smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN1C(=O)[C@H]2C[N@H+](Cc3cc(Br)cc(C)c3O)CCN2C1=O ZINC000378444631 532287573 /nfs/dbraw/zinc/28/75/73/532287573.db2.gz XSEANOCSPZDKLZ-CYBMUJFWSA-N 1 1 382.258 1.931 20 10 GDCDMO CCN1C(=O)[C@H]2C[N@@H+](Cc3cc(Br)cc(C)c3O)CCN2C1=O ZINC000378444631 532287575 /nfs/dbraw/zinc/28/75/75/532287575.db2.gz XSEANOCSPZDKLZ-CYBMUJFWSA-N 1 1 382.258 1.931 20 10 GDCDMO C[C@@H](CNC(=O)NCc1cc(Br)ccc1O)CN1CC[NH+](C)CC1 ZINC000805180123 655030749 /nfs/dbraw/zinc/03/07/49/655030749.db2.gz CWPMUWRJMAMYAU-ZDUSSCGKSA-N 1 1 399.333 1.837 20 10 GDCDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(Cc2c(O)cccc2Br)CC1 ZINC000862250682 655843309 /nfs/dbraw/zinc/84/33/09/655843309.db2.gz OGCMHJYOAOHFCR-OAHLLOKOSA-N 1 1 382.302 1.893 20 10 GDCDMO Cc1cc(Br)cc([C@@H](C)[NH2+]Cc2nnc3n2CCNC3=O)c1O ZINC000883303922 657280726 /nfs/dbraw/zinc/28/07/26/657280726.db2.gz JQCVDAJSIMGHCW-SECBINFHSA-N 1 1 380.246 1.649 20 10 GDCDMO CC[N@H+](CC(=O)NCC(=O)N1CCCC1)Cc1cc(Br)ccc1O ZINC000174424865 530647659 /nfs/dbraw/zinc/64/76/59/530647659.db2.gz OHEVCZQGJYTYKP-UHFFFAOYSA-N 1 1 398.301 1.715 20 10 GDCDMO CC[N@@H+](CC(=O)NCC(=O)N1CCCC1)Cc1cc(Br)ccc1O ZINC000174424865 530647662 /nfs/dbraw/zinc/64/76/62/530647662.db2.gz OHEVCZQGJYTYKP-UHFFFAOYSA-N 1 1 398.301 1.715 20 10 GDCDMO O=C(CN1CSCC1=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000363709660 531503237 /nfs/dbraw/zinc/50/32/37/531503237.db2.gz MMKCFKBJWZVQDJ-CQSZACIVSA-N 1 1 383.901 1.659 20 10 GDCDMO CC(=O)NCC(=O)N1CCC[N@H+](Cc2ccc(Br)cc2O)CC1 ZINC000529666566 649950567 /nfs/dbraw/zinc/95/05/67/649950567.db2.gz WGAXNZNGZXYEET-UHFFFAOYSA-N 1 1 384.274 1.325 20 10 GDCDMO CC(=O)NCC(=O)N1CCC[N@@H+](Cc2ccc(Br)cc2O)CC1 ZINC000529666566 649950568 /nfs/dbraw/zinc/95/05/68/649950568.db2.gz WGAXNZNGZXYEET-UHFFFAOYSA-N 1 1 384.274 1.325 20 10 GDCDMO O=C(NCCCSc1nccs1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000841858250 655354169 /nfs/dbraw/zinc/35/41/69/655354169.db2.gz VPBCQDDJVWFBDA-CYBMUJFWSA-N 1 1 383.543 1.231 20 10 GDCDMO Cc1cc(Br)c(O)c(C[NH2+]CCS(=O)(=O)N=S(C)(C)=O)c1 ZINC000922494033 656484776 /nfs/dbraw/zinc/48/47/76/656484776.db2.gz YGBJJVMGYTXLQT-UHFFFAOYSA-N 1 1 399.332 1.610 20 10 GDCDMO O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)[C@@H]1CSC[NH2+]1 ZINC000178716949 530726194 /nfs/dbraw/zinc/72/61/94/530726194.db2.gz MHUMOBAQLWQOOA-AWEZNQCLSA-N 1 1 375.416 1.821 20 10 GDCDMO CO[C@H](C)CS(=O)(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000374230909 532115294 /nfs/dbraw/zinc/11/52/94/532115294.db2.gz PDXYMONWRZTLLC-DOMZBBRYSA-N 1 1 376.906 1.964 20 10 GDCDMO CO[C@H](C)CS(=O)(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000374230909 532115295 /nfs/dbraw/zinc/11/52/95/532115295.db2.gz PDXYMONWRZTLLC-DOMZBBRYSA-N 1 1 376.906 1.964 20 10 GDCDMO C[C@@H]([NH2+]CCN1CCN(S(C)(=O)=O)CC1)c1cc(Cl)c(Cl)cc1O ZINC000774168661 654614694 /nfs/dbraw/zinc/61/46/94/654614694.db2.gz FDQFFJAPUMOTSV-LLVKDONJSA-N 1 1 396.340 1.927 20 10 GDCDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NCCCSc2nccs2)C1 ZINC000806278896 655062071 /nfs/dbraw/zinc/06/20/71/655062071.db2.gz YXDULNOHSVDDMB-ZIAGYGMSSA-N 1 1 382.555 1.684 20 10 GDCDMO CNS(=O)(=O)C[C@H]1CCC[N@H+](Cc2cccc(Br)c2O)C1 ZINC000862550125 655847199 /nfs/dbraw/zinc/84/71/99/655847199.db2.gz BWEXBGBMZOAFHJ-NSHDSACASA-N 1 1 377.304 1.916 20 10 GDCDMO CNS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000862550125 655847200 /nfs/dbraw/zinc/84/72/00/655847200.db2.gz BWEXBGBMZOAFHJ-NSHDSACASA-N 1 1 377.304 1.916 20 10 GDCDMO O=S(=O)(C[C@H]1CCOC1)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000364435741 531565227 /nfs/dbraw/zinc/56/52/27/531565227.db2.gz XWMRHEDEDOZTAW-BBRMVZONSA-N 1 1 388.917 1.966 20 10 GDCDMO O=S(=O)(C[C@H]1CCOC1)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000364435741 531565235 /nfs/dbraw/zinc/56/52/35/531565235.db2.gz XWMRHEDEDOZTAW-BBRMVZONSA-N 1 1 388.917 1.966 20 10 GDCDMO COCC[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cc2c(cc1O)OC[C@H]2O ZINC000826159189 608546585 /nfs/dbraw/zinc/54/65/85/608546585.db2.gz VZZWGJKBNREDFI-GOSISDBHSA-N 1 1 397.435 1.647 20 10 GDCDMO O=C(NCc1cccc(Br)c1O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000764777854 655222984 /nfs/dbraw/zinc/22/29/84/655222984.db2.gz HIFMCBXQOQYRGC-STQMWFEESA-N 1 1 384.274 1.817 20 10 GDCDMO COC(=O)CNC(=O)[C@H]1CCC[N@@H+]1Cc1cc(Br)cc(C)c1O ZINC000841892629 655354610 /nfs/dbraw/zinc/35/46/10/655354610.db2.gz OSDDSSYDWYAWJM-CYBMUJFWSA-N 1 1 385.258 1.717 20 10 GDCDMO COC(=O)CNC(=O)[C@H]1CCC[N@H+]1Cc1cc(Br)cc(C)c1O ZINC000841892629 655354612 /nfs/dbraw/zinc/35/46/12/655354612.db2.gz OSDDSSYDWYAWJM-CYBMUJFWSA-N 1 1 385.258 1.717 20 10 GDCDMO C[C@@H]([NH2+][C@@H]1CCN(S(C)(=O)=O)C1)c1cc(Br)c(F)cc1O ZINC000846191328 655449560 /nfs/dbraw/zinc/44/95/60/655449560.db2.gz YAIWOMWEWPRTFT-RKDXNWHRSA-N 1 1 381.267 1.978 20 10 GDCDMO COC(=O)c1cn([C@H]2CC[N@@H+](Cc3ccc(Br)cc3O)C2)nn1 ZINC000825514659 655490307 /nfs/dbraw/zinc/49/03/07/655490307.db2.gz RHTOBNRVIVVBME-LBPRGKRZSA-N 1 1 381.230 1.980 20 10 GDCDMO COc1ccc(N2CC[NH+](C[C@@H](O)Cn3ccnc3Br)CC2)cc1 ZINC000899896282 659064787 /nfs/dbraw/zinc/06/47/87/659064787.db2.gz BTTWEMYBNLVTIZ-OAHLLOKOSA-N 1 1 395.301 1.837 20 10 GDCDMO COc1c(O)c(C[NH2+]CCNS(=O)(=O)c2cccs2)ccc1[N+](=O)[O-] ZINC000278471197 531363473 /nfs/dbraw/zinc/36/34/73/531363473.db2.gz HDGYLHKQNULIMB-UHFFFAOYSA-N 1 1 387.439 1.439 20 10 GDCDMO Cc1cc(C)c(O)c(C[N@@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@H]2C)c1 ZINC000826263436 607846458 /nfs/dbraw/zinc/84/64/58/607846458.db2.gz BNQIWMZEZAUUAO-CQSZACIVSA-N 1 1 380.456 1.690 20 10 GDCDMO CS(=O)(=O)NCCC(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000771057383 654528703 /nfs/dbraw/zinc/52/87/03/654528703.db2.gz INZASHOAHXFPLP-AWEZNQCLSA-N 1 1 389.905 1.066 20 10 GDCDMO CC[N@@H+](CCC(=O)N(C)CC(=O)OC)Cc1cc(Br)ccc1O ZINC000743871127 654720870 /nfs/dbraw/zinc/72/08/70/654720870.db2.gz RTWXFBMNQZOOND-UHFFFAOYSA-N 1 1 387.274 1.998 20 10 GDCDMO O=C(NCCCSc1nccs1)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000806282370 655062855 /nfs/dbraw/zinc/06/28/55/655062855.db2.gz WLGYFRYMANRWJI-AWEZNQCLSA-N 1 1 382.555 1.875 20 10 GDCDMO CNS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2O)C1 ZINC000862552134 655847385 /nfs/dbraw/zinc/84/73/85/655847385.db2.gz UBXWDENSCAKNGX-LLVKDONJSA-N 1 1 377.304 1.916 20 10 GDCDMO C[NH+]1CCN(c2ccc(C[NH2+][C@H](CC3CCOCC3)C(=O)[O-])cc2F)CC1 ZINC001598625112 994074424 /nfs/dbraw/zinc/07/44/24/994074424.db2.gz YTGRRHVNAJLPJW-GOSISDBHSA-N 1 1 379.476 1.937 20 10 GDCDMO CS(=O)(=O)NC[C@H]1CCC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000772601494 654566261 /nfs/dbraw/zinc/56/62/61/654566261.db2.gz SFXGIDCXMNAOPM-LLVKDONJSA-N 1 1 377.304 1.916 20 10 GDCDMO CNS(=O)(=O)C[C@H]1CCC[N@H+]1Cc1cc(Br)cc(C)c1O ZINC000775734346 654673974 /nfs/dbraw/zinc/67/39/74/654673974.db2.gz ODPKKMJPNICOMK-CYBMUJFWSA-N 1 1 377.304 1.977 20 10 GDCDMO CN(C)S(=O)(=O)CC(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000752595526 654931324 /nfs/dbraw/zinc/93/13/24/654931324.db2.gz GPCBVSXAFPWVTR-CQSZACIVSA-N 1 1 389.905 1.018 20 10 GDCDMO CN(C)S(=O)(=O)CC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000752595526 654931329 /nfs/dbraw/zinc/93/13/29/654931329.db2.gz GPCBVSXAFPWVTR-CQSZACIVSA-N 1 1 389.905 1.018 20 10 GDCDMO C[C@H](CNC(=O)C(=O)NCCCSc1nccs1)[N@H+]1CCC[C@H](C)C1 ZINC000806280738 655062567 /nfs/dbraw/zinc/06/25/67/655062567.db2.gz TUCRNMUUHFGZKM-UONOGXRCSA-N 1 1 384.571 1.978 20 10 GDCDMO C[C@H]([NH2+]C[C@@]1(O)CCS(=O)(=O)C1)c1cc(Br)c(F)cc1O ZINC000834871435 655081681 /nfs/dbraw/zinc/08/16/81/655081681.db2.gz OZNNBMZXCSIAAH-SDBXPKJASA-N 1 1 382.251 1.494 20 10 GDCDMO O=C(NCCCSc1nccs1)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000848935220 655502197 /nfs/dbraw/zinc/50/21/97/655502197.db2.gz KEUCUFJPTMBNPK-ZIAGYGMSSA-N 1 1 382.555 1.875 20 10 GDCDMO O=C(N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)[C@@H]1CSCC(=O)N1 ZINC000934941050 657386741 /nfs/dbraw/zinc/38/67/41/657386741.db2.gz WAVUKTQOPVGKGM-KGLIPLIRSA-N 1 1 383.901 1.358 20 10 GDCDMO O=S(=O)([C@@H]1CCCN(Cc2cc(F)cc(F)c2O)C1)N1CCOCC1 ZINC000894426901 658555885 /nfs/dbraw/zinc/55/58/85/658555885.db2.gz GPFUFAIFQAAVCH-CQSZACIVSA-N 1 1 376.425 1.297 20 10 GDCDMO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(Cc2cccc(Br)c2O)CC1 ZINC000093821213 644592694 /nfs/dbraw/zinc/59/26/94/644592694.db2.gz WUBAFWLFIJJGFI-HNNXBMFYSA-N 1 1 382.302 1.893 20 10 GDCDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(Cc2cccc(Br)c2O)CC1 ZINC000093821213 644592698 /nfs/dbraw/zinc/59/26/98/644592698.db2.gz WUBAFWLFIJJGFI-HNNXBMFYSA-N 1 1 382.302 1.893 20 10 GDCDMO COc1cc(Br)cc(C[N@@H+]2CCC[C@H]2CS(N)(=O)=O)c1O ZINC000769428177 654463989 /nfs/dbraw/zinc/46/39/89/654463989.db2.gz MUSIAZMOQZCJAT-NSHDSACASA-N 1 1 379.276 1.416 20 10 GDCDMO COc1cc(Br)cc(C[N@H+]2CCC[C@H]2CS(N)(=O)=O)c1O ZINC000769428177 654463993 /nfs/dbraw/zinc/46/39/93/654463993.db2.gz MUSIAZMOQZCJAT-NSHDSACASA-N 1 1 379.276 1.416 20 10 GDCDMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)NCCCSc2nccs2)C1 ZINC000759581157 655089858 /nfs/dbraw/zinc/08/98/58/655089858.db2.gz KXVAWBQXPQXOTF-CYBMUJFWSA-N 1 1 385.559 1.512 20 10 GDCDMO O=C([C@@H]1CCC[N@H+](Cc2cccc(Br)c2[O-])C1)N1CC[NH2+]CC1 ZINC000843047091 655387350 /nfs/dbraw/zinc/38/73/50/655387350.db2.gz NUHNHJLEGIYLFQ-CQSZACIVSA-N 1 1 382.302 1.799 20 10 GDCDMO C[C@H]([NH2+]Cc1nnc2c(=O)n(C)ccn12)c1cc(Br)ccc1O ZINC000883334647 657282342 /nfs/dbraw/zinc/28/23/42/657282342.db2.gz DYRLHWHFDBQFAF-VIFPVBQESA-N 1 1 378.230 1.747 20 10 GDCDMO O=S(=O)([C@H]1CCCN(Cc2cc(F)cc(F)c2O)C1)N1CCOCC1 ZINC000894426900 658556013 /nfs/dbraw/zinc/55/60/13/658556013.db2.gz GPFUFAIFQAAVCH-AWEZNQCLSA-N 1 1 376.425 1.297 20 10 GDCDMO Cn1cc(S(=O)(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)cn1 ZINC000161826947 530563552 /nfs/dbraw/zinc/56/35/52/530563552.db2.gz SINNAKGYNNDJGF-CQSZACIVSA-N 1 1 384.889 1.722 20 10 GDCDMO Cn1cc(S(=O)(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)cn1 ZINC000161826947 530563555 /nfs/dbraw/zinc/56/35/55/530563555.db2.gz SINNAKGYNNDJGF-CQSZACIVSA-N 1 1 384.889 1.722 20 10 GDCDMO COc1cc(Br)cc(C[N@H+](C)CCN2CCCS2(=O)=O)c1O ZINC000769559761 654468970 /nfs/dbraw/zinc/46/89/70/654468970.db2.gz XSJNXLSQECJVEG-UHFFFAOYSA-N 1 1 393.303 1.631 20 10 GDCDMO COc1cc(Br)cc(C[N@@H+](C)CCN2CCCS2(=O)=O)c1O ZINC000769559761 654468974 /nfs/dbraw/zinc/46/89/74/654468974.db2.gz XSJNXLSQECJVEG-UHFFFAOYSA-N 1 1 393.303 1.631 20 10 GDCDMO Cn1cnc(S(=O)(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)c1 ZINC000751373133 654885137 /nfs/dbraw/zinc/88/51/37/654885137.db2.gz RRVSIVIGRKRSIN-AWEZNQCLSA-N 1 1 384.889 1.722 20 10 GDCDMO Cn1cnc(S(=O)(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)c1 ZINC000751373133 654885143 /nfs/dbraw/zinc/88/51/43/654885143.db2.gz RRVSIVIGRKRSIN-AWEZNQCLSA-N 1 1 384.889 1.722 20 10 GDCDMO CC(C)NS(=O)(=O)NCC[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000760045749 655100295 /nfs/dbraw/zinc/10/02/95/655100295.db2.gz IVUZSMPWQNIJLV-VIFPVBQESA-N 1 1 398.298 1.777 20 10 GDCDMO COC(=O)c1cn([C@@H]2CC[N@@H+](Cc3ccc(Br)cc3O)C2)nn1 ZINC000825514658 655490342 /nfs/dbraw/zinc/49/03/42/655490342.db2.gz RHTOBNRVIVVBME-GFCCVEGCSA-N 1 1 381.230 1.980 20 10 GDCDMO NC(=O)c1ccc(N2CC[NH+](Cc3c(O)cccc3Br)CC2)nc1 ZINC000862222423 655842573 /nfs/dbraw/zinc/84/25/73/655842573.db2.gz YPYQTBHHEGYLLE-UHFFFAOYSA-N 1 1 391.269 1.971 20 10 GDCDMO Cc1cccc(NCCNC(=O)C(=O)NCCCSc2nccs2)[nH+]1 ZINC000930198628 657007017 /nfs/dbraw/zinc/00/70/17/657007017.db2.gz RWKROSMSMUMILN-UHFFFAOYSA-N 1 1 379.511 1.673 20 10 GDCDMO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+]Cc3ccc(-c4nn[nH]n4)o3)cc2)C1 ZINC000822860465 599413373 /nfs/dbraw/zinc/41/33/73/599413373.db2.gz VURATIISEWLZML-CQSZACIVSA-N 1 1 381.440 1.451 20 10 GDCDMO Cc1cc(Br)c(O)c(C[N@@H+]2CCC[C@H](CS(N)(=O)=O)C2)c1 ZINC000781909097 654820202 /nfs/dbraw/zinc/82/02/02/654820202.db2.gz CZICSXWIRLQZBL-NSHDSACASA-N 1 1 377.304 1.964 20 10 GDCDMO Cc1cc(Br)c(O)c(C[N@H+]2CCC[C@H](CS(N)(=O)=O)C2)c1 ZINC000781909097 654820204 /nfs/dbraw/zinc/82/02/04/654820204.db2.gz CZICSXWIRLQZBL-NSHDSACASA-N 1 1 377.304 1.964 20 10 GDCDMO O=C(NCc1cc(Br)ccc1O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000805075638 655021715 /nfs/dbraw/zinc/02/17/15/655021715.db2.gz ZREMWBLAPSOQQS-KGLIPLIRSA-N 1 1 384.274 1.817 20 10 GDCDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NCCCSc2nccs2)C1 ZINC000806279583 655062349 /nfs/dbraw/zinc/06/23/49/655062349.db2.gz SPPNLPFUZATGGM-CQSZACIVSA-N 1 1 384.571 1.932 20 10 GDCDMO C[NH+]1CCN(C(=O)CCNC(=O)NCc2cc(Br)ccc2O)CC1 ZINC000806390527 655064273 /nfs/dbraw/zinc/06/42/73/655064273.db2.gz KRWQACCRERKZDA-UHFFFAOYSA-N 1 1 399.289 1.118 20 10 GDCDMO COC(=O)CC1([NH2+]Cc2c(O)ccc(Cl)c2F)CCS(=O)(=O)CC1 ZINC000792180783 655087620 /nfs/dbraw/zinc/08/76/20/655087620.db2.gz UMKLFWRZCOZSKX-UHFFFAOYSA-N 1 1 379.837 1.785 20 10 GDCDMO COC(=O)CNC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(Br)cc(C)c1O ZINC000841892630 655354621 /nfs/dbraw/zinc/35/46/21/655354621.db2.gz OSDDSSYDWYAWJM-ZDUSSCGKSA-N 1 1 385.258 1.717 20 10 GDCDMO COC(=O)CNC(=O)[C@@H]1CCC[N@H+]1Cc1cc(Br)cc(C)c1O ZINC000841892630 655354622 /nfs/dbraw/zinc/35/46/22/655354622.db2.gz OSDDSSYDWYAWJM-ZDUSSCGKSA-N 1 1 385.258 1.717 20 10 GDCDMO CN(C)c1ccc(C[NH2+]C2CN(S(=O)(=O)N(C)C)C2)c(C(F)(F)F)c1 ZINC000858314163 655747030 /nfs/dbraw/zinc/74/70/30/655747030.db2.gz MTOSUWREXQAKFQ-UHFFFAOYSA-N 1 1 380.436 1.352 20 10 GDCDMO O=C(NCCCSc1nccs1)C(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000875218642 656521037 /nfs/dbraw/zinc/52/10/37/656521037.db2.gz FPPUSZWSCAZYCE-CQSZACIVSA-N 1 1 382.555 1.875 20 10 GDCDMO CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)NC[C@@H]1CC[N@@H+]1CC ZINC000910699557 659979933 /nfs/dbraw/zinc/97/99/33/659979933.db2.gz LSAKDNGCFXEVNN-AWEZNQCLSA-N 1 1 398.301 1.714 20 10 GDCDMO CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)NC[C@@H]1CC[N@H+]1CC ZINC000910699557 659979936 /nfs/dbraw/zinc/97/99/36/659979936.db2.gz LSAKDNGCFXEVNN-AWEZNQCLSA-N 1 1 398.301 1.714 20 10 GDCDMO Oc1cc2c(cc1C[NH+]1CCN(c3ccc(-c4nn[nH]n4)cc3F)CC1)OCO2 ZINC000738396499 598235246 /nfs/dbraw/zinc/23/52/46/598235246.db2.gz ILODMNYQTPJTMX-UHFFFAOYSA-N 1 1 398.398 1.762 20 10 GDCDMO NC(=O)[C@H]1CCCN(c2ccc(C[NH2+]Cc3ccc(-c4nn[nH]n4)o3)cc2)C1 ZINC000822860464 599413744 /nfs/dbraw/zinc/41/37/44/599413744.db2.gz VURATIISEWLZML-AWEZNQCLSA-N 1 1 381.440 1.451 20 10 GDCDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)NCCCSc2nccs2)C1 ZINC000806275533 655061633 /nfs/dbraw/zinc/06/16/33/655061633.db2.gz KBSBEQKIUWVBNL-CQSZACIVSA-N 1 1 384.571 1.836 20 10 GDCDMO CNS(=O)(=O)NC1CC[NH+](Cc2ccc(Br)cc2O)CC1 ZINC000825743998 655493282 /nfs/dbraw/zinc/49/32/82/655493282.db2.gz DLIQWVNANPXHRD-UHFFFAOYSA-N 1 1 378.292 1.173 20 10 GDCDMO COC(=O)[C@@]1(C[NH2+]Cc2cc(F)c(N(C)C)cc2F)C[C@@H]1S(C)(=O)=O ZINC000895510035 658706705 /nfs/dbraw/zinc/70/67/05/658706705.db2.gz FYZYNABHCHTQCC-GOEBONIOSA-N 1 1 376.425 1.097 20 10 GDCDMO C[NH+]1CCN(c2ncc(C[NH2+]Cc3cccc(Br)c3[O-])cn2)CC1 ZINC000278415460 531359264 /nfs/dbraw/zinc/35/92/64/531359264.db2.gz QSUJSXRFAZCTQG-UHFFFAOYSA-N 1 1 392.301 1.986 20 10 GDCDMO O=C(NCc1cc(Br)ccc1O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000805075639 655021767 /nfs/dbraw/zinc/02/17/67/655021767.db2.gz ZREMWBLAPSOQQS-UONOGXRCSA-N 1 1 384.274 1.817 20 10 GDCDMO COCC(COC)[NH+]1CCN(C(=O)NCCCSc2nccs2)CC1 ZINC000840325517 655283956 /nfs/dbraw/zinc/28/39/56/655283956.db2.gz XLUIMGIUBUOEHM-UHFFFAOYSA-N 1 1 388.559 1.614 20 10 GDCDMO CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000842270779 655360733 /nfs/dbraw/zinc/36/07/33/655360733.db2.gz GCWQLZKCRPFHIV-UHFFFAOYSA-N 1 1 394.216 1.213 20 10 GDCDMO O=C1CC[C@@H]([NH+]2CCN(Cc3cccc(Br)c3O)CC2)CCN1 ZINC000825147193 655484813 /nfs/dbraw/zinc/48/48/13/655484813.db2.gz CVOYSJSMLKIITM-CQSZACIVSA-N 1 1 382.302 1.941 20 10 GDCDMO CC[N@H+](Cc1cc(Br)ccc1O)Cc1cc(=O)n(C)c(=O)n1C ZINC000174423457 530647937 /nfs/dbraw/zinc/64/79/37/530647937.db2.gz WVSSEFCRMSFHNU-UHFFFAOYSA-N 1 1 382.258 1.574 20 10 GDCDMO CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000266870088 531375423 /nfs/dbraw/zinc/37/54/23/531375423.db2.gz UOPXKKXPFQMWGE-HNNXBMFYSA-N 1 1 399.333 1.932 20 10 GDCDMO Cc1cc(Br)cc(C[N@H+]2CCC[C@H](CS(N)(=O)=O)C2)c1O ZINC000271764714 532051655 /nfs/dbraw/zinc/05/16/55/532051655.db2.gz ZRWSKMHKOBUYJT-NSHDSACASA-N 1 1 377.304 1.964 20 10 GDCDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(Cc2cc(Br)ccc2O)CC1 ZINC000093820858 644592626 /nfs/dbraw/zinc/59/26/26/644592626.db2.gz NYHXQPLQTGVTHM-HNNXBMFYSA-N 1 1 382.302 1.893 20 10 GDCDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCCCSc2nccs2)C1 ZINC000806279582 655062134 /nfs/dbraw/zinc/06/21/34/655062134.db2.gz SPPNLPFUZATGGM-AWEZNQCLSA-N 1 1 384.571 1.932 20 10 GDCDMO Oc1ccc(Br)cc1CNC(=S)NCCC[NH+]1CCOCC1 ZINC000795153828 655164327 /nfs/dbraw/zinc/16/43/27/655164327.db2.gz HYWQEFWIQLWWOR-UHFFFAOYSA-N 1 1 388.331 1.841 20 10 GDCDMO O=C1CC[C@H]([NH+]2CCN(Cc3cccc(Br)c3O)CC2)CCN1 ZINC000825147192 655484753 /nfs/dbraw/zinc/48/47/53/655484753.db2.gz CVOYSJSMLKIITM-AWEZNQCLSA-N 1 1 382.302 1.941 20 10 GDCDMO CC[C@H]([NH2+]Cc1nnc2n1CCNC2=O)c1cc(Br)ccc1O ZINC000883303833 657280482 /nfs/dbraw/zinc/28/04/82/657280482.db2.gz HNXBAWFTGWNHRE-NSHDSACASA-N 1 1 380.246 1.731 20 10 GDCDMO CN(C)c1ccc([C@@H](CNCc2ccc(S(N)(=O)=O)s2)[NH+](C)C)cc1 ZINC000898447420 658936128 /nfs/dbraw/zinc/93/61/28/658936128.db2.gz JUBSHMRUGJDGKW-MRXNPFEDSA-N 1 1 382.555 1.854 20 10 GDCDMO Cc1cc(O)c(C[N@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@@H]2C)cc1C ZINC000822210920 606769608 /nfs/dbraw/zinc/76/96/08/606769608.db2.gz WMGWLZBIESUOQK-AWEZNQCLSA-N 1 1 380.456 1.690 20 10 GDCDMO Cc1cc(O)c(C[N@@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@@H]2C)cc1C ZINC000822210920 606769609 /nfs/dbraw/zinc/76/96/09/606769609.db2.gz WMGWLZBIESUOQK-AWEZNQCLSA-N 1 1 380.456 1.690 20 10 GDCDMO C[N@H+](Cc1ccc(N2CCOCC2)cc1)C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821610989 606883629 /nfs/dbraw/zinc/88/36/29/606883629.db2.gz MUBZOTDBLIRAPL-FQEVSTJZSA-N 1 1 394.479 1.869 20 10 GDCDMO CNS(=O)(=O)C[C@H]1CCC[N@H+]1Cc1cc(Br)cc(OC)c1O ZINC000769532063 654468445 /nfs/dbraw/zinc/46/84/45/654468445.db2.gz HHDMINXFSLRETA-GFCCVEGCSA-N 1 1 393.303 1.677 20 10 GDCDMO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1cc(Br)cc(OC)c1O ZINC000769532063 654468442 /nfs/dbraw/zinc/46/84/42/654468442.db2.gz HHDMINXFSLRETA-GFCCVEGCSA-N 1 1 393.303 1.677 20 10 GDCDMO COc1ccc(N2CC[NH+](CCNC(=S)NCC(F)(F)F)CC2)cc1 ZINC000751007799 654868032 /nfs/dbraw/zinc/86/80/32/654868032.db2.gz OPQZZIZICVVYRH-UHFFFAOYSA-N 1 1 376.448 1.844 20 10 GDCDMO CN(C)S(=O)(=O)CC(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000752595522 654931268 /nfs/dbraw/zinc/93/12/68/654931268.db2.gz GPCBVSXAFPWVTR-AWEZNQCLSA-N 1 1 389.905 1.018 20 10 GDCDMO CN(C)S(=O)(=O)CC(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000752595522 654931270 /nfs/dbraw/zinc/93/12/70/654931270.db2.gz GPCBVSXAFPWVTR-AWEZNQCLSA-N 1 1 389.905 1.018 20 10 GDCDMO C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)NCCCSc3nccs3)CC[C@H]21 ZINC000806281504 655062575 /nfs/dbraw/zinc/06/25/75/655062575.db2.gz ALJZMJKHMZISTQ-UONOGXRCSA-N 1 1 382.555 1.684 20 10 GDCDMO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)c(Cl)c1 ZINC000840938242 655304952 /nfs/dbraw/zinc/30/49/52/655304952.db2.gz ZYZRLJJGZHGTRR-CQSZACIVSA-N 1 1 388.917 1.980 20 10 GDCDMO Cc1cc(O)c(C[N@H+]2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)c(Cl)c1 ZINC000840938242 655304957 /nfs/dbraw/zinc/30/49/57/655304957.db2.gz ZYZRLJJGZHGTRR-CQSZACIVSA-N 1 1 388.917 1.980 20 10 GDCDMO COc1cc(Br)cc(C[N@H+]2CCC[C@H](N3CCNCC3=O)C2)c1O ZINC000843065366 655387727 /nfs/dbraw/zinc/38/77/27/655387727.db2.gz LGGJJLUQKZIFDZ-AWEZNQCLSA-N 1 1 398.301 1.560 20 10 GDCDMO Cc1cc(Br)cc(CN2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1O ZINC000872255875 656321777 /nfs/dbraw/zinc/32/17/77/656321777.db2.gz NOMNZZUVDSADSQ-KFWWJZLASA-N 1 1 396.285 1.830 20 10 GDCDMO CN(C)c1ccc([C@H](CNCc2ccc(S(N)(=O)=O)s2)[NH+](C)C)cc1 ZINC000898447419 658936226 /nfs/dbraw/zinc/93/62/26/658936226.db2.gz JUBSHMRUGJDGKW-INIZCTEOSA-N 1 1 382.555 1.854 20 10 GDCDMO COc1cc(Br)cc(C[NH+]2CCC(S(N)(=O)=O)CC2)c1O ZINC000369051944 531938102 /nfs/dbraw/zinc/93/81/02/531938102.db2.gz QQTLXNORWZVVMN-UHFFFAOYSA-N 1 1 379.276 1.416 20 10 GDCDMO CN(CC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)S(C)(=O)=O ZINC000370693800 645697433 /nfs/dbraw/zinc/69/74/33/645697433.db2.gz GGHIDJSLKNHXPB-CQSZACIVSA-N 1 1 389.905 1.018 20 10 GDCDMO CS(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000772601495 654566182 /nfs/dbraw/zinc/56/61/82/654566182.db2.gz SFXGIDCXMNAOPM-NSHDSACASA-N 1 1 377.304 1.916 20 10 GDCDMO C[NH+](C)[C@H](CNC(=O)C(=O)NCCCSc1nccs1)c1ccco1 ZINC000774827736 654641643 /nfs/dbraw/zinc/64/16/43/654641643.db2.gz SJBOMDRJXGIQMZ-GFCCVEGCSA-N 1 1 382.511 1.754 20 10 GDCDMO C[N@H+]1CCN(CCNC(=O)NCc2cc(Br)ccc2O)CC1(C)C ZINC000805446206 655038253 /nfs/dbraw/zinc/03/82/53/655038253.db2.gz LNBDQACPVQECDX-UHFFFAOYSA-N 1 1 399.333 1.980 20 10 GDCDMO CN1CCN(Cc2cc(Br)cc(Br)c2O)[C@@H](C[NH3+])C1 ZINC000843122041 655388944 /nfs/dbraw/zinc/38/89/44/655388944.db2.gz NZPUICXUXMYCDY-NSHDSACASA-N 1 1 393.123 1.992 20 10 GDCDMO CCN(Cc1cc(Br)ccc1O)C(=O)C1CN(C)CC[N@@H+](C)C1 ZINC000906993615 659637131 /nfs/dbraw/zinc/63/71/31/659637131.db2.gz JTHBBWWZJHXCRM-UHFFFAOYSA-N 1 1 384.318 1.997 20 10 GDCDMO CCOc1ccc(O)c(C[N@@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@@H]2C)c1 ZINC000825643041 608839167 /nfs/dbraw/zinc/83/91/67/608839167.db2.gz GLZQGZRAYAFQIQ-ZDUSSCGKSA-N 1 1 396.455 1.472 20 10 GDCDMO CCOc1ccc(O)c(C[N@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@@H]2C)c1 ZINC000825643041 608839169 /nfs/dbraw/zinc/83/91/69/608839169.db2.gz GLZQGZRAYAFQIQ-ZDUSSCGKSA-N 1 1 396.455 1.472 20 10 GDCDMO COc1ccc(N2CC[NH+](C[C@@H](O)CSc3nnc(N)s3)CC2)cc1 ZINC000758209051 655054077 /nfs/dbraw/zinc/05/40/77/655054077.db2.gz YUZZPKAKCDYDMU-CYBMUJFWSA-N 1 1 381.527 1.404 20 10 GDCDMO CS(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2O)C1 ZINC000824473513 655475793 /nfs/dbraw/zinc/47/57/93/655475793.db2.gz BMLXFBFNPXTLMG-NSHDSACASA-N 1 1 377.304 1.916 20 10 GDCDMO COc1cc(Br)cc(C[N@H+]2CC[C@@H](CS(N)(=O)=O)C2)c1O ZINC000897057413 658821694 /nfs/dbraw/zinc/82/16/94/658821694.db2.gz BGAOYJPVWGQDNZ-SECBINFHSA-N 1 1 379.276 1.274 20 10 GDCDMO CCNS(=O)(=O)[C@@H]1CC[N@H+](Cc2cc(Br)cc(OC)c2O)C1 ZINC000181556411 530786803 /nfs/dbraw/zinc/78/68/03/530786803.db2.gz UUQAHNIZZYYJGJ-GFCCVEGCSA-N 1 1 393.303 1.677 20 10 GDCDMO CCNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cc(Br)cc(OC)c2O)C1 ZINC000181556411 530786804 /nfs/dbraw/zinc/78/68/04/530786804.db2.gz UUQAHNIZZYYJGJ-GFCCVEGCSA-N 1 1 393.303 1.677 20 10 GDCDMO CNS(=O)(=O)[C@@H]1CCC[N@H+](Cc2cc(Br)cc(C)c2O)C1 ZINC000362237090 531458621 /nfs/dbraw/zinc/45/86/21/531458621.db2.gz ISROARUFXPCKIN-CYBMUJFWSA-N 1 1 377.304 1.977 20 10 GDCDMO CNS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2cc(Br)cc(C)c2O)C1 ZINC000362237090 531458624 /nfs/dbraw/zinc/45/86/24/531458624.db2.gz ISROARUFXPCKIN-CYBMUJFWSA-N 1 1 377.304 1.977 20 10 GDCDMO Oc1cc2c(cc1C[N@@H+]1CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C1)[C@H](O)CO2 ZINC000826510665 608547048 /nfs/dbraw/zinc/54/70/48/608547048.db2.gz DKHRTRHWNJLVTP-MJGOQNOKSA-N 1 1 395.419 1.572 20 10 GDCDMO Oc1cc2c(cc1C[N@H+]1CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C1)[C@H](O)CO2 ZINC000826510665 608547050 /nfs/dbraw/zinc/54/70/50/608547050.db2.gz DKHRTRHWNJLVTP-MJGOQNOKSA-N 1 1 395.419 1.572 20 10 GDCDMO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000824999543 608834331 /nfs/dbraw/zinc/83/43/31/608834331.db2.gz HLZOAKYVKBUYSQ-AWEZNQCLSA-N 1 1 379.472 1.433 20 10 GDCDMO CN(C)CC[NH+]1CCC(NC(=O)NCc2cc(Br)ccc2O)CC1 ZINC000806372126 655063735 /nfs/dbraw/zinc/06/37/35/655063735.db2.gz QEWVIEQMCINQEJ-UHFFFAOYSA-N 1 1 399.333 1.980 20 10 GDCDMO Cc1cc(Br)c(O)c(C[NH2+]C[C@@]23COCCN2C(=O)COC3)c1 ZINC000865795710 655926825 /nfs/dbraw/zinc/92/68/25/655926825.db2.gz LOTCWSFJLITKFH-INIZCTEOSA-N 1 1 385.258 1.181 20 10 GDCDMO COc1cc(C)cc(C[N@@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@@H]2C)c1O ZINC000826178416 607846328 /nfs/dbraw/zinc/84/63/28/607846328.db2.gz XFQZTHVLTSLNDR-ZDUSSCGKSA-N 1 1 396.455 1.390 20 10 GDCDMO COc1cc(C)cc(C[N@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@@H]2C)c1O ZINC000826178416 607846329 /nfs/dbraw/zinc/84/63/29/607846329.db2.gz XFQZTHVLTSLNDR-ZDUSSCGKSA-N 1 1 396.455 1.390 20 10 GDCDMO Cc1cc(Br)c(O)c(C[NH2+]CC2(O)CCS(=O)(=O)CC2)c1 ZINC000781631487 654811668 /nfs/dbraw/zinc/81/16/68/654811668.db2.gz LLHXNKHKFXZNTM-UHFFFAOYSA-N 1 1 378.288 1.492 20 10 GDCDMO O=C(NCCCSc1nccs1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000841858253 655354156 /nfs/dbraw/zinc/35/41/56/655354156.db2.gz VPBCQDDJVWFBDA-ZDUSSCGKSA-N 1 1 383.543 1.231 20 10 GDCDMO C[C@@H]([NH2+]C[C@]12COCCN1C(=O)COC2)c1cc(Cl)c(Cl)cc1O ZINC000866552374 655949015 /nfs/dbraw/zinc/94/90/15/655949015.db2.gz IGPZTOLPFICNAV-QLJPJBMISA-N 1 1 375.252 1.977 20 10 GDCDMO CC[N@@H+](Cc1cc(Br)ccc1O)Cc1cn(C)c(=O)n(C)c1=O ZINC000093866972 530814085 /nfs/dbraw/zinc/81/40/85/530814085.db2.gz ZMDOIWKCCFIMQU-UHFFFAOYSA-N 1 1 382.258 1.574 20 10 GDCDMO Cn1nccc1S(=O)(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000364024583 531529799 /nfs/dbraw/zinc/52/97/99/531529799.db2.gz ZKVIOEXYLUMNKX-CQSZACIVSA-N 1 1 384.889 1.722 20 10 GDCDMO Cn1nccc1S(=O)(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000364024583 531529808 /nfs/dbraw/zinc/52/98/08/531529808.db2.gz ZKVIOEXYLUMNKX-CQSZACIVSA-N 1 1 384.889 1.722 20 10 GDCDMO COc1cc(Br)cc(C[N@@H+]2CC[C@@H](NS(C)(=O)=O)C2)c1O ZINC000093530839 644591760 /nfs/dbraw/zinc/59/17/60/644591760.db2.gz WEERFGAJRZHBEE-LLVKDONJSA-N 1 1 379.276 1.287 20 10 GDCDMO COc1cc(Br)cc(C[N@H+]2CC[C@@H](NS(C)(=O)=O)C2)c1O ZINC000093530839 644591761 /nfs/dbraw/zinc/59/17/61/644591761.db2.gz WEERFGAJRZHBEE-LLVKDONJSA-N 1 1 379.276 1.287 20 10 GDCDMO COc1cc(Br)cc(C[N@H+]2CCC[C@H](CS(N)(=O)=O)C2)c1O ZINC000769385046 654458132 /nfs/dbraw/zinc/45/81/32/654458132.db2.gz SFMBOHRJJSWSSI-JTQLQIEISA-N 1 1 393.303 1.664 20 10 GDCDMO Cc1cc(Br)c(O)c(C[N@@H+]2CCC[C@@H](CS(N)(=O)=O)C2)c1 ZINC000781909095 654820179 /nfs/dbraw/zinc/82/01/79/654820179.db2.gz CZICSXWIRLQZBL-LLVKDONJSA-N 1 1 377.304 1.964 20 10 GDCDMO Cc1cc(Br)c(O)c(C[N@H+]2CCC[C@@H](CS(N)(=O)=O)C2)c1 ZINC000781909095 654820180 /nfs/dbraw/zinc/82/01/80/654820180.db2.gz CZICSXWIRLQZBL-LLVKDONJSA-N 1 1 377.304 1.964 20 10 GDCDMO C[NH+]1CCN(c2ccc(CNCc3ccc(S(N)(=O)=O)s3)cc2)CC1 ZINC000883283662 657279475 /nfs/dbraw/zinc/27/94/75/657279475.db2.gz NNEWZTKDGZNNKY-UHFFFAOYSA-N 1 1 380.539 1.437 20 10 GDCDMO COc1cc(Br)cc(C[N@@H+]2CCC[C@]3(C2)NC(=O)NC3=O)c1O ZINC000366048834 531704135 /nfs/dbraw/zinc/70/41/35/531704135.db2.gz KAJIMYRVZRMUMW-OAHLLOKOSA-N 1 1 384.230 1.337 20 10 GDCDMO COc1cc(Br)cc(C[N@H+]2CCC[C@]3(C2)NC(=O)NC3=O)c1O ZINC000366048834 531704145 /nfs/dbraw/zinc/70/41/45/531704145.db2.gz KAJIMYRVZRMUMW-OAHLLOKOSA-N 1 1 384.230 1.337 20 10 GDCDMO CS(=O)(=O)NCCC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000771057385 654528783 /nfs/dbraw/zinc/52/87/83/654528783.db2.gz INZASHOAHXFPLP-CQSZACIVSA-N 1 1 389.905 1.066 20 10 GDCDMO [O-]c1c(F)cc(Br)cc1CN1CCC(O)(COCCO)CC1 ZINC000895828402 658732462 /nfs/dbraw/zinc/73/24/62/658732462.db2.gz IYDXCEAORKMEHX-UHFFFAOYSA-N 1 1 378.238 1.630 20 10 GDCDMO Cc1cc(Br)c(O)c(C[NH2+]CC[C@H]2CNCCS2(=O)=O)c1 ZINC000903969321 659391275 /nfs/dbraw/zinc/39/12/75/659391275.db2.gz WPPJTZWZKIDACS-LBPRGKRZSA-N 1 1 377.304 1.329 20 10 GDCDMO CNC(=O)C[NH+]1CCC(NC(=O)NCc2cccc(Br)c2O)CC1 ZINC000278417539 531359117 /nfs/dbraw/zinc/35/91/17/531359117.db2.gz QIXIPSDWWGGCNW-UHFFFAOYSA-N 1 1 399.289 1.164 20 10 GDCDMO Cc1cc(C)c(O)c(C[N@@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@@H]2C)c1 ZINC000826263435 607846585 /nfs/dbraw/zinc/84/65/85/607846585.db2.gz BNQIWMZEZAUUAO-AWEZNQCLSA-N 1 1 380.456 1.690 20 10 GDCDMO CCOc1ccc(C[N@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@@H]2C)c(O)c1 ZINC000825639444 608834832 /nfs/dbraw/zinc/83/48/32/608834832.db2.gz WDCCITDZLONOFA-ZDUSSCGKSA-N 1 1 396.455 1.472 20 10 GDCDMO CCOc1ccc(O)c(C[N@@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@H]2C)c1 ZINC000825643040 608839797 /nfs/dbraw/zinc/83/97/97/608839797.db2.gz GLZQGZRAYAFQIQ-CYBMUJFWSA-N 1 1 396.455 1.472 20 10 GDCDMO CCOc1ccc(O)c(C[N@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@H]2C)c1 ZINC000825643040 608839799 /nfs/dbraw/zinc/83/97/99/608839799.db2.gz GLZQGZRAYAFQIQ-CYBMUJFWSA-N 1 1 396.455 1.472 20 10 GDCDMO Cc1nn(C)c(Cl)c1C[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000776174410 654684361 /nfs/dbraw/zinc/68/43/61/654684361.db2.gz NRCAUYIAWALJDB-UHFFFAOYSA-N 1 1 382.917 1.907 20 10 GDCDMO O=S(=O)(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)N1CCOCC1 ZINC000751372254 654885164 /nfs/dbraw/zinc/88/51/64/654885164.db2.gz MPNBWZMVGRCLDA-OAHLLOKOSA-N 1 1 389.905 1.177 20 10 GDCDMO O=S(=O)(N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)N1CCOCC1 ZINC000751372254 654885170 /nfs/dbraw/zinc/88/51/70/654885170.db2.gz MPNBWZMVGRCLDA-OAHLLOKOSA-N 1 1 389.905 1.177 20 10 GDCDMO C[C@@H]([NH2+]CC1(O)CCS(=O)(=O)CC1)c1cc(Br)c(F)cc1O ZINC000756612788 655024347 /nfs/dbraw/zinc/02/43/47/655024347.db2.gz YEDUSPSPEYDZBO-SECBINFHSA-N 1 1 396.278 1.884 20 10 GDCDMO C[C@H](CNC(=O)NCc1cc(Br)ccc1O)CN1CC[NH+](C)CC1 ZINC000805180122 655030790 /nfs/dbraw/zinc/03/07/90/655030790.db2.gz CWPMUWRJMAMYAU-CYBMUJFWSA-N 1 1 399.333 1.837 20 10 GDCDMO COC(=O)c1cn([C@H]2CC[N@H+](Cc3cccc(Br)c3O)C2)nn1 ZINC000761225984 655138291 /nfs/dbraw/zinc/13/82/91/655138291.db2.gz LIZJVLMZFSDDOG-NSHDSACASA-N 1 1 381.230 1.980 20 10 GDCDMO COC(=O)c1cn([C@H]2CC[N@@H+](Cc3cccc(Br)c3O)C2)nn1 ZINC000761225984 655138296 /nfs/dbraw/zinc/13/82/96/655138296.db2.gz LIZJVLMZFSDDOG-NSHDSACASA-N 1 1 381.230 1.980 20 10 GDCDMO CCN(CC)c1ccc(C[NH2+]CCS(=O)(=O)N=S(C)(C)=O)cc1F ZINC000922492349 656483168 /nfs/dbraw/zinc/48/31/68/656483168.db2.gz QADBWYAGZLLICF-UHFFFAOYSA-N 1 1 379.523 1.819 20 10 GDCDMO Cc1cc(Br)c(O)c(C[NH2+]CC2(S(=O)(=O)N(C)C)CC2)c1 ZINC000886321056 657643242 /nfs/dbraw/zinc/64/32/42/657643242.db2.gz QNIPYIKBSFCOFR-UHFFFAOYSA-N 1 1 377.304 1.977 20 10 GDCDMO C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@H](n4cc(C(=O)[O-])nn4)C3)cc2F)CC1 ZINC001598622460 994026088 /nfs/dbraw/zinc/02/60/88/994026088.db2.gz KJWPZUMINGMRPQ-OAHLLOKOSA-N 1 1 388.447 1.314 20 10 GDCDMO C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H](n4cc(C(=O)[O-])nn4)C3)cc2F)CC1 ZINC001598622460 994026097 /nfs/dbraw/zinc/02/60/97/994026097.db2.gz KJWPZUMINGMRPQ-OAHLLOKOSA-N 1 1 388.447 1.314 20 10 GDCDMO CCOc1cccc(C[N@@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@@H]2C)c1O ZINC000825649808 608834229 /nfs/dbraw/zinc/83/42/29/608834229.db2.gz YJVJOZJENGBUBW-ZDUSSCGKSA-N 1 1 396.455 1.472 20 10 GDCDMO CCOc1cccc(C[N@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@@H]2C)c1O ZINC000825649808 608834230 /nfs/dbraw/zinc/83/42/30/608834230.db2.gz YJVJOZJENGBUBW-ZDUSSCGKSA-N 1 1 396.455 1.472 20 10 GDCDMO CNS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2c(O)cccc2Br)C1 ZINC000862551335 655847444 /nfs/dbraw/zinc/84/74/44/655847444.db2.gz MSIOMAUXPYHTSS-LLVKDONJSA-N 1 1 377.304 1.916 20 10 GDCDMO NC(=O)c1ccc(N2CC[NH+](Cc3cc(Br)ccc3O)CC2)nc1 ZINC000271068875 531960786 /nfs/dbraw/zinc/96/07/86/531960786.db2.gz KNLUPOJCUSPUCZ-UHFFFAOYSA-N 1 1 391.269 1.971 20 10 GDCDMO CN(C)c1ccc(C[NH+]2CCN(c3cc(-c4nn[nH]n4)ccn3)CC2)cc1F ZINC000825878785 608510985 /nfs/dbraw/zinc/51/09/85/608510985.db2.gz FHJHUZXFPRCGNS-UHFFFAOYSA-N 1 1 382.447 1.789 20 10 GDCDMO O=S1(=O)CCN(c2ccc(C[NH2+]Cc3nc(Br)c[nH]3)cc2)CC1 ZINC000921738012 660328515 /nfs/dbraw/zinc/32/85/15/660328515.db2.gz OAIJAJISCBNWBG-UHFFFAOYSA-N 1 1 399.314 1.697 20 10 GDCDMO O=C(NCc1cc(Br)ccc1O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000805075640 655021827 /nfs/dbraw/zinc/02/18/27/655021827.db2.gz ZREMWBLAPSOQQS-ZIAGYGMSSA-N 1 1 384.274 1.817 20 10 GDCDMO COC(=O)[C@@H]1CN(Cc2cc(Br)cc(OC)c2O)CC[N@@H+](C)C1 ZINC000840956577 655306367 /nfs/dbraw/zinc/30/63/67/655306367.db2.gz ACFSYZPHHNOJQK-LBPRGKRZSA-N 1 1 387.274 1.700 20 10 GDCDMO O=C(NCCCSc1nccs1)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000848935213 655502242 /nfs/dbraw/zinc/50/22/42/655502242.db2.gz KEUCUFJPTMBNPK-KBPBESRZSA-N 1 1 382.555 1.875 20 10 GDCDMO O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@H+](Cc2cccc(Br)c2[O-])C1 ZINC000872254485 656321666 /nfs/dbraw/zinc/32/16/66/656321666.db2.gz FNOSALFZSQCJTA-YUTCNCBUSA-N 1 1 382.258 1.522 20 10 GDCDMO CS(C)(=O)=NS(=O)(=O)CC[NH2+]Cc1cccc(Br)c1O ZINC000922491903 656483236 /nfs/dbraw/zinc/48/32/36/656483236.db2.gz FZOTUDXGPALBRE-UHFFFAOYSA-N 1 1 385.305 1.302 20 10 GDCDMO CN(C)c1ccc([C@H](CNC(=O)N2CC[N@@H+](C)C[C@@H](C(=O)[O-])C2)[NH+](C)C)cc1 ZINC001598606906 993679034 /nfs/dbraw/zinc/67/90/34/993679034.db2.gz LOFUXUYVCKXMOG-AEFFLSMTSA-N 1 1 391.516 1.013 20 10 GDCDMO CNS(=O)(=O)[C@H]1CCC[N@H+](Cc2cc(Br)cc(C)c2O)C1 ZINC000362237092 531458771 /nfs/dbraw/zinc/45/87/71/531458771.db2.gz ISROARUFXPCKIN-ZDUSSCGKSA-N 1 1 377.304 1.977 20 10 GDCDMO CNS(=O)(=O)[C@H]1CCC[N@@H+](Cc2cc(Br)cc(C)c2O)C1 ZINC000362237092 531458774 /nfs/dbraw/zinc/45/87/74/531458774.db2.gz ISROARUFXPCKIN-ZDUSSCGKSA-N 1 1 377.304 1.977 20 10 GDCDMO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000824999544 608834576 /nfs/dbraw/zinc/83/45/76/608834576.db2.gz HLZOAKYVKBUYSQ-CQSZACIVSA-N 1 1 379.472 1.433 20 10 GDCDMO COc1cccc(C[N@@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@H]2C)c1O ZINC000826216300 608841006 /nfs/dbraw/zinc/84/10/06/608841006.db2.gz RTVLTIQLIUGIQZ-GFCCVEGCSA-N 1 1 382.428 1.082 20 10 GDCDMO COc1cccc(C[N@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@H]2C)c1O ZINC000826216300 608841009 /nfs/dbraw/zinc/84/10/09/608841009.db2.gz RTVLTIQLIUGIQZ-GFCCVEGCSA-N 1 1 382.428 1.082 20 10 GDCDMO O=C(NCC(F)F)C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000768077133 655313733 /nfs/dbraw/zinc/31/37/33/655313733.db2.gz FDBAHUNZTKZNLI-LBPRGKRZSA-N 1 1 375.803 1.508 20 10 GDCDMO O=C(NCC(F)F)C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000768077133 655313736 /nfs/dbraw/zinc/31/37/36/655313736.db2.gz FDBAHUNZTKZNLI-LBPRGKRZSA-N 1 1 375.803 1.508 20 10 GDCDMO CN(C)c1cc(F)c(C[NH2+]CCS(=O)(=O)N2CCSCC2)cc1F ZINC000858131234 655744764 /nfs/dbraw/zinc/74/47/64/655744764.db2.gz ODUPBCRCIYLFTD-UHFFFAOYSA-N 1 1 379.498 1.499 20 10 GDCDMO CN(C)S(=O)(=O)N1CCC[N@@H+](Cc2c(O)cccc2Br)CC1 ZINC000862370657 655845322 /nfs/dbraw/zinc/84/53/22/655845322.db2.gz PSNMOFUTIMOBCZ-UHFFFAOYSA-N 1 1 392.319 1.469 20 10 GDCDMO CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000931877319 657136163 /nfs/dbraw/zinc/13/61/63/657136163.db2.gz FZIIONSKNQUTGM-CYBMUJFWSA-N 1 1 384.274 1.324 20 10 GDCDMO CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)NC[C@H]1CC[N@H+]1C ZINC000931877319 657136165 /nfs/dbraw/zinc/13/61/65/657136165.db2.gz FZIIONSKNQUTGM-CYBMUJFWSA-N 1 1 384.274 1.324 20 10 GDCDMO NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]Cc2cc(Br)cc(F)c2[O-])C1 ZINC000882984988 657261141 /nfs/dbraw/zinc/26/11/41/657261141.db2.gz BGVCECGKDYZEIU-LLVKDONJSA-N 1 1 388.281 1.971 20 10 GDCDMO C[N@H+]1CCN(CCNC(=O)NCc2cccc(Br)c2O)CC1(C)C ZINC000282286809 531733133 /nfs/dbraw/zinc/73/31/33/531733133.db2.gz QJHIIYNCKXMTSY-UHFFFAOYSA-N 1 1 399.333 1.980 20 10 GDCDMO COCC[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000826159190 608546563 /nfs/dbraw/zinc/54/65/63/608546563.db2.gz VZZWGJKBNREDFI-SFHVURJKSA-N 1 1 397.435 1.647 20 10 GDCDMO C[NH+]1CCN(c2ccc(CNC(=O)CSc3n[nH]c(=S)s3)cc2)CC1 ZINC000918861034 660242201 /nfs/dbraw/zinc/24/22/01/660242201.db2.gz HMYBIHCDPJXWDW-UHFFFAOYSA-N 1 1 395.579 1.987 20 10 GDCDMO Cc1cc(Br)c(O)c(C[N@H+](C)CCN2CCCS2(=O)=O)c1 ZINC000781909061 654820092 /nfs/dbraw/zinc/82/00/92/654820092.db2.gz OYFYUMYNMIVDDK-UHFFFAOYSA-N 1 1 377.304 1.930 20 10 GDCDMO Cc1cc(Br)c(O)c(C[N@@H+](C)CCN2CCCS2(=O)=O)c1 ZINC000781909061 654820096 /nfs/dbraw/zinc/82/00/96/654820096.db2.gz OYFYUMYNMIVDDK-UHFFFAOYSA-N 1 1 377.304 1.930 20 10 GDCDMO C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCCCSc3nccs3)CC[C@H]21 ZINC000806281505 655062833 /nfs/dbraw/zinc/06/28/33/655062833.db2.gz ALJZMJKHMZISTQ-ZIAGYGMSSA-N 1 1 382.555 1.684 20 10 GDCDMO O=C(NCCCSc1nccs1)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000848935216 655502219 /nfs/dbraw/zinc/50/22/19/655502219.db2.gz KEUCUFJPTMBNPK-KGLIPLIRSA-N 1 1 382.555 1.875 20 10 GDCDMO CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@@H]2CCC[N@H+]3CCSC[C@H]23)c1 ZINC000928095103 656870913 /nfs/dbraw/zinc/87/09/13/656870913.db2.gz DGLXOGVSVNDGLX-ZIAGYGMSSA-N 1 1 385.511 1.073 20 10 GDCDMO Cc1cc(Br)c(O)c(C[NH2+]CCc2nnc3c(=O)n(C)ccn23)c1 ZINC000886283726 657635934 /nfs/dbraw/zinc/63/59/34/657635934.db2.gz FPDAVXHEYNTKMO-UHFFFAOYSA-N 1 1 392.257 1.537 20 10 GDCDMO COC(=O)c1cn([C@@H]2CC[N@@H+](Cc3cc(Br)ccc3O)C2)nn1 ZINC000375203563 532153774 /nfs/dbraw/zinc/15/37/74/532153774.db2.gz VYPSYBSLYDLCRR-GFCCVEGCSA-N 1 1 381.230 1.980 20 10 GDCDMO O=C(C[NH+]1CCCC1)N1CCN(Cc2cccc(Br)c2O)CC1 ZINC000093046955 644591798 /nfs/dbraw/zinc/59/17/98/644591798.db2.gz RPYVBRUCKAHDNY-UHFFFAOYSA-N 1 1 382.302 1.895 20 10 GDCDMO CC[N@H+](Cc1cc(Br)ccc1O)CC1CN(S(C)(=O)=O)C1 ZINC000929755951 656983013 /nfs/dbraw/zinc/98/30/13/656983013.db2.gz UZGFJRCEJRKLFE-UHFFFAOYSA-N 1 1 377.304 1.868 20 10 GDCDMO COc1ccc2ccc(O)c(C[N@@H+](CCN3CC[NH+](C)CC3)CC(=O)[O-])c2c1 ZINC001599636022 994289453 /nfs/dbraw/zinc/28/94/53/994289453.db2.gz GWUQMMRFEWXJFR-UHFFFAOYSA-N 1 1 387.480 1.688 20 10 GDCDMO COCC[N@@H+](C)CCNC(=O)c1cc(C)n(-c2ccc(-c3nn[nH]n3)cc2)c1C ZINC000736990824 598619048 /nfs/dbraw/zinc/61/90/48/598619048.db2.gz SPMGJYWMZITAFT-UHFFFAOYSA-N 1 1 397.483 1.582 20 10 GDCDMO CCOCCS(=O)(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000751374171 654885575 /nfs/dbraw/zinc/88/55/75/654885575.db2.gz XDPPBYBSXBUQNA-OAHLLOKOSA-N 1 1 376.906 1.966 20 10 GDCDMO CCOCCS(=O)(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000751374171 654885583 /nfs/dbraw/zinc/88/55/83/654885583.db2.gz XDPPBYBSXBUQNA-OAHLLOKOSA-N 1 1 376.906 1.966 20 10 GDCDMO C[C@@H](CNC(=O)C(=O)NCCCSc1nccs1)[N@H+]1CCC[C@@H](C)C1 ZINC000806280737 655062559 /nfs/dbraw/zinc/06/25/59/655062559.db2.gz TUCRNMUUHFGZKM-KGLIPLIRSA-N 1 1 384.571 1.978 20 10 GDCDMO NC(=O)c1cccnc1N1CC[NH+](Cc2c(O)cccc2Br)CC1 ZINC000862219893 655842408 /nfs/dbraw/zinc/84/24/08/655842408.db2.gz IVLJAYABEPMFAG-UHFFFAOYSA-N 1 1 391.269 1.971 20 10 GDCDMO Cc1cc(Br)c(O)c(C[NH+]2CCC3(CC2)C[C@@H](O)CNC3=O)c1 ZINC000897040229 658820572 /nfs/dbraw/zinc/82/05/72/658820572.db2.gz DTSQFKYDGQPIBQ-CYBMUJFWSA-N 1 1 383.286 1.926 20 10 GDCDMO CN(C)c1ccc([C@H](CNC(=O)N2CC[N@@H+](C)C[C@H](C(=O)[O-])C2)[NH+](C)C)cc1 ZINC001598606909 993678460 /nfs/dbraw/zinc/67/84/60/993678460.db2.gz LOFUXUYVCKXMOG-WMZOPIPTSA-N 1 1 391.516 1.013 20 10 GDCDMO O=C1[C@H]([NH2+]Cc2cccc(F)c2O)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476849 609176721 /nfs/dbraw/zinc/17/67/21/609176721.db2.gz QKKVCFOYBUXIQO-MRXNPFEDSA-N 1 1 382.399 1.997 20 10 GDCDMO COc1cc(Br)cc(C[N@@H+](C)C[C@@H](O)CN2CCOCC2)c1O ZINC000093583130 644591810 /nfs/dbraw/zinc/59/18/10/644591810.db2.gz ZOCGDZFFPRYGJP-CQSZACIVSA-N 1 1 389.290 1.288 20 10 GDCDMO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1Cc1cc(Br)cc(OC)c1O ZINC000769532078 654468311 /nfs/dbraw/zinc/46/83/11/654468311.db2.gz HHDMINXFSLRETA-LBPRGKRZSA-N 1 1 393.303 1.677 20 10 GDCDMO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1Cc1cc(Br)cc(OC)c1O ZINC000769532078 654468312 /nfs/dbraw/zinc/46/83/12/654468312.db2.gz HHDMINXFSLRETA-LBPRGKRZSA-N 1 1 393.303 1.677 20 10 GDCDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NCCCSc1nccs1 ZINC000793901619 655126715 /nfs/dbraw/zinc/12/67/15/655126715.db2.gz MZEMJGFLDIVTDJ-KBPBESRZSA-N 1 1 384.571 1.978 20 10 GDCDMO Cc1cc(Br)c(O)c(C[NH+]2CCC(n3cc(C(N)=O)nn3)CC2)c1 ZINC000862483811 655846912 /nfs/dbraw/zinc/84/69/12/655846912.db2.gz ULSDUVKZJFAVCB-UHFFFAOYSA-N 1 1 394.273 1.991 20 10 GDCDMO Cc1cc(Br)c(O)c(C[NH2+]C[C@]23COCCN2C(=O)COC3)c1 ZINC000865795711 655926890 /nfs/dbraw/zinc/92/68/90/655926890.db2.gz LOTCWSFJLITKFH-MRXNPFEDSA-N 1 1 385.258 1.181 20 10 GDCDMO C[C@H]([NH2+]C[C@]12COCCN1C(=O)COC2)c1cc(Cl)c(Cl)cc1O ZINC000866552369 655949062 /nfs/dbraw/zinc/94/90/62/655949062.db2.gz IGPZTOLPFICNAV-MGPLVRAMSA-N 1 1 375.252 1.977 20 10 GDCDMO CN(C)C(=O)CN(CC[NH+](C)C)Cc1cc(Br)cc(F)c1O ZINC000895258357 658679958 /nfs/dbraw/zinc/67/99/58/658679958.db2.gz CXDCYTRZGQEIPG-UHFFFAOYSA-N 1 1 376.270 1.746 20 10 GDCDMO C[C@@H](CNC(=O)NCc1cccc(Br)c1O)C[NH+]1CCOCC1 ZINC000277469156 531285434 /nfs/dbraw/zinc/28/54/34/531285434.db2.gz OURUTNJTYMMRQA-LBPRGKRZSA-N 1 1 386.290 1.922 20 10 GDCDMO CS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2cccc(Br)c2O)C1 ZINC000772597220 654566236 /nfs/dbraw/zinc/56/62/36/654566236.db2.gz COXCWKGEFNSSBL-LLVKDONJSA-N 1 1 377.304 1.916 20 10 GDCDMO CS(=O)(=O)NC[C@H]1CCC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000772597220 654566238 /nfs/dbraw/zinc/56/62/38/654566238.db2.gz COXCWKGEFNSSBL-LLVKDONJSA-N 1 1 377.304 1.916 20 10 GDCDMO C[NH+](C)[C@@H](CNC(=O)C(=O)NCCCSc1nccs1)c1ccco1 ZINC000774827738 654641656 /nfs/dbraw/zinc/64/16/56/654641656.db2.gz SJBOMDRJXGIQMZ-LBPRGKRZSA-N 1 1 382.511 1.754 20 10 GDCDMO COc1cc(Br)cc(C[NH+]2CCC(NS(C)(=O)=O)CC2)c1O ZINC000768227108 655317135 /nfs/dbraw/zinc/31/71/35/655317135.db2.gz FNIDDGPLGKRIKI-UHFFFAOYSA-N 1 1 393.303 1.677 20 10 GDCDMO COc1ccc(N2CC[NH+](C[C@H](O)Cn3ccnc3Br)CC2)cc1 ZINC000899896280 659065033 /nfs/dbraw/zinc/06/50/33/659065033.db2.gz BTTWEMYBNLVTIZ-HNNXBMFYSA-N 1 1 395.301 1.837 20 10 GDCDMO C[NH+]1CCN(CC[N@@H+](CC(=O)[O-])Cc2ccc(Br)cc2O)CC1 ZINC001598617613 993919560 /nfs/dbraw/zinc/91/95/60/993919560.db2.gz YVFWUDMEXPSLNC-UHFFFAOYSA-N 1 1 386.290 1.289 20 10 GDCDMO O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)[C@H]1CSC[NH2+]1 ZINC000178716959 530726398 /nfs/dbraw/zinc/72/63/98/530726398.db2.gz MHUMOBAQLWQOOA-CQSZACIVSA-N 1 1 375.416 1.821 20 10 GDCDMO Cn1nccc1S(=O)(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000364024581 531530561 /nfs/dbraw/zinc/53/05/61/531530561.db2.gz ZKVIOEXYLUMNKX-AWEZNQCLSA-N 1 1 384.889 1.722 20 10 GDCDMO Cn1nccc1S(=O)(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000364024581 531530568 /nfs/dbraw/zinc/53/05/68/531530568.db2.gz ZKVIOEXYLUMNKX-AWEZNQCLSA-N 1 1 384.889 1.722 20 10 GDCDMO COc1ccc(O)c(C[N@@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@H]2C)c1 ZINC000826210517 608590683 /nfs/dbraw/zinc/59/06/83/608590683.db2.gz UXECJCJIVLHZIU-GFCCVEGCSA-N 1 1 382.428 1.082 20 10 GDCDMO COc1ccc(O)c(C[N@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@H]2C)c1 ZINC000826210517 608590685 /nfs/dbraw/zinc/59/06/85/608590685.db2.gz UXECJCJIVLHZIU-GFCCVEGCSA-N 1 1 382.428 1.082 20 10 GDCDMO O=C(NCCCSc1nccs1)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000806282371 655062817 /nfs/dbraw/zinc/06/28/17/655062817.db2.gz WLGYFRYMANRWJI-CQSZACIVSA-N 1 1 382.555 1.875 20 10 GDCDMO Cc1cc(Br)c(O)c(C[N@@H+](C)[C@@H]2CCN(S(C)(=O)=O)C2)c1 ZINC000814170780 655257748 /nfs/dbraw/zinc/25/77/48/655257748.db2.gz CGDJGSXRCDSVHV-GFCCVEGCSA-N 1 1 377.304 1.929 20 10 GDCDMO Cc1cc(Br)c(O)c(C[N@H+](C)[C@@H]2CCN(S(C)(=O)=O)C2)c1 ZINC000814170780 655257749 /nfs/dbraw/zinc/25/77/49/655257749.db2.gz CGDJGSXRCDSVHV-GFCCVEGCSA-N 1 1 377.304 1.929 20 10 GDCDMO Cc1cc(Br)c(O)c(C[NH2+]C2CN(S(=O)(=O)N(C)C)C2)c1 ZINC000858314482 655747032 /nfs/dbraw/zinc/74/70/32/655747032.db2.gz QMDNNQHKJFNDSH-UHFFFAOYSA-N 1 1 378.292 1.043 20 10 GDCDMO CNS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000862552484 655847414 /nfs/dbraw/zinc/84/74/14/655847414.db2.gz ZWKNLAPOBNKWFE-LLVKDONJSA-N 1 1 377.304 1.916 20 10 GDCDMO COc1cc(Br)cc(C[N@H+]2C[C@]3(C)C(=O)NC(=O)[C@]3(C)C2)c1O ZINC000877668786 656687225 /nfs/dbraw/zinc/68/72/25/656687225.db2.gz NKNFCQGVSJLNQH-IYBDPMFKSA-N 1 1 383.242 1.648 20 10 GDCDMO CN(C)CC[NH+]1CCC(NC(=O)NCc2cccc(Br)c2O)CC1 ZINC000277789814 531311817 /nfs/dbraw/zinc/31/18/17/531311817.db2.gz SBPACUAMJNFUGA-UHFFFAOYSA-N 1 1 399.333 1.980 20 10 GDCDMO CNS(=O)(=O)[C@@H]1CC[N@H+](Cc2cc(Br)cc(OC)c2O)C1 ZINC000362642398 531462156 /nfs/dbraw/zinc/46/21/56/531462156.db2.gz SVJCILSTQIQCMV-LLVKDONJSA-N 1 1 379.276 1.287 20 10 GDCDMO CNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cc(Br)cc(OC)c2O)C1 ZINC000362642398 531462160 /nfs/dbraw/zinc/46/21/60/531462160.db2.gz SVJCILSTQIQCMV-LLVKDONJSA-N 1 1 379.276 1.287 20 10 GDCDMO CC(=O)NCC(=O)N1CCC[N@H+](Cc2cc(Br)ccc2O)CC1 ZINC000529665763 649950658 /nfs/dbraw/zinc/95/06/58/649950658.db2.gz RBACAKOHDJFUBE-UHFFFAOYSA-N 1 1 384.274 1.325 20 10 GDCDMO CC(=O)NCC(=O)N1CCC[N@@H+](Cc2cc(Br)ccc2O)CC1 ZINC000529665763 649950661 /nfs/dbraw/zinc/95/06/61/649950661.db2.gz RBACAKOHDJFUBE-UHFFFAOYSA-N 1 1 384.274 1.325 20 10 GDCDMO O=S(=O)(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)N1CCOCC1 ZINC000751372253 654885201 /nfs/dbraw/zinc/88/52/01/654885201.db2.gz MPNBWZMVGRCLDA-HNNXBMFYSA-N 1 1 389.905 1.177 20 10 GDCDMO O=S(=O)(N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)N1CCOCC1 ZINC000751372253 654885205 /nfs/dbraw/zinc/88/52/05/654885205.db2.gz MPNBWZMVGRCLDA-HNNXBMFYSA-N 1 1 389.905 1.177 20 10 GDCDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)NCCCSc2nccs2)C1 ZINC000806278893 655062165 /nfs/dbraw/zinc/06/21/65/655062165.db2.gz YXDULNOHSVDDMB-KBPBESRZSA-N 1 1 382.555 1.684 20 10 GDCDMO COc1cc(Br)cc(C[N@H+]2C[C@@H](C)[C@H](CS(N)(=O)=O)C2)c1O ZINC000897609018 658872707 /nfs/dbraw/zinc/87/27/07/658872707.db2.gz CUKGMBCOCPBTHT-KOLCDFICSA-N 1 1 393.303 1.520 20 10 GDCDMO COC[C@H](C)S(=O)(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000161829664 530563644 /nfs/dbraw/zinc/56/36/44/530563644.db2.gz BKSFUHHUCZVHLW-SWLSCSKDSA-N 1 1 376.906 1.964 20 10 GDCDMO COC[C@H](C)S(=O)(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000161829664 530563645 /nfs/dbraw/zinc/56/36/45/530563645.db2.gz BKSFUHHUCZVHLW-SWLSCSKDSA-N 1 1 376.906 1.964 20 10 GDCDMO CO[C@@H](C)CS(=O)(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000374230912 532115404 /nfs/dbraw/zinc/11/54/04/532115404.db2.gz PDXYMONWRZTLLC-SWLSCSKDSA-N 1 1 376.906 1.964 20 10 GDCDMO CO[C@@H](C)CS(=O)(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000374230912 532115408 /nfs/dbraw/zinc/11/54/08/532115408.db2.gz PDXYMONWRZTLLC-SWLSCSKDSA-N 1 1 376.906 1.964 20 10 GDCDMO CCN1C(=O)[C@@H]2C[N@H+](Cc3cc(Br)cc(C)c3O)CCN2C1=O ZINC000378444634 532287647 /nfs/dbraw/zinc/28/76/47/532287647.db2.gz XSEANOCSPZDKLZ-ZDUSSCGKSA-N 1 1 382.258 1.931 20 10 GDCDMO CCN1C(=O)[C@@H]2C[N@@H+](Cc3cc(Br)cc(C)c3O)CCN2C1=O ZINC000378444634 532287651 /nfs/dbraw/zinc/28/76/51/532287651.db2.gz XSEANOCSPZDKLZ-ZDUSSCGKSA-N 1 1 382.258 1.931 20 10 GDCDMO CN(C)c1ccc(C[NH+]2CCN(c3ncccc3-c3nn[nH]n3)CC2)cc1F ZINC000825880220 608508853 /nfs/dbraw/zinc/50/88/53/608508853.db2.gz ZGNPNVSHRWNRGH-UHFFFAOYSA-N 1 1 382.447 1.789 20 10 GDCDMO COCC[N@H+](CC(=O)N(C)C)Cc1cc(Br)cc(OC)c1O ZINC000091773823 644588897 /nfs/dbraw/zinc/58/88/97/644588897.db2.gz PRMPDPNWHVOIPD-UHFFFAOYSA-N 1 1 375.263 1.700 20 10 GDCDMO COCC[N@@H+](CC(=O)N(C)C)Cc1cc(Br)cc(OC)c1O ZINC000091773823 644588901 /nfs/dbraw/zinc/58/89/01/644588901.db2.gz PRMPDPNWHVOIPD-UHFFFAOYSA-N 1 1 375.263 1.700 20 10 GDCDMO CC[N@H+](CC(=O)N[C@H](C)C(=O)N(C)C)Cc1cc(Br)ccc1O ZINC000174423297 644899956 /nfs/dbraw/zinc/89/99/56/644899956.db2.gz OHCDMWIYCJYPJQ-LLVKDONJSA-N 1 1 386.290 1.570 20 10 GDCDMO CC[N@@H+](CC(=O)N[C@H](C)C(=O)N(C)C)Cc1cc(Br)ccc1O ZINC000174423297 644899962 /nfs/dbraw/zinc/89/99/62/644899962.db2.gz OHCDMWIYCJYPJQ-LLVKDONJSA-N 1 1 386.290 1.570 20 10 GDCDMO O=C1C[C@H]([NH2+]Cc2cccc(Br)c2O)CN1CCN1CCOCC1 ZINC000178902853 644927375 /nfs/dbraw/zinc/92/73/75/644927375.db2.gz QXLYHQYVLZYRGL-AWEZNQCLSA-N 1 1 398.301 1.177 20 10 GDCDMO Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)c1O ZINC000779607904 654764874 /nfs/dbraw/zinc/76/48/74/654764874.db2.gz QJNFZLVDSIUKSE-MRXNPFEDSA-N 1 1 388.917 1.980 20 10 GDCDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NCCCSc2nccs2)C1 ZINC000806278895 655062088 /nfs/dbraw/zinc/06/20/88/655062088.db2.gz YXDULNOHSVDDMB-UONOGXRCSA-N 1 1 382.555 1.684 20 10 GDCDMO C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)NCCCSc3nccs3)CC[C@@H]21 ZINC000806281502 655062538 /nfs/dbraw/zinc/06/25/38/655062538.db2.gz ALJZMJKHMZISTQ-KBPBESRZSA-N 1 1 382.555 1.684 20 10 GDCDMO Cc1ccc(NCCNC(=O)C(=O)NCCCSc2nccs2)[nH+]c1 ZINC000930198438 657006946 /nfs/dbraw/zinc/00/69/46/657006946.db2.gz PQXHDIYXLFIZCK-UHFFFAOYSA-N 1 1 379.511 1.673 20 10 GDCDMO CC(C)(C)C(=O)C(=O)NCCC1=CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001573793721 949301920 /nfs/dbraw/zinc/30/19/20/949301920.db2.gz XFQUJKYCDOYMRB-UHFFFAOYSA-N 1 1 383.456 1.520 20 10 GDCDMO O=S(=O)(C[C@H]1CCOC1)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000364436244 531564661 /nfs/dbraw/zinc/56/46/61/531564661.db2.gz XWMRHEDEDOZTAW-XJKSGUPXSA-N 1 1 388.917 1.966 20 10 GDCDMO O=S(=O)(C[C@H]1CCOC1)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000364436244 531564666 /nfs/dbraw/zinc/56/46/66/531564666.db2.gz XWMRHEDEDOZTAW-XJKSGUPXSA-N 1 1 388.917 1.966 20 10 GDCDMO CCN1C(=O)[C@H]2C[N@H+](Cc3cc(Br)cc(OC)c3O)CCN2C1=O ZINC000369436715 531965552 /nfs/dbraw/zinc/96/55/52/531965552.db2.gz JEMYXLFGXSQUQY-GFCCVEGCSA-N 1 1 398.257 1.632 20 10 GDCDMO CCN1C(=O)[C@H]2C[N@@H+](Cc3cc(Br)cc(OC)c3O)CCN2C1=O ZINC000369436715 531965556 /nfs/dbraw/zinc/96/55/56/531965556.db2.gz JEMYXLFGXSQUQY-GFCCVEGCSA-N 1 1 398.257 1.632 20 10 GDCDMO COCCCS(=O)(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000371868106 645765604 /nfs/dbraw/zinc/76/56/04/645765604.db2.gz PSLHGCBTDSQQRR-HNNXBMFYSA-N 1 1 376.906 1.966 20 10 GDCDMO COCCCS(=O)(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000371868106 645765607 /nfs/dbraw/zinc/76/56/07/645765607.db2.gz PSLHGCBTDSQQRR-HNNXBMFYSA-N 1 1 376.906 1.966 20 10 GDCDMO O=C(NCc1cccc(Br)c1O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000764777842 655222865 /nfs/dbraw/zinc/22/28/65/655222865.db2.gz HIFMCBXQOQYRGC-CHWSQXEVSA-N 1 1 384.274 1.817 20 10 GDCDMO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)cc1Cl ZINC000825460841 655489547 /nfs/dbraw/zinc/48/95/47/655489547.db2.gz ABJPNWAMPLPSBJ-OAHLLOKOSA-N 1 1 388.917 1.980 20 10 GDCDMO Cc1cc(O)c(C[N@H+]2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)cc1Cl ZINC000825460841 655489549 /nfs/dbraw/zinc/48/95/49/655489549.db2.gz ABJPNWAMPLPSBJ-OAHLLOKOSA-N 1 1 388.917 1.980 20 10 GDCDMO Cc1cc(Br)cc([C@H](C)[NH2+]Cc2nnc3n2CCNC3=O)c1O ZINC000883303923 657280642 /nfs/dbraw/zinc/28/06/42/657280642.db2.gz JQCVDAJSIMGHCW-VIFPVBQESA-N 1 1 380.246 1.649 20 10 GDCDMO CC[N@@H+](CCc1cn(CC(=O)OC)nn1)Cc1cc(Br)ccc1O ZINC000154170034 531179452 /nfs/dbraw/zinc/17/94/52/531179452.db2.gz JSNOVATXRXKFOG-UHFFFAOYSA-N 1 1 397.273 1.984 20 10 GDCDMO Oc1cc2c(cc1C[N@@H+]1CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C1)[C@@H](O)CO2 ZINC000826510666 608546951 /nfs/dbraw/zinc/54/69/51/608546951.db2.gz DKHRTRHWNJLVTP-PKOBYXMFSA-N 1 1 395.419 1.572 20 10 GDCDMO Oc1cc2c(cc1C[N@H+]1CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C1)[C@@H](O)CO2 ZINC000826510666 608546953 /nfs/dbraw/zinc/54/69/53/608546953.db2.gz DKHRTRHWNJLVTP-PKOBYXMFSA-N 1 1 395.419 1.572 20 10 GDCDMO COC(=O)CC[N@@H+]1CCN(C(=O)NCCCSc2nccs2)[C@H](C)C1 ZINC000775442628 654666747 /nfs/dbraw/zinc/66/67/47/654666747.db2.gz GIURYJIJQNFIMB-CYBMUJFWSA-N 1 1 386.543 1.904 20 10 GDCDMO COC(=O)CC[N@H+]1CCN(C(=O)NCCCSc2nccs2)[C@H](C)C1 ZINC000775442628 654666749 /nfs/dbraw/zinc/66/67/49/654666749.db2.gz GIURYJIJQNFIMB-CYBMUJFWSA-N 1 1 386.543 1.904 20 10 GDCDMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)NCc1cc(Br)ccc1O ZINC000805304785 655034446 /nfs/dbraw/zinc/03/44/46/655034446.db2.gz SNAUJAMTDOTTBO-ZDUSSCGKSA-N 1 1 399.333 1.980 20 10 GDCDMO COc1ccc(N2CC[NH+](C[C@H](O)CSc3nnc(N)s3)CC2)cc1 ZINC000758209053 655053976 /nfs/dbraw/zinc/05/39/76/655053976.db2.gz YUZZPKAKCDYDMU-ZDUSSCGKSA-N 1 1 381.527 1.404 20 10 GDCDMO C[C@@H]([NH2+]CCS(=O)(=O)N1CCOCC1)c1cccc(C(F)(F)F)c1O ZINC000815591346 655300241 /nfs/dbraw/zinc/30/02/41/655300241.db2.gz DQZNABQPSYXWLZ-LLVKDONJSA-N 1 1 382.404 1.724 20 10 GDCDMO CNS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2O)C1 ZINC000862552135 655847480 /nfs/dbraw/zinc/84/74/80/655847480.db2.gz UBXWDENSCAKNGX-NSHDSACASA-N 1 1 377.304 1.916 20 10 GDCDMO COC[C@H](C)S(=O)(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000161829901 530563541 /nfs/dbraw/zinc/56/35/41/530563541.db2.gz BKSFUHHUCZVHLW-WFASDCNBSA-N 1 1 376.906 1.964 20 10 GDCDMO COC[C@H](C)S(=O)(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000161829901 530563543 /nfs/dbraw/zinc/56/35/43/530563543.db2.gz BKSFUHHUCZVHLW-WFASDCNBSA-N 1 1 376.906 1.964 20 10 GDCDMO CCNS(=O)(=O)[C@H]1CC[N@H+](Cc2cc(Br)cc(OC)c2O)C1 ZINC000181556430 530786349 /nfs/dbraw/zinc/78/63/49/530786349.db2.gz UUQAHNIZZYYJGJ-LBPRGKRZSA-N 1 1 393.303 1.677 20 10 GDCDMO CCNS(=O)(=O)[C@H]1CC[N@@H+](Cc2cc(Br)cc(OC)c2O)C1 ZINC000181556430 530786350 /nfs/dbraw/zinc/78/63/50/530786350.db2.gz UUQAHNIZZYYJGJ-LBPRGKRZSA-N 1 1 393.303 1.677 20 10 GDCDMO CCNS(=O)(=O)[C@@H]1CC[N@H+](Cc2cc(Br)cc(C)c2O)C1 ZINC000181555928 530786820 /nfs/dbraw/zinc/78/68/20/530786820.db2.gz NVUZDKVFVLQVPT-CYBMUJFWSA-N 1 1 377.304 1.977 20 10 GDCDMO CCNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cc(Br)cc(C)c2O)C1 ZINC000181555928 530786823 /nfs/dbraw/zinc/78/68/23/530786823.db2.gz NVUZDKVFVLQVPT-CYBMUJFWSA-N 1 1 377.304 1.977 20 10 GDCDMO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000754153400 654966505 /nfs/dbraw/zinc/96/65/05/654966505.db2.gz HGNRJWCMSWVPNY-CYBMUJFWSA-N 1 1 376.906 1.918 20 10 GDCDMO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000754153400 654966507 /nfs/dbraw/zinc/96/65/07/654966507.db2.gz HGNRJWCMSWVPNY-CYBMUJFWSA-N 1 1 376.906 1.918 20 10 GDCDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCCCSc1nccs1 ZINC000793901622 655126673 /nfs/dbraw/zinc/12/66/73/655126673.db2.gz MZEMJGFLDIVTDJ-ZIAGYGMSSA-N 1 1 384.571 1.978 20 10 GDCDMO COC(=O)c1cn([C@@H]2CC[N@H+](Cc3cccc(Br)c3O)C2)nn1 ZINC000761225982 655138178 /nfs/dbraw/zinc/13/81/78/655138178.db2.gz LIZJVLMZFSDDOG-LLVKDONJSA-N 1 1 381.230 1.980 20 10 GDCDMO COC(=O)c1cn([C@@H]2CC[N@@H+](Cc3cccc(Br)c3O)C2)nn1 ZINC000761225982 655138180 /nfs/dbraw/zinc/13/81/80/655138180.db2.gz LIZJVLMZFSDDOG-LLVKDONJSA-N 1 1 381.230 1.980 20 10 GDCDMO O=C(CN1CSCC1=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000363709656 531504201 /nfs/dbraw/zinc/50/42/01/531504201.db2.gz MMKCFKBJWZVQDJ-AWEZNQCLSA-N 1 1 383.901 1.659 20 10 GDCDMO COc1ccc(N2CCN(CCC[NH2+]Cc3ccc(-c4nn[nH]n4)o3)CC2)cc1 ZINC000821832059 599396889 /nfs/dbraw/zinc/39/68/89/599396889.db2.gz YCLLWKNVHSPKGZ-UHFFFAOYSA-N 1 1 397.483 1.770 20 10 GDCDMO CCOc1ccc(C[N@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@H]2C)c(O)c1 ZINC000825639443 608834309 /nfs/dbraw/zinc/83/43/09/608834309.db2.gz WDCCITDZLONOFA-CYBMUJFWSA-N 1 1 396.455 1.472 20 10 GDCDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NCCCSc1nccs1 ZINC000806282569 655062805 /nfs/dbraw/zinc/06/28/05/655062805.db2.gz MXLCUSLVKZPTNJ-ZDUSSCGKSA-N 1 1 384.571 1.978 20 10 GDCDMO CS(=O)(=O)NCC1CC[NH+](Cc2cccc(Br)c2O)CC1 ZINC000809694636 655135386 /nfs/dbraw/zinc/13/53/86/655135386.db2.gz RWKHFZKNRKGSCL-UHFFFAOYSA-N 1 1 377.304 1.916 20 10 GDCDMO C[C@H]([NH2+]CCS(=O)(=O)N1CCOCC1)c1cccc(C(F)(F)F)c1O ZINC000815591347 655300290 /nfs/dbraw/zinc/30/02/90/655300290.db2.gz DQZNABQPSYXWLZ-NSHDSACASA-N 1 1 382.404 1.724 20 10 GDCDMO Cc1cc(Br)c(O)c(C[NH2+]CC[C@@H]2CNCCS2(=O)=O)c1 ZINC000903969320 659390676 /nfs/dbraw/zinc/39/06/76/659390676.db2.gz WPPJTZWZKIDACS-GFCCVEGCSA-N 1 1 377.304 1.329 20 10 GDCDMO CNS(=O)(=O)C1CC[NH+](Cc2cc(Br)cc(OC)c2O)CC1 ZINC000372399901 645812008 /nfs/dbraw/zinc/81/20/08/645812008.db2.gz XPXXGPAGGZPMIY-UHFFFAOYSA-N 1 1 393.303 1.677 20 10 GDCDMO COC(=O)[C@H]1CN(Cc2cc(Br)cc(OC)c2O)CC[N@@H+](C)C1 ZINC000840956576 655306251 /nfs/dbraw/zinc/30/62/51/655306251.db2.gz ACFSYZPHHNOJQK-GFCCVEGCSA-N 1 1 387.274 1.700 20 10 GDCDMO C[C@@H]([NH2+]Cc1nnc2c(=O)n(C)ccn12)c1cc(Br)ccc1O ZINC000883334646 657282525 /nfs/dbraw/zinc/28/25/25/657282525.db2.gz DYRLHWHFDBQFAF-SECBINFHSA-N 1 1 378.230 1.747 20 10 GDCDMO Cc1cc(Br)c(O)c(C[NH2+]CCS(=O)(=O)N2CCCC2)c1 ZINC000897830883 658893499 /nfs/dbraw/zinc/89/34/99/658893499.db2.gz TUETUQZAXWTCET-UHFFFAOYSA-N 1 1 377.304 1.978 20 10 GDCDMO C[NH+]1CCN(c2ccc(CN3CC[NH+](C(C)(C)C(=O)[O-])CC3)cc2F)CC1 ZINC001598622496 994027043 /nfs/dbraw/zinc/02/70/43/994027043.db2.gz NJCDCJZLNSKPMZ-UHFFFAOYSA-N 1 1 378.492 1.558 20 10 GDCDMO Cn1cc(S(=O)(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)cn1 ZINC000161827074 530563574 /nfs/dbraw/zinc/56/35/74/530563574.db2.gz SINNAKGYNNDJGF-AWEZNQCLSA-N 1 1 384.889 1.722 20 10 GDCDMO Cn1cc(S(=O)(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)cn1 ZINC000161827074 530563575 /nfs/dbraw/zinc/56/35/75/530563575.db2.gz SINNAKGYNNDJGF-AWEZNQCLSA-N 1 1 384.889 1.722 20 10 GDCDMO CCNS(=O)(=O)[C@H]1CC[N@H+](Cc2cc(Br)cc(C)c2O)C1 ZINC000181555946 530786418 /nfs/dbraw/zinc/78/64/18/530786418.db2.gz NVUZDKVFVLQVPT-ZDUSSCGKSA-N 1 1 377.304 1.977 20 10 GDCDMO CCNS(=O)(=O)[C@H]1CC[N@@H+](Cc2cc(Br)cc(C)c2O)C1 ZINC000181555946 530786421 /nfs/dbraw/zinc/78/64/21/530786421.db2.gz NVUZDKVFVLQVPT-ZDUSSCGKSA-N 1 1 377.304 1.977 20 10 GDCDMO CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000284849175 531998706 /nfs/dbraw/zinc/99/87/06/531998706.db2.gz DPOXFNWAGKNOFZ-UHFFFAOYSA-N 1 1 398.301 1.714 20 10 GDCDMO COc1cc(C[N@@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@H]2C)c(O)cc1C ZINC000826179394 608546268 /nfs/dbraw/zinc/54/62/68/608546268.db2.gz MRJAXYKAYAOONJ-CYBMUJFWSA-N 1 1 396.455 1.390 20 10 GDCDMO COc1cc(C[N@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@H]2C)c(O)cc1C ZINC000826179394 608546270 /nfs/dbraw/zinc/54/62/70/608546270.db2.gz MRJAXYKAYAOONJ-CYBMUJFWSA-N 1 1 396.455 1.390 20 10 GDCDMO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCCSc2nccs2)[C@@H](C)C1 ZINC000806281049 655062579 /nfs/dbraw/zinc/06/25/79/655062579.db2.gz LQEBTQBXYPBBHN-UONOGXRCSA-N 1 1 384.571 1.930 20 10 GDCDMO O=C([C@H]1CCC[N@H+](Cc2cccc(Br)c2[O-])C1)N1CC[NH2+]CC1 ZINC000843047085 655387381 /nfs/dbraw/zinc/38/73/81/655387381.db2.gz NUHNHJLEGIYLFQ-AWEZNQCLSA-N 1 1 382.302 1.799 20 10 GDCDMO CNS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2c(O)cccc2Br)C1 ZINC000862551336 655847475 /nfs/dbraw/zinc/84/74/75/655847475.db2.gz MSIOMAUXPYHTSS-NSHDSACASA-N 1 1 377.304 1.916 20 10 GDCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC[NH+](CC(=O)[O-])CC2)C1 ZINC001591636077 992949171 /nfs/dbraw/zinc/94/91/71/992949171.db2.gz YRIWZPHXONMESI-UHFFFAOYSA-N 1 1 398.507 1.637 20 10 GDCDMO CN(C)c1ccc([C@@H](CNC(=O)N2CC[N@@H+](C)C[C@H](C(=O)[O-])C2)[NH+](C)C)cc1 ZINC001598606907 993678003 /nfs/dbraw/zinc/67/80/03/993678003.db2.gz LOFUXUYVCKXMOG-FUHWJXTLSA-N 1 1 391.516 1.013 20 10 GDCDMO COc1cc(Br)cc(C[N@@H+]2CCc3nn(C)c(=O)cc3C2)c1O ZINC000093756073 530814103 /nfs/dbraw/zinc/81/41/03/530814103.db2.gz ZSVXOKTZMDLRPH-UHFFFAOYSA-N 1 1 380.242 1.815 20 10 GDCDMO COc1cc(Br)cc(C[N@H+]2CCc3nn(C)c(=O)cc3C2)c1O ZINC000093756073 530814105 /nfs/dbraw/zinc/81/41/05/530814105.db2.gz ZSVXOKTZMDLRPH-UHFFFAOYSA-N 1 1 380.242 1.815 20 10 GDCDMO CCOc1cccc(C[N@@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@H]2C)c1O ZINC000825649807 608834122 /nfs/dbraw/zinc/83/41/22/608834122.db2.gz YJVJOZJENGBUBW-CYBMUJFWSA-N 1 1 396.455 1.472 20 10 GDCDMO CCOc1cccc(C[N@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@H]2C)c1O ZINC000825649807 608834125 /nfs/dbraw/zinc/83/41/25/608834125.db2.gz YJVJOZJENGBUBW-CYBMUJFWSA-N 1 1 396.455 1.472 20 10 GDCDMO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1Cc1cc(Br)cc(C)c1O ZINC000775734347 654673873 /nfs/dbraw/zinc/67/38/73/654673873.db2.gz ODPKKMJPNICOMK-ZDUSSCGKSA-N 1 1 377.304 1.977 20 10 GDCDMO O=C(NCc1cc(Br)ccc1O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000805075637 655021811 /nfs/dbraw/zinc/02/18/11/655021811.db2.gz ZREMWBLAPSOQQS-KBPBESRZSA-N 1 1 384.274 1.817 20 10 GDCDMO CC(C)NS(=O)(=O)NCC[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000760045746 655100249 /nfs/dbraw/zinc/10/02/49/655100249.db2.gz IVUZSMPWQNIJLV-SECBINFHSA-N 1 1 398.298 1.777 20 10 GDCDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NCCCSc1nccs1 ZINC000793901621 655126706 /nfs/dbraw/zinc/12/67/06/655126706.db2.gz MZEMJGFLDIVTDJ-UONOGXRCSA-N 1 1 384.571 1.978 20 10 GDCDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(Cc2c(O)cccc2Br)CC1 ZINC000862250681 655843360 /nfs/dbraw/zinc/84/33/60/655843360.db2.gz OGCMHJYOAOHFCR-HNNXBMFYSA-N 1 1 382.302 1.893 20 10 GDCDMO C[C@@H]([NH2+]C[C@@]12COCCN1C(=O)COC2)c1cc(Cl)c(Cl)cc1O ZINC000866552367 655949032 /nfs/dbraw/zinc/94/90/32/655949032.db2.gz IGPZTOLPFICNAV-HWPZZCPQSA-N 1 1 375.252 1.977 20 10 GDCDMO CO[C@@]1(C[NH2+]Cc2cc(C)cc(Br)c2O)CCS(=O)(=O)C1 ZINC000922620224 656497840 /nfs/dbraw/zinc/49/78/40/656497840.db2.gz ZSEGLQVHNNESAF-CQSZACIVSA-N 1 1 378.288 1.756 20 10 GDCDMO COc1cc(Br)cc(C[NH2+]Cc2nnc3c(=O)n(C)ccn23)c1O ZINC000883333816 657282545 /nfs/dbraw/zinc/28/25/45/657282545.db2.gz CUHIKOYWKMIQPE-UHFFFAOYSA-N 1 1 394.229 1.195 20 10 GDCDMO COc1cc(Br)cc(C[N@@H+]2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)c1O ZINC000897619322 658875277 /nfs/dbraw/zinc/87/52/77/658875277.db2.gz SBWMKOXSIMBFKY-PHIMTYICSA-N 1 1 376.272 1.640 20 10 GDCDMO Cc1cc(Br)cc(C[N@H+](C)[C@H]2CCN(S(C)(=O)=O)C2)c1O ZINC000292885715 531386413 /nfs/dbraw/zinc/38/64/13/531386413.db2.gz YGSPYRHVUAQOHB-ZDUSSCGKSA-N 1 1 377.304 1.929 20 10 GDCDMO CNS(=O)(=O)C1CC[NH+](Cc2cc(C)cc(Br)c2O)CC1 ZINC000781913449 654820423 /nfs/dbraw/zinc/82/04/23/654820423.db2.gz RSGYFPDPXDFQAR-UHFFFAOYSA-N 1 1 377.304 1.977 20 10 GDCDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)NCCCSc2nccs2)CC1 ZINC000759579960 655089586 /nfs/dbraw/zinc/08/95/86/655089586.db2.gz MQDYIDFPFUXYKA-UHFFFAOYSA-N 1 1 385.559 1.477 20 10 GDCDMO Cc1cc(O)c(C[N@@H+]2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)c(Cl)c1 ZINC000840938240 655305012 /nfs/dbraw/zinc/30/50/12/655305012.db2.gz ZYZRLJJGZHGTRR-AWEZNQCLSA-N 1 1 388.917 1.980 20 10 GDCDMO Cc1cc(O)c(C[N@H+]2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)c(Cl)c1 ZINC000840938240 655305014 /nfs/dbraw/zinc/30/50/14/655305014.db2.gz ZYZRLJJGZHGTRR-AWEZNQCLSA-N 1 1 388.917 1.980 20 10 GDCDMO NC(=O)c1cn(C2CC[NH+](Cc3cccc(Br)c3O)CC2)nn1 ZINC000862482968 655846897 /nfs/dbraw/zinc/84/68/97/655846897.db2.gz DSPSWFBMFJNVTH-UHFFFAOYSA-N 1 1 380.246 1.682 20 10 GDCDMO CCOCc1cc(C[NH2+]CCS(=O)(=O)N=S(C)(C)=O)ccc1OC ZINC000922492607 656483809 /nfs/dbraw/zinc/48/38/09/656483809.db2.gz ZZGMBVIPNGVAQI-UHFFFAOYSA-N 1 1 378.516 1.379 20 10 GDCDMO C[N@H+](Cc1ccc(S(N)(=O)=O)s1)Cc1ccc(N2CCOCC2)cc1 ZINC000876550860 656612309 /nfs/dbraw/zinc/61/23/09/656612309.db2.gz DMRZFDSEJFPEGY-UHFFFAOYSA-N 1 1 381.523 1.864 20 10 GDCDMO C[N@@H+](Cc1ccc(S(N)(=O)=O)s1)Cc1ccc(N2CCOCC2)cc1 ZINC000876550860 656612313 /nfs/dbraw/zinc/61/23/13/656612313.db2.gz DMRZFDSEJFPEGY-UHFFFAOYSA-N 1 1 381.523 1.864 20 10 GDCDMO NS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)s1 ZINC000876946501 656641890 /nfs/dbraw/zinc/64/18/90/656641890.db2.gz SIUFGMFVZAJKMP-UHFFFAOYSA-N 1 1 385.486 1.661 20 10 GDCDMO CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)c1 ZINC000928095101 656870639 /nfs/dbraw/zinc/87/06/39/656870639.db2.gz DGLXOGVSVNDGLX-KGLIPLIRSA-N 1 1 385.511 1.073 20 10 GDCDMO Cc1cc(C(=O)NCC[N@@H+](C)CCO)c(C)n1-c1ccc(Br)cn1 ZINC000899739910 659057641 /nfs/dbraw/zinc/05/76/41/659057641.db2.gz AFUHUPCJYZIEES-UHFFFAOYSA-N 1 1 395.301 1.906 20 10 GDCDMO NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NCc1cccc(Br)c1O ZINC000277339633 531274997 /nfs/dbraw/zinc/27/49/97/531274997.db2.gz FQDWVBVWIQTMPO-CYBMUJFWSA-N 1 1 399.289 1.294 20 10 GDCDMO COc1cc(Br)cc(C[N@@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)c1O ZINC000366048833 531704244 /nfs/dbraw/zinc/70/42/44/531704244.db2.gz KAJIMYRVZRMUMW-HNNXBMFYSA-N 1 1 384.230 1.337 20 10 GDCDMO COc1cc(Br)cc(C[N@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)c1O ZINC000366048833 531704251 /nfs/dbraw/zinc/70/42/51/531704251.db2.gz KAJIMYRVZRMUMW-HNNXBMFYSA-N 1 1 384.230 1.337 20 10 GDCDMO CC(=O)NCC(=O)N1CCC[N@H+](Cc2cc(Br)cc(C)c2O)CC1 ZINC000529665736 649950601 /nfs/dbraw/zinc/95/06/01/649950601.db2.gz QKENDHQTUPTHIK-UHFFFAOYSA-N 1 1 398.301 1.634 20 10 GDCDMO CC(=O)NCC(=O)N1CCC[N@@H+](Cc2cc(Br)cc(C)c2O)CC1 ZINC000529665736 649950603 /nfs/dbraw/zinc/95/06/03/649950603.db2.gz QKENDHQTUPTHIK-UHFFFAOYSA-N 1 1 398.301 1.634 20 10 GDCDMO COc1cc(O)c(C[NH+]2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)cc1OC ZINC000826181189 608546602 /nfs/dbraw/zinc/54/66/02/608546602.db2.gz OWALYMQOYIVPND-UHFFFAOYSA-N 1 1 397.439 1.307 20 10 GDCDMO O=C(NCCCSc1nccs1)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000848935218 655502202 /nfs/dbraw/zinc/50/22/02/655502202.db2.gz KEUCUFJPTMBNPK-UONOGXRCSA-N 1 1 382.555 1.875 20 10 GDCDMO C[NH+]1CCN(c2ccc(C[NH2+][C@@H](CC3CCOCC3)C(=O)[O-])cc2F)CC1 ZINC001598625116 994074611 /nfs/dbraw/zinc/07/46/11/994074611.db2.gz YTGRRHVNAJLPJW-SFHVURJKSA-N 1 1 379.476 1.937 20 10 GDCDMO Cc1cc(Br)cc(C[N@@H+]2CCCN(S(C)(=O)=O)CC2)c1O ZINC000179661494 530746837 /nfs/dbraw/zinc/74/68/37/530746837.db2.gz XEESQPABPUHSJC-UHFFFAOYSA-N 1 1 377.304 1.930 20 10 GDCDMO Cc1cc(Br)cc(C[N@H+]2CCCN(S(C)(=O)=O)CC2)c1O ZINC000179661494 530746839 /nfs/dbraw/zinc/74/68/39/530746839.db2.gz XEESQPABPUHSJC-UHFFFAOYSA-N 1 1 377.304 1.930 20 10 GDCDMO Cc1cc(C(=O)NC[C@H]2CC[N@H+](C)C2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737235599 598685453 /nfs/dbraw/zinc/68/54/53/598685453.db2.gz VRNHMVZGTDWYKI-OAHLLOKOSA-N 1 1 379.468 1.956 20 10 GDCDMO COc1ccc(N2CCN(CC[NH2+]Cc3ccc(-c4nn[nH]n4)o3)CC2)cc1 ZINC000821832088 599418391 /nfs/dbraw/zinc/41/83/91/599418391.db2.gz ZBGSUQGTLWAEQT-UHFFFAOYSA-N 1 1 383.456 1.380 20 10 GDCDMO COc1cc(C)cc(C[N@@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@H]2C)c1O ZINC000826178415 607846408 /nfs/dbraw/zinc/84/64/08/607846408.db2.gz XFQZTHVLTSLNDR-CYBMUJFWSA-N 1 1 396.455 1.390 20 10 GDCDMO COc1cc(C)cc(C[N@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@H]2C)c1O ZINC000826178415 607846409 /nfs/dbraw/zinc/84/64/09/607846409.db2.gz XFQZTHVLTSLNDR-CYBMUJFWSA-N 1 1 396.455 1.390 20 10 GDCDMO COc1ccc(O)c(C[N@@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@@H]2C)c1 ZINC000826210518 608590330 /nfs/dbraw/zinc/59/03/30/608590330.db2.gz UXECJCJIVLHZIU-LBPRGKRZSA-N 1 1 382.428 1.082 20 10 GDCDMO COc1ccc(O)c(C[N@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@@H]2C)c1 ZINC000826210518 608590331 /nfs/dbraw/zinc/59/03/31/608590331.db2.gz UXECJCJIVLHZIU-LBPRGKRZSA-N 1 1 382.428 1.082 20 10 GDCDMO O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CCN(Cc2cc(Br)ccc2O)CC1 ZINC000863642428 655878034 /nfs/dbraw/zinc/87/80/34/655878034.db2.gz ODVXLUAGLMSKNI-ZBFHGGJFSA-N 1 1 396.285 1.912 20 10 GDCDMO NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]Cc2cc(Br)cc(F)c2[O-])C1 ZINC000882984989 657261251 /nfs/dbraw/zinc/26/12/51/657261251.db2.gz BGVCECGKDYZEIU-NSHDSACASA-N 1 1 388.281 1.971 20 10 GDCDMO COc1cc(Cl)cc(C[N@@H+]2CCCN(S(=O)(=O)N(C)C)CC2)c1O ZINC000368189139 645610900 /nfs/dbraw/zinc/61/09/00/645610900.db2.gz GWWYWIRVTZONEN-UHFFFAOYSA-N 1 1 377.894 1.368 20 10 GDCDMO COc1cc(Cl)cc(C[N@H+]2CCCN(S(=O)(=O)N(C)C)CC2)c1O ZINC000368189139 645610906 /nfs/dbraw/zinc/61/09/06/645610906.db2.gz GWWYWIRVTZONEN-UHFFFAOYSA-N 1 1 377.894 1.368 20 10 GDCDMO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NCCCSc2nccs2)[C@H](C)C1 ZINC000806281048 655062545 /nfs/dbraw/zinc/06/25/45/655062545.db2.gz LQEBTQBXYPBBHN-KGLIPLIRSA-N 1 1 384.571 1.930 20 10 GDCDMO CN1CCN(Cc2cc(Br)cc(Br)c2O)[C@H](C[NH3+])C1 ZINC000843122040 655389003 /nfs/dbraw/zinc/38/90/03/655389003.db2.gz NZPUICXUXMYCDY-LLVKDONJSA-N 1 1 393.123 1.992 20 10 GDCDMO CS(=O)(=O)NC[C@H]1CCC[N@@H+](Cc2c(O)cccc2Br)C1 ZINC000862211756 655841977 /nfs/dbraw/zinc/84/19/77/655841977.db2.gz KROAQSQPOXZMFH-LLVKDONJSA-N 1 1 377.304 1.916 20 10 GDCDMO Cc1cc(Br)cc(C[N@H+]2CCC[C@@H](CS(N)(=O)=O)C2)c1O ZINC000271764713 532051344 /nfs/dbraw/zinc/05/13/44/532051344.db2.gz ZRWSKMHKOBUYJT-LLVKDONJSA-N 1 1 377.304 1.964 20 10 GDCDMO COc1cc(Br)cc(C[N@@H+]2CCC[C@@H]2CS(N)(=O)=O)c1O ZINC000769428175 654463871 /nfs/dbraw/zinc/46/38/71/654463871.db2.gz MUSIAZMOQZCJAT-LLVKDONJSA-N 1 1 379.276 1.416 20 10 GDCDMO COc1cc(Br)cc(C[N@H+]2CCC[C@@H]2CS(N)(=O)=O)c1O ZINC000769428175 654463877 /nfs/dbraw/zinc/46/38/77/654463877.db2.gz MUSIAZMOQZCJAT-LLVKDONJSA-N 1 1 379.276 1.416 20 10 GDCDMO C[C@H]([NH2+]CCN1CCN(S(C)(=O)=O)CC1)c1cc(Cl)c(Cl)cc1O ZINC000774168664 654614595 /nfs/dbraw/zinc/61/45/95/654614595.db2.gz FDQFFJAPUMOTSV-NSHDSACASA-N 1 1 396.340 1.927 20 10 GDCDMO Cc1cc(Br)cc(C[N@@H+](C)CCN2CCCS2(=O)=O)c1O ZINC000775735816 654674186 /nfs/dbraw/zinc/67/41/86/654674186.db2.gz YRRPFLNQWXSBRQ-UHFFFAOYSA-N 1 1 377.304 1.930 20 10 GDCDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)NCCCSc2nccs2)C1 ZINC000806275532 655061712 /nfs/dbraw/zinc/06/17/12/655061712.db2.gz KBSBEQKIUWVBNL-AWEZNQCLSA-N 1 1 384.571 1.836 20 10 GDCDMO Cc1cc(Br)c(O)c(C[NH2+]CCNS(=O)(=O)NC(C)C)c1 ZINC000758559309 655065006 /nfs/dbraw/zinc/06/50/06/655065006.db2.gz DIMJMCQIMHNQTC-UHFFFAOYSA-N 1 1 380.308 1.385 20 10 GDCDMO CS(=O)(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2O)C1 ZINC000824473512 655475771 /nfs/dbraw/zinc/47/57/71/655475771.db2.gz BMLXFBFNPXTLMG-LLVKDONJSA-N 1 1 377.304 1.916 20 10 GDCDMO CN(C)S(=O)(=O)N1CCC[N@H+](Cc2ccc(Br)cc2O)CC1 ZINC000825948942 655495140 /nfs/dbraw/zinc/49/51/40/655495140.db2.gz NEYXECSQFRAQIT-UHFFFAOYSA-N 1 1 392.319 1.469 20 10 GDCDMO CN(C)S(=O)(=O)N1CCC[N@@H+](Cc2ccc(Br)cc2O)CC1 ZINC000825948942 655495141 /nfs/dbraw/zinc/49/51/41/655495141.db2.gz NEYXECSQFRAQIT-UHFFFAOYSA-N 1 1 392.319 1.469 20 10 GDCDMO Cc1cc(Br)c([O-])c(C[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1 ZINC000872256547 656321611 /nfs/dbraw/zinc/32/16/11/656321611.db2.gz WJDFTXWQSSUKAU-CFVMTHIKSA-N 1 1 396.285 1.830 20 10 GDCDMO O=C(NCCCSc1nccs1)C(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000875218641 656520992 /nfs/dbraw/zinc/52/09/92/656520992.db2.gz FPPUSZWSCAZYCE-AWEZNQCLSA-N 1 1 382.555 1.875 20 10 GDCDMO CCN1C(=O)[C@@H]2C[N@H+](Cc3cc(Br)cc(OC)c3O)CCN2C1=O ZINC000369436716 531965340 /nfs/dbraw/zinc/96/53/40/531965340.db2.gz JEMYXLFGXSQUQY-LBPRGKRZSA-N 1 1 398.257 1.632 20 10 GDCDMO CCN1C(=O)[C@@H]2C[N@@H+](Cc3cc(Br)cc(OC)c3O)CCN2C1=O ZINC000369436716 531965349 /nfs/dbraw/zinc/96/53/49/531965349.db2.gz JEMYXLFGXSQUQY-LBPRGKRZSA-N 1 1 398.257 1.632 20 10 GDCDMO COc1cc(Br)cc(C[N@@H+](C)C[C@H](O)CN2CCOCC2)c1O ZINC000093583129 644591824 /nfs/dbraw/zinc/59/18/24/644591824.db2.gz ZOCGDZFFPRYGJP-AWEZNQCLSA-N 1 1 389.290 1.288 20 10 GDCDMO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(Cc2cccc(Br)c2O)CC1 ZINC000093821212 644592474 /nfs/dbraw/zinc/59/24/74/644592474.db2.gz WUBAFWLFIJJGFI-OAHLLOKOSA-N 1 1 382.302 1.893 20 10 GDCDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(Cc2cccc(Br)c2O)CC1 ZINC000093821212 644592476 /nfs/dbraw/zinc/59/24/76/644592476.db2.gz WUBAFWLFIJJGFI-OAHLLOKOSA-N 1 1 382.302 1.893 20 10 GDCDMO CCOC(=O)CN(C)C(=O)C[N@@H+](CC)Cc1cc(Br)ccc1O ZINC000174423146 644899441 /nfs/dbraw/zinc/89/94/41/644899441.db2.gz BISOYOHJSBXCLQ-UHFFFAOYSA-N 1 1 387.274 1.998 20 10 GDCDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)NCCCSc2nccs2)C1 ZINC000803562144 654980082 /nfs/dbraw/zinc/98/00/82/654980082.db2.gz GXWAYLWZPRDJEM-CQSZACIVSA-N 1 1 384.571 1.978 20 10 GDCDMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)NCc1cc(Br)ccc1O ZINC000805304784 655034505 /nfs/dbraw/zinc/03/45/05/655034505.db2.gz SNAUJAMTDOTTBO-CYBMUJFWSA-N 1 1 399.333 1.980 20 10 GDCDMO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NCCCSc2nccs2)[C@@H](C)C1 ZINC000806281047 655062598 /nfs/dbraw/zinc/06/25/98/655062598.db2.gz LQEBTQBXYPBBHN-KBPBESRZSA-N 1 1 384.571 1.930 20 10 GDCDMO Cc1cc(Br)c(O)c(C[NH2+]CCCCn2cc(C(N)=O)nn2)c1 ZINC000840978317 655306578 /nfs/dbraw/zinc/30/65/78/655306578.db2.gz QYUSJCMBNMCBCC-UHFFFAOYSA-N 1 1 382.262 1.724 20 10 GDCDMO COC(=O)CC1([NH2+]Cc2cc(Cl)c(F)cc2O)CCS(=O)(=O)CC1 ZINC000816586943 655329583 /nfs/dbraw/zinc/32/95/83/655329583.db2.gz YIUSPCNVQIABCL-UHFFFAOYSA-N 1 1 379.837 1.785 20 10 GDCDMO COC(=O)c1cnc(SCC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)s1 ZINC000295268699 531551792 /nfs/dbraw/zinc/55/17/92/531551792.db2.gz JJBNWPHEOROCEV-LBPRGKRZSA-N 1 1 387.527 1.495 20 10 GDCDMO CO[C@H](C)CS(=O)(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000374230911 532115533 /nfs/dbraw/zinc/11/55/33/532115533.db2.gz PDXYMONWRZTLLC-IUODEOHRSA-N 1 1 376.906 1.964 20 10 GDCDMO CO[C@H](C)CS(=O)(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000374230911 532115537 /nfs/dbraw/zinc/11/55/37/532115537.db2.gz PDXYMONWRZTLLC-IUODEOHRSA-N 1 1 376.906 1.964 20 10 GDCDMO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCCSc2nccs2)[C@H](C)C1 ZINC000806281050 655062586 /nfs/dbraw/zinc/06/25/86/655062586.db2.gz LQEBTQBXYPBBHN-ZIAGYGMSSA-N 1 1 384.571 1.930 20 10 GDCDMO CC[N@@H+](Cc1cc(Br)ccc1O)CC1(O)CCS(=O)(=O)CC1 ZINC000767412652 655292333 /nfs/dbraw/zinc/29/23/33/655292333.db2.gz WFCOWCJHCSGTIA-UHFFFAOYSA-N 1 1 392.315 1.916 20 10 GDCDMO O=C(NCC(F)F)C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000768077132 655313691 /nfs/dbraw/zinc/31/36/91/655313691.db2.gz FDBAHUNZTKZNLI-GFCCVEGCSA-N 1 1 375.803 1.508 20 10 GDCDMO O=C(NCC(F)F)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000768077132 655313692 /nfs/dbraw/zinc/31/36/92/655313692.db2.gz FDBAHUNZTKZNLI-GFCCVEGCSA-N 1 1 375.803 1.508 20 10 GDCDMO Oc1cc2c(cc1C[N@@H+]1CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C1)OCO2 ZINC000826511011 608055183 /nfs/dbraw/zinc/05/51/83/608055183.db2.gz XTLKTMPWQPSZJH-GOSISDBHSA-N 1 1 381.392 1.875 20 10 GDCDMO Oc1cc2c(cc1C[N@H+]1CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C1)OCO2 ZINC000826511011 608055184 /nfs/dbraw/zinc/05/51/84/608055184.db2.gz XTLKTMPWQPSZJH-GOSISDBHSA-N 1 1 381.392 1.875 20 10 GDCDMO CN(C)c1ccc(C[NH+]2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)cc1F ZINC000825879154 608517103 /nfs/dbraw/zinc/51/71/03/608517103.db2.gz IIZVWWDMIMIHCS-UHFFFAOYSA-N 1 1 382.447 1.789 20 10 GDCDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(Cc2cc(Br)ccc2O)CC1 ZINC000093820857 644592443 /nfs/dbraw/zinc/59/24/43/644592443.db2.gz NYHXQPLQTGVTHM-OAHLLOKOSA-N 1 1 382.302 1.893 20 10 GDCDMO COc1cc(Br)cc(C[N@@H+](C)[C@H]2CCN(S(C)(=O)=O)C2)c1O ZINC000814172125 655258011 /nfs/dbraw/zinc/25/80/11/655258011.db2.gz ZNLVMCHJHBCAQB-LBPRGKRZSA-N 1 1 393.303 1.629 20 10 GDCDMO CS(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2c(O)cccc2Br)C1 ZINC000862211757 655842048 /nfs/dbraw/zinc/84/20/48/655842048.db2.gz KROAQSQPOXZMFH-NSHDSACASA-N 1 1 377.304 1.916 20 10 GDCDMO Cn1nc(Br)nc1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000895333765 658687223 /nfs/dbraw/zinc/68/72/23/658687223.db2.gz DRBIJMZZHRDPPW-UHFFFAOYSA-N 1 1 380.290 1.829 20 10 GDCDMO Cc1cc(O)c(C[N@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@H]2C)cc1C ZINC000822210921 606769415 /nfs/dbraw/zinc/76/94/15/606769415.db2.gz WMGWLZBIESUOQK-CQSZACIVSA-N 1 1 380.456 1.690 20 10 GDCDMO Cc1cc(O)c(C[N@@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@H]2C)cc1C ZINC000822210921 606769416 /nfs/dbraw/zinc/76/94/16/606769416.db2.gz WMGWLZBIESUOQK-CQSZACIVSA-N 1 1 380.456 1.690 20 10 GDCDMO Oc1cc2c(cc1C[N@@H+]1CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C1)OCO2 ZINC000826511012 608055207 /nfs/dbraw/zinc/05/52/07/608055207.db2.gz XTLKTMPWQPSZJH-SFHVURJKSA-N 1 1 381.392 1.875 20 10 GDCDMO Oc1cc2c(cc1C[N@H+]1CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C1)OCO2 ZINC000826511012 608055208 /nfs/dbraw/zinc/05/52/08/608055208.db2.gz XTLKTMPWQPSZJH-SFHVURJKSA-N 1 1 381.392 1.875 20 10 GDCDMO CC(C)(C)OCC(=O)NCCC1=CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001573871055 950609410 /nfs/dbraw/zinc/60/94/10/950609410.db2.gz MNQJEJPPENFAMN-UHFFFAOYSA-N 1 1 385.472 1.720 20 10 GDCDMO C[NH+]1CCN(C(=O)CCNC(=O)NCc2cccc(Br)c2O)CC1 ZINC000277739749 531308211 /nfs/dbraw/zinc/30/82/11/531308211.db2.gz MEWWJOVQIQNSBX-UHFFFAOYSA-N 1 1 399.289 1.118 20 10 GDCDMO CNS(=O)(=O)[C@H]1CC[N@H+](Cc2cc(Br)cc(OC)c2O)C1 ZINC000362642400 531461822 /nfs/dbraw/zinc/46/18/22/531461822.db2.gz SVJCILSTQIQCMV-NSHDSACASA-N 1 1 379.276 1.287 20 10 GDCDMO CNS(=O)(=O)[C@H]1CC[N@@H+](Cc2cc(Br)cc(OC)c2O)C1 ZINC000362642400 531461824 /nfs/dbraw/zinc/46/18/24/531461824.db2.gz SVJCILSTQIQCMV-NSHDSACASA-N 1 1 379.276 1.287 20 10 GDCDMO C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCCCSc3nccs3)CC[C@@H]21 ZINC000806281503 655062582 /nfs/dbraw/zinc/06/25/82/655062582.db2.gz ALJZMJKHMZISTQ-KGLIPLIRSA-N 1 1 382.555 1.684 20 10 GDCDMO C[C@H]([NH2+]C[C@]1(O)CCS(=O)(=O)C1)c1cc(Br)c(F)cc1O ZINC000834871431 655081591 /nfs/dbraw/zinc/08/15/91/655081591.db2.gz OZNNBMZXCSIAAH-ISVAXAHUSA-N 1 1 382.251 1.494 20 10 GDCDMO CNS(=O)(=O)NC1CC[NH+](Cc2cc(C)cc(Br)c2O)CC1 ZINC000811499897 655198661 /nfs/dbraw/zinc/19/86/61/655198661.db2.gz QXDLYADQXGZHJH-UHFFFAOYSA-N 1 1 392.319 1.481 20 10 GDCDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(Cc2ccc(Br)cc2O)CC1 ZINC000824906105 655482119 /nfs/dbraw/zinc/48/21/19/655482119.db2.gz LKGKTDXMEHATCL-OAHLLOKOSA-N 1 1 382.302 1.893 20 10 GDCDMO C[C@H]([NH2+]C[C@@]12COCCN1C(=O)COC2)c1cc(Cl)c(Cl)cc1O ZINC000866552372 655949075 /nfs/dbraw/zinc/94/90/75/655949075.db2.gz IGPZTOLPFICNAV-QFYYESIMSA-N 1 1 375.252 1.977 20 10 GDCDMO CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000371309620 645734131 /nfs/dbraw/zinc/73/41/31/645734131.db2.gz YYXCNYRVTPNHFN-OAHLLOKOSA-N 1 1 382.302 1.893 20 10 GDCDMO CCOCCS(=O)(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000751374165 654885527 /nfs/dbraw/zinc/88/55/27/654885527.db2.gz XDPPBYBSXBUQNA-HNNXBMFYSA-N 1 1 376.906 1.966 20 10 GDCDMO CCOCCS(=O)(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000751374165 654885530 /nfs/dbraw/zinc/88/55/30/654885530.db2.gz XDPPBYBSXBUQNA-HNNXBMFYSA-N 1 1 376.906 1.966 20 10 GDCDMO COc1cc(Br)cc(C[N@@H+](C)[C@@H]2CCN(S(C)(=O)=O)C2)c1O ZINC000814172124 655258176 /nfs/dbraw/zinc/25/81/76/655258176.db2.gz ZNLVMCHJHBCAQB-GFCCVEGCSA-N 1 1 393.303 1.629 20 10 GDCDMO O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@H+](Cc2cccc(Br)c2[O-])C1 ZINC000872254484 656321755 /nfs/dbraw/zinc/32/17/55/656321755.db2.gz FNOSALFZSQCJTA-BNOWGMLFSA-N 1 1 382.258 1.522 20 10 GDCDMO CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@H]2CCC[N@H+]3CCSC[C@@H]23)c1 ZINC000928095100 656870863 /nfs/dbraw/zinc/87/08/63/656870863.db2.gz DGLXOGVSVNDGLX-KBPBESRZSA-N 1 1 385.511 1.073 20 10 GDCDMO C[C@@H]([NH2+]Cc1nnc2c(=O)n(C)ccn12)c1ccc(Br)cc1O ZINC000883334740 657282360 /nfs/dbraw/zinc/28/23/60/657282360.db2.gz GQYCWJGWNTTWMP-SECBINFHSA-N 1 1 378.230 1.747 20 10 GDCDMO Cc1cc(Br)c(O)c(C[NH+]2CCC3(CC2)C[C@H](O)CNC3=O)c1 ZINC000897040230 658820521 /nfs/dbraw/zinc/82/05/21/658820521.db2.gz DTSQFKYDGQPIBQ-ZDUSSCGKSA-N 1 1 383.286 1.926 20 10 GDCDMO C[C@H](CNC(=O)NCc1cccc(Br)c1O)C[NH+]1CCOCC1 ZINC000277469150 531285615 /nfs/dbraw/zinc/28/56/15/531285615.db2.gz OURUTNJTYMMRQA-GFCCVEGCSA-N 1 1 386.290 1.922 20 10 GDCDMO CO[C@@H](C)CS(=O)(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000374230914 532115255 /nfs/dbraw/zinc/11/52/55/532115255.db2.gz PDXYMONWRZTLLC-WFASDCNBSA-N 1 1 376.906 1.964 20 10 GDCDMO CO[C@@H](C)CS(=O)(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000374230914 532115258 /nfs/dbraw/zinc/11/52/58/532115258.db2.gz PDXYMONWRZTLLC-WFASDCNBSA-N 1 1 376.906 1.964 20 10 GDCDMO Oc1cc2c(cc1C[N@@H+]1CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C1)[C@H](O)CO2 ZINC000826510664 608546765 /nfs/dbraw/zinc/54/67/65/608546765.db2.gz DKHRTRHWNJLVTP-IEBWSBKVSA-N 1 1 395.419 1.572 20 10 GDCDMO Oc1cc2c(cc1C[N@H+]1CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C1)[C@H](O)CO2 ZINC000826510664 608546767 /nfs/dbraw/zinc/54/67/67/608546767.db2.gz DKHRTRHWNJLVTP-IEBWSBKVSA-N 1 1 395.419 1.572 20 10 GDCDMO CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000371309619 645733899 /nfs/dbraw/zinc/73/38/99/645733899.db2.gz YYXCNYRVTPNHFN-HNNXBMFYSA-N 1 1 382.302 1.893 20 10 GDCDMO C[NH+]1CCN(CCCCNC(=O)NCc2cc(Br)ccc2O)CC1 ZINC000804912262 655002923 /nfs/dbraw/zinc/00/29/23/655002923.db2.gz SSPOCJCISCGBMR-UHFFFAOYSA-N 1 1 399.333 1.982 20 10 GDCDMO O=C(NCc1cccc(Br)c1O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000764777850 655222936 /nfs/dbraw/zinc/22/29/36/655222936.db2.gz HIFMCBXQOQYRGC-QWHCGFSZSA-N 1 1 384.274 1.817 20 10 GDCDMO COc1cc(Br)cc(C[N@H+]2CCC[C@@H](N3CCNCC3=O)C2)c1O ZINC000843065367 655387869 /nfs/dbraw/zinc/38/78/69/655387869.db2.gz LGGJJLUQKZIFDZ-CQSZACIVSA-N 1 1 398.301 1.560 20 10 GDCDMO CC[N@@H+](Cc1cc(=O)n2nc(N)[nH]c2n1)Cc1cc(Br)ccc1O ZINC000856727545 655715506 /nfs/dbraw/zinc/71/55/06/655715506.db2.gz QCRGUAAOCUNMNT-UHFFFAOYSA-N 1 1 393.245 1.490 20 10 GDCDMO CC[N@@H+](CC(=O)N1CCN(C(C)=O)CC1)Cc1cc(Br)ccc1O ZINC000174424897 530647808 /nfs/dbraw/zinc/64/78/08/530647808.db2.gz QWOAUFRKMSYIGK-UHFFFAOYSA-N 1 1 398.301 1.667 20 10 GDCDMO CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000266871120 531374935 /nfs/dbraw/zinc/37/49/35/531374935.db2.gz UOPXKKXPFQMWGE-OAHLLOKOSA-N 1 1 399.333 1.932 20 10 GDCDMO COC(=O)c1cnc(SCC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)s1 ZINC000295268695 531552694 /nfs/dbraw/zinc/55/26/94/531552694.db2.gz JJBNWPHEOROCEV-GFCCVEGCSA-N 1 1 387.527 1.495 20 10 GDCDMO COC(=O)c1cn([C@H]2CC[N@@H+](Cc3cc(Br)ccc3O)C2)nn1 ZINC000375203565 532153558 /nfs/dbraw/zinc/15/35/58/532153558.db2.gz VYPSYBSLYDLCRR-LBPRGKRZSA-N 1 1 381.230 1.980 20 10 GDCDMO CC[N@H+](CC(=O)N[C@@H](C)C(=O)N(C)C)Cc1cc(Br)ccc1O ZINC000174423281 644900026 /nfs/dbraw/zinc/90/00/26/644900026.db2.gz OHCDMWIYCJYPJQ-NSHDSACASA-N 1 1 386.290 1.570 20 10 GDCDMO CC[N@@H+](CC(=O)N[C@@H](C)C(=O)N(C)C)Cc1cc(Br)ccc1O ZINC000174423281 644900028 /nfs/dbraw/zinc/90/00/28/644900028.db2.gz OHCDMWIYCJYPJQ-NSHDSACASA-N 1 1 386.290 1.570 20 10 GDCDMO CN(C)c1[nH+]cc(CNC(=O)NCc2cc(Br)ccc2O)n1C ZINC000805187215 655031001 /nfs/dbraw/zinc/03/10/01/655031001.db2.gz GIAQVOMLKQXCJZ-UHFFFAOYSA-N 1 1 382.262 1.954 20 10 GDCDMO CNS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000862552485 655847464 /nfs/dbraw/zinc/84/74/64/655847464.db2.gz ZWKNLAPOBNKWFE-NSHDSACASA-N 1 1 377.304 1.916 20 10 GDCDMO O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CCN(Cc2cc(Br)ccc2O)C1 ZINC000872254361 656321770 /nfs/dbraw/zinc/32/17/70/656321770.db2.gz AXCGBECSNSCWJQ-NFAWXSAZSA-N 1 1 382.258 1.522 20 10 GDCDMO O=S(=O)(C[C@@H]1CCOC1)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000364436242 531564984 /nfs/dbraw/zinc/56/49/84/531564984.db2.gz XWMRHEDEDOZTAW-CJNGLKHVSA-N 1 1 388.917 1.966 20 10 GDCDMO O=S(=O)(C[C@@H]1CCOC1)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000364436242 531564992 /nfs/dbraw/zinc/56/49/92/531564992.db2.gz XWMRHEDEDOZTAW-CJNGLKHVSA-N 1 1 388.917 1.966 20 10 GDCDMO Cc1cc(Br)c(O)c(C[NH2+]CCCN2CCCS2(=O)=O)c1 ZINC000781918813 654820476 /nfs/dbraw/zinc/82/04/76/654820476.db2.gz STUZAROSGIJUAF-UHFFFAOYSA-N 1 1 377.304 1.978 20 10 GDCDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)NCCCSc2nccs2)C1 ZINC000803562143 654980052 /nfs/dbraw/zinc/98/00/52/654980052.db2.gz GXWAYLWZPRDJEM-AWEZNQCLSA-N 1 1 384.571 1.978 20 10 GDCDMO C[N@H+](CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)Cc1ccccc1O ZINC000760839650 655127768 /nfs/dbraw/zinc/12/77/68/655127768.db2.gz CBALIRJDHSXHBX-UHFFFAOYSA-N 1 1 383.857 1.764 20 10 GDCDMO C[N@@H+](CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)Cc1ccccc1O ZINC000760839650 655127770 /nfs/dbraw/zinc/12/77/70/655127770.db2.gz CBALIRJDHSXHBX-UHFFFAOYSA-N 1 1 383.857 1.764 20 10 GDCDMO Cc1cc(Br)cc(C[N@H+]2CCC[C@@H](N3CCNCC3=O)C2)c1O ZINC000843063973 655387908 /nfs/dbraw/zinc/38/79/08/655387908.db2.gz CYJVTLYXTKQPQI-OAHLLOKOSA-N 1 1 382.302 1.859 20 10 GDCDMO Cc1cc(Br)c([O-])c(C[N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1 ZINC000872256548 656321812 /nfs/dbraw/zinc/32/18/12/656321812.db2.gz WJDFTXWQSSUKAU-YUELXQCFSA-N 1 1 396.285 1.830 20 10 GDCDMO COC[C@@H](C)S(=O)(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000161830038 530563882 /nfs/dbraw/zinc/56/38/82/530563882.db2.gz BKSFUHHUCZVHLW-DOMZBBRYSA-N 1 1 376.906 1.964 20 10 GDCDMO COC[C@@H](C)S(=O)(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000161830038 530563885 /nfs/dbraw/zinc/56/38/85/530563885.db2.gz BKSFUHHUCZVHLW-DOMZBBRYSA-N 1 1 376.906 1.964 20 10 GDCDMO Cc1cc(Br)cc(C[N@H+](C)[C@@H]2CCN(S(C)(=O)=O)C2)c1O ZINC000292885710 531386134 /nfs/dbraw/zinc/38/61/34/531386134.db2.gz YGSPYRHVUAQOHB-CYBMUJFWSA-N 1 1 377.304 1.929 20 10 GDCDMO O=S(=O)(CC[NH2+]Cc1cc(Cl)c(F)cc1O)NC[C@@H]1CCCCO1 ZINC000293606865 531431951 /nfs/dbraw/zinc/43/19/51/531431951.db2.gz LMTDGZNJAOYSCH-LBPRGKRZSA-N 1 1 380.869 1.763 20 10 GDCDMO CN(CC(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)S(C)(=O)=O ZINC000370693799 645697375 /nfs/dbraw/zinc/69/73/75/645697375.db2.gz GGHIDJSLKNHXPB-AWEZNQCLSA-N 1 1 389.905 1.018 20 10 GDCDMO C[C@H]([NH2+]CC1(O)CCS(=O)(=O)CC1)c1cc(Br)c(F)cc1O ZINC000756612797 655024450 /nfs/dbraw/zinc/02/44/50/655024450.db2.gz YEDUSPSPEYDZBO-VIFPVBQESA-N 1 1 396.278 1.884 20 10 GDCDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCCCSc1nccs1 ZINC000793901620 655126645 /nfs/dbraw/zinc/12/66/45/655126645.db2.gz MZEMJGFLDIVTDJ-KGLIPLIRSA-N 1 1 384.571 1.978 20 10 GDCDMO Cc1cc(Br)c(O)c(C[NH+]2CCC3(CC2)NC(=O)N(C)C3=O)c1 ZINC000809749048 655136062 /nfs/dbraw/zinc/13/60/62/655136062.db2.gz AXQXYEXMHZWJCL-UHFFFAOYSA-N 1 1 382.258 1.979 20 10 GDCDMO Cc1cc(O)c(C[N@@H+]2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)cc1Cl ZINC000825460840 655489619 /nfs/dbraw/zinc/48/96/19/655489619.db2.gz ABJPNWAMPLPSBJ-HNNXBMFYSA-N 1 1 388.917 1.980 20 10 GDCDMO Cc1cc(O)c(C[N@H+]2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)cc1Cl ZINC000825460840 655489621 /nfs/dbraw/zinc/48/96/21/655489621.db2.gz ABJPNWAMPLPSBJ-HNNXBMFYSA-N 1 1 388.917 1.980 20 10 GDCDMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NCc1cccc(Br)c1O ZINC000277339638 531275025 /nfs/dbraw/zinc/27/50/25/531275025.db2.gz FQDWVBVWIQTMPO-ZDUSSCGKSA-N 1 1 399.289 1.294 20 10 GDCDMO C[N@H+](Cc1ccc(N2CCOCC2)cc1)C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821610990 606883277 /nfs/dbraw/zinc/88/32/77/606883277.db2.gz MUBZOTDBLIRAPL-HXUWFJFHSA-N 1 1 394.479 1.869 20 10 GDCDMO Cc1nn(C)c(C[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)c1Cl ZINC000921737612 660328505 /nfs/dbraw/zinc/32/85/05/660328505.db2.gz INOFWXSWXBEWSS-UHFFFAOYSA-N 1 1 382.917 1.907 20 10 GDCDMO CNC(=O)C[NH+]1CCC(NC(=O)NCc2cc(Br)ccc2O)CC1 ZINC000804909994 655002894 /nfs/dbraw/zinc/00/28/94/655002894.db2.gz XXXVGZULEUBYFC-UHFFFAOYSA-N 1 1 399.289 1.164 20 10 GDCDMO C[C@@H](CNC(=O)NCc1cc(Br)ccc1O)C[NH+]1CCOCC1 ZINC000805185358 655031012 /nfs/dbraw/zinc/03/10/12/655031012.db2.gz FYIWURHXIHOUFM-LBPRGKRZSA-N 1 1 386.290 1.922 20 10 GDCDMO CN1CC[NH+](C(C)(C)CNC(=O)NCc2cc(Br)ccc2O)CC1 ZINC000806362357 655063857 /nfs/dbraw/zinc/06/38/57/655063857.db2.gz RWKMVXYJSTUNEP-UHFFFAOYSA-N 1 1 399.333 1.980 20 10 GDCDMO COc1cc(Br)cc(C[N@H+]2CC[C@H](CS(N)(=O)=O)C2)c1O ZINC000897057414 658821736 /nfs/dbraw/zinc/82/17/36/658821736.db2.gz BGAOYJPVWGQDNZ-VIFPVBQESA-N 1 1 379.276 1.274 20 10 GDCDMO O=S(=O)(CC[NH2+]Cc1cc(Cl)c(F)cc1O)NC[C@H]1CCCCO1 ZINC000293606862 531432403 /nfs/dbraw/zinc/43/24/03/531432403.db2.gz LMTDGZNJAOYSCH-GFCCVEGCSA-N 1 1 380.869 1.763 20 10 GDCDMO COc1cccc(C[N@@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@@H]2C)c1O ZINC000826216301 608841615 /nfs/dbraw/zinc/84/16/15/608841615.db2.gz RTVLTIQLIUGIQZ-LBPRGKRZSA-N 1 1 382.428 1.082 20 10 GDCDMO COc1cccc(C[N@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@@H]2C)c1O ZINC000826216301 608841619 /nfs/dbraw/zinc/84/16/19/608841619.db2.gz RTVLTIQLIUGIQZ-LBPRGKRZSA-N 1 1 382.428 1.082 20 10 GDCDMO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)NCCCSc2nccs2)C1 ZINC000806278894 655062154 /nfs/dbraw/zinc/06/21/54/655062154.db2.gz YXDULNOHSVDDMB-KGLIPLIRSA-N 1 1 382.555 1.684 20 10 GDCDMO C[C@@H]([NH2+]C[C@@]1(O)CCS(=O)(=O)C1)c1cc(Br)c(F)cc1O ZINC000834871434 655081709 /nfs/dbraw/zinc/08/17/09/655081709.db2.gz OZNNBMZXCSIAAH-OQPBUACISA-N 1 1 382.251 1.494 20 10 GDCDMO C[C@@H]([NH2+]C[C@]1(O)CCS(=O)(=O)C1)c1cc(Br)c(F)cc1O ZINC000834871427 655081719 /nfs/dbraw/zinc/08/17/19/655081719.db2.gz OZNNBMZXCSIAAH-AMIZOPFISA-N 1 1 382.251 1.494 20 10 GDCDMO CC[N@H+](Cc1cc(Br)ccc1O)C[C@H](O)CN(C)CCOC ZINC000846808948 655461125 /nfs/dbraw/zinc/46/11/25/655461125.db2.gz VWNXPKRSWCLXGR-OAHLLOKOSA-N 1 1 375.307 1.916 20 10 GDCDMO CN(C)c1ccc([C@@H](CNC(=O)N2CC[N@@H+](C)C[C@@H](C(=O)[O-])C2)[NH+](C)C)cc1 ZINC001598606908 993678789 /nfs/dbraw/zinc/67/87/89/993678789.db2.gz LOFUXUYVCKXMOG-SJLPKXTDSA-N 1 1 391.516 1.013 20 10 GDCDMO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1Cc1cc2c(cc1O)CCC2 ZINC000820804807 606769425 /nfs/dbraw/zinc/76/94/25/606769425.db2.gz ZTFHHDZGYWZMCN-ZDUSSCGKSA-N 1 1 392.467 1.562 20 10 GDCDMO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@H+]1Cc1cc2c(cc1O)CCC2 ZINC000820804807 606769426 /nfs/dbraw/zinc/76/94/26/606769426.db2.gz ZTFHHDZGYWZMCN-ZDUSSCGKSA-N 1 1 392.467 1.562 20 10 GDCDMO Oc1cc2c(cc1C[N@@H+]1CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C1)[C@@H](O)CO2 ZINC000826510663 608547054 /nfs/dbraw/zinc/54/70/54/608547054.db2.gz DKHRTRHWNJLVTP-HKUYNNGSSA-N 1 1 395.419 1.572 20 10 GDCDMO Oc1cc2c(cc1C[N@H+]1CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C1)[C@@H](O)CO2 ZINC000826510663 608547056 /nfs/dbraw/zinc/54/70/56/608547056.db2.gz DKHRTRHWNJLVTP-HKUYNNGSSA-N 1 1 395.419 1.572 20 10 GDCDMO O=C1C[C@@H]([NH2+]Cc2cccc(Br)c2O)CN1CCN1CCOCC1 ZINC000178902841 644927625 /nfs/dbraw/zinc/92/76/25/644927625.db2.gz QXLYHQYVLZYRGL-CQSZACIVSA-N 1 1 398.301 1.177 20 10 GDCDMO CO[C@]1(C[NH2+]Cc2cc(C)cc(Br)c2O)CCS(=O)(=O)C1 ZINC000922620222 656497754 /nfs/dbraw/zinc/49/77/54/656497754.db2.gz ZSEGLQVHNNESAF-AWEZNQCLSA-N 1 1 378.288 1.756 20 10 GDCDMO COc1cc(C[N@@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@@H]2C)c(O)cc1C ZINC000826179395 608546623 /nfs/dbraw/zinc/54/66/23/608546623.db2.gz MRJAXYKAYAOONJ-ZDUSSCGKSA-N 1 1 396.455 1.390 20 10 GDCDMO COc1cc(C[N@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@@H]2C)c(O)cc1C ZINC000826179395 608546624 /nfs/dbraw/zinc/54/66/24/608546624.db2.gz MRJAXYKAYAOONJ-ZDUSSCGKSA-N 1 1 396.455 1.390 20 10 GDCDMO COCCCS(=O)(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000371868107 645765464 /nfs/dbraw/zinc/76/54/64/645765464.db2.gz PSLHGCBTDSQQRR-OAHLLOKOSA-N 1 1 376.906 1.966 20 10 GDCDMO COCCCS(=O)(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000371868107 645765466 /nfs/dbraw/zinc/76/54/66/645765466.db2.gz PSLHGCBTDSQQRR-OAHLLOKOSA-N 1 1 376.906 1.966 20 10 GDCDMO COc1cc(Br)cc(C[N@H+]2CCC[C@@H](CS(N)(=O)=O)C2)c1O ZINC000769385049 654458352 /nfs/dbraw/zinc/45/83/52/654458352.db2.gz SFMBOHRJJSWSSI-SNVBAGLBSA-N 1 1 393.303 1.664 20 10 GDCDMO Cc1cc(Cl)cc(C[N@H+]2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)c1O ZINC000779607903 654764853 /nfs/dbraw/zinc/76/48/53/654764853.db2.gz QJNFZLVDSIUKSE-INIZCTEOSA-N 1 1 388.917 1.980 20 10 GDCDMO Cn1cnc(S(=O)(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)c1 ZINC000751373134 654885215 /nfs/dbraw/zinc/88/52/15/654885215.db2.gz RRVSIVIGRKRSIN-CQSZACIVSA-N 1 1 384.889 1.722 20 10 GDCDMO Cn1cnc(S(=O)(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)c1 ZINC000751373134 654885217 /nfs/dbraw/zinc/88/52/17/654885217.db2.gz RRVSIVIGRKRSIN-CQSZACIVSA-N 1 1 384.889 1.722 20 10 GDCDMO Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)NCCCSc1nccs1 ZINC000806279590 655062344 /nfs/dbraw/zinc/06/23/44/655062344.db2.gz SVWIVFTZNKFICE-UHFFFAOYSA-N 1 1 381.527 1.795 20 10 GDCDMO C[C@H](CNC(=O)C(=O)NCCCSc1nccs1)[N@H+]1CCC[C@@H](C)C1 ZINC000806280739 655062556 /nfs/dbraw/zinc/06/25/56/655062556.db2.gz TUCRNMUUHFGZKM-ZIAGYGMSSA-N 1 1 384.571 1.978 20 10 GDCDMO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)NCCCSc2nccs2)C1 ZINC000759581158 655089964 /nfs/dbraw/zinc/08/99/64/655089964.db2.gz KXVAWBQXPQXOTF-ZDUSSCGKSA-N 1 1 385.559 1.512 20 10 GDCDMO Cc1cc(Br)c(O)c(C[N@@H+](C)[C@H]2CCN(S(C)(=O)=O)C2)c1 ZINC000814170781 655257778 /nfs/dbraw/zinc/25/77/78/655257778.db2.gz CGDJGSXRCDSVHV-LBPRGKRZSA-N 1 1 377.304 1.929 20 10 GDCDMO Cc1cc(Br)c(O)c(C[N@H+](C)[C@H]2CCN(S(C)(=O)=O)C2)c1 ZINC000814170781 655257779 /nfs/dbraw/zinc/25/77/79/655257779.db2.gz CGDJGSXRCDSVHV-LBPRGKRZSA-N 1 1 377.304 1.929 20 10 GDCDMO CNS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2cccc(Br)c2O)C1 ZINC000862550123 655847242 /nfs/dbraw/zinc/84/72/42/655847242.db2.gz BWEXBGBMZOAFHJ-LLVKDONJSA-N 1 1 377.304 1.916 20 10 GDCDMO CNS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000862550123 655847244 /nfs/dbraw/zinc/84/72/44/655847244.db2.gz BWEXBGBMZOAFHJ-LLVKDONJSA-N 1 1 377.304 1.916 20 10 GDCDMO COc1cc(Br)cc(C[N@@H+]2CC[C@H](NS(C)(=O)=O)C2)c1O ZINC000093530838 644591835 /nfs/dbraw/zinc/59/18/35/644591835.db2.gz WEERFGAJRZHBEE-NSHDSACASA-N 1 1 379.276 1.287 20 10 GDCDMO COc1cc(Br)cc(C[N@H+]2CC[C@H](NS(C)(=O)=O)C2)c1O ZINC000093530838 644591837 /nfs/dbraw/zinc/59/18/37/644591837.db2.gz WEERFGAJRZHBEE-NSHDSACASA-N 1 1 379.276 1.287 20 10 GDCDMO C[C@H](CNC(=O)NCc1cc(Br)ccc1O)C[NH+]1CCOCC1 ZINC000805185356 655031044 /nfs/dbraw/zinc/03/10/44/655031044.db2.gz FYIWURHXIHOUFM-GFCCVEGCSA-N 1 1 386.290 1.922 20 10 GDCDMO O=C(NCc1cccc(Br)c1O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000764777846 655222903 /nfs/dbraw/zinc/22/29/03/655222903.db2.gz HIFMCBXQOQYRGC-OLZOCXBDSA-N 1 1 384.274 1.817 20 10 GDCDMO C[C@H]([NH2+][C@@H]1CCN(S(C)(=O)=O)C1)c1cc(Br)c(F)cc1O ZINC000846191326 655449540 /nfs/dbraw/zinc/44/95/40/655449540.db2.gz YAIWOMWEWPRTFT-DTWKUNHWSA-N 1 1 381.267 1.978 20 10 GDCDMO CC[N@H+](Cc1cc(Br)ccc1O)C[C@@H](O)CN(C)CCOC ZINC000846808947 655461054 /nfs/dbraw/zinc/46/10/54/655461054.db2.gz VWNXPKRSWCLXGR-HNNXBMFYSA-N 1 1 375.307 1.916 20 10 GDCDMO O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CCN(Cc2cc(Br)ccc2O)C1 ZINC000872254360 656321698 /nfs/dbraw/zinc/32/16/98/656321698.db2.gz AXCGBECSNSCWJQ-GUTXKFCHSA-N 1 1 382.258 1.522 20 10 GDCDMO Cc1cc(Br)cc(C[N@@H+]2C[C@@H](C)[C@H](CS(N)(=O)=O)C2)c1O ZINC000897610345 658872847 /nfs/dbraw/zinc/87/28/47/658872847.db2.gz QIFMRGXIVRQYDV-PWSUYJOCSA-N 1 1 377.304 1.820 20 10 GDCDMO O=S(=O)(C[C@@H]1CCOC1)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000364436243 531565653 /nfs/dbraw/zinc/56/56/53/531565653.db2.gz XWMRHEDEDOZTAW-CZUORRHYSA-N 1 1 388.917 1.966 20 10 GDCDMO O=S(=O)(C[C@@H]1CCOC1)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000364436243 531565664 /nfs/dbraw/zinc/56/56/64/531565664.db2.gz XWMRHEDEDOZTAW-CZUORRHYSA-N 1 1 388.917 1.966 20 10 GDCDMO COC(=O)CC[N@@H+]1CCN(C(=O)NCCCSc2nccs2)[C@@H](C)C1 ZINC000775442629 654666684 /nfs/dbraw/zinc/66/66/84/654666684.db2.gz GIURYJIJQNFIMB-ZDUSSCGKSA-N 1 1 386.543 1.904 20 10 GDCDMO COC(=O)CC[N@H+]1CCN(C(=O)NCCCSc2nccs2)[C@@H](C)C1 ZINC000775442629 654666687 /nfs/dbraw/zinc/66/66/87/654666687.db2.gz GIURYJIJQNFIMB-ZDUSSCGKSA-N 1 1 386.543 1.904 20 10 GDCDMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NCCCSc1nccs1 ZINC000806282568 655062877 /nfs/dbraw/zinc/06/28/77/655062877.db2.gz MXLCUSLVKZPTNJ-CYBMUJFWSA-N 1 1 384.571 1.978 20 10 GDCDMO CN(C)C(=O)CC[NH+]1CCN(C(=O)NCCCSc2nccs2)CC1 ZINC000761768966 655149537 /nfs/dbraw/zinc/14/95/37/655149537.db2.gz ACTNJRPPPGAVIK-UHFFFAOYSA-N 1 1 385.559 1.431 20 10 GDCDMO C[C@@H]([NH2+][C@H]1CCN(S(C)(=O)=O)C1)c1cc(Br)c(F)cc1O ZINC000846191325 655449550 /nfs/dbraw/zinc/44/95/50/655449550.db2.gz YAIWOMWEWPRTFT-BDAKNGLRSA-N 1 1 381.267 1.978 20 10 GDCDMO CS(C)(=O)=NS(=O)(=O)CC[NH2+]Cc1c(O)cccc1Br ZINC000922490601 656482631 /nfs/dbraw/zinc/48/26/31/656482631.db2.gz SDMJMHSBHGXRGK-UHFFFAOYSA-N 1 1 385.305 1.302 20 10 GDCDMO C[C@H]([NH2+]Cc1nnc2c(=O)n(C)ccn12)c1ccc(Br)cc1O ZINC000883334741 657282514 /nfs/dbraw/zinc/28/25/14/657282514.db2.gz GQYCWJGWNTTWMP-VIFPVBQESA-N 1 1 378.230 1.747 20 10 GDCDMO Cc1cc(Br)c(O)c(C[N@H+]2C[C@@H](C)[C@H](CS(N)(=O)=O)C2)c1 ZINC000897610762 658873629 /nfs/dbraw/zinc/87/36/29/658873629.db2.gz VYEMNRMVEBUIML-PWSUYJOCSA-N 1 1 377.304 1.820 20 10 GDCDMO Cc1cc(Br)c(O)c(C[N@@H+]2C[C@@H](C)[C@H](CS(N)(=O)=O)C2)c1 ZINC000897610762 658873635 /nfs/dbraw/zinc/87/36/35/658873635.db2.gz VYEMNRMVEBUIML-PWSUYJOCSA-N 1 1 377.304 1.820 20 10 GDCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NCC[NH+](C)CC(=O)[O-])C1 ZINC001591635509 992944273 /nfs/dbraw/zinc/94/42/73/992944273.db2.gz OPZRFLAJJSHTGV-UHFFFAOYSA-N 1 1 386.496 1.540 20 10 GDCDMO CC(C)[NH+]1CCc2c(c3ccccc3n2CC(=O)NCC[N@H+](C)CC(=O)[O-])C1 ZINC001591635509 992944279 /nfs/dbraw/zinc/94/42/79/992944279.db2.gz OPZRFLAJJSHTGV-UHFFFAOYSA-N 1 1 386.496 1.540 20 10 GDCDMO CC(C)[NH+]1CCc2c(c3ccccc3n2CC(=O)NCC[N@@H+](C)CC(=O)[O-])C1 ZINC001591635509 992944290 /nfs/dbraw/zinc/94/42/90/992944290.db2.gz OPZRFLAJJSHTGV-UHFFFAOYSA-N 1 1 386.496 1.540 20 10 GDCDMO COC[C@@H](C)S(=O)(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000161829777 530563627 /nfs/dbraw/zinc/56/36/27/530563627.db2.gz BKSFUHHUCZVHLW-IUODEOHRSA-N 1 1 376.906 1.964 20 10 GDCDMO COC[C@@H](C)S(=O)(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000161829777 530563629 /nfs/dbraw/zinc/56/36/29/530563629.db2.gz BKSFUHHUCZVHLW-IUODEOHRSA-N 1 1 376.906 1.964 20 10 GDCDMO CN(C)S(=O)(=O)N1CCC[N@H+](Cc2cc(Br)ccc2O)CC1 ZINC000367975626 531882522 /nfs/dbraw/zinc/88/25/22/531882522.db2.gz ZFYMXPXNELHGSC-UHFFFAOYSA-N 1 1 392.319 1.469 20 10 GDCDMO CN(C)S(=O)(=O)N1CCC[N@@H+](Cc2cc(Br)ccc2O)CC1 ZINC000367975626 531882527 /nfs/dbraw/zinc/88/25/27/531882527.db2.gz ZFYMXPXNELHGSC-UHFFFAOYSA-N 1 1 392.319 1.469 20 10 GDCDMO CN(C)c1ccc(CNC(=O)C[N@H+](C)CCn2cc(Br)cn2)cc1 ZINC000288854457 532309903 /nfs/dbraw/zinc/30/99/03/532309903.db2.gz PIEUACXHKQUGBB-UHFFFAOYSA-N 1 1 394.317 1.960 20 10 GDCDMO CN(C)c1ccc(CNC(=O)C[N@@H+](C)CCn2cc(Br)cn2)cc1 ZINC000288854457 532309905 /nfs/dbraw/zinc/30/99/05/532309905.db2.gz PIEUACXHKQUGBB-UHFFFAOYSA-N 1 1 394.317 1.960 20 10 GDCDMO O=C1[C@@H]([NH2+]Cc2cccc(F)c2O)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476848 609176864 /nfs/dbraw/zinc/17/68/64/609176864.db2.gz QKKVCFOYBUXIQO-INIZCTEOSA-N 1 1 382.399 1.997 20 10 GDCDMO COCCN(C)S(=O)(=O)[C@H]1CCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000754153401 654966555 /nfs/dbraw/zinc/96/65/55/654966555.db2.gz HGNRJWCMSWVPNY-ZDUSSCGKSA-N 1 1 376.906 1.918 20 10 GDCDMO COCCN(C)S(=O)(=O)[C@H]1CCC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000754153401 654966556 /nfs/dbraw/zinc/96/65/56/654966556.db2.gz HGNRJWCMSWVPNY-ZDUSSCGKSA-N 1 1 376.906 1.918 20 10 GDCDMO COC(=O)c1cn([C@H]2CC[N@@H+](Cc3c(O)cccc3Br)C2)nn1 ZINC000862325443 655844295 /nfs/dbraw/zinc/84/42/95/655844295.db2.gz BRWMOFOEYNLKSA-JTQLQIEISA-N 1 1 381.230 1.980 20 10 GDCDMO Cc1cc(Br)cc(CN2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1O ZINC000872255877 656321735 /nfs/dbraw/zinc/32/17/35/656321735.db2.gz NOMNZZUVDSADSQ-ZNMIVQPWSA-N 1 1 396.285 1.830 20 10 GDCDMO COCCCNC(=O)C[N@H+](C)Cc1cc(Br)cc(OC)c1O ZINC000121425776 644679632 /nfs/dbraw/zinc/67/96/32/644679632.db2.gz YOLJRIVCLBESIY-UHFFFAOYSA-N 1 1 375.263 1.748 20 10 GDCDMO COCCCNC(=O)C[N@@H+](C)Cc1cc(Br)cc(OC)c1O ZINC000121425776 644679637 /nfs/dbraw/zinc/67/96/37/644679637.db2.gz YOLJRIVCLBESIY-UHFFFAOYSA-N 1 1 375.263 1.748 20 10 GDCDMO CS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2cccc(Br)c2O)C1 ZINC000772597222 654566254 /nfs/dbraw/zinc/56/62/54/654566254.db2.gz COXCWKGEFNSSBL-NSHDSACASA-N 1 1 377.304 1.916 20 10 GDCDMO CS(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000772597222 654566255 /nfs/dbraw/zinc/56/62/55/654566255.db2.gz COXCWKGEFNSSBL-NSHDSACASA-N 1 1 377.304 1.916 20 10 GDCDMO C[C@@H](CNC(=O)C(=O)NCCCSc1nccs1)[N@H+]1CCC[C@H](C)C1 ZINC000806280736 655062600 /nfs/dbraw/zinc/06/26/00/655062600.db2.gz TUCRNMUUHFGZKM-KBPBESRZSA-N 1 1 384.571 1.978 20 10 GDCDMO COCc1cnc(C[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)s1 ZINC000850356799 655552929 /nfs/dbraw/zinc/55/29/29/655552929.db2.gz XFHQRWSHRUJNDU-UHFFFAOYSA-N 1 1 381.523 1.814 20 10 GDCDMO COC(=O)c1cn([C@@H]2CC[N@@H+](Cc3c(O)cccc3Br)C2)nn1 ZINC000862325444 655844262 /nfs/dbraw/zinc/84/42/62/655844262.db2.gz BRWMOFOEYNLKSA-SNVBAGLBSA-N 1 1 381.230 1.980 20 10 GDCDMO CC(=O)NCC(=O)N1CCC[N@H+](Cc2c(O)cccc2Br)CC1 ZINC000862505414 655847081 /nfs/dbraw/zinc/84/70/81/655847081.db2.gz MUQMOIHDSCDLGG-UHFFFAOYSA-N 1 1 384.274 1.325 20 10 GDCDMO CC(=O)NCC(=O)N1CCC[N@@H+](Cc2c(O)cccc2Br)CC1 ZINC000862505414 655847085 /nfs/dbraw/zinc/84/70/85/655847085.db2.gz MUQMOIHDSCDLGG-UHFFFAOYSA-N 1 1 384.274 1.325 20 10 GDCDMO Cn1ncc(I)c1C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000865868676 655928787 /nfs/dbraw/zinc/92/87/87/655928787.db2.gz UNNUUNNKDIZGSU-UHFFFAOYSA-N 1 1 387.177 1.749 20 10 GDCDMO CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@H]2CCC[N@H+]3CCSC[C@H]23)c1 ZINC000928095102 656870731 /nfs/dbraw/zinc/87/07/31/656870731.db2.gz DGLXOGVSVNDGLX-UONOGXRCSA-N 1 1 385.511 1.073 20 10 GDCDMO Cc1cc(Br)cc(C[NH2+]Cc2nnc3c(=O)n(C)ccn23)c1O ZINC000895637920 658717065 /nfs/dbraw/zinc/71/70/65/658717065.db2.gz AFXYOKSSWKZNCM-UHFFFAOYSA-N 1 1 378.230 1.494 20 10 GDCDMO COCCN(C)S(=O)(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000378236103 532283652 /nfs/dbraw/zinc/28/36/52/532283652.db2.gz RWASSSALMGKLCB-HNNXBMFYSA-N 1 1 391.921 1.423 20 10 GDCDMO COCCN(C)S(=O)(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000378236105 532283742 /nfs/dbraw/zinc/28/37/42/532283742.db2.gz RWASSSALMGKLCB-OAHLLOKOSA-N 1 1 391.921 1.423 20 10 GDCDMO O=C(N1CC[NH2+]CC1)N1CCN(Cc2cccc(Br)c2O)CC1 ZINC000530242262 649968525 /nfs/dbraw/zinc/96/85/25/649968525.db2.gz MGKFVLQTKUKXBM-UHFFFAOYSA-N 1 1 383.290 1.298 20 10 GDCDMO Cc1cc(Br)cc(C[N@H+]2CCC[C@H](N3CCNCC3=O)C2)c1O ZINC000843063972 655387785 /nfs/dbraw/zinc/38/77/85/655387785.db2.gz CYJVTLYXTKQPQI-HNNXBMFYSA-N 1 1 382.302 1.859 20 10 GDCDMO C[C@H]([NH2+][C@H]1CCN(S(C)(=O)=O)C1)c1cc(Br)c(F)cc1O ZINC000846191327 655449577 /nfs/dbraw/zinc/44/95/77/655449577.db2.gz YAIWOMWEWPRTFT-IUCAKERBSA-N 1 1 381.267 1.978 20 10 GDCDMO C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@H](n4cc(C(=O)[O-])nn4)C3)cc2F)CC1 ZINC001598622459 994025086 /nfs/dbraw/zinc/02/50/86/994025086.db2.gz KJWPZUMINGMRPQ-HNNXBMFYSA-N 1 1 388.447 1.314 20 10 GDCDMO C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H](n4cc(C(=O)[O-])nn4)C3)cc2F)CC1 ZINC001598622459 994025097 /nfs/dbraw/zinc/02/50/97/994025097.db2.gz KJWPZUMINGMRPQ-HNNXBMFYSA-N 1 1 388.447 1.314 20 10 GDCDMO Cc1cc(C(=O)NC[C@@H]2CC[N@H+](C)C2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737235598 598685358 /nfs/dbraw/zinc/68/53/58/598685358.db2.gz VRNHMVZGTDWYKI-HNNXBMFYSA-N 1 1 379.468 1.956 20 10 GDCDMO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1Cc1cc2c(cc1O)CCC2 ZINC000820804806 606769469 /nfs/dbraw/zinc/76/94/69/606769469.db2.gz ZTFHHDZGYWZMCN-CYBMUJFWSA-N 1 1 392.467 1.562 20 10 GDCDMO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@H+]1Cc1cc2c(cc1O)CCC2 ZINC000820804806 606769470 /nfs/dbraw/zinc/76/94/70/606769470.db2.gz ZTFHHDZGYWZMCN-CYBMUJFWSA-N 1 1 392.467 1.562 20 10 GDCDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(Cc2ccc(Br)cc2O)CC1 ZINC000824906104 655482198 /nfs/dbraw/zinc/48/21/98/655482198.db2.gz LKGKTDXMEHATCL-HNNXBMFYSA-N 1 1 382.302 1.893 20 10 GDCDMO CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000931877320 657135840 /nfs/dbraw/zinc/13/58/40/657135840.db2.gz FZIIONSKNQUTGM-ZDUSSCGKSA-N 1 1 384.274 1.324 20 10 GDCDMO CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000931877320 657135847 /nfs/dbraw/zinc/13/58/47/657135847.db2.gz FZIIONSKNQUTGM-ZDUSSCGKSA-N 1 1 384.274 1.324 20 10 GDCDMO CC[C@@H]([NH2+]Cc1nnc2n1CCNC2=O)c1cc(Br)ccc1O ZINC000883303832 657280699 /nfs/dbraw/zinc/28/06/99/657280699.db2.gz HNXBAWFTGWNHRE-LLVKDONJSA-N 1 1 380.246 1.731 20 10 GDCDMO O=C(N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)[C@@H]1CSCC(=O)N1 ZINC000934941049 657386727 /nfs/dbraw/zinc/38/67/27/657386727.db2.gz WAVUKTQOPVGKGM-KBPBESRZSA-N 1 1 383.901 1.358 20 10 GDCDMO CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)NC[C@H]1CC[N@@H+]1CC ZINC000910699558 659979911 /nfs/dbraw/zinc/97/99/11/659979911.db2.gz LSAKDNGCFXEVNN-CQSZACIVSA-N 1 1 398.301 1.714 20 10 GDCDMO CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)NC[C@H]1CC[N@H+]1CC ZINC000910699558 659979912 /nfs/dbraw/zinc/97/99/12/659979912.db2.gz LSAKDNGCFXEVNN-CQSZACIVSA-N 1 1 398.301 1.714 20 10 GDCDMO