smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000769735678 1078553692 /nfs/dbraw/zinc/55/36/92/1078553692.db2.gz NGMPBRBAAARZFA-UHFFFAOYSA-N 1 0 409.483 2.107 20 10 HECDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000769957268 1078651740 /nfs/dbraw/zinc/65/17/40/1078651740.db2.gz KQUOZXBBOKUYKR-DNVCBOLYSA-N 1 0 417.531 2.404 20 10 HECDRO CC[NH+]1CCN(c2ccc(CNC(=O)NC[C@@H](C)C(=O)OC(C)C)cc2F)CC1 ZINC000745808420 1078655611 /nfs/dbraw/zinc/65/56/11/1078655611.db2.gz LIBUMTXNFAIAMQ-MRXNPFEDSA-N 1 0 408.518 2.355 20 10 HECDRO CC[NH+]1CCN(CCC(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)CC1 ZINC000746018833 1078735388 /nfs/dbraw/zinc/73/53/88/1078735388.db2.gz NUSQDGPDELDANO-JOCHJYFZSA-N 1 0 402.583 2.288 20 10 HECDRO Fc1cc(C[NH2+]Cc2cnc3cnccn23)ccc1N1CCN(c2ncccn2)CC1 ZINC000746465862 1079025582 /nfs/dbraw/zinc/02/55/82/1079025582.db2.gz HEWQZJLPPLULEQ-UHFFFAOYSA-N 1 0 418.480 2.275 20 10 HECDRO COc1ccc(N2CCC(NC(=O)C(=O)NCC[C@@H](C)[NH+]3CCCCC3)CC2)cc1 ZINC000804319069 1079241722 /nfs/dbraw/zinc/24/17/22/1079241722.db2.gz XJTDSHVIFGQNHA-GOSISDBHSA-N 1 0 416.566 2.161 20 10 HECDRO CN(C)c1ccc(CNC(=O)C[NH+]2CCC3(C[C@H]3C(=O)N3CCCCC3)CC2)cc1 ZINC000771466331 1079363172 /nfs/dbraw/zinc/36/31/72/1079363172.db2.gz AKXFERHIHVSZKN-NRFANRHFSA-N 1 0 412.578 2.483 20 10 HECDRO O=C(CN1CCC[C@@H]([NH+]2CCCC2)CC1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000738336182 1075984129 /nfs/dbraw/zinc/98/41/29/1075984129.db2.gz ZOGTYAHZSXZLKP-HXUWFJFHSA-N 1 0 418.557 2.229 20 10 HECDRO COc1ccc(N2CC[NH+](CCCNC(=O)N3CCC([C@@H](C)O)CC3)CC2)cc1 ZINC000738969745 1076028115 /nfs/dbraw/zinc/02/81/15/1076028115.db2.gz LZJHMODPSGWFQG-GOSISDBHSA-N 1 0 404.555 2.010 20 10 HECDRO CCN(CC)c1ccc(C[NH2+]CCS(=O)(=O)NC[C@@H]2CCCCO2)cc1F ZINC000740005443 1076091747 /nfs/dbraw/zinc/09/17/47/1076091747.db2.gz CJQLIQFKGHFAMQ-KRWDZBQOSA-N 1 0 401.548 2.250 20 10 HECDRO CC[NH+]1CCN(c2ccc(CNC(=O)NC[C@H](O)c3ccc(C)o3)cc2F)CC1 ZINC000741413609 1076514843 /nfs/dbraw/zinc/51/48/43/1076514843.db2.gz OUXAQJCEFRGJON-IBGZPJMESA-N 1 0 404.486 2.402 20 10 HECDRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000743315703 1077027380 /nfs/dbraw/zinc/02/73/80/1077027380.db2.gz ZJILRZXKJOYBRR-NRFANRHFSA-N 1 0 407.530 2.196 20 10 HECDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 ZINC000743736432 1077105151 /nfs/dbraw/zinc/10/51/51/1077105151.db2.gz XPOFLBQKYJCURD-QGZVFWFLSA-N 1 0 403.504 2.110 20 10 HECDRO CC[N@H+](Cc1cc(Br)ccc1O)[C@@H](C)C(=O)N1CCN(C(C)=O)CC1 ZINC000743870931 1077155948 /nfs/dbraw/zinc/15/59/48/1077155948.db2.gz IAJCJIJLXQOWIY-ZDUSSCGKSA-N 1 0 412.328 2.056 20 10 HECDRO CC[N@H+](CC(=O)N1CCC2(CC1)OCCO2)Cc1cc(Br)ccc1O ZINC000744426636 1077389961 /nfs/dbraw/zinc/38/99/61/1077389961.db2.gz SESAONOAJYGJNR-UHFFFAOYSA-N 1 0 413.312 2.342 20 10 HECDRO CC1CC[NH+](CCCNC(=O)C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)CC1 ZINC000785519823 1080032948 /nfs/dbraw/zinc/03/29/48/1080032948.db2.gz IGJLCFJGRCWKKZ-FQEVSTJZSA-N 1 0 417.550 2.138 20 10 HECDRO CN(C)c1ccc(CNC(=O)C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1F ZINC000785538747 1080048129 /nfs/dbraw/zinc/04/81/29/1080048129.db2.gz FXCWYEVIFMERNO-UHFFFAOYSA-N 1 0 412.509 2.420 20 10 HECDRO CCOC(=O)c1cnn2c1[nH]c(CN1CC[C@H]([N@H+](C)Cc3ccccc3)C1)cc2=O ZINC000746485646 1080056597 /nfs/dbraw/zinc/05/65/97/1080056597.db2.gz ZKWZAFLFEIVXHH-SFHVURJKSA-N 1 0 409.490 2.318 20 10 HECDRO COCC[C@@H]1CCCC[N@H+](C[C@@H](O)CN2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000767943624 1080236042 /nfs/dbraw/zinc/23/60/42/1080236042.db2.gz ZZCLTZAHFYYLJR-UNMCSNQZSA-N 1 0 405.583 2.317 20 10 HECDRO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768465303 1080585864 /nfs/dbraw/zinc/58/58/64/1080585864.db2.gz GFNAUEDECQQLQM-BLLLJJGKSA-N 1 0 402.413 2.441 20 10 HECDRO NC(=O)COc1ccc(C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)cc1 ZINC000768542748 1080619231 /nfs/dbraw/zinc/61/92/31/1080619231.db2.gz HCPAVYQCCOVMQS-UHFFFAOYSA-N 1 0 422.529 2.013 20 10 HECDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)N[C@H]1CCc2n[nH]cc2C1 ZINC000768742034 1080766206 /nfs/dbraw/zinc/76/62/06/1080766206.db2.gz QWIXBNYDDKTXDV-FQEVSTJZSA-N 1 0 408.550 2.298 20 10 HECDRO CS[C@H](CO)[C@H](C)NC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768943104 1080845484 /nfs/dbraw/zinc/84/54/84/1080845484.db2.gz DCUXQLQTXHNNHR-OXJNMPFZSA-N 1 0 406.596 2.130 20 10 HECDRO CC(C)(C)S(=O)(=O)CC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768910242 1080850271 /nfs/dbraw/zinc/85/02/71/1080850271.db2.gz CTGCTANWHYLGTD-UHFFFAOYSA-N 1 0 407.580 2.048 20 10 HECDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1ccc(-n2cnnn2)cc1 ZINC000768912713 1080851319 /nfs/dbraw/zinc/85/13/19/1080851319.db2.gz CXTZMRSMWJDSNK-UHFFFAOYSA-N 1 0 417.517 2.124 20 10 HECDRO CCC(=O)N1CSC[C@@H]1C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000768914624 1080853830 /nfs/dbraw/zinc/85/38/30/1080853830.db2.gz FSCDBQVRVDAGTL-JKSUJKDBSA-N 1 0 411.955 2.438 20 10 HECDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)C1(C(=O)NC2CC2)CCC1 ZINC000768914351 1080854318 /nfs/dbraw/zinc/85/43/18/1080854318.db2.gz WRURFMCRKSLPCJ-UHFFFAOYSA-N 1 0 410.562 2.284 20 10 HECDRO Cc1nn(C)c(C)c1C(=O)C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768914499 1080854399 /nfs/dbraw/zinc/85/43/99/1080854399.db2.gz XQKTXHYZQNLLPW-UHFFFAOYSA-N 1 0 409.534 2.068 20 10 HECDRO C[C@@H]1[C@H](C)[S@](=O)CCN1C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000769039539 1080892146 /nfs/dbraw/zinc/89/21/46/1080892146.db2.gz XGVVIKRSAPZXKI-UOSLOYJQSA-N 1 0 418.607 2.270 20 10 HECDRO CN(CC(=O)NC(C)(C)C)C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000769049394 1080895130 /nfs/dbraw/zinc/89/51/30/1080895130.db2.gz NOJUDJFHPFUNKY-UHFFFAOYSA-N 1 0 415.582 2.275 20 10 HECDRO COc1ccc(N2CC[NH+](CCCNC(=O)NCCc3cscn3)CC2)cc1 ZINC000769017706 1080899353 /nfs/dbraw/zinc/89/93/53/1080899353.db2.gz STVZGAIZJLVMOW-UHFFFAOYSA-N 1 0 403.552 2.206 20 10 HECDRO COc1ccc(N2CC[NH+](C[C@@H](O)COc3ccc(-c4ncn(C)n4)cc3)CC2)cc1 ZINC000787251119 1081072434 /nfs/dbraw/zinc/07/24/34/1081072434.db2.gz DMZPWKIJEOFYQD-HXUWFJFHSA-N 1 0 423.517 2.053 20 10 HECDRO CC[NH+]1CCN(c2cccc(NS(=O)(=O)c3cccc(C(=O)OC)c3)c2)CC1 ZINC000769846615 1078605292 /nfs/dbraw/zinc/60/52/92/1078605292.db2.gz AHUMODOEMMBADV-UHFFFAOYSA-N 1 0 403.504 2.416 20 10 HECDRO CC[NH+]1CCN(c2cccc(NS(=O)(=O)c3ccc(CC(=O)OC)cc3)c2)CC1 ZINC000769846703 1078606230 /nfs/dbraw/zinc/60/62/30/1078606230.db2.gz COESYWVKFNUCAZ-UHFFFAOYSA-N 1 0 417.531 2.345 20 10 HECDRO CO[C@H](C)c1noc(CN2CCC[N@H+](Cc3ccc(N4CCOCC4)cc3)CC2)n1 ZINC000770283791 1078807078 /nfs/dbraw/zinc/80/70/78/1078807078.db2.gz YCFJRAFBEZOCIO-GOSISDBHSA-N 1 0 415.538 2.322 20 10 HECDRO CNC(=O)CCOC1CC[NH+](Cc2cc(Br)cc(OC)c2O)CC1 ZINC000770287308 1078808934 /nfs/dbraw/zinc/80/89/34/1078808934.db2.gz XDSALNUJQRZFPX-UHFFFAOYSA-N 1 0 401.301 2.280 20 10 HECDRO NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)N3CC[C@@H](C[NH+]4CCCC4)C3)cc2)C1 ZINC000746413183 1078906747 /nfs/dbraw/zinc/90/67/47/1078906747.db2.gz CIJGWPLZSVIEKL-PMACEKPBSA-N 1 0 413.566 2.016 20 10 HECDRO O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000746414356 1078908069 /nfs/dbraw/zinc/90/80/69/1078908069.db2.gz CONJHLSNVPLBRJ-GOSISDBHSA-N 1 0 404.530 2.414 20 10 HECDRO COC(COCCNC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2)OC ZINC000770769434 1078987576 /nfs/dbraw/zinc/98/75/76/1078987576.db2.gz XYBDKCSQAXOFQO-UHFFFAOYSA-N 1 0 403.523 2.160 20 10 HECDRO C[C@@H]1CN(c2ccc(CNC(=O)CN3CC[N@H+](C)[C@H](C)[C@H]3C)cc2F)C[C@H](C)O1 ZINC000771457714 1079332354 /nfs/dbraw/zinc/33/23/54/1079332354.db2.gz ASUJHSUQBOUGNM-XMTFNYHQSA-N 1 0 406.546 2.080 20 10 HECDRO CCC[C@@H]1CN(C(=O)NCc2ccc(N3CCOCC3)cc2)CC[N@@H+]1CCOC ZINC000766775026 1079356899 /nfs/dbraw/zinc/35/68/99/1079356899.db2.gz GAAKKOMJHGIQIB-OAQYLSRUSA-N 1 0 404.555 2.166 20 10 HECDRO CC[NH+]1CCN(c2cccc(NC(=O)c3cccc(S(N)(=O)=O)c3C)c2)CC1 ZINC000771637075 1079444106 /nfs/dbraw/zinc/44/41/06/1079444106.db2.gz NMNHVRNUDMOKQK-UHFFFAOYSA-N 1 0 402.520 2.037 20 10 HECDRO O=C(CN1CCC[N@@H+](C2CCCC2)CC1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000738335487 1075984111 /nfs/dbraw/zinc/98/41/11/1075984111.db2.gz QTYUXIIJCXYYIB-UHFFFAOYSA-N 1 0 418.557 2.229 20 10 HECDRO COc1ccc(N2CC[NH+](CCCNC(=O)NC[C@@H](O)c3ccsc3)CC2)cc1 ZINC000740466965 1076183515 /nfs/dbraw/zinc/18/35/15/1076183515.db2.gz LTDGXFZKWXOQFL-HXUWFJFHSA-N 1 0 418.563 2.302 20 10 HECDRO C[C@@H]1CN(c2ccc(CNC(=O)C[N@H+](CCCCO)C3CC3)cc2F)C[C@@H](C)O1 ZINC000741250136 1076420070 /nfs/dbraw/zinc/42/00/70/1076420070.db2.gz INFRYKLSGMEMTE-IAGOWNOFSA-N 1 0 407.530 2.292 20 10 HECDRO COC(=O)[C@H]1CCC[C@H](C(=O)NCCC[NH+]2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000742241672 1076804345 /nfs/dbraw/zinc/80/43/45/1076804345.db2.gz TVFSPSZNBAMESZ-OALUTQOASA-N 1 0 417.550 2.303 20 10 HECDRO COc1ccc(N2CCN(CCNC(=O)NC[C@@H](C)C[NH+]3CCCCC3)CC2)cc1 ZINC000743363209 1077033019 /nfs/dbraw/zinc/03/30/19/1077033019.db2.gz NLDQGVGQIRUPCH-HXUWFJFHSA-N 1 0 417.598 2.238 20 10 HECDRO COCCC[N@H+](C)CCNC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000743555267 1077068165 /nfs/dbraw/zinc/06/81/65/1077068165.db2.gz UOPPIZLHSAAABK-CALCHBBNSA-N 1 0 410.534 2.207 20 10 HECDRO CC[NH+]1CCN(CCC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1 ZINC000743734825 1077104410 /nfs/dbraw/zinc/10/44/10/1077104410.db2.gz AGXWUIJSYROHRL-KRWDZBQOSA-N 1 0 410.509 2.401 20 10 HECDRO COc1ccc(N2CCN(C(=O)CN3CC[C@@H](C[NH+]4CCCCC4)C3)CC2)cc1 ZINC000743851220 1077142273 /nfs/dbraw/zinc/14/22/73/1077142273.db2.gz AMDRCCSBEQKFDN-FQEVSTJZSA-N 1 0 400.567 2.152 20 10 HECDRO COc1ccc(N2CC[NH+](CCCNC(=O)NC[C@@](C)(O)c3ccco3)CC2)cc1 ZINC000745349464 1077811594 /nfs/dbraw/zinc/81/15/94/1077811594.db2.gz IHLHFJBNQKCZCA-JOCHJYFZSA-N 1 0 416.522 2.007 20 10 HECDRO COc1ccc(N2CC[NH+](CCCNC(=O)NCC(C)(C)C[C@H](C)O)CC2)cc1 ZINC000745352098 1077811714 /nfs/dbraw/zinc/81/17/14/1077811714.db2.gz VLSWDZGQYJFULI-SFHVURJKSA-N 1 0 406.571 2.304 20 10 HECDRO C[C@H]1CN(c2ccc(CNC(=O)CN3CC[N@H+](C)CC3(C)C)cc2F)C[C@H](C)O1 ZINC000766999843 1079599704 /nfs/dbraw/zinc/59/97/04/1079599704.db2.gz XWSSAELPYLUMMC-IRXDYDNUSA-N 1 0 406.546 2.082 20 10 HECDRO Cc1cc(S(=O)(=O)NCC[NH2+]Cc2ccc(N3CCOCC3)cc2)c(C)s1 ZINC000771980384 1079621324 /nfs/dbraw/zinc/62/13/24/1079621324.db2.gz PEFAYOUZTKZBAP-UHFFFAOYSA-N 1 0 409.577 2.270 20 10 HECDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000804352018 1079795292 /nfs/dbraw/zinc/79/52/92/1079795292.db2.gz NAFOAWJHGZYKJC-FQEVSTJZSA-N 1 0 417.550 2.281 20 10 HECDRO COc1ccc(N2CC[NH+](CCCNC(=O)C(=O)N[C@@H]3CCC[C@H](C)C3)CC2)cc1 ZINC000785526655 1080037801 /nfs/dbraw/zinc/03/78/01/1080037801.db2.gz GJAUDISZIRYMMR-RBUKOAKNSA-N 1 0 416.566 2.018 20 10 HECDRO CC(C)NC(=O)c1cnn2c1C[C@@H](C[NH2+]Cc1ccc(N3CCOCC3)cc1)CC2 ZINC000785563550 1080079312 /nfs/dbraw/zinc/07/93/12/1080079312.db2.gz NFPUYFIHGIQUBW-IBGZPJMESA-N 1 0 411.550 2.210 20 10 HECDRO COCC[C@@H]1CCCC[N@H+](CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000767940151 1080234389 /nfs/dbraw/zinc/23/43/89/1080234389.db2.gz GRVBISGZFOJBOT-SFHVURJKSA-N 1 0 407.530 2.417 20 10 HECDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CCCC4(C3)OCCO4)cc2F)CC1 ZINC000768067769 1080303212 /nfs/dbraw/zinc/30/32/12/1080303212.db2.gz HZEHRDRGOJGJLO-UHFFFAOYSA-N 1 0 406.502 2.016 20 10 HECDRO COc1ccc(N2CC[NH+](CCNc3nc4ccccc4c(NCCO)n3)CC2)cc1 ZINC000742928467 1080383946 /nfs/dbraw/zinc/38/39/46/1080383946.db2.gz SEWKELLEBCIMOT-UHFFFAOYSA-N 1 0 422.533 2.277 20 10 HECDRO O=C(Cc1cccc(F)c1)N1CCC[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000768462738 1080583860 /nfs/dbraw/zinc/58/38/60/1080583860.db2.gz CPJGBOBDXBLZQN-FQEVSTJZSA-N 1 0 400.450 2.234 20 10 HECDRO COC(=O)c1ccc(C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)nc1 ZINC000768533338 1080613772 /nfs/dbraw/zinc/61/37/72/1080613772.db2.gz MXFVEYXFJBVICW-UHFFFAOYSA-N 1 0 408.502 2.330 20 10 HECDRO C[C@@H](NC(=O)C(C)(C)C)C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768531786 1080613800 /nfs/dbraw/zinc/61/38/00/1080613800.db2.gz BPOWWWDWMQJHLE-QGZVFWFLSA-N 1 0 400.567 2.386 20 10 HECDRO O=C(CNC(=O)c1ccccc1)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768533454 1080615124 /nfs/dbraw/zinc/61/51/24/1080615124.db2.gz PVGLVVMOHUKQTP-UHFFFAOYSA-N 1 0 406.530 2.265 20 10 HECDRO C[C@@H](Sc1nncn1C)C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768545082 1080646707 /nfs/dbraw/zinc/64/67/07/1080646707.db2.gz RXPPZUSZJRWTJU-MRXNPFEDSA-N 1 0 414.579 2.144 20 10 HECDRO COc1ccc(N2CCN(CCNC(=O)N3CCCC34CC[NH+](C)CC4)CC2)cc1 ZINC000768937574 1080865673 /nfs/dbraw/zinc/86/56/73/1080865673.db2.gz URMUBURPOYPSMO-UHFFFAOYSA-N 1 0 415.582 2.087 20 10 HECDRO NC(=O)C1CCC(NC(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)CC1 ZINC000768953244 1080881379 /nfs/dbraw/zinc/88/13/79/1080881379.db2.gz MDCLPTSAGVKUOX-UHFFFAOYSA-N 1 0 413.566 2.062 20 10 HECDRO CC(C)n1cc(NC(=O)C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)cn1 ZINC000769024715 1080887870 /nfs/dbraw/zinc/88/78/70/1080887870.db2.gz PSSWQKCIQSQBBS-UHFFFAOYSA-N 1 0 424.549 2.251 20 10 HECDRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)NCc3cccc(C)c3)cc2F)CC1 ZINC000787026886 1080955146 /nfs/dbraw/zinc/95/51/46/1080955146.db2.gz JPJHSGQUIZHDKM-UHFFFAOYSA-N 1 0 412.509 2.209 20 10 HECDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CCOC4(CCOCC4)C3)cc2F)CC1 ZINC000769104268 1080962258 /nfs/dbraw/zinc/96/22/58/1080962258.db2.gz YODQIVXXQAQYFV-UHFFFAOYSA-N 1 0 420.529 2.059 20 10 HECDRO COc1ccc(N2CCC(NC(=O)NC3CC[NH+]([C@H]4CCC[C@H]4O)CC3)CC2)cc1 ZINC000769153499 1080972914 /nfs/dbraw/zinc/97/29/14/1080972914.db2.gz HWBNZYYHFRPYAC-FCHUYYIVSA-N 1 0 416.566 2.341 20 10 HECDRO O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000769156845 1080974663 /nfs/dbraw/zinc/97/46/63/1080974663.db2.gz UJVAHNPQRHWXGP-KCZVDYSFSA-N 1 0 417.550 2.461 20 10 HECDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1sccc1-n1cnnn1 ZINC000769165987 1080984239 /nfs/dbraw/zinc/98/42/39/1080984239.db2.gz ZDBGUHKVKSSKPS-UHFFFAOYSA-N 1 0 423.546 2.186 20 10 HECDRO C[C@H](NC(=O)C(=O)NCc1cccc(OCC[NH+](C)C)c1)c1ccc(N(C)C)cc1 ZINC000787178441 1081046515 /nfs/dbraw/zinc/04/65/15/1081046515.db2.gz WJCCUXRLPXKKMC-KRWDZBQOSA-N 1 0 412.534 2.187 20 10 HECDRO CN1CCN(C(=O)CC2CC[NH+](Cc3ccc(N4CCOCC4)c(F)c3)CC2)CC1 ZINC000769339065 1081048055 /nfs/dbraw/zinc/04/80/55/1081048055.db2.gz UKHRAUKPJZAUOC-UHFFFAOYSA-N 1 0 418.557 2.038 20 10 HECDRO CCOc1ccc(C[NH+]2CCN(CCNC(=O)c3ccccc3F)CC2)c(O)c1 ZINC000769342381 1081049453 /nfs/dbraw/zinc/04/94/53/1081049453.db2.gz LWRCWHGBEXKQRH-UHFFFAOYSA-N 1 0 401.482 2.478 20 10 HECDRO CC(C)[C@@H](OC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2)C(=O)NC(N)=O ZINC000769663234 1078501654 /nfs/dbraw/zinc/50/16/54/1078501654.db2.gz NBVCVRFXVYTBGX-HXUWFJFHSA-N 1 0 414.506 2.171 20 10 HECDRO CCOCCNC(=O)COC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000769662763 1078502270 /nfs/dbraw/zinc/50/22/70/1078502270.db2.gz IACAGYGHPCRBNO-UHFFFAOYSA-N 1 0 401.507 2.104 20 10 HECDRO COCCCNC(=O)COC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000769662977 1078502486 /nfs/dbraw/zinc/50/24/86/1078502486.db2.gz ITHYGCKUWPKQQA-UHFFFAOYSA-N 1 0 401.507 2.104 20 10 HECDRO CC[C@]1(C)NC(=O)N(NC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)C1=O ZINC000769855732 1078579668 /nfs/dbraw/zinc/57/96/68/1078579668.db2.gz RPXNNXYBVCUMHH-QFIPXVFZSA-N 1 0 411.506 2.160 20 10 HECDRO C[C@@H]1CN(c2ccc(CNC(=O)C[N@@H+]3CCC34CCOCC4)cc2F)C[C@@H](C)O1 ZINC000769893556 1078646531 /nfs/dbraw/zinc/64/65/31/1078646531.db2.gz PXISEAGLXDWJCO-IAGOWNOFSA-N 1 0 405.514 2.310 20 10 HECDRO C[C@@H]1CN(c2ccc(CNC(=O)C[N@@H+]3CCC34CCOCC4)cc2F)C[C@H](C)O1 ZINC000769893554 1078646612 /nfs/dbraw/zinc/64/66/12/1078646612.db2.gz PXISEAGLXDWJCO-CALCHBBNSA-N 1 0 405.514 2.310 20 10 HECDRO C[C@H](NC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(N2CCOCC2)cc1 ZINC000746168806 1078814191 /nfs/dbraw/zinc/81/41/91/1078814191.db2.gz QUBXIOGLAODHGQ-YADARESESA-N 1 0 409.530 2.337 20 10 HECDRO C[N@H+](Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C1CCN(S(C)(=O)=O)CC1 ZINC000770327079 1078829103 /nfs/dbraw/zinc/82/91/03/1078829103.db2.gz VGPVXENNOQIGEC-UHFFFAOYSA-N 1 0 410.540 2.441 20 10 HECDRO O=S(=O)(c1ccc2c(c1)OCCO2)N1CCC[N@@H+](Cc2ccccc2O)CC1 ZINC000770511083 1078871793 /nfs/dbraw/zinc/87/17/93/1078871793.db2.gz ZBHYWSKEVUPPSK-UHFFFAOYSA-N 1 0 404.488 2.060 20 10 HECDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000745826785 1078933958 /nfs/dbraw/zinc/93/39/58/1078933958.db2.gz DKGARGLYDORHDV-NRFANRHFSA-N 1 0 417.598 2.079 20 10 HECDRO Cc1cc(O)cc(=O)n1CC(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000771064077 1079122700 /nfs/dbraw/zinc/12/27/00/1079122700.db2.gz HISLBBBABYUOAC-INIZCTEOSA-N 1 0 405.882 2.002 20 10 HECDRO CCCN(CC(=O)OC(C)(C)C)C[C@@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC001169092588 1079140159 /nfs/dbraw/zinc/14/01/59/1079140159.db2.gz VIKBOGTYCVXOSK-FQEVSTJZSA-N 1 0 421.582 2.232 20 10 HECDRO COc1ccc(N2CC[NH+](CCCNC(=O)NCC3(CO)CCCC3)CC2)cc1 ZINC000771294233 1079268828 /nfs/dbraw/zinc/26/88/28/1079268828.db2.gz CPNIKOGWJICSKT-UHFFFAOYSA-N 1 0 404.555 2.059 20 10 HECDRO CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)C1 ZINC001169501269 1079314953 /nfs/dbraw/zinc/31/49/53/1079314953.db2.gz NOZJXXAKTKQKLB-LJQANCHMSA-N 1 0 402.539 2.454 20 10 HECDRO CCN(CC)c1ccc(C[NH2+]CCS(=O)(=O)NC[C@H]2CCCCO2)cc1F ZINC000740005444 1076091716 /nfs/dbraw/zinc/09/17/16/1076091716.db2.gz CJQLIQFKGHFAMQ-QGZVFWFLSA-N 1 0 401.548 2.250 20 10 HECDRO CC[NH+]1CCC(N(C)CC(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)CC1 ZINC000740874520 1076277132 /nfs/dbraw/zinc/27/71/32/1076277132.db2.gz MBLAGOHTVLATLS-HDICACEKSA-N 1 0 420.573 2.472 20 10 HECDRO CC[N@@H+]1CC[C@H](N(C)CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C[C@@H]1C ZINC000740883385 1076281986 /nfs/dbraw/zinc/28/19/86/1076281986.db2.gz OFVSQODQPPOPMP-HKUYNNGSSA-N 1 0 406.546 2.083 20 10 HECDRO COc1ccc(N2CC[NH+](CCCNC(=O)N3CCC4(C3)CCOCC4)CC2)cc1 ZINC000745352212 1077808494 /nfs/dbraw/zinc/80/84/94/1077808494.db2.gz XLPQTWVKWWMEGE-UHFFFAOYSA-N 1 0 416.566 2.419 20 10 HECDRO COc1ccc(N2CC[NH+](CCCNC(=O)NC[C@H]3CCC[C@@H](O)C3)CC2)cc1 ZINC000745348029 1077810952 /nfs/dbraw/zinc/81/09/52/1077810952.db2.gz AQMWYKINHATLHG-AZUAARDMSA-N 1 0 404.555 2.058 20 10 HECDRO CCN(CC)c1ccc(CNC(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)cc1F ZINC000766974443 1079570598 /nfs/dbraw/zinc/57/05/98/1079570598.db2.gz UTKREJUYGBRSCC-HXUWFJFHSA-N 1 0 419.545 2.120 20 10 HECDRO O=C(NCc1ccc(N2CCSCC2)cc1)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000767938336 1080231819 /nfs/dbraw/zinc/23/18/19/1080231819.db2.gz WYRCRBNMLMOHGW-NHCUHLMSSA-N 1 0 418.607 2.417 20 10 HECDRO O=C(NCc1ccc(N2CCOCC2)cc1)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000767939046 1080233336 /nfs/dbraw/zinc/23/33/36/1080233336.db2.gz QBGVYSZNSNDYSV-FGZHOGPDSA-N 1 0 416.566 2.090 20 10 HECDRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1cc(NS(C)(=O)=O)ccc1O)[NH+](C)C ZINC000785857266 1080284231 /nfs/dbraw/zinc/28/42/31/1080284231.db2.gz PCKLUTUVPKFALI-AUUYWEPGSA-N 1 0 405.520 2.493 20 10 HECDRO CCOc1ccc(O)c(C[NH+]2CCN(Cc3cc(=O)n4ccsc4n3)CC2)c1 ZINC000768214545 1080417870 /nfs/dbraw/zinc/41/78/70/1080417870.db2.gz DWTQKJDOJRHKPA-UHFFFAOYSA-N 1 0 400.504 2.178 20 10 HECDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H](CN3CCN(c4ccccn4)CC3)C1)[C@H](O)CO2 ZINC000768443504 1080564199 /nfs/dbraw/zinc/56/41/99/1080564199.db2.gz FLKOGMYPDYSXPY-PGRDOPGGSA-N 1 0 424.545 2.247 20 10 HECDRO Cc1csc(=O)n1CCC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768533000 1080613823 /nfs/dbraw/zinc/61/38/23/1080613823.db2.gz KNTQSQFFHIAZQQ-UHFFFAOYSA-N 1 0 414.575 2.457 20 10 HECDRO CS(=O)(=O)c1ccc(C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)o1 ZINC000768532446 1080614102 /nfs/dbraw/zinc/61/41/02/1080614102.db2.gz KDRHVXCFRWQEOZ-UHFFFAOYSA-N 1 0 417.531 2.145 20 10 HECDRO O=S(=O)(CC1CCOCC1)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768576159 1080641095 /nfs/dbraw/zinc/64/10/95/1080641095.db2.gz SAAHZCULWQBAIF-UHFFFAOYSA-N 1 0 407.580 2.065 20 10 HECDRO Cc1cc(CS(=O)(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)no1 ZINC000768575433 1080641700 /nfs/dbraw/zinc/64/17/00/1080641700.db2.gz JNTAJDNRSQICPX-UHFFFAOYSA-N 1 0 404.536 2.135 20 10 HECDRO CC(C)(C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)S(=O)(=O)C1CC1 ZINC000786508262 1080663696 /nfs/dbraw/zinc/66/36/96/1080663696.db2.gz YBXULSWXTNTAKU-UHFFFAOYSA-N 1 0 419.591 2.191 20 10 HECDRO Cc1cc(CCNC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)c(C)n1-c1ccccc1 ZINC000768700753 1080715100 /nfs/dbraw/zinc/71/51/00/1080715100.db2.gz GIELJDMXXXOYJV-UHFFFAOYSA-N 1 0 422.533 2.150 20 10 HECDRO O=C(NCc1nnc2n1CCCC2)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768725658 1080755414 /nfs/dbraw/zinc/75/54/14/1080755414.db2.gz SNGISQQUXQPZLY-UHFFFAOYSA-N 1 0 423.565 2.146 20 10 HECDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)N[C@@H]1CCc2n[nH]cc2C1 ZINC000768742037 1080766299 /nfs/dbraw/zinc/76/62/99/1080766299.db2.gz QWIXBNYDDKTXDV-HXUWFJFHSA-N 1 0 408.550 2.298 20 10 HECDRO CCC(=O)N1CC[C@H](NC(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)C1 ZINC000768742132 1080766383 /nfs/dbraw/zinc/76/63/83/1080766383.db2.gz SGIPVHZMFKRLRN-FQEVSTJZSA-N 1 0 413.566 2.029 20 10 HECDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CC[C@@H](C(=O)OC)[C@H]3C)cc2F)CC1 ZINC000786754424 1080795281 /nfs/dbraw/zinc/79/52/81/1080795281.db2.gz UJOURMDNNXTUGB-NVXWUHKLSA-N 1 0 406.502 2.061 20 10 HECDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1ccc(-n2ccnc2)nn1 ZINC000768912707 1080851345 /nfs/dbraw/zinc/85/13/45/1080851345.db2.gz CQDDZPLWXDLFTK-UHFFFAOYSA-N 1 0 417.517 2.124 20 10 HECDRO O=C(CNC(=O)Cc1ccccc1)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000768912611 1080851412 /nfs/dbraw/zinc/85/14/12/1080851412.db2.gz PTNLUCGIKDZHES-IBGZPJMESA-N 1 0 415.921 2.485 20 10 HECDRO NC(=O)COc1ccccc1C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768913142 1080853163 /nfs/dbraw/zinc/85/31/63/1080853163.db2.gz GKCQZTXCZBHFJE-UHFFFAOYSA-N 1 0 422.529 2.013 20 10 HECDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000768914139 1080854379 /nfs/dbraw/zinc/85/43/79/1080854379.db2.gz CPXPBTUVCLWWMI-HNNXBMFYSA-N 1 0 407.858 2.240 20 10 HECDRO Cc1cncc(NC(=O)C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)c1 ZINC000769022995 1080887513 /nfs/dbraw/zinc/88/75/13/1080887513.db2.gz HQTLENRYHIREOW-UHFFFAOYSA-N 1 0 407.518 2.177 20 10 HECDRO C[C@@H]1[C@@H](C)[S@](=O)CCN1C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000769039541 1080892377 /nfs/dbraw/zinc/89/23/77/1080892377.db2.gz XGVVIKRSAPZXKI-QRVLEJSBSA-N 1 0 418.607 2.270 20 10 HECDRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)NCc3ccc(C)s3)cc2F)CC1 ZINC000787017776 1080974258 /nfs/dbraw/zinc/97/42/58/1080974258.db2.gz SDDPHMJELDQNOV-UHFFFAOYSA-N 1 0 418.538 2.270 20 10 HECDRO CCCN(Cc1ccccc1O)C(=O)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000787144483 1081027650 /nfs/dbraw/zinc/02/76/50/1081027650.db2.gz RLENHDNKGHHDOK-UHFFFAOYSA-N 1 0 410.518 2.307 20 10 HECDRO COc1ccc(N2CCN(CC[NH2+][C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)cc1 ZINC000769382606 1081058643 /nfs/dbraw/zinc/05/86/43/1081058643.db2.gz FMMRFCBRFTVXOB-SFHVURJKSA-N 1 0 404.555 2.416 20 10 HECDRO Cc1cccc(CN(CC[NH+](C)C)C(=O)c2cc(NS(C)(=O)=O)ccc2O)c1 ZINC000769763151 1078544581 /nfs/dbraw/zinc/54/45/81/1078544581.db2.gz SSAHZGPAHNBICU-UHFFFAOYSA-N 1 0 405.520 2.276 20 10 HECDRO CCN1CC[NH+](C[C@@H](C)CNC(=O)NCc2ccc(N3CCSCC3)cc2)CC1 ZINC000745592477 1078556149 /nfs/dbraw/zinc/55/61/49/1078556149.db2.gz IAYIWAMYBLJJRX-IBGZPJMESA-N 1 0 419.639 2.313 20 10 HECDRO CCN1CC[NH+](C[C@H](C)CNC(=O)NCc2ccc(N3CCSCC3)cc2)CC1 ZINC000745592478 1078556182 /nfs/dbraw/zinc/55/61/82/1078556182.db2.gz IAYIWAMYBLJJRX-LJQANCHMSA-N 1 0 419.639 2.313 20 10 HECDRO CC[NH+](CC)[C@@H]1CCN(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C1 ZINC000745690509 1078601568 /nfs/dbraw/zinc/60/15/68/1078601568.db2.gz CHUIPSFUZRZTAH-UYAOXDASSA-N 1 0 401.555 2.014 20 10 HECDRO O=C(NCc1ccc(N2CCOCC2)cc1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000745746621 1078633603 /nfs/dbraw/zinc/63/36/03/1078633603.db2.gz APOKICGDHMJSLJ-UHFFFAOYSA-N 1 0 416.566 2.310 20 10 HECDRO CN(C)c1ccc(CN(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C2CC2)cc1 ZINC000745830760 1078666322 /nfs/dbraw/zinc/66/63/22/1078666322.db2.gz PYKPWOHMTFCNEY-SFHVURJKSA-N 1 0 401.555 2.014 20 10 HECDRO CCN1CC[NH+](C[C@@H](C)CNC(=O)N2CCCN(c3ccc(OC)cc3)CC2)CC1 ZINC000745861704 1078676911 /nfs/dbraw/zinc/67/69/11/1078676911.db2.gz DTHJEJKXNSJIIJ-FQEVSTJZSA-N 1 0 417.598 2.191 20 10 HECDRO CCN1CC[NH+](C[C@H](C)CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)CC1 ZINC000745863109 1078678216 /nfs/dbraw/zinc/67/82/16/1078678216.db2.gz RAIMKVRNNJGDRU-CTNGQTDRSA-N 1 0 418.582 2.356 20 10 HECDRO CC1(C)CCC[N@H+](CCNC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C1 ZINC000770299787 1078822119 /nfs/dbraw/zinc/82/21/19/1078822119.db2.gz MCBRKCYJQVCYRE-IBGZPJMESA-N 1 0 415.582 2.310 20 10 HECDRO NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)NCC3CC[NH+](C4CC4)CC3)cc2)C1 ZINC000770299801 1078822164 /nfs/dbraw/zinc/82/21/64/1078822164.db2.gz MPCHYDHRMSZWAV-LJQANCHMSA-N 1 0 413.566 2.062 20 10 HECDRO CC[NH+]1CCN(c2cccc(NC(=O)C(=O)NCc3ccc(N(C)C)cc3C)c2)CC1 ZINC000770749667 1079005050 /nfs/dbraw/zinc/00/50/50/1079005050.db2.gz XVZFKXCNDQJLJN-UHFFFAOYSA-N 1 0 423.561 2.458 20 10 HECDRO CNC(=O)c1ccc(C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)cn1 ZINC000771059413 1079119639 /nfs/dbraw/zinc/11/96/39/1079119639.db2.gz QVXQNXSBCFSEMO-INIZCTEOSA-N 1 0 402.882 2.195 20 10 HECDRO CC[NH+]1CCC(CCNC(=O)C(=O)NC2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC000804315194 1079218529 /nfs/dbraw/zinc/21/85/29/1079218529.db2.gz GWNHPVBVVVXMMT-UHFFFAOYSA-N 1 0 416.566 2.018 20 10 HECDRO COc1ccc(N2CCC(NC(=O)C(=O)NC[C@@H]3[N@H+](C)CCCC3(C)C)CC2)cc1 ZINC000804318464 1079265516 /nfs/dbraw/zinc/26/55/16/1079265516.db2.gz KPPGGEGHXPHBJJ-FQEVSTJZSA-N 1 0 416.566 2.017 20 10 HECDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CCO[C@H](COC(C)C)C3)cc2F)CC1 ZINC000771319406 1079285067 /nfs/dbraw/zinc/28/50/67/1079285067.db2.gz IWZPJEOCLYNFLR-IBGZPJMESA-N 1 0 422.545 2.303 20 10 HECDRO C[C@@H]1CN(c2ccc(CNC(=O)CN3CC[N@H+](C)[C@H](C)[C@H]3C)cc2F)C[C@@H](C)O1 ZINC000771457710 1079332240 /nfs/dbraw/zinc/33/22/40/1079332240.db2.gz ASUJHSUQBOUGNM-BRSBDYLESA-N 1 0 406.546 2.080 20 10 HECDRO CCC[C@H]1CN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC[N@@H+]1CCOC ZINC000766764507 1079353092 /nfs/dbraw/zinc/35/30/92/1079353092.db2.gz NVFCUBCVENFHNG-IBGZPJMESA-N 1 0 422.545 2.305 20 10 HECDRO COCCCNC(=O)[C@H](C)N1CC[NH+](Cc2c(O)ccc3ccc(OC)cc32)CC1 ZINC000738169232 1075972377 /nfs/dbraw/zinc/97/23/77/1075972377.db2.gz GFOLJJZLYKHZPJ-KRWDZBQOSA-N 1 0 415.534 2.213 20 10 HECDRO CC[N@@H+]1C[C@H](C)N(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C[C@H]1C ZINC000766250385 1076151171 /nfs/dbraw/zinc/15/11/71/1076151171.db2.gz LCMOJYGIYWONEM-ZIFCJYIRSA-N 1 0 401.555 2.012 20 10 HECDRO C[NH+]1CCN(c2ccc(CNC(=O)NCc3ccc(N4CC=CC4)cc3)cn2)CC1 ZINC000740904584 1076297483 /nfs/dbraw/zinc/29/74/83/1076297483.db2.gz ILXGITSQNINGQC-UHFFFAOYSA-N 1 0 406.534 2.209 20 10 HECDRO CCc1cc(CNC(=O)NCCC[NH+]2CCN(c3ccc(OC)cc3)CC2)on1 ZINC000741275775 1076440846 /nfs/dbraw/zinc/44/08/46/1076440846.db2.gz QVYANNKFCWPJDP-UHFFFAOYSA-N 1 0 401.511 2.257 20 10 HECDRO Cc1ccc(C)n1-c1ccsc1C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000741714795 1076590745 /nfs/dbraw/zinc/59/07/45/1076590745.db2.gz TUAVGPWBXXGAQQ-UHFFFAOYSA-N 1 0 414.535 2.282 20 10 HECDRO Cc1cc(O)c(C[NH2+]Cc2ccccc2CS(=O)(=O)N2CCOCC2)cc1C ZINC000742367245 1076830978 /nfs/dbraw/zinc/83/09/78/1076830978.db2.gz MMRMRDNBVCITHY-UHFFFAOYSA-N 1 0 404.532 2.461 20 10 HECDRO COc1cc(Br)cc(C[NH2+][C@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)c1O ZINC000742390981 1076833376 /nfs/dbraw/zinc/83/33/76/1076833376.db2.gz XYHNUULNAMPKOS-YGRLFVJLSA-N 1 0 409.284 2.180 20 10 HECDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000743594393 1077077317 /nfs/dbraw/zinc/07/73/17/1077077317.db2.gz ULIAIDZEEBEBGN-VDZJLULYSA-N 1 0 424.492 2.419 20 10 HECDRO CC[NH+]1CCN(CCC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1 ZINC000743734826 1077104524 /nfs/dbraw/zinc/10/45/24/1077104524.db2.gz AGXWUIJSYROHRL-QGZVFWFLSA-N 1 0 410.509 2.401 20 10 HECDRO COc1ccc(N2CCN(CC(=O)NC[C@@H](c3ccccc3)[NH+](C)C)CC2)cc1F ZINC000771764263 1079518196 /nfs/dbraw/zinc/51/81/96/1079518196.db2.gz XVARDVABEVGUIN-NRFANRHFSA-N 1 0 414.525 2.375 20 10 HECDRO C[C@@H](c1ccccc1)[C@@H](CO)[NH2+]CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000766979234 1079575465 /nfs/dbraw/zinc/57/54/65/1079575465.db2.gz GMQQAXOSNMFTCP-LAUBAEHRSA-N 1 0 415.509 2.033 20 10 HECDRO O=C(c1ccccc1)N1C[C@H](C[NH2+]Cc2ccc(N3CCOCC3)cc2)N2CC[C@H]1C2 ZINC000767156600 1079719567 /nfs/dbraw/zinc/71/95/67/1079719567.db2.gz SGHSQLXKSQUMSJ-ZEQRLZLVSA-N 1 0 420.557 2.212 20 10 HECDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000804352019 1079795110 /nfs/dbraw/zinc/79/51/10/1079795110.db2.gz NAFOAWJHGZYKJC-HXUWFJFHSA-N 1 0 417.550 2.281 20 10 HECDRO C[C@@H]1CN(c2ccc(CNC(=O)C[N@H+](C)CC3CCOCC3)cc2F)C[C@H](C)O1 ZINC000767704200 1080032123 /nfs/dbraw/zinc/03/21/23/1080032123.db2.gz HUBZBOSIFGKLHM-CALCHBBNSA-N 1 0 407.530 2.414 20 10 HECDRO COc1ccc(N2CCN(C(=O)CN3CC[N@H+](C)CC34CCCCC4)CC2)cc1 ZINC000746493181 1080093444 /nfs/dbraw/zinc/09/34/44/1080093444.db2.gz PJHNSXDLDJDDDE-UHFFFAOYSA-N 1 0 400.567 2.294 20 10 HECDRO O=C(NCc1ccc(N2CCOCC2)cc1)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000767939047 1080233462 /nfs/dbraw/zinc/23/34/62/1080233462.db2.gz QBGVYSZNSNDYSV-VXKWHMMOSA-N 1 0 416.566 2.090 20 10 HECDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3ncn(-c4ccccc4)n3)cc2F)CC1 ZINC000768390768 1080539191 /nfs/dbraw/zinc/53/91/91/1080539191.db2.gz IWOOVOSNHHWHLI-UHFFFAOYSA-N 1 0 408.481 2.478 20 10 HECDRO COc1cc(C[N@H+](C)CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(O)cc1C ZINC000768441610 1080562371 /nfs/dbraw/zinc/56/23/71/1080562371.db2.gz DXYDLVSFRIPEQO-UHFFFAOYSA-N 1 0 407.511 2.220 20 10 HECDRO O=C(CN1Cc2ccccc2C1=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768532314 1080613708 /nfs/dbraw/zinc/61/37/08/1080613708.db2.gz APKBPUNOGYMMFS-UHFFFAOYSA-N 1 0 418.541 2.491 20 10 HECDRO C[C@@H]1CN(c2ccc(CNC(=O)CN3C[C@H](C)[N@H+](C)C[C@@H]3C)cc2F)C[C@@H](C)O1 ZINC000768769258 1080754130 /nfs/dbraw/zinc/75/41/30/1080754130.db2.gz FWEYXHITBMUPRI-WNRNVDISSA-N 1 0 406.546 2.080 20 10 HECDRO CC(C)N1CC[C@@H](NC(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)C1=O ZINC000768731286 1080758356 /nfs/dbraw/zinc/75/83/56/1080758356.db2.gz OSGZLHBSZVZOJD-OAQYLSRUSA-N 1 0 413.566 2.027 20 10 HECDRO CCC(=O)N1CC[C@@H](NC(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)C1 ZINC000768742133 1080766197 /nfs/dbraw/zinc/76/61/97/1080766197.db2.gz SGIPVHZMFKRLRN-HXUWFJFHSA-N 1 0 413.566 2.029 20 10 HECDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)N1C[C@@H](O)CC(F)(F)C1 ZINC000786802303 1080834425 /nfs/dbraw/zinc/83/44/25/1080834425.db2.gz RUAFCYCWKVZWCQ-IBGZPJMESA-N 1 0 408.493 2.130 20 10 HECDRO CS[C@@H](CO)[C@H](C)NC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768943098 1080845571 /nfs/dbraw/zinc/84/55/71/1080845571.db2.gz DCUXQLQTXHNNHR-JXFKEZNVSA-N 1 0 406.596 2.130 20 10 HECDRO CC(C)(C)N1C[C@H](C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)CC1=O ZINC000768913168 1080853114 /nfs/dbraw/zinc/85/31/14/1080853114.db2.gz HPYAXGCGLPYGEN-HXUWFJFHSA-N 1 0 412.578 2.482 20 10 HECDRO O=C(CCn1cc([N+](=O)[O-])cn1)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000768913768 1080853802 /nfs/dbraw/zinc/85/38/02/1080853802.db2.gz AOGGRIJUPGLADA-OAHLLOKOSA-N 1 0 407.858 2.321 20 10 HECDRO CCc1n[nH]c(C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)c1[N+](=O)[O-] ZINC000768914544 1080854325 /nfs/dbraw/zinc/85/43/25/1080854325.db2.gz YOQWMHVOZYZSKV-UHFFFAOYSA-N 1 0 412.494 2.342 20 10 HECDRO C[C@@H](OC[C@H]1CCCO1)C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768915392 1080854739 /nfs/dbraw/zinc/85/47/39/1080854739.db2.gz LYTWKAHHGFBOJD-XMSQKQJNSA-N 1 0 401.551 2.419 20 10 HECDRO CCc1c(C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)[nH]c(C)c1C(N)=O ZINC000768915461 1080854814 /nfs/dbraw/zinc/85/48/14/1080854814.db2.gz NVCCXWZJMIZPIU-UHFFFAOYSA-N 1 0 423.561 2.446 20 10 HECDRO COC(=O)C[C@H]1CCCN1C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000769047311 1080894187 /nfs/dbraw/zinc/89/41/87/1080894187.db2.gz ORKKPYOSUKVZAA-OAQYLSRUSA-N 1 0 414.550 2.456 20 10 HECDRO COc1cccc(C[N@@H+]2CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)c1O ZINC000769192664 1080967807 /nfs/dbraw/zinc/96/78/07/1080967807.db2.gz PLUDOPQOEMSAGI-MRXNPFEDSA-N 1 0 407.511 2.254 20 10 HECDRO O=C(C[NH+]1CCCC1)N1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 ZINC000769315374 1081040049 /nfs/dbraw/zinc/04/00/49/1081040049.db2.gz AJVOTYMYRXFLRA-UHFFFAOYSA-N 1 0 415.538 2.325 20 10 HECDRO O[C@@H](C[NH2+]Cc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)CC(F)(F)F ZINC000787252442 1081072485 /nfs/dbraw/zinc/07/24/85/1081072485.db2.gz XCTJYDWLEVFRGE-OAHLLOKOSA-N 1 0 413.419 2.345 20 10 HECDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000745784706 1078642987 /nfs/dbraw/zinc/64/29/87/1078642987.db2.gz YVAPRFOXQOQAFA-HXUWFJFHSA-N 1 0 417.598 2.191 20 10 HECDRO CCN1CC[NH+](C[C@@H](C)CNC(=O)NC2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC000745795321 1078650500 /nfs/dbraw/zinc/65/05/00/1078650500.db2.gz FIUPZYLSTZBALH-IBGZPJMESA-N 1 0 417.598 2.237 20 10 HECDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1)cc2=O ZINC000745986947 1078720199 /nfs/dbraw/zinc/72/01/99/1078720199.db2.gz UNXWEOVMMOCSPZ-AWEZNQCLSA-N 1 0 419.482 2.053 20 10 HECDRO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000770109035 1078732522 /nfs/dbraw/zinc/73/25/22/1078732522.db2.gz DIXUAMQWXZJTQC-UHFFFAOYSA-N 1 0 405.520 2.404 20 10 HECDRO C[C@@H](NC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(N2CCOCC2)cc1 ZINC000746168804 1078814236 /nfs/dbraw/zinc/81/42/36/1078814236.db2.gz QUBXIOGLAODHGQ-DVECYGJZSA-N 1 0 409.530 2.337 20 10 HECDRO NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)N3CC[C@@H](C[NH+]4CCCC4)C3)cc2)C1 ZINC000746413185 1078906655 /nfs/dbraw/zinc/90/66/55/1078906655.db2.gz CIJGWPLZSVIEKL-VQTJNVASSA-N 1 0 413.566 2.016 20 10 HECDRO O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000746414358 1078908068 /nfs/dbraw/zinc/90/80/68/1078908068.db2.gz CONJHLSNVPLBRJ-SFHVURJKSA-N 1 0 404.530 2.414 20 10 HECDRO COCC[C@]1(NC(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)CCOC1 ZINC000770766247 1078985334 /nfs/dbraw/zinc/98/53/34/1078985334.db2.gz KDFSXJPEFBWLID-QHCPKHFHSA-N 1 0 416.566 2.213 20 10 HECDRO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](CC(=O)NCc3ccc(N(C)C)cc3)C2)nc1 ZINC000746457030 1078996645 /nfs/dbraw/zinc/99/66/45/1078996645.db2.gz ICIQBVOFIQPQOY-LJQANCHMSA-N 1 0 409.534 2.423 20 10 HECDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3ccc(-c4nc[nH]n4)cc3)CC2)cc1 ZINC000771105443 1079154582 /nfs/dbraw/zinc/15/45/82/1079154582.db2.gz UWEHOUYRTUDTPJ-UHFFFAOYSA-N 1 0 420.517 2.422 20 10 HECDRO CS(=O)(=O)N1CCC([NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1 ZINC000766236427 1076018383 /nfs/dbraw/zinc/01/83/83/1076018383.db2.gz DGQBEJUSCFEXGA-OAHLLOKOSA-N 1 0 403.495 2.270 20 10 HECDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3ccnc(-n4cccn4)c3)CC2)cc1 ZINC000739495173 1076063186 /nfs/dbraw/zinc/06/31/86/1076063186.db2.gz UBUYZOHMNSIOBH-UHFFFAOYSA-N 1 0 420.517 2.218 20 10 HECDRO CC[N@@H+]1C[C@H](C)N(CC(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)C[C@H]1C ZINC000766252513 1076162684 /nfs/dbraw/zinc/16/26/84/1076162684.db2.gz GWWJJWYFSVPKTD-HCXYKTFWSA-N 1 0 420.573 2.470 20 10 HECDRO C[C@@](CO)([NH2+]CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C1CCCCC1 ZINC000741054242 1076346228 /nfs/dbraw/zinc/34/62/28/1076346228.db2.gz LNJGEZVDBFZKSD-QFIPXVFZSA-N 1 0 407.530 2.199 20 10 HECDRO CC[NH+]1CCN(c2ccc(CNC(=O)NC[C@@H](O)c3ccc(C)o3)cc2F)CC1 ZINC000741413610 1076514825 /nfs/dbraw/zinc/51/48/25/1076514825.db2.gz OUXAQJCEFRGJON-LJQANCHMSA-N 1 0 404.486 2.402 20 10 HECDRO CC(=O)N1CCC([NH2+][C@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)CC1 ZINC000742204684 1076791585 /nfs/dbraw/zinc/79/15/85/1076791585.db2.gz PKEQTOSFUKLIFN-CQSZACIVSA-N 1 0 419.481 2.390 20 10 HECDRO COc1cc(Br)cc(C[NH2+][C@@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)c1O ZINC000742390980 1076833359 /nfs/dbraw/zinc/83/33/59/1076833359.db2.gz XYHNUULNAMPKOS-QMTHXVAHSA-N 1 0 409.284 2.180 20 10 HECDRO COc1ccc(N2CCN(CCNC(=O)NC3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CC2)cc1 ZINC000743567811 1077074108 /nfs/dbraw/zinc/07/41/08/1077074108.db2.gz TUJGYFGNZHMMJP-VCSGRIEYSA-N 1 0 415.582 2.132 20 10 HECDRO COCC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1 ZINC000743626815 1077082917 /nfs/dbraw/zinc/08/29/17/1077082917.db2.gz NREPGVWNEDEOPR-CVEARBPZSA-N 1 0 412.481 2.277 20 10 HECDRO CC[N@H+](Cc1cc(Br)ccc1O)[C@@H](C)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000743874197 1077157878 /nfs/dbraw/zinc/15/78/78/1077157878.db2.gz VXLKBWXZWXGUSS-QWHCGFSZSA-N 1 0 412.328 2.089 20 10 HECDRO CC(C)Cn1c(N)c(C(=O)C[N@H+](Cc2ccc(N(C)C)cc2)C(C)C)c(=O)[nH]c1=O ZINC000771790312 1079508526 /nfs/dbraw/zinc/50/85/26/1079508526.db2.gz BATHTSQKZDGRFQ-UHFFFAOYSA-N 1 0 415.538 2.346 20 10 HECDRO COc1ccc(N2CC[NH+](CCCNC(=O)C(=O)N(C)[C@H](C)C(C)(C)C)CC2)cc1 ZINC000785527056 1080038068 /nfs/dbraw/zinc/03/80/68/1080038068.db2.gz JIKPTYCYKFMVFW-GOSISDBHSA-N 1 0 418.582 2.217 20 10 HECDRO C[C@H](NC(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1ccc(N2CCOCC2)cc1 ZINC000767937856 1080232810 /nfs/dbraw/zinc/23/28/10/1080232810.db2.gz ITAUBUZZSPPNKS-BULFRSBZSA-N 1 0 416.566 2.261 20 10 HECDRO COCC[C@@H]1CCCC[N@H+](C[C@H](O)CN2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000767943622 1080235893 /nfs/dbraw/zinc/23/58/93/1080235893.db2.gz ZZCLTZAHFYYLJR-RBBKRZOGSA-N 1 0 405.583 2.317 20 10 HECDRO COCC[C@H]1CCCC[N@H+](C[C@@H](O)CN2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000767943620 1080235946 /nfs/dbraw/zinc/23/59/46/1080235946.db2.gz ZZCLTZAHFYYLJR-IRLDBZIGSA-N 1 0 405.583 2.317 20 10 HECDRO CC[C@@]1(C)CN(C(=O)NCCC[NH+]2CCN(c3ccc(OC)cc3)CC2)CCO1 ZINC000785861650 1080285409 /nfs/dbraw/zinc/28/54/09/1080285409.db2.gz DZYMLUHFHQHEBL-QFIPXVFZSA-N 1 0 404.555 2.418 20 10 HECDRO CCS(=O)(=O)CCN(C)C(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000768121250 1080336234 /nfs/dbraw/zinc/33/62/34/1080336234.db2.gz ORLXLQUCXXCHIZ-UHFFFAOYSA-N 1 0 405.564 2.301 20 10 HECDRO CC(C)CC(=O)NCCC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768544674 1080646692 /nfs/dbraw/zinc/64/66/92/1080646692.db2.gz QSFASSUKFQZVIX-UHFFFAOYSA-N 1 0 400.567 2.387 20 10 HECDRO C[C@@H](NC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1nnc2n1CCC2 ZINC000768722713 1080741024 /nfs/dbraw/zinc/74/10/24/1080741024.db2.gz ZFVVLPVBCZOCSM-QGZVFWFLSA-N 1 0 423.565 2.317 20 10 HECDRO CCNC(=O)C(C)(C)CNC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768741991 1080766181 /nfs/dbraw/zinc/76/61/81/1080766181.db2.gz PUPAQCKRRYRNMP-UHFFFAOYSA-N 1 0 415.582 2.180 20 10 HECDRO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1cccc(-n2cnnn2)c1 ZINC000768912603 1080851360 /nfs/dbraw/zinc/85/13/60/1080851360.db2.gz PGZBDCGQNROOKF-QGZVFWFLSA-N 1 0 412.881 2.416 20 10 HECDRO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1ccccc1-n1cnnn1 ZINC000768913298 1080852563 /nfs/dbraw/zinc/85/25/63/1080852563.db2.gz YQWGNUFPZDEROO-INIZCTEOSA-N 1 0 412.881 2.416 20 10 HECDRO COC(=O)N(C)CCCC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768915443 1080854810 /nfs/dbraw/zinc/85/48/10/1080854810.db2.gz MZEJZPMANJRVPP-UHFFFAOYSA-N 1 0 402.539 2.313 20 10 HECDRO COC(=O)C1CCN(C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)CC1 ZINC000769033633 1080890842 /nfs/dbraw/zinc/89/08/42/1080890842.db2.gz JEPAABHGYRCVJY-UHFFFAOYSA-N 1 0 414.550 2.313 20 10 HECDRO CSC[C@@](C)(O)CNC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000769038149 1080891852 /nfs/dbraw/zinc/89/18/52/1080891852.db2.gz SEVBSWGYINYHNH-NRFANRHFSA-N 1 0 406.596 2.132 20 10 HECDRO Cn1cnnc1[C@H]1CCCN1C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000769043385 1080892950 /nfs/dbraw/zinc/89/29/50/1080892950.db2.gz AWIFDCRRLFHFJT-OAQYLSRUSA-N 1 0 423.565 2.394 20 10 HECDRO CC(C)C(=O)N1CCC[C@H]1C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000769122534 1080944265 /nfs/dbraw/zinc/94/42/65/1080944265.db2.gz PNABLPSJKSMGAP-QFIPXVFZSA-N 1 0 412.578 2.482 20 10 HECDRO COc1ccc(N2CCN(C(=O)NC3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)CC2)cc1F ZINC000769157515 1080975929 /nfs/dbraw/zinc/97/59/29/1080975929.db2.gz WHXJCECJFDWBOW-WOJBJXKFSA-N 1 0 420.529 2.044 20 10 HECDRO Cc1nn(C)c(C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)c1[N+](=O)[O-] ZINC000769165999 1080984304 /nfs/dbraw/zinc/98/43/04/1080984304.db2.gz ZYRRRBKWBXCTEN-UHFFFAOYSA-N 1 0 412.494 2.099 20 10 HECDRO C[NH+](C)CCOc1cccc(CNC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)c1 ZINC000787173706 1081044514 /nfs/dbraw/zinc/04/45/14/1081044514.db2.gz COORVIKJJNIOPL-UHFFFAOYSA-N 1 0 424.545 2.160 20 10 HECDRO CCNC(=O)NC(=O)[C@H](C)OC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000769664496 1078505145 /nfs/dbraw/zinc/50/51/45/1078505145.db2.gz FIAHCZKZOUFWMJ-HNNXBMFYSA-N 1 0 414.506 2.185 20 10 HECDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000745830869 1078666462 /nfs/dbraw/zinc/66/64/62/1078666462.db2.gz CIWWVIYLAACVET-LJQANCHMSA-N 1 0 403.571 2.260 20 10 HECDRO CC[NH+]1CCN(c2cccc(NC(=O)c3ccc(C)c(S(N)(=O)=O)c3)c2)CC1 ZINC000770285351 1078808334 /nfs/dbraw/zinc/80/83/34/1078808334.db2.gz BJGALKPMYNIORT-UHFFFAOYSA-N 1 0 402.520 2.037 20 10 HECDRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)[C@H](C)C1 ZINC000746317111 1078855971 /nfs/dbraw/zinc/85/59/71/1078855971.db2.gz OFJWZSCLTWCMRO-QFUCXCTJSA-N 1 0 415.582 2.260 20 10 HECDRO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1ccc(-n2cncn2)nc1 ZINC000771055788 1079116537 /nfs/dbraw/zinc/11/65/37/1079116537.db2.gz FDZUMBOIEXYVRH-QGZVFWFLSA-N 1 0 412.881 2.416 20 10 HECDRO CNC(=O)c1ccc(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)cn1 ZINC000771059414 1079119624 /nfs/dbraw/zinc/11/96/24/1079119624.db2.gz QVXQNXSBCFSEMO-MRXNPFEDSA-N 1 0 402.882 2.195 20 10 HECDRO C[C@@H](NC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1)c1ccc(N2CCOCC2)cc1 ZINC000771308863 1079277671 /nfs/dbraw/zinc/27/76/71/1079277671.db2.gz BBCHZICQSJUAKW-LJQANCHMSA-N 1 0 417.598 2.300 20 10 HECDRO CC(C)(C)OC(=O)N1C[C@@H]([NH2+]Cc2ccc(O)c(O)c2)C[C@H]1C(=O)N1CCSC1 ZINC001170027258 1079349581 /nfs/dbraw/zinc/34/95/81/1079349581.db2.gz PKLBQLZAEBYDJV-GJZGRUSLSA-N 1 0 423.535 2.098 20 10 HECDRO Cc1ccc(NC(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)c(OCC[NH+](C)C)c1 ZINC000739080209 1076039434 /nfs/dbraw/zinc/03/94/34/1076039434.db2.gz LMYLUORXBLNGOH-UHFFFAOYSA-N 1 0 416.497 2.395 20 10 HECDRO C[C@@H]1CN(c2ccc(CNC(=O)CN(C)[C@@H]3CC[N@H+](C)[C@H](C)C3)cc2F)C[C@H](C)O1 ZINC000741790084 1076628761 /nfs/dbraw/zinc/62/87/61/1076628761.db2.gz AZYHTTFVLTVODG-FTEYMNFISA-N 1 0 420.573 2.470 20 10 HECDRO COC(=O)[C@@H]1CCC[C@H](C(=O)NCCC[NH+]2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000742241682 1076804350 /nfs/dbraw/zinc/80/43/50/1076804350.db2.gz TVFSPSZNBAMESZ-RBUKOAKNSA-N 1 0 417.550 2.303 20 10 HECDRO COc1ccc(N2CCN(CCNC(=O)NC3CC[NH+](C(C)(C)C)CC3)CC2)cc1 ZINC000743362447 1077032580 /nfs/dbraw/zinc/03/25/80/1077032580.db2.gz CLPUBURCWHKWOV-UHFFFAOYSA-N 1 0 417.598 2.379 20 10 HECDRO C[NH+]1CCN(c2cc(CNC(=O)NCc3c(O)ccc4c3CCCC4)ccn2)CC1 ZINC000743536715 1077070027 /nfs/dbraw/zinc/07/00/27/1077070027.db2.gz KECGRHRCOKLVIG-UHFFFAOYSA-N 1 0 409.534 2.417 20 10 HECDRO CC[N@H+](C)C[C@@H]1CCN(CC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)C1 ZINC000744424077 1077386781 /nfs/dbraw/zinc/38/67/81/1077386781.db2.gz SHNKCZNCPVHHAU-GGPKGHCWSA-N 1 0 420.573 2.329 20 10 HECDRO COc1ccc(N2CC[NH+](CCCNC(=O)NC[C@@H]3CCC[C@@H](O)C3)CC2)cc1 ZINC000745348036 1077810910 /nfs/dbraw/zinc/81/09/10/1077810910.db2.gz AQMWYKINHATLHG-UYAOXDASSA-N 1 0 404.555 2.058 20 10 HECDRO C[C@H]1CC[N@H+](CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C[C@H]1n1ccnc1 ZINC000767432030 1079860478 /nfs/dbraw/zinc/86/04/78/1079860478.db2.gz DSDUQNUQYQJJIS-LAUBAEHRSA-N 1 0 415.513 2.058 20 10 HECDRO COc1ccc(N2CC[NH+](CCCNC(=O)[C@]3(O)CCc4ccccc4C3)CC2)cc1 ZINC000785723815 1080200723 /nfs/dbraw/zinc/20/07/23/1080200723.db2.gz KPUFNTVRELBUPK-VWLOTQADSA-N 1 0 423.557 2.244 20 10 HECDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)c1O ZINC000768234043 1080434412 /nfs/dbraw/zinc/43/44/12/1080434412.db2.gz GKEYKNMHQFZFOZ-CYBMUJFWSA-N 1 0 413.312 2.234 20 10 HECDRO NC(=O)NCc1ccc(C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)cc1 ZINC000768533472 1080614280 /nfs/dbraw/zinc/61/42/80/1080614280.db2.gz QSMUOWHKKLZFEL-UHFFFAOYSA-N 1 0 421.545 2.317 20 10 HECDRO CCCC[C@@H](NC(N)=O)C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768534351 1080615110 /nfs/dbraw/zinc/61/51/10/1080615110.db2.gz YBQZTTFJQKVFBY-HXUWFJFHSA-N 1 0 401.555 2.062 20 10 HECDRO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)O[C@H](C)CN(C)S(C)(=O)=O)C1 ZINC000786607188 1080705384 /nfs/dbraw/zinc/70/53/84/1080705384.db2.gz QXKGTIDEQCEJCR-MRXNPFEDSA-N 1 0 421.563 2.231 20 10 HECDRO CC[C@@H](C)NC(=O)[C@H](C)NC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768713625 1080730584 /nfs/dbraw/zinc/73/05/84/1080730584.db2.gz MOPAGKCYCSHRPG-MSOLQXFVSA-N 1 0 415.582 2.321 20 10 HECDRO CC(C)N1CC[C@H](NC(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)C1=O ZINC000768731282 1080758400 /nfs/dbraw/zinc/75/84/00/1080758400.db2.gz OSGZLHBSZVZOJD-NRFANRHFSA-N 1 0 413.566 2.027 20 10 HECDRO CCC(=O)N1CCC[C@H](C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)C1 ZINC000768911434 1080850968 /nfs/dbraw/zinc/85/09/68/1080850968.db2.gz OVUHSGCLNHGJBX-NRFANRHFSA-N 1 0 412.578 2.483 20 10 HECDRO CCC(=O)N1CSC[C@H]1C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768912511 1080851888 /nfs/dbraw/zinc/85/18/88/1080851888.db2.gz ABSQWMFWOCDXDA-FQEVSTJZSA-N 1 0 416.591 2.146 20 10 HECDRO CCC(=O)N1CSC[C@@H]1C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768912520 1080851924 /nfs/dbraw/zinc/85/19/24/1080851924.db2.gz ABSQWMFWOCDXDA-HXUWFJFHSA-N 1 0 416.591 2.146 20 10 HECDRO NC(=O)CC1CCN(C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)CC1 ZINC000768927574 1080862318 /nfs/dbraw/zinc/86/23/18/1080862318.db2.gz YRGWJNSBGQOIOJ-UHFFFAOYSA-N 1 0 413.566 2.016 20 10 HECDRO CSC[C@](C)(O)CNC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000769038150 1080892042 /nfs/dbraw/zinc/89/20/42/1080892042.db2.gz SEVBSWGYINYHNH-OAQYLSRUSA-N 1 0 406.596 2.132 20 10 HECDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000769153430 1080972961 /nfs/dbraw/zinc/97/29/61/1080972961.db2.gz IFRBNRBFBVXDAZ-FCHUYYIVSA-N 1 0 416.566 2.042 20 10 HECDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000769153434 1080973045 /nfs/dbraw/zinc/97/30/45/1080973045.db2.gz IFRBNRBFBVXDAZ-YADHBBJMSA-N 1 0 416.566 2.042 20 10 HECDRO O=C(CSc1cccc[n+]1[O-])NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000769165183 1080982745 /nfs/dbraw/zinc/98/27/45/1080982745.db2.gz QMLFHZNLXDDXSP-UHFFFAOYSA-N 1 0 412.559 2.261 20 10 HECDRO C[C@@H](NC(=O)C(=O)NCc1cccc(OCC[NH+](C)C)c1)c1ccc(N(C)C)cc1 ZINC000787178442 1081046433 /nfs/dbraw/zinc/04/64/33/1081046433.db2.gz WJCCUXRLPXKKMC-QGZVFWFLSA-N 1 0 412.534 2.187 20 10 HECDRO CCOc1cccc(C[NH+]2CCN(CCNC(=O)c3ccccc3F)CC2)c1O ZINC000769342322 1081049713 /nfs/dbraw/zinc/04/97/13/1081049713.db2.gz KVSMQRLBKDJNMA-UHFFFAOYSA-N 1 0 401.482 2.478 20 10 HECDRO COc1ccc(N2CC[NH+](CCCNC(=O)N[C@H](CCO)c3ccco3)CC2)cc1 ZINC000769497355 1081097707 /nfs/dbraw/zinc/09/77/07/1081097707.db2.gz WTFMYTMZJKXBKR-HXUWFJFHSA-N 1 0 416.522 2.223 20 10 HECDRO CC[NH+]1CCN(c2ccc(CNC(=O)NC[C@H](C)C(=O)OC(C)C)cc2F)CC1 ZINC000745808418 1078655615 /nfs/dbraw/zinc/65/56/15/1078655615.db2.gz LIBUMTXNFAIAMQ-INIZCTEOSA-N 1 0 408.518 2.355 20 10 HECDRO C[NH+]1CCC(O)(CNC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1 ZINC000745904422 1078691115 /nfs/dbraw/zinc/69/11/15/1078691115.db2.gz PZADHLFTHUSGPO-OAHLLOKOSA-N 1 0 412.481 2.013 20 10 HECDRO COc1ccc(N2CC[NH+](CCCNC(=O)NCc3ccc(OC)cn3)CC2)cc1 ZINC000770102100 1078725576 /nfs/dbraw/zinc/72/55/76/1078725576.db2.gz HYMAPFHATXWXDQ-UHFFFAOYSA-N 1 0 413.522 2.110 20 10 HECDRO CC[NH+]1CCN(c2ccc(CNC(=O)Nc3cnn(-c4ncccn4)c3)cc2F)CC1 ZINC000746033091 1078745063 /nfs/dbraw/zinc/74/50/63/1078745063.db2.gz IICPWQRCAXUFOZ-UHFFFAOYSA-N 1 0 424.484 2.265 20 10 HECDRO C[C@@H](NC(=O)CC[NH+]1CCN(c2ccccn2)CC1)c1ccc(N2CCOCC2)cc1 ZINC000746167164 1078813940 /nfs/dbraw/zinc/81/39/40/1078813940.db2.gz AVULUXGGQJCBSY-HXUWFJFHSA-N 1 0 423.561 2.308 20 10 HECDRO CC[NH+]1CCN(c2cccc(NC(=O)c3ccc(F)c(S(=O)(=O)NC)c3)c2)CC1 ZINC000770287183 1078809005 /nfs/dbraw/zinc/80/90/05/1078809005.db2.gz VLAOPHQINCDOFF-UHFFFAOYSA-N 1 0 420.510 2.128 20 10 HECDRO CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N(C)Cc3ccc(N(C)C)cc3)c2)CC1 ZINC000770721758 1078949239 /nfs/dbraw/zinc/94/92/39/1078949239.db2.gz SITOTLZJXTUFJO-UHFFFAOYSA-N 1 0 423.561 2.492 20 10 HECDRO O=C(NCCCSc1nccs1)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000804278258 1079003261 /nfs/dbraw/zinc/00/32/61/1079003261.db2.gz RXVRVQJZPYQJJU-QGZVFWFLSA-N 1 0 418.588 2.380 20 10 HECDRO COc1ccc(N2CCC(NC(=O)C(=O)NC[C@H](C)[N@@H+]3CCC[C@@H](C)C3)CC2)cc1 ZINC000804318271 1079235932 /nfs/dbraw/zinc/23/59/32/1079235932.db2.gz GCFHGMYNSBBOGI-MSOLQXFVSA-N 1 0 416.566 2.017 20 10 HECDRO COc1ccc(N2CCC(NC(=O)C(=O)N(C)CC[C@@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000804320233 1079266275 /nfs/dbraw/zinc/26/62/75/1079266275.db2.gz YOAKZTXHHDBAQF-IBGZPJMESA-N 1 0 416.566 2.113 20 10 HECDRO CC[NH+]1CCN(c2ccc(CNC(=O)N[C@@H]3CCO[C@@]4(CCOC4)C3)cc2F)CC1 ZINC000771435749 1079342523 /nfs/dbraw/zinc/34/25/23/1079342523.db2.gz XYWWWMIUGOUWPA-GCJKJVERSA-N 1 0 420.529 2.105 20 10 HECDRO CC(C)(C)OC(=O)N1C[C@H]([NH2+]Cc2ccc(O)c(O)c2)C[C@H]1C(=O)N1CCSC1 ZINC001170027257 1079349611 /nfs/dbraw/zinc/34/96/11/1079349611.db2.gz PKLBQLZAEBYDJV-CABCVRRESA-N 1 0 423.535 2.098 20 10 HECDRO C[NH+]1CCN(c2ccc([C@@H]3Nc4ccc(N5CCOCC5)cc4C(=O)N3)cc2)CC1 ZINC000771522006 1079369903 /nfs/dbraw/zinc/36/99/03/1079369903.db2.gz YHWRJMKRSIZEEG-JOCHJYFZSA-N 1 0 407.518 2.129 20 10 HECDRO C[C@@H](NC(=O)N1CCC([N@H+](C)CCCO)CC1)c1ccc(N2CCOCC2)cc1 ZINC000741080364 1076356559 /nfs/dbraw/zinc/35/65/59/1076356559.db2.gz ICLDXNYTXYVEJA-GOSISDBHSA-N 1 0 404.555 2.072 20 10 HECDRO O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000741411370 1076514160 /nfs/dbraw/zinc/51/41/60/1076514160.db2.gz LPLWYTINYBPJTE-DEOSSOPVSA-N 1 0 406.530 2.499 20 10 HECDRO C[C@H](C(=O)NC(=O)NCc1ccccc1)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000741737020 1076615524 /nfs/dbraw/zinc/61/55/24/1076615524.db2.gz XVXGTOAPQNFWCF-GOSISDBHSA-N 1 0 410.518 2.370 20 10 HECDRO COc1cc(Br)cc(C[NH2+][C@@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)c1O ZINC000742390979 1076833333 /nfs/dbraw/zinc/83/33/33/1076833333.db2.gz XYHNUULNAMPKOS-IINYFYTJSA-N 1 0 409.284 2.180 20 10 HECDRO CC[N@H+](CC(=O)N1CCC(C(=O)OC)CC1)Cc1cc(Br)ccc1O ZINC000743870966 1077157089 /nfs/dbraw/zinc/15/70/89/1077157089.db2.gz JOZRLOIDXIDCRK-UHFFFAOYSA-N 1 0 413.312 2.388 20 10 HECDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)c3ccc(S(N)(=O)=O)cc3)c2)CC1 ZINC000767384062 1079839792 /nfs/dbraw/zinc/83/97/92/1079839792.db2.gz YHUMXUIGUNIRCZ-UHFFFAOYSA-N 1 0 402.520 2.117 20 10 HECDRO C[C@H]1CC[N@H+](CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C[C@@H]1n1ccnc1 ZINC000767432038 1079860328 /nfs/dbraw/zinc/86/03/28/1079860328.db2.gz DSDUQNUQYQJJIS-UWJYYQICSA-N 1 0 415.513 2.058 20 10 HECDRO COc1cccc(C[C@H](O)C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)c1 ZINC000785619446 1080123734 /nfs/dbraw/zinc/12/37/34/1080123734.db2.gz BTRKSXIIAUUTKO-DEOSSOPVSA-N 1 0 423.557 2.447 20 10 HECDRO Cc1ccc(O)c(C[NH+]2CCC(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)c1 ZINC000768207949 1080396834 /nfs/dbraw/zinc/39/68/34/1080396834.db2.gz LPRIBBNVHHWAFV-UHFFFAOYSA-N 1 0 403.504 2.199 20 10 HECDRO CCOc1cccc(C[NH+]2CCN(Cc3cc(=O)n4ccsc4n3)CC2)c1O ZINC000768215623 1080418926 /nfs/dbraw/zinc/41/89/26/1080418926.db2.gz VMUYYMMMOBXYAJ-UHFFFAOYSA-N 1 0 400.504 2.178 20 10 HECDRO O=C(Nc1ccc2c(c1)OCO2)C1CC[NH+](Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000768440779 1080561108 /nfs/dbraw/zinc/56/11/08/1080561108.db2.gz DPRSBLPKTOBYNP-GOSISDBHSA-N 1 0 412.442 2.397 20 10 HECDRO Cn1nnc2cc(C(=O)NCc3ccc(N4CC[NH+](CC5CC5)CC4)cc3)ccc21 ZINC000768532436 1080614138 /nfs/dbraw/zinc/61/41/38/1080614138.db2.gz FWJZJZSOOLXIMP-UHFFFAOYSA-N 1 0 404.518 2.430 20 10 HECDRO O=C(CNC(=O)c1cccs1)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768533951 1080614197 /nfs/dbraw/zinc/61/41/97/1080614197.db2.gz WNJVLENUQMHEFZ-UHFFFAOYSA-N 1 0 412.559 2.326 20 10 HECDRO CCCC[C@H](NC(N)=O)C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768534346 1080614228 /nfs/dbraw/zinc/61/42/28/1080614228.db2.gz YBQZTTFJQKVFBY-FQEVSTJZSA-N 1 0 401.555 2.062 20 10 HECDRO O=C(CCNC(=O)c1ccco1)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768533373 1080614260 /nfs/dbraw/zinc/61/42/60/1080614260.db2.gz NITMMFJHFZVTOS-UHFFFAOYSA-N 1 0 410.518 2.248 20 10 HECDRO C[C@H](C1CC1)N(C)S(=O)(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768574828 1080640391 /nfs/dbraw/zinc/64/03/91/1080640391.db2.gz AYIZTIILDHOHHZ-QGZVFWFLSA-N 1 0 406.596 2.283 20 10 HECDRO CC(C)(C)C(=O)NCCNC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768725503 1080723099 /nfs/dbraw/zinc/72/30/99/1080723099.db2.gz PIKMUOZRTOVRDN-UHFFFAOYSA-N 1 0 415.582 2.180 20 10 HECDRO C[C@H](NC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1nnc2n1CCC2 ZINC000768722712 1080740861 /nfs/dbraw/zinc/74/08/61/1080740861.db2.gz ZFVVLPVBCZOCSM-KRWDZBQOSA-N 1 0 423.565 2.317 20 10 HECDRO CC(C)N1C[C@H](NC(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)CC1=O ZINC000768733473 1080759216 /nfs/dbraw/zinc/75/92/16/1080759216.db2.gz KCEMEDUCIJESID-HXUWFJFHSA-N 1 0 413.566 2.027 20 10 HECDRO O=C(NCCN1CCSCC1)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768735929 1080761288 /nfs/dbraw/zinc/76/12/88/1080761288.db2.gz YUUPPTKQGSJFBO-UHFFFAOYSA-N 1 0 417.623 2.067 20 10 HECDRO CCCN(CCC[NH+](C)C)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000786712143 1080766287 /nfs/dbraw/zinc/76/62/87/1080766287.db2.gz LLIJSSNOOKBRET-IBGZPJMESA-N 1 0 403.571 2.262 20 10 HECDRO CSC[C@@H](CCO)NC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768945484 1080846561 /nfs/dbraw/zinc/84/65/61/1080846561.db2.gz UKWBQYGAJHXNNN-LJQANCHMSA-N 1 0 406.596 2.132 20 10 HECDRO O=C(CCCn1ccccc1=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768911635 1080850876 /nfs/dbraw/zinc/85/08/76/1080850876.db2.gz QZVUQPALOOWTPA-UHFFFAOYSA-N 1 0 408.546 2.477 20 10 HECDRO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1cnc2n(c1=O)CCS2 ZINC000768913425 1080852585 /nfs/dbraw/zinc/85/25/85/1080852585.db2.gz ZUFHFZGMTFSOTQ-CQSZACIVSA-N 1 0 420.922 2.102 20 10 HECDRO CC(=O)OC1CCN(C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)CC1 ZINC000769049295 1080898790 /nfs/dbraw/zinc/89/87/90/1080898790.db2.gz XUGHXPGHIADJAZ-UHFFFAOYSA-N 1 0 414.550 2.456 20 10 HECDRO Cc1cccc(CNC(=O)C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)c1 ZINC000787029774 1080956245 /nfs/dbraw/zinc/95/62/45/1080956245.db2.gz YEPFZWBXUQFZLZ-UHFFFAOYSA-N 1 0 420.557 2.460 20 10 HECDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 ZINC000769395359 1081076391 /nfs/dbraw/zinc/07/63/91/1081076391.db2.gz GOSVTNPTJZCOLP-KRWDZBQOSA-N 1 0 409.552 2.020 20 10 HECDRO COc1ccc(N2CCN(C[C@H](O)C[N@@H+]3CC[C@H](CC(F)(F)F)C3)CC2)cc1 ZINC000769867522 1078587409 /nfs/dbraw/zinc/58/74/09/1078587409.db2.gz XZMMFGCFZFSHGH-AEFFLSMTSA-N 1 0 401.473 2.452 20 10 HECDRO CC[NH+]1CCN(c2cccc(NS(=O)(=O)c3ccc(C)c(C(N)=O)c3)c2)CC1 ZINC000769848786 1078608611 /nfs/dbraw/zinc/60/86/11/1078608611.db2.gz PHVFTGVDPVPCII-UHFFFAOYSA-N 1 0 402.520 2.037 20 10 HECDRO CN(C)c1ccc(CN(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C2CC2)cc1 ZINC000745830758 1078666355 /nfs/dbraw/zinc/66/63/55/1078666355.db2.gz PYKPWOHMTFCNEY-GOSISDBHSA-N 1 0 401.555 2.014 20 10 HECDRO COc1ccc(N2CC[NH+](CCCNC(=O)Nc3cnn(CC(F)F)c3)CC2)cc1 ZINC000746032197 1078744524 /nfs/dbraw/zinc/74/45/24/1078744524.db2.gz NOPKCUSWWFNYDI-UHFFFAOYSA-N 1 0 422.480 2.491 20 10 HECDRO CC1(C)CCC[N@H+](CCNC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C1 ZINC000770299788 1078822224 /nfs/dbraw/zinc/82/22/24/1078822224.db2.gz MCBRKCYJQVCYRE-LJQANCHMSA-N 1 0 415.582 2.310 20 10 HECDRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)[C@@H](C)C1 ZINC000746317104 1078855898 /nfs/dbraw/zinc/85/58/98/1078855898.db2.gz OFJWZSCLTWCMRO-DSKINZAPSA-N 1 0 415.582 2.260 20 10 HECDRO COc1ccc(N2CCN(C[C@H](O)C[N@@H+]3CC[C@]4(C3)OCc3ccccc34)CC2)cc1 ZINC000770687810 1078957144 /nfs/dbraw/zinc/95/71/44/1078957144.db2.gz DYAWPULIRWLTFV-WIOPSUGQSA-N 1 0 423.557 2.310 20 10 HECDRO CC(C)(C)OC(=O)N1C[C@H]([NH2+]Cc2ccccc2O)C[C@H]1C(=O)N1CCSC1 ZINC001170018194 1079030259 /nfs/dbraw/zinc/03/02/59/1079030259.db2.gz GNPPDCWURNTGGF-CVEARBPZSA-N 1 0 407.536 2.393 20 10 HECDRO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000771054995 1079116041 /nfs/dbraw/zinc/11/60/41/1079116041.db2.gz AWLIEKTVJBGITP-CYBMUJFWSA-N 1 0 406.826 2.449 20 10 HECDRO O=C(CNC(=O)c1ccc(O)cc1)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000771059442 1079119605 /nfs/dbraw/zinc/11/96/05/1079119605.db2.gz RIFVYLMJZMZXJR-QGZVFWFLSA-N 1 0 417.893 2.262 20 10 HECDRO CC(C)(C)OC(=O)N1C[C@@H]([NH2+]Cc2ccc(O)cc2O)C[C@H]1C(=O)N1CCSC1 ZINC001170022913 1079210051 /nfs/dbraw/zinc/21/00/51/1079210051.db2.gz SDANMPOPHOPEBL-HOCLYGCPSA-N 1 0 423.535 2.098 20 10 HECDRO COc1ccc(N2CCC(NC(=O)NC(C)(C)CC[NH+]3CCN(C)CC3)CC2)cc1 ZINC000771316491 1079282391 /nfs/dbraw/zinc/28/23/91/1079282391.db2.gz OXESGXUXWXJNHL-UHFFFAOYSA-N 1 0 417.598 2.379 20 10 HECDRO CC(C)(C)OC(=O)N1C[C@H]([NH2+]Cc2cccc(O)c2O)C[C@H]1C(=O)N1CCSC1 ZINC001170025860 1079294521 /nfs/dbraw/zinc/29/45/21/1079294521.db2.gz KQMXMOAGIIONAI-CABCVRRESA-N 1 0 423.535 2.098 20 10 HECDRO O=C(CN1CCC[C@H]([NH+]2CCCC2)CC1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000738336181 1075984069 /nfs/dbraw/zinc/98/40/69/1075984069.db2.gz ZOGTYAHZSXZLKP-FQEVSTJZSA-N 1 0 418.557 2.229 20 10 HECDRO CC[N@@H+]1CC[C@@H](N(C)CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C[C@@H]1C ZINC000740883388 1076282020 /nfs/dbraw/zinc/28/20/20/1076282020.db2.gz OFVSQODQPPOPMP-PKOBYXMFSA-N 1 0 406.546 2.083 20 10 HECDRO C[NH+](C)CCOc1cccc(NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)c1 ZINC000741097392 1076368597 /nfs/dbraw/zinc/36/85/97/1076368597.db2.gz PQIQXPBZSHYOIO-UHFFFAOYSA-N 1 0 408.502 2.258 20 10 HECDRO C[C@H](CNC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)[NH+]1CCC(C)CC1 ZINC000743334144 1077029832 /nfs/dbraw/zinc/02/98/32/1077029832.db2.gz OOGCBGHJSBSEIN-UYAOXDASSA-N 1 0 415.582 2.308 20 10 HECDRO COCC[N@@H+]1CC[C@@H](NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1 ZINC000743626817 1077082769 /nfs/dbraw/zinc/08/27/69/1077082769.db2.gz NREPGVWNEDEOPR-HZPDHXFCSA-N 1 0 412.481 2.277 20 10 HECDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000743806631 1077126679 /nfs/dbraw/zinc/12/66/79/1077126679.db2.gz MYDYBDGJBZWYOD-QGZVFWFLSA-N 1 0 417.531 2.358 20 10 HECDRO CC[N@H+](CC(=O)NCCCN1CCCC1=O)Cc1cc(Br)ccc1O ZINC000743871061 1077155876 /nfs/dbraw/zinc/15/58/76/1077155876.db2.gz OJKRMGREFNEPQR-UHFFFAOYSA-N 1 0 412.328 2.105 20 10 HECDRO C[N@H+](CCCNC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)Cc1ccccc1 ZINC000785528235 1080038396 /nfs/dbraw/zinc/03/83/96/1080038396.db2.gz OUWKABDSZKJUJE-UHFFFAOYSA-N 1 0 406.530 2.317 20 10 HECDRO CN(C)c1ccc(CNC(=O)C(=O)NCCC[N@H+](C)Cc2ccccc2)cc1F ZINC000785529777 1080040166 /nfs/dbraw/zinc/04/01/66/1080040166.db2.gz XXJYVPBSPKCICP-UHFFFAOYSA-N 1 0 400.498 2.146 20 10 HECDRO C[C@H](NC(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1ccc(N2CCOCC2)cc1 ZINC000767937857 1080232926 /nfs/dbraw/zinc/23/29/26/1080232926.db2.gz ITAUBUZZSPPNKS-HSQYWUDLSA-N 1 0 416.566 2.261 20 10 HECDRO CC[NH+]1CCN(c2ccc(CNC(=O)N[C@H](C)Cc3cc(C)n[nH]3)cc2F)CC1 ZINC000767971584 1080242174 /nfs/dbraw/zinc/24/21/74/1080242174.db2.gz QCCLMIJNFOGCOU-OAHLLOKOSA-N 1 0 402.518 2.430 20 10 HECDRO Cc1ccc(NC(=O)C(=O)N(C)Cc2ccccc2O)cc1NC(=O)CC[NH+](C)C ZINC000768032328 1080275650 /nfs/dbraw/zinc/27/56/50/1080275650.db2.gz AYEPNOBJAVFPAY-UHFFFAOYSA-N 1 0 412.490 2.188 20 10 HECDRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1cc(NS(C)(=O)=O)ccc1O)[NH+](C)C ZINC000785857955 1080284822 /nfs/dbraw/zinc/28/48/22/1080284822.db2.gz PCKLUTUVPKFALI-KUHUBIRLSA-N 1 0 405.520 2.493 20 10 HECDRO COc1ccc(N2CCN(C(=O)CN3CC[C@H](C[N@H+](C)CC4CC4)C3)CC2)cc1 ZINC000746494565 1080356974 /nfs/dbraw/zinc/35/69/74/1080356974.db2.gz JOZDMIQYLHOKCK-HXUWFJFHSA-N 1 0 400.567 2.008 20 10 HECDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@H](CN3CCN(c4ccccn4)CC3)C1)[C@H](O)CO2 ZINC000768443505 1080563854 /nfs/dbraw/zinc/56/38/54/1080563854.db2.gz FLKOGMYPDYSXPY-XMSQKQJNSA-N 1 0 424.545 2.247 20 10 HECDRO CC(C)C[NH+]1CCC(NC(=O)C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)CC1 ZINC000786330076 1080564558 /nfs/dbraw/zinc/56/45/58/1080564558.db2.gz BOZOLAIHNYDOEH-HXUWFJFHSA-N 1 0 417.550 2.136 20 10 HECDRO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000768465306 1080585701 /nfs/dbraw/zinc/58/57/01/1080585701.db2.gz GFNAUEDECQQLQM-WBMJQRKESA-N 1 0 402.413 2.441 20 10 HECDRO CS(=O)(=O)CC1(CC(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)CC1 ZINC000768532949 1080613652 /nfs/dbraw/zinc/61/36/52/1080613652.db2.gz JOSKIKPYUQFMLM-UHFFFAOYSA-N 1 0 419.591 2.050 20 10 HECDRO O=S(=O)(CC[C@@H]1CCCO1)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768575127 1080640235 /nfs/dbraw/zinc/64/02/35/1080640235.db2.gz GVEIBPABDZRQSS-NRFANRHFSA-N 1 0 407.580 2.207 20 10 HECDRO Cc1noc(C)c1S(=O)(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768580380 1080644068 /nfs/dbraw/zinc/64/40/68/1080644068.db2.gz LBTCAEHPWZFRTN-UHFFFAOYSA-N 1 0 404.536 2.302 20 10 HECDRO C[C@@H](CN1CCCC1=O)NC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768733561 1080760587 /nfs/dbraw/zinc/76/05/87/1080760587.db2.gz WUKHRQGMOVLFOJ-SFHVURJKSA-N 1 0 413.566 2.029 20 10 HECDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)N1C[C@H](O)CC(F)(F)C1 ZINC000786802307 1080834482 /nfs/dbraw/zinc/83/44/82/1080834482.db2.gz RUAFCYCWKVZWCQ-LJQANCHMSA-N 1 0 408.493 2.130 20 10 HECDRO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1ccnc(-n2cncn2)c1 ZINC000768913178 1080853038 /nfs/dbraw/zinc/85/30/38/1080853038.db2.gz VXUJRQBGOJHTLT-KRWDZBQOSA-N 1 0 412.881 2.416 20 10 HECDRO NC(=O)COc1ccc(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)cc1 ZINC000768913018 1080853102 /nfs/dbraw/zinc/85/31/02/1080853102.db2.gz URFPPUQRMSMBTD-QGZVFWFLSA-N 1 0 417.893 2.304 20 10 HECDRO COc1ccc(N2CCCN(C(=O)NC3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)CC2)cc1 ZINC000769157648 1080975216 /nfs/dbraw/zinc/97/52/16/1080975216.db2.gz XRGREONCMCHGHJ-YADHBBJMSA-N 1 0 416.566 2.295 20 10 HECDRO C[C@@H](NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000787063958 1080975536 /nfs/dbraw/zinc/97/55/36/1080975536.db2.gz IROHRQXTWLGBLQ-RBUKOAKNSA-N 1 0 416.566 2.479 20 10 HECDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000787107503 1081018358 /nfs/dbraw/zinc/01/83/58/1081018358.db2.gz MSCIKDQPOWWKQQ-FQEVSTJZSA-N 1 0 417.550 2.281 20 10 HECDRO C[NH+](C)CCOc1ccc(CNC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)cc1 ZINC000787159870 1081037005 /nfs/dbraw/zinc/03/70/05/1081037005.db2.gz OGHVIWIKFJKYFN-UHFFFAOYSA-N 1 0 424.545 2.160 20 10 HECDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C1 ZINC000769385724 1081059908 /nfs/dbraw/zinc/05/99/08/1081059908.db2.gz SQOZVSQXAUZTLG-ZWKOTPCHSA-N 1 0 402.539 2.487 20 10 HECDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)OCC(=O)N2CCO[C@@H](C)C2)C1 ZINC000769665145 1078503933 /nfs/dbraw/zinc/50/39/33/1078503933.db2.gz QLHFXSJHTMJMAG-KRWDZBQOSA-N 1 0 413.518 2.198 20 10 HECDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)O[C@@H](C)C(=O)N2CCOCC2)C1 ZINC000769664264 1078502947 /nfs/dbraw/zinc/50/29/47/1078502947.db2.gz CRDYXFLWUIEMHH-KRWDZBQOSA-N 1 0 413.518 2.198 20 10 HECDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C1 ZINC000745690318 1078601520 /nfs/dbraw/zinc/60/15/20/1078601520.db2.gz ASPGZCWXAFGXIQ-VQTJNVASSA-N 1 0 415.582 2.262 20 10 HECDRO CC[NH+]1CCN(c2cccc(NS(=O)(=O)c3ccc(C(=O)OC)cc3)c2)CC1 ZINC000769848921 1078609274 /nfs/dbraw/zinc/60/92/74/1078609274.db2.gz RRUKZAZGQMCVQX-UHFFFAOYSA-N 1 0 403.504 2.416 20 10 HECDRO CC[NH+]1CCN(c2ccc(CNC(=O)C3=NN(CC(C)C)C(=O)CC3)cc2F)CC1 ZINC000766387779 1078959170 /nfs/dbraw/zinc/95/91/70/1078959170.db2.gz NHDJRLWEGUBKGP-UHFFFAOYSA-N 1 0 417.529 2.218 20 10 HECDRO COc1ccc(N2CCC(NC(=O)C(=O)NC[C@H]3[N@H+](C)CCCC3(C)C)CC2)cc1 ZINC000804318465 1079265746 /nfs/dbraw/zinc/26/57/46/1079265746.db2.gz KPPGGEGHXPHBJJ-HXUWFJFHSA-N 1 0 416.566 2.017 20 10 HECDRO CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1c(C)nn(CC[NH+](C)C)c1C ZINC000771570367 1079388661 /nfs/dbraw/zinc/38/86/61/1079388661.db2.gz XRCZYPQZFJPGKC-UHFFFAOYSA-N 1 0 407.584 2.338 20 10 HECDRO CC[NH+]1CCN(c2cccc(NC(=O)c3ccc([C@@]4(C)NC(=O)NC4=O)cc3)c2)CC1 ZINC000771638089 1079445095 /nfs/dbraw/zinc/44/50/95/1079445095.db2.gz ZGLZFORFZXQJSS-HSZRJFAPSA-N 1 0 421.501 2.135 20 10 HECDRO COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccc(C)cc2OCC[NH+](C)C)c1 ZINC000739078130 1076038819 /nfs/dbraw/zinc/03/88/19/1076038819.db2.gz BRDDZRDJFRKJKU-HNNXBMFYSA-N 1 0 415.490 2.466 20 10 HECDRO CC[N@@H+]1C[C@H](C)N(CC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)C[C@@H]1C ZINC000766252514 1076162713 /nfs/dbraw/zinc/16/27/13/1076162713.db2.gz GWWJJWYFSVPKTD-VJANTYMQSA-N 1 0 420.573 2.470 20 10 HECDRO COc1ccc(N2CC[NH+](CCCNC(=O)[C@@H]3Cc4cc(F)ccc4O3)CC2)cc1 ZINC000740644348 1076207972 /nfs/dbraw/zinc/20/79/72/1076207972.db2.gz AREZDGMKAQNLKH-QFIPXVFZSA-N 1 0 413.493 2.466 20 10 HECDRO CCn1nc(C)c(S(=O)(=O)NCc2ccc(N3CC[NH+](CC)CC3)c(F)c2)c1C ZINC000742293545 1076819811 /nfs/dbraw/zinc/81/98/11/1076819811.db2.gz LMUJPMCKUJDVSJ-UHFFFAOYSA-N 1 0 423.558 2.279 20 10 HECDRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000743315704 1077027433 /nfs/dbraw/zinc/02/74/33/1077027433.db2.gz ZJILRZXKJOYBRR-OAQYLSRUSA-N 1 0 407.530 2.196 20 10 HECDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000743594391 1077077610 /nfs/dbraw/zinc/07/76/10/1077077610.db2.gz ULIAIDZEEBEBGN-SZVBFZGTSA-N 1 0 424.492 2.419 20 10 HECDRO COc1ccc(N2CC[NH+](CCCNC(=O)NCc3c(C)nn(C)c3C)CC2)cc1 ZINC000745351592 1077808558 /nfs/dbraw/zinc/80/85/58/1077808558.db2.gz ROHIBGMOMIGRAC-UHFFFAOYSA-N 1 0 414.554 2.057 20 10 HECDRO COC(=O)C(C)(C)[C@H]1CCC[N@H+](CC(=O)N2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000772375762 1079852957 /nfs/dbraw/zinc/85/29/57/1079852957.db2.gz QYZFIZIZLWGSIG-SFHVURJKSA-N 1 0 417.550 2.255 20 10 HECDRO O=C(NCc1ccccc1O)C(=O)Nc1ccnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000772477718 1079896318 /nfs/dbraw/zinc/89/63/18/1079896318.db2.gz RMLVMHUBMIFGOO-LJQANCHMSA-N 1 0 419.485 2.291 20 10 HECDRO CC1CC[NH+](CCCNC(=O)C(=O)NCc2ccc(N3CCSCC3)cc2)CC1 ZINC000785521335 1080034414 /nfs/dbraw/zinc/03/44/14/1080034414.db2.gz VBPUFORLRJQUOB-UHFFFAOYSA-N 1 0 418.607 2.094 20 10 HECDRO COc1ccc(N2CC[NH+](CCCNC(=O)C(=O)N3CCCCCCC3)CC2)cc1 ZINC000785527036 1080037997 /nfs/dbraw/zinc/03/79/97/1080037997.db2.gz IYQPBINGHUTSIQ-UHFFFAOYSA-N 1 0 416.566 2.116 20 10 HECDRO Cc1ccc(S(N)(=O)=O)c(C(=O)Nc2cccc(N3CC[NH+](C(C)C)CC3)c2)c1 ZINC000767933529 1080230212 /nfs/dbraw/zinc/23/02/12/1080230212.db2.gz MNAGRPDRMGQIPD-UHFFFAOYSA-N 1 0 416.547 2.425 20 10 HECDRO O=C(NCc1ccc(N2CCSCC2)cc1)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000767938344 1080232276 /nfs/dbraw/zinc/23/22/76/1080232276.db2.gz WYRCRBNMLMOHGW-SFTDATJTSA-N 1 0 418.607 2.417 20 10 HECDRO COc1ccc(N2CC[NH+](CCCNC(=O)N[C@H](C)Cc3cc(C)n[nH]3)CC2)cc1 ZINC000767972610 1080242831 /nfs/dbraw/zinc/24/28/31/1080242831.db2.gz ZOTWMXQYRRUMBO-QGZVFWFLSA-N 1 0 414.554 2.169 20 10 HECDRO CN(C)c1ccc2c(c1)OCCN2CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000746492690 1080338713 /nfs/dbraw/zinc/33/87/13/1080338713.db2.gz JUKRDCSTHGLHCZ-UHFFFAOYSA-N 1 0 416.566 2.103 20 10 HECDRO CC[NH+]1CCN(c2ccc(CNC(=O)N[C@H]3CCCC4(C3)OCCO4)cc2F)CC1 ZINC000768331274 1080491355 /nfs/dbraw/zinc/49/13/55/1080491355.db2.gz WWIKBKRVRCDKTK-SFHVURJKSA-N 1 0 420.529 2.453 20 10 HECDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@H](CN3CCN(c4ccccn4)CC3)C1)[C@@H](O)CO2 ZINC000768443503 1080564107 /nfs/dbraw/zinc/56/41/07/1080564107.db2.gz FLKOGMYPDYSXPY-GCJKJVERSA-N 1 0 424.545 2.247 20 10 HECDRO COc1cc(O)c(C[N@H+]2CCCN(Cc3nc([C@H](C)OC)no3)CC2)cc1OC ZINC000768463806 1080584513 /nfs/dbraw/zinc/58/45/13/1080584513.db2.gz MOCKTMZAVSDLJH-AWEZNQCLSA-N 1 0 406.483 2.208 20 10 HECDRO O=C(CNC(=O)c1ccsc1)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768533384 1080615077 /nfs/dbraw/zinc/61/50/77/1080615077.db2.gz NJDMRJWNDHCHJI-UHFFFAOYSA-N 1 0 412.559 2.326 20 10 HECDRO C[C@H](Sc1nncn1C)C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768545081 1080646758 /nfs/dbraw/zinc/64/67/58/1080646758.db2.gz RXPPZUSZJRWTJU-INIZCTEOSA-N 1 0 414.579 2.144 20 10 HECDRO O=C(CNC(=O)Cc1ccccc1)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000768912612 1080851383 /nfs/dbraw/zinc/85/13/83/1080851383.db2.gz PTNLUCGIKDZHES-LJQANCHMSA-N 1 0 415.921 2.485 20 10 HECDRO CC(C)CCC(=O)NCC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768912695 1080851400 /nfs/dbraw/zinc/85/14/00/1080851400.db2.gz CAJWOMDPZMGACP-UHFFFAOYSA-N 1 0 400.567 2.387 20 10 HECDRO NC(=O)COc1cccc(C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)c1 ZINC000768913188 1080853026 /nfs/dbraw/zinc/85/30/26/1080853026.db2.gz HWEXPJIKTVNTRR-UHFFFAOYSA-N 1 0 422.529 2.013 20 10 HECDRO C[C@@H](C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)N1CCSCC1 ZINC000768914915 1080855220 /nfs/dbraw/zinc/85/52/20/1080855220.db2.gz KDKYIEKJFPGFMO-SFHVURJKSA-N 1 0 402.608 2.272 20 10 HECDRO CCCn1nccc1NC(=O)C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000769020575 1080886086 /nfs/dbraw/zinc/88/60/86/1080886086.db2.gz FHJYVYVMXGGBOG-UHFFFAOYSA-N 1 0 424.549 2.080 20 10 HECDRO Cc1noc(C)c1NC(=O)C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000769022818 1080886830 /nfs/dbraw/zinc/88/68/30/1080886830.db2.gz GMSLSYIROSHKDH-UHFFFAOYSA-N 1 0 411.506 2.078 20 10 HECDRO CCc1cc(NC(=O)C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)no1 ZINC000769023878 1080888200 /nfs/dbraw/zinc/88/82/00/1080888200.db2.gz MDUVQYKGCXDDJT-UHFFFAOYSA-N 1 0 411.506 2.024 20 10 HECDRO COc1ccc(N2CCCN(C(=O)NC3CC[NH+]([C@H]4CCC[C@H]4O)CC3)CC2)cc1 ZINC000769157645 1080975262 /nfs/dbraw/zinc/97/52/62/1080975262.db2.gz XRGREONCMCHGHJ-FCHUYYIVSA-N 1 0 416.566 2.295 20 10 HECDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)[C@H]1CCCN1c1ncccn1 ZINC000769165963 1080982695 /nfs/dbraw/zinc/98/26/95/1080982695.db2.gz XMYSTSXAXHDUCS-JOCHJYFZSA-N 1 0 420.561 2.294 20 10 HECDRO COc1cccc(CNC(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)c1O ZINC000745504046 1078517378 /nfs/dbraw/zinc/51/73/78/1078517378.db2.gz PHDSYSMGCLDTMC-UHFFFAOYSA-N 1 0 412.534 2.408 20 10 HECDRO C[NH+](C)CCN(CCCc1ccccc1)C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000769724848 1078536985 /nfs/dbraw/zinc/53/69/85/1078536985.db2.gz LLEVZMIRCBBZKI-UHFFFAOYSA-N 1 0 419.547 2.400 20 10 HECDRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000769735274 1078553229 /nfs/dbraw/zinc/55/32/29/1078553229.db2.gz IVWVTIVDUXDLHE-UHFFFAOYSA-N 1 0 409.483 2.107 20 10 HECDRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000745593826 1078557077 /nfs/dbraw/zinc/55/70/77/1078557077.db2.gz YJCSQJSGJGKBAI-FQEVSTJZSA-N 1 0 406.596 2.492 20 10 HECDRO C[C@@H]1C[C@H](N(C)C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CC[N@@H+]1C ZINC000745692043 1078587856 /nfs/dbraw/zinc/58/78/56/1078587856.db2.gz QWVJHNLQTFLZRC-YVWKXTFCSA-N 1 0 401.555 2.012 20 10 HECDRO CC[NH+]1CCN(c2ccc(CNC(=O)NCCCOC3CCOCC3)cc2F)CC1 ZINC000745807194 1078655110 /nfs/dbraw/zinc/65/51/10/1078655110.db2.gz ADOBAFFOCBMHJO-UHFFFAOYSA-N 1 0 422.545 2.353 20 10 HECDRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N(Cc2ccco2)Cc2ccccc2O)C1 ZINC000745829492 1078665871 /nfs/dbraw/zinc/66/58/71/1078665871.db2.gz FQSRJBCRFQJWFD-GOSISDBHSA-N 1 0 414.506 2.284 20 10 HECDRO CCOC(=O)c1cnn2c1[nH]c(C[NH+]1CCC(CO)(Cc3ccccc3)CC1)cc2=O ZINC000769989043 1078675857 /nfs/dbraw/zinc/67/58/57/1078675857.db2.gz HICQSBDKMUDSOM-UHFFFAOYSA-N 1 0 424.501 2.429 20 10 HECDRO C[C@H](NC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(N2CCOCC2)cc1 ZINC000746168803 1078814221 /nfs/dbraw/zinc/81/42/21/1078814221.db2.gz QUBXIOGLAODHGQ-CYFREDJKSA-N 1 0 409.530 2.337 20 10 HECDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)[C@@H](C)C1 ZINC000746313634 1078853711 /nfs/dbraw/zinc/85/37/11/1078853711.db2.gz GFMUHEPLGNVLRL-SIKLNZKXSA-N 1 0 417.598 2.189 20 10 HECDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000770684293 1078933290 /nfs/dbraw/zinc/93/32/90/1078933290.db2.gz YUCHSJXESMDPBA-UHFFFAOYSA-N 1 0 411.462 2.157 20 10 HECDRO COCOc1ccc(OC)cc1C[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000766468717 1079020309 /nfs/dbraw/zinc/02/03/09/1079020309.db2.gz ILFNXCNXDGOHMZ-UHFFFAOYSA-N 1 0 420.531 2.203 20 10 HECDRO C[C@@H]([NH2+]CCOCCN1C(=O)c2ccccc2C1=O)c1ccc(N2CCOCC2)cc1 ZINC001168802310 1079042126 /nfs/dbraw/zinc/04/21/26/1079042126.db2.gz XZHWMGJDZQVLRD-GOSISDBHSA-N 1 0 423.513 2.487 20 10 HECDRO C[C@H]([NH2+]CCOCCN1C(=O)c2ccccc2C1=O)c1ccc(N2CCOCC2)cc1 ZINC001168802311 1079042192 /nfs/dbraw/zinc/04/21/92/1079042192.db2.gz XZHWMGJDZQVLRD-SFHVURJKSA-N 1 0 423.513 2.487 20 10 HECDRO O=C(CNC(=O)c1ccc(O)cc1)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000771059441 1079119520 /nfs/dbraw/zinc/11/95/20/1079119520.db2.gz RIFVYLMJZMZXJR-KRWDZBQOSA-N 1 0 417.893 2.262 20 10 HECDRO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1ccc(-n2ccnc2)nn1 ZINC000771058903 1079120169 /nfs/dbraw/zinc/12/01/69/1079120169.db2.gz OPRBFELIPHAVPO-INIZCTEOSA-N 1 0 412.881 2.416 20 10 HECDRO COc1ccc(N2CCC(NC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CC2)cc1 ZINC000804319613 1079252607 /nfs/dbraw/zinc/25/26/07/1079252607.db2.gz QARDBYLGDPYBNA-FQEVSTJZSA-N 1 0 418.582 2.263 20 10 HECDRO CCNS(=O)(=O)c1cccc(C(=O)Nc2cccc(N3CC[NH+](CC)CC3)c2)c1 ZINC000771635036 1079442650 /nfs/dbraw/zinc/44/26/50/1079442650.db2.gz CVLHODFBCSQIPW-UHFFFAOYSA-N 1 0 416.547 2.379 20 10 HECDRO CC[NH+]1CCN(c2cccc(NC(=O)c3cccc([C@]4(C)NC(=O)NC4=O)c3)c2)CC1 ZINC000771636990 1079444522 /nfs/dbraw/zinc/44/45/22/1079444522.db2.gz MEESTBUBLRTORY-QHCPKHFHSA-N 1 0 421.501 2.135 20 10 HECDRO COc1ccc(N2CC[NH+](CCCNC(=O)[C@H]3Cc4cc(F)ccc4O3)CC2)cc1 ZINC000740644347 1076207925 /nfs/dbraw/zinc/20/79/25/1076207925.db2.gz AREZDGMKAQNLKH-JOCHJYFZSA-N 1 0 413.493 2.466 20 10 HECDRO COC(=O)[C@@H]1CCC[C@@H](C(=O)NCCC[NH+]2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000742241686 1076804335 /nfs/dbraw/zinc/80/43/35/1076804335.db2.gz TVFSPSZNBAMESZ-RTBURBONSA-N 1 0 417.550 2.303 20 10 HECDRO COc1ccc(N2CCN(CCNC(=O)N3CC[NH+](C4CCCC4)CC3)CC2)cc1 ZINC000743362869 1077032311 /nfs/dbraw/zinc/03/23/11/1077032311.db2.gz LDVRZELBSHVWJM-UHFFFAOYSA-N 1 0 415.582 2.087 20 10 HECDRO CC[NH+](CC)[C@@H]1CCN(CC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)C1 ZINC000743867060 1077153638 /nfs/dbraw/zinc/15/36/38/1077153638.db2.gz JYUSNQNKDRZKGX-CMKODMSKSA-N 1 0 420.573 2.472 20 10 HECDRO CC[N@H+](Cc1cc(Br)ccc1O)[C@H](C)C(=O)N1CCN(C(C)=O)CC1 ZINC000743870930 1077155781 /nfs/dbraw/zinc/15/57/81/1077155781.db2.gz IAJCJIJLXQOWIY-CYBMUJFWSA-N 1 0 412.328 2.056 20 10 HECDRO CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000766330094 1077812549 /nfs/dbraw/zinc/81/25/49/1077812549.db2.gz RVFLNTMFOOJOOC-OALUTQOASA-N 1 0 423.579 2.457 20 10 HECDRO Cn1nc(C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)cc1OC(F)F ZINC000767101571 1079657879 /nfs/dbraw/zinc/65/78/79/1079657879.db2.gz DGCBJRBAFGECIP-UHFFFAOYSA-N 1 0 419.476 2.484 20 10 HECDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3ncn(-c4ccccc4)n3)CC2)cc1 ZINC000767153866 1079717766 /nfs/dbraw/zinc/71/77/66/1079717766.db2.gz BXOZLLDAAROQGA-UHFFFAOYSA-N 1 0 420.517 2.218 20 10 HECDRO O=C(c1ccccc1)N1C[C@@H](C[NH2+]Cc2ccc(N3CCOCC3)cc2)N2CC[C@H]1C2 ZINC000767156598 1079719521 /nfs/dbraw/zinc/71/95/21/1079719521.db2.gz SGHSQLXKSQUMSJ-BJKOFHAPSA-N 1 0 420.557 2.212 20 10 HECDRO CC[C@@H]1CCC[C@@H]1NC(=O)C(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000785526988 1080037905 /nfs/dbraw/zinc/03/79/05/1080037905.db2.gz HPHNRYPGOXHMAA-NQIIRXRSSA-N 1 0 416.566 2.018 20 10 HECDRO CC[C@@H]1CCC[C@H]1NC(=O)C(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000785526990 1080038083 /nfs/dbraw/zinc/03/80/83/1080038083.db2.gz HPHNRYPGOXHMAA-WIYYLYMNSA-N 1 0 416.566 2.018 20 10 HECDRO CC[NH+]1CCN(c2ccc(CNC(=O)N[C@@H](C)Cc3cc(C)n[nH]3)cc2F)CC1 ZINC000767971582 1080242050 /nfs/dbraw/zinc/24/20/50/1080242050.db2.gz QCCLMIJNFOGCOU-HNNXBMFYSA-N 1 0 402.518 2.430 20 10 HECDRO CN(C)c1ccc(CN(C)C(=O)C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000785871221 1080290621 /nfs/dbraw/zinc/29/06/21/1080290621.db2.gz ZLAULQNTKJOKID-UHFFFAOYSA-N 1 0 400.483 2.153 20 10 HECDRO COc1ccc(N2CC[NH+](CCCNC(=O)N(C)CC3CCOCC3)CC2)cc1 ZINC000768028349 1080293678 /nfs/dbraw/zinc/29/36/78/1080293678.db2.gz GZONMRZRDWTKID-UHFFFAOYSA-N 1 0 404.555 2.275 20 10 HECDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CCC[C@H]3c3nncn3C)cc2F)CC1 ZINC000768066935 1080303801 /nfs/dbraw/zinc/30/38/01/1080303801.db2.gz AINUQRWAVSBODL-IBGZPJMESA-N 1 0 415.517 2.143 20 10 HECDRO CC(C)C[NH+]1CCC(NC(=O)C(=O)NCc2ccc(N3CCSCC3)cc2)CC1 ZINC000786328289 1080564236 /nfs/dbraw/zinc/56/42/36/1080564236.db2.gz WDBLJYXEVDXLPO-UHFFFAOYSA-N 1 0 418.607 2.093 20 10 HECDRO O=S(=O)(C[C@H]1CCCCO1)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768575464 1080641832 /nfs/dbraw/zinc/64/18/32/1080641832.db2.gz KEBKIYRXQUNXAX-OAQYLSRUSA-N 1 0 407.580 2.207 20 10 HECDRO CN(C)c1ccc(CN(C(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)C2CC2)cc1 ZINC000768714812 1080731079 /nfs/dbraw/zinc/73/10/79/1080731079.db2.gz AGRBHKPGCRPCEL-UHFFFAOYSA-N 1 0 404.474 2.463 20 10 HECDRO O=C(NCc1ccc(N2CCSCC2)cc1)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000768714900 1080731282 /nfs/dbraw/zinc/73/12/82/1080731282.db2.gz CEACUGLSQFTLSV-UHFFFAOYSA-N 1 0 422.514 2.075 20 10 HECDRO O=C(CCn1cc([N+](=O)[O-])cn1)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768911538 1080850329 /nfs/dbraw/zinc/85/03/29/1080850329.db2.gz QAGPLGBGVUBATM-UHFFFAOYSA-N 1 0 412.494 2.030 20 10 HECDRO COc1ccccc1NC(=O)C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000769025132 1080889100 /nfs/dbraw/zinc/88/91/00/1080889100.db2.gz VLWDPKMDVMLUOQ-UHFFFAOYSA-N 1 0 422.529 2.482 20 10 HECDRO COc1ccc(N2CC[NH+](CCCNC(=O)NCC3(CCO)CCC3)CC2)cc1 ZINC000769016599 1080899042 /nfs/dbraw/zinc/89/90/42/1080899042.db2.gz NZQKBHAYBWJWSY-UHFFFAOYSA-N 1 0 404.555 2.059 20 10 HECDRO CC(C)C(=O)N1CCC[C@@H]1C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000769122533 1080944411 /nfs/dbraw/zinc/94/44/11/1080944411.db2.gz PNABLPSJKSMGAP-JOCHJYFZSA-N 1 0 412.578 2.482 20 10 HECDRO CCN(CC)c1ccc(C[NH+]2CCN(c3cc(N4CCOCC4)ncn3)CC2)cc1 ZINC000769465325 1081089207 /nfs/dbraw/zinc/08/92/07/1081089207.db2.gz FWLHUACMGXACDQ-UHFFFAOYSA-N 1 0 410.566 2.482 20 10 HECDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000745691356 1078586026 /nfs/dbraw/zinc/58/60/26/1078586026.db2.gz JJBUYLCBLLMLEP-PMACEKPBSA-N 1 0 415.582 2.404 20 10 HECDRO C[C@H](NC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)c1ccc(N2CCOCC2)cc1 ZINC000745779597 1078638651 /nfs/dbraw/zinc/63/86/51/1078638651.db2.gz PAIIAISZLPPZIC-RXVVDRJESA-N 1 0 404.555 2.336 20 10 HECDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000769957264 1078651995 /nfs/dbraw/zinc/65/19/95/1078651995.db2.gz KQUOZXBBOKUYKR-BEFAXECRSA-N 1 0 417.531 2.404 20 10 HECDRO CCN1CC[NH+](C[C@H](C)CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)CC1 ZINC000745863112 1078678261 /nfs/dbraw/zinc/67/82/61/1078678261.db2.gz RAIMKVRNNJGDRU-TZIWHRDSSA-N 1 0 418.582 2.356 20 10 HECDRO CC[NH+]1CCN(CCC(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)CC1 ZINC000746018834 1078735411 /nfs/dbraw/zinc/73/54/11/1078735411.db2.gz NUSQDGPDELDANO-QFIPXVFZSA-N 1 0 402.583 2.288 20 10 HECDRO CCC[N@H+](C)CC(=O)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S ZINC000746172877 1078810019 /nfs/dbraw/zinc/81/00/19/1078810019.db2.gz NWNRUWFIBUBHAO-MHWRWJLKSA-N 1 0 421.544 2.075 20 10 HECDRO CC[NH+]1CCN(c2ccc(CNC(=O)Nc3cc(C(=O)OC)ccn3)cc2F)CC1 ZINC000770684240 1078933247 /nfs/dbraw/zinc/93/32/47/1078933247.db2.gz YPNKUUACJHEAMW-UHFFFAOYSA-N 1 0 415.469 2.471 20 10 HECDRO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1ccc2c(c1)C(=O)NC2=O ZINC000771059439 1079119717 /nfs/dbraw/zinc/11/97/17/1079119717.db2.gz RHXZBEVWKJRGHP-HNNXBMFYSA-N 1 0 413.861 2.324 20 10 HECDRO COc1ccc(N2CCC(NC(=O)C(=O)NC[C@@H](C)C[NH+]3CCCCC3)CC2)cc1 ZINC000804317751 1079247633 /nfs/dbraw/zinc/24/76/33/1079247633.db2.gz OSQLKRZQHWIHTF-GOSISDBHSA-N 1 0 416.566 2.018 20 10 HECDRO COc1ccc(N2CC[NH+](CCCNC(=O)N[C@@H]3CCCc4c[nH]nc43)CC2)cc1 ZINC000766845904 1079444682 /nfs/dbraw/zinc/44/46/82/1079444682.db2.gz MKVNEOWJGAKVEQ-HXUWFJFHSA-N 1 0 412.538 2.307 20 10 HECDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)CC[C@H]21 ZINC000766878939 1079473860 /nfs/dbraw/zinc/47/38/60/1079473860.db2.gz KRHXVYCQKGQYMJ-YLJYHZDGSA-N 1 0 404.530 2.413 20 10 HECDRO CC[NH+]1CCN(c2ccc(CNS(=O)(=O)c3cccnc3Cl)cc2F)CC1 ZINC000738376720 1075991885 /nfs/dbraw/zinc/99/18/85/1075991885.db2.gz AFKYDSRZYFTTFU-UHFFFAOYSA-N 1 0 412.918 2.495 20 10 HECDRO CS(=O)(=O)N1CCC([NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1 ZINC000766236426 1076018311 /nfs/dbraw/zinc/01/83/11/1076018311.db2.gz DGQBEJUSCFEXGA-HNNXBMFYSA-N 1 0 403.495 2.270 20 10 HECDRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)NCc2ccc(N3CC=CC3)cc2)c1 ZINC000740911661 1076303162 /nfs/dbraw/zinc/30/31/62/1076303162.db2.gz QLQZNYVZTLYOET-UHFFFAOYSA-N 1 0 421.545 2.354 20 10 HECDRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)NCc3ccc(F)cc3)cc2F)CC1 ZINC000742068606 1076733410 /nfs/dbraw/zinc/73/34/10/1076733410.db2.gz GYKSJOSPAYTCLN-UHFFFAOYSA-N 1 0 416.472 2.039 20 10 HECDRO COc1ccc(N2CCN(CCNC(=O)NC[C@@H](C)[N@@H+]3CCCC[C@H]3C)CC2)cc1 ZINC000743362689 1077032635 /nfs/dbraw/zinc/03/26/35/1077032635.db2.gz HUIHYIXHYGLJRZ-WOJBJXKFSA-N 1 0 417.598 2.379 20 10 HECDRO COc1ccc(N2CCN(CCNC(=O)NCCC[NH2+]C3CCCCC3)CC2)cc1 ZINC000743363994 1077033066 /nfs/dbraw/zinc/03/30/66/1077033066.db2.gz ZXZHSELMNKUTCT-UHFFFAOYSA-N 1 0 417.598 2.429 20 10 HECDRO CN(CC[C@H]1CCCC[N@@H+]1C)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000743855247 1077143005 /nfs/dbraw/zinc/14/30/05/1077143005.db2.gz IEVXFIOETZMZJS-LJQANCHMSA-N 1 0 406.546 2.085 20 10 HECDRO CC[N@H+](CC(=O)N1CCN(C(=O)C2CC2)CC1)Cc1cc(Br)ccc1O ZINC000743871177 1077156025 /nfs/dbraw/zinc/15/60/25/1077156025.db2.gz UYFGXQMXNUNDRA-UHFFFAOYSA-N 1 0 424.339 2.057 20 10 HECDRO COc1ccc(N2CCN(C(=O)C[NH2+]C(C)(C)C(=O)NCC3CCCC3)CC2)cc1 ZINC000767660607 1080025328 /nfs/dbraw/zinc/02/53/28/1080025328.db2.gz YMAUTHIMENVVGF-UHFFFAOYSA-N 1 0 416.566 2.018 20 10 HECDRO O=C(NCc1ccc(N2CCSCC2)cc1)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000767938333 1080231539 /nfs/dbraw/zinc/23/15/39/1080231539.db2.gz WYRCRBNMLMOHGW-LEWJYISDSA-N 1 0 418.607 2.417 20 10 HECDRO COCC[C@H]1CCCC[N@H+](CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000767940149 1080234549 /nfs/dbraw/zinc/23/45/49/1080234549.db2.gz GRVBISGZFOJBOT-GOSISDBHSA-N 1 0 407.530 2.417 20 10 HECDRO COC(=O)CCCNC(=S)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768297207 1080470046 /nfs/dbraw/zinc/47/00/46/1080470046.db2.gz USQATTQZRCRZJK-UHFFFAOYSA-N 1 0 404.580 2.136 20 10 HECDRO CC(C)C[NH+]1CCC(NC(=O)C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)CC1 ZINC000786330075 1080564485 /nfs/dbraw/zinc/56/44/85/1080564485.db2.gz BOZOLAIHNYDOEH-FQEVSTJZSA-N 1 0 417.550 2.136 20 10 HECDRO Cc1nn(C)c(C)c1S(=O)(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768575427 1080641754 /nfs/dbraw/zinc/64/17/54/1080641754.db2.gz JNAVAXNACGUBQO-UHFFFAOYSA-N 1 0 417.579 2.047 20 10 HECDRO O=S(=O)(C[C@@H]1CCCCO1)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768575460 1080641761 /nfs/dbraw/zinc/64/17/61/1080641761.db2.gz KEBKIYRXQUNXAX-NRFANRHFSA-N 1 0 407.580 2.207 20 10 HECDRO C[C@H](CCNC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)[S@](C)=O ZINC000768741325 1080764977 /nfs/dbraw/zinc/76/49/77/1080764977.db2.gz DDDSNDIHDLNULY-UULLZXFKSA-N 1 0 406.596 2.175 20 10 HECDRO C[C@H](OC[C@@H]1CCCO1)C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768915385 1080854793 /nfs/dbraw/zinc/85/47/93/1080854793.db2.gz LYTWKAHHGFBOJD-AVRDEDQJSA-N 1 0 401.551 2.419 20 10 HECDRO C[NH+]1CCC2(CCCN2C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CC1 ZINC000768930721 1080863349 /nfs/dbraw/zinc/86/33/49/1080863349.db2.gz OUUOXYBNHOATKX-LJQANCHMSA-N 1 0 413.566 2.158 20 10 HECDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3cc([N+](=O)[O-])ccc3N)cc2F)CC1 ZINC000786914949 1080882209 /nfs/dbraw/zinc/88/22/09/1080882209.db2.gz KBQBONCULICKHC-UHFFFAOYSA-N 1 0 401.442 2.388 20 10 HECDRO Cc1ccncc1NC(=O)C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000769024787 1080887933 /nfs/dbraw/zinc/88/79/33/1080887933.db2.gz QWNGHQZEYLCTMC-UHFFFAOYSA-N 1 0 407.518 2.177 20 10 HECDRO O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000787140114 1081024480 /nfs/dbraw/zinc/02/44/80/1081024480.db2.gz LRZVJRZFBDNBQQ-NRFANRHFSA-N 1 0 424.524 2.185 20 10 HECDRO C[C@@H](NC(=O)C(=O)NC1CC[NH+](Cc2ccccn2)CC1)c1ccc(N(C)C)cc1 ZINC000787143134 1081027155 /nfs/dbraw/zinc/02/71/55/1081027155.db2.gz DULMPVYQTZJJBJ-QGZVFWFLSA-N 1 0 409.534 2.106 20 10 HECDRO CCOc1ccc(O)c(C[NH+]2CCN(CCNC(=O)c3ccccc3F)CC2)c1 ZINC000769342301 1081049418 /nfs/dbraw/zinc/04/94/18/1081049418.db2.gz JZCIGMQHTGIUGI-UHFFFAOYSA-N 1 0 401.482 2.478 20 10 HECDRO COCCCNC(=O)[C@H](C)OC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000769662408 1078500163 /nfs/dbraw/zinc/50/01/63/1078500163.db2.gz BXVZNLMQLVDGRV-KRWDZBQOSA-N 1 0 415.534 2.492 20 10 HECDRO CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)c1 ZINC000769663929 1078503202 /nfs/dbraw/zinc/50/32/02/1078503202.db2.gz LBWKHZUZLXXUQB-SFHVURJKSA-N 1 0 403.504 2.331 20 10 HECDRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)[C@H](C)C1 ZINC000746313632 1078853782 /nfs/dbraw/zinc/85/37/82/1078853782.db2.gz GFMUHEPLGNVLRL-KNQAVFIVSA-N 1 0 417.598 2.189 20 10 HECDRO CN(C)c1ccc(CN(Cc2ccco2)C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)cc1 ZINC000746118139 1079082750 /nfs/dbraw/zinc/08/27/50/1079082750.db2.gz RRALOMVQHLJQBW-IBGZPJMESA-N 1 0 412.534 2.285 20 10 HECDRO O=C(CCCN1C(=O)CCC1=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000771055591 1079116498 /nfs/dbraw/zinc/11/64/98/1079116498.db2.gz ZPOXINQRYHXRHF-INIZCTEOSA-N 1 0 407.898 2.055 20 10 HECDRO COc1ccc(N2CCC(NC(=O)C(=O)N(C)CC[C@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000804320234 1079266313 /nfs/dbraw/zinc/26/63/13/1079266313.db2.gz YOAKZTXHHDBAQF-LJQANCHMSA-N 1 0 416.566 2.113 20 10 HECDRO CC(=O)N1CC[C@H]([NH2+]Cc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)C1 ZINC001169501268 1079315164 /nfs/dbraw/zinc/31/51/64/1079315164.db2.gz NOZJXXAKTKQKLB-IBGZPJMESA-N 1 0 402.539 2.454 20 10 HECDRO COC(=O)c1cc2ccccc2c(CN2CCN(C(=O)C[NH+]3CCCC3)CC2)c1O ZINC000738162376 1075971348 /nfs/dbraw/zinc/97/13/48/1075971348.db2.gz XWHCARUTGSRRJU-UHFFFAOYSA-N 1 0 411.502 2.072 20 10 HECDRO CC[N@@H+]1C[C@H](C)N(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C[C@H]1C ZINC000766250373 1076151261 /nfs/dbraw/zinc/15/12/61/1076151261.db2.gz LCMOJYGIYWONEM-AOIWGVFYSA-N 1 0 401.555 2.012 20 10 HECDRO C[NH+]1CCN(c2cc(CNC(=O)NCc3ccc(N4CC=CC4)cc3)ccn2)CC1 ZINC000740908122 1076287647 /nfs/dbraw/zinc/28/76/47/1076287647.db2.gz SBPGCFJBYQCXFV-UHFFFAOYSA-N 1 0 406.534 2.209 20 10 HECDRO C[NH+]1CCN(c2ccccc2NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000741099987 1076371040 /nfs/dbraw/zinc/37/10/40/1076371040.db2.gz OXAZCZVQVNATHT-UHFFFAOYSA-N 1 0 419.529 2.070 20 10 HECDRO COc1ccc(N2CC[NH+](CCCNC(=O)NC[C@H](O)c3ccc(C)o3)CC2)cc1 ZINC000741401793 1076511130 /nfs/dbraw/zinc/51/11/30/1076511130.db2.gz FNPPWTRNTVLBFU-FQEVSTJZSA-N 1 0 416.522 2.142 20 10 HECDRO CN(C)c1ccc(CNC(=O)C[NH+]2CCC(C(=O)Nc3ccc(O)cc3)CC2)cc1 ZINC000741779717 1076624669 /nfs/dbraw/zinc/62/46/69/1076624669.db2.gz TYPOHKCPWJGDKK-UHFFFAOYSA-N 1 0 410.518 2.425 20 10 HECDRO COc1ccc(N2CCN(CCNC(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)CC2)cc1 ZINC000742948016 1076899636 /nfs/dbraw/zinc/89/96/36/1076899636.db2.gz LEEDYBOXFCDKNC-UHFFFAOYSA-N 1 0 417.598 2.426 20 10 HECDRO COc1ccc(N2CCN(CCNC(=O)NC[C@@H](C)[N@@H+]3CCC[C@@H](C)C3)CC2)cc1 ZINC000743362546 1077032750 /nfs/dbraw/zinc/03/27/50/1077032750.db2.gz FOMRLECFUSJLGN-WOJBJXKFSA-N 1 0 417.598 2.237 20 10 HECDRO COCC[N@H+](C)CCNC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000743594332 1077077333 /nfs/dbraw/zinc/07/73/33/1077077333.db2.gz UBWJVNJSCFNYHK-OAHLLOKOSA-N 1 0 400.470 2.134 20 10 HECDRO CC[N@H+](Cc1cc(Br)ccc1O)[C@@H](C)C(=O)N(C)CC(=O)NC1CC1 ZINC000743874686 1077158268 /nfs/dbraw/zinc/15/82/68/1077158268.db2.gz YZTRZQFATDFWCM-LBPRGKRZSA-N 1 0 412.328 2.102 20 10 HECDRO CN(CC[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)S(=O)(=O)c1cccs1 ZINC000771979230 1079621396 /nfs/dbraw/zinc/62/13/96/1079621396.db2.gz LVNVJXJQVATFIY-UHFFFAOYSA-N 1 0 413.540 2.134 20 10 HECDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCC[C@@H](C(C)(C)C(=O)OC)C1)cc2=O ZINC000772369377 1079850811 /nfs/dbraw/zinc/85/08/11/1079850811.db2.gz FTWROJMIZGHAJG-CYBMUJFWSA-N 1 0 404.467 2.023 20 10 HECDRO Cc1cc(C(=O)C[N@H+](C)CC2CCOCC2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000767702427 1080030693 /nfs/dbraw/zinc/03/06/93/1080030693.db2.gz OVYIJDWLXYJRMG-UHFFFAOYSA-N 1 0 419.547 2.283 20 10 HECDRO CCOC(=O)[C@H]1CN(C(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)CCO1 ZINC000767949253 1080238674 /nfs/dbraw/zinc/23/86/74/1080238674.db2.gz PRSPYSKLNVYNGC-OAQYLSRUSA-N 1 0 413.518 2.198 20 10 HECDRO CCOC(=O)c1ccc(N2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)nc1 ZINC000768265238 1080449182 /nfs/dbraw/zinc/44/91/82/1080449182.db2.gz SQPQAXWGRDQKCR-UHFFFAOYSA-N 1 0 410.518 2.417 20 10 HECDRO NC(=O)C1CCN(C(=O)C2CC[NH+](Cc3cc(Br)ccc3O)CC2)CC1 ZINC000768334733 1080493266 /nfs/dbraw/zinc/49/32/66/1080493266.db2.gz PVGGOXACSRZWTL-UHFFFAOYSA-N 1 0 424.339 2.091 20 10 HECDRO C[N@H+](CCCOc1ccc(S(C)(=O)=O)cc1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768443578 1080563544 /nfs/dbraw/zinc/56/35/44/1080563544.db2.gz SUVOGGDQWSEKMC-IBGZPJMESA-N 1 0 407.488 2.122 20 10 HECDRO COc1cc(O)c(C[N@H+]2CCCN(Cc3nc([C@@H](C)OC)no3)CC2)cc1OC ZINC000768463809 1080584606 /nfs/dbraw/zinc/58/46/06/1080584606.db2.gz MOCKTMZAVSDLJH-CQSZACIVSA-N 1 0 406.483 2.208 20 10 HECDRO CC[C@@H](C)NC(=O)CCNC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768701695 1080716178 /nfs/dbraw/zinc/71/61/78/1080716178.db2.gz SGDBDOXUKZKRCP-GOSISDBHSA-N 1 0 415.582 2.323 20 10 HECDRO NC(=O)c1cccc(CNC(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)c1 ZINC000768686401 1080746500 /nfs/dbraw/zinc/74/65/00/1080746500.db2.gz KDKHWURCCOMNBV-UHFFFAOYSA-N 1 0 421.545 2.317 20 10 HECDRO O=C(CCOC1CCOCC1)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768912690 1080851371 /nfs/dbraw/zinc/85/13/71/1080851371.db2.gz BXQUONVYXWDMNW-UHFFFAOYSA-N 1 0 401.551 2.421 20 10 HECDRO NC(=O)COc1ccccc1C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000768913187 1080853153 /nfs/dbraw/zinc/85/31/53/1080853153.db2.gz WBHVPMRUPDXAGO-MRXNPFEDSA-N 1 0 417.893 2.304 20 10 HECDRO Cc1csc(NC(=O)C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)n1 ZINC000769025539 1080888732 /nfs/dbraw/zinc/88/87/32/1080888732.db2.gz RMQUHUFNQVCRIR-UHFFFAOYSA-N 1 0 413.547 2.238 20 10 HECDRO COc1ccc(N2CCC(NC(=O)NC3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)CC2)cc1 ZINC000769153505 1080972987 /nfs/dbraw/zinc/97/29/87/1080972987.db2.gz HWBNZYYHFRPYAC-YADHBBJMSA-N 1 0 416.566 2.341 20 10 HECDRO Cc1ccc(S(=O)(=O)NCCN2CC[NH+](Cc3ccc(N(C)C)cc3)CC2)cc1 ZINC000769378312 1081057527 /nfs/dbraw/zinc/05/75/27/1081057527.db2.gz BDLHSAKGTZLYOG-UHFFFAOYSA-N 1 0 416.591 2.157 20 10 HECDRO CC[N@H+](CC(=O)NC1CCN(C(C)=O)CC1)Cc1cc(Br)ccc1O ZINC000744425159 1081065455 /nfs/dbraw/zinc/06/54/55/1081065455.db2.gz CPZMUQLMGJPABX-UHFFFAOYSA-N 1 0 412.328 2.104 20 10 HECDRO CCCNC(=O)NC(=O)COC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000769663657 1078503747 /nfs/dbraw/zinc/50/37/47/1078503747.db2.gz OXHLWJHTJQFEJA-UHFFFAOYSA-N 1 0 414.506 2.187 20 10 HECDRO CC[NH+]1CCN(c2cccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)c2)CC1 ZINC000769846666 1078606201 /nfs/dbraw/zinc/60/62/01/1078606201.db2.gz BGZIMQWHEONGTL-UHFFFAOYSA-N 1 0 403.504 2.401 20 10 HECDRO CC[NH+]1CCN(c2cccc(NS(=O)(=O)c3cccc(S(C)(=O)=O)c3)c2)CC1 ZINC000769848942 1078608751 /nfs/dbraw/zinc/60/87/51/1078608751.db2.gz SQCDAJLGLMSOIJ-UHFFFAOYSA-N 1 0 423.560 2.033 20 10 HECDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000769957273 1078652067 /nfs/dbraw/zinc/65/20/67/1078652067.db2.gz KQUOZXBBOKUYKR-HNAYVOBHSA-N 1 0 417.531 2.404 20 10 HECDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000769926782 1078661855 /nfs/dbraw/zinc/66/18/55/1078661855.db2.gz BKCDSGAPGFRTJK-UHFFFAOYSA-N 1 0 403.548 2.372 20 10 HECDRO CN(C(=O)c1cc(NS(C)(=O)=O)ccc1O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000770009542 1078685398 /nfs/dbraw/zinc/68/53/98/1078685398.db2.gz JQINQXZGGFRFAH-QGZVFWFLSA-N 1 0 403.504 2.110 20 10 HECDRO CC[NH+]1CCN(c2cccc(NC(=O)c3cccc(CN4C(=O)CNC4=O)c3)c2)CC1 ZINC000770155234 1078756507 /nfs/dbraw/zinc/75/65/07/1078756507.db2.gz TXUXZBKZAPFVGB-UHFFFAOYSA-N 1 0 421.501 2.133 20 10 HECDRO CC[NH+]1CCN(c2cccc(NC(=O)c3cc(S(N)(=O)=O)ccc3C)c2)CC1 ZINC000770285951 1078807964 /nfs/dbraw/zinc/80/79/64/1078807964.db2.gz IQFJMOMZCIPCPO-UHFFFAOYSA-N 1 0 402.520 2.037 20 10 HECDRO CC[NH+]1CCN(c2cccc(NC(=O)c3ccc(NS(C)(=O)=O)cc3)c2)CC1 ZINC000770285287 1078808307 /nfs/dbraw/zinc/80/83/07/1078808307.db2.gz AWOGRAHHUKGYPN-UHFFFAOYSA-N 1 0 402.520 2.452 20 10 HECDRO CC[NH+]1CCN(c2cccc(NC(=O)c3cc(S(N)(=O)=O)ccc3Cl)c2)CC1 ZINC000770286848 1078808689 /nfs/dbraw/zinc/80/86/89/1078808689.db2.gz QZPBEEWOXLTXNH-UHFFFAOYSA-N 1 0 422.938 2.382 20 10 HECDRO CC[NH+]1CCN(c2cccc(NC(=O)c3cc(C)c(C)c(S(N)(=O)=O)c3)c2)CC1 ZINC000770287338 1078808986 /nfs/dbraw/zinc/80/89/86/1078808986.db2.gz YACOUCZPYBYVQA-UHFFFAOYSA-N 1 0 416.547 2.345 20 10 HECDRO NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)N3CC[C@H](C[NH+]4CCCC4)C3)cc2)C1 ZINC000746413186 1078906711 /nfs/dbraw/zinc/90/67/11/1078906711.db2.gz CIJGWPLZSVIEKL-WOJBJXKFSA-N 1 0 413.566 2.016 20 10 HECDRO CCOC(=O)c1nn(C)cc1CNCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000770655523 1078941682 /nfs/dbraw/zinc/94/16/82/1078941682.db2.gz YESCNTPUHHMVTF-UHFFFAOYSA-N 1 0 403.502 2.168 20 10 HECDRO COc1ccc(N2CC[NH+](CCCNC(=O)NC[C@@H]3CCO[C@H](C)C3)CC2)cc1 ZINC000770826567 1079033547 /nfs/dbraw/zinc/03/35/47/1079033547.db2.gz JGFINJDULNROKC-RTBURBONSA-N 1 0 404.555 2.322 20 10 HECDRO Cc1occc1C(=O)NCC(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000771051910 1079114655 /nfs/dbraw/zinc/11/46/55/1079114655.db2.gz DAHJEBLSIKPBOC-MRXNPFEDSA-N 1 0 405.882 2.458 20 10 HECDRO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000771054997 1079115984 /nfs/dbraw/zinc/11/59/84/1079115984.db2.gz AWLIEKTVJBGITP-ZDUSSCGKSA-N 1 0 406.826 2.449 20 10 HECDRO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1ccc(-n2cncn2)nc1 ZINC000771055787 1079116596 /nfs/dbraw/zinc/11/65/96/1079116596.db2.gz FDZUMBOIEXYVRH-KRWDZBQOSA-N 1 0 412.881 2.416 20 10 HECDRO COc1ccc(N2CCC(NC(=O)C(=O)NCC3(C[NH+](C)C)CCCC3)CC2)cc1 ZINC000804319080 1079241731 /nfs/dbraw/zinc/24/17/31/1079241731.db2.gz XWFWIBQKSSHOQL-UHFFFAOYSA-N 1 0 416.566 2.018 20 10 HECDRO CN1CC[NH+](CCC(C)(C)NC(=O)NCc2ccc(N3CCSCC3)cc2)CC1 ZINC000771290933 1079242917 /nfs/dbraw/zinc/24/29/17/1079242917.db2.gz JGKBPGFLCHYHTC-UHFFFAOYSA-N 1 0 419.639 2.455 20 10 HECDRO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000804319918 1079252025 /nfs/dbraw/zinc/25/20/25/1079252025.db2.gz VFVUQTVHQJJBSQ-UHFFFAOYSA-N 1 0 416.566 2.115 20 10 HECDRO COCCN(CCC(=O)OC)C(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000766688592 1079280221 /nfs/dbraw/zinc/28/02/21/1079280221.db2.gz GTDMOBWJZCPMHV-UHFFFAOYSA-N 1 0 415.534 2.446 20 10 HECDRO CC[NH+]1CCN(c2ccc(CNC(=O)N[C@H]3CCO[C@]4(CCOC4)C3)cc2F)CC1 ZINC000771435752 1079342631 /nfs/dbraw/zinc/34/26/31/1079342631.db2.gz XYWWWMIUGOUWPA-PGRDOPGGSA-N 1 0 420.529 2.105 20 10 HECDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)CC[C@@H]21 ZINC000766878938 1079473720 /nfs/dbraw/zinc/47/37/20/1079473720.db2.gz KRHXVYCQKGQYMJ-XLIONFOSSA-N 1 0 404.530 2.413 20 10 HECDRO CC[C@H](NC(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1)[C@H](O)C(F)(F)F ZINC000766248824 1076140763 /nfs/dbraw/zinc/14/07/63/1076140763.db2.gz PRDYNNIQLYDVQZ-RDJZCZTQSA-N 1 0 420.451 2.469 20 10 HECDRO CCO[C@H]1C[C@@H]([N@H+](C)CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1(C)C ZINC000740887209 1076286126 /nfs/dbraw/zinc/28/61/26/1076286126.db2.gz QUHDUZXCFPRESF-UXHICEINSA-N 1 0 407.530 2.414 20 10 HECDRO CC[N@H+](Cc1cc(Br)ccc1O)[C@H](C)C(=O)N1CCC(C(N)=O)CC1 ZINC000743873042 1077156846 /nfs/dbraw/zinc/15/68/46/1077156846.db2.gz HFGLCNJBCDZTOK-GFCCVEGCSA-N 1 0 412.328 2.089 20 10 HECDRO COc1ccc(N2CC[NH+](CCCNC(=O)NC[C@](C)(O)c3ccco3)CC2)cc1 ZINC000745349466 1077811546 /nfs/dbraw/zinc/81/15/46/1077811546.db2.gz IHLHFJBNQKCZCA-QFIPXVFZSA-N 1 0 416.522 2.007 20 10 HECDRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000766330095 1077812528 /nfs/dbraw/zinc/81/25/28/1077812528.db2.gz RVFLNTMFOOJOOC-RBUKOAKNSA-N 1 0 423.579 2.457 20 10 HECDRO COc1ccc(N2CCN(CC(=O)NC[C@H](c3ccccc3)[NH+](C)C)CC2)cc1F ZINC000771764266 1079518112 /nfs/dbraw/zinc/51/81/12/1079518112.db2.gz XVARDVABEVGUIN-OAQYLSRUSA-N 1 0 414.525 2.375 20 10 HECDRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1cc(NS(C)(=O)=O)ccc1O)[NH+](C)C ZINC000785857949 1080284782 /nfs/dbraw/zinc/28/47/82/1080284782.db2.gz PCKLUTUVPKFALI-IFXJQAMLSA-N 1 0 405.520 2.493 20 10 HECDRO Cc1nn(C)c(N2CCOCC2)c1C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000768161488 1080378701 /nfs/dbraw/zinc/37/87/01/1080378701.db2.gz FTJIWSUROGRKGH-LJQANCHMSA-N 1 0 400.523 2.452 20 10 HECDRO COCCNC(=O)C1CC[NH+](Cc2cc(Br)cc(OC)c2O)CC1 ZINC000768235614 1080435985 /nfs/dbraw/zinc/43/59/85/1080435985.db2.gz BBNWKKOQOSPIFT-UHFFFAOYSA-N 1 0 401.301 2.138 20 10 HECDRO C[N@H+](CCCOc1ccc(S(C)(=O)=O)cc1)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768443579 1080563274 /nfs/dbraw/zinc/56/32/74/1080563274.db2.gz SUVOGGDQWSEKMC-LJQANCHMSA-N 1 0 407.488 2.122 20 10 HECDRO CCN(CC)C(=O)CCC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768542672 1080619046 /nfs/dbraw/zinc/61/90/46/1080619046.db2.gz FXBKHFYTVZTWKH-UHFFFAOYSA-N 1 0 400.567 2.483 20 10 HECDRO O=C(CNC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)N1CCCCC1 ZINC000768695003 1080713065 /nfs/dbraw/zinc/71/30/65/1080713065.db2.gz JDPLPOKHDQHEGD-UHFFFAOYSA-N 1 0 413.566 2.030 20 10 HECDRO O=C(NCc1nc(C2CC2)no1)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768714468 1080729654 /nfs/dbraw/zinc/72/96/54/1080729654.db2.gz SILLDGSRCIRVJE-UHFFFAOYSA-N 1 0 410.522 2.478 20 10 HECDRO Cc1noc(CCCNC(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)n1 ZINC000768714456 1080729809 /nfs/dbraw/zinc/72/98/09/1080729809.db2.gz RZIOMTPXBUJFFX-UHFFFAOYSA-N 1 0 412.538 2.342 20 10 HECDRO C[C@H](CCNC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)[S@@](C)=O ZINC000768741324 1080764880 /nfs/dbraw/zinc/76/48/80/1080764880.db2.gz DDDSNDIHDLNULY-JYRCXFKTSA-N 1 0 406.596 2.175 20 10 HECDRO COc1cc(C[N@H+](C)Cc2ccccc2O)ccc1OCC(=O)N1CCOCC1 ZINC000768872981 1080826767 /nfs/dbraw/zinc/82/67/67/1080826767.db2.gz NUQSVQPXRHBJCJ-UHFFFAOYSA-N 1 0 400.475 2.270 20 10 HECDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1ccc2c(c1)C(=O)NC2=O ZINC000768910549 1080850263 /nfs/dbraw/zinc/85/02/63/1080850263.db2.gz FVECTBURFJBSJM-UHFFFAOYSA-N 1 0 418.497 2.032 20 10 HECDRO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1ccccc1-n1cnnn1 ZINC000768913299 1080852467 /nfs/dbraw/zinc/85/24/67/1080852467.db2.gz YQWGNUFPZDEROO-MRXNPFEDSA-N 1 0 412.881 2.416 20 10 HECDRO CC(C)CN1C[C@H](C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)CC1=O ZINC000768913166 1080853018 /nfs/dbraw/zinc/85/30/18/1080853018.db2.gz HPGHTMOMDRMECG-OAQYLSRUSA-N 1 0 412.578 2.339 20 10 HECDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1ccnc(-n2cncn2)c1 ZINC000768913234 1080853031 /nfs/dbraw/zinc/85/30/31/1080853031.db2.gz ISZWZRDTYZIKCC-UHFFFAOYSA-N 1 0 417.517 2.124 20 10 HECDRO NC(=O)COc1ccccc1C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000768913185 1080853056 /nfs/dbraw/zinc/85/30/56/1080853056.db2.gz WBHVPMRUPDXAGO-INIZCTEOSA-N 1 0 417.893 2.304 20 10 HECDRO Cc1ccn2ncc(C(=O)NCc3ccc(N4CC[NH+](CC5CC5)CC4)cc3)c2n1 ZINC000768913156 1080853183 /nfs/dbraw/zinc/85/31/83/1080853183.db2.gz HCXSFDZLOJOPLD-UHFFFAOYSA-N 1 0 404.518 2.500 20 10 HECDRO CCC(=O)N1CSC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000768914616 1080853840 /nfs/dbraw/zinc/85/38/40/1080853840.db2.gz FSCDBQVRVDAGTL-CVEARBPZSA-N 1 0 411.955 2.438 20 10 HECDRO C[C@@H]1[C@H](C)[S@@](=O)CCN1C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000769039542 1080892426 /nfs/dbraw/zinc/89/24/26/1080892426.db2.gz XGVVIKRSAPZXKI-BPFYBUMWSA-N 1 0 418.607 2.270 20 10 HECDRO O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000769156849 1080974779 /nfs/dbraw/zinc/97/47/79/1080974779.db2.gz UJVAHNPQRHWXGP-TUNNFDKTSA-N 1 0 417.550 2.461 20 10 HECDRO Cc1nc(SCCC(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)n[nH]1 ZINC000769165894 1080982029 /nfs/dbraw/zinc/98/20/29/1080982029.db2.gz WFEYTOBYYAOVIL-UHFFFAOYSA-N 1 0 414.579 2.444 20 10 HECDRO CCN1CCN(C(=O)CC2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)CC1 ZINC000769338662 1081048396 /nfs/dbraw/zinc/04/83/96/1081048396.db2.gz TYVOHISLVFZPPX-UHFFFAOYSA-N 1 0 414.594 2.289 20 10 HECDRO Cc1ccc(S(=O)(=O)NCCN2CC[NH+](Cc3cc(C)ccc3O)CC2)cc1 ZINC000769380404 1081058260 /nfs/dbraw/zinc/05/82/60/1081058260.db2.gz VVYHTFJIDBXEAV-UHFFFAOYSA-N 1 0 403.548 2.105 20 10 HECDRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000745646181 1078574180 /nfs/dbraw/zinc/57/41/80/1078574180.db2.gz BROOENBLQGADDT-LJQANCHMSA-N 1 0 422.545 2.039 20 10 HECDRO C[C@@H](NC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)c1ccc(N2CCOCC2)cc1 ZINC000745779598 1078638731 /nfs/dbraw/zinc/63/87/31/1078638731.db2.gz PAIIAISZLPPZIC-WIYYLYMNSA-N 1 0 404.555 2.336 20 10 HECDRO C[C@H]1CN(c2ccc(CNC(=O)C[N@@H+]3CCC34CCOCC4)cc2F)C[C@H](C)O1 ZINC000769893558 1078646586 /nfs/dbraw/zinc/64/65/86/1078646586.db2.gz PXISEAGLXDWJCO-IRXDYDNUSA-N 1 0 405.514 2.310 20 10 HECDRO CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H]1CC[N@H+](CCOC)C1 ZINC000745832286 1078666921 /nfs/dbraw/zinc/66/69/21/1078666921.db2.gz DDDYHHOYJQVEPG-OAHLLOKOSA-N 1 0 400.317 2.407 20 10 HECDRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000770344444 1078837392 /nfs/dbraw/zinc/83/73/92/1078837392.db2.gz KSYBLDPJMAJACG-GOSISDBHSA-N 1 0 405.612 2.065 20 10 HECDRO O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000746280270 1078843534 /nfs/dbraw/zinc/84/35/34/1078843534.db2.gz OMNDAZKWUQUVGP-RUZDIDTESA-N 1 0 423.557 2.149 20 10 HECDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000746364356 1078876841 /nfs/dbraw/zinc/87/68/41/1078876841.db2.gz AWJPACHULYXNDF-UHFFFAOYSA-N 1 0 412.538 2.032 20 10 HECDRO CCOC(=O)C1(CNC(=O)NCc2ccc(N3CC[NH+](CC)CC3)c(F)c2)CC1 ZINC000770562574 1078904610 /nfs/dbraw/zinc/90/46/10/1078904610.db2.gz ZDOXDZSHWRFVNV-UHFFFAOYSA-N 1 0 406.502 2.110 20 10 HECDRO CC[NH+]1CCN(c2cccc(NC(=O)C(=O)NCc3ccc(N(C)C)cc3)c2)CC1 ZINC000770711072 1078979126 /nfs/dbraw/zinc/97/91/26/1078979126.db2.gz LBIMZGMNQGKCTG-UHFFFAOYSA-N 1 0 409.534 2.149 20 10 HECDRO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1cnc2c(c1)NC(=O)CO2 ZINC000770790791 1079018363 /nfs/dbraw/zinc/01/83/63/1079018363.db2.gz GLISWPOMNBYOEJ-HNNXBMFYSA-N 1 0 416.865 2.166 20 10 HECDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)CC[C@@H]21 ZINC000766880252 1079474998 /nfs/dbraw/zinc/47/49/98/1079474998.db2.gz KYPIOZASHYSTEN-SBHAEUEKSA-N 1 0 413.566 2.014 20 10 HECDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CCC[C@H](C(=O)OC)C3)cc2F)CC1 ZINC000739005110 1076030194 /nfs/dbraw/zinc/03/01/94/1076030194.db2.gz NKWVNQNPXASPBC-KRWDZBQOSA-N 1 0 406.502 2.062 20 10 HECDRO C[N@H+](CCCO)C1CCN(C(=O)NCc2ccc(N3CCSCC3)cc2)CC1 ZINC000741078166 1076356150 /nfs/dbraw/zinc/35/61/50/1076356150.db2.gz DNUDDNOSNGDEGM-UHFFFAOYSA-N 1 0 406.596 2.228 20 10 HECDRO C[C@@H]1CN(c2ccc(CNC(=O)CN(C)C[C@@H]3CCC[N@H+](C)C3)cc2F)C[C@@H](C)O1 ZINC000741249157 1076436326 /nfs/dbraw/zinc/43/63/26/1076436326.db2.gz CPQQKQPAPGORCA-QWFCFKBJSA-N 1 0 420.573 2.329 20 10 HECDRO COc1ccc(N2CCN(CCNC(=O)NCCC[NH+]3CCC(C)CC3)CC2)cc1 ZINC000742947414 1076899471 /nfs/dbraw/zinc/89/94/71/1076899471.db2.gz DOBCNCGOSRBQOZ-UHFFFAOYSA-N 1 0 417.598 2.238 20 10 HECDRO CC[NH+]1CCN(c2ccc(CNC(=O)NCCC(=O)OC(C)(C)C)cc2F)CC1 ZINC000743633597 1077083969 /nfs/dbraw/zinc/08/39/69/1077083969.db2.gz PFUIXMMWBVLUFH-UHFFFAOYSA-N 1 0 408.518 2.499 20 10 HECDRO CC[NH+](CC)[C@@H]1CCN(CC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)C1 ZINC000743867062 1077153164 /nfs/dbraw/zinc/15/31/64/1077153164.db2.gz JYUSNQNKDRZKGX-QWFCFKBJSA-N 1 0 420.573 2.472 20 10 HECDRO COc1ccc(N2CC[NH+](CCCNC(=O)NC[C@@H]3CCC[C@H](O)C3)CC2)cc1 ZINC000745348033 1077810997 /nfs/dbraw/zinc/81/09/97/1077810997.db2.gz AQMWYKINHATLHG-QUCCMNQESA-N 1 0 404.555 2.058 20 10 HECDRO COc1ccc(N2CC[NH+](CCCNC(=O)C3(C)COC(C)(C)OC3)CC2)cc1 ZINC000767179311 1079713225 /nfs/dbraw/zinc/71/32/25/1079713225.db2.gz OXFJUMUUEILPHV-UHFFFAOYSA-N 1 0 405.539 2.113 20 10 HECDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+]C(C)(C)C(=O)NCC1CCCCC1)cc2=O ZINC000767673652 1080019920 /nfs/dbraw/zinc/01/99/20/1080019920.db2.gz VZSSDCOVETVFSA-UHFFFAOYSA-N 1 0 417.510 2.176 20 10 HECDRO COc1ccc(N2CCC(NC(=O)C(=O)NCCC[NH+]3CCC(C)CC3)CC2)cc1 ZINC000785520473 1080033611 /nfs/dbraw/zinc/03/36/11/1080033611.db2.gz NZUBPCGTZHRNEI-UHFFFAOYSA-N 1 0 416.566 2.018 20 10 HECDRO COc1ccc(N2CC[NH+](CCCNC(=O)C(=O)N[C@H]3CCC[C@H](C)C3)CC2)cc1 ZINC000785526652 1080037861 /nfs/dbraw/zinc/03/78/61/1080037861.db2.gz GJAUDISZIRYMMR-OALUTQOASA-N 1 0 416.566 2.018 20 10 HECDRO Cc1ccc(S(=O)(=O)Nc2cccc(N3CC[NH+](C(C)C)CC3)c2)cc1C(N)=O ZINC000768015292 1080283132 /nfs/dbraw/zinc/28/31/32/1080283132.db2.gz FOJAOBJJAHGAPM-UHFFFAOYSA-N 1 0 416.547 2.425 20 10 HECDRO COc1ccc(N2CCN(C(=O)C3CCC([NH+]4CCOCC4)CC3)CC2)c(OC)c1 ZINC001169989942 1080414663 /nfs/dbraw/zinc/41/46/63/1080414663.db2.gz KSQISNNECVRSBL-UHFFFAOYSA-N 1 0 417.550 2.243 20 10 HECDRO CC(=O)N1CCC(NC(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)CC1 ZINC000768272971 1080454489 /nfs/dbraw/zinc/45/44/89/1080454489.db2.gz XZIWIVPTLSRKSN-UHFFFAOYSA-N 1 0 413.566 2.029 20 10 HECDRO COc1cc(O)c(C[NH+]2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)cc1OC ZINC000768440473 1080561629 /nfs/dbraw/zinc/56/16/29/1080561629.db2.gz WYVOUBILFOTXOY-UHFFFAOYSA-N 1 0 424.494 2.491 20 10 HECDRO C[N@H+](CCCOc1cccc(S(C)(=O)=O)c1)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768443901 1080563224 /nfs/dbraw/zinc/56/32/24/1080563224.db2.gz IRQQSXPNOHPFJX-LJQANCHMSA-N 1 0 407.488 2.122 20 10 HECDRO COc1cc(C[NH+]2CCC(N(CC(F)(F)F)S(C)(=O)=O)CC2)c(O)cc1C ZINC000768447256 1080565130 /nfs/dbraw/zinc/56/51/30/1080565130.db2.gz NSZFKIGAZJDZPV-UHFFFAOYSA-N 1 0 410.458 2.498 20 10 HECDRO CC(C)C[NH+]1CCC(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CC1 ZINC000786330420 1080565312 /nfs/dbraw/zinc/56/53/12/1080565312.db2.gz LASPEPXTSDJOAL-UHFFFAOYSA-N 1 0 400.567 2.480 20 10 HECDRO COc1cc(Br)cc(C[N@H+](CCO)CCNC(=O)OC(C)(C)C)c1O ZINC000768535039 1080615163 /nfs/dbraw/zinc/61/51/63/1080615163.db2.gz JLTCXPJHYMQOSL-UHFFFAOYSA-N 1 0 419.316 2.482 20 10 HECDRO O=C(NCCOC[C@H]1CCOC1)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768724780 1080754961 /nfs/dbraw/zinc/75/49/61/1080754961.db2.gz RJLQZIMGTPGALP-NRFANRHFSA-N 1 0 416.566 2.071 20 10 HECDRO C[C@@H](CCNC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)[S@@](C)=O ZINC000768741326 1080765047 /nfs/dbraw/zinc/76/50/47/1080765047.db2.gz DDDSNDIHDLNULY-YMGMXPECSA-N 1 0 406.596 2.175 20 10 HECDRO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1cccc(-n2cnnn2)c1 ZINC000768912602 1080851405 /nfs/dbraw/zinc/85/14/05/1080851405.db2.gz PGZBDCGQNROOKF-KRWDZBQOSA-N 1 0 412.881 2.416 20 10 HECDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1ccccc1-n1cnnn1 ZINC000768913706 1080852524 /nfs/dbraw/zinc/85/25/24/1080852524.db2.gz QGEIDXJDVAZTIF-UHFFFAOYSA-N 1 0 417.517 2.124 20 10 HECDRO COc1cccc(NC(=O)C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)c1 ZINC000769026640 1080889081 /nfs/dbraw/zinc/88/90/81/1080889081.db2.gz YQIXYMBUCMIODM-UHFFFAOYSA-N 1 0 422.529 2.482 20 10 HECDRO Cc1ccc(O)c(C[N@@H+]2CCCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c1 ZINC000769209999 1081003602 /nfs/dbraw/zinc/00/36/02/1081003602.db2.gz KURYXYXGLRNMFL-UHFFFAOYSA-N 1 0 418.515 2.368 20 10 HECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000787145103 1081028373 /nfs/dbraw/zinc/02/83/73/1081028373.db2.gz VYJIYUFHMCEEQQ-UHFFFAOYSA-N 1 0 423.561 2.277 20 10 HECDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)OCC(=O)NC[C@H]2CCCO2)C1 ZINC000769665607 1078506243 /nfs/dbraw/zinc/50/62/43/1078506243.db2.gz VPEVUUSZVWAMLN-QGZVFWFLSA-N 1 0 413.518 2.246 20 10 HECDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3cc([N+](=O)[O-])ccc3N)CC2)cc1 ZINC000769674715 1078515703 /nfs/dbraw/zinc/51/57/03/1078515703.db2.gz FKRNECYENZMKML-UHFFFAOYSA-N 1 0 413.478 2.128 20 10 HECDRO CC[NH+](CC)[C@H]1CCN(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C1 ZINC000745690507 1078601509 /nfs/dbraw/zinc/60/15/09/1078601509.db2.gz CHUIPSFUZRZTAH-ICSRJNTNSA-N 1 0 401.555 2.014 20 10 HECDRO CC[NH+]1CCN(c2ccc(CNC(=O)NC[C@@](C)(O)c3ccco3)cc2F)CC1 ZINC000745807552 1078655158 /nfs/dbraw/zinc/65/51/58/1078655158.db2.gz DPLJGUPTCDSFRO-OAQYLSRUSA-N 1 0 404.486 2.268 20 10 HECDRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)N(Cc2ccco2)Cc2ccccc2O)C1 ZINC000745829493 1078666005 /nfs/dbraw/zinc/66/60/05/1078666005.db2.gz FQSRJBCRFQJWFD-SFHVURJKSA-N 1 0 414.506 2.284 20 10 HECDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000745830866 1078666421 /nfs/dbraw/zinc/66/64/21/1078666421.db2.gz CIWWVIYLAACVET-IBGZPJMESA-N 1 0 403.571 2.260 20 10 HECDRO CC[NH+]1CCN(c2cccc(NC(=O)c3ccc(Cl)c(S(N)(=O)=O)c3)c2)CC1 ZINC000770285843 1078808036 /nfs/dbraw/zinc/80/80/36/1078808036.db2.gz GLBZFZATCBIITN-UHFFFAOYSA-N 1 0 422.938 2.382 20 10 HECDRO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1ccc2c(c1)C(=O)NC2=O ZINC000771059440 1079119702 /nfs/dbraw/zinc/11/97/02/1079119702.db2.gz RHXZBEVWKJRGHP-OAHLLOKOSA-N 1 0 413.861 2.324 20 10 HECDRO COc1ccc(N2CC[NH+](CCCNC(=O)N[C@H](CO)c3ccsc3)CC2)cc1 ZINC000771295781 1079269331 /nfs/dbraw/zinc/26/93/31/1079269331.db2.gz LHEZNCXSGVUZHE-HXUWFJFHSA-N 1 0 418.563 2.302 20 10 HECDRO CC[NH+]1CCN(c2ccc(CNC(=O)N(C)CCc3cnccn3)cc2F)CC1 ZINC000771430116 1079339265 /nfs/dbraw/zinc/33/92/65/1079339265.db2.gz CSIHCGKLQFRHFP-UHFFFAOYSA-N 1 0 400.502 2.142 20 10 HECDRO CC[NH+]1CCN(c2ccc(CNC(=O)N[C@@H]3CCO[C@]4(CCOC4)C3)cc2F)CC1 ZINC000771435755 1079342620 /nfs/dbraw/zinc/34/26/20/1079342620.db2.gz XYWWWMIUGOUWPA-XMSQKQJNSA-N 1 0 420.529 2.105 20 10 HECDRO CCC[C@@H]1CN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC[N@@H+]1CCOC ZINC000766764508 1079352895 /nfs/dbraw/zinc/35/28/95/1079352895.db2.gz NVFCUBCVENFHNG-LJQANCHMSA-N 1 0 422.545 2.305 20 10 HECDRO CN(C)S(=O)(=O)c1ccc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000766240204 1076089276 /nfs/dbraw/zinc/08/92/76/1076089276.db2.gz WMKZKWRQUIOYLB-UHFFFAOYSA-N 1 0 403.548 2.406 20 10 HECDRO CC[C@H](NC(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1)[C@@H](O)C(F)(F)F ZINC000766248819 1076138965 /nfs/dbraw/zinc/13/89/65/1076138965.db2.gz PRDYNNIQLYDVQZ-DOTOQJQBSA-N 1 0 420.451 2.469 20 10 HECDRO CC[NH+](CC)[C@H]1CCN(CC(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)C1 ZINC000743867061 1077153292 /nfs/dbraw/zinc/15/32/92/1077153292.db2.gz JYUSNQNKDRZKGX-NSHGMRRFSA-N 1 0 420.573 2.472 20 10 HECDRO C[C@@H]1CN(c2ccc(CNC(=O)CN3CC[N@H+](C)CC3(C)C)cc2F)C[C@@H](C)O1 ZINC000766999840 1079599634 /nfs/dbraw/zinc/59/96/34/1079599634.db2.gz XWSSAELPYLUMMC-IAGOWNOFSA-N 1 0 406.546 2.082 20 10 HECDRO COC(=O)C(C)(C)[C@@H]1CCC[N@H+](CC(=O)N2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000772375761 1079852998 /nfs/dbraw/zinc/85/29/98/1079852998.db2.gz QYZFIZIZLWGSIG-GOSISDBHSA-N 1 0 417.550 2.255 20 10 HECDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CCC[C@@H]3CC(=O)OC)cc2F)CC1 ZINC000772601784 1080003376 /nfs/dbraw/zinc/00/33/76/1080003376.db2.gz OXWPYCXYZHUBSH-QGZVFWFLSA-N 1 0 406.502 2.205 20 10 HECDRO C[C@@H]1CN(c2ccc(CNC(=O)C[N@H+](C)CC3CCOCC3)cc2F)C[C@@H](C)O1 ZINC000767704201 1080032306 /nfs/dbraw/zinc/03/23/06/1080032306.db2.gz HUBZBOSIFGKLHM-IAGOWNOFSA-N 1 0 407.530 2.414 20 10 HECDRO CC[C@H]1CCC[C@H]1NC(=O)C(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000785526987 1080038014 /nfs/dbraw/zinc/03/80/14/1080038014.db2.gz HPHNRYPGOXHMAA-GHTZIAJQSA-N 1 0 416.566 2.018 20 10 HECDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CCC[C@@H]3c3nncn3C)cc2F)CC1 ZINC000768066938 1080303828 /nfs/dbraw/zinc/30/38/28/1080303828.db2.gz AINUQRWAVSBODL-LJQANCHMSA-N 1 0 415.517 2.143 20 10 HECDRO COC(OC)c1c(C[N@@H+]2CC[C@@H](CO)C2)ccnc1NCc1ccc(O)c(O)c1 ZINC001169990187 1080438868 /nfs/dbraw/zinc/43/88/68/1080438868.db2.gz BSBMIJHGFULJKD-OAHLLOKOSA-N 1 0 403.479 2.211 20 10 HECDRO COc1cc(Br)cc(C[N@@H+]2CCCC[C@H]2CCNS(C)(=O)=O)c1O ZINC000768437713 1080558732 /nfs/dbraw/zinc/55/87/32/1080558732.db2.gz DQGUGKYTPQXEBA-AWEZNQCLSA-N 1 0 421.357 2.457 20 10 HECDRO NS(=O)(=O)c1ccc(N2CC[NH+](Cc3cc4c(cc3O)CCCC4)CC2)cc1 ZINC000768439281 1080560867 /nfs/dbraw/zinc/56/08/67/1080560867.db2.gz JWTDBCKWAXXTJE-UHFFFAOYSA-N 1 0 401.532 2.241 20 10 HECDRO C[C@H](NC(=O)C(C)(C)C)C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768531785 1080613741 /nfs/dbraw/zinc/61/37/41/1080613741.db2.gz BPOWWWDWMQJHLE-KRWDZBQOSA-N 1 0 400.567 2.386 20 10 HECDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1cnc2sccn2c1=O ZINC000768533022 1080613751 /nfs/dbraw/zinc/61/37/51/1080613751.db2.gz LCTOLSWXBWCYEY-UHFFFAOYSA-N 1 0 423.542 2.218 20 10 HECDRO Cn1cc(S(=O)(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)nc1Cl ZINC000768575649 1080641648 /nfs/dbraw/zinc/64/16/48/1080641648.db2.gz MUAGVKRFWDPHDI-UHFFFAOYSA-N 1 0 423.970 2.084 20 10 HECDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000768713529 1080729680 /nfs/dbraw/zinc/72/96/80/1080729680.db2.gz LIZSDSUEAHQIMI-UHFFFAOYSA-N 1 0 412.538 2.032 20 10 HECDRO CC(C)(C)NC(=O)CCNC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768725303 1080754624 /nfs/dbraw/zinc/75/46/24/1080754624.db2.gz MKYTYGWNYSKNEJ-UHFFFAOYSA-N 1 0 415.582 2.323 20 10 HECDRO C[C@H](CO[C@H]1CCOC1)NC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768742994 1080767129 /nfs/dbraw/zinc/76/71/29/1080767129.db2.gz ONRTUMUMXWJAPD-GCJKJVERSA-N 1 0 416.566 2.212 20 10 HECDRO CN(C)c1ncc(NC(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)cn1 ZINC000768906009 1080836852 /nfs/dbraw/zinc/83/68/52/1080836852.db2.gz IUUVNRRJMKQFHN-UHFFFAOYSA-N 1 0 409.538 2.396 20 10 HECDRO NC(=O)COc1cccc(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)c1 ZINC000768910866 1080850946 /nfs/dbraw/zinc/85/09/46/1080850946.db2.gz APUICEIBMSKWQK-QGZVFWFLSA-N 1 0 417.893 2.304 20 10 HECDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC000768912669 1080851322 /nfs/dbraw/zinc/85/13/22/1080851322.db2.gz AXJWWGSNSPNIKR-JOCHJYFZSA-N 1 0 424.589 2.483 20 10 HECDRO CCOc1ccc(C[N@H+](C)CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(O)c1 ZINC000768991986 1080878564 /nfs/dbraw/zinc/87/85/64/1080878564.db2.gz NSIHVOZYADFFLR-UHFFFAOYSA-N 1 0 407.511 2.302 20 10 HECDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)N1CCN(CC(F)F)CC1 ZINC000769035469 1080891206 /nfs/dbraw/zinc/89/12/06/1080891206.db2.gz ISEISTVKCIPOMR-UHFFFAOYSA-N 1 0 421.536 2.311 20 10 HECDRO CNC(=O)[C@H](CC(C)C)NC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000769045097 1080893531 /nfs/dbraw/zinc/89/35/31/1080893531.db2.gz HWLOIYKYNHCKTB-NRFANRHFSA-N 1 0 415.582 2.179 20 10 HECDRO C[C@H](NC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)C(=O)NC(C)(C)C ZINC000769045970 1080893927 /nfs/dbraw/zinc/89/39/27/1080893927.db2.gz KNALXSJNCVVUFG-KRWDZBQOSA-N 1 0 415.582 2.321 20 10 HECDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)N1CCCC2(C1)OCCO2 ZINC000769049620 1080894535 /nfs/dbraw/zinc/89/45/35/1080894535.db2.gz ZGKYOSWOZPTAJP-UHFFFAOYSA-N 1 0 414.550 2.267 20 10 HECDRO COc1ccc(N2CC[NH+](CCCNC(=O)N(C)CCCn3ccnc3)CC2)cc1 ZINC000769018232 1080899550 /nfs/dbraw/zinc/89/95/50/1080899550.db2.gz XGGWLNVSZCFPHK-UHFFFAOYSA-N 1 0 414.554 2.136 20 10 HECDRO NC(=O)C[C@H]1CCCN(C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)C1 ZINC000769055640 1080914026 /nfs/dbraw/zinc/91/40/26/1080914026.db2.gz CXYAWCLSRKKTCZ-HXUWFJFHSA-N 1 0 413.566 2.016 20 10 HECDRO CCc1nnc([C@H](C)NC(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)[nH]1 ZINC000769058619 1080914891 /nfs/dbraw/zinc/91/48/91/1080914891.db2.gz YLROKMQZBANUOY-INIZCTEOSA-N 1 0 411.554 2.460 20 10 HECDRO C[C@@H](NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000787063960 1080975576 /nfs/dbraw/zinc/97/55/76/1080975576.db2.gz IROHRQXTWLGBLQ-RTBURBONSA-N 1 0 416.566 2.479 20 10 HECDRO C[NH+](C)CC1(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CCCCC1 ZINC000787086043 1080990913 /nfs/dbraw/zinc/99/09/13/1080990913.db2.gz FKJMOVWLFBZHHY-UHFFFAOYSA-N 1 0 407.580 2.050 20 10 HECDRO CC[NH+]1CCC(CCNC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CC1 ZINC000745691761 1078587803 /nfs/dbraw/zinc/58/78/03/1078587803.db2.gz NEFVFHBXGCBPMQ-HXUWFJFHSA-N 1 0 415.582 2.310 20 10 HECDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C1 ZINC000745690319 1078601361 /nfs/dbraw/zinc/60/13/61/1078601361.db2.gz ASPGZCWXAFGXIQ-WOJBJXKFSA-N 1 0 415.582 2.262 20 10 HECDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C1 ZINC000745690315 1078601465 /nfs/dbraw/zinc/60/14/65/1078601465.db2.gz ASPGZCWXAFGXIQ-PMACEKPBSA-N 1 0 415.582 2.262 20 10 HECDRO CC[NH+]1CCN(c2cccc(NS(=O)(=O)c3ccc4c(c3)oc(=O)n4C)c2)CC1 ZINC000769847462 1078606194 /nfs/dbraw/zinc/60/61/94/1078606194.db2.gz IFPUWYRNVNMQBE-UHFFFAOYSA-N 1 0 416.503 2.074 20 10 HECDRO CC[NH+]1CCN(c2cccc(NS(=O)(=O)c3cccc4c3COC4=O)c2)CC1 ZINC000769848312 1078608193 /nfs/dbraw/zinc/60/81/93/1078608193.db2.gz NPWGXKAKXFEPRY-UHFFFAOYSA-N 1 0 401.488 2.300 20 10 HECDRO CC[NH+]1CCN(c2cccc(NS(=O)(=O)c3ccc4c(c3)C(=O)OC4)c2)CC1 ZINC000769848902 1078609213 /nfs/dbraw/zinc/60/92/13/1078609213.db2.gz QZVPIPGIKTVBBV-UHFFFAOYSA-N 1 0 401.488 2.300 20 10 HECDRO C[NH+]1CCC(O)(CNC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1 ZINC000745904420 1078690901 /nfs/dbraw/zinc/69/09/01/1078690901.db2.gz PZADHLFTHUSGPO-HNNXBMFYSA-N 1 0 412.481 2.013 20 10 HECDRO Cc1cc(CCNC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)c(C)n1-c1ccccc1 ZINC000746353193 1078870646 /nfs/dbraw/zinc/87/06/46/1078870646.db2.gz DXBVJTKMGUKAMU-UHFFFAOYSA-N 1 0 422.533 2.150 20 10 HECDRO C[C@@H]1CN(c2ccc(CNC(=O)CN(C)CC[N@H+](C)C3CC3)cc2F)C[C@H](C)O1 ZINC000770686254 1078934485 /nfs/dbraw/zinc/93/44/85/1078934485.db2.gz XBCVKRADALMOIU-CALCHBBNSA-N 1 0 406.546 2.082 20 10 HECDRO CC(C)(C)OC(=O)N1C[C@@H]([NH2+]Cc2ccccc2O)C[C@H]1C(=O)N1CCSC1 ZINC001170018197 1079030356 /nfs/dbraw/zinc/03/03/56/1079030356.db2.gz GNPPDCWURNTGGF-HOTGVXAUSA-N 1 0 407.536 2.393 20 10 HECDRO Cc1nc(C)c(CC(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)c(=O)[nH]1 ZINC000771054588 1079115111 /nfs/dbraw/zinc/11/51/11/1079115111.db2.gz AHAVPYKXTNSMKV-INIZCTEOSA-N 1 0 404.898 2.481 20 10 HECDRO COc1ccc(N2CCN(CCC[NH2+]C3CCC(S(C)(=O)=O)CC3)CC2)cc1 ZINC001169852176 1079447185 /nfs/dbraw/zinc/44/71/85/1079447185.db2.gz RJBLWBKNFQZDFN-UHFFFAOYSA-N 1 0 409.596 2.153 20 10 HECDRO CC[N@@H+]1C[C@H](C)N(CC(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)C[C@@H]1C ZINC000766252512 1076162618 /nfs/dbraw/zinc/16/26/18/1076162618.db2.gz GWWJJWYFSVPKTD-CADBVGFASA-N 1 0 420.573 2.470 20 10 HECDRO CC[NH+]1CCC(N(C)CC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)CC1 ZINC000740874521 1076277308 /nfs/dbraw/zinc/27/73/08/1076277308.db2.gz MBLAGOHTVLATLS-QZTJIDSGSA-N 1 0 420.573 2.472 20 10 HECDRO COc1ccc(N2CCCN(C(=O)CC[NH+]3CCN(c4ccccn4)CC3)CC2)cc1 ZINC000741145813 1076391853 /nfs/dbraw/zinc/39/18/53/1076391853.db2.gz NBZBVMMMPRDTMI-UHFFFAOYSA-N 1 0 423.561 2.341 20 10 HECDRO C[C@H]1CN(c2ccc(CNC(=O)C[N@H+](CCCCO)C3CC3)cc2F)C[C@H](C)O1 ZINC000741250140 1076420238 /nfs/dbraw/zinc/42/02/38/1076420238.db2.gz INFRYKLSGMEMTE-IRXDYDNUSA-N 1 0 407.530 2.292 20 10 HECDRO C[C@@H]1CN(c2ccc(CNC(=O)CN(C)C[C@H]3CCC[N@H+](C)C3)cc2F)C[C@H](C)O1 ZINC000741249156 1076436407 /nfs/dbraw/zinc/43/64/07/1076436407.db2.gz CPQQKQPAPGORCA-NSHGMRRFSA-N 1 0 420.573 2.329 20 10 HECDRO COc1ccc(N2CC[NH+](CCCNC(=O)NC[C@@H](O)c3ccc(C)o3)CC2)cc1 ZINC000741401795 1076511051 /nfs/dbraw/zinc/51/10/51/1076511051.db2.gz FNPPWTRNTVLBFU-HXUWFJFHSA-N 1 0 416.522 2.142 20 10 HECDRO CN(C)c1ccc(CNC(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1F ZINC000741406553 1076512449 /nfs/dbraw/zinc/51/24/49/1076512449.db2.gz JOKWEKUOXOZZEE-JOCHJYFZSA-N 1 0 400.498 2.328 20 10 HECDRO C[NH+](C)C1(CNC(=O)NCc2ccc(N3CCOCC3)cc2)Cc2ccccc2C1 ZINC000743559526 1077069415 /nfs/dbraw/zinc/06/94/15/1077069415.db2.gz JGIAWOWADSKICZ-UHFFFAOYSA-N 1 0 408.546 2.422 20 10 HECDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000743594389 1077077389 /nfs/dbraw/zinc/07/73/89/1077077389.db2.gz ULIAIDZEEBEBGN-KVSKMBFKSA-N 1 0 424.492 2.419 20 10 HECDRO O=C(CN1CC[C@H](C[NH+]2CCCCC2)C1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000743851760 1077142937 /nfs/dbraw/zinc/14/29/37/1077142937.db2.gz LXYDDDCZDSOWRA-HXUWFJFHSA-N 1 0 418.557 2.086 20 10 HECDRO O=C(C[NH+]1CCC(OCC2CC2)CC1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000743872989 1077156594 /nfs/dbraw/zinc/15/65/94/1077156594.db2.gz IQTGWLDEPQBFCI-UHFFFAOYSA-N 1 0 405.514 2.170 20 10 HECDRO CN(C)c1ccc(CN(C)C(=O)C[NH+]2CCC(CN3CCCCC3=O)CC2)cc1 ZINC000744403584 1077381248 /nfs/dbraw/zinc/38/12/48/1077381248.db2.gz SBHRKIFRJVJBEV-UHFFFAOYSA-N 1 0 400.567 2.436 20 10 HECDRO CC[N@H+](C)C[C@@H]1CCN(CC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)C1 ZINC000744424076 1077386316 /nfs/dbraw/zinc/38/63/16/1077386316.db2.gz SHNKCZNCPVHHAU-BJLQDIEVSA-N 1 0 420.573 2.329 20 10 HECDRO COc1ccc(N2CCC(NC(=O)c3cccc(N4CC[NH+](C)CC4)n3)CC2)cc1 ZINC000767169808 1079704672 /nfs/dbraw/zinc/70/46/72/1079704672.db2.gz AIWYMOGTHYQXEW-UHFFFAOYSA-N 1 0 409.534 2.241 20 10 HECDRO COc1ccc(N2CC[NH+](CCCNC(=O)NC3C[C@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000767316919 1079815004 /nfs/dbraw/zinc/81/50/04/1079815004.db2.gz FSCUMHMHAPCZFU-ROUUACIJSA-N 1 0 404.555 2.463 20 10 HECDRO COc1ccc(N2CC[NH+](CCCNC(=O)N[C@@H]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000767316916 1079815036 /nfs/dbraw/zinc/81/50/36/1079815036.db2.gz FSCUMHMHAPCZFU-REPLKXPHSA-N 1 0 404.555 2.463 20 10 HECDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCCN2C(=O)CSC2=O)C1 ZINC000767666695 1080017102 /nfs/dbraw/zinc/01/71/02/1080017102.db2.gz UDHXIOQLKCHSDH-UHFFFAOYSA-N 1 0 414.531 2.219 20 10 HECDRO CC[C@H]1CCC[C@@H]1NC(=O)C(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000785526989 1080038043 /nfs/dbraw/zinc/03/80/43/1080038043.db2.gz HPHNRYPGOXHMAA-RXVVDRJESA-N 1 0 416.566 2.018 20 10 HECDRO COc1ccc(N2CC[NH+](CCCNC(=O)N[C@@H](C)Cc3cc(C)n[nH]3)CC2)cc1 ZINC000767972607 1080242682 /nfs/dbraw/zinc/24/26/82/1080242682.db2.gz ZOTWMXQYRRUMBO-KRWDZBQOSA-N 1 0 414.554 2.169 20 10 HECDRO CCN(CC)C(=O)C[N@@H+]1CCCN(Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000768252067 1080441121 /nfs/dbraw/zinc/44/11/21/1080441121.db2.gz VJMONRZTZBGNCL-UHFFFAOYSA-N 1 0 406.546 2.038 20 10 HECDRO NC(=O)c1cc([N+](=O)[O-])cnc1NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768527320 1080611220 /nfs/dbraw/zinc/61/12/20/1080611220.db2.gz HKOKXWJTUFQAQY-UHFFFAOYSA-N 1 0 410.478 2.233 20 10 HECDRO Cc1ncc(S(=O)(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)s1 ZINC000768575899 1080641736 /nfs/dbraw/zinc/64/17/36/1080641736.db2.gz PFSMCRVPDRDXJF-UHFFFAOYSA-N 1 0 406.577 2.462 20 10 HECDRO CC(C)OC(=O)CCNC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768676763 1080686627 /nfs/dbraw/zinc/68/66/27/1080686627.db2.gz FYIMXCQEPLZRHV-UHFFFAOYSA-N 1 0 402.539 2.360 20 10 HECDRO COC1(CNC(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)CCOCC1 ZINC000768742309 1080765820 /nfs/dbraw/zinc/76/58/20/1080765820.db2.gz VTYRSAWFKSLYEV-UHFFFAOYSA-N 1 0 416.566 2.213 20 10 HECDRO O=C(NCCCO[C@@H]1CCOC1)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768742247 1080765883 /nfs/dbraw/zinc/76/58/83/1080765883.db2.gz BNBQCEMUNZZTCF-JOCHJYFZSA-N 1 0 416.566 2.213 20 10 HECDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CC[C@@H](C(=O)OC)[C@@H]3C)cc2F)CC1 ZINC000786754418 1080795313 /nfs/dbraw/zinc/79/53/13/1080795313.db2.gz UJOURMDNNXTUGB-DOTOQJQBSA-N 1 0 406.502 2.061 20 10 HECDRO NC(=O)c1ccc(NC(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)cn1 ZINC000768904778 1080825212 /nfs/dbraw/zinc/82/52/12/1080825212.db2.gz ZCHYTMOHTYSDCK-UHFFFAOYSA-N 1 0 408.506 2.034 20 10 HECDRO Nc1cccc(S(=O)(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)c1 ZINC000768884874 1080832371 /nfs/dbraw/zinc/83/23/71/1080832371.db2.gz ZQHIEYPXKNOFGL-UHFFFAOYSA-N 1 0 400.548 2.279 20 10 HECDRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)NCc3sccc3C)cc2F)CC1 ZINC000786799641 1080833980 /nfs/dbraw/zinc/83/39/80/1080833980.db2.gz GZUOBBJSWNSJAH-UHFFFAOYSA-N 1 0 418.538 2.270 20 10 HECDRO NC(=O)[C@@H]1CCC[C@H](NC(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)C1 ZINC000768943424 1080845075 /nfs/dbraw/zinc/84/50/75/1080845075.db2.gz HEYRVFINFUWEHD-UXHICEINSA-N 1 0 413.566 2.062 20 10 HECDRO O=C(CNC(=O)NCc1ccco1)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000768912621 1080851330 /nfs/dbraw/zinc/85/13/30/1080851330.db2.gz PXPOBWCGIMEXKH-INIZCTEOSA-N 1 0 420.897 2.219 20 10 HECDRO CC(C)(C)OC(=O)NCC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768913695 1080852485 /nfs/dbraw/zinc/85/24/85/1080852485.db2.gz PLCDIHUJHALIGU-UHFFFAOYSA-N 1 0 402.539 2.360 20 10 HECDRO NC(=O)COc1ccc(C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)cc1 ZINC000768913015 1080853070 /nfs/dbraw/zinc/85/30/70/1080853070.db2.gz URFPPUQRMSMBTD-KRWDZBQOSA-N 1 0 417.893 2.304 20 10 HECDRO C[C@@H](OC[C@@H]1CCCO1)C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768915387 1080854796 /nfs/dbraw/zinc/85/47/96/1080854796.db2.gz LYTWKAHHGFBOJD-GCJKJVERSA-N 1 0 401.551 2.419 20 10 HECDRO C[NH+]1CCC2(CCCN2C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CC1 ZINC000768930716 1080862973 /nfs/dbraw/zinc/86/29/73/1080862973.db2.gz OUUOXYBNHOATKX-IBGZPJMESA-N 1 0 413.566 2.158 20 10 HECDRO Cc1ncc(NC(=O)C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)s1 ZINC000769021905 1080887577 /nfs/dbraw/zinc/88/75/77/1080887577.db2.gz DAXAWJZCOAZKRO-UHFFFAOYSA-N 1 0 413.547 2.238 20 10 HECDRO Cc1ccc(NC(=O)C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)cn1 ZINC000769024051 1080888302 /nfs/dbraw/zinc/88/83/02/1080888302.db2.gz RPECUMINVCGVFH-UHFFFAOYSA-N 1 0 407.518 2.177 20 10 HECDRO CS(=O)(=O)C1(C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)CCCC1 ZINC000769163975 1080980620 /nfs/dbraw/zinc/98/06/20/1080980620.db2.gz HIDHVARNRYPFEE-UHFFFAOYSA-N 1 0 419.591 2.192 20 10 HECDRO CC[NH+](CC)CC(=O)N1CCN(Cc2cc(Br)cc(OC)c2O)CC1 ZINC000769317714 1081040585 /nfs/dbraw/zinc/04/05/85/1081040585.db2.gz WAGMEPOYIZOBSF-UHFFFAOYSA-N 1 0 414.344 2.149 20 10 HECDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)OCC(=O)N2CCO[C@H](C)C2)C1 ZINC000769665146 1078503778 /nfs/dbraw/zinc/50/37/78/1078503778.db2.gz QLHFXSJHTMJMAG-QGZVFWFLSA-N 1 0 413.518 2.198 20 10 HECDRO C[NH+](C)CCN(CCc1ccccc1)C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000769706410 1078529021 /nfs/dbraw/zinc/52/90/21/1078529021.db2.gz RTPLHZYQNHGHOM-UHFFFAOYSA-N 1 0 405.520 2.010 20 10 HECDRO COc1ccc(N2CCN(C[C@@H](O)C[N@@H+]3CC[C@H](CC(F)(F)F)C3)CC2)cc1 ZINC000769867524 1078588072 /nfs/dbraw/zinc/58/80/72/1078588072.db2.gz XZMMFGCFZFSHGH-SJLPKXTDSA-N 1 0 401.473 2.452 20 10 HECDRO CC[NH+](CC)[C@H]1CCN(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C1 ZINC000745690508 1078601407 /nfs/dbraw/zinc/60/14/07/1078601407.db2.gz CHUIPSFUZRZTAH-QUCCMNQESA-N 1 0 401.555 2.014 20 10 HECDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000745784705 1078642949 /nfs/dbraw/zinc/64/29/49/1078642949.db2.gz YVAPRFOXQOQAFA-FQEVSTJZSA-N 1 0 417.598 2.191 20 10 HECDRO CO[C@@H](C)c1noc(CN2CCC[N@H+](Cc3ccc(N4CCOCC4)cc3)CC2)n1 ZINC000770283793 1078807153 /nfs/dbraw/zinc/80/71/53/1078807153.db2.gz YCFJRAFBEZOCIO-SFHVURJKSA-N 1 0 415.538 2.322 20 10 HECDRO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](CC(=O)NCc3ccc(N(C)C)cc3)C2)nc1 ZINC000746457026 1078996070 /nfs/dbraw/zinc/99/60/70/1078996070.db2.gz ICIQBVOFIQPQOY-IBGZPJMESA-N 1 0 409.534 2.423 20 10 HECDRO O=C(NCCCSc1nccs1)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000804278257 1079003177 /nfs/dbraw/zinc/00/31/77/1079003177.db2.gz RXVRVQJZPYQJJU-KRWDZBQOSA-N 1 0 418.588 2.380 20 10 HECDRO Cc1cc(C)c(C[NH2+][C@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)c(O)c1 ZINC001169185338 1079177045 /nfs/dbraw/zinc/17/70/45/1079177045.db2.gz YACVYJWZSDTBEQ-MRXNPFEDSA-N 1 0 413.522 2.105 20 10 HECDRO COc1ccc(N2CC[NH+](CCCNC(=O)N3CCOC4(CCC4)C3)CC2)cc1 ZINC000766241197 1076093976 /nfs/dbraw/zinc/09/39/76/1076093976.db2.gz COKMLVRWGWIZHA-UHFFFAOYSA-N 1 0 402.539 2.172 20 10 HECDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CCO[C@H](C(F)(F)F)C3)cc2F)CC1 ZINC000740477914 1076185968 /nfs/dbraw/zinc/18/59/68/1076185968.db2.gz GMLCTZAEEPAASG-KRWDZBQOSA-N 1 0 418.435 2.440 20 10 HECDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3nc(C)ncc3Cl)CC2)cc1 ZINC000740739480 1076222440 /nfs/dbraw/zinc/22/24/40/1076222440.db2.gz DKTANRUCAWNJFD-UHFFFAOYSA-N 1 0 403.914 2.389 20 10 HECDRO CC[NH+]1CCC(N(C)CC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)CC1 ZINC000740874522 1076277362 /nfs/dbraw/zinc/27/73/62/1076277362.db2.gz MBLAGOHTVLATLS-ROUUACIJSA-N 1 0 420.573 2.472 20 10 HECDRO C[C@@H]1CN(c2ccc(CNC(=O)CN(C)C[C@H]3CCC[N@H+](C)C3)cc2F)C[C@@H](C)O1 ZINC000741248822 1076436055 /nfs/dbraw/zinc/43/60/55/1076436055.db2.gz CPQQKQPAPGORCA-GGPKGHCWSA-N 1 0 420.573 2.329 20 10 HECDRO O=C(C[N@@H+]1CCCC2(CCOCC2)C1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000741802836 1076642510 /nfs/dbraw/zinc/64/25/10/1076642510.db2.gz UJDZCVWBPUESDL-UHFFFAOYSA-N 1 0 405.514 2.171 20 10 HECDRO COC(=O)[C@H]1CCC[C@@H](C(=O)NCCC[NH+]2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000742241670 1076804290 /nfs/dbraw/zinc/80/42/90/1076804290.db2.gz TVFSPSZNBAMESZ-MOPGFXCFSA-N 1 0 417.550 2.303 20 10 HECDRO COc1ccc(N2CCN(CCNC(=O)N(CC[NH+](C)C)CC(C)C)CC2)cc1 ZINC000743359886 1077031560 /nfs/dbraw/zinc/03/15/60/1077031560.db2.gz YXGQZFRQVBIWRS-UHFFFAOYSA-N 1 0 405.587 2.046 20 10 HECDRO COc1ccc(N2CCN(CCNC(=O)NC[C@H](C)[N@@H+]3CCCC[C@H]3C)CC2)cc1 ZINC000743362685 1077032373 /nfs/dbraw/zinc/03/23/73/1077032373.db2.gz HUIHYIXHYGLJRZ-UXHICEINSA-N 1 0 417.598 2.379 20 10 HECDRO COc1ccc(N2CCN(CCNC(=O)NCC3([NH+](C)C)CCCCC3)CC2)cc1 ZINC000743362585 1077032566 /nfs/dbraw/zinc/03/25/66/1077032566.db2.gz FVMDFZPAWKTQCD-UHFFFAOYSA-N 1 0 417.598 2.381 20 10 HECDRO COc1ccc(N2CCN(CCNC(=O)N[C@@H](CC(C)C)C[NH+](C)C)CC2)cc1 ZINC000743363282 1077033229 /nfs/dbraw/zinc/03/32/29/1077033229.db2.gz QNJPPEAOXCJMCD-IBGZPJMESA-N 1 0 405.587 2.093 20 10 HECDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000743594386 1077077534 /nfs/dbraw/zinc/07/75/34/1077077534.db2.gz ULIAIDZEEBEBGN-HHXXYDBFSA-N 1 0 424.492 2.419 20 10 HECDRO CC[N@H+](Cc1cc(Br)ccc1O)[C@@H](C)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000743874198 1077157802 /nfs/dbraw/zinc/15/78/02/1077157802.db2.gz VXLKBWXZWXGUSS-STQMWFEESA-N 1 0 412.328 2.089 20 10 HECDRO CC[N@H+](CC(=O)N1CCC[C@@H](NC(C)=O)C1)Cc1cc(Br)ccc1O ZINC000744425716 1077388834 /nfs/dbraw/zinc/38/88/34/1077388834.db2.gz KXLPDALEKKSJMH-MRXNPFEDSA-N 1 0 412.328 2.104 20 10 HECDRO COc1ccc(N2CC[NH+](CCCNC(=O)N3CCC[C@@H](CCO)C3)CC2)cc1 ZINC000745349428 1077811614 /nfs/dbraw/zinc/81/16/14/1077811614.db2.gz HUPFTXQINJVTOW-IBGZPJMESA-N 1 0 404.555 2.011 20 10 HECDRO CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000766330093 1077812573 /nfs/dbraw/zinc/81/25/73/1077812573.db2.gz RVFLNTMFOOJOOC-MOPGFXCFSA-N 1 0 423.579 2.457 20 10 HECDRO COCCC[NH+]1CCC(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)CC1 ZINC000804352472 1079832916 /nfs/dbraw/zinc/83/29/16/1079832916.db2.gz UBNNNYZDLJOMPQ-UHFFFAOYSA-N 1 0 418.582 2.107 20 10 HECDRO COCc1cc(NC(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)ncn1 ZINC000772373738 1079852390 /nfs/dbraw/zinc/85/23/90/1079852390.db2.gz CRVALDBPQZLWBL-UHFFFAOYSA-N 1 0 410.522 2.477 20 10 HECDRO C[C@H]1CN(c2ccc(CNC(=O)C[N@H+](C)CC3CCOCC3)cc2F)C[C@H](C)O1 ZINC000767704202 1080032252 /nfs/dbraw/zinc/03/22/52/1080032252.db2.gz HUBZBOSIFGKLHM-IRXDYDNUSA-N 1 0 407.530 2.414 20 10 HECDRO CCOC1CC(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)(N2CCOCC2)C1 ZINC000767736186 1080058262 /nfs/dbraw/zinc/05/82/62/1080058262.db2.gz NULDMSIYVNVWLH-UHFFFAOYSA-N 1 0 407.530 2.022 20 10 HECDRO CN(C)c1ccc(CNC(=O)C(=O)NCc2ccccc2C[NH+]2CCCC2)cc1F ZINC000785579053 1080084286 /nfs/dbraw/zinc/08/42/86/1080084286.db2.gz FDIZEYLZJHPGAW-UHFFFAOYSA-N 1 0 412.509 2.420 20 10 HECDRO CCOCCCNC(=O)C1CC[NH+](Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000768320716 1080483755 /nfs/dbraw/zinc/48/37/55/1080483755.db2.gz ZSCMLPUPXNTREN-UHFFFAOYSA-N 1 0 407.530 2.417 20 10 HECDRO O=C(CCOC[C@H]1CCCO1)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768912476 1080851421 /nfs/dbraw/zinc/85/14/21/1080851421.db2.gz ZNKORIAINZBLHP-JOCHJYFZSA-N 1 0 401.551 2.421 20 10 HECDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1ccc2c(c1)NC(=O)CO2 ZINC000768913710 1080852574 /nfs/dbraw/zinc/85/25/74/1080852574.db2.gz QKTCTUIKDHBTDC-UHFFFAOYSA-N 1 0 420.513 2.480 20 10 HECDRO C[C@H](C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)N1CCSCC1 ZINC000768914914 1080855285 /nfs/dbraw/zinc/85/52/85/1080855285.db2.gz KDKYIEKJFPGFMO-GOSISDBHSA-N 1 0 402.608 2.272 20 10 HECDRO O=C(NCc1ccc(N2CCCC2)cc1)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000787143389 1081027351 /nfs/dbraw/zinc/02/73/51/1081027351.db2.gz KBFUZZJDPSMBBQ-UHFFFAOYSA-N 1 0 421.545 2.079 20 10 HECDRO COc1ccc(N2CCN(CCNC(=O)C3(C[NH+](C)C)CCCCC3)CC2)cc1 ZINC000787244443 1081067732 /nfs/dbraw/zinc/06/77/32/1081067732.db2.gz AHNWHQVXIHMQAZ-UHFFFAOYSA-N 1 0 402.583 2.446 20 10 HECDRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000769732910 1078520369 /nfs/dbraw/zinc/52/03/69/1078520369.db2.gz SONJLRYFJMILKY-UHFFFAOYSA-N 1 0 409.483 2.107 20 10 HECDRO COc1ccc(N2CCN(C[C@@H](O)C[N@@H+]3CC[C@@H](CC(F)(F)F)C3)CC2)cc1 ZINC000769867523 1078588049 /nfs/dbraw/zinc/58/80/49/1078588049.db2.gz XZMMFGCFZFSHGH-FUHWJXTLSA-N 1 0 401.473 2.452 20 10 HECDRO CC[NH+](CC)[C@@H]1CCN(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C1 ZINC000745690506 1078601373 /nfs/dbraw/zinc/60/13/73/1078601373.db2.gz CHUIPSFUZRZTAH-AZUAARDMSA-N 1 0 401.555 2.014 20 10 HECDRO COCC[C@@]1(NC(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)CCOC1 ZINC000770766246 1078985421 /nfs/dbraw/zinc/98/54/21/1078985421.db2.gz KDFSXJPEFBWLID-HSZRJFAPSA-N 1 0 416.566 2.213 20 10 HECDRO COc1ccc(N2CC[NH+](CCCNC(=O)NC[C@@H]3CCO[C@@H](C)C3)CC2)cc1 ZINC000770826563 1079033559 /nfs/dbraw/zinc/03/35/59/1079033559.db2.gz JGFINJDULNROKC-RBUKOAKNSA-N 1 0 404.555 2.322 20 10 HECDRO Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000771063985 1079122643 /nfs/dbraw/zinc/12/26/43/1079122643.db2.gz GJQIDOZZOCKCRE-HNNXBMFYSA-N 1 0 420.897 2.269 20 10 HECDRO COCCn1cc(C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)ccc1=O ZINC000771065582 1079123343 /nfs/dbraw/zinc/12/33/43/1079123343.db2.gz NRUWQZAYSVQJTA-SFHVURJKSA-N 1 0 419.909 2.248 20 10 HECDRO COc1ccc(N2CCC(NC(=O)C(=O)NCC[C@H](C)[NH+]3CCCCC3)CC2)cc1 ZINC000804319070 1079241705 /nfs/dbraw/zinc/24/17/05/1079241705.db2.gz XJTDSHVIFGQNHA-SFHVURJKSA-N 1 0 416.566 2.161 20 10 HECDRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC2CCN(c3ccc(OC)cc3)CC2)C[C@H]1C ZINC000804318353 1079264472 /nfs/dbraw/zinc/26/44/72/1079264472.db2.gz IIZCRMRXSGUHKB-XLIONFOSSA-N 1 0 416.566 2.111 20 10 HECDRO CC[NH+]1CCN(c2ccc(CNC(=O)N[C@H]3CCO[C@@]4(CCOC4)C3)cc2F)CC1 ZINC000771435747 1079342578 /nfs/dbraw/zinc/34/25/78/1079342578.db2.gz XYWWWMIUGOUWPA-AVRDEDQJSA-N 1 0 420.529 2.105 20 10 HECDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CCO[C@@H](C(F)(F)F)C3)cc2F)CC1 ZINC000740477915 1076186029 /nfs/dbraw/zinc/18/60/29/1076186029.db2.gz GMLCTZAEEPAASG-QGZVFWFLSA-N 1 0 418.435 2.440 20 10 HECDRO CC(=O)N1CCC([NH2+][C@@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)CC1 ZINC000742204683 1076791205 /nfs/dbraw/zinc/79/12/05/1076791205.db2.gz PKEQTOSFUKLIFN-AWEZNQCLSA-N 1 0 419.481 2.390 20 10 HECDRO O=C(CC[NH+]1CCN(c2ccccc2)CC1)NCc1ccc(N2CCOCC2)cc1 ZINC000742247101 1076805976 /nfs/dbraw/zinc/80/59/76/1076805976.db2.gz ORQSGKBULBQDNI-UHFFFAOYSA-N 1 0 408.546 2.352 20 10 HECDRO COc1ccc(N2CCN(CCNC(=O)NCC[NH+](C(C)C)C(C)C)CC2)cc1 ZINC000743363977 1077033113 /nfs/dbraw/zinc/03/31/13/1077033113.db2.gz ZFZCTKPYDNGCOS-UHFFFAOYSA-N 1 0 405.587 2.235 20 10 HECDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000743806627 1077126571 /nfs/dbraw/zinc/12/65/71/1077126571.db2.gz MYDYBDGJBZWYOD-KRWDZBQOSA-N 1 0 417.531 2.358 20 10 HECDRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)Nc3cc(C(C)C)on3)cc2F)CC1 ZINC000743905581 1077218128 /nfs/dbraw/zinc/21/81/28/1077218128.db2.gz AHPFTYWLJATCMA-UHFFFAOYSA-N 1 0 417.485 2.334 20 10 HECDRO C[NH+]1CCN(c2ccccc2NC(=O)C(=O)NCc2c(O)ccc3c2CCCC3)CC1 ZINC000743958492 1077265971 /nfs/dbraw/zinc/26/59/71/1077265971.db2.gz ZWUOVDLGGJHXLD-UHFFFAOYSA-N 1 0 422.529 2.278 20 10 HECDRO C[C@H](c1ccccc1)[C@@H](CO)[NH2+]CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000766979233 1079575514 /nfs/dbraw/zinc/57/55/14/1079575514.db2.gz GMQQAXOSNMFTCP-DYESRHJHSA-N 1 0 415.509 2.033 20 10 HECDRO O=S1(=O)CCN(c2ccc(C[NH2+]Cc3cncc(Br)c3)cc2)CC1 ZINC000767180952 1079738185 /nfs/dbraw/zinc/73/81/85/1079738185.db2.gz FIIVKAVVXDSZTQ-UHFFFAOYSA-N 1 0 410.337 2.369 20 10 HECDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)c3cc(S(N)(=O)=O)ccc3F)c2)CC1 ZINC000767382760 1079839802 /nfs/dbraw/zinc/83/98/02/1079839802.db2.gz HPYHZDYDOMPFLF-UHFFFAOYSA-N 1 0 420.510 2.256 20 10 HECDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)c3cccc(CS(N)(=O)=O)c3)c2)CC1 ZINC000767383723 1079839873 /nfs/dbraw/zinc/83/98/73/1079839873.db2.gz QFZQDRMJABXBCW-UHFFFAOYSA-N 1 0 416.547 2.258 20 10 HECDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)c3ccc(F)c(S(N)(=O)=O)c3)c2)CC1 ZINC000767383350 1079840308 /nfs/dbraw/zinc/84/03/08/1079840308.db2.gz MCNVOERKTMGJKM-UHFFFAOYSA-N 1 0 420.510 2.256 20 10 HECDRO Cc1cc2ncc([C@@H](C)[NH2+]Cc3ccc(N4CCS(=O)(=O)CC4)cc3)c(C)n2n1 ZINC000772456015 1079862782 /nfs/dbraw/zinc/86/27/82/1079862782.db2.gz PTJXPALYOBOPRN-MRXNPFEDSA-N 1 0 413.547 2.432 20 10 HECDRO O=C(NCc1ccc(N2CCSCC2)cc1)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000767938341 1080232206 /nfs/dbraw/zinc/23/22/06/1080232206.db2.gz WYRCRBNMLMOHGW-RTWAWAEBSA-N 1 0 418.607 2.417 20 10 HECDRO O=C(NCc1ccc(N2CCOCC2)cc1)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000767939044 1080232869 /nfs/dbraw/zinc/23/28/69/1080232869.db2.gz QBGVYSZNSNDYSV-FCHUYYIVSA-N 1 0 416.566 2.090 20 10 HECDRO Cc1ccccc1[C@H]([C@H](C)NC(=O)c1cc(NS(C)(=O)=O)ccc1O)[NH+](C)C ZINC000785857960 1080284901 /nfs/dbraw/zinc/28/49/01/1080284901.db2.gz PCKLUTUVPKFALI-LIRRHRJNSA-N 1 0 405.520 2.493 20 10 HECDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)c1O ZINC000768234045 1080434512 /nfs/dbraw/zinc/43/45/12/1080434512.db2.gz GKEYKNMHQFZFOZ-ZDUSSCGKSA-N 1 0 413.312 2.234 20 10 HECDRO O=C(NCCCN1CCCC1=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768272450 1080454366 /nfs/dbraw/zinc/45/43/66/1080454366.db2.gz PEYMDFPUHIAQJA-UHFFFAOYSA-N 1 0 413.566 2.030 20 10 HECDRO O=C(Cc1cccc(F)c1)N1CCC[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000768462739 1080583737 /nfs/dbraw/zinc/58/37/37/1080583737.db2.gz CPJGBOBDXBLZQN-HXUWFJFHSA-N 1 0 400.450 2.234 20 10 HECDRO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)O[C@@H](C)CN(C)S(C)(=O)=O)C1 ZINC000786607187 1080705546 /nfs/dbraw/zinc/70/55/46/1080705546.db2.gz QXKGTIDEQCEJCR-INIZCTEOSA-N 1 0 421.563 2.231 20 10 HECDRO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000768712180 1080728989 /nfs/dbraw/zinc/72/89/89/1080728989.db2.gz AASRIBGBTPCEQY-IBGZPJMESA-N 1 0 421.457 2.119 20 10 HECDRO C[C@H](CN1CCCC1=O)NC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768733559 1080760573 /nfs/dbraw/zinc/76/05/73/1080760573.db2.gz WUKHRQGMOVLFOJ-GOSISDBHSA-N 1 0 413.566 2.029 20 10 HECDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CC[C@H](C(=O)OC)[C@@H]3C)cc2F)CC1 ZINC000786754429 1080795264 /nfs/dbraw/zinc/79/52/64/1080795264.db2.gz UJOURMDNNXTUGB-RDJZCZTQSA-N 1 0 406.502 2.061 20 10 HECDRO NC(=O)c1ccc(CNC(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)cc1 ZINC000768927597 1080862355 /nfs/dbraw/zinc/86/23/55/1080862355.db2.gz YZAQSKMTABJREF-UHFFFAOYSA-N 1 0 421.545 2.317 20 10 HECDRO COc1ccc(NC(=O)C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)cc1 ZINC000769024573 1080887959 /nfs/dbraw/zinc/88/79/59/1080887959.db2.gz NQESZBPPKSHATK-UHFFFAOYSA-N 1 0 422.529 2.482 20 10 HECDRO NC(=O)C[C@@H]1CCCN(C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)C1 ZINC000769055638 1080914244 /nfs/dbraw/zinc/91/42/44/1080914244.db2.gz CXYAWCLSRKKTCZ-FQEVSTJZSA-N 1 0 413.566 2.016 20 10 HECDRO CC(C)(C)C(=O)NCCC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000769123131 1080944786 /nfs/dbraw/zinc/94/47/86/1080944786.db2.gz WRBKLPIAMVARCY-UHFFFAOYSA-N 1 0 400.567 2.387 20 10 HECDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000769153431 1080972811 /nfs/dbraw/zinc/97/28/11/1080972811.db2.gz IFRBNRBFBVXDAZ-FGZHOGPDSA-N 1 0 416.566 2.042 20 10 HECDRO COc1ccc(N2CCN(C(=O)NC3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)CC2)cc1F ZINC000769157513 1080975833 /nfs/dbraw/zinc/97/58/33/1080975833.db2.gz WHXJCECJFDWBOW-UXHICEINSA-N 1 0 420.529 2.044 20 10 HECDRO COc1ccc(N2CCN(C(=O)NC3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)CC2)cc1F ZINC000769157512 1080975948 /nfs/dbraw/zinc/97/59/48/1080975948.db2.gz WHXJCECJFDWBOW-PMACEKPBSA-N 1 0 420.529 2.044 20 10 HECDRO C[C@@H]1C[C@H](N(C)C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CC[N@@H+]1C ZINC000745692040 1078587944 /nfs/dbraw/zinc/58/79/44/1078587944.db2.gz QWVJHNLQTFLZRC-IMFGXOCKSA-N 1 0 401.555 2.012 20 10 HECDRO CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000745810179 1078656300 /nfs/dbraw/zinc/65/63/00/1078656300.db2.gz YMNFTYXHMIFKSY-AWEZNQCLSA-N 1 0 413.360 2.322 20 10 HECDRO CC[NH+]1CCN(c2cccc(NC(=O)c3cccc(NS(C)(=O)=O)c3)c2)CC1 ZINC000770285406 1078807955 /nfs/dbraw/zinc/80/79/55/1078807955.db2.gz BPVFLNGXMNMPBQ-UHFFFAOYSA-N 1 0 402.520 2.452 20 10 HECDRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)[C@H](C)C1 ZINC000746317108 1078855965 /nfs/dbraw/zinc/85/59/65/1078855965.db2.gz OFJWZSCLTWCMRO-LMNJBCLMSA-N 1 0 415.582 2.260 20 10 HECDRO CC[NH+]1CCN(c2ccc(CNC(=O)NCc3ccc(OC)cn3)cc2F)CC1 ZINC000770531925 1078886143 /nfs/dbraw/zinc/88/61/43/1078886143.db2.gz CPQFZAONHVJTTL-UHFFFAOYSA-N 1 0 401.486 2.371 20 10 HECDRO Cc1occc1C(=O)NCC(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000771051909 1079114675 /nfs/dbraw/zinc/11/46/75/1079114675.db2.gz DAHJEBLSIKPBOC-INIZCTEOSA-N 1 0 405.882 2.458 20 10 HECDRO Cc1cc(O)cc(=O)n1CC(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000771064078 1079122586 /nfs/dbraw/zinc/12/25/86/1079122586.db2.gz HISLBBBABYUOAC-MRXNPFEDSA-N 1 0 405.882 2.002 20 10 HECDRO CC(C)(C)OC(=O)N1C[C@H]([NH2+]Cc2ccc(O)cc2O)C[C@H]1C(=O)N1CCSC1 ZINC001170022914 1079210026 /nfs/dbraw/zinc/21/00/26/1079210026.db2.gz SDANMPOPHOPEBL-ZBFHGGJFSA-N 1 0 423.535 2.098 20 10 HECDRO COc1ccc(N2CCC(NC(=O)C(=O)NCC(C)(C)C[NH+]3CCCC3)CC2)cc1 ZINC000804318290 1079235660 /nfs/dbraw/zinc/23/56/60/1079235660.db2.gz GWNCSJCANFQSKB-UHFFFAOYSA-N 1 0 416.566 2.018 20 10 HECDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CCO[C@@H](COC(C)C)C3)cc2F)CC1 ZINC000771319407 1079285167 /nfs/dbraw/zinc/28/51/67/1079285167.db2.gz IWZPJEOCLYNFLR-LJQANCHMSA-N 1 0 422.545 2.303 20 10 HECDRO COCCCNC(=O)[C@@H](C)N1CC[NH+](Cc2c(O)ccc3ccc(OC)cc32)CC1 ZINC000738169233 1075972584 /nfs/dbraw/zinc/97/25/84/1075972584.db2.gz GFOLJJZLYKHZPJ-QGZVFWFLSA-N 1 0 415.534 2.213 20 10 HECDRO COc1ccc(N2CCN(C(=O)CN3CCC[N@@H+](C4CCCC4)CC3)CC2)cc1 ZINC000738335034 1075983441 /nfs/dbraw/zinc/98/34/41/1075983441.db2.gz LWEHLPKYTWRFLF-UHFFFAOYSA-N 1 0 400.567 2.294 20 10 HECDRO COc1ccc(N2CC[NH+](CCCNC(=O)NCc3ccn(C(C)C)n3)CC2)cc1 ZINC000738969166 1076028043 /nfs/dbraw/zinc/02/80/43/1076028043.db2.gz KAZXVDWKPPSKOL-UHFFFAOYSA-N 1 0 414.554 2.484 20 10 HECDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3ccnc(N4CCCC4)n3)CC2)cc1 ZINC000739493518 1076063230 /nfs/dbraw/zinc/06/32/30/1076063230.db2.gz IAKFRPXKFFUEQK-UHFFFAOYSA-N 1 0 424.549 2.028 20 10 HECDRO CN(C)c1ccc(CNC(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1F ZINC000741406554 1076512406 /nfs/dbraw/zinc/51/24/06/1076512406.db2.gz JOKWEKUOXOZZEE-QFIPXVFZSA-N 1 0 400.498 2.328 20 10 HECDRO C[C@@H]1CN(c2ccc(CNC(=O)CN(C)[C@@H]3CC[N@H+](C)[C@@H](C)C3)cc2F)C[C@@H](C)O1 ZINC000741790085 1076628830 /nfs/dbraw/zinc/62/88/30/1076628830.db2.gz AZYHTTFVLTVODG-JRBPQWBISA-N 1 0 420.573 2.470 20 10 HECDRO COc1ccc(N2CC[NH+](CCNc3cc(C(F)(F)F)nc4ncnn43)CC2)cc1 ZINC000742926690 1076898361 /nfs/dbraw/zinc/89/83/61/1076898361.db2.gz NIGFVXLXPFIBPK-UHFFFAOYSA-N 1 0 421.427 2.386 20 10 HECDRO COc1ccc(N2CCN(CCNC(=O)NC[C@H](C)[N@@H+]3CCCC[C@@H]3C)CC2)cc1 ZINC000743362683 1077032214 /nfs/dbraw/zinc/03/22/14/1077032214.db2.gz HUIHYIXHYGLJRZ-PMACEKPBSA-N 1 0 417.598 2.379 20 10 HECDRO COc1ccc(N2CCN(CCNC(=O)NCC(C)(C)[NH+]3CCCCC3)CC2)cc1 ZINC000743362321 1077032360 /nfs/dbraw/zinc/03/23/60/1077032360.db2.gz ABEZFWHFKFWICL-UHFFFAOYSA-N 1 0 417.598 2.381 20 10 HECDRO COc1ccc(N2CCN(CCNC(=O)N3CCC[C@@H]([NH+]4CCCC4)C3)CC2)cc1 ZINC000743362956 1077032538 /nfs/dbraw/zinc/03/25/38/1077032538.db2.gz MKFHXANVDCLVGJ-OAQYLSRUSA-N 1 0 415.582 2.087 20 10 HECDRO COc1ccc(N2CCN(CCNC(=O)NC[C@H](C)[N@@H+]3CCC[C@@H](C)C3)CC2)cc1 ZINC000743362542 1077032606 /nfs/dbraw/zinc/03/26/06/1077032606.db2.gz FOMRLECFUSJLGN-UXHICEINSA-N 1 0 417.598 2.237 20 10 HECDRO COCCC[N@H+](C)CCNC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000743555269 1077068076 /nfs/dbraw/zinc/06/80/76/1077068076.db2.gz UOPPIZLHSAAABK-IRXDYDNUSA-N 1 0 410.534 2.207 20 10 HECDRO O=C(CN1CC[C@@H](C[NH+]2CCCCC2)C1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000743851759 1077142762 /nfs/dbraw/zinc/14/27/62/1077142762.db2.gz LXYDDDCZDSOWRA-FQEVSTJZSA-N 1 0 418.557 2.086 20 10 HECDRO C[C@@H](C[NH+]1CCOCC1)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000767173978 1079708157 /nfs/dbraw/zinc/70/81/57/1079708157.db2.gz PTNGIJWAMFPYNG-HNNXBMFYSA-N 1 0 415.456 2.127 20 10 HECDRO C[NH+]1CCN(c2cccc(C(=O)NCc3ccc(N4CCSCC4)cc3)n2)CC1 ZINC000767174573 1079708706 /nfs/dbraw/zinc/70/87/06/1079708706.db2.gz VGVZHMQMGRYGSU-UHFFFAOYSA-N 1 0 411.575 2.317 20 10 HECDRO CC[NH+]1CCN(c2ccc(CNC(=O)Nc3cc(COC)ncn3)cc2F)CC1 ZINC000772382877 1079855636 /nfs/dbraw/zinc/85/56/36/1079855636.db2.gz BAMAXXVFCRRLNP-UHFFFAOYSA-N 1 0 402.474 2.226 20 10 HECDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CCC[C@H]3CC(=O)OC)cc2F)CC1 ZINC000772601782 1080002842 /nfs/dbraw/zinc/00/28/42/1080002842.db2.gz OXWPYCXYZHUBSH-KRWDZBQOSA-N 1 0 406.502 2.205 20 10 HECDRO COc1ccc(N2CC[NH+](CCCNC(=O)C(=O)N[C@H]3CCC[C@@H](C)C3)CC2)cc1 ZINC000785526648 1080037951 /nfs/dbraw/zinc/03/79/51/1080037951.db2.gz GJAUDISZIRYMMR-MOPGFXCFSA-N 1 0 416.566 2.018 20 10 HECDRO COc1ccc(N2CC[NH+](CCCNC(=O)C(=O)N(C)C3CCCCC3)CC2)cc1 ZINC000785527148 1080038098 /nfs/dbraw/zinc/03/80/98/1080038098.db2.gz AVXHVCIQNHQNNV-UHFFFAOYSA-N 1 0 416.566 2.115 20 10 HECDRO CCOC(=O)[C@@H]1CN(C(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)CCO1 ZINC000767949249 1080238596 /nfs/dbraw/zinc/23/85/96/1080238596.db2.gz PRSPYSKLNVYNGC-NRFANRHFSA-N 1 0 413.518 2.198 20 10 HECDRO Oc1cc2c(cc1C[N@@H+]1CCCN(c3nnc(C(F)(F)F)s3)CC1)[C@H](O)CO2 ZINC000786105363 1080398776 /nfs/dbraw/zinc/39/87/76/1080398776.db2.gz HLXURSQXSSBKAR-CYBMUJFWSA-N 1 0 416.425 2.401 20 10 HECDRO CCOc1ccc(C[NH+]2CCN(Cc3cc(=O)n4ccsc4n3)CC2)c(O)c1 ZINC000768214940 1080416754 /nfs/dbraw/zinc/41/67/54/1080416754.db2.gz IXHYTSAHXSVICA-UHFFFAOYSA-N 1 0 400.504 2.178 20 10 HECDRO O=C(NCCc1cccs1)C1CC[NH+](Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000768438892 1080559771 /nfs/dbraw/zinc/55/97/71/1080559771.db2.gz ADVGFMHIPKGNOP-LJQANCHMSA-N 1 0 402.516 2.450 20 10 HECDRO Cc1occc1C(=O)NCC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768533362 1080614090 /nfs/dbraw/zinc/61/40/90/1080614090.db2.gz VUDGENPEEFFZAW-UHFFFAOYSA-N 1 0 410.518 2.166 20 10 HECDRO C[C@@H](NC(=O)c1ccoc1)C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768544069 1080645935 /nfs/dbraw/zinc/64/59/35/1080645935.db2.gz OLXDHEMPUIHOMP-QGZVFWFLSA-N 1 0 410.518 2.246 20 10 HECDRO CC[C@H](C)NC(=O)[C@@H](C)NC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768713661 1080730367 /nfs/dbraw/zinc/73/03/67/1080730367.db2.gz MOPAGKCYCSHRPG-ZWKOTPCHSA-N 1 0 415.582 2.321 20 10 HECDRO CCCN(CCC[NH+](C)C)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000786712144 1080766276 /nfs/dbraw/zinc/76/62/76/1080766276.db2.gz LLIJSSNOOKBRET-LJQANCHMSA-N 1 0 403.571 2.262 20 10 HECDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CC[C@H](C(=O)OC)[C@H]3C)cc2F)CC1 ZINC000786754434 1080795352 /nfs/dbraw/zinc/79/53/52/1080795352.db2.gz UJOURMDNNXTUGB-WBVHZDCISA-N 1 0 406.502 2.061 20 10 HECDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1ccc2c(c1)OCC(=O)N2 ZINC000768910307 1080850293 /nfs/dbraw/zinc/85/02/93/1080850293.db2.gz FCBLNVOCXNLCLZ-UHFFFAOYSA-N 1 0 420.513 2.480 20 10 HECDRO CC(C)(C)N1C[C@@H](C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)CC1=O ZINC000768913167 1080853149 /nfs/dbraw/zinc/85/31/49/1080853149.db2.gz HPYAXGCGLPYGEN-FQEVSTJZSA-N 1 0 412.578 2.482 20 10 HECDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000787003584 1080917602 /nfs/dbraw/zinc/91/76/02/1080917602.db2.gz YUTLGKAQTMVPOL-QGZVFWFLSA-N 1 0 420.529 2.057 20 10 HECDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 ZINC000769395364 1081076511 /nfs/dbraw/zinc/07/65/11/1081076511.db2.gz GOSVTNPTJZCOLP-QGZVFWFLSA-N 1 0 409.552 2.020 20 10 HECDRO C[NH+](C)CCCOc1cccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2O)c1 ZINC000769818993 1078560800 /nfs/dbraw/zinc/56/08/00/1078560800.db2.gz YJVIDWYDSRIOJX-UHFFFAOYSA-N 1 0 407.492 2.347 20 10 HECDRO C[C@@H]1C[C@@H](N(C)C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CC[N@@H+]1C ZINC000745692041 1078587820 /nfs/dbraw/zinc/58/78/20/1078587820.db2.gz QWVJHNLQTFLZRC-KPFFTGBYSA-N 1 0 401.555 2.012 20 10 HECDRO CCN1CC[NH+](C[C@H](C)CNC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)CC1 ZINC000745778542 1078638603 /nfs/dbraw/zinc/63/86/03/1078638603.db2.gz DIMPXHXVASKAHW-UXHICEINSA-N 1 0 417.598 2.157 20 10 HECDRO CCN1CC[NH+](C[C@H](C)CNC(=O)NC2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC000745795323 1078651087 /nfs/dbraw/zinc/65/10/87/1078651087.db2.gz FIUPZYLSTZBALH-LJQANCHMSA-N 1 0 417.598 2.237 20 10 HECDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000745795716 1078651209 /nfs/dbraw/zinc/65/12/09/1078651209.db2.gz JOTGNSZOIPGNNR-IBGZPJMESA-N 1 0 402.539 2.013 20 10 HECDRO COc1ccc(N2CC[NH+](CCCNC(=O)N[C@@H](CO)CC(C)(C)C)CC2)cc1 ZINC000746313134 1078849676 /nfs/dbraw/zinc/84/96/76/1078849676.db2.gz YWLQIPVZBHAPCT-GOSISDBHSA-N 1 0 406.571 2.304 20 10 HECDRO CN(C)c1ccc(CN(C)C(=O)C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000804278196 1079003129 /nfs/dbraw/zinc/00/31/29/1079003129.db2.gz QCPMGBRTQFHBHG-NRFANRHFSA-N 1 0 408.546 2.349 20 10 HECDRO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1ccc(-n2cnnn2)cc1 ZINC000771057391 1079117997 /nfs/dbraw/zinc/11/79/97/1079117997.db2.gz ITLMHMMYXBAYOI-KRWDZBQOSA-N 1 0 412.881 2.416 20 10 HECDRO Cc1cc(C)c(C[NH2+][C@@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)c(O)c1 ZINC001169185333 1079177189 /nfs/dbraw/zinc/17/71/89/1079177189.db2.gz YACVYJWZSDTBEQ-INIZCTEOSA-N 1 0 413.522 2.105 20 10 HECDRO CC[N@H+](Cc1ccccc1O)[C@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC001169210931 1079197466 /nfs/dbraw/zinc/19/74/66/1079197466.db2.gz AZUJUECBFXJGPP-MRXNPFEDSA-N 1 0 413.522 2.220 20 10 HECDRO COc1ccc(N2CCC(NC(=O)C(=O)NC[C@@H](C)[N@@H+]3CCC[C@H](C)C3)CC2)cc1 ZINC000804318274 1079235681 /nfs/dbraw/zinc/23/56/81/1079235681.db2.gz GCFHGMYNSBBOGI-ZWKOTPCHSA-N 1 0 416.566 2.017 20 10 HECDRO COc1ccc(N2CCC(NC(=O)C(=O)NC[C@H](C)C[NH+]3CCCCC3)CC2)cc1 ZINC000804317752 1079247709 /nfs/dbraw/zinc/24/77/09/1079247709.db2.gz OSQLKRZQHWIHTF-SFHVURJKSA-N 1 0 416.566 2.018 20 10 HECDRO CC[NH+]1CCN(c2cccc(NC(=O)c3cc(S(N)(=O)=O)cc(C)c3C)c2)CC1 ZINC000771634943 1079442729 /nfs/dbraw/zinc/44/27/29/1079442729.db2.gz ASZHXPXADYADET-UHFFFAOYSA-N 1 0 416.547 2.345 20 10 HECDRO COc1ccc(N2CC[NH+](CCCNC(=O)N[C@H]3CCCc4c[nH]nc43)CC2)cc1 ZINC000766845900 1079444757 /nfs/dbraw/zinc/44/47/57/1079444757.db2.gz MKVNEOWJGAKVEQ-FQEVSTJZSA-N 1 0 412.538 2.307 20 10 HECDRO CC[N@@H+]1CC[C@H](N(C)CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C[C@H]1C ZINC000740883387 1076282405 /nfs/dbraw/zinc/28/24/05/1076282405.db2.gz OFVSQODQPPOPMP-MJGOQNOKSA-N 1 0 406.546 2.083 20 10 HECDRO CCOC(=O)c1cnn2c1[nH]c(COC(=O)[C@H](C(C)C)[NH+]1CCCCC1)cc2=O ZINC000741010663 1076327608 /nfs/dbraw/zinc/32/76/08/1076327608.db2.gz JZCJZLHKBFCELS-KRWDZBQOSA-N 1 0 404.467 2.165 20 10 HECDRO COc1ccc(N2CC[NH+](CCCNC(=O)N[C@@H]3[C@H]4CCO[C@@H]4C3(C)C)CC2)cc1 ZINC000741284655 1076455416 /nfs/dbraw/zinc/45/54/16/1076455416.db2.gz XUKSRRDHHVEKDZ-NJYVYQBISA-N 1 0 416.566 2.320 20 10 HECDRO COc1ccc(N2CCN(C(=O)CN3CC[C@H](C[NH+]4CCCCC4)C3)CC2)cc1 ZINC000743851221 1077141968 /nfs/dbraw/zinc/14/19/68/1077141968.db2.gz AMDRCCSBEQKFDN-HXUWFJFHSA-N 1 0 400.567 2.152 20 10 HECDRO COc1ccc(N2CC[NH+](CCCNC(=O)NC[C@H]3CCC[C@H](O)C3)CC2)cc1 ZINC000745348031 1077810918 /nfs/dbraw/zinc/81/09/18/1077810918.db2.gz AQMWYKINHATLHG-ICSRJNTNSA-N 1 0 404.555 2.058 20 10 HECDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3cccc(-c4nc[nH]n4)c3)CC2)cc1 ZINC000767204974 1079734957 /nfs/dbraw/zinc/73/49/57/1079734957.db2.gz MIFNDTSLORNPMA-UHFFFAOYSA-N 1 0 420.517 2.422 20 10 HECDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCc2cc(=O)c(O)cn2C)C1 ZINC000768020575 1080286608 /nfs/dbraw/zinc/28/66/08/1080286608.db2.gz OTMMZMFGVVPKCN-UHFFFAOYSA-N 1 0 408.502 2.129 20 10 HECDRO COc1cc(Br)cc(C[NH+]2CCC(C(=O)N3CCOCC3)CC2)c1O ZINC000768193692 1080408425 /nfs/dbraw/zinc/40/84/25/1080408425.db2.gz JLVYJXLACNQTLC-UHFFFAOYSA-N 1 0 413.312 2.234 20 10 HECDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)C1C[C@@H]2COC[C@H](C1)C2=O ZINC000768532031 1080613758 /nfs/dbraw/zinc/61/37/58/1080613758.db2.gz GPRFSNXJIIHNKB-SEJPIABJSA-N 1 0 411.546 2.077 20 10 HECDRO Cc1sc(=O)n(CC(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)c1C ZINC000768532419 1080614084 /nfs/dbraw/zinc/61/40/84/1080614084.db2.gz FGSAKKQUZAXCPN-UHFFFAOYSA-N 1 0 414.575 2.375 20 10 HECDRO Cc1cc(C)n2nc(C(=O)NCc3ccc(N4CC[NH+](CC5CC5)CC4)cc3)nc2n1 ZINC000768533845 1080614210 /nfs/dbraw/zinc/61/42/10/1080614210.db2.gz UNCBROFSTMMCSO-UHFFFAOYSA-N 1 0 419.533 2.203 20 10 HECDRO CC(C)n1cc(S(=O)(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)cn1 ZINC000768575991 1080641781 /nfs/dbraw/zinc/64/17/81/1080641781.db2.gz RICUDGDOTMJDRN-UHFFFAOYSA-N 1 0 417.579 2.475 20 10 HECDRO O=C(NCCCO[C@H]1CCOC1)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768742255 1080765788 /nfs/dbraw/zinc/76/57/88/1080765788.db2.gz BNBQCEMUNZZTCF-QFIPXVFZSA-N 1 0 416.566 2.213 20 10 HECDRO COC(=O)[C@H]1CCN(C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)[C@@H]1C ZINC000786802625 1080835547 /nfs/dbraw/zinc/83/55/47/1080835547.db2.gz YMKILCHUAZIOEH-UTKZUKDTSA-N 1 0 414.550 2.312 20 10 HECDRO O=C(CCn1cc([N+](=O)[O-])cn1)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000768913767 1080853659 /nfs/dbraw/zinc/85/36/59/1080853659.db2.gz AOGGRIJUPGLADA-HNNXBMFYSA-N 1 0 407.858 2.321 20 10 HECDRO NC(=O)c1ccc(OCC(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)cc1 ZINC000768914554 1080854211 /nfs/dbraw/zinc/85/42/11/1080854211.db2.gz YSERWWVUVLPEJA-UHFFFAOYSA-N 1 0 422.529 2.013 20 10 HECDRO COc1ccc(N2CCN(C(=O)COC(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)CC2)cc1 ZINC000786884433 1080885676 /nfs/dbraw/zinc/88/56/76/1080885676.db2.gz PPXGVSAUGGJPGQ-NRFANRHFSA-N 1 0 415.534 2.294 20 10 HECDRO CCCn1cc(NC(=O)C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)cn1 ZINC000769022839 1080887521 /nfs/dbraw/zinc/88/75/21/1080887521.db2.gz GPBLGNLSXHHHGA-UHFFFAOYSA-N 1 0 424.549 2.080 20 10 HECDRO Cc1ccc(NC(=O)C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)c(C)n1 ZINC000769024601 1080887856 /nfs/dbraw/zinc/88/78/56/1080887856.db2.gz OBHGJHPYEXRRFQ-UHFFFAOYSA-N 1 0 421.545 2.485 20 10 HECDRO CC(C)n1nccc1NC(=O)C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000769024582 1080887883 /nfs/dbraw/zinc/88/78/83/1080887883.db2.gz NUONKCPICBTQJU-UHFFFAOYSA-N 1 0 424.549 2.251 20 10 HECDRO Cn1cnnc1[C@@H]1CCCN1C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000769043381 1080892902 /nfs/dbraw/zinc/89/29/02/1080892902.db2.gz AWIFDCRRLFHFJT-NRFANRHFSA-N 1 0 423.565 2.394 20 10 HECDRO CC[NH+]1CCN(c2ccc(CNC(=O)Nc3cc(CCOC)nn3C)cc2F)CC1 ZINC000768998178 1080895149 /nfs/dbraw/zinc/89/51/49/1080895149.db2.gz IVVWMKGQDPPFNQ-UHFFFAOYSA-N 1 0 418.517 2.212 20 10 HECDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000769153432 1080972895 /nfs/dbraw/zinc/97/28/95/1080972895.db2.gz IFRBNRBFBVXDAZ-VXKWHMMOSA-N 1 0 416.566 2.042 20 10 HECDRO C[C@@H]1C[C@@H](N(C)C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CC[N@@H+]1C ZINC000745692042 1078587758 /nfs/dbraw/zinc/58/77/58/1078587758.db2.gz QWVJHNLQTFLZRC-POAQFYNOSA-N 1 0 401.555 2.012 20 10 HECDRO COc1ccc(N2CCC(NC(=O)N(CC[NH+](C)C)C[C@H]3CCCO3)CC2)cc1 ZINC000745799506 1078652050 /nfs/dbraw/zinc/65/20/50/1078652050.db2.gz IPMYJQVZHQLCFH-OAQYLSRUSA-N 1 0 404.555 2.416 20 10 HECDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CC[C@@H](COCCOC)C3)cc2F)CC1 ZINC000745810023 1078656356 /nfs/dbraw/zinc/65/63/56/1078656356.db2.gz WWPSVBPWXMQPJX-LJQANCHMSA-N 1 0 422.545 2.162 20 10 HECDRO CCN1CC[NH+](C[C@H](C)CNC(=O)N2CCCN(c3ccc(OC)cc3)CC2)CC1 ZINC000745861705 1078677025 /nfs/dbraw/zinc/67/70/25/1078677025.db2.gz DTHJEJKXNSJIIJ-HXUWFJFHSA-N 1 0 417.598 2.191 20 10 HECDRO CC[NH+]1CCN(c2cccc(NC(=O)c3ccc(C[C@H]4CC(=O)NC4=O)cc3)c2)CC1 ZINC000770148961 1078747853 /nfs/dbraw/zinc/74/78/53/1078747853.db2.gz UDDBVDDDUFZZAX-IBGZPJMESA-N 1 0 420.513 2.286 20 10 HECDRO COc1ccc(N2CC[NH+](CCCNC(=O)N[C@H](CO)CC(C)(C)C)CC2)cc1 ZINC000746313135 1078849626 /nfs/dbraw/zinc/84/96/26/1078849626.db2.gz YWLQIPVZBHAPCT-SFHVURJKSA-N 1 0 406.571 2.304 20 10 HECDRO O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000804279962 1079000445 /nfs/dbraw/zinc/00/04/45/1079000445.db2.gz VWPUODQVHOVZHX-QFIPXVFZSA-N 1 0 418.541 2.317 20 10 HECDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000804277505 1079007991 /nfs/dbraw/zinc/00/79/91/1079007991.db2.gz DIDWVNQEODWFKV-FQEVSTJZSA-N 1 0 408.546 2.316 20 10 HECDRO COc1ccc(N2CC[NH+](CCCNC(=O)NC[C@H]3CCO[C@@H](C)C3)CC2)cc1 ZINC000770826561 1079033690 /nfs/dbraw/zinc/03/36/90/1079033690.db2.gz JGFINJDULNROKC-OALUTQOASA-N 1 0 404.555 2.322 20 10 HECDRO O=C(CCCN1C(=O)CCC1=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000771055593 1079116623 /nfs/dbraw/zinc/11/66/23/1079116623.db2.gz ZPOXINQRYHXRHF-MRXNPFEDSA-N 1 0 407.898 2.055 20 10 HECDRO CCC[NH+]1CCC(N(C)C(=O)C(=O)NC2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC000804317505 1079250019 /nfs/dbraw/zinc/25/00/19/1079250019.db2.gz GFMKEVJPPWKYNI-UHFFFAOYSA-N 1 0 416.566 2.113 20 10 HECDRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC2CCN(c3ccc(OC)cc3)CC2)C[C@@H]1C ZINC000804318352 1079264624 /nfs/dbraw/zinc/26/46/24/1079264624.db2.gz IIZCRMRXSGUHKB-PXNSSMCTSA-N 1 0 416.566 2.111 20 10 HECDRO C[NH+]1CCC(O)(CNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CC1 ZINC000741084194 1076349107 /nfs/dbraw/zinc/34/91/07/1076349107.db2.gz JNNPDLMUUAQYFN-UHFFFAOYSA-N 1 0 412.481 2.013 20 10 HECDRO C[NH+](C)CCOc1ccc(NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)cc1 ZINC000741099777 1076370412 /nfs/dbraw/zinc/37/04/12/1076370412.db2.gz HWLQIIWMWQVYRP-UHFFFAOYSA-N 1 0 408.502 2.258 20 10 HECDRO CCOC(=O)N1CCN(C(=O)C[N@H+](C)Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000741712439 1076601686 /nfs/dbraw/zinc/60/16/86/1076601686.db2.gz VTWRIIALCYJTNL-UHFFFAOYSA-N 1 0 402.539 2.409 20 10 HECDRO COc1ccc(N2CCN(CCNC(=O)NC[C@@H](C)[N@@H+]3CCC[C@H](C)C3)CC2)cc1 ZINC000743362544 1077032496 /nfs/dbraw/zinc/03/24/96/1077032496.db2.gz FOMRLECFUSJLGN-VQTJNVASSA-N 1 0 417.598 2.237 20 10 HECDRO C[NH+]1CCN(c2ccc(CNC(=O)NCc3c(O)ccc4c3CCCC4)cn2)CC1 ZINC000743527866 1077063640 /nfs/dbraw/zinc/06/36/40/1077063640.db2.gz AXAIWLUWPSZYMP-UHFFFAOYSA-N 1 0 409.534 2.417 20 10 HECDRO C[C@@H]1CC[N@H+](CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C[C@@H]1n1ccnc1 ZINC000767432034 1079860450 /nfs/dbraw/zinc/86/04/50/1079860450.db2.gz DSDUQNUQYQJJIS-UTKZUKDTSA-N 1 0 415.513 2.058 20 10 HECDRO COc1ccc(N2CC[NH+](CCCNC(=O)C(=O)N[C@@H]3CCCC3(C)C)CC2)cc1 ZINC000785529135 1080039249 /nfs/dbraw/zinc/03/92/49/1080039249.db2.gz VOBVTGMMTFBDIH-HXUWFJFHSA-N 1 0 416.566 2.018 20 10 HECDRO CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000786091528 1080389630 /nfs/dbraw/zinc/38/96/30/1080389630.db2.gz ZEWKKZRAQQZRAS-UHFFFAOYSA-N 1 0 424.339 2.246 20 10 HECDRO COC(OC)c1c(C[N@@H+]2CC[C@H](CO)C2)ccnc1NCc1ccc(O)c(O)c1 ZINC001169990185 1080438089 /nfs/dbraw/zinc/43/80/89/1080438089.db2.gz BSBMIJHGFULJKD-HNNXBMFYSA-N 1 0 403.479 2.211 20 10 HECDRO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768465305 1080585638 /nfs/dbraw/zinc/58/56/38/1080585638.db2.gz GFNAUEDECQQLQM-MLGOLLRUSA-N 1 0 402.413 2.441 20 10 HECDRO COC(=O)c1cccc(C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)n1 ZINC000768532463 1080613618 /nfs/dbraw/zinc/61/36/18/1080613618.db2.gz GOJVBTVWKZKUJV-UHFFFAOYSA-N 1 0 408.502 2.330 20 10 HECDRO Cn1c(Cl)ncc1S(=O)(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768583912 1080665662 /nfs/dbraw/zinc/66/56/62/1080665662.db2.gz YHROHZYPQIFXLK-UHFFFAOYSA-N 1 0 423.970 2.084 20 10 HECDRO C[C@@H]1CN(c2ccc(CNC(=O)CN3C[C@H](C)[N@H+](C)C[C@H]3C)cc2F)C[C@H](C)O1 ZINC000768769326 1080754158 /nfs/dbraw/zinc/75/41/58/1080754158.db2.gz FWEYXHITBMUPRI-XWTMOSNGSA-N 1 0 406.546 2.080 20 10 HECDRO C[C@@H]1CN(c2ccc(CNC(=O)CN3C[C@H](C)[N@H+](C)C[C@@H]3C)cc2F)C[C@H](C)O1 ZINC000768769301 1080754285 /nfs/dbraw/zinc/75/42/85/1080754285.db2.gz FWEYXHITBMUPRI-XLAORIBOSA-N 1 0 406.546 2.080 20 10 HECDRO NC(=O)COc1cccc(C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)c1 ZINC000768910865 1080850838 /nfs/dbraw/zinc/85/08/38/1080850838.db2.gz APUICEIBMSKWQK-KRWDZBQOSA-N 1 0 417.893 2.304 20 10 HECDRO O=C(CNC(=O)OCC(F)(F)F)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000768911887 1080852446 /nfs/dbraw/zinc/85/24/46/1080852446.db2.gz JJHULQAIMZGSJW-CYBMUJFWSA-N 1 0 423.819 2.415 20 10 HECDRO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1ccnc(-n2cncn2)c1 ZINC000768913179 1080853122 /nfs/dbraw/zinc/85/31/22/1080853122.db2.gz VXUJRQBGOJHTLT-QGZVFWFLSA-N 1 0 412.881 2.416 20 10 HECDRO O=C(CNC(=O)c1ccc(F)cc1)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768914367 1080854296 /nfs/dbraw/zinc/85/42/96/1080854296.db2.gz XCCXDEKAHKPTCY-UHFFFAOYSA-N 1 0 424.520 2.404 20 10 HECDRO COC(=O)C[C@@H]1CCCN1C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000769047308 1080894174 /nfs/dbraw/zinc/89/41/74/1080894174.db2.gz ORKKPYOSUKVZAA-NRFANRHFSA-N 1 0 414.550 2.456 20 10 HECDRO COc1ccc(N2CCN(CC[NH2+][C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)cc1 ZINC000769382603 1081058906 /nfs/dbraw/zinc/05/89/06/1081058906.db2.gz FMMRFCBRFTVXOB-GOSISDBHSA-N 1 0 404.555 2.416 20 10 HECDRO CN(C)c1ccc(CNC(=O)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1F ZINC000787289425 1081094153 /nfs/dbraw/zinc/09/41/53/1081094153.db2.gz HZNRXCVGIQJDBL-UHFFFAOYSA-N 1 0 412.509 2.420 20 10 HECDRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000745646180 1078573758 /nfs/dbraw/zinc/57/37/58/1078573758.db2.gz BROOENBLQGADDT-IBGZPJMESA-N 1 0 422.545 2.039 20 10 HECDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C1 ZINC000745690317 1078601432 /nfs/dbraw/zinc/60/14/32/1078601432.db2.gz ASPGZCWXAFGXIQ-UXHICEINSA-N 1 0 415.582 2.262 20 10 HECDRO CC[NH+]1CCN(c2cccc(NS(=O)(=O)c3ccc4[nH]c(=O)ccc4c3)c2)CC1 ZINC000769847493 1078606274 /nfs/dbraw/zinc/60/62/74/1078606274.db2.gz JABFJQOTXXTTNZ-UHFFFAOYSA-N 1 0 412.515 2.471 20 10 HECDRO COc1ccc(N2CCN(CCNC(=O)N(C)CC[C@@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000745784012 1078642499 /nfs/dbraw/zinc/64/24/99/1078642499.db2.gz KSGBTAACKNJOQU-FQEVSTJZSA-N 1 0 417.598 2.333 20 10 HECDRO O=C(NCCNc1cc[nH+]cc1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000745906665 1078691800 /nfs/dbraw/zinc/69/18/00/1078691800.db2.gz SMTMQOXUXBPYML-MRXNPFEDSA-N 1 0 405.449 2.485 20 10 HECDRO COc1ccc(N2CCN(C(=O)CN3CC[C@H]4CC[C@@H](C3)[N@@H+]4C(C)C)CC2)cc1 ZINC000745948613 1078705715 /nfs/dbraw/zinc/70/57/15/1078705715.db2.gz MPTDEKQRWVJDKX-RTWAWAEBSA-N 1 0 400.567 2.291 20 10 HECDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1)cc2=O ZINC000745986949 1078720277 /nfs/dbraw/zinc/72/02/77/1078720277.db2.gz UNXWEOVMMOCSPZ-CQSZACIVSA-N 1 0 419.482 2.053 20 10 HECDRO CC[NH+]1CCN(c2cccc(NC(=O)c3ccc(C[C@@H]4CC(=O)NC4=O)cc3)c2)CC1 ZINC000770148963 1078748274 /nfs/dbraw/zinc/74/82/74/1078748274.db2.gz UDDBVDDDUFZZAX-LJQANCHMSA-N 1 0 420.513 2.286 20 10 HECDRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)[C@@H](C)C1 ZINC000746317101 1078855993 /nfs/dbraw/zinc/85/59/93/1078855993.db2.gz OFJWZSCLTWCMRO-CUWPLCDZSA-N 1 0 415.582 2.260 20 10 HECDRO COc1ccc(N2CCN(C[C@@H](O)C[N@@H+]3CC[C@@]4(C3)OCc3ccccc34)CC2)cc1 ZINC000770687809 1078957135 /nfs/dbraw/zinc/95/71/35/1078957135.db2.gz DYAWPULIRWLTFV-RDGATRHJSA-N 1 0 423.557 2.310 20 10 HECDRO COc1ccc(N2CC[NH+](CCCNC(=O)NC[C@H]3CCO[C@H](C)C3)CC2)cc1 ZINC000770826556 1079033589 /nfs/dbraw/zinc/03/35/89/1079033589.db2.gz JGFINJDULNROKC-MOPGFXCFSA-N 1 0 404.555 2.322 20 10 HECDRO CCCN(CC(=O)OC(C)(C)C)C[C@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC001169092589 1079140204 /nfs/dbraw/zinc/14/02/04/1079140204.db2.gz VIKBOGTYCVXOSK-HXUWFJFHSA-N 1 0 421.582 2.232 20 10 HECDRO COc1ccc(N2CCC(NC(=O)C(=O)NC[C@@H](C)[N@@H+]3CCC[C@@H](C)C3)CC2)cc1 ZINC000804318272 1079235873 /nfs/dbraw/zinc/23/58/73/1079235873.db2.gz GCFHGMYNSBBOGI-QZTJIDSGSA-N 1 0 416.566 2.017 20 10 HECDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NC2CCN(c3ccc(OC)cc3)CC2)C[C@H]1C ZINC000804318354 1079264447 /nfs/dbraw/zinc/26/44/47/1079264447.db2.gz IIZCRMRXSGUHKB-YLJYHZDGSA-N 1 0 416.566 2.111 20 10 HECDRO C[C@@H]1CN(c2ccc(CNC(=O)CN3CC[N@H+](C)[C@H](C)[C@@H]3C)cc2F)C[C@@H](C)O1 ZINC000771457712 1079332481 /nfs/dbraw/zinc/33/24/81/1079332481.db2.gz ASUJHSUQBOUGNM-TVFCKZIOSA-N 1 0 406.546 2.080 20 10 HECDRO CCN(CC)c1ccc(C[NH2+]CC(=O)Nc2cccc(S(=O)(=O)NC)c2)cc1F ZINC000740004713 1076091408 /nfs/dbraw/zinc/09/14/08/1076091408.db2.gz UCKCETHHKHVPND-UHFFFAOYSA-N 1 0 422.526 2.308 20 10 HECDRO Cc1ccc(C)n1-c1ccc(C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)cc1 ZINC000741608952 1076564856 /nfs/dbraw/zinc/56/48/56/1076564856.db2.gz ZSITVXMKQRBHBG-UHFFFAOYSA-N 1 0 408.506 2.221 20 10 HECDRO C[N@H+](CC(=O)NC(=O)NCc1cccs1)Cc1ccc(N2CCOCC2)cc1 ZINC000741737364 1076615276 /nfs/dbraw/zinc/61/52/76/1076615276.db2.gz YPPNAUGMTRNCOL-UHFFFAOYSA-N 1 0 402.520 2.043 20 10 HECDRO COc1cc(Br)cc(C[NH2+][C@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)c1O ZINC000742390978 1076833371 /nfs/dbraw/zinc/83/33/71/1076833371.db2.gz XYHNUULNAMPKOS-HZMBPMFUSA-N 1 0 409.284 2.180 20 10 HECDRO COc1ccc(N2CCN(CCNC(=O)N3CCC[C@H]([NH+]4CCCC4)C3)CC2)cc1 ZINC000743362953 1077032779 /nfs/dbraw/zinc/03/27/79/1077032779.db2.gz MKFHXANVDCLVGJ-NRFANRHFSA-N 1 0 415.582 2.087 20 10 HECDRO CCN(CC)c1ccc(CNC(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cc1F ZINC000766974439 1079570462 /nfs/dbraw/zinc/57/04/62/1079570462.db2.gz UTKREJUYGBRSCC-FQEVSTJZSA-N 1 0 419.545 2.120 20 10 HECDRO C[C@@H](c1ccccc1)[C@H](CO)[NH2+]CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000766979236 1079575701 /nfs/dbraw/zinc/57/57/01/1079575701.db2.gz GMQQAXOSNMFTCP-UWJYYQICSA-N 1 0 415.509 2.033 20 10 HECDRO CNS(=O)(=O)c1ccc(C(=O)Nc2cccc(N3CC[NH+](C(C)C)CC3)c2)cc1 ZINC000767382722 1079839783 /nfs/dbraw/zinc/83/97/83/1079839783.db2.gz GHHYBSXCZOUZHH-UHFFFAOYSA-N 1 0 416.547 2.377 20 10 HECDRO Cc1ccc(S(N)(=O)=O)cc1C(=O)Nc1cccc(N2CC[NH+](C(C)C)CC2)c1 ZINC000767383340 1079840340 /nfs/dbraw/zinc/84/03/40/1079840340.db2.gz LTMLGXDBTVCZGX-UHFFFAOYSA-N 1 0 416.547 2.425 20 10 HECDRO Cc1nn(C)c(N2CCOCC2)c1C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000768161487 1080378767 /nfs/dbraw/zinc/37/87/67/1080378767.db2.gz FTJIWSUROGRKGH-IBGZPJMESA-N 1 0 400.523 2.452 20 10 HECDRO CC(C)n1cnc(S(=O)(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)c1 ZINC000768575971 1080641079 /nfs/dbraw/zinc/64/10/79/1080641079.db2.gz QFILGEWZGTZAIX-UHFFFAOYSA-N 1 0 417.579 2.475 20 10 HECDRO CC(=O)N1CCN(c2ccc(CNC(=O)c3ccccc3OCC[NH+](C)C)cc2)CC1 ZINC000786655064 1080738885 /nfs/dbraw/zinc/73/88/85/1080738885.db2.gz CMZDNBLEQRRTDB-UHFFFAOYSA-N 1 0 424.545 2.226 20 10 HECDRO C[C@@H](CCNC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)[S@](C)=O ZINC000768741323 1080764851 /nfs/dbraw/zinc/76/48/51/1080764851.db2.gz DDDSNDIHDLNULY-HPGBDJQBSA-N 1 0 406.596 2.175 20 10 HECDRO C[C@@H](CO[C@H]1CCOC1)NC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768742990 1080767229 /nfs/dbraw/zinc/76/72/29/1080767229.db2.gz ONRTUMUMXWJAPD-AVRDEDQJSA-N 1 0 416.566 2.212 20 10 HECDRO CC(C)CS(=O)(=O)CCC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768912692 1080851375 /nfs/dbraw/zinc/85/13/75/1080851375.db2.gz BYJANIZXBUKRCI-UHFFFAOYSA-N 1 0 421.607 2.296 20 10 HECDRO CC(C)CN1C[C@@H](C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)CC1=O ZINC000768913165 1080853065 /nfs/dbraw/zinc/85/30/65/1080853065.db2.gz HPGHTMOMDRMECG-NRFANRHFSA-N 1 0 412.578 2.339 20 10 HECDRO COC(=O)[C@]1(C)CCN(C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)C1 ZINC000769042668 1080892715 /nfs/dbraw/zinc/89/27/15/1080892715.db2.gz QEFBTNUZFCORSJ-HSZRJFAPSA-N 1 0 414.550 2.313 20 10 HECDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000787003583 1080917464 /nfs/dbraw/zinc/91/74/64/1080917464.db2.gz YUTLGKAQTMVPOL-KRWDZBQOSA-N 1 0 420.529 2.057 20 10 HECDRO COc1cccc(O)c1C[N@@H+]1CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 ZINC000769192034 1080964879 /nfs/dbraw/zinc/96/48/79/1080964879.db2.gz GTWUFOUGINDXHG-OAHLLOKOSA-N 1 0 407.511 2.254 20 10 HECDRO O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000769156847 1080974816 /nfs/dbraw/zinc/97/48/16/1080974816.db2.gz UJVAHNPQRHWXGP-SJBKTWHCSA-N 1 0 417.550 2.461 20 10 HECDRO O[C@H](C[NH2+]Cc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)CC(F)(F)F ZINC000787252437 1081072387 /nfs/dbraw/zinc/07/23/87/1081072387.db2.gz XCTJYDWLEVFRGE-HNNXBMFYSA-N 1 0 413.419 2.345 20 10 HECDRO COc1ccc(N2CC[NH+](C[C@H](O)COc3ccc(-c4ncn(C)n4)cc3)CC2)cc1 ZINC000787251116 1081072493 /nfs/dbraw/zinc/07/24/93/1081072493.db2.gz DMZPWKIJEOFYQD-FQEVSTJZSA-N 1 0 423.517 2.053 20 10 HECDRO COc1ccc(N2CCN(C[C@H](O)C[N@@H+]3CC[C@@H](CC(F)(F)F)C3)CC2)cc1 ZINC000769867525 1078588178 /nfs/dbraw/zinc/58/81/78/1078588178.db2.gz XZMMFGCFZFSHGH-WMZOPIPTSA-N 1 0 401.473 2.452 20 10 HECDRO CCN1CC[NH+](C[C@@H](C)CNC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)CC1 ZINC000745778543 1078638692 /nfs/dbraw/zinc/63/86/92/1078638692.db2.gz DIMPXHXVASKAHW-VQTJNVASSA-N 1 0 417.598 2.157 20 10 HECDRO CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000745810181 1078656460 /nfs/dbraw/zinc/65/64/60/1078656460.db2.gz YMNFTYXHMIFKSY-CQSZACIVSA-N 1 0 413.360 2.322 20 10 HECDRO CCC[N@H+](C)CC(=O)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S ZINC000746172889 1078810005 /nfs/dbraw/zinc/81/00/05/1078810005.db2.gz NWNRUWFIBUBHAO-YBEGLDIGSA-N 1 0 421.544 2.075 20 10 HECDRO O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000746280271 1078843508 /nfs/dbraw/zinc/84/35/08/1078843508.db2.gz OMNDAZKWUQUVGP-VWLOTQADSA-N 1 0 423.557 2.149 20 10 HECDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)[C@H](C)C1 ZINC000746313630 1078853738 /nfs/dbraw/zinc/85/37/38/1078853738.db2.gz GFMUHEPLGNVLRL-DENIHFKCSA-N 1 0 417.598 2.189 20 10 HECDRO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000770627961 1078921734 /nfs/dbraw/zinc/92/17/34/1078921734.db2.gz CRZMFTKEUVTVIL-AWEZNQCLSA-N 1 0 406.826 2.449 20 10 HECDRO CCCC[C@H](NC(=O)NCC)C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000771268713 1079257109 /nfs/dbraw/zinc/25/71/09/1079257109.db2.gz SQSOCBUJLRNQQW-IBGZPJMESA-N 1 0 421.561 2.462 20 10 HECDRO CC(C)(C)OC(=O)N1C[C@@H]([NH2+]Cc2cccc(O)c2O)C[C@H]1C(=O)N1CCSC1 ZINC001170025867 1079294859 /nfs/dbraw/zinc/29/48/59/1079294859.db2.gz KQMXMOAGIIONAI-GJZGRUSLSA-N 1 0 423.535 2.098 20 10 HECDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)CC[C@H]21 ZINC000766880258 1079474975 /nfs/dbraw/zinc/47/49/75/1079474975.db2.gz KYPIOZASHYSTEN-SVFBPWRDSA-N 1 0 413.566 2.014 20 10 HECDRO COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccc(C)cc2OCC[NH+](C)C)c1 ZINC000739078133 1076038853 /nfs/dbraw/zinc/03/88/53/1076038853.db2.gz BRDDZRDJFRKJKU-OAHLLOKOSA-N 1 0 415.490 2.466 20 10 HECDRO CC[N@@H+]1C[C@H](C)N(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C[C@@H]1C ZINC000766250375 1076151111 /nfs/dbraw/zinc/15/11/11/1076151111.db2.gz LCMOJYGIYWONEM-JENIJYKNSA-N 1 0 401.555 2.012 20 10 HECDRO CCO[C@H]1C[C@H]([N@H+](C)CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1(C)C ZINC000740887207 1076286100 /nfs/dbraw/zinc/28/61/00/1076286100.db2.gz QUHDUZXCFPRESF-PMACEKPBSA-N 1 0 407.530 2.414 20 10 HECDRO CCOC(=O)c1cnn2c1[nH]c(COC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)cc2=O ZINC000741010664 1076327638 /nfs/dbraw/zinc/32/76/38/1076327638.db2.gz JZCJZLHKBFCELS-QGZVFWFLSA-N 1 0 404.467 2.165 20 10 HECDRO COc1ccc(N2CCC(NC(=O)CC[NH+]3CCN(c4ccccn4)CC3)CC2)cc1 ZINC000741145548 1076392196 /nfs/dbraw/zinc/39/21/96/1076392196.db2.gz WGPWMPBOUOYSGW-UHFFFAOYSA-N 1 0 423.561 2.388 20 10 HECDRO O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000741411372 1076514204 /nfs/dbraw/zinc/51/42/04/1076514204.db2.gz LPLWYTINYBPJTE-XMMPIXPASA-N 1 0 406.530 2.499 20 10 HECDRO CS(=O)(=O)Nc1ccc(O)c(C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000742830150 1076887311 /nfs/dbraw/zinc/88/73/11/1076887311.db2.gz FHKRKAZMSWSBJA-KRWDZBQOSA-N 1 0 417.531 2.406 20 10 HECDRO COc1ccc(N2CCN(CCNC(=O)NC[C@H](C)[N@@H+]3CCC[C@H](C)C3)CC2)cc1 ZINC000743362541 1077032678 /nfs/dbraw/zinc/03/26/78/1077032678.db2.gz FOMRLECFUSJLGN-PMACEKPBSA-N 1 0 417.598 2.237 20 10 HECDRO COc1ccc(N2CC[NH+](CCCNC(=O)NCc3ncc(C)s3)CC2)cc1 ZINC000743669247 1077086421 /nfs/dbraw/zinc/08/64/21/1077086421.db2.gz YJFKVRQIXZZTTI-UHFFFAOYSA-N 1 0 403.552 2.472 20 10 HECDRO CNS(=O)(=O)c1cccc(C(=O)Nc2cccc(N3CC[NH+](C(C)C)CC3)c2)c1 ZINC000767382962 1079839818 /nfs/dbraw/zinc/83/98/18/1079839818.db2.gz JTWVDWPYOQVRKZ-UHFFFAOYSA-N 1 0 416.547 2.377 20 10 HECDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCC[C@H](C(C)(C)C(=O)OC)C1)cc2=O ZINC000772369379 1079850736 /nfs/dbraw/zinc/85/07/36/1079850736.db2.gz FTWROJMIZGHAJG-ZDUSSCGKSA-N 1 0 404.467 2.023 20 10 HECDRO CC(C)NC(=O)c1cnn2c1C[C@H](C[NH2+]Cc1ccc(N3CCOCC3)cc1)CC2 ZINC000785563553 1080079237 /nfs/dbraw/zinc/07/92/37/1080079237.db2.gz NFPUYFIHGIQUBW-LJQANCHMSA-N 1 0 411.550 2.210 20 10 HECDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)c3ccc(CS(N)(=O)=O)cc3)c2)CC1 ZINC000767931179 1080229061 /nfs/dbraw/zinc/22/90/61/1080229061.db2.gz NKUQKLXGEUISLR-UHFFFAOYSA-N 1 0 416.547 2.258 20 10 HECDRO CCN(CCS(C)(=O)=O)C(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000767969489 1080240726 /nfs/dbraw/zinc/24/07/26/1080240726.db2.gz MDQFFOKHSCZKBI-UHFFFAOYSA-N 1 0 405.564 2.301 20 10 HECDRO CNC(=O)c1ccc(S(=O)(=O)Nc2cccc(N3CC[NH+](C(C)C)CC3)c2)cc1 ZINC000768016410 1080284112 /nfs/dbraw/zinc/28/41/12/1080284112.db2.gz LXPABRHQBNBAEU-UHFFFAOYSA-N 1 0 416.547 2.377 20 10 HECDRO CCOC(=O)c1ccc(N2CCC[N@H+](Cc3cc4c(cc3O)OC[C@H]4O)CC2)nc1 ZINC000768449697 1080567335 /nfs/dbraw/zinc/56/73/35/1080567335.db2.gz YNHOHMHTMPBCGA-LJQANCHMSA-N 1 0 413.474 2.102 20 10 HECDRO O=C(CS(=O)(=O)C1CCCC1)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768544073 1080645859 /nfs/dbraw/zinc/64/58/59/1080645859.db2.gz OOPKTTCNARMSSY-UHFFFAOYSA-N 1 0 419.591 2.192 20 10 HECDRO O=C(CCCNC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)NC1CC1 ZINC000768696025 1080713074 /nfs/dbraw/zinc/71/30/74/1080713074.db2.gz UIFZMZJXBBOKBW-UHFFFAOYSA-N 1 0 413.566 2.077 20 10 HECDRO CC[C@H](C)NC(=O)CCNC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768701698 1080716155 /nfs/dbraw/zinc/71/61/55/1080716155.db2.gz SGDBDOXUKZKRCP-SFHVURJKSA-N 1 0 415.582 2.323 20 10 HECDRO CC[C@H](C)NC(=O)[C@H](C)NC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768713658 1080730606 /nfs/dbraw/zinc/73/06/06/1080730606.db2.gz MOPAGKCYCSHRPG-ROUUACIJSA-N 1 0 415.582 2.321 20 10 HECDRO C[C@@H]1CN(c2ccc(CNC(=O)CN3C[C@H](C)[N@H+](C)C[C@H]3C)cc2F)C[C@@H](C)O1 ZINC000768769248 1080754216 /nfs/dbraw/zinc/75/42/16/1080754216.db2.gz FWEYXHITBMUPRI-BSDSXHPESA-N 1 0 406.546 2.080 20 10 HECDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)C(=O)NCc1cccc(F)c1 ZINC000786674278 1080773535 /nfs/dbraw/zinc/77/35/35/1080773535.db2.gz NWBMGDWFQKPFNY-UHFFFAOYSA-N 1 0 424.520 2.290 20 10 HECDRO CCOC(=O)c1cnn2c1[nH]c(COC(=O)CC[N@@H+]1CCc3ccccc3C1)cc2=O ZINC000786818359 1080842453 /nfs/dbraw/zinc/84/24/53/1080842453.db2.gz TXKMHKUQDLQSDN-UHFFFAOYSA-N 1 0 424.457 2.103 20 10 HECDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1ccc(-n2cncn2)nc1 ZINC000768913614 1080852603 /nfs/dbraw/zinc/85/26/03/1080852603.db2.gz MEPITMRUNHGQQR-UHFFFAOYSA-N 1 0 417.517 2.124 20 10 HECDRO CCC(=O)N1CSC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000768914620 1080853738 /nfs/dbraw/zinc/85/37/38/1080853738.db2.gz FSCDBQVRVDAGTL-HZPDHXFCSA-N 1 0 411.955 2.438 20 10 HECDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000768914145 1080854243 /nfs/dbraw/zinc/85/42/43/1080854243.db2.gz CPXPBTUVCLWWMI-OAHLLOKOSA-N 1 0 407.858 2.240 20 10 HECDRO C[C@H](OC[C@H]1CCCO1)C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768915390 1080854830 /nfs/dbraw/zinc/85/48/30/1080854830.db2.gz LYTWKAHHGFBOJD-PGRDOPGGSA-N 1 0 401.551 2.419 20 10 HECDRO COC(=O)[C@@]1(C)CCN(C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)C1 ZINC000769042670 1080892656 /nfs/dbraw/zinc/89/26/56/1080892656.db2.gz QEFBTNUZFCORSJ-QHCPKHFHSA-N 1 0 414.550 2.313 20 10 HECDRO O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000769156852 1080974688 /nfs/dbraw/zinc/97/46/88/1080974688.db2.gz UJVAHNPQRHWXGP-VWPQPMDRSA-N 1 0 417.550 2.461 20 10 HECDRO COc1ccc(N2CCN(C(=O)NC3CC[NH+]([C@H]4CCC[C@H]4O)CC3)CC2)cc1F ZINC000769157514 1080975850 /nfs/dbraw/zinc/97/58/50/1080975850.db2.gz WHXJCECJFDWBOW-VQTJNVASSA-N 1 0 420.529 2.044 20 10 HECDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)[C@@H]1CCCN1c1ncccn1 ZINC000769165964 1080982874 /nfs/dbraw/zinc/98/28/74/1080982874.db2.gz XMYSTSXAXHDUCS-QFIPXVFZSA-N 1 0 420.561 2.294 20 10 HECDRO CN(C)C(=O)CC[NH+]1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 ZINC000769505564 1081100138 /nfs/dbraw/zinc/10/01/38/1081100138.db2.gz GHODNLLWXZMMJD-UHFFFAOYSA-N 1 0 403.527 2.181 20 10 HECDRO CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)c1 ZINC000769663926 1078503044 /nfs/dbraw/zinc/50/30/44/1078503044.db2.gz LBWKHZUZLXXUQB-GOSISDBHSA-N 1 0 403.504 2.331 20 10 HECDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)O[C@H](C)C(=O)N2CCOCC2)C1 ZINC000769664265 1078503255 /nfs/dbraw/zinc/50/32/55/1078503255.db2.gz CRDYXFLWUIEMHH-QGZVFWFLSA-N 1 0 413.518 2.198 20 10 HECDRO CCN1CC[NH+](C[C@@H](C)CNC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)CC1 ZINC000745778541 1078638669 /nfs/dbraw/zinc/63/86/69/1078638669.db2.gz DIMPXHXVASKAHW-PMACEKPBSA-N 1 0 417.598 2.157 20 10 HECDRO CCN1CC[NH+](C[C@@H](C)CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)CC1 ZINC000745863111 1078678308 /nfs/dbraw/zinc/67/83/08/1078678308.db2.gz RAIMKVRNNJGDRU-PZJWPPBQSA-N 1 0 418.582 2.356 20 10 HECDRO NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)NCC3CC[NH+](C4CC4)CC3)cc2)C1 ZINC000770299798 1078822180 /nfs/dbraw/zinc/82/21/80/1078822180.db2.gz MPCHYDHRMSZWAV-IBGZPJMESA-N 1 0 413.566 2.062 20 10 HECDRO Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000771063990 1079122778 /nfs/dbraw/zinc/12/27/78/1079122778.db2.gz GJQIDOZZOCKCRE-OAHLLOKOSA-N 1 0 420.897 2.269 20 10 HECDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CCC(CC(=O)NC)CC3)cc2F)CC1 ZINC000746416827 1079203106 /nfs/dbraw/zinc/20/31/06/1079203106.db2.gz AFGIKNWOIDEZJE-UHFFFAOYSA-N 1 0 419.545 2.025 20 10 HECDRO COc1ccc(N2CCC(NC(=O)C(=O)N3CCC[N@@H+](C(C)(C)C)CC3)CC2)cc1 ZINC000804319102 1079241919 /nfs/dbraw/zinc/24/19/19/1079241919.db2.gz YRUAYJNJIJMRTB-UHFFFAOYSA-N 1 0 416.566 2.113 20 10 HECDRO COc1ccc(N2CCC(NC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CC2)cc1 ZINC000804319614 1079252708 /nfs/dbraw/zinc/25/27/08/1079252708.db2.gz QARDBYLGDPYBNA-HXUWFJFHSA-N 1 0 418.582 2.263 20 10 HECDRO CC[NH+]1CCN(c2cccc(NC(=O)c3cc(C)ccc3S(N)(=O)=O)c2)CC1 ZINC000771636999 1079444625 /nfs/dbraw/zinc/44/46/25/1079444625.db2.gz MJTBANRGQYANRL-UHFFFAOYSA-N 1 0 402.520 2.037 20 10 HECDRO C[N@@H+]1CCC[C@H]2CN(C(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)CC[C@@H]21 ZINC000766878937 1079473881 /nfs/dbraw/zinc/47/38/81/1079473881.db2.gz KRHXVYCQKGQYMJ-PXNSSMCTSA-N 1 0 404.530 2.413 20 10 HECDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3cn(CCC(C)C)nn3)CC2)cc1 ZINC000740646197 1076208191 /nfs/dbraw/zinc/20/81/91/1076208191.db2.gz RXQOEYZAQSSDEL-UHFFFAOYSA-N 1 0 414.554 2.275 20 10 HECDRO CC[NH+]1CCN(c2ccc(CNC(=O)NCCCOC[C@@H]3CCOC3)cc2F)CC1 ZINC000740920204 1076305659 /nfs/dbraw/zinc/30/56/59/1076305659.db2.gz FPUKCWLUHVRUBM-IBGZPJMESA-N 1 0 422.545 2.210 20 10 HECDRO COc1ccc(N2CC[NH+](CCCNC(=O)N[C@@H]3[C@@H]4CCO[C@@H]4C3(C)C)CC2)cc1 ZINC000741284653 1076455476 /nfs/dbraw/zinc/45/54/76/1076455476.db2.gz XUKSRRDHHVEKDZ-HBMCJLEFSA-N 1 0 416.566 2.320 20 10 HECDRO CC[NH+](CC)[C@@H]1CCN(CC(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)C1 ZINC000743867063 1077153355 /nfs/dbraw/zinc/15/33/55/1077153355.db2.gz JYUSNQNKDRZKGX-WSTZPKSXSA-N 1 0 420.573 2.472 20 10 HECDRO CC[N@H+](Cc1cc(Br)ccc1O)[C@H](C)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000743874196 1077157614 /nfs/dbraw/zinc/15/76/14/1077157614.db2.gz VXLKBWXZWXGUSS-OLZOCXBDSA-N 1 0 412.328 2.089 20 10 HECDRO CC[N@H+](C)C[C@@H]1CCN(CC(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)C1 ZINC000744424078 1077386710 /nfs/dbraw/zinc/38/67/10/1077386710.db2.gz SHNKCZNCPVHHAU-NSHGMRRFSA-N 1 0 420.573 2.329 20 10 HECDRO Cc1ccc(C(=O)Nc2cccc(N3CC[NH+](C(C)C)CC3)c2)cc1S(N)(=O)=O ZINC000767382692 1079839881 /nfs/dbraw/zinc/83/98/81/1079839881.db2.gz USQRNDIFCXITNU-UHFFFAOYSA-N 1 0 416.547 2.425 20 10 HECDRO Cc1cc(C(=O)Nc2cccc(N3CC[NH+](C(C)C)CC3)c2)ccc1S(N)(=O)=O ZINC000767383326 1079840372 /nfs/dbraw/zinc/84/03/72/1079840372.db2.gz KZUYQPXGCJTINH-UHFFFAOYSA-N 1 0 416.547 2.425 20 10 HECDRO CCOC[C@@H]1CC[N@H+](CC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)C1 ZINC000747967957 1079898610 /nfs/dbraw/zinc/89/86/10/1079898610.db2.gz ZODYEULBUVLFLN-ZHALLVOQSA-N 1 0 407.530 2.414 20 10 HECDRO COc1ccc(N2CC[NH+](CCCNC(=O)N(C)C3CCC(CO)CC3)CC2)cc1 ZINC000772587692 1079949316 /nfs/dbraw/zinc/94/93/16/1079949316.db2.gz CTNGFQKJCZTHIF-UHFFFAOYSA-N 1 0 418.582 2.400 20 10 HECDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@H](O)Cc3cccc(OC)c3)cc2F)CC1 ZINC000785587086 1080062293 /nfs/dbraw/zinc/06/22/93/1080062293.db2.gz DCMFBOJPQANMJF-JOCHJYFZSA-N 1 0 415.509 2.196 20 10 HECDRO COc1cccc(C[C@@H](O)C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)c1 ZINC000785619447 1080122948 /nfs/dbraw/zinc/12/29/48/1080122948.db2.gz BTRKSXIIAUUTKO-XMMPIXPASA-N 1 0 423.557 2.447 20 10 HECDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N(CCS(C)(=O)=O)C2CC2)C1 ZINC000767969824 1080241540 /nfs/dbraw/zinc/24/15/40/1080241540.db2.gz OLBYULLKLYBHQL-UHFFFAOYSA-N 1 0 417.575 2.443 20 10 HECDRO O=C(NCCCO)C1CC[NH+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 ZINC000768312831 1080480503 /nfs/dbraw/zinc/48/05/03/1080480503.db2.gz DAZNDXSQWYTHEV-UHFFFAOYSA-N 1 0 404.511 2.296 20 10 HECDRO O=C(NCCc1cccs1)C1CC[NH+](Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000768438891 1080559291 /nfs/dbraw/zinc/55/92/91/1080559291.db2.gz ADVGFMHIPKGNOP-IBGZPJMESA-N 1 0 402.516 2.450 20 10 HECDRO COc1ccc(N2CC[NH+](C[C@@H](O)CN(C)c3cc(OC)cc(OC)c3)CC2)cc1 ZINC000786440806 1080603700 /nfs/dbraw/zinc/60/37/00/1080603700.db2.gz HMHQSBMZPVFRJY-FQEVSTJZSA-N 1 0 415.534 2.332 20 10 HECDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1cccc(-n2cnnn2)c1 ZINC000768532375 1080614109 /nfs/dbraw/zinc/61/41/09/1080614109.db2.gz CNNBNHUDKFRRLF-UHFFFAOYSA-N 1 0 417.517 2.124 20 10 HECDRO O=C(CNC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)NC1CCCC1 ZINC000768715303 1080730395 /nfs/dbraw/zinc/73/03/95/1080730395.db2.gz QZKKITUSCKLFTN-UHFFFAOYSA-N 1 0 413.566 2.077 20 10 HECDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)N[C@H]1CCc2c[nH]nc2C1 ZINC000768744378 1080767752 /nfs/dbraw/zinc/76/77/52/1080767752.db2.gz WRBZARBHZPZAKO-FQEVSTJZSA-N 1 0 408.550 2.298 20 10 HECDRO COC(=O)[C@@H]1CCN(C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)[C@H]1C ZINC000786802624 1080835587 /nfs/dbraw/zinc/83/55/87/1080835587.db2.gz YMKILCHUAZIOEH-LAUBAEHRSA-N 1 0 414.550 2.312 20 10 HECDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)N1CCC2(CC1)OCCO2 ZINC000769036546 1080891452 /nfs/dbraw/zinc/89/14/52/1080891452.db2.gz MHZCYZOUCHYRMN-UHFFFAOYSA-N 1 0 414.550 2.267 20 10 HECDRO COc1cccc(O)c1C[N@@H+]1CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 ZINC000769192033 1080965059 /nfs/dbraw/zinc/96/50/59/1080965059.db2.gz GTWUFOUGINDXHG-HNNXBMFYSA-N 1 0 407.511 2.254 20 10 HECDRO CCN(CC)c1ccc(CNC(=O)C(=O)NC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000787143204 1081027308 /nfs/dbraw/zinc/02/73/08/1081027308.db2.gz ILYLFKNUBWAFBF-UHFFFAOYSA-N 1 0 423.561 2.325 20 10 HECDRO COc1cccc(C[NH+]2CCN(c3ncc(Br)c(OC)n3)CC2)c1O ZINC000769330808 1081044521 /nfs/dbraw/zinc/04/45/21/1081044521.db2.gz ALYNPDFTXUCBLR-UHFFFAOYSA-N 1 0 409.284 2.284 20 10 HECDRO COCCCNC(=O)[C@@H](C)OC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000769662424 1078500208 /nfs/dbraw/zinc/50/02/08/1078500208.db2.gz BXVZNLMQLVDGRV-QGZVFWFLSA-N 1 0 415.534 2.492 20 10 HECDRO COc1ccc(-n2c(C)cc(C(=O)N3CCN(C(=O)[C@H]4CCC[N@@H+]4C)CC3)c2C)cc1 ZINC000766333130 1078503015 /nfs/dbraw/zinc/50/30/15/1078503015.db2.gz GPEAZLFNASTCPK-JOCHJYFZSA-N 1 0 424.545 2.481 20 10 HECDRO CC[NH+]1CCC(CCNC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CC1 ZINC000745691760 1078587964 /nfs/dbraw/zinc/58/79/64/1078587964.db2.gz NEFVFHBXGCBPMQ-FQEVSTJZSA-N 1 0 415.582 2.310 20 10 HECDRO CC[NH+]1CCN(c2cccc(NS(=O)(=O)c3cccc(C(=O)N(C)C)c3)c2)CC1 ZINC000769846791 1078607328 /nfs/dbraw/zinc/60/73/28/1078607328.db2.gz DRUISNUPEQXMHJ-UHFFFAOYSA-N 1 0 416.547 2.331 20 10 HECDRO COCCN(CC[NH+](C)C)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000745906338 1078688040 /nfs/dbraw/zinc/68/80/40/1078688040.db2.gz YWURTLAJMXZIGQ-INIZCTEOSA-N 1 0 414.497 2.476 20 10 HECDRO O=C(NCCNc1cc[nH+]cc1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000745906663 1078691742 /nfs/dbraw/zinc/69/17/42/1078691742.db2.gz SMTMQOXUXBPYML-INIZCTEOSA-N 1 0 405.449 2.485 20 10 HECDRO CC[NH+]1CCN(c2cccc(NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)c2)CC1 ZINC000770149032 1078748285 /nfs/dbraw/zinc/74/82/85/1078748285.db2.gz VIUKWGARDYDERC-UHFFFAOYSA-N 1 0 416.547 2.331 20 10 HECDRO CN(C)c1ccc(CN(Cc2ccco2)C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)cc1 ZINC000746118140 1078795746 /nfs/dbraw/zinc/79/57/46/1078795746.db2.gz RRALOMVQHLJQBW-LJQANCHMSA-N 1 0 412.534 2.285 20 10 HECDRO CC[NH+]1CCN(c2cccc(NC(=O)c3cc(S(=O)(=O)NC)ccc3C)c2)CC1 ZINC000770286552 1078808574 /nfs/dbraw/zinc/80/85/74/1078808574.db2.gz NOUSZDVHLBAXGP-UHFFFAOYSA-N 1 0 416.547 2.297 20 10 HECDRO C[C@@H](NC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(N2CCOCC2)cc1 ZINC000746168805 1078814161 /nfs/dbraw/zinc/81/41/61/1078814161.db2.gz QUBXIOGLAODHGQ-NTKDMRAZSA-N 1 0 409.530 2.337 20 10 HECDRO CC[NH+]1CCN(c2ccc(CNC(=O)CCSc3n[nH]c(C)n3)cc2F)CC1 ZINC000746228725 1078821863 /nfs/dbraw/zinc/82/18/63/1078821863.db2.gz FIAVTPCEQRFNHT-UHFFFAOYSA-N 1 0 406.531 2.193 20 10 HECDRO O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000804279961 1079000552 /nfs/dbraw/zinc/00/05/52/1079000552.db2.gz VWPUODQVHOVZHX-JOCHJYFZSA-N 1 0 418.541 2.317 20 10 HECDRO COc1ccc(C[NH2+][C@@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)cc1C ZINC001169184606 1079194947 /nfs/dbraw/zinc/19/49/47/1079194947.db2.gz QYVBOTNCWUBCAI-INIZCTEOSA-N 1 0 413.522 2.099 20 10 HECDRO CC[N@H+](Cc1ccccc1O)[C@@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC001169210929 1079197112 /nfs/dbraw/zinc/19/71/12/1079197112.db2.gz AZUJUECBFXJGPP-INIZCTEOSA-N 1 0 413.522 2.220 20 10 HECDRO CCCC[C@@H](NC(=O)NCC)C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000771268714 1079257006 /nfs/dbraw/zinc/25/70/06/1079257006.db2.gz SQSOCBUJLRNQQW-LJQANCHMSA-N 1 0 421.561 2.462 20 10 HECDRO C[C@@H]1CN(c2ccc(CNC(=O)CN3CC[N@H+](C)[C@H](C)[C@@H]3C)cc2F)C[C@H](C)O1 ZINC000771457713 1079332326 /nfs/dbraw/zinc/33/23/26/1079332326.db2.gz ASUJHSUQBOUGNM-XDNAFOTISA-N 1 0 406.546 2.080 20 10 HECDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCN3C(=O)OCC[C@@H]3C2)C1 ZINC000766853079 1079440100 /nfs/dbraw/zinc/44/01/00/1079440100.db2.gz CPTVPGJTMBONNK-QGZVFWFLSA-N 1 0 410.518 2.461 20 10 HECDRO COc1ccc(N2CCC(NC(=O)N3CCC([N@H+](C)CCCO)CC3)CC2)cc1 ZINC000741086153 1076350001 /nfs/dbraw/zinc/35/00/01/1076350001.db2.gz XNDWDRLEZHESAI-UHFFFAOYSA-N 1 0 404.555 2.152 20 10 HECDRO C[C@@H](CNC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)[NH+]1CCC(C)CC1 ZINC000743334142 1077029895 /nfs/dbraw/zinc/02/98/95/1077029895.db2.gz OOGCBGHJSBSEIN-AZUAARDMSA-N 1 0 415.582 2.308 20 10 HECDRO COCCC[N@H+](C)CCNC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000743555268 1077068209 /nfs/dbraw/zinc/06/82/09/1077068209.db2.gz UOPPIZLHSAAABK-IAGOWNOFSA-N 1 0 410.534 2.207 20 10 HECDRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCc2c(O)ccc3c2CCCC3)CC1 ZINC000743597723 1077078398 /nfs/dbraw/zinc/07/83/98/1077078398.db2.gz FHQIQUKICYQZAL-UHFFFAOYSA-N 1 0 402.539 2.013 20 10 HECDRO CC[N@H+](Cc1cc(Br)ccc1O)[C@H](C)C(=O)N(C)CC(=O)NC1CC1 ZINC000743874685 1077158087 /nfs/dbraw/zinc/15/80/87/1077158087.db2.gz YZTRZQFATDFWCM-GFCCVEGCSA-N 1 0 412.328 2.102 20 10 HECDRO CC[N@H+](C)C[C@H]1CCN(CC(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)C1 ZINC000744424079 1077386876 /nfs/dbraw/zinc/38/68/76/1077386876.db2.gz SHNKCZNCPVHHAU-WSTZPKSXSA-N 1 0 420.573 2.329 20 10 HECDRO C[C@H](c1ccccc1)[C@H](CO)[NH2+]CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000766979235 1079575800 /nfs/dbraw/zinc/57/58/00/1079575800.db2.gz GMQQAXOSNMFTCP-UTKZUKDTSA-N 1 0 415.509 2.033 20 10 HECDRO CC[C@H]1CCCCN1C(=O)C(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000785529141 1080039336 /nfs/dbraw/zinc/03/93/36/1080039336.db2.gz LOQMEUAEATUANW-IBGZPJMESA-N 1 0 416.566 2.115 20 10 HECDRO CC[C@@H]1CCCCN1C(=O)C(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000785529144 1080039449 /nfs/dbraw/zinc/03/94/49/1080039449.db2.gz LOQMEUAEATUANW-LJQANCHMSA-N 1 0 416.566 2.115 20 10 HECDRO Nc1ccccc1S(=O)(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000767836257 1080154160 /nfs/dbraw/zinc/15/41/60/1080154160.db2.gz OAUZESXHEWPXGW-UHFFFAOYSA-N 1 0 400.548 2.279 20 10 HECDRO CC[C@]1(C)CN(C(=O)NCCC[NH+]2CCN(c3ccc(OC)cc3)CC2)CCO1 ZINC000785861649 1080285430 /nfs/dbraw/zinc/28/54/30/1080285430.db2.gz DZYMLUHFHQHEBL-JOCHJYFZSA-N 1 0 404.555 2.418 20 10 HECDRO COc1ccc(N2CCN(C(=O)CN3CC[C@@H](C[N@H+](C)CC4CC4)C3)CC2)cc1 ZINC000746494563 1080357147 /nfs/dbraw/zinc/35/71/47/1080357147.db2.gz JOZDMIQYLHOKCK-FQEVSTJZSA-N 1 0 400.567 2.008 20 10 HECDRO O=C(Nc1ccc2c(c1)OCO2)C1CC[NH+](Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000768440780 1080561213 /nfs/dbraw/zinc/56/12/13/1080561213.db2.gz DPRSBLPKTOBYNP-SFHVURJKSA-N 1 0 412.442 2.397 20 10 HECDRO c1cc(N2CCOCC2)nc(NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)n1 ZINC000768528749 1080612925 /nfs/dbraw/zinc/61/29/25/1080612925.db2.gz VRZKLGXNFQIPAD-UHFFFAOYSA-N 1 0 408.550 2.457 20 10 HECDRO C[C@@H](C1CC1)N(C)S(=O)(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768574827 1080640373 /nfs/dbraw/zinc/64/03/73/1080640373.db2.gz AYIZTIILDHOHHZ-KRWDZBQOSA-N 1 0 406.596 2.283 20 10 HECDRO O=S(=O)(CC[C@H]1CCCO1)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768575128 1080640414 /nfs/dbraw/zinc/64/04/14/1080640414.db2.gz GVEIBPABDZRQSS-OAQYLSRUSA-N 1 0 407.580 2.207 20 10 HECDRO CCn1cc(S(=O)(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)nc1C ZINC000768575559 1080641635 /nfs/dbraw/zinc/64/16/35/1080641635.db2.gz LWGGXBOGZKHDOV-UHFFFAOYSA-N 1 0 417.579 2.222 20 10 HECDRO Cn1cc(CCCNC(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)cn1 ZINC000768713367 1080729058 /nfs/dbraw/zinc/72/90/58/1080729058.db2.gz HIPRXLOSFYBDTH-UHFFFAOYSA-N 1 0 410.566 2.384 20 10 HECDRO O=C(NCCOC[C@@H]1CCCO1)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768727108 1080755862 /nfs/dbraw/zinc/75/58/62/1080755862.db2.gz GUJTYDHWVAUUHL-QFIPXVFZSA-N 1 0 416.566 2.213 20 10 HECDRO COCCn1ccc(NC(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)n1 ZINC000768884402 1080831754 /nfs/dbraw/zinc/83/17/54/1080831754.db2.gz HAXDUIWFLLFUON-UHFFFAOYSA-N 1 0 412.538 2.383 20 10 HECDRO NC(=O)[C@@H]1CCC[C@@H](NC(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)C1 ZINC000768943428 1080845562 /nfs/dbraw/zinc/84/55/62/1080845562.db2.gz HEYRVFINFUWEHD-WOJBJXKFSA-N 1 0 413.566 2.062 20 10 HECDRO CS[C@@H](CO)[C@@H](C)NC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768943115 1080845567 /nfs/dbraw/zinc/84/55/67/1080845567.db2.gz DCUXQLQTXHNNHR-UZLBHIALSA-N 1 0 406.596 2.130 20 10 HECDRO Cc1nnc2ccc(C(=O)NCc3ccc(N4CC[NH+](CC5CC5)CC4)cc3)cn12 ZINC000768911026 1080850984 /nfs/dbraw/zinc/85/09/84/1080850984.db2.gz KSDTZBNVQIOXIW-UHFFFAOYSA-N 1 0 404.518 2.500 20 10 HECDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000768912670 1080851313 /nfs/dbraw/zinc/85/13/13/1080851313.db2.gz AXJWWGSNSPNIKR-QFIPXVFZSA-N 1 0 424.589 2.483 20 10 HECDRO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1cnc2n(c1=O)CCS2 ZINC000768913424 1080852501 /nfs/dbraw/zinc/85/25/01/1080852501.db2.gz ZUFHFZGMTFSOTQ-AWEZNQCLSA-N 1 0 420.922 2.102 20 10 HECDRO O=C(CNC(=O)OCC(F)(F)F)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000768911888 1080852607 /nfs/dbraw/zinc/85/26/07/1080852607.db2.gz JJHULQAIMZGSJW-ZDUSSCGKSA-N 1 0 423.819 2.415 20 10 HECDRO CC[NH+]1CCN(c2ccc(CNC(=O)N(C)CCCn3ccnc3)cc2F)CC1 ZINC000769101354 1080911505 /nfs/dbraw/zinc/91/15/05/1080911505.db2.gz GGIZLTUZXKCRRB-UHFFFAOYSA-N 1 0 402.518 2.396 20 10 HECDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000787107504 1081018403 /nfs/dbraw/zinc/01/84/03/1081018403.db2.gz MSCIKDQPOWWKQQ-HXUWFJFHSA-N 1 0 417.550 2.281 20 10 HECDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)OCc2nc(-c3nc[nH]n3)no2)C1 ZINC000769665152 1078503852 /nfs/dbraw/zinc/50/38/52/1078503852.db2.gz QNBRVAWBVZOGRP-UHFFFAOYSA-N 1 0 421.461 2.319 20 10 HECDRO CCS(=O)(=O)NCCCOC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000769664241 1078503105 /nfs/dbraw/zinc/50/31/05/1078503105.db2.gz BYHZCKXKXNOPKW-UHFFFAOYSA-N 1 0 421.563 2.280 20 10 HECDRO COc1ccc(-n2c(C)cc(C(=O)N3CCN(C(=O)[C@@H]4CCC[N@@H+]4C)CC3)c2C)cc1 ZINC000766333132 1078503194 /nfs/dbraw/zinc/50/31/94/1078503194.db2.gz GPEAZLFNASTCPK-QFIPXVFZSA-N 1 0 424.545 2.481 20 10 HECDRO C[NH+]1CCC(N(Cc2ccco2)C(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1 ZINC000769842914 1078604305 /nfs/dbraw/zinc/60/43/05/1078604305.db2.gz QVIDXNPZZJHBBW-UHFFFAOYSA-N 1 0 407.492 2.093 20 10 HECDRO CC[NH+]1CCN(c2cccc(NS(=O)(=O)c3ccc(S(C)(=O)=O)cc3)c2)CC1 ZINC000769849609 1078608166 /nfs/dbraw/zinc/60/81/66/1078608166.db2.gz XFNQQBYZUPMWBB-UHFFFAOYSA-N 1 0 423.560 2.033 20 10 HECDRO C[C@@H](NC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)c1ccc(N2CCOCC2)cc1 ZINC000745779596 1078638754 /nfs/dbraw/zinc/63/87/54/1078638754.db2.gz PAIIAISZLPPZIC-NQIIRXRSSA-N 1 0 404.555 2.336 20 10 HECDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000745831990 1078667017 /nfs/dbraw/zinc/66/70/17/1078667017.db2.gz ZAZVJYSVTAFFSJ-FQEVSTJZSA-N 1 0 415.582 2.406 20 10 HECDRO CCOc1cccc(C[NH+]2CCN(c3ccc(NS(C)(=O)=O)cc3)CC2)c1O ZINC000770395831 1078841915 /nfs/dbraw/zinc/84/19/15/1078841915.db2.gz VSCCKHNZLFDPRI-UHFFFAOYSA-N 1 0 405.520 2.485 20 10 HECDRO COc1ccc(N2CCN(CCNC(=O)N(C)CC[C@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000745784013 1078919232 /nfs/dbraw/zinc/91/92/32/1078919232.db2.gz KSGBTAACKNJOQU-HXUWFJFHSA-N 1 0 417.598 2.333 20 10 HECDRO C[C@H]1CN(c2ccc(CNC(=O)CN(C)CC[N@H+](C)C3CC3)cc2F)C[C@H](C)O1 ZINC000770686256 1078934526 /nfs/dbraw/zinc/93/45/26/1078934526.db2.gz XBCVKRADALMOIU-IRXDYDNUSA-N 1 0 406.546 2.082 20 10 HECDRO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1ccc(-n2ccnc2)nn1 ZINC000771058907 1079120214 /nfs/dbraw/zinc/12/02/14/1079120214.db2.gz OPRBFELIPHAVPO-MRXNPFEDSA-N 1 0 412.881 2.416 20 10 HECDRO COc1ccc(C[NH2+][C@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)cc1C ZINC001169184607 1079195052 /nfs/dbraw/zinc/19/50/52/1079195052.db2.gz QYVBOTNCWUBCAI-MRXNPFEDSA-N 1 0 413.522 2.099 20 10 HECDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCN3C(=O)OCC[C@H]3C2)C1 ZINC000766852980 1079440048 /nfs/dbraw/zinc/44/00/48/1079440048.db2.gz CPTVPGJTMBONNK-KRWDZBQOSA-N 1 0 410.518 2.461 20 10 HECDRO C[C@@H](C(=O)NC(=O)NCc1ccccc1)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000741737021 1076615641 /nfs/dbraw/zinc/61/56/41/1076615641.db2.gz XVXGTOAPQNFWCF-SFHVURJKSA-N 1 0 410.518 2.370 20 10 HECDRO CC[NH+]1CCN(c2ccc(CNS(=O)(=O)c3cnn(C(C)C)c3)cc2F)CC1 ZINC000742292993 1076819100 /nfs/dbraw/zinc/81/91/00/1076819100.db2.gz GJWMVEQDLUIDSC-UHFFFAOYSA-N 1 0 409.531 2.224 20 10 HECDRO COc1ccc(N2CCN(CCNC(=O)NC3CC[NH+](CC(C)C)CC3)CC2)cc1 ZINC000743358979 1077031687 /nfs/dbraw/zinc/03/16/87/1077031687.db2.gz PJZOARGXUASBML-UHFFFAOYSA-N 1 0 417.598 2.237 20 10 HECDRO COCC[N@H+](C)CCNC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000743594330 1077077627 /nfs/dbraw/zinc/07/76/27/1077077627.db2.gz UBWJVNJSCFNYHK-HNNXBMFYSA-N 1 0 400.470 2.134 20 10 HECDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 ZINC000743736431 1077105016 /nfs/dbraw/zinc/10/50/16/1077105016.db2.gz XPOFLBQKYJCURD-KRWDZBQOSA-N 1 0 403.504 2.110 20 10 HECDRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)Nc3ccc4n[nH]cc4c3)cc2F)CC1 ZINC000743907621 1077220583 /nfs/dbraw/zinc/22/05/83/1077220583.db2.gz VYENFVUBCYJLGQ-UHFFFAOYSA-N 1 0 424.480 2.099 20 10 HECDRO Cc1cc2ncc([C@H](C)[NH2+]Cc3ccc(N4CCS(=O)(=O)CC4)cc3)c(C)n2n1 ZINC000772456012 1079862213 /nfs/dbraw/zinc/86/22/13/1079862213.db2.gz PTJXPALYOBOPRN-INIZCTEOSA-N 1 0 413.547 2.432 20 10 HECDRO CC1CC[NH+](CCCNC(=O)C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)CC1 ZINC000785519825 1080032788 /nfs/dbraw/zinc/03/27/88/1080032788.db2.gz IGJLCFJGRCWKKZ-HXUWFJFHSA-N 1 0 417.550 2.138 20 10 HECDRO CC1CC[NH+](CCCNC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CC1 ZINC000785521158 1080033322 /nfs/dbraw/zinc/03/33/22/1080033322.db2.gz TWVLXJBLXRUXKB-UHFFFAOYSA-N 1 0 400.567 2.482 20 10 HECDRO CCOC(=O)c1cnn2c1[nH]c(CN1CC[C@@H]([N@H+](C)Cc3ccccc3)C1)cc2=O ZINC000746485644 1080056717 /nfs/dbraw/zinc/05/67/17/1080056717.db2.gz ZKWZAFLFEIVXHH-GOSISDBHSA-N 1 0 409.490 2.318 20 10 HECDRO COCc1ncsc1C(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000785724015 1080200013 /nfs/dbraw/zinc/20/00/13/1080200013.db2.gz NNUVVEXWAYEFAV-UHFFFAOYSA-N 1 0 404.536 2.240 20 10 HECDRO C[C@H](NC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1ccc(N2CCOCC2)cc1 ZINC000767937859 1080233058 /nfs/dbraw/zinc/23/30/58/1080233058.db2.gz ITAUBUZZSPPNKS-WTOYTKOKSA-N 1 0 416.566 2.261 20 10 HECDRO CC[NH+]1CCN(c2ccc(CNC(=O)N[C@@H]3CCCC4(C3)OCCO4)cc2F)CC1 ZINC000768331273 1080490466 /nfs/dbraw/zinc/49/04/66/1080490466.db2.gz WWIKBKRVRCDKTK-GOSISDBHSA-N 1 0 420.529 2.453 20 10 HECDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1nc2ccccc2c(=O)[nH]1 ZINC000768402104 1080525902 /nfs/dbraw/zinc/52/59/02/1080525902.db2.gz OMBCKJHYCOWBBO-UHFFFAOYSA-N 1 0 417.513 2.385 20 10 HECDRO C[N@H+](CCCOc1cccc(S(C)(=O)=O)c1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768443900 1080563417 /nfs/dbraw/zinc/56/34/17/1080563417.db2.gz IRQQSXPNOHPFJX-IBGZPJMESA-N 1 0 407.488 2.122 20 10 HECDRO COc1cc(C[NH+]2CCN(CCNC(=O)c3ccccc3F)CC2)c(O)cc1C ZINC000768453459 1080569610 /nfs/dbraw/zinc/56/96/10/1080569610.db2.gz XVBIGAMEARQSND-UHFFFAOYSA-N 1 0 401.482 2.396 20 10 HECDRO CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768713628 1080730622 /nfs/dbraw/zinc/73/06/22/1080730622.db2.gz MOPAGKCYCSHRPG-QZTJIDSGSA-N 1 0 415.582 2.321 20 10 HECDRO CN(Cc1ccccc1O)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000786793634 1080825747 /nfs/dbraw/zinc/82/57/47/1080825747.db2.gz QIWUTYFXHYAUEA-UHFFFAOYSA-N 1 0 422.507 2.167 20 10 HECDRO CC(C)[C@H](C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)N1CCCC1=O ZINC000768912084 1080852438 /nfs/dbraw/zinc/85/24/38/1080852438.db2.gz WGZOQBIYPPGOPY-HSZRJFAPSA-N 1 0 412.578 2.482 20 10 HECDRO CCC(=O)N1CSC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000768914619 1080853701 /nfs/dbraw/zinc/85/37/01/1080853701.db2.gz FSCDBQVRVDAGTL-HOTGVXAUSA-N 1 0 411.955 2.438 20 10 HECDRO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1sccc1-n1cnnn1 ZINC000768914594 1080854405 /nfs/dbraw/zinc/85/44/05/1080854405.db2.gz FPDNGTQYUZDXKY-CQSZACIVSA-N 1 0 418.910 2.477 20 10 HECDRO COC(=O)CSCCC(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000768917004 1080855869 /nfs/dbraw/zinc/85/58/69/1080855869.db2.gz VKSSBZCGBMPINN-HNNXBMFYSA-N 1 0 400.928 2.423 20 10 HECDRO CCOC(=O)c1cnn2c1[nH]c(COC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)cc2=O ZINC000786880354 1080884449 /nfs/dbraw/zinc/88/44/49/1080884449.db2.gz INNTZBIGGXYTNS-INIZCTEOSA-N 1 0 402.451 2.062 20 10 HECDRO COc1cccc(C[N@@H+]2CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)c1O ZINC000769192663 1080967780 /nfs/dbraw/zinc/96/77/80/1080967780.db2.gz PLUDOPQOEMSAGI-INIZCTEOSA-N 1 0 407.511 2.254 20 10 HECDRO COc1ccc(N2CCC(NC(=O)NC3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)CC2)cc1 ZINC000769153503 1080972871 /nfs/dbraw/zinc/97/28/71/1080972871.db2.gz HWBNZYYHFRPYAC-VXKWHMMOSA-N 1 0 416.566 2.341 20 10 HECDRO COc1ccc(N2CCCN(C(=O)NC3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)CC2)cc1 ZINC000769157646 1080975336 /nfs/dbraw/zinc/97/53/36/1080975336.db2.gz XRGREONCMCHGHJ-FGZHOGPDSA-N 1 0 416.566 2.295 20 10 HECDRO O=C(NCc1ccc(F)cc1)C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000769165965 1080982490 /nfs/dbraw/zinc/98/24/90/1080982490.db2.gz XNQBDSZIVULULI-UHFFFAOYSA-N 1 0 424.520 2.290 20 10 HECDRO C[C@@H](NC(=O)C(=O)NCc1ccc(OCC[NH+](C)C)cc1)c1ccc(N(C)C)cc1 ZINC000787175099 1081045534 /nfs/dbraw/zinc/04/55/34/1081045534.db2.gz NBTOKBDKFZYBRB-QGZVFWFLSA-N 1 0 412.534 2.187 20 10 HECDRO COc1ccc(N2CC[NH+](CCCNC(=O)N[C@@H](CCO)c3ccco3)CC2)cc1 ZINC000769497354 1081097955 /nfs/dbraw/zinc/09/79/55/1081097955.db2.gz WTFMYTMZJKXBKR-FQEVSTJZSA-N 1 0 416.522 2.223 20 10 HECDRO Cc1ccc(S(=O)(=O)NCC[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000769499815 1081098438 /nfs/dbraw/zinc/09/84/38/1081098438.db2.gz RAMWFAYGDDMTGL-UHFFFAOYSA-N 1 0 403.548 2.242 20 10 HECDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)OCC(=O)NC[C@@H]2CCCO2)C1 ZINC000769665605 1078505629 /nfs/dbraw/zinc/50/56/29/1078505629.db2.gz VPEVUUSZVWAMLN-KRWDZBQOSA-N 1 0 413.518 2.246 20 10 HECDRO CC[C@@]1(C)NC(=O)N(NC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)C1=O ZINC000769855731 1078579569 /nfs/dbraw/zinc/57/95/69/1078579569.db2.gz RPXNNXYBVCUMHH-JOCHJYFZSA-N 1 0 411.506 2.160 20 10 HECDRO C[C@H](NC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)c1ccc(N2CCOCC2)cc1 ZINC000745779595 1078638719 /nfs/dbraw/zinc/63/87/19/1078638719.db2.gz PAIIAISZLPPZIC-GHTZIAJQSA-N 1 0 404.555 2.336 20 10 HECDRO CC[NH+]1CCC(CCNC(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC000745784151 1078641990 /nfs/dbraw/zinc/64/19/90/1078641990.db2.gz NSTRMSVVACSHHQ-UHFFFAOYSA-N 1 0 417.598 2.238 20 10 HECDRO COc1ccc(N2CCC(NC(=O)N(CC[NH+](C)C)C[C@@H]3CCCO3)CC2)cc1 ZINC000745799503 1078651834 /nfs/dbraw/zinc/65/18/34/1078651834.db2.gz IPMYJQVZHQLCFH-NRFANRHFSA-N 1 0 404.555 2.416 20 10 HECDRO CCN1CC[NH+](C[C@@H](C)CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)CC1 ZINC000745863110 1078678251 /nfs/dbraw/zinc/67/82/51/1078678251.db2.gz RAIMKVRNNJGDRU-FPOVZHCZSA-N 1 0 418.582 2.356 20 10 HECDRO CCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(N3CC[NH+](CC)CC3)c2)cc1 ZINC000770286038 1078808001 /nfs/dbraw/zinc/80/80/01/1078808001.db2.gz JZDYFCBPPGWFPA-UHFFFAOYSA-N 1 0 416.547 2.379 20 10 HECDRO CCOc1ccc(O)c(C[NH+]2CCN(c3ccc(NS(C)(=O)=O)cc3)CC2)c1 ZINC000770396173 1078841857 /nfs/dbraw/zinc/84/18/57/1078841857.db2.gz YHZJIUWXYVFBRU-UHFFFAOYSA-N 1 0 405.520 2.485 20 10 HECDRO COc1ccc(N2CCN(C[C@H](O)C[N@@H+]3CC[C@@]4(C3)OCc3ccccc34)CC2)cc1 ZINC000770687302 1078935930 /nfs/dbraw/zinc/93/59/30/1078935930.db2.gz DYAWPULIRWLTFV-DHLKQENFSA-N 1 0 423.557 2.310 20 10 HECDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NC2CCN(c3ccc(OC)cc3)CC2)C[C@@H]1C ZINC000804318351 1079264543 /nfs/dbraw/zinc/26/45/43/1079264543.db2.gz IIZCRMRXSGUHKB-FXAWDEMLSA-N 1 0 416.566 2.111 20 10 HECDRO CN(CCc1cnccn1)C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000771424801 1079337288 /nfs/dbraw/zinc/33/72/88/1079337288.db2.gz APGXUAVSKAGNLP-UHFFFAOYSA-N 1 0 408.550 2.393 20 10 HECDRO CC[NH+]1CCN(c2cccc(NC(=O)c3cc(NS(C)(=O)=O)ccc3O)c2)CC1 ZINC000771635097 1079442642 /nfs/dbraw/zinc/44/26/42/1079442642.db2.gz DVHURORYPCDGOK-UHFFFAOYSA-N 1 0 418.519 2.158 20 10 HECDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)CC[C@H]21 ZINC000766880256 1079474773 /nfs/dbraw/zinc/47/47/73/1079474773.db2.gz KYPIOZASHYSTEN-SFHLNBCPSA-N 1 0 413.566 2.014 20 10 HECDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)CC[C@@H]21 ZINC000766880248 1079474826 /nfs/dbraw/zinc/47/48/26/1079474826.db2.gz KYPIOZASHYSTEN-DYXWJJEUSA-N 1 0 413.566 2.014 20 10 HECDRO CC[C@@H](NC(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1)[C@@H](O)C(F)(F)F ZINC000766248820 1076140735 /nfs/dbraw/zinc/14/07/35/1076140735.db2.gz PRDYNNIQLYDVQZ-NVXWUHKLSA-N 1 0 420.451 2.469 20 10 HECDRO CC[N@@H+]1C[C@H](C)N(CC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)C[C@H]1C ZINC000766252515 1076162598 /nfs/dbraw/zinc/16/25/98/1076162598.db2.gz GWWJJWYFSVPKTD-XWSJACJDSA-N 1 0 420.573 2.470 20 10 HECDRO C[C@@H]1CN(c2ccc(CNC(=O)CN(C)[C@@H]3CC[N@H+](C)[C@H](C)C3)cc2F)C[C@@H](C)O1 ZINC000741790087 1076628704 /nfs/dbraw/zinc/62/87/04/1076628704.db2.gz AZYHTTFVLTVODG-SOAMZJECSA-N 1 0 420.573 2.470 20 10 HECDRO C[C@H](C[NH+]1CCOCC1)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000767173982 1079708226 /nfs/dbraw/zinc/70/82/26/1079708226.db2.gz PTNGIJWAMFPYNG-OAHLLOKOSA-N 1 0 415.456 2.127 20 10 HECDRO O=C(NCc1ccccc1O)C(=O)Nc1ccnn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000772477429 1079896782 /nfs/dbraw/zinc/89/67/82/1079896782.db2.gz RMLVMHUBMIFGOO-IBGZPJMESA-N 1 0 419.485 2.291 20 10 HECDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H](O)Cc3cccc(OC)c3)cc2F)CC1 ZINC000785587091 1080062221 /nfs/dbraw/zinc/06/22/21/1080062221.db2.gz DCMFBOJPQANMJF-QFIPXVFZSA-N 1 0 415.509 2.196 20 10 HECDRO COc1cc(O)c(C[NH2+]C[C@@H]2CCn3ncc(C(=O)NC(C)C)c3C2)cc1OC ZINC000786002927 1080365617 /nfs/dbraw/zinc/36/56/17/1080365617.db2.gz OYGOSMGIGYTQNE-CQSZACIVSA-N 1 0 402.495 2.096 20 10 HECDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC(n3cc([C@H](C)O)nn3)C2)C1 ZINC000768186509 1080402626 /nfs/dbraw/zinc/40/26/26/1080402626.db2.gz XSXHWZKCYCPJLI-INIZCTEOSA-N 1 0 422.533 2.136 20 10 HECDRO CC(C)C(=O)NCCCNC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768740614 1080765908 /nfs/dbraw/zinc/76/59/08/1080765908.db2.gz CCKYZTYQWKJWER-UHFFFAOYSA-N 1 0 415.582 2.180 20 10 HECDRO COC(=O)C(C)(C)CNC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768744397 1080767598 /nfs/dbraw/zinc/76/75/98/1080767598.db2.gz YKKCYQJJXYOZNN-UHFFFAOYSA-N 1 0 402.539 2.217 20 10 HECDRO CCC(CC)CNC(=O)C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000786771106 1080812335 /nfs/dbraw/zinc/81/23/35/1080812335.db2.gz UKLMFNGMNMNVHK-UHFFFAOYSA-N 1 0 400.567 2.387 20 10 HECDRO COC(=O)[C@@H]1CCN(C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)[C@@H]1C ZINC000786802622 1080835541 /nfs/dbraw/zinc/83/55/41/1080835541.db2.gz YMKILCHUAZIOEH-DYESRHJHSA-N 1 0 414.550 2.312 20 10 HECDRO CC(C)[C@@H](C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)N1CCCC1=O ZINC000768912087 1080852521 /nfs/dbraw/zinc/85/25/21/1080852521.db2.gz WGZOQBIYPPGOPY-QHCPKHFHSA-N 1 0 412.578 2.482 20 10 HECDRO Cc1nc(SCC(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)n[nH]1 ZINC000768914889 1080855362 /nfs/dbraw/zinc/85/53/62/1080855362.db2.gz JDRQSSVLYINDTL-UHFFFAOYSA-N 1 0 400.552 2.054 20 10 HECDRO COC(=O)CSCCC(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000768917005 1080855984 /nfs/dbraw/zinc/85/59/84/1080855984.db2.gz VKSSBZCGBMPINN-OAHLLOKOSA-N 1 0 400.928 2.423 20 10 HECDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)N[C@H](CO)CC(F)(F)F ZINC000769061529 1080917522 /nfs/dbraw/zinc/91/75/22/1080917522.db2.gz RHZLZZWJDGMEHB-KRWDZBQOSA-N 1 0 414.472 2.331 20 10 HECDRO COc1ccc(N2CCCN(C(=O)NC3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)CC2)cc1 ZINC000769157647 1080975467 /nfs/dbraw/zinc/97/54/67/1080975467.db2.gz XRGREONCMCHGHJ-VXKWHMMOSA-N 1 0 416.566 2.295 20 10 HECDRO Cn1cc(C(=O)NCC2CC[NH+](Cc3ccc(N4CCOCC4)c(F)c3)CC2)cn1 ZINC000769229621 1081009616 /nfs/dbraw/zinc/00/96/16/1081009616.db2.gz PHRMLYAJXFSSEA-UHFFFAOYSA-N 1 0 415.513 2.038 20 10 HECDRO O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000787140115 1081024584 /nfs/dbraw/zinc/02/45/84/1081024584.db2.gz LRZVJRZFBDNBQQ-OAQYLSRUSA-N 1 0 424.524 2.185 20 10 HECDRO C[C@H](NC(=O)C(=O)NCc1ccc(OCC[NH+](C)C)cc1)c1ccc(N(C)C)cc1 ZINC000787175098 1081045326 /nfs/dbraw/zinc/04/53/26/1081045326.db2.gz NBTOKBDKFZYBRB-KRWDZBQOSA-N 1 0 412.534 2.187 20 10 HECDRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 ZINC000769533104 1081112548 /nfs/dbraw/zinc/11/25/48/1081112548.db2.gz ODUSIPNAUSZXRO-FQEVSTJZSA-N 1 0 415.538 2.324 20 10 HECDRO CC(C)[C@H](OC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2)C(=O)NC(N)=O ZINC000769663231 1078501568 /nfs/dbraw/zinc/50/15/68/1078501568.db2.gz NBVCVRFXVYTBGX-FQEVSTJZSA-N 1 0 414.506 2.171 20 10 HECDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000745691359 1078586359 /nfs/dbraw/zinc/58/63/59/1078586359.db2.gz JJBUYLCBLLMLEP-WOJBJXKFSA-N 1 0 415.582 2.404 20 10 HECDRO CC[NH+]1CCN(c2cccc(NS(=O)(=O)c3cnc4c(c3)c(C)nn4C)c2)CC1 ZINC000769848933 1078608918 /nfs/dbraw/zinc/60/89/18/1078608918.db2.gz SCJBQJRWSDEMIU-UHFFFAOYSA-N 1 0 414.535 2.219 20 10 HECDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000769957277 1078651909 /nfs/dbraw/zinc/65/19/09/1078651909.db2.gz KQUOZXBBOKUYKR-KXBFYZLASA-N 1 0 417.531 2.404 20 10 HECDRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)[C@@H](C)C1 ZINC000746313636 1078854141 /nfs/dbraw/zinc/85/41/41/1078854141.db2.gz GFMUHEPLGNVLRL-UGKGYDQZSA-N 1 0 417.598 2.189 20 10 HECDRO CN(C)c1ccc(CN(C)C(=O)C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000804278197 1079003232 /nfs/dbraw/zinc/00/32/32/1079003232.db2.gz QCPMGBRTQFHBHG-OAQYLSRUSA-N 1 0 408.546 2.349 20 10 HECDRO COc1ccc(N2CCN(C(=O)C[NH+]3CCC(N(C)CC(F)F)CC3)CC2)cc1 ZINC000746480894 1079037759 /nfs/dbraw/zinc/03/77/59/1079037759.db2.gz CGBKQRUZKPRDQB-UHFFFAOYSA-N 1 0 410.509 2.005 20 10 HECDRO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1ccc(-n2cnnn2)cc1 ZINC000771057393 1079118081 /nfs/dbraw/zinc/11/80/81/1079118081.db2.gz ITLMHMMYXBAYOI-QGZVFWFLSA-N 1 0 412.881 2.416 20 10 HECDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000804315852 1079236219 /nfs/dbraw/zinc/23/62/19/1079236219.db2.gz UABGXYJORSOFJR-LJQANCHMSA-N 1 0 416.566 2.161 20 10 HECDRO COc1ccc(N2CCC(NC(=O)C(=O)NCCC[NH+](C(C)C)C(C)C)CC2)cc1 ZINC000804319206 1079241289 /nfs/dbraw/zinc/24/12/89/1079241289.db2.gz KYWNKEYKNDRVAU-UHFFFAOYSA-N 1 0 418.582 2.405 20 10 HECDRO Oc1ccc2ccccc2c1C[NH+]1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000738289157 1075984949 /nfs/dbraw/zinc/98/49/49/1075984949.db2.gz LZTPRVXIYCRAAI-UHFFFAOYSA-N 1 0 405.502 2.494 20 10 HECDRO C[NH+](C)CC1CCN(c2ccc(NC(=O)C(=O)NCc3ccccc3O)cc2)CC1 ZINC000739081800 1076039494 /nfs/dbraw/zinc/03/94/94/1076039494.db2.gz SLZAWFHAIXXEAD-UHFFFAOYSA-N 1 0 410.518 2.425 20 10 HECDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3ccnc(N4CCCC4)n3)cc2F)CC1 ZINC000739565332 1076063565 /nfs/dbraw/zinc/06/35/65/1076063565.db2.gz WLZBIHOCDRELLB-UHFFFAOYSA-N 1 0 412.513 2.288 20 10 HECDRO CC[C@@H](NC(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1)[C@H](O)C(F)(F)F ZINC000766248829 1076136113 /nfs/dbraw/zinc/13/61/13/1076136113.db2.gz PRDYNNIQLYDVQZ-WBVHZDCISA-N 1 0 420.451 2.469 20 10 HECDRO CC[N@@H+]1C[C@H](C)N(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C[C@@H]1C ZINC000766250381 1076151214 /nfs/dbraw/zinc/15/12/14/1076151214.db2.gz LCMOJYGIYWONEM-LNLFQRSKSA-N 1 0 401.555 2.012 20 10 HECDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000741144669 1076391571 /nfs/dbraw/zinc/39/15/71/1076391571.db2.gz YWVWPBJLMQEUMH-UHFFFAOYSA-N 1 0 423.561 2.089 20 10 HECDRO COCC[N@@H+]1CC[C@H](NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1 ZINC000743626816 1077082860 /nfs/dbraw/zinc/08/28/60/1077082860.db2.gz NREPGVWNEDEOPR-HOTGVXAUSA-N 1 0 412.481 2.277 20 10 HECDRO COc1ccc(N2CC[NH+](CCCNC(=O)N[C@@H](C)c3cnn(C)c3)CC2)cc1 ZINC000743634569 1077085005 /nfs/dbraw/zinc/08/50/05/1077085005.db2.gz YRWISGACSWNZIH-KRWDZBQOSA-N 1 0 400.527 2.001 20 10 HECDRO CC[N@H+](Cc1cc(Br)ccc1O)[C@H](C)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000743874195 1077157744 /nfs/dbraw/zinc/15/77/44/1077157744.db2.gz VXLKBWXZWXGUSS-CHWSQXEVSA-N 1 0 412.328 2.089 20 10 HECDRO CCOC(=O)CNC(=O)C1CC[NH+](Cc2c(O)ccc3ccc(OC)cc32)CC1 ZINC000771864553 1079554722 /nfs/dbraw/zinc/55/47/22/1079554722.db2.gz QKQSQYBUXJEBSE-UHFFFAOYSA-N 1 0 400.475 2.445 20 10 HECDRO COc1ccc(N2CC[NH+](CCCNC(=O)C(=O)N(C)[C@@H](C)C(C)(C)C)CC2)cc1 ZINC000785527057 1080037924 /nfs/dbraw/zinc/03/79/24/1080037924.db2.gz JIKPTYCYKFMVFW-SFHVURJKSA-N 1 0 418.582 2.217 20 10 HECDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CCC(CCC(N)=O)CC3)cc2F)CC1 ZINC000768069398 1080305502 /nfs/dbraw/zinc/30/55/02/1080305502.db2.gz QPPJOSSTYGTEFI-UHFFFAOYSA-N 1 0 419.545 2.155 20 10 HECDRO CN(C)c1ccc(CN(C)C(=O)COC(=O)CC2([NH+]3CCOCC3)CCCC2)cc1 ZINC000786102584 1080397108 /nfs/dbraw/zinc/39/71/08/1080397108.db2.gz XZTDTMRCVHXRCJ-UHFFFAOYSA-N 1 0 417.550 2.289 20 10 HECDRO COC(CN(CCCO)C(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2)OC ZINC000768215506 1080418840 /nfs/dbraw/zinc/41/88/40/1080418840.db2.gz GOZNUIIRXMZSRS-UHFFFAOYSA-N 1 0 417.550 2.238 20 10 HECDRO COCCn1cc(NC(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)cn1 ZINC000768272556 1080454471 /nfs/dbraw/zinc/45/44/71/1080454471.db2.gz RPHVEFDYRCHKOD-UHFFFAOYSA-N 1 0 412.538 2.383 20 10 HECDRO COc1ccc(N2CCC(NC(=O)C(=O)NC3CC[NH+](CC(C)C)CC3)CC2)cc1 ZINC000786335833 1080567232 /nfs/dbraw/zinc/56/72/32/1080567232.db2.gz ZJJUFOMMJIVRAT-UHFFFAOYSA-N 1 0 416.566 2.017 20 10 HECDRO COC(=O)N[C@H](C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)C(C)C ZINC000768533506 1080614250 /nfs/dbraw/zinc/61/42/50/1080614250.db2.gz ZEAKUDYFMLHBJX-FQEVSTJZSA-N 1 0 402.539 2.215 20 10 HECDRO O=C(CNC(=O)c1cccc(F)c1)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768543472 1080645866 /nfs/dbraw/zinc/64/58/66/1080645866.db2.gz KIJWELFXQCMSBI-UHFFFAOYSA-N 1 0 424.520 2.404 20 10 HECDRO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000768712181 1080729228 /nfs/dbraw/zinc/72/92/28/1080729228.db2.gz AASRIBGBTPCEQY-LJQANCHMSA-N 1 0 421.457 2.119 20 10 HECDRO O=C(NCCOc1cccnc1)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768730624 1080758797 /nfs/dbraw/zinc/75/87/97/1080758797.db2.gz VVTVXGXUKVCVNM-UHFFFAOYSA-N 1 0 409.534 2.492 20 10 HECDRO C[NH+]1CCC(n2ccc(NC(=O)NCc3ccc(N4CCOCC4)c(F)c3)n2)CC1 ZINC000786692789 1080760478 /nfs/dbraw/zinc/76/04/78/1080760478.db2.gz BQKDPFBGUMTEPK-UHFFFAOYSA-N 1 0 416.501 2.447 20 10 HECDRO C[C@H](CO[C@@H]1CCOC1)NC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768743004 1080767118 /nfs/dbraw/zinc/76/71/18/1080767118.db2.gz ONRTUMUMXWJAPD-XMSQKQJNSA-N 1 0 416.566 2.212 20 10 HECDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)C(=O)Nc1ccc(F)nc1 ZINC000769026534 1080889086 /nfs/dbraw/zinc/88/90/86/1080889086.db2.gz WMHVJUZZGMVQGE-UHFFFAOYSA-N 1 0 411.481 2.008 20 10 HECDRO C[C@@H]1[C@@H](C)[S@@](=O)CCN1C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000769039543 1080892450 /nfs/dbraw/zinc/89/24/50/1080892450.db2.gz XGVVIKRSAPZXKI-WJXXOHKWSA-N 1 0 418.607 2.270 20 10 HECDRO C[C@@H](NC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)C(=O)NC(C)(C)C ZINC000769045972 1080893880 /nfs/dbraw/zinc/89/38/80/1080893880.db2.gz KNALXSJNCVVUFG-QGZVFWFLSA-N 1 0 415.582 2.321 20 10 HECDRO COC(=O)[C@H]1CCCN(C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)C1 ZINC000769049262 1080898372 /nfs/dbraw/zinc/89/83/72/1080898372.db2.gz XIJBYAUBVQYSJM-FQEVSTJZSA-N 1 0 414.550 2.313 20 10 HECDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)N[C@@H](CO)CC(F)(F)F ZINC000769061532 1080917290 /nfs/dbraw/zinc/91/72/90/1080917290.db2.gz RHZLZZWJDGMEHB-QGZVFWFLSA-N 1 0 414.472 2.331 20 10 HECDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C1 ZINC000769385721 1081060146 /nfs/dbraw/zinc/06/01/46/1081060146.db2.gz SQOZVSQXAUZTLG-MSOLQXFVSA-N 1 0 402.539 2.487 20 10 HECDRO CC[NH+]1CCN(c2ccc(CNC(=O)N[C@H](CCO)c3ccco3)cc2F)CC1 ZINC000769506710 1081100593 /nfs/dbraw/zinc/10/05/93/1081100593.db2.gz GNVASIFXJIBWDH-GOSISDBHSA-N 1 0 404.486 2.484 20 10 HECDRO CC[NH+]1CCN(c2ccc(CNC(=O)NC[C@](C)(O)c3ccco3)cc2F)CC1 ZINC000745807551 1078655220 /nfs/dbraw/zinc/65/52/20/1078655220.db2.gz DPLJGUPTCDSFRO-NRFANRHFSA-N 1 0 404.486 2.268 20 10 HECDRO COc1ccc(N2CCN(C(=O)c3cccc(CN4CC[NH+](C)CC4)c3)CC2)cc1 ZINC000746094502 1078784531 /nfs/dbraw/zinc/78/45/31/1078784531.db2.gz YGZBTALLXWCSDS-UHFFFAOYSA-N 1 0 408.546 2.405 20 10 HECDRO C[C@H](NC(=O)CC[NH+]1CCN(c2ccccn2)CC1)c1ccc(N2CCOCC2)cc1 ZINC000746167161 1078813860 /nfs/dbraw/zinc/81/38/60/1078813860.db2.gz AVULUXGGQJCBSY-FQEVSTJZSA-N 1 0 423.561 2.308 20 10 HECDRO CC[NH+]1CCN(c2cccc(NC(=O)c3ccc(S(N)(=O)=O)c(C)c3)c2)CC1 ZINC000770285834 1078808033 /nfs/dbraw/zinc/80/80/33/1078808033.db2.gz GEHBATKWSZHFFF-UHFFFAOYSA-N 1 0 402.520 2.037 20 10 HECDRO NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)N3CC[C@H](C[NH+]4CCCC4)C3)cc2)C1 ZINC000746413184 1078906744 /nfs/dbraw/zinc/90/67/44/1078906744.db2.gz CIJGWPLZSVIEKL-UXHICEINSA-N 1 0 413.566 2.016 20 10 HECDRO Cc1nc(C)c(CC(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)c(=O)[nH]1 ZINC000771054590 1079115559 /nfs/dbraw/zinc/11/55/59/1079115559.db2.gz AHAVPYKXTNSMKV-MRXNPFEDSA-N 1 0 404.898 2.481 20 10 HECDRO COCCn1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)ccc1=O ZINC000771065580 1079123262 /nfs/dbraw/zinc/12/32/62/1079123262.db2.gz NRUWQZAYSVQJTA-GOSISDBHSA-N 1 0 419.909 2.248 20 10 HECDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000804315849 1079236407 /nfs/dbraw/zinc/23/64/07/1079236407.db2.gz UABGXYJORSOFJR-IBGZPJMESA-N 1 0 416.566 2.161 20 10 HECDRO COc1ccc(N2CC[NH+](CCCNC(=O)N[C@@H](CO)c3ccsc3)CC2)cc1 ZINC000771295779 1079269568 /nfs/dbraw/zinc/26/95/68/1079269568.db2.gz LHEZNCXSGVUZHE-FQEVSTJZSA-N 1 0 418.563 2.302 20 10 HECDRO C[NH+]1CCN(c2ccc(C=Cc3nc4c(cnn4-c4ncccn4)c(=O)[nH]3)cc2)CC1 ZINC000771528829 1079371671 /nfs/dbraw/zinc/37/16/71/1079371671.db2.gz OAFFFYZWWNQWHE-YVMONPNESA-N 1 0 414.473 2.233 20 10 HECDRO CC[NH+]1CCN(c2cccc(NC(=O)c3ccc([C@]4(C)NC(=O)NC4=O)cc3)c2)CC1 ZINC000771638091 1079445175 /nfs/dbraw/zinc/44/51/75/1079445175.db2.gz ZGLZFORFZXQJSS-QHCPKHFHSA-N 1 0 421.501 2.135 20 10 HECDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3ccnc(-n4cccn4)c3)cc2F)CC1 ZINC000739554368 1076067219 /nfs/dbraw/zinc/06/72/19/1076067219.db2.gz CPOGHRGRPBIFJI-UHFFFAOYSA-N 1 0 408.481 2.478 20 10 HECDRO COc1ccc(N2CC[NH+](CCCNC(=O)NC[C@H](O)c3ccsc3)CC2)cc1 ZINC000740466963 1076183623 /nfs/dbraw/zinc/18/36/23/1076183623.db2.gz LTDGXFZKWXOQFL-FQEVSTJZSA-N 1 0 418.563 2.302 20 10 HECDRO C[NH+]1CCN(c2ncccc2CNC(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000740910784 1076302681 /nfs/dbraw/zinc/30/26/81/1076302681.db2.gz VLIAQCKBGIREFM-UHFFFAOYSA-N 1 0 406.534 2.209 20 10 HECDRO C[C@H](NC(=O)N1CCC([N@H+](C)CCCO)CC1)c1ccc(N2CCOCC2)cc1 ZINC000741080365 1076356635 /nfs/dbraw/zinc/35/66/35/1076356635.db2.gz ICLDXNYTXYVEJA-SFHVURJKSA-N 1 0 404.555 2.072 20 10 HECDRO COc1ccc(N2CCN(CCNC(=O)NCCC[N@@H+]3CCCC[C@@H]3C)CC2)cc1 ZINC000743318690 1077028121 /nfs/dbraw/zinc/02/81/21/1077028121.db2.gz DMXZAMCOFDRUEA-FQEVSTJZSA-N 1 0 417.598 2.381 20 10 HECDRO COc1ccc(N2CCN(CCNC(=O)NC[C@H](C)C[NH+]3CCCCC3)CC2)cc1 ZINC000743363207 1077033090 /nfs/dbraw/zinc/03/30/90/1077033090.db2.gz NLDQGVGQIRUPCH-FQEVSTJZSA-N 1 0 417.598 2.238 20 10 HECDRO C[NH+]1CCN(c2ncccc2CNC(=O)NCc2c(O)ccc3c2CCCC3)CC1 ZINC000743566281 1077070069 /nfs/dbraw/zinc/07/00/69/1077070069.db2.gz DVSFQQHWNJVLMR-UHFFFAOYSA-N 1 0 409.534 2.417 20 10 HECDRO CC[N@H+](CC(=O)NC(=O)NCC(F)(F)F)Cc1cc(Br)ccc1O ZINC000743870923 1077155682 /nfs/dbraw/zinc/15/56/82/1077155682.db2.gz HRWNTNVJRYPABA-UHFFFAOYSA-N 1 0 412.206 2.365 20 10 HECDRO C[NH+](C)CCOc1ccc(NC(=O)C(=O)NCc2c(O)ccc3c2CCCC3)cc1 ZINC000743958147 1077266328 /nfs/dbraw/zinc/26/63/28/1077266328.db2.gz NNMVGUBIKBIENY-UHFFFAOYSA-N 1 0 411.502 2.466 20 10 HECDRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000766330096 1077812483 /nfs/dbraw/zinc/81/24/83/1077812483.db2.gz RVFLNTMFOOJOOC-RTBURBONSA-N 1 0 423.579 2.457 20 10 HECDRO C[C@@H]1CN(c2ccc(CNC(=O)CN3CC[N@H+](C)CC3(C)C)cc2F)C[C@H](C)O1 ZINC000766999839 1079599160 /nfs/dbraw/zinc/59/91/60/1079599160.db2.gz XWSSAELPYLUMMC-CALCHBBNSA-N 1 0 406.546 2.082 20 10 HECDRO Oc1cc2c(cc1C[N@@H+]1CCCN(c3nnc(C(F)(F)F)s3)CC1)[C@@H](O)CO2 ZINC000786105364 1080398729 /nfs/dbraw/zinc/39/87/29/1080398729.db2.gz HLXURSQXSSBKAR-ZDUSSCGKSA-N 1 0 416.425 2.401 20 10 HECDRO CCN(CC)c1ccc(C[NH+]2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)cc1 ZINC000768347822 1080523872 /nfs/dbraw/zinc/52/38/72/1080523872.db2.gz VNGFISSEYOIVIZ-UHFFFAOYSA-N 1 0 400.567 2.469 20 10 HECDRO COc1cc(Br)cc(C[N@@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)c1O ZINC000768437714 1080558813 /nfs/dbraw/zinc/55/88/13/1080558813.db2.gz DQGUGKYTPQXEBA-CQSZACIVSA-N 1 0 421.357 2.457 20 10 HECDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H](CN3CCN(c4ccccn4)CC3)C1)[C@@H](O)CO2 ZINC000768443502 1080563969 /nfs/dbraw/zinc/56/39/69/1080563969.db2.gz FLKOGMYPDYSXPY-AVRDEDQJSA-N 1 0 424.545 2.247 20 10 HECDRO CCN1CCN(C(=O)CC2CC[NH+](Cc3cc(OC)c(OC)cc3O)CC2)CC1 ZINC000768449355 1080567441 /nfs/dbraw/zinc/56/74/41/1080567441.db2.gz GOJYYIWRDBBQGD-UHFFFAOYSA-N 1 0 405.539 2.176 20 10 HECDRO CCOC(=O)c1ccc(N2CCC[N@H+](Cc3cc4c(cc3O)OC[C@@H]4O)CC2)nc1 ZINC000768449696 1080567550 /nfs/dbraw/zinc/56/75/50/1080567550.db2.gz YNHOHMHTMPBCGA-IBGZPJMESA-N 1 0 413.474 2.102 20 10 HECDRO Cn1ncc2cc(C(=O)NCc3ccc(N4CC[NH+](CC5CC5)CC4)cc3)cnc21 ZINC000768533766 1080614240 /nfs/dbraw/zinc/61/42/40/1080614240.db2.gz SYODMUJROXOWSC-UHFFFAOYSA-N 1 0 404.518 2.430 20 10 HECDRO Cn1cnc(S(=O)(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)c1Cl ZINC000768577445 1080643182 /nfs/dbraw/zinc/64/31/82/1080643182.db2.gz XVOFRKCUVDCBBZ-UHFFFAOYSA-N 1 0 423.970 2.084 20 10 HECDRO C[C@H](NC(=O)c1ccoc1)C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768544068 1080645840 /nfs/dbraw/zinc/64/58/40/1080645840.db2.gz OLXDHEMPUIHOMP-KRWDZBQOSA-N 1 0 410.518 2.246 20 10 HECDRO COC(=O)c1ccc(C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)cn1 ZINC000768545161 1080646713 /nfs/dbraw/zinc/64/67/13/1080646713.db2.gz UOTXVDBUEBINRT-UHFFFAOYSA-N 1 0 408.502 2.330 20 10 HECDRO Cc1nn(C)c(C)c1OCC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768545199 1080646795 /nfs/dbraw/zinc/64/67/95/1080646795.db2.gz VLFLAHCAGCLROW-UHFFFAOYSA-N 1 0 411.550 2.264 20 10 HECDRO O=C(NCc1noc(C2CC2)n1)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768741862 1080766281 /nfs/dbraw/zinc/76/62/81/1080766281.db2.gz UKQWSIUGSCRVDO-UHFFFAOYSA-N 1 0 410.522 2.478 20 10 HECDRO C[C@@H](CO[C@@H]1CCOC1)NC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768742997 1080767177 /nfs/dbraw/zinc/76/71/77/1080767177.db2.gz ONRTUMUMXWJAPD-PGRDOPGGSA-N 1 0 416.566 2.212 20 10 HECDRO CS[C@H](CO)[C@@H](C)NC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768943109 1080845490 /nfs/dbraw/zinc/84/54/90/1080845490.db2.gz DCUXQLQTXHNNHR-OXQOHEQNSA-N 1 0 406.596 2.130 20 10 HECDRO Cc1nn2cccnc2c1C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768911023 1080850763 /nfs/dbraw/zinc/85/07/63/1080850763.db2.gz KLNAFKNORRSQCP-UHFFFAOYSA-N 1 0 404.518 2.500 20 10 HECDRO Cc1nc(C)c(CC(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)c(=O)[nH]1 ZINC000768913510 1080852579 /nfs/dbraw/zinc/85/25/79/1080852579.db2.gz KOUACVWENBNSSJ-UHFFFAOYSA-N 1 0 409.534 2.190 20 10 HECDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000768914601 1080854230 /nfs/dbraw/zinc/85/42/30/1080854230.db2.gz ZDSHHNXKFIXTSO-UHFFFAOYSA-N 1 0 411.462 2.157 20 10 HECDRO COc1ccc(N2CCN(C(=O)COC(=O)[C@H]3CCC[N@@H+]3C3CCCC3)CC2)cc1 ZINC000786884435 1080885607 /nfs/dbraw/zinc/88/56/07/1080885607.db2.gz PPXGVSAUGGJPGQ-OAQYLSRUSA-N 1 0 415.534 2.294 20 10 HECDRO Cc1ncccc1NC(=O)C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000769023776 1080887445 /nfs/dbraw/zinc/88/74/45/1080887445.db2.gz LIVNZRDPMGEOFZ-UHFFFAOYSA-N 1 0 407.518 2.177 20 10 HECDRO CC(=O)NC1CCN(C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)CC1 ZINC000769049623 1080894496 /nfs/dbraw/zinc/89/44/96/1080894496.db2.gz ZKPQSUJQSJQFNG-UHFFFAOYSA-N 1 0 413.566 2.029 20 10 HECDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 ZINC000769533107 1081112509 /nfs/dbraw/zinc/11/25/09/1081112509.db2.gz ODUSIPNAUSZXRO-HXUWFJFHSA-N 1 0 415.538 2.324 20 10 HECDRO CC[NH+]1CCN(c2ccccc2NC(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1 ZINC000769647316 1078482576 /nfs/dbraw/zinc/48/25/76/1078482576.db2.gz IZWQJUCKTLKIMD-UHFFFAOYSA-N 1 0 418.519 2.158 20 10 HECDRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000745593827 1078557032 /nfs/dbraw/zinc/55/70/32/1078557032.db2.gz YJCSQJSGJGKBAI-HXUWFJFHSA-N 1 0 406.596 2.492 20 10 HECDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000745691357 1078585914 /nfs/dbraw/zinc/58/59/14/1078585914.db2.gz JJBUYLCBLLMLEP-UXHICEINSA-N 1 0 415.582 2.404 20 10 HECDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000745691358 1078586468 /nfs/dbraw/zinc/58/64/68/1078586468.db2.gz JJBUYLCBLLMLEP-VQTJNVASSA-N 1 0 415.582 2.404 20 10 HECDRO CC[NH+]1CCN(c2ccc(CNC(=O)NC(C)(C)c3cnn(C)c3)cc2F)CC1 ZINC000745807570 1078655197 /nfs/dbraw/zinc/65/51/97/1078655197.db2.gz FBPBLGGVNUGVQD-UHFFFAOYSA-N 1 0 402.518 2.436 20 10 HECDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000745831992 1078666955 /nfs/dbraw/zinc/66/69/55/1078666955.db2.gz ZAZVJYSVTAFFSJ-HXUWFJFHSA-N 1 0 415.582 2.406 20 10 HECDRO CC[NH+]1CCN(c2cccc(NC(=O)c3ccc(OC)c(-n4cnnn4)c3)c2)CC1 ZINC000770145862 1078746560 /nfs/dbraw/zinc/74/65/60/1078746560.db2.gz ARNLJTUAZULQLW-UHFFFAOYSA-N 1 0 407.478 2.065 20 10 HECDRO CC[NH+]1CCN(c2cccc(NC(=O)c3ccc(S(N)(=O)=O)c(Cl)c3)c2)CC1 ZINC000770287002 1078808261 /nfs/dbraw/zinc/80/82/61/1078808261.db2.gz UVHMFBBDWKRQEI-UHFFFAOYSA-N 1 0 422.938 2.382 20 10 HECDRO CCn1c2ccc(C(=O)Nc3cccc(N4CC[NH+](CC)CC4)c3)cc2[nH]c(=O)c1=O ZINC000770286545 1078808635 /nfs/dbraw/zinc/80/86/35/1078808635.db2.gz NJHOZVXOHQYUBV-UHFFFAOYSA-N 1 0 421.501 2.104 20 10 HECDRO CC[NH+]1CCN(c2cccc(NC(=O)c3ccc(CN4C(=O)CNC4=O)cc3)c2)CC1 ZINC000770287214 1078808997 /nfs/dbraw/zinc/80/89/97/1078808997.db2.gz WEEOUNXJMSQQQY-UHFFFAOYSA-N 1 0 421.501 2.133 20 10 HECDRO CC[NH+]1CCN(c2ccc(CNc3nccc(N4CCOCC4)n3)cc2F)CC1 ZINC000770456277 1078862305 /nfs/dbraw/zinc/86/23/05/1078862305.db2.gz NDIUYHAPPACGBV-UHFFFAOYSA-N 1 0 400.502 2.206 20 10 HECDRO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000770627962 1078921723 /nfs/dbraw/zinc/92/17/23/1078921723.db2.gz CRZMFTKEUVTVIL-CQSZACIVSA-N 1 0 406.826 2.449 20 10 HECDRO COc1ccc(N2CCN(C[C@@H](O)C[N@@H+]3CC[C@]4(C3)OCc3ccccc34)CC2)cc1 ZINC000770687304 1078936133 /nfs/dbraw/zinc/93/61/33/1078936133.db2.gz DYAWPULIRWLTFV-RCZVLFRGSA-N 1 0 423.557 2.310 20 10 HECDRO NC(=O)c1ccc(OCC(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)cc1 ZINC000771051883 1079113928 /nfs/dbraw/zinc/11/39/28/1079113928.db2.gz CKRMHAUQZWPHBB-QGZVFWFLSA-N 1 0 417.893 2.304 20 10 HECDRO CCC[C@H]1CN(C(=O)NCc2ccc(N3CCOCC3)cc2)CC[N@@H+]1CCOC ZINC000766775023 1079357082 /nfs/dbraw/zinc/35/70/82/1079357082.db2.gz GAAKKOMJHGIQIB-NRFANRHFSA-N 1 0 404.555 2.166 20 10 HECDRO C[C@](CO)([NH2+]CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C1CCCCC1 ZINC000741054241 1076346197 /nfs/dbraw/zinc/34/61/97/1076346197.db2.gz LNJGEZVDBFZKSD-JOCHJYFZSA-N 1 0 407.530 2.199 20 10 HECDRO C[C@H](CNC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)[NH+]1CCC(C)CC1 ZINC000743334143 1077029817 /nfs/dbraw/zinc/02/98/17/1077029817.db2.gz OOGCBGHJSBSEIN-QUCCMNQESA-N 1 0 415.582 2.308 20 10 HECDRO COCC[N@@H+]1CC[C@@H](NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1 ZINC000743626818 1077082955 /nfs/dbraw/zinc/08/29/55/1077082955.db2.gz NREPGVWNEDEOPR-JKSUJKDBSA-N 1 0 412.481 2.277 20 10 HECDRO CC[N@H+](Cc1cc(Br)ccc1O)[C@@H](C)C(=O)N1CCC(C(N)=O)CC1 ZINC000743873043 1077157071 /nfs/dbraw/zinc/15/70/71/1077157071.db2.gz HFGLCNJBCDZTOK-LBPRGKRZSA-N 1 0 412.328 2.089 20 10 HECDRO COc1ccc(N2CC[NH+](CCCNC(=O)N3CCC[C@H](CCO)C3)CC2)cc1 ZINC000745349430 1077811577 /nfs/dbraw/zinc/81/15/77/1077811577.db2.gz HUPFTXQINJVTOW-LJQANCHMSA-N 1 0 404.555 2.011 20 10 HECDRO CN(C)c1ccc(C[N@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C2CC2)cc1 ZINC000771790846 1079508957 /nfs/dbraw/zinc/50/89/57/1079508957.db2.gz HNDBEYGKFSLQAD-UHFFFAOYSA-N 1 0 416.547 2.393 20 10 HECDRO COc1ccc(N2CC[NH+](CCCNC(=O)NC3C[C@@H](C)O[C@H](C)C3)CC2)cc1 ZINC000767316914 1079815013 /nfs/dbraw/zinc/81/50/13/1079815013.db2.gz FSCUMHMHAPCZFU-QZTJIDSGSA-N 1 0 404.555 2.463 20 10 HECDRO Cc1c(C(=O)Nc2cccc(N3CC[NH+](C(C)C)CC3)c2)cccc1S(N)(=O)=O ZINC000767935832 1080231061 /nfs/dbraw/zinc/23/10/61/1080231061.db2.gz LAYXCQJFFYFPIK-UHFFFAOYSA-N 1 0 416.547 2.425 20 10 HECDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC(n3cc([C@@H](C)O)nn3)C2)C1 ZINC000768186512 1080403352 /nfs/dbraw/zinc/40/33/52/1080403352.db2.gz XSXHWZKCYCPJLI-MRXNPFEDSA-N 1 0 422.533 2.136 20 10 HECDRO O=c1[nH]c(CN2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)nc2ccccc21 ZINC000768231449 1080433691 /nfs/dbraw/zinc/43/36/91/1080433691.db2.gz UVTVSNJCYRDGPU-UHFFFAOYSA-N 1 0 419.529 2.490 20 10 HECDRO O=C(NCc1ccc(F)cc1)C1CC[NH+](Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000768440019 1080560233 /nfs/dbraw/zinc/56/02/33/1080560233.db2.gz QYZNNVODIFLSBU-HXUWFJFHSA-N 1 0 400.450 2.486 20 10 HECDRO COc1cc(O)c(C[NH+]2CCC(NS(=O)(=O)c3cccs3)CC2)cc1OC ZINC000768443112 1080563015 /nfs/dbraw/zinc/56/30/15/1080563015.db2.gz ZDZILPXBPPWEDD-UHFFFAOYSA-N 1 0 412.533 2.414 20 10 HECDRO CNS(=O)(=O)c1ccc(NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)nc1 ZINC000768527190 1080612198 /nfs/dbraw/zinc/61/21/98/1080612198.db2.gz FPNMFWUFDYJAIT-UHFFFAOYSA-N 1 0 415.563 2.134 20 10 HECDRO O=S(=O)(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1cncc(F)c1 ZINC000768574850 1080640361 /nfs/dbraw/zinc/64/03/61/1080640361.db2.gz BLWIKWIKQWQOPO-UHFFFAOYSA-N 1 0 404.511 2.231 20 10 HECDRO CC(C)(C)CC(=O)NCC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768544666 1080646778 /nfs/dbraw/zinc/64/67/78/1080646778.db2.gz QOUOPFSJRZBJHP-UHFFFAOYSA-N 1 0 400.567 2.387 20 10 HECDRO NC(=O)c1cccc(NC(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)n1 ZINC000768904644 1080841397 /nfs/dbraw/zinc/84/13/97/1080841397.db2.gz XEASCRNTLQTADP-UHFFFAOYSA-N 1 0 408.506 2.034 20 10 HECDRO NC(=O)[C@H]1CCC[C@H](NC(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)C1 ZINC000768943421 1080845130 /nfs/dbraw/zinc/84/51/30/1080845130.db2.gz HEYRVFINFUWEHD-PMACEKPBSA-N 1 0 413.566 2.062 20 10 HECDRO CCC(=O)N1CCC[C@@H](C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)C1 ZINC000768911437 1080850987 /nfs/dbraw/zinc/85/09/87/1080850987.db2.gz OVUHSGCLNHGJBX-OAQYLSRUSA-N 1 0 412.578 2.483 20 10 HECDRO O=C(CCOC[C@@H]1CCCO1)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768912478 1080851378 /nfs/dbraw/zinc/85/13/78/1080851378.db2.gz ZNKORIAINZBLHP-QFIPXVFZSA-N 1 0 401.551 2.421 20 10 HECDRO CCc1nnc([C@@H](C)NC(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)[nH]1 ZINC000769058628 1080915169 /nfs/dbraw/zinc/91/51/69/1080915169.db2.gz YLROKMQZBANUOY-MRXNPFEDSA-N 1 0 411.554 2.460 20 10 HECDRO C[C@H](NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000787063956 1080975472 /nfs/dbraw/zinc/97/54/72/1080975472.db2.gz IROHRQXTWLGBLQ-MOPGFXCFSA-N 1 0 416.566 2.479 20 10 HECDRO COC(=O)c1cncc(C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)c1 ZINC000769165942 1080982796 /nfs/dbraw/zinc/98/27/96/1080982796.db2.gz WYXFDTRMVHTHRV-UHFFFAOYSA-N 1 0 408.502 2.330 20 10 HECDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C1 ZINC000769385723 1081059970 /nfs/dbraw/zinc/05/99/70/1081059970.db2.gz SQOZVSQXAUZTLG-ROUUACIJSA-N 1 0 402.539 2.487 20 10 HECDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C1 ZINC000769385722 1081060105 /nfs/dbraw/zinc/06/01/05/1081060105.db2.gz SQOZVSQXAUZTLG-QZTJIDSGSA-N 1 0 402.539 2.487 20 10 HECDRO CC[NH+]1CCN(c2ccc(CNC(=O)N[C@@H](CCO)c3ccco3)cc2F)CC1 ZINC000769506714 1081100558 /nfs/dbraw/zinc/10/05/58/1081100558.db2.gz GNVASIFXJIBWDH-SFHVURJKSA-N 1 0 404.486 2.484 20 10 HECDRO CN1CCc2nc(Cl)nc(N(Cc3cnc4n3CC[NH2+]CC4)c3ccccn3)c2C1 ZINC001164763086 721041309 /nfs/dbraw/zinc/04/13/09/721041309.db2.gz KBBVJCMHKHVXJI-UHFFFAOYSA-N 1 0 424.940 2.193 20 10 HECDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)OCC(=O)NC2CCOCC2)C1 ZINC000769662726 1078502302 /nfs/dbraw/zinc/50/23/02/1078502302.db2.gz GEYSTWPPGXYOIJ-UHFFFAOYSA-N 1 0 413.518 2.246 20 10 HECDRO CCN1CC[NH+](C[C@H](C)CNC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)CC1 ZINC000745778544 1078638738 /nfs/dbraw/zinc/63/87/38/1078638738.db2.gz DIMPXHXVASKAHW-WOJBJXKFSA-N 1 0 417.598 2.157 20 10 HECDRO CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H]1CC[N@H+](CCOC)C1 ZINC000745832284 1078667050 /nfs/dbraw/zinc/66/70/50/1078667050.db2.gz DDDYHHOYJQVEPG-HNNXBMFYSA-N 1 0 400.317 2.407 20 10 HECDRO CC[NH+]1CCN(c2cccc(NC(=O)c3cccc(S(=O)(=O)N(C)C)c3)c2)CC1 ZINC000770143624 1078746162 /nfs/dbraw/zinc/74/61/62/1078746162.db2.gz QHCDKRHVZBQVSE-UHFFFAOYSA-N 1 0 416.547 2.331 20 10 HECDRO C[C@@H]1CN(c2ccc(CNC(=O)CN(C)CC[N@H+](C)C3CC3)cc2F)C[C@@H](C)O1 ZINC000770686255 1078934690 /nfs/dbraw/zinc/93/46/90/1078934690.db2.gz XBCVKRADALMOIU-IAGOWNOFSA-N 1 0 406.546 2.082 20 10 HECDRO CCOC(=O)c1nn(C)cc1CNCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000770655022 1078941060 /nfs/dbraw/zinc/94/10/60/1078941060.db2.gz HOPNEGSEUWJTPL-UHFFFAOYSA-N 1 0 411.550 2.419 20 10 HECDRO COc1ccc(N2CCN(C(=O)CN3CCC[C@H]([NH+]4CCCC4)CC3)CC2)cc1 ZINC000738336197 1079037991 /nfs/dbraw/zinc/03/79/91/1079037991.db2.gz ZYUFTDMCSKGDHR-FQEVSTJZSA-N 1 0 400.567 2.294 20 10 HECDRO NC(=O)c1ccc(OCC(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)cc1 ZINC000771051881 1079114025 /nfs/dbraw/zinc/11/40/25/1079114025.db2.gz CKRMHAUQZWPHBB-KRWDZBQOSA-N 1 0 417.893 2.304 20 10 HECDRO C[C@H](NC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1)c1ccc(N2CCOCC2)cc1 ZINC000771308860 1079277595 /nfs/dbraw/zinc/27/75/95/1079277595.db2.gz BBCHZICQSJUAKW-IBGZPJMESA-N 1 0 417.598 2.300 20 10 HECDRO C[NH+]1CCN(c2ccc([C@H]3Nc4ccc(N5CCOCC5)cc4C(=O)N3)cc2)CC1 ZINC000771522007 1079370328 /nfs/dbraw/zinc/37/03/28/1079370328.db2.gz YHWRJMKRSIZEEG-QFIPXVFZSA-N 1 0 407.518 2.129 20 10 HECDRO C[NH+]1CCN(c2ccc(C=Cc3nc4c(cnn4-c4ncccn4)c(=O)[nH]3)cc2)CC1 ZINC000771528827 1079371678 /nfs/dbraw/zinc/37/16/78/1079371678.db2.gz OAFFFYZWWNQWHE-VMPITWQZSA-N 1 0 414.473 2.233 20 10 HECDRO CC[NH+]1CCN(c2cccc(NC(=O)c3cccc([C@@]4(C)NC(=O)NC4=O)c3)c2)CC1 ZINC000771636984 1079444603 /nfs/dbraw/zinc/44/46/03/1079444603.db2.gz MEESTBUBLRTORY-HSZRJFAPSA-N 1 0 421.501 2.135 20 10 HECDRO C[N@@H+]1CCC[C@H]2CN(C(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)CC[C@H]21 ZINC000766878936 1079473780 /nfs/dbraw/zinc/47/37/80/1079473780.db2.gz KRHXVYCQKGQYMJ-FXAWDEMLSA-N 1 0 404.530 2.413 20 10 HECDRO CCO[C@@H]1C[C@H]([N@H+](C)CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1(C)C ZINC000740887210 1076286145 /nfs/dbraw/zinc/28/61/45/1076286145.db2.gz QUHDUZXCFPRESF-VQTJNVASSA-N 1 0 407.530 2.414 20 10 HECDRO C[C@@H]1CN(c2ccc(CNC(=O)C[N@H+](CCCCO)C3CC3)cc2F)C[C@H](C)O1 ZINC000741250131 1076420134 /nfs/dbraw/zinc/42/01/34/1076420134.db2.gz INFRYKLSGMEMTE-CALCHBBNSA-N 1 0 407.530 2.292 20 10 HECDRO COc1ccc(N2CC[NH+](CCCNC(=O)N[C@@H]3[C@H]4CCO[C@H]4C3(C)C)CC2)cc1 ZINC000741284654 1076455511 /nfs/dbraw/zinc/45/55/11/1076455511.db2.gz XUKSRRDHHVEKDZ-NJDAHSKKSA-N 1 0 416.566 2.320 20 10 HECDRO COc1ccc(NC(=O)NC(=O)C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000741736151 1076614819 /nfs/dbraw/zinc/61/48/19/1076614819.db2.gz OGYMDSLSMJHWTA-UHFFFAOYSA-N 1 0 412.490 2.312 20 10 HECDRO C[C@@H]1CN(c2ccc(CNC(=O)CN(C)[C@@H]3CC[N@H+](C)[C@@H](C)C3)cc2F)C[C@H](C)O1 ZINC000741790086 1076628770 /nfs/dbraw/zinc/62/87/70/1076628770.db2.gz AZYHTTFVLTVODG-PNYFIKQUSA-N 1 0 420.573 2.470 20 10 HECDRO CS(=O)(=O)Nc1ccc(O)c(C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000742830152 1076887358 /nfs/dbraw/zinc/88/73/58/1076887358.db2.gz FHKRKAZMSWSBJA-QGZVFWFLSA-N 1 0 417.531 2.406 20 10 HECDRO COc1ccc(N2CCN(CCNC(=O)NCCC[N@@H+]3CCCC[C@H]3C)CC2)cc1 ZINC000743318696 1077028057 /nfs/dbraw/zinc/02/80/57/1077028057.db2.gz DMXZAMCOFDRUEA-HXUWFJFHSA-N 1 0 417.598 2.381 20 10 HECDRO CN(CC[C@@H]1CCCC[N@@H+]1C)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000743855246 1077142678 /nfs/dbraw/zinc/14/26/78/1077142678.db2.gz IEVXFIOETZMZJS-IBGZPJMESA-N 1 0 406.546 2.085 20 10 HECDRO CC[N@H+](CC(=O)N1CCC[C@H](NC(C)=O)C1)Cc1cc(Br)ccc1O ZINC000744425715 1077388899 /nfs/dbraw/zinc/38/88/99/1077388899.db2.gz KXLPDALEKKSJMH-INIZCTEOSA-N 1 0 412.328 2.104 20 10 HECDRO C[N@H+](CCC(=O)N1CCN(c2ccccn2)CC1)Cc1ccc(N2CCOCC2)cc1 ZINC000744729566 1077558477 /nfs/dbraw/zinc/55/84/77/1077558477.db2.gz ZFRDKPXCPMABMQ-UHFFFAOYSA-N 1 0 423.561 2.089 20 10 HECDRO COc1ccc(N2CC[NH+](CCCNC(=O)NCC3(CCO)CCCC3)CC2)cc1 ZINC000745349821 1077811523 /nfs/dbraw/zinc/81/15/23/1077811523.db2.gz JNIDHVCVLRRYCA-UHFFFAOYSA-N 1 0 418.582 2.449 20 10 HECDRO COc1ccc(N2CC[NH+](CCCNC(=O)NC(C)(C)c3cnn(C)c3)CC2)cc1 ZINC000745349389 1077811553 /nfs/dbraw/zinc/81/15/53/1077811553.db2.gz HEZMXMISZCDFON-UHFFFAOYSA-N 1 0 414.554 2.175 20 10 HECDRO COc1ccc(N2CCN(CCCNS(=O)(=O)CCc3cccs3)CC2)cc1 ZINC000767469618 1079870667 /nfs/dbraw/zinc/87/06/67/1079870667.db2.gz OUFTZJMCHDOEBN-UHFFFAOYSA-N 1 0 423.604 2.431 20 10 HECDRO COc1ccc(N2CC[NH+](CCCNC(=O)C(=O)NC(C(C)C)C(C)C)CC2)cc1 ZINC000785526082 1080036964 /nfs/dbraw/zinc/03/69/64/1080036964.db2.gz BGFBRZVMNPDVPQ-UHFFFAOYSA-N 1 0 418.582 2.120 20 10 HECDRO CN1CCCc2cc(CNC(=O)C(=O)NCCC[N@H+](C)Cc3ccccc3)ccc21 ZINC000785529247 1080038837 /nfs/dbraw/zinc/03/88/37/1080038837.db2.gz WEUWFOMTTXLVGU-UHFFFAOYSA-N 1 0 408.546 2.324 20 10 HECDRO COc1ccc(N2CC[NH+](CCCNC(=O)C(=O)N[C@H]3CCCC3(C)C)CC2)cc1 ZINC000785529131 1080038980 /nfs/dbraw/zinc/03/89/80/1080038980.db2.gz VOBVTGMMTFBDIH-FQEVSTJZSA-N 1 0 416.566 2.018 20 10 HECDRO O=C(NCc1ccc(N2CCOCC2)cc1)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000767939050 1080233503 /nfs/dbraw/zinc/23/35/03/1080233503.db2.gz QBGVYSZNSNDYSV-YADHBBJMSA-N 1 0 416.566 2.090 20 10 HECDRO COCC[C@H]1CCCC[N@H+](C[C@H](O)CN2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000767943618 1080235914 /nfs/dbraw/zinc/23/59/14/1080235914.db2.gz ZZCLTZAHFYYLJR-IFMALSPDSA-N 1 0 405.583 2.317 20 10 HECDRO Oc1cc2c(cc1C[NH+]1CCN(c3cc(N4CCOCC4)ncn3)CC1)CCCC2 ZINC000768448170 1080565865 /nfs/dbraw/zinc/56/58/65/1080565865.db2.gz SLSDUTSCDTVNIB-UHFFFAOYSA-N 1 0 409.534 2.220 20 10 HECDRO O=C(CNC(=O)Cc1ccccc1)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768542581 1080619096 /nfs/dbraw/zinc/61/90/96/1080619096.db2.gz DZNIKWOHIULNFI-UHFFFAOYSA-N 1 0 420.557 2.194 20 10 HECDRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)NCc3cccc(F)c3)cc2F)CC1 ZINC000786664478 1080749863 /nfs/dbraw/zinc/74/98/63/1080749863.db2.gz AXUPZGFNBRCCLJ-UHFFFAOYSA-N 1 0 416.472 2.039 20 10 HECDRO O=C(NCCOC[C@H]1CCCO1)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768727107 1080755931 /nfs/dbraw/zinc/75/59/31/1080755931.db2.gz GUJTYDHWVAUUHL-JOCHJYFZSA-N 1 0 416.566 2.213 20 10 HECDRO CSC[C@H](CCO)NC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768945482 1080846658 /nfs/dbraw/zinc/84/66/58/1080846658.db2.gz UKWBQYGAJHXNNN-IBGZPJMESA-N 1 0 406.596 2.132 20 10 HECDRO CCOC(=O)c1cnn2c1[nH]c(COC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)cc2=O ZINC000786880356 1080884387 /nfs/dbraw/zinc/88/43/87/1080884387.db2.gz INNTZBIGGXYTNS-MRXNPFEDSA-N 1 0 402.451 2.062 20 10 HECDRO COc1ccc(N2CCC(NC(=O)NC3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)CC2)cc1 ZINC000769153501 1080973023 /nfs/dbraw/zinc/97/30/23/1080973023.db2.gz HWBNZYYHFRPYAC-FGZHOGPDSA-N 1 0 416.566 2.341 20 10 HECDRO O=C(CCCCN1CCOCC1)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000769163573 1080981468 /nfs/dbraw/zinc/98/14/68/1080981468.db2.gz BIDWHGXHCUKBCY-UHFFFAOYSA-N 1 0 414.594 2.337 20 10 HECDRO C[C@H](NC(=O)C(=O)NC1CC[NH+](Cc2ccccn2)CC1)c1ccc(N(C)C)cc1 ZINC000787143133 1081027195 /nfs/dbraw/zinc/02/71/95/1081027195.db2.gz DULMPVYQTZJJBJ-KRWDZBQOSA-N 1 0 409.534 2.106 20 10 HECDRO CCNC(=O)NC(=O)[C@@H](C)OC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000769664497 1078505013 /nfs/dbraw/zinc/50/50/13/1078505013.db2.gz FIAHCZKZOUFWMJ-OAHLLOKOSA-N 1 0 414.506 2.185 20 10 HECDRO Cc1ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2O)c(OCC[NH+](C)C)c1 ZINC000769899656 1078621143 /nfs/dbraw/zinc/62/11/43/1078621143.db2.gz KJSYTSRYPMXRRU-UHFFFAOYSA-N 1 0 407.492 2.265 20 10 HECDRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000745795718 1078651130 /nfs/dbraw/zinc/65/11/30/1078651130.db2.gz JOTGNSZOIPGNNR-LJQANCHMSA-N 1 0 402.539 2.013 20 10 HECDRO CC[NH+]1CCN(c2ccc(CNC(=O)NCc3c(C)nn(C)c3C)cc2F)CC1 ZINC000745808020 1078655554 /nfs/dbraw/zinc/65/55/54/1078655554.db2.gz JDJLPHWHFUNWRB-UHFFFAOYSA-N 1 0 402.518 2.317 20 10 HECDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CC[C@H](COCCOC)C3)cc2F)CC1 ZINC000745810019 1078656342 /nfs/dbraw/zinc/65/63/42/1078656342.db2.gz WWPSVBPWXMQPJX-IBGZPJMESA-N 1 0 422.545 2.162 20 10 HECDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000745826787 1078665903 /nfs/dbraw/zinc/66/59/03/1078665903.db2.gz DKGARGLYDORHDV-OAQYLSRUSA-N 1 0 417.598 2.079 20 10 HECDRO CN(C(=O)c1cc(NS(C)(=O)=O)ccc1O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000770009536 1078685431 /nfs/dbraw/zinc/68/54/31/1078685431.db2.gz JQINQXZGGFRFAH-KRWDZBQOSA-N 1 0 403.504 2.110 20 10 HECDRO COCCN(CC[NH+](C)C)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000745906339 1078687917 /nfs/dbraw/zinc/68/79/17/1078687917.db2.gz YWURTLAJMXZIGQ-MRXNPFEDSA-N 1 0 414.497 2.476 20 10 HECDRO CC[NH+]1CCN(c2cccc(NC(=O)c3ccc(N4NC(=O)CCC4=O)cc3)c2)CC1 ZINC000770149505 1078747916 /nfs/dbraw/zinc/74/79/16/1078747916.db2.gz YZPOQYRTUZZDPI-UHFFFAOYSA-N 1 0 421.501 2.239 20 10 HECDRO O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)NCC1CC[NH+](C2CC2)CC1 ZINC000770260137 1078794930 /nfs/dbraw/zinc/79/49/30/1078794930.db2.gz COROKDNWMQWHGP-UHFFFAOYSA-N 1 0 404.530 2.460 20 10 HECDRO COc1cc(Br)cc(C[N@H+](C)C2CCN(S(C)(=O)=O)CC2)c1O ZINC000770325853 1078828762 /nfs/dbraw/zinc/82/87/62/1078828762.db2.gz SLSCKQYEZCSOAQ-UHFFFAOYSA-N 1 0 407.330 2.019 20 10 HECDRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000770344445 1078837454 /nfs/dbraw/zinc/83/74/54/1078837454.db2.gz KSYBLDPJMAJACG-SFHVURJKSA-N 1 0 405.612 2.065 20 10 HECDRO CCOc1ccc(C[NH+]2CCN(c3ccc(NS(C)(=O)=O)cc3)CC2)c(O)c1 ZINC000770394795 1078841557 /nfs/dbraw/zinc/84/15/57/1078841557.db2.gz MPKDIRZCURQIHJ-UHFFFAOYSA-N 1 0 405.520 2.485 20 10 HECDRO CCOC(=O)C1(CNC(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)CC1 ZINC000770557091 1078880566 /nfs/dbraw/zinc/88/05/66/1078880566.db2.gz BWXGTICWEFOXGB-UHFFFAOYSA-N 1 0 414.550 2.361 20 10 HECDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000804277506 1079008085 /nfs/dbraw/zinc/00/80/85/1079008085.db2.gz DIDWVNQEODWFKV-HXUWFJFHSA-N 1 0 408.546 2.316 20 10 HECDRO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1cnc2c(c1)NC(=O)CO2 ZINC000770790793 1079018214 /nfs/dbraw/zinc/01/82/14/1079018214.db2.gz GLISWPOMNBYOEJ-OAHLLOKOSA-N 1 0 416.865 2.166 20 10 HECDRO COc1ccc(N2CCN(C(=O)CN3CCC[C@@H]([NH+]4CCCC4)CC3)CC2)cc1 ZINC000738336198 1079038100 /nfs/dbraw/zinc/03/81/00/1079038100.db2.gz ZYUFTDMCSKGDHR-HXUWFJFHSA-N 1 0 400.567 2.294 20 10 HECDRO COc1ccc(N2CCC(NC(=O)C(=O)NC[C@H](C)[N@@H+]3CCC[C@H](C)C3)CC2)cc1 ZINC000804318273 1079235777 /nfs/dbraw/zinc/23/57/77/1079235777.db2.gz GCFHGMYNSBBOGI-ROUUACIJSA-N 1 0 416.566 2.017 20 10 HECDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3cc(-n4ccnc4)ccn3)CC2)cc1 ZINC000771503186 1079361234 /nfs/dbraw/zinc/36/12/34/1079361234.db2.gz UWTQGHIRWHKBNP-UHFFFAOYSA-N 1 0 420.517 2.218 20 10 HECDRO CN(C)c1ccc(CNC(=O)C[NH+]2CCC3(C[C@@H]3C(=O)N3CCCCC3)CC2)cc1 ZINC000771466332 1079363140 /nfs/dbraw/zinc/36/31/40/1079363140.db2.gz AKXFERHIHVSZKN-OAQYLSRUSA-N 1 0 412.578 2.483 20 10 HECDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCC[C@@H](c3nnc4ccccn43)C1)cc2=O ZINC000738317782 1075988749 /nfs/dbraw/zinc/98/87/49/1075988749.db2.gz NSNNIAFRZJYJJN-CQSZACIVSA-N 1 0 421.461 2.034 20 10 HECDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCC[C@H](c3nnc4ccccn43)C1)cc2=O ZINC000738317781 1075988839 /nfs/dbraw/zinc/98/88/39/1075988839.db2.gz NSNNIAFRZJYJJN-AWEZNQCLSA-N 1 0 421.461 2.034 20 10 HECDRO CC[N@@H+]1CC[C@@H](N(C)CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C[C@H]1C ZINC000740883386 1076282162 /nfs/dbraw/zinc/28/21/62/1076282162.db2.gz OFVSQODQPPOPMP-IEBWSBKVSA-N 1 0 406.546 2.083 20 10 HECDRO CCO[C@@H]1C[C@@H]([N@H+](C)CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1(C)C ZINC000740887211 1076285985 /nfs/dbraw/zinc/28/59/85/1076285985.db2.gz QUHDUZXCFPRESF-WOJBJXKFSA-N 1 0 407.530 2.414 20 10 HECDRO CC[NH+]1CCN(c2ccc(CNC(=O)NCCCOC[C@H]3CCOC3)cc2F)CC1 ZINC000740920206 1076305725 /nfs/dbraw/zinc/30/57/25/1076305725.db2.gz FPUKCWLUHVRUBM-LJQANCHMSA-N 1 0 422.545 2.210 20 10 HECDRO COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000741099919 1076370268 /nfs/dbraw/zinc/37/02/68/1076370268.db2.gz NDQOLOSYSFLUJN-UHFFFAOYSA-N 1 0 408.502 2.388 20 10 HECDRO C[C@@H]1CN(c2ccc(CNC(=O)CN(C)C[C@@H]3CCC[N@H+](C)C3)cc2F)C[C@H](C)O1 ZINC000741249158 1076436387 /nfs/dbraw/zinc/43/63/87/1076436387.db2.gz CPQQKQPAPGORCA-WSTZPKSXSA-N 1 0 420.573 2.329 20 10 HECDRO COc1ccc(N2CC[NH+](CCCNC(=O)N[C@@H]3[C@@H]4CCO[C@H]4C3(C)C)CC2)cc1 ZINC000741284656 1076455398 /nfs/dbraw/zinc/45/53/98/1076455398.db2.gz XUKSRRDHHVEKDZ-PWRODBHTSA-N 1 0 416.566 2.320 20 10 HECDRO C[NH+]1CCN(Cc2cccc(C(=O)NCc3ccc(N4CCOCC4)cc3)c2)CC1 ZINC000742247065 1076805453 /nfs/dbraw/zinc/80/54/53/1076805453.db2.gz NMPLKKMDUVZPJY-UHFFFAOYSA-N 1 0 408.546 2.201 20 10 HECDRO COc1ccc(N2CCN(CCNC(=O)N3CCC(CC[NH+](C)C)CC3)CC2)cc1 ZINC000743362495 1077032520 /nfs/dbraw/zinc/03/25/20/1077032520.db2.gz DXCCZAYOCINJSE-UHFFFAOYSA-N 1 0 417.598 2.191 20 10 HECDRO COc1ccc(N2CCN(CCNC(=O)NC[C@@H](C)[N@@H+]3CCCC[C@@H]3C)CC2)cc1 ZINC000743362687 1077032718 /nfs/dbraw/zinc/03/27/18/1077032718.db2.gz HUIHYIXHYGLJRZ-VQTJNVASSA-N 1 0 417.598 2.379 20 10 HECDRO COc1ccc(N2CC[NH+](CCCNC(=O)N[C@H](C)c3cnn(C)c3)CC2)cc1 ZINC000743634570 1077085019 /nfs/dbraw/zinc/08/50/19/1077085019.db2.gz YRWISGACSWNZIH-QGZVFWFLSA-N 1 0 400.527 2.001 20 10 HECDRO C[NH+](C)CCOc1cccc(NC(=O)C(=O)NCc2c(O)ccc3c2CCCC3)c1 ZINC000743955516 1077263080 /nfs/dbraw/zinc/26/30/80/1077263080.db2.gz KKRWLFWGDWDFNW-UHFFFAOYSA-N 1 0 411.502 2.466 20 10 HECDRO COc1ccc(N2CC[NH+](CCCNC(=O)NCC(C)(C)C[C@@H](C)O)CC2)cc1 ZINC000745352097 1077811783 /nfs/dbraw/zinc/81/17/83/1077811783.db2.gz VLSWDZGQYJFULI-GOSISDBHSA-N 1 0 406.571 2.304 20 10 HECDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3cc(OC(F)F)n(C)n3)cc2F)CC1 ZINC000767078388 1079648903 /nfs/dbraw/zinc/64/89/03/1079648903.db2.gz WQWRZIZIWMMYCI-UHFFFAOYSA-N 1 0 411.428 2.233 20 10 HECDRO COc1ccc(N2CCCN(C(=O)c3cccc(N4CC[NH+](C)CC4)n3)CC2)cc1 ZINC000767172681 1079707712 /nfs/dbraw/zinc/70/77/12/1079707712.db2.gz BPWVNXRIBUGAFG-UHFFFAOYSA-N 1 0 409.534 2.195 20 10 HECDRO C[C@@H]1CC[N@H+](CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C[C@H]1n1ccnc1 ZINC000767432025 1079860385 /nfs/dbraw/zinc/86/03/85/1079860385.db2.gz DSDUQNUQYQJJIS-DYESRHJHSA-N 1 0 415.513 2.058 20 10 HECDRO COc1ccc(N2CC[NH+](CCCNC(=O)C(=O)N[C@@H]3CCC[C@@H](C)C3)CC2)cc1 ZINC000785526657 1080038113 /nfs/dbraw/zinc/03/81/13/1080038113.db2.gz GJAUDISZIRYMMR-RTBURBONSA-N 1 0 416.566 2.018 20 10 HECDRO COc1ccc(N2CCN(C(=O)CC3([NH+]4CCOCC4)CCCC3)CC2)c(OC)c1 ZINC001169976172 1080160737 /nfs/dbraw/zinc/16/07/37/1080160737.db2.gz RNAGUIRRZJRYEA-UHFFFAOYSA-N 1 0 417.550 2.388 20 10 HECDRO COc1ccc(N2CC[NH+](CCCNC(=O)[C@@]3(O)CCc4ccccc4C3)CC2)cc1 ZINC000785723813 1080200644 /nfs/dbraw/zinc/20/06/44/1080200644.db2.gz KPUFNTVRELBUPK-RUZDIDTESA-N 1 0 423.557 2.244 20 10 HECDRO C[C@H](NC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1ccc(N2CCOCC2)cc1 ZINC000767937858 1080232836 /nfs/dbraw/zinc/23/28/36/1080232836.db2.gz ITAUBUZZSPPNKS-MTNREXPMSA-N 1 0 416.566 2.261 20 10 HECDRO COc1cc(O)c(C[NH2+]C[C@H]2CCn3ncc(C(=O)NC(C)C)c3C2)cc1OC ZINC000786002921 1080365455 /nfs/dbraw/zinc/36/54/55/1080365455.db2.gz OYGOSMGIGYTQNE-AWEZNQCLSA-N 1 0 402.495 2.096 20 10 HECDRO O=C(NCc1ccc(F)cc1)C1CC[NH+](Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000768440016 1080560133 /nfs/dbraw/zinc/56/01/33/1080560133.db2.gz QYZNNVODIFLSBU-FQEVSTJZSA-N 1 0 400.450 2.486 20 10 HECDRO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000768465304 1080585730 /nfs/dbraw/zinc/58/57/30/1080585730.db2.gz GFNAUEDECQQLQM-LRDDRELGSA-N 1 0 402.413 2.441 20 10 HECDRO COc1ccc(N2CC[NH+](C[C@H](O)CN(C)c3cc(OC)cc(OC)c3)CC2)cc1 ZINC000786440812 1080603726 /nfs/dbraw/zinc/60/37/26/1080603726.db2.gz HMHQSBMZPVFRJY-HXUWFJFHSA-N 1 0 415.534 2.332 20 10 HECDRO Cc1cc(CS(=O)(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)on1 ZINC000768576837 1080642615 /nfs/dbraw/zinc/64/26/15/1080642615.db2.gz XDTODLSZRJTKAH-UHFFFAOYSA-N 1 0 404.536 2.135 20 10 HECDRO O=C(NCCOC[C@@H]1CCOC1)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768724782 1080755022 /nfs/dbraw/zinc/75/50/22/1080755022.db2.gz RJLQZIMGTPGALP-OAQYLSRUSA-N 1 0 416.566 2.071 20 10 HECDRO CC(C)N1C[C@@H](NC(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)CC1=O ZINC000768733471 1080759345 /nfs/dbraw/zinc/75/93/45/1080759345.db2.gz KCEMEDUCIJESID-FQEVSTJZSA-N 1 0 413.566 2.027 20 10 HECDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)N[C@@H]1CCc2c[nH]nc2C1 ZINC000768744379 1080767587 /nfs/dbraw/zinc/76/75/87/1080767587.db2.gz WRBZARBHZPZAKO-HXUWFJFHSA-N 1 0 408.550 2.298 20 10 HECDRO COC(=O)[C@H]1CCN(C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)[C@H]1C ZINC000786802627 1080835621 /nfs/dbraw/zinc/83/56/21/1080835621.db2.gz YMKILCHUAZIOEH-UWJYYQICSA-N 1 0 414.550 2.312 20 10 HECDRO NC(=O)[C@H]1CCC[C@@H](NC(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)C1 ZINC000768943426 1080845536 /nfs/dbraw/zinc/84/55/36/1080845536.db2.gz HEYRVFINFUWEHD-VQTJNVASSA-N 1 0 413.566 2.062 20 10 HECDRO O=C(CNC(=O)NCc1ccco1)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000768912622 1080851350 /nfs/dbraw/zinc/85/13/50/1080851350.db2.gz PXPOBWCGIMEXKH-MRXNPFEDSA-N 1 0 420.897 2.219 20 10 HECDRO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1sccc1-n1cnnn1 ZINC000768914590 1080854364 /nfs/dbraw/zinc/85/43/64/1080854364.db2.gz FPDNGTQYUZDXKY-AWEZNQCLSA-N 1 0 418.910 2.477 20 10 HECDRO O=C(CSc1nncs1)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768917034 1080855906 /nfs/dbraw/zinc/85/59/06/1080855906.db2.gz YQGQCLLNJLLMGG-UHFFFAOYSA-N 1 0 403.577 2.479 20 10 HECDRO C[C@H](NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000787063957 1080975689 /nfs/dbraw/zinc/97/56/89/1080975689.db2.gz IROHRQXTWLGBLQ-OALUTQOASA-N 1 0 416.566 2.479 20 10 HECDRO COC(=O)c1cc(C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)ccn1 ZINC000769163895 1080980233 /nfs/dbraw/zinc/98/02/33/1080980233.db2.gz GJQDZBILWVALJW-UHFFFAOYSA-N 1 0 408.502 2.330 20 10 HECDRO Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)N(C)Cc1ccccc1O ZINC000769282106 1081030838 /nfs/dbraw/zinc/03/08/38/1081030838.db2.gz JTFSKGHTHOIYDA-UHFFFAOYSA-N 1 0 419.547 2.203 20 10 HECDRO Cc1ccc(S(=O)(=O)NCCN2CC[NH+](Cc3cc(C)c(C)cc3O)CC2)cc1 ZINC000769380314 1081058473 /nfs/dbraw/zinc/05/84/73/1081058473.db2.gz SRYUJGKFFVTGBJ-UHFFFAOYSA-N 1 0 417.575 2.414 20 10 HECDRO