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)(C)c1cc(O)c(O)c(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000172957362 1033046435 /nfs/dbraw/zinc/04/64/35/1033046435.db2.gz GJRXOJXEGZIYCZ-MRXNPFEDSA-N 2 1 346.515 3.703 20 10 EHCDMP CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000172957362 1033046450 /nfs/dbraw/zinc/04/64/50/1033046450.db2.gz GJRXOJXEGZIYCZ-MRXNPFEDSA-N 2 1 346.515 3.703 20 10 EHCDMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(O)cc2O)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168024040 1024300422 /nfs/dbraw/zinc/30/04/22/1024300422.db2.gz ZLKBUOVKJJUBJL-HGKCTWBKSA-N 2 1 340.467 3.629 20 10 EHCDMP c1cc(N2CCCCC2)ccc1C[NH+]1CCC([NH2+]C2CCC2)CC1 ZINC000897985916 1033279109 /nfs/dbraw/zinc/27/91/09/1033279109.db2.gz UMOHTLYUDQNLOG-UHFFFAOYSA-N 2 1 327.516 3.783 20 10 EHCDMP Cc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)ccc1N1CCCCC1 ZINC000827972822 1031915615 /nfs/dbraw/zinc/91/56/15/1031915615.db2.gz COCXHWWVIYZVJF-AZUAARDMSA-N 2 1 329.532 3.900 20 10 EHCDMP Cc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1N1CCCCC1 ZINC000827972822 1031915623 /nfs/dbraw/zinc/91/56/23/1031915623.db2.gz COCXHWWVIYZVJF-AZUAARDMSA-N 2 1 329.532 3.900 20 10 EHCDMP Cc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)ccc1N1CCCCC1 ZINC000827972822 1031915635 /nfs/dbraw/zinc/91/56/35/1031915635.db2.gz COCXHWWVIYZVJF-AZUAARDMSA-N 2 1 329.532 3.900 20 10 EHCDMP Cc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)ccc1N1CCCCC1 ZINC000827972822 1031915647 /nfs/dbraw/zinc/91/56/47/1031915647.db2.gz COCXHWWVIYZVJF-AZUAARDMSA-N 2 1 329.532 3.900 20 10 EHCDMP Oc1cc2c(cc1C[N@H+]1CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C1)CCCC2 ZINC000768463434 1133144018 /nfs/dbraw/zinc/14/40/18/1133144018.db2.gz TUPBJRJHYRPUAZ-RXVVDRJESA-N 2 1 340.511 3.720 20 10 EHCDMP Oc1cc2c(cc1C[NH+]1CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C1)CCCC2 ZINC000768463434 1133144021 /nfs/dbraw/zinc/14/40/21/1133144021.db2.gz TUPBJRJHYRPUAZ-RXVVDRJESA-N 2 1 340.511 3.720 20 10 EHCDMP Oc1cc2c(cc1C[NH+]1CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C1)CCCC2 ZINC000768463434 1133144025 /nfs/dbraw/zinc/14/40/25/1133144025.db2.gz TUPBJRJHYRPUAZ-RXVVDRJESA-N 2 1 340.511 3.720 20 10 EHCDMP C[N@H+](Cc1cc(Cl)ccc1O)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000769402610 1133278167 /nfs/dbraw/zinc/27/81/67/1133278167.db2.gz MXFWBSRBQIHFIN-QGZVFWFLSA-N 2 1 344.886 4.000 20 10 EHCDMP C[NH+](Cc1cc(Cl)ccc1O)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000769402610 1133278171 /nfs/dbraw/zinc/27/81/71/1133278171.db2.gz MXFWBSRBQIHFIN-QGZVFWFLSA-N 2 1 344.886 4.000 20 10 EHCDMP C[NH+](Cc1cc(Cl)ccc1O)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000769402610 1133278176 /nfs/dbraw/zinc/27/81/76/1133278176.db2.gz MXFWBSRBQIHFIN-QGZVFWFLSA-N 2 1 344.886 4.000 20 10 EHCDMP CCc1cc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c(O)c(C(C)(C)C)c1 ZINC000793748808 1134988703 /nfs/dbraw/zinc/98/87/03/1134988703.db2.gz UISYEMMXQDHXFZ-NRFANRHFSA-N 2 1 330.516 3.780 20 10 EHCDMP CCc1cc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c(O)c(C(C)(C)C)c1 ZINC000793748808 1134988708 /nfs/dbraw/zinc/98/87/08/1134988708.db2.gz UISYEMMXQDHXFZ-NRFANRHFSA-N 2 1 330.516 3.780 20 10 EHCDMP CCc1cc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c(O)c(C(C)(C)C)c1 ZINC000793748808 1134988713 /nfs/dbraw/zinc/98/87/13/1134988713.db2.gz UISYEMMXQDHXFZ-NRFANRHFSA-N 2 1 330.516 3.780 20 10 EHCDMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccc(N3CCCCC3)cc2)C1 ZINC000809767519 1135879886 /nfs/dbraw/zinc/87/98/86/1135879886.db2.gz NFYCSGRPFUIVSG-TZIWHRDSSA-N 2 1 327.516 3.593 20 10 EHCDMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccc(N3CCCCC3)cc2)C1 ZINC000809767519 1135879891 /nfs/dbraw/zinc/87/98/91/1135879891.db2.gz NFYCSGRPFUIVSG-TZIWHRDSSA-N 2 1 327.516 3.593 20 10 EHCDMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccc(N3CCCCC3)cc2)C1 ZINC000809767519 1135879894 /nfs/dbraw/zinc/87/98/94/1135879894.db2.gz NFYCSGRPFUIVSG-TZIWHRDSSA-N 2 1 327.516 3.593 20 10 EHCDMP COc1cc(C[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)c(O)c(C(C)(C)C)c1 ZINC000850120074 1136212193 /nfs/dbraw/zinc/21/21/93/1136212193.db2.gz VNWOFYAKWHYHQU-INIZCTEOSA-N 2 1 348.531 3.908 20 10 EHCDMP Cc1cc(C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)c(O)c(C(C)(C)C)c1 ZINC000853623165 1136550533 /nfs/dbraw/zinc/55/05/33/1136550533.db2.gz FRQWSLUBPDFICZ-SFHVURJKSA-N 2 1 348.531 3.541 20 10 EHCDMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc(N(C)C)c(C)c1 ZINC000815101796 1136556032 /nfs/dbraw/zinc/55/60/32/1136556032.db2.gz ARVBVNMOKOCIHY-UHFFFAOYSA-N 2 1 328.504 3.732 20 10 EHCDMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc(N(C)C)c(C)c1 ZINC000815101796 1136556036 /nfs/dbraw/zinc/55/60/36/1136556036.db2.gz ARVBVNMOKOCIHY-UHFFFAOYSA-N 2 1 328.504 3.732 20 10 EHCDMP C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1cccc(C(F)(F)F)c1O ZINC000817587144 1136826137 /nfs/dbraw/zinc/82/61/37/1136826137.db2.gz VEGMDNHDHIIIMP-PNESKVBLSA-N 2 1 330.394 3.934 20 10 EHCDMP COc1ccc(O)c([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000186518359 1140207744 /nfs/dbraw/zinc/20/77/44/1140207744.db2.gz ZUJMGBVSBUKLKF-OWCLPIDISA-N 2 1 332.488 3.704 20 10 EHCDMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)c1cc(F)ccc1O ZINC000359874312 201115115 /nfs/dbraw/zinc/11/51/15/201115115.db2.gz RFPFCDWPSHWPCC-YYFZDKIDSA-N 2 1 328.431 3.875 20 10 EHCDMP C[C@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(F)cc1O ZINC000185337427 1126868287 /nfs/dbraw/zinc/86/82/87/1126868287.db2.gz HEAUSTMKLIGOFU-FUHWJXTLSA-N 2 1 342.458 3.747 20 10 EHCDMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(F)cc1O ZINC000185337427 1126868291 /nfs/dbraw/zinc/86/82/91/1126868291.db2.gz HEAUSTMKLIGOFU-FUHWJXTLSA-N 2 1 342.458 3.747 20 10 EHCDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000185346724 1126873351 /nfs/dbraw/zinc/87/33/51/1126873351.db2.gz LRTUPBPJVYLEQX-GJZGRUSLSA-N 2 1 327.472 3.763 20 10 EHCDMP Cc1nccn1CCC[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000762926857 1121528352 /nfs/dbraw/zinc/52/83/52/1121528352.db2.gz WPPJWDSNNSGQMJ-UHFFFAOYSA-N 2 1 325.412 3.583 20 10 EHCDMP Cc1[nH+]ccn1CCC[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000762926857 1121528355 /nfs/dbraw/zinc/52/83/55/1121528355.db2.gz WPPJWDSNNSGQMJ-UHFFFAOYSA-N 2 1 325.412 3.583 20 10 EHCDMP Cc1[nH+]ccn1CCC[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000762926857 1121528359 /nfs/dbraw/zinc/52/83/59/1121528359.db2.gz WPPJWDSNNSGQMJ-UHFFFAOYSA-N 2 1 325.412 3.583 20 10 EHCDMP Cc1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c(O)c(C(C)(C)C)c1 ZINC000739875996 1131511706 /nfs/dbraw/zinc/51/17/06/1131511706.db2.gz LMFQRVWFXRFMKL-KRWDZBQOSA-N 2 1 330.516 3.916 20 10 EHCDMP CC[N@@H+](CCc1ccccc1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775652979 1135422935 /nfs/dbraw/zinc/42/29/35/1135422935.db2.gz YADFNUHHHXHQKK-UHFFFAOYSA-N 2 1 337.511 3.503 20 10 EHCDMP C[C@H](C[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC000775679276 1135503748 /nfs/dbraw/zinc/50/37/48/1135503748.db2.gz UEHUCFJRLQQJPF-LJQANCHMSA-N 2 1 337.511 3.674 20 10 EHCDMP Oc1ccc(F)cc1C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000809703733 1135875127 /nfs/dbraw/zinc/87/51/27/1135875127.db2.gz OZVFPCMHRGHNHR-OAQYLSRUSA-N 2 1 340.442 3.629 20 10 EHCDMP Oc1ccc(F)cc1C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000809703733 1135875129 /nfs/dbraw/zinc/87/51/29/1135875129.db2.gz OZVFPCMHRGHNHR-OAQYLSRUSA-N 2 1 340.442 3.629 20 10 EHCDMP Oc1ccc(F)cc1C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000809703733 1135875133 /nfs/dbraw/zinc/87/51/33/1135875133.db2.gz OZVFPCMHRGHNHR-OAQYLSRUSA-N 2 1 340.442 3.629 20 10 EHCDMP Oc1ccc(F)cc1C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000809703733 1135875137 /nfs/dbraw/zinc/87/51/37/1135875137.db2.gz OZVFPCMHRGHNHR-OAQYLSRUSA-N 2 1 340.442 3.629 20 10 EHCDMP Nc1ccc(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000817956939 1136851671 /nfs/dbraw/zinc/85/16/71/1136851671.db2.gz GGKMPKZGYNUHBV-KOUNCHBCSA-N 2 1 335.495 3.597 20 10 EHCDMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2cc(F)c(N(C)C)cc2F)c1 ZINC000858128005 1136941903 /nfs/dbraw/zinc/94/19/03/1136941903.db2.gz XVWCCFMQMBOOKY-UHFFFAOYSA-N 2 1 347.453 3.772 20 10 EHCDMP Cc1ccc(C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)c(O)c1 ZINC000876989086 1137667196 /nfs/dbraw/zinc/66/71/96/1137667196.db2.gz OGYZLISAYIVVSP-MRXNPFEDSA-N 2 1 330.497 3.764 20 10 EHCDMP Cc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)c(O)c1 ZINC000876989086 1137667197 /nfs/dbraw/zinc/66/71/97/1137667197.db2.gz OGYZLISAYIVVSP-MRXNPFEDSA-N 2 1 330.497 3.764 20 10 EHCDMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2cc(OC)ccc2O)c1 ZINC000185352394 1140146402 /nfs/dbraw/zinc/14/64/02/1140146402.db2.gz CGMAOQXMDSOREH-HNNXBMFYSA-N 2 1 328.456 3.703 20 10 EHCDMP COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000186518343 1140207786 /nfs/dbraw/zinc/20/77/86/1140207786.db2.gz ZUJMGBVSBUKLKF-ARFHVFGLSA-N 2 1 332.488 3.704 20 10 EHCDMP CC[C@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)c1cc(Br)ccc1O ZINC000037644085 522632066 /nfs/dbraw/zinc/63/20/66/522632066.db2.gz RHZLUOHKCQRDTP-DOMZBBRYSA-N 2 1 341.293 3.537 20 10 EHCDMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000158113406 1025984602 /nfs/dbraw/zinc/98/46/02/1025984602.db2.gz SLLWUJHZUXXSKX-IAGOWNOFSA-N 2 1 333.495 3.808 20 10 EHCDMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000173449107 1033338641 /nfs/dbraw/zinc/33/86/41/1033338641.db2.gz WLQKXEVWLISXCY-OAHLLOKOSA-N 2 1 334.504 3.559 20 10 EHCDMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000173449107 1033338650 /nfs/dbraw/zinc/33/86/50/1033338650.db2.gz WLQKXEVWLISXCY-OAHLLOKOSA-N 2 1 334.504 3.559 20 10 EHCDMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000173449107 1033338662 /nfs/dbraw/zinc/33/86/62/1033338662.db2.gz WLQKXEVWLISXCY-OAHLLOKOSA-N 2 1 334.504 3.559 20 10 EHCDMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000173449107 1033338668 /nfs/dbraw/zinc/33/86/68/1033338668.db2.gz WLQKXEVWLISXCY-OAHLLOKOSA-N 2 1 334.504 3.559 20 10 EHCDMP CCN(CC)c1ccc(C[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000236916730 1040186903 /nfs/dbraw/zinc/18/69/03/1040186903.db2.gz UZJWGKAZPDUYFD-KDURUIRLSA-N 2 1 347.547 3.512 20 10 EHCDMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC001649010495 1120282718 /nfs/dbraw/zinc/28/27/18/1120282718.db2.gz WOWAXEUIZQQTSY-UHFFFAOYSA-N 2 1 338.495 3.869 20 10 EHCDMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cc(F)c(F)cc1O ZINC001181486700 1133497766 /nfs/dbraw/zinc/49/77/66/1133497766.db2.gz MCTZYFJMRBSHEB-UHFFFAOYSA-N 2 1 334.410 3.754 20 10 EHCDMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cc(F)c(F)cc1O ZINC001181486700 1133497767 /nfs/dbraw/zinc/49/77/67/1133497767.db2.gz MCTZYFJMRBSHEB-UHFFFAOYSA-N 2 1 334.410 3.754 20 10 EHCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H]3c3cccc(F)c3)cc2)CC1 ZINC000775724762 1135580203 /nfs/dbraw/zinc/58/02/03/1135580203.db2.gz KLHZZVUVCPXPQJ-NRFANRHFSA-N 2 1 339.458 3.525 20 10 EHCDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cc(C(C)C)c(C)cc2O)C1 ZINC000747469342 1135638561 /nfs/dbraw/zinc/63/85/61/1135638561.db2.gz DSEZNJHPAGGPPT-LJQANCHMSA-N 2 1 348.531 3.757 20 10 EHCDMP CCN(CC)c1ccc(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)cc1F ZINC000817903344 1136844646 /nfs/dbraw/zinc/84/46/46/1136844646.db2.gz NPURUSWJGWYJLD-RBUKOAKNSA-N 2 1 327.447 3.906 20 10 EHCDMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2cc(OC)ccc2O)c1 ZINC000185352416 1140146489 /nfs/dbraw/zinc/14/64/89/1140146489.db2.gz CGMAOQXMDSOREH-OAHLLOKOSA-N 2 1 328.456 3.703 20 10 EHCDMP CC1CCN(c2ccc(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)cc2)CC1 ZINC000166545824 1016650007 /nfs/dbraw/zinc/65/00/07/1016650007.db2.gz HRBWYJKZMZFNAM-PZJWPPBQSA-N 2 1 327.516 3.639 20 10 EHCDMP COc1cc(C)cc(C[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)c1O ZINC000894205657 1019170886 /nfs/dbraw/zinc/17/08/86/1019170886.db2.gz AFJKEUHNODMBLB-UHFFFAOYSA-N 2 1 342.483 3.839 20 10 EHCDMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000158113137 1025984468 /nfs/dbraw/zinc/98/44/68/1025984468.db2.gz SLLWUJHZUXXSKX-SJORKVTESA-N 2 1 333.495 3.808 20 10 EHCDMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000271893505 1029216969 /nfs/dbraw/zinc/21/69/69/1029216969.db2.gz SNCBASOFDZCBEJ-INIZCTEOSA-N 2 1 331.479 3.729 20 10 EHCDMP CC[NH+](CC)CCC[N@H+](CC)Cc1cc(Cl)cc(OC)c1O ZINC000318293213 1043309666 /nfs/dbraw/zinc/30/96/66/1043309666.db2.gz OBSORSMHWMGWRE-UHFFFAOYSA-N 2 1 328.884 3.608 20 10 EHCDMP CC[NH+](CC)CCC[N@@H+](CC)Cc1cc(Cl)cc(OC)c1O ZINC000318293213 1043309672 /nfs/dbraw/zinc/30/96/72/1043309672.db2.gz OBSORSMHWMGWRE-UHFFFAOYSA-N 2 1 328.884 3.608 20 10 EHCDMP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c(O)c1 ZINC000185337546 1126868646 /nfs/dbraw/zinc/86/86/46/1126868646.db2.gz VZTOXHUNYUBHKL-QUCCMNQESA-N 2 1 338.495 3.916 20 10 EHCDMP Cc1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c(C)n1-c1cccc(C)c1 ZINC000742375597 1131717726 /nfs/dbraw/zinc/71/77/26/1131717726.db2.gz SKQGXRDCGBLZKN-JXFKEZNVSA-N 2 1 325.500 3.975 20 10 EHCDMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccc(OCC)cc2O)CC1 ZINC000768302662 1133122391 /nfs/dbraw/zinc/12/23/91/1133122391.db2.gz JKTHAIPWXQNTRK-UHFFFAOYSA-N 2 1 334.504 3.735 20 10 EHCDMP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2cc(Cl)c(F)cc2O)c1 ZINC000816548817 1136732149 /nfs/dbraw/zinc/73/21/49/1136732149.db2.gz UGMYRRFZUDJSDC-UHFFFAOYSA-N 2 1 336.838 3.926 20 10 EHCDMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2cc(Cl)c(F)cc2O)c1 ZINC000816548817 1136732153 /nfs/dbraw/zinc/73/21/53/1136732153.db2.gz UGMYRRFZUDJSDC-UHFFFAOYSA-N 2 1 336.838 3.926 20 10 EHCDMP Nc1ccc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)cc1 ZINC000817957341 1136851641 /nfs/dbraw/zinc/85/16/41/1136851641.db2.gz LCKRVBOPWMMDMS-DNVJHFABSA-N 2 1 349.522 3.844 20 10 EHCDMP C[C@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1cccc(C(F)(F)F)c1O ZINC000817968517 1136853741 /nfs/dbraw/zinc/85/37/41/1136853741.db2.gz KUNJZSBIMBOJLX-NSHDSACASA-N 2 1 336.357 3.865 20 10 EHCDMP C[C@@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1cccc(C(F)(F)F)c1O ZINC000817976464 1136854593 /nfs/dbraw/zinc/85/45/93/1136854593.db2.gz ZBFNUGLPBHTLPH-JHJVBQTASA-N 2 1 330.394 3.827 20 10 EHCDMP COc1cccc([C@H](C)[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1O ZINC000846167577 1137337379 /nfs/dbraw/zinc/33/73/79/1137337379.db2.gz KXYXHUFTZHJKAM-FUHWJXTLSA-N 2 1 340.467 3.574 20 10 EHCDMP CCCC[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)Cc1ccccc1O ZINC000825789614 1137633061 /nfs/dbraw/zinc/63/30/61/1137633061.db2.gz SPJUBXBHGPMLBF-UHFFFAOYSA-N 2 1 336.439 3.775 20 10 EHCDMP Cc1cccc(O)c1C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000877054374 1137668886 /nfs/dbraw/zinc/66/88/86/1137668886.db2.gz HMZYCDQOXCSCOC-HNAYVOBHSA-N 2 1 330.497 3.935 20 10 EHCDMP Cc1cccc(O)c1C[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000877054374 1137668887 /nfs/dbraw/zinc/66/88/87/1137668887.db2.gz HMZYCDQOXCSCOC-HNAYVOBHSA-N 2 1 330.497 3.935 20 10 EHCDMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3ccccc3O)CC2)oc1C ZINC000183509085 1140043553 /nfs/dbraw/zinc/04/35/53/1140043553.db2.gz HEZIPYYUBUNOLX-OAHLLOKOSA-N 2 1 343.471 3.560 20 10 EHCDMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000185545255 1140154884 /nfs/dbraw/zinc/15/48/84/1140154884.db2.gz CYIWSRWKBOEJFJ-HNNXBMFYSA-N 2 1 327.472 3.907 20 10 EHCDMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](CC)c2ccc(C)cc2O)[C@@H](C)C1 ZINC000280054359 1020038941 /nfs/dbraw/zinc/03/89/41/1020038941.db2.gz JUZXNMPHUFRTPF-IHPCNDPISA-N 2 1 348.531 3.878 20 10 EHCDMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(O)c2O)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168029576 1024548339 /nfs/dbraw/zinc/54/83/39/1024548339.db2.gz TVAYILMKOLNEIF-HGKCTWBKSA-N 2 1 340.467 3.629 20 10 EHCDMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1cc(F)ccc1O ZINC000185337660 1126869235 /nfs/dbraw/zinc/86/92/35/1126869235.db2.gz RPESBYFSQGXUMI-FUHWJXTLSA-N 2 1 342.458 3.747 20 10 EHCDMP C[C@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1ccc(N(C)C)cc1 ZINC000764760915 1127529886 /nfs/dbraw/zinc/52/98/86/1127529886.db2.gz GLMSAMSLCSWHSI-SFHVURJKSA-N 2 1 337.511 3.852 20 10 EHCDMP C[C@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)c1ccc(N(C)C)cc1 ZINC000764760915 1127529890 /nfs/dbraw/zinc/52/98/90/1127529890.db2.gz GLMSAMSLCSWHSI-SFHVURJKSA-N 2 1 337.511 3.852 20 10 EHCDMP Cc1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c(C)n1-c1cccc(C)c1 ZINC000742375605 1131717427 /nfs/dbraw/zinc/71/74/27/1131717427.db2.gz SKQGXRDCGBLZKN-UZLBHIALSA-N 2 1 325.500 3.975 20 10 EHCDMP COc1ccc(C[NH2+]CC(C)(C)C[N@H+](C)Cc2ccccc2)c(O)c1 ZINC000793385598 1134920189 /nfs/dbraw/zinc/92/01/89/1134920189.db2.gz CMVXMWBXQFPXKP-UHFFFAOYSA-N 2 1 342.483 3.649 20 10 EHCDMP COc1ccc(C[NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)c(O)c1 ZINC000793385598 1134920196 /nfs/dbraw/zinc/92/01/96/1134920196.db2.gz CMVXMWBXQFPXKP-UHFFFAOYSA-N 2 1 342.483 3.649 20 10 EHCDMP CCc1cc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c(O)c(C(C)(C)C)c1 ZINC000793748811 1134988764 /nfs/dbraw/zinc/98/87/64/1134988764.db2.gz UISYEMMXQDHXFZ-OAQYLSRUSA-N 2 1 330.516 3.780 20 10 EHCDMP CCc1cc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c(O)c(C(C)(C)C)c1 ZINC000793748811 1134988771 /nfs/dbraw/zinc/98/87/71/1134988771.db2.gz UISYEMMXQDHXFZ-OAQYLSRUSA-N 2 1 330.516 3.780 20 10 EHCDMP CCc1cc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c(O)c(C(C)(C)C)c1 ZINC000793748811 1134988780 /nfs/dbraw/zinc/98/87/80/1134988780.db2.gz UISYEMMXQDHXFZ-OAQYLSRUSA-N 2 1 330.516 3.780 20 10 EHCDMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc(C(F)(F)F)cc1O ZINC000810216385 1135938779 /nfs/dbraw/zinc/93/87/79/1135938779.db2.gz IRBKMTQYKSUTFS-WFASDCNBSA-N 2 1 330.394 3.794 20 10 EHCDMP COc1cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c(O)c(C(C)(C)C)c1 ZINC000850160826 1136216149 /nfs/dbraw/zinc/21/61/49/1136216149.db2.gz SUQXDASUMHSCKN-ALOPSCKCSA-N 2 1 346.515 3.803 20 10 EHCDMP COc1cc(C[NH2+]C2CC([NH+]3CCCCC3)C2)c(O)c(C(C)(C)C)c1 ZINC000850283105 1136230665 /nfs/dbraw/zinc/23/06/65/1136230665.db2.gz VQUSMGFRLWVMGV-UHFFFAOYSA-N 2 1 346.515 3.805 20 10 EHCDMP COc1cc(C[NH2+]CCCC[N@@H+](C)C2CC2)c(O)c(C(C)(C)C)c1 ZINC000850319348 1136234711 /nfs/dbraw/zinc/23/47/11/1136234711.db2.gz LFVYBVAASADABQ-UHFFFAOYSA-N 2 1 334.504 3.662 20 10 EHCDMP CC(C)=CCC[C@@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001202483861 1136403992 /nfs/dbraw/zinc/40/39/92/1136403992.db2.gz VCOZTOMAVYQFCV-QGZVFWFLSA-N 2 1 333.495 3.802 20 10 EHCDMP C[C@H]1CC2(C[N@H+]1Cc1ccc(N3CCCCC3)cc1)CC[NH2+]CC2 ZINC000818430971 1136874316 /nfs/dbraw/zinc/87/43/16/1136874316.db2.gz CEHHGGJIAFVXBI-SFHVURJKSA-N 2 1 327.516 3.641 20 10 EHCDMP CC[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(C)cc1O ZINC000794804495 1137255277 /nfs/dbraw/zinc/25/52/77/1137255277.db2.gz MXXAFPAXNCCPMS-ZIFCJYIRSA-N 2 1 334.504 3.631 20 10 EHCDMP C[C@H]([NH2+]C[C@H]1CCN(Cc2ccccc2)C1)c1cc(F)cc(F)c1[O-] ZINC000794827080 1137267608 /nfs/dbraw/zinc/26/76/08/1137267608.db2.gz HAXZLXWCCKLFQL-GOEBONIOSA-N 2 1 346.421 3.843 20 10 EHCDMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc(Br)ccc2O)C1 ZINC000185112028 1140136447 /nfs/dbraw/zinc/13/64/47/1140136447.db2.gz YMVFLQLOYRAMHF-STQMWFEESA-N 2 1 341.293 3.537 20 10 EHCDMP Oc1ccccc1[C@@H](CCc1ccccc1)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530215678 1025511080 /nfs/dbraw/zinc/51/10/80/1025511080.db2.gz HUZDTOYOWFHSNQ-CTNGQTDRSA-N 2 1 336.479 3.940 20 10 EHCDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000729681248 1028441159 /nfs/dbraw/zinc/44/11/59/1028441159.db2.gz LFKUYVGEYHSGRO-MRXNPFEDSA-N 2 1 335.451 3.990 20 10 EHCDMP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1cc(Br)ccc1O ZINC000227435076 1034002415 /nfs/dbraw/zinc/00/24/15/1034002415.db2.gz MWUBYAXQOFSKAZ-ZDUSSCGKSA-N 2 1 341.293 3.509 20 10 EHCDMP C[C@H](Cc1cccc(F)c1)[NH2+]C1CC[NH+](Cc2ccccc2O)CC1 ZINC001168466657 1120663396 /nfs/dbraw/zinc/66/33/96/1120663396.db2.gz CYRPSHQLLKUSFT-MRXNPFEDSA-N 2 1 342.458 3.717 20 10 EHCDMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2ccc(N(C)C)cc2)C1 ZINC000769147938 1133232187 /nfs/dbraw/zinc/23/21/87/1133232187.db2.gz IXVKCTWCJFCJCP-ICSRJNTNSA-N 2 1 329.532 3.839 20 10 EHCDMP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccc(N(C)C)cc2)C1 ZINC000769147938 1133232190 /nfs/dbraw/zinc/23/21/90/1133232190.db2.gz IXVKCTWCJFCJCP-ICSRJNTNSA-N 2 1 329.532 3.839 20 10 EHCDMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccc(N(C)C)cc2)C1 ZINC000769147938 1133232195 /nfs/dbraw/zinc/23/21/95/1133232195.db2.gz IXVKCTWCJFCJCP-ICSRJNTNSA-N 2 1 329.532 3.839 20 10 EHCDMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000769147938 1133232199 /nfs/dbraw/zinc/23/21/99/1133232199.db2.gz IXVKCTWCJFCJCP-ICSRJNTNSA-N 2 1 329.532 3.839 20 10 EHCDMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000769147938 1133232203 /nfs/dbraw/zinc/23/22/03/1133232203.db2.gz IXVKCTWCJFCJCP-ICSRJNTNSA-N 2 1 329.532 3.839 20 10 EHCDMP Oc1ccccc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000770506215 1133436073 /nfs/dbraw/zinc/43/60/73/1133436073.db2.gz ZEZCULSJOMAONC-FPOVZHCZSA-N 2 1 336.479 3.879 20 10 EHCDMP Oc1ccccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000770506215 1133436076 /nfs/dbraw/zinc/43/60/76/1133436076.db2.gz ZEZCULSJOMAONC-FPOVZHCZSA-N 2 1 336.479 3.879 20 10 EHCDMP Oc1ccccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000770506215 1133436079 /nfs/dbraw/zinc/43/60/79/1133436079.db2.gz ZEZCULSJOMAONC-FPOVZHCZSA-N 2 1 336.479 3.879 20 10 EHCDMP C[NH+](C)CCCC1CC[NH+](Cc2c(O)ccc(Cl)c2F)CC1 ZINC000792170728 1134662737 /nfs/dbraw/zinc/66/27/37/1134662737.db2.gz WJAORMDSVKCBLX-UHFFFAOYSA-N 2 1 328.859 3.739 20 10 EHCDMP C[C@H]1c2ccsc2CC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775647450 1135390554 /nfs/dbraw/zinc/39/05/54/1135390554.db2.gz WEEVZRIMKLFFBX-INIZCTEOSA-N 2 1 341.524 3.619 20 10 EHCDMP Cc1cc(Cl)cc([C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)c1O ZINC000808715187 1135720368 /nfs/dbraw/zinc/72/03/68/1135720368.db2.gz BGCLDIKOHVHEFU-GJZGRUSLSA-N 2 1 340.895 3.506 20 10 EHCDMP Cc1cc(Cl)cc([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)c1O ZINC000808715187 1135720371 /nfs/dbraw/zinc/72/03/71/1135720371.db2.gz BGCLDIKOHVHEFU-GJZGRUSLSA-N 2 1 340.895 3.506 20 10 EHCDMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000809765508 1135888774 /nfs/dbraw/zinc/88/87/74/1135888774.db2.gz NHERAFWQBXMSTO-SUMWQHHRSA-N 2 1 343.437 3.543 20 10 EHCDMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000809765508 1135888777 /nfs/dbraw/zinc/88/87/77/1135888777.db2.gz NHERAFWQBXMSTO-SUMWQHHRSA-N 2 1 343.437 3.543 20 10 EHCDMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000809765508 1135888780 /nfs/dbraw/zinc/88/87/80/1135888780.db2.gz NHERAFWQBXMSTO-SUMWQHHRSA-N 2 1 343.437 3.543 20 10 EHCDMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000809765508 1135888784 /nfs/dbraw/zinc/88/87/84/1135888784.db2.gz NHERAFWQBXMSTO-SUMWQHHRSA-N 2 1 343.437 3.543 20 10 EHCDMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(C(F)(F)F)c1[O-] ZINC000815561151 1136610929 /nfs/dbraw/zinc/61/09/29/1136610929.db2.gz ZRNFZCLUXPUONW-XQQFMLRXSA-N 2 1 328.378 3.688 20 10 EHCDMP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1c(O)cccc1F ZINC000886496648 1138083891 /nfs/dbraw/zinc/08/38/91/1138083891.db2.gz BKNUYDDDNHQTRQ-OAHLLOKOSA-N 2 1 328.431 3.978 20 10 EHCDMP CCN(C)c1ccc(C[NH+]2CCC(c3[nH]c(C)c(C)[nH+]3)CC2)cc1 ZINC000886662996 1138110940 /nfs/dbraw/zinc/11/09/40/1138110940.db2.gz QXRZIMJSPDBYJC-UHFFFAOYSA-N 2 1 326.488 3.862 20 10 EHCDMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2c(O)ccc3ccc(OC)cc32)C1 ZINC000173450293 1033339104 /nfs/dbraw/zinc/33/91/04/1033339104.db2.gz VMRMJCAEKYCUEQ-INIZCTEOSA-N 2 1 342.483 3.718 20 10 EHCDMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2c(O)ccc3ccc(OC)cc32)C1 ZINC000173450293 1033339113 /nfs/dbraw/zinc/33/91/13/1033339113.db2.gz VMRMJCAEKYCUEQ-INIZCTEOSA-N 2 1 342.483 3.718 20 10 EHCDMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2c(O)ccc3ccc(OC)cc32)C1 ZINC000173450293 1033339124 /nfs/dbraw/zinc/33/91/24/1033339124.db2.gz VMRMJCAEKYCUEQ-INIZCTEOSA-N 2 1 342.483 3.718 20 10 EHCDMP COc1cccc(C[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)c1O ZINC000237223134 1039326697 /nfs/dbraw/zinc/32/66/97/1039326697.db2.gz UOQBATQJOHHMMZ-UHFFFAOYSA-N 2 1 328.456 3.531 20 10 EHCDMP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000764907467 1127548667 /nfs/dbraw/zinc/54/86/67/1127548667.db2.gz HGUYFFZUZODMNO-LJQANCHMSA-N 2 1 347.547 3.686 20 10 EHCDMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cc2c(cc1O)CCCC2 ZINC000762075221 1121092410 /nfs/dbraw/zinc/09/24/10/1121092410.db2.gz IVCLMWCALUPKLL-UHFFFAOYSA-N 2 1 341.499 3.942 20 10 EHCDMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cc2c(cc1O)CCCC2 ZINC000762075221 1121092417 /nfs/dbraw/zinc/09/24/17/1121092417.db2.gz IVCLMWCALUPKLL-UHFFFAOYSA-N 2 1 341.499 3.942 20 10 EHCDMP Cc1cc(O)c(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1C(C)C ZINC000746644659 1133960712 /nfs/dbraw/zinc/96/07/12/1133960712.db2.gz BPFMFEYGMXKPMJ-FBBABVLZSA-N 2 1 346.515 3.508 20 10 EHCDMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(N(C)C)cc2C(F)(F)F)CC[N@@H+]1C ZINC000792829676 1134798007 /nfs/dbraw/zinc/79/80/07/1134798007.db2.gz RAQLGFODZQMNKP-BBRMVZONSA-N 2 1 343.437 3.686 20 10 EHCDMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(N(C)C)cc2C(F)(F)F)CC[N@H+]1C ZINC000792829676 1134798009 /nfs/dbraw/zinc/79/80/09/1134798009.db2.gz RAQLGFODZQMNKP-BBRMVZONSA-N 2 1 343.437 3.686 20 10 EHCDMP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(N(C)C)cc2C(F)(F)F)CC[NH+]1C ZINC000792829676 1134798013 /nfs/dbraw/zinc/79/80/13/1134798013.db2.gz RAQLGFODZQMNKP-BBRMVZONSA-N 2 1 343.437 3.686 20 10 EHCDMP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(N(C)C)cc2C(F)(F)F)CC[NH+]1C ZINC000792829676 1134798020 /nfs/dbraw/zinc/79/80/20/1134798020.db2.gz RAQLGFODZQMNKP-BBRMVZONSA-N 2 1 343.437 3.686 20 10 EHCDMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000792938913 1134820948 /nfs/dbraw/zinc/82/09/48/1134820948.db2.gz GXJPZINQWVUCJJ-AWEZNQCLSA-N 2 1 343.437 3.593 20 10 EHCDMP C[C@@H](c1ccc(F)cc1)[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775645087 1135392922 /nfs/dbraw/zinc/39/29/22/1135392922.db2.gz VNOGKDLAVYZUSQ-KRWDZBQOSA-N 2 1 341.474 3.771 20 10 EHCDMP CCS[C@H]1CCCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775698708 1135532423 /nfs/dbraw/zinc/53/24/23/1135532423.db2.gz WGGWBNUFTKYYGS-FQEVSTJZSA-N 2 1 347.572 3.546 20 10 EHCDMP COc1ccc(O)c(C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)c1 ZINC000775734454 1135588951 /nfs/dbraw/zinc/58/89/51/1135588951.db2.gz QFJWGHUTRZAGOI-QGZVFWFLSA-N 2 1 346.515 3.877 20 10 EHCDMP Cc1cc(Cl)cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1O ZINC000775740354 1135598698 /nfs/dbraw/zinc/59/86/98/1135598698.db2.gz VGXGBWKSPJOHQP-RDTXWAMCSA-N 2 1 334.891 3.803 20 10 EHCDMP COc1cccc([C@H](C)[NH2+]CC[C@@H](C)[N@@H+](C)Cc2ccccc2)c1O ZINC000846144596 1137338967 /nfs/dbraw/zinc/33/89/67/1137338967.db2.gz IAXZTHGPZILSFL-SJORKVTESA-N 2 1 342.483 3.962 20 10 EHCDMP C[C@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(C(F)(F)F)c1O ZINC000873262408 1137595636 /nfs/dbraw/zinc/59/56/36/1137595636.db2.gz YZEIFSWURSKWLC-RVMXOQNASA-N 2 1 328.378 3.592 20 10 EHCDMP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)c1c(F)cccc1F ZINC000883288800 1137852844 /nfs/dbraw/zinc/85/28/44/1137852844.db2.gz RSUVVGMKJAQUFO-OAHLLOKOSA-N 2 1 345.437 3.567 20 10 EHCDMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccc(N(C)C)cc2)c1 ZINC000067450058 1024555709 /nfs/dbraw/zinc/55/57/09/1024555709.db2.gz UPGKSXXMDHRFIL-UHFFFAOYSA-N 2 1 325.500 3.883 20 10 EHCDMP CCOc1ccc(O)c(C[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)c1 ZINC000237052955 1039298007 /nfs/dbraw/zinc/29/80/07/1039298007.db2.gz KXVBDPANZAZQAE-UHFFFAOYSA-N 2 1 342.483 3.921 20 10 EHCDMP C[C@@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1ccc(N2CCCCC2)cc1 ZINC000278858495 1042597114 /nfs/dbraw/zinc/59/71/14/1042597114.db2.gz ATOSSGVMCPPQJF-QZTJIDSGSA-N 2 1 338.499 3.787 20 10 EHCDMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1cc(F)ccc1O ZINC000185337679 1126869095 /nfs/dbraw/zinc/86/90/95/1126869095.db2.gz RPESBYFSQGXUMI-SJLPKXTDSA-N 2 1 342.458 3.747 20 10 EHCDMP COc1cccc(C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)c1O ZINC000769541489 1133300266 /nfs/dbraw/zinc/30/02/66/1133300266.db2.gz BYSULVDVIRGRSD-KRWDZBQOSA-N 2 1 346.515 3.877 20 10 EHCDMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc(-c4ccccc4)ccc3O)CC[C@@H]21 ZINC000770353648 1133420336 /nfs/dbraw/zinc/42/03/36/1133420336.db2.gz SXPKVFCUSBGZQM-CTNGQTDRSA-N 2 1 336.479 3.975 20 10 EHCDMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc(-c4ccccc4)ccc3O)CC[C@@H]21 ZINC000770353648 1133420339 /nfs/dbraw/zinc/42/03/39/1133420339.db2.gz SXPKVFCUSBGZQM-CTNGQTDRSA-N 2 1 336.479 3.975 20 10 EHCDMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc(-c4ccccc4)ccc3O)CC[C@@H]21 ZINC000770353648 1133420345 /nfs/dbraw/zinc/42/03/45/1133420345.db2.gz SXPKVFCUSBGZQM-CTNGQTDRSA-N 2 1 336.479 3.975 20 10 EHCDMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(N(C)C)cc2C(F)(F)F)CC[N@@H+]1C ZINC000792829680 1134797810 /nfs/dbraw/zinc/79/78/10/1134797810.db2.gz RAQLGFODZQMNKP-CJNGLKHVSA-N 2 1 343.437 3.686 20 10 EHCDMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(N(C)C)cc2C(F)(F)F)CC[N@H+]1C ZINC000792829680 1134797816 /nfs/dbraw/zinc/79/78/16/1134797816.db2.gz RAQLGFODZQMNKP-CJNGLKHVSA-N 2 1 343.437 3.686 20 10 EHCDMP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(N(C)C)cc2C(F)(F)F)CC[NH+]1C ZINC000792829680 1134797824 /nfs/dbraw/zinc/79/78/24/1134797824.db2.gz RAQLGFODZQMNKP-CJNGLKHVSA-N 2 1 343.437 3.686 20 10 EHCDMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(N(C)C)cc2C(F)(F)F)CC[NH+]1C ZINC000792829680 1134797830 /nfs/dbraw/zinc/79/78/30/1134797830.db2.gz RAQLGFODZQMNKP-CJNGLKHVSA-N 2 1 343.437 3.686 20 10 EHCDMP CC[NH+]1CCC(C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2O)CC1 ZINC000815576560 1136618316 /nfs/dbraw/zinc/61/83/16/1136618316.db2.gz STBMWRQRNKMRDN-GFCCVEGCSA-N 2 1 330.394 3.794 20 10 EHCDMP COc1cccc(C[N@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)c1O ZINC000873232251 1137594422 /nfs/dbraw/zinc/59/44/22/1137594422.db2.gz NSYOMCCGLUCDRL-QAPCUYQASA-N 2 1 332.488 3.520 20 10 EHCDMP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc2ccccc2c1O ZINC000278629007 1031722358 /nfs/dbraw/zinc/72/23/58/1031722358.db2.gz RWTXBPYVCAXMLT-IRXDYDNUSA-N 2 1 342.483 3.697 20 10 EHCDMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc2ccccc2c1O ZINC000278629007 1031722367 /nfs/dbraw/zinc/72/23/67/1031722367.db2.gz RWTXBPYVCAXMLT-IRXDYDNUSA-N 2 1 342.483 3.697 20 10 EHCDMP Cc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)ccc1N1CCCCC1 ZINC000827972825 1031915249 /nfs/dbraw/zinc/91/52/49/1031915249.db2.gz COCXHWWVIYZVJF-UYAOXDASSA-N 2 1 329.532 3.900 20 10 EHCDMP Cc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)ccc1N1CCCCC1 ZINC000827972825 1031915256 /nfs/dbraw/zinc/91/52/56/1031915256.db2.gz COCXHWWVIYZVJF-UYAOXDASSA-N 2 1 329.532 3.900 20 10 EHCDMP Cc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)ccc1N1CCCCC1 ZINC000827972825 1031915265 /nfs/dbraw/zinc/91/52/65/1031915265.db2.gz COCXHWWVIYZVJF-UYAOXDASSA-N 2 1 329.532 3.900 20 10 EHCDMP Cc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)ccc1N1CCCCC1 ZINC000827972825 1031915273 /nfs/dbraw/zinc/91/52/73/1031915273.db2.gz COCXHWWVIYZVJF-UYAOXDASSA-N 2 1 329.532 3.900 20 10 EHCDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000237403651 1039358387 /nfs/dbraw/zinc/35/83/87/1039358387.db2.gz GWUOXFNCEIBOGK-KRWDZBQOSA-N 2 1 326.488 3.608 20 10 EHCDMP CCN(CC)c1ccc(C[N@H+](C)CCCCn2cc[nH+]c2C)cc1 ZINC000767361557 1132989678 /nfs/dbraw/zinc/98/96/78/1132989678.db2.gz OVTNLQUWQZPRME-UHFFFAOYSA-N 2 1 328.504 3.950 20 10 EHCDMP CCN(CC)c1ccc(C[N@@H+](C)CCCCn2cc[nH+]c2C)cc1 ZINC000767361557 1132989684 /nfs/dbraw/zinc/98/96/84/1132989684.db2.gz OVTNLQUWQZPRME-UHFFFAOYSA-N 2 1 328.504 3.950 20 10 EHCDMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(N3CCCC3)cc2)C1 ZINC001178249310 1133145271 /nfs/dbraw/zinc/14/52/71/1133145271.db2.gz MHLLCRGTKPBRAN-HXUWFJFHSA-N 2 1 329.532 3.744 20 10 EHCDMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2ccc(N(C)C)cc2)C1 ZINC000769147936 1133233134 /nfs/dbraw/zinc/23/31/34/1133233134.db2.gz IXVKCTWCJFCJCP-AZUAARDMSA-N 2 1 329.532 3.839 20 10 EHCDMP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccc(N(C)C)cc2)C1 ZINC000769147936 1133233141 /nfs/dbraw/zinc/23/31/41/1133233141.db2.gz IXVKCTWCJFCJCP-AZUAARDMSA-N 2 1 329.532 3.839 20 10 EHCDMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccc(N(C)C)cc2)C1 ZINC000769147936 1133233148 /nfs/dbraw/zinc/23/31/48/1133233148.db2.gz IXVKCTWCJFCJCP-AZUAARDMSA-N 2 1 329.532 3.839 20 10 EHCDMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000769147936 1133233155 /nfs/dbraw/zinc/23/31/55/1133233155.db2.gz IXVKCTWCJFCJCP-AZUAARDMSA-N 2 1 329.532 3.839 20 10 EHCDMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000769147936 1133233161 /nfs/dbraw/zinc/23/31/61/1133233161.db2.gz IXVKCTWCJFCJCP-AZUAARDMSA-N 2 1 329.532 3.839 20 10 EHCDMP CCOc1cccc(C[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1O ZINC000769149210 1133234894 /nfs/dbraw/zinc/23/48/94/1133234894.db2.gz YYUZDEZTAPJPTL-GOSISDBHSA-N 2 1 346.515 3.735 20 10 EHCDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@@H]1CCc2ccccc21 ZINC000775648242 1135397505 /nfs/dbraw/zinc/39/75/05/1135397505.db2.gz RILSBCIVJAGOEE-JOCHJYFZSA-N 2 1 335.495 3.558 20 10 EHCDMP CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000853239245 1136521006 /nfs/dbraw/zinc/52/10/06/1136521006.db2.gz CVASQHFETAXGTJ-HKUYNNGSSA-N 2 1 329.532 3.915 20 10 EHCDMP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(N(C)C)cc1 ZINC000853241076 1136521541 /nfs/dbraw/zinc/52/15/41/1136521541.db2.gz UGJWCAGMNXFNAI-NQIIRXRSSA-N 2 1 329.532 3.915 20 10 EHCDMP CC1(C)C[C@H]([NH2+]Cc2ccc(O)c(O)c2)CC[N@@H+]1Cc1ccccc1 ZINC001171982676 1137526535 /nfs/dbraw/zinc/52/65/35/1137526535.db2.gz JOVHMRMSPWZVPE-GOSISDBHSA-N 2 1 340.467 3.631 20 10 EHCDMP CC1(C)C[C@H]([NH2+]Cc2ccc(O)c(O)c2)CC[N@H+]1Cc1ccccc1 ZINC001171982676 1137526537 /nfs/dbraw/zinc/52/65/37/1137526537.db2.gz JOVHMRMSPWZVPE-GOSISDBHSA-N 2 1 340.467 3.631 20 10 EHCDMP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1ccc(F)cc1O ZINC000184933447 1140126399 /nfs/dbraw/zinc/12/63/99/1140126399.db2.gz ZWAVPHZNPFKAGG-OAHLLOKOSA-N 2 1 328.431 3.978 20 10 EHCDMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000269690421 1141136603 /nfs/dbraw/zinc/13/66/03/1141136603.db2.gz HWHALYXOVDRHPE-UHFFFAOYSA-N 2 1 326.488 3.704 20 10 EHCDMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000269690421 1141136605 /nfs/dbraw/zinc/13/66/05/1141136605.db2.gz HWHALYXOVDRHPE-UHFFFAOYSA-N 2 1 326.488 3.704 20 10 EHCDMP C[N@H+]1CCCC2(CC[NH+](Cc3ccc(N4CCCC4)cc3)CC2)C1 ZINC001279231880 1025471404 /nfs/dbraw/zinc/47/14/04/1025471404.db2.gz XEOMKOGZOYGUIL-UHFFFAOYSA-N 2 1 327.516 3.595 20 10 EHCDMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)CC[N@H+]1Cc1ccccc1 ZINC000080338646 1041159207 /nfs/dbraw/zinc/15/92/07/1041159207.db2.gz YHSDSXOQNBFBAS-UTKZUKDTSA-N 2 1 336.479 3.764 20 10 EHCDMP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(C)n1-c1cccc(C)c1 ZINC000742375603 1131717871 /nfs/dbraw/zinc/71/78/71/1131717871.db2.gz SKQGXRDCGBLZKN-OXJNMPFZSA-N 2 1 325.500 3.975 20 10 EHCDMP Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169124021 1132665543 /nfs/dbraw/zinc/66/55/43/1132665543.db2.gz PJOJUOCAVOWUQZ-UIVXKWKOSA-N 2 1 328.500 3.847 20 10 EHCDMP CCN(CC)c1ccc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)cc1F ZINC000768231844 1133115034 /nfs/dbraw/zinc/11/50/34/1133115034.db2.gz ZXSUWCRVIHAVJH-UHFFFAOYSA-N 2 1 335.511 3.977 20 10 EHCDMP Cc1cc(O)c(C[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cc1C ZINC000769148734 1133233722 /nfs/dbraw/zinc/23/37/22/1133233722.db2.gz QQGNSBUXJDIIPJ-IBGZPJMESA-N 2 1 330.516 3.953 20 10 EHCDMP C[N@H+](Cc1cc(Cl)ccc1O)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000769402608 1133278437 /nfs/dbraw/zinc/27/84/37/1133278437.db2.gz MXFWBSRBQIHFIN-KRWDZBQOSA-N 2 1 344.886 4.000 20 10 EHCDMP C[NH+](Cc1cc(Cl)ccc1O)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000769402608 1133278443 /nfs/dbraw/zinc/27/84/43/1133278443.db2.gz MXFWBSRBQIHFIN-KRWDZBQOSA-N 2 1 344.886 4.000 20 10 EHCDMP C[NH+](Cc1cc(Cl)ccc1O)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000769402608 1133278448 /nfs/dbraw/zinc/27/84/48/1133278448.db2.gz MXFWBSRBQIHFIN-KRWDZBQOSA-N 2 1 344.886 4.000 20 10 EHCDMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]Cc2ccc4c(c2)CCO4)C3)cc1 ZINC000774163575 1133626585 /nfs/dbraw/zinc/62/65/85/1133626585.db2.gz RZLHKKJBVPVLOL-DKUWSORSSA-N 2 1 348.490 3.907 20 10 EHCDMP Cc1ccc([C@H](C)[N@@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC000775650007 1135417095 /nfs/dbraw/zinc/41/70/95/1135417095.db2.gz WOHQWYSRXPEYFI-IBGZPJMESA-N 2 1 337.511 3.940 20 10 EHCDMP C[C@@H](CC[NH2+]Cc1ccc(N(C)C)c(F)c1)[N@@H+](C)Cc1ccccc1 ZINC001200940982 1135971244 /nfs/dbraw/zinc/97/12/44/1135971244.db2.gz BQTYIMONFOKYJP-KRWDZBQOSA-N 2 1 343.490 3.892 20 10 EHCDMP Oc1c(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)ccc2ccccc21 ZINC000816521253 1136727019 /nfs/dbraw/zinc/72/70/19/1136727019.db2.gz KRMPHLQOUIKEAU-DYESRHJHSA-N 2 1 336.479 3.994 20 10 EHCDMP Nc1ccc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)cc1 ZINC000817957344 1136851730 /nfs/dbraw/zinc/85/17/30/1136851730.db2.gz LCKRVBOPWMMDMS-YTFSRNRJSA-N 2 1 349.522 3.844 20 10 EHCDMP C[C@@H]1CC2(C[N@H+]1Cc1ccc(N3CCCCC3)cc1)CC[NH2+]CC2 ZINC000818430967 1136874307 /nfs/dbraw/zinc/87/43/07/1136874307.db2.gz CEHHGGJIAFVXBI-GOSISDBHSA-N 2 1 327.516 3.641 20 10 EHCDMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)c1ccc(F)cc1O ZINC000184901255 1140125073 /nfs/dbraw/zinc/12/50/73/1140125073.db2.gz UWGDXCRTIIZKOE-OAHLLOKOSA-N 2 1 328.431 3.978 20 10 EHCDMP Oc1ccc2ccccc2c1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000157919033 1033163905 /nfs/dbraw/zinc/16/39/05/1033163905.db2.gz PDMATAAOMUJRTK-DYESRHJHSA-N 2 1 336.479 3.994 20 10 EHCDMP Oc1ccc2ccccc2c1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000157919033 1033163913 /nfs/dbraw/zinc/16/39/13/1033163913.db2.gz PDMATAAOMUJRTK-DYESRHJHSA-N 2 1 336.479 3.994 20 10 EHCDMP Oc1ccc2ccccc2c1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000157919033 1033163928 /nfs/dbraw/zinc/16/39/28/1033163928.db2.gz PDMATAAOMUJRTK-DYESRHJHSA-N 2 1 336.479 3.994 20 10 EHCDMP CCOc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c(O)c1 ZINC000769148609 1133233408 /nfs/dbraw/zinc/23/34/08/1133233408.db2.gz OVACNUMFXCVMIQ-SFHVURJKSA-N 2 1 346.515 3.735 20 10 EHCDMP CCOc1cccc(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)c1O ZINC000769149254 1133235227 /nfs/dbraw/zinc/23/52/27/1133235227.db2.gz ZMHCOJRQERLQSD-MSOLQXFVSA-N 2 1 346.515 3.877 20 10 EHCDMP CCOc1cccc(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)c1O ZINC000769149254 1133235232 /nfs/dbraw/zinc/23/52/32/1133235232.db2.gz ZMHCOJRQERLQSD-MSOLQXFVSA-N 2 1 346.515 3.877 20 10 EHCDMP CCOc1cccc(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)c1O ZINC000769149254 1133235238 /nfs/dbraw/zinc/23/52/38/1133235238.db2.gz ZMHCOJRQERLQSD-MSOLQXFVSA-N 2 1 346.515 3.877 20 10 EHCDMP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790947714 1134482941 /nfs/dbraw/zinc/48/29/41/1134482941.db2.gz AHMFJQSYHHGVEJ-CYBMUJFWSA-N 2 1 328.859 3.929 20 10 EHCDMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790947714 1134482943 /nfs/dbraw/zinc/48/29/43/1134482943.db2.gz AHMFJQSYHHGVEJ-CYBMUJFWSA-N 2 1 328.859 3.929 20 10 EHCDMP C[C@H](c1ccccc1F)[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775648226 1135396870 /nfs/dbraw/zinc/39/68/70/1135396870.db2.gz AXJOTKDJVXQLNV-QGZVFWFLSA-N 2 1 341.474 3.771 20 10 EHCDMP Cc1cc(Br)c(O)c(C[NH2+]C(C)(C)CCC[NH+](C)C)c1 ZINC000824913760 1137156394 /nfs/dbraw/zinc/15/63/94/1137156394.db2.gz DZKZAFHTZRSBLZ-UHFFFAOYSA-N 2 1 343.309 3.673 20 10 EHCDMP Cc1cc(C)c(O)c(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000794668557 1137222527 /nfs/dbraw/zinc/22/25/27/1137222527.db2.gz WHCONPSXYWPSHB-OYRHEFFESA-N 2 1 336.479 3.573 20 10 EHCDMP Cc1cc(C)c(O)c(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000794668557 1137222529 /nfs/dbraw/zinc/22/25/29/1137222529.db2.gz WHCONPSXYWPSHB-OYRHEFFESA-N 2 1 336.479 3.573 20 10 EHCDMP Cc1cc(C)c(O)c(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000794668557 1137222531 /nfs/dbraw/zinc/22/25/31/1137222531.db2.gz WHCONPSXYWPSHB-OYRHEFFESA-N 2 1 336.479 3.573 20 10 EHCDMP Cc1cccc(O)c1C[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000876988230 1137667074 /nfs/dbraw/zinc/66/70/74/1137667074.db2.gz DRPPHQZNBFEPNP-MRXNPFEDSA-N 2 1 330.497 3.764 20 10 EHCDMP Cc1cccc(O)c1C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000876988230 1137667075 /nfs/dbraw/zinc/66/70/75/1137667075.db2.gz DRPPHQZNBFEPNP-MRXNPFEDSA-N 2 1 330.497 3.764 20 10 EHCDMP CC[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccc(C(F)(F)F)cc1O ZINC000530218956 1025512590 /nfs/dbraw/zinc/51/25/90/1025512590.db2.gz XXQYJZCTWIOYMQ-UKRRQHHQSA-N 2 1 328.378 3.736 20 10 EHCDMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000746381788 1132505007 /nfs/dbraw/zinc/50/50/07/1132505007.db2.gz IHTMFNSVGBWMQD-MRXNPFEDSA-N 2 1 346.515 3.559 20 10 EHCDMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000746381788 1132505016 /nfs/dbraw/zinc/50/50/16/1132505016.db2.gz IHTMFNSVGBWMQD-MRXNPFEDSA-N 2 1 346.515 3.559 20 10 EHCDMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000746381788 1132505025 /nfs/dbraw/zinc/50/50/25/1132505025.db2.gz IHTMFNSVGBWMQD-MRXNPFEDSA-N 2 1 346.515 3.559 20 10 EHCDMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000746381788 1132505033 /nfs/dbraw/zinc/50/50/33/1132505033.db2.gz IHTMFNSVGBWMQD-MRXNPFEDSA-N 2 1 346.515 3.559 20 10 EHCDMP C[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1cccc(C(F)(F)F)c1O ZINC000788777604 1134174637 /nfs/dbraw/zinc/17/46/37/1134174637.db2.gz UALZJIREDMCQFU-LBPRGKRZSA-N 2 1 342.405 3.936 20 10 EHCDMP C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775701884 1135538983 /nfs/dbraw/zinc/53/89/83/1135538983.db2.gz OHUVFLGSJSFSFS-LMNJBCLMSA-N 2 1 327.516 3.591 20 10 EHCDMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(C(F)(F)F)c1[O-] ZINC000815561152 1136610949 /nfs/dbraw/zinc/61/09/49/1136610949.db2.gz ZRNFZCLUXPUONW-YNEHKIRRSA-N 2 1 328.378 3.688 20 10 EHCDMP C[N@H+]1CCC[C@H](C[NH2+][C@H](CCc2ccccc2)c2ccccc2O)C1 ZINC000815578243 1136613797 /nfs/dbraw/zinc/61/37/97/1136613797.db2.gz KGBMLPNSHCLWFO-TZIWHRDSSA-N 2 1 338.495 3.998 20 10 EHCDMP CC1CCN(c2ccc(C[NH2+][C@@H]3CC[N@@H+](C)C(C)(C)C3)cc2)CC1 ZINC000858132282 1136942242 /nfs/dbraw/zinc/94/22/42/1136942242.db2.gz YSZXCRQYMBQAIF-LJQANCHMSA-N 2 1 329.532 3.885 20 10 EHCDMP Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c(O)c1 ZINC000877033243 1137668216 /nfs/dbraw/zinc/66/82/16/1137668216.db2.gz SIDPXRPSYVJJEH-SEJPIABJSA-N 2 1 336.479 3.986 20 10 EHCDMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000152384994 1139088739 /nfs/dbraw/zinc/08/87/39/1139088739.db2.gz YEIFFRBBNYANTO-SJORKVTESA-N 2 1 345.506 3.951 20 10 EHCDMP Oc1cc(F)c(F)cc1C[NH+]1CCC2(C[NH+](C3CCCC3)C2)CC1 ZINC001279106758 1016099484 /nfs/dbraw/zinc/09/94/84/1016099484.db2.gz DOSGVIJIPXWCBW-UHFFFAOYSA-N 2 1 336.426 3.511 20 10 EHCDMP C[C@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)cc2)CC[N@H+]1Cc1ccccc1 ZINC000379657799 1132241375 /nfs/dbraw/zinc/24/13/75/1132241375.db2.gz UMRBKAGKMSZGNO-GHTZIAJQSA-N 2 1 337.511 3.895 20 10 EHCDMP Oc1cc2c(cc1C[N@H+]1CC[C@@H](C[NH+]3CCCCC3)C1)CCCC2 ZINC000768465483 1133144452 /nfs/dbraw/zinc/14/44/52/1133144452.db2.gz HSYLHHVFXHOHSO-KRWDZBQOSA-N 2 1 328.500 3.579 20 10 EHCDMP Oc1cc2c(cc1C[N@H+]1CC[C@H]3[C@H](CCC[NH+]3C3CC3)C1)CCCC2 ZINC000768463432 1133144664 /nfs/dbraw/zinc/14/46/64/1133144664.db2.gz TUPBJRJHYRPUAZ-NQIIRXRSSA-N 2 1 340.511 3.720 20 10 EHCDMP Oc1cc2c(cc1C[NH+]1CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C1)CCCC2 ZINC000768463432 1133144666 /nfs/dbraw/zinc/14/46/66/1133144666.db2.gz TUPBJRJHYRPUAZ-NQIIRXRSSA-N 2 1 340.511 3.720 20 10 EHCDMP Oc1cc2c(cc1C[NH+]1CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C1)CCCC2 ZINC000768463432 1133144670 /nfs/dbraw/zinc/14/46/70/1133144670.db2.gz TUPBJRJHYRPUAZ-NQIIRXRSSA-N 2 1 340.511 3.720 20 10 EHCDMP CC[C@H]([NH2+]CCn1cc[nH+]c1C)c1ccc(C(F)(F)F)cc1O ZINC000810215545 1135938539 /nfs/dbraw/zinc/93/85/39/1135938539.db2.gz ZDDJDRYPIFNTBK-AWEZNQCLSA-N 2 1 327.350 3.657 20 10 EHCDMP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc(C(F)(F)F)cc1O ZINC000810216379 1135939185 /nfs/dbraw/zinc/93/91/85/1135939185.db2.gz IRBKMTQYKSUTFS-DOMZBBRYSA-N 2 1 330.394 3.794 20 10 EHCDMP c1cc(N2CCCCC2)ccc1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000853093129 1136508633 /nfs/dbraw/zinc/50/86/33/1136508633.db2.gz DCIFCCYJDNHUPY-NRFANRHFSA-N 2 1 341.543 3.889 20 10 EHCDMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(N(C)C)cc1 ZINC000853241075 1136521445 /nfs/dbraw/zinc/52/14/45/1136521445.db2.gz UGJWCAGMNXFNAI-GHTZIAJQSA-N 2 1 329.532 3.915 20 10 EHCDMP Cc1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)ccc1N(C)C ZINC000815074190 1136547172 /nfs/dbraw/zinc/54/71/72/1136547172.db2.gz LDUONBXRLRHGPX-WIYYLYMNSA-N 2 1 327.516 3.510 20 10 EHCDMP Cc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)ccc1N(C)C ZINC000815074190 1136547174 /nfs/dbraw/zinc/54/71/74/1136547174.db2.gz LDUONBXRLRHGPX-WIYYLYMNSA-N 2 1 327.516 3.510 20 10 EHCDMP Cc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)ccc1N(C)C ZINC000815074190 1136547175 /nfs/dbraw/zinc/54/71/75/1136547175.db2.gz LDUONBXRLRHGPX-WIYYLYMNSA-N 2 1 327.516 3.510 20 10 EHCDMP C[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1cc2c(cc1O)CCCC2 ZINC000794833486 1137272849 /nfs/dbraw/zinc/27/28/49/1137272849.db2.gz FFNYCHRLQCPAGU-MNNVXMFVSA-N 2 1 328.500 3.939 20 10 EHCDMP Cc1cc(C)c(O)c(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)c1 ZINC000773335881 1137499513 /nfs/dbraw/zinc/49/95/13/1137499513.db2.gz QSQPZXIPGVATSC-UHFFFAOYSA-N 2 1 326.440 3.756 20 10 EHCDMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(N2CCCCC2)cc1 ZINC000119715294 1137944024 /nfs/dbraw/zinc/94/40/24/1137944024.db2.gz ADIKPJMVFQHKEJ-KRWDZBQOSA-N 2 1 327.516 3.954 20 10 EHCDMP C[C@@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)c1c(O)cccc1F ZINC000886522273 1138089134 /nfs/dbraw/zinc/08/91/34/1138089134.db2.gz GGAOYVDLJXTLHN-OAHLLOKOSA-N 2 1 346.446 3.713 20 10 EHCDMP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1ccc(F)cc1O ZINC000184933424 1140126350 /nfs/dbraw/zinc/12/63/50/1140126350.db2.gz ZWAVPHZNPFKAGG-HNNXBMFYSA-N 2 1 328.431 3.978 20 10 EHCDMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc(Br)ccc2O)C1 ZINC000185112007 1140136301 /nfs/dbraw/zinc/13/63/01/1140136301.db2.gz YMVFLQLOYRAMHF-QWHCGFSZSA-N 2 1 341.293 3.537 20 10 EHCDMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)c1cc(F)ccc1O ZINC000359874309 201114222 /nfs/dbraw/zinc/11/42/22/201114222.db2.gz RFPFCDWPSHWPCC-DKICVRJWSA-N 2 1 328.431 3.875 20 10 EHCDMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2ccc(C)c(C)c2O)cn1 ZINC000273421968 1027420292 /nfs/dbraw/zinc/42/02/92/1027420292.db2.gz SIBRLONACYZKQA-HNNXBMFYSA-N 2 1 336.439 3.749 20 10 EHCDMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc2ccccc2c1O ZINC000278629005 1031723047 /nfs/dbraw/zinc/72/30/47/1031723047.db2.gz RWTXBPYVCAXMLT-IAGOWNOFSA-N 2 1 342.483 3.697 20 10 EHCDMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc2ccccc2c1O ZINC000278629005 1031723056 /nfs/dbraw/zinc/72/30/56/1031723056.db2.gz RWTXBPYVCAXMLT-IAGOWNOFSA-N 2 1 342.483 3.697 20 10 EHCDMP CC[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000765406923 1127608565 /nfs/dbraw/zinc/60/85/65/1127608565.db2.gz WRDZNPKNNGGVKH-LVCYWYKZSA-N 2 1 347.547 3.683 20 10 EHCDMP CCN(CC)c1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000769515381 1133307056 /nfs/dbraw/zinc/30/70/56/1133307056.db2.gz PQFDWGIWGVYTKU-FQEVSTJZSA-N 2 1 329.532 3.697 20 10 EHCDMP CCN(CC)c1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1 ZINC000769515381 1133307060 /nfs/dbraw/zinc/30/70/60/1133307060.db2.gz PQFDWGIWGVYTKU-FQEVSTJZSA-N 2 1 329.532 3.697 20 10 EHCDMP CCN(CC)c1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1F ZINC000770351764 1133420282 /nfs/dbraw/zinc/42/02/82/1133420282.db2.gz KUTRXEMFLISYBD-HKUYNNGSSA-N 2 1 333.495 3.588 20 10 EHCDMP CCN(CC)c1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1F ZINC000770351764 1133420288 /nfs/dbraw/zinc/42/02/88/1133420288.db2.gz KUTRXEMFLISYBD-HKUYNNGSSA-N 2 1 333.495 3.588 20 10 EHCDMP CCN(CC)c1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1F ZINC000770351764 1133420290 /nfs/dbraw/zinc/42/02/90/1133420290.db2.gz KUTRXEMFLISYBD-HKUYNNGSSA-N 2 1 333.495 3.588 20 10 EHCDMP CCN(CC)c1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1F ZINC000770351764 1133420293 /nfs/dbraw/zinc/42/02/93/1133420293.db2.gz KUTRXEMFLISYBD-HKUYNNGSSA-N 2 1 333.495 3.588 20 10 EHCDMP C[C@@H](C[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC000775679275 1135503732 /nfs/dbraw/zinc/50/37/32/1135503732.db2.gz UEHUCFJRLQQJPF-IBGZPJMESA-N 2 1 337.511 3.674 20 10 EHCDMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](CCc2ccccc2)c2ccccc2O)C1 ZINC000815561071 1136610802 /nfs/dbraw/zinc/61/08/02/1136610802.db2.gz XODFKVDHHCRYRE-FPOVZHCZSA-N 2 1 338.495 3.998 20 10 EHCDMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](CCc2ccccc2)c2ccccc2O)C1 ZINC000815561072 1136610937 /nfs/dbraw/zinc/61/09/37/1136610937.db2.gz XODFKVDHHCRYRE-PZJWPPBQSA-N 2 1 338.495 3.998 20 10 EHCDMP C[C@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1cccc(C(F)(F)F)c1O ZINC000817976463 1136854582 /nfs/dbraw/zinc/85/45/82/1136854582.db2.gz ZBFNUGLPBHTLPH-AVGNSLFASA-N 2 1 330.394 3.827 20 10 EHCDMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000794698626 1137235564 /nfs/dbraw/zinc/23/55/64/1137235564.db2.gz ICXQURAQWWEZSQ-AWEZNQCLSA-N 2 1 343.437 3.591 20 10 EHCDMP COc1cccc([C@@H](C)[NH2+]CC[C@H](C)[N@@H+](C)Cc2ccccc2)c1O ZINC000846144584 1137338898 /nfs/dbraw/zinc/33/88/98/1137338898.db2.gz IAXZTHGPZILSFL-DLBZAZTESA-N 2 1 342.483 3.962 20 10 EHCDMP COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000195133546 1032045254 /nfs/dbraw/zinc/04/52/54/1032045254.db2.gz ZFRAFUZPLGEOIB-FUHWJXTLSA-N 2 1 340.467 3.574 20 10 EHCDMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2c3c(ccc2O)oc2c3CCCC2)C1 ZINC000173491197 1033369282 /nfs/dbraw/zinc/36/92/82/1033369282.db2.gz JGTMJQOGRARIJU-HNNXBMFYSA-N 2 1 342.483 3.791 20 10 EHCDMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2c3c(ccc2O)oc2c3CCCC2)C1 ZINC000173491197 1033369295 /nfs/dbraw/zinc/36/92/95/1033369295.db2.gz JGTMJQOGRARIJU-HNNXBMFYSA-N 2 1 342.483 3.791 20 10 EHCDMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2c3c(ccc2O)oc2c3CCCC2)C1 ZINC000173491197 1033369305 /nfs/dbraw/zinc/36/93/05/1033369305.db2.gz JGTMJQOGRARIJU-HNNXBMFYSA-N 2 1 342.483 3.791 20 10 EHCDMP CCOc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c(O)c1 ZINC000769317600 1133260549 /nfs/dbraw/zinc/26/05/49/1133260549.db2.gz TVIDEUYKZMXATN-GOSISDBHSA-N 2 1 346.515 3.879 20 10 EHCDMP COc1cccc(O)c1C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000769544032 1133312167 /nfs/dbraw/zinc/31/21/67/1133312167.db2.gz RIKBMBRJMJCRMG-QGZVFWFLSA-N 2 1 346.515 3.877 20 10 EHCDMP Oc1ccc(Cl)c(F)c1C[NH2+]CCCCC[NH+]1CCCCC1 ZINC000790958870 1134485594 /nfs/dbraw/zinc/48/55/94/1134485594.db2.gz QFNGDTSIEOECJH-UHFFFAOYSA-N 2 1 328.859 3.931 20 10 EHCDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@H]1CCc2ccccc21 ZINC000775648247 1135396948 /nfs/dbraw/zinc/39/69/48/1135396948.db2.gz RILSBCIVJAGOEE-QFIPXVFZSA-N 2 1 335.495 3.558 20 10 EHCDMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc3c(c2)CCN3Cc2ccccc2)C1 ZINC000809576510 1135852737 /nfs/dbraw/zinc/85/27/37/1135852737.db2.gz BPBFYSJLDRWDGS-NRFANRHFSA-N 2 1 349.522 3.633 20 10 EHCDMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c2c1c(F)ccc2O ZINC000853240684 1136521564 /nfs/dbraw/zinc/52/15/64/1136521564.db2.gz RAKBXHMHOUQYKI-UNEWFSDZSA-N 2 1 332.463 3.791 20 10 EHCDMP Oc1c(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)ccc2ccccc21 ZINC000816521254 1136727096 /nfs/dbraw/zinc/72/70/96/1136727096.db2.gz KRMPHLQOUIKEAU-LAUBAEHRSA-N 2 1 336.479 3.994 20 10 EHCDMP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2cc(F)cc(F)c2O)cc1 ZINC000882881069 1137836645 /nfs/dbraw/zinc/83/66/45/1137836645.db2.gz WLLCYZQSZDWVLU-UHFFFAOYSA-N 2 1 334.410 3.802 20 10 EHCDMP C[C@H]1CC([NH2+]Cc2ccc(O)c(O)c2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168022560 1024211980 /nfs/dbraw/zinc/21/19/80/1024211980.db2.gz TYLDWQUICUTRSN-HOTGVXAUSA-N 2 1 340.467 3.629 20 10 EHCDMP CCC1([NH+]2CCCCC2)CC[NH+](Cc2cccc(OC)c2O)CC1 ZINC000895554210 1024608168 /nfs/dbraw/zinc/60/81/68/1024608168.db2.gz LVDROMDQHGDXSZ-UHFFFAOYSA-N 2 1 332.488 3.631 20 10 EHCDMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000746381787 1132504834 /nfs/dbraw/zinc/50/48/34/1132504834.db2.gz IHTMFNSVGBWMQD-INIZCTEOSA-N 2 1 346.515 3.559 20 10 EHCDMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000746381787 1132504840 /nfs/dbraw/zinc/50/48/40/1132504840.db2.gz IHTMFNSVGBWMQD-INIZCTEOSA-N 2 1 346.515 3.559 20 10 EHCDMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000746381787 1132504850 /nfs/dbraw/zinc/50/48/50/1132504850.db2.gz IHTMFNSVGBWMQD-INIZCTEOSA-N 2 1 346.515 3.559 20 10 EHCDMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000746381787 1132504855 /nfs/dbraw/zinc/50/48/55/1132504855.db2.gz IHTMFNSVGBWMQD-INIZCTEOSA-N 2 1 346.515 3.559 20 10 EHCDMP Cc1cc(O)c(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1C(C)C ZINC000746381421 1133514588 /nfs/dbraw/zinc/51/45/88/1133514588.db2.gz IGOLQDMCHFOGPO-GOSISDBHSA-N 2 1 330.516 3.988 20 10 EHCDMP Cc1cc(O)c(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)cc1C(C)C ZINC000746381421 1133514591 /nfs/dbraw/zinc/51/45/91/1133514591.db2.gz IGOLQDMCHFOGPO-GOSISDBHSA-N 2 1 330.516 3.988 20 10 EHCDMP Cc1cc(O)c(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc1C(C)C ZINC000746381421 1133514597 /nfs/dbraw/zinc/51/45/97/1133514597.db2.gz IGOLQDMCHFOGPO-GOSISDBHSA-N 2 1 330.516 3.988 20 10 EHCDMP Cc1ccc(F)c(C[N@@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000775169403 1134473368 /nfs/dbraw/zinc/47/33/68/1134473368.db2.gz XBQWIJVJRRSESA-UHFFFAOYSA-N 2 1 341.474 3.518 20 10 EHCDMP CN(C)c1ccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc1F ZINC000747100775 1134841296 /nfs/dbraw/zinc/84/12/96/1134841296.db2.gz SWENKVJJSJWMIQ-UHFFFAOYSA-N 2 1 333.495 3.778 20 10 EHCDMP CC(C)[N@@H+](Cc1cccs1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775650901 1135416017 /nfs/dbraw/zinc/41/60/17/1135416017.db2.gz HDJGNTKPTZUSNQ-UHFFFAOYSA-N 2 1 343.540 3.911 20 10 EHCDMP CCS[C@@H]1CC[C@@H]([N@@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775735560 1135592260 /nfs/dbraw/zinc/59/22/60/1135592260.db2.gz SDXDVFAUCBFESM-WOJBJXKFSA-N 2 1 347.572 3.544 20 10 EHCDMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccc(N3CCCCC3)cc2)C1 ZINC000809767517 1135879921 /nfs/dbraw/zinc/87/99/21/1135879921.db2.gz NFYCSGRPFUIVSG-FPOVZHCZSA-N 2 1 327.516 3.593 20 10 EHCDMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccc(N3CCCCC3)cc2)C1 ZINC000809767517 1135879925 /nfs/dbraw/zinc/87/99/25/1135879925.db2.gz NFYCSGRPFUIVSG-FPOVZHCZSA-N 2 1 327.516 3.593 20 10 EHCDMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccc(N3CCCCC3)cc2)C1 ZINC000809767517 1135879929 /nfs/dbraw/zinc/87/99/29/1135879929.db2.gz NFYCSGRPFUIVSG-FPOVZHCZSA-N 2 1 327.516 3.593 20 10 EHCDMP CCOc1ccc(C[N@@H+](CC)Cc2ccc(C[NH+](C)C)cc2)c(O)c1 ZINC000809739381 1135883539 /nfs/dbraw/zinc/88/35/39/1135883539.db2.gz IWHVCTDLZJNTBC-UHFFFAOYSA-N 2 1 342.483 3.875 20 10 EHCDMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000809765397 1135888602 /nfs/dbraw/zinc/88/86/02/1135888602.db2.gz NHERAFWQBXMSTO-DYVFJYSZSA-N 2 1 343.437 3.543 20 10 EHCDMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000809765397 1135888607 /nfs/dbraw/zinc/88/86/07/1135888607.db2.gz NHERAFWQBXMSTO-DYVFJYSZSA-N 2 1 343.437 3.543 20 10 EHCDMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000809765397 1135888610 /nfs/dbraw/zinc/88/86/10/1135888610.db2.gz NHERAFWQBXMSTO-DYVFJYSZSA-N 2 1 343.437 3.543 20 10 EHCDMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000809765397 1135888614 /nfs/dbraw/zinc/88/86/14/1135888614.db2.gz NHERAFWQBXMSTO-DYVFJYSZSA-N 2 1 343.437 3.543 20 10 EHCDMP CCN(C)c1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000853239246 1136520987 /nfs/dbraw/zinc/52/09/87/1136520987.db2.gz CVASQHFETAXGTJ-IEBWSBKVSA-N 2 1 329.532 3.915 20 10 EHCDMP C[NH+](C)CCCC1CC[NH+](Cc2cc(Cl)c(F)cc2O)CC1 ZINC000816515518 1136730300 /nfs/dbraw/zinc/73/03/00/1136730300.db2.gz BUURANQGNDMNOL-UHFFFAOYSA-N 2 1 328.859 3.739 20 10 EHCDMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cc(Br)ccc1O ZINC000858490947 1136972724 /nfs/dbraw/zinc/97/27/24/1136972724.db2.gz SYZKACALRYLDEN-QWHCGFSZSA-N 2 1 341.293 3.537 20 10 EHCDMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cc(Br)ccc1O ZINC000858490945 1136972882 /nfs/dbraw/zinc/97/28/82/1136972882.db2.gz SYZKACALRYLDEN-CHWSQXEVSA-N 2 1 341.293 3.537 20 10 EHCDMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@H](CC)c2ccccc2O)[C@@H](C)C1 ZINC000155857610 1020074973 /nfs/dbraw/zinc/07/49/73/1020074973.db2.gz JHERGUYJBIHTRT-QXAKKESOSA-N 2 1 334.504 3.570 20 10 EHCDMP CN(C)c1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)cc1 ZINC001168003529 1024118510 /nfs/dbraw/zinc/11/85/10/1024118510.db2.gz OPLMYFFTXLKVDW-WCRBZPEASA-N 2 1 327.516 3.590 20 10 EHCDMP CC[N@@H+](Cc1ccc(N(C)C)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001168004206 1024173500 /nfs/dbraw/zinc/17/35/00/1024173500.db2.gz RPWZGGPGUZSWBQ-CBQGHPETSA-N 2 1 341.543 3.980 20 10 EHCDMP CC[NH+](Cc1ccc(N(C)C)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001168004206 1024173510 /nfs/dbraw/zinc/17/35/10/1024173510.db2.gz RPWZGGPGUZSWBQ-CBQGHPETSA-N 2 1 341.543 3.980 20 10 EHCDMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(N3CCCCC3)c(F)c2)C1 ZINC000163224290 1026900310 /nfs/dbraw/zinc/90/03/10/1026900310.db2.gz JKHZSAPHTQALSN-DLBZAZTESA-N 2 1 333.495 3.808 20 10 EHCDMP Cc1cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)ccc1N1CCCCC1 ZINC000827972824 1031914869 /nfs/dbraw/zinc/91/48/69/1031914869.db2.gz COCXHWWVIYZVJF-QUCCMNQESA-N 2 1 329.532 3.900 20 10 EHCDMP Cc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)ccc1N1CCCCC1 ZINC000827972824 1031914879 /nfs/dbraw/zinc/91/48/79/1031914879.db2.gz COCXHWWVIYZVJF-QUCCMNQESA-N 2 1 329.532 3.900 20 10 EHCDMP Cc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)ccc1N1CCCCC1 ZINC000827972824 1031914891 /nfs/dbraw/zinc/91/48/91/1031914891.db2.gz COCXHWWVIYZVJF-QUCCMNQESA-N 2 1 329.532 3.900 20 10 EHCDMP Cc1cc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)ccc1N1CCCCC1 ZINC000827972824 1031914905 /nfs/dbraw/zinc/91/49/05/1031914905.db2.gz COCXHWWVIYZVJF-QUCCMNQESA-N 2 1 329.532 3.900 20 10 EHCDMP Oc1ccc(Cl)c(F)c1C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000191547473 1036412135 /nfs/dbraw/zinc/41/21/35/1036412135.db2.gz DWVSEUMKVYSSMZ-UHFFFAOYSA-N 2 1 349.837 3.586 20 10 EHCDMP C[NH+](CCCCC[N@H+](C)Cc1ccccc1O)Cc1ccccc1O ZINC000172656734 1128773473 /nfs/dbraw/zinc/77/34/73/1128773473.db2.gz ZPMURPZSGLEUMA-UHFFFAOYSA-N 2 1 342.483 3.832 20 10 EHCDMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cc(OC)c(C)cc1O ZINC000768453453 1133141368 /nfs/dbraw/zinc/14/13/68/1133141368.db2.gz XNVVRYYHVPPJRO-UHFFFAOYSA-N 2 1 342.483 3.793 20 10 EHCDMP COc1cccc(O)c1C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000769544031 1133312084 /nfs/dbraw/zinc/31/20/84/1133312084.db2.gz RIKBMBRJMJCRMG-KRWDZBQOSA-N 2 1 346.515 3.877 20 10 EHCDMP Cc1cc(O)c(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1C(C)C ZINC000746381422 1133514895 /nfs/dbraw/zinc/51/48/95/1133514895.db2.gz IGOLQDMCHFOGPO-SFHVURJKSA-N 2 1 330.516 3.988 20 10 EHCDMP Cc1cc(O)c(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1C(C)C ZINC000746381422 1133514901 /nfs/dbraw/zinc/51/49/01/1133514901.db2.gz IGOLQDMCHFOGPO-SFHVURJKSA-N 2 1 330.516 3.988 20 10 EHCDMP Cc1cc(O)c(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc1C(C)C ZINC000746381422 1133514905 /nfs/dbraw/zinc/51/49/05/1133514905.db2.gz IGOLQDMCHFOGPO-SFHVURJKSA-N 2 1 330.516 3.988 20 10 EHCDMP Oc1ccc(F)cc1C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000809703732 1135875097 /nfs/dbraw/zinc/87/50/97/1135875097.db2.gz OZVFPCMHRGHNHR-NRFANRHFSA-N 2 1 340.442 3.629 20 10 EHCDMP Oc1ccc(F)cc1C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000809703732 1135875101 /nfs/dbraw/zinc/87/51/01/1135875101.db2.gz OZVFPCMHRGHNHR-NRFANRHFSA-N 2 1 340.442 3.629 20 10 EHCDMP Oc1ccc(F)cc1C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000809703732 1135875104 /nfs/dbraw/zinc/87/51/04/1135875104.db2.gz OZVFPCMHRGHNHR-NRFANRHFSA-N 2 1 340.442 3.629 20 10 EHCDMP Oc1ccc(F)cc1C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000809703732 1135875107 /nfs/dbraw/zinc/87/51/07/1135875107.db2.gz OZVFPCMHRGHNHR-NRFANRHFSA-N 2 1 340.442 3.629 20 10 EHCDMP CCN(CC)c1ccc(C[N@H+](C)CCCn2cc[nH+]c2C)cc1F ZINC000809753560 1135885515 /nfs/dbraw/zinc/88/55/15/1135885515.db2.gz WTDATZHVMDEZKU-UHFFFAOYSA-N 2 1 332.467 3.699 20 10 EHCDMP CCN(CC)c1ccc(C[N@@H+](C)CCCn2cc[nH+]c2C)cc1F ZINC000809753560 1135885518 /nfs/dbraw/zinc/88/55/18/1135885518.db2.gz WTDATZHVMDEZKU-UHFFFAOYSA-N 2 1 332.467 3.699 20 10 EHCDMP C[NH2+]Cc1ccccc1C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000844926400 1137263465 /nfs/dbraw/zinc/26/34/65/1137263465.db2.gz ZMIHBJVHROMZAN-LBPRGKRZSA-N 2 1 338.373 3.981 20 10 EHCDMP Cc1cccc(O)c1C[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000877054363 1137668892 /nfs/dbraw/zinc/66/88/92/1137668892.db2.gz HMZYCDQOXCSCOC-BEFAXECRSA-N 2 1 330.497 3.935 20 10 EHCDMP Cc1cccc(O)c1C[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000877054363 1137668893 /nfs/dbraw/zinc/66/88/93/1137668893.db2.gz HMZYCDQOXCSCOC-BEFAXECRSA-N 2 1 330.497 3.935 20 10 EHCDMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(Br)cc2O)C1 ZINC000185112675 1140136471 /nfs/dbraw/zinc/13/64/71/1140136471.db2.gz PDWLMVLGEMBVLT-STQMWFEESA-N 2 1 341.293 3.537 20 10 EHCDMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(Br)cc2O)C1 ZINC000185112675 1140136474 /nfs/dbraw/zinc/13/64/74/1140136474.db2.gz PDWLMVLGEMBVLT-STQMWFEESA-N 2 1 341.293 3.537 20 10 EHCDMP CN(C)c1ccc(C[N@@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)c2ccccc21 ZINC001279217813 1016980913 /nfs/dbraw/zinc/98/09/13/1016980913.db2.gz COXUWPMUBDFPCX-HDICACEKSA-N 2 1 337.511 3.679 20 10 EHCDMP CN(C)c1ccc(C[NH+]2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)c2ccccc21 ZINC001279217813 1016980926 /nfs/dbraw/zinc/98/09/26/1016980926.db2.gz COXUWPMUBDFPCX-HDICACEKSA-N 2 1 337.511 3.679 20 10 EHCDMP CN(C)c1ccc(C[NH+]2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)c2ccccc21 ZINC001279217813 1016980937 /nfs/dbraw/zinc/98/09/37/1016980937.db2.gz COXUWPMUBDFPCX-HDICACEKSA-N 2 1 337.511 3.679 20 10 EHCDMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1ccc(N(C)C)cc1 ZINC001167970958 1022385711 /nfs/dbraw/zinc/38/57/11/1022385711.db2.gz QRKBLWVIHOTMQT-SRBWVJFJSA-N 2 1 327.516 3.809 20 10 EHCDMP C[C@@]1(C[NH2+]Cc2cc(F)ccc2O)CC[N@@H+](Cc2ccccc2)C1 ZINC000379772889 1132518714 /nfs/dbraw/zinc/51/87/14/1132518714.db2.gz RXBVFVULUJZELO-FQEVSTJZSA-N 2 1 328.431 3.533 20 10 EHCDMP CCN(CC)c1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1F ZINC000770351779 1133419801 /nfs/dbraw/zinc/41/98/01/1133419801.db2.gz KUTRXEMFLISYBD-IEBWSBKVSA-N 2 1 333.495 3.588 20 10 EHCDMP CCN(CC)c1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1F ZINC000770351779 1133419803 /nfs/dbraw/zinc/41/98/03/1133419803.db2.gz KUTRXEMFLISYBD-IEBWSBKVSA-N 2 1 333.495 3.588 20 10 EHCDMP CCN(CC)c1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1F ZINC000770351779 1133419807 /nfs/dbraw/zinc/41/98/07/1133419807.db2.gz KUTRXEMFLISYBD-IEBWSBKVSA-N 2 1 333.495 3.588 20 10 EHCDMP CCN(CC)c1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1F ZINC000770351779 1133419810 /nfs/dbraw/zinc/41/98/10/1133419810.db2.gz KUTRXEMFLISYBD-IEBWSBKVSA-N 2 1 333.495 3.588 20 10 EHCDMP C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1cccc(C(F)(F)F)c1O ZINC000788732799 1134167714 /nfs/dbraw/zinc/16/77/14/1134167714.db2.gz GABNOTLAQGKVMQ-LBPRGKRZSA-N 2 1 330.394 3.794 20 10 EHCDMP CN(C)c1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1 ZINC001190827884 1134755480 /nfs/dbraw/zinc/75/54/80/1134755480.db2.gz QHGPMIJZFGMHTH-HXUWFJFHSA-N 2 1 329.532 3.841 20 10 EHCDMP COCCC[NH+]1CCC([NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)CC1 ZINC000808689805 1135711737 /nfs/dbraw/zinc/71/17/37/1135711737.db2.gz GTARHHRBYNRYEP-AWEZNQCLSA-N 2 1 340.895 3.506 20 10 EHCDMP CCN(CC)c1ccc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000809756804 1135887816 /nfs/dbraw/zinc/88/78/16/1135887816.db2.gz TYCJMGVQQJFBHU-HXUWFJFHSA-N 2 1 329.532 3.697 20 10 EHCDMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c2c1c(F)ccc2O ZINC000853240681 1136521538 /nfs/dbraw/zinc/52/15/38/1136521538.db2.gz RAKBXHMHOUQYKI-FRFSOERESA-N 2 1 332.463 3.791 20 10 EHCDMP Cc1cc(Cl)cc([C@H](C)[NH2+]CCC[NH2+]Cc2cccnc2)c1O ZINC000817940368 1136848071 /nfs/dbraw/zinc/84/80/71/1136848071.db2.gz MAFNIVLVRMVCMH-AWEZNQCLSA-N 2 1 333.863 3.580 20 10 EHCDMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cc(Br)ccc1O ZINC000858490948 1136973008 /nfs/dbraw/zinc/97/30/08/1136973008.db2.gz SYZKACALRYLDEN-STQMWFEESA-N 2 1 341.293 3.537 20 10 EHCDMP C[N@H+](Cc1ccc(N2CCCC2)cc1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172121487 1137538827 /nfs/dbraw/zinc/53/88/27/1137538827.db2.gz JWHDGKSDFBYRPD-AERCQKQUSA-N 2 1 327.516 3.734 20 10 EHCDMP C[N@@H+](Cc1ccc(N2CCCC2)cc1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172121487 1137538829 /nfs/dbraw/zinc/53/88/29/1137538829.db2.gz JWHDGKSDFBYRPD-AERCQKQUSA-N 2 1 327.516 3.734 20 10 EHCDMP C[NH+](Cc1ccc(N2CCCC2)cc1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172121487 1137538830 /nfs/dbraw/zinc/53/88/30/1137538830.db2.gz JWHDGKSDFBYRPD-AERCQKQUSA-N 2 1 327.516 3.734 20 10 EHCDMP C[NH+](Cc1ccc(N2CCCC2)cc1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172121487 1137538832 /nfs/dbraw/zinc/53/88/32/1137538832.db2.gz JWHDGKSDFBYRPD-AERCQKQUSA-N 2 1 327.516 3.734 20 10 EHCDMP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)c1cc(Br)ccc1O ZINC000037644083 522616092 /nfs/dbraw/zinc/61/60/92/522616092.db2.gz RHZLUOHKCQRDTP-WFASDCNBSA-N 2 1 341.293 3.537 20 10 EHCDMP COc1ccc(N2CCC([NH2+]CCC[N@H+]3CCCC[C@H]3C)CC2)cc1 ZINC000160267145 1015569142 /nfs/dbraw/zinc/56/91/42/1015569142.db2.gz UJNDNMYLBNVRMR-GOSISDBHSA-N 2 1 345.531 3.518 20 10 EHCDMP C[NH+]1CCN(c2ccc(CNc3cc(C(C)(C)C)cc[nH+]3)cc2)CC1 ZINC001167437630 1020181694 /nfs/dbraw/zinc/18/16/94/1020181694.db2.gz WLCXEQOZEHRCNS-UHFFFAOYSA-N 2 1 338.499 3.743 20 10 EHCDMP Cc1ccc(O)c(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000279388360 1044029669 /nfs/dbraw/zinc/02/96/69/1044029669.db2.gz JYWUUKOCQIZPDM-UHFFFAOYSA-N 2 1 325.456 3.613 20 10 EHCDMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(F)cc1O ZINC000185337408 1126868907 /nfs/dbraw/zinc/86/89/07/1126868907.db2.gz HEAUSTMKLIGOFU-AEFFLSMTSA-N 2 1 342.458 3.747 20 10 EHCDMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(F)cc1O ZINC000185337408 1126868911 /nfs/dbraw/zinc/86/89/11/1126868911.db2.gz HEAUSTMKLIGOFU-AEFFLSMTSA-N 2 1 342.458 3.747 20 10 EHCDMP Cc1cc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c(C)n1-c1ccccc1 ZINC000764716045 1127525540 /nfs/dbraw/zinc/52/55/40/1127525540.db2.gz GOMITFPOVOSDHR-OXQOHEQNSA-N 2 1 325.500 3.709 20 10 EHCDMP Cc1cc(O)c(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1C ZINC000793248151 1134889463 /nfs/dbraw/zinc/88/94/63/1134889463.db2.gz YJCLTUPHNSPMDA-OYRHEFFESA-N 2 1 336.479 3.573 20 10 EHCDMP Cc1cc(O)c(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cc1C ZINC000793248151 1134889468 /nfs/dbraw/zinc/88/94/68/1134889468.db2.gz YJCLTUPHNSPMDA-OYRHEFFESA-N 2 1 336.479 3.573 20 10 EHCDMP Cc1ccc(O)c(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC000809703503 1135874317 /nfs/dbraw/zinc/87/43/17/1135874317.db2.gz LDMSROCJULFMKC-JOCHJYFZSA-N 2 1 336.479 3.799 20 10 EHCDMP Cc1ccc(O)c(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000809703503 1135874321 /nfs/dbraw/zinc/87/43/21/1135874321.db2.gz LDMSROCJULFMKC-JOCHJYFZSA-N 2 1 336.479 3.799 20 10 EHCDMP Cc1ccc(O)c(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000809703503 1135874325 /nfs/dbraw/zinc/87/43/25/1135874325.db2.gz LDMSROCJULFMKC-JOCHJYFZSA-N 2 1 336.479 3.799 20 10 EHCDMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000809767460 1135879593 /nfs/dbraw/zinc/87/95/93/1135879593.db2.gz LNYZZSDUHYVQHM-PZJWPPBQSA-N 2 1 336.479 3.975 20 10 EHCDMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000809767460 1135879596 /nfs/dbraw/zinc/87/95/96/1135879596.db2.gz LNYZZSDUHYVQHM-PZJWPPBQSA-N 2 1 336.479 3.975 20 10 EHCDMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000809767460 1135879598 /nfs/dbraw/zinc/87/95/98/1135879598.db2.gz LNYZZSDUHYVQHM-PZJWPPBQSA-N 2 1 336.479 3.975 20 10 EHCDMP C[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1cc2c(cc1O)CCCC2 ZINC000794833487 1137272800 /nfs/dbraw/zinc/27/28/00/1137272800.db2.gz FFNYCHRLQCPAGU-VNCLNFNDSA-N 2 1 328.500 3.939 20 10 EHCDMP CCOc1cccc(C[NH+]2CCC(CC)([NH+]3CCCC3)CC2)c1O ZINC000877674155 1137685310 /nfs/dbraw/zinc/68/53/10/1137685310.db2.gz NGUCKZNKTWGINB-UHFFFAOYSA-N 2 1 332.488 3.631 20 10 EHCDMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000738107843 1027649531 /nfs/dbraw/zinc/64/95/31/1027649531.db2.gz ORQLGIBNZSJDNK-ZWKOTPCHSA-N 2 1 342.527 3.967 20 10 EHCDMP C[C@@H]([NH2+]CCC1CC[NH+](C)CC1)c1cccc(C(F)(F)F)c1O ZINC000798181894 1133085773 /nfs/dbraw/zinc/08/57/73/1133085773.db2.gz BREUIDFUKROYGB-GFCCVEGCSA-N 2 1 330.394 3.794 20 10 EHCDMP CC(C)CC1(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CCC1 ZINC001178175827 1133138792 /nfs/dbraw/zinc/13/87/92/1133138792.db2.gz AZJRIIGROYYGGK-UHFFFAOYSA-N 2 1 347.522 3.884 20 10 EHCDMP CN(Cc1cccs1)c1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000823840913 1137115874 /nfs/dbraw/zinc/11/58/74/1137115874.db2.gz DEZVGBVCXTVUGA-GOSISDBHSA-N 2 1 343.540 3.816 20 10 EHCDMP COc1cccc(C[N@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)c1O ZINC000873232252 1137594475 /nfs/dbraw/zinc/59/44/75/1137594475.db2.gz NSYOMCCGLUCDRL-YJBOKZPZSA-N 2 1 332.488 3.520 20 10 EHCDMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)c1ccc(F)cc1O ZINC000184901238 1140125157 /nfs/dbraw/zinc/12/51/57/1140125157.db2.gz UWGDXCRTIIZKOE-HNNXBMFYSA-N 2 1 328.431 3.978 20 10 EHCDMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](CC)c2ccccc2O)[C@@H](C)C1 ZINC000155857714 1020074654 /nfs/dbraw/zinc/07/46/54/1020074654.db2.gz JHERGUYJBIHTRT-WDSOQIARSA-N 2 1 334.504 3.570 20 10 EHCDMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000173431472 1033328012 /nfs/dbraw/zinc/32/80/12/1033328012.db2.gz STOASRODPGFINN-HNNXBMFYSA-N 2 1 334.504 3.559 20 10 EHCDMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000173431472 1033328024 /nfs/dbraw/zinc/32/80/24/1033328024.db2.gz STOASRODPGFINN-HNNXBMFYSA-N 2 1 334.504 3.559 20 10 EHCDMP C[C@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1ccc(N2CCCCC2)cc1 ZINC000278858507 1042596818 /nfs/dbraw/zinc/59/68/18/1042596818.db2.gz ATOSSGVMCPPQJF-ZWKOTPCHSA-N 2 1 338.499 3.787 20 10 EHCDMP Cc1cc(CC[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c(C)n1-c1ccccc1 ZINC000764716041 1127525569 /nfs/dbraw/zinc/52/55/69/1127525569.db2.gz GOMITFPOVOSDHR-JXFKEZNVSA-N 2 1 325.500 3.709 20 10 EHCDMP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)CC1 ZINC000769148590 1133234192 /nfs/dbraw/zinc/23/41/92/1133234192.db2.gz OOFMDTINTNFERG-INIZCTEOSA-N 2 1 336.907 3.990 20 10 EHCDMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)CC1 ZINC000769148590 1133234197 /nfs/dbraw/zinc/23/41/97/1133234197.db2.gz OOFMDTINTNFERG-INIZCTEOSA-N 2 1 336.907 3.990 20 10 EHCDMP Oc1c(F)cc(F)cc1C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC001180125429 1133334680 /nfs/dbraw/zinc/33/46/80/1133334680.db2.gz ZMAHAHAVECDWHH-UHFFFAOYSA-N 2 1 338.442 3.758 20 10 EHCDMP CC[N@@H+](CCC1CC[NH+](Cc2cc(OC)ccc2O)CC1)CC1CC1 ZINC000775759744 1135653853 /nfs/dbraw/zinc/65/38/53/1135653853.db2.gz HXXDLBOJYXMJIJ-UHFFFAOYSA-N 2 1 346.515 3.735 20 10 EHCDMP Oc1c(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)ccc2ccccc21 ZINC000816521255 1136726843 /nfs/dbraw/zinc/72/68/43/1136726843.db2.gz KRMPHLQOUIKEAU-UTKZUKDTSA-N 2 1 336.479 3.994 20 10 EHCDMP Cc1cc(Cl)cc([C@@H](C)[NH2+]CCC[NH2+]Cc2cccnc2)c1O ZINC000817940369 1136848235 /nfs/dbraw/zinc/84/82/35/1136848235.db2.gz MAFNIVLVRMVCMH-CQSZACIVSA-N 2 1 333.863 3.580 20 10 EHCDMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC001202521997 1137373966 /nfs/dbraw/zinc/37/39/66/1137373966.db2.gz YMTYGDSRHPHOOD-DUIUGDAFSA-N 2 1 329.532 3.866 20 10 EHCDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cc(Cl)c3cccnc3c1[O-])C2 ZINC001172104635 1137536478 /nfs/dbraw/zinc/53/64/78/1137536478.db2.gz DPFJAQOSPPXBKM-QKDCVEJESA-N 2 1 345.874 3.699 20 10 EHCDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cc(Cl)c3cccnc3c1O)C2 ZINC001172104635 1137536482 /nfs/dbraw/zinc/53/64/82/1137536482.db2.gz DPFJAQOSPPXBKM-QKDCVEJESA-N 2 1 345.874 3.699 20 10 EHCDMP CC[C@H](C)OCC[C@H](C)[NH2+]C1CC[NH+](Cc2ccccc2O)CC1 ZINC001172339552 1137552248 /nfs/dbraw/zinc/55/22/48/1137552248.db2.gz UYPHSWSVTRNGQD-IRXDYDNUSA-N 2 1 334.504 3.540 20 10 EHCDMP CCCOc1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1C ZINC000873050641 1137588889 /nfs/dbraw/zinc/58/88/89/1137588889.db2.gz ZAKUBQGEPSHPAO-HXUWFJFHSA-N 2 1 346.515 3.517 20 10 EHCDMP COc1cc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)c(O)c(C(C)(C)C)c1 ZINC000825699289 1137607425 /nfs/dbraw/zinc/60/74/25/1137607425.db2.gz SZTXSKWMWQQJSM-INIZCTEOSA-N 2 1 334.504 3.614 20 10 EHCDMP C[C@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)c1c(O)cccc1F ZINC000886522272 1138089196 /nfs/dbraw/zinc/08/91/96/1138089196.db2.gz GGAOYVDLJXTLHN-HNNXBMFYSA-N 2 1 346.446 3.713 20 10 EHCDMP CC[NH+]1CCC([N@H+](C)Cc2cc(OC)cc(C(C)(C)C)c2O)CC1 ZINC000887558431 1138426746 /nfs/dbraw/zinc/42/67/46/1138426746.db2.gz SJJFGKISZSGORE-UHFFFAOYSA-N 2 1 334.504 3.614 20 10 EHCDMP CC[NH+]1CCC([N@@H+](C)Cc2cc(OC)cc(C(C)(C)C)c2O)CC1 ZINC000887558431 1138426748 /nfs/dbraw/zinc/42/67/48/1138426748.db2.gz SJJFGKISZSGORE-UHFFFAOYSA-N 2 1 334.504 3.614 20 10 EHCDMP C[C@@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)c1ccc(F)cc1O ZINC000185336927 1140145676 /nfs/dbraw/zinc/14/56/76/1140145676.db2.gz JIVUVGNROGIAAA-OAHLLOKOSA-N 2 1 346.446 3.713 20 10 EHCDMP c1cc(N2CCCC2)ccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167964866 1021613541 /nfs/dbraw/zinc/61/35/41/1021613541.db2.gz ZARVZUPILOGAAR-XDNSSPFJSA-N 2 1 339.527 3.782 20 10 EHCDMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(N3CCCCC3)c(C)c2)C1 ZINC000827991788 1034390632 /nfs/dbraw/zinc/39/06/32/1034390632.db2.gz WOQXSTGWXCBLPB-FQEVSTJZSA-N 2 1 329.532 3.759 20 10 EHCDMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(N3CCCCC3)c(C)c2)C1 ZINC000827991788 1034390644 /nfs/dbraw/zinc/39/06/44/1034390644.db2.gz WOQXSTGWXCBLPB-FQEVSTJZSA-N 2 1 329.532 3.759 20 10 EHCDMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)c(C)c2)C1 ZINC000827991788 1034390656 /nfs/dbraw/zinc/39/06/56/1034390656.db2.gz WOQXSTGWXCBLPB-FQEVSTJZSA-N 2 1 329.532 3.759 20 10 EHCDMP C[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)CC[N@H+]1Cc1ccccc1 ZINC000080338650 1041149465 /nfs/dbraw/zinc/14/94/65/1041149465.db2.gz YHSDSXOQNBFBAS-UWJYYQICSA-N 2 1 336.479 3.764 20 10 EHCDMP CN(C)c1ccc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000278955199 1043081939 /nfs/dbraw/zinc/08/19/39/1043081939.db2.gz WFNTVNXHQHIXSD-UHFFFAOYSA-N 2 1 338.499 3.665 20 10 EHCDMP CCOc1cccc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c1O ZINC000769318320 1133260780 /nfs/dbraw/zinc/26/07/80/1133260780.db2.gz UUQCSALYLHIWHS-GOSISDBHSA-N 2 1 346.515 3.879 20 10 EHCDMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(N2CCCCCC2)cc1 ZINC000788257266 1134101903 /nfs/dbraw/zinc/10/19/03/1134101903.db2.gz LIPWVTLHRDUJNJ-QGZVFWFLSA-N 2 1 326.488 3.694 20 10 EHCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H]3c3cccs3)cc2)CC1 ZINC000775645491 1135389682 /nfs/dbraw/zinc/38/96/82/1135389682.db2.gz ALJHKGCVEACBSW-LJQANCHMSA-N 2 1 341.524 3.837 20 10 EHCDMP COCCC[NH+]1CCC([NH2+][C@H](C)c2cc(Cl)cc(C)c2O)CC1 ZINC000808689806 1135711598 /nfs/dbraw/zinc/71/15/98/1135711598.db2.gz GTARHHRBYNRYEP-CQSZACIVSA-N 2 1 340.895 3.506 20 10 EHCDMP COc1cc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)c(O)c(C(C)(C)C)c1 ZINC000850119371 1136212217 /nfs/dbraw/zinc/21/22/17/1136212217.db2.gz OEHFDYMZBHVWFJ-AWEZNQCLSA-N 2 1 345.487 3.629 20 10 EHCDMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816535180 1136730898 /nfs/dbraw/zinc/73/08/98/1136730898.db2.gz IOWKHENHDWDPLC-ZDUSSCGKSA-N 2 1 328.859 3.929 20 10 EHCDMP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(N4CCCCC4)cc3)C2)C1 ZINC000816642401 1136743448 /nfs/dbraw/zinc/74/34/48/1136743448.db2.gz YMDRXAOOFMICBZ-OAQYLSRUSA-N 2 1 327.516 3.595 20 10 EHCDMP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccc(N4CCCCC4)cc3)C2)C1 ZINC000816642401 1136743450 /nfs/dbraw/zinc/74/34/50/1136743450.db2.gz YMDRXAOOFMICBZ-OAQYLSRUSA-N 2 1 327.516 3.595 20 10 EHCDMP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccc(N4CCCCC4)cc3)C2)C1 ZINC000816642401 1136743452 /nfs/dbraw/zinc/74/34/52/1136743452.db2.gz YMDRXAOOFMICBZ-OAQYLSRUSA-N 2 1 327.516 3.595 20 10 EHCDMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(N(C)C)cc2)[C@H](C)C1 ZINC000122259762 1138256247 /nfs/dbraw/zinc/25/62/47/1138256247.db2.gz WWJSXRCRFGDMCE-LQWHRVPQSA-N 2 1 347.547 3.540 20 10 EHCDMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000268866639 1141012684 /nfs/dbraw/zinc/01/26/84/1141012684.db2.gz NYMGPPLSKULEOL-KRWDZBQOSA-N 2 1 326.488 3.923 20 10 EHCDMP CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)c1cc(Br)ccc1O ZINC000037644084 522855562 /nfs/dbraw/zinc/85/55/62/522855562.db2.gz RHZLUOHKCQRDTP-SWLSCSKDSA-N 2 1 341.293 3.537 20 10 EHCDMP C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311025294 1033228466 /nfs/dbraw/zinc/22/84/66/1033228466.db2.gz CAEJPLFBBKXWBC-GHTZIAJQSA-N 2 1 337.511 3.753 20 10 EHCDMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1cc(F)ccc1O ZINC000185337639 1126869088 /nfs/dbraw/zinc/86/90/88/1126869088.db2.gz RPESBYFSQGXUMI-AEFFLSMTSA-N 2 1 342.458 3.747 20 10 EHCDMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(N2CCCCC2)cc1 ZINC000764963296 1127559727 /nfs/dbraw/zinc/55/97/27/1127559727.db2.gz CKABODVOHMHAIL-IOMROCGXSA-N 2 1 327.516 3.954 20 10 EHCDMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(N2CCCCC2)cc1 ZINC000764963296 1127559729 /nfs/dbraw/zinc/55/97/29/1127559729.db2.gz CKABODVOHMHAIL-IOMROCGXSA-N 2 1 327.516 3.954 20 10 EHCDMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2ccc(N(C)C)c(F)c2)C1 ZINC000733324638 1131025321 /nfs/dbraw/zinc/02/53/21/1131025321.db2.gz PPSBBJVXXVGAOC-CALCHBBNSA-N 2 1 335.511 3.739 20 10 EHCDMP COc1ccc(O)c([C@@H](C)[NH2+]CC[C@@H](C)[N@@H+](C)Cc2ccccc2)c1 ZINC000379636044 1132177951 /nfs/dbraw/zinc/17/79/51/1132177951.db2.gz WXMJZNCBOXBMBP-IAGOWNOFSA-N 2 1 342.483 3.962 20 10 EHCDMP CC[NH+](CC)CCOCC[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC000774347157 1133668919 /nfs/dbraw/zinc/66/89/19/1133668919.db2.gz JRYNIZWIZVIVRS-LBPRGKRZSA-N 2 1 349.302 3.708 20 10 EHCDMP C[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1cccc(C(F)(F)F)c1O ZINC000788777602 1134175004 /nfs/dbraw/zinc/17/50/04/1134175004.db2.gz UALZJIREDMCQFU-GFCCVEGCSA-N 2 1 342.405 3.936 20 10 EHCDMP C[C@H]1c2ccccc2CC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775680471 1135504289 /nfs/dbraw/zinc/50/42/89/1135504289.db2.gz FUCMHWGPQVDXGV-SFHVURJKSA-N 2 1 335.495 3.558 20 10 EHCDMP COc1cc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c(O)c(C(C)(C)C)c1 ZINC000850323870 1136235088 /nfs/dbraw/zinc/23/50/88/1136235088.db2.gz HIHAWYWHNXBNIN-OAHLLOKOSA-N 2 1 334.504 3.520 20 10 EHCDMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816535366 1136730817 /nfs/dbraw/zinc/73/08/17/1136730817.db2.gz MWQROYSNCLXFEM-ZDUSSCGKSA-N 2 1 328.859 3.786 20 10 EHCDMP Nc1ccc(CC[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000817957984 1136852265 /nfs/dbraw/zinc/85/22/65/1136852265.db2.gz RTRHUFPJEVXNMH-MDNUFGMLSA-N 2 1 349.522 3.702 20 10 EHCDMP COc1cc(C[N@@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000824863441 1137155237 /nfs/dbraw/zinc/15/52/37/1137155237.db2.gz QPVKFEQHFZSSOC-GOEBONIOSA-N 2 1 334.504 3.613 20 10 EHCDMP COc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000824863441 1137155238 /nfs/dbraw/zinc/15/52/38/1137155238.db2.gz QPVKFEQHFZSSOC-GOEBONIOSA-N 2 1 334.504 3.613 20 10 EHCDMP COc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000824863441 1137155240 /nfs/dbraw/zinc/15/52/40/1137155240.db2.gz QPVKFEQHFZSSOC-GOEBONIOSA-N 2 1 334.504 3.613 20 10 EHCDMP COc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000824863441 1137155241 /nfs/dbraw/zinc/15/52/41/1137155241.db2.gz QPVKFEQHFZSSOC-GOEBONIOSA-N 2 1 334.504 3.613 20 10 EHCDMP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1cccc(C(F)(F)F)c1O ZINC000844926204 1137263381 /nfs/dbraw/zinc/26/33/81/1137263381.db2.gz XTOCHGGTPYLTTO-JTQLQIEISA-N 2 1 342.336 3.860 20 10 EHCDMP Cc1cccc(O)c1C[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000877054370 1137668804 /nfs/dbraw/zinc/66/88/04/1137668804.db2.gz HMZYCDQOXCSCOC-DNVCBOLYSA-N 2 1 330.497 3.935 20 10 EHCDMP Cc1cccc(O)c1C[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000877054370 1137668805 /nfs/dbraw/zinc/66/88/05/1137668805.db2.gz HMZYCDQOXCSCOC-DNVCBOLYSA-N 2 1 330.497 3.935 20 10 EHCDMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(O)c(O)c2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168022555 1024208310 /nfs/dbraw/zinc/20/83/10/1024208310.db2.gz TYLDWQUICUTRSN-HGKCTWBKSA-N 2 1 340.467 3.629 20 10 EHCDMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(O)c(O)c2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168022555 1024208325 /nfs/dbraw/zinc/20/83/25/1024208325.db2.gz TYLDWQUICUTRSN-HGKCTWBKSA-N 2 1 340.467 3.629 20 10 EHCDMP Cc1ccc([C@@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(O)c1C ZINC000273599594 1027512927 /nfs/dbraw/zinc/51/29/27/1027512927.db2.gz RPPSZXYJSMJAHX-SOLBZPMBSA-N 2 1 334.504 3.549 20 10 EHCDMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000271893509 1029218242 /nfs/dbraw/zinc/21/82/42/1029218242.db2.gz SNCBASOFDZCBEJ-MRXNPFEDSA-N 2 1 331.479 3.729 20 10 EHCDMP CC1CCN(c2ccc(C[NH2+]Cc3c[nH+]ccc3N(C)C)cc2)CC1 ZINC001177733928 1133097601 /nfs/dbraw/zinc/09/76/01/1133097601.db2.gz XXTJXNSKEXPTIQ-UHFFFAOYSA-N 2 1 338.499 3.674 20 10 EHCDMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccc(N(C)C)cc1 ZINC000768131966 1133100321 /nfs/dbraw/zinc/10/03/21/1133100321.db2.gz DGLGRVWEORSUKS-UHFFFAOYSA-N 2 1 325.500 3.836 20 10 EHCDMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2ccc(N(C)C)cc2)C1 ZINC000769147940 1133232889 /nfs/dbraw/zinc/23/28/89/1133232889.db2.gz IXVKCTWCJFCJCP-UYAOXDASSA-N 2 1 329.532 3.839 20 10 EHCDMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccc(N(C)C)cc2)C1 ZINC000769147940 1133232895 /nfs/dbraw/zinc/23/28/95/1133232895.db2.gz IXVKCTWCJFCJCP-UYAOXDASSA-N 2 1 329.532 3.839 20 10 EHCDMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccc(N(C)C)cc2)C1 ZINC000769147940 1133232901 /nfs/dbraw/zinc/23/29/01/1133232901.db2.gz IXVKCTWCJFCJCP-UYAOXDASSA-N 2 1 329.532 3.839 20 10 EHCDMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000769147940 1133232906 /nfs/dbraw/zinc/23/29/06/1133232906.db2.gz IXVKCTWCJFCJCP-UYAOXDASSA-N 2 1 329.532 3.839 20 10 EHCDMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000769147940 1133232915 /nfs/dbraw/zinc/23/29/15/1133232915.db2.gz IXVKCTWCJFCJCP-UYAOXDASSA-N 2 1 329.532 3.839 20 10 EHCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H]3c3cccs3)cc2)CC1 ZINC000775645487 1135389772 /nfs/dbraw/zinc/38/97/72/1135389772.db2.gz ALJHKGCVEACBSW-IBGZPJMESA-N 2 1 341.524 3.837 20 10 EHCDMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(OCc2ccccc2)cc1O ZINC000809750442 1135885263 /nfs/dbraw/zinc/88/52/63/1135885263.db2.gz WLHJMUIDBNEXFW-UHFFFAOYSA-N 2 1 342.483 3.745 20 10 EHCDMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000809756517 1135886781 /nfs/dbraw/zinc/88/67/81/1135886781.db2.gz RZWIASMOAVRISH-UHFFFAOYSA-N 2 1 332.467 3.563 20 10 EHCDMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000809756517 1135886785 /nfs/dbraw/zinc/88/67/85/1135886785.db2.gz RZWIASMOAVRISH-UHFFFAOYSA-N 2 1 332.467 3.563 20 10 EHCDMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000809765396 1135888393 /nfs/dbraw/zinc/88/83/93/1135888393.db2.gz NHERAFWQBXMSTO-CXAGYDPISA-N 2 1 343.437 3.543 20 10 EHCDMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000809765396 1135888395 /nfs/dbraw/zinc/88/83/95/1135888395.db2.gz NHERAFWQBXMSTO-CXAGYDPISA-N 2 1 343.437 3.543 20 10 EHCDMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000809765396 1135888397 /nfs/dbraw/zinc/88/83/97/1135888397.db2.gz NHERAFWQBXMSTO-CXAGYDPISA-N 2 1 343.437 3.543 20 10 EHCDMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000809765396 1135888399 /nfs/dbraw/zinc/88/83/99/1135888399.db2.gz NHERAFWQBXMSTO-CXAGYDPISA-N 2 1 343.437 3.543 20 10 EHCDMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2ccc(N3CCCC3)cc2)C1 ZINC001199329512 1135898035 /nfs/dbraw/zinc/89/80/35/1135898035.db2.gz USVZWFBYXHNNKS-KDURUIRLSA-N 2 1 329.532 3.744 20 10 EHCDMP Oc1ccccc1C[N@@H+](Cc1cccc2c1CC[NH2+]C2)C1CCCC1 ZINC000852744799 1136483074 /nfs/dbraw/zinc/48/30/74/1136483074.db2.gz JIACGHWYDUGPOZ-UHFFFAOYSA-N 2 1 336.479 3.983 20 10 EHCDMP COc1cc(C[N@H+]2CCCC23CC[NH+](C)CC3)c(O)c(C(C)(C)C)c1 ZINC000825620368 1137582646 /nfs/dbraw/zinc/58/26/46/1137582646.db2.gz AVJFSWFUONVYDN-UHFFFAOYSA-N 2 1 346.515 3.759 20 10 EHCDMP Cc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c(O)c1 ZINC000877056109 1137668858 /nfs/dbraw/zinc/66/88/58/1137668858.db2.gz YPPVDBRTOFLTKJ-LPHOPBHVSA-N 2 1 330.497 3.935 20 10 EHCDMP COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000186518328 1140208140 /nfs/dbraw/zinc/20/81/40/1140208140.db2.gz ZUJMGBVSBUKLKF-HRCADAONSA-N 2 1 332.488 3.704 20 10 EHCDMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](CC)c2ccccc2O)[C@@H](C)C1 ZINC000155857829 1020076955 /nfs/dbraw/zinc/07/69/55/1020076955.db2.gz JHERGUYJBIHTRT-UHOSZYNNSA-N 2 1 334.504 3.570 20 10 EHCDMP COc1ccc(O)c([C@H](C)[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000185038883 1126746594 /nfs/dbraw/zinc/74/65/94/1126746594.db2.gz PCYXDNKPVOLVNE-BBWFWOEESA-N 2 1 334.504 3.810 20 10 EHCDMP Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000185337352 1126868771 /nfs/dbraw/zinc/86/87/71/1126868771.db2.gz QIZNJOYUBUFALP-UYAOXDASSA-N 2 1 338.495 3.916 20 10 EHCDMP C[C@@H](Cc1cccc(F)c1)[NH2+]C1CC[NH+](Cc2ccccc2O)CC1 ZINC001168466653 1120663389 /nfs/dbraw/zinc/66/33/89/1120663389.db2.gz CYRPSHQLLKUSFT-INIZCTEOSA-N 2 1 342.458 3.717 20 10 EHCDMP CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000153473621 1121197405 /nfs/dbraw/zinc/19/74/05/1121197405.db2.gz YLNMKLIBLJUUFU-GOSISDBHSA-N 2 1 346.515 3.846 20 10 EHCDMP CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000153473621 1121197408 /nfs/dbraw/zinc/19/74/08/1121197408.db2.gz YLNMKLIBLJUUFU-GOSISDBHSA-N 2 1 346.515 3.846 20 10 EHCDMP CC1CC[NH+](CC[C@H]2CCC[N@H+]2Cc2ccc(N(C)C)cc2)CC1 ZINC001175351446 1132645883 /nfs/dbraw/zinc/64/58/83/1132645883.db2.gz MGGORKWXQPDXGW-OAQYLSRUSA-N 2 1 329.532 3.839 20 10 EHCDMP Oc1ccccc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000770506217 1133436003 /nfs/dbraw/zinc/43/60/03/1133436003.db2.gz ZEZCULSJOMAONC-TZIWHRDSSA-N 2 1 336.479 3.879 20 10 EHCDMP Oc1ccccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000770506217 1133436006 /nfs/dbraw/zinc/43/60/06/1133436006.db2.gz ZEZCULSJOMAONC-TZIWHRDSSA-N 2 1 336.479 3.879 20 10 EHCDMP Oc1ccccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000770506217 1133436009 /nfs/dbraw/zinc/43/60/09/1133436009.db2.gz ZEZCULSJOMAONC-TZIWHRDSSA-N 2 1 336.479 3.879 20 10 EHCDMP Cc1cc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(C)n1-c1ccccc1 ZINC000774110694 1133611784 /nfs/dbraw/zinc/61/17/84/1133611784.db2.gz GOTGMZRPABNVAR-XDNSSPFJSA-N 2 1 337.511 3.851 20 10 EHCDMP CCOCc1cc(C[NH2+]CC[C@H](C)[NH+]2CCCCC2)ccc1OC ZINC001201954087 1136078028 /nfs/dbraw/zinc/07/80/28/1136078028.db2.gz HDFRPXMLHQSRGX-KRWDZBQOSA-N 2 1 334.504 3.586 20 10 EHCDMP CC(C)[N@H+](C)CC1CC[NH+](Cc2cc(Cl)c(F)cc2O)CC1 ZINC000816493730 1136724857 /nfs/dbraw/zinc/72/48/57/1136724857.db2.gz LOLGAQJGASWDES-UHFFFAOYSA-N 2 1 328.859 3.737 20 10 EHCDMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cc(Cl)c(F)cc2O)CC1 ZINC000816493730 1136724860 /nfs/dbraw/zinc/72/48/60/1136724860.db2.gz LOLGAQJGASWDES-UHFFFAOYSA-N 2 1 328.859 3.737 20 10 EHCDMP CCN(CC)c1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1F ZINC000816642132 1136743620 /nfs/dbraw/zinc/74/36/20/1136743620.db2.gz QBSXXNLXFYDCAS-FQEVSTJZSA-N 2 1 333.495 3.590 20 10 EHCDMP CCN(CC)c1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1F ZINC000816642132 1136743621 /nfs/dbraw/zinc/74/36/21/1136743621.db2.gz QBSXXNLXFYDCAS-FQEVSTJZSA-N 2 1 333.495 3.590 20 10 EHCDMP CCN(CC)c1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1F ZINC000816642132 1136743623 /nfs/dbraw/zinc/74/36/23/1136743623.db2.gz QBSXXNLXFYDCAS-FQEVSTJZSA-N 2 1 333.495 3.590 20 10 EHCDMP CCN(CC)c1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1F ZINC000816642132 1136743625 /nfs/dbraw/zinc/74/36/25/1136743625.db2.gz QBSXXNLXFYDCAS-FQEVSTJZSA-N 2 1 333.495 3.590 20 10 EHCDMP CC1(C)C[C@H]([NH2+]Cc2cccc(O)c2O)CC[N@H+]1Cc1ccccc1 ZINC001171977214 1137525609 /nfs/dbraw/zinc/52/56/09/1137525609.db2.gz YYOLBHZZHUXNMT-GOSISDBHSA-N 2 1 340.467 3.631 20 10 EHCDMP COc1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c(O)c(C(C)(C)C)c1 ZINC000825885427 1137654498 /nfs/dbraw/zinc/65/44/98/1137654498.db2.gz GBFJZKISSNGOOM-SJPCQFCGSA-N 2 1 346.515 3.755 20 10 EHCDMP COc1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(O)c(C(C)(C)C)c1 ZINC000825885427 1137654499 /nfs/dbraw/zinc/65/44/99/1137654499.db2.gz GBFJZKISSNGOOM-SJPCQFCGSA-N 2 1 346.515 3.755 20 10 EHCDMP COc1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(O)c(C(C)(C)C)c1 ZINC000825885427 1137654500 /nfs/dbraw/zinc/65/45/00/1137654500.db2.gz GBFJZKISSNGOOM-SJPCQFCGSA-N 2 1 346.515 3.755 20 10 EHCDMP Cc1cccc(O)c1C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000877054378 1137668920 /nfs/dbraw/zinc/66/89/20/1137668920.db2.gz HMZYCDQOXCSCOC-KXBFYZLASA-N 2 1 330.497 3.935 20 10 EHCDMP Cc1cccc(O)c1C[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000877054378 1137668921 /nfs/dbraw/zinc/66/89/21/1137668921.db2.gz HMZYCDQOXCSCOC-KXBFYZLASA-N 2 1 330.497 3.935 20 10 EHCDMP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2cc(F)cc(F)c2O)c1 ZINC000882932253 1137838942 /nfs/dbraw/zinc/83/89/42/1137838942.db2.gz CFYDLKBKYPGDQD-UHFFFAOYSA-N 2 1 334.410 3.800 20 10 EHCDMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2cc(F)cc(F)c2O)c1 ZINC000882932253 1137838943 /nfs/dbraw/zinc/83/89/43/1137838943.db2.gz CFYDLKBKYPGDQD-UHFFFAOYSA-N 2 1 334.410 3.800 20 10 EHCDMP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)c1c(F)cccc1F ZINC000883288799 1137852826 /nfs/dbraw/zinc/85/28/26/1137852826.db2.gz RSUVVGMKJAQUFO-HNNXBMFYSA-N 2 1 345.437 3.567 20 10 EHCDMP CCC(CC)[C@H](C[NH2+]C1CCN(c2ccc(OC)cc2)CC1)[NH+](C)C ZINC000133129172 1137879004 /nfs/dbraw/zinc/87/90/04/1137879004.db2.gz WTPDYDXVKWAJDA-NRFANRHFSA-N 2 1 347.547 3.620 20 10 EHCDMP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3cccc(C(F)(F)F)c3O)(C1)CCC2 ZINC001279504418 1021112886 /nfs/dbraw/zinc/11/28/86/1021112886.db2.gz ITFPNBMENKSYHA-JKSUJKDBSA-N 2 1 328.378 3.565 20 10 EHCDMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(N(C)C)cc2)[C@H](C)C1 ZINC000248183252 1040715569 /nfs/dbraw/zinc/71/55/69/1040715569.db2.gz WWJSXRCRFGDMCE-OPYAIIAOSA-N 2 1 347.547 3.540 20 10 EHCDMP C[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCO3)CC[N@H+]1Cc1ccccc1 ZINC000080338642 1041159304 /nfs/dbraw/zinc/15/93/04/1041159304.db2.gz YHSDSXOQNBFBAS-LAUBAEHRSA-N 2 1 336.479 3.764 20 10 EHCDMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cc(C(C)(C)C)cc(O)c2O)CC1 ZINC000738090341 1131460919 /nfs/dbraw/zinc/46/09/19/1131460919.db2.gz PGVZLMNDWFXYGB-UHFFFAOYSA-N 2 1 348.531 3.948 20 10 EHCDMP CC1(C)CC([NH2+]C2CC[NH+](Cc3ccccc3O)CC2)CC(C)(C)O1 ZINC001172654029 1131800653 /nfs/dbraw/zinc/80/06/53/1131800653.db2.gz TVOXHWFARKBSQQ-UHFFFAOYSA-N 2 1 346.515 3.682 20 10 EHCDMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cc(C)cc(C)c2O)CC1 ZINC000766376344 1132526757 /nfs/dbraw/zinc/52/67/57/1132526757.db2.gz ZRXIFTABGHIHAQ-UHFFFAOYSA-N 2 1 348.531 3.579 20 10 EHCDMP CCN(CC)c1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1F ZINC000770351782 1133419844 /nfs/dbraw/zinc/41/98/44/1133419844.db2.gz KUTRXEMFLISYBD-PKOBYXMFSA-N 2 1 333.495 3.588 20 10 EHCDMP CCN(CC)c1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1F ZINC000770351782 1133419846 /nfs/dbraw/zinc/41/98/46/1133419846.db2.gz KUTRXEMFLISYBD-PKOBYXMFSA-N 2 1 333.495 3.588 20 10 EHCDMP CCN(CC)c1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1F ZINC000770351782 1133419851 /nfs/dbraw/zinc/41/98/51/1133419851.db2.gz KUTRXEMFLISYBD-PKOBYXMFSA-N 2 1 333.495 3.588 20 10 EHCDMP CCN(CC)c1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1F ZINC000770351782 1133419854 /nfs/dbraw/zinc/41/98/54/1133419854.db2.gz KUTRXEMFLISYBD-PKOBYXMFSA-N 2 1 333.495 3.588 20 10 EHCDMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cc(-c4ccccc4)ccc3O)CC[C@H]21 ZINC000770353652 1133420357 /nfs/dbraw/zinc/42/03/57/1133420357.db2.gz SXPKVFCUSBGZQM-PZJWPPBQSA-N 2 1 336.479 3.975 20 10 EHCDMP C[NH+]1CCC[C@H]2C[N@H+](Cc3cc(-c4ccccc4)ccc3O)CC[C@H]21 ZINC000770353652 1133420362 /nfs/dbraw/zinc/42/03/62/1133420362.db2.gz SXPKVFCUSBGZQM-PZJWPPBQSA-N 2 1 336.479 3.975 20 10 EHCDMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cc(-c4ccccc4)ccc3O)CC[C@H]21 ZINC000770353652 1133420367 /nfs/dbraw/zinc/42/03/67/1133420367.db2.gz SXPKVFCUSBGZQM-PZJWPPBQSA-N 2 1 336.479 3.975 20 10 EHCDMP Cc1cc(O)c(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1C(C)C ZINC000746644663 1133960338 /nfs/dbraw/zinc/96/03/38/1133960338.db2.gz BPFMFEYGMXKPMJ-YFVAEKQCSA-N 2 1 346.515 3.508 20 10 EHCDMP CCN(CC)c1ccc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000809756800 1135888187 /nfs/dbraw/zinc/88/81/87/1135888187.db2.gz TYCJMGVQQJFBHU-FQEVSTJZSA-N 2 1 329.532 3.697 20 10 EHCDMP Nc1ccc(CC[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000817957983 1136851919 /nfs/dbraw/zinc/85/19/19/1136851919.db2.gz RTRHUFPJEVXNMH-AKIFATBCSA-N 2 1 349.522 3.702 20 10 EHCDMP Cc1ccc(O)c(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)c1 ZINC000858239088 1136951632 /nfs/dbraw/zinc/95/16/32/1136951632.db2.gz IJVXZQCTKCIZAG-UHFFFAOYSA-N 2 1 342.458 3.636 20 10 EHCDMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ccc(Br)cc1O ZINC000858490629 1136972817 /nfs/dbraw/zinc/97/28/17/1136972817.db2.gz KYTLAIRDMZHSPK-OLZOCXBDSA-N 2 1 341.293 3.537 20 10 EHCDMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc(Br)cc1O ZINC000858490629 1136972818 /nfs/dbraw/zinc/97/28/18/1136972818.db2.gz KYTLAIRDMZHSPK-OLZOCXBDSA-N 2 1 341.293 3.537 20 10 EHCDMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N(C)Cc3cccs3)cc2)CC[N@H+]1C ZINC000823955394 1137119113 /nfs/dbraw/zinc/11/91/13/1137119113.db2.gz KPYBWLVWBULAAF-AEFFLSMTSA-N 2 1 343.540 3.957 20 10 EHCDMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC001202521996 1137373548 /nfs/dbraw/zinc/37/35/48/1137373548.db2.gz YMTYGDSRHPHOOD-AQWUKCDYSA-N 2 1 329.532 3.866 20 10 EHCDMP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1cc(F)cc(F)c1O ZINC000882881131 1137836543 /nfs/dbraw/zinc/83/65/43/1137836543.db2.gz ZDDYROHUTUYRHO-UHFFFAOYSA-N 2 1 334.410 3.802 20 10 EHCDMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(N3CCCCC3)c(C)c2)C1 ZINC000827991789 1034391247 /nfs/dbraw/zinc/39/12/47/1034391247.db2.gz WOQXSTGWXCBLPB-HXUWFJFHSA-N 2 1 329.532 3.759 20 10 EHCDMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(N3CCCCC3)c(C)c2)C1 ZINC000827991789 1034391256 /nfs/dbraw/zinc/39/12/56/1034391256.db2.gz WOQXSTGWXCBLPB-HXUWFJFHSA-N 2 1 329.532 3.759 20 10 EHCDMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)c(C)c2)C1 ZINC000827991789 1034391269 /nfs/dbraw/zinc/39/12/69/1034391269.db2.gz WOQXSTGWXCBLPB-HXUWFJFHSA-N 2 1 329.532 3.759 20 10 EHCDMP CCN(C)c1ccc([C@@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000765406054 1127608282 /nfs/dbraw/zinc/60/82/82/1127608282.db2.gz LZIOFXFGGUXCDC-CEXWTWQISA-N 2 1 347.547 3.683 20 10 EHCDMP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c(C)n1-c1cccc(C)c1 ZINC000742375604 1131717391 /nfs/dbraw/zinc/71/73/91/1131717391.db2.gz SKQGXRDCGBLZKN-OXQOHEQNSA-N 2 1 325.500 3.975 20 10 EHCDMP CCCOC1CCC([NH2+]C2CC[NH+](Cc3ccccc3O)CC2)CC1 ZINC001173094376 1131951899 /nfs/dbraw/zinc/95/18/99/1131951899.db2.gz WMTWEFFLYSJWOH-UHFFFAOYSA-N 2 1 346.515 3.684 20 10 EHCDMP Cc1cc(Cl)cc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1O ZINC000793206985 1134882707 /nfs/dbraw/zinc/88/27/07/1134882707.db2.gz MLYZKVZPRDXUOI-KRWDZBQOSA-N 2 1 344.886 3.966 20 10 EHCDMP CC(C)[N@@H+](Cc1ccccc1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775633804 1135364074 /nfs/dbraw/zinc/36/40/74/1135364074.db2.gz KTKCPEJVCYWTLV-UHFFFAOYSA-N 2 1 337.511 3.849 20 10 EHCDMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(OC)cc(C(C)(C)C)c2O)C1 ZINC000850098981 1136210947 /nfs/dbraw/zinc/21/09/47/1136210947.db2.gz PXEPIULDIYGVIT-HNNXBMFYSA-N 2 1 334.504 3.520 20 10 EHCDMP Cc1cc(C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)c(O)c(C(C)(C)C)c1 ZINC000853623164 1136550410 /nfs/dbraw/zinc/55/04/10/1136550410.db2.gz FRQWSLUBPDFICZ-GOSISDBHSA-N 2 1 348.531 3.541 20 10 EHCDMP CC[NH+](CC)CC1CC[NH+](Cc2cc(Cl)c(F)cc2O)CC1 ZINC000816486267 1136723381 /nfs/dbraw/zinc/72/33/81/1136723381.db2.gz WCIDATDLBDFSGI-UHFFFAOYSA-N 2 1 328.859 3.739 20 10 EHCDMP C[C@@H]([NH2+]C[C@@H]1CCN(Cc2ccccc2)C1)c1cc(F)cc(F)c1[O-] ZINC000794827085 1137267689 /nfs/dbraw/zinc/26/76/89/1137267689.db2.gz HAXZLXWCCKLFQL-ZBFHGGJFSA-N 2 1 346.421 3.843 20 10 EHCDMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc2ccccc2c1O ZINC000278629002 1031723820 /nfs/dbraw/zinc/72/38/20/1031723820.db2.gz RWTXBPYVCAXMLT-DLBZAZTESA-N 2 1 342.483 3.697 20 10 EHCDMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc2ccccc2c1O ZINC000278629002 1031723836 /nfs/dbraw/zinc/72/38/36/1031723836.db2.gz RWTXBPYVCAXMLT-DLBZAZTESA-N 2 1 342.483 3.697 20 10 EHCDMP C[C@@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1ccc(N(C)C)cc1 ZINC000764760911 1127529823 /nfs/dbraw/zinc/52/98/23/1127529823.db2.gz GLMSAMSLCSWHSI-GOSISDBHSA-N 2 1 337.511 3.852 20 10 EHCDMP C[C@@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)c1ccc(N(C)C)cc1 ZINC000764760911 1127529825 /nfs/dbraw/zinc/52/98/25/1127529825.db2.gz GLMSAMSLCSWHSI-GOSISDBHSA-N 2 1 337.511 3.852 20 10 EHCDMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cc3c(cc2O)CCC3)C1 ZINC000738107840 1131462712 /nfs/dbraw/zinc/46/27/12/1131462712.db2.gz ORQLGIBNZSJDNK-ROUUACIJSA-N 2 1 342.527 3.967 20 10 EHCDMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000738107840 1131462715 /nfs/dbraw/zinc/46/27/15/1131462715.db2.gz ORQLGIBNZSJDNK-ROUUACIJSA-N 2 1 342.527 3.967 20 10 EHCDMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000738107840 1131462718 /nfs/dbraw/zinc/46/27/18/1131462718.db2.gz ORQLGIBNZSJDNK-ROUUACIJSA-N 2 1 342.527 3.967 20 10 EHCDMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cc(C)c(C)cc2O)CC1 ZINC000766374480 1132526052 /nfs/dbraw/zinc/52/60/52/1132526052.db2.gz PCPMNHAWZLYMHM-UHFFFAOYSA-N 2 1 348.531 3.579 20 10 EHCDMP CCN(C)c1ccc(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000773840936 1133342665 /nfs/dbraw/zinc/34/26/65/1133342665.db2.gz VDLJKPITZRAPIZ-HKUYNNGSSA-N 2 1 329.532 3.885 20 10 EHCDMP CC[N@@H+](CCC1CC[NH+](Cc2c(O)cccc2OC)CC1)CC(C)C ZINC000809755972 1135887278 /nfs/dbraw/zinc/88/72/78/1135887278.db2.gz MUYKTPOPFWZEBA-UHFFFAOYSA-N 2 1 348.531 3.981 20 10 EHCDMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3ccc(N4CCCCC4)cc3)C2)CC1 ZINC000809756893 1135888177 /nfs/dbraw/zinc/88/81/77/1135888177.db2.gz UXYUNMAJIHOAPP-NRFANRHFSA-N 2 1 341.543 3.841 20 10 EHCDMP Cc1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)ccc1N(C)C ZINC000815074188 1136547083 /nfs/dbraw/zinc/54/70/83/1136547083.db2.gz LDUONBXRLRHGPX-NQIIRXRSSA-N 2 1 327.516 3.510 20 10 EHCDMP Cc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)ccc1N(C)C ZINC000815074188 1136547085 /nfs/dbraw/zinc/54/70/85/1136547085.db2.gz LDUONBXRLRHGPX-NQIIRXRSSA-N 2 1 327.516 3.510 20 10 EHCDMP Cc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)ccc1N(C)C ZINC000815074188 1136547087 /nfs/dbraw/zinc/54/70/87/1136547087.db2.gz LDUONBXRLRHGPX-NQIIRXRSSA-N 2 1 327.516 3.510 20 10 EHCDMP C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1cccc(C(F)(F)F)c1O ZINC000817587142 1136825923 /nfs/dbraw/zinc/82/59/23/1136825923.db2.gz VEGMDNHDHIIIMP-HIFPTAJRSA-N 2 1 330.394 3.934 20 10 EHCDMP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1cc(Cl)c(Cl)cc1O ZINC000817987851 1136855482 /nfs/dbraw/zinc/85/54/82/1136855482.db2.gz YUNRVLHSVCHIRP-WHOHXGKFSA-N 2 1 329.271 3.738 20 10 EHCDMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(N(C)Cc3cccs3)cc2)C1 ZINC000823667113 1137108852 /nfs/dbraw/zinc/10/88/52/1137108852.db2.gz ZJQKUKPTACRNRZ-SFHVURJKSA-N 2 1 343.540 3.816 20 10 EHCDMP COc1cccc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1O ZINC000846167579 1137337281 /nfs/dbraw/zinc/33/72/81/1137337281.db2.gz KXYXHUFTZHJKAM-WMZOPIPTSA-N 2 1 340.467 3.574 20 10 EHCDMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000152385189 1139087916 /nfs/dbraw/zinc/08/79/16/1139087916.db2.gz YEIFFRBBNYANTO-IAGOWNOFSA-N 2 1 345.506 3.951 20 10 EHCDMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000268835780 1141004094 /nfs/dbraw/zinc/00/40/94/1141004094.db2.gz UFYNNRPINZDHNM-OAHLLOKOSA-N 2 1 330.451 3.672 20 10 EHCDMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000268866642 1141012433 /nfs/dbraw/zinc/01/24/33/1141012433.db2.gz NYMGPPLSKULEOL-QGZVFWFLSA-N 2 1 326.488 3.923 20 10 EHCDMP Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000185337318 1126868932 /nfs/dbraw/zinc/86/89/32/1126868932.db2.gz QIZNJOYUBUFALP-QUCCMNQESA-N 2 1 338.495 3.916 20 10 EHCDMP Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169124019 1132665747 /nfs/dbraw/zinc/66/57/47/1132665747.db2.gz PJOJUOCAVOWUQZ-MFCZKXCZSA-N 2 1 328.500 3.847 20 10 EHCDMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(C(F)(F)F)c1[O-] ZINC000815561150 1136610818 /nfs/dbraw/zinc/61/08/18/1136610818.db2.gz ZRNFZCLUXPUONW-RWMBFGLXSA-N 2 1 328.378 3.688 20 10 EHCDMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(N(C)Cc3cccs3)cc2)C1 ZINC000823667112 1137108999 /nfs/dbraw/zinc/10/89/99/1137108999.db2.gz ZJQKUKPTACRNRZ-GOSISDBHSA-N 2 1 343.540 3.816 20 10 EHCDMP C[C@@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(C(F)(F)F)c1O ZINC000873262407 1137595663 /nfs/dbraw/zinc/59/56/63/1137595663.db2.gz YZEIFSWURSKWLC-FVCCEPFGSA-N 2 1 328.378 3.592 20 10 EHCDMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@@H](CC)c2ccccc2O)[C@@H](C)C1 ZINC000155857495 1020074814 /nfs/dbraw/zinc/07/48/14/1020074814.db2.gz JHERGUYJBIHTRT-YTQUADARSA-N 2 1 334.504 3.570 20 10 EHCDMP C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311025312 1033221031 /nfs/dbraw/zinc/22/10/31/1033221031.db2.gz CAEJPLFBBKXWBC-WIYYLYMNSA-N 2 1 337.511 3.753 20 10 EHCDMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc(F)ccc1O ZINC000195138037 1032049867 /nfs/dbraw/zinc/04/98/67/1032049867.db2.gz CQTXVRVRKOJPAW-WBVHZDCISA-N 2 1 328.431 3.704 20 10 EHCDMP COc1ccc(O)c([C@H](C)[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000192874052 1040927601 /nfs/dbraw/zinc/92/76/01/1040927601.db2.gz DLLZFDYEOZYVCS-INIZCTEOSA-N 2 1 340.467 3.716 20 10 EHCDMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cc2c(cc1O)CCC2 ZINC000762076948 1121094527 /nfs/dbraw/zinc/09/45/27/1121094527.db2.gz XFLFSMHNWFLTER-UHFFFAOYSA-N 2 1 327.472 3.552 20 10 EHCDMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cc2c(cc1O)CCC2 ZINC000762076948 1121094535 /nfs/dbraw/zinc/09/45/35/1121094535.db2.gz XFLFSMHNWFLTER-UHFFFAOYSA-N 2 1 327.472 3.552 20 10 EHCDMP CC1([NH+]2CCC2)CCC([NH2+]Cc2c(O)ccc(Cl)c2F)CC1 ZINC000922845335 1129691565 /nfs/dbraw/zinc/69/15/65/1129691565.db2.gz OHLKBTZJBIWMGX-UHFFFAOYSA-N 2 1 326.843 3.681 20 10 EHCDMP C[C@H]([NH2+]CCC1CC[NH+](C)CC1)c1cccc(C(F)(F)F)c1O ZINC000798181895 1133085419 /nfs/dbraw/zinc/08/54/19/1133085419.db2.gz BREUIDFUKROYGB-LBPRGKRZSA-N 2 1 330.394 3.794 20 10 EHCDMP Oc1cc2c(cc1C[N@H+]1CC[C@H](C[NH+]3CCCCC3)C1)CCCC2 ZINC000768465484 1133144644 /nfs/dbraw/zinc/14/46/44/1133144644.db2.gz HSYLHHVFXHOHSO-QGZVFWFLSA-N 2 1 328.500 3.579 20 10 EHCDMP CN(C)c1ccc(/C=C/C[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cc1 ZINC001179015480 1133221379 /nfs/dbraw/zinc/22/13/79/1133221379.db2.gz BQMCOGBBJVWHRE-ZCBMTBAISA-N 2 1 349.522 3.701 20 10 EHCDMP CN(C)c1ccc(/C=C\C[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cc1 ZINC001179015479 1133221573 /nfs/dbraw/zinc/22/15/73/1133221573.db2.gz BQMCOGBBJVWHRE-OENHHBGDSA-N 2 1 349.522 3.701 20 10 EHCDMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccc(N(C)C)cc3)C2)CC1 ZINC000769147965 1133234782 /nfs/dbraw/zinc/23/47/82/1133234782.db2.gz KBGAKACISIZIEN-FQEVSTJZSA-N 2 1 329.532 3.697 20 10 EHCDMP CCOc1cccc(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)c1O ZINC000769149256 1133234919 /nfs/dbraw/zinc/23/49/19/1133234919.db2.gz ZMHCOJRQERLQSD-ROUUACIJSA-N 2 1 346.515 3.877 20 10 EHCDMP CCOc1cccc(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1O ZINC000769149256 1133234923 /nfs/dbraw/zinc/23/49/23/1133234923.db2.gz ZMHCOJRQERLQSD-ROUUACIJSA-N 2 1 346.515 3.877 20 10 EHCDMP CCOc1cccc(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)c1O ZINC000769149256 1133234930 /nfs/dbraw/zinc/23/49/30/1133234930.db2.gz ZMHCOJRQERLQSD-ROUUACIJSA-N 2 1 346.515 3.877 20 10 EHCDMP CC[C@H]([NH2+]CCN1CC[C@@H](C)C1)c1cc(Br)ccc1[O-] ZINC000775511089 1134980057 /nfs/dbraw/zinc/98/00/57/1134980057.db2.gz BECQALTUZAAQGN-DOMZBBRYSA-N 2 1 341.293 3.537 20 10 EHCDMP CC[C@@H]([NH2+]CCN1CC[C@@H](C)C1)c1cc(Br)ccc1[O-] ZINC000775511090 1134980475 /nfs/dbraw/zinc/98/04/75/1134980475.db2.gz BECQALTUZAAQGN-IUODEOHRSA-N 2 1 341.293 3.537 20 10 EHCDMP C[N@@H+](CCCc1ccccc1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775652375 1135417287 /nfs/dbraw/zinc/41/72/87/1135417287.db2.gz YNBNLKSPCKLWRD-UHFFFAOYSA-N 2 1 337.511 3.503 20 10 EHCDMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000809767458 1135879674 /nfs/dbraw/zinc/87/96/74/1135879674.db2.gz LNYZZSDUHYVQHM-CTNGQTDRSA-N 2 1 336.479 3.975 20 10 EHCDMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000809767458 1135879676 /nfs/dbraw/zinc/87/96/76/1135879676.db2.gz LNYZZSDUHYVQHM-CTNGQTDRSA-N 2 1 336.479 3.975 20 10 EHCDMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000809767458 1135879679 /nfs/dbraw/zinc/87/96/79/1135879679.db2.gz LNYZZSDUHYVQHM-CTNGQTDRSA-N 2 1 336.479 3.975 20 10 EHCDMP CC[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(C(F)(F)F)cc1O ZINC000810229812 1135941710 /nfs/dbraw/zinc/94/17/10/1135941710.db2.gz KYPFNPWLKDSRCC-OAHLLOKOSA-N 2 1 328.378 3.714 20 10 EHCDMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](CCc2ccccc2)c2ccccc2O)C1 ZINC000815561070 1136610935 /nfs/dbraw/zinc/61/09/35/1136610935.db2.gz XODFKVDHHCRYRE-CTNGQTDRSA-N 2 1 338.495 3.998 20 10 EHCDMP C[C@H]([NH2+]C[C@@H]1CCN(Cc2ccccc2)C1)c1cc(F)cc(F)c1[O-] ZINC000794827083 1137267680 /nfs/dbraw/zinc/26/76/80/1137267680.db2.gz HAXZLXWCCKLFQL-HOCLYGCPSA-N 2 1 346.421 3.843 20 10 EHCDMP COc1cccc([C@@H](C)[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c1O ZINC000846136659 1137338155 /nfs/dbraw/zinc/33/81/55/1137338155.db2.gz IVEPFCOCMWBULZ-MRXNPFEDSA-N 2 1 340.467 3.716 20 10 EHCDMP Cc1ccc(O)c(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)c1 ZINC000895391996 1024459726 /nfs/dbraw/zinc/45/97/26/1024459726.db2.gz IXCFXAVYWFIJFB-TYPHKJRUSA-N 2 1 336.479 3.843 20 10 EHCDMP Oc1cccc(F)c1C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000896644661 1025779995 /nfs/dbraw/zinc/77/99/95/1025779995.db2.gz YPKCVLWDVVZOMJ-KSZLIROESA-N 2 1 340.442 3.674 20 10 EHCDMP Oc1cccc(F)c1C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000896644661 1025780012 /nfs/dbraw/zinc/78/00/12/1025780012.db2.gz YPKCVLWDVVZOMJ-KSZLIROESA-N 2 1 340.442 3.674 20 10 EHCDMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc(F)ccc1O ZINC000195138024 1032051463 /nfs/dbraw/zinc/05/14/63/1032051463.db2.gz CQTXVRVRKOJPAW-RDJZCZTQSA-N 2 1 328.431 3.704 20 10 EHCDMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2c(O)ccc3ccc(OC)cc32)C1 ZINC000173432533 1033331796 /nfs/dbraw/zinc/33/17/96/1033331796.db2.gz IMJPRSUENDMDBE-INIZCTEOSA-N 2 1 342.483 3.718 20 10 EHCDMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000765511867 1127632293 /nfs/dbraw/zinc/63/22/93/1127632293.db2.gz FPDOLLKRLQBUQH-KRWDZBQOSA-N 2 1 326.488 3.923 20 10 EHCDMP CCOc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c(O)c1 ZINC000769148608 1133233838 /nfs/dbraw/zinc/23/38/38/1133233838.db2.gz OVACNUMFXCVMIQ-GOSISDBHSA-N 2 1 346.515 3.735 20 10 EHCDMP CCCn1ccnc1CCC[N@@H+](C)Cc1ccc(N(C)CC)cc1 ZINC000773889405 1133438737 /nfs/dbraw/zinc/43/87/37/1133438737.db2.gz UFGMWUFUHCKJPX-UHFFFAOYSA-N 2 1 328.504 3.814 20 10 EHCDMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc(N(C)CC)cc1 ZINC000773889405 1133438741 /nfs/dbraw/zinc/43/87/41/1133438741.db2.gz UFGMWUFUHCKJPX-UHFFFAOYSA-N 2 1 328.504 3.814 20 10 EHCDMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc(N(C)CC)cc1 ZINC000773889405 1133438747 /nfs/dbraw/zinc/43/87/47/1133438747.db2.gz UFGMWUFUHCKJPX-UHFFFAOYSA-N 2 1 328.504 3.814 20 10 EHCDMP Cc1cc(O)c(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1C ZINC000278721765 1032131798 /nfs/dbraw/zinc/13/17/98/1032131798.db2.gz KTEQIBHBOSZPQQ-UHFFFAOYSA-N 2 1 339.483 3.921 20 10 EHCDMP COc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000195133555 1032047346 /nfs/dbraw/zinc/04/73/46/1032047346.db2.gz ZFRAFUZPLGEOIB-SJLPKXTDSA-N 2 1 340.467 3.574 20 10 EHCDMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCc2cccc(O)c21 ZINC000398187093 1041172985 /nfs/dbraw/zinc/17/29/85/1041172985.db2.gz YLENYRUZRRKAKD-AHRSYUTCSA-N 2 1 336.479 3.880 20 10 EHCDMP Cc1cc(O)c(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cc1C ZINC000743401540 1131913286 /nfs/dbraw/zinc/91/32/86/1131913286.db2.gz BUSNNVNTLLLPQU-HXUWFJFHSA-N 2 1 338.495 3.963 20 10 EHCDMP Cc1cc(O)c(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1C ZINC000743401540 1131913293 /nfs/dbraw/zinc/91/32/93/1131913293.db2.gz BUSNNVNTLLLPQU-HXUWFJFHSA-N 2 1 338.495 3.963 20 10 EHCDMP Cc1cc(O)c(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1C ZINC000743401540 1131913298 /nfs/dbraw/zinc/91/32/98/1131913298.db2.gz BUSNNVNTLLLPQU-HXUWFJFHSA-N 2 1 338.495 3.963 20 10 EHCDMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]Cc2ccc4c(c2)CCO4)C3)cc1 ZINC000774163576 1133626163 /nfs/dbraw/zinc/62/61/63/1133626163.db2.gz RZLHKKJBVPVLOL-KOUNCHBCSA-N 2 1 348.490 3.907 20 10 EHCDMP C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775701886 1135539160 /nfs/dbraw/zinc/53/91/60/1135539160.db2.gz OHUVFLGSJSFSFS-SLYNCCJLSA-N 2 1 327.516 3.591 20 10 EHCDMP Cc1cc(Cl)cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1O ZINC000775740352 1135598647 /nfs/dbraw/zinc/59/86/47/1135598647.db2.gz VGXGBWKSPJOHQP-KSSFIOAISA-N 2 1 334.891 3.803 20 10 EHCDMP CCN(CC)c1ccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)cc1F ZINC000809767401 1135879638 /nfs/dbraw/zinc/87/96/38/1135879638.db2.gz JYVJMLLHKBIOFR-HKUYNNGSSA-N 2 1 333.495 3.588 20 10 EHCDMP CCN(CC)c1ccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc1F ZINC000809767401 1135879641 /nfs/dbraw/zinc/87/96/41/1135879641.db2.gz JYVJMLLHKBIOFR-HKUYNNGSSA-N 2 1 333.495 3.588 20 10 EHCDMP CCN(CC)c1ccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)cc1F ZINC000809767401 1135879643 /nfs/dbraw/zinc/87/96/43/1135879643.db2.gz JYVJMLLHKBIOFR-HKUYNNGSSA-N 2 1 333.495 3.588 20 10 EHCDMP CCN(CC)c1ccc(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1F ZINC000817903345 1136844564 /nfs/dbraw/zinc/84/45/64/1136844564.db2.gz NPURUSWJGWYJLD-RTBURBONSA-N 2 1 327.447 3.906 20 10 EHCDMP Nc1ccc(CC[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000817957982 1136852193 /nfs/dbraw/zinc/85/21/93/1136852193.db2.gz RTRHUFPJEVXNMH-ACIOBRDBSA-N 2 1 349.522 3.702 20 10 EHCDMP COc1cccc([C@@H](C)[NH2+]CCC[N@H+](C)Cc2ccccc2)c1O ZINC000846135754 1137338125 /nfs/dbraw/zinc/33/81/25/1137338125.db2.gz GMIUZAWGMWAUSF-MRXNPFEDSA-N 2 1 328.456 3.574 20 10 EHCDMP COc1cccc([C@@H](C)[NH2+]CCC[N@@H+](C)Cc2ccccc2)c1O ZINC000846135754 1137338127 /nfs/dbraw/zinc/33/81/27/1137338127.db2.gz GMIUZAWGMWAUSF-MRXNPFEDSA-N 2 1 328.456 3.574 20 10 EHCDMP COc1cccc([C@H](C)[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1O ZINC000846139974 1137338495 /nfs/dbraw/zinc/33/84/95/1137338495.db2.gz CXMXAIMKRBZJQD-BBWFWOEESA-N 2 1 334.504 3.810 20 10 EHCDMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2cccc(OC)c2O)c1 ZINC000846146058 1137339093 /nfs/dbraw/zinc/33/90/93/1137339093.db2.gz PQPZMLNKNFRFDL-HNNXBMFYSA-N 2 1 328.456 3.703 20 10 EHCDMP CC1(C)C[C@@H]([NH2+]Cc2ccc(O)c(O)c2)CC[N@@H+]1Cc1ccccc1 ZINC001171982677 1137526491 /nfs/dbraw/zinc/52/64/91/1137526491.db2.gz JOVHMRMSPWZVPE-SFHVURJKSA-N 2 1 340.467 3.631 20 10 EHCDMP CC1(C)C[C@@H]([NH2+]Cc2ccc(O)c(O)c2)CC[N@H+]1Cc1ccccc1 ZINC001171982677 1137526492 /nfs/dbraw/zinc/52/64/92/1137526492.db2.gz JOVHMRMSPWZVPE-SFHVURJKSA-N 2 1 340.467 3.631 20 10 EHCDMP Cc1[nH+]ccn1CCCC[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000128380211 1137776806 /nfs/dbraw/zinc/77/68/06/1137776806.db2.gz RFAGEZRHVGOTFI-UHFFFAOYSA-N 2 1 339.439 3.973 20 10 EHCDMP Cc1[nH+]ccn1CCCC[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000128380211 1137776807 /nfs/dbraw/zinc/77/68/07/1137776807.db2.gz RFAGEZRHVGOTFI-UHFFFAOYSA-N 2 1 339.439 3.973 20 10 EHCDMP Oc1c(F)cc(F)cc1C[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000882881523 1137836673 /nfs/dbraw/zinc/83/66/73/1137836673.db2.gz QXBKIFFGRMOXKB-UHFFFAOYSA-N 2 1 346.421 3.946 20 10 EHCDMP CN1CCCc2cc(C[NH2+]C3CC[NH+](Cc4ccccc4)CC3)ccc21 ZINC000237188366 1024131675 /nfs/dbraw/zinc/13/16/75/1024131675.db2.gz MTUVMJNCBWJVNN-UHFFFAOYSA-N 2 1 349.522 3.823 20 10 EHCDMP CSC1(C[NH2+][C@H](C)c2ccc(Cl)cc2O)CC[NH+](C)CC1 ZINC000841752862 1028940765 /nfs/dbraw/zinc/94/07/65/1028940765.db2.gz CTRLDNHTTLYOPB-GFCCVEGCSA-N 2 1 328.909 3.524 20 10 EHCDMP CC[N@H+](Cc1cccc(C)c1O)CC1CCN(c2ccccn2)CC1 ZINC000180367568 1123996335 /nfs/dbraw/zinc/99/63/35/1123996335.db2.gz YJCPJWOSPUVGCG-UHFFFAOYSA-N 2 1 339.483 3.834 20 10 EHCDMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cc3c(cc2O)CCC3)C1 ZINC000738107837 1131462839 /nfs/dbraw/zinc/46/28/39/1131462839.db2.gz ORQLGIBNZSJDNK-MSOLQXFVSA-N 2 1 342.527 3.967 20 10 EHCDMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000738107837 1131462841 /nfs/dbraw/zinc/46/28/41/1131462841.db2.gz ORQLGIBNZSJDNK-MSOLQXFVSA-N 2 1 342.527 3.967 20 10 EHCDMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000738107837 1131462844 /nfs/dbraw/zinc/46/28/44/1131462844.db2.gz ORQLGIBNZSJDNK-MSOLQXFVSA-N 2 1 342.527 3.967 20 10 EHCDMP CCOc1cccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)c1O ZINC000769149257 1133234551 /nfs/dbraw/zinc/23/45/51/1133234551.db2.gz ZMHCOJRQERLQSD-ZWKOTPCHSA-N 2 1 346.515 3.877 20 10 EHCDMP CCOc1cccc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1O ZINC000769149257 1133234558 /nfs/dbraw/zinc/23/45/58/1133234558.db2.gz ZMHCOJRQERLQSD-ZWKOTPCHSA-N 2 1 346.515 3.877 20 10 EHCDMP CCOc1cccc(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)c1O ZINC000769149257 1133234564 /nfs/dbraw/zinc/23/45/64/1133234564.db2.gz ZMHCOJRQERLQSD-ZWKOTPCHSA-N 2 1 346.515 3.877 20 10 EHCDMP CC(C)[NH+]1CCC([NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)CC1 ZINC000792895903 1134816040 /nfs/dbraw/zinc/81/60/40/1134816040.db2.gz YSXYTTXUGXPBAB-UHFFFAOYSA-N 2 1 343.437 3.734 20 10 EHCDMP CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000853239247 1136520675 /nfs/dbraw/zinc/52/06/75/1136520675.db2.gz CVASQHFETAXGTJ-MJGOQNOKSA-N 2 1 329.532 3.915 20 10 EHCDMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816535179 1136730791 /nfs/dbraw/zinc/73/07/91/1136730791.db2.gz IOWKHENHDWDPLC-CYBMUJFWSA-N 2 1 328.859 3.929 20 10 EHCDMP C[C@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1cccc(C(F)(F)F)c1O ZINC000817950619 1136850433 /nfs/dbraw/zinc/85/04/33/1136850433.db2.gz YZTLZSQWFYGIEZ-LBPRGKRZSA-N 2 1 338.373 3.763 20 10 EHCDMP Nc1ccc(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000817956937 1136851562 /nfs/dbraw/zinc/85/15/62/1136851562.db2.gz GGKMPKZGYNUHBV-DKUWSORSSA-N 2 1 335.495 3.597 20 10 EHCDMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(N(C)Cc3cccs3)cc2)CC[N@H+]1C ZINC000823955397 1137119223 /nfs/dbraw/zinc/11/92/23/1137119223.db2.gz KPYBWLVWBULAAF-WMZOPIPTSA-N 2 1 343.540 3.957 20 10 EHCDMP C[C@H]1C[C@H]([NH2+]Cc2ccc(N(C)Cc3cccs3)cc2)CC[N@H+]1C ZINC000823955395 1137119236 /nfs/dbraw/zinc/11/92/36/1137119236.db2.gz KPYBWLVWBULAAF-FUHWJXTLSA-N 2 1 343.540 3.957 20 10 EHCDMP CCC1([NH+]2CCCC2)CC[NH+](Cc2cc(C)cc(OC)c2O)CC1 ZINC000872646579 1137582376 /nfs/dbraw/zinc/58/23/76/1137582376.db2.gz BYNVEOXDGJANQD-UHFFFAOYSA-N 2 1 332.488 3.550 20 10 EHCDMP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1cc2c(cc1O)CCCC2 ZINC000273586804 1027506327 /nfs/dbraw/zinc/50/63/27/1027506327.db2.gz NYSXJNLGDVRQOV-OAHLLOKOSA-N 2 1 328.500 3.939 20 10 EHCDMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc(F)ccc1O ZINC000195138061 1032051628 /nfs/dbraw/zinc/05/16/28/1032051628.db2.gz CQTXVRVRKOJPAW-NVXWUHKLSA-N 2 1 328.431 3.704 20 10 EHCDMP CCN(CC)c1ccc(C[N@H+]2CCCC23CC[NH+](C)CC3)cc1F ZINC000789559400 1134300562 /nfs/dbraw/zinc/30/05/62/1134300562.db2.gz PXWCSBUAWUGNMP-UHFFFAOYSA-N 2 1 333.495 3.732 20 10 EHCDMP C[C@@H](c1ccco1)[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C1CC1 ZINC000775662194 1135437521 /nfs/dbraw/zinc/43/75/21/1135437521.db2.gz RXTFFVBDDKLKFI-KRWDZBQOSA-N 2 1 339.483 3.757 20 10 EHCDMP Cc1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)ccc1N(C)C ZINC000815074187 1136547238 /nfs/dbraw/zinc/54/72/38/1136547238.db2.gz LDUONBXRLRHGPX-GHTZIAJQSA-N 2 1 327.516 3.510 20 10 EHCDMP Cc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)ccc1N(C)C ZINC000815074187 1136547240 /nfs/dbraw/zinc/54/72/40/1136547240.db2.gz LDUONBXRLRHGPX-GHTZIAJQSA-N 2 1 327.516 3.510 20 10 EHCDMP Cc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)ccc1N(C)C ZINC000815074187 1136547242 /nfs/dbraw/zinc/54/72/42/1136547242.db2.gz LDUONBXRLRHGPX-GHTZIAJQSA-N 2 1 327.516 3.510 20 10 EHCDMP [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000816594483 1136735564 /nfs/dbraw/zinc/73/55/64/1136735564.db2.gz FKEJHCBUDJBDJW-OAHLLOKOSA-N 2 1 348.849 3.796 20 10 EHCDMP COc1cc(C[NH+]2CCC([NH2+]C(C)C)CC2)c(O)c(C(C)(C)C)c1 ZINC000824657599 1137146700 /nfs/dbraw/zinc/14/67/00/1137146700.db2.gz RDRGURLTJVVLJQ-UHFFFAOYSA-N 2 1 334.504 3.661 20 10 EHCDMP COc1cccc([C@@H](C)[NH2+]CC[C@@H](C)[N@@H+](C)Cc2ccccc2)c1O ZINC000846144587 1137339078 /nfs/dbraw/zinc/33/90/78/1137339078.db2.gz IAXZTHGPZILSFL-IAGOWNOFSA-N 2 1 342.483 3.962 20 10 EHCDMP CCC1([NH+](C)C)CC[NH+](Cc2cc(C(C)(C)C)cc(O)c2O)CC1 ZINC000872668719 1137582588 /nfs/dbraw/zinc/58/25/88/1137582588.db2.gz XNZDSLDDBBFYRV-UHFFFAOYSA-N 2 1 334.504 3.702 20 10 EHCDMP COc1ccc(O)c(C[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)c1 ZINC000181032944 1139880100 /nfs/dbraw/zinc/88/01/00/1139880100.db2.gz SAQJRYXKUAKOOS-UHFFFAOYSA-N 2 1 328.456 3.531 20 10 EHCDMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2ccccc2O)cc1F ZINC000183446553 1032171549 /nfs/dbraw/zinc/17/15/49/1032171549.db2.gz LPKPLAJGHAZWAD-CYBMUJFWSA-N 2 1 325.387 3.876 20 10 EHCDMP Cc1cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1N1CCCCC1 ZINC000827972823 1031915780 /nfs/dbraw/zinc/91/57/80/1031915780.db2.gz COCXHWWVIYZVJF-ICSRJNTNSA-N 2 1 329.532 3.900 20 10 EHCDMP Cc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1N1CCCCC1 ZINC000827972823 1031915789 /nfs/dbraw/zinc/91/57/89/1031915789.db2.gz COCXHWWVIYZVJF-ICSRJNTNSA-N 2 1 329.532 3.900 20 10 EHCDMP Cc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)ccc1N1CCCCC1 ZINC000827972823 1031915796 /nfs/dbraw/zinc/91/57/96/1031915796.db2.gz COCXHWWVIYZVJF-ICSRJNTNSA-N 2 1 329.532 3.900 20 10 EHCDMP Cc1cc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)ccc1N1CCCCC1 ZINC000827972823 1031915814 /nfs/dbraw/zinc/91/58/14/1031915814.db2.gz COCXHWWVIYZVJF-ICSRJNTNSA-N 2 1 329.532 3.900 20 10 EHCDMP CCOc1cccc(C[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)c1O ZINC000236950113 1039282102 /nfs/dbraw/zinc/28/21/02/1039282102.db2.gz LVJRXQZQWHCICD-UHFFFAOYSA-N 2 1 342.483 3.921 20 10 EHCDMP Cc1cc(N(C)C)ccc1C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC001181484969 1133496644 /nfs/dbraw/zinc/49/66/44/1133496644.db2.gz GTTLMRJPXKIXGJ-UHFFFAOYSA-N 2 1 325.500 3.755 20 10 EHCDMP CC[NH+](CC)C1CC[NH+](Cc2c(O)ccc3ccc(OC)cc32)CC1 ZINC000151850415 1133524899 /nfs/dbraw/zinc/52/48/99/1133524899.db2.gz WPMBCZIONIZHMY-UHFFFAOYSA-N 2 1 342.483 3.860 20 10 EHCDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)Cc1cccc(Cl)c1 ZINC000775643210 1135382054 /nfs/dbraw/zinc/38/20/54/1135382054.db2.gz OUEMXPYBJOLTBB-UHFFFAOYSA-N 2 1 343.902 3.724 20 10 EHCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H]3c3ccsc3)cc2)CC1 ZINC000775652782 1135422493 /nfs/dbraw/zinc/42/24/93/1135422493.db2.gz TVMOAJLFYJHIIX-HXUWFJFHSA-N 2 1 341.524 3.837 20 10 EHCDMP C[C@H](c1ccco1)[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C1CC1 ZINC000775662197 1135437578 /nfs/dbraw/zinc/43/75/78/1135437578.db2.gz RXTFFVBDDKLKFI-QGZVFWFLSA-N 2 1 339.483 3.757 20 10 EHCDMP CCS[C@@H]1CC[C@H]([N@@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775735559 1135592467 /nfs/dbraw/zinc/59/24/67/1135592467.db2.gz SDXDVFAUCBFESM-VQTJNVASSA-N 2 1 347.572 3.544 20 10 EHCDMP COc1cc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)c(O)c(C(C)(C)C)c1 ZINC000850097257 1136210380 /nfs/dbraw/zinc/21/03/80/1136210380.db2.gz VXQMDBZZSOHZPG-HNNXBMFYSA-N 2 1 334.504 3.518 20 10 EHCDMP Cc1ccc(O)c(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000858238711 1136951714 /nfs/dbraw/zinc/95/17/14/1136951714.db2.gz CBTAWQBIUOOMSK-HXUWFJFHSA-N 2 1 336.479 3.987 20 10 EHCDMP Cc1ccc(O)c(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000858238711 1136951716 /nfs/dbraw/zinc/95/17/16/1136951716.db2.gz CBTAWQBIUOOMSK-HXUWFJFHSA-N 2 1 336.479 3.987 20 10 EHCDMP Oc1c(F)cc(F)cc1C[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000882880777 1137836550 /nfs/dbraw/zinc/83/65/50/1137836550.db2.gz IGVCXZYQZWDZNS-UHFFFAOYSA-N 2 1 332.394 3.556 20 10 EHCDMP CC[C@@H]([NH2+]CCC[N@@H+](C)C(C)C)c1cc(Br)ccc1O ZINC000229546812 1034233131 /nfs/dbraw/zinc/23/31/31/1034233131.db2.gz QTSIDPCIHOCESK-OAHLLOKOSA-N 2 1 343.309 3.926 20 10 EHCDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000237574348 1039392364 /nfs/dbraw/zinc/39/23/64/1039392364.db2.gz GWUOXFNCEIBOGK-QGZVFWFLSA-N 2 1 326.488 3.608 20 10 EHCDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000185346740 1126874096 /nfs/dbraw/zinc/87/40/96/1126874096.db2.gz LRTUPBPJVYLEQX-CABCVRRESA-N 2 1 327.472 3.763 20 10 EHCDMP Oc1cc2c(cc1C[N@H+]1CCC[C@H]([NH+]3CCCC3)CC1)CCCC2 ZINC000768448819 1133140704 /nfs/dbraw/zinc/14/07/04/1133140704.db2.gz XTYQASCOVSEHJZ-FQEVSTJZSA-N 2 1 328.500 3.721 20 10 EHCDMP C[C@H]1CCC[N@H+](CCCC[NH2+]Cc2c(O)ccc(Cl)c2F)C1 ZINC000790950305 1134484205 /nfs/dbraw/zinc/48/42/05/1134484205.db2.gz VRLOUCJXEFVUFM-ZDUSSCGKSA-N 2 1 328.859 3.786 20 10 EHCDMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2c(O)ccc(Cl)c2F)C1 ZINC000790950305 1134484208 /nfs/dbraw/zinc/48/42/08/1134484208.db2.gz VRLOUCJXEFVUFM-ZDUSSCGKSA-N 2 1 328.859 3.786 20 10 EHCDMP CC(C)[N@H+](C)CC1CC[NH+](Cc2c(O)ccc(Cl)c2F)CC1 ZINC000792167663 1134661602 /nfs/dbraw/zinc/66/16/02/1134661602.db2.gz XKAKVDXRSKGCLA-UHFFFAOYSA-N 2 1 328.859 3.737 20 10 EHCDMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2c(O)ccc(Cl)c2F)CC1 ZINC000792167663 1134661606 /nfs/dbraw/zinc/66/16/06/1134661606.db2.gz XKAKVDXRSKGCLA-UHFFFAOYSA-N 2 1 328.859 3.737 20 10 EHCDMP Cc1cc(Cl)cc([C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)c1O ZINC000808715188 1135720089 /nfs/dbraw/zinc/72/00/89/1135720089.db2.gz BGCLDIKOHVHEFU-HUUCEWRRSA-N 2 1 340.895 3.506 20 10 EHCDMP Cc1cc(Cl)cc([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)c1O ZINC000808715188 1135720094 /nfs/dbraw/zinc/72/00/94/1135720094.db2.gz BGCLDIKOHVHEFU-HUUCEWRRSA-N 2 1 340.895 3.506 20 10 EHCDMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc(C(F)(F)F)cc1O ZINC000810216383 1135938860 /nfs/dbraw/zinc/93/88/60/1135938860.db2.gz IRBKMTQYKSUTFS-SWLSCSKDSA-N 2 1 330.394 3.794 20 10 EHCDMP COc1cccc([C@H](C)[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1O ZINC000846166120 1137337315 /nfs/dbraw/zinc/33/73/15/1137337315.db2.gz SUFCJTYHHYZMKM-PMPSAXMXSA-N 2 1 332.488 3.704 20 10 EHCDMP COc1cccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1O ZINC000846166119 1137337486 /nfs/dbraw/zinc/33/74/86/1137337486.db2.gz SUFCJTYHHYZMKM-OWCLPIDISA-N 2 1 332.488 3.704 20 10 EHCDMP CC[C@H](C)OCC[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccc2O)CC1 ZINC001172339555 1137552165 /nfs/dbraw/zinc/55/21/65/1137552165.db2.gz UYPHSWSVTRNGQD-SJORKVTESA-N 2 1 334.504 3.540 20 10 EHCDMP Oc1c(F)cc(F)cc1C[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000882881208 1137836566 /nfs/dbraw/zinc/83/65/66/1137836566.db2.gz CHJQAQJVKPSVPI-UHFFFAOYSA-N 2 1 346.421 3.946 20 10 EHCDMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000152384902 1139088300 /nfs/dbraw/zinc/08/83/00/1139088300.db2.gz YEIFFRBBNYANTO-IRXDYDNUSA-N 2 1 345.506 3.951 20 10 EHCDMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1)c1cc(F)ccc1O ZINC000359874310 1027864180 /nfs/dbraw/zinc/86/41/80/1027864180.db2.gz RFPFCDWPSHWPCC-NBQZKYEYSA-N 2 1 328.431 3.875 20 10 EHCDMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(N2CCCCCC2)cc1 ZINC000271847155 1029198639 /nfs/dbraw/zinc/19/86/39/1029198639.db2.gz IBWBAJZEARTNCF-GOSISDBHSA-N 2 1 327.516 3.980 20 10 EHCDMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(N(C)C)cc2)[C@@H](C)C1 ZINC000248183254 1040715943 /nfs/dbraw/zinc/71/59/43/1040715943.db2.gz WWJSXRCRFGDMCE-WFXMLNOXSA-N 2 1 347.547 3.540 20 10 EHCDMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(F)cc1O ZINC000185337392 1126868458 /nfs/dbraw/zinc/86/84/58/1126868458.db2.gz HEAUSTMKLIGOFU-WMZOPIPTSA-N 2 1 342.458 3.747 20 10 EHCDMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(F)cc1O ZINC000185337392 1126868462 /nfs/dbraw/zinc/86/84/62/1126868462.db2.gz HEAUSTMKLIGOFU-WMZOPIPTSA-N 2 1 342.458 3.747 20 10 EHCDMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(N2CCCCC2)cc1 ZINC000764963299 1127559915 /nfs/dbraw/zinc/55/99/15/1127559915.db2.gz CKABODVOHMHAIL-YYWHXJBOSA-N 2 1 327.516 3.954 20 10 EHCDMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(N2CCCCC2)cc1 ZINC000764963299 1127559919 /nfs/dbraw/zinc/55/99/19/1127559919.db2.gz CKABODVOHMHAIL-YYWHXJBOSA-N 2 1 327.516 3.954 20 10 EHCDMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(N2CCCCC2)cc1 ZINC000764963298 1127560125 /nfs/dbraw/zinc/56/01/25/1127560125.db2.gz CKABODVOHMHAIL-WMQCIHAUSA-N 2 1 327.516 3.954 20 10 EHCDMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(N2CCCCC2)cc1 ZINC000764963298 1127560129 /nfs/dbraw/zinc/56/01/29/1127560129.db2.gz CKABODVOHMHAIL-WMQCIHAUSA-N 2 1 327.516 3.954 20 10 EHCDMP CCOCc1cc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)ccc1OC ZINC001177950079 1133120637 /nfs/dbraw/zinc/12/06/37/1133120637.db2.gz UWCNZZKUJWKCMW-UHFFFAOYSA-N 2 1 346.515 3.728 20 10 EHCDMP CCN(CC)c1ccc(C[NH2+]C2CC([NH+]3CCCCC3)C2)cc1F ZINC000793335145 1134907245 /nfs/dbraw/zinc/90/72/45/1134907245.db2.gz CRHSLVJUOVWZGP-UHFFFAOYSA-N 2 1 333.495 3.778 20 10 EHCDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cc(C(C)C)c(C)cc2O)C1 ZINC000747469340 1135638588 /nfs/dbraw/zinc/63/85/88/1135638588.db2.gz DSEZNJHPAGGPPT-IBGZPJMESA-N 2 1 348.531 3.757 20 10 EHCDMP CCN(CC)c1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)cc1F ZINC000809767402 1135879318 /nfs/dbraw/zinc/87/93/18/1135879318.db2.gz JYVJMLLHKBIOFR-IEBWSBKVSA-N 2 1 333.495 3.588 20 10 EHCDMP CCN(CC)c1ccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1F ZINC000809767402 1135879320 /nfs/dbraw/zinc/87/93/20/1135879320.db2.gz JYVJMLLHKBIOFR-IEBWSBKVSA-N 2 1 333.495 3.588 20 10 EHCDMP CCN(CC)c1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cc1F ZINC000809767402 1135879323 /nfs/dbraw/zinc/87/93/23/1135879323.db2.gz JYVJMLLHKBIOFR-IEBWSBKVSA-N 2 1 333.495 3.588 20 10 EHCDMP COc1cc(C[NH2+]CCCCn2cc[nH+]c2C)c(O)c(C(C)(C)C)c1 ZINC000850156947 1136215773 /nfs/dbraw/zinc/21/57/73/1136215773.db2.gz KSUPRGYGVPOTDY-UHFFFAOYSA-N 2 1 345.487 3.773 20 10 EHCDMP C[N@H+]1CCC[C@H](C[NH2+][C@@H](CCc2ccccc2)c2ccccc2O)C1 ZINC000815578240 1136613624 /nfs/dbraw/zinc/61/36/24/1136613624.db2.gz KGBMLPNSHCLWFO-CTNGQTDRSA-N 2 1 338.495 3.998 20 10 EHCDMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816535365 1136730665 /nfs/dbraw/zinc/73/06/65/1136730665.db2.gz MWQROYSNCLXFEM-CYBMUJFWSA-N 2 1 328.859 3.786 20 10 EHCDMP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2cc(Cl)c(F)cc2O)cc1 ZINC000816610164 1136741054 /nfs/dbraw/zinc/74/10/54/1136741054.db2.gz AANILRXNELBSSJ-UHFFFAOYSA-N 2 1 336.838 3.878 20 10 EHCDMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2cc(Cl)c(F)cc2O)cc1 ZINC000816610164 1136741058 /nfs/dbraw/zinc/74/10/58/1136741058.db2.gz AANILRXNELBSSJ-UHFFFAOYSA-N 2 1 336.838 3.878 20 10 EHCDMP Nc1ccc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)cc1 ZINC000817957346 1136851703 /nfs/dbraw/zinc/85/17/03/1136851703.db2.gz LCKRVBOPWMMDMS-ZLNRFVROSA-N 2 1 349.522 3.844 20 10 EHCDMP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ccc(Br)cc1O ZINC000858490630 1136973070 /nfs/dbraw/zinc/97/30/70/1136973070.db2.gz KYTLAIRDMZHSPK-QWHCGFSZSA-N 2 1 341.293 3.537 20 10 EHCDMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc(Br)cc1O ZINC000858490630 1136973073 /nfs/dbraw/zinc/97/30/73/1136973073.db2.gz KYTLAIRDMZHSPK-QWHCGFSZSA-N 2 1 341.293 3.537 20 10 EHCDMP CC1(C)C[C@H]([NH2+]Cc2ccc(O)cc2O)CC[N@H+]1Cc1ccccc1 ZINC001171984677 1137527531 /nfs/dbraw/zinc/52/75/31/1137527531.db2.gz XLJLMLXXTNZKPN-GOSISDBHSA-N 2 1 340.467 3.631 20 10 EHCDMP C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311025305 1033216319 /nfs/dbraw/zinc/21/63/19/1033216319.db2.gz CAEJPLFBBKXWBC-RXVVDRJESA-N 2 1 337.511 3.753 20 10 EHCDMP COc1cc(C[N@H+](C)CCCn2cc[nH+]c2C)c(O)c(C(C)(C)C)c1 ZINC000164539259 1035656634 /nfs/dbraw/zinc/65/66/34/1035656634.db2.gz BCPWKFGPXOTIEP-UHFFFAOYSA-N 2 1 345.487 3.725 20 10 EHCDMP COc1cc(C[N@@H+](C)CCCn2cc[nH+]c2C)c(O)c(C(C)(C)C)c1 ZINC000164539259 1035656650 /nfs/dbraw/zinc/65/66/50/1035656650.db2.gz BCPWKFGPXOTIEP-UHFFFAOYSA-N 2 1 345.487 3.725 20 10 EHCDMP CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000153473549 1121197557 /nfs/dbraw/zinc/19/75/57/1121197557.db2.gz YLNMKLIBLJUUFU-SFHVURJKSA-N 2 1 346.515 3.846 20 10 EHCDMP CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000153473549 1121197562 /nfs/dbraw/zinc/19/75/62/1121197562.db2.gz YLNMKLIBLJUUFU-SFHVURJKSA-N 2 1 346.515 3.846 20 10 EHCDMP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccc(N(C)C)cc3)C2)CC1 ZINC000769147966 1133235210 /nfs/dbraw/zinc/23/52/10/1133235210.db2.gz KBGAKACISIZIEN-HXUWFJFHSA-N 2 1 329.532 3.697 20 10 EHCDMP CCN(CC)c1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000769466918 1133296868 /nfs/dbraw/zinc/29/68/68/1133296868.db2.gz PDWMAOLFPRSHSR-HXUWFJFHSA-N 2 1 329.532 3.983 20 10 EHCDMP CC[N@@H+](CCC1CC[NH+](Cc2c(O)cccc2OC)CC1)CC1CC1 ZINC000770591540 1133448793 /nfs/dbraw/zinc/44/87/93/1133448793.db2.gz LKKQFTLWWXIANW-UHFFFAOYSA-N 2 1 346.515 3.735 20 10 EHCDMP CN(C)c1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@]3(C)C2)cc1 ZINC001197589830 1135711892 /nfs/dbraw/zinc/71/18/92/1135711892.db2.gz NUPYCLXMUJGYTK-GGAORHGYSA-N 2 1 349.522 3.707 20 10 EHCDMP CN(C)c1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@]3(C)C2)cc1 ZINC001197589830 1135711897 /nfs/dbraw/zinc/71/18/97/1135711897.db2.gz NUPYCLXMUJGYTK-GGAORHGYSA-N 2 1 349.522 3.707 20 10 EHCDMP CN(C)c1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@@]3(C)C2)cc1 ZINC001197589830 1135711901 /nfs/dbraw/zinc/71/19/01/1135711901.db2.gz NUPYCLXMUJGYTK-GGAORHGYSA-N 2 1 349.522 3.707 20 10 EHCDMP CN(C)c1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@@]3(C)C2)cc1 ZINC001197589830 1135711904 /nfs/dbraw/zinc/71/19/04/1135711904.db2.gz NUPYCLXMUJGYTK-GGAORHGYSA-N 2 1 349.522 3.707 20 10 EHCDMP CC[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(C(F)(F)F)cc1O ZINC000810229811 1135941479 /nfs/dbraw/zinc/94/14/79/1135941479.db2.gz KYPFNPWLKDSRCC-HNNXBMFYSA-N 2 1 328.378 3.714 20 10 EHCDMP Cc1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)ccc1N(C)C ZINC000815074189 1136547480 /nfs/dbraw/zinc/54/74/80/1136547480.db2.gz LDUONBXRLRHGPX-RXVVDRJESA-N 2 1 327.516 3.510 20 10 EHCDMP Cc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)ccc1N(C)C ZINC000815074189 1136547482 /nfs/dbraw/zinc/54/74/82/1136547482.db2.gz LDUONBXRLRHGPX-RXVVDRJESA-N 2 1 327.516 3.510 20 10 EHCDMP Cc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)ccc1N(C)C ZINC000815074189 1136547485 /nfs/dbraw/zinc/54/74/85/1136547485.db2.gz LDUONBXRLRHGPX-RXVVDRJESA-N 2 1 327.516 3.510 20 10 EHCDMP Oc1c(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)ccc2ccccc21 ZINC000816521256 1136727084 /nfs/dbraw/zinc/72/70/84/1136727084.db2.gz KRMPHLQOUIKEAU-UWJYYQICSA-N 2 1 336.479 3.994 20 10 EHCDMP CC1(C)C[C@@H]([NH2+]Cc2cccc(O)c2O)CC[N@H+]1Cc1ccccc1 ZINC001171977215 1137525198 /nfs/dbraw/zinc/52/51/98/1137525198.db2.gz YYOLBHZZHUXNMT-SFHVURJKSA-N 2 1 340.467 3.631 20 10 EHCDMP COc1cc(Cl)cc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1O ZINC000184696581 1140115718 /nfs/dbraw/zinc/11/57/18/1140115718.db2.gz BHJQZHJGGPTBPS-INIZCTEOSA-N 2 1 338.879 3.505 20 10 EHCDMP COc1cc(Cl)cc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1O ZINC000184696581 1140115720 /nfs/dbraw/zinc/11/57/20/1140115720.db2.gz BHJQZHJGGPTBPS-INIZCTEOSA-N 2 1 338.879 3.505 20 10 EHCDMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(N4CCCCC4)cc3)CC[C@H]21 ZINC000247301992 1020019054 /nfs/dbraw/zinc/01/90/54/1020019054.db2.gz ZSTLXXFMJRWWMP-TZIWHRDSSA-N 2 1 327.516 3.593 20 10 EHCDMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(N4CCCCC4)cc3)CC[C@H]21 ZINC000247301992 1020019065 /nfs/dbraw/zinc/01/90/65/1020019065.db2.gz ZSTLXXFMJRWWMP-TZIWHRDSSA-N 2 1 327.516 3.593 20 10 EHCDMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(N4CCCCC4)cc3)CC[C@H]21 ZINC000247301992 1020019078 /nfs/dbraw/zinc/01/90/78/1020019078.db2.gz ZSTLXXFMJRWWMP-TZIWHRDSSA-N 2 1 327.516 3.593 20 10 EHCDMP CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000172957368 1033047036 /nfs/dbraw/zinc/04/70/36/1033047036.db2.gz GJRXOJXEGZIYCZ-INIZCTEOSA-N 2 1 346.515 3.703 20 10 EHCDMP CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000172957368 1033047048 /nfs/dbraw/zinc/04/70/48/1033047048.db2.gz GJRXOJXEGZIYCZ-INIZCTEOSA-N 2 1 346.515 3.703 20 10 EHCDMP CC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1)c1ccc(N(C)C)cc1 ZINC000126394290 1029717203 /nfs/dbraw/zinc/71/72/03/1029717203.db2.gz JOJRVKGXDAKGSM-HXUWFJFHSA-N 2 1 349.482 3.883 20 10 EHCDMP Cc1cc(CC[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c(C)n1-c1ccccc1 ZINC000764716047 1127525277 /nfs/dbraw/zinc/52/52/77/1127525277.db2.gz GOMITFPOVOSDHR-UZLBHIALSA-N 2 1 325.500 3.709 20 10 EHCDMP CN(C)c1ccc(C[NH2+]CCC[N@@H+](C)Cc2ccccc2)cc1F ZINC000733322274 1131024679 /nfs/dbraw/zinc/02/46/79/1131024679.db2.gz FUHXXXHEOBNUAK-UHFFFAOYSA-N 2 1 329.463 3.503 20 10 EHCDMP CC1CC[NH+](CC[C@@H]2CCC[N@H+]2Cc2ccc(N(C)C)cc2)CC1 ZINC001175351444 1132645225 /nfs/dbraw/zinc/64/52/25/1132645225.db2.gz MGGORKWXQPDXGW-NRFANRHFSA-N 2 1 329.532 3.839 20 10 EHCDMP CCOc1ccc(O)c(C[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000769149007 1133235049 /nfs/dbraw/zinc/23/50/49/1133235049.db2.gz WUTABHWLPLUVDB-GOSISDBHSA-N 2 1 346.515 3.735 20 10 EHCDMP CCC[NH+]1CCC([NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)CC1 ZINC000793043981 1134841732 /nfs/dbraw/zinc/84/17/32/1134841732.db2.gz RBPLWTMZYWPBKE-UHFFFAOYSA-N 2 1 343.437 3.735 20 10 EHCDMP Cc1cc(Cl)cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1O ZINC000775740348 1135598898 /nfs/dbraw/zinc/59/88/98/1135598898.db2.gz VGXGBWKSPJOHQP-KBXCAEBGSA-N 2 1 334.891 3.803 20 10 EHCDMP CCN(C)c1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000853239248 1136521023 /nfs/dbraw/zinc/52/10/23/1136521023.db2.gz CVASQHFETAXGTJ-PKOBYXMFSA-N 2 1 329.532 3.915 20 10 EHCDMP Cc1ccc(O)c(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000858238710 1136951687 /nfs/dbraw/zinc/95/16/87/1136951687.db2.gz CBTAWQBIUOOMSK-FQEVSTJZSA-N 2 1 336.479 3.987 20 10 EHCDMP Cc1ccc(O)c(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000858238710 1136951688 /nfs/dbraw/zinc/95/16/88/1136951688.db2.gz CBTAWQBIUOOMSK-FQEVSTJZSA-N 2 1 336.479 3.987 20 10 EHCDMP COc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000824863439 1137155002 /nfs/dbraw/zinc/15/50/02/1137155002.db2.gz QPVKFEQHFZSSOC-GDBMZVCRSA-N 2 1 334.504 3.613 20 10 EHCDMP COc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000824863439 1137155003 /nfs/dbraw/zinc/15/50/03/1137155003.db2.gz QPVKFEQHFZSSOC-GDBMZVCRSA-N 2 1 334.504 3.613 20 10 EHCDMP COc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000824863439 1137155005 /nfs/dbraw/zinc/15/50/05/1137155005.db2.gz QPVKFEQHFZSSOC-GDBMZVCRSA-N 2 1 334.504 3.613 20 10 EHCDMP COc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000824863439 1137155006 /nfs/dbraw/zinc/15/50/06/1137155006.db2.gz QPVKFEQHFZSSOC-GDBMZVCRSA-N 2 1 334.504 3.613 20 10 EHCDMP CC[C@@H](C)OCC[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccc2O)CC1 ZINC001172339551 1137552259 /nfs/dbraw/zinc/55/22/59/1137552259.db2.gz UYPHSWSVTRNGQD-IAGOWNOFSA-N 2 1 334.504 3.540 20 10 EHCDMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cccc(OCC)c2O)CC1 ZINC000134160291 1137943926 /nfs/dbraw/zinc/94/39/26/1137943926.db2.gz OEIYDYQCAZAMNP-UHFFFAOYSA-N 2 1 334.504 3.735 20 10 EHCDMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(N2CCCCC2)cc1 ZINC000119715473 1137943945 /nfs/dbraw/zinc/94/39/45/1137943945.db2.gz ADIKPJMVFQHKEJ-QGZVFWFLSA-N 2 1 327.516 3.954 20 10 EHCDMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc(Br)cc1O ZINC000834910731 1021128618 /nfs/dbraw/zinc/12/86/18/1021128618.db2.gz YSMIRBZTBUAOLO-LBPRGKRZSA-N 2 1 341.293 3.680 20 10 EHCDMP Oc1ccccc1[C@H](CCc1ccccc1)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530215679 1025509444 /nfs/dbraw/zinc/50/94/44/1025509444.db2.gz HUZDTOYOWFHSNQ-FPOVZHCZSA-N 2 1 336.479 3.940 20 10 EHCDMP Oc1cccc(F)c1C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000896644658 1025779052 /nfs/dbraw/zinc/77/90/52/1025779052.db2.gz YPKCVLWDVVZOMJ-BZSNNMDCSA-N 2 1 340.442 3.674 20 10 EHCDMP Oc1cccc(F)c1C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000896644658 1025779072 /nfs/dbraw/zinc/77/90/72/1025779072.db2.gz YPKCVLWDVVZOMJ-BZSNNMDCSA-N 2 1 340.442 3.674 20 10 EHCDMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1ccccc1O ZINC000174451728 1033940848 /nfs/dbraw/zinc/94/08/48/1033940848.db2.gz OCGFCDHHCHCMAF-UHFFFAOYSA-N 2 1 336.435 3.907 20 10 EHCDMP COc1ccc(N2CCC([NH2+]CC3([NH+](C)C)CCCCC3)CC2)cc1 ZINC000764593812 1127511651 /nfs/dbraw/zinc/51/16/51/1127511651.db2.gz GXKRIRNPPJAOEG-UHFFFAOYSA-N 2 1 345.531 3.518 20 10 EHCDMP C[C@]1(C[NH2+]Cc2cc(F)ccc2O)CC[N@@H+](Cc2ccccc2)C1 ZINC000379772890 1132518604 /nfs/dbraw/zinc/51/86/04/1132518604.db2.gz RXBVFVULUJZELO-HXUWFJFHSA-N 2 1 328.431 3.533 20 10 EHCDMP Oc1cc2c(cc1C[N@H+]1CCC[C@@H]([NH+]3CCCC3)CC1)CCCC2 ZINC000768448826 1133140712 /nfs/dbraw/zinc/14/07/12/1133140712.db2.gz XTYQASCOVSEHJZ-HXUWFJFHSA-N 2 1 328.500 3.721 20 10 EHCDMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000769514985 1133306747 /nfs/dbraw/zinc/30/67/47/1133306747.db2.gz MZBSPYWGRGCWMK-NRFANRHFSA-N 2 1 341.543 3.841 20 10 EHCDMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000769514985 1133306752 /nfs/dbraw/zinc/30/67/52/1133306752.db2.gz MZBSPYWGRGCWMK-NRFANRHFSA-N 2 1 341.543 3.841 20 10 EHCDMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000769514985 1133306761 /nfs/dbraw/zinc/30/67/61/1133306761.db2.gz MZBSPYWGRGCWMK-NRFANRHFSA-N 2 1 341.543 3.841 20 10 EHCDMP Oc1c(F)cccc1C[NH2+]CCC1CC[NH+](Cc2ccccc2)CC1 ZINC001183145447 1133770968 /nfs/dbraw/zinc/77/09/68/1133770968.db2.gz JWGOAHJQKKRJIA-UHFFFAOYSA-N 2 1 342.458 3.923 20 10 EHCDMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(N2CCCCCC2)cc1 ZINC000788257260 1134101666 /nfs/dbraw/zinc/10/16/66/1134101666.db2.gz LIPWVTLHRDUJNJ-KRWDZBQOSA-N 2 1 326.488 3.694 20 10 EHCDMP CC[NH+](CC)CC1CC[NH+](Cc2c(O)ccc(Cl)c2F)CC1 ZINC000792162970 1134661657 /nfs/dbraw/zinc/66/16/57/1134661657.db2.gz TUWSBRJKWFFZQN-UHFFFAOYSA-N 2 1 328.859 3.739 20 10 EHCDMP C[N@@H+](Cc1ccc(Cl)s1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775645711 1135388693 /nfs/dbraw/zinc/38/86/93/1135388693.db2.gz FXUOGJBQOIBZBD-UHFFFAOYSA-N 2 1 349.931 3.785 20 10 EHCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H]3c3ccccc3)cc2)CC1 ZINC000775645416 1135392436 /nfs/dbraw/zinc/39/24/36/1135392436.db2.gz KUUXUKJSQLIJAZ-QFIPXVFZSA-N 2 1 335.495 3.776 20 10 EHCDMP COc1ccc(O)c(C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)c1 ZINC000775734453 1135588567 /nfs/dbraw/zinc/58/85/67/1135588567.db2.gz QFJWGHUTRZAGOI-KRWDZBQOSA-N 2 1 346.515 3.877 20 10 EHCDMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(N(C)C)cc1 ZINC000853241077 1136521528 /nfs/dbraw/zinc/52/15/28/1136521528.db2.gz UGJWCAGMNXFNAI-RXVVDRJESA-N 2 1 329.532 3.915 20 10 EHCDMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCc2ccc(N)cc2)CC1 ZINC000817957947 1136852162 /nfs/dbraw/zinc/85/21/62/1136852162.db2.gz REYRCUAYXICZKF-UHFFFAOYSA-N 2 1 337.511 3.844 20 10 EHCDMP CC(C)[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)Cc1ccc(N(C)C)cc1 ZINC000824566868 1137143152 /nfs/dbraw/zinc/14/31/52/1137143152.db2.gz ORIZBYDXZAYUDE-UHFFFAOYSA-N 2 1 349.482 3.744 20 10 EHCDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cc(Cl)c3cccnc3c1[O-])C2 ZINC001172104633 1137536401 /nfs/dbraw/zinc/53/64/01/1137536401.db2.gz DPFJAQOSPPXBKM-QDMKHBRRSA-N 2 1 345.874 3.699 20 10 EHCDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cc(Cl)c3cccnc3c1O)C2 ZINC001172104633 1137536405 /nfs/dbraw/zinc/53/64/05/1137536405.db2.gz DPFJAQOSPPXBKM-QDMKHBRRSA-N 2 1 345.874 3.699 20 10 EHCDMP COc1cccc(C[N@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)c1O ZINC000873232250 1137594575 /nfs/dbraw/zinc/59/45/75/1137594575.db2.gz NSYOMCCGLUCDRL-MAUKXSAKSA-N 2 1 332.488 3.520 20 10 EHCDMP COc1cc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c(O)c(C(C)(C)C)c1 ZINC000825699292 1137607378 /nfs/dbraw/zinc/60/73/78/1137607378.db2.gz SZTXSKWMWQQJSM-MRXNPFEDSA-N 2 1 334.504 3.614 20 10 EHCDMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]Cc1cc(F)cc(F)c1O ZINC000882889281 1137837007 /nfs/dbraw/zinc/83/70/07/1137837007.db2.gz WCDCNFFIOYOBNI-UHFFFAOYSA-N 2 1 334.410 3.800 20 10 EHCDMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1cc(F)cc(F)c1O ZINC000882889281 1137837008 /nfs/dbraw/zinc/83/70/08/1137837008.db2.gz WCDCNFFIOYOBNI-UHFFFAOYSA-N 2 1 334.410 3.800 20 10 EHCDMP C[C@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)c1ccc(F)cc1O ZINC000185336910 1140145752 /nfs/dbraw/zinc/14/57/52/1140145752.db2.gz JIVUVGNROGIAAA-HNNXBMFYSA-N 2 1 346.446 3.713 20 10 EHCDMP Cc1ccc(O)c(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)c1 ZINC000895391995 1024459567 /nfs/dbraw/zinc/45/95/67/1024459567.db2.gz IXCFXAVYWFIJFB-JBACZVJFSA-N 2 1 336.479 3.843 20 10 EHCDMP CC1([NH+]2CCC2)CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000895669732 1024714670 /nfs/dbraw/zinc/71/46/70/1024714670.db2.gz AUJUJZVABUITJN-UHFFFAOYSA-N 2 1 327.516 3.737 20 10 EHCDMP Oc1ccccc1[C@@H](CCc1ccccc1)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530215681 1025510999 /nfs/dbraw/zinc/51/09/99/1025510999.db2.gz HUZDTOYOWFHSNQ-TZIWHRDSSA-N 2 1 336.479 3.940 20 10 EHCDMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1)c1cc(F)ccc1O ZINC000359874311 1027862028 /nfs/dbraw/zinc/86/20/28/1027862028.db2.gz RFPFCDWPSHWPCC-UVFQYZLESA-N 2 1 328.431 3.875 20 10 EHCDMP COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c1 ZINC000359879024 1027866003 /nfs/dbraw/zinc/86/60/03/1027866003.db2.gz YYVNJXBPSOXZMU-WJPUGNRLSA-N 2 1 340.467 3.744 20 10 EHCDMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000173449092 1033338526 /nfs/dbraw/zinc/33/85/26/1033338526.db2.gz WLQKXEVWLISXCY-HNNXBMFYSA-N 2 1 334.504 3.559 20 10 EHCDMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000173449092 1033338534 /nfs/dbraw/zinc/33/85/34/1033338534.db2.gz WLQKXEVWLISXCY-HNNXBMFYSA-N 2 1 334.504 3.559 20 10 EHCDMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000173449092 1033338543 /nfs/dbraw/zinc/33/85/43/1033338543.db2.gz WLQKXEVWLISXCY-HNNXBMFYSA-N 2 1 334.504 3.559 20 10 EHCDMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000173449092 1033338548 /nfs/dbraw/zinc/33/85/48/1033338548.db2.gz WLQKXEVWLISXCY-HNNXBMFYSA-N 2 1 334.504 3.559 20 10 EHCDMP CC[C@@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccccc1O ZINC000155628003 1040830140 /nfs/dbraw/zinc/83/01/40/1040830140.db2.gz DAMRAHLZLPEIEH-TZIWHRDSSA-N 2 1 338.495 3.998 20 10 EHCDMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cc(Br)ccc1O ZINC000044534531 1040977726 /nfs/dbraw/zinc/97/77/26/1040977726.db2.gz IINPGTBMAFFWDO-WFASDCNBSA-N 2 1 341.293 3.537 20 10 EHCDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000185346779 1126874287 /nfs/dbraw/zinc/87/42/87/1126874287.db2.gz LRTUPBPJVYLEQX-HUUCEWRRSA-N 2 1 327.472 3.763 20 10 EHCDMP C[C@@H](c1cccs1)[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775648924 1135405183 /nfs/dbraw/zinc/40/51/83/1135405183.db2.gz HYNCEIRIJNHAGB-INIZCTEOSA-N 2 1 329.513 3.693 20 10 EHCDMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000809767461 1135879555 /nfs/dbraw/zinc/87/95/55/1135879555.db2.gz LNYZZSDUHYVQHM-TZIWHRDSSA-N 2 1 336.479 3.975 20 10 EHCDMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000809767461 1135879557 /nfs/dbraw/zinc/87/95/57/1135879557.db2.gz LNYZZSDUHYVQHM-TZIWHRDSSA-N 2 1 336.479 3.975 20 10 EHCDMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000809767461 1135879560 /nfs/dbraw/zinc/87/95/60/1135879560.db2.gz LNYZZSDUHYVQHM-TZIWHRDSSA-N 2 1 336.479 3.975 20 10 EHCDMP COc1cc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)c(O)c(C(C)(C)C)c1 ZINC000850097258 1136210534 /nfs/dbraw/zinc/21/05/34/1136210534.db2.gz VXQMDBZZSOHZPG-OAHLLOKOSA-N 2 1 334.504 3.518 20 10 EHCDMP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1cc(Cl)c(Cl)cc1O ZINC000817987849 1136855365 /nfs/dbraw/zinc/85/53/65/1136855365.db2.gz YUNRVLHSVCHIRP-IRCOFANPSA-N 2 1 329.271 3.738 20 10 EHCDMP CN(Cc1cccs1)c1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000823840916 1137115754 /nfs/dbraw/zinc/11/57/54/1137115754.db2.gz DEZVGBVCXTVUGA-SFHVURJKSA-N 2 1 343.540 3.816 20 10 EHCDMP Cc1cccc(O)c1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000877485488 1137678030 /nfs/dbraw/zinc/67/80/30/1137678030.db2.gz WBWSQDHLNRIWPE-UHFFFAOYSA-N 2 1 325.456 3.613 20 10 EHCDMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2c(O)ccc3ccc(OC)cc32)C1 ZINC000173432550 1033331635 /nfs/dbraw/zinc/33/16/35/1033331635.db2.gz IMJPRSUENDMDBE-MRXNPFEDSA-N 2 1 342.483 3.718 20 10 EHCDMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000769514988 1133307404 /nfs/dbraw/zinc/30/74/04/1133307404.db2.gz MZBSPYWGRGCWMK-OAQYLSRUSA-N 2 1 341.543 3.841 20 10 EHCDMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000769514988 1133307410 /nfs/dbraw/zinc/30/74/10/1133307410.db2.gz MZBSPYWGRGCWMK-OAQYLSRUSA-N 2 1 341.543 3.841 20 10 EHCDMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000769514988 1133307417 /nfs/dbraw/zinc/30/74/17/1133307417.db2.gz MZBSPYWGRGCWMK-OAQYLSRUSA-N 2 1 341.543 3.841 20 10 EHCDMP CC[N@@H+](CCC1CC[NH+](Cc2cccc(OC)c2O)CC1)CC1CC1 ZINC000770598250 1133449473 /nfs/dbraw/zinc/44/94/73/1133449473.db2.gz YUPZCTVKBZBBTP-UHFFFAOYSA-N 2 1 346.515 3.735 20 10 EHCDMP C[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775701887 1135539248 /nfs/dbraw/zinc/53/92/48/1135539248.db2.gz OHUVFLGSJSFSFS-YFVAEKQCSA-N 2 1 327.516 3.591 20 10 EHCDMP Cc1cc(Cl)cc([C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)c1O ZINC000808715189 1135719859 /nfs/dbraw/zinc/71/98/59/1135719859.db2.gz BGCLDIKOHVHEFU-LSDHHAIUSA-N 2 1 340.895 3.506 20 10 EHCDMP Cc1cc(Cl)cc([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)c1O ZINC000808715189 1135719861 /nfs/dbraw/zinc/71/98/61/1135719861.db2.gz BGCLDIKOHVHEFU-LSDHHAIUSA-N 2 1 340.895 3.506 20 10 EHCDMP CCOc1ccc(O)c(C[N@@H+](CC)Cc2ccc(C[NH+](C)C)cc2)c1 ZINC000809739288 1135883685 /nfs/dbraw/zinc/88/36/85/1135883685.db2.gz FPZCPCCDXRRNCR-UHFFFAOYSA-N 2 1 342.483 3.875 20 10 EHCDMP CN(Cc1cccs1)c1ccc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000823447042 1137099843 /nfs/dbraw/zinc/09/98/43/1137099843.db2.gz BRDIHJJRQLMOJZ-GOSISDBHSA-N 2 1 343.540 3.768 20 10 EHCDMP COc1cccc(C[N@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)c1O ZINC000873232248 1137594595 /nfs/dbraw/zinc/59/45/95/1137594595.db2.gz NSYOMCCGLUCDRL-CRAIPNDOSA-N 2 1 332.488 3.520 20 10 EHCDMP CC[C@@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)c1cc(Br)ccc1O ZINC000037644086 522866742 /nfs/dbraw/zinc/86/67/42/522866742.db2.gz RHZLUOHKCQRDTP-IUODEOHRSA-N 2 1 341.293 3.537 20 10 EHCDMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(N2CCCCC2)cc1 ZINC000764963287 1127559809 /nfs/dbraw/zinc/55/98/09/1127559809.db2.gz CKABODVOHMHAIL-DZFGPLHGSA-N 2 1 327.516 3.954 20 10 EHCDMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(N2CCCCC2)cc1 ZINC000764963287 1127559813 /nfs/dbraw/zinc/55/98/13/1127559813.db2.gz CKABODVOHMHAIL-DZFGPLHGSA-N 2 1 327.516 3.954 20 10 EHCDMP Cc1cc(O)c(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cc1C ZINC000743401539 1131913456 /nfs/dbraw/zinc/91/34/56/1131913456.db2.gz BUSNNVNTLLLPQU-FQEVSTJZSA-N 2 1 338.495 3.963 20 10 EHCDMP Cc1cc(O)c(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1C ZINC000743401539 1131913459 /nfs/dbraw/zinc/91/34/59/1131913459.db2.gz BUSNNVNTLLLPQU-FQEVSTJZSA-N 2 1 338.495 3.963 20 10 EHCDMP Cc1cc(O)c(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1C ZINC000743401539 1131913465 /nfs/dbraw/zinc/91/34/65/1131913465.db2.gz BUSNNVNTLLLPQU-FQEVSTJZSA-N 2 1 338.495 3.963 20 10 EHCDMP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790947734 1134483055 /nfs/dbraw/zinc/48/30/55/1134483055.db2.gz AHMFJQSYHHGVEJ-ZDUSSCGKSA-N 2 1 328.859 3.929 20 10 EHCDMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790947734 1134483058 /nfs/dbraw/zinc/48/30/58/1134483058.db2.gz AHMFJQSYHHGVEJ-ZDUSSCGKSA-N 2 1 328.859 3.929 20 10 EHCDMP CN(C)c1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)c(C(F)(F)F)c1 ZINC000792812657 1134794863 /nfs/dbraw/zinc/79/48/63/1134794863.db2.gz LOYZAONBYINEJL-UHFFFAOYSA-N 2 1 343.437 3.545 20 10 EHCDMP CCN(CC)c1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)cc1F ZINC000809767403 1135879804 /nfs/dbraw/zinc/87/98/04/1135879804.db2.gz JYVJMLLHKBIOFR-MJGOQNOKSA-N 2 1 333.495 3.588 20 10 EHCDMP CCN(CC)c1ccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1F ZINC000809767403 1135879808 /nfs/dbraw/zinc/87/98/08/1135879808.db2.gz JYVJMLLHKBIOFR-MJGOQNOKSA-N 2 1 333.495 3.588 20 10 EHCDMP CCN(CC)c1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cc1F ZINC000809767403 1135879812 /nfs/dbraw/zinc/87/98/12/1135879812.db2.gz JYVJMLLHKBIOFR-MJGOQNOKSA-N 2 1 333.495 3.588 20 10 EHCDMP CC[C@@H]([NH2+]CCn1cc[nH+]c1C)c1ccc(C(F)(F)F)cc1O ZINC000810215546 1135938546 /nfs/dbraw/zinc/93/85/46/1135938546.db2.gz ZDDJDRYPIFNTBK-CQSZACIVSA-N 2 1 327.350 3.657 20 10 EHCDMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cc(Br)ccc1O ZINC000858490946 1136972844 /nfs/dbraw/zinc/97/28/44/1136972844.db2.gz SYZKACALRYLDEN-OLZOCXBDSA-N 2 1 341.293 3.537 20 10 EHCDMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(N(C)Cc3cccs3)cc2)CC[N@H+]1C ZINC000823955396 1137119149 /nfs/dbraw/zinc/11/91/49/1137119149.db2.gz KPYBWLVWBULAAF-SJLPKXTDSA-N 2 1 343.540 3.957 20 10 EHCDMP COc1cccc([C@H](C)[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c1O ZINC000846136657 1137338176 /nfs/dbraw/zinc/33/81/76/1137338176.db2.gz IVEPFCOCMWBULZ-INIZCTEOSA-N 2 1 340.467 3.716 20 10 EHCDMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(Br)cc2O)C1 ZINC000185112652 1140136772 /nfs/dbraw/zinc/13/67/72/1140136772.db2.gz PDWLMVLGEMBVLT-QWHCGFSZSA-N 2 1 341.293 3.537 20 10 EHCDMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(Br)cc2O)C1 ZINC000185112652 1140136775 /nfs/dbraw/zinc/13/67/75/1140136775.db2.gz PDWLMVLGEMBVLT-QWHCGFSZSA-N 2 1 341.293 3.537 20 10 EHCDMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2ccccc2O)cc1F ZINC000183446538 1032171854 /nfs/dbraw/zinc/17/18/54/1032171854.db2.gz LPKPLAJGHAZWAD-ZDUSSCGKSA-N 2 1 325.387 3.876 20 10 EHCDMP Cc1c[nH+]c(NCc2ccc(N3CC[NH+](C)CC3)cc2)c2ccccc12 ZINC001167426226 1019770129 /nfs/dbraw/zinc/77/01/29/1019770129.db2.gz CNFIOHWJFXVTOA-UHFFFAOYSA-N 2 1 346.478 3.907 20 10 EHCDMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](CC)c2ccc(C)cc2O)[C@@H](C)C1 ZINC000280054366 1020039502 /nfs/dbraw/zinc/03/95/02/1020039502.db2.gz JUZXNMPHUFRTPF-SXLOBPIMSA-N 2 1 348.531 3.878 20 10 EHCDMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cc(Br)ccc1O ZINC000044534533 1040976708 /nfs/dbraw/zinc/97/67/08/1040976708.db2.gz IINPGTBMAFFWDO-SWLSCSKDSA-N 2 1 341.293 3.537 20 10 EHCDMP Cc1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c(O)c1 ZINC000185337559 1126869412 /nfs/dbraw/zinc/86/94/12/1126869412.db2.gz VZTOXHUNYUBHKL-ICSRJNTNSA-N 2 1 338.495 3.916 20 10 EHCDMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000764907465 1127548533 /nfs/dbraw/zinc/54/85/33/1127548533.db2.gz HGUYFFZUZODMNO-IBGZPJMESA-N 2 1 347.547 3.686 20 10 EHCDMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000792930699 1134828448 /nfs/dbraw/zinc/82/84/48/1134828448.db2.gz QNSAOQHBYGWINP-CQSZACIVSA-N 2 1 343.437 3.593 20 10 EHCDMP Cc1ccc(C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C2CC2)o1 ZINC000775649853 1135417278 /nfs/dbraw/zinc/41/72/78/1135417278.db2.gz UDAATDAEWGSPKE-UHFFFAOYSA-N 2 1 339.483 3.504 20 10 EHCDMP CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])c1O ZINC000852759244 1136483830 /nfs/dbraw/zinc/48/38/30/1136483830.db2.gz MCCQOEPPMZSZMN-SJKOYZFVSA-N 2 1 338.879 3.588 20 10 EHCDMP CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])c1O ZINC000852759244 1136483834 /nfs/dbraw/zinc/48/38/34/1136483834.db2.gz MCCQOEPPMZSZMN-SJKOYZFVSA-N 2 1 338.879 3.588 20 10 EHCDMP CCN(CC)c1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)cc1F ZINC000817903342 1136844704 /nfs/dbraw/zinc/84/47/04/1136844704.db2.gz NPURUSWJGWYJLD-MOPGFXCFSA-N 2 1 327.447 3.906 20 10 EHCDMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000794698635 1137235615 /nfs/dbraw/zinc/23/56/15/1137235615.db2.gz ICXQURAQWWEZSQ-CQSZACIVSA-N 2 1 343.437 3.591 20 10 EHCDMP CCCOc1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1C ZINC000873050640 1137588836 /nfs/dbraw/zinc/58/88/36/1137588836.db2.gz ZAKUBQGEPSHPAO-FQEVSTJZSA-N 2 1 346.515 3.517 20 10 EHCDMP COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000195133524 1032046595 /nfs/dbraw/zinc/04/65/95/1032046595.db2.gz ZFRAFUZPLGEOIB-WMZOPIPTSA-N 2 1 340.467 3.574 20 10 EHCDMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2c3c(ccc2O)oc2c3CCCC2)C1 ZINC000173491215 1033369615 /nfs/dbraw/zinc/36/96/15/1033369615.db2.gz JGTMJQOGRARIJU-OAHLLOKOSA-N 2 1 342.483 3.791 20 10 EHCDMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2c3c(ccc2O)oc2c3CCCC2)C1 ZINC000173491215 1033369626 /nfs/dbraw/zinc/36/96/26/1033369626.db2.gz JGTMJQOGRARIJU-OAHLLOKOSA-N 2 1 342.483 3.791 20 10 EHCDMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2c3c(ccc2O)oc2c3CCCC2)C1 ZINC000173491215 1033369632 /nfs/dbraw/zinc/36/96/32/1033369632.db2.gz JGTMJQOGRARIJU-OAHLLOKOSA-N 2 1 342.483 3.791 20 10 EHCDMP Oc1ccc(F)cc1C[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000311033664 1034027045 /nfs/dbraw/zinc/02/70/45/1034027045.db2.gz NTCSVRHIEOWGMY-GOSISDBHSA-N 2 1 342.458 3.923 20 10 EHCDMP COc1ccc(O)c([C@H](C)[NH2+]CC[C@@H](C)[N@@H+](C)Cc2ccccc2)c1 ZINC000379636046 1132177786 /nfs/dbraw/zinc/17/77/86/1132177786.db2.gz WXMJZNCBOXBMBP-SJORKVTESA-N 2 1 342.483 3.962 20 10 EHCDMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)cc2)CC[N@H+]1Cc1ccccc1 ZINC000379657802 1132241848 /nfs/dbraw/zinc/24/18/48/1132241848.db2.gz UMRBKAGKMSZGNO-RXVVDRJESA-N 2 1 337.511 3.895 20 10 EHCDMP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)CC1 ZINC000769148591 1133234169 /nfs/dbraw/zinc/23/41/69/1133234169.db2.gz OOFMDTINTNFERG-MRXNPFEDSA-N 2 1 336.907 3.990 20 10 EHCDMP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)CC1 ZINC000769148591 1133234175 /nfs/dbraw/zinc/23/41/75/1133234175.db2.gz OOFMDTINTNFERG-MRXNPFEDSA-N 2 1 336.907 3.990 20 10 EHCDMP CCC[N@@H+](Cc1ccc(OCC[NH+](C)C)cc1)Cc1ccccc1O ZINC000769201403 1133243904 /nfs/dbraw/zinc/24/39/04/1133243904.db2.gz TUWVLWMPHDSVDZ-UHFFFAOYSA-N 2 1 342.483 3.745 20 10 EHCDMP Oc1ccccc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000770506214 1133435832 /nfs/dbraw/zinc/43/58/32/1133435832.db2.gz ZEZCULSJOMAONC-CTNGQTDRSA-N 2 1 336.479 3.879 20 10 EHCDMP Oc1ccccc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000770506214 1133435837 /nfs/dbraw/zinc/43/58/37/1133435837.db2.gz ZEZCULSJOMAONC-CTNGQTDRSA-N 2 1 336.479 3.879 20 10 EHCDMP Oc1ccccc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000770506214 1133435839 /nfs/dbraw/zinc/43/58/39/1133435839.db2.gz ZEZCULSJOMAONC-CTNGQTDRSA-N 2 1 336.479 3.879 20 10 EHCDMP Cc1cc(C[NH+]2CCC([NH2+]Cc3ccccc3)CC2)ccc1N(C)C ZINC001194524742 1135281074 /nfs/dbraw/zinc/28/10/74/1135281074.db2.gz DFNFNKAZERUMHH-UHFFFAOYSA-N 2 1 337.511 3.815 20 10 EHCDMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000809767459 1135879974 /nfs/dbraw/zinc/87/99/74/1135879974.db2.gz LNYZZSDUHYVQHM-FPOVZHCZSA-N 2 1 336.479 3.975 20 10 EHCDMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000809767459 1135879976 /nfs/dbraw/zinc/87/99/76/1135879976.db2.gz LNYZZSDUHYVQHM-FPOVZHCZSA-N 2 1 336.479 3.975 20 10 EHCDMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000809767459 1135879979 /nfs/dbraw/zinc/87/99/79/1135879979.db2.gz LNYZZSDUHYVQHM-FPOVZHCZSA-N 2 1 336.479 3.975 20 10 EHCDMP COc1cc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)c(O)c(C(C)(C)C)c1 ZINC000850119372 1136212272 /nfs/dbraw/zinc/21/22/72/1136212272.db2.gz OEHFDYMZBHVWFJ-CQSZACIVSA-N 2 1 345.487 3.629 20 10 EHCDMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c2c1c(F)ccc2O ZINC000853240682 1136521526 /nfs/dbraw/zinc/52/15/26/1136521526.db2.gz RAKBXHMHOUQYKI-KMFMINBZSA-N 2 1 332.463 3.791 20 10 EHCDMP [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000816594482 1136735461 /nfs/dbraw/zinc/73/54/61/1136735461.db2.gz FKEJHCBUDJBDJW-HNNXBMFYSA-N 2 1 348.849 3.796 20 10 EHCDMP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cc(-c4ccccc4)ccc3O)C2)C1 ZINC000816642836 1136743646 /nfs/dbraw/zinc/74/36/46/1136743646.db2.gz MWCWOTIYBPDJAC-JOCHJYFZSA-N 2 1 336.479 3.977 20 10 EHCDMP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cc(-c4ccccc4)ccc3O)C2)C1 ZINC000816642836 1136743648 /nfs/dbraw/zinc/74/36/48/1136743648.db2.gz MWCWOTIYBPDJAC-JOCHJYFZSA-N 2 1 336.479 3.977 20 10 EHCDMP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cc(-c4ccccc4)ccc3O)C2)C1 ZINC000816642836 1136743650 /nfs/dbraw/zinc/74/36/50/1136743650.db2.gz MWCWOTIYBPDJAC-JOCHJYFZSA-N 2 1 336.479 3.977 20 10 EHCDMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cc(OCC)ccc2O)CC1 ZINC000134170267 1137945440 /nfs/dbraw/zinc/94/54/40/1137945440.db2.gz FRKWWOOILKKDQQ-UHFFFAOYSA-N 2 1 334.504 3.735 20 10 EHCDMP C[C@H](c1ccncc1)N1CCC([NH2+]Cc2c([O-])cccc2Cl)CC1 ZINC000131080519 1138494696 /nfs/dbraw/zinc/49/46/96/1138494696.db2.gz XZRQWSUZHCGMHN-CQSZACIVSA-N 2 1 345.874 3.756 20 10 EHCDMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(N2CCCCC2)cc1 ZINC000152462494 1139092536 /nfs/dbraw/zinc/09/25/36/1139092536.db2.gz KERLKKFVTIQCGY-MSOLQXFVSA-N 2 1 327.516 3.812 20 10 EHCDMP COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000186518376 1140207707 /nfs/dbraw/zinc/20/77/07/1140207707.db2.gz ZUJMGBVSBUKLKF-BZUAXINKSA-N 2 1 332.488 3.704 20 10 EHCDMP COc1cc(C)cc(C[NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)c1O ZINC000894384972 1021557833 /nfs/dbraw/zinc/55/78/33/1021557833.db2.gz OHRDMDQDYJTEMX-UHFFFAOYSA-N 2 1 342.483 3.839 20 10 EHCDMP C[C@@H]1CC([NH2+]Cc2ccc(O)c(O)c2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168022565 1024211389 /nfs/dbraw/zinc/21/13/89/1024211389.db2.gz TYLDWQUICUTRSN-HZPDHXFCSA-N 2 1 340.467 3.629 20 10 EHCDMP C[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCO3)CC[N@H+]1Cc1ccccc1 ZINC000080338639 1041159783 /nfs/dbraw/zinc/15/97/83/1041159783.db2.gz YHSDSXOQNBFBAS-DYESRHJHSA-N 2 1 336.479 3.764 20 10 EHCDMP Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169124020 1132665351 /nfs/dbraw/zinc/66/53/51/1132665351.db2.gz PJOJUOCAVOWUQZ-QOIOWGMHSA-N 2 1 328.500 3.847 20 10 EHCDMP CC(C)[NH+]1CCC(CC[NH2+]Cc2c(O)ccc(Cl)c2F)CC1 ZINC001179277642 1133242980 /nfs/dbraw/zinc/24/29/80/1133242980.db2.gz KSTRMVSZTYRMQJ-UHFFFAOYSA-N 2 1 328.859 3.785 20 10 EHCDMP C[C@H](c1cccs1)[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775648931 1135405118 /nfs/dbraw/zinc/40/51/18/1135405118.db2.gz HYNCEIRIJNHAGB-MRXNPFEDSA-N 2 1 329.513 3.693 20 10 EHCDMP C[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775701885 1135539352 /nfs/dbraw/zinc/53/93/52/1135539352.db2.gz OHUVFLGSJSFSFS-QFUCXCTJSA-N 2 1 327.516 3.591 20 10 EHCDMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(OC)cc(C(C)(C)C)c2O)C1 ZINC000850070012 1136206106 /nfs/dbraw/zinc/20/61/06/1136206106.db2.gz QZIHNQBCDUNGIQ-HNNXBMFYSA-N 2 1 334.504 3.520 20 10 EHCDMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cc(OC)cc(C(C)(C)C)c2O)C1 ZINC000850070013 1136206146 /nfs/dbraw/zinc/20/61/46/1136206146.db2.gz QZIHNQBCDUNGIQ-OAHLLOKOSA-N 2 1 334.504 3.520 20 10 EHCDMP CC[N@H+]1CC[C@H](C[NH2+][C@H](CCc2ccccc2)c2ccccc2O)C1 ZINC000815561073 1136610912 /nfs/dbraw/zinc/61/09/12/1136610912.db2.gz XODFKVDHHCRYRE-TZIWHRDSSA-N 2 1 338.495 3.998 20 10 EHCDMP COc1cccc([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1O ZINC000846166118 1137337371 /nfs/dbraw/zinc/33/73/71/1137337371.db2.gz SUFCJTYHHYZMKM-JYJNAYRXSA-N 2 1 332.488 3.704 20 10 EHCDMP C[C@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cc(Cl)c(Cl)cc1O ZINC000873260545 1137595606 /nfs/dbraw/zinc/59/56/06/1137595606.db2.gz CPUFIDSBEKOUFT-YFKTTZPYSA-N 2 1 329.271 3.880 20 10 EHCDMP Cc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)c(O)c1 ZINC000876989084 1137667169 /nfs/dbraw/zinc/66/71/69/1137667169.db2.gz OGYZLISAYIVVSP-INIZCTEOSA-N 2 1 330.497 3.764 20 10 EHCDMP Cc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c(O)c1 ZINC000876989084 1137667170 /nfs/dbraw/zinc/66/71/70/1137667170.db2.gz OGYZLISAYIVVSP-INIZCTEOSA-N 2 1 330.497 3.764 20 10 EHCDMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000173431482 1033326991 /nfs/dbraw/zinc/32/69/91/1033326991.db2.gz STOASRODPGFINN-OAHLLOKOSA-N 2 1 334.504 3.559 20 10 EHCDMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000173431482 1033327001 /nfs/dbraw/zinc/32/70/01/1033327001.db2.gz STOASRODPGFINN-OAHLLOKOSA-N 2 1 334.504 3.559 20 10 EHCDMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cc(C)cc(OC)c2O)CC1 ZINC000164356763 1035521786 /nfs/dbraw/zinc/52/17/86/1035521786.db2.gz PSQUMKZVBFYBHG-UHFFFAOYSA-N 2 1 334.504 3.653 20 10 EHCDMP CC[C@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccccc1O ZINC000155627898 1040830508 /nfs/dbraw/zinc/83/05/08/1040830508.db2.gz DAMRAHLZLPEIEH-CTNGQTDRSA-N 2 1 338.495 3.998 20 10 EHCDMP Cc1cc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(C)n1-c1ccccc1 ZINC000764716043 1127525591 /nfs/dbraw/zinc/52/55/91/1127525591.db2.gz GOMITFPOVOSDHR-OXJNMPFZSA-N 2 1 325.500 3.709 20 10 EHCDMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cc(-c4ccccc4)ccc3O)CC[C@@H]21 ZINC000770353650 1133419828 /nfs/dbraw/zinc/41/98/28/1133419828.db2.gz SXPKVFCUSBGZQM-FPOVZHCZSA-N 2 1 336.479 3.975 20 10 EHCDMP C[NH+]1CCC[C@H]2C[N@H+](Cc3cc(-c4ccccc4)ccc3O)CC[C@@H]21 ZINC000770353650 1133419832 /nfs/dbraw/zinc/41/98/32/1133419832.db2.gz SXPKVFCUSBGZQM-FPOVZHCZSA-N 2 1 336.479 3.975 20 10 EHCDMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cc(-c4ccccc4)ccc3O)CC[C@@H]21 ZINC000770353650 1133419834 /nfs/dbraw/zinc/41/98/34/1133419834.db2.gz SXPKVFCUSBGZQM-FPOVZHCZSA-N 2 1 336.479 3.975 20 10 EHCDMP Cc1cc(O)c(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1C(C)C ZINC000746644661 1133960694 /nfs/dbraw/zinc/96/06/94/1133960694.db2.gz BPFMFEYGMXKPMJ-HFSMHLIXSA-N 2 1 346.515 3.508 20 10 EHCDMP Cc1cc(Cl)cc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1O ZINC000793206986 1134882394 /nfs/dbraw/zinc/88/23/94/1134882394.db2.gz MLYZKVZPRDXUOI-QGZVFWFLSA-N 2 1 344.886 3.966 20 10 EHCDMP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc(C(F)(F)F)cc1O ZINC000810216381 1135938816 /nfs/dbraw/zinc/93/88/16/1135938816.db2.gz IRBKMTQYKSUTFS-IUODEOHRSA-N 2 1 330.394 3.794 20 10 EHCDMP C[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1ccc2ccccc2c1O ZINC000817939252 1136847537 /nfs/dbraw/zinc/84/75/37/1136847537.db2.gz BIBXYKRIYWSRGZ-MRXNPFEDSA-N 2 1 335.451 3.771 20 10 EHCDMP Nc1ccc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)cc1 ZINC000817957349 1136851591 /nfs/dbraw/zinc/85/15/91/1136851591.db2.gz LCKRVBOPWMMDMS-ZRBLBEILSA-N 2 1 349.522 3.844 20 10 EHCDMP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ccc(Br)cc1O ZINC000858490627 1136972996 /nfs/dbraw/zinc/97/29/96/1136972996.db2.gz KYTLAIRDMZHSPK-CHWSQXEVSA-N 2 1 341.293 3.537 20 10 EHCDMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc(Br)cc1O ZINC000858490627 1136972999 /nfs/dbraw/zinc/97/29/99/1136972999.db2.gz KYTLAIRDMZHSPK-CHWSQXEVSA-N 2 1 341.293 3.537 20 10 EHCDMP CN(Cc1cccs1)c1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000823447050 1137099922 /nfs/dbraw/zinc/09/99/22/1137099922.db2.gz BRDIHJJRQLMOJZ-SFHVURJKSA-N 2 1 343.540 3.768 20 10 EHCDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc(N3CCCCC3)cc1)C2 ZINC001172101678 1137532419 /nfs/dbraw/zinc/53/24/19/1137532419.db2.gz HPIREXKGGDLEAO-ZKTXZKFHSA-N 2 1 327.516 3.782 20 10 EHCDMP Cc1ccc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c(O)c1 ZINC000877484756 1137678134 /nfs/dbraw/zinc/67/81/34/1137678134.db2.gz GLZVHLIYSLIVFR-UHFFFAOYSA-N 2 1 325.456 3.613 20 10 EHCDMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](CC)c2ccc(C)cc2O)[C@H](C)C1 ZINC000280054364 1020040498 /nfs/dbraw/zinc/04/04/98/1020040498.db2.gz JUZXNMPHUFRTPF-RLLQIKCJSA-N 2 1 348.531 3.878 20 10 EHCDMP Cc1cccc(NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)[nH+]1 ZINC000158334660 1031265982 /nfs/dbraw/zinc/26/59/82/1031265982.db2.gz PSIMOKKSAJNHKU-UHFFFAOYSA-N 2 1 336.483 3.534 20 10 EHCDMP Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000185337368 1126868889 /nfs/dbraw/zinc/86/88/89/1126868889.db2.gz QIZNJOYUBUFALP-AZUAARDMSA-N 2 1 338.495 3.916 20 10 EHCDMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1cc(F)ccc1O ZINC000185337623 1126869378 /nfs/dbraw/zinc/86/93/78/1126869378.db2.gz RPESBYFSQGXUMI-WMZOPIPTSA-N 2 1 342.458 3.747 20 10 EHCDMP Cc1[nH+]ccn1CCCC[N@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000767349723 1132988085 /nfs/dbraw/zinc/98/80/85/1132988085.db2.gz WWWUZNQGTPBEDU-UHFFFAOYSA-N 2 1 328.504 3.948 20 10 EHCDMP Cc1[nH+]ccn1CCCC[N@@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000767349723 1132988089 /nfs/dbraw/zinc/98/80/89/1132988089.db2.gz WWWUZNQGTPBEDU-UHFFFAOYSA-N 2 1 328.504 3.948 20 10 EHCDMP CC[NH+]1CCC([N@H+](C)Cc2ccc(N(C)C)cc2C(F)(F)F)CC1 ZINC000792776462 1134791758 /nfs/dbraw/zinc/79/17/58/1134791758.db2.gz FNVPXKRTDXSDJQ-UHFFFAOYSA-N 2 1 343.437 3.688 20 10 EHCDMP CC[NH+]1CCC([N@@H+](C)Cc2ccc(N(C)C)cc2C(F)(F)F)CC1 ZINC000792776462 1134791766 /nfs/dbraw/zinc/79/17/66/1134791766.db2.gz FNVPXKRTDXSDJQ-UHFFFAOYSA-N 2 1 343.437 3.688 20 10 EHCDMP COc1cc(Cl)cc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)c1O ZINC000809738881 1135883246 /nfs/dbraw/zinc/88/32/46/1135883246.db2.gz NRAOQXHAJVYMKY-UHFFFAOYSA-N 2 1 348.874 3.748 20 10 EHCDMP CC[N@@H+](CCC1CC[NH+](Cc2cc(OC)ccc2O)CC1)CC(C)C ZINC000809755125 1135886829 /nfs/dbraw/zinc/88/68/29/1135886829.db2.gz DZBVBDRGCWKWCO-UHFFFAOYSA-N 2 1 348.531 3.981 20 10 EHCDMP CC[NH+]1CCC(C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2O)CC1 ZINC000815576561 1136613174 /nfs/dbraw/zinc/61/31/74/1136613174.db2.gz STBMWRQRNKMRDN-LBPRGKRZSA-N 2 1 330.394 3.794 20 10 EHCDMP C[C@@H]([NH2+]C[C@H]1CCN(Cc2ccccc2)C1)c1cc(F)cc(F)c1[O-] ZINC000794827077 1137267844 /nfs/dbraw/zinc/26/78/44/1137267844.db2.gz HAXZLXWCCKLFQL-GDBMZVCRSA-N 2 1 346.421 3.843 20 10 EHCDMP Oc1c(F)cc(F)cc1C[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000882882858 1137836817 /nfs/dbraw/zinc/83/68/17/1137836817.db2.gz DUHZWJBSDZQJAI-UHFFFAOYSA-N 2 1 332.394 3.556 20 10 EHCDMP CN(C)c1ccc(C[NH+]2CCC3(CC[N@@H+](C)C3)CC2)c2ccccc21 ZINC001279217809 1016981495 /nfs/dbraw/zinc/98/14/95/1016981495.db2.gz CLQYVSFCMTWOOW-UHFFFAOYSA-N 2 1 337.511 3.824 20 10 EHCDMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2ccc(C)c(C)c2O)cn1 ZINC000273421971 1027420441 /nfs/dbraw/zinc/42/04/41/1027420441.db2.gz SIBRLONACYZKQA-OAHLLOKOSA-N 2 1 336.439 3.749 20 10 EHCDMP COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c1 ZINC000359879025 1027868589 /nfs/dbraw/zinc/86/85/89/1027868589.db2.gz YYVNJXBPSOXZMU-XPIZARPCSA-N 2 1 340.467 3.744 20 10 EHCDMP CC[C@H]([NH2+]CCC[N@@H+](C)C(C)C)c1cc(Br)ccc1O ZINC000229546822 1034233468 /nfs/dbraw/zinc/23/34/68/1034233468.db2.gz QTSIDPCIHOCESK-HNNXBMFYSA-N 2 1 343.309 3.926 20 10 EHCDMP CC1CCN(c2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)cc2)CC1 ZINC000192846877 1036557287 /nfs/dbraw/zinc/55/72/87/1036557287.db2.gz PEWPBFGLNNNVOD-VCSGRIEYSA-N 2 1 327.516 3.638 20 10 EHCDMP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccccc1O ZINC000155627707 1040831341 /nfs/dbraw/zinc/83/13/41/1040831341.db2.gz DAMRAHLZLPEIEH-FPOVZHCZSA-N 2 1 338.495 3.998 20 10 EHCDMP C[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1cc(F)ccc1O ZINC000185003438 1126732840 /nfs/dbraw/zinc/73/28/40/1126732840.db2.gz UNYLSZILVGYGLC-INIZCTEOSA-N 2 1 342.458 3.889 20 10 EHCDMP Cc1cc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c(O)c(C(C)(C)C)c1 ZINC000739875997 1131512804 /nfs/dbraw/zinc/51/28/04/1131512804.db2.gz LMFQRVWFXRFMKL-QGZVFWFLSA-N 2 1 330.516 3.916 20 10 EHCDMP COc1ccc(O)c([C@@H](C)[NH2+]CC[C@H](C)[N@@H+](C)Cc2ccccc2)c1 ZINC000379636041 1132177987 /nfs/dbraw/zinc/17/79/87/1132177987.db2.gz WXMJZNCBOXBMBP-DLBZAZTESA-N 2 1 342.483 3.962 20 10 EHCDMP CCN(CC)c1ccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000769466917 1133296445 /nfs/dbraw/zinc/29/64/45/1133296445.db2.gz PDWMAOLFPRSHSR-FQEVSTJZSA-N 2 1 329.532 3.983 20 10 EHCDMP CCN(C)c1ccc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000773840937 1133342105 /nfs/dbraw/zinc/34/21/05/1133342105.db2.gz VDLJKPITZRAPIZ-IEBWSBKVSA-N 2 1 329.532 3.885 20 10 EHCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H]3c3ccccc3)cc2)CC1 ZINC000775645415 1135392102 /nfs/dbraw/zinc/39/21/02/1135392102.db2.gz KUUXUKJSQLIJAZ-JOCHJYFZSA-N 2 1 335.495 3.776 20 10 EHCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H]3c3cccc(F)c3)cc2)CC1 ZINC000775724765 1135580775 /nfs/dbraw/zinc/58/07/75/1135580775.db2.gz KLHZZVUVCPXPQJ-OAQYLSRUSA-N 2 1 339.458 3.525 20 10 EHCDMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cc(OC)cc(C(C)(C)C)c2O)C1 ZINC000850098983 1136211021 /nfs/dbraw/zinc/21/10/21/1136211021.db2.gz PXEPIULDIYGVIT-OAHLLOKOSA-N 2 1 334.504 3.520 20 10 EHCDMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H](CCc2ccccc2)c2ccccc2O)C1 ZINC000815578241 1136613614 /nfs/dbraw/zinc/61/36/14/1136613614.db2.gz KGBMLPNSHCLWFO-FPOVZHCZSA-N 2 1 338.495 3.998 20 10 EHCDMP CN(Cc1cccs1)c1ccc(C[NH+]2CCC([NH+](C)C)CC2)cc1 ZINC000823404151 1137098280 /nfs/dbraw/zinc/09/82/80/1137098280.db2.gz MRNSJFSIEZQLCJ-UHFFFAOYSA-N 2 1 343.540 3.911 20 10 EHCDMP CC[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccc(C(F)(F)F)cc1O ZINC000530218951 1025513413 /nfs/dbraw/zinc/51/34/13/1025513413.db2.gz XXQYJZCTWIOYMQ-DZGCQCFKSA-N 2 1 328.378 3.736 20 10 EHCDMP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cc(Br)ccc1O ZINC000044534535 1025937014 /nfs/dbraw/zinc/93/70/14/1025937014.db2.gz IINPGTBMAFFWDO-DOMZBBRYSA-N 2 1 341.293 3.537 20 10 EHCDMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1cc(Br)ccc1O ZINC000227435067 1034001433 /nfs/dbraw/zinc/00/14/33/1034001433.db2.gz MWUBYAXQOFSKAZ-CYBMUJFWSA-N 2 1 341.293 3.509 20 10 EHCDMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000765511869 1127631888 /nfs/dbraw/zinc/63/18/88/1127631888.db2.gz FPDOLLKRLQBUQH-QGZVFWFLSA-N 2 1 326.488 3.923 20 10 EHCDMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cc3c(cc2O)CCC3)C1 ZINC000738107839 1131462750 /nfs/dbraw/zinc/46/27/50/1131462750.db2.gz ORQLGIBNZSJDNK-QZTJIDSGSA-N 2 1 342.527 3.967 20 10 EHCDMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000738107839 1131462751 /nfs/dbraw/zinc/46/27/51/1131462751.db2.gz ORQLGIBNZSJDNK-QZTJIDSGSA-N 2 1 342.527 3.967 20 10 EHCDMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000738107839 1131462753 /nfs/dbraw/zinc/46/27/53/1131462753.db2.gz ORQLGIBNZSJDNK-QZTJIDSGSA-N 2 1 342.527 3.967 20 10 EHCDMP Cc1[nH+]ccn1CCCC[N@@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000767349655 1132986866 /nfs/dbraw/zinc/98/68/66/1132986866.db2.gz UYOHJKQTZLNWPT-UHFFFAOYSA-N 2 1 326.488 3.702 20 10 EHCDMP Cc1[nH+]ccn1CCCC[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000767349655 1132986872 /nfs/dbraw/zinc/98/68/72/1132986872.db2.gz UYOHJKQTZLNWPT-UHFFFAOYSA-N 2 1 326.488 3.702 20 10 EHCDMP CC1CC[NH+](CCCC[NH2+]Cc2c(O)ccc(Cl)c2F)CC1 ZINC000790949416 1134484055 /nfs/dbraw/zinc/48/40/55/1134484055.db2.gz MUVPYIKGJYXQEQ-UHFFFAOYSA-N 2 1 328.859 3.786 20 10 EHCDMP Cc1cc(Cl)cc([C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)c1O ZINC000808715186 1135720154 /nfs/dbraw/zinc/72/01/54/1135720154.db2.gz BGCLDIKOHVHEFU-CABCVRRESA-N 2 1 340.895 3.506 20 10 EHCDMP Cc1cc(Cl)cc([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)c1O ZINC000808715186 1135720157 /nfs/dbraw/zinc/72/01/57/1135720157.db2.gz BGCLDIKOHVHEFU-CABCVRRESA-N 2 1 340.895 3.506 20 10 EHCDMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccc(N3CCCCC3)cc2)C1 ZINC000809767516 1135879404 /nfs/dbraw/zinc/87/94/04/1135879404.db2.gz NFYCSGRPFUIVSG-CTNGQTDRSA-N 2 1 327.516 3.593 20 10 EHCDMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccc(N3CCCCC3)cc2)C1 ZINC000809767516 1135879407 /nfs/dbraw/zinc/87/94/07/1135879407.db2.gz NFYCSGRPFUIVSG-CTNGQTDRSA-N 2 1 327.516 3.593 20 10 EHCDMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccc(N3CCCCC3)cc2)C1 ZINC000809767516 1135879410 /nfs/dbraw/zinc/87/94/10/1135879410.db2.gz NFYCSGRPFUIVSG-CTNGQTDRSA-N 2 1 327.516 3.593 20 10 EHCDMP CCN(CC)c1ccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)cc1F ZINC000809767404 1135879952 /nfs/dbraw/zinc/87/99/52/1135879952.db2.gz JYVJMLLHKBIOFR-PKOBYXMFSA-N 2 1 333.495 3.588 20 10 EHCDMP CCN(CC)c1ccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1F ZINC000809767404 1135879955 /nfs/dbraw/zinc/87/99/55/1135879955.db2.gz JYVJMLLHKBIOFR-PKOBYXMFSA-N 2 1 333.495 3.588 20 10 EHCDMP CCN(CC)c1ccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cc1F ZINC000809767404 1135879959 /nfs/dbraw/zinc/87/99/59/1135879959.db2.gz JYVJMLLHKBIOFR-PKOBYXMFSA-N 2 1 333.495 3.588 20 10 EHCDMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccc(N3CCCCC3)cc2)C1 ZINC000809767518 1135880075 /nfs/dbraw/zinc/88/00/75/1135880075.db2.gz NFYCSGRPFUIVSG-PZJWPPBQSA-N 2 1 327.516 3.593 20 10 EHCDMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccc(N3CCCCC3)cc2)C1 ZINC000809767518 1135880076 /nfs/dbraw/zinc/88/00/76/1135880076.db2.gz NFYCSGRPFUIVSG-PZJWPPBQSA-N 2 1 327.516 3.593 20 10 EHCDMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccc(N3CCCCC3)cc2)C1 ZINC000809767518 1135880077 /nfs/dbraw/zinc/88/00/77/1135880077.db2.gz NFYCSGRPFUIVSG-PZJWPPBQSA-N 2 1 327.516 3.593 20 10 EHCDMP CN(C)c1ccc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)cc1F ZINC000809738818 1135883336 /nfs/dbraw/zinc/88/33/36/1135883336.db2.gz LHQXTVVFXLSWLU-UHFFFAOYSA-N 2 1 329.463 3.585 20 10 EHCDMP c1cc(N2CCCCC2)ccc1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000853093130 1136508601 /nfs/dbraw/zinc/50/86/01/1136508601.db2.gz DCIFCCYJDNHUPY-OAQYLSRUSA-N 2 1 341.543 3.889 20 10 EHCDMP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1cc(Cl)c(Cl)cc1O ZINC000817987850 1136855340 /nfs/dbraw/zinc/85/53/40/1136855340.db2.gz YUNRVLHSVCHIRP-NNYUYHANSA-N 2 1 329.271 3.738 20 10 EHCDMP CC1CCN(c2ccc(C[NH2+][C@H]3CC[N@@H+](C)C(C)(C)C3)cc2)CC1 ZINC000858132281 1136942439 /nfs/dbraw/zinc/94/24/39/1136942439.db2.gz YSZXCRQYMBQAIF-IBGZPJMESA-N 2 1 329.532 3.885 20 10 EHCDMP Cc1[nH+]ccn1CC[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000823742197 1137111446 /nfs/dbraw/zinc/11/14/46/1137111446.db2.gz LEATYCZYZFGYEP-UHFFFAOYSA-N 2 1 340.496 3.679 20 10 EHCDMP COc1cc(C[N@@H+](C)[C@H]2CCN(C)[C@@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000824863443 1137155157 /nfs/dbraw/zinc/15/51/57/1137155157.db2.gz QPVKFEQHFZSSOC-HOCLYGCPSA-N 2 1 334.504 3.613 20 10 EHCDMP COc1cc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000824863443 1137155158 /nfs/dbraw/zinc/15/51/58/1137155158.db2.gz QPVKFEQHFZSSOC-HOCLYGCPSA-N 2 1 334.504 3.613 20 10 EHCDMP COc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000824863443 1137155159 /nfs/dbraw/zinc/15/51/59/1137155159.db2.gz QPVKFEQHFZSSOC-HOCLYGCPSA-N 2 1 334.504 3.613 20 10 EHCDMP COc1cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000824863443 1137155160 /nfs/dbraw/zinc/15/51/60/1137155160.db2.gz QPVKFEQHFZSSOC-HOCLYGCPSA-N 2 1 334.504 3.613 20 10 EHCDMP COc1cccc([C@H](C)[NH2+]CC[C@H](C)[N@@H+](C)Cc2ccccc2)c1O ZINC000846144591 1137338934 /nfs/dbraw/zinc/33/89/34/1137338934.db2.gz IAXZTHGPZILSFL-IRXDYDNUSA-N 2 1 342.483 3.962 20 10 EHCDMP C[C@@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cc(Cl)c(Cl)cc1O ZINC000873260544 1137595703 /nfs/dbraw/zinc/59/57/03/1137595703.db2.gz CPUFIDSBEKOUFT-WISYIIOYSA-N 2 1 329.271 3.880 20 10 EHCDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000729681245 1028438473 /nfs/dbraw/zinc/43/84/73/1028438473.db2.gz LFKUYVGEYHSGRO-INIZCTEOSA-N 2 1 335.451 3.990 20 10 EHCDMP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc2ccccc2c1O ZINC000278629009 1031723357 /nfs/dbraw/zinc/72/33/57/1031723357.db2.gz RWTXBPYVCAXMLT-SJORKVTESA-N 2 1 342.483 3.697 20 10 EHCDMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc2ccccc2c1O ZINC000278629009 1031723370 /nfs/dbraw/zinc/72/33/70/1031723370.db2.gz RWTXBPYVCAXMLT-SJORKVTESA-N 2 1 342.483 3.697 20 10 EHCDMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc(F)ccc1O ZINC000195138049 1032052511 /nfs/dbraw/zinc/05/25/11/1032052511.db2.gz CQTXVRVRKOJPAW-DOTOQJQBSA-N 2 1 328.431 3.704 20 10 EHCDMP COc1cc(Cl)cc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c1O ZINC000761192380 1034379111 /nfs/dbraw/zinc/37/91/11/1034379111.db2.gz MMBNMQQXRTZBAH-UHFFFAOYSA-N 2 1 340.895 3.606 20 10 EHCDMP Oc1cc2c(cc1C[N@H+]1CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C1)CCCC2 ZINC000768463436 1133144610 /nfs/dbraw/zinc/14/46/10/1133144610.db2.gz TUPBJRJHYRPUAZ-WIYYLYMNSA-N 2 1 340.511 3.720 20 10 EHCDMP Oc1cc2c(cc1C[NH+]1CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C1)CCCC2 ZINC000768463436 1133144612 /nfs/dbraw/zinc/14/46/12/1133144612.db2.gz TUPBJRJHYRPUAZ-WIYYLYMNSA-N 2 1 340.511 3.720 20 10 EHCDMP Oc1cc2c(cc1C[NH+]1CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C1)CCCC2 ZINC000768463436 1133144616 /nfs/dbraw/zinc/14/46/16/1133144616.db2.gz TUPBJRJHYRPUAZ-WIYYLYMNSA-N 2 1 340.511 3.720 20 10 EHCDMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(N3CCCC3)cc2)C1 ZINC001178249309 1133145132 /nfs/dbraw/zinc/14/51/32/1133145132.db2.gz MHLLCRGTKPBRAN-FQEVSTJZSA-N 2 1 329.532 3.744 20 10 EHCDMP CN(C)c1ccc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1F ZINC000793202368 1134866556 /nfs/dbraw/zinc/86/65/56/1134866556.db2.gz HWRIVVOBKXIIJS-IBGZPJMESA-N 2 1 341.474 3.503 20 10 EHCDMP CC[N@@H+](CCc1cccs1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775656345 1135425487 /nfs/dbraw/zinc/42/54/87/1135425487.db2.gz FEUYIOFDLIDGEI-UHFFFAOYSA-N 2 1 343.540 3.565 20 10 EHCDMP C[C@H](CC[NH2+]Cc1ccc(N(C)C)c(F)c1)[N@@H+](C)Cc1ccccc1 ZINC001200940985 1135971295 /nfs/dbraw/zinc/97/12/95/1135971295.db2.gz BQTYIMONFOKYJP-QGZVFWFLSA-N 2 1 343.490 3.892 20 10 EHCDMP C[N@H+]1CCC[C@]2(CC[NH+](Cc3cc(-c4ccccc4)ccc3O)C2)C1 ZINC000816642837 1136743916 /nfs/dbraw/zinc/74/39/16/1136743916.db2.gz MWCWOTIYBPDJAC-QFIPXVFZSA-N 2 1 336.479 3.977 20 10 EHCDMP C[NH+]1CCC[C@]2(CC[N@H+](Cc3cc(-c4ccccc4)ccc3O)C2)C1 ZINC000816642837 1136743918 /nfs/dbraw/zinc/74/39/18/1136743918.db2.gz MWCWOTIYBPDJAC-QFIPXVFZSA-N 2 1 336.479 3.977 20 10 EHCDMP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cc(-c4ccccc4)ccc3O)C2)C1 ZINC000816642837 1136743922 /nfs/dbraw/zinc/74/39/22/1136743922.db2.gz MWCWOTIYBPDJAC-QFIPXVFZSA-N 2 1 336.479 3.977 20 10 EHCDMP COc1cc(C)cc(C[NH+]2CCC(C)([NH+]3CCCCC3)CC2)c1O ZINC000872793832 1137584458 /nfs/dbraw/zinc/58/44/58/1137584458.db2.gz CSSSDLLUVSFCOW-UHFFFAOYSA-N 2 1 332.488 3.550 20 10 EHCDMP CCOc1cccc(C[NH+]2CCC(C)([NH+]3CCCCC3)CC2)c1O ZINC000877795184 1137690278 /nfs/dbraw/zinc/69/02/78/1137690278.db2.gz BIYWEDQQXIZIDR-UHFFFAOYSA-N 2 1 332.488 3.631 20 10 EHCDMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000268835779 1141003934 /nfs/dbraw/zinc/00/39/34/1141003934.db2.gz UFYNNRPINZDHNM-HNNXBMFYSA-N 2 1 330.451 3.672 20 10 EHCDMP COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c1 ZINC000359879022 1027868024 /nfs/dbraw/zinc/86/80/24/1027868024.db2.gz YYVNJXBPSOXZMU-HZUJVAHNSA-N 2 1 340.467 3.744 20 10 EHCDMP C[NH+](C)C1CCC([NH2+]Cc2cc(Cl)c3cccnc3c2O)CC1 ZINC001168298342 1033570753 /nfs/dbraw/zinc/57/07/53/1033570753.db2.gz NWBUPQPHLYUGAK-UHFFFAOYSA-N 2 1 333.863 3.556 20 10 EHCDMP Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169124018 1132665130 /nfs/dbraw/zinc/66/51/30/1132665130.db2.gz PJOJUOCAVOWUQZ-IHSNIMORSA-N 2 1 328.500 3.847 20 10 EHCDMP CN(C)c1ccc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC000769403729 1133278875 /nfs/dbraw/zinc/27/88/75/1133278875.db2.gz VIQGGJGILKRPCP-NRFANRHFSA-N 2 1 337.511 3.707 20 10 EHCDMP CN(C)c1ccc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000769403729 1133278878 /nfs/dbraw/zinc/27/88/78/1133278878.db2.gz VIQGGJGILKRPCP-NRFANRHFSA-N 2 1 337.511 3.707 20 10 EHCDMP CN(C)c1ccc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000769403729 1133278882 /nfs/dbraw/zinc/27/88/82/1133278882.db2.gz VIQGGJGILKRPCP-NRFANRHFSA-N 2 1 337.511 3.707 20 10 EHCDMP CCN(CC)c1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000769515383 1133306951 /nfs/dbraw/zinc/30/69/51/1133306951.db2.gz PQFDWGIWGVYTKU-HXUWFJFHSA-N 2 1 329.532 3.697 20 10 EHCDMP CCN(CC)c1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)cc1 ZINC000769515383 1133306955 /nfs/dbraw/zinc/30/69/55/1133306955.db2.gz PQFDWGIWGVYTKU-HXUWFJFHSA-N 2 1 329.532 3.697 20 10 EHCDMP Oc1c(F)cc(F)cc1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC001180077683 1133326478 /nfs/dbraw/zinc/32/64/78/1133326478.db2.gz SLGDBTLYZDBTGK-UHFFFAOYSA-N 2 1 338.442 3.758 20 10 EHCDMP CC[C@H]([NH2+]CCN1CC[C@H](C)C1)c1cc(Br)ccc1[O-] ZINC000775511092 1134979797 /nfs/dbraw/zinc/97/97/97/1134979797.db2.gz BECQALTUZAAQGN-WFASDCNBSA-N 2 1 341.293 3.537 20 10 EHCDMP COc1cccc(C[NH2+]CC(C)(C)C[N@H+](C)Cc2ccccc2)c1O ZINC000809740381 1135883584 /nfs/dbraw/zinc/88/35/84/1135883584.db2.gz XCEGTQUQGFUALM-UHFFFAOYSA-N 2 1 342.483 3.649 20 10 EHCDMP COc1cccc(C[NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)c1O ZINC000809740381 1135883586 /nfs/dbraw/zinc/88/35/86/1135883586.db2.gz XCEGTQUQGFUALM-UHFFFAOYSA-N 2 1 342.483 3.649 20 10 EHCDMP CC(C)C1CCC([NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC1 ZINC001201036582 1135980358 /nfs/dbraw/zinc/98/03/58/1135980358.db2.gz ZKZSOUXUBBNTBQ-UHFFFAOYSA-N 2 1 347.522 3.882 20 10 EHCDMP Oc1ccccc1C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000816619369 1136742575 /nfs/dbraw/zinc/74/25/75/1136742575.db2.gz CUYBCKGGPZALRV-UHFFFAOYSA-N 2 1 336.479 3.880 20 10 EHCDMP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccc(F)cc1O ZINC000817979576 1136854865 /nfs/dbraw/zinc/85/48/65/1136854865.db2.gz LXJFKSWTTDOOOZ-FRIZHTMISA-N 2 1 346.421 3.714 20 10 EHCDMP COc1cc(C[N@@H+](C)[C@H]2CCN(C)[C@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000824863444 1137155171 /nfs/dbraw/zinc/15/51/71/1137155171.db2.gz QPVKFEQHFZSSOC-ZBFHGGJFSA-N 2 1 334.504 3.613 20 10 EHCDMP COc1cc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000824863444 1137155172 /nfs/dbraw/zinc/15/51/72/1137155172.db2.gz QPVKFEQHFZSSOC-ZBFHGGJFSA-N 2 1 334.504 3.613 20 10 EHCDMP COc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000824863444 1137155174 /nfs/dbraw/zinc/15/51/74/1137155174.db2.gz QPVKFEQHFZSSOC-ZBFHGGJFSA-N 2 1 334.504 3.613 20 10 EHCDMP COc1cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000824863444 1137155175 /nfs/dbraw/zinc/15/51/75/1137155175.db2.gz QPVKFEQHFZSSOC-ZBFHGGJFSA-N 2 1 334.504 3.613 20 10 EHCDMP Cc1cccc(O)c1C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000876988229 1137666992 /nfs/dbraw/zinc/66/69/92/1137666992.db2.gz DRPPHQZNBFEPNP-INIZCTEOSA-N 2 1 330.497 3.764 20 10 EHCDMP Cc1cccc(O)c1C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000876988229 1137666993 /nfs/dbraw/zinc/66/69/93/1137666993.db2.gz DRPPHQZNBFEPNP-INIZCTEOSA-N 2 1 330.497 3.764 20 10 EHCDMP COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000195133536 1032046170 /nfs/dbraw/zinc/04/61/70/1032046170.db2.gz ZFRAFUZPLGEOIB-AEFFLSMTSA-N 2 1 340.467 3.574 20 10 EHCDMP Oc1ccc(F)cc1C[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000311033665 1034026056 /nfs/dbraw/zinc/02/60/56/1034026056.db2.gz NTCSVRHIEOWGMY-SFHVURJKSA-N 2 1 342.458 3.923 20 10 EHCDMP CCC1([NH3+])CC[NH+]([C@H](C)c2cc(Br)cc(C)c2O)CC1 ZINC000925757371 1042603392 /nfs/dbraw/zinc/60/33/92/1042603392.db2.gz FXKZJKHTKMDJAN-GFCCVEGCSA-N 2 1 341.293 3.727 20 10 EHCDMP CCN(C)c1ccc(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000773840941 1133343098 /nfs/dbraw/zinc/34/30/98/1133343098.db2.gz VDLJKPITZRAPIZ-MJGOQNOKSA-N 2 1 329.532 3.885 20 10 EHCDMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000792930697 1134827460 /nfs/dbraw/zinc/82/74/60/1134827460.db2.gz QNSAOQHBYGWINP-AWEZNQCLSA-N 2 1 343.437 3.593 20 10 EHCDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)Cc1ccccc1Cl ZINC000775643364 1135383468 /nfs/dbraw/zinc/38/34/68/1135383468.db2.gz WEGLIWQPOXKMGJ-UHFFFAOYSA-N 2 1 343.902 3.724 20 10 EHCDMP C[C@@H]1c2ccsc2CC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775647451 1135390332 /nfs/dbraw/zinc/39/03/32/1135390332.db2.gz WEEVZRIMKLFFBX-MRXNPFEDSA-N 2 1 341.524 3.619 20 10 EHCDMP C[N@H+]1CCC[C@@H](C[NH2+][C@H](CCc2ccccc2)c2ccccc2O)C1 ZINC000815578242 1136613649 /nfs/dbraw/zinc/61/36/49/1136613649.db2.gz KGBMLPNSHCLWFO-PZJWPPBQSA-N 2 1 338.495 3.998 20 10 EHCDMP Cc1[nH]c(C2CC[NH+](Cc3ccc(N(C)C)c(C)c3)CC2)[nH+]c1C ZINC000886660650 1138110114 /nfs/dbraw/zinc/11/01/14/1138110114.db2.gz BXAQRIMLWJOJAB-UHFFFAOYSA-N 2 1 326.488 3.781 20 10 EHCDMP C[C@@H](c1ccncc1)N1CCC([NH2+]Cc2c([O-])cccc2Cl)CC1 ZINC000131080338 1138494850 /nfs/dbraw/zinc/49/48/50/1138494850.db2.gz XZRQWSUZHCGMHN-AWEZNQCLSA-N 2 1 345.874 3.756 20 10 EHCDMP C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1cc2c(cc1O)CCCC2 ZINC000273586799 1027506049 /nfs/dbraw/zinc/50/60/49/1027506049.db2.gz NYSXJNLGDVRQOV-HNNXBMFYSA-N 2 1 328.500 3.939 20 10 EHCDMP Cc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)ccc1N1CCCCC1 ZINC001167646860 1028515901 /nfs/dbraw/zinc/51/59/01/1028515901.db2.gz IDOWLWHHRUXSPQ-RBBKRZOGSA-N 2 1 341.543 3.901 20 10 EHCDMP Cc1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)ccc1N1CCCCC1 ZINC001167646860 1028515919 /nfs/dbraw/zinc/51/59/19/1028515919.db2.gz IDOWLWHHRUXSPQ-RBBKRZOGSA-N 2 1 341.543 3.901 20 10 EHCDMP Cc1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)ccc1N1CCCCC1 ZINC001167646860 1028515922 /nfs/dbraw/zinc/51/59/22/1028515922.db2.gz IDOWLWHHRUXSPQ-RBBKRZOGSA-N 2 1 341.543 3.901 20 10 EHCDMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(N2CCCCCC2)cc1 ZINC000271847157 1029198210 /nfs/dbraw/zinc/19/82/10/1029198210.db2.gz IBWBAJZEARTNCF-SFHVURJKSA-N 2 1 327.516 3.980 20 10 EHCDMP COc1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c(O)c(C(C)(C)C)c1 ZINC000164399128 1035536917 /nfs/dbraw/zinc/53/69/17/1035536917.db2.gz AKTFABXXFGWVKE-INIZCTEOSA-N 2 1 346.515 3.616 20 10 EHCDMP C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311025299 1037172047 /nfs/dbraw/zinc/17/20/47/1037172047.db2.gz CAEJPLFBBKXWBC-NQIIRXRSSA-N 2 1 337.511 3.753 20 10 EHCDMP CCC1([NH3+])CC[NH+]([C@@H](C)c2cc(Br)cc(C)c2O)CC1 ZINC000925757373 1042602993 /nfs/dbraw/zinc/60/29/93/1042602993.db2.gz FXKZJKHTKMDJAN-LBPRGKRZSA-N 2 1 341.293 3.727 20 10 EHCDMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cc3c(cc2O)CCC3)CC1 ZINC000738067215 1131459493 /nfs/dbraw/zinc/45/94/93/1131459493.db2.gz IGXUEVZJXMQUCM-UHFFFAOYSA-N 2 1 330.516 3.825 20 10 EHCDMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)cc2)CC[N@H+]1Cc1ccccc1 ZINC000379657800 1132241401 /nfs/dbraw/zinc/24/14/01/1132241401.db2.gz UMRBKAGKMSZGNO-NQIIRXRSSA-N 2 1 337.511 3.895 20 10 EHCDMP Cc1cc(O)c(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1C(C)C ZINC000746644662 1133960423 /nfs/dbraw/zinc/96/04/23/1133960423.db2.gz BPFMFEYGMXKPMJ-SLYNCCJLSA-N 2 1 346.515 3.508 20 10 EHCDMP Oc1ccc(Cl)cc1CN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000793242967 1134886755 /nfs/dbraw/zinc/88/67/55/1134886755.db2.gz SENIIJHJZOBVMZ-HDICACEKSA-N 2 1 342.870 3.609 20 10 EHCDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C(C)(C)c1ccccc1 ZINC000793610702 1134971866 /nfs/dbraw/zinc/97/18/66/1134971866.db2.gz WKNDSIMSZAJEHI-UHFFFAOYSA-N 2 1 337.511 3.806 20 10 EHCDMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3c4c(ccc3O)oc3c4CCCC3)C2)C1 ZINC000793768044 1134986970 /nfs/dbraw/zinc/98/69/70/1134986970.db2.gz QAENZALRUVJBHE-OAQYLSRUSA-N 2 1 340.467 3.545 20 10 EHCDMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3c4c(ccc3O)oc3c4CCCC3)C2)C1 ZINC000793768044 1134986973 /nfs/dbraw/zinc/98/69/73/1134986973.db2.gz QAENZALRUVJBHE-OAQYLSRUSA-N 2 1 340.467 3.545 20 10 EHCDMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3c4c(ccc3O)oc3c4CCCC3)C2)C1 ZINC000793768044 1134986978 /nfs/dbraw/zinc/98/69/78/1134986978.db2.gz QAENZALRUVJBHE-OAQYLSRUSA-N 2 1 340.467 3.545 20 10 EHCDMP CCN(C)c1ccc(C[N@@H+](CC(C)C)CC2CC[NH+](C)CC2)cc1 ZINC001197194923 1135658456 /nfs/dbraw/zinc/65/84/56/1135658456.db2.gz YDSPJPDGZAOGRM-UHFFFAOYSA-N 2 1 331.548 3.943 20 10 EHCDMP Cc1ccc(O)c(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC000809703504 1135874239 /nfs/dbraw/zinc/87/42/39/1135874239.db2.gz LDMSROCJULFMKC-QFIPXVFZSA-N 2 1 336.479 3.799 20 10 EHCDMP Cc1ccc(O)c(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000809703504 1135874242 /nfs/dbraw/zinc/87/42/42/1135874242.db2.gz LDMSROCJULFMKC-QFIPXVFZSA-N 2 1 336.479 3.799 20 10 EHCDMP Cc1ccc(O)c(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000809703504 1135874245 /nfs/dbraw/zinc/87/42/45/1135874245.db2.gz LDMSROCJULFMKC-QFIPXVFZSA-N 2 1 336.479 3.799 20 10 EHCDMP Cc1cccc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c1O ZINC000809702929 1135874637 /nfs/dbraw/zinc/87/46/37/1135874637.db2.gz AXIPDOPCRWEMTD-JOCHJYFZSA-N 2 1 336.479 3.799 20 10 EHCDMP Cc1cccc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1O ZINC000809702929 1135874641 /nfs/dbraw/zinc/87/46/41/1135874641.db2.gz AXIPDOPCRWEMTD-JOCHJYFZSA-N 2 1 336.479 3.799 20 10 EHCDMP Cc1cccc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1O ZINC000809702929 1135874645 /nfs/dbraw/zinc/87/46/45/1135874645.db2.gz AXIPDOPCRWEMTD-JOCHJYFZSA-N 2 1 336.479 3.799 20 10 EHCDMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c2c1c(F)ccc2O ZINC000853240683 1136521331 /nfs/dbraw/zinc/52/13/31/1136521331.db2.gz RAKBXHMHOUQYKI-UKPHBRMFSA-N 2 1 332.463 3.791 20 10 EHCDMP C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccc(N4CCCCC4)cc3)C2)C1 ZINC000816642400 1136743427 /nfs/dbraw/zinc/74/34/27/1136743427.db2.gz YMDRXAOOFMICBZ-NRFANRHFSA-N 2 1 327.516 3.595 20 10 EHCDMP C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccc(N4CCCCC4)cc3)C2)C1 ZINC000816642400 1136743429 /nfs/dbraw/zinc/74/34/29/1136743429.db2.gz YMDRXAOOFMICBZ-NRFANRHFSA-N 2 1 327.516 3.595 20 10 EHCDMP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccc(N4CCCCC4)cc3)C2)C1 ZINC000816642400 1136743432 /nfs/dbraw/zinc/74/34/32/1136743432.db2.gz YMDRXAOOFMICBZ-NRFANRHFSA-N 2 1 327.516 3.595 20 10 EHCDMP CCN(Cc1ccccc1)c1ccc(C[NH2+]CCc2c[nH+]cn2C)cc1 ZINC000857784392 1136907894 /nfs/dbraw/zinc/90/78/94/1136907894.db2.gz ZKRBSBJOXOMKAF-UHFFFAOYSA-N 2 1 348.494 3.779 20 10 EHCDMP CN(C)c1ccc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000119307310 1137171884 /nfs/dbraw/zinc/17/18/84/1137171884.db2.gz AKZHYUKZNUKRPN-UHFFFAOYSA-N 2 1 337.511 3.849 20 10 EHCDMP CN(C)c1ccc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000119307310 1137171885 /nfs/dbraw/zinc/17/18/85/1137171885.db2.gz AKZHYUKZNUKRPN-UHFFFAOYSA-N 2 1 337.511 3.849 20 10 EHCDMP COc1cccc([C@@H](C)[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1O ZINC000846140005 1137338508 /nfs/dbraw/zinc/33/85/08/1137338508.db2.gz CXMXAIMKRBZJQD-IXDOHACOSA-N 2 1 334.504 3.810 20 10 EHCDMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000152385097 1139089106 /nfs/dbraw/zinc/08/91/06/1139089106.db2.gz YEIFFRBBNYANTO-DLBZAZTESA-N 2 1 345.506 3.951 20 10 EHCDMP COc1ccc(N2CCC([NH2+]CCC[N@H+]3CCCC[C@@H]3C)CC2)cc1 ZINC000160267275 1015568486 /nfs/dbraw/zinc/56/84/86/1015568486.db2.gz UJNDNMYLBNVRMR-SFHVURJKSA-N 2 1 345.531 3.518 20 10 EHCDMP Cc1ccc([C@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(O)c1C ZINC000273599589 1027512810 /nfs/dbraw/zinc/51/28/10/1027512810.db2.gz RPPSZXYJSMJAHX-JZXOWHBKSA-N 2 1 334.504 3.549 20 10 EHCDMP COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c1 ZINC000359879023 1027867403 /nfs/dbraw/zinc/86/74/03/1027867403.db2.gz YYVNJXBPSOXZMU-LUQKVYGDSA-N 2 1 340.467 3.744 20 10 EHCDMP Cc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)ccc1N1CCCCC1 ZINC001167646858 1028512606 /nfs/dbraw/zinc/51/26/06/1028512606.db2.gz IDOWLWHHRUXSPQ-IRLDBZIGSA-N 2 1 341.543 3.901 20 10 EHCDMP Cc1cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)ccc1N1CCCCC1 ZINC001167646858 1028512608 /nfs/dbraw/zinc/51/26/08/1028512608.db2.gz IDOWLWHHRUXSPQ-IRLDBZIGSA-N 2 1 341.543 3.901 20 10 EHCDMP Cc1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)ccc1N1CCCCC1 ZINC001167646858 1028512611 /nfs/dbraw/zinc/51/26/11/1028512611.db2.gz IDOWLWHHRUXSPQ-IRLDBZIGSA-N 2 1 341.543 3.901 20 10 EHCDMP COc1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c(O)c(C(C)(C)C)c1 ZINC000164518817 1035652698 /nfs/dbraw/zinc/65/26/98/1035652698.db2.gz LXOYKAVWRAXHEL-DNVCBOLYSA-N 2 1 346.515 3.614 20 10 EHCDMP COc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c(O)c(C(C)(C)C)c1 ZINC000164518817 1035652703 /nfs/dbraw/zinc/65/27/03/1035652703.db2.gz LXOYKAVWRAXHEL-DNVCBOLYSA-N 2 1 346.515 3.614 20 10 EHCDMP COc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c(O)c(C(C)(C)C)c1 ZINC000164518817 1035652712 /nfs/dbraw/zinc/65/27/12/1035652712.db2.gz LXOYKAVWRAXHEL-DNVCBOLYSA-N 2 1 346.515 3.614 20 10 EHCDMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(F)cc1O ZINC000185337443 1126868688 /nfs/dbraw/zinc/86/86/88/1126868688.db2.gz HEAUSTMKLIGOFU-SJLPKXTDSA-N 2 1 342.458 3.747 20 10 EHCDMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(F)cc1O ZINC000185337443 1126868692 /nfs/dbraw/zinc/86/86/92/1126868692.db2.gz HEAUSTMKLIGOFU-SJLPKXTDSA-N 2 1 342.458 3.747 20 10 EHCDMP CCN(C)c1ccc([C@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000765406056 1127608167 /nfs/dbraw/zinc/60/81/67/1127608167.db2.gz LZIOFXFGGUXCDC-OTWHNJEPSA-N 2 1 347.547 3.683 20 10 EHCDMP COc1ccc(O)c([C@H](C)[NH2+]CC[C@H](C)[N@@H+](C)Cc2ccccc2)c1 ZINC000379636045 1132178072 /nfs/dbraw/zinc/17/80/72/1132178072.db2.gz WXMJZNCBOXBMBP-IRXDYDNUSA-N 2 1 342.483 3.962 20 10 EHCDMP Oc1cc2c(cc1C[N@H+]1CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C1)CCCC2 ZINC000768463429 1133144170 /nfs/dbraw/zinc/14/41/70/1133144170.db2.gz TUPBJRJHYRPUAZ-GHTZIAJQSA-N 2 1 340.511 3.720 20 10 EHCDMP Oc1cc2c(cc1C[NH+]1CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C1)CCCC2 ZINC000768463429 1133144174 /nfs/dbraw/zinc/14/41/74/1133144174.db2.gz TUPBJRJHYRPUAZ-GHTZIAJQSA-N 2 1 340.511 3.720 20 10 EHCDMP Oc1cc2c(cc1C[NH+]1CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C1)CCCC2 ZINC000768463429 1133144178 /nfs/dbraw/zinc/14/41/78/1133144178.db2.gz TUPBJRJHYRPUAZ-GHTZIAJQSA-N 2 1 340.511 3.720 20 10 EHCDMP C[C@@H](c1ccccc1F)[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775648225 1135397058 /nfs/dbraw/zinc/39/70/58/1135397058.db2.gz AXJOTKDJVXQLNV-KRWDZBQOSA-N 2 1 341.474 3.771 20 10 EHCDMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc3c(c2)CCN3Cc2ccccc2)C1 ZINC000809576511 1135852756 /nfs/dbraw/zinc/85/27/56/1135852756.db2.gz BPBFYSJLDRWDGS-OAQYLSRUSA-N 2 1 349.522 3.633 20 10 EHCDMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000809765399 1135888320 /nfs/dbraw/zinc/88/83/20/1135888320.db2.gz NHERAFWQBXMSTO-GUYCJALGSA-N 2 1 343.437 3.543 20 10 EHCDMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000809765399 1135888325 /nfs/dbraw/zinc/88/83/25/1135888325.db2.gz NHERAFWQBXMSTO-GUYCJALGSA-N 2 1 343.437 3.543 20 10 EHCDMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000809765399 1135888327 /nfs/dbraw/zinc/88/83/27/1135888327.db2.gz NHERAFWQBXMSTO-GUYCJALGSA-N 2 1 343.437 3.543 20 10 EHCDMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000809765399 1135888331 /nfs/dbraw/zinc/88/83/31/1135888331.db2.gz NHERAFWQBXMSTO-GUYCJALGSA-N 2 1 343.437 3.543 20 10 EHCDMP CC1(C)C[C@@H]([NH2+]Cc2ccc(O)cc2O)CC[N@H+]1Cc1ccccc1 ZINC001171984678 1137527512 /nfs/dbraw/zinc/52/75/12/1137527512.db2.gz XLJLMLXXTNZKPN-SFHVURJKSA-N 2 1 340.467 3.631 20 10 EHCDMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(N2CCCCC2)cc1 ZINC000152462686 1139091639 /nfs/dbraw/zinc/09/16/39/1139091639.db2.gz KERLKKFVTIQCGY-QZTJIDSGSA-N 2 1 327.516 3.812 20 10 EHCDMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(N2CCCCC2)cc1 ZINC000152462588 1139092620 /nfs/dbraw/zinc/09/26/20/1139092620.db2.gz KERLKKFVTIQCGY-ZWKOTPCHSA-N 2 1 327.516 3.812 20 10 EHCDMP CCN(CC)c1ccc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cc1F ZINC000172672201 1032838092 /nfs/dbraw/zinc/83/80/92/1032838092.db2.gz AFDRJARDJASWGX-OAHLLOKOSA-N 2 1 332.467 3.603 20 10 EHCDMP Oc1ccc2ccccc2c1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000157919190 1033162640 /nfs/dbraw/zinc/16/26/40/1033162640.db2.gz PDMATAAOMUJRTK-UTKZUKDTSA-N 2 1 336.479 3.994 20 10 EHCDMP Oc1ccc2ccccc2c1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000157919190 1033162647 /nfs/dbraw/zinc/16/26/47/1033162647.db2.gz PDMATAAOMUJRTK-UTKZUKDTSA-N 2 1 336.479 3.994 20 10 EHCDMP Oc1ccc2ccccc2c1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000157919190 1033162656 /nfs/dbraw/zinc/16/26/56/1033162656.db2.gz PDMATAAOMUJRTK-UTKZUKDTSA-N 2 1 336.479 3.994 20 10 EHCDMP Cc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)ccc1N1CCCCC1 ZINC001167646850 1028513464 /nfs/dbraw/zinc/51/34/64/1028513464.db2.gz IDOWLWHHRUXSPQ-IFMALSPDSA-N 2 1 341.543 3.901 20 10 EHCDMP Cc1cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)ccc1N1CCCCC1 ZINC001167646850 1028513469 /nfs/dbraw/zinc/51/34/69/1028513469.db2.gz IDOWLWHHRUXSPQ-IFMALSPDSA-N 2 1 341.543 3.901 20 10 EHCDMP Cc1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)ccc1N1CCCCC1 ZINC001167646850 1028513477 /nfs/dbraw/zinc/51/34/77/1028513477.db2.gz IDOWLWHHRUXSPQ-IFMALSPDSA-N 2 1 341.543 3.901 20 10 EHCDMP COc1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c(O)c(C(C)(C)C)c1 ZINC000164518948 1035651492 /nfs/dbraw/zinc/65/14/92/1035651492.db2.gz LXOYKAVWRAXHEL-BEFAXECRSA-N 2 1 346.515 3.614 20 10 EHCDMP COc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c(O)c(C(C)(C)C)c1 ZINC000164518948 1035651502 /nfs/dbraw/zinc/65/15/02/1035651502.db2.gz LXOYKAVWRAXHEL-BEFAXECRSA-N 2 1 346.515 3.614 20 10 EHCDMP COc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c(O)c(C(C)(C)C)c1 ZINC000164518948 1035651523 /nfs/dbraw/zinc/65/15/23/1035651523.db2.gz LXOYKAVWRAXHEL-BEFAXECRSA-N 2 1 346.515 3.614 20 10 EHCDMP C[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1cc(F)ccc1O ZINC000185003458 1126732747 /nfs/dbraw/zinc/73/27/47/1126732747.db2.gz UNYLSZILVGYGLC-MRXNPFEDSA-N 2 1 342.458 3.889 20 10 EHCDMP CCN(Cc1ccccc1)c1ccc(C[NH2+]C2CC[NH+](C)CC2)cc1 ZINC000072726254 1126868045 /nfs/dbraw/zinc/86/80/45/1126868045.db2.gz XPMXYQYPYPOACY-UHFFFAOYSA-N 2 1 337.511 3.897 20 10 EHCDMP CCC[NH+](C)Cc1c(O)ccc2ccc(O)c(C[N@H+](C)CCC)c21 ZINC000069062144 1124102830 /nfs/dbraw/zinc/10/28/30/1124102830.db2.gz MKBQPPAHUOCUKJ-UHFFFAOYSA-N 2 1 330.472 3.935 20 10 EHCDMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cc3c(cc2O)CCCC3)CC1 ZINC000768444490 1133140116 /nfs/dbraw/zinc/14/01/16/1133140116.db2.gz CBHGRDHLYXWHLK-UHFFFAOYSA-N 2 1 330.516 3.823 20 10 EHCDMP CCOc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c(O)c1 ZINC000769317603 1133260487 /nfs/dbraw/zinc/26/04/87/1133260487.db2.gz TVIDEUYKZMXATN-SFHVURJKSA-N 2 1 346.515 3.879 20 10 EHCDMP C[NH+]1CCN(c2ccc(CNc3cccc4cc[nH+]cc43)cc2)CC1 ZINC000771854333 1133607719 /nfs/dbraw/zinc/60/77/19/1133607719.db2.gz MVPGTDNDTGRION-UHFFFAOYSA-N 2 1 332.451 3.599 20 10 EHCDMP Cc1ccc([C@@H](C)[N@@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC000775650008 1135416972 /nfs/dbraw/zinc/41/69/72/1135416972.db2.gz WOHQWYSRXPEYFI-LJQANCHMSA-N 2 1 337.511 3.940 20 10 EHCDMP COc1cc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c(O)c(C(C)(C)C)c1 ZINC000850323869 1136235120 /nfs/dbraw/zinc/23/51/20/1136235120.db2.gz HIHAWYWHNXBNIN-HNNXBMFYSA-N 2 1 334.504 3.520 20 10 EHCDMP Cc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)c(O)c1 ZINC000877056111 1137668867 /nfs/dbraw/zinc/66/88/67/1137668867.db2.gz YPPVDBRTOFLTKJ-QFBILLFUSA-N 2 1 330.497 3.935 20 10 EHCDMP CCC(CC)[C@@H](C[NH2+]C1CCN(c2ccc(OC)cc2)CC1)[NH+](C)C ZINC000133128951 1137878980 /nfs/dbraw/zinc/87/89/80/1137878980.db2.gz WTPDYDXVKWAJDA-OAQYLSRUSA-N 2 1 347.547 3.620 20 10 EHCDMP COc1cc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)c(O)c(C(C)(C)C)c1 ZINC000164533288 1035656489 /nfs/dbraw/zinc/65/64/89/1035656489.db2.gz PBZAUHYMVKAOEP-BEFAXECRSA-N 2 1 346.515 3.614 20 10 EHCDMP COc1cc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c(O)c(C(C)(C)C)c1 ZINC000164533288 1035656499 /nfs/dbraw/zinc/65/64/99/1035656499.db2.gz PBZAUHYMVKAOEP-BEFAXECRSA-N 2 1 346.515 3.614 20 10 EHCDMP COc1cc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c(O)c(C(C)(C)C)c1 ZINC000164533288 1035656509 /nfs/dbraw/zinc/65/65/09/1035656509.db2.gz PBZAUHYMVKAOEP-BEFAXECRSA-N 2 1 346.515 3.614 20 10 EHCDMP C[C@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1ccc(N2CCCCC2)cc1 ZINC000278858501 1042596969 /nfs/dbraw/zinc/59/69/69/1042596969.db2.gz ATOSSGVMCPPQJF-ROUUACIJSA-N 2 1 338.499 3.787 20 10 EHCDMP CCCC[N@@H+](C)CC1CC[NH+](Cc2c(O)ccc3ccncc32)CC1 ZINC000738066805 1131459548 /nfs/dbraw/zinc/45/95/48/1131459548.db2.gz GAFLABSRMQGIJR-UHFFFAOYSA-N 2 1 341.499 3.884 20 10 EHCDMP COc1cc(C[NH2+]CCC[N@@H+](C)CC(C)C)c(O)c(C(C)(C)C)c1 ZINC001179082598 1133227169 /nfs/dbraw/zinc/22/71/69/1133227169.db2.gz ZSMROLUKXDHWPX-UHFFFAOYSA-N 2 1 336.520 3.766 20 10 EHCDMP Cc1scc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)c1C ZINC001179333396 1133244911 /nfs/dbraw/zinc/24/49/11/1133244911.db2.gz VZCUPSDUHYMIAH-UHFFFAOYSA-N 2 1 347.503 3.546 20 10 EHCDMP CN(C)c1ccc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC000769403731 1133278574 /nfs/dbraw/zinc/27/85/74/1133278574.db2.gz VIQGGJGILKRPCP-OAQYLSRUSA-N 2 1 337.511 3.707 20 10 EHCDMP CN(C)c1ccc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000769403731 1133278579 /nfs/dbraw/zinc/27/85/79/1133278579.db2.gz VIQGGJGILKRPCP-OAQYLSRUSA-N 2 1 337.511 3.707 20 10 EHCDMP CN(C)c1ccc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000769403731 1133278582 /nfs/dbraw/zinc/27/85/82/1133278582.db2.gz VIQGGJGILKRPCP-OAQYLSRUSA-N 2 1 337.511 3.707 20 10 EHCDMP CCN(CC)c1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1F ZINC000770351781 1133419865 /nfs/dbraw/zinc/41/98/65/1133419865.db2.gz KUTRXEMFLISYBD-MJGOQNOKSA-N 2 1 333.495 3.588 20 10 EHCDMP CCN(CC)c1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1F ZINC000770351781 1133419869 /nfs/dbraw/zinc/41/98/69/1133419869.db2.gz KUTRXEMFLISYBD-MJGOQNOKSA-N 2 1 333.495 3.588 20 10 EHCDMP CCN(CC)c1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1F ZINC000770351781 1133419872 /nfs/dbraw/zinc/41/98/72/1133419872.db2.gz KUTRXEMFLISYBD-MJGOQNOKSA-N 2 1 333.495 3.588 20 10 EHCDMP CCN(CC)c1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1F ZINC000770351781 1133419876 /nfs/dbraw/zinc/41/98/76/1133419876.db2.gz KUTRXEMFLISYBD-MJGOQNOKSA-N 2 1 333.495 3.588 20 10 EHCDMP C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1cccc(C(F)(F)F)c1O ZINC000788732797 1134167854 /nfs/dbraw/zinc/16/78/54/1134167854.db2.gz GABNOTLAQGKVMQ-GFCCVEGCSA-N 2 1 330.394 3.794 20 10 EHCDMP CC[N@@H+](Cc1cccs1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775644326 1135384844 /nfs/dbraw/zinc/38/48/44/1135384844.db2.gz HFNFZPBGCPVKNY-UHFFFAOYSA-N 2 1 329.513 3.522 20 10 EHCDMP Cc1cc(Cl)cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1O ZINC000775740350 1135599038 /nfs/dbraw/zinc/59/90/38/1135599038.db2.gz VGXGBWKSPJOHQP-KDOFPFPSSA-N 2 1 334.891 3.803 20 10 EHCDMP CCN(CC)c1ccc(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)cc1F ZINC000817903343 1136844732 /nfs/dbraw/zinc/84/47/32/1136844732.db2.gz NPURUSWJGWYJLD-OALUTQOASA-N 2 1 327.447 3.906 20 10 EHCDMP C[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1ccc2ccccc2c1O ZINC000817939251 1136847386 /nfs/dbraw/zinc/84/73/86/1136847386.db2.gz BIBXYKRIYWSRGZ-INIZCTEOSA-N 2 1 335.451 3.771 20 10 EHCDMP C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1cccc(C(F)(F)F)c1O ZINC000844926205 1137263488 /nfs/dbraw/zinc/26/34/88/1137263488.db2.gz XTOCHGGTPYLTTO-SNVBAGLBSA-N 2 1 342.336 3.860 20 10 EHCDMP COc1cccc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1O ZINC000846167576 1137337386 /nfs/dbraw/zinc/33/73/86/1137337386.db2.gz KXYXHUFTZHJKAM-AEFFLSMTSA-N 2 1 340.467 3.574 20 10 EHCDMP COc1cccc([C@H](C)[NH2+]CCC[N@H+](C)Cc2ccccc2)c1O ZINC000846135752 1137338303 /nfs/dbraw/zinc/33/83/03/1137338303.db2.gz GMIUZAWGMWAUSF-INIZCTEOSA-N 2 1 328.456 3.574 20 10 EHCDMP COc1cccc([C@H](C)[NH2+]CCC[N@@H+](C)Cc2ccccc2)c1O ZINC000846135752 1137338304 /nfs/dbraw/zinc/33/83/04/1137338304.db2.gz GMIUZAWGMWAUSF-INIZCTEOSA-N 2 1 328.456 3.574 20 10 EHCDMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000185545273 1140154780 /nfs/dbraw/zinc/15/47/80/1140154780.db2.gz CYIWSRWKBOEJFJ-OAHLLOKOSA-N 2 1 327.472 3.907 20 10 EHCDMP C[NH+](C)Cc1c(F)cc(N2C(C)(C)CC([NH3+])CC2(C)C)cc1F ZINC001167626411 1027977110 /nfs/dbraw/zinc/97/71/10/1027977110.db2.gz KIWWNUVTQFOREK-UHFFFAOYSA-N 2 1 325.447 3.511 20 10 EHCDMP Cc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)ccc1N1CCCCC1 ZINC001167646862 1028517185 /nfs/dbraw/zinc/51/71/85/1028517185.db2.gz IDOWLWHHRUXSPQ-UNMCSNQZSA-N 2 1 341.543 3.901 20 10 EHCDMP Cc1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)ccc1N1CCCCC1 ZINC001167646862 1028517194 /nfs/dbraw/zinc/51/71/94/1028517194.db2.gz IDOWLWHHRUXSPQ-UNMCSNQZSA-N 2 1 341.543 3.901 20 10 EHCDMP Cc1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)ccc1N1CCCCC1 ZINC001167646862 1028517207 /nfs/dbraw/zinc/51/72/07/1028517207.db2.gz IDOWLWHHRUXSPQ-UNMCSNQZSA-N 2 1 341.543 3.901 20 10 EHCDMP COc1cc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c(O)c(C(C)(C)C)c1 ZINC000164398997 1035536631 /nfs/dbraw/zinc/53/66/31/1035536631.db2.gz AKTFABXXFGWVKE-MRXNPFEDSA-N 2 1 346.515 3.616 20 10 EHCDMP Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000185337334 1126868424 /nfs/dbraw/zinc/86/84/24/1126868424.db2.gz QIZNJOYUBUFALP-ICSRJNTNSA-N 2 1 338.495 3.916 20 10 EHCDMP CCOc1cccc(C[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1O ZINC000769149212 1133234968 /nfs/dbraw/zinc/23/49/68/1133234968.db2.gz YYUZDEZTAPJPTL-SFHVURJKSA-N 2 1 346.515 3.735 20 10 EHCDMP Cc1cccc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c1O ZINC000789769773 1134330113 /nfs/dbraw/zinc/33/01/13/1134330113.db2.gz QRNFVDNMAVUCKP-UHFFFAOYSA-N 2 1 325.456 3.613 20 10 EHCDMP CN(C)c1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1 ZINC001190827882 1134756059 /nfs/dbraw/zinc/75/60/59/1134756059.db2.gz QHGPMIJZFGMHTH-FQEVSTJZSA-N 2 1 329.532 3.841 20 10 EHCDMP C[C@H]1C[C@H]([NH+](C)Cc2ccc(N(C)C)cc2C(F)(F)F)CC[N@@H+]1C ZINC000792829685 1134797659 /nfs/dbraw/zinc/79/76/59/1134797659.db2.gz RAQLGFODZQMNKP-XJKSGUPXSA-N 2 1 343.437 3.686 20 10 EHCDMP C[C@H]1C[C@H]([NH+](C)Cc2ccc(N(C)C)cc2C(F)(F)F)CC[N@H+]1C ZINC000792829685 1134797662 /nfs/dbraw/zinc/79/76/62/1134797662.db2.gz RAQLGFODZQMNKP-XJKSGUPXSA-N 2 1 343.437 3.686 20 10 EHCDMP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(N(C)C)cc2C(F)(F)F)CC[NH+]1C ZINC000792829685 1134797666 /nfs/dbraw/zinc/79/76/66/1134797666.db2.gz RAQLGFODZQMNKP-XJKSGUPXSA-N 2 1 343.437 3.686 20 10 EHCDMP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(N(C)C)cc2C(F)(F)F)CC[NH+]1C ZINC000792829685 1134797669 /nfs/dbraw/zinc/79/76/69/1134797669.db2.gz RAQLGFODZQMNKP-XJKSGUPXSA-N 2 1 343.437 3.686 20 10 EHCDMP CC(C)[N@H+](C)CCC[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792899903 1134816616 /nfs/dbraw/zinc/81/66/16/1134816616.db2.gz OFXLNCJTMCHXJL-UHFFFAOYSA-N 2 1 331.426 3.591 20 10 EHCDMP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792899903 1134816621 /nfs/dbraw/zinc/81/66/21/1134816621.db2.gz OFXLNCJTMCHXJL-UHFFFAOYSA-N 2 1 331.426 3.591 20 10 EHCDMP CN(C)c1ccc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1F ZINC000793202369 1134866717 /nfs/dbraw/zinc/86/67/17/1134866717.db2.gz HWRIVVOBKXIIJS-LJQANCHMSA-N 2 1 341.474 3.503 20 10 EHCDMP CC(C)=CCC[C@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001202483860 1136403953 /nfs/dbraw/zinc/40/39/53/1136403953.db2.gz VCOZTOMAVYQFCV-KRWDZBQOSA-N 2 1 333.495 3.802 20 10 EHCDMP C[C@@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1cccc(C(F)(F)F)c1O ZINC000817950618 1136850286 /nfs/dbraw/zinc/85/02/86/1136850286.db2.gz YZTLZSQWFYGIEZ-GFCCVEGCSA-N 2 1 338.373 3.763 20 10 EHCDMP Nc1ccc(CC[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000817957986 1136852173 /nfs/dbraw/zinc/85/21/73/1136852173.db2.gz RTRHUFPJEVXNMH-YMPZKCBVSA-N 2 1 349.522 3.702 20 10 EHCDMP C[C@@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1cccc(C(F)(F)F)c1O ZINC000817968516 1136853848 /nfs/dbraw/zinc/85/38/48/1136853848.db2.gz KUNJZSBIMBOJLX-LLVKDONJSA-N 2 1 336.357 3.865 20 10 EHCDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc(N3CCCCC3)cc1)C2 ZINC001172101677 1137532404 /nfs/dbraw/zinc/53/24/04/1137532404.db2.gz HPIREXKGGDLEAO-NUZGMZIFSA-N 2 1 327.516 3.782 20 10 EHCDMP CC[C@@H](C)OCC[C@H](C)[NH2+]C1CC[NH+](Cc2ccccc2O)CC1 ZINC001172339547 1137552169 /nfs/dbraw/zinc/55/21/69/1137552169.db2.gz UYPHSWSVTRNGQD-DLBZAZTESA-N 2 1 334.504 3.540 20 10 EHCDMP Cc1ccc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)c(O)c1 ZINC000877056113 1137668830 /nfs/dbraw/zinc/66/88/30/1137668830.db2.gz YPPVDBRTOFLTKJ-VQIMIIECSA-N 2 1 330.497 3.935 20 10 EHCDMP Cc1ccc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c(O)c1 ZINC000877056108 1137668882 /nfs/dbraw/zinc/66/88/82/1137668882.db2.gz YPPVDBRTOFLTKJ-APWZRJJASA-N 2 1 330.497 3.935 20 10 EHCDMP CC1CCN(c2ccc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)cc2)CC1 ZINC000166545699 1016650084 /nfs/dbraw/zinc/65/00/84/1016650084.db2.gz HRBWYJKZMZFNAM-TZIWHRDSSA-N 2 1 327.516 3.639 20 10 EHCDMP CC[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccc(C(F)(F)F)cc1O ZINC000530218959 1025512487 /nfs/dbraw/zinc/51/24/87/1025512487.db2.gz XXQYJZCTWIOYMQ-ZFWWWQNUSA-N 2 1 328.378 3.736 20 10 EHCDMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2c(O)ccc3ccc(OC)cc32)C1 ZINC000173450313 1033339228 /nfs/dbraw/zinc/33/92/28/1033339228.db2.gz VMRMJCAEKYCUEQ-MRXNPFEDSA-N 2 1 342.483 3.718 20 10 EHCDMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2c(O)ccc3ccc(OC)cc32)C1 ZINC000173450313 1033339251 /nfs/dbraw/zinc/33/92/51/1033339251.db2.gz VMRMJCAEKYCUEQ-MRXNPFEDSA-N 2 1 342.483 3.718 20 10 EHCDMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2c(O)ccc3ccc(OC)cc32)C1 ZINC000173450313 1033339267 /nfs/dbraw/zinc/33/92/67/1033339267.db2.gz VMRMJCAEKYCUEQ-MRXNPFEDSA-N 2 1 342.483 3.718 20 10 EHCDMP C[N@@H+](Cc1ccc(N2CCCC2)cc1)C1CC[NH+](CC2CC2)CC1 ZINC001168393136 1036584517 /nfs/dbraw/zinc/58/45/17/1036584517.db2.gz XARMATVENTUYRS-UHFFFAOYSA-N 2 1 327.516 3.593 20 10 EHCDMP COc1ccc2ccc(O)c(C[N@H+](C)CCCn3cc[nH+]c3C)c2c1 ZINC000162830469 1042589741 /nfs/dbraw/zinc/58/97/41/1042589741.db2.gz OPVXMMKFPTUNCX-UHFFFAOYSA-N 2 1 339.439 3.581 20 10 EHCDMP COc1ccc2ccc(O)c(C[N@@H+](C)CCCn3cc[nH+]c3C)c2c1 ZINC000162830469 1042589744 /nfs/dbraw/zinc/58/97/44/1042589744.db2.gz OPVXMMKFPTUNCX-UHFFFAOYSA-N 2 1 339.439 3.581 20 10 EHCDMP CC[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000765406929 1127608159 /nfs/dbraw/zinc/60/81/59/1127608159.db2.gz WRDZNPKNNGGVKH-UEXGIBASSA-N 2 1 347.547 3.683 20 10 EHCDMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)cc2)CC[N@H+]1Cc1ccccc1 ZINC000379657803 1132242061 /nfs/dbraw/zinc/24/20/61/1132242061.db2.gz UMRBKAGKMSZGNO-WIYYLYMNSA-N 2 1 337.511 3.895 20 10 EHCDMP Oc1cc2c(cc1C[NH+]1CCC([NH+]3CCCCC3)CC1)CCCC2 ZINC000768440629 1133139671 /nfs/dbraw/zinc/13/96/71/1133139671.db2.gz SBDCNZFAROFEIO-UHFFFAOYSA-N 2 1 328.500 3.721 20 10 EHCDMP Cc1cccc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c1O ZINC000809702930 1135874254 /nfs/dbraw/zinc/87/42/54/1135874254.db2.gz AXIPDOPCRWEMTD-QFIPXVFZSA-N 2 1 336.479 3.799 20 10 EHCDMP Cc1cccc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1O ZINC000809702930 1135874257 /nfs/dbraw/zinc/87/42/57/1135874257.db2.gz AXIPDOPCRWEMTD-QFIPXVFZSA-N 2 1 336.479 3.799 20 10 EHCDMP Cc1cccc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1O ZINC000809702930 1135874261 /nfs/dbraw/zinc/87/42/61/1135874261.db2.gz AXIPDOPCRWEMTD-QFIPXVFZSA-N 2 1 336.479 3.799 20 10 EHCDMP CCOc1cccc(C[N@@H+](CC)Cc2ccc(C[NH+](C)C)cc2)c1O ZINC000809739183 1135883513 /nfs/dbraw/zinc/88/35/13/1135883513.db2.gz AHCURUAUWJVIKB-UHFFFAOYSA-N 2 1 342.483 3.875 20 10 EHCDMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(C(F)(F)F)c1[O-] ZINC000815561149 1136610808 /nfs/dbraw/zinc/61/08/08/1136610808.db2.gz ZRNFZCLUXPUONW-AVGNSLFASA-N 2 1 328.378 3.688 20 10 EHCDMP C[N@H+](Cc1ccc(N2CCCC2)cc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172121488 1137539073 /nfs/dbraw/zinc/53/90/73/1137539073.db2.gz JWHDGKSDFBYRPD-WKCHPHFGSA-N 2 1 327.516 3.734 20 10 EHCDMP C[N@@H+](Cc1ccc(N2CCCC2)cc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172121488 1137539075 /nfs/dbraw/zinc/53/90/75/1137539075.db2.gz JWHDGKSDFBYRPD-WKCHPHFGSA-N 2 1 327.516 3.734 20 10 EHCDMP C[NH+](Cc1ccc(N2CCCC2)cc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172121488 1137539076 /nfs/dbraw/zinc/53/90/76/1137539076.db2.gz JWHDGKSDFBYRPD-WKCHPHFGSA-N 2 1 327.516 3.734 20 10 EHCDMP C[NH+](Cc1ccc(N2CCCC2)cc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172121488 1137539078 /nfs/dbraw/zinc/53/90/78/1137539078.db2.gz JWHDGKSDFBYRPD-WKCHPHFGSA-N 2 1 327.516 3.734 20 10 EHCDMP Cc1cccc(O)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000877031796 1137668148 /nfs/dbraw/zinc/66/81/48/1137668148.db2.gz BKEZVIVOPRLUJN-IHWFROFDSA-N 2 1 336.479 3.986 20 10 EHCDMP CC[NH+]1CCC([N@H+](C)Cc2ccc(N3CCCCC3)c(C)c2)CC1 ZINC000827973655 1039189397 /nfs/dbraw/zinc/18/93/97/1039189397.db2.gz KZMFKXWFZYPLEV-UHFFFAOYSA-N 2 1 329.532 3.901 20 10 EHCDMP CC[NH+]1CCC([N@@H+](C)Cc2ccc(N3CCCCC3)c(C)c2)CC1 ZINC000827973655 1039189429 /nfs/dbraw/zinc/18/94/29/1039189429.db2.gz KZMFKXWFZYPLEV-UHFFFAOYSA-N 2 1 329.532 3.901 20 10 EHCDMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(N(C)C)cc2)[C@@H](C)C1 ZINC000248183253 1040714619 /nfs/dbraw/zinc/71/46/19/1040714619.db2.gz WWJSXRCRFGDMCE-UEXGIBASSA-N 2 1 347.547 3.540 20 10 EHCDMP CCOc1cccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)c1O ZINC000769149255 1133234729 /nfs/dbraw/zinc/23/47/29/1133234729.db2.gz ZMHCOJRQERLQSD-QZTJIDSGSA-N 2 1 346.515 3.877 20 10 EHCDMP CCOc1cccc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)c1O ZINC000769149255 1133234733 /nfs/dbraw/zinc/23/47/33/1133234733.db2.gz ZMHCOJRQERLQSD-QZTJIDSGSA-N 2 1 346.515 3.877 20 10 EHCDMP CCOc1cccc(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)c1O ZINC000769149255 1133234739 /nfs/dbraw/zinc/23/47/39/1133234739.db2.gz ZMHCOJRQERLQSD-QZTJIDSGSA-N 2 1 346.515 3.877 20 10 EHCDMP Oc1ccccc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000770506216 1133435984 /nfs/dbraw/zinc/43/59/84/1133435984.db2.gz ZEZCULSJOMAONC-PZJWPPBQSA-N 2 1 336.479 3.879 20 10 EHCDMP Oc1ccccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000770506216 1133435986 /nfs/dbraw/zinc/43/59/86/1133435986.db2.gz ZEZCULSJOMAONC-PZJWPPBQSA-N 2 1 336.479 3.879 20 10 EHCDMP Oc1ccccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000770506216 1133435989 /nfs/dbraw/zinc/43/59/89/1133435989.db2.gz ZEZCULSJOMAONC-PZJWPPBQSA-N 2 1 336.479 3.879 20 10 EHCDMP CC[NH+](CC)CCOCC[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1O ZINC000774347153 1133668694 /nfs/dbraw/zinc/66/86/94/1133668694.db2.gz JRYNIZWIZVIVRS-GFCCVEGCSA-N 2 1 349.302 3.708 20 10 EHCDMP C[C@@H]1CCC[N@H+](CCCC[NH2+]Cc2c(O)ccc(Cl)c2F)C1 ZINC000790950304 1134484041 /nfs/dbraw/zinc/48/40/41/1134484041.db2.gz VRLOUCJXEFVUFM-CYBMUJFWSA-N 2 1 328.859 3.786 20 10 EHCDMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2c(O)ccc(Cl)c2F)C1 ZINC000790950304 1134484045 /nfs/dbraw/zinc/48/40/45/1134484045.db2.gz VRLOUCJXEFVUFM-CYBMUJFWSA-N 2 1 328.859 3.786 20 10 EHCDMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000792938914 1134820983 /nfs/dbraw/zinc/82/09/83/1134820983.db2.gz GXJPZINQWVUCJJ-CQSZACIVSA-N 2 1 343.437 3.593 20 10 EHCDMP C[NH+]1CCN(c2ccc(C[N@@H+](Cc3ccccc3)C3CC3)cc2)CC1 ZINC000775647831 1135398144 /nfs/dbraw/zinc/39/81/44/1135398144.db2.gz BXVIWFUAYNMDLM-UHFFFAOYSA-N 2 1 335.495 3.603 20 10 EHCDMP CCS[C@H]1CC[C@H]([N@@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775735557 1135592241 /nfs/dbraw/zinc/59/22/41/1135592241.db2.gz SDXDVFAUCBFESM-PMACEKPBSA-N 2 1 347.572 3.544 20 10 EHCDMP CCN(CC)c1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1F ZINC000809705626 1135874785 /nfs/dbraw/zinc/87/47/85/1135874785.db2.gz YHTIDUQIBDMJDH-JWTNVVGKSA-N 2 1 333.495 3.729 20 10 EHCDMP CCN(CC)c1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1F ZINC000809705626 1135874788 /nfs/dbraw/zinc/87/47/88/1135874788.db2.gz YHTIDUQIBDMJDH-JWTNVVGKSA-N 2 1 333.495 3.729 20 10 EHCDMP CCN(CC)c1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1F ZINC000809705626 1135874791 /nfs/dbraw/zinc/87/47/91/1135874791.db2.gz YHTIDUQIBDMJDH-JWTNVVGKSA-N 2 1 333.495 3.729 20 10 EHCDMP CCN(CC)c1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1F ZINC000809705626 1135874795 /nfs/dbraw/zinc/87/47/95/1135874795.db2.gz YHTIDUQIBDMJDH-JWTNVVGKSA-N 2 1 333.495 3.729 20 10 EHCDMP COc1cc(C[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)c(O)c(C(C)(C)C)c1 ZINC000850120076 1136212421 /nfs/dbraw/zinc/21/24/21/1136212421.db2.gz VNWOFYAKWHYHQU-MRXNPFEDSA-N 2 1 348.531 3.908 20 10 EHCDMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)c1c(O)cccc1F ZINC000886493397 1138083130 /nfs/dbraw/zinc/08/31/30/1138083130.db2.gz JJIXVCRNYYFZFA-HNNXBMFYSA-N 2 1 328.431 3.978 20 10 EHCDMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](CC)c2ccc(C)cc2O)[C@H](C)C1 ZINC000280054355 1020039340 /nfs/dbraw/zinc/03/93/40/1020039340.db2.gz JUZXNMPHUFRTPF-HOJAQTOUSA-N 2 1 348.531 3.878 20 10 EHCDMP Oc1ccccc1[C@H](CCc1ccccc1)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530215680 1025509687 /nfs/dbraw/zinc/50/96/87/1025509687.db2.gz HUZDTOYOWFHSNQ-PZJWPPBQSA-N 2 1 336.479 3.940 20 10 EHCDMP CC[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccc(C(F)(F)F)cc1O ZINC000530218954 1025512427 /nfs/dbraw/zinc/51/24/27/1025512427.db2.gz XXQYJZCTWIOYMQ-HIFRSBDPSA-N 2 1 328.378 3.736 20 10 EHCDMP CCCCN(CCCC)c1ccc(C[N@@H+]2CCC[NH2+]CC2)c(O)c1 ZINC001204683854 1027467270 /nfs/dbraw/zinc/46/72/70/1027467270.db2.gz CCBWIXPEFQMNEK-UHFFFAOYSA-N 2 1 333.520 3.594 20 10 EHCDMP CCCCN(CCCC)c1ccc(C[N@H+]2CCC[NH2+]CC2)c(O)c1 ZINC001204683854 1027467283 /nfs/dbraw/zinc/46/72/83/1027467283.db2.gz CCBWIXPEFQMNEK-UHFFFAOYSA-N 2 1 333.520 3.594 20 10 EHCDMP CCN(CC)c1ccc(C[NH2+]C2CC[NH+](C3CCC3)CC2)cc1F ZINC000740003890 1131516140 /nfs/dbraw/zinc/51/61/40/1131516140.db2.gz ANQRXXBFEHJVGZ-UHFFFAOYSA-N 2 1 333.495 3.778 20 10 EHCDMP CCOc1cccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1O ZINC000769318321 1133260658 /nfs/dbraw/zinc/26/06/58/1133260658.db2.gz UUQCSALYLHIWHS-SFHVURJKSA-N 2 1 346.515 3.879 20 10 EHCDMP C[N@H+]1CC[C@]2(CC[NH+](Cc3c4c(ccc3O)oc3c4CCCC3)C2)C1 ZINC000793768038 1134986920 /nfs/dbraw/zinc/98/69/20/1134986920.db2.gz QAENZALRUVJBHE-NRFANRHFSA-N 2 1 340.467 3.545 20 10 EHCDMP C[NH+]1CC[C@]2(CC[N@H+](Cc3c4c(ccc3O)oc3c4CCCC3)C2)C1 ZINC000793768038 1134986922 /nfs/dbraw/zinc/98/69/22/1134986922.db2.gz QAENZALRUVJBHE-NRFANRHFSA-N 2 1 340.467 3.545 20 10 EHCDMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3c4c(ccc3O)oc3c4CCCC3)C2)C1 ZINC000793768038 1134986926 /nfs/dbraw/zinc/98/69/26/1134986926.db2.gz QAENZALRUVJBHE-NRFANRHFSA-N 2 1 340.467 3.545 20 10 EHCDMP CC[N@@H+](CCC1CC[NH+](Cc2cccc(OC)c2O)CC1)CC(C)C ZINC000809755995 1135887004 /nfs/dbraw/zinc/88/70/04/1135887004.db2.gz NLBCNZLGPYBNDA-UHFFFAOYSA-N 2 1 348.531 3.981 20 10 EHCDMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3ccc(N4CCCCC4)cc3)C2)CC1 ZINC000809756895 1135887707 /nfs/dbraw/zinc/88/77/07/1135887707.db2.gz UXYUNMAJIHOAPP-OAQYLSRUSA-N 2 1 341.543 3.841 20 10 EHCDMP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(N(C)C)cc1 ZINC000853241078 1136521315 /nfs/dbraw/zinc/52/13/15/1136521315.db2.gz UGJWCAGMNXFNAI-WIYYLYMNSA-N 2 1 329.532 3.915 20 10 EHCDMP C[C@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccc(F)cc1O ZINC000817979577 1136854933 /nfs/dbraw/zinc/85/49/33/1136854933.db2.gz LXJFKSWTTDOOOZ-ZUEVXXBESA-N 2 1 346.421 3.714 20 10 EHCDMP CC[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(C)cc1O ZINC000794804494 1137255296 /nfs/dbraw/zinc/25/52/96/1137255296.db2.gz MXXAFPAXNCCPMS-SCTDSRPQSA-N 2 1 334.504 3.631 20 10 EHCDMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cc(OC)c(C)cc2O)CC1 ZINC000160231472 1014625559 /nfs/dbraw/zinc/62/55/59/1014625559.db2.gz ZTIZEKOKNLOFGG-UHFFFAOYSA-N 2 1 334.504 3.653 20 10 EHCDMP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cc(Br)ccc1O ZINC000044534537 1025937322 /nfs/dbraw/zinc/93/73/22/1025937322.db2.gz IINPGTBMAFFWDO-IUODEOHRSA-N 2 1 341.293 3.537 20 10 EHCDMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc(-c4ccccc4)ccc3O)CC[C@H]21 ZINC000770353653 1133420322 /nfs/dbraw/zinc/42/03/22/1133420322.db2.gz SXPKVFCUSBGZQM-TZIWHRDSSA-N 2 1 336.479 3.975 20 10 EHCDMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc(-c4ccccc4)ccc3O)CC[C@H]21 ZINC000770353653 1133420326 /nfs/dbraw/zinc/42/03/26/1133420326.db2.gz SXPKVFCUSBGZQM-TZIWHRDSSA-N 2 1 336.479 3.975 20 10 EHCDMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc(-c4ccccc4)ccc3O)CC[C@H]21 ZINC000770353653 1133420329 /nfs/dbraw/zinc/42/03/29/1133420329.db2.gz SXPKVFCUSBGZQM-TZIWHRDSSA-N 2 1 336.479 3.975 20 10 EHCDMP Cc1cc(C)c(O)c(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000788381075 1134118885 /nfs/dbraw/zinc/11/88/85/1134118885.db2.gz BHENQAKYHWHYDT-UHFFFAOYSA-N 2 1 339.483 3.921 20 10 EHCDMP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ccc(Br)cc1O ZINC000858490632 1136972863 /nfs/dbraw/zinc/97/28/63/1136972863.db2.gz KYTLAIRDMZHSPK-STQMWFEESA-N 2 1 341.293 3.537 20 10 EHCDMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc(Br)cc1O ZINC000858490632 1136972865 /nfs/dbraw/zinc/97/28/65/1136972865.db2.gz KYTLAIRDMZHSPK-STQMWFEESA-N 2 1 341.293 3.537 20 10 EHCDMP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2cc(F)cc(F)c2O)c1 ZINC000882901133 1137837240 /nfs/dbraw/zinc/83/72/40/1137837240.db2.gz AFSICCPCLPIGGI-UHFFFAOYSA-N 2 1 334.410 3.802 20 10 EHCDMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(N2CCCCC2)cc1 ZINC000152462383 1139091807 /nfs/dbraw/zinc/09/18/07/1139091807.db2.gz KERLKKFVTIQCGY-ROUUACIJSA-N 2 1 327.516 3.812 20 10 EHCDMP CCN(CC)c1ccc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cc1F ZINC000172672204 1032839249 /nfs/dbraw/zinc/83/92/49/1032839249.db2.gz AFDRJARDJASWGX-HNNXBMFYSA-N 2 1 332.467 3.603 20 10 EHCDMP CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccccc1O ZINC000155627795 1040830410 /nfs/dbraw/zinc/83/04/10/1040830410.db2.gz DAMRAHLZLPEIEH-PZJWPPBQSA-N 2 1 338.495 3.998 20 10 EHCDMP C[C@@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1ccc(N2CCCCC2)cc1 ZINC000278858490 1042597067 /nfs/dbraw/zinc/59/70/67/1042597067.db2.gz ATOSSGVMCPPQJF-MSOLQXFVSA-N 2 1 338.499 3.787 20 10 EHCDMP Cc1ccc([C@H](C)[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)c(O)c1 ZINC000185337598 1126869443 /nfs/dbraw/zinc/86/94/43/1126869443.db2.gz VZTOXHUNYUBHKL-AZUAARDMSA-N 2 1 338.495 3.916 20 10 EHCDMP Cc1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)c(O)c1 ZINC000185337578 1126869502 /nfs/dbraw/zinc/86/95/02/1126869502.db2.gz VZTOXHUNYUBHKL-UYAOXDASSA-N 2 1 338.495 3.916 20 10 EHCDMP Cc1cc(N(C)C)ccc1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000742371192 1131716326 /nfs/dbraw/zinc/71/63/26/1131716326.db2.gz JLACVHQHHMCSEV-UHFFFAOYSA-N 2 1 337.511 3.815 20 10 EHCDMP Cc1cc(O)c(C[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cc1C ZINC000769148735 1133233748 /nfs/dbraw/zinc/23/37/48/1133233748.db2.gz QQGNSBUXJDIIPJ-LJQANCHMSA-N 2 1 330.516 3.953 20 10 EHCDMP CC[C@@H]([NH2+]CCN1CC[C@H](C)C1)c1cc(Br)ccc1[O-] ZINC000775511091 1134980074 /nfs/dbraw/zinc/98/00/74/1134980074.db2.gz BECQALTUZAAQGN-SWLSCSKDSA-N 2 1 341.293 3.537 20 10 EHCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H]3c3ccsc3)cc2)CC1 ZINC000775652781 1135422545 /nfs/dbraw/zinc/42/25/45/1135422545.db2.gz TVMOAJLFYJHIIX-FQEVSTJZSA-N 2 1 341.524 3.837 20 10 EHCDMP CCS[C@@H]1CCCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775698712 1135532456 /nfs/dbraw/zinc/53/24/56/1135532456.db2.gz WGGWBNUFTKYYGS-HXUWFJFHSA-N 2 1 347.572 3.546 20 10 EHCDMP CCS[C@H]1CC[C@@H]([N@@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775735558 1135592096 /nfs/dbraw/zinc/59/20/96/1135592096.db2.gz SDXDVFAUCBFESM-UXHICEINSA-N 2 1 347.572 3.544 20 10 EHCDMP CCN(CC)c1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1F ZINC000816642133 1136743604 /nfs/dbraw/zinc/74/36/04/1136743604.db2.gz QBSXXNLXFYDCAS-HXUWFJFHSA-N 2 1 333.495 3.590 20 10 EHCDMP CCN(CC)c1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1F ZINC000816642133 1136743606 /nfs/dbraw/zinc/74/36/06/1136743606.db2.gz QBSXXNLXFYDCAS-HXUWFJFHSA-N 2 1 333.495 3.590 20 10 EHCDMP CCN(CC)c1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)cc1F ZINC000816642133 1136743608 /nfs/dbraw/zinc/74/36/08/1136743608.db2.gz QBSXXNLXFYDCAS-HXUWFJFHSA-N 2 1 333.495 3.590 20 10 EHCDMP CCN(CC)c1ccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1F ZINC000816642133 1136743610 /nfs/dbraw/zinc/74/36/10/1136743610.db2.gz QBSXXNLXFYDCAS-HXUWFJFHSA-N 2 1 333.495 3.590 20 10 EHCDMP C[NH2+]Cc1ccccc1C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000844926399 1137263375 /nfs/dbraw/zinc/26/33/75/1137263375.db2.gz ZMIHBJVHROMZAN-GFCCVEGCSA-N 2 1 338.373 3.981 20 10 EHCDMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2cccc(OC)c2O)c1 ZINC000846146059 1137338972 /nfs/dbraw/zinc/33/89/72/1137338972.db2.gz PQPZMLNKNFRFDL-OAHLLOKOSA-N 2 1 328.456 3.703 20 10 EHCDMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3ccccc3O)CC2)oc1C ZINC000183509067 1140043009 /nfs/dbraw/zinc/04/30/09/1140043009.db2.gz HEZIPYYUBUNOLX-HNNXBMFYSA-N 2 1 343.471 3.560 20 10 EHCDMP COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1O ZINC000184696605 1140115688 /nfs/dbraw/zinc/11/56/88/1140115688.db2.gz BHJQZHJGGPTBPS-MRXNPFEDSA-N 2 1 338.879 3.505 20 10 EHCDMP COc1cc(Cl)cc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1O ZINC000184696605 1140115690 /nfs/dbraw/zinc/11/56/90/1140115690.db2.gz BHJQZHJGGPTBPS-MRXNPFEDSA-N 2 1 338.879 3.505 20 10 EHCDMP COc1cc(C[NH+]2CCC([NH2+]C3CCC3)CC2)c(O)c(C(C)(C)C)c1 ZINC000897982978 1033279509 /nfs/dbraw/zinc/27/95/09/1033279509.db2.gz UBCIOXLNWIGFBH-UHFFFAOYSA-N 2 1 346.515 3.805 20 10 EHCDMP COc1cc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)c(O)c(C(C)(C)C)c1 ZINC000164533154 1035656570 /nfs/dbraw/zinc/65/65/70/1035656570.db2.gz PBZAUHYMVKAOEP-KXBFYZLASA-N 2 1 346.515 3.614 20 10 EHCDMP COc1cc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c(O)c(C(C)(C)C)c1 ZINC000164533154 1035656583 /nfs/dbraw/zinc/65/65/83/1035656583.db2.gz PBZAUHYMVKAOEP-KXBFYZLASA-N 2 1 346.515 3.614 20 10 EHCDMP COc1cc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c(O)c(C(C)(C)C)c1 ZINC000164533154 1035656591 /nfs/dbraw/zinc/65/65/91/1035656591.db2.gz PBZAUHYMVKAOEP-KXBFYZLASA-N 2 1 346.515 3.614 20 10 EHCDMP COc1ccc(O)c([C@@H](C)[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000192874067 1040927736 /nfs/dbraw/zinc/92/77/36/1040927736.db2.gz DLLZFDYEOZYVCS-MRXNPFEDSA-N 2 1 340.467 3.716 20 10 EHCDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000185346760 1126874351 /nfs/dbraw/zinc/87/43/51/1126874351.db2.gz LRTUPBPJVYLEQX-LSDHHAIUSA-N 2 1 327.472 3.763 20 10 EHCDMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2ccc(N(C)C)cc2)C1 ZINC000769147939 1133232323 /nfs/dbraw/zinc/23/23/23/1133232323.db2.gz IXVKCTWCJFCJCP-QUCCMNQESA-N 2 1 329.532 3.839 20 10 EHCDMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccc(N(C)C)cc2)C1 ZINC000769147939 1133232330 /nfs/dbraw/zinc/23/23/30/1133232330.db2.gz IXVKCTWCJFCJCP-QUCCMNQESA-N 2 1 329.532 3.839 20 10 EHCDMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccc(N(C)C)cc2)C1 ZINC000769147939 1133232336 /nfs/dbraw/zinc/23/23/36/1133232336.db2.gz IXVKCTWCJFCJCP-QUCCMNQESA-N 2 1 329.532 3.839 20 10 EHCDMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000769147939 1133232342 /nfs/dbraw/zinc/23/23/42/1133232342.db2.gz IXVKCTWCJFCJCP-QUCCMNQESA-N 2 1 329.532 3.839 20 10 EHCDMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000769147939 1133232350 /nfs/dbraw/zinc/23/23/50/1133232350.db2.gz IXVKCTWCJFCJCP-QUCCMNQESA-N 2 1 329.532 3.839 20 10 EHCDMP CCOc1ccc(O)c(C[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000769149008 1133235314 /nfs/dbraw/zinc/23/53/14/1133235314.db2.gz WUTABHWLPLUVDB-SFHVURJKSA-N 2 1 346.515 3.735 20 10 EHCDMP COc1cccc(C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)c1O ZINC000769541491 1133300574 /nfs/dbraw/zinc/30/05/74/1133300574.db2.gz BYSULVDVIRGRSD-QGZVFWFLSA-N 2 1 346.515 3.877 20 10 EHCDMP CCN(C)c1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000773840942 1133342937 /nfs/dbraw/zinc/34/29/37/1133342937.db2.gz VDLJKPITZRAPIZ-PKOBYXMFSA-N 2 1 329.532 3.885 20 10 EHCDMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(N(C)C)cc2C(F)(F)F)CC[N@@H+]1C ZINC000792829683 1134798263 /nfs/dbraw/zinc/79/82/63/1134798263.db2.gz RAQLGFODZQMNKP-CZUORRHYSA-N 2 1 343.437 3.686 20 10 EHCDMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(N(C)C)cc2C(F)(F)F)CC[N@H+]1C ZINC000792829683 1134798269 /nfs/dbraw/zinc/79/82/69/1134798269.db2.gz RAQLGFODZQMNKP-CZUORRHYSA-N 2 1 343.437 3.686 20 10 EHCDMP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(N(C)C)cc2C(F)(F)F)CC[NH+]1C ZINC000792829683 1134798271 /nfs/dbraw/zinc/79/82/71/1134798271.db2.gz RAQLGFODZQMNKP-CZUORRHYSA-N 2 1 343.437 3.686 20 10 EHCDMP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(N(C)C)cc2C(F)(F)F)CC[NH+]1C ZINC000792829683 1134798277 /nfs/dbraw/zinc/79/82/77/1134798277.db2.gz RAQLGFODZQMNKP-CZUORRHYSA-N 2 1 343.437 3.686 20 10 EHCDMP C[C@@H]1c2ccccc2CC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775680469 1135504441 /nfs/dbraw/zinc/50/44/41/1135504441.db2.gz FUCMHWGPQVDXGV-GOSISDBHSA-N 2 1 335.495 3.558 20 10 EHCDMP CCOCc1cc(C[NH2+]CC[C@@H](C)[NH+]2CCCCC2)ccc1OC ZINC001201954088 1136077890 /nfs/dbraw/zinc/07/78/90/1136077890.db2.gz HDFRPXMLHQSRGX-QGZVFWFLSA-N 2 1 334.504 3.586 20 10 EHCDMP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1cc(Cl)c(Cl)cc1O ZINC000817987848 1136855518 /nfs/dbraw/zinc/85/55/18/1136855518.db2.gz YUNRVLHSVCHIRP-FIQHERPVSA-N 2 1 329.271 3.738 20 10 EHCDMP Oc1ccccc1C[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)C1CCCC1 ZINC000824778925 1137151588 /nfs/dbraw/zinc/15/15/88/1137151588.db2.gz VJPHWZHJHAOZLB-UHFFFAOYSA-N 2 1 348.450 3.918 20 10 EHCDMP COc1cccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1O ZINC000846166117 1137337292 /nfs/dbraw/zinc/33/72/92/1137337292.db2.gz SUFCJTYHHYZMKM-HRCADAONSA-N 2 1 332.488 3.704 20 10 EHCDMP COc1cccc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1O ZINC000846167578 1137337328 /nfs/dbraw/zinc/33/73/28/1137337328.db2.gz KXYXHUFTZHJKAM-SJLPKXTDSA-N 2 1 340.467 3.574 20 10 EHCDMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)c1c(O)cccc1F ZINC000886493398 1138083149 /nfs/dbraw/zinc/08/31/49/1138083149.db2.gz JJIXVCRNYYFZFA-OAHLLOKOSA-N 2 1 328.431 3.978 20 10 EHCDMP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1c(O)cccc1F ZINC000886496647 1138083916 /nfs/dbraw/zinc/08/39/16/1138083916.db2.gz BKNUYDDDNHQTRQ-HNNXBMFYSA-N 2 1 328.431 3.978 20 10 EHCDMP CC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1)c1ccc(N(C)C)cc1 ZINC000126394075 1138330252 /nfs/dbraw/zinc/33/02/52/1138330252.db2.gz JOJRVKGXDAKGSM-FQEVSTJZSA-N 2 1 349.482 3.883 20 10 EHCDMP