smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000769957268 1078651749 /nfs/dbraw/zinc/65/17/49/1078651749.db2.gz KQUOZXBBOKUYKR-DNVCBOLYSA-N 1 1 417.531 2.404 20 10 HECDMO COCC[NH+]1CCN(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1 ZINC000745906118 1078688571 /nfs/dbraw/zinc/68/85/71/1078688571.db2.gz WTSKNMDAYAGZLV-INIZCTEOSA-N 1 1 412.481 2.230 20 10 HECDMO CCN1CC[NH+](CCC(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)CC1 ZINC000746018833 1078735394 /nfs/dbraw/zinc/73/53/94/1078735394.db2.gz NUSQDGPDELDANO-JOCHJYFZSA-N 1 1 402.583 2.288 20 10 HECDMO CCCNC(=O)c1cccc(C(=O)NCC[NH+]2CCN(c3ccc(OC)cc3)CC2)c1 ZINC000741211986 1076405363 /nfs/dbraw/zinc/40/53/63/1076405363.db2.gz LGLFWZVRLFSRGG-UHFFFAOYSA-N 1 1 424.545 2.387 20 10 HECDMO CCN(CC)c1ccc(C[N@H+](C)CC(=O)Nc2cccc(S(N)(=O)=O)c2)cc1 ZINC000741677843 1076583696 /nfs/dbraw/zinc/58/36/96/1076583696.db2.gz DASAUGDJYVHDOM-UHFFFAOYSA-N 1 1 404.536 2.251 20 10 HECDMO CCN(CC)c1ccc(C[N@@H+](C)CC(=O)Nc2cccc(S(N)(=O)=O)c2)cc1 ZINC000741677843 1076583702 /nfs/dbraw/zinc/58/37/02/1076583702.db2.gz DASAUGDJYVHDOM-UHFFFAOYSA-N 1 1 404.536 2.251 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)NC[C@@H]3Cc4ccccc4O3)CC2)cc1 ZINC000742939517 1076896589 /nfs/dbraw/zinc/89/65/89/1076896589.db2.gz HRTZJFCUHIQVIY-NRFANRHFSA-N 1 1 410.518 2.120 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)N(C)Cc3cnc(C)s3)CC2)cc1 ZINC000742939974 1076896694 /nfs/dbraw/zinc/89/66/94/1076896694.db2.gz NROWGODKTRLHTL-UHFFFAOYSA-N 1 1 403.552 2.424 20 10 HECDMO COCCOc1cccc(C(=O)NCC[NH+]2CCN(c3ccc(OC)cc3)CC2)c1 ZINC000742916445 1076897036 /nfs/dbraw/zinc/89/70/36/1076897036.db2.gz IKRYLSQHAOXXTN-UHFFFAOYSA-N 1 1 413.518 2.272 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)CCOc3ccccc3OC)CC2)cc1 ZINC000742916778 1076897354 /nfs/dbraw/zinc/89/73/54/1076897354.db2.gz MGLGVRRMKMJPMQ-UHFFFAOYSA-N 1 1 413.518 2.411 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)NCCc3ccccc3OC)CC2)cc1 ZINC000742947636 1076899363 /nfs/dbraw/zinc/89/93/63/1076899363.db2.gz KCGOJHJISIZVSS-UHFFFAOYSA-N 1 1 412.534 2.368 20 10 HECDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 ZINC000743736432 1077105156 /nfs/dbraw/zinc/10/51/56/1077105156.db2.gz XPOFLBQKYJCURD-QGZVFWFLSA-N 1 1 403.504 2.110 20 10 HECDMO CC[N@@H+](Cc1cc(Br)ccc1O)[C@@H](C)C(=O)N1CCN(C(C)=O)CC1 ZINC000743870931 1077155955 /nfs/dbraw/zinc/15/59/55/1077155955.db2.gz IAJCJIJLXQOWIY-ZDUSSCGKSA-N 1 1 412.328 2.056 20 10 HECDMO CC[N@@H+](CC(=O)N1CCC2(CC1)OCCO2)Cc1cc(Br)ccc1O ZINC000744426636 1077389968 /nfs/dbraw/zinc/38/99/68/1077389968.db2.gz SESAONOAJYGJNR-UHFFFAOYSA-N 1 1 413.312 2.342 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)NC[C@]3(C)CCO[C@H]3C3CC3)CC2)cc1 ZINC000767325768 1079820369 /nfs/dbraw/zinc/82/03/69/1079820369.db2.gz YGSRGWYNIRVHFL-GMAHTHKFSA-N 1 1 416.566 2.322 20 10 HECDMO CCOC(=O)c1cnn2c1[nH]c(CN1CC[C@H]([N@@H+](C)Cc3ccccc3)C1)cc2=O ZINC000746485646 1080056607 /nfs/dbraw/zinc/05/66/07/1080056607.db2.gz ZKWZAFLFEIVXHH-SFHVURJKSA-N 1 1 409.490 2.318 20 10 HECDMO O=C(C[N@@H+](CCCO)Cc1ccccc1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000767901433 1080221473 /nfs/dbraw/zinc/22/14/73/1080221473.db2.gz HHFCOZHVSACVTN-UHFFFAOYSA-N 1 1 415.509 2.163 20 10 HECDMO O=C(C[N@H+](CCCO)Cc1ccccc1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000767901433 1080221487 /nfs/dbraw/zinc/22/14/87/1080221487.db2.gz HHFCOZHVSACVTN-UHFFFAOYSA-N 1 1 415.509 2.163 20 10 HECDMO COCC[C@@H]1CCCC[N@@H+](C[C@@H](O)CN2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000767943624 1080236046 /nfs/dbraw/zinc/23/60/46/1080236046.db2.gz ZZCLTZAHFYYLJR-UNMCSNQZSA-N 1 1 405.583 2.317 20 10 HECDMO O=C(c1ccc2c(c1)OCO2)N1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000768238154 1080413875 /nfs/dbraw/zinc/41/38/75/1080413875.db2.gz QLXSBNLLVKNFOQ-UHFFFAOYSA-N 1 1 409.486 2.210 20 10 HECDMO CCOc1ccc(O)c(C[N@@H+]2CCCN(S(=O)(=O)c3c(C)noc3C)CC2)c1 ZINC000768216496 1080419360 /nfs/dbraw/zinc/41/93/60/1080419360.db2.gz YHHDDJRVVMQABQ-UHFFFAOYSA-N 1 1 409.508 2.292 20 10 HECDMO CCOc1ccc(O)c(C[N@H+]2CCCN(S(=O)(=O)c3c(C)noc3C)CC2)c1 ZINC000768216496 1080419377 /nfs/dbraw/zinc/41/93/77/1080419377.db2.gz YHHDDJRVVMQABQ-UHFFFAOYSA-N 1 1 409.508 2.292 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)N3CC[C@@H](C(C)(C)C)[C@H](O)C3)CC2)cc1 ZINC000768292952 1080463659 /nfs/dbraw/zinc/46/36/59/1080463659.db2.gz DTRTYHZCKKJBFZ-NHCUHLMSSA-N 1 1 418.582 2.256 20 10 HECDMO O=C(CN1CC[NH+](Cc2cc3c(cc2O)OC[C@@H]3O)CC1)Nc1ccc(Cl)cc1 ZINC000768465951 1080585257 /nfs/dbraw/zinc/58/52/57/1080585257.db2.gz UIDJIIUMRMQEBN-IBGZPJMESA-N 1 1 417.893 2.228 20 10 HECDMO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768465303 1080585871 /nfs/dbraw/zinc/58/58/71/1080585871.db2.gz GFNAUEDECQQLQM-BLLLJJGKSA-N 1 1 402.413 2.441 20 10 HECDMO Cc1cc(C)n2nc(C(=O)N[C@H]3CCC[N@H+](Cc4cc(Cl)ccc4O)C3)nc2n1 ZINC000768910891 1080850920 /nfs/dbraw/zinc/85/09/20/1080850920.db2.gz BDCLPKZQHHTCNR-INIZCTEOSA-N 1 1 414.897 2.495 20 10 HECDMO Cc1cc(C)n2nc(C(=O)N[C@H]3CCC[N@@H+](Cc4cc(Cl)ccc4O)C3)nc2n1 ZINC000768910891 1080850923 /nfs/dbraw/zinc/85/09/23/1080850923.db2.gz BDCLPKZQHHTCNR-INIZCTEOSA-N 1 1 414.897 2.495 20 10 HECDMO CCC(=O)N1CSC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000768914624 1080853834 /nfs/dbraw/zinc/85/38/34/1080853834.db2.gz FSCDBQVRVDAGTL-JKSUJKDBSA-N 1 1 411.955 2.438 20 10 HECDMO O=C1[C@H](N2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)CCN1c1ccccc1 ZINC000769404859 1081063999 /nfs/dbraw/zinc/06/39/99/1081063999.db2.gz RGCUPUDWISTSMK-XMMPIXPASA-N 1 1 420.557 2.446 20 10 HECDMO C[C@@H](NC(=O)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1)c1ccc(N(C)C)cc1 ZINC000787289290 1081094640 /nfs/dbraw/zinc/09/46/40/1081094640.db2.gz FAGIZWQWMVXUGF-GOSISDBHSA-N 1 1 424.545 2.078 20 10 HECDMO CCO[C@H]1C[C@@H](NC(=O)NCC[NH+]2CCN(c3ccc(OC)cc3)CC2)C12CCC2 ZINC000745783925 1078642353 /nfs/dbraw/zinc/64/23/53/1078642353.db2.gz ICKQMMLLVPWRNQ-RTWAWAEBSA-N 1 1 416.566 2.464 20 10 HECDMO CO[C@H](C)c1noc(CN2CCC[N@@H+](Cc3ccc(N4CCOCC4)cc3)CC2)n1 ZINC000770283791 1078807083 /nfs/dbraw/zinc/80/70/83/1078807083.db2.gz YCFJRAFBEZOCIO-GOSISDBHSA-N 1 1 415.538 2.322 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)NCCC[C@@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000770365596 1078831547 /nfs/dbraw/zinc/83/15/47/1078831547.db2.gz QVZGCBPFKSFXHB-UGKGYDQZSA-N 1 1 418.582 2.448 20 10 HECDMO CCC[C@]1(CO)CCCN1C(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000770423993 1078846957 /nfs/dbraw/zinc/84/69/57/1078846957.db2.gz FBMVJKRUCHHEKZ-JOCHJYFZSA-N 1 1 404.555 2.154 20 10 HECDMO COC(COCCNC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2)OC ZINC000770769434 1078987588 /nfs/dbraw/zinc/98/75/88/1078987588.db2.gz XYBDKCSQAXOFQO-UHFFFAOYSA-N 1 1 403.523 2.160 20 10 HECDMO O=C1c2ccccc2C(=O)N1C[C@H]1C[N@H+](Cc2c(O)ccc3ccncc32)CCO1 ZINC000771173249 1079208961 /nfs/dbraw/zinc/20/89/61/1079208961.db2.gz NOZTZRRHRFEKME-MRXNPFEDSA-N 1 1 403.438 2.437 20 10 HECDMO O=C1c2ccccc2C(=O)N1C[C@H]1C[N@@H+](Cc2c(O)ccc3ccncc32)CCO1 ZINC000771173249 1079208964 /nfs/dbraw/zinc/20/89/64/1079208964.db2.gz NOZTZRRHRFEKME-MRXNPFEDSA-N 1 1 403.438 2.437 20 10 HECDMO C[C@@H]1CN(c2ccc(CNC(=O)CN3CC[N@@H+](C)[C@H](C)[C@H]3C)cc2F)C[C@H](C)O1 ZINC000771457714 1079332365 /nfs/dbraw/zinc/33/23/65/1079332365.db2.gz ASUJHSUQBOUGNM-XMTFNYHQSA-N 1 1 406.546 2.080 20 10 HECDMO CCC[C@@H]1CN(C(=O)NCc2ccc(N3CCOCC3)cc2)CC[N@H+]1CCOC ZINC000766775026 1079356910 /nfs/dbraw/zinc/35/69/10/1079356910.db2.gz GAAKKOMJHGIQIB-OAQYLSRUSA-N 1 1 404.555 2.166 20 10 HECDMO O=C(CN1CCC[N@H+](C2CCCC2)CC1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000738335487 1075984114 /nfs/dbraw/zinc/98/41/14/1075984114.db2.gz QTYUXIIJCXYYIB-UHFFFAOYSA-N 1 1 418.557 2.229 20 10 HECDMO C[N@H+](CC(=O)NCCOc1cccc(F)c1)Cc1ccc(N2CCOCC2)cc1 ZINC000738298785 1075985463 /nfs/dbraw/zinc/98/54/63/1075985463.db2.gz HYEUJIGNEOKLLA-UHFFFAOYSA-N 1 1 401.482 2.289 20 10 HECDMO C[N@@H+](CC(=O)NCCOc1cccc(F)c1)Cc1ccc(N2CCOCC2)cc1 ZINC000738298785 1075985470 /nfs/dbraw/zinc/98/54/70/1075985470.db2.gz HYEUJIGNEOKLLA-UHFFFAOYSA-N 1 1 401.482 2.289 20 10 HECDMO C[C@@H]1CN(c2ccc(CNC(=O)C[N@@H+](CCCCO)C3CC3)cc2F)C[C@@H](C)O1 ZINC000741250136 1076420080 /nfs/dbraw/zinc/42/00/80/1076420080.db2.gz INFRYKLSGMEMTE-IAGOWNOFSA-N 1 1 407.530 2.292 20 10 HECDMO Cc1cc(C(=O)C[N@@H+]2CCC[C@H](CCO)C2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000741788706 1076627898 /nfs/dbraw/zinc/62/78/98/1076627898.db2.gz ZSQHQOIWJUDSCU-QGZVFWFLSA-N 1 1 419.547 2.019 20 10 HECDMO Cc1cc(C(=O)C[N@H+]2CCC[C@H](CCO)C2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000741788706 1076627900 /nfs/dbraw/zinc/62/79/00/1076627900.db2.gz ZSQHQOIWJUDSCU-QGZVFWFLSA-N 1 1 419.547 2.019 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)C[C@@H](NC(C)=O)c3ccccc3)CC2)cc1 ZINC000742917384 1076897337 /nfs/dbraw/zinc/89/73/37/1076897337.db2.gz VXNKHSCGTPFRGO-HSZRJFAPSA-N 1 1 424.545 2.201 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)Cc3ccc(NC(C)=O)cc3)CC2)cc1 ZINC000742926784 1076898500 /nfs/dbraw/zinc/89/85/00/1076898500.db2.gz AQRBDSZPORZIBP-UHFFFAOYSA-N 1 1 410.518 2.135 20 10 HECDMO COc1ccc(N2CCN(CCCNC(=O)NC[C@@H]3CC[N@@H+](C(C)C)C3)CC2)cc1 ZINC000743319817 1077028018 /nfs/dbraw/zinc/02/80/18/1077028018.db2.gz ORNLUIOJXDZOLO-FQEVSTJZSA-N 1 1 417.598 2.237 20 10 HECDMO COc1ccc(N2CCN(CCCNC(=O)NC[C@@H]3CC[N@H+](C(C)C)C3)CC2)cc1 ZINC000743319817 1077028022 /nfs/dbraw/zinc/02/80/22/1077028022.db2.gz ORNLUIOJXDZOLO-FQEVSTJZSA-N 1 1 417.598 2.237 20 10 HECDMO COCCC[N@@H+](C)CCNC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000743555267 1077068172 /nfs/dbraw/zinc/06/81/72/1077068172.db2.gz UOPPIZLHSAAABK-CALCHBBNSA-N 1 1 410.534 2.207 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)NCC[C@H](O)c3ccccc3)CC2)cc1 ZINC000743566419 1077073872 /nfs/dbraw/zinc/07/38/72/1077073872.db2.gz GDOUWCJCVPTDEM-QFIPXVFZSA-N 1 1 412.534 2.240 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)NCc3sc(C)nc3C)CC2)cc1 ZINC000743568428 1077074224 /nfs/dbraw/zinc/07/42/24/1077074224.db2.gz WJBALDQDGOJMDU-UHFFFAOYSA-N 1 1 403.552 2.390 20 10 HECDMO CCN1CC[NH+](CCC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1 ZINC000743734825 1077104431 /nfs/dbraw/zinc/10/44/31/1077104431.db2.gz AGXWUIJSYROHRL-KRWDZBQOSA-N 1 1 410.509 2.401 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)c3cn(C)nc3-c3cccnc3)CC2)cc1 ZINC000743929141 1077253288 /nfs/dbraw/zinc/25/32/88/1077253288.db2.gz ZQESTLDQLUXWJA-UHFFFAOYSA-N 1 1 420.517 2.043 20 10 HECDMO CC(C)Cn1c(N)c(C(=O)C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)c(=O)[nH]c1=O ZINC000771791718 1079509741 /nfs/dbraw/zinc/50/97/41/1079509741.db2.gz RHQCGOHQOMCCSE-UHFFFAOYSA-N 1 1 413.522 2.100 20 10 HECDMO CC(C)Cn1c(N)c(C(=O)C[N@@H+](Cc2ccc(N(C)C)cc2)C2CC2)c(=O)[nH]c1=O ZINC000771791718 1079509747 /nfs/dbraw/zinc/50/97/47/1079509747.db2.gz RHQCGOHQOMCCSE-UHFFFAOYSA-N 1 1 413.522 2.100 20 10 HECDMO C[C@H]1CN(c2ccc(CNC(=O)CN3CC[N@@H+](C)CC3(C)C)cc2F)C[C@H](C)O1 ZINC000766999843 1079599716 /nfs/dbraw/zinc/59/97/16/1079599716.db2.gz XWSSAELPYLUMMC-IRXDYDNUSA-N 1 1 406.546 2.082 20 10 HECDMO COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000804352018 1079795303 /nfs/dbraw/zinc/79/53/03/1079795303.db2.gz NAFOAWJHGZYKJC-FQEVSTJZSA-N 1 1 417.550 2.281 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)[C@H](O)Cc3ccccc3Cl)CC2)cc1 ZINC000772510703 1079907199 /nfs/dbraw/zinc/90/71/99/1079907199.db2.gz MJGPYMRVXWNHPW-OAQYLSRUSA-N 1 1 417.937 2.190 20 10 HECDMO CCCc1cc(NC(=O)NCC[NH+]2CCN(c3ccc(OC)cc3)CC2)n(C)n1 ZINC000772592162 1079952522 /nfs/dbraw/zinc/95/25/22/1079952522.db2.gz PBYMDIVCMWITFK-UHFFFAOYSA-N 1 1 400.527 2.325 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)C[C@@H](O)c3cccc(F)c3)CC2)cc1 ZINC000772612911 1079978654 /nfs/dbraw/zinc/97/86/54/1079978654.db2.gz QESFUDRIIDMULE-OAQYLSRUSA-N 1 1 401.482 2.196 20 10 HECDMO CC(C)NC(=O)c1cnn2c1C[C@@H](C[NH2+]Cc1ccc(N3CCN(C)CC3)cc1)CC2 ZINC000785563152 1080078565 /nfs/dbraw/zinc/07/85/65/1080078565.db2.gz LGQXZZYQKWSKNY-FQEVSTJZSA-N 1 1 424.593 2.125 20 10 HECDMO COCC[C@@H]1CCCC[N@@H+](CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000767940151 1080234398 /nfs/dbraw/zinc/23/43/98/1080234398.db2.gz GRVBISGZFOJBOT-SFHVURJKSA-N 1 1 407.530 2.417 20 10 HECDMO CCN(CC)c1ccc(CNC(=O)C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000785865155 1080288139 /nfs/dbraw/zinc/28/81/39/1080288139.db2.gz HMOYVHVRAMKGAW-ROUUACIJSA-N 1 1 418.582 2.153 20 10 HECDMO NC(=O)C1CCN(C(=O)C2CC[NH+](Cc3cccc(Br)c3O)CC2)CC1 ZINC000768335796 1080494053 /nfs/dbraw/zinc/49/40/53/1080494053.db2.gz YNVDZEDXTYKIEB-UHFFFAOYSA-N 1 1 424.339 2.091 20 10 HECDMO O=C(Cc1cccc(F)c1)N1CCC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000768462738 1080583865 /nfs/dbraw/zinc/58/38/65/1080583865.db2.gz CPJGBOBDXBLZQN-FQEVSTJZSA-N 1 1 400.450 2.234 20 10 HECDMO CN(C)c1ccc(C[N@H+](C)CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1F ZINC000768989799 1080876921 /nfs/dbraw/zinc/87/69/21/1080876921.db2.gz BIYYRLCDBQWJPK-UHFFFAOYSA-N 1 1 408.518 2.403 20 10 HECDMO CN(C)c1ccc(C[N@@H+](C)CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1F ZINC000768989799 1080876922 /nfs/dbraw/zinc/87/69/22/1080876922.db2.gz BIYYRLCDBQWJPK-UHFFFAOYSA-N 1 1 408.518 2.403 20 10 HECDMO C[C@H](C(=O)NC1CCCC1)N1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000769328615 1081043982 /nfs/dbraw/zinc/04/39/82/1081043982.db2.gz RDQULZHZMOFYSN-LJQANCHMSA-N 1 1 400.567 2.088 20 10 HECDMO CC(C)[C@@H](OC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2)C(=O)NC(N)=O ZINC000769663234 1078501655 /nfs/dbraw/zinc/50/16/55/1078501655.db2.gz NBVCVRFXVYTBGX-HXUWFJFHSA-N 1 1 414.506 2.171 20 10 HECDMO CCOCCNC(=O)COC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000769662763 1078502278 /nfs/dbraw/zinc/50/22/78/1078502278.db2.gz IACAGYGHPCRBNO-UHFFFAOYSA-N 1 1 401.507 2.104 20 10 HECDMO COCCCNC(=O)COC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000769662977 1078502501 /nfs/dbraw/zinc/50/25/01/1078502501.db2.gz ITHYGCKUWPKQQA-UHFFFAOYSA-N 1 1 401.507 2.104 20 10 HECDMO CC[C@]1(C)NC(=O)N(NC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)C1=O ZINC000769855732 1078579681 /nfs/dbraw/zinc/57/96/81/1078579681.db2.gz RPXNNXYBVCUMHH-QFIPXVFZSA-N 1 1 411.506 2.160 20 10 HECDMO C[C@@H]1CN(c2ccc(CNC(=O)C[N@H+]3CCC34CCOCC4)cc2F)C[C@@H](C)O1 ZINC000769893556 1078646535 /nfs/dbraw/zinc/64/65/35/1078646535.db2.gz PXISEAGLXDWJCO-IAGOWNOFSA-N 1 1 405.514 2.310 20 10 HECDMO C[C@@H]1CN(c2ccc(CNC(=O)C[N@H+]3CCC34CCOCC4)cc2F)C[C@H](C)O1 ZINC000769893554 1078646614 /nfs/dbraw/zinc/64/66/14/1078646614.db2.gz PXISEAGLXDWJCO-CALCHBBNSA-N 1 1 405.514 2.310 20 10 HECDMO C[C@H](NC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(N2CCOCC2)cc1 ZINC000746168806 1078814192 /nfs/dbraw/zinc/81/41/92/1078814192.db2.gz QUBXIOGLAODHGQ-YADARESESA-N 1 1 409.530 2.337 20 10 HECDMO CCN1C(=O)[C@H]2C[N@H+](Cc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)CCN2C1=O ZINC000770289704 1078810221 /nfs/dbraw/zinc/81/02/21/1078810221.db2.gz GYHNXICKSNRVPP-GOSISDBHSA-N 1 1 401.467 2.053 20 10 HECDMO CCN1C(=O)[C@H]2C[N@@H+](Cc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)CCN2C1=O ZINC000770289704 1078810224 /nfs/dbraw/zinc/81/02/24/1078810224.db2.gz GYHNXICKSNRVPP-GOSISDBHSA-N 1 1 401.467 2.053 20 10 HECDMO C[N@@H+](Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C1CCN(S(C)(=O)=O)CC1 ZINC000770327079 1078829104 /nfs/dbraw/zinc/82/91/04/1078829104.db2.gz VGPVXENNOQIGEC-UHFFFAOYSA-N 1 1 410.540 2.441 20 10 HECDMO O=S(=O)(c1ccc2c(c1)OCCO2)N1CCC[N@H+](Cc2ccccc2O)CC1 ZINC000770511083 1078871795 /nfs/dbraw/zinc/87/17/95/1078871795.db2.gz ZBHYWSKEVUPPSK-UHFFFAOYSA-N 1 1 404.488 2.060 20 10 HECDMO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000745826785 1078933970 /nfs/dbraw/zinc/93/39/70/1078933970.db2.gz DKGARGLYDORHDV-NRFANRHFSA-N 1 1 417.598 2.079 20 10 HECDMO Cc1cc(O)cc(=O)n1CC(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000771064077 1079122705 /nfs/dbraw/zinc/12/27/05/1079122705.db2.gz HISLBBBABYUOAC-INIZCTEOSA-N 1 1 405.882 2.002 20 10 HECDMO CC[N@H+]1CC[C@H](N(C)CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C[C@@H]1C ZINC000740883385 1076282010 /nfs/dbraw/zinc/28/20/10/1076282010.db2.gz OFVSQODQPPOPMP-HKUYNNGSSA-N 1 1 406.546 2.083 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)CCc3nc(C(C)(C)C)no3)CC2)cc1 ZINC000742919028 1076897676 /nfs/dbraw/zinc/89/76/76/1076897676.db2.gz AGAZCJDAXZJSIX-UHFFFAOYSA-N 1 1 415.538 2.247 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)c3cccc(N4CCOC4=O)c3)CC2)cc1 ZINC000742919058 1076897688 /nfs/dbraw/zinc/89/76/88/1076897688.db2.gz BGPTWINEUOLHCE-UHFFFAOYSA-N 1 1 424.501 2.204 20 10 HECDMO COC(=O)Nc1ccc(C(=O)NCC[NH+]2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000742920699 1076897803 /nfs/dbraw/zinc/89/78/03/1076897803.db2.gz MNHIZMHYKXNDBK-UHFFFAOYSA-N 1 1 412.490 2.426 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)C[C@@H](C)NC(=O)c3ccccc3)CC2)cc1 ZINC000742927132 1076898659 /nfs/dbraw/zinc/89/86/59/1076898659.db2.gz JRRIESYXWUTMCY-LJQANCHMSA-N 1 1 424.545 2.142 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)NCC[C@@H](O)c3ccccc3)CC2)cc1 ZINC000743566418 1077074017 /nfs/dbraw/zinc/07/40/17/1077074017.db2.gz GDOUWCJCVPTDEM-JOCHJYFZSA-N 1 1 412.534 2.240 20 10 HECDMO COc1cccc(CNC(=O)NC[C@H](c2cccs2)N2CC[NH+](C)CC2)c1O ZINC000745296136 1077801692 /nfs/dbraw/zinc/80/16/92/1077801692.db2.gz BKHRSTCUONHSRU-MRXNPFEDSA-N 1 1 404.536 2.250 20 10 HECDMO COc1ccc(N2CCN(CCCNC(=O)N3CC[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc1 ZINC000745348102 1077810977 /nfs/dbraw/zinc/81/09/77/1077810977.db2.gz BIDQKPNCLQHYGV-CTNGQTDRSA-N 1 1 415.582 2.085 20 10 HECDMO COc1ccc(N2CCN(CCCNC(=O)N3CC[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc1 ZINC000745348102 1077810982 /nfs/dbraw/zinc/81/09/82/1077810982.db2.gz BIDQKPNCLQHYGV-CTNGQTDRSA-N 1 1 415.582 2.085 20 10 HECDMO CCN(CC)c1ccc(CNC(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)cc1F ZINC000766974443 1079570607 /nfs/dbraw/zinc/57/06/07/1079570607.db2.gz UTKREJUYGBRSCC-HXUWFJFHSA-N 1 1 419.545 2.120 20 10 HECDMO CCOC(=O)c1cnn2c1[nH]c(CN1CC[NH+](Cc3cccc(F)c3)CC1)cc2=O ZINC000767041259 1079625939 /nfs/dbraw/zinc/62/59/39/1079625939.db2.gz FSLXBZDGZXYHGD-UHFFFAOYSA-N 1 1 413.453 2.069 20 10 HECDMO CS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000772599978 1080001894 /nfs/dbraw/zinc/00/18/94/1080001894.db2.gz QBKARMPFNPZQIN-KRWDZBQOSA-N 1 1 410.540 2.346 20 10 HECDMO CS(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000772599978 1080001905 /nfs/dbraw/zinc/00/19/05/1080001905.db2.gz QBKARMPFNPZQIN-KRWDZBQOSA-N 1 1 410.540 2.346 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)Cc3ccccc3NC(C)=O)CC2)cc1 ZINC000767757320 1080072105 /nfs/dbraw/zinc/07/21/05/1080072105.db2.gz XRERQOQXDIQBSQ-UHFFFAOYSA-N 1 1 410.518 2.135 20 10 HECDMO CC(C)N1CCc2c(c3ccccc3n2CC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000767777410 1080083218 /nfs/dbraw/zinc/08/32/18/1080083218.db2.gz TVRJMEOHGSEENL-RBUKOAKNSA-N 1 1 410.562 2.387 20 10 HECDMO CC(C)N1CCc2c(c3ccccc3n2CC(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000767777410 1080083227 /nfs/dbraw/zinc/08/32/27/1080083227.db2.gz TVRJMEOHGSEENL-RBUKOAKNSA-N 1 1 410.562 2.387 20 10 HECDMO Oc1cc2c(cc1C[N@H+]1CCC[C@@H](CN3CCN(c4ccccn4)CC3)C1)[C@H](O)CO2 ZINC000768443504 1080564212 /nfs/dbraw/zinc/56/42/12/1080564212.db2.gz FLKOGMYPDYSXPY-PGRDOPGGSA-N 1 1 424.545 2.247 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)NCC(C)(C)c3ccncc3)CC2)cc1 ZINC000768715409 1080730508 /nfs/dbraw/zinc/73/05/08/1080730508.db2.gz SXQGEZNPJHOVBZ-UHFFFAOYSA-N 1 1 411.550 2.489 20 10 HECDMO O=C(CNC(=O)Cc1ccccc1)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000768912611 1080851414 /nfs/dbraw/zinc/85/14/14/1080851414.db2.gz PTNLUCGIKDZHES-IBGZPJMESA-N 1 1 415.921 2.485 20 10 HECDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000768914139 1080854384 /nfs/dbraw/zinc/85/43/84/1080854384.db2.gz CPXPBTUVCLWWMI-HNNXBMFYSA-N 1 1 407.858 2.240 20 10 HECDMO CCOc1cccc(C[N@H+](C)CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1O ZINC000768990452 1080877459 /nfs/dbraw/zinc/87/74/59/1080877459.db2.gz FESCDJXFSZGYQG-UHFFFAOYSA-N 1 1 407.511 2.302 20 10 HECDMO CCOc1cccc(C[N@@H+](C)CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1O ZINC000768990452 1080877460 /nfs/dbraw/zinc/87/74/60/1080877460.db2.gz FESCDJXFSZGYQG-UHFFFAOYSA-N 1 1 407.511 2.302 20 10 HECDMO C[C@@H]1CN(c2ccc(CNC(=O)C[NH2+][C@@H](CCO)c3ccco3)cc2F)C[C@@H](C)O1 ZINC000769220962 1081006430 /nfs/dbraw/zinc/00/64/30/1081006430.db2.gz JKVIGRMMIWUAQB-MDZRGWNJSA-N 1 1 419.497 2.362 20 10 HECDMO CCOc1cccc(C[NH+]2CCN(c3ccccc3S(=O)(=O)NC)CC2)c1O ZINC000769317628 1081040996 /nfs/dbraw/zinc/04/09/96/1081040996.db2.gz URLBMTWQMSHDPN-UHFFFAOYSA-N 1 1 405.520 2.021 20 10 HECDMO COc1cccc(O)c1C[NH+]1CCN(c2ncc(Br)c(OC)n2)CC1 ZINC000769331058 1081044324 /nfs/dbraw/zinc/04/43/24/1081044324.db2.gz BRPVUCUNANIRJX-UHFFFAOYSA-N 1 1 409.284 2.284 20 10 HECDMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)NCc2ccc(N3CCSCC3)cc2)CC1 ZINC000745592477 1078556153 /nfs/dbraw/zinc/55/61/53/1078556153.db2.gz IAYIWAMYBLJJRX-IBGZPJMESA-N 1 1 419.639 2.313 20 10 HECDMO CC[NH+]1CCN(C[C@H](C)CNC(=O)NCc2ccc(N3CCSCC3)cc2)CC1 ZINC000745592478 1078556187 /nfs/dbraw/zinc/55/61/87/1078556187.db2.gz IAYIWAMYBLJJRX-LJQANCHMSA-N 1 1 419.639 2.313 20 10 HECDMO CCO[C@H]1C[C@H](NC(=O)NCC[NH+]2CCN(c3ccc(OC)cc3)CC2)C12CCC2 ZINC000745783926 1078642435 /nfs/dbraw/zinc/64/24/35/1078642435.db2.gz ICKQMMLLVPWRNQ-SFTDATJTSA-N 1 1 416.566 2.464 20 10 HECDMO CN(C)c1ccc(CN(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C2CC2)cc1 ZINC000745830760 1078666334 /nfs/dbraw/zinc/66/63/34/1078666334.db2.gz PYKPWOHMTFCNEY-SFHVURJKSA-N 1 1 401.555 2.014 20 10 HECDMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)N2CCCN(c3ccc(OC)cc3)CC2)CC1 ZINC000745861704 1078676916 /nfs/dbraw/zinc/67/69/16/1078676916.db2.gz DTHJEJKXNSJIIJ-FQEVSTJZSA-N 1 1 417.598 2.191 20 10 HECDMO CC[NH+]1CCN(C[C@H](C)CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)CC1 ZINC000745863109 1078678220 /nfs/dbraw/zinc/67/82/20/1078678220.db2.gz RAIMKVRNNJGDRU-CTNGQTDRSA-N 1 1 418.582 2.356 20 10 HECDMO CC1(C)CCC[N@@H+](CCNC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C1 ZINC000770299787 1078822126 /nfs/dbraw/zinc/82/21/26/1078822126.db2.gz MCBRKCYJQVCYRE-IBGZPJMESA-N 1 1 415.582 2.310 20 10 HECDMO CCC[C@@]1(CO)CCCN1C(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000770423994 1078846966 /nfs/dbraw/zinc/84/69/66/1078846966.db2.gz FBMVJKRUCHHEKZ-QFIPXVFZSA-N 1 1 404.555 2.154 20 10 HECDMO C[NH+]1CCN(C(=O)Cc2cccc(NCc3ccc(N4CCOCC4)cc3)c2)CC1 ZINC000770601980 1078893805 /nfs/dbraw/zinc/89/38/05/1078893805.db2.gz GISUVHPHJORQRA-UHFFFAOYSA-N 1 1 408.546 2.452 20 10 HECDMO COc1cc(CNc2ccc3c(c2)[nH+]cn3C)ccc1OCC(=O)N1CCOCC1 ZINC000770588761 1078898692 /nfs/dbraw/zinc/89/86/92/1078898692.db2.gz LFLFMYZZISREPS-UHFFFAOYSA-N 1 1 410.474 2.432 20 10 HECDMO CC[C@H](NC(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1)C1CCOCC1 ZINC000746414917 1078913813 /nfs/dbraw/zinc/91/38/13/1078913813.db2.gz WEPHLHXOARTWBO-NRFANRHFSA-N 1 1 404.555 2.322 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)c3ccc(-c4n[nH]c(C)n4)cc3)CC2)cc1 ZINC000746174677 1079093480 /nfs/dbraw/zinc/09/34/80/1079093480.db2.gz OCKSRSCHYVNHOR-UHFFFAOYSA-N 1 1 420.517 2.341 20 10 HECDMO CNC(=O)c1ccc(C(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)cn1 ZINC000771059413 1079119645 /nfs/dbraw/zinc/11/96/45/1079119645.db2.gz QVXQNXSBCFSEMO-INIZCTEOSA-N 1 1 402.882 2.195 20 10 HECDMO COc1ccc(N2CCC(NC(=O)C(=O)NC[C@@H]3[N@@H+](C)CCCC3(C)C)CC2)cc1 ZINC000804318464 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/nfs/dbraw/zinc/15/11/73/1076151173.db2.gz LCMOJYGIYWONEM-ZIFCJYIRSA-N 1 1 401.555 2.012 20 10 HECDMO C[C@@H](C(=O)OCC(=O)NCc1ccc(N2CCOCC2)c(F)c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000741015517 1076325223 /nfs/dbraw/zinc/32/52/23/1076325223.db2.gz BZBGFQKWRSYXPT-BBWFWOEESA-N 1 1 421.513 2.083 20 10 HECDMO C[C@@H](C(=O)OCC(=O)NCc1ccc(N2CCOCC2)c(F)c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000741015517 1076325227 /nfs/dbraw/zinc/32/52/27/1076325227.db2.gz BZBGFQKWRSYXPT-BBWFWOEESA-N 1 1 421.513 2.083 20 10 HECDMO COc1ccc(N2CCN(C(=O)COC(=O)[C@@H](C)[N@H+]3[C@H](C)CC[C@@H]3C)CC2)cc1 ZINC000741018382 1076338204 /nfs/dbraw/zinc/33/82/04/1076338204.db2.gz RIXRJUNDYGSFGL-FGTMMUONSA-N 1 1 403.523 2.148 20 10 HECDMO COc1ccc(N2CCN(C(=O)COC(=O)[C@@H](C)[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)cc1 ZINC000741018382 1076338210 /nfs/dbraw/zinc/33/82/10/1076338210.db2.gz RIXRJUNDYGSFGL-FGTMMUONSA-N 1 1 403.523 2.148 20 10 HECDMO C[C@H](C(=O)OCC(=O)NCc1ccc(N2CCOCC2)c(F)c1)[NH+]1CCCCCC1 ZINC000741030849 1076344296 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COc1ccc(N2CC[NH+](CCNC(=O)c3cc(C)nc4c3c(C)nn4C)CC2)cc1 ZINC000742920212 1076897782 /nfs/dbraw/zinc/89/77/82/1076897782.db2.gz GLTLOFGELOUXDB-UHFFFAOYSA-N 1 1 422.533 2.146 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)c3ccc4c(c3)CCC(=O)N4)CC2)cc1 ZINC000742927318 1076898493 /nfs/dbraw/zinc/89/84/93/1076898493.db2.gz ODGXVJXPBHCTRL-UHFFFAOYSA-N 1 1 408.502 2.132 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)c3ccc(-n4cccn4)cc3)CC2)cc1 ZINC000742927389 1076898566 /nfs/dbraw/zinc/89/85/66/1076898566.db2.gz QBOUZDUYKGDEOX-UHFFFAOYSA-N 1 1 405.502 2.433 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)Cc3ccc(OC)c(F)c3)CC2)cc1 ZINC000742927108 1076898656 /nfs/dbraw/zinc/89/86/56/1076898656.db2.gz INTWOJRJGLCIQS-UHFFFAOYSA-N 1 1 401.482 2.324 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)NCCc3ccccc3F)CC2)cc1 ZINC000742947377 1076899503 /nfs/dbraw/zinc/89/95/03/1076899503.db2.gz CTYQJLYYJHBVKW-UHFFFAOYSA-N 1 1 400.498 2.498 20 10 HECDMO COc1ccc(N2CCN(CCNC(=O)NC3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CC2)cc1 ZINC000743567811 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ZZCLTZAHFYYLJR-RBBKRZOGSA-N 1 1 405.583 2.317 20 10 HECDMO COCC[C@H]1CCCC[N@@H+](C[C@@H](O)CN2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000767943620 1080235954 /nfs/dbraw/zinc/23/59/54/1080235954.db2.gz ZZCLTZAHFYYLJR-IRLDBZIGSA-N 1 1 405.583 2.317 20 10 HECDMO CCN(CC)c1ccc(CNC(=O)C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000785865150 1080287855 /nfs/dbraw/zinc/28/78/55/1080287855.db2.gz HMOYVHVRAMKGAW-QZTJIDSGSA-N 1 1 418.582 2.153 20 10 HECDMO CCN(CC)c1ccc(CNC(=O)C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000785865146 1080288086 /nfs/dbraw/zinc/28/80/86/1080288086.db2.gz HMOYVHVRAMKGAW-HDICACEKSA-N 1 1 418.582 2.153 20 10 HECDMO CCN(CC)c1ccc(CNC(=O)C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000785865146 1080288098 /nfs/dbraw/zinc/28/80/98/1080288098.db2.gz HMOYVHVRAMKGAW-HDICACEKSA-N 1 1 418.582 2.153 20 10 HECDMO CCS(=O)(=O)CCN(C)C(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000768121250 1080336244 /nfs/dbraw/zinc/33/62/44/1080336244.db2.gz ORLXLQUCXXCHIZ-UHFFFAOYSA-N 1 1 405.564 2.301 20 10 HECDMO COc1cc(C[N@@H+]2CCCN(S(=O)(=O)c3c(C)noc3C)CC2)c(O)cc1C ZINC000768440613 1080561258 /nfs/dbraw/zinc/56/12/58/1080561258.db2.gz BBAUCDOSQASNTA-UHFFFAOYSA-N 1 1 409.508 2.211 20 10 HECDMO COc1cc(C[N@H+]2CCCN(S(=O)(=O)c3c(C)noc3C)CC2)c(O)cc1C ZINC000768440613 1080561269 /nfs/dbraw/zinc/56/12/69/1080561269.db2.gz BBAUCDOSQASNTA-UHFFFAOYSA-N 1 1 409.508 2.211 20 10 HECDMO Cc1cccc(NC(=O)CN2CC[NH+](Cc3cc4c(cc3O)OC[C@@H]4O)CC2)c1C ZINC000768441425 1080562225 /nfs/dbraw/zinc/56/22/25/1080562225.db2.gz HVKHDYDPBKEVPH-NRFANRHFSA-N 1 1 411.502 2.191 20 10 HECDMO Cc1cccc(NC(=O)CN2CC[NH+](Cc3cc4c(cc3O)OC[C@H]4O)CC2)c1C ZINC000768441427 1080562488 /nfs/dbraw/zinc/56/24/88/1080562488.db2.gz HVKHDYDPBKEVPH-OAQYLSRUSA-N 1 1 411.502 2.191 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)N[C@H]3CCOC4(CCC4)C3)CC2)cc1 ZINC000768522356 1080608378 /nfs/dbraw/zinc/60/83/78/1080608378.db2.gz MHKNIEGKPYKJCG-SFHVURJKSA-N 1 1 402.539 2.218 20 10 HECDMO O=C(N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)c1cccc(-n2cnnn2)c1 ZINC000768912603 1080851364 /nfs/dbraw/zinc/85/13/64/1080851364.db2.gz PGZBDCGQNROOKF-QGZVFWFLSA-N 1 1 412.881 2.416 20 10 HECDMO O=C(N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)c1ccccc1-n1cnnn1 ZINC000768913298 1080852566 /nfs/dbraw/zinc/85/25/66/1080852566.db2.gz YQWGNUFPZDEROO-INIZCTEOSA-N 1 1 412.881 2.416 20 10 HECDMO COc1cccc(C[NH+]2CCN(C(=O)c3ccc(OC)c(OC)c3OC)CC2)c1O ZINC000769539739 1081115881 /nfs/dbraw/zinc/11/58/81/1081115881.db2.gz MOVUWIGUYBTVLT-UHFFFAOYSA-N 1 1 416.474 2.385 20 10 HECDMO CCNC(=O)NC(=O)[C@H](C)OC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000769664496 1078505164 /nfs/dbraw/zinc/50/51/64/1078505164.db2.gz FIAHCZKZOUFWMJ-HNNXBMFYSA-N 1 1 414.506 2.185 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)N[C@H]3C[C@](C)(OC)C3(C)C)CC2)cc1 ZINC000745784568 1078641952 /nfs/dbraw/zinc/64/19/52/1078641952.db2.gz XXCPYXOBISZWEV-UGKGYDQZSA-N 1 1 404.555 2.320 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)N3CCCC4(CCOCC4)C3)CC2)cc1 ZINC000745784114 1078642005 /nfs/dbraw/zinc/64/20/05/1078642005.db2.gz MWNKVYCGBSDVQW-UHFFFAOYSA-N 1 1 416.566 2.419 20 10 HECDMO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000745830869 1078666464 /nfs/dbraw/zinc/66/64/64/1078666464.db2.gz CIWWVIYLAACVET-LJQANCHMSA-N 1 1 403.571 2.260 20 10 HECDMO COc1ccc(S(=O)(=O)N2CCC[N@H+](Cc3cccc(OC)c3O)CC2)cc1 ZINC000770356772 1078839870 /nfs/dbraw/zinc/83/98/70/1078839870.db2.gz YPQUEGMZDSSXDY-UHFFFAOYSA-N 1 1 406.504 2.306 20 10 HECDMO COc1ccc(S(=O)(=O)N2CCC[N@@H+](Cc3cccc(OC)c3O)CC2)cc1 ZINC000770356772 1078839872 /nfs/dbraw/zinc/83/98/72/1078839872.db2.gz YPQUEGMZDSSXDY-UHFFFAOYSA-N 1 1 406.504 2.306 20 10 HECDMO CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000770436483 1078854307 /nfs/dbraw/zinc/85/43/07/1078854307.db2.gz VWQSOPYBRLIXCY-BLLLJJGKSA-N 1 1 400.317 2.405 20 10 HECDMO CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000770436483 1078854311 /nfs/dbraw/zinc/85/43/11/1078854311.db2.gz VWQSOPYBRLIXCY-BLLLJJGKSA-N 1 1 400.317 2.405 20 10 HECDMO CC[N@H+]1CC[C@H](N(C)C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)[C@H](C)C1 ZINC000746317111 1078855975 /nfs/dbraw/zinc/85/59/75/1078855975.db2.gz OFJWZSCLTWCMRO-QFUCXCTJSA-N 1 1 415.582 2.260 20 10 HECDMO C[C@@H]1CN(c2ccc(CNC(=O)C[NH2+][C@H](CO)c3ccsc3)cc2F)C[C@H](C)O1 ZINC000770690709 1078960413 /nfs/dbraw/zinc/96/04/13/1078960413.db2.gz YLNVGIQENZVSJH-ZRGWGRIASA-N 1 1 421.538 2.440 20 10 HECDMO O=C(N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)c1ccc(-n2cncn2)nc1 ZINC000771055788 1079116543 /nfs/dbraw/zinc/11/65/43/1079116543.db2.gz FDZUMBOIEXYVRH-QGZVFWFLSA-N 1 1 412.881 2.416 20 10 HECDMO CNC(=O)c1ccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)cn1 ZINC000771059414 1079119628 /nfs/dbraw/zinc/11/96/28/1079119628.db2.gz QVXQNXSBCFSEMO-MRXNPFEDSA-N 1 1 402.882 2.195 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)c3ccc(-c4nc[nH]n4)cc3)CC2)cc1 ZINC000771288572 1079241771 /nfs/dbraw/zinc/24/17/71/1079241771.db2.gz TWAJBKQBCDOAKL-UHFFFAOYSA-N 1 1 406.490 2.032 20 10 HECDMO C[C@@H](NC(=O)NC(C)(C)CCN1CC[NH+](C)CC1)c1ccc(N2CCOCC2)cc1 ZINC000771308863 1079277677 /nfs/dbraw/zinc/27/76/77/1079277677.db2.gz BBCHZICQSJUAKW-LJQANCHMSA-N 1 1 417.598 2.300 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)NC[C@@](C)(O)c3ccsc3)CC2)cc1 ZINC000740909506 1076288555 /nfs/dbraw/zinc/28/85/55/1076288555.db2.gz FYWKFGSBCQNYOF-OAQYLSRUSA-N 1 1 418.563 2.086 20 10 HECDMO 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 1076628766 /nfs/dbraw/zinc/62/87/66/1076628766.db2.gz AZYHTTFVLTVODG-FTEYMNFISA-N 1 1 420.573 2.470 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)NC[C@H]3COc4ccccc4C3)CC2)cc1 ZINC000742939908 1076896641 /nfs/dbraw/zinc/89/66/41/1076896641.db2.gz LOUPUIHEWGSAPC-IBGZPJMESA-N 1 1 424.545 2.368 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)Nc3nnc(C4CC4)s3)CC2)cc1 ZINC000742928026 1076898635 /nfs/dbraw/zinc/89/86/35/1076898635.db2.gz HLIMSUGGIUJXLD-UHFFFAOYSA-N 1 1 402.524 2.368 20 10 HECDMO COCc1cccc(CNC(=O)NCC[NH+]2CCN(c3ccc(OC)cc3)CC2)c1 ZINC000742947597 1076899330 /nfs/dbraw/zinc/89/93/30/1076899330.db2.gz INAAKGVYJPDGOM-UHFFFAOYSA-N 1 1 412.534 2.463 20 10 HECDMO COc1ccc(N2CCN(CCNC(=O)NC[C@H](c3ccco3)[NH+](C)C)CC2)cc1 ZINC000743363687 1077032901 /nfs/dbraw/zinc/03/29/01/1077032901.db2.gz VSYQSPMUKHPXNL-HXUWFJFHSA-N 1 1 415.538 2.012 20 10 HECDMO 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 1077386788 /nfs/dbraw/zinc/38/67/88/1077386788.db2.gz SHNKCZNCPVHHAU-GGPKGHCWSA-N 1 1 420.573 2.329 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)N[C@@H](CCO)C3CCCCC3)CC2)cc1 ZINC000766913221 1079503947 /nfs/dbraw/zinc/50/39/47/1079503947.db2.gz DTHHGCCQKKEUHY-QFIPXVFZSA-N 1 1 418.582 2.448 20 10 HECDMO Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000771791286 1079508873 /nfs/dbraw/zinc/50/88/73/1079508873.db2.gz LPGAYPDKCIWVSS-UHFFFAOYSA-N 1 1 416.547 2.312 20 10 HECDMO Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000771791286 1079508882 /nfs/dbraw/zinc/50/88/82/1079508882.db2.gz LPGAYPDKCIWVSS-UHFFFAOYSA-N 1 1 416.547 2.312 20 10 HECDMO C[C@H]1CC[N@@H+](CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C[C@H]1n1ccnc1 ZINC000767432030 1079860483 /nfs/dbraw/zinc/86/04/83/1079860483.db2.gz DSDUQNUQYQJJIS-LAUBAEHRSA-N 1 1 415.513 2.058 20 10 HECDMO COc1cc(Br)cc(C[N@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)c1O ZINC000768234043 1080434418 /nfs/dbraw/zinc/43/44/18/1080434418.db2.gz GKEYKNMHQFZFOZ-CYBMUJFWSA-N 1 1 413.312 2.234 20 10 HECDMO Cc1cccc(C)c1NC(=O)CN1CC[NH+](Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000768440777 1080561133 /nfs/dbraw/zinc/56/11/33/1080561133.db2.gz DLOJRGQIUSCGDV-HXUWFJFHSA-N 1 1 411.502 2.191 20 10 HECDMO COc1cc(O)c(C[NH+]2CCN(CC(=O)N[C@H]3CCC[C@H](C)C3)CC2)cc1OC ZINC000768451073 1080567303 /nfs/dbraw/zinc/56/73/03/1080567303.db2.gz LSKLURBSGHVIIN-WMZOPIPTSA-N 1 1 405.539 2.222 20 10 HECDMO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)O[C@H](C)CN(C)S(C)(=O)=O)C1 ZINC000786607188 1080705402 /nfs/dbraw/zinc/70/54/02/1080705402.db2.gz QXKGTIDEQCEJCR-MRXNPFEDSA-N 1 1 421.563 2.231 20 10 HECDMO Cc1ccnc2nc(C(=O)N[C@H]3CCC[N@H+](Cc4cc(Cl)ccc4O)C3)nn21 ZINC000768914471 1080853816 /nfs/dbraw/zinc/85/38/16/1080853816.db2.gz DCKKVOWHFALNBY-HNNXBMFYSA-N 1 1 400.870 2.186 20 10 HECDMO Cc1ccnc2nc(C(=O)N[C@H]3CCC[N@@H+](Cc4cc(Cl)ccc4O)C3)nn21 ZINC000768914471 1080853818 /nfs/dbraw/zinc/85/38/18/1080853818.db2.gz DCKKVOWHFALNBY-HNNXBMFYSA-N 1 1 400.870 2.186 20 10 HECDMO Cc1ccc(S(=O)(=O)NCCN2CC[NH+](Cc3c(O)cccc3Cl)CC2)cc1 ZINC000769379797 1081057892 /nfs/dbraw/zinc/05/78/92/1081057892.db2.gz NBJLNJVFKBLMEB-UHFFFAOYSA-N 1 1 423.966 2.450 20 10 HECDMO C[NH+]1CCN(C(=O)CCNC(=O)N(Cc2ccccc2O)C2CCCCC2)CC1 ZINC000745489656 1078497948 /nfs/dbraw/zinc/49/79/48/1078497948.db2.gz SEEKEJVPULKKSR-UHFFFAOYSA-N 1 1 402.539 2.401 20 10 HECDMO CCN1CCN(c2ccc(CNC(=O)N3CC[C@H]4CC[C@@H](C3)[N@@H+]4C)cc2F)CC1 ZINC000745809466 1078655581 /nfs/dbraw/zinc/65/55/81/1078655581.db2.gz SSTQTIWTDNILPB-MOPGFXCFSA-N 1 1 403.546 2.346 20 10 HECDMO CCN1CCN(c2ccc(CNC(=O)N3CC[C@H]4CC[C@@H](C3)[N@H+]4C)cc2F)CC1 ZINC000745809466 1078655585 /nfs/dbraw/zinc/65/55/85/1078655585.db2.gz SSTQTIWTDNILPB-MOPGFXCFSA-N 1 1 403.546 2.346 20 10 HECDMO C[C@@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000770157025 1078758013 /nfs/dbraw/zinc/75/80/13/1078758013.db2.gz MGWFJSWTOGJLNV-CVEARBPZSA-N 1 1 417.531 2.499 20 10 HECDMO C[C@@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000770157025 1078758017 /nfs/dbraw/zinc/75/80/17/1078758017.db2.gz MGWFJSWTOGJLNV-CVEARBPZSA-N 1 1 417.531 2.499 20 10 HECDMO NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CCC[N@@H+]3Cc3ccccn3)cc2)C1 ZINC000746147459 1078806150 /nfs/dbraw/zinc/80/61/50/1078806150.db2.gz PBKAYZAABRKPMT-UGKGYDQZSA-N 1 1 421.545 2.064 20 10 HECDMO NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CCC[N@H+]3Cc3ccccn3)cc2)C1 ZINC000746147459 1078806153 /nfs/dbraw/zinc/80/61/53/1078806153.db2.gz PBKAYZAABRKPMT-UGKGYDQZSA-N 1 1 421.545 2.064 20 10 HECDMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)C1 ZINC000746315747 1078855285 /nfs/dbraw/zinc/85/52/85/1078855285.db2.gz DAPDVNQUZDDOJR-OALUTQOASA-N 1 1 420.554 2.155 20 10 HECDMO CC[N@H+]1CCO[C@H](C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)C1 ZINC000746315747 1078855288 /nfs/dbraw/zinc/85/52/88/1078855288.db2.gz DAPDVNQUZDDOJR-OALUTQOASA-N 1 1 420.554 2.155 20 10 HECDMO O=C(NCCCSc1nccs1)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000804278258 1079003263 /nfs/dbraw/zinc/00/32/63/1079003263.db2.gz RXVRVQJZPYQJJU-QGZVFWFLSA-N 1 1 418.588 2.380 20 10 HECDMO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@@H](Cn1cccn1)c1ccccc1)cc2=O ZINC000746468628 1079018360 /nfs/dbraw/zinc/01/83/60/1079018360.db2.gz HNWPEAUFEVZQKN-SFHVURJKSA-N 1 1 406.446 2.339 20 10 HECDMO COc1ccc(N2CCC(NC(=O)C(=O)NC[C@H](C)[N@H+]3CCC[C@@H](C)C3)CC2)cc1 ZINC000804318271 1079235943 /nfs/dbraw/zinc/23/59/43/1079235943.db2.gz GCFHGMYNSBBOGI-MSOLQXFVSA-N 1 1 416.566 2.017 20 10 HECDMO COc1ccc(N2CCC(NC(=O)C(=O)N(C)CC[C@@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000804320233 1079266280 /nfs/dbraw/zinc/26/62/80/1079266280.db2.gz YOAKZTXHHDBAQF-IBGZPJMESA-N 1 1 416.566 2.113 20 10 HECDMO C[C@@H](C(=O)OCC(=O)NCc1ccc(N2CCOCC2)c(F)c1)[NH+]1[C@H](C)CC[C@H]1C ZINC000741015520 1076325701 /nfs/dbraw/zinc/32/57/01/1076325701.db2.gz BZBGFQKWRSYXPT-ZACQAIPSSA-N 1 1 421.513 2.083 20 10 HECDMO COc1ccc(N2CCN(C(=O)COC(=O)[C@@H](C(C)C)[NH+]3CCCCC3)CC2)cc1 ZINC000741013053 1076329049 /nfs/dbraw/zinc/32/90/49/1076329049.db2.gz XVVRKSMWHSKTEB-JOCHJYFZSA-N 1 1 417.550 2.398 20 10 HECDMO C[C@@H](NC(=O)N1CCC([N@@H+](C)CCCO)CC1)c1ccc(N2CCOCC2)cc1 ZINC000741080364 1076356566 /nfs/dbraw/zinc/35/65/66/1076356566.db2.gz ICLDXNYTXYVEJA-GOSISDBHSA-N 1 1 404.555 2.072 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)NC[C@](C)(O)CCC(C)C)CC2)cc1 ZINC000741082350 1076357256 /nfs/dbraw/zinc/35/72/56/1076357256.db2.gz AOJOWDMVEPFGMY-JOCHJYFZSA-N 1 1 406.571 2.304 20 10 HECDMO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741211127 1076405353 /nfs/dbraw/zinc/40/53/53/1076405353.db2.gz JFNCNSFGOFTPLD-QHCPKHFHSA-N 1 1 409.530 2.383 20 10 HECDMO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741211127 1076405356 /nfs/dbraw/zinc/40/53/56/1076405356.db2.gz JFNCNSFGOFTPLD-QHCPKHFHSA-N 1 1 409.530 2.383 20 10 HECDMO O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000741411370 1076514169 /nfs/dbraw/zinc/51/41/69/1076514169.db2.gz LPLWYTINYBPJTE-DEOSSOPVSA-N 1 1 406.530 2.499 20 10 HECDMO C[C@H](C(=O)NC(=O)NCc1ccccc1)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000741737020 1076615535 /nfs/dbraw/zinc/61/55/35/1076615535.db2.gz XVXGTOAPQNFWCF-GOSISDBHSA-N 1 1 410.518 2.370 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)NCCOc3ccc(F)cc3)CC2)cc1 ZINC000742939251 1076896520 /nfs/dbraw/zinc/89/65/20/1076896520.db2.gz CBVSVOOEVMKEEG-UHFFFAOYSA-N 1 1 416.497 2.335 20 10 HECDMO COCc1ccc(CNC(=O)NCC[NH+]2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000742939282 1076896566 /nfs/dbraw/zinc/89/65/66/1076896566.db2.gz CLTYDVMDCJHFBQ-UHFFFAOYSA-N 1 1 412.534 2.463 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)N(C)Cc3c(C)noc3C)CC2)cc1 ZINC000742940630 1076896573 /nfs/dbraw/zinc/89/65/73/1076896573.db2.gz VYWWAIMDJRNIRY-UHFFFAOYSA-N 1 1 401.511 2.264 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)Cc3cnn(-c4ccccc4)c3)CC2)cc1 ZINC000742919628 1076897552 /nfs/dbraw/zinc/89/75/52/1076897552.db2.gz AICHHQZDYNKDJF-UHFFFAOYSA-N 1 1 419.529 2.362 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)c3ccc(-n4ccnc4)cc3)CC2)cc1 ZINC000742919084 1076897684 /nfs/dbraw/zinc/89/76/84/1076897684.db2.gz CFXPUEGJBGQBBI-UHFFFAOYSA-N 1 1 405.502 2.433 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)/C(=C\c3ccccc3)NC(C)=O)CC2)cc1 ZINC000742927419 1076898485 /nfs/dbraw/zinc/89/84/85/1076898485.db2.gz QUAIXXLHXYPENV-PTGBLXJZSA-N 1 1 422.529 2.111 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)Nc3ccc4c(c3)OCCO4)CC2)cc1 ZINC000742928573 1076898671 /nfs/dbraw/zinc/89/86/71/1076898671.db2.gz WNQQFWPCDMBWHZ-UHFFFAOYSA-N 1 1 412.490 2.410 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)c3cc(Br)cn3C)CC2)cc1 ZINC000742948550 1076899598 /nfs/dbraw/zinc/89/95/98/1076899598.db2.gz XZZMEYXVMQLFAQ-UHFFFAOYSA-N 1 1 421.339 2.348 20 10 HECDMO Cc1[nH+]ccn1CCCCNC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000743632066 1077083290 /nfs/dbraw/zinc/08/32/90/1077083290.db2.gz XQUZEFXYNCOAER-LJQANCHMSA-N 1 1 412.538 2.173 20 10 HECDMO CC[N@@H+](CC(=O)N1CCC(C(=O)OC)CC1)Cc1cc(Br)ccc1O ZINC000743870966 1077157104 /nfs/dbraw/zinc/15/71/04/1077157104.db2.gz JOZRLOIDXIDCRK-UHFFFAOYSA-N 1 1 413.312 2.388 20 10 HECDMO COc1ccc(N2CC[NH+](CCCNS(=O)(=O)c3nc(C)c(C)s3)CC2)cc1 ZINC000771934091 1079589863 /nfs/dbraw/zinc/58/98/63/1079589863.db2.gz VYOKZHNGVIAFMG-UHFFFAOYSA-N 1 1 424.592 2.259 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)N[C@H]3CCO[C@@H](C(C)C)C3)CC2)cc1 ZINC000771953555 1079599924 /nfs/dbraw/zinc/59/99/24/1079599924.db2.gz QQWZUWRAVKPVGC-GHTZIAJQSA-N 1 1 404.555 2.320 20 10 HECDMO C[C@H]1CC[N@@H+](CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C[C@@H]1n1ccnc1 ZINC000767432038 1079860331 /nfs/dbraw/zinc/86/03/31/1079860331.db2.gz DSDUQNUQYQJJIS-UWJYYQICSA-N 1 1 415.513 2.058 20 10 HECDMO Cc1cc(C(=O)C[N@@H+](C[C@@H](C)O)[C@H](C)CO)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000785533402 1080043380 /nfs/dbraw/zinc/04/33/80/1080043380.db2.gz DVADZXRFHXENTM-HZPDHXFCSA-N 1 1 402.491 2.112 20 10 HECDMO Cc1cc(C(=O)C[N@H+](C[C@@H](C)O)[C@H](C)CO)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000785533402 1080043389 /nfs/dbraw/zinc/04/33/89/1080043389.db2.gz DVADZXRFHXENTM-HZPDHXFCSA-N 1 1 402.491 2.112 20 10 HECDMO COC(=O)c1ccc(-n2c(C)cc(C(=O)C[N@H+](C[C@@H](C)O)[C@@H](C)CO)c2C)cc1 ZINC000785537519 1080047370 /nfs/dbraw/zinc/04/73/70/1080047370.db2.gz QHZCUVMHLYHKKW-JKSUJKDBSA-N 1 1 402.491 2.127 20 10 HECDMO COC(=O)c1ccc(-n2c(C)cc(C(=O)C[N@@H+](C[C@@H](C)O)[C@@H](C)CO)c2C)cc1 ZINC000785537519 1080047380 /nfs/dbraw/zinc/04/73/80/1080047380.db2.gz QHZCUVMHLYHKKW-JKSUJKDBSA-N 1 1 402.491 2.127 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)N3CC(C)(C)OC(C)(C)C3)CC2)cc1 ZINC000785566877 1080080733 /nfs/dbraw/zinc/08/07/33/1080080733.db2.gz AMGJWVTZDFWIJT-UHFFFAOYSA-N 1 1 404.555 2.416 20 10 HECDMO COc1cc(O)c(C[NH+]2CCN(CC(=O)N[C@H]3CCC[C@@H](C)C3)CC2)cc1OC ZINC000768451069 1080567237 /nfs/dbraw/zinc/56/72/37/1080567237.db2.gz LSKLURBSGHVIIN-AEFFLSMTSA-N 1 1 405.539 2.222 20 10 HECDMO CN(CC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)[C@H]1CCSC1 ZINC000768911920 1080852555 /nfs/dbraw/zinc/85/25/55/1080852555.db2.gz TULPPMDUAKOTPO-NRFANRHFSA-N 1 1 402.608 2.272 20 10 HECDMO O=C(N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)c1cnc2n(c1=O)CCS2 ZINC000768913425 1080852590 /nfs/dbraw/zinc/85/25/90/1080852590.db2.gz ZUFHFZGMTFSOTQ-CQSZACIVSA-N 1 1 420.922 2.102 20 10 HECDMO COCCCNC(=O)[C@H](C)N1CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000769331011 1081044461 /nfs/dbraw/zinc/04/44/61/1081044461.db2.gz YUFBEEPBDJJCRX-FQEVSTJZSA-N 1 1 402.583 2.336 20 10 HECDMO COC(=O)c1ccc(S(=O)(=O)Nc2cccc(N3CC[NH+](C(C)C)CC3)c2)cn1 ZINC000769672057 1078512497 /nfs/dbraw/zinc/51/24/97/1078512497.db2.gz MTBZPRPVPSAOAA-UHFFFAOYSA-N 1 1 418.519 2.199 20 10 HECDMO COc1ccc(N2CCN(C[C@H](O)C[N@H+]3CC[C@H](CC(F)(F)F)C3)CC2)cc1 ZINC000769867522 1078587422 /nfs/dbraw/zinc/58/74/22/1078587422.db2.gz XZMMFGCFZFSHGH-AEFFLSMTSA-N 1 1 401.473 2.452 20 10 HECDMO CCO[C@@H]1C[C@H](NC(=O)NCC[NH+]2CCN(c3ccc(OC)cc3)CC2)C12CCC2 ZINC000745783923 1078642030 /nfs/dbraw/zinc/64/20/30/1078642030.db2.gz ICKQMMLLVPWRNQ-LEWJYISDSA-N 1 1 416.566 2.464 20 10 HECDMO CN(C)c1ccc(CN(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C2CC2)cc1 ZINC000745830758 1078666361 /nfs/dbraw/zinc/66/63/61/1078666361.db2.gz PYKPWOHMTFCNEY-GOSISDBHSA-N 1 1 401.555 2.014 20 10 HECDMO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000770157030 1078758166 /nfs/dbraw/zinc/75/81/66/1078758166.db2.gz MGWFJSWTOGJLNV-HZPDHXFCSA-N 1 1 417.531 2.499 20 10 HECDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000770157030 1078758175 /nfs/dbraw/zinc/75/81/75/1078758175.db2.gz MGWFJSWTOGJLNV-HZPDHXFCSA-N 1 1 417.531 2.499 20 10 HECDMO CC1(C)CCC[N@@H+](CCNC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C1 ZINC000770299788 1078822225 /nfs/dbraw/zinc/82/22/25/1078822225.db2.gz MCBRKCYJQVCYRE-LJQANCHMSA-N 1 1 415.582 2.310 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)NCCC[C@@H]3CCCC[C@H]3O)CC2)cc1 ZINC000770365594 1078831525 /nfs/dbraw/zinc/83/15/25/1078831525.db2.gz QVZGCBPFKSFXHB-SIKLNZKXSA-N 1 1 418.582 2.448 20 10 HECDMO CC[N@H+]1CC[C@H](N(C)C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)[C@@H](C)C1 ZINC000746317104 1078855905 /nfs/dbraw/zinc/85/59/05/1078855905.db2.gz OFJWZSCLTWCMRO-DSKINZAPSA-N 1 1 415.582 2.260 20 10 HECDMO COc1ccc(N2CCN(C[C@H](O)C[N@H+]3CC[C@]4(C3)OCc3ccccc34)CC2)cc1 ZINC000770687810 1078957147 /nfs/dbraw/zinc/95/71/47/1078957147.db2.gz DYAWPULIRWLTFV-WIOPSUGQSA-N 1 1 423.557 2.310 20 10 HECDMO O=C(N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000771054995 1079116043 /nfs/dbraw/zinc/11/60/43/1079116043.db2.gz AWLIEKTVJBGITP-CYBMUJFWSA-N 1 1 406.826 2.449 20 10 HECDMO O=C(CNC(=O)c1ccc(O)cc1)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000771059442 1079119614 /nfs/dbraw/zinc/11/96/14/1079119614.db2.gz RIFVYLMJZMZXJR-QGZVFWFLSA-N 1 1 417.893 2.262 20 10 HECDMO COc1ccc(N2CCC(NC(=O)NC(C)(C)CCN3CC[NH+](C)CC3)CC2)cc1 ZINC000771316491 1079282398 /nfs/dbraw/zinc/28/23/98/1079282398.db2.gz OXESGXUXWXJNHL-UHFFFAOYSA-N 1 1 417.598 2.379 20 10 HECDMO CC[N@H+]1CC[C@@H](N(C)CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C[C@@H]1C ZINC000740883388 1076282042 /nfs/dbraw/zinc/28/20/42/1076282042.db2.gz OFVSQODQPPOPMP-PKOBYXMFSA-N 1 1 406.546 2.083 20 10 HECDMO COc1ccc(N2CCN(C(=O)COC(=O)[C@@H](C(C)C)[NH+]3CCCC3)CC2)cc1 ZINC000741014141 1076329349 /nfs/dbraw/zinc/32/93/49/1076329349.db2.gz QSXFRIXHGLJWSP-OAQYLSRUSA-N 1 1 403.523 2.007 20 10 HECDMO C[C@@H](O)C[N@H+](CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)Cc1ccccc1 ZINC000741251719 1076420741 /nfs/dbraw/zinc/42/07/41/1076420741.db2.gz MDLVQGLKBYEVMM-GOSISDBHSA-N 1 1 415.509 2.162 20 10 HECDMO C[C@@H](O)C[N@@H+](CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)Cc1ccccc1 ZINC000741251719 1076420745 /nfs/dbraw/zinc/42/07/45/1076420745.db2.gz MDLVQGLKBYEVMM-GOSISDBHSA-N 1 1 415.509 2.162 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)C[C@H](NC(C)=O)c3ccccc3)CC2)cc1 ZINC000742917386 1076897307 /nfs/dbraw/zinc/89/73/07/1076897307.db2.gz VXNKHSCGTPFRGO-QHCPKHFHSA-N 1 1 424.545 2.201 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)Nc3cnn(-c4ccccn4)c3)CC2)cc1 ZINC000743183245 1076987085 /nfs/dbraw/zinc/98/70/85/1076987085.db2.gz KMPKMMLIXNDPAZ-UHFFFAOYSA-N 1 1 421.505 2.220 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)Nc3cnc4c(c3)c(C)nn4C)CC2)cc1 ZINC000743294454 1077025989 /nfs/dbraw/zinc/02/59/89/1077025989.db2.gz JUEPRQATIYQSKC-UHFFFAOYSA-N 1 1 423.521 2.229 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)N[C@@H]3[C@@H]4CCCO[C@@H]4C3(C)C)CC2)cc1 ZINC000743566883 1077074191 /nfs/dbraw/zinc/07/41/91/1077074191.db2.gz KSOGCZUJHNFOCL-HBMCJLEFSA-N 1 1 416.566 2.320 20 10 HECDMO COCC[N@H+]1CC[C@@H](NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1 ZINC000743626817 1077082775 /nfs/dbraw/zinc/08/27/75/1077082775.db2.gz NREPGVWNEDEOPR-HZPDHXFCSA-N 1 1 412.481 2.277 20 10 HECDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000743806631 1077126687 /nfs/dbraw/zinc/12/66/87/1077126687.db2.gz MYDYBDGJBZWYOD-QGZVFWFLSA-N 1 1 417.531 2.358 20 10 HECDMO CC[N@@H+](CC(=O)NCCCN1CCCC1=O)Cc1cc(Br)ccc1O ZINC000743871061 1077155889 /nfs/dbraw/zinc/15/58/89/1077155889.db2.gz OJKRMGREFNEPQR-UHFFFAOYSA-N 1 1 412.328 2.105 20 10 HECDMO CC[C@H](CO)[NH+]1CCN(CC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)CC1 ZINC000744420199 1077378774 /nfs/dbraw/zinc/37/87/74/1077378774.db2.gz YENMTRHUNNDGQT-GOSISDBHSA-N 1 1 413.518 2.394 20 10 HECDMO C[NH+](C)CCCC1CCN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000767006309 1079583714 /nfs/dbraw/zinc/58/37/14/1079583714.db2.gz ZCTBXIHIRCETNB-UHFFFAOYSA-N 1 1 420.573 2.332 20 10 HECDMO C[N@@H+](CCCNC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)Cc1ccccc1 ZINC000785528235 1080038405 /nfs/dbraw/zinc/03/84/05/1080038405.db2.gz OUWKABDSZKJUJE-UHFFFAOYSA-N 1 1 406.530 2.317 20 10 HECDMO CN(C)c1ccc(CNC(=O)C(=O)NCCC[N@@H+](C)Cc2ccccc2)cc1F ZINC000785529777 1080040175 /nfs/dbraw/zinc/04/01/75/1080040175.db2.gz XXJYVPBSPKCICP-UHFFFAOYSA-N 1 1 400.498 2.146 20 10 HECDMO COc1ccc(N2CCN(C(=O)CN3CC[C@H](C[N@@H+](C)CC4CC4)C3)CC2)cc1 ZINC000746494565 1080356986 /nfs/dbraw/zinc/35/69/86/1080356986.db2.gz JOZDMIQYLHOKCK-HXUWFJFHSA-N 1 1 400.567 2.008 20 10 HECDMO COc1cc(O)c(C[N@@H+]2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1OC ZINC000768443040 1080562878 /nfs/dbraw/zinc/56/28/78/1080562878.db2.gz XTFQCJXOJMOUIM-UHFFFAOYSA-N 1 1 424.494 2.445 20 10 HECDMO COc1cc(O)c(C[N@H+]2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1OC ZINC000768443040 1080562887 /nfs/dbraw/zinc/56/28/87/1080562887.db2.gz XTFQCJXOJMOUIM-UHFFFAOYSA-N 1 1 424.494 2.445 20 10 HECDMO Oc1cc2c(cc1C[N@H+]1CCC[C@H](CN3CCN(c4ccccn4)CC3)C1)[C@H](O)CO2 ZINC000768443505 1080563868 /nfs/dbraw/zinc/56/38/68/1080563868.db2.gz FLKOGMYPDYSXPY-XMSQKQJNSA-N 1 1 424.545 2.247 20 10 HECDMO COc1cc(O)c(C[NH+]2CCN(CC(=O)N[C@@H]3CCC[C@@H](C)C3)CC2)cc1OC ZINC000768451071 1080567493 /nfs/dbraw/zinc/56/74/93/1080567493.db2.gz LSKLURBSGHVIIN-SJLPKXTDSA-N 1 1 405.539 2.222 20 10 HECDMO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000768465306 1080585709 /nfs/dbraw/zinc/58/57/09/1080585709.db2.gz GFNAUEDECQQLQM-WBMJQRKESA-N 1 1 402.413 2.441 20 10 HECDMO O=C(CN1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1)N1CCc2ccccc21 ZINC000768823958 1080813100 /nfs/dbraw/zinc/81/31/00/1080813100.db2.gz JMPPZNXNINQJFL-UHFFFAOYSA-N 1 1 420.557 2.230 20 10 HECDMO O=C(N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)c1ccnc(-n2cncn2)c1 ZINC000768913178 1080853042 /nfs/dbraw/zinc/85/30/42/1080853042.db2.gz VXUJRQBGOJHTLT-KRWDZBQOSA-N 1 1 412.881 2.416 20 10 HECDMO NC(=O)COc1ccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)cc1 ZINC000768913018 1080853105 /nfs/dbraw/zinc/85/31/05/1080853105.db2.gz URFPPUQRMSMBTD-QGZVFWFLSA-N 1 1 417.893 2.304 20 10 HECDMO C[C@@H](NC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000787063958 1080975544 /nfs/dbraw/zinc/97/55/44/1080975544.db2.gz IROHRQXTWLGBLQ-RBUKOAKNSA-N 1 1 416.566 2.479 20 10 HECDMO C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])CC2)CC1 ZINC000769338552 1081048573 /nfs/dbraw/zinc/04/85/73/1081048573.db2.gz PMEULGULUCSNND-UHFFFAOYSA-N 1 1 410.902 2.330 20 10 HECDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)OCC(=O)N2CCO[C@@H](C)C2)C1 ZINC000769665145 1078503937 /nfs/dbraw/zinc/50/39/37/1078503937.db2.gz QLHFXSJHTMJMAG-KRWDZBQOSA-N 1 1 413.518 2.198 20 10 HECDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)O[C@@H](C)C(=O)N2CCOCC2)C1 ZINC000769664264 1078502959 /nfs/dbraw/zinc/50/29/59/1078502959.db2.gz CRDYXFLWUIEMHH-KRWDZBQOSA-N 1 1 413.518 2.198 20 10 HECDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C1 ZINC000745690318 1078601527 /nfs/dbraw/zinc/60/15/27/1078601527.db2.gz ASPGZCWXAFGXIQ-VQTJNVASSA-N 1 1 415.582 2.262 20 10 HECDMO CC[NH+]1CCN(c2cccc(NS(=O)(=O)c3cccc4c3OCCO4)c2)CC1 ZINC000769848920 1078609192 /nfs/dbraw/zinc/60/91/92/1078609192.db2.gz RRJLPFHGFJESQU-UHFFFAOYSA-N 1 1 403.504 2.401 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)Nc3cnn(CC(F)F)c3)CC2)cc1 ZINC000746032113 1078744499 /nfs/dbraw/zinc/74/44/99/1078744499.db2.gz ULKIUGSIZZOZEB-UHFFFAOYSA-N 1 1 408.453 2.101 20 10 HECDMO C[C@H](NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000770124735 1078740194 /nfs/dbraw/zinc/74/01/94/1078740194.db2.gz ROQSDQBGQUZCEB-MPGHIAIKSA-N 1 1 412.481 2.275 20 10 HECDMO C[C@H](NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000770124735 1078740197 /nfs/dbraw/zinc/74/01/97/1078740197.db2.gz ROQSDQBGQUZCEB-MPGHIAIKSA-N 1 1 412.481 2.275 20 10 HECDMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)cc1 ZINC000746040244 1078747506 /nfs/dbraw/zinc/74/75/06/1078747506.db2.gz SRLIKAFCASDCLZ-UHFFFAOYSA-N 1 1 423.517 2.042 20 10 HECDMO COc1ccc(N2CC[NH+](CCCNC(=O)c3cc(O)cc([N+](=O)[O-])c3)CC2)cc1 ZINC000770397004 1078841884 /nfs/dbraw/zinc/84/18/84/1078841884.db2.gz SUVZWDDEZBBXTG-UHFFFAOYSA-N 1 1 414.462 2.251 20 10 HECDMO C[C@@H]1CN(c2ccc(CNC(=O)C[NH2+][C@@H](CO)c3ccsc3)cc2F)C[C@@H](C)O1 ZINC000770690702 1078960196 /nfs/dbraw/zinc/96/01/96/1078960196.db2.gz YLNVGIQENZVSJH-CLCXKQKWSA-N 1 1 421.538 2.440 20 10 HECDMO COc1ccc(N2CCC(NC(=O)C(=O)NC[C@H]3[N@@H+](C)CCCC3(C)C)CC2)cc1 ZINC000804318465 1079265752 /nfs/dbraw/zinc/26/57/52/1079265752.db2.gz KPPGGEGHXPHBJJ-HXUWFJFHSA-N 1 1 416.566 2.017 20 10 HECDMO C[C@H](CNC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)C[NH+]1CCOCC1 ZINC000738978682 1076028600 /nfs/dbraw/zinc/02/86/00/1076028600.db2.gz WMQVPVSHALNABM-KURKYZTESA-N 1 1 422.545 2.207 20 10 HECDMO 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 1076162718 /nfs/dbraw/zinc/16/27/18/1076162718.db2.gz GWWJJWYFSVPKTD-VJANTYMQSA-N 1 1 420.573 2.470 20 10 HECDMO O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCO1)NCc1ccc(N2CCOCC2)cc1 ZINC000740742055 1076230272 /nfs/dbraw/zinc/23/02/72/1076230272.db2.gz FWXUULAVOFXVKB-QHCPKHFHSA-N 1 1 409.530 2.431 20 10 HECDMO O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)NCc1ccc(N2CCOCC2)cc1 ZINC000740742055 1076230281 /nfs/dbraw/zinc/23/02/81/1076230281.db2.gz FWXUULAVOFXVKB-QHCPKHFHSA-N 1 1 409.530 2.431 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)N[C@@H](CCO)c3cccs3)CC2)cc1 ZINC000741083598 1076357508 /nfs/dbraw/zinc/35/75/08/1076357508.db2.gz UNHIRYRAWRFHDQ-IBGZPJMESA-N 1 1 418.563 2.302 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)N[C@H](CCO)c3cccs3)CC2)cc1 ZINC000741083599 1076357615 /nfs/dbraw/zinc/35/76/15/1076357615.db2.gz UNHIRYRAWRFHDQ-LJQANCHMSA-N 1 1 418.563 2.302 20 10 HECDMO CCN(CC)c1ccc(C[N@H+](C)CC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000741678164 1076583680 /nfs/dbraw/zinc/58/36/80/1076583680.db2.gz KRARXLIHBRJUNU-UHFFFAOYSA-N 1 1 404.536 2.251 20 10 HECDMO CCN(CC)c1ccc(C[N@@H+](C)CC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000741678164 1076583685 /nfs/dbraw/zinc/58/36/85/1076583685.db2.gz KRARXLIHBRJUNU-UHFFFAOYSA-N 1 1 404.536 2.251 20 10 HECDMO CN(C)c1ccc([C@@H](CNC(=O)CC[NH+]2CCOCC2)NC(=O)OC(C)(C)C)cc1 ZINC000742753868 1076877264 /nfs/dbraw/zinc/87/72/64/1076877264.db2.gz MGKXBUBWEZTZFT-LJQANCHMSA-N 1 1 420.554 2.157 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)NC[C@H](O)c3ccc(C)cc3)CC2)cc1 ZINC000742939972 1076896660 /nfs/dbraw/zinc/89/66/60/1076896660.db2.gz NQSZZMDQGPSHHF-QFIPXVFZSA-N 1 1 412.534 2.158 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)Cc3c(C)nn(C(F)F)c3C)CC2)cc1 ZINC000742917454 1076897320 /nfs/dbraw/zinc/89/73/20/1076897320.db2.gz XEMUUUAXQBYIEU-UHFFFAOYSA-N 1 1 421.492 2.385 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)c3ccc4c(c3)CCN4C(C)=O)CC2)cc1 ZINC000742920633 1076897779 /nfs/dbraw/zinc/89/77/79/1076897779.db2.gz LNTYXYQZQQVLAR-UHFFFAOYSA-N 1 1 422.529 2.156 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)NCCc3cccc(F)c3)CC2)cc1 ZINC000742948049 1076899628 /nfs/dbraw/zinc/89/96/28/1076899628.db2.gz LPUJEUFWQFVRGU-UHFFFAOYSA-N 1 1 400.498 2.498 20 10 HECDMO COc1ccc(N2CCN(CCNC(=O)NC[C@@H](c3ccco3)[NH+](C)C)CC2)cc1 ZINC000743363686 1077033050 /nfs/dbraw/zinc/03/30/50/1077033050.db2.gz VSYQSPMUKHPXNL-FQEVSTJZSA-N 1 1 415.538 2.012 20 10 HECDMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000743594391 1077077615 /nfs/dbraw/zinc/07/76/15/1077077615.db2.gz ULIAIDZEEBEBGN-SZVBFZGTSA-N 1 1 424.492 2.419 20 10 HECDMO C[N@H+](CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)[C@@H](CCO)c1ccccc1 ZINC000743856407 1077143393 /nfs/dbraw/zinc/14/33/93/1077143393.db2.gz JNFARPCTMJITJQ-NRFANRHFSA-N 1 1 415.509 2.334 20 10 HECDMO C[N@@H+](CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)[C@@H](CCO)c1ccccc1 ZINC000743856407 1077143410 /nfs/dbraw/zinc/14/34/10/1077143410.db2.gz JNFARPCTMJITJQ-NRFANRHFSA-N 1 1 415.509 2.334 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)c3ccc(N(C)C)c(F)c3)CC2)cc1 ZINC000743928829 1077254202 /nfs/dbraw/zinc/25/42/02/1077254202.db2.gz ORUBNCVIQDYCEH-UHFFFAOYSA-N 1 1 400.498 2.452 20 10 HECDMO COC(=O)C(C)(C)[C@H]1CCC[N@@H+](CC(=O)N2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000772375762 1079852964 /nfs/dbraw/zinc/85/29/64/1079852964.db2.gz QYZFIZIZLWGSIG-SFHVURJKSA-N 1 1 417.550 2.255 20 10 HECDMO O=C(NCc1ccccc1O)C(=O)Nc1ccnn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000772477718 1079896321 /nfs/dbraw/zinc/89/63/21/1079896321.db2.gz RMLVMHUBMIFGOO-LJQANCHMSA-N 1 1 419.485 2.291 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)NC[C@@H](O)c3cccc(C)c3)CC2)cc1 ZINC000767939709 1080232796 /nfs/dbraw/zinc/23/27/96/1080232796.db2.gz NZFATIKUDZZTPU-JOCHJYFZSA-N 1 1 412.534 2.158 20 10 HECDMO COc1ccc(N2CC[NH+](CCCNC(=O)N[C@H](C)Cc3cc(C)[nH]n3)CC2)cc1 ZINC000767972610 1080242840 /nfs/dbraw/zinc/24/28/40/1080242840.db2.gz ZOTWMXQYRRUMBO-QGZVFWFLSA-N 1 1 414.554 2.169 20 10 HECDMO CCCN(Cc1ccccc1O)C(=O)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000785868450 1080289094 /nfs/dbraw/zinc/28/90/94/1080289094.db2.gz DHZMNFDIHLODIJ-IAGOWNOFSA-N 1 1 405.539 2.135 20 10 HECDMO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000785870476 1080290076 /nfs/dbraw/zinc/29/00/76/1080290076.db2.gz NEZBIQOBZRCRSZ-ROUUACIJSA-N 1 1 418.582 2.105 20 10 HECDMO COCCC[N@H+](Cc1cc(Br)cc(OC)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000768203478 1080394147 /nfs/dbraw/zinc/39/41/47/1080394147.db2.gz HRGALCQCUWTEIT-CQSZACIVSA-N 1 1 422.341 2.189 20 10 HECDMO COCCC[N@@H+](Cc1cc(Br)cc(OC)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000768203478 1080394158 /nfs/dbraw/zinc/39/41/58/1080394158.db2.gz HRGALCQCUWTEIT-CQSZACIVSA-N 1 1 422.341 2.189 20 10 HECDMO Cn1ncc2c1ncnc2N1CC[NH+](Cc2cc(Br)ccc2O)CC1 ZINC000768233883 1080434498 /nfs/dbraw/zinc/43/44/98/1080434498.db2.gz AKQATJLIALXGDY-UHFFFAOYSA-N 1 1 403.284 2.154 20 10 HECDMO Oc1cc2c(cc1C[N@H+]1CCC[C@H](CN3CCN(c4ccccn4)CC3)C1)[C@@H](O)CO2 ZINC000768443503 1080564115 /nfs/dbraw/zinc/56/41/15/1080564115.db2.gz FLKOGMYPDYSXPY-GCJKJVERSA-N 1 1 424.545 2.247 20 10 HECDMO COc1cc(O)c(C[N@@H+]2CCCN(Cc3nc([C@H](C)OC)no3)CC2)cc1OC ZINC000768463806 1080584523 /nfs/dbraw/zinc/58/45/23/1080584523.db2.gz MOCKTMZAVSDLJH-AWEZNQCLSA-N 1 1 406.483 2.208 20 10 HECDMO O=C(CNC(=O)Cc1ccccc1)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000768912612 1080851385 /nfs/dbraw/zinc/85/13/85/1080851385.db2.gz PTNLUCGIKDZHES-LJQANCHMSA-N 1 1 415.921 2.485 20 10 HECDMO CCOc1ccc(O)c(C[N@H+](C)CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000768989665 1080876976 /nfs/dbraw/zinc/87/69/76/1080876976.db2.gz ANXPINXJQLWKMZ-UHFFFAOYSA-N 1 1 407.511 2.302 20 10 HECDMO CCOc1ccc(O)c(C[N@@H+](C)CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000768989665 1080876978 /nfs/dbraw/zinc/87/69/78/1080876978.db2.gz ANXPINXJQLWKMZ-UHFFFAOYSA-N 1 1 407.511 2.302 20 10 HECDMO CN(C(=O)CN1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1)C1CCCCC1 ZINC000769319951 1081041016 /nfs/dbraw/zinc/04/10/16/1081041016.db2.gz GFISXOUJPGWHBL-UHFFFAOYSA-N 1 1 414.594 2.432 20 10 HECDMO C[C@H](NC(=O)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1)c1ccc(N(C)C)cc1 ZINC000787289292 1081094693 /nfs/dbraw/zinc/09/46/93/1081094693.db2.gz FAGIZWQWMVXUGF-SFHVURJKSA-N 1 1 424.545 2.078 20 10 HECDMO CCO[C@@H](C)c1noc(CN2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)n1 ZINC000769507035 1081100331 /nfs/dbraw/zinc/10/03/31/1081100331.db2.gz JTYYRLMVQFCCMR-SFHVURJKSA-N 1 1 415.538 2.322 20 10 HECDMO COc1cccc(CNC(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)c1O ZINC000745504046 1078517388 /nfs/dbraw/zinc/51/73/88/1078517388.db2.gz PHDSYSMGCLDTMC-UHFFFAOYSA-N 1 1 412.534 2.408 20 10 HECDMO O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000745649488 1078575059 /nfs/dbraw/zinc/57/50/59/1078575059.db2.gz UWQIFPQVQJNNKO-IBGZPJMESA-N 1 1 420.529 2.059 20 10 HECDMO C[C@@H]1C[C@H](N(C)C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CC[N@H+]1C ZINC000745692043 1078587862 /nfs/dbraw/zinc/58/78/62/1078587862.db2.gz QWVJHNLQTFLZRC-YVWKXTFCSA-N 1 1 401.555 2.012 20 10 HECDMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)N(Cc2ccco2)Cc2ccccc2O)C1 ZINC000745829492 1078665881 /nfs/dbraw/zinc/66/58/81/1078665881.db2.gz FQSRJBCRFQJWFD-GOSISDBHSA-N 1 1 414.506 2.284 20 10 HECDMO C[C@H](NC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(N2CCOCC2)cc1 ZINC000746168803 1078814225 /nfs/dbraw/zinc/81/42/25/1078814225.db2.gz QUBXIOGLAODHGQ-CYFREDJKSA-N 1 1 409.530 2.337 20 10 HECDMO CC[N@H+]1CC[C@@H](N(C)C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)[C@@H](C)C1 ZINC000746313634 1078853715 /nfs/dbraw/zinc/85/37/15/1078853715.db2.gz GFMUHEPLGNVLRL-SIKLNZKXSA-N 1 1 417.598 2.189 20 10 HECDMO CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000770436489 1078854297 /nfs/dbraw/zinc/85/42/97/1078854297.db2.gz VWQSOPYBRLIXCY-MLGOLLRUSA-N 1 1 400.317 2.405 20 10 HECDMO CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000770436489 1078854298 /nfs/dbraw/zinc/85/42/98/1078854298.db2.gz VWQSOPYBRLIXCY-MLGOLLRUSA-N 1 1 400.317 2.405 20 10 HECDMO CN(C)c1cc[nH+]c(NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)n1 ZINC000770446409 1078857510 /nfs/dbraw/zinc/85/75/10/1078857510.db2.gz ZBTLKNDERBTXSS-UHFFFAOYSA-N 1 1 408.485 2.410 20 10 HECDMO O=C(CNC(=O)c1ccc(O)cc1)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000771059441 1079119530 /nfs/dbraw/zinc/11/95/30/1079119530.db2.gz RIFVYLMJZMZXJR-KRWDZBQOSA-N 1 1 417.893 2.262 20 10 HECDMO O=C(N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)c1ccc(-n2ccnc2)nn1 ZINC000771058903 1079120172 /nfs/dbraw/zinc/12/01/72/1079120172.db2.gz OPRBFELIPHAVPO-INIZCTEOSA-N 1 1 412.881 2.416 20 10 HECDMO C[N@H+](CC(=O)NCc1ccc(OCC(N)=O)cc1)Cc1ccc(N2CCCCC2)cc1 ZINC000738297759 1075985598 /nfs/dbraw/zinc/98/55/98/1075985598.db2.gz BHAHKMYMUKJPKM-UHFFFAOYSA-N 1 1 424.545 2.289 20 10 HECDMO C[N@@H+](CC(=O)NCc1ccc(OCC(N)=O)cc1)Cc1ccc(N2CCCCC2)cc1 ZINC000738297759 1075985601 /nfs/dbraw/zinc/98/56/01/1075985601.db2.gz BHAHKMYMUKJPKM-UHFFFAOYSA-N 1 1 424.545 2.289 20 10 HECDMO CC[N@@H+]1C[C@@H](C)N(C(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)C[C@H]1C ZINC000766245150 1076121492 /nfs/dbraw/zinc/12/14/92/1076121492.db2.gz YVVQKBSDYATAGG-WOJBJXKFSA-N 1 1 417.598 2.331 20 10 HECDMO CC[N@H+]1C[C@@H](C)N(C(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)C[C@H]1C ZINC000766245150 1076121495 /nfs/dbraw/zinc/12/14/95/1076121495.db2.gz YVVQKBSDYATAGG-WOJBJXKFSA-N 1 1 417.598 2.331 20 10 HECDMO COc1ccc(N2CCN(C(=O)C[N@@H+]3CCC[C@H](c4nnc(C5CC5)[nH]4)C3)CC2)cc1 ZINC000766255937 1076226004 /nfs/dbraw/zinc/22/60/04/1076226004.db2.gz GLGIZANXNFULTD-SFHVURJKSA-N 1 1 424.549 2.219 20 10 HECDMO COc1ccc(N2CCN(C(=O)C[N@H+]3CCC[C@H](c4nnc(C5CC5)[nH]4)C3)CC2)cc1 ZINC000766255937 1076226014 /nfs/dbraw/zinc/22/60/14/1076226014.db2.gz GLGIZANXNFULTD-SFHVURJKSA-N 1 1 424.549 2.219 20 10 HECDMO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000740917914 1076305036 /nfs/dbraw/zinc/30/50/36/1076305036.db2.gz VDSOIPHSQYJLSZ-HXUWFJFHSA-N 1 1 420.561 2.468 20 10 HECDMO COc1ccc(N2CCN(C(=O)COC(=O)[C@H](C)[NH+]3[C@H](C)CC[C@H]3C)CC2)cc1 ZINC000741018384 1076338075 /nfs/dbraw/zinc/33/80/75/1076338075.db2.gz RIXRJUNDYGSFGL-KURKYZTESA-N 1 1 403.523 2.148 20 10 HECDMO O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741180994 1076397272 /nfs/dbraw/zinc/39/72/72/1076397272.db2.gz NFZJGVAOSNKECP-JOCHJYFZSA-N 1 1 413.493 2.180 20 10 HECDMO O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741180994 1076397276 /nfs/dbraw/zinc/39/72/76/1076397276.db2.gz NFZJGVAOSNKECP-JOCHJYFZSA-N 1 1 413.493 2.180 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)NC[C@H]3CC3(Cl)Cl)CC2)cc1 ZINC000742939456 1076896557 /nfs/dbraw/zinc/89/65/57/1076896557.db2.gz GBNUGEQMGVRLMS-CQSZACIVSA-N 1 1 401.338 2.310 20 10 HECDMO C=C1c2ccccc2C(=O)N1CC(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000742920600 1076897613 /nfs/dbraw/zinc/89/76/13/1076897613.db2.gz KUQASSSLIURRRZ-UHFFFAOYSA-N 1 1 420.513 2.060 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)c3ccccc3-n3cccn3)CC2)cc1 ZINC000742919370 1076897680 /nfs/dbraw/zinc/89/76/80/1076897680.db2.gz HARDFAUUQFEIRG-UHFFFAOYSA-N 1 1 405.502 2.433 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)c3cccc(Cn4ccnc4)c3)CC2)cc1 ZINC000742919948 1076897868 /nfs/dbraw/zinc/89/78/68/1076897868.db2.gz MIIQTBDBYOOQGZ-UHFFFAOYSA-N 1 1 419.529 2.492 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)[C@@H]3CC(c4ccccc4)=NO3)CC2)cc1 ZINC000742919848 1076897877 /nfs/dbraw/zinc/89/78/77/1076897877.db2.gz KVRPIOQRZAHSTG-QFIPXVFZSA-N 1 1 408.502 2.127 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)CN(C)c3ccc(Cl)cn3)CC2)cc1 ZINC000742920835 1076897891 /nfs/dbraw/zinc/89/78/91/1076897891.db2.gz UZMFSTVYRHUWDK-UHFFFAOYSA-N 1 1 417.941 2.118 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)Cn3c(C)nc4ccccc43)CC2)cc1 ZINC000742919874 1076897904 /nfs/dbraw/zinc/89/79/04/1076897904.db2.gz KZGBRPYWVBXYKE-UHFFFAOYSA-N 1 1 407.518 2.292 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)NCc3ccc(N(C)C)cc3)CC2)cc1 ZINC000742928295 1076898684 /nfs/dbraw/zinc/89/86/84/1076898684.db2.gz KXICUWUTXCBGIH-UHFFFAOYSA-N 1 1 411.550 2.383 20 10 HECDMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)N(C)Cc1ccccc1O ZINC000743314713 1077027122 /nfs/dbraw/zinc/02/71/22/1077027122.db2.gz OBGMTKADEBHPTN-UHFFFAOYSA-N 1 1 412.490 2.452 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)N[C@@H]3[C@H]4CCCO[C@@H]4C3(C)C)CC2)cc1 ZINC000743566888 1077074140 /nfs/dbraw/zinc/07/41/40/1077074140.db2.gz KSOGCZUJHNFOCL-NJYVYQBISA-N 1 1 416.566 2.320 20 10 HECDMO CC[N@@H+](Cc1cc(Br)ccc1O)[C@H](C)C(=O)N1CCN(C(C)=O)CC1 ZINC000743870930 1077155789 /nfs/dbraw/zinc/15/57/89/1077155789.db2.gz IAJCJIJLXQOWIY-CYBMUJFWSA-N 1 1 412.328 2.056 20 10 HECDMO CNC(=O)C1([NH2+]CC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)CCCC1 ZINC000744403559 1077381340 /nfs/dbraw/zinc/38/13/40/1077381340.db2.gz SNWWPWRVDSRJOE-UHFFFAOYSA-N 1 1 405.454 2.049 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)NC[C@]3(C)CCO[C@@H]3C3CC3)CC2)cc1 ZINC000767325766 1079820454 /nfs/dbraw/zinc/82/04/54/1079820454.db2.gz YGSRGWYNIRVHFL-GGAORHGYSA-N 1 1 416.566 2.322 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)C[C@H](O)c3cccc(F)c3)CC2)cc1 ZINC000772612910 1079978449 /nfs/dbraw/zinc/97/84/49/1079978449.db2.gz QESFUDRIIDMULE-NRFANRHFSA-N 1 1 401.482 2.196 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)COc3ccc(OC)c(C)c3)CC2)cc1 ZINC000768029464 1080294529 /nfs/dbraw/zinc/29/45/29/1080294529.db2.gz NXOXASFFBBJNGD-UHFFFAOYSA-N 1 1 413.518 2.329 20 10 HECDMO COCCC[N@H+](Cc1cc(Br)cc(OC)c1O)[C@H]1CCS(=O)(=O)C1 ZINC000768203477 1080394384 /nfs/dbraw/zinc/39/43/84/1080394384.db2.gz HRGALCQCUWTEIT-AWEZNQCLSA-N 1 1 422.341 2.189 20 10 HECDMO COCCC[N@@H+](Cc1cc(Br)cc(OC)c1O)[C@H]1CCS(=O)(=O)C1 ZINC000768203477 1080394393 /nfs/dbraw/zinc/39/43/93/1080394393.db2.gz HRGALCQCUWTEIT-AWEZNQCLSA-N 1 1 422.341 2.189 20 10 HECDMO O=C(CN1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1)Nc1ccc(F)cc1 ZINC000768196419 1080412291 /nfs/dbraw/zinc/41/22/91/1080412291.db2.gz CWCHJRUDYHVODO-UHFFFAOYSA-N 1 1 412.509 2.419 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)N[C@@H]3CCOC4(CCC4)C3)CC2)cc1 ZINC000768522355 1080608301 /nfs/dbraw/zinc/60/83/01/1080608301.db2.gz MHKNIEGKPYKJCG-GOSISDBHSA-N 1 1 402.539 2.218 20 10 HECDMO CCC(CC)[C@@H](CNC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)[NH+]1CCOCC1 ZINC000786601184 1080702252 /nfs/dbraw/zinc/70/22/52/1080702252.db2.gz YPHTZLZZNKZGSV-LAUBAEHRSA-N 1 1 418.582 2.183 20 10 HECDMO C[C@@H]1CCC[C@@H](NC(=O)CN2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)C1 ZINC000769320446 1081041941 /nfs/dbraw/zinc/04/19/41/1081041941.db2.gz PKWSKUXKDAJKLT-IFMALSPDSA-N 1 1 414.594 2.336 20 10 HECDMO C[C@H]1CCC[C@@H](NC(=O)CN2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)C1 ZINC000769320448 1081041962 /nfs/dbraw/zinc/04/19/62/1081041962.db2.gz PKWSKUXKDAJKLT-RBBKRZOGSA-N 1 1 414.594 2.336 20 10 HECDMO CCS(=O)(=O)N(C)C1CC[NH+](Cc2cc(Br)cc(OC)c2O)CC1 ZINC000769389465 1081060941 /nfs/dbraw/zinc/06/09/41/1081060941.db2.gz OSCRRHDMYJJSFX-UHFFFAOYSA-N 1 1 421.357 2.409 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)NCCSCC(F)(F)F)CC2)cc1 ZINC000769705229 1078528390 /nfs/dbraw/zinc/52/83/90/1078528390.db2.gz HTAFIEQINZSXPS-UHFFFAOYSA-N 1 1 420.501 2.412 20 10 HECDMO COc1cccc(CNC(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)c1O ZINC000745519349 1078537997 /nfs/dbraw/zinc/53/79/97/1078537997.db2.gz RXSIJGATBQBWGE-UHFFFAOYSA-N 1 1 402.470 2.161 20 10 HECDMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000745691356 1078586032 /nfs/dbraw/zinc/58/60/32/1078586032.db2.gz JJBUYLCBLLMLEP-PMACEKPBSA-N 1 1 415.582 2.404 20 10 HECDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000769957264 1078651998 /nfs/dbraw/zinc/65/19/98/1078651998.db2.gz KQUOZXBBOKUYKR-BEFAXECRSA-N 1 1 417.531 2.404 20 10 HECDMO CC[NH+]1CCN(C[C@H](C)CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)CC1 ZINC000745863112 1078678264 /nfs/dbraw/zinc/67/82/64/1078678264.db2.gz RAIMKVRNNJGDRU-TZIWHRDSSA-N 1 1 418.582 2.356 20 10 HECDMO CCN1CC[NH+](CCC(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)CC1 ZINC000746018834 1078735416 /nfs/dbraw/zinc/73/54/16/1078735416.db2.gz NUSQDGPDELDANO-QFIPXVFZSA-N 1 1 402.583 2.288 20 10 HECDMO CCC[N@@H+](C)CC(=O)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S ZINC000746172877 1078810022 /nfs/dbraw/zinc/81/00/22/1078810022.db2.gz NWNRUWFIBUBHAO-MHWRWJLKSA-N 1 1 421.544 2.075 20 10 HECDMO COc1ccc(N2CCN(C(=O)C[N@@H+]3CC[C@]4(C3)OCc3ccccc34)CC2)cc1 ZINC000770677034 1078929903 /nfs/dbraw/zinc/92/99/03/1078929903.db2.gz UFAXERCJOJVRFV-XMMPIXPASA-N 1 1 407.514 2.475 20 10 HECDMO COc1ccc(N2CCN(C(=O)C[N@H+]3CC[C@]4(C3)OCc3ccccc34)CC2)cc1 ZINC000770677034 1078929915 /nfs/dbraw/zinc/92/99/15/1078929915.db2.gz UFAXERCJOJVRFV-XMMPIXPASA-N 1 1 407.514 2.475 20 10 HECDMO COc1ccc(N2CCN(C(=O)Cc3noc(C[NH+]4[C@H](C)CC[C@H]4C)n3)CC2)cc1 ZINC000771055611 1079116577 /nfs/dbraw/zinc/11/65/77/1079116577.db2.gz HBGOQWPEJHXQES-IAGOWNOFSA-N 1 1 413.522 2.342 20 10 HECDMO O=C(N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)c1ccc2c(c1)C(=O)NC2=O ZINC000771059439 1079119719 /nfs/dbraw/zinc/11/97/19/1079119719.db2.gz RHXZBEVWKJRGHP-HNNXBMFYSA-N 1 1 413.861 2.324 20 10 HECDMO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)C1C[C@@H]2COC[C@H](C1)C2=O ZINC000771067211 1079124310 /nfs/dbraw/zinc/12/43/10/1079124310.db2.gz SPUNYQAYAGFEAG-NZZOQPFGSA-N 1 1 406.910 2.368 20 10 HECDMO O=C(N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)C1C[C@@H]2COC[C@H](C1)C2=O ZINC000771067211 1079124318 /nfs/dbraw/zinc/12/43/18/1079124318.db2.gz SPUNYQAYAGFEAG-NZZOQPFGSA-N 1 1 406.910 2.368 20 10 HECDMO C[N@H+]1CCC[C@@H]2CN(C(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)CC[C@H]21 ZINC000766878939 1079473865 /nfs/dbraw/zinc/47/38/65/1079473865.db2.gz KRHXVYCQKGQYMJ-YLJYHZDGSA-N 1 1 404.530 2.413 20 10 HECDMO C[C@H](CNC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)C[NH+]1CCOCC1 ZINC000738978686 1076028647 /nfs/dbraw/zinc/02/86/47/1076028647.db2.gz WMQVPVSHALNABM-KZNAEPCWSA-N 1 1 422.545 2.207 20 10 HECDMO CCN1CCN(c2ccc(CNC(=O)N3CC[N@H+](C)C[C@H]3C(C)C)cc2F)CC1 ZINC000739006797 1076030369 /nfs/dbraw/zinc/03/03/69/1076030369.db2.gz ZZCQKSKKVVIAIM-NRFANRHFSA-N 1 1 405.562 2.449 20 10 HECDMO CCN1CCN(c2ccc(CNC(=O)N3CC[N@@H+](C)C[C@H]3C(C)C)cc2F)CC1 ZINC000739006797 1076030375 /nfs/dbraw/zinc/03/03/75/1076030375.db2.gz ZZCQKSKKVVIAIM-NRFANRHFSA-N 1 1 405.562 2.449 20 10 HECDMO CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000739874072 1076084393 /nfs/dbraw/zinc/08/43/93/1076084393.db2.gz AMSPYYGGAZBRQN-IBGZPJMESA-N 1 1 401.551 2.345 20 10 HECDMO CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000739874072 1076084403 /nfs/dbraw/zinc/08/44/03/1076084403.db2.gz AMSPYYGGAZBRQN-IBGZPJMESA-N 1 1 401.551 2.345 20 10 HECDMO C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000741734405 1076613758 /nfs/dbraw/zinc/61/37/58/1076613758.db2.gz FCYHROJHUJBJSX-KRWDZBQOSA-N 1 1 408.502 2.329 20 10 HECDMO C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000741734405 1076613763 /nfs/dbraw/zinc/61/37/63/1076613763.db2.gz FCYHROJHUJBJSX-KRWDZBQOSA-N 1 1 408.502 2.329 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)NCc3cccc4c3OCO4)CC2)cc1 ZINC000742939264 1076896534 /nfs/dbraw/zinc/89/65/34/1076896534.db2.gz CGCPLZICPXPKLW-UHFFFAOYSA-N 1 1 412.490 2.045 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)C(C)(C)NC(=O)OC(C)(C)C)CC2)cc1 ZINC000742916139 1076897189 /nfs/dbraw/zinc/89/71/89/1076897189.db2.gz CXESESWJQXMKSM-UHFFFAOYSA-N 1 1 420.554 2.237 20 10 HECDMO COC(=O)c1cccc(NC(=O)NCC[NH+]2CCN(c3ccc(OC)cc3)CC2)c1 ZINC000742928496 1076898642 /nfs/dbraw/zinc/89/86/42/1076898642.db2.gz UIARFWSNMZURMZ-UHFFFAOYSA-N 1 1 412.490 2.426 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)NCCOC3CCCCC3)CC2)cc1 ZINC000742928663 1076898666 /nfs/dbraw/zinc/89/86/66/1076898666.db2.gz ZGQUTCBFSFKJLB-UHFFFAOYSA-N 1 1 404.555 2.466 20 10 HECDMO COCc1ccccc1CNC(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000742948504 1076899491 /nfs/dbraw/zinc/89/94/91/1076899491.db2.gz VFIBMTJWIUZHNR-UHFFFAOYSA-N 1 1 412.534 2.463 20 10 HECDMO COCCN(Cc1ccco1)C(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000743362393 1077032559 /nfs/dbraw/zinc/03/25/59/1077032559.db2.gz BMJTVLAMLRYLNY-UHFFFAOYSA-N 1 1 416.522 2.268 20 10 HECDMO COc1ccc(N2CCN(CCNC(=O)NC[C@@H](C)[N@H+]3CCCC[C@H]3C)CC2)cc1 ZINC000743362689 1077032641 /nfs/dbraw/zinc/03/26/41/1077032641.db2.gz HUIHYIXHYGLJRZ-WOJBJXKFSA-N 1 1 417.598 2.379 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)NCC3(SC)CCOCC3)CC2)cc1 ZINC000743566620 1077074207 /nfs/dbraw/zinc/07/42/07/1077074207.db2.gz INLXYILWWZEHLO-UHFFFAOYSA-N 1 1 422.595 2.029 20 10 HECDMO CN(CC[C@H]1CCCC[N@H+]1C)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000743855247 1077143013 /nfs/dbraw/zinc/14/30/13/1077143013.db2.gz IEVXFIOETZMZJS-LJQANCHMSA-N 1 1 406.546 2.085 20 10 HECDMO CC[N@@H+](CC(=O)N1CCN(C(=O)C2CC2)CC1)Cc1cc(Br)ccc1O ZINC000743871177 1077156037 /nfs/dbraw/zinc/15/60/37/1077156037.db2.gz UYFGXQMXNUNDRA-UHFFFAOYSA-N 1 1 424.339 2.057 20 10 HECDMO COc1ccc(N2CCN(C(=O)C[N@@H+]3CCC[C@H](CC(=O)OC(C)C)C3)CC2)cc1 ZINC000766904982 1079516254 /nfs/dbraw/zinc/51/62/54/1079516254.db2.gz JCIAPQQOEOMDHV-LJQANCHMSA-N 1 1 417.550 2.398 20 10 HECDMO COc1ccc(N2CCN(C(=O)C[N@H+]3CCC[C@H](CC(=O)OC(C)C)C3)CC2)cc1 ZINC000766904982 1079516264 /nfs/dbraw/zinc/51/62/64/1079516264.db2.gz JCIAPQQOEOMDHV-LJQANCHMSA-N 1 1 417.550 2.398 20 10 HECDMO COC(=O)c1ccc(-n2c(C)cc(C(=O)C[N@H+](C[C@H](C)O)[C@H](C)CO)c2C)cc1 ZINC000785537508 1080047121 /nfs/dbraw/zinc/04/71/21/1080047121.db2.gz QHZCUVMHLYHKKW-CVEARBPZSA-N 1 1 402.491 2.127 20 10 HECDMO COC(=O)c1ccc(-n2c(C)cc(C(=O)C[N@@H+](C[C@H](C)O)[C@H](C)CO)c2C)cc1 ZINC000785537508 1080047131 /nfs/dbraw/zinc/04/71/31/1080047131.db2.gz QHZCUVMHLYHKKW-CVEARBPZSA-N 1 1 402.491 2.127 20 10 HECDMO CC(C)N1CCc2c(c3ccccc3n2CC(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000767777403 1080083089 /nfs/dbraw/zinc/08/30/89/1080083089.db2.gz TVRJMEOHGSEENL-MOPGFXCFSA-N 1 1 410.562 2.387 20 10 HECDMO CC(C)N1CCc2c(c3ccccc3n2CC(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000767777403 1080083102 /nfs/dbraw/zinc/08/31/02/1080083102.db2.gz TVRJMEOHGSEENL-MOPGFXCFSA-N 1 1 410.562 2.387 20 10 HECDMO COCC[C@H]1CCCC[N@@H+](CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000767940149 1080234561 /nfs/dbraw/zinc/23/45/61/1080234561.db2.gz GRVBISGZFOJBOT-GOSISDBHSA-N 1 1 407.530 2.417 20 10 HECDMO CCCN(Cc1ccccc1O)C(=O)C(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000785868453 1080289170 /nfs/dbraw/zinc/28/91/70/1080289170.db2.gz DHZMNFDIHLODIJ-IRXDYDNUSA-N 1 1 405.539 2.135 20 10 HECDMO CCc1ccccc1NC(=O)CN1CC[NH+](Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000768440718 1080561790 /nfs/dbraw/zinc/56/17/90/1080561790.db2.gz CILYZXXWTLCBEX-NRFANRHFSA-N 1 1 411.502 2.137 20 10 HECDMO COc1cc(O)c(C[NH+]2CCN(CC(=O)N3C[C@@H](C)C[C@H](C)C3)CC2)cc1OC ZINC000768441908 1080562135 /nfs/dbraw/zinc/56/21/35/1080562135.db2.gz LMCFWTBMQLHFRN-IRXDYDNUSA-N 1 1 405.539 2.032 20 10 HECDMO C[C@H](Sc1nncn1C)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000768913280 1080853138 /nfs/dbraw/zinc/85/31/38/1080853138.db2.gz XSKFYNJXRJNGBN-SWLSCSKDSA-N 1 1 409.943 2.436 20 10 HECDMO C[C@H](Sc1nncn1C)C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000768913280 1080853142 /nfs/dbraw/zinc/85/31/42/1080853142.db2.gz XSKFYNJXRJNGBN-SWLSCSKDSA-N 1 1 409.943 2.436 20 10 HECDMO O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000787140114 1081024489 /nfs/dbraw/zinc/02/44/89/1081024489.db2.gz LRZVJRZFBDNBQQ-NRFANRHFSA-N 1 1 424.524 2.185 20 10 HECDMO COc1cc(OC)cc(N2CC[C@H]([N@H+](C)Cc3cc4c(cc3O)OCO4)C2=O)c1 ZINC000769534660 1081113267 /nfs/dbraw/zinc/11/32/67/1081113267.db2.gz YBTUNZMSFCRPIF-KRWDZBQOSA-N 1 1 400.431 2.375 20 10 HECDMO COc1cc(OC)cc(N2CC[C@H]([N@@H+](C)Cc3cc4c(cc3O)OCO4)C2=O)c1 ZINC000769534660 1081113274 /nfs/dbraw/zinc/11/32/74/1081113274.db2.gz YBTUNZMSFCRPIF-KRWDZBQOSA-N 1 1 400.431 2.375 20 10 HECDMO COCCCNC(=O)[C@H](C)OC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000769662408 1078500172 /nfs/dbraw/zinc/50/01/72/1078500172.db2.gz BXVZNLMQLVDGRV-KRWDZBQOSA-N 1 1 415.534 2.492 20 10 HECDMO Cc1cc(C(=O)C[N@@H+]2CCC23CCOCC3)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000769894730 1078617334 /nfs/dbraw/zinc/61/73/34/1078617334.db2.gz YMLFKOHIQOCWKE-UHFFFAOYSA-N 1 1 417.531 2.179 20 10 HECDMO Cc1cc(C(=O)C[N@H+]2CCC23CCOCC3)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000769894730 1078617341 /nfs/dbraw/zinc/61/73/41/1078617341.db2.gz YMLFKOHIQOCWKE-UHFFFAOYSA-N 1 1 417.531 2.179 20 10 HECDMO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000770157032 1078758086 /nfs/dbraw/zinc/75/80/86/1078758086.db2.gz MGWFJSWTOGJLNV-JKSUJKDBSA-N 1 1 417.531 2.499 20 10 HECDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000770157032 1078758091 /nfs/dbraw/zinc/75/80/91/1078758091.db2.gz MGWFJSWTOGJLNV-JKSUJKDBSA-N 1 1 417.531 2.499 20 10 HECDMO O=C(CN1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1)Nc1ccccc1F ZINC000770380144 1078834191 /nfs/dbraw/zinc/83/41/91/1078834191.db2.gz LXLUIRAGMJFTAM-UHFFFAOYSA-N 1 1 412.509 2.419 20 10 HECDMO CC[N@H+]1CC[C@H](N(C)C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)[C@H](C)C1 ZINC000746313632 1078853786 /nfs/dbraw/zinc/85/37/86/1078853786.db2.gz GFMUHEPLGNVLRL-KNQAVFIVSA-N 1 1 417.598 2.189 20 10 HECDMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)C1 ZINC000746315753 1078855640 /nfs/dbraw/zinc/85/56/40/1078855640.db2.gz DAPDVNQUZDDOJR-RTBURBONSA-N 1 1 420.554 2.155 20 10 HECDMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)C1 ZINC000746315753 1078855641 /nfs/dbraw/zinc/85/56/41/1078855641.db2.gz DAPDVNQUZDDOJR-RTBURBONSA-N 1 1 420.554 2.155 20 10 HECDMO O=C(CCCN1C(=O)CCC1=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000771055591 1079116507 /nfs/dbraw/zinc/11/65/07/1079116507.db2.gz ZPOXINQRYHXRHF-INIZCTEOSA-N 1 1 407.898 2.055 20 10 HECDMO COc1ccc(N2CCC(NC(=O)C(=O)N(C)CC[C@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000804320234 1079266321 /nfs/dbraw/zinc/26/63/21/1079266321.db2.gz YOAKZTXHHDBAQF-LJQANCHMSA-N 1 1 416.566 2.113 20 10 HECDMO C[C@@H]1CN(c2ccc(CNC(=O)C[N@H+](C)CCc3cnccn3)cc2F)C[C@H](C)O1 ZINC000771464771 1079361748 /nfs/dbraw/zinc/36/17/48/1079361748.db2.gz QBSJUZLPINLVFR-CALCHBBNSA-N 1 1 415.513 2.020 20 10 HECDMO C[C@@H]1CN(c2ccc(CNC(=O)C[N@@H+](C)CCc3cnccn3)cc2F)C[C@H](C)O1 ZINC000771464771 1079361754 /nfs/dbraw/zinc/36/17/54/1079361754.db2.gz QBSJUZLPINLVFR-CALCHBBNSA-N 1 1 415.513 2.020 20 10 HECDMO COc1ccc(N2CC[NH+](CCCNC(=O)N3CCN(C)C[C@H]3C(C)C)CC2)cc1 ZINC000738970519 1076028189 /nfs/dbraw/zinc/02/81/89/1076028189.db2.gz QVMGCLHGIYPBRC-QFIPXVFZSA-N 1 1 417.598 2.189 20 10 HECDMO Cc1cc(C(=O)CN2CC[NH+](C[C@@H](C)O)CC2)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000739391977 1076057217 /nfs/dbraw/zinc/05/72/17/1076057217.db2.gz OLNKCEMRJRBEKE-QGZVFWFLSA-N 1 1 413.518 2.046 20 10 HECDMO CC[N@H+]1C[C@H](C)N(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C[C@H]1C ZINC000766250373 1076151270 /nfs/dbraw/zinc/15/12/70/1076151270.db2.gz LCMOJYGIYWONEM-AOIWGVFYSA-N 1 1 401.555 2.012 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)[C@@H](C)Cc3c(C)nn(C)c3C)CC2)cc1 ZINC000742057000 1076720951 /nfs/dbraw/zinc/72/09/51/1076720951.db2.gz GMBHHYBIGDDWCB-KRWDZBQOSA-N 1 1 413.566 2.163 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)NCCc3cccc(OC)c3)CC2)cc1 ZINC000742939967 1076896691 /nfs/dbraw/zinc/89/66/91/1076896691.db2.gz NNZUSUGFSXMKPL-UHFFFAOYSA-N 1 1 412.534 2.368 20 10 HECDMO CCCC(=O)N1CCCC[C@H]1C(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000742948485 1076899441 /nfs/dbraw/zinc/89/94/41/1076899441.db2.gz ULJLVYIWZLQJNO-NRFANRHFSA-N 1 1 416.566 2.115 20 10 HECDMO COc1ccc(N2CCN(CCNC(=O)NC[C@@H](C)[N@H+]3CCC[C@@H](C)C3)CC2)cc1 ZINC000743362546 1077032755 /nfs/dbraw/zinc/03/27/55/1077032755.db2.gz FOMRLECFUSJLGN-WOJBJXKFSA-N 1 1 417.598 2.237 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)N(C[C@H]3CCOC3)C3CC3)CC2)cc1 ZINC000743363979 1077033011 /nfs/dbraw/zinc/03/30/11/1077033011.db2.gz ZHOWNUXZWSXYBR-GOSISDBHSA-N 1 1 402.539 2.028 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)N3CCC(OCC4CC4)CC3)CC2)cc1 ZINC000743568464 1077074249 /nfs/dbraw/zinc/07/42/49/1077074249.db2.gz XEXJFBJKXYYSET-UHFFFAOYSA-N 1 1 416.566 2.418 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)N[C@@H](C)CCc3cccn3C)CC2)cc1 ZINC000743568703 1077074429 /nfs/dbraw/zinc/07/44/29/1077074429.db2.gz YCDSZOGKYCCKEA-IBGZPJMESA-N 1 1 413.566 2.476 20 10 HECDMO COCC[N@@H+](C)CCNC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000743594332 1077077337 /nfs/dbraw/zinc/07/73/37/1077077337.db2.gz UBWJVNJSCFNYHK-OAHLLOKOSA-N 1 1 400.470 2.134 20 10 HECDMO CC[N@@H+](Cc1cc(Br)ccc1O)[C@@H](C)C(=O)N(C)CC(=O)NC1CC1 ZINC000743874686 1077158275 /nfs/dbraw/zinc/15/82/75/1077158275.db2.gz YZTRZQFATDFWCM-LBPRGKRZSA-N 1 1 412.328 2.102 20 10 HECDMO O=C(NCCC[NH+]1CCOCC1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000745251306 1077789389 /nfs/dbraw/zinc/78/93/89/1077789389.db2.gz SNMNLMHNRVDSQD-MRXNPFEDSA-N 1 1 412.481 2.278 20 10 HECDMO CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000771842382 1079532859 /nfs/dbraw/zinc/53/28/59/1079532859.db2.gz NCIMZVJQNBUFOJ-QHCPKHFHSA-N 1 1 405.546 2.367 20 10 HECDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCC[C@@H](C(C)(C)C(=O)OC)C1)cc2=O ZINC000772369377 1079850816 /nfs/dbraw/zinc/85/08/16/1079850816.db2.gz FTWROJMIZGHAJG-CYBMUJFWSA-N 1 1 404.467 2.023 20 10 HECDMO Cc1cc(C(=O)C[N@@H+](C)CC2CCOCC2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000767702427 1080030702 /nfs/dbraw/zinc/03/07/02/1080030702.db2.gz OVYIJDWLXYJRMG-UHFFFAOYSA-N 1 1 419.547 2.283 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)NC[C@H](O)c3cccc(C)c3)CC2)cc1 ZINC000767939710 1080232757 /nfs/dbraw/zinc/23/27/57/1080232757.db2.gz NZFATIKUDZZTPU-QFIPXVFZSA-N 1 1 412.534 2.158 20 10 HECDMO CCOC(=O)[C@H]1CN(C(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)CCO1 ZINC000767949253 1080238682 /nfs/dbraw/zinc/23/86/82/1080238682.db2.gz PRSPYSKLNVYNGC-OAQYLSRUSA-N 1 1 413.518 2.198 20 10 HECDMO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000785870102 1080289914 /nfs/dbraw/zinc/28/99/14/1080289914.db2.gz NEZBIQOBZRCRSZ-QZTJIDSGSA-N 1 1 418.582 2.105 20 10 HECDMO C[N@@H+](CCCOc1ccc(S(C)(=O)=O)cc1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768443578 1080563550 /nfs/dbraw/zinc/56/35/50/1080563550.db2.gz SUVOGGDQWSEKMC-IBGZPJMESA-N 1 1 407.488 2.122 20 10 HECDMO COc1cc(O)c(C[N@@H+]2CCC[C@H](NS(=O)(=O)c3cccc(F)c3)C2)cc1OC ZINC000768447619 1080566299 /nfs/dbraw/zinc/56/62/99/1080566299.db2.gz AJCPQAZPBJXVAY-INIZCTEOSA-N 1 1 424.494 2.491 20 10 HECDMO COc1cc(O)c(C[N@H+]2CCC[C@H](NS(=O)(=O)c3cccc(F)c3)C2)cc1OC ZINC000768447619 1080566310 /nfs/dbraw/zinc/56/63/10/1080566310.db2.gz AJCPQAZPBJXVAY-INIZCTEOSA-N 1 1 424.494 2.491 20 10 HECDMO COc1cc(O)c(C[N@@H+]2CCCN(Cc3nc([C@@H](C)OC)no3)CC2)cc1OC ZINC000768463809 1080584616 /nfs/dbraw/zinc/58/46/16/1080584616.db2.gz MOCKTMZAVSDLJH-CQSZACIVSA-N 1 1 406.483 2.208 20 10 HECDMO NC(=O)COc1ccccc1C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000768913187 1080853156 /nfs/dbraw/zinc/85/31/56/1080853156.db2.gz WBHVPMRUPDXAGO-MRXNPFEDSA-N 1 1 417.893 2.304 20 10 HECDMO O=S(=O)(c1ccccc1)N1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000769061922 1080918584 /nfs/dbraw/zinc/91/85/84/1080918584.db2.gz ZHERVSQDXPYEGK-UHFFFAOYSA-N 1 1 415.559 2.420 20 10 HECDMO O=S(=O)(c1ccccc1)N1CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000769061922 1080918602 /nfs/dbraw/zinc/91/86/02/1080918602.db2.gz ZHERVSQDXPYEGK-UHFFFAOYSA-N 1 1 415.559 2.420 20 10 HECDMO CC[N@@H+](CC(=O)NC1CCN(C(C)=O)CC1)Cc1cc(Br)ccc1O ZINC000744425159 1081065475 /nfs/dbraw/zinc/06/54/75/1081065475.db2.gz CPZMUQLMGJPABX-UHFFFAOYSA-N 1 1 412.328 2.104 20 10 HECDMO CCCNC(=O)NC(=O)COC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000769663657 1078503755 /nfs/dbraw/zinc/50/37/55/1078503755.db2.gz OXHLWJHTJQFEJA-UHFFFAOYSA-N 1 1 414.506 2.187 20 10 HECDMO C[C@H](NC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1)c1ccc(N2CCOCC2)cc1 ZINC000745781160 1078640178 /nfs/dbraw/zinc/64/01/78/1078640178.db2.gz XRLRTFFJTSTWEX-UGKGYDQZSA-N 1 1 416.566 2.481 20 10 HECDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000769957273 1078652075 /nfs/dbraw/zinc/65/20/75/1078652075.db2.gz KQUOZXBBOKUYKR-HNAYVOBHSA-N 1 1 417.531 2.404 20 10 HECDMO CN(C(=O)c1cc(NS(C)(=O)=O)ccc1O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000770009542 1078685403 /nfs/dbraw/zinc/68/54/03/1078685403.db2.gz JQINQXZGGFRFAH-QGZVFWFLSA-N 1 1 403.504 2.110 20 10 HECDMO C[C@@H]1C[N@H+](Cc2cc(Br)ccc2O)CCN1c1nccn2cnnc12 ZINC000770280806 1078805808 /nfs/dbraw/zinc/80/58/08/1078805808.db2.gz MMSQHHSUTCDXTI-GFCCVEGCSA-N 1 1 403.284 2.303 20 10 HECDMO C[C@@H]1C[N@@H+](Cc2cc(Br)ccc2O)CCN1c1nccn2cnnc12 ZINC000770280806 1078805811 /nfs/dbraw/zinc/80/58/11/1078805811.db2.gz MMSQHHSUTCDXTI-GFCCVEGCSA-N 1 1 403.284 2.303 20 10 HECDMO CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000770436491 1078854202 /nfs/dbraw/zinc/85/42/02/1078854202.db2.gz VWQSOPYBRLIXCY-WBMJQRKESA-N 1 1 400.317 2.405 20 10 HECDMO CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000770436491 1078854207 /nfs/dbraw/zinc/85/42/07/1078854207.db2.gz VWQSOPYBRLIXCY-WBMJQRKESA-N 1 1 400.317 2.405 20 10 HECDMO Cc1occc1C(=O)NCC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000771051910 1079114659 /nfs/dbraw/zinc/11/46/59/1079114659.db2.gz DAHJEBLSIKPBOC-MRXNPFEDSA-N 1 1 405.882 2.458 20 10 HECDMO O=C(N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000771054997 1079115986 /nfs/dbraw/zinc/11/59/86/1079115986.db2.gz AWLIEKTVJBGITP-ZDUSSCGKSA-N 1 1 406.826 2.449 20 10 HECDMO O=C(N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)c1ccc(-n2cncn2)nc1 ZINC000771055787 1079116601 /nfs/dbraw/zinc/11/66/01/1079116601.db2.gz FDZUMBOIEXYVRH-KRWDZBQOSA-N 1 1 412.881 2.416 20 10 HECDMO C[NH+]1CCN(CCC(C)(C)NC(=O)NCc2ccc(N3CCSCC3)cc2)CC1 ZINC000771290933 1079242928 /nfs/dbraw/zinc/24/29/28/1079242928.db2.gz JGKBPGFLCHYHTC-UHFFFAOYSA-N 1 1 419.639 2.455 20 10 HECDMO COCCN(CCC(=O)OC)C(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000766688592 1079280236 /nfs/dbraw/zinc/28/02/36/1079280236.db2.gz GTDMOBWJZCPMHV-UHFFFAOYSA-N 1 1 415.534 2.446 20 10 HECDMO C[N@H+]1CCC[C@@H]2CN(C(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)CC[C@@H]21 ZINC000766878938 1079473723 /nfs/dbraw/zinc/47/37/23/1079473723.db2.gz KRHXVYCQKGQYMJ-XLIONFOSSA-N 1 1 404.530 2.413 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)NC[C@](C)(O)c3cccs3)CC2)cc1 ZINC000740038220 1076098366 /nfs/dbraw/zinc/09/83/66/1076098366.db2.gz JAHOKEMUBYPJDX-NRFANRHFSA-N 1 1 418.563 2.086 20 10 HECDMO CCO[C@H]1C[C@@H]([N@@H+](C)CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1(C)C ZINC000740887209 1076286132 /nfs/dbraw/zinc/28/61/32/1076286132.db2.gz QUHDUZXCFPRESF-UXHICEINSA-N 1 1 407.530 2.414 20 10 HECDMO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000740917913 1076305079 /nfs/dbraw/zinc/30/50/79/1076305079.db2.gz VDSOIPHSQYJLSZ-FQEVSTJZSA-N 1 1 420.561 2.468 20 10 HECDMO COc1ccc(N2CCN(C(=O)COC(=O)[C@H](C(C)C)[NH+]3CCCC3)CC2)cc1 ZINC000741014139 1076329451 /nfs/dbraw/zinc/32/94/51/1076329451.db2.gz QSXFRIXHGLJWSP-NRFANRHFSA-N 1 1 403.523 2.007 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)NCCCNc3ccccn3)CC2)cc1 ZINC000742939423 1076896539 /nfs/dbraw/zinc/89/65/39/1076896539.db2.gz DQPLIWKXFKIGBA-UHFFFAOYSA-N 1 1 412.538 2.014 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)NCc3nccn3CC(C)C)CC2)cc1 ZINC000743565918 1077069799 /nfs/dbraw/zinc/06/97/99/1077069799.db2.gz BAXNLKVTSWWFJV-UHFFFAOYSA-N 1 1 414.554 2.169 20 10 HECDMO Cc1[nH+]ccn1CCCCNC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000743632065 1077083257 /nfs/dbraw/zinc/08/32/57/1077083257.db2.gz XQUZEFXYNCOAER-IBGZPJMESA-N 1 1 412.538 2.173 20 10 HECDMO CC[N@@H+](Cc1cc(Br)ccc1O)[C@H](C)C(=O)N1CCC(C(N)=O)CC1 ZINC000743873042 1077156857 /nfs/dbraw/zinc/15/68/57/1077156857.db2.gz HFGLCNJBCDZTOK-GFCCVEGCSA-N 1 1 412.328 2.089 20 10 HECDMO O=C(NCCC[NH+]1CCOCC1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000745251304 1077789289 /nfs/dbraw/zinc/78/92/89/1077789289.db2.gz SNMNLMHNRVDSQD-INIZCTEOSA-N 1 1 412.481 2.278 20 10 HECDMO Cc1nn(C)c(N2CCOCC2)c1C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000768161488 1080378707 /nfs/dbraw/zinc/37/87/07/1080378707.db2.gz FTJIWSUROGRKGH-LJQANCHMSA-N 1 1 400.523 2.452 20 10 HECDMO COc1cc(O)c([C@H]2NC(=[NH2+])Nc3nc4cc5c(cc4n32)OCCCO5)cc1OC ZINC000768265909 1080449888 /nfs/dbraw/zinc/44/98/88/1080449888.db2.gz HHXVBBBRWNFAOY-SFHVURJKSA-N 1 1 411.418 2.417 20 10 HECDMO COc1cc(Br)cc(C[N@@H+]2CCCC[C@@H]2CNS(C)(=O)=O)c1O ZINC000768342119 1080498275 /nfs/dbraw/zinc/49/82/75/1080498275.db2.gz PIOANIPPAHBGHI-CYBMUJFWSA-N 1 1 407.330 2.067 20 10 HECDMO COc1cc(Br)cc(C[N@H+]2CCCC[C@@H]2CNS(C)(=O)=O)c1O ZINC000768342119 1080498285 /nfs/dbraw/zinc/49/82/85/1080498285.db2.gz PIOANIPPAHBGHI-CYBMUJFWSA-N 1 1 407.330 2.067 20 10 HECDMO C[C@@H](C(=O)Nc1cccc(F)c1)N1CC[NH+](Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000768440185 1080560670 /nfs/dbraw/zinc/56/06/70/1080560670.db2.gz UCISVULOEJYISO-VBKZILBWSA-N 1 1 415.465 2.102 20 10 HECDMO O=C(CN1CC[NH+](Cc2cc3c(cc2O)OC[C@@H]3O)CC1)Nc1ccccc1Cl ZINC000768440813 1080561315 /nfs/dbraw/zinc/56/13/15/1080561315.db2.gz FAJCGPWOUJSTMT-IBGZPJMESA-N 1 1 417.893 2.228 20 10 HECDMO CCc1ccccc1NC(=O)CN1CC[NH+](Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000768440721 1080561705 /nfs/dbraw/zinc/56/17/05/1080561705.db2.gz CILYZXXWTLCBEX-OAQYLSRUSA-N 1 1 411.502 2.137 20 10 HECDMO C[N@@H+](CCCOc1ccc(S(C)(=O)=O)cc1)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768443579 1080563292 /nfs/dbraw/zinc/56/32/92/1080563292.db2.gz SUVOGGDQWSEKMC-LJQANCHMSA-N 1 1 407.488 2.122 20 10 HECDMO COc1cc(O)c(C[NH+]2CCN(CCNC(=O)c3ccccc3F)CC2)cc1OC ZINC000768450146 1080566858 /nfs/dbraw/zinc/56/68/58/1080566858.db2.gz IFTHWNPBMGBQAI-UHFFFAOYSA-N 1 1 417.481 2.096 20 10 HECDMO COc1ccc(N2CCN(C(=O)C[N@H+](C)CCN(C)C(=O)OC(C)(C)C)CC2)cc1 ZINC000768744008 1080767717 /nfs/dbraw/zinc/76/77/17/1080767717.db2.gz OEFYEXZOIAYUKA-UHFFFAOYSA-N 1 1 420.554 2.143 20 10 HECDMO COc1ccc(N2CCN(C(=O)C[N@@H+](C)CCN(C)C(=O)OC(C)(C)C)CC2)cc1 ZINC000768744008 1080767727 /nfs/dbraw/zinc/76/77/27/1080767727.db2.gz OEFYEXZOIAYUKA-UHFFFAOYSA-N 1 1 420.554 2.143 20 10 HECDMO COc1cc(C[N@@H+](C)Cc2ccccc2O)ccc1OCC(=O)N1CCOCC1 ZINC000768872981 1080826774 /nfs/dbraw/zinc/82/67/74/1080826774.db2.gz NUQSVQPXRHBJCJ-UHFFFAOYSA-N 1 1 400.475 2.270 20 10 HECDMO O=C(CSc1nnnn1C1CC1)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000768911597 1080850860 /nfs/dbraw/zinc/85/08/60/1080850860.db2.gz FVMJCAHVCYBTTB-CQSZACIVSA-N 1 1 422.942 2.240 20 10 HECDMO O=C(CSc1nnnn1C1CC1)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000768911597 1080850864 /nfs/dbraw/zinc/85/08/64/1080850864.db2.gz FVMJCAHVCYBTTB-CQSZACIVSA-N 1 1 422.942 2.240 20 10 HECDMO O=C(N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)c1ccccc1-n1cnnn1 ZINC000768913299 1080852473 /nfs/dbraw/zinc/85/24/73/1080852473.db2.gz YQWGNUFPZDEROO-MRXNPFEDSA-N 1 1 412.881 2.416 20 10 HECDMO NC(=O)COc1ccccc1C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000768913185 1080853058 /nfs/dbraw/zinc/85/30/58/1080853058.db2.gz WBHVPMRUPDXAGO-INIZCTEOSA-N 1 1 417.893 2.304 20 10 HECDMO CCC(=O)N1CSC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000768914616 1080853842 /nfs/dbraw/zinc/85/38/42/1080853842.db2.gz FSCDBQVRVDAGTL-CVEARBPZSA-N 1 1 411.955 2.438 20 10 HECDMO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)N1CCN(CC2CC2)CC1 ZINC000769044983 1080893542 /nfs/dbraw/zinc/89/35/42/1080893542.db2.gz XQMOGOFEKQHDEC-UHFFFAOYSA-N 1 1 411.594 2.456 20 10 HECDMO Cc1nnc(SCCC(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)[nH]1 ZINC000769165894 1080982037 /nfs/dbraw/zinc/98/20/37/1080982037.db2.gz WFEYTOBYYAOVIL-UHFFFAOYSA-N 1 1 414.579 2.444 20 10 HECDMO CC1CCC(NC(=O)CN2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)CC1 ZINC000769320496 1081041791 /nfs/dbraw/zinc/04/17/91/1081041791.db2.gz RBGYPTOCPJGXIF-UHFFFAOYSA-N 1 1 414.594 2.336 20 10 HECDMO C[C@H]1CN(c2ccc(CNC(=O)C[N@H+]3CCC34CCOCC4)cc2F)C[C@H](C)O1 ZINC000769893558 1078646587 /nfs/dbraw/zinc/64/65/87/1078646587.db2.gz PXISEAGLXDWJCO-IRXDYDNUSA-N 1 1 405.514 2.310 20 10 HECDMO CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H]1CC[N@@H+](CCOC)C1 ZINC000745832286 1078666928 /nfs/dbraw/zinc/66/69/28/1078666928.db2.gz DDDYHHOYJQVEPG-OAHLLOKOSA-N 1 1 400.317 2.407 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)c3ccccc3Cn3cccn3)CC2)cc1 ZINC000746173567 1078810344 /nfs/dbraw/zinc/81/03/44/1078810344.db2.gz FVFLJLQGXXAIQU-UHFFFAOYSA-N 1 1 419.529 2.492 20 10 HECDMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000770344444 1078837395 /nfs/dbraw/zinc/83/73/95/1078837395.db2.gz KSYBLDPJMAJACG-GOSISDBHSA-N 1 1 405.612 2.065 20 10 HECDMO O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000746280270 1078843535 /nfs/dbraw/zinc/84/35/35/1078843535.db2.gz OMNDAZKWUQUVGP-RUZDIDTESA-N 1 1 423.557 2.149 20 10 HECDMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)C1 ZINC000746315750 1078855213 /nfs/dbraw/zinc/85/52/13/1078855213.db2.gz DAPDVNQUZDDOJR-RBUKOAKNSA-N 1 1 420.554 2.155 20 10 HECDMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)C1 ZINC000746315750 1078855214 /nfs/dbraw/zinc/85/52/14/1078855214.db2.gz DAPDVNQUZDDOJR-RBUKOAKNSA-N 1 1 420.554 2.155 20 10 HECDMO CC(C)OCC[NH+]1CCN(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)CC1 ZINC000746414349 1078908028 /nfs/dbraw/zinc/90/80/28/1078908028.db2.gz NMURINXDVSQJEA-IBGZPJMESA-N 1 1 404.555 2.336 20 10 HECDMO O=C(N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)c1cnc2c(c1)NC(=O)CO2 ZINC000770790791 1079018368 /nfs/dbraw/zinc/01/83/68/1079018368.db2.gz GLISWPOMNBYOEJ-HNNXBMFYSA-N 1 1 416.865 2.166 20 10 HECDMO C[N@H+]1CCC[C@@H]2CN(C(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)CC[C@@H]21 ZINC000766880252 1079475004 /nfs/dbraw/zinc/47/50/04/1079475004.db2.gz KYPIOZASHYSTEN-SBHAEUEKSA-N 1 1 413.566 2.014 20 10 HECDMO C[N@H+](CCOc1cccc(S(C)(=O)=O)c1)Cc1ccc(N2CCOCC2)cc1 ZINC000738300831 1075986336 /nfs/dbraw/zinc/98/63/36/1075986336.db2.gz YVJAIZDNDMCPNS-UHFFFAOYSA-N 1 1 404.532 2.438 20 10 HECDMO C[N@@H+](CCOc1cccc(S(C)(=O)=O)c1)Cc1ccc(N2CCOCC2)cc1 ZINC000738300831 1075986340 /nfs/dbraw/zinc/98/63/40/1075986340.db2.gz YVJAIZDNDMCPNS-UHFFFAOYSA-N 1 1 404.532 2.438 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)CCCc3nc(C4CC4)no3)CC2)cc1 ZINC000739714021 1076069673 /nfs/dbraw/zinc/06/96/73/1076069673.db2.gz ZBTFXRWYZLMGQY-UHFFFAOYSA-N 1 1 413.522 2.217 20 10 HECDMO C[N@@H+](CCCO)C1CCN(C(=O)NCc2ccc(N3CCSCC3)cc2)CC1 ZINC000741078166 1076356157 /nfs/dbraw/zinc/35/61/57/1076356157.db2.gz DNUDDNOSNGDEGM-UHFFFAOYSA-N 1 1 406.596 2.228 20 10 HECDMO C[C@@H]1CN(c2ccc(CNC(=O)CN(C)C[C@@H]3CCC[N@@H+](C)C3)cc2F)C[C@@H](C)O1 ZINC000741249157 1076436333 /nfs/dbraw/zinc/43/63/33/1076436333.db2.gz CPQQKQPAPGORCA-QWFCFKBJSA-N 1 1 420.573 2.329 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)NC[C@@H](O)c3ccc(C)cc3)CC2)cc1 ZINC000742939971 1076896679 /nfs/dbraw/zinc/89/66/79/1076896679.db2.gz NQSZZMDQGPSHHF-JOCHJYFZSA-N 1 1 412.534 2.158 20 10 HECDMO CCOc1ccccc1OCC(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000742917503 1076897298 /nfs/dbraw/zinc/89/72/98/1076897298.db2.gz YQAJBVYLFLESHP-UHFFFAOYSA-N 1 1 413.518 2.411 20 10 HECDMO CCOc1ncccc1CNC(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000742948552 1076899610 /nfs/dbraw/zinc/89/96/10/1076899610.db2.gz YFSYLZYTIINVAR-UHFFFAOYSA-N 1 1 413.522 2.110 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)N[C@H](CO)C3CCCCC3)CC2)cc1 ZINC000743362376 1077032596 /nfs/dbraw/zinc/03/25/96/1077032596.db2.gz BBECDORFCKLYLK-OAQYLSRUSA-N 1 1 404.555 2.058 20 10 HECDMO O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)NCc1c(O)ccc2c1CCCC2 ZINC000743523074 1077063367 /nfs/dbraw/zinc/06/33/67/1077063367.db2.gz CYNQMHZMGJNNOU-UHFFFAOYSA-N 1 1 424.549 2.073 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)N[C@H](C)CCc3cccn3C)CC2)cc1 ZINC000743568704 1077074466 /nfs/dbraw/zinc/07/44/66/1077074466.db2.gz YCDSZOGKYCCKEA-LJQANCHMSA-N 1 1 413.566 2.476 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)c3cccc(-c4nc[nH]n4)c3)CC2)cc1 ZINC000767339310 1079811963 /nfs/dbraw/zinc/81/19/63/1079811963.db2.gz OFHGMNRXGVRPIA-UHFFFAOYSA-N 1 1 406.490 2.032 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)/C=C/c3ccc(OC)c(O)c3)CC2)cc1 ZINC000772510718 1079907771 /nfs/dbraw/zinc/90/77/71/1079907771.db2.gz MUFKGDPTARZAFP-ONNFQVAWSA-N 1 1 411.502 2.361 20 10 HECDMO C[N@@H+](CCCOc1cccc(S(C)(=O)=O)c1)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768443901 1080563237 /nfs/dbraw/zinc/56/32/37/1080563237.db2.gz IRQQSXPNOHPFJX-LJQANCHMSA-N 1 1 407.488 2.122 20 10 HECDMO OC[C@@H](c1ccc(Cl)cc1)N1CC[NH+](Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000768445019 1080563776 /nfs/dbraw/zinc/56/37/76/1080563776.db2.gz DZGMCDDPYFWJJB-ICSRJNTNSA-N 1 1 404.894 2.323 20 10 HECDMO COc1cc(O)c(C[NH+]2CCN(CC(=O)N[C@@H]3CCC[C@H](C)C3)CC2)cc1OC ZINC000768451070 1080567186 /nfs/dbraw/zinc/56/71/86/1080567186.db2.gz LSKLURBSGHVIIN-FUHWJXTLSA-N 1 1 405.539 2.222 20 10 HECDMO COc1cc(Br)cc(C[N@@H+](CCO)CCNC(=O)OC(C)(C)C)c1O ZINC000768535039 1080615173 /nfs/dbraw/zinc/61/51/73/1080615173.db2.gz JLTCXPJHYMQOSL-UHFFFAOYSA-N 1 1 419.316 2.482 20 10 HECDMO CCC(CC)[C@@H](CNC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1)[NH+]1CCOCC1 ZINC000786601182 1080702314 /nfs/dbraw/zinc/70/23/14/1080702314.db2.gz YPHTZLZZNKZGSV-DYESRHJHSA-N 1 1 418.582 2.183 20 10 HECDMO O=C(N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)c1cccc(-n2cnnn2)c1 ZINC000768912602 1080851408 /nfs/dbraw/zinc/85/14/08/1080851408.db2.gz PGZBDCGQNROOKF-KRWDZBQOSA-N 1 1 412.881 2.416 20 10 HECDMO Cc1ccc(O)c(C[N@H+]2CCCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c1 ZINC000769209999 1081003609 /nfs/dbraw/zinc/00/36/09/1081003609.db2.gz KURYXYXGLRNMFL-UHFFFAOYSA-N 1 1 418.515 2.368 20 10 HECDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)OCC(=O)NC[C@H]2CCCO2)C1 ZINC000769665607 1078506251 /nfs/dbraw/zinc/50/62/51/1078506251.db2.gz VPEVUUSZVWAMLN-QGZVFWFLSA-N 1 1 413.518 2.246 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)N[C@@H]3C[C@@](C)(OC)C3(C)C)CC2)cc1 ZINC000745784565 1078641943 /nfs/dbraw/zinc/64/19/43/1078641943.db2.gz XXCPYXOBISZWEV-DENIHFKCSA-N 1 1 404.555 2.320 20 10 HECDMO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)N(Cc2ccco2)Cc2ccccc2O)C1 ZINC000745829493 1078666012 /nfs/dbraw/zinc/66/60/12/1078666012.db2.gz FQSRJBCRFQJWFD-SFHVURJKSA-N 1 1 414.506 2.284 20 10 HECDMO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000745830866 1078666427 /nfs/dbraw/zinc/66/64/27/1078666427.db2.gz CIWWVIYLAACVET-IBGZPJMESA-N 1 1 403.571 2.260 20 10 HECDMO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000770157027 1078758214 /nfs/dbraw/zinc/75/82/14/1078758214.db2.gz MGWFJSWTOGJLNV-HOTGVXAUSA-N 1 1 417.531 2.499 20 10 HECDMO C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000770157027 1078758220 /nfs/dbraw/zinc/75/82/20/1078758220.db2.gz MGWFJSWTOGJLNV-HOTGVXAUSA-N 1 1 417.531 2.499 20 10 HECDMO C[C@H]1C[N@H+](Cc2cc(Br)ccc2O)CCN1c1nccn2cnnc12 ZINC000770280808 1078805856 /nfs/dbraw/zinc/80/58/56/1078805856.db2.gz MMSQHHSUTCDXTI-LBPRGKRZSA-N 1 1 403.284 2.303 20 10 HECDMO C[C@H]1C[N@@H+](Cc2cc(Br)ccc2O)CCN1c1nccn2cnnc12 ZINC000770280808 1078805857 /nfs/dbraw/zinc/80/58/57/1078805857.db2.gz MMSQHHSUTCDXTI-LBPRGKRZSA-N 1 1 403.284 2.303 20 10 HECDMO O=C(N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)c1ccc2c(c1)C(=O)NC2=O ZINC000771059440 1079119704 /nfs/dbraw/zinc/11/97/04/1079119704.db2.gz RHXZBEVWKJRGHP-OAHLLOKOSA-N 1 1 413.861 2.324 20 10 HECDMO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)C1C[C@@H]2COC[C@H](C1)C2=O ZINC000771067210 1079124399 /nfs/dbraw/zinc/12/43/99/1079124399.db2.gz SPUNYQAYAGFEAG-NPVYPNSJSA-N 1 1 406.910 2.368 20 10 HECDMO O=C(N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)C1C[C@@H]2COC[C@H](C1)C2=O ZINC000771067210 1079124402 /nfs/dbraw/zinc/12/44/02/1079124402.db2.gz SPUNYQAYAGFEAG-NPVYPNSJSA-N 1 1 406.910 2.368 20 10 HECDMO CCC[C@@H]1CN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC[N@H+]1CCOC ZINC000766764508 1079352904 /nfs/dbraw/zinc/35/29/04/1079352904.db2.gz NVFCUBCVENFHNG-LJQANCHMSA-N 1 1 422.545 2.305 20 10 HECDMO Cc1cc[nH+]c(N2CCN(C(=O)NCc3ccc(N4CCOCC4)c(F)c3)CC2)c1 ZINC000766879580 1079472735 /nfs/dbraw/zinc/47/27/35/1079472735.db2.gz RSXZBXZWXSAJDV-UHFFFAOYSA-N 1 1 413.497 2.398 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)N[C@H](C)Cc3c(C)noc3C)CC2)cc1 ZINC000738462506 1076003475 /nfs/dbraw/zinc/00/34/75/1076003475.db2.gz UXLAJZJIXQERGV-MRXNPFEDSA-N 1 1 415.538 2.352 20 10 HECDMO COC(=O)c1ccc(-n2c(C)cc(C(=O)CN3CC[NH+](C[C@@H](C)O)CC3)c2C)cc1 ZINC000739390884 1076057159 /nfs/dbraw/zinc/05/71/59/1076057159.db2.gz HKMIMTOMGJIRSG-QGZVFWFLSA-N 1 1 413.518 2.062 20 10 HECDMO CN(C)S(=O)(=O)c1ccc(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000766240204 1076089285 /nfs/dbraw/zinc/08/92/85/1076089285.db2.gz WMKZKWRQUIOYLB-UHFFFAOYSA-N 1 1 403.548 2.406 20 10 HECDMO C[C@@H](C(=O)OCC(=O)NCc1ccc(N2CCOCC2)c(F)c1)[NH+]1CCCCCC1 ZINC000741030847 1076344322 /nfs/dbraw/zinc/34/43/22/1076344322.db2.gz ZZINPNNGGVUOSG-KRWDZBQOSA-N 1 1 421.513 2.086 20 10 HECDMO Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)cn1 ZINC000741097061 1076368897 /nfs/dbraw/zinc/36/88/97/1076368897.db2.gz KAZDVXNRKUIWJL-UHFFFAOYSA-N 1 1 402.458 2.207 20 10 HECDMO O=S(=O)(CC1CCOCC1)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000742301734 1076811881 /nfs/dbraw/zinc/81/18/81/1076811881.db2.gz XUJPHOCPWZJQMR-QGZVFWFLSA-N 1 1 402.944 2.356 20 10 HECDMO O=S(=O)(CC1CCOCC1)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000742301734 1076811884 /nfs/dbraw/zinc/81/18/84/1076811884.db2.gz XUJPHOCPWZJQMR-QGZVFWFLSA-N 1 1 402.944 2.356 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)N3CCc4ccc(O)cc4C3)CC2)cc1 ZINC000742939426 1076896551 /nfs/dbraw/zinc/89/65/51/1076896551.db2.gz DTASPZLCVYDLJP-UHFFFAOYSA-N 1 1 410.518 2.291 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)[C@H](C)NC(=O)C3CCCCC3)CC2)cc1 ZINC000742916044 1076897155 /nfs/dbraw/zinc/89/71/55/1076897155.db2.gz AKKBKEICQSVECN-SFHVURJKSA-N 1 1 416.566 2.018 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)c3cc(F)cc4nccnc43)CC2)cc1 ZINC000742916062 1076897172 /nfs/dbraw/zinc/89/71/72/1076897172.db2.gz BAKLBXVHTAWFRB-UHFFFAOYSA-N 1 1 409.465 2.330 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)C[C@H](C)NC(=O)c3ccccc3)CC2)cc1 ZINC000742927131 1076898525 /nfs/dbraw/zinc/89/85/25/1076898525.db2.gz JRRIESYXWUTMCY-IBGZPJMESA-N 1 1 424.545 2.142 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)/C(=C/c3ccccc3)NC(C)=O)CC2)cc1 ZINC000742927418 1076898547 /nfs/dbraw/zinc/89/85/47/1076898547.db2.gz QUAIXXLHXYPENV-NKFKGCMQSA-N 1 1 422.529 2.111 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)c3cc(Br)c[nH]3)CC2)cc1 ZINC000742927119 1076898552 /nfs/dbraw/zinc/89/85/52/1076898552.db2.gz JEBZUUBNFGGPFN-UHFFFAOYSA-N 1 1 407.312 2.338 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)N3CCN(c4ccccc4)CC3)CC2)cc1 ZINC000742948475 1076899456 /nfs/dbraw/zinc/89/94/56/1076899456.db2.gz UCSDJVJWJBBXIA-UHFFFAOYSA-N 1 1 423.561 2.349 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)Nc3ccc(-n4cccn4)nc3)CC2)cc1 ZINC000743294541 1077025931 /nfs/dbraw/zinc/02/59/31/1077025931.db2.gz NLEIPKVYLWACOM-UHFFFAOYSA-N 1 1 421.505 2.220 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)N[C@@H](CO)C3CCCCC3)CC2)cc1 ZINC000743362375 1077032706 /nfs/dbraw/zinc/03/27/06/1077032706.db2.gz BBECDORFCKLYLK-NRFANRHFSA-N 1 1 404.555 2.058 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)NCCCn3nc(C)cc3C)CC2)cc1 ZINC000743363940 1077032949 /nfs/dbraw/zinc/03/29/49/1077032949.db2.gz XVBOROQBCXMCIE-UHFFFAOYSA-N 1 1 414.554 2.020 20 10 HECDMO CC[C@@H](CO)[NH+]1CCN(CC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)CC1 ZINC000744420202 1077378891 /nfs/dbraw/zinc/37/88/91/1077378891.db2.gz YENMTRHUNNDGQT-SFHVURJKSA-N 1 1 413.518 2.394 20 10 HECDMO CCOC(=O)c1cnn2c1[nH]c(C[NH+]1CCN(c3ccc(CC)cc3)CC1)cc2=O ZINC000744423125 1077385997 /nfs/dbraw/zinc/38/59/97/1077385997.db2.gz YEPISNNUMDFQEB-UHFFFAOYSA-N 1 1 409.490 2.496 20 10 HECDMO COc1cc(C[C@H](CO)C[NH2+]Cc2ccc(N3CCN(C)CC3)cc2)cc(OC)c1 ZINC000771844417 1079534367 /nfs/dbraw/zinc/53/43/67/1079534367.db2.gz UUUJHHPIACUDDY-NRFANRHFSA-N 1 1 413.562 2.396 20 10 HECDMO C[C@@H]1CN(c2ccc(CNC(=O)CN3CC[N@@H+](C)CC3(C)C)cc2F)C[C@@H](C)O1 ZINC000766999840 1079599643 /nfs/dbraw/zinc/59/96/43/1079599643.db2.gz XWSSAELPYLUMMC-IAGOWNOFSA-N 1 1 406.546 2.082 20 10 HECDMO COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](CC(=O)N2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000772375761 1079853003 /nfs/dbraw/zinc/85/30/03/1079853003.db2.gz QYZFIZIZLWGSIG-GOSISDBHSA-N 1 1 417.550 2.255 20 10 HECDMO C[C@@H]1CN(c2ccc(CNC(=O)C[N@@H+](C)CC3CCOCC3)cc2F)C[C@@H](C)O1 ZINC000767704201 1080032316 /nfs/dbraw/zinc/03/23/16/1080032316.db2.gz HUBZBOSIFGKLHM-IAGOWNOFSA-N 1 1 407.530 2.414 20 10 HECDMO Cc1cc(C(=O)C[N@@H+](C[C@@H](C)O)[C@@H](C)CO)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000785533777 1080043572 /nfs/dbraw/zinc/04/35/72/1080043572.db2.gz DVADZXRFHXENTM-JKSUJKDBSA-N 1 1 402.491 2.112 20 10 HECDMO Cc1cc(C(=O)C[N@H+](C[C@@H](C)O)[C@@H](C)CO)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000785533777 1080043579 /nfs/dbraw/zinc/04/35/79/1080043579.db2.gz DVADZXRFHXENTM-JKSUJKDBSA-N 1 1 402.491 2.112 20 10 HECDMO COC(OC)c1c(C[N@H+]2CC[C@@H](CO)C2)ccnc1NCc1ccc(O)c(O)c1 ZINC001169990187 1080438875 /nfs/dbraw/zinc/43/88/75/1080438875.db2.gz BSBMIJHGFULJKD-OAHLLOKOSA-N 1 1 403.479 2.211 20 10 HECDMO COc1cc(Br)cc(C[N@H+]2CCCC[C@H]2CCNS(C)(=O)=O)c1O ZINC000768437713 1080558743 /nfs/dbraw/zinc/55/87/43/1080558743.db2.gz DQGUGKYTPQXEBA-AWEZNQCLSA-N 1 1 421.357 2.457 20 10 HECDMO Cc1cccc(C)c1NC(=O)CN1CC[NH+](Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000768440776 1080561420 /nfs/dbraw/zinc/56/14/20/1080561420.db2.gz DLOJRGQIUSCGDV-FQEVSTJZSA-N 1 1 411.502 2.191 20 10 HECDMO COc1cc(O)c(C[NH+]2CCN([C@H]3CCN(c4ccccc4)C3=O)CC2)cc1OC ZINC000768445782 1080565161 /nfs/dbraw/zinc/56/51/61/1080565161.db2.gz HYRFSIUZGNKQCO-IBGZPJMESA-N 1 1 411.502 2.333 20 10 HECDMO O=C(CN1CC[NH+](Cc2cc3c(cc2O)OC[C@H]3O)CC1)Nc1ccc(Cl)cc1 ZINC000768465952 1080585309 /nfs/dbraw/zinc/58/53/09/1080585309.db2.gz UIDJIIUMRMQEBN-LJQANCHMSA-N 1 1 417.893 2.228 20 10 HECDMO NC(=O)COc1cccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)c1 ZINC000768910866 1080850951 /nfs/dbraw/zinc/85/09/51/1080850951.db2.gz APUICEIBMSKWQK-QGZVFWFLSA-N 1 1 417.893 2.304 20 10 HECDMO CCOc1ccc(C[N@@H+](C)CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(O)c1 ZINC000768991986 1080878570 /nfs/dbraw/zinc/87/85/70/1080878570.db2.gz NSIHVOZYADFFLR-UHFFFAOYSA-N 1 1 407.511 2.302 20 10 HECDMO CCc1nc([C@H](C)NC(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)n[nH]1 ZINC000769058619 1080914917 /nfs/dbraw/zinc/91/49/17/1080914917.db2.gz YLROKMQZBANUOY-INIZCTEOSA-N 1 1 411.554 2.460 20 10 HECDMO C[C@@H](NC(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000787063960 1080975594 /nfs/dbraw/zinc/97/55/94/1080975594.db2.gz IROHRQXTWLGBLQ-RTBURBONSA-N 1 1 416.566 2.479 20 10 HECDMO COc1cc(Br)cc(C[N@@H+]2CCCC[C@H]2C(=O)N2CCOCC2)c1O ZINC000769309781 1081038676 /nfs/dbraw/zinc/03/86/76/1081038676.db2.gz BFZSRJFRYZMBLP-HNNXBMFYSA-N 1 1 413.312 2.377 20 10 HECDMO COc1cc(Br)cc(C[N@H+]2CCCC[C@H]2C(=O)N2CCOCC2)c1O ZINC000769309781 1081038685 /nfs/dbraw/zinc/03/86/85/1081038685.db2.gz BFZSRJFRYZMBLP-HNNXBMFYSA-N 1 1 413.312 2.377 20 10 HECDMO Cc1ccc(S(=O)(=O)NCC[N@@H+](C)Cc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000769498072 1081097431 /nfs/dbraw/zinc/09/74/31/1081097431.db2.gz DVUZDPJHWLVMLN-UHFFFAOYSA-N 1 1 421.538 2.381 20 10 HECDMO Cc1ccc(S(=O)(=O)NCC[N@H+](C)Cc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000769498072 1081097439 /nfs/dbraw/zinc/09/74/39/1081097439.db2.gz DVUZDPJHWLVMLN-UHFFFAOYSA-N 1 1 421.538 2.381 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)NCc3cc(F)cc(OC)c3)CC2)cc1 ZINC000769705799 1078529062 /nfs/dbraw/zinc/52/90/62/1078529062.db2.gz MCCSRSHGXSZIQK-UHFFFAOYSA-N 1 1 416.497 2.464 20 10 HECDMO COc1cccc(CNC(=O)NCCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)c1O ZINC000745615794 1078569075 /nfs/dbraw/zinc/56/90/75/1078569075.db2.gz FTXUONUVGKSGSP-UHFFFAOYSA-N 1 1 422.526 2.143 20 10 HECDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C1 ZINC000745690319 1078601367 /nfs/dbraw/zinc/60/13/67/1078601367.db2.gz ASPGZCWXAFGXIQ-WOJBJXKFSA-N 1 1 415.582 2.262 20 10 HECDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C1 ZINC000745690315 1078601478 /nfs/dbraw/zinc/60/14/78/1078601478.db2.gz ASPGZCWXAFGXIQ-PMACEKPBSA-N 1 1 415.582 2.262 20 10 HECDMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)NCc2c(O)ccc3c2CCCC3)cc1 ZINC000746038869 1078739351 /nfs/dbraw/zinc/73/93/51/1078739351.db2.gz VUBDUQDPKZIZPQ-UHFFFAOYSA-N 1 1 424.501 2.026 20 10 HECDMO CC(C)OCC[NH+]1CCN(C(=O)NCc2ccc(N3CCSCC3)cc2)CC1 ZINC000746415328 1078908452 /nfs/dbraw/zinc/90/84/52/1078908452.db2.gz OEWMADIDAVSQDP-UHFFFAOYSA-N 1 1 406.596 2.492 20 10 HECDMO C[C@@H]1CN(c2ccc(CNC(=O)CN(C)CC[N@@H+](C)C3CC3)cc2F)C[C@H](C)O1 ZINC000770686254 1078934501 /nfs/dbraw/zinc/93/45/01/1078934501.db2.gz XBCVKRADALMOIU-CALCHBBNSA-N 1 1 406.546 2.082 20 10 HECDMO Cc1nc(C)c(CC(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)c(=O)[nH]1 ZINC000771054588 1079115117 /nfs/dbraw/zinc/11/51/17/1079115117.db2.gz AHAVPYKXTNSMKV-INIZCTEOSA-N 1 1 404.898 2.481 20 10 HECDMO COc1ccc(N2CC[NH+](CCCNC(=O)CCC(=O)c3ccccn3)CC2)cc1 ZINC000771103979 1079154110 /nfs/dbraw/zinc/15/41/10/1079154110.db2.gz LRIOGZAYXFVTKM-UHFFFAOYSA-N 1 1 410.518 2.382 20 10 HECDMO CC[NH+]1CCN(c2cccc(NC(=O)c3ccccc3NS(C)(=O)=O)c2)CC1 ZINC000771636907 1079444649 /nfs/dbraw/zinc/44/46/49/1079444649.db2.gz LKFJUROJTPFSBT-UHFFFAOYSA-N 1 1 402.520 2.452 20 10 HECDMO COC(=O)c1ccc(-n2c(C)cc(C(=O)CN3CC[NH+](C[C@H](C)O)CC3)c2C)cc1 ZINC000739390883 1076057204 /nfs/dbraw/zinc/05/72/04/1076057204.db2.gz HKMIMTOMGJIRSG-KRWDZBQOSA-N 1 1 413.518 2.062 20 10 HECDMO 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 1076162621 /nfs/dbraw/zinc/16/26/21/1076162621.db2.gz GWWJJWYFSVPKTD-CADBVGFASA-N 1 1 420.573 2.470 20 10 HECDMO COc1ccc(N2CCN(C(=O)COC(=O)[C@@H](C)[NH+]3CCCCCC3)CC2)cc1 ZINC000741028819 1076343471 /nfs/dbraw/zinc/34/34/71/1076343471.db2.gz IZLACKLHMFLUNK-GOSISDBHSA-N 1 1 403.523 2.152 20 10 HECDMO C[C@H]1CN(c2ccc(CNC(=O)C[N@@H+](CCCCO)C3CC3)cc2F)C[C@H](C)O1 ZINC000741250140 1076420242 /nfs/dbraw/zinc/42/02/42/1076420242.db2.gz INFRYKLSGMEMTE-IRXDYDNUSA-N 1 1 407.530 2.292 20 10 HECDMO C[C@@H]1CN(c2ccc(CNC(=O)CN(C)C[C@H]3CCC[N@@H+](C)C3)cc2F)C[C@H](C)O1 ZINC000741249156 1076436408 /nfs/dbraw/zinc/43/64/08/1076436408.db2.gz CPQQKQPAPGORCA-NSHGMRRFSA-N 1 1 420.573 2.329 20 10 HECDMO CN(C)c1ccc(CNC(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1F ZINC000741406553 1076512454 /nfs/dbraw/zinc/51/24/54/1076512454.db2.gz JOKWEKUOXOZZEE-JOCHJYFZSA-N 1 1 400.498 2.328 20 10 HECDMO C[N@H+](CC(=O)Nc1cccc(S(N)(=O)=O)c1)Cc1ccc(N2CCCCC2)cc1 ZINC000741711873 1076588963 /nfs/dbraw/zinc/58/89/63/1076588963.db2.gz PGLDGFOOLGFTRW-UHFFFAOYSA-N 1 1 416.547 2.395 20 10 HECDMO C[N@@H+](CC(=O)Nc1cccc(S(N)(=O)=O)c1)Cc1ccc(N2CCCCC2)cc1 ZINC000741711873 1076588970 /nfs/dbraw/zinc/58/89/70/1076588970.db2.gz PGLDGFOOLGFTRW-UHFFFAOYSA-N 1 1 416.547 2.395 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)Cc3ccc(-n4cccn4)cc3)CC2)cc1 ZINC000742919441 1076897542 /nfs/dbraw/zinc/89/75/42/1076897542.db2.gz IPASZDWDEMCMRI-UHFFFAOYSA-N 1 1 419.529 2.362 20 10 HECDMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000743594389 1077077395 /nfs/dbraw/zinc/07/73/95/1077077395.db2.gz ULIAIDZEEBEBGN-KVSKMBFKSA-N 1 1 424.492 2.419 20 10 HECDMO CCN(CC(=O)NC(C)C)C(=O)C[N@H+](CC)Cc1cc(Br)ccc1O ZINC000743874168 1077157691 /nfs/dbraw/zinc/15/76/91/1077157691.db2.gz UZYFPHSJSFFXDX-UHFFFAOYSA-N 1 1 414.344 2.350 20 10 HECDMO CCN(CC(=O)NC(C)C)C(=O)C[N@@H+](CC)Cc1cc(Br)ccc1O ZINC000743874168 1077157702 /nfs/dbraw/zinc/15/77/02/1077157702.db2.gz UZYFPHSJSFFXDX-UHFFFAOYSA-N 1 1 414.344 2.350 20 10 HECDMO 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 1077386321 /nfs/dbraw/zinc/38/63/21/1077386321.db2.gz SHNKCZNCPVHHAU-BJLQDIEVSA-N 1 1 420.573 2.329 20 10 HECDMO CN1CCN(c2ccc(C[NH2+]CCCN3C(=O)NC4(CCCCC4)C3=O)cc2)CC1 ZINC000771823716 1079548566 /nfs/dbraw/zinc/54/85/66/1079548566.db2.gz OMHUEVICRKYSAJ-UHFFFAOYSA-N 1 1 413.566 2.173 20 10 HECDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NCCN2C(=O)CSC2=O)C1 ZINC000767666695 1080017114 /nfs/dbraw/zinc/01/71/14/1080017114.db2.gz UDHXIOQLKCHSDH-UHFFFAOYSA-N 1 1 414.531 2.219 20 10 HECDMO COc1ccc(N2CC[NH+](CCCNC(=O)N[C@@H](C)Cc3cc(C)[nH]n3)CC2)cc1 ZINC000767972607 1080242694 /nfs/dbraw/zinc/24/26/94/1080242694.db2.gz ZOTWMXQYRRUMBO-KRWDZBQOSA-N 1 1 414.554 2.169 20 10 HECDMO CCN(CC)C(=O)C[N@H+]1CCCN(Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000768252067 1080441137 /nfs/dbraw/zinc/44/11/37/1080441137.db2.gz VJMONRZTZBGNCL-UHFFFAOYSA-N 1 1 406.546 2.038 20 10 HECDMO CCN(CC)C(=O)CN1CCC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000768252067 1080441153 /nfs/dbraw/zinc/44/11/53/1080441153.db2.gz VJMONRZTZBGNCL-UHFFFAOYSA-N 1 1 406.546 2.038 20 10 HECDMO CCN(CC)C(=O)CN1CCC[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000768252067 1080441169 /nfs/dbraw/zinc/44/11/69/1080441169.db2.gz VJMONRZTZBGNCL-UHFFFAOYSA-N 1 1 406.546 2.038 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)N3CC[C@@H](C(C)(C)C)[C@@H](O)C3)CC2)cc1 ZINC000768292957 1080463795 /nfs/dbraw/zinc/46/37/95/1080463795.db2.gz DTRTYHZCKKJBFZ-RTWAWAEBSA-N 1 1 418.582 2.256 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)NCC[C@H](OC)C(F)(F)F)CC2)cc1 ZINC000786728824 1080778695 /nfs/dbraw/zinc/77/86/95/1080778695.db2.gz YAHKAUZAOFBNTJ-KRWDZBQOSA-N 1 1 418.460 2.084 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)NCC[C@@H](OC)C(F)(F)F)CC2)cc1 ZINC000786728826 1080779011 /nfs/dbraw/zinc/77/90/11/1080779011.db2.gz YAHKAUZAOFBNTJ-QGZVFWFLSA-N 1 1 418.460 2.084 20 10 HECDMO O=C(CNC(=O)NCc1ccco1)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000768912621 1080851339 /nfs/dbraw/zinc/85/13/39/1080851339.db2.gz PXPOBWCGIMEXKH-INIZCTEOSA-N 1 1 420.897 2.219 20 10 HECDMO NC(=O)COc1ccc(C(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)cc1 ZINC000768913015 1080853074 /nfs/dbraw/zinc/85/30/74/1080853074.db2.gz URFPPUQRMSMBTD-KRWDZBQOSA-N 1 1 417.893 2.304 20 10 HECDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)OCC(=O)N2CCO[C@H](C)C2)C1 ZINC000769665146 1078503788 /nfs/dbraw/zinc/50/37/88/1078503788.db2.gz QLHFXSJHTMJMAG-QGZVFWFLSA-N 1 1 413.518 2.198 20 10 HECDMO COc1ccc(N2CCN(C[C@@H](O)C[N@H+]3CC[C@H](CC(F)(F)F)C3)CC2)cc1 ZINC000769867524 1078588077 /nfs/dbraw/zinc/58/80/77/1078588077.db2.gz XZMMFGCFZFSHGH-SJLPKXTDSA-N 1 1 401.473 2.452 20 10 HECDMO C[C@H](NC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1)c1ccc(N2CCOCC2)cc1 ZINC000745781159 1078640228 /nfs/dbraw/zinc/64/02/28/1078640228.db2.gz XRLRTFFJTSTWEX-SIKLNZKXSA-N 1 1 416.566 2.481 20 10 HECDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000745784705 1078642952 /nfs/dbraw/zinc/64/29/52/1078642952.db2.gz YVAPRFOXQOQAFA-FQEVSTJZSA-N 1 1 417.598 2.191 20 10 HECDMO CO[C@@H](C)c1noc(CN2CCC[N@@H+](Cc3ccc(N4CCOCC4)cc3)CC2)n1 ZINC000770283793 1078807155 /nfs/dbraw/zinc/80/71/55/1078807155.db2.gz YCFJRAFBEZOCIO-SFHVURJKSA-N 1 1 415.538 2.322 20 10 HECDMO COc1ccc(N2CC[NH+](Cc3c(C)nn(C)c3N3CCOCC3)CC2)cc1F ZINC000770304882 1078825178 /nfs/dbraw/zinc/82/51/78/1078825178.db2.gz CJKNZYOYMVMJFJ-UHFFFAOYSA-N 1 1 403.502 2.035 20 10 HECDMO CC(C)OCC[NH+]1CCN(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CC1 ZINC000746415350 1078908396 /nfs/dbraw/zinc/90/83/96/1078908396.db2.gz OPEDIAKTTVHQHH-UHFFFAOYSA-N 1 1 422.545 2.039 20 10 HECDMO Cc1ccc(NC(=O)[C@H]2CCC[N@H+](CC(=O)NCc3ccc(N(C)C)cc3)C2)nc1 ZINC000746457026 1078996078 /nfs/dbraw/zinc/99/60/78/1078996078.db2.gz ICIQBVOFIQPQOY-IBGZPJMESA-N 1 1 409.534 2.423 20 10 HECDMO O=C(NCCCSc1nccs1)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000804278257 1079003185 /nfs/dbraw/zinc/00/31/85/1079003185.db2.gz RXVRVQJZPYQJJU-KRWDZBQOSA-N 1 1 418.588 2.380 20 10 HECDMO COc1ccc(N2CCN(C(=O)Cc3noc(C[NH+]4CCC(C)CC4)n3)CC2)cc1 ZINC000771054329 1079115546 /nfs/dbraw/zinc/11/55/46/1079115546.db2.gz AAXJYCPFZIYREF-UHFFFAOYSA-N 1 1 413.522 2.201 20 10 HECDMO C[C@H](C(=O)OCC(=O)NCc1ccc(N2CCOCC2)c(F)c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000741015519 1076325526 /nfs/dbraw/zinc/32/55/26/1076325526.db2.gz BZBGFQKWRSYXPT-IXDOHACOSA-N 1 1 421.513 2.083 20 10 HECDMO C[C@H](C(=O)OCC(=O)NCc1ccc(N2CCOCC2)c(F)c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000741015519 1076325534 /nfs/dbraw/zinc/32/55/34/1076325534.db2.gz BZBGFQKWRSYXPT-IXDOHACOSA-N 1 1 421.513 2.083 20 10 HECDMO COc1ccc(N2CCN(C(=O)COC(=O)[C@H](C)[NH+]3[C@@H](C)CC[C@@H]3C)CC2)cc1 ZINC000741018381 1076338264 /nfs/dbraw/zinc/33/82/64/1076338264.db2.gz RIXRJUNDYGSFGL-BZSNNMDCSA-N 1 1 403.523 2.148 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)N[C@H](CCO)c3ccccc3)CC2)cc1 ZINC000741083528 1076357546 /nfs/dbraw/zinc/35/75/46/1076357546.db2.gz SHBCMVMQACIRQP-JOCHJYFZSA-N 1 1 412.534 2.240 20 10 HECDMO O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741216813 1076407482 /nfs/dbraw/zinc/40/74/82/1076407482.db2.gz MXVDVSKCKCNSBB-DEOSSOPVSA-N 1 1 423.557 2.413 20 10 HECDMO O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741216813 1076407484 /nfs/dbraw/zinc/40/74/84/1076407484.db2.gz MXVDVSKCKCNSBB-DEOSSOPVSA-N 1 1 423.557 2.413 20 10 HECDMO C[C@H](O)C[N@H+](CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)Cc1ccccc1 ZINC000741251721 1076420709 /nfs/dbraw/zinc/42/07/09/1076420709.db2.gz MDLVQGLKBYEVMM-SFHVURJKSA-N 1 1 415.509 2.162 20 10 HECDMO C[C@H](O)C[N@@H+](CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)Cc1ccccc1 ZINC000741251721 1076420716 /nfs/dbraw/zinc/42/07/16/1076420716.db2.gz MDLVQGLKBYEVMM-SFHVURJKSA-N 1 1 415.509 2.162 20 10 HECDMO C[C@@H]1CN(c2ccc(CNC(=O)CN(C)C[C@H]3CCC[N@@H+](C)C3)cc2F)C[C@@H](C)O1 ZINC000741248822 1076436057 /nfs/dbraw/zinc/43/60/57/1076436057.db2.gz CPQQKQPAPGORCA-GGPKGHCWSA-N 1 1 420.573 2.329 20 10 HECDMO C[N@H+](CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1ccc(N2CCOCC2)cc1 ZINC000741730876 1076610593 /nfs/dbraw/zinc/61/05/93/1076610593.db2.gz WUOAMDSCEPAEBN-UHFFFAOYSA-N 1 1 424.545 2.430 20 10 HECDMO C[N@@H+](CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1ccc(N2CCOCC2)cc1 ZINC000741730876 1076610597 /nfs/dbraw/zinc/61/05/97/1076610597.db2.gz WUOAMDSCEPAEBN-UHFFFAOYSA-N 1 1 424.545 2.430 20 10 HECDMO O=C(C[N@H+]1CCCC2(CCOCC2)C1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000741802836 1076642515 /nfs/dbraw/zinc/64/25/15/1076642515.db2.gz UJDZCVWBPUESDL-UHFFFAOYSA-N 1 1 405.514 2.171 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)Cc3cc4ccccc4[nH]c3=O)CC2)cc1 ZINC000742920338 1076897744 /nfs/dbraw/zinc/89/77/44/1076897744.db2.gz OFSFZKKLKGVLPV-UHFFFAOYSA-N 1 1 420.513 2.430 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)Nc3cnn(CC(C)C)c3)CC2)cc1 ZINC000743222624 1077006486 /nfs/dbraw/zinc/00/64/86/1077006486.db2.gz XXHMJTOCQFUZME-UHFFFAOYSA-N 1 1 400.527 2.491 20 10 HECDMO COc1ccc(N2CCN(CCNC(=O)NC[C@H](C)[N@H+]3CCCC[C@H]3C)CC2)cc1 ZINC000743362685 1077032379 /nfs/dbraw/zinc/03/23/79/1077032379.db2.gz HUIHYIXHYGLJRZ-UXHICEINSA-N 1 1 417.598 2.379 20 10 HECDMO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000743594386 1077077540 /nfs/dbraw/zinc/07/75/40/1077077540.db2.gz ULIAIDZEEBEBGN-HHXXYDBFSA-N 1 1 424.492 2.419 20 10 HECDMO CC[N@@H+](Cc1cc(Br)ccc1O)[C@@H](C)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000743874198 1077157817 /nfs/dbraw/zinc/15/78/17/1077157817.db2.gz VXLKBWXZWXGUSS-STQMWFEESA-N 1 1 412.328 2.089 20 10 HECDMO CC[N@@H+](CC(=O)N1CCC[C@@H](NC(C)=O)C1)Cc1cc(Br)ccc1O ZINC000744425716 1077388840 /nfs/dbraw/zinc/38/88/40/1077388840.db2.gz KXLPDALEKKSJMH-MRXNPFEDSA-N 1 1 412.328 2.104 20 10 HECDMO COc1ccc(N2CCN(C(=O)C[N@@H+]3CCC[C@@H](CC(=O)OC(C)C)C3)CC2)cc1 ZINC000766904981 1079516177 /nfs/dbraw/zinc/51/61/77/1079516177.db2.gz JCIAPQQOEOMDHV-IBGZPJMESA-N 1 1 417.550 2.398 20 10 HECDMO COc1ccc(N2CCN(C(=O)C[N@H+]3CCC[C@@H](CC(=O)OC(C)C)C3)CC2)cc1 ZINC000766904981 1079516185 /nfs/dbraw/zinc/51/61/85/1079516185.db2.gz JCIAPQQOEOMDHV-IBGZPJMESA-N 1 1 417.550 2.398 20 10 HECDMO Cc1cc(S(=O)(=O)NCC[NH2+]Cc2ccc(N3CCN(C)CC3)cc2)c(C)s1 ZINC000771855730 1079567740 /nfs/dbraw/zinc/56/77/40/1079567740.db2.gz JZZJDEZZRQABDP-UHFFFAOYSA-N 1 1 422.620 2.185 20 10 HECDMO C[C@H]1CN(c2ccc(CNC(=O)C[N@@H+](C)CC3CCOCC3)cc2F)C[C@H](C)O1 ZINC000767704202 1080032262 /nfs/dbraw/zinc/03/22/62/1080032262.db2.gz HUBZBOSIFGKLHM-IRXDYDNUSA-N 1 1 407.530 2.414 20 10 HECDMO CC(C)N1CCc2c(c3ccccc3n2CC(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000767777413 1080082996 /nfs/dbraw/zinc/08/29/96/1080082996.db2.gz TVRJMEOHGSEENL-RTBURBONSA-N 1 1 410.562 2.387 20 10 HECDMO CC(C)N1CCc2c(c3ccccc3n2CC(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000767777413 1080083004 /nfs/dbraw/zinc/08/30/04/1080083004.db2.gz TVRJMEOHGSEENL-RTBURBONSA-N 1 1 410.562 2.387 20 10 HECDMO C[C@H](C(=O)Nc1cccc(F)c1)N1CC[NH+](Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000768440189 1080560811 /nfs/dbraw/zinc/56/08/11/1080560811.db2.gz UCISVULOEJYISO-VLIAUNLRSA-N 1 1 415.465 2.102 20 10 HECDMO C[NH+](C)CCOc1ccccc1N1CCN(Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000768444896 1080564098 /nfs/dbraw/zinc/56/40/98/1080564098.db2.gz DBWIBWWTISOGKA-OAQYLSRUSA-N 1 1 413.518 2.081 20 10 HECDMO COCCNc1nc(N(C)Cc2ccccc2O)nc(N(C)Cc2ccccc2O)[nH+]1 ZINC000786792532 1080824359 /nfs/dbraw/zinc/82/43/59/1080824359.db2.gz DKWLLUQIVJRZIX-UHFFFAOYSA-N 1 1 424.505 2.036 20 10 HECDMO C[C@@H]1CN(c2ccc(CNC(=O)C[NH2+][C@H](CCO)c3ccco3)cc2F)C[C@H](C)O1 ZINC000769220961 1081006364 /nfs/dbraw/zinc/00/63/64/1081006364.db2.gz JKVIGRMMIWUAQB-JTDSTZFVSA-N 1 1 419.497 2.362 20 10 HECDMO COCCCNC(=O)[C@@H](C)N1CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000769331015 1081044548 /nfs/dbraw/zinc/04/45/48/1081044548.db2.gz YUFBEEPBDJJCRX-HXUWFJFHSA-N 1 1 402.583 2.336 20 10 HECDMO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000769814499 1078573706 /nfs/dbraw/zinc/57/37/06/1078573706.db2.gz HXFXZUJZACQBOJ-OAHLLOKOSA-N 1 1 403.504 2.110 20 10 HECDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000769814499 1078573710 /nfs/dbraw/zinc/57/37/10/1078573710.db2.gz HXFXZUJZACQBOJ-OAHLLOKOSA-N 1 1 403.504 2.110 20 10 HECDMO COc1ccc(N2CCN(C[C@@H](O)C[N@H+]3CC[C@@H](CC(F)(F)F)C3)CC2)cc1 ZINC000769867523 1078588050 /nfs/dbraw/zinc/58/80/50/1078588050.db2.gz XZMMFGCFZFSHGH-FUHWJXTLSA-N 1 1 401.473 2.452 20 10 HECDMO Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000771063985 1079122652 /nfs/dbraw/zinc/12/26/52/1079122652.db2.gz GJQIDOZZOCKCRE-HNNXBMFYSA-N 1 1 420.897 2.269 20 10 HECDMO COCCn1cc(C(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)ccc1=O ZINC000771065582 1079123345 /nfs/dbraw/zinc/12/33/45/1079123345.db2.gz NRUWQZAYSVQJTA-SFHVURJKSA-N 1 1 419.909 2.248 20 10 HECDMO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC2CCN(c3ccc(OC)cc3)CC2)C[C@H]1C ZINC000804318353 1079264485 /nfs/dbraw/zinc/26/44/85/1079264485.db2.gz IIZCRMRXSGUHKB-XLIONFOSSA-N 1 1 416.566 2.111 20 10 HECDMO C[C@@H]1CN(c2ccc(CNC(=O)C[N@H+](C)CCc3cnccn3)cc2F)C[C@@H](C)O1 ZINC000771464774 1079362209 /nfs/dbraw/zinc/36/22/09/1079362209.db2.gz QBSJUZLPINLVFR-IAGOWNOFSA-N 1 1 415.513 2.020 20 10 HECDMO C[C@@H]1CN(c2ccc(CNC(=O)C[N@@H+](C)CCc3cnccn3)cc2F)C[C@@H](C)O1 ZINC000771464774 1079362214 /nfs/dbraw/zinc/36/22/14/1079362214.db2.gz QBSJUZLPINLVFR-IAGOWNOFSA-N 1 1 415.513 2.020 20 10 HECDMO COCCCNC(=O)[C@H](C)N1CC[NH+](Cc2cc(C(C)(C)C)cc(O)c2O)CC1 ZINC000738169292 1075972568 /nfs/dbraw/zinc/97/25/68/1075972568.db2.gz HVFVJDXTOOSEJJ-INIZCTEOSA-N 1 1 407.555 2.054 20 10 HECDMO COc1ccc(N2CCN(C(=O)C[N@@H+]3CCC[C@@H](c4nnc(C5CC5)[nH]4)C3)CC2)cc1 ZINC000766255935 1076225897 /nfs/dbraw/zinc/22/58/97/1076225897.db2.gz GLGIZANXNFULTD-GOSISDBHSA-N 1 1 424.549 2.219 20 10 HECDMO COc1ccc(N2CCN(C(=O)C[N@H+]3CCC[C@@H](c4nnc(C5CC5)[nH]4)C3)CC2)cc1 ZINC000766255935 1076225901 /nfs/dbraw/zinc/22/59/01/1076225901.db2.gz GLGIZANXNFULTD-GOSISDBHSA-N 1 1 424.549 2.219 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)[C@@H](C)NC(=O)C3CCCCC3)CC2)cc1 ZINC000742916043 1076897184 /nfs/dbraw/zinc/89/71/84/1076897184.db2.gz AKKBKEICQSVECN-GOSISDBHSA-N 1 1 416.566 2.018 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)Nc3ccc(-n4nccn4)cc3)CC2)cc1 ZINC000743294484 1077025862 /nfs/dbraw/zinc/02/58/62/1077025862.db2.gz KWTDSWAQSVHZPC-UHFFFAOYSA-N 1 1 421.505 2.220 20 10 HECDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000743806627 1077126589 /nfs/dbraw/zinc/12/65/89/1077126589.db2.gz MYDYBDGJBZWYOD-KRWDZBQOSA-N 1 1 417.531 2.358 20 10 HECDMO NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)NCC[NH+]3Cc4ccccc4C3)cc2)C1 ZINC000744305471 1077366621 /nfs/dbraw/zinc/36/66/21/1077366621.db2.gz UCUQOUIGARGOFD-NRFANRHFSA-N 1 1 421.545 2.203 20 10 HECDMO CN1CCN(c2ccc(C[NH2+][C@H]3CN(Cc4ccccc4)CC[C@@H]3CO)cc2)CC1 ZINC000771841815 1079532934 /nfs/dbraw/zinc/53/29/34/1079532934.db2.gz LPSAJVTYXNGCHD-NOZRDPDXSA-N 1 1 408.590 2.411 20 10 HECDMO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCC[C@@H](Oc3ncccc3F)C1)cc2=O ZINC000785837113 1080266061 /nfs/dbraw/zinc/26/60/61/1080266061.db2.gz FJJYQWALMMXWBD-CQSZACIVSA-N 1 1 415.425 2.189 20 10 HECDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCC[C@@H](Oc3ncccc3F)C1)cc2=O ZINC000785837113 1080266071 /nfs/dbraw/zinc/26/60/71/1080266071.db2.gz FJJYQWALMMXWBD-CQSZACIVSA-N 1 1 415.425 2.189 20 10 HECDMO COc1cc(Br)cc(C[N@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)c1O ZINC000768234045 1080434516 /nfs/dbraw/zinc/43/45/16/1080434516.db2.gz GKEYKNMHQFZFOZ-ZDUSSCGKSA-N 1 1 413.312 2.234 20 10 HECDMO O=C(Cc1cccc(F)c1)N1CCC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000768462739 1080583745 /nfs/dbraw/zinc/58/37/45/1080583745.db2.gz CPJGBOBDXBLZQN-HXUWFJFHSA-N 1 1 400.450 2.234 20 10 HECDMO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)O[C@@H](C)CN(C)S(C)(=O)=O)C1 ZINC000786607187 1080705553 /nfs/dbraw/zinc/70/55/53/1080705553.db2.gz QXKGTIDEQCEJCR-INIZCTEOSA-N 1 1 421.563 2.231 20 10 HECDMO C[C@@H]1CN(c2ccc(CNC(=O)C[NH2+][C@H](CCO)c3ccco3)cc2F)C[C@@H](C)O1 ZINC000769220960 1081006125 /nfs/dbraw/zinc/00/61/25/1081006125.db2.gz JKVIGRMMIWUAQB-GPMSIDNRSA-N 1 1 419.497 2.362 20 10 HECDMO C[C@@H]1C[C@H](N(C)C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CC[N@H+]1C ZINC000745692040 1078587954 /nfs/dbraw/zinc/58/79/54/1078587954.db2.gz QWVJHNLQTFLZRC-IMFGXOCKSA-N 1 1 401.555 2.012 20 10 HECDMO C[C@@H](NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000770107069 1078731431 /nfs/dbraw/zinc/73/14/31/1078731431.db2.gz GRMLXPKJZVTTAZ-KDOFPFPSSA-N 1 1 412.481 2.275 20 10 HECDMO C[C@@H](NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000770107069 1078731427 /nfs/dbraw/zinc/73/14/27/1078731427.db2.gz GRMLXPKJZVTTAZ-KDOFPFPSSA-N 1 1 412.481 2.275 20 10 HECDMO CC[N@H+]1CC[C@H](N(C)C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)[C@H](C)C1 ZINC000746317108 1078855967 /nfs/dbraw/zinc/85/59/67/1078855967.db2.gz OFJWZSCLTWCMRO-LMNJBCLMSA-N 1 1 415.582 2.260 20 10 HECDMO Cc1occc1C(=O)NCC(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000771051909 1079114682 /nfs/dbraw/zinc/11/46/82/1079114682.db2.gz DAHJEBLSIKPBOC-INIZCTEOSA-N 1 1 405.882 2.458 20 10 HECDMO Cc1cc(O)cc(=O)n1CC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000771064078 1079122593 /nfs/dbraw/zinc/12/25/93/1079122593.db2.gz HISLBBBABYUOAC-MRXNPFEDSA-N 1 1 405.882 2.002 20 10 HECDMO COc1ccc(N2CCN(C(=O)CN3CCC[N@H+](C4CCCC4)CC3)CC2)cc1 ZINC000738335034 1075983443 /nfs/dbraw/zinc/98/34/43/1075983443.db2.gz LWEHLPKYTWRFLF-UHFFFAOYSA-N 1 1 400.567 2.294 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)NCc3ccc(O)c(F)c3)CC2)cc1 ZINC000738992005 1076029917 /nfs/dbraw/zinc/02/99/17/1076029917.db2.gz XQAUHBFIQHYHFZ-UHFFFAOYSA-N 1 1 402.470 2.161 20 10 HECDMO CC[N@@H+]1C[C@@H](C)N(C(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)C[C@@H]1C ZINC000766245147 1076121313 /nfs/dbraw/zinc/12/13/13/1076121313.db2.gz YVVQKBSDYATAGG-VQTJNVASSA-N 1 1 417.598 2.331 20 10 HECDMO CC[N@H+]1C[C@@H](C)N(C(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)C[C@@H]1C ZINC000766245147 1076121323 /nfs/dbraw/zinc/12/13/23/1076121323.db2.gz YVVQKBSDYATAGG-VQTJNVASSA-N 1 1 417.598 2.331 20 10 HECDMO CN(C)c1ccc(CNC(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1F ZINC000741406554 1076512410 /nfs/dbraw/zinc/51/24/10/1076512410.db2.gz JOKWEKUOXOZZEE-QFIPXVFZSA-N 1 1 400.498 2.328 20 10 HECDMO C[N@H+](CC(=O)Nc1ccc(S(N)(=O)=O)cc1)Cc1ccc(N2CCCCC2)cc1 ZINC000741711735 1076588842 /nfs/dbraw/zinc/58/88/42/1076588842.db2.gz NLEJMFKHBFBQFX-UHFFFAOYSA-N 1 1 416.547 2.395 20 10 HECDMO C[N@@H+](CC(=O)Nc1ccc(S(N)(=O)=O)cc1)Cc1ccc(N2CCCCC2)cc1 ZINC000741711735 1076588850 /nfs/dbraw/zinc/58/88/50/1076588850.db2.gz NLEJMFKHBFBQFX-UHFFFAOYSA-N 1 1 416.547 2.395 20 10 HECDMO 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 1076628834 /nfs/dbraw/zinc/62/88/34/1076628834.db2.gz AZYHTTFVLTVODG-JRBPQWBISA-N 1 1 420.573 2.470 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)NC[C@@H]3COc4ccccc4C3)CC2)cc1 ZINC000742939909 1076896699 /nfs/dbraw/zinc/89/66/99/1076896699.db2.gz LOUPUIHEWGSAPC-LJQANCHMSA-N 1 1 424.545 2.368 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)NCCc3nc(C)cs3)CC2)cc1 ZINC000742940092 1076896724 /nfs/dbraw/zinc/89/67/24/1076896724.db2.gz QUNHWPHVDSLBJE-UHFFFAOYSA-N 1 1 403.552 2.124 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)COc3ccc(F)cc3F)CC2)cc1 ZINC000742921152 1076898049 /nfs/dbraw/zinc/89/80/49/1076898049.db2.gz YYECZHZDALIFQS-UHFFFAOYSA-N 1 1 405.445 2.291 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)Cc3cc(OC)ccc3OC)CC2)cc1 ZINC000742926774 1076898490 /nfs/dbraw/zinc/89/84/90/1076898490.db2.gz AGKSABAPBAGJBV-UHFFFAOYSA-N 1 1 413.518 2.193 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)Nc3ccc(C(N)=O)cc3C)CC2)cc1 ZINC000743294235 1077026074 /nfs/dbraw/zinc/02/60/74/1077026074.db2.gz FUBQWGFYTISFAE-UHFFFAOYSA-N 1 1 411.506 2.046 20 10 HECDMO COc1ccc(N2CCN(CCNC(=O)NC[C@H](C)[N@H+]3CCCC[C@@H]3C)CC2)cc1 ZINC000743362683 1077032221 /nfs/dbraw/zinc/03/22/21/1077032221.db2.gz HUIHYIXHYGLJRZ-PMACEKPBSA-N 1 1 417.598 2.379 20 10 HECDMO COc1ccc(N2CCN(CCNC(=O)NC[C@H](C)[N@H+]3CCC[C@@H](C)C3)CC2)cc1 ZINC000743362542 1077032615 /nfs/dbraw/zinc/03/26/15/1077032615.db2.gz FOMRLECFUSJLGN-UXHICEINSA-N 1 1 417.598 2.237 20 10 HECDMO COCCC[N@@H+](C)CCNC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000743555269 1077068083 /nfs/dbraw/zinc/06/80/83/1077068083.db2.gz UOPPIZLHSAAABK-IRXDYDNUSA-N 1 1 410.534 2.207 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)NCc3nc(C)c(C)s3)CC2)cc1 ZINC000743568701 1077074372 /nfs/dbraw/zinc/07/43/72/1077074372.db2.gz YAOQDIXBLFIMAH-UHFFFAOYSA-N 1 1 403.552 2.390 20 10 HECDMO CCC1(O)CC[NH+](CC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)CC1 ZINC000743855726 1077143349 /nfs/dbraw/zinc/14/33/49/1077143349.db2.gz XSCCPVYLNJWNKV-IRXDYDNUSA-N 1 1 407.530 2.292 20 10 HECDMO CN1CCN(c2ccc(C[NH2+]Cc3ccc(C(=O)N4CCOCC4)cc3)cc2)CC1 ZINC000771824369 1079547857 /nfs/dbraw/zinc/54/78/57/1079547857.db2.gz XSKCASHNVWOJBI-UHFFFAOYSA-N 1 1 408.546 2.201 20 10 HECDMO CCn1nc(C)c(NC(=O)NCC[NH+]2CCN(c3ccc(OC)cc3)CC2)c1C ZINC000772497557 1079885332 /nfs/dbraw/zinc/88/53/32/1079885332.db2.gz HNUZGADBMKDPNK-UHFFFAOYSA-N 1 1 400.527 2.472 20 10 HECDMO CC(C)NC(=O)c1cnn2c1C[C@H](C[NH2+]Cc1ccc(N3CCN(C)CC3)cc1)CC2 ZINC000785563165 1080078350 /nfs/dbraw/zinc/07/83/50/1080078350.db2.gz LGQXZZYQKWSKNY-HXUWFJFHSA-N 1 1 424.593 2.125 20 10 HECDMO CCOC(=O)[C@@H]1CN(C(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)CCO1 ZINC000767949249 1080238604 /nfs/dbraw/zinc/23/86/04/1080238604.db2.gz PRSPYSKLNVYNGC-NRFANRHFSA-N 1 1 413.518 2.198 20 10 HECDMO Oc1cc2c(cc1C[N@H+]1CCCN(c3nnc(C(F)(F)F)s3)CC1)[C@H](O)CO2 ZINC000786105363 1080398781 /nfs/dbraw/zinc/39/87/81/1080398781.db2.gz HLXURSQXSSBKAR-CYBMUJFWSA-N 1 1 416.425 2.401 20 10 HECDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000787003584 1080917620 /nfs/dbraw/zinc/91/76/20/1080917620.db2.gz YUTLGKAQTMVPOL-QGZVFWFLSA-N 1 1 420.529 2.057 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)c3ccc4c(c3)C(C)(C)C(=O)N4)CC2)cc1 ZINC000769086931 1080935457 /nfs/dbraw/zinc/93/54/57/1080935457.db2.gz SBYCWBTWDHAVOA-UHFFFAOYSA-N 1 1 422.529 2.477 20 10 HECDMO C[C@@H]1C[C@@H](N(C)C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CC[N@H+]1C ZINC000745692041 1078587827 /nfs/dbraw/zinc/58/78/27/1078587827.db2.gz QWVJHNLQTFLZRC-KPFFTGBYSA-N 1 1 401.555 2.012 20 10 HECDMO CC[NH+]1CCN(C[C@H](C)CNC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)CC1 ZINC000745778542 1078638613 /nfs/dbraw/zinc/63/86/13/1078638613.db2.gz DIMPXHXVASKAHW-UXHICEINSA-N 1 1 417.598 2.157 20 10 HECDMO CC[NH+]1CCN(C[C@H](C)CNC(=O)NC2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC000745795323 1078651093 /nfs/dbraw/zinc/65/10/93/1078651093.db2.gz FIUPZYLSTZBALH-LJQANCHMSA-N 1 1 417.598 2.237 20 10 HECDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000745795716 1078651212 /nfs/dbraw/zinc/65/12/12/1078651212.db2.gz JOTGNSZOIPGNNR-IBGZPJMESA-N 1 1 402.539 2.013 20 10 HECDMO C[C@H](NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H]1C[N@H+](C)CCO1 ZINC000770124733 1078740227 /nfs/dbraw/zinc/74/02/27/1078740227.db2.gz ROQSDQBGQUZCEB-HDMKZQKVSA-N 1 1 412.481 2.275 20 10 HECDMO C[C@H](NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000770124733 1078740229 /nfs/dbraw/zinc/74/02/29/1078740229.db2.gz ROQSDQBGQUZCEB-HDMKZQKVSA-N 1 1 412.481 2.275 20 10 HECDMO CCN1C(=O)[C@@H]2C[N@H+](Cc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)CCN2C1=O ZINC000770289706 1078810210 /nfs/dbraw/zinc/81/02/10/1078810210.db2.gz GYHNXICKSNRVPP-SFHVURJKSA-N 1 1 401.467 2.053 20 10 HECDMO CCN1C(=O)[C@@H]2C[N@@H+](Cc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)CCN2C1=O ZINC000770289706 1078810212 /nfs/dbraw/zinc/81/02/12/1078810212.db2.gz GYHNXICKSNRVPP-SFHVURJKSA-N 1 1 401.467 2.053 20 10 HECDMO C[C@@H]1CN(c2ccc(CNC(=O)C[NH2+][C@@H](CO)c3ccsc3)cc2F)C[C@H](C)O1 ZINC000770690704 1078960392 /nfs/dbraw/zinc/96/03/92/1078960392.db2.gz YLNVGIQENZVSJH-KHYOSLBOSA-N 1 1 421.538 2.440 20 10 HECDMO CN(C)c1ccc(CN(C)C(=O)C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000804278196 1079003144 /nfs/dbraw/zinc/00/31/44/1079003144.db2.gz QCPMGBRTQFHBHG-NRFANRHFSA-N 1 1 408.546 2.349 20 10 HECDMO O=C(N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)c1ccc(-n2cnnn2)cc1 ZINC000771057391 1079118004 /nfs/dbraw/zinc/11/80/04/1079118004.db2.gz ITLMHMMYXBAYOI-KRWDZBQOSA-N 1 1 412.881 2.416 20 10 HECDMO CC[N@@H+](Cc1ccccc1O)[C@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC001169210931 1079197471 /nfs/dbraw/zinc/19/74/71/1079197471.db2.gz AZUJUECBFXJGPP-MRXNPFEDSA-N 1 1 413.522 2.220 20 10 HECDMO COc1ccc(N2CCC(NC(=O)C(=O)NC[C@@H](C)[N@H+]3CCC[C@H](C)C3)CC2)cc1 ZINC000804318274 1079235694 /nfs/dbraw/zinc/23/56/94/1079235694.db2.gz GCFHGMYNSBBOGI-ZWKOTPCHSA-N 1 1 416.566 2.017 20 10 HECDMO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCC[C@H](CC(=O)OC(C)C)C1)cc2=O ZINC000766910244 1079502810 /nfs/dbraw/zinc/50/28/10/1079502810.db2.gz NHGHWLBABJTMSP-CQSZACIVSA-N 1 1 404.467 2.165 20 10 HECDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCC[C@H](CC(=O)OC(C)C)C1)cc2=O ZINC000766910244 1079502818 /nfs/dbraw/zinc/50/28/18/1079502818.db2.gz NHGHWLBABJTMSP-CQSZACIVSA-N 1 1 404.467 2.165 20 10 HECDMO CC[N@H+]1CC[C@H](N(C)CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C[C@H]1C ZINC000740883387 1076282407 /nfs/dbraw/zinc/28/24/07/1076282407.db2.gz OFVSQODQPPOPMP-MJGOQNOKSA-N 1 1 406.546 2.083 20 10 HECDMO C[C@H](C(=O)OCC(=O)NCc1ccc(N2CCOCC2)c(F)c1)[NH+]1[C@H](C)CC[C@H]1C ZINC000741015518 1076325682 /nfs/dbraw/zinc/32/56/82/1076325682.db2.gz BZBGFQKWRSYXPT-BRWVUGGUSA-N 1 1 421.513 2.083 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)NC[C@@](C)(O)CCC(C)C)CC2)cc1 ZINC000741082351 1076357149 /nfs/dbraw/zinc/35/71/49/1076357149.db2.gz AOJOWDMVEPFGMY-QFIPXVFZSA-N 1 1 406.571 2.304 20 10 HECDMO C[C@H](C(=O)Nc1sccc1C(N)=O)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000741734319 1076613701 /nfs/dbraw/zinc/61/37/01/1076613701.db2.gz CJFFFHDIROKADL-CQSZACIVSA-N 1 1 402.520 2.143 20 10 HECDMO C[C@H](C(=O)Nc1sccc1C(N)=O)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000741734319 1076613708 /nfs/dbraw/zinc/61/37/08/1076613708.db2.gz CJFFFHDIROKADL-CQSZACIVSA-N 1 1 402.520 2.143 20 10 HECDMO O=S(=O)(CC1CCOCC1)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000742301733 1076811863 /nfs/dbraw/zinc/81/18/63/1076811863.db2.gz XUJPHOCPWZJQMR-KRWDZBQOSA-N 1 1 402.944 2.356 20 10 HECDMO O=S(=O)(CC1CCOCC1)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000742301733 1076811864 /nfs/dbraw/zinc/81/18/64/1076811864.db2.gz XUJPHOCPWZJQMR-KRWDZBQOSA-N 1 1 402.944 2.356 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)NCCN(C)c3ccccc3)CC2)cc1 ZINC000742940824 1076896715 /nfs/dbraw/zinc/89/67/15/1076896715.db2.gz ZBGMMXDKPLSAOH-UHFFFAOYSA-N 1 1 411.550 2.253 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)C3=NO[C@H](c4ccccc4)C3)CC2)cc1 ZINC000742916170 1076897220 /nfs/dbraw/zinc/89/72/20/1076897220.db2.gz DJQVQQZVKFUCGK-QFIPXVFZSA-N 1 1 408.502 2.451 20 10 HECDMO COc1ccc(O[C@H](C)C(=O)NCC[NH+]2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000742921761 1076897871 /nfs/dbraw/zinc/89/78/71/1076897871.db2.gz ZDLDQCQMFNTPBG-GOSISDBHSA-N 1 1 413.518 2.410 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)[C@@]3(C)Cc4ccccc4C(=O)O3)CC2)cc1 ZINC000742921749 1076897900 /nfs/dbraw/zinc/89/79/00/1076897900.db2.gz YVKWXKBZSIDAGS-XMMPIXPASA-N 1 1 423.513 2.105 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)CCn3cnc4ccccc43)CC2)cc1 ZINC000742927759 1076898510 /nfs/dbraw/zinc/89/85/10/1076898510.db2.gz ZEHHPPRSZRKUFR-UHFFFAOYSA-N 1 1 407.518 2.373 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)CCCNC(=O)c3ccccc3)CC2)cc1 ZINC000742927075 1076898650 /nfs/dbraw/zinc/89/86/50/1076898650.db2.gz HGQIBLBOVPCAFR-UHFFFAOYSA-N 1 1 424.545 2.144 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)N(CCO)Cc3ccccc3)CC2)cc1 ZINC000743358370 1077031616 /nfs/dbraw/zinc/03/16/16/1077031616.db2.gz JAYZHNHPMDGDDZ-UHFFFAOYSA-N 1 1 412.534 2.021 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)N3CCC4(C3)CCOCC4)CC2)cc1 ZINC000743566893 1077073992 /nfs/dbraw/zinc/07/39/92/1077073992.db2.gz KWEHTJJOSYDCQK-UHFFFAOYSA-N 1 1 402.539 2.029 20 10 HECDMO NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)NCC[NH+]3Cc4ccccc4C3)cc2)C1 ZINC000744305472 1077366584 /nfs/dbraw/zinc/36/65/84/1077366584.db2.gz UCUQOUIGARGOFD-OAQYLSRUSA-N 1 1 421.545 2.203 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)Nc3ccnc(C)c3Cl)CC2)cc1 ZINC000771769625 1079524356 /nfs/dbraw/zinc/52/43/56/1079524356.db2.gz UQZLCBDHKYEWAO-UHFFFAOYSA-N 1 1 403.914 2.418 20 10 HECDMO CN1CCN(c2ccc(C[NH2+][C@@H]3CN(Cc4ccccc4)CC[C@@H]3CO)cc2)CC1 ZINC000771841812 1079533021 /nfs/dbraw/zinc/53/30/21/1079533021.db2.gz LPSAJVTYXNGCHD-ILBGXUMGSA-N 1 1 408.590 2.411 20 10 HECDMO CCOC(=O)c1cnn2c1[nH]c(C[NH+]1CCC([C@@](C)(O)C(F)(F)F)CC1)cc2=O ZINC000767897555 1080219921 /nfs/dbraw/zinc/21/99/21/1080219921.db2.gz PBVUIHHVUVVXCE-QGZVFWFLSA-N 1 1 416.400 2.137 20 10 HECDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NCc2cc(=O)c(O)cn2C)C1 ZINC000768020575 1080286619 /nfs/dbraw/zinc/28/66/19/1080286619.db2.gz OTMMZMFGVVPKCN-UHFFFAOYSA-N 1 1 408.502 2.129 20 10 HECDMO OC[C@@H](c1ccc(Cl)cc1)N1CC[NH+](Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000768445012 1080564077 /nfs/dbraw/zinc/56/40/77/1080564077.db2.gz DZGMCDDPYFWJJB-AZUAARDMSA-N 1 1 404.894 2.323 20 10 HECDMO COc1cc(O)c(C[NH+]2CCN(CC(=O)Nc3ccccc3F)CC2)cc1OC ZINC000768465384 1080585773 /nfs/dbraw/zinc/58/57/73/1080585773.db2.gz KINXWFUKZRBBOJ-UHFFFAOYSA-N 1 1 403.454 2.305 20 10 HECDMO O=C(CCn1cc([N+](=O)[O-])cn1)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000768913767 1080853662 /nfs/dbraw/zinc/85/36/62/1080853662.db2.gz AOGGRIJUPGLADA-HNNXBMFYSA-N 1 1 407.858 2.321 20 10 HECDMO COc1ccc(N2CCN(C(=O)COC(=O)[C@@H]3CCC[N@H+]3C3CCCC3)CC2)cc1 ZINC000786884433 1080885679 /nfs/dbraw/zinc/88/56/79/1080885679.db2.gz PPXGVSAUGGJPGQ-NRFANRHFSA-N 1 1 415.534 2.294 20 10 HECDMO C[C@@H]1C[C@@H](N(C)C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CC[N@H+]1C ZINC000745692042 1078587771 /nfs/dbraw/zinc/58/77/71/1078587771.db2.gz QWVJHNLQTFLZRC-POAQFYNOSA-N 1 1 401.555 2.012 20 10 HECDMO CCN1CCN(c2ccc(CNC(=O)N3CC[C@H]([NH+]4CC=CC4)C3)cc2F)CC1 ZINC000745809059 1078656261 /nfs/dbraw/zinc/65/62/61/1078656261.db2.gz OZNGKVNBVXJTKQ-IBGZPJMESA-N 1 1 401.530 2.123 20 10 HECDMO CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CCCN(c3ccc(OC)cc3)CC2)CC1 ZINC000745861705 1078677029 /nfs/dbraw/zinc/67/70/29/1078677029.db2.gz DTHJEJKXNSJIIJ-HXUWFJFHSA-N 1 1 417.598 2.191 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)N[C@@H]3CCc4cc(O)ccc4C3)CC2)cc1 ZINC000770424160 1078846916 /nfs/dbraw/zinc/84/69/16/1078846916.db2.gz HTQAXXNSXOJMLW-HXUWFJFHSA-N 1 1 424.545 2.380 20 10 HECDMO Cc1ccc(C(=O)Nc2ccc(F)c(NC(=O)CC[NH+]3CCOCC3)c2)c(O)c1O ZINC000770478293 1078875788 /nfs/dbraw/zinc/87/57/88/1078875788.db2.gz WRFORYONMBUIAW-UHFFFAOYSA-N 1 1 417.437 2.458 20 10 HECDMO CC[C@@H](NC(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1)C1CCOCC1 ZINC000746414920 1078912888 /nfs/dbraw/zinc/91/28/88/1078912888.db2.gz WEPHLHXOARTWBO-OAQYLSRUSA-N 1 1 404.555 2.322 20 10 HECDMO C[C@@H]1CN(c2ccc(CNC(=O)C[NH2+][C@H](CO)c3ccsc3)cc2F)C[C@@H](C)O1 ZINC000770690706 1078960330 /nfs/dbraw/zinc/96/03/30/1078960330.db2.gz YLNVGIQENZVSJH-SPYBWZPUSA-N 1 1 421.538 2.440 20 10 HECDMO O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000804279962 1079000455 /nfs/dbraw/zinc/00/04/55/1079000455.db2.gz VWPUODQVHOVZHX-QFIPXVFZSA-N 1 1 418.541 2.317 20 10 HECDMO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000804277505 1079008004 /nfs/dbraw/zinc/00/80/04/1079008004.db2.gz DIDWVNQEODWFKV-FQEVSTJZSA-N 1 1 408.546 2.316 20 10 HECDMO COc1ccc(N2CCN(C(=O)Cc3noc(C[NH+]4[C@@H](C)CC[C@@H]4C)n3)CC2)cc1 ZINC000771055613 1079116593 /nfs/dbraw/zinc/11/65/93/1079116593.db2.gz HBGOQWPEJHXQES-IRXDYDNUSA-N 1 1 413.522 2.342 20 10 HECDMO O=C(CCCN1C(=O)CCC1=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000771055593 1079116627 /nfs/dbraw/zinc/11/66/27/1079116627.db2.gz ZPOXINQRYHXRHF-MRXNPFEDSA-N 1 1 407.898 2.055 20 10 HECDMO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC2CCN(c3ccc(OC)cc3)CC2)C[C@@H]1C ZINC000804318352 1079264636 /nfs/dbraw/zinc/26/46/36/1079264636.db2.gz IIZCRMRXSGUHKB-PXNSSMCTSA-N 1 1 416.566 2.111 20 10 HECDMO CCOC(=O)N1CCN(C(=O)C[N@@H+](C)Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000741712439 1076601692 /nfs/dbraw/zinc/60/16/92/1076601692.db2.gz VTWRIIALCYJTNL-UHFFFAOYSA-N 1 1 402.539 2.409 20 10 HECDMO Cc1ccc(NC(=O)CN(C)C(=O)C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000741735128 1076614096 /nfs/dbraw/zinc/61/40/96/1076614096.db2.gz HMSFGKXKXLSASB-UHFFFAOYSA-N 1 1 424.545 2.361 20 10 HECDMO Cc1ccc(NC(=O)CN(C)C(=O)C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000741735128 1076614103 /nfs/dbraw/zinc/61/41/03/1076614103.db2.gz HMSFGKXKXLSASB-UHFFFAOYSA-N 1 1 424.545 2.361 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)c3ccc(-n4cncn4)c(C)c3)CC2)cc1 ZINC000742057133 1076720291 /nfs/dbraw/zinc/72/02/91/1076720291.db2.gz JSSIFKOVEIHCEE-UHFFFAOYSA-N 1 1 420.517 2.136 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)c3ccc(-n4cncn4)cc3C)CC2)cc1 ZINC000742056712 1076720495 /nfs/dbraw/zinc/72/04/95/1076720495.db2.gz ABOQSHXBCOIKBP-UHFFFAOYSA-N 1 1 420.517 2.136 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)C3=NO[C@@H](c4ccccc4)C3)CC2)cc1 ZINC000742916167 1076897227 /nfs/dbraw/zinc/89/72/27/1076897227.db2.gz DJQVQQZVKFUCGK-JOCHJYFZSA-N 1 1 408.502 2.451 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)[C@]3(C)Cc4ccccc4C(=O)O3)CC2)cc1 ZINC000742921747 1076897887 /nfs/dbraw/zinc/89/78/87/1076897887.db2.gz YVKWXKBZSIDAGS-DEOSSOPVSA-N 1 1 423.513 2.105 20 10 HECDMO CCCC(=O)N1CCCC[C@@H]1C(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000742948486 1076899464 /nfs/dbraw/zinc/89/94/64/1076899464.db2.gz ULJLVYIWZLQJNO-OAQYLSRUSA-N 1 1 416.566 2.115 20 10 HECDMO COc1ccc(N2CCN(CCNC(=O)NC[C@@H](C)[N@H+]3CCC[C@H](C)C3)CC2)cc1 ZINC000743362544 1077032501 /nfs/dbraw/zinc/03/25/01/1077032501.db2.gz FOMRLECFUSJLGN-VQTJNVASSA-N 1 1 417.598 2.237 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)NCc3ccc(O)c(OC)c3)CC2)cc1 ZINC000743363559 1077033061 /nfs/dbraw/zinc/03/30/61/1077033061.db2.gz UCOYIMJVUYXAOF-UHFFFAOYSA-N 1 1 414.506 2.031 20 10 HECDMO CN(C)c1ccc(C[N@H+](CC(=O)Nc2cc(-n3cnnn3)ccc2F)C2CC2)cc1 ZINC000771791666 1079509530 /nfs/dbraw/zinc/50/95/30/1079509530.db2.gz QMEYZYZSELHJRK-UHFFFAOYSA-N 1 1 409.469 2.471 20 10 HECDMO CN(C)c1ccc(C[N@@H+](CC(=O)Nc2cc(-n3cnnn3)ccc2F)C2CC2)cc1 ZINC000771791666 1079509538 /nfs/dbraw/zinc/50/95/38/1079509538.db2.gz QMEYZYZSELHJRK-UHFFFAOYSA-N 1 1 409.469 2.471 20 10 HECDMO C[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C[C@@H]1n1ccnc1 ZINC000767432034 1079860453 /nfs/dbraw/zinc/86/04/53/1079860453.db2.gz DSDUQNUQYQJJIS-UTKZUKDTSA-N 1 1 415.513 2.058 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)N(C)C3CCC(CO)CC3)CC2)cc1 ZINC000772602362 1080003133 /nfs/dbraw/zinc/00/31/33/1080003133.db2.gz MJHHQLCQAROWOM-UHFFFAOYSA-N 1 1 404.555 2.010 20 10 HECDMO CCOc1ccc(C[N@@H+]2CCCN(S(=O)(=O)c3c(C)noc3C)CC2)c(O)c1 ZINC000768215892 1080417900 /nfs/dbraw/zinc/41/79/00/1080417900.db2.gz OETYLLWWBZUQLQ-UHFFFAOYSA-N 1 1 409.508 2.292 20 10 HECDMO CCOc1ccc(C[N@H+]2CCCN(S(=O)(=O)c3c(C)noc3C)CC2)c(O)c1 ZINC000768215892 1080417914 /nfs/dbraw/zinc/41/79/14/1080417914.db2.gz OETYLLWWBZUQLQ-UHFFFAOYSA-N 1 1 409.508 2.292 20 10 HECDMO Nc1nc(CN2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)nc2ccccc12 ZINC000768218053 1080422495 /nfs/dbraw/zinc/42/24/95/1080422495.db2.gz XDFFZLQSJZHVOZ-UHFFFAOYSA-N 1 1 418.545 2.366 20 10 HECDMO COC(OC)c1c(C[N@H+]2CC[C@H](CO)C2)ccnc1NCc1ccc(O)c(O)c1 ZINC001169990185 1080438099 /nfs/dbraw/zinc/43/80/99/1080438099.db2.gz BSBMIJHGFULJKD-HNNXBMFYSA-N 1 1 403.479 2.211 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)N3CC[C@H](C(C)(C)C)[C@H](O)C3)CC2)cc1 ZINC000768292948 1080463730 /nfs/dbraw/zinc/46/37/30/1080463730.db2.gz DTRTYHZCKKJBFZ-LEWJYISDSA-N 1 1 418.582 2.256 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)N3CC[C@H](C(C)(C)C)[C@@H](O)C3)CC2)cc1 ZINC000768292962 1080463817 /nfs/dbraw/zinc/46/38/17/1080463817.db2.gz DTRTYHZCKKJBFZ-SFTDATJTSA-N 1 1 418.582 2.256 20 10 HECDMO COc1cc(O)c(C[NH+]2CCN(CC(=O)N3CCc4ccccc43)CC2)cc1OC ZINC000768439947 1080560286 /nfs/dbraw/zinc/56/02/86/1080560286.db2.gz QMXHYGYBPHSVOM-UHFFFAOYSA-N 1 1 411.502 2.116 20 10 HECDMO COc1cc(O)c(C[NH+]2CCN(CC(=O)NC3CCC(C)CC3)CC2)cc1OC ZINC000768451098 1080567424 /nfs/dbraw/zinc/56/74/24/1080567424.db2.gz LZVMRXWULDGPBA-UHFFFAOYSA-N 1 1 405.539 2.222 20 10 HECDMO COc1ccccc1NC(=O)CN1CC[NH+](Cc2cc(OC)c(OC)cc2O)CC1 ZINC000768461810 1080583070 /nfs/dbraw/zinc/58/30/70/1080583070.db2.gz FOZMJMWUASIMMT-UHFFFAOYSA-N 1 1 415.490 2.174 20 10 HECDMO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768465305 1080585644 /nfs/dbraw/zinc/58/56/44/1080585644.db2.gz GFNAUEDECQQLQM-MLGOLLRUSA-N 1 1 402.413 2.441 20 10 HECDMO O=C(COc1ccc(F)cc1)N1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000768467706 1080586663 /nfs/dbraw/zinc/58/66/63/1080586663.db2.gz IFMDCSBDYDJZTA-UHFFFAOYSA-N 1 1 413.493 2.386 20 10 HECDMO COc1ccc(N2CC[NH+](CCNc3ccc4nnc(C(F)F)n4n3)CC2)cc1 ZINC000768527332 1080611356 /nfs/dbraw/zinc/61/13/56/1080611356.db2.gz XCLHVQLDOLGVOG-UHFFFAOYSA-N 1 1 403.437 2.305 20 10 HECDMO 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 1080754169 /nfs/dbraw/zinc/75/41/69/1080754169.db2.gz FWEYXHITBMUPRI-XWTMOSNGSA-N 1 1 406.546 2.080 20 10 HECDMO 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 1080754294 /nfs/dbraw/zinc/75/42/94/1080754294.db2.gz FWEYXHITBMUPRI-XLAORIBOSA-N 1 1 406.546 2.080 20 10 HECDMO NC(=O)COc1cccc(C(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)c1 ZINC000768910865 1080850843 /nfs/dbraw/zinc/85/08/43/1080850843.db2.gz APUICEIBMSKWQK-KRWDZBQOSA-N 1 1 417.893 2.304 20 10 HECDMO O=C(CNC(=O)OCC(F)(F)F)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000768911887 1080852448 /nfs/dbraw/zinc/85/24/48/1080852448.db2.gz JJHULQAIMZGSJW-CYBMUJFWSA-N 1 1 423.819 2.415 20 10 HECDMO O=C(N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)c1ccnc(-n2cncn2)c1 ZINC000768913179 1080853125 /nfs/dbraw/zinc/85/31/25/1080853125.db2.gz VXUJRQBGOJHTLT-QGZVFWFLSA-N 1 1 412.881 2.416 20 10 HECDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C1 ZINC000745690317 1078601438 /nfs/dbraw/zinc/60/14/38/1078601438.db2.gz ASPGZCWXAFGXIQ-UXHICEINSA-N 1 1 415.582 2.262 20 10 HECDMO COCCCS(=O)(=O)N1CC[NH+](Cc2c(O)ccc3ccc(OC)cc32)CC1 ZINC000769843972 1078604263 /nfs/dbraw/zinc/60/42/63/1078604263.db2.gz BPKLVCANIWHJJA-UHFFFAOYSA-N 1 1 408.520 2.038 20 10 HECDMO CCO[C@@H]1C[C@@H](NC(=O)NCC[NH+]2CCN(c3ccc(OC)cc3)CC2)C12CCC2 ZINC000745783924 1078642049 /nfs/dbraw/zinc/64/20/49/1078642049.db2.gz ICKQMMLLVPWRNQ-NHCUHLMSSA-N 1 1 416.566 2.464 20 10 HECDMO COc1ccc(N2CCN(CCNC(=O)N(C)CC[C@@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000745784012 1078642505 /nfs/dbraw/zinc/64/25/05/1078642505.db2.gz KSGBTAACKNJOQU-FQEVSTJZSA-N 1 1 417.598 2.333 20 10 HECDMO CCN1CCN(c2ccc(CNC(=O)N3CC[C@@H]([NH+]4CC=CC4)C3)cc2F)CC1 ZINC000745809060 1078656402 /nfs/dbraw/zinc/65/64/02/1078656402.db2.gz OZNGKVNBVXJTKQ-LJQANCHMSA-N 1 1 401.530 2.123 20 10 HECDMO COc1ccc(N2CCN(C(=O)CN3CC[C@H]4CC[C@@H](C3)[N@H+]4C(C)C)CC2)cc1 ZINC000745948613 1078705721 /nfs/dbraw/zinc/70/57/21/1078705721.db2.gz MPTDEKQRWVJDKX-RTWAWAEBSA-N 1 1 400.567 2.291 20 10 HECDMO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1)cc2=O ZINC000745986949 1078720283 /nfs/dbraw/zinc/72/02/83/1078720283.db2.gz UNXWEOVMMOCSPZ-CQSZACIVSA-N 1 1 419.482 2.053 20 10 HECDMO CC[N@H+]1CC[C@H](N(C)C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)[C@@H](C)C1 ZINC000746317101 1078855997 /nfs/dbraw/zinc/85/59/97/1078855997.db2.gz OFJWZSCLTWCMRO-CUWPLCDZSA-N 1 1 415.582 2.260 20 10 HECDMO COc1ccc(N2CCN(C[C@@H](O)C[N@H+]3CC[C@@]4(C3)OCc3ccccc34)CC2)cc1 ZINC000770687809 1078957138 /nfs/dbraw/zinc/95/71/38/1078957138.db2.gz DYAWPULIRWLTFV-RDGATRHJSA-N 1 1 423.557 2.310 20 10 HECDMO CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000771135715 1079187189 /nfs/dbraw/zinc/18/71/89/1079187189.db2.gz JBMFLLKOVRBCFR-LJQANCHMSA-N 1 1 420.554 2.237 20 10 HECDMO COc1ccc(N2CCC(NC(=O)C(=O)NC[C@@H](C)[N@H+]3CCC[C@@H](C)C3)CC2)cc1 ZINC000804318272 1079235882 /nfs/dbraw/zinc/23/58/82/1079235882.db2.gz GCFHGMYNSBBOGI-QZTJIDSGSA-N 1 1 416.566 2.017 20 10 HECDMO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NC2CCN(c3ccc(OC)cc3)CC2)C[C@H]1C ZINC000804318354 1079264454 /nfs/dbraw/zinc/26/44/54/1079264454.db2.gz IIZCRMRXSGUHKB-YLJYHZDGSA-N 1 1 416.566 2.111 20 10 HECDMO C[C@@H]1CN(c2ccc(CNC(=O)CN3CC[N@@H+](C)[C@H](C)[C@@H]3C)cc2F)C[C@@H](C)O1 ZINC000771457712 1079332488 /nfs/dbraw/zinc/33/24/88/1079332488.db2.gz ASUJHSUQBOUGNM-TVFCKZIOSA-N 1 1 406.546 2.080 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)NCc3ccn(C(C)C)n3)CC2)cc1 ZINC000738461788 1076003494 /nfs/dbraw/zinc/00/34/94/1076003494.db2.gz PMTHWHQBFNOXAL-UHFFFAOYSA-N 1 1 400.527 2.094 20 10 HECDMO CC[N@@H+]1C[C@H](C)N(C(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)C[C@H]1C ZINC000766245143 1076121460 /nfs/dbraw/zinc/12/14/60/1076121460.db2.gz YVVQKBSDYATAGG-UXHICEINSA-N 1 1 417.598 2.331 20 10 HECDMO CC[N@H+]1C[C@H](C)N(C(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)C[C@H]1C ZINC000766245143 1076121462 /nfs/dbraw/zinc/12/14/62/1076121462.db2.gz YVVQKBSDYATAGG-UXHICEINSA-N 1 1 417.598 2.331 20 10 HECDMO C[N@@H+](CC(=O)NC(=O)NCc1cccs1)Cc1ccc(N2CCOCC2)cc1 ZINC000741737364 1076615277 /nfs/dbraw/zinc/61/52/77/1076615277.db2.gz YPPNAUGMTRNCOL-UHFFFAOYSA-N 1 1 402.520 2.043 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)C[C@@H](C)NC(=O)OC(C)(C)C)CC2)cc1 ZINC000742590755 1076853862 /nfs/dbraw/zinc/85/38/62/1076853862.db2.gz MKVNBUUCIHNNAZ-QGZVFWFLSA-N 1 1 420.554 2.237 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)COc3cccc(C(C)=O)c3)CC2)cc1 ZINC000742911496 1076891131 /nfs/dbraw/zinc/89/11/31/1076891131.db2.gz ZDDXWFUOXDJFCN-UHFFFAOYSA-N 1 1 411.502 2.215 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)NCCOc3cccc(F)c3)CC2)cc1 ZINC000742940816 1076896718 /nfs/dbraw/zinc/89/67/18/1076896718.db2.gz YWLLGBMZUUKUDV-UHFFFAOYSA-N 1 1 416.497 2.335 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)Cn3nc(C)c(Cl)c3C)CC2)cc1 ZINC000742920461 1076897762 /nfs/dbraw/zinc/89/77/62/1076897762.db2.gz QGJZDHYMPLFJCK-UHFFFAOYSA-N 1 1 405.930 2.100 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)c3c(C)nn4c3nc(C)cc4C)CC2)cc1 ZINC000742921096 1076898000 /nfs/dbraw/zinc/89/80/00/1076898000.db2.gz XIEURNPEDQRLDN-UHFFFAOYSA-N 1 1 422.533 2.215 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)c3ccc(C(F)(F)F)[nH]c3=O)CC2)cc1 ZINC000742921139 1076898025 /nfs/dbraw/zinc/89/80/25/1076898025.db2.gz OPKJXBWSTVQSBZ-UHFFFAOYSA-N 1 1 424.423 2.367 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)c3cc(C)nc4onc(C)c43)CC2)cc1 ZINC000742921566 1076898055 /nfs/dbraw/zinc/89/80/55/1076898055.db2.gz UBSNZCHMGOTXAV-UHFFFAOYSA-N 1 1 409.490 2.400 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)CCc3nc4ccccc4[nH]3)CC2)cc1 ZINC000742927753 1076898520 /nfs/dbraw/zinc/89/85/20/1076898520.db2.gz YUBLJIPAUNHJGL-UHFFFAOYSA-N 1 1 407.518 2.443 20 10 HECDMO CCN1CCN(c2ccc(CNC(=O)Nc3ccn(CC[NH+](C)C)n3)cc2F)CC1 ZINC000743204296 1076995993 /nfs/dbraw/zinc/99/59/93/1076995993.db2.gz OGUDYFHSAHMHCP-UHFFFAOYSA-N 1 1 417.533 2.047 20 10 HECDMO CCN1CCN(c2ccc(CNC(=O)[C@@H]([NH2+]C3CCOCC3)C(C)C)cc2F)CC1 ZINC000743338807 1077030376 /nfs/dbraw/zinc/03/03/76/1077030376.db2.gz GMNUOKIDDXIFQX-QFIPXVFZSA-N 1 1 420.573 2.377 20 10 HECDMO COc1ccc(N2CCN(CCNC(=O)NCCCCn3cc[nH+]c3C)CC2)cc1 ZINC000743567144 1077073794 /nfs/dbraw/zinc/07/37/94/1077073794.db2.gz MPSAFLOXWOWWIB-UHFFFAOYSA-N 1 1 414.554 2.102 20 10 HECDMO Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)NCc2c(O)ccc3c2CCCC3)cn1 ZINC000743954938 1077263957 /nfs/dbraw/zinc/26/39/57/1077263957.db2.gz DKWUZRCMEPWECE-UHFFFAOYSA-N 1 1 405.458 2.415 20 10 HECDMO CCN(CC)c1ccc(CNC(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)cc1F ZINC000766974439 1079570484 /nfs/dbraw/zinc/57/04/84/1079570484.db2.gz UTKREJUYGBRSCC-FQEVSTJZSA-N 1 1 419.545 2.120 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)N[C@H]3CCO[C@H](C(C)C)C3)CC2)cc1 ZINC000771953565 1079600264 /nfs/dbraw/zinc/60/02/64/1079600264.db2.gz QQWZUWRAVKPVGC-RXVVDRJESA-N 1 1 404.555 2.320 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)[C@@H](O)Cc3ccccc3Cl)CC2)cc1 ZINC000772509934 1079906805 /nfs/dbraw/zinc/90/68/05/1079906805.db2.gz MJGPYMRVXWNHPW-NRFANRHFSA-N 1 1 417.937 2.190 20 10 HECDMO Cc1nn(C)c(N2CCOCC2)c1C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000768161487 1080378772 /nfs/dbraw/zinc/37/87/72/1080378772.db2.gz FTJIWSUROGRKGH-IBGZPJMESA-N 1 1 400.523 2.452 20 10 HECDMO Cc1nc2cc(C)ccn2c1CN1CC[NH+](Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000768442008 1080562360 /nfs/dbraw/zinc/56/23/60/1080562360.db2.gz NFAJDWGJOWMREN-NRFANRHFSA-N 1 1 408.502 2.400 20 10 HECDMO CCOC(=O)c1cnc(N2CC[NH+](Cc3cc(OC)c(OC)cc3O)CC2)s1 ZINC000768466722 1080586162 /nfs/dbraw/zinc/58/61/62/1080586162.db2.gz VKIYOGJMHLHYNU-UHFFFAOYSA-N 1 1 407.492 2.365 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)Nc3cccc(-n4ccnn4)c3)CC2)cc1 ZINC000769017032 1080899632 /nfs/dbraw/zinc/89/96/32/1080899632.db2.gz OPNDTYHODFYIBF-UHFFFAOYSA-N 1 1 421.505 2.220 20 10 HECDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000787003583 1080917480 /nfs/dbraw/zinc/91/74/80/1080917480.db2.gz YUTLGKAQTMVPOL-KRWDZBQOSA-N 1 1 420.529 2.057 20 10 HECDMO COc1cccc(O)c1C[N@H+]1CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 ZINC000769192034 1080964891 /nfs/dbraw/zinc/96/48/91/1080964891.db2.gz GTWUFOUGINDXHG-OAHLLOKOSA-N 1 1 407.511 2.254 20 10 HECDMO CCOc1ccc(C[NH+]2CCN(c3ccccc3S(=O)(=O)NC)CC2)c(O)c1 ZINC000769315767 1081039875 /nfs/dbraw/zinc/03/98/75/1081039875.db2.gz DYZAXGWJZYZQCI-UHFFFAOYSA-N 1 1 405.520 2.021 20 10 HECDMO CCOC(=O)c1cnc(N2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)s1 ZINC000769507113 1081100103 /nfs/dbraw/zinc/10/01/03/1081100103.db2.gz KUNSOXUGIZLDID-UHFFFAOYSA-N 1 1 416.547 2.479 20 10 HECDMO COc1ccc(N2CCN(C[C@H](O)C[N@H+]3CC[C@@H](CC(F)(F)F)C3)CC2)cc1 ZINC000769867525 1078588180 /nfs/dbraw/zinc/58/81/80/1078588180.db2.gz XZMMFGCFZFSHGH-WMZOPIPTSA-N 1 1 401.473 2.452 20 10 HECDMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)CC1 ZINC000745778543 1078638698 /nfs/dbraw/zinc/63/86/98/1078638698.db2.gz DIMPXHXVASKAHW-VQTJNVASSA-N 1 1 417.598 2.157 20 10 HECDMO C[C@@H](NC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1)c1ccc(N2CCOCC2)cc1 ZINC000745781157 1078640311 /nfs/dbraw/zinc/64/03/11/1078640311.db2.gz XRLRTFFJTSTWEX-DENIHFKCSA-N 1 1 416.566 2.481 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)N[C@H]3C[C@@](C)(OC)C3(C)C)CC2)cc1 ZINC000745784567 1078642074 /nfs/dbraw/zinc/64/20/74/1078642074.db2.gz XXCPYXOBISZWEV-SIKLNZKXSA-N 1 1 404.555 2.320 20 10 HECDMO CCC[N@@H+](C)CC(=O)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S ZINC000746172889 1078810011 /nfs/dbraw/zinc/81/00/11/1078810011.db2.gz NWNRUWFIBUBHAO-YBEGLDIGSA-N 1 1 421.544 2.075 20 10 HECDMO O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000746280271 1078843513 /nfs/dbraw/zinc/84/35/13/1078843513.db2.gz OMNDAZKWUQUVGP-VWLOTQADSA-N 1 1 423.557 2.149 20 10 HECDMO CC[N@H+]1CC[C@@H](N(C)C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)[C@H](C)C1 ZINC000746313630 1078853739 /nfs/dbraw/zinc/85/37/39/1078853739.db2.gz GFMUHEPLGNVLRL-DENIHFKCSA-N 1 1 417.598 2.189 20 10 HECDMO CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000770436485 1078854221 /nfs/dbraw/zinc/85/42/21/1078854221.db2.gz VWQSOPYBRLIXCY-LRDDRELGSA-N 1 1 400.317 2.405 20 10 HECDMO CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000770436485 1078854227 /nfs/dbraw/zinc/85/42/27/1078854227.db2.gz VWQSOPYBRLIXCY-LRDDRELGSA-N 1 1 400.317 2.405 20 10 HECDMO O=C(N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000770627961 1078921736 /nfs/dbraw/zinc/92/17/36/1078921736.db2.gz CRZMFTKEUVTVIL-AWEZNQCLSA-N 1 1 406.826 2.449 20 10 HECDMO C[N@H+]1CCC[C@@H]2CN(C(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)CC[C@H]21 ZINC000766880258 1079474983 /nfs/dbraw/zinc/47/49/83/1079474983.db2.gz KYPIOZASHYSTEN-SVFBPWRDSA-N 1 1 413.566 2.014 20 10 HECDMO COCCCNC(=O)[C@@H](C)N1CC[NH+](Cc2cc(C(C)(C)C)cc(O)c2O)CC1 ZINC000738169293 1075972359 /nfs/dbraw/zinc/97/23/59/1075972359.db2.gz HVFVJDXTOOSEJJ-MRXNPFEDSA-N 1 1 407.555 2.054 20 10 HECDMO CC[N@H+]1C[C@H](C)N(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C[C@@H]1C ZINC000766250375 1076151118 /nfs/dbraw/zinc/15/11/18/1076151118.db2.gz LCMOJYGIYWONEM-JENIJYKNSA-N 1 1 401.555 2.012 20 10 HECDMO CCO[C@H]1C[C@H]([N@@H+](C)CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1(C)C ZINC000740887207 1076286105 /nfs/dbraw/zinc/28/61/05/1076286105.db2.gz QUHDUZXCFPRESF-PMACEKPBSA-N 1 1 407.530 2.414 20 10 HECDMO O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)NCc1ccc(N2CC=CC2)cc1 ZINC000740911184 1076302797 /nfs/dbraw/zinc/30/27/97/1076302797.db2.gz DJZBEOVNQAUHOW-UHFFFAOYSA-N 1 1 420.561 2.469 20 10 HECDMO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000740919741 1076305068 /nfs/dbraw/zinc/30/50/68/1076305068.db2.gz KWYJYEHMEINKSN-UHFFFAOYSA-N 1 1 413.566 2.149 20 10 HECDMO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000740919741 1076305069 /nfs/dbraw/zinc/30/50/69/1076305069.db2.gz KWYJYEHMEINKSN-UHFFFAOYSA-N 1 1 413.566 2.149 20 10 HECDMO O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000741411372 1076514207 /nfs/dbraw/zinc/51/42/07/1076514207.db2.gz LPLWYTINYBPJTE-XMMPIXPASA-N 1 1 406.530 2.499 20 10 HECDMO CCc1ccccc1NC(=O)CNC(=O)C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000741735812 1076615168 /nfs/dbraw/zinc/61/51/68/1076615168.db2.gz MXKXMKAFHQBRBB-UHFFFAOYSA-N 1 1 424.545 2.272 20 10 HECDMO CCc1ccccc1NC(=O)CNC(=O)C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000741735812 1076615173 /nfs/dbraw/zinc/61/51/73/1076615173.db2.gz MXKXMKAFHQBRBB-UHFFFAOYSA-N 1 1 424.545 2.272 20 10 HECDMO CCNC(=O)c1cccc(NC(=O)C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC000741735825 1076615209 /nfs/dbraw/zinc/61/52/09/1076615209.db2.gz NFYOANYMLDLZEO-UHFFFAOYSA-N 1 1 410.518 2.343 20 10 HECDMO CCNC(=O)c1cccc(NC(=O)C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC000741735825 1076615214 /nfs/dbraw/zinc/61/52/14/1076615214.db2.gz NFYOANYMLDLZEO-UHFFFAOYSA-N 1 1 410.518 2.343 20 10 HECDMO CS(=O)(=O)Nc1ccc(O)c(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000742830150 1076887314 /nfs/dbraw/zinc/88/73/14/1076887314.db2.gz FHKRKAZMSWSBJA-KRWDZBQOSA-N 1 1 417.531 2.406 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)NCc3cn4cc(C)ccc4n3)CC2)cc1 ZINC000742940026 1076896683 /nfs/dbraw/zinc/89/66/83/1076896683.db2.gz PKHXXAYIOJDCIB-UHFFFAOYSA-N 1 1 422.533 2.273 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)c3ccc(N4CCCC4=O)cc3)CC2)cc1 ZINC000742916488 1076897089 /nfs/dbraw/zinc/89/70/89/1076897089.db2.gz JOSNGHNERZWKGG-UHFFFAOYSA-N 1 1 422.529 2.374 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)N[C@H]3COc4ccccc4C3)CC2)cc1 ZINC000742928271 1076898687 /nfs/dbraw/zinc/89/86/87/1076898687.db2.gz JYSPIJKPNBBDOP-LJQANCHMSA-N 1 1 410.518 2.120 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)Nc3nnc(C(F)F)s3)CC2)cc1 ZINC000743315562 1077027536 /nfs/dbraw/zinc/02/75/36/1077027536.db2.gz XGQSZDOJGFDUOA-UHFFFAOYSA-N 1 1 412.466 2.428 20 10 HECDMO COc1ccc(N2CCN(CCNC(=O)NC[C@H](C)[N@H+]3CCC[C@H](C)C3)CC2)cc1 ZINC000743362541 1077032685 /nfs/dbraw/zinc/03/26/85/1077032685.db2.gz FOMRLECFUSJLGN-PMACEKPBSA-N 1 1 417.598 2.237 20 10 HECDMO COc1ccc2ccc(O)c(C[NH+]3CCN(S(=O)(=O)Cc4ccon4)CC3)c2c1 ZINC000743379779 1077045644 /nfs/dbraw/zinc/04/56/44/1077045644.db2.gz CKJJHDBHOKZXKI-UHFFFAOYSA-N 1 1 417.487 2.190 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)NC[C@@]3(C)CCO[C@@H]3C3CC3)CC2)cc1 ZINC000767325757 1079820411 /nfs/dbraw/zinc/82/04/11/1079820411.db2.gz YGSRGWYNIRVHFL-FYYLOGMGSA-N 1 1 416.566 2.322 20 10 HECDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCC[C@H](C(C)(C)C(=O)OC)C1)cc2=O ZINC000772369379 1079850739 /nfs/dbraw/zinc/85/07/39/1079850739.db2.gz FTWROJMIZGHAJG-ZDUSSCGKSA-N 1 1 404.467 2.023 20 10 HECDMO CCN(CCS(C)(=O)=O)C(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000767969489 1080240731 /nfs/dbraw/zinc/24/07/31/1080240731.db2.gz MDQFFOKHSCZKBI-UHFFFAOYSA-N 1 1 405.564 2.301 20 10 HECDMO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCC[C@H](Oc3ncccc3F)C1)cc2=O ZINC000785837108 1080265769 /nfs/dbraw/zinc/26/57/69/1080265769.db2.gz FJJYQWALMMXWBD-AWEZNQCLSA-N 1 1 415.425 2.189 20 10 HECDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCC[C@H](Oc3ncccc3F)C1)cc2=O ZINC000785837108 1080265774 /nfs/dbraw/zinc/26/57/74/1080265774.db2.gz FJJYQWALMMXWBD-AWEZNQCLSA-N 1 1 415.425 2.189 20 10 HECDMO COc1cc(O)c(C[NH+]2CCN(CC(=O)Nc3ccc(F)cc3)CC2)cc1OC ZINC000768442601 1080563532 /nfs/dbraw/zinc/56/35/32/1080563532.db2.gz USWFGYFFLUKNBK-UHFFFAOYSA-N 1 1 403.454 2.305 20 10 HECDMO CCOC(=O)c1ccc(N2CCC[N@@H+](Cc3cc4c(cc3O)OC[C@H]4O)CC2)nc1 ZINC000768449697 1080567350 /nfs/dbraw/zinc/56/73/50/1080567350.db2.gz YNHOHMHTMPBCGA-LJQANCHMSA-N 1 1 413.474 2.102 20 10 HECDMO CCO[C@@H](C)c1noc(CN2CC[NH+](Cc3cc(OC)c(OC)cc3O)CC2)n1 ZINC000768464850 1080584913 /nfs/dbraw/zinc/58/49/13/1080584913.db2.gz BQGBJLMVVTWWSN-AWEZNQCLSA-N 1 1 406.483 2.208 20 10 HECDMO 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 1080754227 /nfs/dbraw/zinc/75/42/27/1080754227.db2.gz FWEYXHITBMUPRI-BSDSXHPESA-N 1 1 406.546 2.080 20 10 HECDMO CCOC(=O)c1cnn2c1[nH]c(COC(=O)CC[N@H+]1CCc3ccccc3C1)cc2=O ZINC000786818359 1080842458 /nfs/dbraw/zinc/84/24/58/1080842458.db2.gz TXKMHKUQDLQSDN-UHFFFAOYSA-N 1 1 424.457 2.103 20 10 HECDMO CCC(=O)N1CSC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000768914620 1080853742 /nfs/dbraw/zinc/85/37/42/1080853742.db2.gz FSCDBQVRVDAGTL-HZPDHXFCSA-N 1 1 411.955 2.438 20 10 HECDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000768914145 1080854253 /nfs/dbraw/zinc/85/42/53/1080854253.db2.gz CPXPBTUVCLWWMI-OAHLLOKOSA-N 1 1 407.858 2.240 20 10 HECDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)O[C@H](C)C(=O)N2CCOCC2)C1 ZINC000769664265 1078503264 /nfs/dbraw/zinc/50/32/64/1078503264.db2.gz CRDYXFLWUIEMHH-QGZVFWFLSA-N 1 1 413.518 2.198 20 10 HECDMO O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000745649489 1078575198 /nfs/dbraw/zinc/57/51/98/1078575198.db2.gz UWQIFPQVQJNNKO-LJQANCHMSA-N 1 1 420.529 2.059 20 10 HECDMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)CC1 ZINC000745778541 1078638673 /nfs/dbraw/zinc/63/86/73/1078638673.db2.gz DIMPXHXVASKAHW-PMACEKPBSA-N 1 1 417.598 2.157 20 10 HECDMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)CC1 ZINC000745863111 1078678310 /nfs/dbraw/zinc/67/83/10/1078678310.db2.gz RAIMKVRNNJGDRU-PZJWPPBQSA-N 1 1 418.582 2.356 20 10 HECDMO C[C@H](NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000770107067 1078731513 /nfs/dbraw/zinc/73/15/13/1078731513.db2.gz GRMLXPKJZVTTAZ-KBXCAEBGSA-N 1 1 412.481 2.275 20 10 HECDMO C[C@H](NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000770107067 1078731509 /nfs/dbraw/zinc/73/15/09/1078731509.db2.gz GRMLXPKJZVTTAZ-KBXCAEBGSA-N 1 1 412.481 2.275 20 10 HECDMO Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000771063990 1079122781 /nfs/dbraw/zinc/12/27/81/1079122781.db2.gz GJQIDOZZOCKCRE-OAHLLOKOSA-N 1 1 420.897 2.269 20 10 HECDMO COc1ccc(N2CCN(C(=O)Cc3noc(CCCn4cc[nH+]c4C)n3)CC2)cc1 ZINC000771067906 1079125021 /nfs/dbraw/zinc/12/50/21/1079125021.db2.gz PNFGUVNJHROLCL-UHFFFAOYSA-N 1 1 424.505 2.107 20 10 HECDMO COc1ccc(N2CCC(NC(=O)C(=O)N3CCC[N@H+](C(C)(C)C)CC3)CC2)cc1 ZINC000804319102 1079241930 /nfs/dbraw/zinc/24/19/30/1079241930.db2.gz YRUAYJNJIJMRTB-UHFFFAOYSA-N 1 1 416.566 2.113 20 10 HECDMO C[N@H+]1CCC[C@H]2CN(C(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)CC[C@@H]21 ZINC000766878937 1079473889 /nfs/dbraw/zinc/47/38/89/1079473889.db2.gz KRHXVYCQKGQYMJ-PXNSSMCTSA-N 1 1 404.530 2.413 20 10 HECDMO C[C@@H](CNC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)C[NH+]1CCOCC1 ZINC000738978690 1076028484 /nfs/dbraw/zinc/02/84/84/1076028484.db2.gz WMQVPVSHALNABM-OKZBNKHCSA-N 1 1 422.545 2.207 20 10 HECDMO Cc1cc(C(=O)CN2CC[NH+](C[C@H](C)O)CC2)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000739391973 1076057191 /nfs/dbraw/zinc/05/71/91/1076057191.db2.gz OLNKCEMRJRBEKE-KRWDZBQOSA-N 1 1 413.518 2.046 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)C[C@H]3OC(=O)c4ccccc43)CC2)cc1 ZINC000742916182 1076897194 /nfs/dbraw/zinc/89/71/94/1076897194.db2.gz DRNIADHFUSFFIF-OAQYLSRUSA-N 1 1 409.486 2.235 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)c3ccc(Cn4cccn4)cc3)CC2)cc1 ZINC000742921200 1076898041 /nfs/dbraw/zinc/89/80/41/1076898041.db2.gz PZPQPPUXRXRSDM-UHFFFAOYSA-N 1 1 419.529 2.492 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)NCCc3cn4ccccc4n3)CC2)cc1 ZINC000742948537 1076899450 /nfs/dbraw/zinc/89/94/50/1076899450.db2.gz XKQFAJVFIYTGPA-UHFFFAOYSA-N 1 1 422.533 2.007 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)NCc3ccc(OC)c(F)c3)CC2)cc1 ZINC000742948163 1076899589 /nfs/dbraw/zinc/89/95/89/1076899589.db2.gz NAZWWOGRCCTZRS-UHFFFAOYSA-N 1 1 416.497 2.464 20 10 HECDMO CCCc1nnc(NC(=O)NCC[NH+]2CCN(c3ccc(OC)cc3)CC2)s1 ZINC000743288153 1077025228 /nfs/dbraw/zinc/02/52/28/1077025228.db2.gz VGQAFVQUSBXWOQ-UHFFFAOYSA-N 1 1 404.540 2.443 20 10 HECDMO CCCNC(=O)C[NH+]1CCC(NC(=O)NCc2c(O)ccc3c2CCCC3)CC1 ZINC000743535003 1077064983 /nfs/dbraw/zinc/06/49/83/1077064983.db2.gz NBUOHOSAGLLWLJ-UHFFFAOYSA-N 1 1 402.539 2.061 20 10 HECDMO CC[N@@H+](Cc1cc(Br)ccc1O)[C@H](C)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000743874196 1077157629 /nfs/dbraw/zinc/15/76/29/1077157629.db2.gz VXLKBWXZWXGUSS-OLZOCXBDSA-N 1 1 412.328 2.089 20 10 HECDMO 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 1077386715 /nfs/dbraw/zinc/38/67/15/1077386715.db2.gz SHNKCZNCPVHHAU-NSHGMRRFSA-N 1 1 420.573 2.329 20 10 HECDMO CC[NH+](CC)[C@H]1CCN(C(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000745352399 1077808744 /nfs/dbraw/zinc/80/87/44/1077808744.db2.gz YKLKPZJOLDYWMR-NRFANRHFSA-N 1 1 417.598 2.333 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)c3ccc(N4CCOCC4)cc3)CC2)cc1 ZINC000746517051 1079562234 /nfs/dbraw/zinc/56/22/34/1079562234.db2.gz FYZHELOYXGHKCW-UHFFFAOYSA-N 1 1 424.545 2.084 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)NCCc3cnc(C)s3)CC2)cc1 ZINC000771972584 1079616729 /nfs/dbraw/zinc/61/67/29/1079616729.db2.gz VXRSRZUTLKWTIP-UHFFFAOYSA-N 1 1 403.552 2.124 20 10 HECDMO CCOC[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)C1 ZINC000747967957 1079898621 /nfs/dbraw/zinc/89/86/21/1079898621.db2.gz ZODYEULBUVLFLN-ZHALLVOQSA-N 1 1 407.530 2.414 20 10 HECDMO COC(=O)c1ccc(-n2c(C)cc(C(=O)C[N@H+](C[C@H](C)O)[C@@H](C)CO)c2C)cc1 ZINC000785537517 1080047293 /nfs/dbraw/zinc/04/72/93/1080047293.db2.gz 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COc1cccc(O)c1C[N@H+]1CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 ZINC000769192033 1080965079 /nfs/dbraw/zinc/96/50/79/1080965079.db2.gz GTWUFOUGINDXHG-HNNXBMFYSA-N 1 1 407.511 2.254 20 10 HECDMO COc1cc(N2CC[NH+](Cc3cc(-c4cnn(C)c4)no3)CC2)cc(OC)c1OC ZINC000769221457 1081006754 /nfs/dbraw/zinc/00/67/54/1081006754.db2.gz NQANXJIJZVSZGI-UHFFFAOYSA-N 1 1 413.478 2.423 20 10 HECDMO O=C(CN1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1)NC1CCCCC1 ZINC000769320485 1081041773 /nfs/dbraw/zinc/04/17/73/1081041773.db2.gz QUMGVOIHCGEMAT-UHFFFAOYSA-N 1 1 400.567 2.090 20 10 HECDMO CCO[C@H](C)c1noc(CN2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)n1 ZINC000769507032 1081100435 /nfs/dbraw/zinc/10/04/35/1081100435.db2.gz JTYYRLMVQFCCMR-GOSISDBHSA-N 1 1 415.538 2.322 20 10 HECDMO COc1cc(OC)cc(N2CC[C@@H]([N@H+](C)Cc3cc4c(cc3O)OCO4)C2=O)c1 ZINC000769534663 1081113367 /nfs/dbraw/zinc/11/33/67/1081113367.db2.gz YBTUNZMSFCRPIF-QGZVFWFLSA-N 1 1 400.431 2.375 20 10 HECDMO COc1cc(OC)cc(N2CC[C@@H]([N@@H+](C)Cc3cc4c(cc3O)OCO4)C2=O)c1 ZINC000769534663 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/nfs/dbraw/zinc/36/21/34/1079362134.db2.gz QBSJUZLPINLVFR-IRXDYDNUSA-N 1 1 415.513 2.020 20 10 HECDMO C[C@H]1CN(c2ccc(CNC(=O)C[N@@H+](C)CCc3cnccn3)cc2F)C[C@H](C)O1 ZINC000771464777 1079362145 /nfs/dbraw/zinc/36/21/45/1079362145.db2.gz QBSJUZLPINLVFR-IRXDYDNUSA-N 1 1 415.513 2.020 20 10 HECDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCN3C(=O)OCC[C@H]3C2)C1 ZINC000766852980 1079440056 /nfs/dbraw/zinc/44/00/56/1079440056.db2.gz CPTVPGJTMBONNK-KRWDZBQOSA-N 1 1 410.518 2.461 20 10 HECDMO COc1ccc(N2CCN(C(=O)COC(=O)[C@H](C(C)C)[NH+]3CCCCC3)CC2)cc1 ZINC000741013054 1076329065 /nfs/dbraw/zinc/32/90/65/1076329065.db2.gz XVVRKSMWHSKTEB-QFIPXVFZSA-N 1 1 417.550 2.398 20 10 HECDMO Cc1cc(C(=O)C[N@H+](CCCCO)C2CC2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000741250979 1076419610 /nfs/dbraw/zinc/41/96/10/1076419610.db2.gz LGJMGPQAUWVFJN-UHFFFAOYSA-N 1 1 419.547 2.161 20 10 HECDMO Cc1cc(C(=O)C[N@@H+](CCCCO)C2CC2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000741250979 1076419613 /nfs/dbraw/zinc/41/96/13/1076419613.db2.gz LGJMGPQAUWVFJN-UHFFFAOYSA-N 1 1 419.547 2.161 20 10 HECDMO C[C@@H](C(=O)Nc1sccc1C(N)=O)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000741734317 1076613739 /nfs/dbraw/zinc/61/37/39/1076613739.db2.gz CJFFFHDIROKADL-AWEZNQCLSA-N 1 1 402.520 2.143 20 10 HECDMO C[C@@H](C(=O)Nc1sccc1C(N)=O)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000741734317 1076613746 /nfs/dbraw/zinc/61/37/46/1076613746.db2.gz CJFFFHDIROKADL-AWEZNQCLSA-N 1 1 402.520 2.143 20 10 HECDMO C[C@@H](C(=O)NC(=O)NCc1ccccc1)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000741737021 1076615646 /nfs/dbraw/zinc/61/56/46/1076615646.db2.gz XVXGTOAPQNFWCF-SFHVURJKSA-N 1 1 410.518 2.370 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)NCCSC(F)(F)F)CC2)cc1 ZINC000742940830 1076896702 /nfs/dbraw/zinc/89/67/02/1076896702.db2.gz ZHHYJHKHPPCMJN-UHFFFAOYSA-N 1 1 406.474 2.369 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)COCc3cccc(OC)c3)CC2)cc1 ZINC000742920733 1076897752 /nfs/dbraw/zinc/89/77/52/1076897752.db2.gz RQEYCAORPNYBEM-UHFFFAOYSA-N 1 1 413.518 2.159 20 10 HECDMO COc1ccc(O[C@@H](C)C(=O)NCC[NH+]2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000742921765 1076898063 /nfs/dbraw/zinc/89/80/63/1076898063.db2.gz ZDLDQCQMFNTPBG-SFHVURJKSA-N 1 1 413.518 2.410 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)c3cnn(Cc4ccccc4)c3)CC2)cc1 ZINC000742926787 1076898506 /nfs/dbraw/zinc/89/85/06/1076898506.db2.gz AQRVMLNVOBILDI-UHFFFAOYSA-N 1 1 419.529 2.492 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)NCc3ccc(OC)c(O)c3)CC2)cc1 ZINC000743363966 1077032920 /nfs/dbraw/zinc/03/29/20/1077032920.db2.gz YVBQSDFVVPLJNV-UHFFFAOYSA-N 1 1 414.506 2.031 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)N[C@@H]3[C@H]4CCCO[C@H]4C3(C)C)CC2)cc1 ZINC000743566885 1077074095 /nfs/dbraw/zinc/07/40/95/1077074095.db2.gz KSOGCZUJHNFOCL-NJDAHSKKSA-N 1 1 416.566 2.320 20 10 HECDMO COCC[N@@H+](C)CCNC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000743594330 1077077634 /nfs/dbraw/zinc/07/76/34/1077077634.db2.gz UBWJVNJSCFNYHK-HNNXBMFYSA-N 1 1 400.470 2.134 20 10 HECDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 ZINC000743736431 1077105033 /nfs/dbraw/zinc/10/50/33/1077105033.db2.gz XPOFLBQKYJCURD-KRWDZBQOSA-N 1 1 403.504 2.110 20 10 HECDMO C[N@H+](CCOc1ccc(S(C)(=O)=O)cc1)Cc1ccc(N2CCOCC2)cc1 ZINC000743839249 1077140037 /nfs/dbraw/zinc/14/00/37/1077140037.db2.gz QLERROLCBCYBEK-UHFFFAOYSA-N 1 1 404.532 2.438 20 10 HECDMO C[N@@H+](CCOc1ccc(S(C)(=O)=O)cc1)Cc1ccc(N2CCOCC2)cc1 ZINC000743839249 1077140048 /nfs/dbraw/zinc/14/00/48/1077140048.db2.gz QLERROLCBCYBEK-UHFFFAOYSA-N 1 1 404.532 2.438 20 10 HECDMO CCN(Cc1cc(Br)ccc1O)C(=O)NCCC[NH+]1CCOCC1 ZINC000745249320 1077788963 /nfs/dbraw/zinc/78/89/63/1077788963.db2.gz BIARBMNSAQBZLR-UHFFFAOYSA-N 1 1 400.317 2.409 20 10 HECDMO COc1ccc(N2CCN(CCCNC(=O)N(C)[C@H]3CC[N@H+](C)[C@H](C)C3)CC2)cc1 ZINC000745350779 1077811535 /nfs/dbraw/zinc/81/15/35/1077811535.db2.gz NUCGTHFQSGPNJR-CTNGQTDRSA-N 1 1 417.598 2.331 20 10 HECDMO COc1ccc(N2CCN(CCCNC(=O)N(C)[C@H]3CC[N@@H+](C)[C@H](C)C3)CC2)cc1 ZINC000745350779 1077811538 /nfs/dbraw/zinc/81/15/38/1077811538.db2.gz NUCGTHFQSGPNJR-CTNGQTDRSA-N 1 1 417.598 2.331 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)c3ccc(C(=O)NC(C)C)cc3)CC2)cc1 ZINC000767334234 1079809628 /nfs/dbraw/zinc/80/96/28/1079809628.db2.gz KTZVIXZCEGHVKK-UHFFFAOYSA-N 1 1 424.545 2.385 20 10 HECDMO CCOC(=O)c1cnn2c1[nH]c(CN1CC[C@@H]([N@@H+](C)Cc3ccccc3)C1)cc2=O ZINC000746485644 1080056732 /nfs/dbraw/zinc/05/67/32/1080056732.db2.gz ZKWZAFLFEIVXHH-GOSISDBHSA-N 1 1 409.490 2.318 20 10 HECDMO C[N@@H+](CCCOc1cccc(S(C)(=O)=O)c1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768443900 1080563425 /nfs/dbraw/zinc/56/34/25/1080563425.db2.gz IRQQSXPNOHPFJX-IBGZPJMESA-N 1 1 407.488 2.122 20 10 HECDMO C[NH+](C)CCOc1ccccc1N1CCN(Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000768444889 1080563815 /nfs/dbraw/zinc/56/38/15/1080563815.db2.gz DBWIBWWTISOGKA-NRFANRHFSA-N 1 1 413.518 2.081 20 10 HECDMO C[C@H](Sc1nncn1C)C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000768913281 1080853007 /nfs/dbraw/zinc/85/30/07/1080853007.db2.gz XSKFYNJXRJNGBN-WFASDCNBSA-N 1 1 409.943 2.436 20 10 HECDMO C[C@H](Sc1nncn1C)C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000768913281 1080853009 /nfs/dbraw/zinc/85/30/09/1080853009.db2.gz XSKFYNJXRJNGBN-WFASDCNBSA-N 1 1 409.943 2.436 20 10 HECDMO CCC(=O)N1CSC[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000768914619 1080853710 /nfs/dbraw/zinc/85/37/10/1080853710.db2.gz FSCDBQVRVDAGTL-HOTGVXAUSA-N 1 1 411.955 2.438 20 10 HECDMO Cc1ccnc2nc(C(=O)N[C@@H]3CCC[N@H+](Cc4cc(Cl)ccc4O)C3)nn21 ZINC000768914472 1080853751 /nfs/dbraw/zinc/85/37/51/1080853751.db2.gz DCKKVOWHFALNBY-OAHLLOKOSA-N 1 1 400.870 2.186 20 10 HECDMO Cc1ccnc2nc(C(=O)N[C@@H]3CCC[N@@H+](Cc4cc(Cl)ccc4O)C3)nn21 ZINC000768914472 1080853752 /nfs/dbraw/zinc/85/37/52/1080853752.db2.gz DCKKVOWHFALNBY-OAHLLOKOSA-N 1 1 400.870 2.186 20 10 HECDMO O=C(N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)c1sccc1-n1cnnn1 ZINC000768914594 1080854407 /nfs/dbraw/zinc/85/44/07/1080854407.db2.gz FPDNGTQYUZDXKY-CQSZACIVSA-N 1 1 418.910 2.477 20 10 HECDMO COC(=O)CSCCC(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000768917004 1080855872 /nfs/dbraw/zinc/85/58/72/1080855872.db2.gz VKSSBZCGBMPINN-HNNXBMFYSA-N 1 1 400.928 2.423 20 10 HECDMO CCOC(=O)c1cnn2c1[nH]c(COC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)cc2=O ZINC000786880354 1080884454 /nfs/dbraw/zinc/88/44/54/1080884454.db2.gz INNTZBIGGXYTNS-INIZCTEOSA-N 1 1 402.451 2.062 20 10 HECDMO COc1cccc(C[N@H+]2CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)c1O ZINC000769192663 1080967794 /nfs/dbraw/zinc/96/77/94/1080967794.db2.gz PLUDOPQOEMSAGI-INIZCTEOSA-N 1 1 407.511 2.254 20 10 HECDMO COc1cc(Br)cc(CN2CCC(C(=O)NCC[NH+](C)C)CC2)c1O ZINC000769159312 1080977604 /nfs/dbraw/zinc/97/76/04/1080977604.db2.gz AHCIXEYCQZOTLR-UHFFFAOYSA-N 1 1 414.344 2.053 20 10 HECDMO CCOC(=O)[C@H]1CCCN(C(=O)C[N@H+](C)Cc2cc(Br)ccc2O)C1 ZINC000769301689 1081035616 /nfs/dbraw/zinc/03/56/16/1081035616.db2.gz CIEPGOONKQGWGF-ZDUSSCGKSA-N 1 1 413.312 2.388 20 10 HECDMO CCOC(=O)[C@H]1CCCN(C(=O)C[N@@H+](C)Cc2cc(Br)ccc2O)C1 ZINC000769301689 1081035623 /nfs/dbraw/zinc/03/56/23/1081035623.db2.gz CIEPGOONKQGWGF-ZDUSSCGKSA-N 1 1 413.312 2.388 20 10 HECDMO Cc1ccc(S(=O)(=O)NCC[N@H+](C)Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000769499815 1081098445 /nfs/dbraw/zinc/09/84/45/1081098445.db2.gz RAMWFAYGDDMTGL-UHFFFAOYSA-N 1 1 403.548 2.242 20 10 HECDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)OCC(=O)NC[C@@H]2CCCO2)C1 ZINC000769665605 1078505635 /nfs/dbraw/zinc/50/56/35/1078505635.db2.gz VPEVUUSZVWAMLN-KRWDZBQOSA-N 1 1 413.518 2.246 20 10 HECDMO CC[C@@]1(C)NC(=O)N(NC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)C1=O ZINC000769855731 1078579579 /nfs/dbraw/zinc/57/95/79/1078579579.db2.gz RPXNNXYBVCUMHH-JOCHJYFZSA-N 1 1 411.506 2.160 20 10 HECDMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)CC1 ZINC000745863110 1078678254 /nfs/dbraw/zinc/67/82/54/1078678254.db2.gz RAIMKVRNNJGDRU-FPOVZHCZSA-N 1 1 418.582 2.356 20 10 HECDMO C[C@@H](NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000770107074 1078731543 /nfs/dbraw/zinc/73/15/43/1078731543.db2.gz GRMLXPKJZVTTAZ-RDTXWAMCSA-N 1 1 412.481 2.275 20 10 HECDMO C[C@@H](NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000770107074 1078731548 /nfs/dbraw/zinc/73/15/48/1078731548.db2.gz GRMLXPKJZVTTAZ-RDTXWAMCSA-N 1 1 412.481 2.275 20 10 HECDMO NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)[C@H]3CCC[N@@H+]3Cc3ccccn3)cc2)C1 ZINC000746147453 1078806164 /nfs/dbraw/zinc/80/61/64/1078806164.db2.gz PBKAYZAABRKPMT-SIKLNZKXSA-N 1 1 421.545 2.064 20 10 HECDMO NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)[C@H]3CCC[N@H+]3Cc3ccccn3)cc2)C1 ZINC000746147453 1078806168 /nfs/dbraw/zinc/80/61/68/1078806168.db2.gz PBKAYZAABRKPMT-SIKLNZKXSA-N 1 1 421.545 2.064 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)NCCC[C@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000770365592 1078831564 /nfs/dbraw/zinc/83/15/64/1078831564.db2.gz QVZGCBPFKSFXHB-KNQAVFIVSA-N 1 1 418.582 2.448 20 10 HECDMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)C1 ZINC000746315745 1078855356 /nfs/dbraw/zinc/85/53/56/1078855356.db2.gz DAPDVNQUZDDOJR-MOPGFXCFSA-N 1 1 420.554 2.155 20 10 HECDMO CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)C1 ZINC000746315745 1078855359 /nfs/dbraw/zinc/85/53/59/1078855359.db2.gz DAPDVNQUZDDOJR-MOPGFXCFSA-N 1 1 420.554 2.155 20 10 HECDMO CC(C)OCC[NH+]1CCN(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)CC1 ZINC000746414351 1078908077 /nfs/dbraw/zinc/90/80/77/1078908077.db2.gz NMURINXDVSQJEA-LJQANCHMSA-N 1 1 404.555 2.336 20 10 HECDMO COc1ccc(N2CCN(C[C@H](O)C[N@H+]3CC[C@@]4(C3)OCc3ccccc34)CC2)cc1 ZINC000770687302 1078935942 /nfs/dbraw/zinc/93/59/42/1078935942.db2.gz DYAWPULIRWLTFV-DHLKQENFSA-N 1 1 423.557 2.310 20 10 HECDMO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cn1cc(I)cn1 ZINC000738022727 1078972668 /nfs/dbraw/zinc/97/26/68/1078972668.db2.gz MTJIDFIPRVEBQH-UHFFFAOYSA-N 1 1 412.275 2.414 20 10 HECDMO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cn1cc(I)cn1 ZINC000738022727 1078972677 /nfs/dbraw/zinc/97/26/77/1078972677.db2.gz MTJIDFIPRVEBQH-UHFFFAOYSA-N 1 1 412.275 2.414 20 10 HECDMO COc1ccc(N2CCN(C(=O)Cc3noc(C[N@H+]4[C@H](C)CC[C@@H]4C)n3)CC2)cc1 ZINC000771055608 1079116551 /nfs/dbraw/zinc/11/65/51/1079116551.db2.gz HBGOQWPEJHXQES-CALCHBBNSA-N 1 1 413.522 2.342 20 10 HECDMO COc1ccc(N2CCN(C(=O)Cc3noc(C[N@@H+]4[C@H](C)CC[C@@H]4C)n3)CC2)cc1 ZINC000771055608 1079116555 /nfs/dbraw/zinc/11/65/55/1079116555.db2.gz HBGOQWPEJHXQES-CALCHBBNSA-N 1 1 413.522 2.342 20 10 HECDMO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NC2CCN(c3ccc(OC)cc3)CC2)C[C@@H]1C ZINC000804318351 1079264557 /nfs/dbraw/zinc/26/45/57/1079264557.db2.gz IIZCRMRXSGUHKB-FXAWDEMLSA-N 1 1 416.566 2.111 20 10 HECDMO C[N@H+]1CCC[C@@H]2CN(C(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)CC[C@H]21 ZINC000766880256 1079474785 /nfs/dbraw/zinc/47/47/85/1079474785.db2.gz KYPIOZASHYSTEN-SFHLNBCPSA-N 1 1 413.566 2.014 20 10 HECDMO C[N@H+]1CCC[C@@H]2CN(C(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)CC[C@@H]21 ZINC000766880248 1079474839 /nfs/dbraw/zinc/47/48/39/1079474839.db2.gz KYPIOZASHYSTEN-DYXWJJEUSA-N 1 1 413.566 2.014 20 10 HECDMO CN(C)c1ccc(CN(C)C(=O)CN(C)CC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000738340594 1075984494 /nfs/dbraw/zinc/98/44/94/1075984494.db2.gz MMYQABWSWRMTPQ-UHFFFAOYSA-N 1 1 423.605 2.465 20 10 HECDMO C[N@H+](CC(=O)NCCOc1ccc(F)cc1)Cc1ccc(N2CCOCC2)cc1 ZINC000738298997 1075985398 /nfs/dbraw/zinc/98/53/98/1075985398.db2.gz LJDJOIMMZUOIHY-UHFFFAOYSA-N 1 1 401.482 2.289 20 10 HECDMO C[N@@H+](CC(=O)NCCOc1ccc(F)cc1)Cc1ccc(N2CCOCC2)cc1 ZINC000738298997 1075985403 /nfs/dbraw/zinc/98/54/03/1075985403.db2.gz LJDJOIMMZUOIHY-UHFFFAOYSA-N 1 1 401.482 2.289 20 10 HECDMO C[C@@H]([NH2+]Cc1nnc2n1c1ccccc1c(=O)n2C)c1ccc(N2CCOCC2)cc1 ZINC000065278424 1076063519 /nfs/dbraw/zinc/06/35/19/1076063519.db2.gz GVBIBOMBXSYOEM-MRXNPFEDSA-N 1 1 418.501 2.269 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)NC[C@@](C)(O)c3cccs3)CC2)cc1 ZINC000740038223 1076098415 /nfs/dbraw/zinc/09/84/15/1076098415.db2.gz JAHOKEMUBYPJDX-OAQYLSRUSA-N 1 1 418.563 2.086 20 10 HECDMO 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 1076162601 /nfs/dbraw/zinc/16/26/01/1076162601.db2.gz GWWJJWYFSVPKTD-XWSJACJDSA-N 1 1 420.573 2.470 20 10 HECDMO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741211125 1076405306 /nfs/dbraw/zinc/40/53/06/1076405306.db2.gz JFNCNSFGOFTPLD-HSZRJFAPSA-N 1 1 409.530 2.383 20 10 HECDMO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741211125 1076405308 /nfs/dbraw/zinc/40/53/08/1076405308.db2.gz JFNCNSFGOFTPLD-HSZRJFAPSA-N 1 1 409.530 2.383 20 10 HECDMO 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 1076628712 /nfs/dbraw/zinc/62/87/12/1076628712.db2.gz AZYHTTFVLTVODG-SOAMZJECSA-N 1 1 420.573 2.470 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)c3ccc(N4CCOC4=O)cc3)CC2)cc1 ZINC000742919025 1076897692 /nfs/dbraw/zinc/89/76/92/1076897692.db2.gz ACHZABYHUYSONR-UHFFFAOYSA-N 1 1 424.501 2.204 20 10 HECDMO CCC1(O)CC[NH+](CC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)CC1 ZINC000743855725 1077143623 /nfs/dbraw/zinc/14/36/23/1077143623.db2.gz XSCCPVYLNJWNKV-IAGOWNOFSA-N 1 1 407.530 2.292 20 10 HECDMO CCC1(O)CC[NH+](CC(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)CC1 ZINC000743855724 1077143765 /nfs/dbraw/zinc/14/37/65/1077143765.db2.gz XSCCPVYLNJWNKV-CALCHBBNSA-N 1 1 407.530 2.292 20 10 HECDMO CN1CCN(c2ccc(C[NH2+][C@H]3CN(Cc4ccccc4)CC[C@H]3CO)cc2)CC1 ZINC000771841819 1079532762 /nfs/dbraw/zinc/53/27/62/1079532762.db2.gz LPSAJVTYXNGCHD-ZCYQVOJMSA-N 1 1 408.590 2.411 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)N[C@@H]3CCO[C@@H](C(C)C)C3)CC2)cc1 ZINC000771953569 1079600088 /nfs/dbraw/zinc/60/00/88/1079600088.db2.gz QQWZUWRAVKPVGC-WIYYLYMNSA-N 1 1 404.555 2.320 20 10 HECDMO O=C(NCc1ccccc1O)C(=O)Nc1ccnn1[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000772477429 1079896787 /nfs/dbraw/zinc/89/67/87/1079896787.db2.gz RMLVMHUBMIFGOO-IBGZPJMESA-N 1 1 419.485 2.291 20 10 HECDMO CC(C)N1CCc2c(c3ccccc3n2CC(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000767777407 1080082895 /nfs/dbraw/zinc/08/28/95/1080082895.db2.gz TVRJMEOHGSEENL-OALUTQOASA-N 1 1 410.562 2.387 20 10 HECDMO CC(C)N1CCc2c(c3ccccc3n2CC(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000767777407 1080082905 /nfs/dbraw/zinc/08/29/05/1080082905.db2.gz TVRJMEOHGSEENL-OALUTQOASA-N 1 1 410.562 2.387 20 10 HECDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC(n3cc([C@H](C)O)nn3)C2)C1 ZINC000768186509 1080402644 /nfs/dbraw/zinc/40/26/44/1080402644.db2.gz XSXHWZKCYCPJLI-INIZCTEOSA-N 1 1 422.533 2.136 20 10 HECDMO COC[C@H]1CCCCN(C(=O)NCC[NH+]2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000768297770 1080469571 /nfs/dbraw/zinc/46/95/71/1080469571.db2.gz YACRVHPNNUJFBU-IBGZPJMESA-N 1 1 404.555 2.275 20 10 HECDMO COc1cc(O)c(C[NH+]2CCN(CC(=O)N3C[C@H](C)C[C@H](C)C3)CC2)cc1OC ZINC000768441902 1080562117 /nfs/dbraw/zinc/56/21/17/1080562117.db2.gz LMCFWTBMQLHFRN-CALCHBBNSA-N 1 1 405.539 2.032 20 10 HECDMO COc1cc(O)c(C[NH+]2CCN(CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)cc1OC ZINC000768441905 1080562202 /nfs/dbraw/zinc/56/22/02/1080562202.db2.gz LMCFWTBMQLHFRN-IAGOWNOFSA-N 1 1 405.539 2.032 20 10 HECDMO OC[C@H](c1ccc(Cl)cc1)N1CC[NH+](Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000768445030 1080564160 /nfs/dbraw/zinc/56/41/60/1080564160.db2.gz DZGMCDDPYFWJJB-UYAOXDASSA-N 1 1 404.894 2.323 20 10 HECDMO COc1cccc(OCCN2CC[NH+](Cc3cc4c(cc3O)OC[C@@H]4O)CC2)c1 ZINC000768462947 1080583912 /nfs/dbraw/zinc/58/39/12/1080583912.db2.gz PFOKFXKWAIIDLM-NRFANRHFSA-N 1 1 400.475 2.023 20 10 HECDMO Cc1nnc(SCC(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)[nH]1 ZINC000768914889 1080855370 /nfs/dbraw/zinc/85/53/70/1080855370.db2.gz JDRQSSVLYINDTL-UHFFFAOYSA-N 1 1 400.552 2.054 20 10 HECDMO Cc1n[nH]c(SCC(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)n1 ZINC000768914889 1080855372 /nfs/dbraw/zinc/85/53/72/1080855372.db2.gz JDRQSSVLYINDTL-UHFFFAOYSA-N 1 1 400.552 2.054 20 10 HECDMO COC(=O)CSCCC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000768917005 1080855985 /nfs/dbraw/zinc/85/59/85/1080855985.db2.gz VKSSBZCGBMPINN-OAHLLOKOSA-N 1 1 400.928 2.423 20 10 HECDMO CS(=O)(=O)Nc1cccc2c1CC[N@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC000768922383 1080859780 /nfs/dbraw/zinc/85/97/80/1080859780.db2.gz PPPOGUTYIPMGLK-UHFFFAOYSA-N 1 1 401.532 2.453 20 10 HECDMO CS(=O)(=O)Nc1cccc2c1CC[N@@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC000768922383 1080859783 /nfs/dbraw/zinc/85/97/83/1080859783.db2.gz PPPOGUTYIPMGLK-UHFFFAOYSA-N 1 1 401.532 2.453 20 10 HECDMO CN(C1CC[NH+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1)S(C)(=O)=O ZINC000769124608 1080944956 /nfs/dbraw/zinc/94/49/56/1080944956.db2.gz FMAOHKQTLDMMFA-UHFFFAOYSA-N 1 1 410.540 2.441 20 10 HECDMO COc1cc(Br)cc(C[NH+]2CCC(N(C)S(C)(=O)=O)CC2)c1O ZINC000769125258 1080945545 /nfs/dbraw/zinc/94/55/45/1080945545.db2.gz LRPHDJSYYQDQPE-UHFFFAOYSA-N 1 1 407.330 2.019 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)NC(C)(C)C3CCOCC3)CC2)cc1 ZINC000787096039 1081010915 /nfs/dbraw/zinc/01/09/15/1081010915.db2.gz ANCJQQMYKWKNDL-UHFFFAOYSA-N 1 1 404.555 2.322 20 10 HECDMO O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)[C@H]1CCC[N@H+]1C1CC1 ZINC000787140115 1081024595 /nfs/dbraw/zinc/02/45/95/1081024595.db2.gz LRZVJRZFBDNBQQ-OAQYLSRUSA-N 1 1 424.524 2.185 20 10 HECDMO O=C1[C@@H](N2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)CCN1c1ccccc1 ZINC000769404858 1081063900 /nfs/dbraw/zinc/06/39/00/1081063900.db2.gz RGCUPUDWISTSMK-DEOSSOPVSA-N 1 1 420.557 2.446 20 10 HECDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 ZINC000769533104 1081112553 /nfs/dbraw/zinc/11/25/53/1081112553.db2.gz ODUSIPNAUSZXRO-FQEVSTJZSA-N 1 1 415.538 2.324 20 10 HECDMO CC(C)[C@H](OC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2)C(=O)NC(N)=O ZINC000769663231 1078501574 /nfs/dbraw/zinc/50/15/74/1078501574.db2.gz NBVCVRFXVYTBGX-FQEVSTJZSA-N 1 1 414.506 2.171 20 10 HECDMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000745691359 1078586372 /nfs/dbraw/zinc/58/63/72/1078586372.db2.gz JJBUYLCBLLMLEP-WOJBJXKFSA-N 1 1 415.582 2.404 20 10 HECDMO C[C@@H](NC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1)c1ccc(N2CCOCC2)cc1 ZINC000745781158 1078640189 /nfs/dbraw/zinc/64/01/89/1078640189.db2.gz XRLRTFFJTSTWEX-KNQAVFIVSA-N 1 1 416.566 2.481 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)N[C@@H]3C[C@](C)(OC)C3(C)C)CC2)cc1 ZINC000745784566 1078641978 /nfs/dbraw/zinc/64/19/78/1078641978.db2.gz XXCPYXOBISZWEV-KNQAVFIVSA-N 1 1 404.555 2.320 20 10 HECDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000769957277 1078651917 /nfs/dbraw/zinc/65/19/17/1078651917.db2.gz KQUOZXBBOKUYKR-KXBFYZLASA-N 1 1 417.531 2.404 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)NCCC[C@H]3CCCC[C@H]3O)CC2)cc1 ZINC000770365589 1078831502 /nfs/dbraw/zinc/83/15/02/1078831502.db2.gz QVZGCBPFKSFXHB-DENIHFKCSA-N 1 1 418.582 2.448 20 10 HECDMO CC[N@H+]1CC[C@H](N(C)C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)[C@@H](C)C1 ZINC000746313636 1078854150 /nfs/dbraw/zinc/85/41/50/1078854150.db2.gz GFMUHEPLGNVLRL-UGKGYDQZSA-N 1 1 417.598 2.189 20 10 HECDMO COc1ccc(N2CCN(C(=O)C[N@@H+]3CC[C@@]4(C3)OCc3ccccc34)CC2)cc1 ZINC000770677031 1078930034 /nfs/dbraw/zinc/93/00/34/1078930034.db2.gz UFAXERCJOJVRFV-DEOSSOPVSA-N 1 1 407.514 2.475 20 10 HECDMO COc1ccc(N2CCN(C(=O)C[N@H+]3CC[C@@]4(C3)OCc3ccccc34)CC2)cc1 ZINC000770677031 1078930044 /nfs/dbraw/zinc/93/00/44/1078930044.db2.gz UFAXERCJOJVRFV-DEOSSOPVSA-N 1 1 407.514 2.475 20 10 HECDMO CN(C)c1ccc(CN(C)C(=O)C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000804278197 1079003236 /nfs/dbraw/zinc/00/32/36/1079003236.db2.gz QCPMGBRTQFHBHG-OAQYLSRUSA-N 1 1 408.546 2.349 20 10 HECDMO O=C(N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)c1ccc(-n2cnnn2)cc1 ZINC000771057393 1079118084 /nfs/dbraw/zinc/11/80/84/1079118084.db2.gz ITLMHMMYXBAYOI-QGZVFWFLSA-N 1 1 412.881 2.416 20 10 HECDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000804315852 1079236229 /nfs/dbraw/zinc/23/62/29/1079236229.db2.gz UABGXYJORSOFJR-LJQANCHMSA-N 1 1 416.566 2.161 20 10 HECDMO CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000739874073 1076084478 /nfs/dbraw/zinc/08/44/78/1076084478.db2.gz AMSPYYGGAZBRQN-LJQANCHMSA-N 1 1 401.551 2.345 20 10 HECDMO CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000739874073 1076084485 /nfs/dbraw/zinc/08/44/85/1076084485.db2.gz AMSPYYGGAZBRQN-LJQANCHMSA-N 1 1 401.551 2.345 20 10 HECDMO CC[N@H+]1C[C@H](C)N(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C[C@@H]1C ZINC000766250381 1076151223 /nfs/dbraw/zinc/15/12/23/1076151223.db2.gz LCMOJYGIYWONEM-LNLFQRSKSA-N 1 1 401.555 2.012 20 10 HECDMO COc1ccc(OCCC(=O)NCC[NH+]2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000742916809 1076897331 /nfs/dbraw/zinc/89/73/31/1076897331.db2.gz OQIFNUBABCVXQJ-UHFFFAOYSA-N 1 1 413.518 2.411 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)NCCOc3ccccc3F)CC2)cc1 ZINC000742948273 1076899581 /nfs/dbraw/zinc/89/95/81/1076899581.db2.gz PODNLADEHUCVOK-UHFFFAOYSA-N 1 1 416.497 2.335 20 10 HECDMO COCc1csc(NC(=O)NCC[NH+]2CCN(c3ccc(OC)cc3)CC2)n1 ZINC000743223412 1077006739 /nfs/dbraw/zinc/00/67/39/1077006739.db2.gz IONGEQVYOPANDQ-UHFFFAOYSA-N 1 1 405.524 2.242 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)N(C[C@@H]3CCOC3)C3CC3)CC2)cc1 ZINC000743363980 1077033087 /nfs/dbraw/zinc/03/30/87/1077033087.db2.gz ZHOWNUXZWSXYBR-SFHVURJKSA-N 1 1 402.539 2.028 20 10 HECDMO COCC[N@H+]1CC[C@H](NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1 ZINC000743626816 1077082869 /nfs/dbraw/zinc/08/28/69/1077082869.db2.gz NREPGVWNEDEOPR-HOTGVXAUSA-N 1 1 412.481 2.277 20 10 HECDMO CC[N@@H+](Cc1cc(Br)ccc1O)[C@H](C)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000743874195 1077157763 /nfs/dbraw/zinc/15/77/63/1077157763.db2.gz VXLKBWXZWXGUSS-CHWSQXEVSA-N 1 1 412.328 2.089 20 10 HECDMO COc1ccc(N2CCN(CCCNC(=O)N(C)[C@@H]3CC[N@H+](C)[C@H](C)C3)CC2)cc1 ZINC000745351090 1077811796 /nfs/dbraw/zinc/81/17/96/1077811796.db2.gz NUCGTHFQSGPNJR-TZIWHRDSSA-N 1 1 417.598 2.331 20 10 HECDMO COc1ccc(N2CCN(CCCNC(=O)N(C)[C@@H]3CC[N@@H+](C)[C@H](C)C3)CC2)cc1 ZINC000745351090 1077811798 /nfs/dbraw/zinc/81/17/98/1077811798.db2.gz NUCGTHFQSGPNJR-TZIWHRDSSA-N 1 1 417.598 2.331 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)NCc3ccnc(SC)c3)CC2)cc1 ZINC000771948514 1079596450 /nfs/dbraw/zinc/59/64/50/1079596450.db2.gz DWBNSOSHDNUMPK-UHFFFAOYSA-N 1 1 415.563 2.434 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)/C=C\c3ccc(OC)c(O)c3)CC2)cc1 ZINC000772510719 1079907869 /nfs/dbraw/zinc/90/78/69/1079907869.db2.gz MUFKGDPTARZAFP-WMZJFQQLSA-N 1 1 411.502 2.361 20 10 HECDMO COC(CN(CCCO)C(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2)OC ZINC000768215506 1080418850 /nfs/dbraw/zinc/41/88/50/1080418850.db2.gz GOZNUIIRXMZSRS-UHFFFAOYSA-N 1 1 417.550 2.238 20 10 HECDMO COc1cc(Br)cc(C[N@@H+]2CCCC[C@H]2CNS(C)(=O)=O)c1O ZINC000768342121 1080498303 /nfs/dbraw/zinc/49/83/03/1080498303.db2.gz PIOANIPPAHBGHI-ZDUSSCGKSA-N 1 1 407.330 2.067 20 10 HECDMO COc1cc(Br)cc(C[N@H+]2CCCC[C@H]2CNS(C)(=O)=O)c1O ZINC000768342121 1080498313 /nfs/dbraw/zinc/49/83/13/1080498313.db2.gz PIOANIPPAHBGHI-ZDUSSCGKSA-N 1 1 407.330 2.067 20 10 HECDMO COc1cc(O)c(C[NH+]2CCN(CC(=O)N(C)C3CCCCC3)CC2)cc1OC ZINC000768451281 1080568766 /nfs/dbraw/zinc/56/87/66/1080568766.db2.gz MFIKVZTWHFSJBM-UHFFFAOYSA-N 1 1 405.539 2.318 20 10 HECDMO C[C@@H](Sc1nncn1C)C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000768913278 1080853091 /nfs/dbraw/zinc/85/30/91/1080853091.db2.gz XSKFYNJXRJNGBN-DOMZBBRYSA-N 1 1 409.943 2.436 20 10 HECDMO C[C@@H](Sc1nncn1C)C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000768913278 1080853095 /nfs/dbraw/zinc/85/30/95/1080853095.db2.gz XSKFYNJXRJNGBN-DOMZBBRYSA-N 1 1 409.943 2.436 20 10 HECDMO CCOc1ccc(O)c(C[NH+]2CCN(c3ccccc3S(=O)(=O)NC)CC2)c1 ZINC000769317565 1081040834 /nfs/dbraw/zinc/04/08/34/1081040834.db2.gz SOQZYZZYDMVPRG-UHFFFAOYSA-N 1 1 405.520 2.021 20 10 HECDMO C[C@@H](C(=O)NC1CCCC1)N1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000769328611 1081043909 /nfs/dbraw/zinc/04/39/09/1081043909.db2.gz RDQULZHZMOFYSN-IBGZPJMESA-N 1 1 400.567 2.088 20 10 HECDMO COc1ccccc1NC(=O)CN1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000769527268 1081109154 /nfs/dbraw/zinc/10/91/54/1081109154.db2.gz DKSWUCFUNMOMCM-UHFFFAOYSA-N 1 1 424.545 2.288 20 10 HECDMO CNC(=O)C[NH+]1CCC(NC(=O)N(Cc2ccccc2O)C2CCCCC2)CC1 ZINC000745520634 1078521837 /nfs/dbraw/zinc/52/18/37/1078521837.db2.gz DVCAQSZMNCHUHC-UHFFFAOYSA-N 1 1 402.539 2.447 20 10 HECDMO CCc1cnc(CCNC(=O)NCC[NH+]2CCN(c3ccc(OC)cc3)CC2)s1 ZINC000745783958 1078642367 /nfs/dbraw/zinc/64/23/67/1078642367.db2.gz JANAMVBUPOBTAA-UHFFFAOYSA-N 1 1 417.579 2.378 20 10 HECDMO C[C@H](NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000770124730 1078740248 /nfs/dbraw/zinc/74/02/48/1078740248.db2.gz ROQSDQBGQUZCEB-DAYGRLMNSA-N 1 1 412.481 2.275 20 10 HECDMO C[C@H](NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000770124730 1078740254 /nfs/dbraw/zinc/74/02/54/1078740254.db2.gz ROQSDQBGQUZCEB-DAYGRLMNSA-N 1 1 412.481 2.275 20 10 HECDMO Cc1nc(C)c(CC(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)c(=O)[nH]1 ZINC000771054590 1079115562 /nfs/dbraw/zinc/11/55/62/1079115562.db2.gz AHAVPYKXTNSMKV-MRXNPFEDSA-N 1 1 404.898 2.481 20 10 HECDMO COCCn1cc(C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)ccc1=O ZINC000771065580 1079123266 /nfs/dbraw/zinc/12/32/66/1079123266.db2.gz NRUWQZAYSVQJTA-GOSISDBHSA-N 1 1 419.909 2.248 20 10 HECDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000804315849 1079236415 /nfs/dbraw/zinc/23/64/15/1079236415.db2.gz UABGXYJORSOFJR-IBGZPJMESA-N 1 1 416.566 2.161 20 10 HECDMO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCC[C@@H](CC(=O)OC(C)C)C1)cc2=O ZINC000766910242 1079502686 /nfs/dbraw/zinc/50/26/86/1079502686.db2.gz NHGHWLBABJTMSP-AWEZNQCLSA-N 1 1 404.467 2.165 20 10 HECDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCC[C@@H](CC(=O)OC(C)C)C1)cc2=O ZINC000766910242 1079502698 /nfs/dbraw/zinc/50/26/98/1079502698.db2.gz NHGHWLBABJTMSP-AWEZNQCLSA-N 1 1 404.467 2.165 20 10 HECDMO CN(C)c1nc(NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cc[nH+]1 ZINC000740866005 1076274941 /nfs/dbraw/zinc/27/49/41/1076274941.db2.gz FBELPSZNNPWXOU-UHFFFAOYSA-N 1 1 408.485 2.410 20 10 HECDMO C[C@H](NC(=O)N1CCC([N@@H+](C)CCCO)CC1)c1ccc(N2CCOCC2)cc1 ZINC000741080365 1076356643 /nfs/dbraw/zinc/35/66/43/1076356643.db2.gz ICLDXNYTXYVEJA-SFHVURJKSA-N 1 1 404.555 2.072 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)[C@H](C)Cc3c(C)nn(C)c3C)CC2)cc1 ZINC000742057001 1076721078 /nfs/dbraw/zinc/72/10/78/1076721078.db2.gz GMBHHYBIGDDWCB-QGZVFWFLSA-N 1 1 413.566 2.163 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)NCCc3csc(C)n3)CC2)cc1 ZINC000742940775 1076896581 /nfs/dbraw/zinc/89/65/81/1076896581.db2.gz XMRTZZZJZGAPLM-UHFFFAOYSA-N 1 1 403.552 2.124 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)Nc3cccc4c3OCCO4)CC2)cc1 ZINC000743306362 1077023464 /nfs/dbraw/zinc/02/34/64/1077023464.db2.gz YFFKYRQLXKVXOO-UHFFFAOYSA-N 1 1 412.490 2.410 20 10 HECDMO COc1ccc(N2CCN(CCNC(=O)NCCC[N@H+]3CCCC[C@@H]3C)CC2)cc1 ZINC000743318690 1077028130 /nfs/dbraw/zinc/02/81/30/1077028130.db2.gz DMXZAMCOFDRUEA-FQEVSTJZSA-N 1 1 417.598 2.381 20 10 HECDMO CC[N@@H+](CC(=O)NC(=O)NCC(F)(F)F)Cc1cc(Br)ccc1O ZINC000743870923 1077155697 /nfs/dbraw/zinc/15/56/97/1077155697.db2.gz HRWNTNVJRYPABA-UHFFFAOYSA-N 1 1 412.206 2.365 20 10 HECDMO CC[NH+](CC)[C@@H]1CCN(C(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000745352400 1077808707 /nfs/dbraw/zinc/80/87/07/1077808707.db2.gz YKLKPZJOLDYWMR-OAQYLSRUSA-N 1 1 417.598 2.333 20 10 HECDMO C[C@@H]1CN(c2ccc(CNC(=O)CN3CC[N@@H+](C)CC3(C)C)cc2F)C[C@H](C)O1 ZINC000766999839 1079599170 /nfs/dbraw/zinc/59/91/70/1079599170.db2.gz XWSSAELPYLUMMC-CALCHBBNSA-N 1 1 406.546 2.082 20 10 HECDMO CCC1(O)CCC(NC(=O)NCC[NH+]2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC000771954911 1079601927 /nfs/dbraw/zinc/60/19/27/1079601927.db2.gz YEYDLDPIZVTKNI-UHFFFAOYSA-N 1 1 404.555 2.200 20 10 HECDMO Oc1cc2c(cc1C[N@H+]1CCCN(c3nnc(C(F)(F)F)s3)CC1)[C@@H](O)CO2 ZINC000786105364 1080398737 /nfs/dbraw/zinc/39/87/37/1080398737.db2.gz HLXURSQXSSBKAR-ZDUSSCGKSA-N 1 1 416.425 2.401 20 10 HECDMO CCCS(=O)(=O)NC1CC[NH+](Cc2cc(Br)cc(OC)c2O)CC1 ZINC000768263382 1080448583 /nfs/dbraw/zinc/44/85/83/1080448583.db2.gz DDHXQYNSJXABCT-UHFFFAOYSA-N 1 1 421.357 2.457 20 10 HECDMO COC(=O)CC1(CC(=O)NCC[NH+]2CCN(c3ccc(OC)cc3)CC2)CCCC1 ZINC000786175555 1080479617 /nfs/dbraw/zinc/47/96/17/1080479617.db2.gz ZJCDYIOOIFWUIZ-UHFFFAOYSA-N 1 1 417.550 2.447 20 10 HECDMO CS(=O)(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000768342931 1080499020 /nfs/dbraw/zinc/49/90/20/1080499020.db2.gz UKKZCNUHYARCOP-KRWDZBQOSA-N 1 1 410.540 2.489 20 10 HECDMO CS(=O)(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000768342931 1080499033 /nfs/dbraw/zinc/49/90/33/1080499033.db2.gz UKKZCNUHYARCOP-KRWDZBQOSA-N 1 1 410.540 2.489 20 10 HECDMO C[NH+](C)Cc1ccc(NC(=O)C(=O)NCc2ccccc2O)cc1Br ZINC000786312112 1080557619 /nfs/dbraw/zinc/55/76/19/1080557619.db2.gz QOEFMTJNCYPWJJ-UHFFFAOYSA-N 1 1 406.280 2.471 20 10 HECDMO COc1cc(Br)cc(C[N@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)c1O ZINC000768437714 1080558818 /nfs/dbraw/zinc/55/88/18/1080558818.db2.gz DQGUGKYTPQXEBA-CQSZACIVSA-N 1 1 421.357 2.457 20 10 HECDMO Oc1cc2c(cc1C[N@H+]1CCC[C@@H](CN3CCN(c4ccccn4)CC3)C1)[C@@H](O)CO2 ZINC000768443502 1080563976 /nfs/dbraw/zinc/56/39/76/1080563976.db2.gz FLKOGMYPDYSXPY-AVRDEDQJSA-N 1 1 424.545 2.247 20 10 HECDMO CCOC(=O)c1ccc(N2CCC[N@@H+](Cc3cc4c(cc3O)OC[C@@H]4O)CC2)nc1 ZINC000768449696 1080567560 /nfs/dbraw/zinc/56/75/60/1080567560.db2.gz YNHOHMHTMPBCGA-IBGZPJMESA-N 1 1 413.474 2.102 20 10 HECDMO COc1cc(CN2CC[NH+](Cc3cc4c(cc3O)OC[C@H]4O)CC2)cc(OC)c1 ZINC000768463737 1080584657 /nfs/dbraw/zinc/58/46/57/1080584657.db2.gz LRUQRROXIIXWAV-OAQYLSRUSA-N 1 1 400.475 2.153 20 10 HECDMO COc1ccc(N2CCN(C(=O)COC(=O)[C@H]3CCC[N@H+]3C3CCCC3)CC2)cc1 ZINC000786884435 1080885611 /nfs/dbraw/zinc/88/56/11/1080885611.db2.gz PPXGVSAUGGJPGQ-OAQYLSRUSA-N 1 1 415.534 2.294 20 10 HECDMO COc1cccc(CC(=O)N2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)c1 ZINC000769137091 1080955310 /nfs/dbraw/zinc/95/53/10/1080955310.db2.gz VZCJCXUUIKTHBA-UHFFFAOYSA-N 1 1 409.530 2.419 20 10 HECDMO C[NH+](C)CCNC(=O)C1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 ZINC000769160478 1080978329 /nfs/dbraw/zinc/97/83/29/1080978329.db2.gz HFDRCVIOISXXSU-UHFFFAOYSA-N 1 1 417.554 2.475 20 10 HECDMO C[C@@H]1CN(c2ccc(CNC(=O)C[NH2+][C@@H](CCO)c3ccco3)cc2F)C[C@H](C)O1 ZINC000769220304 1081006797 /nfs/dbraw/zinc/00/67/97/1081006797.db2.gz JKVIGRMMIWUAQB-FCEWJHQRSA-N 1 1 419.497 2.362 20 10 HECDMO CCN(C1CC[NH+](Cc2cc(Br)cc(OC)c2O)CC1)S(C)(=O)=O ZINC000769389277 1081060979 /nfs/dbraw/zinc/06/09/79/1081060979.db2.gz MPUFLHHTIABUDI-UHFFFAOYSA-N 1 1 421.357 2.409 20 10 HECDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 ZINC000769533107 1081112512 /nfs/dbraw/zinc/11/25/12/1081112512.db2.gz ODUSIPNAUSZXRO-HXUWFJFHSA-N 1 1 415.538 2.324 20 10 HECDMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000745691357 1078585923 /nfs/dbraw/zinc/58/59/23/1078585923.db2.gz JJBUYLCBLLMLEP-UXHICEINSA-N 1 1 415.582 2.404 20 10 HECDMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000745691358 1078586476 /nfs/dbraw/zinc/58/64/76/1078586476.db2.gz JJBUYLCBLLMLEP-VQTJNVASSA-N 1 1 415.582 2.404 20 10 HECDMO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000745831992 1078666960 /nfs/dbraw/zinc/66/69/60/1078666960.db2.gz ZAZVJYSVTAFFSJ-HXUWFJFHSA-N 1 1 415.582 2.406 20 10 HECDMO C[C@H](NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000770107072 1078731590 /nfs/dbraw/zinc/73/15/90/1078731590.db2.gz GRMLXPKJZVTTAZ-KSSFIOAISA-N 1 1 412.481 2.275 20 10 HECDMO C[C@H](NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000770107072 1078731594 /nfs/dbraw/zinc/73/15/94/1078731594.db2.gz GRMLXPKJZVTTAZ-KSSFIOAISA-N 1 1 412.481 2.275 20 10 HECDMO NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CCC[N@@H+]3Cc3ccccn3)cc2)C1 ZINC000746147450 1078806213 /nfs/dbraw/zinc/80/62/13/1078806213.db2.gz PBKAYZAABRKPMT-KNQAVFIVSA-N 1 1 421.545 2.064 20 10 HECDMO NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CCC[N@H+]3Cc3ccccn3)cc2)C1 ZINC000746147450 1078806215 /nfs/dbraw/zinc/80/62/15/1078806215.db2.gz PBKAYZAABRKPMT-KNQAVFIVSA-N 1 1 421.545 2.064 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)N[C@H]3CCc4cc(O)ccc4C3)CC2)cc1 ZINC000770424158 1078846909 /nfs/dbraw/zinc/84/69/09/1078846909.db2.gz HTQAXXNSXOJMLW-FQEVSTJZSA-N 1 1 424.545 2.380 20 10 HECDMO O=C(N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000770627962 1078921726 /nfs/dbraw/zinc/92/17/26/1078921726.db2.gz CRZMFTKEUVTVIL-CQSZACIVSA-N 1 1 406.826 2.449 20 10 HECDMO COc1ccc(N2CCN(C[C@@H](O)C[N@H+]3CC[C@]4(C3)OCc3ccccc34)CC2)cc1 ZINC000770687304 1078936144 /nfs/dbraw/zinc/93/61/44/1078936144.db2.gz DYAWPULIRWLTFV-RCZVLFRGSA-N 1 1 423.557 2.310 20 10 HECDMO NC(=O)c1ccc(OCC(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)cc1 ZINC000771051883 1079113931 /nfs/dbraw/zinc/11/39/31/1079113931.db2.gz CKRMHAUQZWPHBB-QGZVFWFLSA-N 1 1 417.893 2.304 20 10 HECDMO CCC[C@H]1CN(C(=O)NCc2ccc(N3CCOCC3)cc2)CC[N@H+]1CCOC ZINC000766775023 1079357093 /nfs/dbraw/zinc/35/70/93/1079357093.db2.gz GAAKKOMJHGIQIB-NRFANRHFSA-N 1 1 404.555 2.166 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)NC[C@](C)(O)c3ccsc3)CC2)cc1 ZINC000740909505 1076288089 /nfs/dbraw/zinc/28/80/89/1076288089.db2.gz FYWKFGSBCQNYOF-NRFANRHFSA-N 1 1 418.563 2.086 20 10 HECDMO C[C@H](C(=O)N1CC(=O)Nc2ccccc21)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000741734407 1076613812 /nfs/dbraw/zinc/61/38/12/1076613812.db2.gz FCYHROJHUJBJSX-QGZVFWFLSA-N 1 1 408.502 2.329 20 10 HECDMO C[C@H](C(=O)N1CC(=O)Nc2ccccc21)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000741734407 1076613815 /nfs/dbraw/zinc/61/38/15/1076613815.db2.gz FCYHROJHUJBJSX-QGZVFWFLSA-N 1 1 408.502 2.329 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)c3ccc(F)c(NC(C)=O)c3)CC2)cc1 ZINC000742917263 1076897466 /nfs/dbraw/zinc/89/74/66/1076897466.db2.gz VMOBXMZJFVBLAG-UHFFFAOYSA-N 1 1 414.481 2.345 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)c3cc4c(C)nn(C)c4nc3C)CC2)cc1 ZINC000742920591 1076897670 /nfs/dbraw/zinc/89/76/70/1076897670.db2.gz KKSAPBIIOPAFNE-UHFFFAOYSA-N 1 1 422.533 2.146 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)NCc3ccc(Cl)nc3)CC2)cc1 ZINC000743363968 1077032978 /nfs/dbraw/zinc/03/29/78/1077032978.db2.gz YVVHQOGAQRJPRB-UHFFFAOYSA-N 1 1 403.914 2.365 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)N[C@@H]3[C@@H]4CCCO[C@H]4C3(C)C)CC2)cc1 ZINC000743566890 1077074198 /nfs/dbraw/zinc/07/41/98/1077074198.db2.gz KSOGCZUJHNFOCL-PWRODBHTSA-N 1 1 416.566 2.320 20 10 HECDMO COCC[N@H+]1CC[C@@H](NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1 ZINC000743626818 1077082960 /nfs/dbraw/zinc/08/29/60/1077082960.db2.gz NREPGVWNEDEOPR-JKSUJKDBSA-N 1 1 412.481 2.277 20 10 HECDMO CC[N@@H+](Cc1cc(Br)ccc1O)[C@@H](C)C(=O)N1CCC(C(N)=O)CC1 ZINC000743873043 1077157079 /nfs/dbraw/zinc/15/70/79/1077157079.db2.gz HFGLCNJBCDZTOK-LBPRGKRZSA-N 1 1 412.328 2.089 20 10 HECDMO COc1ccc(N2CCN(CCCNC(=O)N(C)[C@@H]3CC[N@H+](C)[C@@H](C)C3)CC2)cc1 ZINC000745350781 1077811610 /nfs/dbraw/zinc/81/16/10/1077811610.db2.gz NUCGTHFQSGPNJR-PZJWPPBQSA-N 1 1 417.598 2.331 20 10 HECDMO COc1ccc(N2CCN(CCCNC(=O)N(C)[C@@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)cc1 ZINC000745350781 1077811611 /nfs/dbraw/zinc/81/16/11/1077811611.db2.gz NUCGTHFQSGPNJR-PZJWPPBQSA-N 1 1 417.598 2.331 20 10 HECDMO CN(C)c1ccc(C[N@@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C2CC2)cc1 ZINC000771790846 1079508962 /nfs/dbraw/zinc/50/89/62/1079508962.db2.gz HNDBEYGKFSLQAD-UHFFFAOYSA-N 1 1 416.547 2.393 20 10 HECDMO CN1CCN(c2ccc(C[NH2+][C@@H]3CN(Cc4ccccc4)CC[C@H]3CO)cc2)CC1 ZINC000771841817 1079532655 /nfs/dbraw/zinc/53/26/55/1079532655.db2.gz LPSAJVTYXNGCHD-UKILVPOCSA-N 1 1 408.590 2.411 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)N[C@@H]3CCO[C@H](C(C)C)C3)CC2)cc1 ZINC000771953560 1079599992 /nfs/dbraw/zinc/59/99/92/1079599992.db2.gz QQWZUWRAVKPVGC-NQIIRXRSSA-N 1 1 404.555 2.320 20 10 HECDMO CCCN(Cc1ccccc1O)C(=O)C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000785868446 1080288962 /nfs/dbraw/zinc/28/89/62/1080288962.db2.gz DHZMNFDIHLODIJ-CALCHBBNSA-N 1 1 405.539 2.135 20 10 HECDMO CCCN(Cc1ccccc1O)C(=O)C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000785868446 1080288973 /nfs/dbraw/zinc/28/89/73/1080288973.db2.gz DHZMNFDIHLODIJ-CALCHBBNSA-N 1 1 405.539 2.135 20 10 HECDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC(n3cc([C@@H](C)O)nn3)C2)C1 ZINC000768186512 1080403372 /nfs/dbraw/zinc/40/33/72/1080403372.db2.gz XSXHWZKCYCPJLI-MRXNPFEDSA-N 1 1 422.533 2.136 20 10 HECDMO COC[C@@H]1CCCCN(C(=O)NCC[NH+]2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000768297771 1080469476 /nfs/dbraw/zinc/46/94/76/1080469476.db2.gz YACRVHPNNUJFBU-LJQANCHMSA-N 1 1 404.555 2.275 20 10 HECDMO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccc(N4CCOCC4)c(F)c3)CC2)cn1 ZINC000768302052 1080472843 /nfs/dbraw/zinc/47/28/43/1080472843.db2.gz FPEAYMYMAZXYNH-UHFFFAOYSA-N 1 1 401.442 2.288 20 10 HECDMO C[C@@H](C(=O)Nc1cccc(F)c1)N1CC[NH+](Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000768440193 1080560896 /nfs/dbraw/zinc/56/08/96/1080560896.db2.gz UCISVULOEJYISO-XOBRGWDASA-N 1 1 415.465 2.102 20 10 HECDMO CCC(CC)[C@H](CNC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1)[NH+]1CCOCC1 ZINC000786601187 1080702284 /nfs/dbraw/zinc/70/22/84/1080702284.db2.gz YPHTZLZZNKZGSV-UTKZUKDTSA-N 1 1 418.582 2.183 20 10 HECDMO O=C(CSc1nnnn1C1CC1)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000768911583 1080850313 /nfs/dbraw/zinc/85/03/13/1080850313.db2.gz FVMJCAHVCYBTTB-AWEZNQCLSA-N 1 1 422.942 2.240 20 10 HECDMO O=C(CSc1nnnn1C1CC1)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000768911583 1080850316 /nfs/dbraw/zinc/85/03/16/1080850316.db2.gz FVMJCAHVCYBTTB-AWEZNQCLSA-N 1 1 422.942 2.240 20 10 HECDMO CCc1nc([C@@H](C)NC(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)n[nH]1 ZINC000769058628 1080915182 /nfs/dbraw/zinc/91/51/82/1080915182.db2.gz YLROKMQZBANUOY-MRXNPFEDSA-N 1 1 411.554 2.460 20 10 HECDMO C[C@H](NC(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000787063956 1080975479 /nfs/dbraw/zinc/97/54/79/1080975479.db2.gz IROHRQXTWLGBLQ-MOPGFXCFSA-N 1 1 416.566 2.479 20 10 HECDMO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@H+](C)Cc2cc(Br)ccc2O)C1 ZINC000769301688 1081035445 /nfs/dbraw/zinc/03/54/45/1081035445.db2.gz CIEPGOONKQGWGF-CYBMUJFWSA-N 1 1 413.312 2.388 20 10 HECDMO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@@H+](C)Cc2cc(Br)ccc2O)C1 ZINC000769301688 1081035458 /nfs/dbraw/zinc/03/54/58/1081035458.db2.gz CIEPGOONKQGWGF-CYBMUJFWSA-N 1 1 413.312 2.388 20 10 HECDMO CCOC(=O)C1CCN(C(=O)C[N@H+](C)Cc2cc(Br)ccc2O)CC1 ZINC000769304662 1081037162 /nfs/dbraw/zinc/03/71/62/1081037162.db2.gz AGAWPDLMYFNFLS-UHFFFAOYSA-N 1 1 413.312 2.388 20 10 HECDMO CCOC(=O)C1CCN(C(=O)C[N@@H+](C)Cc2cc(Br)ccc2O)CC1 ZINC000769304662 1081037168 /nfs/dbraw/zinc/03/71/68/1081037168.db2.gz AGAWPDLMYFNFLS-UHFFFAOYSA-N 1 1 413.312 2.388 20 10 HECDMO C[C@H]1CCC[C@H](NC(=O)CN2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)C1 ZINC000769320449 1081041833 /nfs/dbraw/zinc/04/18/33/1081041833.db2.gz PKWSKUXKDAJKLT-UNMCSNQZSA-N 1 1 414.594 2.336 20 10 HECDMO CC[NH+]1CCN(C[C@H](C)CNC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)CC1 ZINC000745778544 1078638742 /nfs/dbraw/zinc/63/87/42/1078638742.db2.gz DIMPXHXVASKAHW-WOJBJXKFSA-N 1 1 417.598 2.157 20 10 HECDMO CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H]1CC[N@@H+](CCOC)C1 ZINC000745832284 1078667053 /nfs/dbraw/zinc/66/70/53/1078667053.db2.gz DDDYHHOYJQVEPG-HNNXBMFYSA-N 1 1 400.317 2.407 20 10 HECDMO COCC[NH+]1CCN(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1 ZINC000745906119 1078688509 /nfs/dbraw/zinc/68/85/09/1078688509.db2.gz WTSKNMDAYAGZLV-MRXNPFEDSA-N 1 1 412.481 2.230 20 10 HECDMO CN(C)c1ccc(CN(C)C(=O)CN2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000745948859 1078705732 /nfs/dbraw/zinc/70/57/32/1078705732.db2.gz XXBIWUHKOXZMEX-UHFFFAOYSA-N 1 1 402.583 2.288 20 10 HECDMO COc1ccc(N2CCC(NC(=O)N3CC[NH+](CCOC(C)C)CC3)CC2)cc1 ZINC000746417107 1078909275 /nfs/dbraw/zinc/90/92/75/1078909275.db2.gz KMVDCSNCAJTEIC-UHFFFAOYSA-N 1 1 404.555 2.416 20 10 HECDMO C[C@@H]1CN(c2ccc(CNC(=O)CN(C)CC[N@@H+](C)C3CC3)cc2F)C[C@@H](C)O1 ZINC000770686255 1078934698 /nfs/dbraw/zinc/93/46/98/1078934698.db2.gz XBCVKRADALMOIU-IAGOWNOFSA-N 1 1 406.546 2.082 20 10 HECDMO NC(=O)c1ccc(OCC(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)cc1 ZINC000771051881 1079114026 /nfs/dbraw/zinc/11/40/26/1079114026.db2.gz CKRMHAUQZWPHBB-KRWDZBQOSA-N 1 1 417.893 2.304 20 10 HECDMO C[C@H](NC(=O)NC(C)(C)CCN1CC[NH+](C)CC1)c1ccc(N2CCOCC2)cc1 ZINC000771308860 1079277606 /nfs/dbraw/zinc/27/76/06/1079277606.db2.gz BBCHZICQSJUAKW-IBGZPJMESA-N 1 1 417.598 2.300 20 10 HECDMO C[N@H+]1CCC[C@H]2CN(C(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)CC[C@H]21 ZINC000766878936 1079473786 /nfs/dbraw/zinc/47/37/86/1079473786.db2.gz KRHXVYCQKGQYMJ-FXAWDEMLSA-N 1 1 404.530 2.413 20 10 HECDMO COc1ccc(N2CC[NH+](CCCNS(=O)(=O)c3cccnc3Cl)CC2)cc1 ZINC000738353207 1075997259 /nfs/dbraw/zinc/99/72/59/1075997259.db2.gz OLBPVVGZNQMTNI-UHFFFAOYSA-N 1 1 424.954 2.234 20 10 HECDMO COc1ccc(N2CC[NH+](CCCNC(=O)N3CCN(C)C[C@@H]3C(C)C)CC2)cc1 ZINC000738970516 1076028098 /nfs/dbraw/zinc/02/80/98/1076028098.db2.gz QVMGCLHGIYPBRC-JOCHJYFZSA-N 1 1 417.598 2.189 20 10 HECDMO CCO[C@@H]1C[C@H]([N@@H+](C)CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1(C)C ZINC000740887210 1076286151 /nfs/dbraw/zinc/28/61/51/1076286151.db2.gz QUHDUZXCFPRESF-VQTJNVASSA-N 1 1 407.530 2.414 20 10 HECDMO C[C@@H]1CN(c2ccc(CNC(=O)C[N@@H+](CCCCO)C3CC3)cc2F)C[C@H](C)O1 ZINC000741250131 1076420143 /nfs/dbraw/zinc/42/01/43/1076420143.db2.gz INFRYKLSGMEMTE-CALCHBBNSA-N 1 1 407.530 2.292 20 10 HECDMO COc1ccc(CNC(=O)C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)cc1OC ZINC000741730873 1076610551 /nfs/dbraw/zinc/61/05/51/1076610551.db2.gz WMRIWCIVUPXYPB-UHFFFAOYSA-N 1 1 413.518 2.289 20 10 HECDMO COc1ccc(CNC(=O)C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)cc1OC ZINC000741730873 1076610557 /nfs/dbraw/zinc/61/05/57/1076610557.db2.gz WMRIWCIVUPXYPB-UHFFFAOYSA-N 1 1 413.518 2.289 20 10 HECDMO COc1ccc(NC(=O)NC(=O)C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000741736151 1076614826 /nfs/dbraw/zinc/61/48/26/1076614826.db2.gz OGYMDSLSMJHWTA-UHFFFAOYSA-N 1 1 412.490 2.312 20 10 HECDMO 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 1076628774 /nfs/dbraw/zinc/62/87/74/1076628774.db2.gz AZYHTTFVLTVODG-PNYFIKQUSA-N 1 1 420.573 2.470 20 10 HECDMO COc1ccc(N2CCN(CCCNC(=O)C3CC[NH+](C(C)C)CC3)CC2)cc1 ZINC000742241906 1076804308 /nfs/dbraw/zinc/80/43/08/1076804308.db2.gz WMJJJUYTROXLSJ-UHFFFAOYSA-N 1 1 402.583 2.444 20 10 HECDMO CS(=O)(=O)Nc1ccc(O)c(C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000742830152 1076887359 /nfs/dbraw/zinc/88/73/59/1076887359.db2.gz FHKRKAZMSWSBJA-QGZVFWFLSA-N 1 1 417.531 2.406 20 10 HECDMO COc1ccc(CNC(=S)NCC[NH+]2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000742911087 1076891142 /nfs/dbraw/zinc/89/11/42/1076891142.db2.gz RJTGKBQMNDVGDG-UHFFFAOYSA-N 1 1 414.575 2.490 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)NC[C@H]3Cc4ccccc4O3)CC2)cc1 ZINC000742939519 1076896548 /nfs/dbraw/zinc/89/65/48/1076896548.db2.gz HRTZJFCUHIQVIY-OAQYLSRUSA-N 1 1 410.518 2.120 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)C[C@@H]3OC(=O)c4ccccc43)CC2)cc1 ZINC000742916181 1076897175 /nfs/dbraw/zinc/89/71/75/1076897175.db2.gz DRNIADHFUSFFIF-NRFANRHFSA-N 1 1 409.486 2.235 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)CCc3nc(C(C)C)no3)CC2)cc1 ZINC000742919376 1076897650 /nfs/dbraw/zinc/89/76/50/1076897650.db2.gz HHKDZAAJIKMNFD-UHFFFAOYSA-N 1 1 401.511 2.073 20 10 HECDMO COc1ccc(N2CC[NH+](CCNc3ccc4nnc(C(F)(F)F)n4n3)CC2)cc1 ZINC000742928571 1076898646 /nfs/dbraw/zinc/89/86/46/1076898646.db2.gz WJNFDBZRAMVRIZ-UHFFFAOYSA-N 1 1 421.427 2.386 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)Nc3ccc(OC)nc3OC)CC2)cc1 ZINC000743315564 1077027423 /nfs/dbraw/zinc/02/74/23/1077027423.db2.gz XJFIEWXNIDVZAE-UHFFFAOYSA-N 1 1 415.494 2.051 20 10 HECDMO COc1ccc(N2CCN(CCNC(=O)NCCC[N@H+]3CCCC[C@H]3C)CC2)cc1 ZINC000743318696 1077028061 /nfs/dbraw/zinc/02/80/61/1077028061.db2.gz DMXZAMCOFDRUEA-HXUWFJFHSA-N 1 1 417.598 2.381 20 10 HECDMO CCc1cnc(CNC(=O)NCC[NH+]2CCN(c3ccc(OC)cc3)CC2)s1 ZINC000743567267 1077073930 /nfs/dbraw/zinc/07/39/30/1077073930.db2.gz OBGYMMABDCWGSG-UHFFFAOYSA-N 1 1 403.552 2.336 20 10 HECDMO CN(CC[C@@H]1CCCC[N@H+]1C)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000743855246 1077142692 /nfs/dbraw/zinc/14/26/92/1077142692.db2.gz IEVXFIOETZMZJS-IBGZPJMESA-N 1 1 406.546 2.085 20 10 HECDMO CC[N@@H+](CC(=O)N1CCC[C@H](NC(C)=O)C1)Cc1cc(Br)ccc1O ZINC000744425715 1077388907 /nfs/dbraw/zinc/38/89/07/1077388907.db2.gz KXLPDALEKKSJMH-INIZCTEOSA-N 1 1 412.328 2.104 20 10 HECDMO C[N@@H+](CCC(=O)N1CCN(c2ccccn2)CC1)Cc1ccc(N2CCOCC2)cc1 ZINC000744729566 1077558486 /nfs/dbraw/zinc/55/84/86/1077558486.db2.gz ZFRDKPXCPMABMQ-UHFFFAOYSA-N 1 1 423.561 2.089 20 10 HECDMO CN1CCN(c2ccc(C[NH2+][C@@H]3CC(=O)N(CCOc4ccccc4)C3)cc2)CC1 ZINC000771843101 1079533466 /nfs/dbraw/zinc/53/34/66/1079533466.db2.gz RLSRLWLZVDOELX-OAQYLSRUSA-N 1 1 408.546 2.208 20 10 HECDMO CN1CCN(c2ccc(C[NH2+][C@H]3CC(=O)N(CCOc4ccccc4)C3)cc2)CC1 ZINC000771843100 1079533610 /nfs/dbraw/zinc/53/36/10/1079533610.db2.gz RLSRLWLZVDOELX-NRFANRHFSA-N 1 1 408.546 2.208 20 10 HECDMO COc1cc(C[C@@H](CO)C[NH2+]Cc2ccc(N3CCN(C)CC3)cc2)cc(OC)c1 ZINC000771844421 1079534492 /nfs/dbraw/zinc/53/44/92/1079534492.db2.gz UUUJHHPIACUDDY-OAQYLSRUSA-N 1 1 413.562 2.396 20 10 HECDMO COc1ccc(N2CC[NH+](CCCNS(=O)(=O)CCc3cccs3)CC2)cc1 ZINC000767469618 1079870672 /nfs/dbraw/zinc/87/06/72/1079870672.db2.gz OUFTZJMCHDOEBN-UHFFFAOYSA-N 1 1 423.604 2.431 20 10 HECDMO CN1CCCc2cc(CNC(=O)C(=O)NCCC[N@@H+](C)Cc3ccccc3)ccc21 ZINC000785529247 1080038847 /nfs/dbraw/zinc/03/88/47/1080038847.db2.gz WEUWFOMTTXLVGU-UHFFFAOYSA-N 1 1 408.546 2.324 20 10 HECDMO COC(=O)c1ccc(-n2c(C)cc(C(=O)C[N@H+](C[C@@H](C)O)[C@H](C)CO)c2C)cc1 ZINC000785537518 1080047240 /nfs/dbraw/zinc/04/72/40/1080047240.db2.gz QHZCUVMHLYHKKW-HZPDHXFCSA-N 1 1 402.491 2.127 20 10 HECDMO COC(=O)c1ccc(-n2c(C)cc(C(=O)C[N@@H+](C[C@@H](C)O)[C@H](C)CO)c2C)cc1 ZINC000785537518 1080047251 /nfs/dbraw/zinc/04/72/51/1080047251.db2.gz QHZCUVMHLYHKKW-HZPDHXFCSA-N 1 1 402.491 2.127 20 10 HECDMO COc1ccc(N2CCN(C(=O)C[NH+]3CCC(O)(c4ccccc4)CC3)CC2)cc1 ZINC000767854961 1080177287 /nfs/dbraw/zinc/17/72/87/1080177287.db2.gz LIJJKNMTXKDCLG-UHFFFAOYSA-N 1 1 409.530 2.327 20 10 HECDMO COCC[C@H]1CCCC[N@@H+](C[C@H](O)CN2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000767943618 1080235923 /nfs/dbraw/zinc/23/59/23/1080235923.db2.gz ZZCLTZAHFYYLJR-IFMALSPDSA-N 1 1 405.583 2.317 20 10 HECDMO CS(=O)(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000768342932 1080499103 /nfs/dbraw/zinc/49/91/03/1080499103.db2.gz UKKZCNUHYARCOP-QGZVFWFLSA-N 1 1 410.540 2.489 20 10 HECDMO CS(=O)(=O)NC[C@H]1CCCC[N@H+]1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000768342932 1080499124 /nfs/dbraw/zinc/49/91/24/1080499124.db2.gz UKKZCNUHYARCOP-QGZVFWFLSA-N 1 1 410.540 2.489 20 10 HECDMO C[C@H](C(=O)Nc1cccc(F)c1)N1CC[NH+](Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000768440181 1080560717 /nfs/dbraw/zinc/56/07/17/1080560717.db2.gz UCISVULOEJYISO-JLTOFOAXSA-N 1 1 415.465 2.102 20 10 HECDMO COc1cc(O)c(C[NH+]2CCN([C@@H]3CCN(c4ccccc4)C3=O)CC2)cc1OC ZINC000768445783 1080565028 /nfs/dbraw/zinc/56/50/28/1080565028.db2.gz HYRFSIUZGNKQCO-LJQANCHMSA-N 1 1 411.502 2.333 20 10 HECDMO CCC(CC)[C@H](CNC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)[NH+]1CCOCC1 ZINC000786601189 1080702197 /nfs/dbraw/zinc/70/21/97/1080702197.db2.gz YPHTZLZZNKZGSV-UWJYYQICSA-N 1 1 418.582 2.183 20 10 HECDMO Cc1cc(C)n2nc(C(=O)N[C@@H]3CCC[N@H+](Cc4cc(Cl)ccc4O)C3)nc2n1 ZINC000768910892 1080850812 /nfs/dbraw/zinc/85/08/12/1080850812.db2.gz BDCLPKZQHHTCNR-MRXNPFEDSA-N 1 1 414.897 2.495 20 10 HECDMO Cc1cc(C)n2nc(C(=O)N[C@@H]3CCC[N@@H+](Cc4cc(Cl)ccc4O)C3)nc2n1 ZINC000768910892 1080850815 /nfs/dbraw/zinc/85/08/15/1080850815.db2.gz BDCLPKZQHHTCNR-MRXNPFEDSA-N 1 1 414.897 2.495 20 10 HECDMO C[C@@H](Sc1nncn1C)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000768913279 1080853171 /nfs/dbraw/zinc/85/31/71/1080853171.db2.gz XSKFYNJXRJNGBN-IUODEOHRSA-N 1 1 409.943 2.436 20 10 HECDMO C[C@@H](Sc1nncn1C)C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000768913279 1080853176 /nfs/dbraw/zinc/85/31/76/1080853176.db2.gz XSKFYNJXRJNGBN-IUODEOHRSA-N 1 1 409.943 2.436 20 10 HECDMO CCCN(CCC)c1ccc(C[NH+]2CCN(C(=O)CN3C(=O)CCC3=O)CC2)cc1 ZINC000768921067 1080859021 /nfs/dbraw/zinc/85/90/21/1080859021.db2.gz XKZLAKGPGWYKEU-UHFFFAOYSA-N 1 1 414.550 2.106 20 10 HECDMO CCOC(=O)c1cnn2c1[nH]c(COC(=O)[C@H]1CCC[N@H+]1C1CCCC1)cc2=O ZINC000786880356 1080884389 /nfs/dbraw/zinc/88/43/89/1080884389.db2.gz INNTZBIGGXYTNS-MRXNPFEDSA-N 1 1 402.451 2.062 20 10 HECDMO COc1cc(Br)cc(C[N@@H+]2CCCC[C@@H]2C(=O)N2CCOCC2)c1O ZINC000769309783 1081038705 /nfs/dbraw/zinc/03/87/05/1081038705.db2.gz BFZSRJFRYZMBLP-OAHLLOKOSA-N 1 1 413.312 2.377 20 10 HECDMO COc1cc(Br)cc(C[N@H+]2CCCC[C@@H]2C(=O)N2CCOCC2)c1O ZINC000769309783 1081038715 /nfs/dbraw/zinc/03/87/15/1081038715.db2.gz BFZSRJFRYZMBLP-OAHLLOKOSA-N 1 1 413.312 2.377 20 10 HECDMO C[C@@H]1CCC[C@H](NC(=O)CN2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)C1 ZINC000769320447 1081041748 /nfs/dbraw/zinc/04/17/48/1081041748.db2.gz PKWSKUXKDAJKLT-IRLDBZIGSA-N 1 1 414.594 2.336 20 10 HECDMO CCNC(=O)NC(=O)[C@@H](C)OC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000769664497 1078505018 /nfs/dbraw/zinc/50/50/18/1078505018.db2.gz FIAHCZKZOUFWMJ-OAHLLOKOSA-N 1 1 414.506 2.185 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)NCC3(CCO)CCCC3)CC2)cc1 ZINC000745784595 1078641968 /nfs/dbraw/zinc/64/19/68/1078641968.db2.gz YSNSXKFCHDUBJU-UHFFFAOYSA-N 1 1 404.555 2.059 20 10 HECDMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000745795718 1078651135 /nfs/dbraw/zinc/65/11/35/1078651135.db2.gz JOTGNSZOIPGNNR-LJQANCHMSA-N 1 1 402.539 2.013 20 10 HECDMO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000745826787 1078665909 /nfs/dbraw/zinc/66/59/09/1078665909.db2.gz DKGARGLYDORHDV-OAQYLSRUSA-N 1 1 417.598 2.079 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)c3cn(C)nc3-c3ccncc3)CC2)cc1 ZINC000745866582 1078667347 /nfs/dbraw/zinc/66/73/47/1078667347.db2.gz IAQGQSPVHSABCZ-UHFFFAOYSA-N 1 1 420.517 2.043 20 10 HECDMO CN(C(=O)c1cc(NS(C)(=O)=O)ccc1O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000770009536 1078685432 /nfs/dbraw/zinc/68/54/32/1078685432.db2.gz JQINQXZGGFRFAH-KRWDZBQOSA-N 1 1 403.504 2.110 20 10 HECDMO C[C@H](NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H]1C[N@H+](C)CCO1 ZINC000770124738 1078740169 /nfs/dbraw/zinc/74/01/69/1078740169.db2.gz ROQSDQBGQUZCEB-RLFYNMQTSA-N 1 1 412.481 2.275 20 10 HECDMO C[C@H](NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000770124738 1078740172 /nfs/dbraw/zinc/74/01/72/1078740172.db2.gz ROQSDQBGQUZCEB-RLFYNMQTSA-N 1 1 412.481 2.275 20 10 HECDMO COc1cc(Br)cc(C[N@@H+](C)C2CCN(S(C)(=O)=O)CC2)c1O ZINC000770325853 1078828763 /nfs/dbraw/zinc/82/87/63/1078828763.db2.gz SLSCKQYEZCSOAQ-UHFFFAOYSA-N 1 1 407.330 2.019 20 10 HECDMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000770344445 1078837457 /nfs/dbraw/zinc/83/74/57/1078837457.db2.gz KSYBLDPJMAJACG-SFHVURJKSA-N 1 1 405.612 2.065 20 10 HECDMO COc1ccc(S(=O)(=O)N2CCC[N@H+](Cc3c(O)cccc3OC)CC2)cc1 ZINC000770356418 1078839838 /nfs/dbraw/zinc/83/98/38/1078839838.db2.gz VUUMUSYINRDIBS-UHFFFAOYSA-N 1 1 406.504 2.306 20 10 HECDMO COc1ccc(S(=O)(=O)N2CCC[N@@H+](Cc3c(O)cccc3OC)CC2)cc1 ZINC000770356418 1078839839 /nfs/dbraw/zinc/83/98/39/1078839839.db2.gz VUUMUSYINRDIBS-UHFFFAOYSA-N 1 1 406.504 2.306 20 10 HECDMO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000804277506 1079008094 /nfs/dbraw/zinc/00/80/94/1079008094.db2.gz DIDWVNQEODWFKV-HXUWFJFHSA-N 1 1 408.546 2.316 20 10 HECDMO O=C(N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)c1cnc2c(c1)NC(=O)CO2 ZINC000770790793 1079018221 /nfs/dbraw/zinc/01/82/21/1079018221.db2.gz GLISWPOMNBYOEJ-OAHLLOKOSA-N 1 1 416.865 2.166 20 10 HECDMO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@H](Cn1cccn1)c1ccccc1)cc2=O ZINC000746468623 1079018451 /nfs/dbraw/zinc/01/84/51/1079018451.db2.gz HNWPEAUFEVZQKN-GOSISDBHSA-N 1 1 406.446 2.339 20 10 HECDMO COc1ccc(N2CCC(NC(=O)C(=O)NC[C@H](C)[N@H+]3CCC[C@H](C)C3)CC2)cc1 ZINC000804318273 1079235789 /nfs/dbraw/zinc/23/57/89/1079235789.db2.gz GCFHGMYNSBBOGI-ROUUACIJSA-N 1 1 416.566 2.017 20 10 HECDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCC[C@@H](c3nnc4ccccn43)C1)cc2=O ZINC000738317782 1075988758 /nfs/dbraw/zinc/98/87/58/1075988758.db2.gz NSNNIAFRZJYJJN-CQSZACIVSA-N 1 1 421.461 2.034 20 10 HECDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCC[C@H](c3nnc4ccccn43)C1)cc2=O ZINC000738317781 1075988846 /nfs/dbraw/zinc/98/88/46/1075988846.db2.gz NSNNIAFRZJYJJN-AWEZNQCLSA-N 1 1 421.461 2.034 20 10 HECDMO CCN1CCN(c2ccc(CNC(=O)N3CC[N@H+](C)C[C@@H]3C(C)C)cc2F)CC1 ZINC000739006807 1076030235 /nfs/dbraw/zinc/03/02/35/1076030235.db2.gz ZZCQKSKKVVIAIM-OAQYLSRUSA-N 1 1 405.562 2.449 20 10 HECDMO CCN1CCN(c2ccc(CNC(=O)N3CC[N@@H+](C)C[C@@H]3C(C)C)cc2F)CC1 ZINC000739006807 1076030245 /nfs/dbraw/zinc/03/02/45/1076030245.db2.gz ZZCQKSKKVVIAIM-OAQYLSRUSA-N 1 1 405.562 2.449 20 10 HECDMO CC[N@H+]1CC[C@@H](N(C)CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C[C@H]1C ZINC000740883386 1076282176 /nfs/dbraw/zinc/28/21/76/1076282176.db2.gz OFVSQODQPPOPMP-IEBWSBKVSA-N 1 1 406.546 2.083 20 10 HECDMO CCO[C@@H]1C[C@@H]([N@@H+](C)CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1(C)C ZINC000740887211 1076285987 /nfs/dbraw/zinc/28/59/87/1076285987.db2.gz QUHDUZXCFPRESF-WOJBJXKFSA-N 1 1 407.530 2.414 20 10 HECDMO COc1ccc(N2CCN(C(=O)COC(=O)[C@H](C)[NH+]3CCCCCC3)CC2)cc1 ZINC000741028820 1076343329 /nfs/dbraw/zinc/34/33/29/1076343329.db2.gz IZLACKLHMFLUNK-SFHVURJKSA-N 1 1 403.523 2.152 20 10 HECDMO O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741180996 1076397298 /nfs/dbraw/zinc/39/72/98/1076397298.db2.gz NFZJGVAOSNKECP-QFIPXVFZSA-N 1 1 413.493 2.180 20 10 HECDMO O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741180996 1076397301 /nfs/dbraw/zinc/39/73/01/1076397301.db2.gz NFZJGVAOSNKECP-QFIPXVFZSA-N 1 1 413.493 2.180 20 10 HECDMO O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741216814 1076407478 /nfs/dbraw/zinc/40/74/78/1076407478.db2.gz MXVDVSKCKCNSBB-XMMPIXPASA-N 1 1 423.557 2.413 20 10 HECDMO O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741216814 1076407480 /nfs/dbraw/zinc/40/74/80/1076407480.db2.gz MXVDVSKCKCNSBB-XMMPIXPASA-N 1 1 423.557 2.413 20 10 HECDMO C[C@@H]1CN(c2ccc(CNC(=O)CN(C)C[C@@H]3CCC[N@@H+](C)C3)cc2F)C[C@H](C)O1 ZINC000741249158 1076436391 /nfs/dbraw/zinc/43/63/91/1076436391.db2.gz CPQQKQPAPGORCA-WSTZPKSXSA-N 1 1 420.573 2.329 20 10 HECDMO COc1cc(N(C)CC(=O)N2CC[NH+](Cc3ccccc3)CC2)cc(OC)c1OC ZINC000741795953 1076632885 /nfs/dbraw/zinc/63/28/85/1076632885.db2.gz WMSDJWQSSLIWKL-UHFFFAOYSA-N 1 1 413.518 2.493 20 10 HECDMO CN(C)c1ccc([C@H](CNC(=O)CC[NH+]2CCOCC2)NC(=O)OC(C)(C)C)cc1 ZINC000742753866 1076877277 /nfs/dbraw/zinc/87/72/77/1076877277.db2.gz MGKXBUBWEZTZFT-IBGZPJMESA-N 1 1 420.554 2.157 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)NC[C@@H]3CC3(Cl)Cl)CC2)cc1 ZINC000742939455 1076896583 /nfs/dbraw/zinc/89/65/83/1076896583.db2.gz GBNUGEQMGVRLMS-AWEZNQCLSA-N 1 1 401.338 2.310 20 10 HECDMO COCCOc1ccccc1C(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000742916040 1076897202 /nfs/dbraw/zinc/89/72/02/1076897202.db2.gz AELMSOZMJQRJFY-UHFFFAOYSA-N 1 1 413.518 2.272 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)c3cccc(N4CCCC4=O)c3)CC2)cc1 ZINC000742927439 1076898531 /nfs/dbraw/zinc/89/85/31/1076898531.db2.gz QZNHVNLZQHIXTM-UHFFFAOYSA-N 1 1 422.529 2.374 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)NCc3c(C)cc(C)[nH]c3=O)CC2)cc1 ZINC000743359816 1077031834 /nfs/dbraw/zinc/03/18/34/1077031834.db2.gz XYKOCGVXYUVVHT-UHFFFAOYSA-N 1 1 413.522 2.034 20 10 HECDMO COc1ccc(N2CCN(CCNC(=O)NC[C@@H](C)[N@H+]3CCCC[C@@H]3C)CC2)cc1 ZINC000743362687 1077032726 /nfs/dbraw/zinc/03/27/26/1077032726.db2.gz HUIHYIXHYGLJRZ-VQTJNVASSA-N 1 1 417.598 2.379 20 10 HECDMO C[N@H+](CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)[C@H](CCO)c1ccccc1 ZINC000743856408 1077143643 /nfs/dbraw/zinc/14/36/43/1077143643.db2.gz JNFARPCTMJITJQ-OAQYLSRUSA-N 1 1 415.509 2.334 20 10 HECDMO C[N@@H+](CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)[C@H](CCO)c1ccccc1 ZINC000743856408 1077143649 /nfs/dbraw/zinc/14/36/49/1077143649.db2.gz JNFARPCTMJITJQ-OAQYLSRUSA-N 1 1 415.509 2.334 20 10 HECDMO COc1ccc(N2CC[NH+](CCNC(=O)N[C@H](CCO)C3CCCCC3)CC2)cc1 ZINC000766913220 1079504170 /nfs/dbraw/zinc/50/41/70/1079504170.db2.gz DTHHGCCQKKEUHY-JOCHJYFZSA-N 1 1 418.582 2.448 20 10 HECDMO C[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C[C@H]1n1ccnc1 ZINC000767432025 1079860387 /nfs/dbraw/zinc/86/03/87/1079860387.db2.gz DSDUQNUQYQJJIS-DYESRHJHSA-N 1 1 415.513 2.058 20 10 HECDMO CS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000772599979 1080002073 /nfs/dbraw/zinc/00/20/73/1080002073.db2.gz QBKARMPFNPZQIN-QGZVFWFLSA-N 1 1 410.540 2.346 20 10 HECDMO CS(=O)(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000772599979 1080002082 /nfs/dbraw/zinc/00/20/82/1080002082.db2.gz QBKARMPFNPZQIN-QGZVFWFLSA-N 1 1 410.540 2.346 20 10 HECDMO Cc1cc(C(=O)C[N@@H+](C[C@H](C)O)[C@@H](C)CO)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000785533400 1080043433 /nfs/dbraw/zinc/04/34/33/1080043433.db2.gz DVADZXRFHXENTM-HOTGVXAUSA-N 1 1 402.491 2.112 20 10 HECDMO Cc1cc(C(=O)C[N@H+](C[C@H](C)O)[C@@H](C)CO)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000785533400 1080043444 /nfs/dbraw/zinc/04/34/44/1080043444.db2.gz DVADZXRFHXENTM-HOTGVXAUSA-N 1 1 402.491 2.112 20 10 HECDMO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000785870099 1080290160 /nfs/dbraw/zinc/29/01/60/1080290160.db2.gz NEZBIQOBZRCRSZ-HDICACEKSA-N 1 1 418.582 2.105 20 10 HECDMO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000785870099 1080290175 /nfs/dbraw/zinc/29/01/75/1080290175.db2.gz NEZBIQOBZRCRSZ-HDICACEKSA-N 1 1 418.582 2.105 20 10 HECDMO CN(C)c1ccc(C[NH+]2CCN(Cc3cc(=O)n4ccsc4n3)CC2)cc1F ZINC000768215328 1080418657 /nfs/dbraw/zinc/41/86/57/1080418657.db2.gz SPVRUZIUUOZHMO-UHFFFAOYSA-N 1 1 401.511 2.279 20 10 HECDMO COc1cc(O)c(C[NH+]2CCN(Cc3ccc4c(c3)OCCO4)CC2)cc1OC ZINC000768441429 1080562469 /nfs/dbraw/zinc/56/24/69/1080562469.db2.gz HVQAQZZOHXFHPP-UHFFFAOYSA-N 1 1 400.475 2.498 20 10 HECDMO COc1cc(O)c(C[N@@H+]2CCCN(S(=O)(=O)c3ccccc3)CC2)cc1OC ZINC000768443802 1080563352 /nfs/dbraw/zinc/56/33/52/1080563352.db2.gz UEGCJXQGGQUAFH-UHFFFAOYSA-N 1 1 406.504 2.306 20 10 HECDMO COc1cc(O)c(C[N@H+]2CCCN(S(=O)(=O)c3ccccc3)CC2)cc1OC ZINC000768443802 1080563362 /nfs/dbraw/zinc/56/33/62/1080563362.db2.gz UEGCJXQGGQUAFH-UHFFFAOYSA-N 1 1 406.504 2.306 20 10 HECDMO COc1cc(O)c(C[N@@H+]2CCC[C@@H](NS(=O)(=O)c3cccc(F)c3)C2)cc1OC ZINC000768447621 1080566232 /nfs/dbraw/zinc/56/62/32/1080566232.db2.gz AJCPQAZPBJXVAY-MRXNPFEDSA-N 1 1 424.494 2.491 20 10 HECDMO COc1cc(O)c(C[N@H+]2CCC[C@@H](NS(=O)(=O)c3cccc(F)c3)C2)cc1OC ZINC000768447621 1080566244 /nfs/dbraw/zinc/56/62/44/1080566244.db2.gz AJCPQAZPBJXVAY-MRXNPFEDSA-N 1 1 424.494 2.491 20 10 HECDMO CCO[C@H](C)c1noc(CN2CC[NH+](Cc3cc(OC)c(OC)cc3O)CC2)n1 ZINC000768464852 1080584997 /nfs/dbraw/zinc/58/49/97/1080584997.db2.gz BQGBJLMVVTWWSN-CQSZACIVSA-N 1 1 406.483 2.208 20 10 HECDMO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000768465304 1080585736 /nfs/dbraw/zinc/58/57/36/1080585736.db2.gz GFNAUEDECQQLQM-LRDDRELGSA-N 1 1 402.413 2.441 20 10 HECDMO O=C(CNC(=O)NCc1ccco1)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000768912622 1080851355 /nfs/dbraw/zinc/85/13/55/1080851355.db2.gz PXPOBWCGIMEXKH-MRXNPFEDSA-N 1 1 420.897 2.219 20 10 HECDMO O=C(N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)c1sccc1-n1cnnn1 ZINC000768914590 1080854369 /nfs/dbraw/zinc/85/43/69/1080854369.db2.gz FPDNGTQYUZDXKY-AWEZNQCLSA-N 1 1 418.910 2.477 20 10 HECDMO C[C@H](NC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000787063957 1080975694 /nfs/dbraw/zinc/97/56/94/1080975694.db2.gz IROHRQXTWLGBLQ-OALUTQOASA-N 1 1 416.566 2.479 20 10 HECDMO Cc1ccc(S(=O)(=O)NCCN2CC[NH+](Cc3cc(Cl)ccc3O)CC2)cc1 ZINC000769379859 1081057992 /nfs/dbraw/zinc/05/79/92/1081057992.db2.gz QJNNHROMZUUJBO-UHFFFAOYSA-N 1 1 423.966 2.450 20 10 HECDMO