747994.db2.gz FUXNZAMEGXHEQL-YOEHRIQHSA-N 2 1 304.434 2.707 20 10 DFCDMP CCOc1ccc(O)c(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c1 ZINC000290346665 426747999 /nfs/dbraw/zinc/74/79/99/426747999.db2.gz FUXNZAMEGXHEQL-YOEHRIQHSA-N 2 1 304.434 2.707 20 10 DFCDMP Cc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)c(O)c1 ZINC000278789103 427453020 /nfs/dbraw/zinc/45/30/20/427453020.db2.gz YQKIPCXGWDOZOP-HZPDHXFCSA-N 2 1 306.450 2.852 20 10 DFCDMP COCCC[NH+]1CCC([NH2+][C@@H](C)c2cc(C)ccc2O)CC1 ZINC000185314353 427633721 /nfs/dbraw/zinc/63/37/21/427633721.db2.gz HGOQYXMRTMTMTC-HNNXBMFYSA-N 2 1 306.450 2.852 20 10 DFCDMP Oc1ccccc1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000369857932 428077164 /nfs/dbraw/zinc/07/71/64/428077164.db2.gz UPYOUYWVYCXEOC-KDURUIRLSA-N 2 1 308.425 2.956 20 10 DFCDMP Oc1ccccc1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000369857932 428077168 /nfs/dbraw/zinc/07/71/68/428077168.db2.gz UPYOUYWVYCXEOC-KDURUIRLSA-N 2 1 308.425 2.956 20 10 DFCDMP Oc1ccccc1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000369857932 428077174 /nfs/dbraw/zinc/07/71/74/428077174.db2.gz UPYOUYWVYCXEOC-KDURUIRLSA-N 2 1 308.425 2.956 20 10 DFCDMP COc1cc(Cl)cc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)c1O ZINC000290298833 274095226 /nfs/dbraw/zinc/09/52/26/274095226.db2.gz BBFBNRCSAOQPGF-SWLSCSKDSA-N 2 1 324.852 2.970 20 10 DFCDMP COc1cc(Cl)cc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)c1O ZINC000290298833 274095227 /nfs/dbraw/zinc/09/52/27/274095227.db2.gz BBFBNRCSAOQPGF-SWLSCSKDSA-N 2 1 324.852 2.970 20 10 DFCDMP COc1cc(Cl)cc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c1O ZINC000290298833 274095228 /nfs/dbraw/zinc/09/52/28/274095228.db2.gz BBFBNRCSAOQPGF-SWLSCSKDSA-N 2 1 324.852 2.970 20 10 DFCDMP CCOc1ccc(O)c(C[N@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)c1 ZINC000364673760 333326078 /nfs/dbraw/zinc/32/60/78/333326078.db2.gz PWOCHGTZUARQGL-AWEZNQCLSA-N 2 1 315.417 2.682 20 10 DFCDMP CCOc1ccc(O)c(C[N@@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)c1 ZINC000364673760 333326079 /nfs/dbraw/zinc/32/60/79/333326079.db2.gz PWOCHGTZUARQGL-AWEZNQCLSA-N 2 1 315.417 2.682 20 10 DFCDMP C[N@@H+](Cc1cc(Cl)ccc1O)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000364674312 333326108 /nfs/dbraw/zinc/32/61/08/333326108.db2.gz RILDIHUBGTZGEF-LBPRGKRZSA-N 2 1 305.809 2.937 20 10 DFCDMP C[N@H+](Cc1cc(Cl)ccc1O)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000364674312 333326110 /nfs/dbraw/zinc/32/61/10/333326110.db2.gz RILDIHUBGTZGEF-LBPRGKRZSA-N 2 1 305.809 2.937 20 10 DFCDMP COc1cc(Cl)cc(C[NH2+]C[C@@H]2CCn3cc[nH+]c3C2)c1O ZINC000366746908 334475321 /nfs/dbraw/zinc/47/53/21/334475321.db2.gz SJDGSBCCJUXBFC-LLVKDONJSA-N 2 1 321.808 2.603 20 10 DFCDMP [O-]c1c(F)cccc1C[N@H+]1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000272373225 130024673 /nfs/dbraw/zinc/02/46/73/130024673.db2.gz GXOQCVVMBLJWAW-CXAGYDPISA-N 2 1 304.409 2.980 20 10 DFCDMP Cc1ccc([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCCCC2)c(O)c1C ZINC000273388092 130116192 /nfs/dbraw/zinc/11/61/92/130116192.db2.gz KDAZEFHSRQZPHI-CVEARBPZSA-N 2 1 306.450 2.506 20 10 DFCDMP COc1cc(Cl)cc(C[NH2+]CCCn2cc[nH+]c2C)c1O ZINC000273811642 130170224 /nfs/dbraw/zinc/17/02/24/130170224.db2.gz YZDXKDZOEDZBDD-UHFFFAOYSA-N 2 1 309.797 2.739 20 10 DFCDMP Cc1cc(C)c([C@H](C)[NH2+]CCC[NH+]2CCC(O)CC2)c(O)c1 ZINC000284103068 131049529 /nfs/dbraw/zinc/04/95/29/131049529.db2.gz MWFYIXSGNJGLTB-HNNXBMFYSA-N 2 1 306.450 2.506 20 10 DFCDMP CC[NH+](CC)[C@H](C)C[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000127572916 426074411 /nfs/dbraw/zinc/07/44/11/426074411.db2.gz UYAZSSSVRLGLAW-MRXNPFEDSA-N 2 1 319.493 2.984 20 10 DFCDMP COCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000154833669 426457261 /nfs/dbraw/zinc/45/72/61/426457261.db2.gz JFWGJZFCSXLOMO-HNNXBMFYSA-N 2 1 305.466 2.514 20 10 DFCDMP CC[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(N(C)C)cc1 ZINC000268830086 427132862 /nfs/dbraw/zinc/13/28/62/427132862.db2.gz KDTJGSNWSXSADO-IBGZPJMESA-N 2 1 319.493 2.640 20 10 DFCDMP CC[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ccc(F)cc1O ZINC000286027882 427404803 /nfs/dbraw/zinc/40/48/03/427404803.db2.gz KADZUBIOXFNTOX-RDJZCZTQSA-N 2 1 324.440 2.809 20 10 DFCDMP CC[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc(F)cc1O ZINC000286027882 427404811 /nfs/dbraw/zinc/40/48/11/427404811.db2.gz KADZUBIOXFNTOX-RDJZCZTQSA-N 2 1 324.440 2.809 20 10 DFCDMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1cc(F)ccc1O ZINC000278814879 427464932 /nfs/dbraw/zinc/46/49/32/427464932.db2.gz ZUZKSFDYOZFXHZ-ZIAGYGMSSA-N 2 1 310.413 2.683 20 10 DFCDMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1cc(F)ccc1O ZINC000278814879 427464938 /nfs/dbraw/zinc/46/49/38/427464938.db2.gz ZUZKSFDYOZFXHZ-ZIAGYGMSSA-N 2 1 310.413 2.683 20 10 DFCDMP Cc1cc(O)c(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)cc1C ZINC000365547163 429339420 /nfs/dbraw/zinc/33/94/20/429339420.db2.gz BMJQKQYDEMYSFQ-KZNAEPCWSA-N 2 1 300.446 2.925 20 10 DFCDMP Cc1cc(O)c(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)cc1C ZINC000365547163 429339422 /nfs/dbraw/zinc/33/94/22/429339422.db2.gz BMJQKQYDEMYSFQ-KZNAEPCWSA-N 2 1 300.446 2.925 20 10 DFCDMP Cc1cc(O)c(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)cc1C ZINC000365547163 429339424 /nfs/dbraw/zinc/33/94/24/429339424.db2.gz BMJQKQYDEMYSFQ-KZNAEPCWSA-N 2 1 300.446 2.925 20 10 DFCDMP COc1ccc(O)c([C@H](C)[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000368806447 429895745 /nfs/dbraw/zinc/89/57/45/429895745.db2.gz NVSXTJJBAIKRLO-JJRVBVJISA-N 2 1 304.434 2.878 20 10 DFCDMP COc1ccc(O)c([C@H](C)[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000368806447 429895747 /nfs/dbraw/zinc/89/57/47/429895747.db2.gz NVSXTJJBAIKRLO-JJRVBVJISA-N 2 1 304.434 2.878 20 10 DFCDMP COc1ccc(O)c([C@H](C)[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000368806447 429895749 /nfs/dbraw/zinc/89/57/49/429895749.db2.gz NVSXTJJBAIKRLO-JJRVBVJISA-N 2 1 304.434 2.878 20 10 DFCDMP COc1ccc(O)c([C@@H](C)[N@H+](C)C[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000377860819 337062802 /nfs/dbraw/zinc/06/28/02/337062802.db2.gz OFMQMGVADRXLEH-KGLIPLIRSA-N 2 1 315.417 2.853 20 10 DFCDMP COc1ccc(O)c([C@@H](C)[N@@H+](C)C[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000377860819 337062803 /nfs/dbraw/zinc/06/28/03/337062803.db2.gz OFMQMGVADRXLEH-KGLIPLIRSA-N 2 1 315.417 2.853 20 10 DFCDMP COc1ccc(O)c(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000180363223 524736009 /nfs/dbraw/zinc/73/60/09/524736009.db2.gz LMRNGCGHOZUUJR-MRXNPFEDSA-N 2 1 304.434 2.851 20 10 DFCDMP CC[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccc(F)cc1O ZINC000285687751 535894018 /nfs/dbraw/zinc/89/40/18/535894018.db2.gz OIBQXOVDFJNNDC-KRWDZBQOSA-N 2 1 323.456 2.598 20 10 DFCDMP CC[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(F)cc1[O-] ZINC000285510030 131175578 /nfs/dbraw/zinc/17/55/78/131175578.db2.gz AOQTUEGRVSBBQK-KRWDZBQOSA-N 2 1 323.456 2.600 20 10 DFCDMP CC[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(F)cc1O ZINC000285510030 131175580 /nfs/dbraw/zinc/17/55/80/131175580.db2.gz AOQTUEGRVSBBQK-KRWDZBQOSA-N 2 1 323.456 2.600 20 10 DFCDMP CC[C@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1ccc(F)cc1O ZINC000286260966 131227005 /nfs/dbraw/zinc/22/70/05/131227005.db2.gz VCVXAVNQBYGVMI-YOEHRIQHSA-N 2 1 323.456 2.598 20 10 DFCDMP CC[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccc(F)cc1O ZINC000287695441 131295874 /nfs/dbraw/zinc/29/58/74/131295874.db2.gz WXQVUOUAZILYQG-MRXNPFEDSA-N 2 1 323.456 2.598 20 10 DFCDMP CC[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(F)cc1O ZINC000287695441 131295875 /nfs/dbraw/zinc/29/58/75/131295875.db2.gz WXQVUOUAZILYQG-MRXNPFEDSA-N 2 1 323.456 2.598 20 10 DFCDMP COc1cc(Cl)cc(CN2CC[C@H]3CC[N@@H+](C)C[C@@H]32)c1O ZINC000273699572 426709625 /nfs/dbraw/zinc/70/96/25/426709625.db2.gz CZKHZHSHBMJERQ-RISCZKNCSA-N 2 1 310.825 2.580 20 10 DFCDMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000293859552 427464641 /nfs/dbraw/zinc/46/46/41/427464641.db2.gz IFLIOMKNDVWNGD-YGRLFVJLSA-N 2 1 300.805 2.957 20 10 DFCDMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000293859552 427464650 /nfs/dbraw/zinc/46/46/50/427464650.db2.gz IFLIOMKNDVWNGD-YGRLFVJLSA-N 2 1 300.805 2.957 20 10 DFCDMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000293859552 427464657 /nfs/dbraw/zinc/46/46/57/427464657.db2.gz IFLIOMKNDVWNGD-YGRLFVJLSA-N 2 1 300.805 2.957 20 10 DFCDMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2cc(C)ccc2O)CC1 ZINC000185014447 427577770 /nfs/dbraw/zinc/57/77/70/427577770.db2.gz ASVZZQLVCROCQW-QGZVFWFLSA-N 2 1 319.493 2.769 20 10 DFCDMP c1cn2c([nH+]1)CC[C@H]([NH2+]Cc1ccc(N3CCCCC3)cc1)C2 ZINC000368846866 429897956 /nfs/dbraw/zinc/89/79/56/429897956.db2.gz UFABAIZWVJRBEA-KRWDZBQOSA-N 2 1 310.445 2.978 20 10 DFCDMP CC[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(F)cc1O ZINC000286027887 288039129 /nfs/dbraw/zinc/03/91/29/288039129.db2.gz KADZUBIOXFNTOX-WBVHZDCISA-N 2 1 324.440 2.809 20 10 DFCDMP CC[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(F)cc1O ZINC000286027887 288039133 /nfs/dbraw/zinc/03/91/33/288039133.db2.gz KADZUBIOXFNTOX-WBVHZDCISA-N 2 1 324.440 2.809 20 10 DFCDMP CC(=O)c1cc(F)cc(C[N@H+](C)[C@H]2CCN(C)[C@H](C)C2)c1[O-] ZINC000175716535 333103307 /nfs/dbraw/zinc/10/33/07/333103307.db2.gz UHALWUGUGCNDPW-ABAIWWIYSA-N 2 1 308.397 2.648 20 10 DFCDMP CC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc(C)cc1O ZINC000280193666 334114871 /nfs/dbraw/zinc/11/48/71/334114871.db2.gz SJUNNHAUBMDKNQ-NVXWUHKLSA-N 2 1 306.450 2.588 20 10 DFCDMP CCOc1cccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1O ZINC000156095330 521346206 /nfs/dbraw/zinc/34/62/06/521346206.db2.gz GJSIRCUQTQOTLF-GDBMZVCRSA-N 2 1 304.434 2.707 20 10 DFCDMP CCOc1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1O ZINC000156095330 521346212 /nfs/dbraw/zinc/34/62/12/521346212.db2.gz GJSIRCUQTQOTLF-GDBMZVCRSA-N 2 1 304.434 2.707 20 10 DFCDMP CCOc1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1O ZINC000156095330 521346218 /nfs/dbraw/zinc/34/62/18/521346218.db2.gz GJSIRCUQTQOTLF-GDBMZVCRSA-N 2 1 304.434 2.707 20 10 DFCDMP COc1ccc(O)c(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000180470741 524745818 /nfs/dbraw/zinc/74/58/18/524745818.db2.gz LGEAOIDKIOTVPN-HNNXBMFYSA-N 2 1 304.434 2.709 20 10 DFCDMP Cc1ccc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c(O)c1C ZINC000273619822 130145751 /nfs/dbraw/zinc/14/57/51/130145751.db2.gz YQLQHIZPWNTZME-IAGOWNOFSA-N 2 1 320.477 2.897 20 10 DFCDMP Cc1cc(C)c([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCCCC2)c(O)c1 ZINC000284281278 131066004 /nfs/dbraw/zinc/06/60/04/131066004.db2.gz XJOSBSJOLLNWSW-CVEARBPZSA-N 2 1 306.450 2.506 20 10 DFCDMP Cc1cc(C)c([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCCCC2)c(O)c1 ZINC000284281282 131066058 /nfs/dbraw/zinc/06/60/58/131066058.db2.gz XJOSBSJOLLNWSW-HOTGVXAUSA-N 2 1 306.450 2.506 20 10 DFCDMP CC[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccc(F)cc1O ZINC000285687752 131193444 /nfs/dbraw/zinc/19/34/44/131193444.db2.gz OIBQXOVDFJNNDC-QGZVFWFLSA-N 2 1 323.456 2.598 20 10 DFCDMP CCC[N@@H+](CCC[NH+](C)C)Cc1cc(OC)c(OC)cc1O ZINC000290488615 426774974 /nfs/dbraw/zinc/77/49/74/426774974.db2.gz OLOYUHWQEHXTSE-UHFFFAOYSA-N 2 1 310.438 2.573 20 10 DFCDMP COc1cc(Cl)cc(C[N@@H+](C)[C@@H]2CCN(C)C[C@H]2C)c1O ZINC000290409279 426758344 /nfs/dbraw/zinc/75/83/44/426758344.db2.gz JXTMHPUWHKJIFC-BXUZGUMPSA-N 2 1 312.841 2.826 20 10 DFCDMP COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)c1 ZINC000179670934 426811316 /nfs/dbraw/zinc/81/13/16/426811316.db2.gz WWTSMISAFOFKQC-QWHCGFSZSA-N 2 1 303.406 2.893 20 10 DFCDMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1cc(F)ccc1O ZINC000278814872 427464102 /nfs/dbraw/zinc/46/41/02/427464102.db2.gz ZUZKSFDYOZFXHZ-UONOGXRCSA-N 2 1 310.413 2.683 20 10 DFCDMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1cc(F)ccc1O ZINC000278814872 427464105 /nfs/dbraw/zinc/46/41/05/427464105.db2.gz ZUZKSFDYOZFXHZ-UONOGXRCSA-N 2 1 310.413 2.683 20 10 DFCDMP COc1cc(Cl)cc(C[N@@H+](C)[C@@H]2CCN(C)[C@H](C)C2)c1O ZINC000184698430 427522517 /nfs/dbraw/zinc/52/25/17/427522517.db2.gz IYDYHHQKHGMCBL-BXUZGUMPSA-N 2 1 312.841 2.969 20 10 DFCDMP Cc1ccc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c(O)c1 ZINC000185414887 427647112 /nfs/dbraw/zinc/64/71/12/427647112.db2.gz AZXDSIFNNRRIBU-JKSUJKDBSA-N 2 1 306.450 2.588 20 10 DFCDMP CCOc1cccc(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)c1O ZINC000371403148 428389236 /nfs/dbraw/zinc/38/92/36/428389236.db2.gz KJHAWXLFGOXAAR-ZACQAIPSSA-N 2 1 316.445 2.707 20 10 DFCDMP CCOc1cccc(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)c1O ZINC000371403148 428389240 /nfs/dbraw/zinc/38/92/40/428389240.db2.gz KJHAWXLFGOXAAR-ZACQAIPSSA-N 2 1 316.445 2.707 20 10 DFCDMP CCOc1cccc(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)c1O ZINC000371403148 428389244 /nfs/dbraw/zinc/38/92/44/428389244.db2.gz KJHAWXLFGOXAAR-ZACQAIPSSA-N 2 1 316.445 2.707 20 10 DFCDMP CCN(CC)c1ccc(C[NH2+][C@H]2CCc3[nH+]ccn3C2)cc1F ZINC000361489915 428571597 /nfs/dbraw/zinc/57/15/97/428571597.db2.gz MHALXVWCCIEVIN-HNNXBMFYSA-N 2 1 316.424 2.973 20 10 DFCDMP CCOCc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1OC ZINC000363441570 428916310 /nfs/dbraw/zinc/91/63/10/428916310.db2.gz HYGZBBQSCJPXNM-ROUUACIJSA-N 2 1 318.461 2.948 20 10 DFCDMP CCOCc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)ccc1OC ZINC000363441570 428916316 /nfs/dbraw/zinc/91/63/16/428916316.db2.gz HYGZBBQSCJPXNM-ROUUACIJSA-N 2 1 318.461 2.948 20 10 DFCDMP COc1ccc(O)c([C@@H](C)[N@H+]2CCC[C@H](n3ccnc3)C2)c1 ZINC000364624848 429236436 /nfs/dbraw/zinc/23/64/36/429236436.db2.gz UZPRZKDAWPMQMK-KGLIPLIRSA-N 2 1 301.390 2.995 20 10 DFCDMP Cc1ccc(O)c(C[NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)c1 ZINC000364675118 429247479 /nfs/dbraw/zinc/24/74/79/429247479.db2.gz SJCWEMQUPDUJME-LPHOPBHVSA-N 2 1 311.429 2.878 20 10 DFCDMP Cc1ccc(O)c(C[NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)c1 ZINC000364675118 429247483 /nfs/dbraw/zinc/24/74/83/429247483.db2.gz SJCWEMQUPDUJME-LPHOPBHVSA-N 2 1 311.429 2.878 20 10 DFCDMP CC[C@@H](c1ccccc1O)[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000366679029 429492744 /nfs/dbraw/zinc/49/27/44/429492744.db2.gz LZSNJPXABCPACT-AEFFLSMTSA-N 2 1 317.477 2.555 20 10 DFCDMP CC[C@H](c1ccccc1O)[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000366679031 281024729 /nfs/dbraw/zinc/02/47/29/281024729.db2.gz LZSNJPXABCPACT-SJLPKXTDSA-N 2 1 317.477 2.555 20 10 DFCDMP CCOc1ccc(O)c(C[NH2+]C2CC([NH+]3CCCCC3)C2)c1 ZINC000366263011 521153113 /nfs/dbraw/zinc/15/31/13/521153113.db2.gz AYSVSIDVRZELFG-UHFFFAOYSA-N 2 1 304.434 2.897 20 10 DFCDMP CC[N@H+]1CC[C@H](C[NH2+]C2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000163259702 426095028 /nfs/dbraw/zinc/09/50/28/426095028.db2.gz BCDFYOOLIBAVEL-MRXNPFEDSA-N 2 1 317.477 2.595 20 10 DFCDMP CCOc1ccc(O)c(C[N@@H+](C)[C@H]2CC[NH+](CC)C[C@H]2C)c1 ZINC000093639571 426358101 /nfs/dbraw/zinc/35/81/01/426358101.db2.gz WBLHCNCMRDYMOW-PBHICJAKSA-N 2 1 306.450 2.953 20 10 DFCDMP CCOc1ccc(O)c(C[NH+](C)[C@H]2CC[N@H+](CC)C[C@H]2C)c1 ZINC000093639571 426358104 /nfs/dbraw/zinc/35/81/04/426358104.db2.gz WBLHCNCMRDYMOW-PBHICJAKSA-N 2 1 306.450 2.953 20 10 DFCDMP CCOc1ccc(O)c(C[NH+](C)[C@H]2CC[N@@H+](CC)C[C@H]2C)c1 ZINC000093639571 426358106 /nfs/dbraw/zinc/35/81/06/426358106.db2.gz WBLHCNCMRDYMOW-PBHICJAKSA-N 2 1 306.450 2.953 20 10 DFCDMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cccc(OCC)c2O)C1 ZINC000093742150 426358344 /nfs/dbraw/zinc/35/83/44/426358344.db2.gz MSQHKWYRWGFIJA-OAHLLOKOSA-N 2 1 306.450 2.955 20 10 DFCDMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cccc(OCC)c2O)C1 ZINC000093742150 426358345 /nfs/dbraw/zinc/35/83/45/426358345.db2.gz MSQHKWYRWGFIJA-OAHLLOKOSA-N 2 1 306.450 2.955 20 10 DFCDMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc(OCC)c2O)C1 ZINC000093742150 426358346 /nfs/dbraw/zinc/35/83/46/426358346.db2.gz MSQHKWYRWGFIJA-OAHLLOKOSA-N 2 1 306.450 2.955 20 10 DFCDMP CC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(C)cc1O ZINC000280294032 426542345 /nfs/dbraw/zinc/54/23/45/426542345.db2.gz ZKQXIPIDGGAQOK-SJLPKXTDSA-N 2 1 320.477 2.978 20 10 DFCDMP CCOc1cccc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c1O ZINC000290387352 426753501 /nfs/dbraw/zinc/75/35/01/426753501.db2.gz INSVPTCIFQEIHV-MRXNPFEDSA-N 2 1 318.461 2.955 20 10 DFCDMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000278409701 427434775 /nfs/dbraw/zinc/43/47/75/427434775.db2.gz FEKIJWCOSKYNHB-SJORKVTESA-N 2 1 319.493 2.904 20 10 DFCDMP COc1cc(Cl)cc(C[N@@H+](C)[C@H]2CCN(C)[C@@H](C)C2)c1O ZINC000184698488 427522323 /nfs/dbraw/zinc/52/23/23/427522323.db2.gz IYDYHHQKHGMCBL-FZMZJTMJSA-N 2 1 312.841 2.969 20 10 DFCDMP C[C@@H]([NH2+]C[C@@H]1CCCN1C)c1ccc(Br)cc1[O-] ZINC000185142521 427602826 /nfs/dbraw/zinc/60/28/26/427602826.db2.gz IQCDRSXOZPBZSL-PWSUYJOCSA-N 2 1 313.239 2.900 20 10 DFCDMP COCCC[NH+]1CCC([NH2+][C@H](C)c2cc(OC)ccc2O)CC1 ZINC000185314434 427634232 /nfs/dbraw/zinc/63/42/32/427634232.db2.gz SAPIQUPLBJILNZ-CQSZACIVSA-N 2 1 322.449 2.552 20 10 DFCDMP CCOCc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1OC ZINC000295102008 427691873 /nfs/dbraw/zinc/69/18/73/427691873.db2.gz VBDSYLFBAHBJEU-AYHJJNSGSA-N 2 1 318.461 2.947 20 10 DFCDMP CCOCc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1OC ZINC000295102008 427691881 /nfs/dbraw/zinc/69/18/81/427691881.db2.gz VBDSYLFBAHBJEU-AYHJJNSGSA-N 2 1 318.461 2.947 20 10 DFCDMP Cc1cc(O)c(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1C ZINC000372190056 428422461 /nfs/dbraw/zinc/42/24/61/428422461.db2.gz AUSXUBSNMHWQLA-JENIJYKNSA-N 2 1 318.461 2.693 20 10 DFCDMP C[C@H]([NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C)c1ccccc1O ZINC000374673769 428728696 /nfs/dbraw/zinc/72/86/96/428728696.db2.gz AYJDIHOAJNJKJR-NBOOPKSLSA-N 2 1 318.461 2.932 20 10 DFCDMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C)c1ccccc1O ZINC000374673769 428728699 /nfs/dbraw/zinc/72/86/99/428728699.db2.gz AYJDIHOAJNJKJR-NBOOPKSLSA-N 2 1 318.461 2.932 20 10 DFCDMP COc1ccc(O)c([C@H](C)[N@H+]2CCC[C@@H](n3ccnc3)C2)c1 ZINC000364624849 429237113 /nfs/dbraw/zinc/23/71/13/429237113.db2.gz UZPRZKDAWPMQMK-UONOGXRCSA-N 2 1 301.390 2.995 20 10 DFCDMP CCOc1cccc(C[N@H+](C)C[C@H]2CCc3[nH+]ccn3C2)c1O ZINC000364668518 429245388 /nfs/dbraw/zinc/24/53/88/429245388.db2.gz AXRPHVDDSLCXIP-CQSZACIVSA-N 2 1 315.417 2.682 20 10 DFCDMP CCOc1cccc(C[N@@H+](C)C[C@H]2CCc3[nH+]ccn3C2)c1O ZINC000364668518 429245391 /nfs/dbraw/zinc/24/53/91/429245391.db2.gz AXRPHVDDSLCXIP-CQSZACIVSA-N 2 1 315.417 2.682 20 10 DFCDMP CCOc1cccc(C[NH+]2CCC([NH+]3CCCC3)CC2)c1O ZINC000127725894 332007667 /nfs/dbraw/zinc/00/76/67/332007667.db2.gz HJDKVRVZFCFTLP-UHFFFAOYSA-N 2 1 304.434 2.851 20 10 DFCDMP CN(C)c1ccc(C[NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)cc1 ZINC000376969614 337044328 /nfs/dbraw/zinc/04/43/28/337044328.db2.gz WTANUKJMALEDDG-ICSRJNTNSA-N 2 1 324.472 2.930 20 10 DFCDMP CN(C)c1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)cc1 ZINC000376969614 337044329 /nfs/dbraw/zinc/04/43/29/337044329.db2.gz WTANUKJMALEDDG-ICSRJNTNSA-N 2 1 324.472 2.930 20 10 DFCDMP COc1ccc(N2CCC([NH2+]CC3=CC[N@@H+](C)CC3)CC2)cc1 ZINC000378458741 337073311 /nfs/dbraw/zinc/07/33/11/337073311.db2.gz SDBRTBJGPXFHEJ-UHFFFAOYSA-N 2 1 315.461 2.516 20 10 DFCDMP CCCOc1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)c(O)c1 ZINC000156011684 520345571 /nfs/dbraw/zinc/34/55/71/520345571.db2.gz AQZRLTZTJQZZRH-UHFFFAOYSA-N 2 1 306.450 2.955 20 10 DFCDMP Oc1ccc(F)cc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000180284001 526348723 /nfs/dbraw/zinc/34/87/23/526348723.db2.gz RXGRYKOXHGVWGI-DYVFJYSZSA-N 2 1 304.409 2.980 20 10 DFCDMP Oc1ccc(F)cc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000180284001 526348728 /nfs/dbraw/zinc/34/87/28/526348728.db2.gz RXGRYKOXHGVWGI-DYVFJYSZSA-N 2 1 304.409 2.980 20 10 DFCDMP Oc1ccc(F)cc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000180284001 526348731 /nfs/dbraw/zinc/34/87/31/526348731.db2.gz RXGRYKOXHGVWGI-DYVFJYSZSA-N 2 1 304.409 2.980 20 10 DFCDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000264942640 527446952 /nfs/dbraw/zinc/44/69/52/527446952.db2.gz HBDPBHSUGZSLPW-CYBMUJFWSA-N 2 1 304.413 2.823 20 10 DFCDMP