smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(O)c(C[NH+]2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)c1 ZINC000826210022 947613943 /nfs/dbraw/zinc/61/39/43/947613943.db2.gz AVXBGOGSIJDLJT-UHFFFAOYSA-N 1 2 397.439 1.769 20 10 GDCDLO CS(=O)(=O)CCCC(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000158076668 531207780 /nfs/dbraw/zinc/20/77/80/531207780.db2.gz NORCNPGBEKWQCU-OAHLLOKOSA-N 1 2 388.917 1.951 20 10 GDCDLO CS(=O)(=O)CCCC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000158076668 531207781 /nfs/dbraw/zinc/20/77/81/531207781.db2.gz NORCNPGBEKWQCU-OAHLLOKOSA-N 1 2 388.917 1.951 20 10 GDCDLO CC[N@H+](Cc1nc(CC(=O)NC)no1)Cc1cc(Br)ccc1O ZINC000749796421 654841124 /nfs/dbraw/zinc/84/11/24/654841124.db2.gz KRUNSPFXJYRTOI-UHFFFAOYSA-N 1 2 383.246 1.848 20 10 GDCDLO CC[N@@H+](Cc1nc(CC(=O)NC)no1)Cc1cc(Br)ccc1O ZINC000749796421 654841126 /nfs/dbraw/zinc/84/11/26/654841126.db2.gz KRUNSPFXJYRTOI-UHFFFAOYSA-N 1 2 383.246 1.848 20 10 GDCDLO COCCNC(=O)CN1CC[NH+](Cc2c(O)cccc2Br)CC1 ZINC000862214280 655842110 /nfs/dbraw/zinc/84/21/10/655842110.db2.gz MIUYXDFNSIOXHJ-UHFFFAOYSA-N 1 2 386.290 1.035 20 10 GDCDLO COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1cc(Br)cc(F)c1O ZINC000883193737 657277085 /nfs/dbraw/zinc/27/70/85/657277085.db2.gz DBANHDGYISMKPN-YUMQZZPRSA-N 1 2 377.210 1.450 20 10 GDCDLO C[N@@H+](Cc1cc(Br)cc(F)c1O)C[C@@H](O)CN1CCOCC1 ZINC000894043736 658498984 /nfs/dbraw/zinc/49/89/84/658498984.db2.gz RSJMLYCDPZARBG-CYBMUJFWSA-N 1 2 377.254 1.419 20 10 GDCDLO C[N@H+](Cc1cc(Br)cc(F)c1O)C[C@@H](O)CN1CCOCC1 ZINC000894043736 658499001 /nfs/dbraw/zinc/49/90/01/658499001.db2.gz RSJMLYCDPZARBG-CYBMUJFWSA-N 1 2 377.254 1.419 20 10 GDCDLO COC(=O)CN(CC[NH+]1CCOCC1)Cc1cc(Br)ccc1O ZINC000179586677 530745274 /nfs/dbraw/zinc/74/52/74/530745274.db2.gz WODKFBSZCROPSK-UHFFFAOYSA-N 1 2 387.274 1.462 20 10 GDCDLO C[C@@H](CS(C)(=O)=O)C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134267173 531098449 /nfs/dbraw/zinc/09/84/49/531098449.db2.gz XVPDZCISNWNEGL-WFASDCNBSA-N 1 2 388.917 1.807 20 10 GDCDLO C[C@@H](CS(C)(=O)=O)C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134267173 531098451 /nfs/dbraw/zinc/09/84/51/531098451.db2.gz XVPDZCISNWNEGL-WFASDCNBSA-N 1 2 388.917 1.807 20 10 GDCDLO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000824999580 608834137 /nfs/dbraw/zinc/83/41/37/608834137.db2.gz IBABHCDZCMNAIV-ZDUSSCGKSA-N 1 2 397.462 1.573 20 10 GDCDLO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000824999580 608834140 /nfs/dbraw/zinc/83/41/40/608834140.db2.gz IBABHCDZCMNAIV-ZDUSSCGKSA-N 1 2 397.462 1.573 20 10 GDCDLO CNS(=O)(=O)[C@@H]1CCC[N@H+](Cc2cc(C)cc(Br)c2O)C1 ZINC000781907758 654820211 /nfs/dbraw/zinc/82/02/11/654820211.db2.gz FFPFWEOZRYZVKO-GFCCVEGCSA-N 1 2 377.304 1.977 20 10 GDCDLO CNS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2cc(C)cc(Br)c2O)C1 ZINC000781907758 654820212 /nfs/dbraw/zinc/82/02/12/654820212.db2.gz FFPFWEOZRYZVKO-GFCCVEGCSA-N 1 2 377.304 1.977 20 10 GDCDLO C[C@H]([NH2+]CC1(O)CCS(=O)(=O)CC1)c1cc(Br)cc(F)c1O ZINC000756613125 655024325 /nfs/dbraw/zinc/02/43/25/655024325.db2.gz ZRGVUJPGDCFDFG-VIFPVBQESA-N 1 2 396.278 1.884 20 10 GDCDLO CN(C)S(=O)(=O)n1ccnc1C[NH2+]Cc1cc(Br)ccc1O ZINC000811506419 655199023 /nfs/dbraw/zinc/19/90/23/655199023.db2.gz SUIMDAGQPDGZIU-UHFFFAOYSA-N 1 2 389.275 1.296 20 10 GDCDLO C[C@H]([NH2+]C1CN(S(=O)(=O)N(C)C)C1)c1cc(Br)cc(F)c1O ZINC000858570431 655749427 /nfs/dbraw/zinc/74/94/27/655749427.db2.gz YVWMPPJVVMIYNT-QMMMGPOBSA-N 1 2 396.282 1.435 20 10 GDCDLO CS(=O)(=O)N1CC[C@@H](C[NH2+]Cc2cc(Br)cc(F)c2O)C1 ZINC000883075009 657267405 /nfs/dbraw/zinc/26/74/05/657267405.db2.gz OQYWNQLMGBBNHA-VIFPVBQESA-N 1 2 381.267 1.665 20 10 GDCDLO C[C@H]([NH2+]CCS(=O)(=O)NC[C@H]1CCCCO1)c1ccc(F)c(F)c1O ZINC000187780176 530878394 /nfs/dbraw/zinc/87/83/94/530878394.db2.gz UYTNMCZPMAGKDB-NWDGAFQWSA-N 1 2 378.441 1.810 20 10 GDCDLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1cc(C)cc(Br)c1O ZINC000781909991 654820121 /nfs/dbraw/zinc/82/01/21/654820121.db2.gz SJLLTBRVQIBRED-GFCCVEGCSA-N 1 2 377.304 1.977 20 10 GDCDLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1Cc1cc(C)cc(Br)c1O ZINC000781909991 654820122 /nfs/dbraw/zinc/82/01/22/654820122.db2.gz SJLLTBRVQIBRED-GFCCVEGCSA-N 1 2 377.304 1.977 20 10 GDCDLO CNS(=O)(=O)[C@H]1CCC[N@H+](Cc2cc(C)cc(Br)c2O)C1 ZINC000781907762 654820164 /nfs/dbraw/zinc/82/01/64/654820164.db2.gz FFPFWEOZRYZVKO-LBPRGKRZSA-N 1 2 377.304 1.977 20 10 GDCDLO CNS(=O)(=O)[C@H]1CCC[N@@H+](Cc2cc(C)cc(Br)c2O)C1 ZINC000781907762 654820166 /nfs/dbraw/zinc/82/01/66/654820166.db2.gz FFPFWEOZRYZVKO-LBPRGKRZSA-N 1 2 377.304 1.977 20 10 GDCDLO COC(=O)C[N@@H+](Cc1cc(Cl)ccc1O)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000801523320 654926815 /nfs/dbraw/zinc/92/68/15/654926815.db2.gz OPBRQEHLUVOCAU-GFCCVEGCSA-N 1 2 390.889 1.302 20 10 GDCDLO COC(=O)C[N@H+](Cc1cc(Cl)ccc1O)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000801523320 654926819 /nfs/dbraw/zinc/92/68/19/654926819.db2.gz OPBRQEHLUVOCAU-GFCCVEGCSA-N 1 2 390.889 1.302 20 10 GDCDLO C[C@@H]([NH2+]Cc1nnc2c(=O)n(C)ccn12)c1cc(Br)cc(F)c1O ZINC000883335254 657282460 /nfs/dbraw/zinc/28/24/60/657282460.db2.gz OXMXZTNIHPXUMM-MRVPVSSYSA-N 1 2 396.220 1.886 20 10 GDCDLO O=S(=O)(CC[NH2+]Cc1cc(Br)cc(F)c1O)C1CCOCC1 ZINC000894903303 658633437 /nfs/dbraw/zinc/63/34/37/658633437.db2.gz QQNLAMFQCXJAAB-UHFFFAOYSA-N 1 2 396.278 1.977 20 10 GDCDLO O=S1(=O)C[C@H](N2CCOCC2)[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2O)C1 ZINC000265259914 531238546 /nfs/dbraw/zinc/23/85/46/531238546.db2.gz QMNHFDICCXQDAB-KGLIPLIRSA-N 1 2 395.308 1.286 20 10 GDCDLO COC[C@H](C)OC[C@@H](O)C[N@H+](CC(=O)OC)Cc1cc(Cl)ccc1O ZINC000278211810 531343184 /nfs/dbraw/zinc/34/31/84/531343184.db2.gz DEWHGJOGXURPLH-WFASDCNBSA-N 1 2 375.849 1.433 20 10 GDCDLO COC[C@H](C)OC[C@@H](O)C[N@@H+](CC(=O)OC)Cc1cc(Cl)ccc1O ZINC000278211810 531343191 /nfs/dbraw/zinc/34/31/91/531343191.db2.gz DEWHGJOGXURPLH-WFASDCNBSA-N 1 2 375.849 1.433 20 10 GDCDLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CSc2nccs2)CC1 ZINC000056368188 644481858 /nfs/dbraw/zinc/48/18/58/644481858.db2.gz SWAPITXENMPLSX-UHFFFAOYSA-N 1 2 375.483 1.261 20 10 GDCDLO O=S1(=O)CC[C@@]2(C1)C[C@H]([NH2+]Cc1cccc(Br)c1O)CCO2 ZINC000776498323 654691423 /nfs/dbraw/zinc/69/14/23/654691423.db2.gz JSARFHGJSJDESG-DOMZBBRYSA-N 1 2 390.299 1.981 20 10 GDCDLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NCc1cc(Br)ccc1O ZINC000805186324 655030933 /nfs/dbraw/zinc/03/09/33/655030933.db2.gz GERDICHPJZTGBN-GFCCVEGCSA-N 1 2 385.306 1.590 20 10 GDCDLO O=C(NCCCSc1nccs1)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000806281820 655062812 /nfs/dbraw/zinc/06/28/12/655062812.db2.gz LKUVFRUTFTXZKM-ZDUSSCGKSA-N 1 2 379.511 1.802 20 10 GDCDLO O=C(CN1CC[NH+](Cc2c(O)cccc2Br)CC1)N1CCCC1 ZINC000862213692 655842120 /nfs/dbraw/zinc/84/21/20/655842120.db2.gz VEKIUTUDQPXFML-UHFFFAOYSA-N 1 2 382.302 1.895 20 10 GDCDLO C[C@@H]1C[N@H+](Cc2cc(Br)cc(F)c2O)C[C@H]1CS(N)(=O)=O ZINC000897607601 658872803 /nfs/dbraw/zinc/87/28/03/658872803.db2.gz NHSNVFBAKDBELK-SCZZXKLOSA-N 1 2 381.267 1.650 20 10 GDCDLO C[C@@H]1C[N@@H+](Cc2cc(Br)cc(F)c2O)C[C@H]1CS(N)(=O)=O ZINC000897607601 658872806 /nfs/dbraw/zinc/87/28/06/658872806.db2.gz NHSNVFBAKDBELK-SCZZXKLOSA-N 1 2 381.267 1.650 20 10 GDCDLO O=C1/C(=C/c2cccc3c2OCO3)SC(=S)N1CC[NH+]1CCOCC1 ZINC000055181630 530705463 /nfs/dbraw/zinc/70/54/63/530705463.db2.gz XUSNHPNJWSQUJN-UVTDQMKNSA-N 1 2 378.475 1.949 20 10 GDCDLO COc1cc(Cl)cc(C[NH+]2CCC(N3CCS(=O)(=O)CC3)CC2)c1O ZINC000191940470 530957610 /nfs/dbraw/zinc/95/76/10/530957610.db2.gz ITXZEUWEZVDAPE-UHFFFAOYSA-N 1 2 388.917 1.749 20 10 GDCDLO COCC[N@H+](Cc1cc(Br)ccc1O)[C@H]1CCS(=O)(=O)C1 ZINC000290537969 531240475 /nfs/dbraw/zinc/24/04/75/531240475.db2.gz RBASZDBEZWYIQM-ZDUSSCGKSA-N 1 2 378.288 1.790 20 10 GDCDLO COCC[N@@H+](Cc1cc(Br)ccc1O)[C@H]1CCS(=O)(=O)C1 ZINC000290537969 531240479 /nfs/dbraw/zinc/24/04/79/531240479.db2.gz RBASZDBEZWYIQM-ZDUSSCGKSA-N 1 2 378.288 1.790 20 10 GDCDLO C[C@H](C(=O)NC1CC1)N1CC[NH+](Cc2cc(Br)ccc2O)CC1 ZINC000123288817 644695299 /nfs/dbraw/zinc/69/52/99/644695299.db2.gz JQZMVTYPNCWUEF-GFCCVEGCSA-N 1 2 382.302 1.939 20 10 GDCDLO COc1cc(C)[nH+]c(/C=C2\SC(=S)N(CCN3CCOCC3)C2=O)c1 ZINC000776727273 654706455 /nfs/dbraw/zinc/70/64/55/654706455.db2.gz UMESYEAMJMPANA-PTNGSMBKSA-N 1 2 379.507 1.932 20 10 GDCDLO C[C@@H]([NH2+]CCS(=O)(=O)NC[C@H]1CCCCO1)c1cc(F)cc(F)c1O ZINC000756706415 655025930 /nfs/dbraw/zinc/02/59/30/655025930.db2.gz QLHYPNDRTHTWBR-DGCLKSJQSA-N 1 2 378.441 1.810 20 10 GDCDLO C[C@@H]([NH2+]CC[C@@H]1CNCCS1(=O)=O)c1cc(Br)c(F)cc1O ZINC000925789764 656719737 /nfs/dbraw/zinc/71/97/37/656719737.db2.gz XNBRWQYRPJZISN-NXEZZACHSA-N 1 2 395.294 1.721 20 10 GDCDLO C[N@@H+]1CCc2nc(NC(=O)c3cc(NS(C)(=O)=O)ccc3O)sc2C1 ZINC000055127231 530704656 /nfs/dbraw/zinc/70/46/56/530704656.db2.gz DTACCBHXTPAMSS-UHFFFAOYSA-N 1 2 382.467 1.460 20 10 GDCDLO C[N@H+]1CCc2nc(NC(=O)c3cc(NS(C)(=O)=O)ccc3O)sc2C1 ZINC000055127231 530704659 /nfs/dbraw/zinc/70/46/59/530704659.db2.gz DTACCBHXTPAMSS-UHFFFAOYSA-N 1 2 382.467 1.460 20 10 GDCDLO Cc1cc(Br)cc(CN2CC[NH+](CC[S@](C)=O)CC2)c1O ZINC000775716854 654673308 /nfs/dbraw/zinc/67/33/08/654673308.db2.gz IGIFXLHGNWLQJW-NRFANRHFSA-N 1 2 375.332 1.959 20 10 GDCDLO Cc1cc(Br)c(O)c(C[N@@H+]2CCCN(S(C)(=O)=O)CC2)c1 ZINC000781895694 654819902 /nfs/dbraw/zinc/81/99/02/654819902.db2.gz WKNMGAWHPBUEHD-UHFFFAOYSA-N 1 2 377.304 1.930 20 10 GDCDLO Cc1cc(Br)c(O)c(C[N@H+]2CCCN(S(C)(=O)=O)CC2)c1 ZINC000781895694 654819904 /nfs/dbraw/zinc/81/99/04/654819904.db2.gz WKNMGAWHPBUEHD-UHFFFAOYSA-N 1 2 377.304 1.930 20 10 GDCDLO CN(C)S(=O)(=O)N1CCC[N@H+](Cc2cccc(Br)c2O)CC1 ZINC000811516707 655199036 /nfs/dbraw/zinc/19/90/36/655199036.db2.gz UFBBLQXYYKZEKR-UHFFFAOYSA-N 1 2 392.319 1.469 20 10 GDCDLO CN(C)S(=O)(=O)N1CCC[N@@H+](Cc2cccc(Br)c2O)CC1 ZINC000811516707 655199037 /nfs/dbraw/zinc/19/90/37/655199037.db2.gz UFBBLQXYYKZEKR-UHFFFAOYSA-N 1 2 392.319 1.469 20 10 GDCDLO Cn1ccnc(N2CC[NH+](Cc3ccc(Br)cc3O)CC2)c1=O ZINC000824851302 655481411 /nfs/dbraw/zinc/48/14/11/655481411.db2.gz ZICGZKHPIOJDSD-UHFFFAOYSA-N 1 2 379.258 1.571 20 10 GDCDLO O=C(CN1CC[NH+](Cc2c(O)cccc2Br)CC1)N1CCOCC1 ZINC000862213553 655842130 /nfs/dbraw/zinc/84/21/30/655842130.db2.gz RLGQIWJIJGBMJM-UHFFFAOYSA-N 1 2 398.301 1.131 20 10 GDCDLO O=C(NCc1cc(Br)ccc1O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000935960335 657531285 /nfs/dbraw/zinc/53/12/85/657531285.db2.gz ZERHEBBLQQZPGS-ZBFHGGJFSA-N 1 2 399.285 1.651 20 10 GDCDLO O=S(=O)([C@@H]1CCC[N@@H+](Cc2cc(F)cc(F)c2O)C1)N1CCOCC1 ZINC000894426901 658555891 /nfs/dbraw/zinc/55/58/91/658555891.db2.gz GPFUFAIFQAAVCH-CQSZACIVSA-N 1 2 376.425 1.297 20 10 GDCDLO O=S(=O)([C@@H]1CCC[N@H+](Cc2cc(F)cc(F)c2O)C1)N1CCOCC1 ZINC000894426901 658555895 /nfs/dbraw/zinc/55/58/95/658555895.db2.gz GPFUFAIFQAAVCH-CQSZACIVSA-N 1 2 376.425 1.297 20 10 GDCDLO C[N@H+](Cc1cc(Br)cc(F)c1O)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000894839237 658624294 /nfs/dbraw/zinc/62/42/94/658624294.db2.gz RFSJEMZFIOEXRQ-LLVKDONJSA-N 1 2 381.267 1.760 20 10 GDCDLO C[N@@H+](Cc1cc(Br)cc(F)c1O)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000894839237 658624300 /nfs/dbraw/zinc/62/43/00/658624300.db2.gz RFSJEMZFIOEXRQ-LLVKDONJSA-N 1 2 381.267 1.760 20 10 GDCDLO CC[NH+]1CCN(c2ccc(CNc3nccnc3-c3nn[nH]n3)cc2F)CC1 ZINC000736570133 598389757 /nfs/dbraw/zinc/38/97/57/598389757.db2.gz WGDUSBXHYZXCHF-UHFFFAOYSA-N 1 2 383.435 1.550 20 10 GDCDLO COc1ccc(N2CC[NH+](CCC[NH2+]C[C@@H]3CCCN3C(=O)[O-])CC2)cc1 ZINC000739908136 602047295 /nfs/dbraw/zinc/04/72/95/602047295.db2.gz HBOOIPISTURTJK-SFHVURJKSA-N 1 2 376.501 1.939 20 10 GDCDLO C[C@H]([NH2+]CC[C@H]1CNCCS1(=O)=O)c1cc(Br)c(F)cc1O ZINC000925789765 656719676 /nfs/dbraw/zinc/71/96/76/656719676.db2.gz XNBRWQYRPJZISN-UWVGGRQHSA-N 1 2 395.294 1.721 20 10 GDCDLO C[C@H]([NH2+]C[C@H](O)CS(C)(=O)=O)c1cc(Br)cc(Cl)c1O ZINC000927027686 656787717 /nfs/dbraw/zinc/78/77/17/656787717.db2.gz VCMRCZLKAZBNMX-CBAPKCEASA-N 1 2 386.695 1.864 20 10 GDCDLO O=S(=O)([C@H]1CCC[N@@H+](Cc2cc(F)cc(F)c2O)C1)N1CCOCC1 ZINC000894426900 658556019 /nfs/dbraw/zinc/55/60/19/658556019.db2.gz GPFUFAIFQAAVCH-AWEZNQCLSA-N 1 2 376.425 1.297 20 10 GDCDLO O=S(=O)([C@H]1CCC[N@H+](Cc2cc(F)cc(F)c2O)C1)N1CCOCC1 ZINC000894426900 658556022 /nfs/dbraw/zinc/55/60/22/658556022.db2.gz GPFUFAIFQAAVCH-AWEZNQCLSA-N 1 2 376.425 1.297 20 10 GDCDLO COc1ccc(O)c(C[N@H+](CC(F)F)C2CCN(S(C)(=O)=O)CC2)c1 ZINC000283050102 531824519 /nfs/dbraw/zinc/82/45/19/531824519.db2.gz OSKAVYBUSHIDRW-UHFFFAOYSA-N 1 2 378.441 1.892 20 10 GDCDLO COc1ccc(O)c(C[N@@H+](CC(F)F)C2CCN(S(C)(=O)=O)CC2)c1 ZINC000283050102 531824526 /nfs/dbraw/zinc/82/45/26/531824526.db2.gz OSKAVYBUSHIDRW-UHFFFAOYSA-N 1 2 378.441 1.892 20 10 GDCDLO Cc1cc(C(=O)NC[C@@H]2C[N@H+](C)CCO2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737235363 598612000 /nfs/dbraw/zinc/61/20/00/598612000.db2.gz TXTUNLRADVTMBA-QGZVFWFLSA-N 1 2 395.467 1.335 20 10 GDCDLO Cc1cc(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737235363 598612001 /nfs/dbraw/zinc/61/20/01/598612001.db2.gz TXTUNLRADVTMBA-QGZVFWFLSA-N 1 2 395.467 1.335 20 10 GDCDLO CC(=O)c1cc(F)cc(C[NH+]2CCN(c3cc(-c4nn[nH]n4)ccn3)CC2)c1O ZINC000819834155 606184708 /nfs/dbraw/zinc/18/47/08/606184708.db2.gz MTVHGLMXJZDOAJ-UHFFFAOYSA-N 1 2 397.414 1.631 20 10 GDCDLO COc1cc(C)[nH+]c(/C=C2/SC(=S)N(CCN3CCOCC3)C2=O)c1 ZINC000776727274 654706473 /nfs/dbraw/zinc/70/64/73/654706473.db2.gz UMESYEAMJMPANA-RVDMUPIBSA-N 1 2 379.507 1.932 20 10 GDCDLO CN1C(=O)N[C@@]2(CCC[C@@H]2C[NH2+]Cc2cccc(Br)c2O)C1=O ZINC000748099585 654799734 /nfs/dbraw/zinc/79/97/34/654799734.db2.gz XZRFSIVVHVNORL-BDJLRTHQSA-N 1 2 382.258 1.965 20 10 GDCDLO O=S(=O)(CCC[NH+]1CCOCC1)NCc1cc(Br)ccc1O ZINC000796190910 655206484 /nfs/dbraw/zinc/20/64/84/655206484.db2.gz MVLYQDFKDRAFMK-UHFFFAOYSA-N 1 2 393.303 1.296 20 10 GDCDLO CN1CC[NH+](C(C)(C)CNC(=O)NCc2cccc(Br)c2O)CC1 ZINC000765448506 655240584 /nfs/dbraw/zinc/24/05/84/655240584.db2.gz RZVRLHFARQZXLY-UHFFFAOYSA-N 1 2 399.333 1.980 20 10 GDCDLO Oc1c(Br)cccc1C[NH2+][C@@H]1CCN(c2ccc3nncn3n2)C1 ZINC000858243725 655746319 /nfs/dbraw/zinc/74/63/19/655746319.db2.gz NRGCNGCERWMXEP-GFCCVEGCSA-N 1 2 389.257 1.961 20 10 GDCDLO COc1cccc(C[N@H+](CC(F)F)C2CCN(S(C)(=O)=O)CC2)c1O ZINC000282982810 531817327 /nfs/dbraw/zinc/81/73/27/531817327.db2.gz JLHGFNBUBINQJZ-UHFFFAOYSA-N 1 2 378.441 1.892 20 10 GDCDLO COc1cccc(C[N@@H+](CC(F)F)C2CCN(S(C)(=O)=O)CC2)c1O ZINC000282982810 531817333 /nfs/dbraw/zinc/81/73/33/531817333.db2.gz JLHGFNBUBINQJZ-UHFFFAOYSA-N 1 2 378.441 1.892 20 10 GDCDLO CNC(=O)C[NH+]1CCC(NC(=O)NCc2cc(Cl)cc(Cl)c2O)CC1 ZINC000804909781 655002832 /nfs/dbraw/zinc/00/28/32/655002832.db2.gz UYJXVHPABDYDTK-UHFFFAOYSA-N 1 2 389.283 1.709 20 10 GDCDLO COC(=O)CNC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(C)cc(Br)c1O ZINC000841892321 655354596 /nfs/dbraw/zinc/35/45/96/655354596.db2.gz GNZUXQZIIQWWSA-ZDUSSCGKSA-N 1 2 385.258 1.717 20 10 GDCDLO COC(=O)CNC(=O)[C@@H]1CCC[N@H+]1Cc1cc(C)cc(Br)c1O ZINC000841892321 655354598 /nfs/dbraw/zinc/35/45/98/655354598.db2.gz GNZUXQZIIQWWSA-ZDUSSCGKSA-N 1 2 385.258 1.717 20 10 GDCDLO C[NH+]1CCN(C(=O)C[NH2+]Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC000882935076 657258904 /nfs/dbraw/zinc/25/89/04/657258904.db2.gz DGLXIEMSNMNLRT-UHFFFAOYSA-N 1 2 376.682 1.672 20 10 GDCDLO CC(C)NS(=O)(=O)NCC[NH2+]Cc1cc(Br)cc(F)c1O ZINC000883103600 657271282 /nfs/dbraw/zinc/27/12/82/657271282.db2.gz YWCZQTRWJIKSPT-UHFFFAOYSA-N 1 2 384.271 1.216 20 10 GDCDLO C[C@H]([NH2+]Cc1nnc2c(=O)n(C)ccn12)c1cc(Br)c(F)cc1O ZINC000883335313 657282260 /nfs/dbraw/zinc/28/22/60/657282260.db2.gz QACHWEBVAQZXTQ-QMMMGPOBSA-N 1 2 396.220 1.886 20 10 GDCDLO O=C(NCc1cccc(Br)c1O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000935662202 657463922 /nfs/dbraw/zinc/46/39/22/657463922.db2.gz ALCRDKBGYJQXBC-HIFRSBDPSA-N 1 2 399.285 1.651 20 10 GDCDLO C[N@H+](Cc1cc(Br)cc(F)c1O)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000894839239 658624054 /nfs/dbraw/zinc/62/40/54/658624054.db2.gz RFSJEMZFIOEXRQ-NSHDSACASA-N 1 2 381.267 1.760 20 10 GDCDLO C[N@@H+](Cc1cc(Br)cc(F)c1O)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000894839239 658624062 /nfs/dbraw/zinc/62/40/62/658624062.db2.gz RFSJEMZFIOEXRQ-NSHDSACASA-N 1 2 381.267 1.760 20 10 GDCDLO C[C@H]([NH2+]C[C@]1(CO)COCCN1C)c1cc(Br)c(F)cc1O ZINC000903277288 659311849 /nfs/dbraw/zinc/31/18/49/659311849.db2.gz FRZHQJSOYWBVED-BONVTDFDSA-N 1 2 377.254 1.638 20 10 GDCDLO C[C@@H]([NH2+]C[C@]1(CO)COCCN1C)c1cc(Br)c(F)cc1O ZINC000903277287 659311890 /nfs/dbraw/zinc/31/18/90/659311890.db2.gz FRZHQJSOYWBVED-BMIGLBTASA-N 1 2 377.254 1.638 20 10 GDCDLO Cc1nc(S(=O)(=O)N2CC[NH+](Cc3c(O)cccc3Cl)CC2)cn1C ZINC000271205187 531979673 /nfs/dbraw/zinc/97/96/73/531979673.db2.gz ZDCTXKSAVSSVHF-UHFFFAOYSA-N 1 2 384.889 1.594 20 10 GDCDLO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1Cc1cc(Cl)ccc1O ZINC000825001084 608834567 /nfs/dbraw/zinc/83/45/67/608834567.db2.gz WWDVBEBESFPFTD-NSHDSACASA-N 1 2 386.847 1.726 20 10 GDCDLO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@H+]1Cc1cc(Cl)ccc1O ZINC000825001084 608834570 /nfs/dbraw/zinc/83/45/70/608834570.db2.gz WWDVBEBESFPFTD-NSHDSACASA-N 1 2 386.847 1.726 20 10 GDCDLO C[C@@H]([NH2+]C[C@@H](O)CS(C)(=O)=O)c1cc(Br)cc(Cl)c1O ZINC000927027688 656787634 /nfs/dbraw/zinc/78/76/34/656787634.db2.gz VCMRCZLKAZBNMX-VXNVDRBHSA-N 1 2 386.695 1.864 20 10 GDCDLO Cc1cc(Br)cc(C[NH+]2CCN(C(=O)C(=O)NC3CC3)CC2)c1O ZINC000179765350 530749400 /nfs/dbraw/zinc/74/94/00/530749400.db2.gz NRHPPKBBFNKFMH-UHFFFAOYSA-N 1 2 396.285 1.386 20 10 GDCDLO COC(=O)C[N@H+](Cc1cc(Cl)ccc1O)C[C@@H](O)COCC(F)(F)F ZINC000292965000 531391916 /nfs/dbraw/zinc/39/19/16/531391916.db2.gz PNCRYKCUEZWFSN-GFCCVEGCSA-N 1 2 385.766 1.960 20 10 GDCDLO Cc1cc(C(=O)NCCn2cc[nH+]c2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737236709 598611048 /nfs/dbraw/zinc/61/10/48/598611048.db2.gz QTQAHPIQUSYNJN-UHFFFAOYSA-N 1 2 376.424 1.901 20 10 GDCDLO Cn1ncc(/C=C2\SC(=S)N(CCC[NH+]3CCOCC3)C2=O)c1Cl ZINC000841496393 655329928 /nfs/dbraw/zinc/32/99/28/655329928.db2.gz NXROCMUZYPJRNA-XFXZXTDPSA-N 1 2 386.930 1.997 20 10 GDCDLO O=C(NCCCSc1nccs1)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000806280490 655062293 /nfs/dbraw/zinc/06/22/93/655062293.db2.gz FYUVAPDJXHIXIW-UHFFFAOYSA-N 1 2 379.511 1.871 20 10 GDCDLO O=C(NCCCSc1nccs1)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000806280490 655062295 /nfs/dbraw/zinc/06/22/95/655062295.db2.gz FYUVAPDJXHIXIW-UHFFFAOYSA-N 1 2 379.511 1.871 20 10 GDCDLO C[C@@H]([NH2+][C@H]1CCN(S(C)(=O)=O)C1)c1cc(Br)cc(F)c1O ZINC000846188220 655449543 /nfs/dbraw/zinc/44/95/43/655449543.db2.gz MKAIWYVLFYPFPY-SCZZXKLOSA-N 1 2 381.267 1.978 20 10 GDCDLO Cn1cc(I)c(C[NH2+]Cc2cc3c(cc2O)OCO3)n1 ZINC000825079530 655484005 /nfs/dbraw/zinc/48/40/05/655484005.db2.gz VUGVVQHFTNPUBT-UHFFFAOYSA-N 1 2 387.177 1.749 20 10 GDCDLO C[C@@H]([NH2+]CC[C@H]1CNCCS1(=O)=O)c1cc(Br)c(F)cc1O ZINC000925789767 656719772 /nfs/dbraw/zinc/71/97/72/656719772.db2.gz XNBRWQYRPJZISN-ZJUUUORDSA-N 1 2 395.294 1.721 20 10 GDCDLO O=S1(=O)CC[C@](O)(C[NH2+]Cc2cc(Cl)cc(Br)c2O)C1 ZINC000883132803 657274593 /nfs/dbraw/zinc/27/45/93/657274593.db2.gz DZLZFMZYILHDDA-LBPRGKRZSA-N 1 2 384.679 1.447 20 10 GDCDLO O=C1NC[C@H](O)CC12CC[NH+](Cc1cc(Br)cc(F)c1O)CC2 ZINC000897044554 658820071 /nfs/dbraw/zinc/82/00/71/658820071.db2.gz CDSYQANNIKLXEI-GFCCVEGCSA-N 1 2 387.249 1.757 20 10 GDCDLO CCOC(=O)N1C[C@H]([NH2+]Cc2cc(Br)cc(F)c2O)[C@@H](CO)C1 ZINC000898349049 658927635 /nfs/dbraw/zinc/92/76/35/658927635.db2.gz VSMKCPHROUUACH-MFKMUULPSA-N 1 2 391.237 1.833 20 10 GDCDLO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1Cc1cccc(Cl)c1O ZINC000824999366 947033798 /nfs/dbraw/zinc/03/37/98/947033798.db2.gz GAFUTMVOXGWRDP-NSHDSACASA-N 1 2 386.847 1.726 20 10 GDCDLO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@H+]1Cc1cccc(Cl)c1O ZINC000824999366 947033812 /nfs/dbraw/zinc/03/38/12/947033812.db2.gz GAFUTMVOXGWRDP-NSHDSACASA-N 1 2 386.847 1.726 20 10 GDCDLO COC(=O)c1c(C[NH2+]C2CC[NH+](CC(=O)[O-])CC2)c2cc(F)ccc2n1C ZINC001574082269 962299092 /nfs/dbraw/zinc/29/90/92/962299092.db2.gz XSUXGGZZKMJPBU-UHFFFAOYSA-N 1 2 377.416 1.743 20 10 GDCDLO COc1cccc(O)c1C[NH+]1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000826217555 608590531 /nfs/dbraw/zinc/59/05/31/608590531.db2.gz RUZAGGDSFLAVGX-UHFFFAOYSA-N 1 2 397.439 1.769 20 10 GDCDLO Cn1ccnc(N2CC[NH+](Cc3cc(Br)ccc3O)CC2)c1=O ZINC000769466894 654465801 /nfs/dbraw/zinc/46/58/01/654465801.db2.gz OHJOYPVHCGEQJG-UHFFFAOYSA-N 1 2 379.258 1.571 20 10 GDCDLO CS(=O)(=O)NC[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(Br)c1O ZINC000800309580 654882350 /nfs/dbraw/zinc/88/23/50/654882350.db2.gz PFNCYUFBYQPCKJ-MFKMUULPSA-N 1 2 377.304 1.962 20 10 GDCDLO CN(C)S(=O)(=O)N1CC[NH+](Cc2c(O)cccc2Br)CC1 ZINC000862217118 655842375 /nfs/dbraw/zinc/84/23/75/655842375.db2.gz WVBSZOPGZPLKOW-UHFFFAOYSA-N 1 2 378.292 1.079 20 10 GDCDLO C[NH+]1CCN(CCCS(=O)(=O)NCc2cc(Cl)cc(Cl)c2O)CC1 ZINC000867271612 656028208 /nfs/dbraw/zinc/02/82/08/656028208.db2.gz ZZMJDNUVSXAUFP-UHFFFAOYSA-N 1 2 396.340 1.756 20 10 GDCDLO C[NH+](C)Cc1csc(CNC(=O)C(=O)NCCCSc2nccs2)n1 ZINC000930197933 657006822 /nfs/dbraw/zinc/00/68/22/657006822.db2.gz MDMGZTQDYSQWKY-UHFFFAOYSA-N 1 2 399.567 1.576 20 10 GDCDLO C[C@@H](CNC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O)[NH+](C)C ZINC000267492075 531428968 /nfs/dbraw/zinc/42/89/68/531428968.db2.gz GGVJYLZRESSOOC-NSHDSACASA-N 1 2 383.495 1.934 20 10 GDCDLO CN1CCN(c2cc(NCc3cc(Br)ccc3O)[nH+]cn2)CC1=O ZINC000804826960 655001649 /nfs/dbraw/zinc/00/16/49/655001649.db2.gz IXAGFWOMIFIIFU-UHFFFAOYSA-N 1 2 392.257 1.835 20 10 GDCDLO CN1CCN(c2cc(NCc3cc(Br)ccc3O)nc[nH+]2)CC1=O ZINC000804826960 655001653 /nfs/dbraw/zinc/00/16/53/655001653.db2.gz IXAGFWOMIFIIFU-UHFFFAOYSA-N 1 2 392.257 1.835 20 10 GDCDLO O=C(NCCCSc1nccs1)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000806277379 655061875 /nfs/dbraw/zinc/06/18/75/655061875.db2.gz ACTFVISFANUIDD-UHFFFAOYSA-N 1 2 379.511 1.802 20 10 GDCDLO O=C1OC[C@@]2(C[NH2+]Cc3cc(Br)cc(F)c3O)COCCN12 ZINC000883197487 657277937 /nfs/dbraw/zinc/27/79/37/657277937.db2.gz MZOBZGNVTRZZBP-CQSZACIVSA-N 1 2 375.194 1.605 20 10 GDCDLO Oc1ccc(F)cc1C[NH+]1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000826511188 948432539 /nfs/dbraw/zinc/43/25/39/948432539.db2.gz GDJVFCOESZWJIL-UHFFFAOYSA-N 1 2 385.403 1.899 20 10 GDCDLO C[C@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1cc(C(=O)[O-])ccc1O ZINC001593257230 994526797 /nfs/dbraw/zinc/52/67/97/994526797.db2.gz MOXBWYAYNOKSKJ-HNNXBMFYSA-N 1 2 398.463 1.875 20 10 GDCDLO OC[C@@H]1C[C@H](O)C[N@@H+]1Cc1cc(Br)cc(Br)c1O ZINC000187669579 530876605 /nfs/dbraw/zinc/87/66/05/530876605.db2.gz USUDOKJMDCGDIH-UWVGGRQHSA-N 1 2 381.064 1.845 20 10 GDCDLO OC[C@@H]1C[C@H](O)C[N@H+]1Cc1cc(Br)cc(Br)c1O ZINC000187669579 530876608 /nfs/dbraw/zinc/87/66/08/530876608.db2.gz USUDOKJMDCGDIH-UWVGGRQHSA-N 1 2 381.064 1.845 20 10 GDCDLO C[C@H](CS(C)(=O)=O)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134267151 531098461 /nfs/dbraw/zinc/09/84/61/531098461.db2.gz XVPDZCISNWNEGL-IUODEOHRSA-N 1 2 388.917 1.807 20 10 GDCDLO C[C@H](CS(C)(=O)=O)C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134267151 531098462 /nfs/dbraw/zinc/09/84/62/531098462.db2.gz XVPDZCISNWNEGL-IUODEOHRSA-N 1 2 388.917 1.807 20 10 GDCDLO C[C@@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)c1cc([N+](=O)[O-])ccc1O ZINC000273470700 532152330 /nfs/dbraw/zinc/15/23/30/532152330.db2.gz JODKELURRNEDNH-PWSUYJOCSA-N 1 2 386.451 1.847 20 10 GDCDLO Cc1cc(C(=O)N2CC[NH+](CCO)CC2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000822168802 606668716 /nfs/dbraw/zinc/66/87/16/606668716.db2.gz SQBLFSCSPZXAEU-UHFFFAOYSA-N 1 2 395.467 1.024 20 10 GDCDLO Cn1cc(N2CC[C@@H]([NH2+]Cc3cc(Br)cc(F)c3O)C2=O)cn1 ZINC000883010290 657263076 /nfs/dbraw/zinc/26/30/76/657263076.db2.gz KBGQPRFXIKVJPA-CYBMUJFWSA-N 1 2 383.221 1.922 20 10 GDCDLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCc2cccc(Cl)c2O)CC1 ZINC000892929801 658361006 /nfs/dbraw/zinc/36/10/06/658361006.db2.gz LIYBPOYQTBNSQP-UHFFFAOYSA-N 1 2 389.905 1.354 20 10 GDCDLO C[C@H]([NH2+]C[C@@]1(CO)COCCN1C)c1cc(Br)cc(F)c1O ZINC000903283897 659312585 /nfs/dbraw/zinc/31/25/85/659312585.db2.gz YBAPMCWIMKRJCW-ZUZCIYMTSA-N 1 2 377.254 1.638 20 10 GDCDLO O=S1(=O)CCN(C2CC[NH+](Cc3c(O)ccc(Cl)c3F)CC2)CC1 ZINC000191539235 530950528 /nfs/dbraw/zinc/95/05/28/530950528.db2.gz GDGATOKQAZWGMP-UHFFFAOYSA-N 1 2 376.881 1.880 20 10 GDCDLO C[C@@H](CS(C)(=O)=O)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134267128 531098439 /nfs/dbraw/zinc/09/84/39/531098439.db2.gz XVPDZCISNWNEGL-SWLSCSKDSA-N 1 2 388.917 1.807 20 10 GDCDLO C[C@@H](CS(C)(=O)=O)C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134267128 531098440 /nfs/dbraw/zinc/09/84/40/531098440.db2.gz XVPDZCISNWNEGL-SWLSCSKDSA-N 1 2 388.917 1.807 20 10 GDCDLO C[C@@H](CNC(=O)NCc1cccc(Br)c1O)CN1CC[NH+](C)CC1 ZINC000277379033 531276716 /nfs/dbraw/zinc/27/67/16/531276716.db2.gz ICBMIIAFCFVPTK-ZDUSSCGKSA-N 1 2 399.333 1.837 20 10 GDCDLO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000824999579 608834423 /nfs/dbraw/zinc/83/44/23/608834423.db2.gz IBABHCDZCMNAIV-CYBMUJFWSA-N 1 2 397.462 1.573 20 10 GDCDLO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000824999579 608834425 /nfs/dbraw/zinc/83/44/25/608834425.db2.gz IBABHCDZCMNAIV-CYBMUJFWSA-N 1 2 397.462 1.573 20 10 GDCDLO CO[C@@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000708135204 654834135 /nfs/dbraw/zinc/83/41/35/654834135.db2.gz XNCLDZYDFMYJJN-GHMZBOCLSA-N 1 2 384.679 1.710 20 10 GDCDLO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000708135209 654834149 /nfs/dbraw/zinc/83/41/49/654834149.db2.gz XNCLDZYDFMYJJN-WDEREUQCSA-N 1 2 384.679 1.710 20 10 GDCDLO CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)N1CC[NH+](CC)CC1 ZINC000839367900 655245088 /nfs/dbraw/zinc/24/50/88/655245088.db2.gz GDMSRDPTFOKBBB-UHFFFAOYSA-N 1 2 398.301 1.667 20 10 GDCDLO C[C@H](C(=O)NC1CC1)N1CC[NH+](Cc2c(O)cccc2Br)CC1 ZINC000862215278 655842384 /nfs/dbraw/zinc/84/23/84/655842384.db2.gz KHWKSVZABLVTPM-GFCCVEGCSA-N 1 2 382.302 1.939 20 10 GDCDLO Cn1cc(N2CC[C@H]([NH2+]Cc3cc(Br)cc(F)c3O)C2=O)cn1 ZINC000883010291 657262812 /nfs/dbraw/zinc/26/28/12/657262812.db2.gz KBGQPRFXIKVJPA-ZDUSSCGKSA-N 1 2 383.221 1.922 20 10 GDCDLO C[C@H]([NH2+]CCN(C)CCOCCO)c1cc(Br)cc(F)c1O ZINC000883351117 657283533 /nfs/dbraw/zinc/28/35/33/657283533.db2.gz XJEVIINIXWAJIQ-NSHDSACASA-N 1 2 379.270 1.885 20 10 GDCDLO CC(=O)c1cc(F)cc(C[N@H+](C)CCCc2[nH]nc(N)c2-c2nn[nH]n2)c1O ZINC000824010920 946544314 /nfs/dbraw/zinc/54/43/14/946544314.db2.gz UNCVILFLNVCYLC-UHFFFAOYSA-N 1 2 388.407 1.284 20 10 GDCDLO CC(=O)c1cc(F)cc(C[N@@H+](C)CCCc2[nH]nc(N)c2-c2nn[nH]n2)c1O ZINC000824010920 946544321 /nfs/dbraw/zinc/54/43/21/946544321.db2.gz UNCVILFLNVCYLC-UHFFFAOYSA-N 1 2 388.407 1.284 20 10 GDCDLO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000190832978 530938697 /nfs/dbraw/zinc/93/86/97/530938697.db2.gz DHOWUXYVQWSOHS-CQSZACIVSA-N 1 2 376.906 1.918 20 10 GDCDLO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000190832978 530938698 /nfs/dbraw/zinc/93/86/98/530938698.db2.gz DHOWUXYVQWSOHS-CQSZACIVSA-N 1 2 376.906 1.918 20 10 GDCDLO C[C@@H](C(=O)NC1CC1)N1CC[NH+](Cc2cc(Br)ccc2O)CC1 ZINC000123288608 644695258 /nfs/dbraw/zinc/69/52/58/644695258.db2.gz JQZMVTYPNCWUEF-LBPRGKRZSA-N 1 2 382.302 1.939 20 10 GDCDLO Cc1cc(Br)cn2c(C=C3C(=O)N(C)C(=O)N(C)C3=O)c[nH+]c12 ZINC000783697245 654866741 /nfs/dbraw/zinc/86/67/41/654866741.db2.gz NGUZYUKPFBKTJS-UHFFFAOYSA-N 1 2 377.198 1.839 20 10 GDCDLO O=C(NCCCSc1nccs1)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000806281819 655062883 /nfs/dbraw/zinc/06/28/83/655062883.db2.gz LKUVFRUTFTXZKM-CYBMUJFWSA-N 1 2 379.511 1.802 20 10 GDCDLO Cn1nc(Br)nc1C[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000894202040 658520375 /nfs/dbraw/zinc/52/03/75/658520375.db2.gz BZOJJXDQEHAELS-UHFFFAOYSA-N 1 2 398.280 1.968 20 10 GDCDLO Cc1cc(C(=O)NCCc2[nH]cc[nH+]2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000822177260 945972403 /nfs/dbraw/zinc/97/24/03/945972403.db2.gz WXNUCHAFXVPPDE-UHFFFAOYSA-N 1 2 376.424 1.970 20 10 GDCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCCN(S(=O)(=O)N(C)C)CC2)c1O ZINC000377729192 532270312 /nfs/dbraw/zinc/27/03/12/532270312.db2.gz XKBLMGWGNHYXDW-UHFFFAOYSA-N 1 2 389.905 1.562 20 10 GDCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCCN(S(=O)(=O)N(C)C)CC2)c1O ZINC000377729192 532270316 /nfs/dbraw/zinc/27/03/16/532270316.db2.gz XKBLMGWGNHYXDW-UHFFFAOYSA-N 1 2 389.905 1.562 20 10 GDCDLO CN1C(=O)N[C@]2(CCC[C@H]2C[NH2+]Cc2cccc(Br)c2O)C1=O ZINC000748099589 654799773 /nfs/dbraw/zinc/79/97/73/654799773.db2.gz XZRFSIVVHVNORL-ZBEGNZNMSA-N 1 2 382.258 1.965 20 10 GDCDLO COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000883193771 657277018 /nfs/dbraw/zinc/27/70/18/657277018.db2.gz FANVNFNGSRUMON-YUMQZZPRSA-N 1 2 393.665 1.964 20 10 GDCDLO OCC[N@H+](CCN1CCOCC1)Cc1cc(Br)cc(F)c1O ZINC000893966875 658482407 /nfs/dbraw/zinc/48/24/07/658482407.db2.gz GKZXPYCWONGISB-UHFFFAOYSA-N 1 2 377.254 1.420 20 10 GDCDLO OCC[N@@H+](CCN1CCOCC1)Cc1cc(Br)cc(F)c1O ZINC000893966875 658482408 /nfs/dbraw/zinc/48/24/08/658482408.db2.gz GKZXPYCWONGISB-UHFFFAOYSA-N 1 2 377.254 1.420 20 10 GDCDLO C[N@@H+](Cc1cc(Cl)cc(Br)c1O)C[C@@H](O)CN1CCOCC1 ZINC000894044717 658499864 /nfs/dbraw/zinc/49/98/64/658499864.db2.gz WSBAAICALMMGJJ-CYBMUJFWSA-N 1 2 393.709 1.933 20 10 GDCDLO C[N@H+](Cc1cc(Cl)cc(Br)c1O)C[C@@H](O)CN1CCOCC1 ZINC000894044717 658499867 /nfs/dbraw/zinc/49/98/67/658499867.db2.gz WSBAAICALMMGJJ-CYBMUJFWSA-N 1 2 393.709 1.933 20 10 GDCDLO OCCOCC1(O)CC[NH+](Cc2cc(Br)cc(F)c2O)CC1 ZINC000895828402 658732466 /nfs/dbraw/zinc/73/24/66/658732466.db2.gz IYDXCEAORKMEHX-UHFFFAOYSA-N 1 2 378.238 1.630 20 10 GDCDLO O=S1(=O)C[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2O)[C@H](N2CCOCC2)C1 ZINC000265259915 531238388 /nfs/dbraw/zinc/23/83/88/531238388.db2.gz QMNHFDICCXQDAB-UONOGXRCSA-N 1 2 395.308 1.286 20 10 GDCDLO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)NCc1cccc(Br)c1O ZINC000277361925 531275358 /nfs/dbraw/zinc/27/53/58/531275358.db2.gz GZJBFIRESHUOHY-CYBMUJFWSA-N 1 2 399.333 1.980 20 10 GDCDLO CN1C(=O)N[C@]2(CCC[C@@H]2C[NH2+]Cc2cccc(Br)c2O)C1=O ZINC000748099587 654799757 /nfs/dbraw/zinc/79/97/57/654799757.db2.gz XZRFSIVVHVNORL-BZNIZROVSA-N 1 2 382.258 1.965 20 10 GDCDLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1Cc1cc(C)cc(Br)c1O ZINC000781909992 654820042 /nfs/dbraw/zinc/82/00/42/654820042.db2.gz SJLLTBRVQIBRED-LBPRGKRZSA-N 1 2 377.304 1.977 20 10 GDCDLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1Cc1cc(C)cc(Br)c1O ZINC000781909992 654820047 /nfs/dbraw/zinc/82/00/47/654820047.db2.gz SJLLTBRVQIBRED-LBPRGKRZSA-N 1 2 377.304 1.977 20 10 GDCDLO O=S(=O)([C@@H]1CCC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1)N1CCOCC1 ZINC000792174244 655087654 /nfs/dbraw/zinc/08/76/54/655087654.db2.gz OXFDLENVQXMZII-GFCCVEGCSA-N 1 2 392.880 1.811 20 10 GDCDLO O=S(=O)([C@@H]1CCC[N@H+](Cc2c(O)ccc(Cl)c2F)C1)N1CCOCC1 ZINC000792174244 655087659 /nfs/dbraw/zinc/08/76/59/655087659.db2.gz OXFDLENVQXMZII-GFCCVEGCSA-N 1 2 392.880 1.811 20 10 GDCDLO CN(C)S(=O)(=O)N1CCC[C@@H]([NH2+]Cc2cccc(Br)c2O)C1 ZINC000808424501 655109006 /nfs/dbraw/zinc/10/90/06/655109006.db2.gz IKCSOOIULNJWQU-GFCCVEGCSA-N 1 2 392.319 1.515 20 10 GDCDLO CCOC(=O)C1(S(C)(=O)=O)CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000289709865 532331255 /nfs/dbraw/zinc/33/12/55/532331255.db2.gz OYDIXHLTHKRZSA-UHFFFAOYSA-N 1 2 375.874 1.988 20 10 GDCDLO COc1cc(Br)cc(C[N@@H+]2CCC[C@@H](S(N)(=O)=O)C2)c1O ZINC000372738281 645840888 /nfs/dbraw/zinc/84/08/88/645840888.db2.gz JMUYUHLMKWHJGI-LLVKDONJSA-N 1 2 379.276 1.416 20 10 GDCDLO COc1cc(Br)cc(C[N@H+]2CCC[C@@H](S(N)(=O)=O)C2)c1O ZINC000372738281 645840891 /nfs/dbraw/zinc/84/08/91/645840891.db2.gz JMUYUHLMKWHJGI-LLVKDONJSA-N 1 2 379.276 1.416 20 10 GDCDLO CCNS(=O)(=O)[C@@H]1CC[N@H+](Cc2cc(C)cc(Br)c2O)C1 ZINC000781921800 654820716 /nfs/dbraw/zinc/82/07/16/654820716.db2.gz WKHGYNJYWZLDJP-GFCCVEGCSA-N 1 2 377.304 1.977 20 10 GDCDLO CCNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cc(C)cc(Br)c2O)C1 ZINC000781921800 654820717 /nfs/dbraw/zinc/82/07/17/654820717.db2.gz WKHGYNJYWZLDJP-GFCCVEGCSA-N 1 2 377.304 1.977 20 10 GDCDLO Cn1nncc1S(=O)(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000795116945 655162383 /nfs/dbraw/zinc/16/23/83/655162383.db2.gz XPUMKFQHNMPDKQ-CYBMUJFWSA-N 1 2 385.877 1.117 20 10 GDCDLO Cn1nncc1S(=O)(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000795116945 655162386 /nfs/dbraw/zinc/16/23/86/655162386.db2.gz XPUMKFQHNMPDKQ-CYBMUJFWSA-N 1 2 385.877 1.117 20 10 GDCDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(Cc2ccc(Br)cc2O)CC1 ZINC000824542779 655477125 /nfs/dbraw/zinc/47/71/25/655477125.db2.gz XLMLHQDXECZRSB-LBPRGKRZSA-N 1 2 382.302 1.939 20 10 GDCDLO O=C1C[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CN1CC[NH+]1CCOCC1 ZINC000178902826 530729960 /nfs/dbraw/zinc/72/99/60/530729960.db2.gz HJERTLOAJHFVNT-AWEZNQCLSA-N 1 2 388.295 1.722 20 10 GDCDLO COc1cc(Br)cc(C[N@@H+]2CCCN(S(C)(=O)=O)CC2)c1O ZINC000125092714 531002721 /nfs/dbraw/zinc/00/27/21/531002721.db2.gz CNCKUKQPEJLHHS-UHFFFAOYSA-N 1 2 393.303 1.631 20 10 GDCDLO COc1cc(Br)cc(C[N@H+]2CCCN(S(C)(=O)=O)CC2)c1O ZINC000125092714 531002726 /nfs/dbraw/zinc/00/27/26/531002726.db2.gz CNCKUKQPEJLHHS-UHFFFAOYSA-N 1 2 393.303 1.631 20 10 GDCDLO COc1ccc(N2CC[NH+](CCNC(=O)[C@H]3CSCCS3)CC2)cc1 ZINC000267436857 531424927 /nfs/dbraw/zinc/42/49/27/531424927.db2.gz ABZXGLUEJLTBDX-QGZVFWFLSA-N 1 2 381.567 1.782 20 10 GDCDLO COc1ccc(N2CC[NH+](CCNC(=O)[C@@H]3CSCCS3)CC2)cc1 ZINC000267436855 531425007 /nfs/dbraw/zinc/42/50/07/531425007.db2.gz ABZXGLUEJLTBDX-KRWDZBQOSA-N 1 2 381.567 1.782 20 10 GDCDLO CN(CC[NH+](C)C)C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O ZINC000267515176 531430924 /nfs/dbraw/zinc/43/09/24/531430924.db2.gz NCPIQMMRNBTAQT-UHFFFAOYSA-N 1 2 383.495 1.888 20 10 GDCDLO CC(=O)NCC(=O)N1CCC[N@H+](Cc2cccc(Br)c2O)CC1 ZINC000529666459 649950531 /nfs/dbraw/zinc/95/05/31/649950531.db2.gz YIIYILCEHCFSTR-UHFFFAOYSA-N 1 2 384.274 1.325 20 10 GDCDLO CC(=O)NCC(=O)N1CCC[N@@H+](Cc2cccc(Br)c2O)CC1 ZINC000529666459 649950533 /nfs/dbraw/zinc/95/05/33/649950533.db2.gz YIIYILCEHCFSTR-UHFFFAOYSA-N 1 2 384.274 1.325 20 10 GDCDLO Cc1cc(Br)c(O)c(CN2CC[NH+](CC[S@@](C)=O)CC2)c1 ZINC000781912533 654820413 /nfs/dbraw/zinc/82/04/13/654820413.db2.gz QJYFOSGCFRFHKW-OAQYLSRUSA-N 1 2 375.332 1.959 20 10 GDCDLO Cc1cc(Br)c(O)c(C[N@@H+]2CCC[C@@H](N3CCNCC3=O)C2)c1 ZINC000843064000 655387842 /nfs/dbraw/zinc/38/78/42/655387842.db2.gz DRMNRPKURMDXBX-CQSZACIVSA-N 1 2 382.302 1.859 20 10 GDCDLO Cc1cc(Br)c(O)c(C[N@H+]2CCC[C@@H](N3CCNCC3=O)C2)c1 ZINC000843064000 655387844 /nfs/dbraw/zinc/38/78/44/655387844.db2.gz DRMNRPKURMDXBX-CQSZACIVSA-N 1 2 382.302 1.859 20 10 GDCDLO O=S(=O)(CC[NH2+]Cc1cc(Br)cc(F)c1O)N1CCOCC1 ZINC000882985505 657261840 /nfs/dbraw/zinc/26/18/40/657261840.db2.gz AFIHJYPHKSHEAS-UHFFFAOYSA-N 1 2 397.266 1.045 20 10 GDCDLO CS(=O)(=O)CCOCC[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000883017914 657264132 /nfs/dbraw/zinc/26/41/32/657264132.db2.gz HGDFLKLEDUDVIT-UHFFFAOYSA-N 1 2 386.695 1.959 20 10 GDCDLO CNS(=O)(=O)NC1CC[NH+](Cc2cc(Br)cc(F)c2O)CC1 ZINC000894608699 658591418 /nfs/dbraw/zinc/59/14/18/658591418.db2.gz KQQCMZOVAAVCFX-UHFFFAOYSA-N 1 2 396.282 1.312 20 10 GDCDLO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1Cc1cccc(Cl)c1O ZINC000824999365 947033975 /nfs/dbraw/zinc/03/39/75/947033975.db2.gz GAFUTMVOXGWRDP-LLVKDONJSA-N 1 2 386.847 1.726 20 10 GDCDLO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@H+]1Cc1cccc(Cl)c1O ZINC000824999365 947033988 /nfs/dbraw/zinc/03/39/88/947033988.db2.gz GAFUTMVOXGWRDP-LLVKDONJSA-N 1 2 386.847 1.726 20 10 GDCDLO O=S1(=O)CC[C@@]2(C1)C[C@@H]([NH2+]Cc1cccc(Br)c1O)CCO2 ZINC000776498327 654691742 /nfs/dbraw/zinc/69/17/42/654691742.db2.gz JSARFHGJSJDESG-WFASDCNBSA-N 1 2 390.299 1.981 20 10 GDCDLO O=S(=O)([C@H]1CCC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1)N1CCOCC1 ZINC000816565146 655329238 /nfs/dbraw/zinc/32/92/38/655329238.db2.gz DAWBWWRCKRXIQR-ZDUSSCGKSA-N 1 2 392.880 1.811 20 10 GDCDLO O=S(=O)([C@H]1CCC[N@H+](Cc2cc(Cl)c(F)cc2O)C1)N1CCOCC1 ZINC000816565146 655329240 /nfs/dbraw/zinc/32/92/40/655329240.db2.gz DAWBWWRCKRXIQR-ZDUSSCGKSA-N 1 2 392.880 1.811 20 10 GDCDLO Cc1cc(Br)c(O)c(C[N@@H+]2CCC[C@H](N3CCNCC3=O)C2)c1 ZINC000843063999 655387858 /nfs/dbraw/zinc/38/78/58/655387858.db2.gz DRMNRPKURMDXBX-AWEZNQCLSA-N 1 2 382.302 1.859 20 10 GDCDLO Cc1cc(Br)c(O)c(C[N@H+]2CCC[C@H](N3CCNCC3=O)C2)c1 ZINC000843063999 655387859 /nfs/dbraw/zinc/38/78/59/655387859.db2.gz DRMNRPKURMDXBX-AWEZNQCLSA-N 1 2 382.302 1.859 20 10 GDCDLO NC(=O)c1cccnc1N1CC[NH+](Cc2ccc(Br)cc2O)CC1 ZINC000824556313 655477351 /nfs/dbraw/zinc/47/73/51/655477351.db2.gz OUSYNUKDSBAZIM-UHFFFAOYSA-N 1 2 391.269 1.971 20 10 GDCDLO CCOC(=O)N1C[C@@H](CO)[C@@H]([NH2+]Cc2cc(Br)cc(F)c2O)C1 ZINC000898349047 658927728 /nfs/dbraw/zinc/92/77/28/658927728.db2.gz VSMKCPHROUUACH-GWCFXTLKSA-N 1 2 391.237 1.833 20 10 GDCDLO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1Cc1cc(Cl)ccc1O ZINC000825001081 608834081 /nfs/dbraw/zinc/83/40/81/608834081.db2.gz WWDVBEBESFPFTD-LLVKDONJSA-N 1 2 386.847 1.726 20 10 GDCDLO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@H+]1Cc1cc(Cl)ccc1O ZINC000825001081 608834084 /nfs/dbraw/zinc/83/40/84/608834084.db2.gz WWDVBEBESFPFTD-LLVKDONJSA-N 1 2 386.847 1.726 20 10 GDCDLO COc1cc(Br)cc(CN2CC[NH+](C(C)(C)C(N)=O)CC2)c1O ZINC000769503797 654467604 /nfs/dbraw/zinc/46/76/04/654467604.db2.gz MMJDTYCKRAADKC-UHFFFAOYSA-N 1 2 386.290 1.545 20 10 GDCDLO Cc1cc(Br)c(O)c(C[N@@H+]2CCC[C@H](NS(C)(=O)=O)C2)c1 ZINC000781896384 654819803 /nfs/dbraw/zinc/81/98/03/654819803.db2.gz JBKGWVUHWKFRMZ-LBPRGKRZSA-N 1 2 377.304 1.977 20 10 GDCDLO Cc1cc(Br)c(O)c(C[N@H+]2CCC[C@H](NS(C)(=O)=O)C2)c1 ZINC000781896384 654819806 /nfs/dbraw/zinc/81/98/06/654819806.db2.gz JBKGWVUHWKFRMZ-LBPRGKRZSA-N 1 2 377.304 1.977 20 10 GDCDLO Cn1ccc(S(=O)(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)n1 ZINC000827195140 655507387 /nfs/dbraw/zinc/50/73/87/655507387.db2.gz WJYHCWOODWPPBP-CQSZACIVSA-N 1 2 384.889 1.722 20 10 GDCDLO Cn1ccc(S(=O)(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)n1 ZINC000827195140 655507388 /nfs/dbraw/zinc/50/73/88/655507388.db2.gz WJYHCWOODWPPBP-CQSZACIVSA-N 1 2 384.889 1.722 20 10 GDCDLO Cn1cc(/C=C2\SC(=S)N(CCC[NH+]3CCOCC3)C2=O)c(Cl)n1 ZINC000856719530 655715075 /nfs/dbraw/zinc/71/50/75/655715075.db2.gz VFGLBIUSJZGPSB-XFXZXTDPSA-N 1 2 386.930 1.997 20 10 GDCDLO CN1C(=O)NC2(CC[NH+](Cc3cc(Br)cc(F)c3O)CC2)C1=O ZINC000894775745 658610019 /nfs/dbraw/zinc/61/00/19/658610019.db2.gz BPPXUCCPZGUSGX-UHFFFAOYSA-N 1 2 386.221 1.810 20 10 GDCDLO C[C@@H]([NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)c1cc([N+](=O)[O-])ccc1O ZINC000273470702 532152303 /nfs/dbraw/zinc/15/23/03/532152303.db2.gz JODKELURRNEDNH-ZYHUDNBSSA-N 1 2 386.451 1.847 20 10 GDCDLO COCC[N@H+](Cc1ccc(Br)cc1O)[C@H]1CCS(=O)(=O)C1 ZINC000825934371 655494991 /nfs/dbraw/zinc/49/49/91/655494991.db2.gz HQIXDPSQXALLKX-ZDUSSCGKSA-N 1 2 378.288 1.790 20 10 GDCDLO COCC[N@@H+](Cc1ccc(Br)cc1O)[C@H]1CCS(=O)(=O)C1 ZINC000825934371 655494992 /nfs/dbraw/zinc/49/49/92/655494992.db2.gz HQIXDPSQXALLKX-ZDUSSCGKSA-N 1 2 378.288 1.790 20 10 GDCDLO CO[C@@]1(C[NH2+]Cc2cc(Br)cc(F)c2O)CCS(=O)(=O)C1 ZINC000922619540 656497043 /nfs/dbraw/zinc/49/70/43/656497043.db2.gz UXQCSSDCQOIJOV-CYBMUJFWSA-N 1 2 382.251 1.587 20 10 GDCDLO O=C1OC[C@]2(C[NH2+]Cc3cc(Br)cc(F)c3O)COCCN12 ZINC000883197486 657277838 /nfs/dbraw/zinc/27/78/38/657277838.db2.gz MZOBZGNVTRZZBP-AWEZNQCLSA-N 1 2 375.194 1.605 20 10 GDCDLO O=C1C[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CN1CC[NH+]1CCOCC1 ZINC000178902817 530729892 /nfs/dbraw/zinc/72/98/92/530729892.db2.gz HJERTLOAJHFVNT-CQSZACIVSA-N 1 2 388.295 1.722 20 10 GDCDLO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000158039432 531207531 /nfs/dbraw/zinc/20/75/31/531207531.db2.gz JUGKXWQHIPJPQL-IUODEOHRSA-N 1 2 386.901 1.561 20 10 GDCDLO O=C(N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000158039432 531207532 /nfs/dbraw/zinc/20/75/32/531207532.db2.gz JUGKXWQHIPJPQL-IUODEOHRSA-N 1 2 386.901 1.561 20 10 GDCDLO CC[N@H+](Cc1cn(CC(=O)OC)nn1)Cc1cc(Br)ccc1O ZINC000294825609 531499837 /nfs/dbraw/zinc/49/98/37/531499837.db2.gz NBDRTODLFXAZFM-UHFFFAOYSA-N 1 2 383.246 1.941 20 10 GDCDLO CC[N@@H+](Cc1cn(CC(=O)OC)nn1)Cc1cc(Br)ccc1O ZINC000294825609 531499841 /nfs/dbraw/zinc/49/98/41/531499841.db2.gz NBDRTODLFXAZFM-UHFFFAOYSA-N 1 2 383.246 1.941 20 10 GDCDLO CNS(=O)(=O)[C@@H]1CCC[N@H+](Cc2cc(Br)cc(OC)c2O)C1 ZINC000372403206 645812054 /nfs/dbraw/zinc/81/20/54/645812054.db2.gz ANCZEVYZWZPINI-GFCCVEGCSA-N 1 2 393.303 1.677 20 10 GDCDLO CNS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2cc(Br)cc(OC)c2O)C1 ZINC000372403206 645812060 /nfs/dbraw/zinc/81/20/60/645812060.db2.gz ANCZEVYZWZPINI-GFCCVEGCSA-N 1 2 393.303 1.677 20 10 GDCDLO COc1cc(Br)cc(CN2CC[NH+](CC[S@@](C)=O)CC2)c1O ZINC000769481332 654466527 /nfs/dbraw/zinc/46/65/27/654466527.db2.gz UPMUYEOYNPSVAS-JOCHJYFZSA-N 1 2 391.331 1.659 20 10 GDCDLO O=S(=O)(CC[NH2+]Cc1cc(Cl)cc(F)c1O)NC[C@H]1CCCCO1 ZINC000776189549 654684590 /nfs/dbraw/zinc/68/45/90/654684590.db2.gz IABAHPZEGCAMKF-CYBMUJFWSA-N 1 2 380.869 1.763 20 10 GDCDLO O=S1(=O)CCCN1CC[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000708088581 654834158 /nfs/dbraw/zinc/83/41/58/654834158.db2.gz HRWYITPPJLAWQB-UHFFFAOYSA-N 1 2 383.695 1.933 20 10 GDCDLO Cc1cc(Br)c(O)c(C[NH+]2CCN(c3nccn(C)c3=O)CC2)c1 ZINC000781911422 654820236 /nfs/dbraw/zinc/82/02/36/654820236.db2.gz MIPJONCFESVMMO-UHFFFAOYSA-N 1 2 393.285 1.879 20 10 GDCDLO CO[C@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000708135207 654834072 /nfs/dbraw/zinc/83/40/72/654834072.db2.gz XNCLDZYDFMYJJN-QWRGUYRKSA-N 1 2 384.679 1.710 20 10 GDCDLO O=C(NCCCSc1nccs1)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000806281301 655062596 /nfs/dbraw/zinc/06/25/96/655062596.db2.gz SZDKZRNDUKQVHA-GFCCVEGCSA-N 1 2 379.511 1.871 20 10 GDCDLO C[N@@H+](Cc1cc(Br)cc(F)c1O)C[C@H](O)CN1CCOCC1 ZINC000894043740 658499671 /nfs/dbraw/zinc/49/96/71/658499671.db2.gz RSJMLYCDPZARBG-ZDUSSCGKSA-N 1 2 377.254 1.419 20 10 GDCDLO C[N@H+](Cc1cc(Br)cc(F)c1O)C[C@H](O)CN1CCOCC1 ZINC000894043740 658499678 /nfs/dbraw/zinc/49/96/78/658499678.db2.gz RSJMLYCDPZARBG-ZDUSSCGKSA-N 1 2 377.254 1.419 20 10 GDCDLO CN(CCO)S(=O)(=O)c1ccccc1C[NH2+]Cc1cccc(Cl)c1O ZINC000182208108 530796407 /nfs/dbraw/zinc/79/64/07/530796407.db2.gz YZPRVYJTCGLNQF-UHFFFAOYSA-N 1 2 384.885 1.948 20 10 GDCDLO COC[C@H](C)OC[C@H](O)C[N@H+](CC(=O)OC)Cc1cc(Cl)ccc1O ZINC000278211808 531343760 /nfs/dbraw/zinc/34/37/60/531343760.db2.gz DEWHGJOGXURPLH-SWLSCSKDSA-N 1 2 375.849 1.433 20 10 GDCDLO COC[C@H](C)OC[C@H](O)C[N@@H+](CC(=O)OC)Cc1cc(Cl)ccc1O ZINC000278211808 531343762 /nfs/dbraw/zinc/34/37/62/531343762.db2.gz DEWHGJOGXURPLH-SWLSCSKDSA-N 1 2 375.849 1.433 20 10 GDCDLO CC[C@H]([NH2+]CCN1CCN(S(C)(=O)=O)CC1)c1cccc(Cl)c1O ZINC000806138508 655060488 /nfs/dbraw/zinc/06/04/88/655060488.db2.gz WMSXURNLVMEXRF-HNNXBMFYSA-N 1 2 375.922 1.664 20 10 GDCDLO CC(C)NS(=O)(=O)NCC[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000760047173 655100338 /nfs/dbraw/zinc/10/03/38/655100338.db2.gz MQNCTAHCUHHLHJ-SECBINFHSA-N 1 2 398.298 1.777 20 10 GDCDLO C[C@H]([NH2+][C@@H]1CCN(S(C)(=O)=O)C1)c1cc(Br)cc(F)c1O ZINC000846188223 655449552 /nfs/dbraw/zinc/44/95/52/655449552.db2.gz MKAIWYVLFYPFPY-WCBMZHEXSA-N 1 2 381.267 1.978 20 10 GDCDLO COC(=O)CCNC(=O)CC[NH2+]Cc1cc(Br)cc(F)c1O ZINC000883190953 657277246 /nfs/dbraw/zinc/27/72/46/657277246.db2.gz OTYAFNBTNDCJAQ-UHFFFAOYSA-N 1 2 377.210 1.453 20 10 GDCDLO CC(=O)NCC(=O)N1CCC[N@H+](Cc2cc(C)cc(Br)c2O)CC1 ZINC000529666222 649950542 /nfs/dbraw/zinc/95/05/42/649950542.db2.gz UOTWFXUMWHCUOR-UHFFFAOYSA-N 1 2 398.301 1.634 20 10 GDCDLO CC(=O)NCC(=O)N1CCC[N@@H+](Cc2cc(C)cc(Br)c2O)CC1 ZINC000529666222 649950545 /nfs/dbraw/zinc/95/05/45/649950545.db2.gz UOTWFXUMWHCUOR-UHFFFAOYSA-N 1 2 398.301 1.634 20 10 GDCDLO C[NH+]1CCN(C(=O)CCNC(=O)NCc2cc(Cl)cc(Cl)c2O)CC1 ZINC000806392448 655064178 /nfs/dbraw/zinc/06/41/78/655064178.db2.gz ZEDGVYLFEBBUIY-UHFFFAOYSA-N 1 2 389.283 1.662 20 10 GDCDLO CS(=O)(=O)N1CCC[C@H]([NH2+]Cc2cc(Br)cc(F)c2O)C1 ZINC000882935011 657258805 /nfs/dbraw/zinc/25/88/05/657258805.db2.gz BJXGQEIIOANQQF-NSHDSACASA-N 1 2 381.267 1.807 20 10 GDCDLO O=C1NC(=O)[C@@]2(CCC[N@@H+](Cc3cc(Cl)cc(Br)c3O)C2)N1 ZINC000894594149 658588727 /nfs/dbraw/zinc/58/87/27/658588727.db2.gz FQHSRSAKNKLBCZ-AWEZNQCLSA-N 1 2 388.649 1.982 20 10 GDCDLO O=C1NC(=O)[C@@]2(CCC[N@H+](Cc3cc(Cl)cc(Br)c3O)C2)N1 ZINC000894594149 658588729 /nfs/dbraw/zinc/58/87/29/658588729.db2.gz FQHSRSAKNKLBCZ-AWEZNQCLSA-N 1 2 388.649 1.982 20 10 GDCDLO C[C@@H]([NH2+]CCS(=O)(=O)NC[C@@H]1CCCCO1)c1ccc(F)c(F)c1O ZINC000187780155 530878501 /nfs/dbraw/zinc/87/85/01/530878501.db2.gz UYTNMCZPMAGKDB-NEPJUHHUSA-N 1 2 378.441 1.810 20 10 GDCDLO O=S1(=O)CC[C@]2(C1)C[C@H]([NH2+]Cc1cccc(Br)c1O)CCO2 ZINC000776498325 654691502 /nfs/dbraw/zinc/69/15/02/654691502.db2.gz JSARFHGJSJDESG-IUODEOHRSA-N 1 2 390.299 1.981 20 10 GDCDLO CC(C)NS(=O)(=O)NCC[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000760047175 655100263 /nfs/dbraw/zinc/10/02/63/655100263.db2.gz MQNCTAHCUHHLHJ-VIFPVBQESA-N 1 2 398.298 1.777 20 10 GDCDLO CC[N@H+](Cc1nnc2c(=O)[nH]ccn12)Cc1cc(Br)ccc1O ZINC000878151815 656709659 /nfs/dbraw/zinc/70/96/59/656709659.db2.gz DWKDSCSFXHCEMX-UHFFFAOYSA-N 1 2 378.230 1.908 20 10 GDCDLO CC[N@@H+](Cc1nnc2c(=O)[nH]ccn12)Cc1cc(Br)ccc1O ZINC000878151815 656709663 /nfs/dbraw/zinc/70/96/63/656709663.db2.gz DWKDSCSFXHCEMX-UHFFFAOYSA-N 1 2 378.230 1.908 20 10 GDCDLO C[C@H]([NH2+]CC[C@@H]1CNCCS1(=O)=O)c1cc(Br)c(F)cc1O ZINC000925789766 656719714 /nfs/dbraw/zinc/71/97/14/656719714.db2.gz XNBRWQYRPJZISN-VHSXEESVSA-N 1 2 395.294 1.721 20 10 GDCDLO O=S1(=O)CCCN1CCC[NH2+]Cc1cc(Br)cc(F)c1O ZINC000882985668 657261854 /nfs/dbraw/zinc/26/18/54/657261854.db2.gz HSJBOCWZVFDOTM-UHFFFAOYSA-N 1 2 381.267 1.809 20 10 GDCDLO O=C(NCCO)C1CC[NH+](Cc2cc(Br)cc(F)c2O)CC1 ZINC000893943027 658478376 /nfs/dbraw/zinc/47/83/76/658478376.db2.gz ODUASOZKXLTSFA-UHFFFAOYSA-N 1 2 375.238 1.614 20 10 GDCDLO O=S1(=O)C[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2O)[C@H](N2CCOCC2)C1 ZINC000265259916 531238252 /nfs/dbraw/zinc/23/82/52/531238252.db2.gz QMNHFDICCXQDAB-ZIAGYGMSSA-N 1 2 395.308 1.286 20 10 GDCDLO Cc1cc(Br)c(O)c(C[NH2+]Cc2nnc3c(=O)n(C)ccn23)c1 ZINC000883332208 657282492 /nfs/dbraw/zinc/28/24/92/657282492.db2.gz PREMIPHZLNFRJS-UHFFFAOYSA-N 1 2 378.230 1.494 20 10 GDCDLO CCOC(=O)N1C[C@@H](CO)[C@H]([NH2+]Cc2cc(Br)cc(F)c2O)C1 ZINC000898349048 658927745 /nfs/dbraw/zinc/92/77/45/658927745.db2.gz VSMKCPHROUUACH-GXFFZTMASA-N 1 2 391.237 1.833 20 10 GDCDLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NCc1cccc(Br)c1O ZINC000277432834 531281103 /nfs/dbraw/zinc/28/11/03/531281103.db2.gz LZBKRSMLEWZWBV-GFCCVEGCSA-N 1 2 385.306 1.590 20 10 GDCDLO CN(C)S(=O)(=O)n1ccnc1C[NH2+]Cc1cccc(Br)c1O ZINC000291593836 531300848 /nfs/dbraw/zinc/30/08/48/531300848.db2.gz PZNVQVLWVQBDJX-UHFFFAOYSA-N 1 2 389.275 1.296 20 10 GDCDLO COc1cc(C)[nH+]c(/C=C2/SC(=S)N(CCNS(C)(=O)=O)C2=O)c1 ZINC000776726829 654706435 /nfs/dbraw/zinc/70/64/35/654706435.db2.gz OEACHTHYQCFZJP-XYOKQWHBSA-N 1 2 387.508 1.149 20 10 GDCDLO O=S(=O)([C@H]1CCC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1)N1CCOCC1 ZINC000792174245 655087740 /nfs/dbraw/zinc/08/77/40/655087740.db2.gz OXFDLENVQXMZII-LBPRGKRZSA-N 1 2 392.880 1.811 20 10 GDCDLO O=S(=O)([C@H]1CCC[N@H+](Cc2c(O)ccc(Cl)c2F)C1)N1CCOCC1 ZINC000792174245 655087745 /nfs/dbraw/zinc/08/77/45/655087745.db2.gz OXFDLENVQXMZII-LBPRGKRZSA-N 1 2 392.880 1.811 20 10 GDCDLO C[C@@H]([NH2+]C[C@H](O)CS(C)(=O)=O)c1cc(Br)cc(Cl)c1O ZINC000927027685 656787620 /nfs/dbraw/zinc/78/76/20/656787620.db2.gz VCMRCZLKAZBNMX-APPZFPTMSA-N 1 2 386.695 1.864 20 10 GDCDLO CN(C)S(=O)(=O)C1(C[NH2+]Cc2cc(Br)cc(F)c2O)CC1 ZINC000886319550 657642393 /nfs/dbraw/zinc/64/23/93/657642393.db2.gz HNXNPAUGSWOSFD-UHFFFAOYSA-N 1 2 381.267 1.807 20 10 GDCDLO COCCN1CCC[N@H+](Cc2cc(Br)cc(OC)c2O)CC1=O ZINC000191703752 530953521 /nfs/dbraw/zinc/95/35/21/530953521.db2.gz ALUOLIHNQTVGRI-UHFFFAOYSA-N 1 2 387.274 1.844 20 10 GDCDLO COCCN1CCC[N@@H+](Cc2cc(Br)cc(OC)c2O)CC1=O ZINC000191703752 530953525 /nfs/dbraw/zinc/95/35/25/530953525.db2.gz ALUOLIHNQTVGRI-UHFFFAOYSA-N 1 2 387.274 1.844 20 10 GDCDLO C[NH+](C)CCCNC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O ZINC000271241299 531988212 /nfs/dbraw/zinc/98/82/12/531988212.db2.gz YUCPGRCWLIMAGQ-UHFFFAOYSA-N 1 2 383.495 1.936 20 10 GDCDLO COc1cc(Br)cc(C[N@@H+]2CCC[C@@H](NS(C)(=O)=O)C2)c1O ZINC000154057600 644801142 /nfs/dbraw/zinc/80/11/42/644801142.db2.gz RGVMDOCALFRFEH-GFCCVEGCSA-N 1 2 393.303 1.677 20 10 GDCDLO COc1cc(Br)cc(C[N@H+]2CCC[C@@H](NS(C)(=O)=O)C2)c1O ZINC000154057600 644801145 /nfs/dbraw/zinc/80/11/45/644801145.db2.gz RGVMDOCALFRFEH-GFCCVEGCSA-N 1 2 393.303 1.677 20 10 GDCDLO Cc1cc(Br)cc(C[NH+]2CCN(c3nccn(C)c3=O)CC2)c1O ZINC000775711903 654673074 /nfs/dbraw/zinc/67/30/74/654673074.db2.gz KBMVDMDFQRRIAG-UHFFFAOYSA-N 1 2 393.285 1.879 20 10 GDCDLO CCNS(=O)(=O)[C@H]1CC[N@H+](Cc2cc(C)cc(Br)c2O)C1 ZINC000781921804 654820662 /nfs/dbraw/zinc/82/06/62/654820662.db2.gz WKHGYNJYWZLDJP-LBPRGKRZSA-N 1 2 377.304 1.977 20 10 GDCDLO CCNS(=O)(=O)[C@H]1CC[N@@H+](Cc2cc(C)cc(Br)c2O)C1 ZINC000781921804 654820665 /nfs/dbraw/zinc/82/06/65/654820665.db2.gz WKHGYNJYWZLDJP-LBPRGKRZSA-N 1 2 377.304 1.977 20 10 GDCDLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCc2cc(Cl)ccc2O)CC1 ZINC000844970680 655421726 /nfs/dbraw/zinc/42/17/26/655421726.db2.gz QVOSTNXGIBICMV-UHFFFAOYSA-N 1 2 389.905 1.354 20 10 GDCDLO CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000876698049 656625609 /nfs/dbraw/zinc/62/56/09/656625609.db2.gz DDNJRGXWNILVGD-LLVKDONJSA-N 1 2 384.274 1.324 20 10 GDCDLO O=C1NC[C@@H](O)CC12CC[NH+](Cc1cc(Br)cc(F)c1O)CC2 ZINC000897044558 658820400 /nfs/dbraw/zinc/82/04/00/658820400.db2.gz CDSYQANNIKLXEI-LBPRGKRZSA-N 1 2 387.249 1.757 20 10 GDCDLO COC[C@@H](C)OC[C@H](O)C[N@H+](CC(=O)OC)Cc1cc(Cl)ccc1O ZINC000278211806 531343160 /nfs/dbraw/zinc/34/31/60/531343160.db2.gz DEWHGJOGXURPLH-IUODEOHRSA-N 1 2 375.849 1.433 20 10 GDCDLO COC[C@@H](C)OC[C@H](O)C[N@@H+](CC(=O)OC)Cc1cc(Cl)ccc1O ZINC000278211806 531343165 /nfs/dbraw/zinc/34/31/65/531343165.db2.gz DEWHGJOGXURPLH-IUODEOHRSA-N 1 2 375.849 1.433 20 10 GDCDLO COC(=O)C[N@H+](Cc1cc(Cl)ccc1O)C[C@H](O)COCC(F)(F)F ZINC000292965003 531392282 /nfs/dbraw/zinc/39/22/82/531392282.db2.gz PNCRYKCUEZWFSN-LBPRGKRZSA-N 1 2 385.766 1.960 20 10 GDCDLO C[NH+]1CCN(C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)CC1 ZINC000271214646 531981414 /nfs/dbraw/zinc/98/14/14/531981414.db2.gz MXBSGOZCZLJFQB-UHFFFAOYSA-N 1 2 381.479 1.642 20 10 GDCDLO COc1cccc(CN2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1O ZINC000826216395 608502287 /nfs/dbraw/zinc/50/22/87/608502287.db2.gz WZXVNCPGMILJND-UHFFFAOYSA-N 1 2 380.452 1.899 20 10 GDCDLO CS(=O)(=O)NC[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(Br)c1O ZINC000800309579 654882330 /nfs/dbraw/zinc/88/23/30/654882330.db2.gz PFNCYUFBYQPCKJ-GXFFZTMASA-N 1 2 377.304 1.962 20 10 GDCDLO CC[C@@H]([NH2+]CCN1CCN(S(C)(=O)=O)CC1)c1cccc(Cl)c1O ZINC000806138509 655060406 /nfs/dbraw/zinc/06/04/06/655060406.db2.gz WMSXURNLVMEXRF-OAHLLOKOSA-N 1 2 375.922 1.664 20 10 GDCDLO C[C@@H](C(=O)NC1CC1)N1CC[NH+](Cc2c(O)cccc2Br)CC1 ZINC000862215280 655842329 /nfs/dbraw/zinc/84/23/29/655842329.db2.gz KHWKSVZABLVTPM-LBPRGKRZSA-N 1 2 382.302 1.939 20 10 GDCDLO CC[N@H+](Cc1nnc2c(=O)n(C)ccn12)Cc1cc(Br)ccc1O ZINC000878153723 656709549 /nfs/dbraw/zinc/70/95/49/656709549.db2.gz PORQQNKKSUEPAC-UHFFFAOYSA-N 1 2 392.257 1.918 20 10 GDCDLO CC[N@@H+](Cc1nnc2c(=O)n(C)ccn12)Cc1cc(Br)ccc1O ZINC000878153723 656709553 /nfs/dbraw/zinc/70/95/53/656709553.db2.gz PORQQNKKSUEPAC-UHFFFAOYSA-N 1 2 392.257 1.918 20 10 GDCDLO NS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000894017634 658493781 /nfs/dbraw/zinc/49/37/81/658493781.db2.gz QDISISYTSUPYQW-SECBINFHSA-N 1 2 381.267 1.794 20 10 GDCDLO NS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000894017634 658493786 /nfs/dbraw/zinc/49/37/86/658493786.db2.gz QDISISYTSUPYQW-SECBINFHSA-N 1 2 381.267 1.794 20 10 GDCDLO Oc1c(F)cccc1C[NH+]1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000826510773 948432037 /nfs/dbraw/zinc/43/20/37/948432037.db2.gz JXLMUOHNCSXWRO-UHFFFAOYSA-N 1 2 385.403 1.899 20 10 GDCDLO C[NH+](C)C1CN(C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)C1 ZINC000270845769 531929427 /nfs/dbraw/zinc/92/94/27/531929427.db2.gz OIERFMANIBQOKZ-UHFFFAOYSA-N 1 2 381.479 1.641 20 10 GDCDLO O=C(C1=CC(=O)CS1)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000738247476 598624923 /nfs/dbraw/zinc/62/49/23/598624923.db2.gz RSWGLNIXJNSQJC-UHFFFAOYSA-N 1 2 384.465 1.982 20 10 GDCDLO O=C(C1=CC(=O)CS1)N1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000738247476 598624925 /nfs/dbraw/zinc/62/49/25/598624925.db2.gz RSWGLNIXJNSQJC-UHFFFAOYSA-N 1 2 384.465 1.982 20 10 GDCDLO CS(=O)(=O)N1CC[C@H]([NH2+]Cc2cc(Cl)cc(Br)c2O)C1 ZINC000708115013 654834211 /nfs/dbraw/zinc/83/42/11/654834211.db2.gz RHPLKWBEKJLWPN-JTQLQIEISA-N 1 2 383.695 1.932 20 10 GDCDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(Cc2ccc(Br)cc2O)CC1 ZINC000824542778 655477094 /nfs/dbraw/zinc/47/70/94/655477094.db2.gz XLMLHQDXECZRSB-GFCCVEGCSA-N 1 2 382.302 1.939 20 10 GDCDLO C[C@@H]([NH2+]CC[C@H]1CNCCS1(=O)=O)c1cc(Br)cc(F)c1O ZINC000925797231 656721207 /nfs/dbraw/zinc/72/12/07/656721207.db2.gz PXEZQONWPTXKQS-KOLCDFICSA-N 1 2 395.294 1.721 20 10 GDCDLO O=C(CN1CC[NH+](Cc2cc(Br)ccc2O)CC1)N1CCCC1 ZINC000119625755 530928639 /nfs/dbraw/zinc/92/86/39/530928639.db2.gz BATQNTDNVQMVFD-UHFFFAOYSA-N 1 2 382.302 1.895 20 10 GDCDLO O=C(C[NH+]1CCN(Cc2cc(Br)ccc2O)CC1)N1CCCC1 ZINC000119625755 530928643 /nfs/dbraw/zinc/92/86/43/530928643.db2.gz BATQNTDNVQMVFD-UHFFFAOYSA-N 1 2 382.302 1.895 20 10 GDCDLO CS(=O)(=O)C1(C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)CC1 ZINC000377064416 532241171 /nfs/dbraw/zinc/24/11/71/532241171.db2.gz AKRHYCVRNWGABI-AWEZNQCLSA-N 1 2 386.901 1.703 20 10 GDCDLO CS(=O)(=O)C1(C(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)CC1 ZINC000377064416 532241176 /nfs/dbraw/zinc/24/11/76/532241176.db2.gz AKRHYCVRNWGABI-AWEZNQCLSA-N 1 2 386.901 1.703 20 10 GDCDLO Oc1c(Br)cccc1CNC(=S)NCCC[NH+]1CCOCC1 ZINC000765991493 655255390 /nfs/dbraw/zinc/25/53/90/655255390.db2.gz APRPDZYYNIHYGA-UHFFFAOYSA-N 1 2 388.331 1.841 20 10 GDCDLO COc1nccc(/C=C2\SC(=S)N(CCC[NH+]3CCOCC3)C2=O)n1 ZINC000841497413 655330474 /nfs/dbraw/zinc/33/04/74/655330474.db2.gz WTJNCRWJUCDASF-QBFSEMIESA-N 1 2 380.495 1.409 20 10 GDCDLO C[C@@H]([NH2+][C@@H]1CCN(S(C)(=O)=O)C1)c1cc(Br)cc(F)c1O ZINC000846188216 655449557 /nfs/dbraw/zinc/44/95/57/655449557.db2.gz MKAIWYVLFYPFPY-PSASIEDQSA-N 1 2 381.267 1.978 20 10 GDCDLO OC[C@H]1C[N@H+](Cc2cc(Br)cc(Br)c2O)C[C@H]1CO ZINC000877764569 656691095 /nfs/dbraw/zinc/69/10/95/656691095.db2.gz FJUYPUYQJQHSAZ-AOOOYVTPSA-N 1 2 395.091 1.950 20 10 GDCDLO OC[C@H]1C[N@@H+](Cc2cc(Br)cc(Br)c2O)C[C@H]1CO ZINC000877764569 656691099 /nfs/dbraw/zinc/69/10/99/656691099.db2.gz FJUYPUYQJQHSAZ-AOOOYVTPSA-N 1 2 395.091 1.950 20 10 GDCDLO CS(=O)(=O)N1CCC[C@@H]1C[NH2+]Cc1cc(Br)cc(F)c1O ZINC000883075352 657267353 /nfs/dbraw/zinc/26/73/53/657267353.db2.gz ZFLVVFIKDJZSRE-LLVKDONJSA-N 1 2 381.267 1.807 20 10 GDCDLO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000894555490 658580471 /nfs/dbraw/zinc/58/04/71/658580471.db2.gz IKZDWPLYCCGKPU-CQSZACIVSA-N 1 2 378.441 1.543 20 10 GDCDLO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000894555490 658580479 /nfs/dbraw/zinc/58/04/79/658580479.db2.gz IKZDWPLYCCGKPU-CQSZACIVSA-N 1 2 378.441 1.543 20 10 GDCDLO C[C@@H]([NH2+]C[C@@]1(CO)COCCN1C)c1cc(Br)cc(F)c1O ZINC000903283896 659312413 /nfs/dbraw/zinc/31/24/13/659312413.db2.gz YBAPMCWIMKRJCW-MEBBXXQBSA-N 1 2 377.254 1.638 20 10 GDCDLO C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1cc(C(=O)[O-])ccc1O ZINC001593221107 994320195 /nfs/dbraw/zinc/32/01/95/994320195.db2.gz WWUUZQYTMCQEDQ-OHRKKDJYSA-N 1 2 375.469 1.825 20 10 GDCDLO C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1cc(C(=O)[O-])ccc1O ZINC001593221107 994320205 /nfs/dbraw/zinc/32/02/05/994320205.db2.gz WWUUZQYTMCQEDQ-OHRKKDJYSA-N 1 2 375.469 1.825 20 10 GDCDLO CCOC(=O)C1(S(C)(=O)=O)CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000289578090 532328347 /nfs/dbraw/zinc/32/83/47/532328347.db2.gz JWNPKXWBDLYBDR-UHFFFAOYSA-N 1 2 375.874 1.988 20 10 GDCDLO COc1ccc(O)c(CN2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000826210272 608581436 /nfs/dbraw/zinc/58/14/36/608581436.db2.gz KTPHSQVARLLUBA-UHFFFAOYSA-N 1 2 380.452 1.899 20 10 GDCDLO COc1cccc(C[NH+]2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)c1O ZINC000826216274 608590775 /nfs/dbraw/zinc/59/07/75/608590775.db2.gz RBEXBNNUTQGPDY-UHFFFAOYSA-N 1 2 397.439 1.769 20 10 GDCDLO Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)c(O)c1O ZINC000826281869 609185499 /nfs/dbraw/zinc/18/54/99/609185499.db2.gz NFONBALINOWWPS-UHFFFAOYSA-N 1 2 394.435 1.544 20 10 GDCDLO Cn1nnnc1CC[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000776256945 654686029 /nfs/dbraw/zinc/68/60/29/654686029.db2.gz ULSQJTNUSOPEOD-UHFFFAOYSA-N 1 2 391.067 1.773 20 10 GDCDLO CO[C@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000708135206 654834174 /nfs/dbraw/zinc/83/41/74/654834174.db2.gz XNCLDZYDFMYJJN-MNOVXSKESA-N 1 2 384.679 1.710 20 10 GDCDLO CS(=O)(=O)N1CC[C@@H]([NH2+]Cc2cc(Cl)cc(Br)c2O)C1 ZINC000708115014 654834191 /nfs/dbraw/zinc/83/41/91/654834191.db2.gz RHPLKWBEKJLWPN-SNVBAGLBSA-N 1 2 383.695 1.932 20 10 GDCDLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)NCc1cccc(Br)c1O ZINC000277432837 531281891 /nfs/dbraw/zinc/28/18/91/531281891.db2.gz LZBKRSMLEWZWBV-LBPRGKRZSA-N 1 2 385.306 1.590 20 10 GDCDLO COc1cc(C)[nH+]c(/C=C2\SC(=S)N(CCNS(C)(=O)=O)C2=O)c1 ZINC000776726828 654706465 /nfs/dbraw/zinc/70/64/65/654706465.db2.gz OEACHTHYQCFZJP-WQLSENKSSA-N 1 2 387.508 1.149 20 10 GDCDLO O=C(NCCCSc1nccs1)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000806275647 655061622 /nfs/dbraw/zinc/06/16/22/655061622.db2.gz OSBSSUKEYCGKSX-UHFFFAOYSA-N 1 2 379.511 1.871 20 10 GDCDLO COc1cc(Br)cc(C[N@@H+]2CCC[C@H](NS(C)(=O)=O)C2)c1O ZINC000154057463 644801168 /nfs/dbraw/zinc/80/11/68/644801168.db2.gz RGVMDOCALFRFEH-LBPRGKRZSA-N 1 2 393.303 1.677 20 10 GDCDLO COc1cc(Br)cc(C[N@H+]2CCC[C@H](NS(C)(=O)=O)C2)c1O ZINC000154057463 644801173 /nfs/dbraw/zinc/80/11/73/644801173.db2.gz RGVMDOCALFRFEH-LBPRGKRZSA-N 1 2 393.303 1.677 20 10 GDCDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)C(=O)NCCCSc2nccs2)C1 ZINC000806282125 655062865 /nfs/dbraw/zinc/06/28/65/655062865.db2.gz HJAYXPLZANVJGS-LBPRGKRZSA-N 1 2 379.511 1.491 20 10 GDCDLO CCN(CC)S(=O)(=O)N1CC[NH+](Cc2cc(Cl)cc(OC)c2O)CC1 ZINC000761184132 655137091 /nfs/dbraw/zinc/13/70/91/655137091.db2.gz RFBFUWSNHHNZKK-UHFFFAOYSA-N 1 2 391.921 1.758 20 10 GDCDLO C[C@H]([NH2+]CC[C@@H]1CNCCS1(=O)=O)c1cc(Br)cc(F)c1O ZINC000925797230 656721284 /nfs/dbraw/zinc/72/12/84/656721284.db2.gz PXEZQONWPTXKQS-GXSJLCMTSA-N 1 2 395.294 1.721 20 10 GDCDLO CN(C)C(=O)CN1CCC([NH2+]Cc2cc(Br)cc(F)c2O)CC1 ZINC000882991419 657261681 /nfs/dbraw/zinc/26/16/81/657261681.db2.gz ZHOCEVWHEBTRND-UHFFFAOYSA-N 1 2 388.281 1.936 20 10 GDCDLO CN1C2(CCC2)COC[C@]1(CO)C[NH2+]Cc1cccc(Br)c1O ZINC000527755828 531335616 /nfs/dbraw/zinc/33/56/16/531335616.db2.gz WQUKSFCPVCFNEK-QGZVFWFLSA-N 1 2 385.302 1.860 20 10 GDCDLO COc1cc(Br)cc(C[N@@H+]2CCC[C@H](S(N)(=O)=O)C2)c1O ZINC000372738284 645840782 /nfs/dbraw/zinc/84/07/82/645840782.db2.gz JMUYUHLMKWHJGI-NSHDSACASA-N 1 2 379.276 1.416 20 10 GDCDLO COc1cc(Br)cc(C[N@H+]2CCC[C@H](S(N)(=O)=O)C2)c1O ZINC000372738284 645840790 /nfs/dbraw/zinc/84/07/90/645840790.db2.gz JMUYUHLMKWHJGI-NSHDSACASA-N 1 2 379.276 1.416 20 10 GDCDLO C[C@H]([NH2+]Cc1nnc2c(=O)n(C)ccn12)c1cc(Br)cc(F)c1O ZINC000883335255 657282187 /nfs/dbraw/zinc/28/21/87/657282187.db2.gz OXMXZTNIHPXUMM-QMMMGPOBSA-N 1 2 396.220 1.886 20 10 GDCDLO C[C@H](CNC(=O)NCc1cccc(Br)c1O)CN1CC[NH+](C)CC1 ZINC000277379029 531276972 /nfs/dbraw/zinc/27/69/72/531276972.db2.gz ICBMIIAFCFVPTK-CYBMUJFWSA-N 1 2 399.333 1.837 20 10 GDCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H](CNS(N)(=O)=O)C2)c1O ZINC000267341864 531420969 /nfs/dbraw/zinc/42/09/69/531420969.db2.gz CLVZRYYLEKCBQV-NSHDSACASA-N 1 2 375.878 1.253 20 10 GDCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H](CNS(N)(=O)=O)C2)c1O ZINC000267341864 531420974 /nfs/dbraw/zinc/42/09/74/531420974.db2.gz CLVZRYYLEKCBQV-NSHDSACASA-N 1 2 375.878 1.253 20 10 GDCDLO CCOC(=O)C1(S(C)(=O)=O)CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000377690826 532269392 /nfs/dbraw/zinc/26/93/92/532269392.db2.gz GPVVYTRUJMLJAF-UHFFFAOYSA-N 1 2 375.874 1.988 20 10 GDCDLO COc1cccc(O)c1C[NH+]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826217458 608503051 /nfs/dbraw/zinc/50/30/51/608503051.db2.gz NBHHCWVECHMQBL-UHFFFAOYSA-N 1 2 380.452 1.899 20 10 GDCDLO COc1cccc(O)c1CN1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826217458 608503053 /nfs/dbraw/zinc/50/30/53/608503053.db2.gz NBHHCWVECHMQBL-UHFFFAOYSA-N 1 2 380.452 1.899 20 10 GDCDLO CNS(=O)(=O)[C@H]1CCC[N@H+](Cc2cc(Br)cc(OC)c2O)C1 ZINC000372403207 645812261 /nfs/dbraw/zinc/81/22/61/645812261.db2.gz ANCZEVYZWZPINI-LBPRGKRZSA-N 1 2 393.303 1.677 20 10 GDCDLO CNS(=O)(=O)[C@H]1CCC[N@@H+](Cc2cc(Br)cc(OC)c2O)C1 ZINC000372403207 645812264 /nfs/dbraw/zinc/81/22/64/645812264.db2.gz ANCZEVYZWZPINI-LBPRGKRZSA-N 1 2 393.303 1.677 20 10 GDCDLO Cc1cc(Br)cc(CN2CC[NH+](CC[S@@](C)=O)CC2)c1O ZINC000775716855 654673357 /nfs/dbraw/zinc/67/33/57/654673357.db2.gz IGIFXLHGNWLQJW-OAQYLSRUSA-N 1 2 375.332 1.959 20 10 GDCDLO Cc1cc(Br)c(O)c(C[NH+]2CCC(NS(C)(=O)=O)CC2)c1 ZINC000781895505 654819820 /nfs/dbraw/zinc/81/98/20/654819820.db2.gz UHMNUUMBNCAITM-UHFFFAOYSA-N 1 2 377.304 1.977 20 10 GDCDLO C[C@H]([NH2+][C@H]1CCN(S(C)(=O)=O)C1)c1cc(Br)cc(F)c1O ZINC000846188226 655449567 /nfs/dbraw/zinc/44/95/67/655449567.db2.gz MKAIWYVLFYPFPY-WPRPVWTQSA-N 1 2 381.267 1.978 20 10 GDCDLO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@H+](Cc3cc(Br)cc(C)c3O)C[C@H]21 ZINC000827390144 655510385 /nfs/dbraw/zinc/51/03/85/655510385.db2.gz UOUVTWCLZIDXGQ-MJBXVCDLSA-N 1 2 390.299 1.707 20 10 GDCDLO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@@H+](Cc3cc(Br)cc(C)c3O)C[C@H]21 ZINC000827390144 655510386 /nfs/dbraw/zinc/51/03/86/655510386.db2.gz UOUVTWCLZIDXGQ-MJBXVCDLSA-N 1 2 390.299 1.707 20 10 GDCDLO C[C@H]([NH2+]C[C@@H](O)CS(C)(=O)=O)c1cc(Br)cc(Cl)c1O ZINC000927027687 656787874 /nfs/dbraw/zinc/78/78/74/656787874.db2.gz VCMRCZLKAZBNMX-IONNQARKSA-N 1 2 386.695 1.864 20 10 GDCDLO CN(C)S(=O)(=O)N1CC([NH2+]Cc2cc(Cl)cc(Br)c2O)C1 ZINC000883191293 657277200 /nfs/dbraw/zinc/27/72/00/657277200.db2.gz YHOWGWMINZMCOD-UHFFFAOYSA-N 1 2 398.710 1.388 20 10 GDCDLO C[C@@H]([NH2+]CCN(C)CCOCCO)c1cc(Br)cc(F)c1O ZINC000883351116 657283273 /nfs/dbraw/zinc/28/32/73/657283273.db2.gz XJEVIINIXWAJIQ-LLVKDONJSA-N 1 2 379.270 1.885 20 10 GDCDLO CNS(=O)(=O)C1CC[NH+](Cc2cc(Br)cc(F)c2O)CC1 ZINC000894022213 658494397 /nfs/dbraw/zinc/49/43/97/658494397.db2.gz VOHPJEVYTBSODW-UHFFFAOYSA-N 1 2 381.267 1.807 20 10 GDCDLO CCCS(=O)(=O)CC(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000158095698 531207761 /nfs/dbraw/zinc/20/77/61/531207761.db2.gz RJFVQNKQAWMTOP-OAHLLOKOSA-N 1 2 388.917 1.951 20 10 GDCDLO CCCS(=O)(=O)CC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000158095698 531207762 /nfs/dbraw/zinc/20/77/62/531207762.db2.gz RJFVQNKQAWMTOP-OAHLLOKOSA-N 1 2 388.917 1.951 20 10 GDCDLO O=S1(=O)CC[C@]2(C1)C[C@@H]([NH2+]Cc1cccc(Br)c1O)CCO2 ZINC000776498326 654691675 /nfs/dbraw/zinc/69/16/75/654691675.db2.gz JSARFHGJSJDESG-SWLSCSKDSA-N 1 2 390.299 1.981 20 10 GDCDLO C[C@@H]([NH2+]CC[C@@H]1CNCCS1(=O)=O)c1cc(Br)cc(F)c1O ZINC000925797232 656721100 /nfs/dbraw/zinc/72/11/00/656721100.db2.gz PXEZQONWPTXKQS-MWLCHTKSSA-N 1 2 395.294 1.721 20 10 GDCDLO COC(=O)c1cc(/C=C2/SC(=S)N(CC[NH+]3CCOCC3)C2=O)c[nH]1 ZINC000267777037 531451959 /nfs/dbraw/zinc/45/19/59/531451959.db2.gz MHVKKWZWIBHGRP-UKTHLTGXSA-N 1 2 381.479 1.335 20 10 GDCDLO C[C@H]([NH2+]CCS(=O)(=O)NC[C@@H]1CCCCO1)c1cc(F)cc(F)c1O ZINC000756706408 655026002 /nfs/dbraw/zinc/02/60/02/655026002.db2.gz QLHYPNDRTHTWBR-AAEUAGOBSA-N 1 2 378.441 1.810 20 10 GDCDLO NC(=O)c1ccc(N2CC[NH+](Cc3ccc(Br)cc3O)CC2)nc1 ZINC000824567323 655477613 /nfs/dbraw/zinc/47/76/13/655477613.db2.gz RQUSBRLQKGSLDM-UHFFFAOYSA-N 1 2 391.269 1.971 20 10 GDCDLO Cn1ccc(S(=O)(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)n1 ZINC000827195137 655507391 /nfs/dbraw/zinc/50/73/91/655507391.db2.gz WJYHCWOODWPPBP-AWEZNQCLSA-N 1 2 384.889 1.722 20 10 GDCDLO Cn1ccc(S(=O)(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)n1 ZINC000827195137 655507393 /nfs/dbraw/zinc/50/73/93/655507393.db2.gz WJYHCWOODWPPBP-AWEZNQCLSA-N 1 2 384.889 1.722 20 10 GDCDLO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@H+](Cc3cc(Br)ccc3O)C[C@H]21 ZINC000827390528 655510365 /nfs/dbraw/zinc/51/03/65/655510365.db2.gz XAGUOZPWLLRBIA-YUTCNCBUSA-N 1 2 376.272 1.399 20 10 GDCDLO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@@H+](Cc3cc(Br)ccc3O)C[C@H]21 ZINC000827390528 655510368 /nfs/dbraw/zinc/51/03/68/655510368.db2.gz XAGUOZPWLLRBIA-YUTCNCBUSA-N 1 2 376.272 1.399 20 10 GDCDLO NS(=O)(=O)C[C@H]1CCC[N@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000894017635 658493654 /nfs/dbraw/zinc/49/36/54/658493654.db2.gz QDISISYTSUPYQW-VIFPVBQESA-N 1 2 381.267 1.794 20 10 GDCDLO NS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000894017635 658493657 /nfs/dbraw/zinc/49/36/57/658493657.db2.gz QDISISYTSUPYQW-VIFPVBQESA-N 1 2 381.267 1.794 20 10 GDCDLO C[C@@H]([NH2+]C[C@@]1(CO)COCCN1C)c1cc(Br)c(F)cc1O ZINC000903277289 659311905 /nfs/dbraw/zinc/31/19/05/659311905.db2.gz FRZHQJSOYWBVED-MEBBXXQBSA-N 1 2 377.254 1.638 20 10 GDCDLO COCCNC(=O)CN1CC[NH+](Cc2cc(Br)ccc2O)CC1 ZINC000121246778 530952696 /nfs/dbraw/zinc/95/26/96/530952696.db2.gz DZKWZOQVIWTQMH-UHFFFAOYSA-N 1 2 386.290 1.035 20 10 GDCDLO COC(=O)C[N@@H+](Cc1cc(Cl)ccc1O)CC1CCS(=O)(=O)CC1 ZINC000271209284 531981140 /nfs/dbraw/zinc/98/11/40/531981140.db2.gz HFYFOJLFFFMORI-UHFFFAOYSA-N 1 2 375.874 1.845 20 10 GDCDLO COC(=O)C[N@H+](Cc1cc(Cl)ccc1O)CC1CCS(=O)(=O)CC1 ZINC000271209284 531981150 /nfs/dbraw/zinc/98/11/50/531981150.db2.gz HFYFOJLFFFMORI-UHFFFAOYSA-N 1 2 375.874 1.845 20 10 GDCDLO C[C@H]([NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)c1cc([N+](=O)[O-])ccc1O ZINC000273470697 532151249 /nfs/dbraw/zinc/15/12/49/532151249.db2.gz JODKELURRNEDNH-CMPLNLGQSA-N 1 2 386.451 1.847 20 10 GDCDLO COc1cc(Br)cc(C[NH+]2CC(n3cc([C@@H](C)O)nn3)C2)c1O ZINC000378537280 532290713 /nfs/dbraw/zinc/29/07/13/532290713.db2.gz VURUWODNLSKSKS-SECBINFHSA-N 1 2 383.246 1.865 20 10 GDCDLO CCN1C(=O)C(=CNNc2cc(Br)nc[nH+]2)C(=O)N(CC)C1=S ZINC000871596933 656274122 /nfs/dbraw/zinc/27/41/22/656274122.db2.gz HRAXTMXMJLBDPB-UHFFFAOYSA-N 1 2 399.274 1.035 20 10 GDCDLO O=S1(=O)CC[C@@](O)(C[NH2+]Cc2cc(Cl)cc(Br)c2O)C1 ZINC000883132802 657274472 /nfs/dbraw/zinc/27/44/72/657274472.db2.gz DZLZFMZYILHDDA-GFCCVEGCSA-N 1 2 384.679 1.447 20 10 GDCDLO OCC[N@H+](CCN1CCOCC1)Cc1cc(Cl)cc(Br)c1O ZINC000893967394 658482221 /nfs/dbraw/zinc/48/22/21/658482221.db2.gz KSRFPZFBWCFPRU-UHFFFAOYSA-N 1 2 393.709 1.935 20 10 GDCDLO OCC[N@@H+](CCN1CCOCC1)Cc1cc(Cl)cc(Br)c1O ZINC000893967394 658482230 /nfs/dbraw/zinc/48/22/30/658482230.db2.gz KSRFPZFBWCFPRU-UHFFFAOYSA-N 1 2 393.709 1.935 20 10 GDCDLO O=C1NC(=O)C2(CC[NH+](Cc3cc(Cl)cc(Br)c3O)CC2)N1 ZINC000894422394 658555336 /nfs/dbraw/zinc/55/53/36/658555336.db2.gz MGJYGGLTJAUFSG-UHFFFAOYSA-N 1 2 388.649 1.982 20 10 GDCDLO C[C@H]([NH2+]C[C@]1(CO)COCCN1C)c1cc(Br)cc(F)c1O ZINC000903283895 659312329 /nfs/dbraw/zinc/31/23/29/659312329.db2.gz YBAPMCWIMKRJCW-BONVTDFDSA-N 1 2 377.254 1.638 20 10 GDCDLO C[C@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)c1cc([N+](=O)[O-])ccc1O ZINC000273470699 532151795 /nfs/dbraw/zinc/15/17/95/532151795.db2.gz JODKELURRNEDNH-JQWIXIFHSA-N 1 2 386.451 1.847 20 10 GDCDLO CC(=O)c1cc(F)cc(C[NH+]2CCN(c3ncccc3-c3nn[nH]n3)CC2)c1O ZINC000819833020 606184154 /nfs/dbraw/zinc/18/41/54/606184154.db2.gz FMQKKXGZYASAHA-UHFFFAOYSA-N 1 2 397.414 1.631 20 10 GDCDLO O=C(NCCCSc1nccs1)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000806278042 655062126 /nfs/dbraw/zinc/06/21/26/655062126.db2.gz NSARRARQFWTGQB-UHFFFAOYSA-N 1 2 375.479 1.706 20 10 GDCDLO C[C@H]([NH2+]C1CN(S(=O)(=O)N(C)C)C1)c1cc(Br)c(F)cc1O ZINC000858569552 655749385 /nfs/dbraw/zinc/74/93/85/655749385.db2.gz KHFYLLGCPHMDIY-QMMMGPOBSA-N 1 2 396.282 1.435 20 10 GDCDLO CS(=O)(=O)N1CC[C@H](C[NH2+]Cc2cc(Br)cc(F)c2O)C1 ZINC000883075008 657267311 /nfs/dbraw/zinc/26/73/11/657267311.db2.gz OQYWNQLMGBBNHA-SECBINFHSA-N 1 2 381.267 1.665 20 10 GDCDLO OCCOC1(C[NH2+]Cc2cc(Br)cc(F)c2O)CCOCC1 ZINC000883112739 657272432 /nfs/dbraw/zinc/27/24/32/657272432.db2.gz WGAVOVWOJHKWIV-UHFFFAOYSA-N 1 2 378.238 1.942 20 10 GDCDLO O=S(=O)(CCC[NH+]1CCOCC1)NCc1cccc(Br)c1O ZINC000277424769 531280916 /nfs/dbraw/zinc/28/09/16/531280916.db2.gz BHQPPWNQCAGKAZ-UHFFFAOYSA-N 1 2 393.303 1.296 20 10 GDCDLO COc1cc(Br)cc(C[NH+]2CCN(c3nncn3C)CC2)c1O ZINC000848924995 655502137 /nfs/dbraw/zinc/50/21/37/655502137.db2.gz KIKDIFSLRMUVJJ-UHFFFAOYSA-N 1 2 382.262 1.614 20 10 GDCDLO COc1cc(Br)cc(C[NH+]2CCN(c3nccnn3)CC2)c1O ZINC000862436642 655846574 /nfs/dbraw/zinc/84/65/74/655846574.db2.gz HGCFWLHCGSUDNH-UHFFFAOYSA-N 1 2 380.246 1.671 20 10 GDCDLO C[C@H](CS(C)(=O)=O)C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134267193 531098387 /nfs/dbraw/zinc/09/83/87/531098387.db2.gz XVPDZCISNWNEGL-DOMZBBRYSA-N 1 2 388.917 1.807 20 10 GDCDLO C[C@H](CS(C)(=O)=O)C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134267193 531098388 /nfs/dbraw/zinc/09/83/88/531098388.db2.gz XVPDZCISNWNEGL-DOMZBBRYSA-N 1 2 388.917 1.807 20 10 GDCDLO CCCS(=O)(=O)CC(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000158095838 531207649 /nfs/dbraw/zinc/20/76/49/531207649.db2.gz RJFVQNKQAWMTOP-HNNXBMFYSA-N 1 2 388.917 1.951 20 10 GDCDLO CCCS(=O)(=O)CC(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000158095838 531207650 /nfs/dbraw/zinc/20/76/50/531207650.db2.gz RJFVQNKQAWMTOP-HNNXBMFYSA-N 1 2 388.917 1.951 20 10 GDCDLO CN(C)c1[nH+]cc(CNC(=O)NCc2cccc(Br)c2O)n1C ZINC000277334463 531273595 /nfs/dbraw/zinc/27/35/95/531273595.db2.gz FFYUYQBDFGFSCM-UHFFFAOYSA-N 1 2 382.262 1.954 20 10 GDCDLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)NCc1cc(Br)ccc1O ZINC000805186325 655031027 /nfs/dbraw/zinc/03/10/27/655031027.db2.gz GERDICHPJZTGBN-LBPRGKRZSA-N 1 2 385.306 1.590 20 10 GDCDLO O=S1(=O)CCC(O)(C[NH2+]Cc2cc(Br)cc(F)c2O)CC1 ZINC000883016773 657263538 /nfs/dbraw/zinc/26/35/38/657263538.db2.gz LOUFCLRTLRLOMM-UHFFFAOYSA-N 1 2 382.251 1.323 20 10 GDCDLO O=C1NC(=O)[C@]2(CCC[N@@H+](Cc3cc(Cl)cc(Br)c3O)C2)N1 ZINC000894594150 658588659 /nfs/dbraw/zinc/58/86/59/658588659.db2.gz FQHSRSAKNKLBCZ-CQSZACIVSA-N 1 2 388.649 1.982 20 10 GDCDLO O=C1NC(=O)[C@]2(CCC[N@H+](Cc3cc(Cl)cc(Br)c3O)C2)N1 ZINC000894594150 658588666 /nfs/dbraw/zinc/58/86/66/658588666.db2.gz FQHSRSAKNKLBCZ-CQSZACIVSA-N 1 2 388.649 1.982 20 10 GDCDLO O=S(=O)(CC[NH2+]Cc1cc(Cl)cc(F)c1O)NC[C@@H]1CCCCO1 ZINC000776189554 654684533 /nfs/dbraw/zinc/68/45/33/654684533.db2.gz IABAHPZEGCAMKF-ZDUSSCGKSA-N 1 2 380.869 1.763 20 10 GDCDLO C[C@@H]([NH2+]CCS(=O)(=O)NC[C@@H]1CCCCO1)c1cc(F)cc(F)c1O ZINC000756706418 655025969 /nfs/dbraw/zinc/02/59/69/655025969.db2.gz QLHYPNDRTHTWBR-YPMHNXCESA-N 1 2 378.441 1.810 20 10 GDCDLO COc1nccc(/C=C2/SC(=S)N(CCC[NH+]3CCOCC3)C2=O)n1 ZINC000841497412 655330529 /nfs/dbraw/zinc/33/05/29/655330529.db2.gz WTJNCRWJUCDASF-ACCUITESSA-N 1 2 380.495 1.409 20 10 GDCDLO C[C@@H]([NH2+]Cc1nnc2c(=O)n(C)ccn12)c1cc(Br)c(F)cc1O ZINC000883335312 657282565 /nfs/dbraw/zinc/28/25/65/657282565.db2.gz QACHWEBVAQZXTQ-MRVPVSSYSA-N 1 2 396.220 1.886 20 10 GDCDLO COc1cc(Br)cc(C[NH+]2CCN(Cc3nnc(C)[nH]3)CC2)c1O ZINC000895267190 658681358 /nfs/dbraw/zinc/68/13/58/658681358.db2.gz RDTXJGWXFXISAO-UHFFFAOYSA-N 1 2 396.289 1.908 20 10 GDCDLO CCOC(=O)N1C[C@H](CO)[C@H]([NH2+]Cc2cc(Br)cc(F)c2O)C1 ZINC000898349050 658927617 /nfs/dbraw/zinc/92/76/17/658927617.db2.gz VSMKCPHROUUACH-ZWNOBZJWSA-N 1 2 391.237 1.833 20 10 GDCDLO COc1ccc(N2CC[NH+](CCCNC3CC[NH+](CC(=O)[O-])CC3)CC2)cc1 ZINC001599585058 993601674 /nfs/dbraw/zinc/60/16/74/993601674.db2.gz HBNCMULZCKMHMY-UHFFFAOYSA-N 1 2 390.528 1.346 20 10 GDCDLO CS(=O)(=O)NC[C@H]1CCC[C@H]1[NH2+]Cc1cccc(Br)c1O ZINC000800309582 654882292 /nfs/dbraw/zinc/88/22/92/654882292.db2.gz PFNCYUFBYQPCKJ-ZWNOBZJWSA-N 1 2 377.304 1.962 20 10 GDCDLO Cc1c(Cl)c(C[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)nn1C ZINC000850355581 655552731 /nfs/dbraw/zinc/55/27/31/655552731.db2.gz HUPAUSPLQWFNMB-UHFFFAOYSA-N 1 2 382.917 1.907 20 10 GDCDLO CS(=O)(=O)CCCC(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000158076781 531207739 /nfs/dbraw/zinc/20/77/39/531207739.db2.gz NORCNPGBEKWQCU-HNNXBMFYSA-N 1 2 388.917 1.951 20 10 GDCDLO CS(=O)(=O)CCCC(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000158076781 531207740 /nfs/dbraw/zinc/20/77/40/531207740.db2.gz NORCNPGBEKWQCU-HNNXBMFYSA-N 1 2 388.917 1.951 20 10 GDCDLO COCC[N@H+](Cc1cc(Br)ccc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000290537968 531240525 /nfs/dbraw/zinc/24/05/25/531240525.db2.gz RBASZDBEZWYIQM-CYBMUJFWSA-N 1 2 378.288 1.790 20 10 GDCDLO COCC[N@@H+](Cc1cc(Br)ccc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000290537968 531240531 /nfs/dbraw/zinc/24/05/31/531240531.db2.gz RBASZDBEZWYIQM-CYBMUJFWSA-N 1 2 378.288 1.790 20 10 GDCDLO CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)NCCn1cc[nH+]c1 ZINC000283224240 531841018 /nfs/dbraw/zinc/84/10/18/531841018.db2.gz BMHJFLHZXDTQAH-UHFFFAOYSA-N 1 2 395.257 1.516 20 10 GDCDLO C[C@H]([NH2+]CCS(=O)(=O)NC[C@H]1CCCCO1)c1cc(F)cc(F)c1O ZINC000756706416 655025985 /nfs/dbraw/zinc/02/59/85/655025985.db2.gz QLHYPNDRTHTWBR-WCQYABFASA-N 1 2 378.441 1.810 20 10 GDCDLO Cn1cc(/C=C2/SC(=S)N(CCC[NH+]3CCOCC3)C2=O)c(Cl)n1 ZINC000856719529 655715065 /nfs/dbraw/zinc/71/50/65/655715065.db2.gz VFGLBIUSJZGPSB-FMIVXFBMSA-N 1 2 386.930 1.997 20 10 GDCDLO Oc1c(Br)cccc1C[NH2+][C@H]1CCN(c2ccc3nncn3n2)C1 ZINC000858243726 655746306 /nfs/dbraw/zinc/74/63/06/655746306.db2.gz NRGCNGCERWMXEP-LBPRGKRZSA-N 1 2 389.257 1.961 20 10 GDCDLO C[C@H]([NH2+]CC[C@H]1CNCCS1(=O)=O)c1cc(Br)cc(F)c1O ZINC000925797233 656721219 /nfs/dbraw/zinc/72/12/19/656721219.db2.gz PXEZQONWPTXKQS-ONGXEEELSA-N 1 2 395.294 1.721 20 10 GDCDLO C[C@@H]([NH2+]CCS(=O)(=O)NC[C@H]1CCCCO1)c1ccc(F)c(F)c1O ZINC000187780196 530878488 /nfs/dbraw/zinc/87/84/88/530878488.db2.gz UYTNMCZPMAGKDB-VXGBXAGGSA-N 1 2 378.441 1.810 20 10 GDCDLO OC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cc(Br)cc(Br)c1O ZINC000363891704 531515349 /nfs/dbraw/zinc/51/53/49/531515349.db2.gz USUDOKJMDCGDIH-VHSXEESVSA-N 1 2 381.064 1.845 20 10 GDCDLO OC[C@@H]1C[C@@H](O)C[N@H+]1Cc1cc(Br)cc(Br)c1O ZINC000363891704 531515358 /nfs/dbraw/zinc/51/53/58/531515358.db2.gz USUDOKJMDCGDIH-VHSXEESVSA-N 1 2 381.064 1.845 20 10 GDCDLO COC(=O)CC1([NH2+]Cc2cc(Cl)cc(F)c2O)CCS(=O)(=O)CC1 ZINC000784670414 654893695 /nfs/dbraw/zinc/89/36/95/654893695.db2.gz MACUHMUHGNIBJW-UHFFFAOYSA-N 1 2 379.837 1.785 20 10 GDCDLO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@H+](Cc3cc(C)cc(Br)c3O)C[C@H]21 ZINC000827390612 655510430 /nfs/dbraw/zinc/51/04/30/655510430.db2.gz YCRDOXJXQJSNME-YUTCNCBUSA-N 1 2 390.299 1.707 20 10 GDCDLO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@@H+](Cc3cc(C)cc(Br)c3O)C[C@H]21 ZINC000827390612 655510432 /nfs/dbraw/zinc/51/04/32/655510432.db2.gz YCRDOXJXQJSNME-YUTCNCBUSA-N 1 2 390.299 1.707 20 10 GDCDLO CS(=O)(=O)N1CCC([NH2+]Cc2cc(Br)cc(F)c2O)CC1 ZINC000882886176 657256771 /nfs/dbraw/zinc/25/67/71/657256771.db2.gz IMPHUYLQQWORRW-UHFFFAOYSA-N 1 2 381.267 1.807 20 10 GDCDLO O=C1COC[C@]2(C[NH2+]Cc3cc(Br)cc(F)c3O)COCCN12 ZINC000883198461 657277912 /nfs/dbraw/zinc/27/79/12/657277912.db2.gz JLJMKCUDAQZDQM-HNNXBMFYSA-N 1 2 389.221 1.011 20 10 GDCDLO O=C1COC[C@@]2(C[NH2+]Cc3cc(Br)cc(F)c3O)COCCN12 ZINC000883198462 657277928 /nfs/dbraw/zinc/27/79/28/657277928.db2.gz JLJMKCUDAQZDQM-OAHLLOKOSA-N 1 2 389.221 1.011 20 10 GDCDLO C[C@@H]([NH2+]CCN(C)CCOCCO)c1cc(Br)c(F)cc1O ZINC000883351199 657283544 /nfs/dbraw/zinc/28/35/44/657283544.db2.gz ZRVILLLKHFEVNY-LLVKDONJSA-N 1 2 379.270 1.885 20 10 GDCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H](CNS(N)(=O)=O)C2)c1O ZINC000267341862 531421123 /nfs/dbraw/zinc/42/11/23/531421123.db2.gz CLVZRYYLEKCBQV-LLVKDONJSA-N 1 2 375.878 1.253 20 10 GDCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H](CNS(N)(=O)=O)C2)c1O ZINC000267341862 531421126 /nfs/dbraw/zinc/42/11/26/531421126.db2.gz CLVZRYYLEKCBQV-LLVKDONJSA-N 1 2 375.878 1.253 20 10 GDCDLO CN1C(=O)N[C@@]2(CCC[C@H]2C[NH2+]Cc2cccc(Br)c2O)C1=O ZINC000748099588 654799722 /nfs/dbraw/zinc/79/97/22/654799722.db2.gz XZRFSIVVHVNORL-MEDUHNTESA-N 1 2 382.258 1.965 20 10 GDCDLO CN(C)c1ccc(C[N@@H+]2CCN3[C@@H](CNS3(=O)=O)C2)c(C(F)(F)F)c1 ZINC000897277281 658838231 /nfs/dbraw/zinc/83/82/31/658838231.db2.gz FUDIBFZLLOJVIV-ZDUSSCGKSA-N 1 2 378.420 1.106 20 10 GDCDLO CN(C)c1ccc(C[N@H+]2CCN3[C@@H](CNS3(=O)=O)C2)c(C(F)(F)F)c1 ZINC000897277281 658838239 /nfs/dbraw/zinc/83/82/39/658838239.db2.gz FUDIBFZLLOJVIV-ZDUSSCGKSA-N 1 2 378.420 1.106 20 10 GDCDLO Cc1cc(C(=O)NC[C@H]2C[N@H+](C)CCO2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737235360 598611810 /nfs/dbraw/zinc/61/18/10/598611810.db2.gz TXTUNLRADVTMBA-KRWDZBQOSA-N 1 2 395.467 1.335 20 10 GDCDLO Cc1cc(C(=O)NC[C@H]2C[N@@H+](C)CCO2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737235360 598611812 /nfs/dbraw/zinc/61/18/12/598611812.db2.gz TXTUNLRADVTMBA-KRWDZBQOSA-N 1 2 395.467 1.335 20 10 GDCDLO C[NH+]1CCN(CCCCNC(=O)NCc2cccc(Br)c2O)CC1 ZINC000764763446 655222616 /nfs/dbraw/zinc/22/26/16/655222616.db2.gz WJCAIVSYVUZMCR-UHFFFAOYSA-N 1 2 399.333 1.982 20 10 GDCDLO NC(=O)CN1CC[N@H+](Cc2c(O)ccc3cc(Br)ccc32)CC1=O ZINC000840160743 655278442 /nfs/dbraw/zinc/27/84/42/655278442.db2.gz WVRTWLQPMRGMAR-UHFFFAOYSA-N 1 2 392.253 1.437 20 10 GDCDLO NC(=O)CN1CC[N@@H+](Cc2c(O)ccc3cc(Br)ccc32)CC1=O ZINC000840160743 655278444 /nfs/dbraw/zinc/27/84/44/655278444.db2.gz WVRTWLQPMRGMAR-UHFFFAOYSA-N 1 2 392.253 1.437 20 10 GDCDLO C[N@@H+](Cc1cc(Cl)cc(Br)c1O)C[C@H](O)CN1CCOCC1 ZINC000894044718 658499749 /nfs/dbraw/zinc/49/97/49/658499749.db2.gz WSBAAICALMMGJJ-ZDUSSCGKSA-N 1 2 393.709 1.933 20 10 GDCDLO C[N@H+](Cc1cc(Cl)cc(Br)c1O)C[C@H](O)CN1CCOCC1 ZINC000894044718 658499762 /nfs/dbraw/zinc/49/97/62/658499762.db2.gz WSBAAICALMMGJJ-ZDUSSCGKSA-N 1 2 393.709 1.933 20 10 GDCDLO O=S(=O)(CC[NH2+]Cc1cc(Br)cc(F)c1O)N1CCCC1 ZINC000897826862 658892685 /nfs/dbraw/zinc/89/26/85/658892685.db2.gz SILXAKKJMSBRMF-UHFFFAOYSA-N 1 2 381.267 1.809 20 10 GDCDLO C[C@@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1cc(C(=O)[O-])ccc1O ZINC001593257232 994527412 /nfs/dbraw/zinc/52/74/12/994527412.db2.gz MOXBWYAYNOKSKJ-OAHLLOKOSA-N 1 2 398.463 1.875 20 10 GDCDLO CNS(=O)(=O)NC1CC[NH+](Cc2cccc(Br)c2O)CC1 ZINC000811500301 655198719 /nfs/dbraw/zinc/19/87/19/655198719.db2.gz YDDGINQPWDASLC-UHFFFAOYSA-N 1 2 378.292 1.173 20 10 GDCDLO COCC[N@H+](Cc1ccc(Br)cc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000825934370 655495036 /nfs/dbraw/zinc/49/50/36/655495036.db2.gz HQIXDPSQXALLKX-CYBMUJFWSA-N 1 2 378.288 1.790 20 10 GDCDLO COCC[N@@H+](Cc1ccc(Br)cc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000825934370 655495038 /nfs/dbraw/zinc/49/50/38/655495038.db2.gz HQIXDPSQXALLKX-CYBMUJFWSA-N 1 2 378.288 1.790 20 10 GDCDLO CO[C@]1(C[NH2+]Cc2cc(Br)cc(F)c2O)CCS(=O)(=O)C1 ZINC000922619541 656497134 /nfs/dbraw/zinc/49/71/34/656497134.db2.gz UXQCSSDCQOIJOV-ZDUSSCGKSA-N 1 2 382.251 1.587 20 10 GDCDLO CS(=O)(=O)N1CCC[C@@H]([NH2+]Cc2cc(Br)cc(F)c2O)C1 ZINC000882935010 657258980 /nfs/dbraw/zinc/25/89/80/657258980.db2.gz BJXGQEIIOANQQF-LLVKDONJSA-N 1 2 381.267 1.807 20 10 GDCDLO COC(=O)c1cn(CC[NH2+]Cc2cc(Cl)cc(Br)c2O)nn1 ZINC000883113263 657272724 /nfs/dbraw/zinc/27/27/24/657272724.db2.gz OHGXKCOMTZHSKA-UHFFFAOYSA-N 1 2 389.637 1.976 20 10 GDCDLO Cn1ccn2c(CC[NH2+]Cc3cc(Br)cc(F)c3O)nnc2c1=O ZINC000886282890 657634993 /nfs/dbraw/zinc/63/49/93/657634993.db2.gz ZHYNGIJWKGWZJB-UHFFFAOYSA-N 1 2 396.220 1.368 20 10 GDCDLO COC(=O)[C@@]1(C[NH2+]Cc2cccc(Br)c2O)C[C@@H]1S(C)(=O)=O ZINC000895508754 658706155 /nfs/dbraw/zinc/70/61/55/658706155.db2.gz JWSHIZMNUZYSGM-SMDDNHRTSA-N 1 2 392.271 1.221 20 10 GDCDLO NS(=O)(=O)C[C@H]1CC[N@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC000897053048 658821055 /nfs/dbraw/zinc/82/10/55/658821055.db2.gz QOWIYIDCDQZBDK-QMMMGPOBSA-N 1 2 383.695 1.919 20 10 GDCDLO NS(=O)(=O)C[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC000897053048 658821071 /nfs/dbraw/zinc/82/10/71/658821071.db2.gz QOWIYIDCDQZBDK-QMMMGPOBSA-N 1 2 383.695 1.919 20 10 GDCDLO Cn1ccnc(N2CC[NH+](Cc3c(O)cccc3Br)CC2)c1=O ZINC000862246740 655843061 /nfs/dbraw/zinc/84/30/61/655843061.db2.gz BUPXLPGIDNTRKE-UHFFFAOYSA-N 1 2 379.258 1.571 20 10 GDCDLO CN(C)c1ccc(C[N@@H+]2CCN3[C@H](CNS3(=O)=O)C2)c(C(F)(F)F)c1 ZINC000897277275 658838328 /nfs/dbraw/zinc/83/83/28/658838328.db2.gz FUDIBFZLLOJVIV-CYBMUJFWSA-N 1 2 378.420 1.106 20 10 GDCDLO CN(C)c1ccc(C[N@H+]2CCN3[C@H](CNS3(=O)=O)C2)c(C(F)(F)F)c1 ZINC000897277275 658838334 /nfs/dbraw/zinc/83/83/34/658838334.db2.gz FUDIBFZLLOJVIV-CYBMUJFWSA-N 1 2 378.420 1.106 20 10 GDCDLO C[C@@H]([NH2+]C[C@]1(CO)COCCN1C)c1cc(Br)cc(F)c1O ZINC000903283894 659312463 /nfs/dbraw/zinc/31/24/63/659312463.db2.gz YBAPMCWIMKRJCW-BMIGLBTASA-N 1 2 377.254 1.638 20 10 GDCDLO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)NCc1cccc(Br)c1O ZINC000277361931 531275815 /nfs/dbraw/zinc/27/58/15/531275815.db2.gz GZJBFIRESHUOHY-ZDUSSCGKSA-N 1 2 399.333 1.980 20 10 GDCDLO Cn1cc(/C=C2/SC(=S)N(CC[NH+]3CCOCC3)C2=O)c(C(F)F)n1 ZINC000291150267 531277945 /nfs/dbraw/zinc/27/79/45/531277945.db2.gz AQPZBCWSSOBMMQ-DHZHZOJOSA-N 1 2 388.465 1.891 20 10 GDCDLO CNS(=O)(=O)NC1CC[NH+](Cc2cc(Cl)cc(C(C)=O)c2O)CC1 ZINC000291108800 531276895 /nfs/dbraw/zinc/27/68/95/531276895.db2.gz KDCZWSQFMVQKLN-UHFFFAOYSA-N 1 2 375.878 1.266 20 10 GDCDLO C[C@@H](C[NH+](C)C)NC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O ZINC000286895329 532184431 /nfs/dbraw/zinc/18/44/31/532184431.db2.gz GNSIQZRLIJBFEX-NSHDSACASA-N 1 2 383.495 1.934 20 10 GDCDLO CCN(Cc1cc(Br)ccc1O)C(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000876698050 656625616 /nfs/dbraw/zinc/62/56/16/656625616.db2.gz DDNJRGXWNILVGD-NSHDSACASA-N 1 2 384.274 1.324 20 10 GDCDLO Cn1ccn2c(CC[NH2+]Cc3cccc(Br)c3O)nnc2c1=O ZINC000886285470 657636646 /nfs/dbraw/zinc/63/66/46/657636646.db2.gz JXMSOAGWUFCQSJ-UHFFFAOYSA-N 1 2 378.230 1.228 20 10 GDCDLO NS(=O)(=O)C[C@@H]1CC[N@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC000897053047 658821335 /nfs/dbraw/zinc/82/13/35/658821335.db2.gz QOWIYIDCDQZBDK-MRVPVSSYSA-N 1 2 383.695 1.919 20 10 GDCDLO NS(=O)(=O)C[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC000897053047 658821348 /nfs/dbraw/zinc/82/13/48/658821348.db2.gz QOWIYIDCDQZBDK-MRVPVSSYSA-N 1 2 383.695 1.919 20 10 GDCDLO C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1cc(C(=O)[O-])ccc1O ZINC001593221109 994320336 /nfs/dbraw/zinc/32/03/36/994320336.db2.gz WWUUZQYTMCQEDQ-WWTUQBGBSA-N 1 2 375.469 1.825 20 10 GDCDLO C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1cc(C(=O)[O-])ccc1O ZINC001593221109 994320346 /nfs/dbraw/zinc/32/03/46/994320346.db2.gz WWUUZQYTMCQEDQ-WWTUQBGBSA-N 1 2 375.469 1.825 20 10 GDCDLO Cn1cc(S(=O)(=O)N2CCC([NH2+]Cc3cccc(Cl)c3O)CC2)cn1 ZINC000182444880 530800098 /nfs/dbraw/zinc/80/00/98/530800098.db2.gz KKWYIPFVXHLING-UHFFFAOYSA-N 1 2 384.889 1.722 20 10 GDCDLO C[C@H]([NH2+]CCS(=O)(=O)NC[C@@H]1CCCCO1)c1ccc(F)c(F)c1O ZINC000187780136 530877357 /nfs/dbraw/zinc/87/73/57/530877357.db2.gz UYTNMCZPMAGKDB-RYUDHWBXSA-N 1 2 378.441 1.810 20 10 GDCDLO COC[C@@H](C)OC[C@@H](O)C[N@H+](CC(=O)OC)Cc1cc(Cl)ccc1O ZINC000278211805 531343588 /nfs/dbraw/zinc/34/35/88/531343588.db2.gz DEWHGJOGXURPLH-DOMZBBRYSA-N 1 2 375.849 1.433 20 10 GDCDLO COC[C@@H](C)OC[C@@H](O)C[N@@H+](CC(=O)OC)Cc1cc(Cl)ccc1O ZINC000278211805 531343592 /nfs/dbraw/zinc/34/35/92/531343592.db2.gz DEWHGJOGXURPLH-DOMZBBRYSA-N 1 2 375.849 1.433 20 10 GDCDLO C[C@H](CNC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O)[NH+](C)C ZINC000267492073 531429247 /nfs/dbraw/zinc/42/92/47/531429247.db2.gz GGVJYLZRESSOOC-LLVKDONJSA-N 1 2 383.495 1.934 20 10 GDCDLO CC[N@H+](C)CCNC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O ZINC000267495726 531429304 /nfs/dbraw/zinc/42/93/04/531429304.db2.gz HGOYMIPVLZDTAN-UHFFFAOYSA-N 1 2 383.495 1.936 20 10 GDCDLO CC[N@@H+](C)CCNC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O ZINC000267495726 531429308 /nfs/dbraw/zinc/42/93/08/531429308.db2.gz HGOYMIPVLZDTAN-UHFFFAOYSA-N 1 2 383.495 1.936 20 10 GDCDLO COC(=O)CN(CCN1CC[NH+](C)CC1)Cc1cc(Cl)cc(Cl)c1O ZINC000281315838 531604292 /nfs/dbraw/zinc/60/42/92/531604292.db2.gz QVMXOAIDXLAQNT-UHFFFAOYSA-N 1 2 390.311 1.921 20 10 GDCDLO Cn1nc(Br)nc1C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000894193130 658518681 /nfs/dbraw/zinc/51/86/81/658518681.db2.gz FRAGRNAAQVMDQZ-UHFFFAOYSA-N 1 2 384.253 1.843 20 10 GDCDLO O=C(CN1CC[NH+](Cc2cc(Br)ccc2O)CC1)N1CCOCC1 ZINC000119953976 530933705 /nfs/dbraw/zinc/93/37/05/530933705.db2.gz SWDMXWUBKAJKDD-UHFFFAOYSA-N 1 2 398.301 1.131 20 10 GDCDLO O=C(CN1CCOCC1)N1CC[NH+](Cc2cc(Br)ccc2O)CC1 ZINC000124305498 530993962 /nfs/dbraw/zinc/99/39/62/530993962.db2.gz RMWLLEZOYDVOBA-UHFFFAOYSA-N 1 2 398.301 1.131 20 10 GDCDLO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000158039279 531207587 /nfs/dbraw/zinc/20/75/87/531207587.db2.gz JUGKXWQHIPJPQL-DOMZBBRYSA-N 1 2 386.901 1.561 20 10 GDCDLO O=C(N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000158039279 531207588 /nfs/dbraw/zinc/20/75/88/531207588.db2.gz JUGKXWQHIPJPQL-DOMZBBRYSA-N 1 2 386.901 1.561 20 10 GDCDLO CN1CCN(c2cc(NCc3cccc(Br)c3O)[nH+]cn2)CC1=O ZINC000277538810 531292154 /nfs/dbraw/zinc/29/21/54/531292154.db2.gz WOAYBTDYOHEBNO-UHFFFAOYSA-N 1 2 392.257 1.835 20 10 GDCDLO CN1CCN(c2cc(NCc3cccc(Br)c3O)nc[nH+]2)CC1=O ZINC000277538810 531292161 /nfs/dbraw/zinc/29/21/61/531292161.db2.gz WOAYBTDYOHEBNO-UHFFFAOYSA-N 1 2 392.257 1.835 20 10 GDCDLO CCS(=O)(=O)NCCC[N@H+](CC(=O)OC)Cc1cc(Cl)ccc1O ZINC000270024318 531821761 /nfs/dbraw/zinc/82/17/61/531821761.db2.gz SUGUDNYZBKSCMS-UHFFFAOYSA-N 1 2 378.878 1.350 20 10 GDCDLO CCS(=O)(=O)NCCC[N@@H+](CC(=O)OC)Cc1cc(Cl)ccc1O ZINC000270024318 531821768 /nfs/dbraw/zinc/82/17/68/531821768.db2.gz SUGUDNYZBKSCMS-UHFFFAOYSA-N 1 2 378.878 1.350 20 10 GDCDLO COc1ccc(N2CC[NH+](CCC[NH2+]C3CCN(C(=O)[O-])CC3)CC2)cc1 ZINC000829424635 604176308 /nfs/dbraw/zinc/17/63/08/604176308.db2.gz QPLJIXWTFHWZMZ-UHFFFAOYSA-N 1 2 376.501 1.939 20 10 GDCDLO CCN1C(=O)[C@@H]2C[N@H+](Cc3cc(C)cc(Br)c3O)CCN2C1=O ZINC000781907180 654820186 /nfs/dbraw/zinc/82/01/86/654820186.db2.gz FSESFSLOYUJZKU-ZDUSSCGKSA-N 1 2 382.258 1.931 20 10 GDCDLO CCN1C(=O)[C@@H]2C[N@@H+](Cc3cc(C)cc(Br)c3O)CCN2C1=O ZINC000781907180 654820188 /nfs/dbraw/zinc/82/01/88/654820188.db2.gz FSESFSLOYUJZKU-ZDUSSCGKSA-N 1 2 382.258 1.931 20 10 GDCDLO C[C@@H]([NH2+]CC1(O)CCS(=O)(=O)CC1)c1cc(Br)cc(F)c1O ZINC000756613124 655024434 /nfs/dbraw/zinc/02/44/34/655024434.db2.gz ZRGVUJPGDCFDFG-SECBINFHSA-N 1 2 396.278 1.884 20 10 GDCDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(=O)NCCCSc2nccs2)C1 ZINC000806282123 655062830 /nfs/dbraw/zinc/06/28/30/655062830.db2.gz HJAYXPLZANVJGS-GFCCVEGCSA-N 1 2 379.511 1.491 20 10 GDCDLO Cn1nncc1S(=O)(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000795116949 655162307 /nfs/dbraw/zinc/16/23/07/655162307.db2.gz XPUMKFQHNMPDKQ-ZDUSSCGKSA-N 1 2 385.877 1.117 20 10 GDCDLO Cn1nncc1S(=O)(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000795116949 655162309 /nfs/dbraw/zinc/16/23/09/655162309.db2.gz XPUMKFQHNMPDKQ-ZDUSSCGKSA-N 1 2 385.877 1.117 20 10 GDCDLO CS(=O)(=O)[C@@H]1C[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C[C@H]1C(F)(F)F ZINC000853531057 655641733 /nfs/dbraw/zinc/64/17/33/655641733.db2.gz WDJXDDTWIFGBJB-SCDSUCTJSA-N 1 2 381.372 1.225 20 10 GDCDLO CS(=O)(=O)[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C[C@H]1C(F)(F)F ZINC000853531057 655641736 /nfs/dbraw/zinc/64/17/36/655641736.db2.gz WDJXDDTWIFGBJB-SCDSUCTJSA-N 1 2 381.372 1.225 20 10 GDCDLO C[C@@H]([NH2+]C1CN(S(=O)(=O)N(C)C)C1)c1cc(Br)cc(F)c1O ZINC000858570429 655749379 /nfs/dbraw/zinc/74/93/79/655749379.db2.gz YVWMPPJVVMIYNT-MRVPVSSYSA-N 1 2 396.282 1.435 20 10 GDCDLO Cc1cc(Cl)cc(C[NH+]2CCN(S(=O)(=O)Cc3ccon3)CC2)c1O ZINC000180513109 530767497 /nfs/dbraw/zinc/76/74/97/530767497.db2.gz BJMCAOLHADMJHX-UHFFFAOYSA-N 1 2 385.873 1.990 20 10 GDCDLO COC(=O)C[N@@H+](Cc1cc(Cl)ccc1O)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000801523321 654926961 /nfs/dbraw/zinc/92/69/61/654926961.db2.gz OPBRQEHLUVOCAU-LBPRGKRZSA-N 1 2 390.889 1.302 20 10 GDCDLO COC(=O)C[N@H+](Cc1cc(Cl)ccc1O)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000801523321 654926962 /nfs/dbraw/zinc/92/69/62/654926962.db2.gz OPBRQEHLUVOCAU-LBPRGKRZSA-N 1 2 390.889 1.302 20 10 GDCDLO CS(=O)(=O)[C@@H]1C[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C[C@H]1C(F)(F)F ZINC000853531056 655641806 /nfs/dbraw/zinc/64/18/06/655641806.db2.gz WDJXDDTWIFGBJB-MPKXVKKWSA-N 1 2 381.372 1.225 20 10 GDCDLO CS(=O)(=O)[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)C[C@H]1C(F)(F)F ZINC000853531056 655641807 /nfs/dbraw/zinc/64/18/07/655641807.db2.gz WDJXDDTWIFGBJB-MPKXVKKWSA-N 1 2 381.372 1.225 20 10 GDCDLO O=C1NC(=O)C2(CCC([NH2+]Cc3cc(Br)cc(F)c3O)CC2)N1 ZINC000883118751 657273460 /nfs/dbraw/zinc/27/34/60/657273460.db2.gz DWJIQDKBSHBPSB-UHFFFAOYSA-N 1 2 386.221 1.904 20 10 GDCDLO CN1C2(CCC2)COC[C@@]1(CO)C[NH2+]Cc1cccc(Br)c1O ZINC000527755825 531336066 /nfs/dbraw/zinc/33/60/66/531336066.db2.gz WQUKSFCPVCFNEK-KRWDZBQOSA-N 1 2 385.302 1.860 20 10 GDCDLO COc1cc(Br)cc(C[NH+]2CC(n3cc([C@H](C)O)nn3)C2)c1O ZINC000378537282 532290953 /nfs/dbraw/zinc/29/09/53/532290953.db2.gz VURUWODNLSKSKS-VIFPVBQESA-N 1 2 383.246 1.865 20 10 GDCDLO COCCN(C)S(=O)(=O)[C@H]1CCC[N@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000894555489 658580387 /nfs/dbraw/zinc/58/03/87/658580387.db2.gz IKZDWPLYCCGKPU-AWEZNQCLSA-N 1 2 378.441 1.543 20 10 GDCDLO COCCN(C)S(=O)(=O)[C@H]1CCC[N@@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000894555489 658580395 /nfs/dbraw/zinc/58/03/95/658580395.db2.gz IKZDWPLYCCGKPU-AWEZNQCLSA-N 1 2 378.441 1.543 20 10 GDCDLO COc1ccc(N2CC[NH+](CCC[NH2+]Cc3c(C(=O)[O-])cnn3C)CC2)cc1 ZINC001594101575 958440504 /nfs/dbraw/zinc/44/05/04/958440504.db2.gz IGDIJPUGBQJRMO-UHFFFAOYSA-N 1 2 387.484 1.429 20 10 GDCDLO COCCN(C)S(=O)(=O)[C@H]1CCC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000190832997 530938803 /nfs/dbraw/zinc/93/88/03/530938803.db2.gz DHOWUXYVQWSOHS-AWEZNQCLSA-N 1 2 376.906 1.918 20 10 GDCDLO COCCN(C)S(=O)(=O)[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000190832997 530938806 /nfs/dbraw/zinc/93/88/06/530938806.db2.gz DHOWUXYVQWSOHS-AWEZNQCLSA-N 1 2 376.906 1.918 20 10 GDCDLO CS(=O)(=O)C1(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)CC1 ZINC000377064418 532240808 /nfs/dbraw/zinc/24/08/08/532240808.db2.gz AKRHYCVRNWGABI-CQSZACIVSA-N 1 2 386.901 1.703 20 10 GDCDLO CS(=O)(=O)C1(C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)CC1 ZINC000377064418 532240811 /nfs/dbraw/zinc/24/08/11/532240811.db2.gz AKRHYCVRNWGABI-CQSZACIVSA-N 1 2 386.901 1.703 20 10 GDCDLO Cc1cc(Br)c(O)c(CN2CC[NH+](CC[S@](C)=O)CC2)c1 ZINC000781912530 654820142 /nfs/dbraw/zinc/82/01/42/654820142.db2.gz QJYFOSGCFRFHKW-NRFANRHFSA-N 1 2 375.332 1.959 20 10 GDCDLO O=C(NCCCSc1nccs1)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000806281302 655062570 /nfs/dbraw/zinc/06/25/70/655062570.db2.gz SZDKZRNDUKQVHA-LBPRGKRZSA-N 1 2 379.511 1.871 20 10 GDCDLO O=S(=O)([C@@H]1CCC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1)N1CCOCC1 ZINC000816565145 655329201 /nfs/dbraw/zinc/32/92/01/655329201.db2.gz DAWBWWRCKRXIQR-CYBMUJFWSA-N 1 2 392.880 1.811 20 10 GDCDLO O=S(=O)([C@@H]1CCC[N@H+](Cc2cc(Cl)c(F)cc2O)C1)N1CCOCC1 ZINC000816565145 655329204 /nfs/dbraw/zinc/32/92/04/655329204.db2.gz DAWBWWRCKRXIQR-CYBMUJFWSA-N 1 2 392.880 1.811 20 10 GDCDLO COC(=O)CNC(=O)[C@H]1CCC[N@@H+]1Cc1cc(C)cc(Br)c1O ZINC000841892319 655354604 /nfs/dbraw/zinc/35/46/04/655354604.db2.gz GNZUXQZIIQWWSA-CYBMUJFWSA-N 1 2 385.258 1.717 20 10 GDCDLO COC(=O)CNC(=O)[C@H]1CCC[N@H+]1Cc1cc(C)cc(Br)c1O ZINC000841892319 655354606 /nfs/dbraw/zinc/35/46/06/655354606.db2.gz GNZUXQZIIQWWSA-CYBMUJFWSA-N 1 2 385.258 1.717 20 10 GDCDLO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@H+](Cc3ccc(Br)cc3O)C[C@H]21 ZINC000827390211 655510379 /nfs/dbraw/zinc/51/03/79/655510379.db2.gz VIKARUIEYMYFPE-YUTCNCBUSA-N 1 2 376.272 1.399 20 10 GDCDLO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@@H+](Cc3ccc(Br)cc3O)C[C@H]21 ZINC000827390211 655510381 /nfs/dbraw/zinc/51/03/81/655510381.db2.gz VIKARUIEYMYFPE-YUTCNCBUSA-N 1 2 376.272 1.399 20 10 GDCDLO O=S1(=O)C[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2O)[C@@H](N2CCOCC2)C1 ZINC000265259913 531238059 /nfs/dbraw/zinc/23/80/59/531238059.db2.gz QMNHFDICCXQDAB-KBPBESRZSA-N 1 2 395.308 1.286 20 10 GDCDLO COc1cc(Br)cc(CN2CC[NH+](CC[S@](C)=O)CC2)c1O ZINC000769481334 654466361 /nfs/dbraw/zinc/46/63/61/654466361.db2.gz UPMUYEOYNPSVAS-QFIPXVFZSA-N 1 2 391.331 1.659 20 10 GDCDLO Cc1cc(Br)c(O)c(C[N@@H+]2CCC[C@@H](NS(C)(=O)=O)C2)c1 ZINC000781896383 654819849 /nfs/dbraw/zinc/81/98/49/654819849.db2.gz JBKGWVUHWKFRMZ-GFCCVEGCSA-N 1 2 377.304 1.977 20 10 GDCDLO Cc1cc(Br)c(O)c(C[N@H+]2CCC[C@@H](NS(C)(=O)=O)C2)c1 ZINC000781896383 654819850 /nfs/dbraw/zinc/81/98/50/654819850.db2.gz JBKGWVUHWKFRMZ-GFCCVEGCSA-N 1 2 377.304 1.977 20 10 GDCDLO CCN1C(=O)[C@H]2C[N@H+](Cc3cc(C)cc(Br)c3O)CCN2C1=O ZINC000781907179 654820013 /nfs/dbraw/zinc/82/00/13/654820013.db2.gz FSESFSLOYUJZKU-CYBMUJFWSA-N 1 2 382.258 1.931 20 10 GDCDLO CCN1C(=O)[C@H]2C[N@@H+](Cc3cc(C)cc(Br)c3O)CCN2C1=O ZINC000781907179 654820020 /nfs/dbraw/zinc/82/00/20/654820020.db2.gz FSESFSLOYUJZKU-CYBMUJFWSA-N 1 2 382.258 1.931 20 10 GDCDLO CS(=O)(=O)NC[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(Br)c1O ZINC000800309577 654882363 /nfs/dbraw/zinc/88/23/63/654882363.db2.gz PFNCYUFBYQPCKJ-GWCFXTLKSA-N 1 2 377.304 1.962 20 10 GDCDLO Cn1ncc(/C=C2/SC(=S)N(CCC[NH+]3CCOCC3)C2=O)c1Cl ZINC000841496392 655329986 /nfs/dbraw/zinc/32/99/86/655329986.db2.gz NXROCMUZYPJRNA-FMIVXFBMSA-N 1 2 386.930 1.997 20 10 GDCDLO CC[N@H+](Cc1cc(Br)ccc1O)[C@@H]1CS(=O)(=O)C[C@@H]1OC ZINC000851792807 655595133 /nfs/dbraw/zinc/59/51/33/655595133.db2.gz PBHOOLOMLDAGRH-OCCSQVGLSA-N 1 2 378.288 1.789 20 10 GDCDLO CC[N@@H+](Cc1cc(Br)ccc1O)[C@@H]1CS(=O)(=O)C[C@@H]1OC ZINC000851792807 655595135 /nfs/dbraw/zinc/59/51/35/655595135.db2.gz PBHOOLOMLDAGRH-OCCSQVGLSA-N 1 2 378.288 1.789 20 10 GDCDLO C[C@H]([NH2+]CCN(C)CCOCCO)c1cc(Br)c(F)cc1O ZINC000883351200 657283482 /nfs/dbraw/zinc/28/34/82/657283482.db2.gz ZRVILLLKHFEVNY-NSHDSACASA-N 1 2 379.270 1.885 20 10 GDCDLO O=C(NCc1cccc(Br)c1O)NCC1([NH+]2CCOCC2)CC1 ZINC000277770262 531310104 /nfs/dbraw/zinc/31/01/04/531310104.db2.gz LCTDRWKLHINLCL-UHFFFAOYSA-N 1 2 384.274 1.819 20 10 GDCDLO Cc1cc(Br)c(O)c(C[NH+]2CCN(CC(=O)NC3CC3)CC2)c1 ZINC000781894017 654819752 /nfs/dbraw/zinc/81/97/52/654819752.db2.gz CPELYZFARBFOKY-UHFFFAOYSA-N 1 2 382.302 1.859 20 10 GDCDLO C[C@@H]([NH2+]C1CN(S(=O)(=O)N(C)C)C1)c1cc(Br)c(F)cc1O ZINC000858569551 655749407 /nfs/dbraw/zinc/74/94/07/655749407.db2.gz KHFYLLGCPHMDIY-MRVPVSSYSA-N 1 2 396.282 1.435 20 10 GDCDLO C[C@H]([NH2+]C[C@@]1(CO)COCCN1C)c1cc(Br)c(F)cc1O ZINC000903277290 659311918 /nfs/dbraw/zinc/31/19/18/659311918.db2.gz FRZHQJSOYWBVED-ZUZCIYMTSA-N 1 2 377.254 1.638 20 10 GDCDLO NC(=O)c1cccnc1N1CC[NH+](Cc2cc(Br)ccc2O)CC1 ZINC000133117135 531087871 /nfs/dbraw/zinc/08/78/71/531087871.db2.gz QADKELCWFBKUQC-UHFFFAOYSA-N 1 2 391.269 1.971 20 10 GDCDLO CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000297972527 531837955 /nfs/dbraw/zinc/83/79/55/531837955.db2.gz WAXOEKMXAKVLDT-UHFFFAOYSA-N 1 2 384.274 1.277 20 10 GDCDLO COCCCS(=O)(=O)N1CC[NH+](Cc2cc(Cl)cc(OC)c2O)CC1 ZINC000273780790 532170035 /nfs/dbraw/zinc/17/00/35/532170035.db2.gz SOCUVBJYEYPCMJ-UHFFFAOYSA-N 1 2 392.905 1.538 20 10 GDCDLO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@H+](Cc3c(O)cccc3Br)C[C@H]21 ZINC000862416923 655846185 /nfs/dbraw/zinc/84/61/85/655846185.db2.gz XRHXAOPVMAFWRI-GDLCADMTSA-N 1 2 376.272 1.399 20 10 GDCDLO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@@H+](Cc3c(O)cccc3Br)C[C@H]21 ZINC000862416923 655846187 /nfs/dbraw/zinc/84/61/87/655846187.db2.gz XRHXAOPVMAFWRI-GDLCADMTSA-N 1 2 376.272 1.399 20 10 GDCDLO NC(=O)c1cn(C2CC[NH+](Cc3cc(Br)cc(F)c3O)CC2)nn1 ZINC000895394186 658693976 /nfs/dbraw/zinc/69/39/76/658693976.db2.gz WIJZVMMAHDMULE-UHFFFAOYSA-N 1 2 398.236 1.821 20 10 GDCDLO