smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(Br)cc(CN2CCC[N@H+](C3CCOCC3)CC2)c1O ZINC000093513032 551194946 /nfs/dbraw/zinc/19/49/46/551194946.db2.gz LSGOROPVTWHABP-UHFFFAOYSA-N 1 1 399.329 2.850 20 10 GFCDMO COc1cc(Br)cc(C[N@H+]2CCC[C@@H](Cn3ccnn3)C2)c1O ZINC000180798278 552236039 /nfs/dbraw/zinc/23/60/39/552236039.db2.gz VOCADSWNASJQJO-GFCCVEGCSA-N 1 1 381.274 2.667 20 10 GFCDMO Cc1nn(C)c(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)c1Br ZINC000279198441 563287174 /nfs/dbraw/zinc/28/71/74/563287174.db2.gz URPAAESLLGUURB-UHFFFAOYSA-N 1 1 397.292 2.757 20 10 GFCDMO C[C@H]([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)c1ccc(Br)cn1 ZINC000280586930 563344336 /nfs/dbraw/zinc/34/43/36/563344336.db2.gz TZEOLHHYVJXUIU-ZDUSSCGKSA-N 1 1 391.313 2.877 20 10 GFCDMO COc1cc(Br)cc(C[N@H+]2CCC[C@H](c3ccnc(N)n3)C2)c1O ZINC000377724253 563484042 /nfs/dbraw/zinc/48/40/42/563484042.db2.gz PWMBDHXFLQTRPV-NSHDSACASA-N 1 1 393.285 2.745 20 10 GFCDMO COc1cc(Br)cc(C[N@H+]2CC[C@@H](C(=O)N3CCCC3)C2)c1O ZINC000377827708 563487983 /nfs/dbraw/zinc/48/79/83/563487983.db2.gz YZELPPGKPKLFCT-GFCCVEGCSA-N 1 1 383.286 2.608 20 10 GFCDMO C[C@@H]([NH2+][C@H]1CCN(CCN2CCOCC2)C1)c1cc(Cl)c(Cl)cc1O ZINC000365733761 563791637 /nfs/dbraw/zinc/79/16/37/563791637.db2.gz IQKGFKFFBFUVJB-KGLIPLIRSA-N 1 1 388.339 2.756 20 10 GFCDMO CC[C@H](C)[N@@H+](C)CCNC(=O)c1cc(C)n(-c2ccc(-c3nn[nH]n3)cc2)c1C ZINC000736322535 598618460 /nfs/dbraw/zinc/61/84/60/598618460.db2.gz LJMDTCXHASWOGC-AWEZNQCLSA-N 1 1 395.511 2.734 20 10 GFCDMO Oc1ccccc1C[N@@H+](CCOc1ccccc1-c1nn[nH]n1)C[C@@H]1CCCO1 ZINC000738401263 598619262 /nfs/dbraw/zinc/61/92/62/598619262.db2.gz REVLOIQVKASQOF-KRWDZBQOSA-N 1 1 395.463 2.632 20 10 GFCDMO Cn1ccnc1[C@@H](O)[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2O)C1 ZINC000824926091 660405315 /nfs/dbraw/zinc/40/53/15/660405315.db2.gz BJPZRCDLRALJKA-CJNGLKHVSA-N 1 1 380.286 2.834 20 10 GFCDMO OCC[N@@H+](Cc1cc(Br)cs1)Cc1cc2c(cc1O)OCO2 ZINC000756117916 655895242 /nfs/dbraw/zinc/89/52/42/655895242.db2.gz CCDQOCQHDIYOGJ-UHFFFAOYSA-N 1 1 386.267 2.939 20 10 GFCDMO COCC[N@H+](Cc1ccnn1C)Cc1cc(Br)cc(OC)c1O ZINC000787332032 657545406 /nfs/dbraw/zinc/54/54/06/657545406.db2.gz NPZKWKZKQGTVBJ-UHFFFAOYSA-N 1 1 384.274 2.545 20 10 GFCDMO COCC[N@@H+](Cc1ccnn1C)Cc1cc(Br)cc(OC)c1O ZINC000787332032 657545420 /nfs/dbraw/zinc/54/54/20/657545420.db2.gz NPZKWKZKQGTVBJ-UHFFFAOYSA-N 1 1 384.274 2.545 20 10 GFCDMO CCOC(=O)[C@@]1(COC)CCC[N@H+](Cc2cccc(Br)c2O)C1 ZINC000798964796 659158785 /nfs/dbraw/zinc/15/87/85/659158785.db2.gz UUJAQSCOFKDRAH-KRWDZBQOSA-N 1 1 386.286 2.946 20 10 GFCDMO CCOC(=O)[C@@]1(COC)CCC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000798964796 659158787 /nfs/dbraw/zinc/15/87/87/659158787.db2.gz UUJAQSCOFKDRAH-KRWDZBQOSA-N 1 1 386.286 2.946 20 10 GFCDMO O=C(NCc1cc(Br)ccc1O)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000804737097 659677114 /nfs/dbraw/zinc/67/71/14/659677114.db2.gz FEIWAQCTCCQCCN-INIZCTEOSA-N 1 1 390.281 2.831 20 10 GFCDMO O=C(NCc1cc(Br)ccc1O)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000804737097 659677123 /nfs/dbraw/zinc/67/71/23/659677123.db2.gz FEIWAQCTCCQCCN-INIZCTEOSA-N 1 1 390.281 2.831 20 10 GFCDMO O=S(=O)(NCC[NH2+]Cc1cc(Cl)c(F)cc1O)c1ccc(F)cc1F ZINC000816599192 660162194 /nfs/dbraw/zinc/16/21/94/660162194.db2.gz FTNVGTVJOJOWPR-UHFFFAOYSA-N 1 1 394.802 2.531 20 10 GFCDMO COCCN(C)CCC[NH2+][C@@H](C)c1cc(Br)cc(OC)c1O ZINC000848519238 661660723 /nfs/dbraw/zinc/66/07/23/661660723.db2.gz QSYMGTWKPFFVJP-LBPRGKRZSA-N 1 1 375.307 2.782 20 10 GFCDMO C[C@@H]([NH2+]CCNC(=O)c1ccc(Br)cn1)c1ccc(F)cc1O ZINC000850494409 661779105 /nfs/dbraw/zinc/77/91/05/661779105.db2.gz OXBKXMUDHBQLMH-SNVBAGLBSA-N 1 1 382.233 2.769 20 10 GFCDMO Cc1cc(Br)cc(C[N@H+](C)C[C@H](O)COCCOC(C)C)c1O ZINC000179846652 552204959 /nfs/dbraw/zinc/20/49/59/552204959.db2.gz JVTPCWVXLUVPIZ-INIZCTEOSA-N 1 1 390.318 2.697 20 10 GFCDMO Cc1cc(Br)cc(C[N@@H+]([C@H](C)CS(C)(=O)=O)C2CC2)c1O ZINC000180244908 552218897 /nfs/dbraw/zinc/21/88/97/552218897.db2.gz KFIUZDWRROOQKK-LLVKDONJSA-N 1 1 376.316 2.861 20 10 GFCDMO Cc1cc(Br)cc(C[N@H+]([C@H](C)CS(C)(=O)=O)C2CC2)c1O ZINC000180244908 552218900 /nfs/dbraw/zinc/21/89/00/552218900.db2.gz KFIUZDWRROOQKK-LLVKDONJSA-N 1 1 376.316 2.861 20 10 GFCDMO COc1cc(Br)cc(C[N@@H+]2C[C@@H](C)O[C@]3(CCCOC3)C2)c1O ZINC000370712475 563253346 /nfs/dbraw/zinc/25/33/46/563253346.db2.gz VSHXYWITPCARJD-SJKOYZFVSA-N 1 1 386.286 2.933 20 10 GFCDMO COc1cc(Br)cc(C[N@H+]2C[C@@H](C)O[C@]3(CCCOC3)C2)c1O ZINC000370712475 563253347 /nfs/dbraw/zinc/25/33/47/563253347.db2.gz VSHXYWITPCARJD-SJKOYZFVSA-N 1 1 386.286 2.933 20 10 GFCDMO CCCC(=O)N1CCC[N@H+](Cc2cc(Br)cc(OC)c2O)CC1 ZINC000371404811 563277021 /nfs/dbraw/zinc/27/70/21/563277021.db2.gz VHYGHVZMOGPXJN-UHFFFAOYSA-N 1 1 385.302 2.998 20 10 GFCDMO CCCC(=O)N1CCC[N@@H+](Cc2cc(Br)cc(OC)c2O)CC1 ZINC000371404811 563277023 /nfs/dbraw/zinc/27/70/23/563277023.db2.gz VHYGHVZMOGPXJN-UHFFFAOYSA-N 1 1 385.302 2.998 20 10 GFCDMO COc1ccc(N2CCC(Nc3[nH+]c(C)cc(C)c3-c3nn[nH]n3)CC2)cc1 ZINC000737100315 598353056 /nfs/dbraw/zinc/35/30/56/598353056.db2.gz WOLMWEIFJSKTKS-UHFFFAOYSA-N 1 1 379.468 2.968 20 10 GFCDMO CCC[N@@H+](CCC(=O)Nc1sccc1-c1nn[nH]n1)Cc1ccccc1O ZINC000736472070 598524114 /nfs/dbraw/zinc/52/41/14/598524114.db2.gz SUSJHJHCTNLYCT-UHFFFAOYSA-N 1 1 386.481 2.875 20 10 GFCDMO Oc1ccccc1C[N@H+](Cc1ccc(F)cc1-c1nn[nH]n1)C[C@H]1CCCO1 ZINC000738401226 598618802 /nfs/dbraw/zinc/61/88/02/598618802.db2.gz QEMYSGIJYGPLPR-QGZVFWFLSA-N 1 1 383.427 2.893 20 10 GFCDMO COc1cccc(CNc2c(-c3nn[nH]n3)c[nH+]c3c(C)cc(C)cc23)c1O ZINC000826215947 608377726 /nfs/dbraw/zinc/37/77/26/608377726.db2.gz DGDSNIZYDMMWCE-UHFFFAOYSA-N 1 1 376.420 2.780 20 10 GFCDMO Oc1cccc(Cl)c1C[N@H+]1CCCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000826511567 608585365 /nfs/dbraw/zinc/58/53/65/608585365.db2.gz VQBWXHVMQLPZDY-UHFFFAOYSA-N 1 1 384.871 2.938 20 10 GFCDMO NC(=O)N[C@H]1CC[N@H+](Cc2ccc(N3CCCCC3)c(Br)c2)C1 ZINC000838865717 661060233 /nfs/dbraw/zinc/06/02/33/661060233.db2.gz VDNCNBZDGAQSMV-AWEZNQCLSA-N 1 1 381.318 2.682 20 10 GFCDMO NC(=O)N[C@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)c(Br)c2)C1 ZINC000838865717 661060238 /nfs/dbraw/zinc/06/02/38/661060238.db2.gz VDNCNBZDGAQSMV-AWEZNQCLSA-N 1 1 381.318 2.682 20 10 GFCDMO CCC[N@H+](Cc1cc(Br)cc(OC)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000161079939 655125566 /nfs/dbraw/zinc/12/55/66/655125566.db2.gz XRIJURSZLRUDPQ-CYBMUJFWSA-N 1 1 392.315 2.562 20 10 GFCDMO CCC[N@@H+](Cc1cc(Br)cc(OC)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000161079939 655125567 /nfs/dbraw/zinc/12/55/67/655125567.db2.gz XRIJURSZLRUDPQ-CYBMUJFWSA-N 1 1 392.315 2.562 20 10 GFCDMO CC[N@@H+](Cc1cc(Br)ccc1O)[C@H](C)C(=O)NC(=O)NC(C)C ZINC000174425750 655202348 /nfs/dbraw/zinc/20/23/48/655202348.db2.gz WZALLHRZMFMUOD-LLVKDONJSA-N 1 1 386.290 2.599 20 10 GFCDMO C[N@@H+](Cc1cccc(Br)c1[O-])[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000245760024 655428577 /nfs/dbraw/zinc/42/85/77/655428577.db2.gz PNVDNEZOXGOKCO-UONOGXRCSA-N 1 1 376.316 2.942 20 10 GFCDMO COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805138344 659748662 /nfs/dbraw/zinc/74/86/62/659748662.db2.gz RGSHLRNXCORKMD-CYBMUJFWSA-N 1 1 376.284 2.609 20 10 GFCDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805138344 659748664 /nfs/dbraw/zinc/74/86/64/659748664.db2.gz RGSHLRNXCORKMD-CYBMUJFWSA-N 1 1 376.284 2.609 20 10 GFCDMO COc1cc(Br)cc(CNc2c[nH+]ccc2-n2ccnn2)c1O ZINC000808424976 659893842 /nfs/dbraw/zinc/89/38/42/659893842.db2.gz JVCVCOOAHMQQTI-UHFFFAOYSA-N 1 1 376.214 2.751 20 10 GFCDMO [NH3+][C@@H]1CN(Cc2cc(Br)cc(Br)c2O)CC[C@H]1F ZINC000853247766 661886127 /nfs/dbraw/zinc/88/61/27/661886127.db2.gz ABTRWINEWDCBLV-GHMZBOCLSA-N 1 1 382.071 2.788 20 10 GFCDMO COc1ccc(N2CCC[N@H+](C[C@@H](O)c3cc(Br)no3)CC2)cc1 ZINC000877984950 662887588 /nfs/dbraw/zinc/88/75/88/662887588.db2.gz QHKKWWOHIGAHQX-OAHLLOKOSA-N 1 1 396.285 2.691 20 10 GFCDMO COc1ccc(N2CCC[N@@H+](C[C@@H](O)c3cc(Br)no3)CC2)cc1 ZINC000877984950 662887590 /nfs/dbraw/zinc/88/75/90/662887590.db2.gz QHKKWWOHIGAHQX-OAHLLOKOSA-N 1 1 396.285 2.691 20 10 GFCDMO Oc1ccccc1C[N@@H+](C[C@H](O)c1cc(Br)no1)C[C@H]1CCCO1 ZINC000878240976 662892192 /nfs/dbraw/zinc/89/21/92/662892192.db2.gz OPCKBVKRZJJNEJ-HIFRSBDPSA-N 1 1 397.269 2.857 20 10 GFCDMO O=S1(=O)C[C@H]2C[N@@H+](Cc3c(O)ccc4cc(Br)ccc43)C[C@H]2C1 ZINC000902615704 663764515 /nfs/dbraw/zinc/76/45/15/663764515.db2.gz SBMWXYIPNBZGAZ-BETUJISGSA-N 1 1 396.306 2.784 20 10 GFCDMO CC[C@H](c1ccccc1O)[N@H+]1C[C@@H](C(F)(F)F)[C@H](S(=O)(=O)N(C)C)C1 ZINC000377711154 563483846 /nfs/dbraw/zinc/48/38/46/563483846.db2.gz YUWCKENORRRJHH-UMVBOHGHSA-N 1 1 380.432 2.597 20 10 GFCDMO Oc1ccccc1C[N@H+](Cc1cccc(-c2nn[nH]n2)c1F)C[C@H]1CCCO1 ZINC000826511610 608407491 /nfs/dbraw/zinc/40/74/91/608407491.db2.gz XMXHAJZAJKZGFF-MRXNPFEDSA-N 1 1 383.427 2.893 20 10 GFCDMO COC(=O)[C@@H]1C[N@H+](Cc2c(O)ccc3cc(Br)ccc32)CCO1 ZINC000103134733 655067036 /nfs/dbraw/zinc/06/70/36/655067036.db2.gz QMVDVYUYUSBUGQ-INIZCTEOSA-N 1 1 380.238 2.682 20 10 GFCDMO COC(=O)[C@@H]1C[N@@H+](Cc2c(O)ccc3cc(Br)ccc32)CCO1 ZINC000103134733 655067039 /nfs/dbraw/zinc/06/70/39/655067039.db2.gz QMVDVYUYUSBUGQ-INIZCTEOSA-N 1 1 380.238 2.682 20 10 GFCDMO CC[N@@H+](CC(=O)NC(=O)NC1CCCC1)Cc1cc(Br)ccc1O ZINC000173992772 655188512 /nfs/dbraw/zinc/18/85/12/655188512.db2.gz RGAGDCJUPUKDGE-UHFFFAOYSA-N 1 1 398.301 2.745 20 10 GFCDMO Cn1cc(C[NH2+]Cc2c(O)cccc2Br)c(Br)n1 ZINC000720655909 655524629 /nfs/dbraw/zinc/52/46/29/655524629.db2.gz HIFOLHMKTAJQNS-UHFFFAOYSA-N 1 1 375.064 2.941 20 10 GFCDMO CCN(Cc1cc(Br)ccc1O)C(=O)NCCn1cc[nH+]c1C ZINC000745793144 655755102 /nfs/dbraw/zinc/75/51/02/655755102.db2.gz RIBAETAIFWYASR-UHFFFAOYSA-N 1 1 381.274 2.891 20 10 GFCDMO Cc1nc([C@@H](C)[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)c(C)s1 ZINC000750825624 655817707 /nfs/dbraw/zinc/81/77/07/655817707.db2.gz OKSGMUBREALOSC-CYBMUJFWSA-N 1 1 379.551 2.846 20 10 GFCDMO C[C@H]([NH2+]C[C@@H]1COC2(CCOCC2)O1)c1cc(Br)c(F)cc1O ZINC000756863650 655906305 /nfs/dbraw/zinc/90/63/05/655906305.db2.gz JIOXHNUQXQWWBU-WDEREUQCSA-N 1 1 390.249 2.867 20 10 GFCDMO C[C@@H]([NH2+]C[C@@H]1CCCCS1(=O)=O)c1cc(Br)c(F)cc1O ZINC000757657978 655914854 /nfs/dbraw/zinc/91/48/54/655914854.db2.gz UWRUGVROLPMEHO-ZJUUUORDSA-N 1 1 380.279 2.912 20 10 GFCDMO Cc1cc(Br)c(O)c(C[NH2+]CC2(CS(C)(=O)=O)CCC2)c1 ZINC000840974412 661222875 /nfs/dbraw/zinc/22/28/75/661222875.db2.gz AEFJVIUEIRKRME-UHFFFAOYSA-N 1 1 376.316 2.768 20 10 GFCDMO Oc1c(Br)cc(Br)cc1CN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000775748398 656678703 /nfs/dbraw/zinc/67/87/03/656678703.db2.gz YDOREODZVCRZKS-UWVGGRQHSA-N 1 1 376.092 2.568 20 10 GFCDMO C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cc(Br)c(F)cc1[O-] ZINC000799725079 659217260 /nfs/dbraw/zinc/21/72/60/659217260.db2.gz CVJURAWJSUSAMB-GFCCVEGCSA-N 1 1 388.325 2.970 20 10 GFCDMO O=S(=O)(CCCCF)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000805010828 659714094 /nfs/dbraw/zinc/71/40/94/659714094.db2.gz MZOSJEVRMLAQLS-HNNXBMFYSA-N 1 1 378.897 2.679 20 10 GFCDMO O=S(=O)(CCCCF)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000805010828 659714105 /nfs/dbraw/zinc/71/41/05/659714105.db2.gz MZOSJEVRMLAQLS-HNNXBMFYSA-N 1 1 378.897 2.679 20 10 GFCDMO O=C(NCc1cc(Br)ccc1O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000805364458 659769179 /nfs/dbraw/zinc/76/91/79/659769179.db2.gz MCFFMDLXXCXTMX-HNNXBMFYSA-N 1 1 382.302 2.971 20 10 GFCDMO Cc1cc(Br)cc(CN2CC[NH+](CCc3cnccn3)CC2)c1O ZINC000877703373 662882213 /nfs/dbraw/zinc/88/22/13/662882213.db2.gz FHAZNSDEYITWFD-UHFFFAOYSA-N 1 1 391.313 2.613 20 10 GFCDMO C[C@@H]([NH2+][C@H]1Cc2cc(Br)cnc2NC1=O)c1ccc(F)cc1O ZINC000903325693 663781893 /nfs/dbraw/zinc/78/18/93/663781893.db2.gz MDXVBBARROTGFJ-OQPBUACISA-N 1 1 380.217 2.903 20 10 GFCDMO CC[C@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cc(Br)ccc1[O-] ZINC000925857759 664676381 /nfs/dbraw/zinc/67/63/81/664676381.db2.gz QTOMRPFNLMAYRT-ZFWWWQNUSA-N 1 1 397.313 2.881 20 10 GFCDMO C[C@H]([NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1ccc(F)cc1O ZINC000185431194 552363158 /nfs/dbraw/zinc/36/31/58/552363158.db2.gz FKLPQPZOKIUTEJ-JTQLQIEISA-N 1 1 384.395 2.744 20 10 GFCDMO C[N@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)CC1 ZINC000737516399 600426569 /nfs/dbraw/zinc/42/65/69/600426569.db2.gz AKVFWFICCYQLDW-GOSISDBHSA-N 1 1 397.519 2.846 20 10 GFCDMO Oc1ccccc1C[N@H+](Cc1cc(F)ccc1-c1nn[nH]n1)C[C@@H]1CCCO1 ZINC000823733085 607067372 /nfs/dbraw/zinc/06/73/72/607067372.db2.gz SZPIORAJDQMFID-KRWDZBQOSA-N 1 1 383.427 2.893 20 10 GFCDMO Oc1ccc(Cl)cc1C[N@H+]1CCC[C@@H](Nc2cccc(-c3nn[nH]n3)n2)C1 ZINC000826511080 607899602 /nfs/dbraw/zinc/89/96/02/607899602.db2.gz BEYHFHSUKBVQMG-CQSZACIVSA-N 1 1 385.859 2.697 20 10 GFCDMO C[C@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc(Br)ccc1[O-] ZINC000817971609 660212785 /nfs/dbraw/zinc/21/27/85/660212785.db2.gz FWBPTLFMARJNTB-HZMBPMFUSA-N 1 1 396.251 2.641 20 10 GFCDMO CN(Cc1cccs1)c1ccc(C[N@H+]2CC[C@@H](NS(C)(=O)=O)C2)cc1 ZINC000823459125 660372797 /nfs/dbraw/zinc/37/27/97/660372797.db2.gz PNQHZZQOVKPWAH-MRXNPFEDSA-N 1 1 379.551 2.508 20 10 GFCDMO COc1c(O)c(C[NH2+]C[C@H](O)c2ccccc2Br)ccc1[N+](=O)[O-] ZINC000825344087 660421908 /nfs/dbraw/zinc/42/19/08/660421908.db2.gz UGXUENPMDHCYCN-AWEZNQCLSA-N 1 1 397.225 2.895 20 10 GFCDMO CC[N@H+](Cc1cc(Br)ccc1O)C[C@@H](O)COC1CCOCC1 ZINC000122604310 654740424 /nfs/dbraw/zinc/74/04/24/654740424.db2.gz YYTSGJZYIDKMAJ-OAHLLOKOSA-N 1 1 388.302 2.533 20 10 GFCDMO COc1cccc(C[N@H+](C)[C@@H](C(N)=O)c2cccc(Br)c2)c1O ZINC000136964114 655037130 /nfs/dbraw/zinc/03/71/30/655037130.db2.gz IASYQPSPNRNGIW-OAHLLOKOSA-N 1 1 379.254 2.822 20 10 GFCDMO COc1cccc(C[N@@H+](C)[C@@H](C(N)=O)c2cccc(Br)c2)c1O ZINC000136964114 655037133 /nfs/dbraw/zinc/03/71/33/655037133.db2.gz IASYQPSPNRNGIW-OAHLLOKOSA-N 1 1 379.254 2.822 20 10 GFCDMO CC[N@@H+](CC(=O)N(C)CC(F)(F)F)Cc1cc(Br)ccc1O ZINC000173992896 655188676 /nfs/dbraw/zinc/18/86/76/655188676.db2.gz XOSROKYAAJTKAS-UHFFFAOYSA-N 1 1 383.208 2.997 20 10 GFCDMO COc1cc(Br)cc(C[N@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)c1O ZINC000179340897 655312993 /nfs/dbraw/zinc/31/29/93/655312993.db2.gz QGQMEEXCXGJJNT-CYBMUJFWSA-N 1 1 397.313 2.902 20 10 GFCDMO COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2cccc(Br)c2O)C1 ZINC000769008474 656263227 /nfs/dbraw/zinc/26/32/27/656263227.db2.gz YPGLMQJTQLEKNQ-JSGCOSHPSA-N 1 1 385.302 2.518 20 10 GFCDMO COCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000769008474 656263233 /nfs/dbraw/zinc/26/32/33/656263233.db2.gz YPGLMQJTQLEKNQ-JSGCOSHPSA-N 1 1 385.302 2.518 20 10 GFCDMO Oc1c(Br)cc(Br)cc1CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000775748396 656678735 /nfs/dbraw/zinc/67/87/35/656678735.db2.gz YDOREODZVCRZKS-AOOOYVTPSA-N 1 1 376.092 2.568 20 10 GFCDMO CCC[N@H+](Cc1cc(C)cc(Br)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000781893958 657086915 /nfs/dbraw/zinc/08/69/15/657086915.db2.gz AOXYSFGMWMKCKP-CYBMUJFWSA-N 1 1 376.316 2.862 20 10 GFCDMO CCC[N@@H+](Cc1cc(C)cc(Br)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000781893958 657086922 /nfs/dbraw/zinc/08/69/22/657086922.db2.gz AOXYSFGMWMKCKP-CYBMUJFWSA-N 1 1 376.316 2.862 20 10 GFCDMO C[NH+](C)C1(CNC(=O)NCc2cc(Cl)cc(Cl)c2O)CCOCC1 ZINC000805139376 659749100 /nfs/dbraw/zinc/74/91/00/659749100.db2.gz RUWLGGNRVVPXKV-UHFFFAOYSA-N 1 1 376.284 2.609 20 10 GFCDMO O=C(Cn1cc(Cl)cn1)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000807108523 659848452 /nfs/dbraw/zinc/84/84/52/659848452.db2.gz XPYBFGKMWWUYTI-OAHLLOKOSA-N 1 1 383.279 2.676 20 10 GFCDMO COCCS(=O)(=O)c1ccc(C[NH2+]Cc2cc(Cl)c(F)cc2O)cc1 ZINC000816591634 660161921 /nfs/dbraw/zinc/16/19/21/660161921.db2.gz JSEKNDNHELZXQR-UHFFFAOYSA-N 1 1 387.860 2.895 20 10 GFCDMO CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000843432941 661381340 /nfs/dbraw/zinc/38/13/40/661381340.db2.gz RRIAJLVCPKGVPK-ZDUSSCGKSA-N 1 1 381.192 2.655 20 10 GFCDMO O=C(NCc1cccc(Br)c1O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000847446196 661592794 /nfs/dbraw/zinc/59/27/94/661592794.db2.gz LWLVBMMNKDNBEP-HUUCEWRRSA-N 1 1 382.302 2.971 20 10 GFCDMO O=S1(=O)Cc2ccccc2[C@@H]([NH2+]Cc2ccc(Br)cc2O)C1 ZINC000857058380 662061914 /nfs/dbraw/zinc/06/19/14/662061914.db2.gz NQBZWKBHIKEUCZ-HNNXBMFYSA-N 1 1 382.279 2.914 20 10 GFCDMO CN(C)c1ccc(C[NH2+]Cc2c(I)cnn2C)cc1F ZINC000865867916 662448351 /nfs/dbraw/zinc/44/83/51/662448351.db2.gz IGMVEAXDOBVMNP-UHFFFAOYSA-N 1 1 388.228 2.520 20 10 GFCDMO CC[N@@H+](Cc1cc(Br)ccc1[O-])C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903897355 663810670 /nfs/dbraw/zinc/81/06/70/663810670.db2.gz HTGMZTLHPRVFCB-CQSZACIVSA-N 1 1 395.345 2.836 20 10 GFCDMO CC[N@H+](Cc1cc(Br)ccc1[O-])C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903897355 663810672 /nfs/dbraw/zinc/81/06/72/663810672.db2.gz HTGMZTLHPRVFCB-CQSZACIVSA-N 1 1 395.345 2.836 20 10 GFCDMO C[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc(Br)ccc1[O-] ZINC000368328022 563868463 /nfs/dbraw/zinc/86/84/63/563868463.db2.gz NQFNVQSGNCKRJD-HIFRSBDPSA-N 1 1 382.346 2.974 20 10 GFCDMO Oc1ccccc1C[N@@H+](CCOc1cccc(-c2nn[nH]n2)c1)C[C@H]1CCCO1 ZINC000738400830 598619242 /nfs/dbraw/zinc/61/92/42/598619242.db2.gz LFWSOFYOXLTKNF-LJQANCHMSA-N 1 1 395.463 2.632 20 10 GFCDMO Cn1nc(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)cc1Cl ZINC000827095717 660478708 /nfs/dbraw/zinc/47/87/08/660478708.db2.gz LGLHZNAHLKOLFA-CYBMUJFWSA-N 1 1 383.279 2.827 20 10 GFCDMO Cn1nc(C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)cc1Cl ZINC000827095717 660478710 /nfs/dbraw/zinc/47/87/10/660478710.db2.gz LGLHZNAHLKOLFA-CYBMUJFWSA-N 1 1 383.279 2.827 20 10 GFCDMO O=C(NCCCSc1nccs1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000154583564 655076871 /nfs/dbraw/zinc/07/68/71/655076871.db2.gz FSJSBHIIFBKXHX-HNNXBMFYSA-N 1 1 384.571 2.522 20 10 GFCDMO Cn1ccnc1[C@H](O)[C@@H]1CCC[N@H+](Cc2cccc(Br)c2O)C1 ZINC000180652570 655329089 /nfs/dbraw/zinc/32/90/89/655329089.db2.gz ZLALTFWNNASGDO-CZUORRHYSA-N 1 1 380.286 2.834 20 10 GFCDMO Cn1ccnc1[C@H](O)[C@@H]1CCC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000180652570 655329090 /nfs/dbraw/zinc/32/90/90/655329090.db2.gz ZLALTFWNNASGDO-CZUORRHYSA-N 1 1 380.286 2.834 20 10 GFCDMO O=C(NCCCSc1nccs1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741220930 655703813 /nfs/dbraw/zinc/70/38/13/655703813.db2.gz VMXPEDWZAFUQOQ-MRXNPFEDSA-N 1 1 377.535 2.643 20 10 GFCDMO O=C(NCCCSc1nccs1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741220930 655703816 /nfs/dbraw/zinc/70/38/16/655703816.db2.gz VMXPEDWZAFUQOQ-MRXNPFEDSA-N 1 1 377.535 2.643 20 10 GFCDMO CC[C@@H]([NH2+][C@@H](C)c1cc(Br)c(F)cc1O)C(=O)N1CCOCC1 ZINC000756649243 655903632 /nfs/dbraw/zinc/90/36/32/655903632.db2.gz MUVZRBPUNWRWLE-IINYFYTJSA-N 1 1 389.265 2.582 20 10 GFCDMO COc1cc(Br)cc(C[N@@H+](C)C(C)(C)CN2CCOCC2)c1O ZINC000840978423 661223893 /nfs/dbraw/zinc/22/38/93/661223893.db2.gz RHMNCIHBLIHBLD-UHFFFAOYSA-N 1 1 387.318 2.706 20 10 GFCDMO Cc1cc(Br)cc([C@H](C)[NH2+]CCCN2CCC[C@H](C(N)=O)C2)c1O ZINC000779022613 656897817 /nfs/dbraw/zinc/89/78/17/656897817.db2.gz VOGAMIAQCLDBSI-KBPBESRZSA-N 1 1 398.345 2.701 20 10 GFCDMO COc1cc(Br)cc(C[N@@H+](C)CCN2CCOC(C)(C)C2)c1O ZINC000789765766 657888912 /nfs/dbraw/zinc/88/89/12/657888912.db2.gz RLVIOAOOOMARJI-UHFFFAOYSA-N 1 1 387.318 2.706 20 10 GFCDMO O=S(=O)(NCC[NH2+]Cc1c(O)ccc(Cl)c1F)c1cccc(Cl)c1 ZINC000790958493 658049485 /nfs/dbraw/zinc/04/94/85/658049485.db2.gz QNEAHOGAJYKTLC-UHFFFAOYSA-N 1 1 393.267 2.906 20 10 GFCDMO O=S(=O)(CC[NH2+]Cc1cccc(Br)c1O)CCc1ccccc1 ZINC000800312112 659300339 /nfs/dbraw/zinc/30/03/39/659300339.db2.gz YTWIAYDQIPZWBM-UHFFFAOYSA-N 1 1 398.322 2.902 20 10 GFCDMO O=C(NCc1c[nH+]c2n1CCCC2)NCc1cc(Br)ccc1O ZINC000805478119 659784793 /nfs/dbraw/zinc/78/47/93/659784793.db2.gz RFZZSYPXHUYJHE-UHFFFAOYSA-N 1 1 379.258 2.687 20 10 GFCDMO CSCc1cnc(C[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)s1 ZINC000815125843 660113838 /nfs/dbraw/zinc/11/38/38/660113838.db2.gz AXHHWSXBXQMCNC-UHFFFAOYSA-N 1 1 397.591 2.531 20 10 GFCDMO CC[N@@H+](CCc1nnn(C(C)(C)C)n1)Cc1cc(Br)ccc1O ZINC000851792697 661832369 /nfs/dbraw/zinc/83/23/69/661832369.db2.gz OCKNMSCMAWEYQI-UHFFFAOYSA-N 1 1 382.306 2.961 20 10 GFCDMO Cn1cc([C@H](O)C[C@@H]2CCC[N@H+]2Cc2c(O)cccc2Br)cn1 ZINC000862251912 662277971 /nfs/dbraw/zinc/27/79/71/662277971.db2.gz ACRKVCHOXVVPMQ-SUMWQHHRSA-N 1 1 380.286 2.976 20 10 GFCDMO Fc1cc(C[NH2+]Cc2cnc(Br)cn2)ccc1N1CCOCC1 ZINC000895409086 663512758 /nfs/dbraw/zinc/51/27/58/663512758.db2.gz TXZPZWXSJGRKMD-UHFFFAOYSA-N 1 1 381.249 2.505 20 10 GFCDMO Cc1cc(Br)c(O)c(C[NH2+]C[C@]2(c3cnn(C)c3)CCCO2)c1 ZINC000898056761 663631569 /nfs/dbraw/zinc/63/15/69/663631569.db2.gz NOQYXNZUFJQPIK-KRWDZBQOSA-N 1 1 380.286 2.992 20 10 GFCDMO COc1cc(Br)cc(C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)c1O ZINC000365557188 563786745 /nfs/dbraw/zinc/78/67/45/563786745.db2.gz QXEGJDPSOPXXIT-JKDFXYPNSA-N 1 1 386.286 2.932 20 10 GFCDMO C[C@H]([NH2+][C@H]1CCN(CCN2CCOCC2)C1)c1cc(Cl)c(Cl)cc1O ZINC000365733760 563791696 /nfs/dbraw/zinc/79/16/96/563791696.db2.gz IQKGFKFFBFUVJB-KBPBESRZSA-N 1 1 388.339 2.756 20 10 GFCDMO FC(F)Oc1ccc(N2CCC([NH2+]Cc3ccc(-c4nn[nH]n4)o3)CC2)cc1 ZINC000822732589 599426656 /nfs/dbraw/zinc/42/66/56/599426656.db2.gz LJUZKZBXLLKLCM-UHFFFAOYSA-N 1 1 390.394 2.820 20 10 GFCDMO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820122089 606855342 /nfs/dbraw/zinc/85/53/42/606855342.db2.gz ZORGTDVQWQHUBW-HXUWFJFHSA-N 1 1 380.496 2.877 20 10 GFCDMO C[C@H]([NH2+]CCS(=O)(=O)C1CCOCC1)c1cc(Cl)c(Cl)cc1O ZINC000834890326 660837144 /nfs/dbraw/zinc/83/71/44/660837144.db2.gz LYCMDMVIMDJUHH-JTQLQIEISA-N 1 1 382.309 2.943 20 10 GFCDMO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1cncc(Cl)n1 ZINC000760858644 655993802 /nfs/dbraw/zinc/99/38/02/655993802.db2.gz IWCABDOIIRWMTB-ZDUSSCGKSA-N 1 1 381.263 2.883 20 10 GFCDMO O=C(N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)c1cncc(Cl)n1 ZINC000760858644 655993804 /nfs/dbraw/zinc/99/38/04/655993804.db2.gz IWCABDOIIRWMTB-ZDUSSCGKSA-N 1 1 381.263 2.883 20 10 GFCDMO COc1cc(Br)cc(C[NH+]2CC(CO)(c3ccccc3)C2)c1O ZINC000840969554 661222318 /nfs/dbraw/zinc/22/23/18/661222318.db2.gz IMZSNUORFGWRMS-UHFFFAOYSA-N 1 1 378.266 2.909 20 10 GFCDMO COCCO[C@@H]1COCC[C@@H]1[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000776866305 656798448 /nfs/dbraw/zinc/79/84/48/656798448.db2.gz CWYKTLADTSKVIZ-FUEDEBDSSA-N 1 1 392.265 2.765 20 10 GFCDMO C[C@H]([NH2+][C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1cc(Cl)c(Cl)cc1O ZINC000806170859 659826822 /nfs/dbraw/zinc/82/68/22/659826822.db2.gz IOBBPJPSXUHKJH-WDEREUQCSA-N 1 1 396.340 2.620 20 10 GFCDMO CNC(=O)[C@H](CCSC)[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000806664096 659839363 /nfs/dbraw/zinc/83/93/63/659839363.db2.gz ZRKQSWAXVJUHLS-PELKAZGASA-N 1 1 379.295 2.812 20 10 GFCDMO C[NH+](C)C1CCN(CCNC(=O)NCc2cc(Cl)cc(Cl)c2O)CC1 ZINC000807028883 659846431 /nfs/dbraw/zinc/84/64/31/659846431.db2.gz AJQGTQBNVVDFBR-UHFFFAOYSA-N 1 1 389.327 2.524 20 10 GFCDMO CCS(=O)(=O)N1CCC([NH2+][C@@H](C)c2cccc(C(F)(F)F)c2O)CC1 ZINC000815558245 660125809 /nfs/dbraw/zinc/12/58/09/660125809.db2.gz WPZCNVLYXQHASF-NSHDSACASA-N 1 1 380.432 2.876 20 10 GFCDMO C[C@H]([NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)c1cccc(C(F)(F)F)c1O ZINC000815625601 660126804 /nfs/dbraw/zinc/12/68/04/660126804.db2.gz HXACEDMWOVKKPJ-RYUDHWBXSA-N 1 1 380.432 2.876 20 10 GFCDMO COc1cc(Br)cc([C@@H](C)[NH2+][C@@H](C)c2nnnn2C2CC2)c1O ZINC000848546845 661663063 /nfs/dbraw/zinc/66/30/63/661663063.db2.gz HQCVRVWNEJAXOU-BDAKNGLRSA-N 1 1 382.262 2.897 20 10 GFCDMO Oc1ccccc1C[N@@H+](C[C@@H](O)c1cc(Br)no1)C[C@H]1CCCO1 ZINC000878240977 662892245 /nfs/dbraw/zinc/89/22/45/662892245.db2.gz OPCKBVKRZJJNEJ-UKRRQHHQSA-N 1 1 397.269 2.857 20 10 GFCDMO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cc(Br)ccc1[O-])C2 ZINC000922389377 664598425 /nfs/dbraw/zinc/59/84/25/664598425.db2.gz UBOTWWDXUIQNEE-VDHUWJSZSA-N 1 1 383.330 2.724 20 10 GFCDMO CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cc(Br)ccc1[O-])C2 ZINC000922389377 664598428 /nfs/dbraw/zinc/59/84/28/664598428.db2.gz UBOTWWDXUIQNEE-VDHUWJSZSA-N 1 1 383.330 2.724 20 10 GFCDMO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cc(Br)ccc1[O-])C2 ZINC000922389369 664598457 /nfs/dbraw/zinc/59/84/57/664598457.db2.gz UBOTWWDXUIQNEE-BGTYHANMSA-N 1 1 383.330 2.724 20 10 GFCDMO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cc(Br)ccc1[O-])C2 ZINC000922389369 664598461 /nfs/dbraw/zinc/59/84/61/664598461.db2.gz UBOTWWDXUIQNEE-BGTYHANMSA-N 1 1 383.330 2.724 20 10 GFCDMO Oc1ccccc1C[N@@H+](CCOc1ccccc1-c1nn[nH]n1)C[C@H]1CCCO1 ZINC000738401264 598619219 /nfs/dbraw/zinc/61/92/19/598619219.db2.gz REVLOIQVKASQOF-QGZVFWFLSA-N 1 1 395.463 2.632 20 10 GFCDMO COc1cc(Br)cc(C[N@@H+](CCN2CCOCC2)CC2CC2)c1O ZINC000827515690 660500095 /nfs/dbraw/zinc/50/00/95/660500095.db2.gz NSBOQEDABDWPPN-UHFFFAOYSA-N 1 1 399.329 2.708 20 10 GFCDMO COc1cc(Br)cc(C[N@H+]2CC[C@@H](Cc3cnn(C)c3)C2)c1O ZINC000093869985 655021387 /nfs/dbraw/zinc/02/13/87/655021387.db2.gz HBMOAXNHAJIUEL-LBPRGKRZSA-N 1 1 380.286 2.961 20 10 GFCDMO O=C(NCCCSc1nccs1)NCC[N@H+]1CCc2ccccc2C1 ZINC000152153576 655056734 /nfs/dbraw/zinc/05/67/34/655056734.db2.gz LDCXBCIBTLCXDJ-UHFFFAOYSA-N 1 1 376.551 2.983 20 10 GFCDMO Oc1cccc(Br)c1CNC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000706812891 655522222 /nfs/dbraw/zinc/52/22/22/655522222.db2.gz GUXTXNNYLODHSM-IBGZPJMESA-N 1 1 391.309 2.881 20 10 GFCDMO CN(C)c1ccc([C@H](N)C[NH2+]Cc2cnc3ccc(Br)cn23)cc1 ZINC000841042991 661229635 /nfs/dbraw/zinc/22/96/35/661229635.db2.gz NOOKYRVJLHBECC-QGZVFWFLSA-N 1 1 388.313 2.952 20 10 GFCDMO Cc1cc(Br)c(O)c(C[N@@H+](C)C[C@@H](O)COCCOC(C)C)c1 ZINC000781897053 657086593 /nfs/dbraw/zinc/08/65/93/657086593.db2.gz BYOOWWSBOZFUJJ-OAHLLOKOSA-N 1 1 390.318 2.697 20 10 GFCDMO Cc1cc(Br)c(O)c(C[N@H+](C)C[C@@H](O)COCCOC(C)C)c1 ZINC000781897053 657086601 /nfs/dbraw/zinc/08/66/01/657086601.db2.gz BYOOWWSBOZFUJJ-OAHLLOKOSA-N 1 1 390.318 2.697 20 10 GFCDMO COc1cc(Br)cc([C@@H](C)[NH2+][C@H](C)c2nnnn2C2CC2)c1O ZINC000848546848 661663028 /nfs/dbraw/zinc/66/30/28/661663028.db2.gz HQCVRVWNEJAXOU-RKDXNWHRSA-N 1 1 382.262 2.897 20 10 GFCDMO [NH3+]C[C@H](NCc1cc(Br)cc(Br)c1O)C(F)(F)F ZINC000848714335 661677833 /nfs/dbraw/zinc/67/78/33/661677833.db2.gz NWEVHBREQDVAFU-QMMMGPOBSA-N 1 1 392.013 2.896 20 10 GFCDMO CC(C)c1cnc(C[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)s1 ZINC000850356532 661771751 /nfs/dbraw/zinc/77/17/51/661771751.db2.gz TXVKNMXAPAIEBH-UHFFFAOYSA-N 1 1 379.551 2.791 20 10 GFCDMO COc1ccc(CNC(=O)c2sc3c(c2Br)C[NH2+]C3)c(O)c1 ZINC000852826803 661875448 /nfs/dbraw/zinc/87/54/48/661875448.db2.gz YZGIFPZGDVDSGP-UHFFFAOYSA-N 1 1 383.267 2.758 20 10 GFCDMO Cn1ncc(I)c1C[NH2+]Cc1c(O)cccc1Cl ZINC000865868218 662448403 /nfs/dbraw/zinc/44/84/03/662448403.db2.gz LLDWYDXMBKKVGK-UHFFFAOYSA-N 1 1 377.613 2.674 20 10 GFCDMO CN(c1cccc(C[NH2+]Cc2cccc(Br)c2O)c1)S(C)(=O)=O ZINC000898287151 663642325 /nfs/dbraw/zinc/64/23/25/663642325.db2.gz SFBDQTYSXBZSNP-UHFFFAOYSA-N 1 1 399.310 2.840 20 10 GFCDMO Cc1cc(Br)c(O)c(C[NH2+]Cc2cn(C(C)(C)C)c(=O)[nH]c2=O)c1 ZINC000922496150 664604140 /nfs/dbraw/zinc/60/41/40/664604140.db2.gz FSPPIWIUYFIEHJ-UHFFFAOYSA-N 1 1 396.285 2.770 20 10 GFCDMO CC[C@@H]1C[N@H+](Cc2cc(Br)cc(OC)c2O)C[C@@]2(CCOC2)O1 ZINC000373481947 563339535 /nfs/dbraw/zinc/33/95/35/563339535.db2.gz RCVINIQKZGSOQE-RHSMWYFYSA-N 1 1 386.286 2.933 20 10 GFCDMO CC[C@@H]1C[N@@H+](Cc2cc(Br)cc(OC)c2O)C[C@@]2(CCOC2)O1 ZINC000373481947 563339537 /nfs/dbraw/zinc/33/95/37/563339537.db2.gz RCVINIQKZGSOQE-RHSMWYFYSA-N 1 1 386.286 2.933 20 10 GFCDMO C[C@@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(Br)cc1[O-] ZINC000817971304 660212732 /nfs/dbraw/zinc/21/27/32/660212732.db2.gz CDMBPRUKEWHATK-QMTHXVAHSA-N 1 1 396.251 2.641 20 10 GFCDMO CN(C)S(=O)(=O)c1cccc(C[NH2+]Cc2cccc(Br)c2O)c1 ZINC000824739494 660400400 /nfs/dbraw/zinc/40/04/00/660400400.db2.gz YZNQEOHNIBRNQY-UHFFFAOYSA-N 1 1 399.310 2.695 20 10 GFCDMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)NCCCSc1nccs1 ZINC000130871884 654892595 /nfs/dbraw/zinc/89/25/95/654892595.db2.gz UQFRFJXQMBUHCE-UHFFFAOYSA-N 1 1 386.587 2.625 20 10 GFCDMO O=C(CSc1nncs1)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134262396 654988704 /nfs/dbraw/zinc/98/87/04/654988704.db2.gz NUWMGFAQEBRPNR-CYBMUJFWSA-N 1 1 398.941 2.770 20 10 GFCDMO O=C(CSc1nncs1)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134262396 654988706 /nfs/dbraw/zinc/98/87/06/654988706.db2.gz NUWMGFAQEBRPNR-CYBMUJFWSA-N 1 1 398.941 2.770 20 10 GFCDMO Cn1ccnc1[C@H](O)C1CC[NH+](Cc2cccc(Br)c2O)CC1 ZINC000093454807 655019985 /nfs/dbraw/zinc/01/99/85/655019985.db2.gz WTPBKBUOUWKLCJ-MRXNPFEDSA-N 1 1 380.286 2.834 20 10 GFCDMO NC(=O)c1cc(C[NH2+]Cc2ccc(N3CCCCC3)c(Br)c2)on1 ZINC000839011099 661067788 /nfs/dbraw/zinc/06/77/88/661067788.db2.gz DOSANOOLCSDJOH-UHFFFAOYSA-N 1 1 393.285 2.816 20 10 GFCDMO CC[N@@H+](Cc1cc(Br)ccc1O)[C@@H](C)C(=O)NC(=O)NC(C)C ZINC000174425736 655202251 /nfs/dbraw/zinc/20/22/51/655202251.db2.gz WZALLHRZMFMUOD-NSHDSACASA-N 1 1 386.290 2.599 20 10 GFCDMO C[NH+](C)[C@@H](CNC(=O)NCc1cccc(Br)c1O)c1ccco1 ZINC000765447270 656143281 /nfs/dbraw/zinc/14/32/81/656143281.db2.gz UDBXPLLZWNTMGK-ZDUSSCGKSA-N 1 1 382.258 2.850 20 10 GFCDMO COc1cc(Br)cc(C[N@H+]2CCC[C@H](c3nnc(C)[nH]3)C2)c1O ZINC000770346947 656317106 /nfs/dbraw/zinc/31/71/06/656317106.db2.gz CSYUDBIHYKQLCP-NSHDSACASA-N 1 1 381.274 2.969 20 10 GFCDMO COc1cc(Br)cc(C[N@@H+]2CCC[C@H](c3nc(C)n[nH]3)C2)c1O ZINC000770346947 656317108 /nfs/dbraw/zinc/31/71/08/656317108.db2.gz CSYUDBIHYKQLCP-NSHDSACASA-N 1 1 381.274 2.969 20 10 GFCDMO COc1cc(Br)cc(C[N@H+]2CCC[C@H](c3nc(C)n[nH]3)C2)c1O ZINC000770346947 656317110 /nfs/dbraw/zinc/31/71/10/656317110.db2.gz CSYUDBIHYKQLCP-NSHDSACASA-N 1 1 381.274 2.969 20 10 GFCDMO COc1cc(Br)cc(C[N@@H+]2CCC[C@H](c3n[nH]c(C)n3)C2)c1O ZINC000770346947 656317113 /nfs/dbraw/zinc/31/71/13/656317113.db2.gz CSYUDBIHYKQLCP-NSHDSACASA-N 1 1 381.274 2.969 20 10 GFCDMO COc1cc(Br)cc(C[N@H+]2CCC[C@H](c3n[nH]c(C)n3)C2)c1O ZINC000770346947 656317115 /nfs/dbraw/zinc/31/71/15/656317115.db2.gz CSYUDBIHYKQLCP-NSHDSACASA-N 1 1 381.274 2.969 20 10 GFCDMO O=C(NCC(F)(F)F)[C@@H]1CC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000779195196 656904834 /nfs/dbraw/zinc/90/48/34/656904834.db2.gz APOVKTXCHZFDOR-SNVBAGLBSA-N 1 1 381.192 2.655 20 10 GFCDMO O=C(NCC(F)(F)F)[C@@H]1CC[N@H+](Cc2cccc(Br)c2O)C1 ZINC000779195196 656904841 /nfs/dbraw/zinc/90/48/41/656904841.db2.gz APOVKTXCHZFDOR-SNVBAGLBSA-N 1 1 381.192 2.655 20 10 GFCDMO COc1cc(Br)cc(C[N@H+]2CCC[C@@H](CCNC(C)=O)C2)c1O ZINC000809778802 659938969 /nfs/dbraw/zinc/93/89/69/659938969.db2.gz WGWAFWAIUSOHJC-ZDUSSCGKSA-N 1 1 385.302 2.902 20 10 GFCDMO Cc1cc(Br)c(O)c(C[NH2+]CCC2(CS(C)(=O)=O)CC2)c1 ZINC000850345353 661770875 /nfs/dbraw/zinc/77/08/75/661770875.db2.gz VULAFIZCYXPIKK-UHFFFAOYSA-N 1 1 376.316 2.768 20 10 GFCDMO C[C@H]([NH2+]Cc1cn(C)nc1Br)c1ccc(N2CCOCC2)cc1 ZINC000858109245 662099107 /nfs/dbraw/zinc/09/91/07/662099107.db2.gz SPOWEZMMUFLKDR-ZDUSSCGKSA-N 1 1 379.302 2.870 20 10 GFCDMO C[NH+]1CCC(N2CCC([NH2+]Cc3c([O-])cccc3Br)CC2)CC1 ZINC000858117169 662099513 /nfs/dbraw/zinc/09/95/13/662099513.db2.gz CJCHBFDRSGWOQU-UHFFFAOYSA-N 1 1 382.346 2.803 20 10 GFCDMO COc1cc(Br)cc(C[N@H+]2C[C@H](O)CC3(CCOCC3)C2)c1O ZINC000895721808 663525478 /nfs/dbraw/zinc/52/54/78/663525478.db2.gz JZQRBNMAEKETDR-CQSZACIVSA-N 1 1 386.286 2.527 20 10 GFCDMO COc1cc(Br)cc(C[NH2+]Cc2nc(CN(C)C)cs2)c1O ZINC000922492040 664603720 /nfs/dbraw/zinc/60/37/20/664603720.db2.gz ZGNWOFNNFDKKJC-UHFFFAOYSA-N 1 1 386.315 2.971 20 10 GFCDMO COc1cc(Br)cc(C[N@@H+]2C[C@@]3(CCOC3)OC(C)(C)C2)c1O ZINC000369549018 563217198 /nfs/dbraw/zinc/21/71/98/563217198.db2.gz XAVLLNRMCIEXJC-QGZVFWFLSA-N 1 1 386.286 2.933 20 10 GFCDMO COc1cc(Br)cc(C[N@H+]2C[C@@]3(CCOC3)OC(C)(C)C2)c1O ZINC000369549018 563217201 /nfs/dbraw/zinc/21/72/01/563217201.db2.gz XAVLLNRMCIEXJC-QGZVFWFLSA-N 1 1 386.286 2.933 20 10 GFCDMO CCC[N@@H+](Cc1ccccc1O)Cc1cccc(C(=O)OC)c1-c1nn[nH]n1 ZINC000825323565 607923443 /nfs/dbraw/zinc/92/34/43/607923443.db2.gz YHUKRLHAMQQUEL-UHFFFAOYSA-N 1 1 381.436 2.771 20 10 GFCDMO CCOC(=O)[C@@]1(COC)CCC[N@@H+](Cc2ccc(Br)cc2O)C1 ZINC000825768678 660441162 /nfs/dbraw/zinc/44/11/62/660441162.db2.gz VEFVQXYPRBVKHS-KRWDZBQOSA-N 1 1 386.286 2.946 20 10 GFCDMO COc1ccc(C[N@@H+]2CCCN(C(=O)CSc3nccs3)CC2)cc1 ZINC000123416422 654755341 /nfs/dbraw/zinc/75/53/41/654755341.db2.gz PQVAEXFVVAIDQH-UHFFFAOYSA-N 1 1 377.535 2.978 20 10 GFCDMO COc1ccc(C[N@H+]2CCCN(C(=O)CSc3nccs3)CC2)cc1 ZINC000123416422 654755343 /nfs/dbraw/zinc/75/53/43/654755343.db2.gz PQVAEXFVVAIDQH-UHFFFAOYSA-N 1 1 377.535 2.978 20 10 GFCDMO COCCCNC(=O)C1CC[NH+](Cc2cccc(Br)c2O)CC1 ZINC000092362024 655013826 /nfs/dbraw/zinc/01/38/26/655013826.db2.gz OTFKUWPONLUDBC-UHFFFAOYSA-N 1 1 385.302 2.519 20 10 GFCDMO COc1cc(Br)cc(C[NH+]2CCC(c3n[nH]c(C)n3)CC2)c1O ZINC000092736652 655015639 /nfs/dbraw/zinc/01/56/39/655015639.db2.gz IDUIYKPHRWMQFD-UHFFFAOYSA-N 1 1 381.274 2.969 20 10 GFCDMO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1cccc(Br)c1O ZINC000119475959 655305231 /nfs/dbraw/zinc/30/52/31/655305231.db2.gz RQLDXZFVTVWNMY-LLVKDONJSA-N 1 1 399.310 2.995 20 10 GFCDMO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)Cc1cccc(Br)c1O ZINC000119475959 655305236 /nfs/dbraw/zinc/30/52/36/655305236.db2.gz RQLDXZFVTVWNMY-LLVKDONJSA-N 1 1 399.310 2.995 20 10 GFCDMO CC[N@@H+](CC(=O)N1C[C@@H](C)O[C@@H](C)C1)Cc1cc(Br)ccc1O ZINC000743870786 655732253 /nfs/dbraw/zinc/73/22/53/655732253.db2.gz AYRHRIXCKXJDJB-BETUJISGSA-N 1 1 385.302 2.612 20 10 GFCDMO CN1CCO[C@H]2C[N@@H+](Cc3c(O)ccc4cc(Br)ccc43)C[C@H]21 ZINC000760430096 655980485 /nfs/dbraw/zinc/98/04/85/655980485.db2.gz YSLRWYICSRQANO-AEFFLSMTSA-N 1 1 377.282 2.823 20 10 GFCDMO CC[N@@H+](CC(=O)N1CCOC[C@H]1C1CC1)Cc1cc(Br)ccc1O ZINC000766247724 656166506 /nfs/dbraw/zinc/16/65/06/656166506.db2.gz IIDKOYDQDVFNFW-INIZCTEOSA-N 1 1 397.313 2.614 20 10 GFCDMO COc1ccc(N2CCN(CCNc3cc[nH+]cc3Br)CC2)cc1 ZINC000775461563 656640062 /nfs/dbraw/zinc/64/00/62/656640062.db2.gz ZARKHERHCSABSA-UHFFFAOYSA-N 1 1 391.313 2.509 20 10 GFCDMO CCOc1cccc(C[NH2+][C@@H](C(N)=O)c2cccc(Br)c2)c1O ZINC000793266531 658378979 /nfs/dbraw/zinc/37/89/79/658378979.db2.gz OCLAQEGEYLUQKF-OAHLLOKOSA-N 1 1 379.254 2.870 20 10 GFCDMO Oc1c(Br)cccc1C[NH2+]C[C@@H](N1CCOCC1)C(F)(F)F ZINC000796517675 658921592 /nfs/dbraw/zinc/92/15/92/658921592.db2.gz YLFYNJMFDRNCKV-GFCCVEGCSA-N 1 1 383.208 2.507 20 10 GFCDMO C[C@@H]([NH2+][C@@H](C)c1cc(Br)c(F)cc1O)C1(S(C)(=O)=O)CC1 ZINC000797069850 658973724 /nfs/dbraw/zinc/97/37/24/658973724.db2.gz LUQDWNPXHRNTHT-DTWKUNHWSA-N 1 1 380.279 2.910 20 10 GFCDMO COCC[N@H+]1CCN(Cc2cc(Br)cc(OC)c2O)C(C)(C)C1 ZINC000846103458 661532834 /nfs/dbraw/zinc/53/28/34/661532834.db2.gz YBARJNWDWAOBPY-UHFFFAOYSA-N 1 1 387.318 2.706 20 10 GFCDMO [NH3+]C[C@@H](NCc1cc(Br)cc(Br)c1O)C(F)(F)F ZINC000848714334 661677718 /nfs/dbraw/zinc/67/77/18/661677718.db2.gz NWEVHBREQDVAFU-MRVPVSSYSA-N 1 1 392.013 2.896 20 10 GFCDMO COc1cc(Br)cc(C[N@H+]2CCC[C@H](N3CCOCC3)CC2)c1O ZINC000848929825 661689347 /nfs/dbraw/zinc/68/93/47/661689347.db2.gz JROBPVFGLUIMJA-INIZCTEOSA-N 1 1 399.329 2.850 20 10 GFCDMO COc1cc(Br)cc(CN2CCC[C@H]([NH+]3CCOCC3)CC2)c1O ZINC000848929825 661689352 /nfs/dbraw/zinc/68/93/52/661689352.db2.gz JROBPVFGLUIMJA-INIZCTEOSA-N 1 1 399.329 2.850 20 10 GFCDMO CS(=O)(=O)C1(C[NH2+]Cc2cccc(Br)c2O)CCCCC1 ZINC000850377171 661773430 /nfs/dbraw/zinc/77/34/30/661773430.db2.gz ZYIJWDBHGBNPGI-UHFFFAOYSA-N 1 1 376.316 2.992 20 10 GFCDMO COC(=O)c1cc2n(n1)CCC[C@H]2[NH2+]Cc1cccc(Br)c1O ZINC000897986391 663629206 /nfs/dbraw/zinc/62/92/06/663629206.db2.gz ZMZZCRMXEUQADM-GFCCVEGCSA-N 1 1 380.242 2.763 20 10 GFCDMO COCCO[C@]12CCC[C@@]1([NH2+]Cc1cccc(Br)c1O)CCO2 ZINC000898000902 663629800 /nfs/dbraw/zinc/62/98/00/663629800.db2.gz FVIXWFMWHDDXHT-IAGOWNOFSA-N 1 1 386.286 2.947 20 10 GFCDMO O=C(COCC(F)(F)F)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000158084788 551546910 /nfs/dbraw/zinc/54/69/10/551546910.db2.gz QFJZZDIBCCOKCS-CYBMUJFWSA-N 1 1 380.794 2.705 20 10 GFCDMO C[C@@H]([NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1ccc(F)cc1O ZINC000185431210 552363318 /nfs/dbraw/zinc/36/33/18/552363318.db2.gz FKLPQPZOKIUTEJ-SNVBAGLBSA-N 1 1 384.395 2.744 20 10 GFCDMO Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@H](C)CN2CCN(C)CC2)c1O ZINC000187159079 552408289 /nfs/dbraw/zinc/40/82/89/552408289.db2.gz FCXFIGCLHXWYGK-DZGCQCFKSA-N 1 1 384.362 2.997 20 10 GFCDMO COc1c(O)c(C[NH2+]C[C@@H](O)c2cccc(Br)c2)ccc1[N+](=O)[O-] ZINC000283112242 563435882 /nfs/dbraw/zinc/43/58/82/563435882.db2.gz UNUKREIQMJKCQM-CQSZACIVSA-N 1 1 397.225 2.895 20 10 GFCDMO CC[N@@H+](Cc1cc(Br)ccc1O)[C@@H]1CCN(c2ccn(C)n2)C1=O ZINC000363325250 563719358 /nfs/dbraw/zinc/71/93/58/563719358.db2.gz ANXRIQLKIGUSTQ-CQSZACIVSA-N 1 1 393.285 2.516 20 10 GFCDMO C[C@@H]([NH2+][C@@H]1CCN(CCN2CCOCC2)C1)c1cc(Cl)c(Cl)cc1O ZINC000365733763 563791666 /nfs/dbraw/zinc/79/16/66/563791666.db2.gz IQKGFKFFBFUVJB-ZIAGYGMSSA-N 1 1 388.339 2.756 20 10 GFCDMO CCC[N@@H+](Cc1ccccc1O)[C@@H](C)C(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000821109204 607453748 /nfs/dbraw/zinc/45/37/48/607453748.db2.gz CLKWLTAYNFKICZ-AWEZNQCLSA-N 1 1 380.452 2.812 20 10 GFCDMO CC[N@@H+](Cc1cnc2ccc(-c3nn[nH]n3)cn12)Cc1ccc(N(C)C)cc1 ZINC000825434654 608495952 /nfs/dbraw/zinc/49/59/52/608495952.db2.gz CUELJMIRBIHWHG-UHFFFAOYSA-N 1 1 376.468 2.603 20 10 GFCDMO C[C@@H]([NH2+]Cc1cccc(Br)c1O)C(=O)NCCc1ccccc1 ZINC000835072138 660840150 /nfs/dbraw/zinc/84/01/50/660840150.db2.gz BIQNCCHSPZFVPO-CYBMUJFWSA-N 1 1 377.282 2.992 20 10 GFCDMO C[N@@H+](CCN1C(=O)c2ccccc2C1=O)Cc1cc(Br)ccc1O ZINC000093837742 655021402 /nfs/dbraw/zinc/02/14/02/655021402.db2.gz HHFJHXDSMTYWEH-UHFFFAOYSA-N 1 1 389.249 2.883 20 10 GFCDMO COc1ccc(O)c(C[N@H+](C)[C@@H](C(N)=O)c2cccc(Br)c2)c1 ZINC000136967331 655037240 /nfs/dbraw/zinc/03/72/40/655037240.db2.gz VIKJYAGDNXMELC-MRXNPFEDSA-N 1 1 379.254 2.822 20 10 GFCDMO COc1ccc(O)c(C[N@@H+](C)[C@@H](C(N)=O)c2cccc(Br)c2)c1 ZINC000136967331 655037244 /nfs/dbraw/zinc/03/72/44/655037244.db2.gz VIKJYAGDNXMELC-MRXNPFEDSA-N 1 1 379.254 2.822 20 10 GFCDMO CN(C)C(=O)COC1C[NH+](Cc2c(O)ccc3cc(Br)ccc32)C1 ZINC000751942569 655836515 /nfs/dbraw/zinc/83/65/15/655836515.db2.gz DAZYVJGGGXLNML-UHFFFAOYSA-N 1 1 393.281 2.597 20 10 GFCDMO Cn1cc([C@H](O)C[C@H]2CCC[N@@H+]2Cc2cccc(Br)c2O)cn1 ZINC000770385838 656318064 /nfs/dbraw/zinc/31/80/64/656318064.db2.gz LBTIRCAYQLWWSZ-GDBMZVCRSA-N 1 1 380.286 2.976 20 10 GFCDMO Cn1cc([C@H](O)C[C@H]2CCC[N@H+]2Cc2cccc(Br)c2O)cn1 ZINC000770385838 656318069 /nfs/dbraw/zinc/31/80/69/656318069.db2.gz LBTIRCAYQLWWSZ-GDBMZVCRSA-N 1 1 380.286 2.976 20 10 GFCDMO COCCO[C@@H]1COCC[C@H]1[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000776866304 656798738 /nfs/dbraw/zinc/79/87/38/656798738.db2.gz CWYKTLADTSKVIZ-DRZCJDIDSA-N 1 1 392.265 2.765 20 10 GFCDMO Cc1cc(Br)cc([C@H](C)[NH2+]CCCN2CCC[C@@H](C(N)=O)C2)c1O ZINC000779022615 656897667 /nfs/dbraw/zinc/89/76/67/656897667.db2.gz VOGAMIAQCLDBSI-UONOGXRCSA-N 1 1 398.345 2.701 20 10 GFCDMO COc1cc(Br)cc(C[N@@H+](C)CCN2CC3(C2)CCOCC3)c1O ZINC000877766172 662883213 /nfs/dbraw/zinc/88/32/13/662883213.db2.gz ZZJJLHBOZKRECU-UHFFFAOYSA-N 1 1 399.329 2.708 20 10 GFCDMO COc1cc(Br)cc(CN(C)CC[NH+]2CC3(C2)CCOCC3)c1O ZINC000877766172 662883214 /nfs/dbraw/zinc/88/32/14/662883214.db2.gz ZZJJLHBOZKRECU-UHFFFAOYSA-N 1 1 399.329 2.708 20 10 GFCDMO Oc1c(F)cc(Br)cc1C[NH2+]Cc1ccc(N2CCOCC2)nc1 ZINC000882884907 663044581 /nfs/dbraw/zinc/04/45/81/663044581.db2.gz BNGHVXNUSUYUMT-UHFFFAOYSA-N 1 1 396.260 2.815 20 10 GFCDMO CN(C)c1ccc(C[NH2+]Cc2cn(C)nc2I)cc1F ZINC000894208615 663448808 /nfs/dbraw/zinc/44/88/08/663448808.db2.gz KDTYKXFPTYGOOL-UHFFFAOYSA-N 1 1 388.228 2.520 20 10 GFCDMO CC(C)N1CC[NH+](CCCC(=O)NCc2cccc(Br)c2O)CC1 ZINC000907759481 664059562 /nfs/dbraw/zinc/05/95/62/664059562.db2.gz ZCGPZIYKYZWJNG-UHFFFAOYSA-N 1 1 398.345 2.577 20 10 GFCDMO CN(C)S(=O)(=O)Cc1ccc(C[NH2+]Cc2c(O)ccc(Cl)c2F)cc1 ZINC000922453523 664602435 /nfs/dbraw/zinc/60/24/35/664602435.db2.gz WCFLORPNWRHYJT-UHFFFAOYSA-N 1 1 386.876 2.866 20 10 GFCDMO CCO[C@H](CN[C@H](C)c1cc(Br)cc(OC)c1O)C[NH+](C)C ZINC000926964465 664699541 /nfs/dbraw/zinc/69/95/41/664699541.db2.gz XCWFTPYJLVUBGZ-DGCLKSJQSA-N 1 1 375.307 2.781 20 10 GFCDMO CC[N@@H+](Cc1cc(Br)ccc1O)[C@@H](C)C(=O)Nc1ncccn1 ZINC000157081756 551533386 /nfs/dbraw/zinc/53/33/86/551533386.db2.gz YUTQWDJUDYAISZ-NSHDSACASA-N 1 1 379.258 2.794 20 10 GFCDMO Cc1cc(Br)cc(C[N@@H+]2CCCN(C(=O)[C@@H]3CCCO3)CC2)c1O ZINC000371415721 563277032 /nfs/dbraw/zinc/27/70/32/563277032.db2.gz DHOSEKHGVOBTGD-INIZCTEOSA-N 1 1 397.313 2.676 20 10 GFCDMO Cc1cc(Br)cc(C[N@H+]2CCCN(C(=O)[C@@H]3CCCO3)CC2)c1O ZINC000371415721 563277034 /nfs/dbraw/zinc/27/70/34/563277034.db2.gz DHOSEKHGVOBTGD-INIZCTEOSA-N 1 1 397.313 2.676 20 10 GFCDMO CC[C@@H]1C[N@H+](Cc2cc(Br)cc(OC)c2O)C[C@]2(CCOC2)O1 ZINC000373481942 563339486 /nfs/dbraw/zinc/33/94/86/563339486.db2.gz RCVINIQKZGSOQE-PBHICJAKSA-N 1 1 386.286 2.933 20 10 GFCDMO CC[C@@H]1C[N@@H+](Cc2cc(Br)cc(OC)c2O)C[C@]2(CCOC2)O1 ZINC000373481942 563339489 /nfs/dbraw/zinc/33/94/89/563339489.db2.gz RCVINIQKZGSOQE-PBHICJAKSA-N 1 1 386.286 2.933 20 10 GFCDMO C[C@@H]([NH2+]C[C@@H]1CCn2ncc(C(N)=O)c2C1)c1cc(Cl)c(Cl)cc1O ZINC000280857292 563357935 /nfs/dbraw/zinc/35/79/35/563357935.db2.gz BXKAVZAZTFHIAQ-NXEZZACHSA-N 1 1 383.279 2.908 20 10 GFCDMO C[C@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)[N@@H+](C)Cc1ccccc1O ZINC000735551726 598617777 /nfs/dbraw/zinc/61/77/77/598617777.db2.gz SFJNZXIGAMSCCU-LLVKDONJSA-N 1 1 386.843 2.685 20 10 GFCDMO Oc1ccccc1C[N@@H+](CCOc1cccc(-c2nn[nH]n2)c1)C[C@@H]1CCCO1 ZINC000738400829 598618916 /nfs/dbraw/zinc/61/89/16/598618916.db2.gz LFWSOFYOXLTKNF-IBGZPJMESA-N 1 1 395.463 2.632 20 10 GFCDMO Oc1ccccc1C[N@H+](Cc1cc(-c2nn[nH]n2)ccc1F)C[C@@H]1CCCO1 ZINC000738401168 598702618 /nfs/dbraw/zinc/70/26/18/598702618.db2.gz PJXDOUMGIQZGBE-KRWDZBQOSA-N 1 1 383.427 2.893 20 10 GFCDMO CCC[N@@H+](Cc1ccccc1O)[C@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000821109315 607454134 /nfs/dbraw/zinc/45/41/34/607454134.db2.gz HCTCIULOCDQFSP-SFHVURJKSA-N 1 1 392.463 2.590 20 10 GFCDMO Oc1cc2c(cc1C[N@H+]1CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C1)CCC2 ZINC000826511019 608055131 /nfs/dbraw/zinc/05/51/31/608055131.db2.gz YAUWDEQDHFODIJ-HXUWFJFHSA-N 1 1 377.448 2.635 20 10 GFCDMO C[C@@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc(Br)ccc1[O-] ZINC000817971613 660212775 /nfs/dbraw/zinc/21/27/75/660212775.db2.gz FWBPTLFMARJNTB-QMTHXVAHSA-N 1 1 396.251 2.641 20 10 GFCDMO Oc1c(Br)cccc1C[NH2+]CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000823726989 660378708 /nfs/dbraw/zinc/37/87/08/660378708.db2.gz KNJQOCUAGUGCIE-UHFFFAOYSA-N 1 1 390.241 2.503 20 10 GFCDMO C[N@@H+](Cc1ccc(Br)cc1O)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000824863872 660403737 /nfs/dbraw/zinc/40/37/37/660403737.db2.gz WXWWOASCSNZCJO-UKRRQHHQSA-N 1 1 376.316 2.942 20 10 GFCDMO C[NH+](C)CCOc1cc(C[NH2+]Cc2ccc(Br)cc2[O-])ccn1 ZINC000825442051 660427722 /nfs/dbraw/zinc/42/77/22/660427722.db2.gz WBHSPIDKEORVCS-UHFFFAOYSA-N 1 1 380.286 2.780 20 10 GFCDMO O=C(NCC(F)(F)F)[C@@H]1CC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000825563319 660433420 /nfs/dbraw/zinc/43/34/20/660433420.db2.gz VKPOAHQCMPFGLX-SNVBAGLBSA-N 1 1 381.192 2.655 20 10 GFCDMO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@@H+](Cc2ccc(Br)cc2O)C1 ZINC000826036846 660448447 /nfs/dbraw/zinc/44/84/47/660448447.db2.gz QPSBBCCMORQBEC-GXTWGEPZSA-N 1 1 375.266 2.936 20 10 GFCDMO Cn1ncc(Cl)c1C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000830544278 660662775 /nfs/dbraw/zinc/66/27/75/660662775.db2.gz NNAZAMUKZKQPOR-ZDUSSCGKSA-N 1 1 383.279 2.827 20 10 GFCDMO COCC[N@H+](Cc1ccc(N2CCCCC2)c(Br)c1)[C@@H](C)C(N)=O ZINC000838821421 661058833 /nfs/dbraw/zinc/05/88/33/661058833.db2.gz SSQDEHQBPCLGPT-AWEZNQCLSA-N 1 1 398.345 2.762 20 10 GFCDMO COCC[N@@H+](Cc1ccc(N2CCCCC2)c(Br)c1)[C@@H](C)C(N)=O ZINC000838821421 661058835 /nfs/dbraw/zinc/05/88/35/661058835.db2.gz SSQDEHQBPCLGPT-AWEZNQCLSA-N 1 1 398.345 2.762 20 10 GFCDMO Cn1cc([C@@H](O)C[C@@H]2CCC[N@@H+]2Cc2cccc(Br)c2O)cn1 ZINC000770385849 656317901 /nfs/dbraw/zinc/31/79/01/656317901.db2.gz LBTIRCAYQLWWSZ-HOCLYGCPSA-N 1 1 380.286 2.976 20 10 GFCDMO Cn1cc([C@@H](O)C[C@@H]2CCC[N@H+]2Cc2cccc(Br)c2O)cn1 ZINC000770385849 656317907 /nfs/dbraw/zinc/31/79/07/656317907.db2.gz LBTIRCAYQLWWSZ-HOCLYGCPSA-N 1 1 380.286 2.976 20 10 GFCDMO CS(=O)(=O)c1ccc(C[NH2+]Cc2cccc(Br)c2O)s1 ZINC000786829083 657471530 /nfs/dbraw/zinc/47/15/30/657471530.db2.gz XSRVSFIXOTWBDB-UHFFFAOYSA-N 1 1 376.297 2.910 20 10 GFCDMO C[N@@H+](Cc1cccc(Br)c1[O-])[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000809740512 659937807 /nfs/dbraw/zinc/93/78/07/659937807.db2.gz BYNHIGVLRLSGDW-INIZCTEOSA-N 1 1 382.346 2.755 20 10 GFCDMO C[N@@H+](CCn1cc(Br)cn1)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000809793304 659939533 /nfs/dbraw/zinc/93/95/33/659939533.db2.gz VYLGHKSOVALXEN-UHFFFAOYSA-N 1 1 397.292 2.753 20 10 GFCDMO C[C@@H]([NH2+]CC1CCN(S(C)(=O)=O)CC1)c1cccc(C(F)(F)F)c1O ZINC000815572992 660125840 /nfs/dbraw/zinc/12/58/40/660125840.db2.gz UYIKMQMOZMXXIU-LLVKDONJSA-N 1 1 380.432 2.733 20 10 GFCDMO COCC[N@@H+](Cc1cc(C)cc(Br)c1O)C[C@H](O)C(F)(F)F ZINC000848922501 661688991 /nfs/dbraw/zinc/68/89/91/661688991.db2.gz VCYHZILCXSQKOB-LBPRGKRZSA-N 1 1 386.208 2.835 20 10 GFCDMO COCC[N@H+](Cc1cc(C)cc(Br)c1O)C[C@H](O)C(F)(F)F ZINC000848922501 661689002 /nfs/dbraw/zinc/68/90/02/661689002.db2.gz VCYHZILCXSQKOB-LBPRGKRZSA-N 1 1 386.208 2.835 20 10 GFCDMO C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](C)c2cc(Br)ccc2[O-])CC1 ZINC000854232311 661919965 /nfs/dbraw/zinc/91/99/65/661919965.db2.gz SDRSAARHKHVTMO-ZDUSSCGKSA-N 1 1 398.345 2.796 20 10 GFCDMO Cc1cc(Br)c(O)c(C[NH2+]C[C@@H](n2cncn2)C(F)(F)F)c1 ZINC000865683130 662436260 /nfs/dbraw/zinc/43/62/60/662436260.db2.gz WGCGOALAWHGKJC-LLVKDONJSA-N 1 1 379.180 2.948 20 10 GFCDMO C[C@H]([NH2+]Cc1c(I)cnn1C)c1ccc(N(C)C)cc1 ZINC000866629788 662485046 /nfs/dbraw/zinc/48/50/46/662485046.db2.gz MFBPADFKKFISHX-NSHDSACASA-N 1 1 384.265 2.942 20 10 GFCDMO CC[N@@H+](Cc1cc(Br)ccc1[O-])C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903897354 663810383 /nfs/dbraw/zinc/81/03/83/663810383.db2.gz HTGMZTLHPRVFCB-AWEZNQCLSA-N 1 1 395.345 2.836 20 10 GFCDMO CC[N@H+](Cc1cc(Br)ccc1[O-])C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903897354 663810385 /nfs/dbraw/zinc/81/03/85/663810385.db2.gz HTGMZTLHPRVFCB-AWEZNQCLSA-N 1 1 395.345 2.836 20 10 GFCDMO CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cccc(Br)c1[O-])C2 ZINC000922388077 664598225 /nfs/dbraw/zinc/59/82/25/664598225.db2.gz NZLLJDSYHSTWPA-XYVMCAHJSA-N 1 1 383.330 2.724 20 10 GFCDMO COc1cc(Br)cc(C[N@@H+]2C[C@]3(CCOC3)OC(C)(C)C2)c1O ZINC000369549017 563216986 /nfs/dbraw/zinc/21/69/86/563216986.db2.gz XAVLLNRMCIEXJC-KRWDZBQOSA-N 1 1 386.286 2.933 20 10 GFCDMO COc1cc(Br)cc(C[N@H+]2C[C@]3(CCOC3)OC(C)(C)C2)c1O ZINC000369549017 563216990 /nfs/dbraw/zinc/21/69/90/563216990.db2.gz XAVLLNRMCIEXJC-KRWDZBQOSA-N 1 1 386.286 2.933 20 10 GFCDMO CCN(Cc1cc(Br)ccc1O)C(=O)c1cc([C@@H]2CC[NH2+]C2)[nH]n1 ZINC000279082097 563283114 /nfs/dbraw/zinc/28/31/14/563283114.db2.gz VGHGKMNDRTWVIZ-LLVKDONJSA-N 1 1 393.285 2.617 20 10 GFCDMO CCN(CC)c1ccc(C[N@H+](C)CC(=O)Nc2sccc2-c2nn[nH]n2)cc1 ZINC000736531396 599100088 /nfs/dbraw/zinc/10/00/88/599100088.db2.gz GJWOMKBREHKMKY-UHFFFAOYSA-N 1 1 399.524 2.845 20 10 GFCDMO CCN(CC)c1ccc(C[N@@H+](C)CC(=O)Nc2sccc2-c2nn[nH]n2)cc1 ZINC000736531396 599100090 /nfs/dbraw/zinc/10/00/90/599100090.db2.gz GJWOMKBREHKMKY-UHFFFAOYSA-N 1 1 399.524 2.845 20 10 GFCDMO CCC[N@@H+](Cc1ccccc1O)[C@@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000821109314 607454065 /nfs/dbraw/zinc/45/40/65/607454065.db2.gz HCTCIULOCDQFSP-GOSISDBHSA-N 1 1 392.463 2.590 20 10 GFCDMO COc1ccc(-c2nn[nH]n2)cc1C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000826182338 607464755 /nfs/dbraw/zinc/46/47/55/607464755.db2.gz HGRIIWNDCCGTIW-GOSISDBHSA-N 1 1 395.463 2.762 20 10 GFCDMO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)Cc1ccc(Br)cc1O ZINC000824632226 660398311 /nfs/dbraw/zinc/39/83/11/660398311.db2.gz AFTQYAHQPGRLRK-NSHDSACASA-N 1 1 399.310 2.995 20 10 GFCDMO CCOC(=O)N[C@H]1CCC[N@H+](Cc2cc(Br)cc(OC)c2O)C1 ZINC000153964302 655072393 /nfs/dbraw/zinc/07/23/93/655072393.db2.gz TYEBJQXJQVRGOZ-ZDUSSCGKSA-N 1 1 387.274 2.874 20 10 GFCDMO CCOC(=O)N[C@H]1CCC[N@@H+](Cc2cc(Br)cc(OC)c2O)C1 ZINC000153964302 655072398 /nfs/dbraw/zinc/07/23/98/655072398.db2.gz TYEBJQXJQVRGOZ-ZDUSSCGKSA-N 1 1 387.274 2.874 20 10 GFCDMO CCOC(=O)N1CCC[N@H+](Cc2cc(Br)cc(OC)c2O)CC1 ZINC000179746336 655316626 /nfs/dbraw/zinc/31/66/26/655316626.db2.gz NPTYSVFJQLZXEK-UHFFFAOYSA-N 1 1 387.274 2.828 20 10 GFCDMO CCOC(=O)N1CCC[N@@H+](Cc2cc(Br)cc(OC)c2O)CC1 ZINC000179746336 655316628 /nfs/dbraw/zinc/31/66/28/655316628.db2.gz NPTYSVFJQLZXEK-UHFFFAOYSA-N 1 1 387.274 2.828 20 10 GFCDMO O=C(NC[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1)[C@@H]1CCC[NH2+]1 ZINC000327195783 655385777 /nfs/dbraw/zinc/38/57/77/655385777.db2.gz GXGRIUYEADSQHZ-LRDDRELGSA-N 1 1 386.323 2.779 20 10 GFCDMO C[C@@H]([NH2+]CCS(=O)(=O)CC1CC1)c1cc(Br)c(F)cc1O ZINC000756762104 655904811 /nfs/dbraw/zinc/90/48/11/655904811.db2.gz ODGRSOYRVWQBLV-SECBINFHSA-N 1 1 380.279 2.769 20 10 GFCDMO CCC[C@H]1CN(C(=O)NCCCSc2nccs2)CC[N@H+]1CCOC ZINC000766819115 656184637 /nfs/dbraw/zinc/18/46/37/656184637.db2.gz OWTGBNBWGOCIIH-HNNXBMFYSA-N 1 1 386.587 2.768 20 10 GFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCCn2cc(Br)cn2)c1 ZINC000806659816 659839211 /nfs/dbraw/zinc/83/92/11/659839211.db2.gz GFWMIHFYFKLZHA-NSHDSACASA-N 1 1 382.258 2.879 20 10 GFCDMO COc1cc(Br)cc([C@H](C)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1O ZINC000848528158 661661373 /nfs/dbraw/zinc/66/13/73/661661373.db2.gz JHEVRFLWLJVBAO-FPMFFAJLSA-N 1 1 385.302 2.677 20 10 GFCDMO COc1cc(Br)cc([C@H](C)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)c1O ZINC000848528158 661661378 /nfs/dbraw/zinc/66/13/78/661661378.db2.gz JHEVRFLWLJVBAO-FPMFFAJLSA-N 1 1 385.302 2.677 20 10 GFCDMO C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)c2cc(Br)ccc2[O-])CC1 ZINC000854232310 661919793 /nfs/dbraw/zinc/91/97/93/661919793.db2.gz SDRSAARHKHVTMO-CYBMUJFWSA-N 1 1 398.345 2.796 20 10 GFCDMO C[NH+]1CCN(c2ncc(Br)cc2NC(=O)C2=CC(=O)CS2)CC1 ZINC000854852915 661957351 /nfs/dbraw/zinc/95/73/51/661957351.db2.gz ROSAKDCBBZYSGO-UHFFFAOYSA-N 1 1 397.298 2.615 20 10 GFCDMO C[N@H+]1CCCC[C@H]1CN1CCN(Cc2c(O)cccc2Br)CC1 ZINC000862241786 662276725 /nfs/dbraw/zinc/27/67/25/662276725.db2.gz ZIANDICMGADSQN-HNNXBMFYSA-N 1 1 382.346 2.757 20 10 GFCDMO CCc1noc(C[C@]2(O)CCC[N@@H+](Cc3c(O)cccc3Br)C2)n1 ZINC000862425009 662287433 /nfs/dbraw/zinc/28/74/33/662287433.db2.gz KFBMLGCKSZRLSM-QGZVFWFLSA-N 1 1 396.285 2.670 20 10 GFCDMO COc1ccc(C[NH2+]Cc2cn(C)nc2Br)cc1Cn1cccn1 ZINC000922466508 664602828 /nfs/dbraw/zinc/60/28/28/664602828.db2.gz NPRCRKDRTIWNIK-UHFFFAOYSA-N 1 1 390.285 2.726 20 10 GFCDMO Cn1ccnc1[C@@H](O)[C@@H]1CCC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000180647402 552232451 /nfs/dbraw/zinc/23/24/51/552232451.db2.gz QJZMBNVEWDAXMR-WBMJQRKESA-N 1 1 380.286 2.834 20 10 GFCDMO Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H](C)CN2CCN(C)CC2)c1O ZINC000187159093 552408145 /nfs/dbraw/zinc/40/81/45/552408145.db2.gz FCXFIGCLHXWYGK-ZFWWWQNUSA-N 1 1 384.362 2.997 20 10 GFCDMO C[C@H]([NH2+]C[C@H]1CCn2ncc(C(N)=O)c2C1)c1cc(Cl)c(Cl)cc1O ZINC000280857296 563358002 /nfs/dbraw/zinc/35/80/02/563358002.db2.gz BXKAVZAZTFHIAQ-UWVGGRQHSA-N 1 1 383.279 2.908 20 10 GFCDMO C[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(Br)cc1[O-] ZINC000368330702 563868918 /nfs/dbraw/zinc/86/89/18/563868918.db2.gz XRVTYYSJTYIBDJ-ZFWWWQNUSA-N 1 1 382.346 2.974 20 10 GFCDMO O=C(C[N@H+](Cc1ccccc1O)C1CCCC1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000737866085 598620380 /nfs/dbraw/zinc/62/03/80/598620380.db2.gz VZNGKBDDRWGZEQ-UHFFFAOYSA-N 1 1 392.463 2.956 20 10 GFCDMO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820122088 606855315 /nfs/dbraw/zinc/85/53/15/606855315.db2.gz ZORGTDVQWQHUBW-FQEVSTJZSA-N 1 1 380.496 2.877 20 10 GFCDMO COc1cc(Br)cc(C[N@H+]2C[C@H](O)C[C@@H]2[C@H]2CCCOC2)c1O ZINC000824653757 660398704 /nfs/dbraw/zinc/39/87/04/660398704.db2.gz HEILJAHALIBFMZ-NILFDRSVSA-N 1 1 386.286 2.525 20 10 GFCDMO COCC[N@H+](Cc1ccc(N2CCCCC2)c(Br)c1)[C@H](C)C(N)=O ZINC000838821422 661058799 /nfs/dbraw/zinc/05/87/99/661058799.db2.gz SSQDEHQBPCLGPT-CQSZACIVSA-N 1 1 398.345 2.762 20 10 GFCDMO COCC[N@@H+](Cc1ccc(N2CCCCC2)c(Br)c1)[C@H](C)C(N)=O ZINC000838821422 661058807 /nfs/dbraw/zinc/05/88/07/661058807.db2.gz SSQDEHQBPCLGPT-CQSZACIVSA-N 1 1 398.345 2.762 20 10 GFCDMO C[N@@H+](CCn1cc(Br)cn1)Cc1ccc(N2CCOCC2)cc1 ZINC000111682569 655176081 /nfs/dbraw/zinc/17/60/81/655176081.db2.gz NULIOKRCCXRZST-UHFFFAOYSA-N 1 1 379.302 2.614 20 10 GFCDMO Cc1cc[nH+]c(N2CCN(C(=O)NCCCSc3nccs3)CC2)c1 ZINC000120981867 655347161 /nfs/dbraw/zinc/34/71/61/655347161.db2.gz UMDHNBHPYLRKPS-UHFFFAOYSA-N 1 1 377.539 2.861 20 10 GFCDMO C[C@@H]([NH2+]C[C@@H]1COC2(CCOCC2)O1)c1cc(Br)c(F)cc1O ZINC000756863644 655906086 /nfs/dbraw/zinc/90/60/86/655906086.db2.gz JIOXHNUQXQWWBU-GHMZBOCLSA-N 1 1 390.249 2.867 20 10 GFCDMO COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2cc(C)cc(Br)c2O)C1 ZINC000781897169 657087100 /nfs/dbraw/zinc/08/71/00/657087100.db2.gz DEALSGCCYTYUES-KBPBESRZSA-N 1 1 399.329 2.826 20 10 GFCDMO COCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](Cc2cc(C)cc(Br)c2O)C1 ZINC000781897169 657087106 /nfs/dbraw/zinc/08/71/06/657087106.db2.gz DEALSGCCYTYUES-KBPBESRZSA-N 1 1 399.329 2.826 20 10 GFCDMO C[C@H]([NH2+]CC1(OCCO)CCOCC1)c1cc(Br)c(F)cc1O ZINC000800502441 659313646 /nfs/dbraw/zinc/31/36/46/659313646.db2.gz SMOGWHBPFFOOOD-NSHDSACASA-N 1 1 392.265 2.503 20 10 GFCDMO COc1cc(Br)cc(C[N@H+]2CCC[C@H](CCNC(C)=O)C2)c1O ZINC000809778801 659938937 /nfs/dbraw/zinc/93/89/37/659938937.db2.gz WGWAFWAIUSOHJC-CYBMUJFWSA-N 1 1 385.302 2.902 20 10 GFCDMO CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2cc(C)cc(Br)c2O)C1 ZINC000843432202 661381250 /nfs/dbraw/zinc/38/12/50/661381250.db2.gz JLJNFQXVSGGZLL-CQSZACIVSA-N 1 1 395.219 2.964 20 10 GFCDMO CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cc(C)cc(Br)c2O)C1 ZINC000843432202 661381253 /nfs/dbraw/zinc/38/12/53/661381253.db2.gz JLJNFQXVSGGZLL-CQSZACIVSA-N 1 1 395.219 2.964 20 10 GFCDMO CCc1noc(C[C@@]2(O)CCC[N@@H+](Cc3c(O)cccc3Br)C2)n1 ZINC000862425008 662287520 /nfs/dbraw/zinc/28/75/20/662287520.db2.gz KFBMLGCKSZRLSM-KRWDZBQOSA-N 1 1 396.285 2.670 20 10 GFCDMO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2Cc1cc(Br)cc(F)c1O ZINC000894095525 663442242 /nfs/dbraw/zinc/44/22/42/663442242.db2.gz ROHHOYPKLQQPPZ-BMFZPTHFSA-N 1 1 387.293 2.977 20 10 GFCDMO CCS(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2cc(C(=O)OC)ccc2O)s1 ZINC000280299708 563330789 /nfs/dbraw/zinc/33/07/89/563330789.db2.gz ZUSILDIKKVLLEG-NSHDSACASA-N 1 1 383.491 2.885 20 10 GFCDMO COc1cc(O)c(C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)cc1OC ZINC000826181007 608546187 /nfs/dbraw/zinc/54/61/87/608546187.db2.gz HVAPZDNJWGEQKU-UHFFFAOYSA-N 1 1 381.436 2.754 20 10 GFCDMO Cn1cc([C@@H](O)C[C@H]2CCC[N@H+]2Cc2ccc(Br)cc2O)cn1 ZINC000824948227 660406033 /nfs/dbraw/zinc/40/60/33/660406033.db2.gz CKXGPVVPXWLQTD-WBVHZDCISA-N 1 1 380.286 2.976 20 10 GFCDMO CC[N@@H+](Cc1cc(Br)ccc1O)[C@@H](C)C(=O)NC[C@@H]1CCCO1 ZINC000174423420 655201959 /nfs/dbraw/zinc/20/19/59/655201959.db2.gz ZUVOMAAXOGIANK-WFASDCNBSA-N 1 1 385.302 2.660 20 10 GFCDMO CC[N@H+](CC(=O)Nc1c(C)nn(C)c1C)Cc1cc(Br)ccc1O ZINC000743871252 655732429 /nfs/dbraw/zinc/73/24/29/655732429.db2.gz YWAGFCPMLVXZHI-UHFFFAOYSA-N 1 1 395.301 2.966 20 10 GFCDMO CC[N@@H+](CC(=O)Nc1c(C)nn(C)c1C)Cc1cc(Br)ccc1O ZINC000743871252 655732430 /nfs/dbraw/zinc/73/24/30/655732430.db2.gz YWAGFCPMLVXZHI-UHFFFAOYSA-N 1 1 395.301 2.966 20 10 GFCDMO Cc1cc(Br)c(O)c(C[N@@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)c1 ZINC000779195442 656904701 /nfs/dbraw/zinc/90/47/01/656904701.db2.gz FBJDTHSRGJVMPF-SNVBAGLBSA-N 1 1 395.219 2.964 20 10 GFCDMO Cc1cc(Br)c(O)c(C[N@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)c1 ZINC000779195442 656904710 /nfs/dbraw/zinc/90/47/10/656904710.db2.gz FBJDTHSRGJVMPF-SNVBAGLBSA-N 1 1 395.219 2.964 20 10 GFCDMO Cc1cc(Br)c(O)c(C[NH2+][C@H]2CCCc3c2cnn3CCO)c1 ZINC000781628051 657067160 /nfs/dbraw/zinc/06/71/60/657067160.db2.gz HUKGJMVMDAATRX-HNNXBMFYSA-N 1 1 380.286 2.819 20 10 GFCDMO Cc1cc(Br)c(O)c(C[NH2+]Cc2ccnc(N3CCOCC3)c2)c1 ZINC000781626169 657067323 /nfs/dbraw/zinc/06/73/23/657067323.db2.gz FRKZDUUGJGQSKQ-UHFFFAOYSA-N 1 1 392.297 2.985 20 10 GFCDMO Cc1cc(Br)c(O)c(C[NH+]2CCC(C(=O)N3CCOCC3)CC2)c1 ZINC000781895150 657086764 /nfs/dbraw/zinc/08/67/64/657086764.db2.gz OIGHCPPNVRWOKP-UHFFFAOYSA-N 1 1 397.313 2.534 20 10 GFCDMO OCC[N@@H+](Cc1ccc(Br)s1)Cc1cc2c(cc1O)OCO2 ZINC000792196124 658248392 /nfs/dbraw/zinc/24/83/92/658248392.db2.gz KJDSOUIODDHGFX-UHFFFAOYSA-N 1 1 386.267 2.939 20 10 GFCDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2cc(Cl)c(F)cc2O)cc1 ZINC000816569361 660161345 /nfs/dbraw/zinc/16/13/45/660161345.db2.gz IWHKWBMXMPOCIE-UHFFFAOYSA-N 1 1 388.804 2.656 20 10 GFCDMO Oc1c(Br)cccc1C[NH2+]C[C@H]1CN(Cc2ccncc2)CCO1 ZINC000858305718 662107628 /nfs/dbraw/zinc/10/76/28/662107628.db2.gz CDLSAFHUVPIDPL-INIZCTEOSA-N 1 1 392.297 2.540 20 10 GFCDMO C[NH+](C)CCC[C@H]1CN(Cc2cc(Br)cc(F)c2O)CCO1 ZINC000895352821 663509751 /nfs/dbraw/zinc/50/97/51/663509751.db2.gz QUFPQNMYQNMBQO-AWEZNQCLSA-N 1 1 375.282 2.836 20 10 GFCDMO CN(C)[S@@](C)(=O)=NCC1CC[NH+](Cc2cc(Cl)c(F)cc2O)CC1 ZINC000898400116 663648705 /nfs/dbraw/zinc/64/87/05/663648705.db2.gz WRPJWHGTXITYMD-DEOSSOPVSA-N 1 1 377.913 2.971 20 10 GFCDMO Cc1cc(C)c(O)c(C[N@@H+]2C[C@@H]3[C@](C(F)(F)F)(C2)CCCS3(=O)=O)c1 ZINC000902675590 663765910 /nfs/dbraw/zinc/76/59/10/663765910.db2.gz ZONYYTWXKVQZER-GDBMZVCRSA-N 1 1 377.428 2.951 20 10 GFCDMO Cc1cc(C)c(O)c(C[N@H+]2C[C@@H]3[C@](C(F)(F)F)(C2)CCCS3(=O)=O)c1 ZINC000902675590 663765912 /nfs/dbraw/zinc/76/59/12/663765912.db2.gz ZONYYTWXKVQZER-GDBMZVCRSA-N 1 1 377.428 2.951 20 10 GFCDMO C[N@H+]1CC[C@@H]1CNC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000928567057 664735171 /nfs/dbraw/zinc/73/51/71/664735171.db2.gz MEJMVUXSHQBEFU-XTCQQWIJSA-N 1 1 395.575 2.550 20 10 GFCDMO C[C@@H]([NH2+]C[C@@H]1CCN(S(=O)(=O)c2cccs2)C1)c1ccc(F)cc1O ZINC000375837666 563420695 /nfs/dbraw/zinc/42/06/95/563420695.db2.gz HGOPRYXTJGNVIV-OLZOCXBDSA-N 1 1 384.498 2.954 20 10 GFCDMO C[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc(Br)ccc1[O-] ZINC000368328024 563868496 /nfs/dbraw/zinc/86/84/96/563868496.db2.gz NQFNVQSGNCKRJD-ZFWWWQNUSA-N 1 1 382.346 2.974 20 10 GFCDMO CCOc1cccc(C[N@H+]2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)c1O ZINC000825649063 608853512 /nfs/dbraw/zinc/85/35/12/608853512.db2.gz KJLWPOJFKQAUGL-GOSISDBHSA-N 1 1 381.436 2.545 20 10 GFCDMO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@H+](Cc2cccc(Br)c2O)C1 ZINC000824616479 660398289 /nfs/dbraw/zinc/39/82/89/660398289.db2.gz WJCNVDFQQWLZTM-GXTWGEPZSA-N 1 1 375.266 2.936 20 10 GFCDMO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000824616479 660398292 /nfs/dbraw/zinc/39/82/92/660398292.db2.gz WJCNVDFQQWLZTM-GXTWGEPZSA-N 1 1 375.266 2.936 20 10 GFCDMO Cn1cc([C@H](O)C[C@H]2CCC[N@H+]2Cc2ccc(Br)cc2O)cn1 ZINC000824948225 660405799 /nfs/dbraw/zinc/40/57/99/660405799.db2.gz CKXGPVVPXWLQTD-NVXWUHKLSA-N 1 1 380.286 2.976 20 10 GFCDMO NC(=O)C[N@@H+]1CCc2ccc(NCc3ccc(Br)cc3O)cc2C1 ZINC000825725991 660439691 /nfs/dbraw/zinc/43/96/91/660439691.db2.gz CTFSHMCFMJQWMS-UHFFFAOYSA-N 1 1 390.281 2.610 20 10 GFCDMO NC(=O)C[N@H+]1CCc2ccc(NCc3ccc(Br)cc3O)cc2C1 ZINC000825725991 660439692 /nfs/dbraw/zinc/43/96/92/660439692.db2.gz CTFSHMCFMJQWMS-UHFFFAOYSA-N 1 1 390.281 2.610 20 10 GFCDMO C[C@H]([NH2+]C[C@H]1COC2(CCOCC2)O1)c1cc(Br)c(F)cc1O ZINC000756863648 655906139 /nfs/dbraw/zinc/90/61/39/655906139.db2.gz JIOXHNUQXQWWBU-QWRGUYRKSA-N 1 1 390.249 2.867 20 10 GFCDMO Oc1c(Br)cc(Br)cc1CN1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000841026572 661229062 /nfs/dbraw/zinc/22/90/62/661229062.db2.gz IZMUBPDEQDQFNN-PELKAZGASA-N 1 1 376.092 2.711 20 10 GFCDMO Cn1cc([C@@H](O)C[C@H]2CCC[N@@H+]2Cc2cccc(Br)c2O)cn1 ZINC000770385856 656318018 /nfs/dbraw/zinc/31/80/18/656318018.db2.gz LBTIRCAYQLWWSZ-ZBFHGGJFSA-N 1 1 380.286 2.976 20 10 GFCDMO Cn1cc([C@@H](O)C[C@H]2CCC[N@H+]2Cc2cccc(Br)c2O)cn1 ZINC000770385856 656318022 /nfs/dbraw/zinc/31/80/22/656318022.db2.gz LBTIRCAYQLWWSZ-ZBFHGGJFSA-N 1 1 380.286 2.976 20 10 GFCDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NCCCSc1nccs1 ZINC000787282619 657538009 /nfs/dbraw/zinc/53/80/09/657538009.db2.gz LHACABURCKUMCS-AWEZNQCLSA-N 1 1 384.571 2.520 20 10 GFCDMO Cn1cc(Cl)c(C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)n1 ZINC000860241888 662193436 /nfs/dbraw/zinc/19/34/36/662193436.db2.gz MZFHDWCPJHIPGF-ZDUSSCGKSA-N 1 1 383.279 2.827 20 10 GFCDMO Cn1cc(Cl)c(C(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)n1 ZINC000860241888 662193438 /nfs/dbraw/zinc/19/34/38/662193438.db2.gz MZFHDWCPJHIPGF-ZDUSSCGKSA-N 1 1 383.279 2.827 20 10 GFCDMO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3c(O)cccc3Br)CC2)cn1 ZINC000862220093 662274402 /nfs/dbraw/zinc/27/44/02/662274402.db2.gz JWMDJMUIMRWYGF-UHFFFAOYSA-N 1 1 393.241 2.780 20 10 GFCDMO CC[N@@H+](Cc1cccc(S(N)(=O)=O)c1)Cc1cc(Br)ccc1O ZINC000876794024 662866526 /nfs/dbraw/zinc/86/65/26/662866526.db2.gz KTXJHSLRIMBXIZ-UHFFFAOYSA-N 1 1 399.310 2.824 20 10 GFCDMO COc1ccc(N2CCC[N@H+](C[C@H](O)c3cc(Br)no3)CC2)cc1 ZINC000877984949 662887597 /nfs/dbraw/zinc/88/75/97/662887597.db2.gz QHKKWWOHIGAHQX-HNNXBMFYSA-N 1 1 396.285 2.691 20 10 GFCDMO COc1ccc(N2CCC[N@@H+](C[C@H](O)c3cc(Br)no3)CC2)cc1 ZINC000877984949 662887599 /nfs/dbraw/zinc/88/75/99/662887599.db2.gz QHKKWWOHIGAHQX-HNNXBMFYSA-N 1 1 396.285 2.691 20 10 GFCDMO COc1ccc(N(C)CC[N@@H+](C)C[C@H](O)c2cc(Br)no2)cc1 ZINC000878804742 662906038 /nfs/dbraw/zinc/90/60/38/662906038.db2.gz BXZIGJBAFVORDG-AWEZNQCLSA-N 1 1 384.274 2.547 20 10 GFCDMO C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1cc(Cl)cc(Br)c1[O-] ZINC000883185496 663051050 /nfs/dbraw/zinc/05/10/50/663051050.db2.gz XZOSGFPZCOEHFE-UHFFFAOYSA-N 1 1 390.753 2.877 20 10 GFCDMO CN1CCN(c2ccc(C[NH2+]Cc3cncc(Br)c3)cc2)CC1 ZINC000883283503 663052261 /nfs/dbraw/zinc/05/22/61/663052261.db2.gz IAFFLBPDVFCKHE-UHFFFAOYSA-N 1 1 375.314 2.886 20 10 GFCDMO NC(=O)C1CCN(c2ccc(CNc3cc[nH+]cc3Br)cc2)CC1 ZINC000884693827 663073608 /nfs/dbraw/zinc/07/36/08/663073608.db2.gz QBUSHJFJIRHQDQ-UHFFFAOYSA-N 1 1 389.297 2.580 20 10 GFCDMO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2Cc1cc(Br)cc(F)c1O ZINC000894095532 663442637 /nfs/dbraw/zinc/44/26/37/663442637.db2.gz ROHHOYPKLQQPPZ-VNQPRFMTSA-N 1 1 387.293 2.977 20 10 GFCDMO COc1ccc(O)c(C[NH2+][C@@H](CO)c2ccccc2I)c1 ZINC000898513670 663654571 /nfs/dbraw/zinc/65/45/71/663654571.db2.gz XPYPHVVXENLBCA-HNNXBMFYSA-N 1 1 399.228 2.829 20 10 GFCDMO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1c([O-])cccc1Br)C2 ZINC000922391577 664598778 /nfs/dbraw/zinc/59/87/78/664598778.db2.gz WSCOWQPVCSNWHJ-BGTYHANMSA-N 1 1 383.330 2.724 20 10 GFCDMO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1c([O-])cccc1Br)C2 ZINC000922391577 664598783 /nfs/dbraw/zinc/59/87/83/664598783.db2.gz WSCOWQPVCSNWHJ-BGTYHANMSA-N 1 1 383.330 2.724 20 10 GFCDMO CC[C@@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cc(Br)ccc1[O-] ZINC000925857753 664676379 /nfs/dbraw/zinc/67/63/79/664676379.db2.gz QTOMRPFNLMAYRT-DZGCQCFKSA-N 1 1 397.313 2.881 20 10 GFCDMO CCO[C@H](CN[C@@H](C)c1cc(Br)cc(OC)c1O)C[NH+](C)C ZINC000926964467 664699440 /nfs/dbraw/zinc/69/94/40/664699440.db2.gz XCWFTPYJLVUBGZ-WCQYABFASA-N 1 1 375.307 2.781 20 10 GFCDMO Cn1ccnc1[C@H](O)[C@H]1CCC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000180647422 552232307 /nfs/dbraw/zinc/23/23/07/552232307.db2.gz QJZMBNVEWDAXMR-BLLLJJGKSA-N 1 1 380.286 2.834 20 10 GFCDMO Oc1ccc(Cl)cc1C[N@H+]1CCC[C@H](Nc2cccc(-c3nn[nH]n3)n2)C1 ZINC000826511079 607899432 /nfs/dbraw/zinc/89/94/32/607899432.db2.gz BEYHFHSUKBVQMG-AWEZNQCLSA-N 1 1 385.859 2.697 20 10 GFCDMO COc1cc(-c2nn[nH]n2)ccc1C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000826168457 608372565 /nfs/dbraw/zinc/37/25/65/608372565.db2.gz NNQDSJJIVFJBRN-GOSISDBHSA-N 1 1 395.463 2.762 20 10 GFCDMO Cn1cc([C@@H](O)C[C@@H]2CCC[N@H+]2Cc2ccc(Br)cc2O)cn1 ZINC000824948226 660406074 /nfs/dbraw/zinc/40/60/74/660406074.db2.gz CKXGPVVPXWLQTD-RDJZCZTQSA-N 1 1 380.286 2.976 20 10 GFCDMO COCC[N@@H+]1[C@H](C)CN(Cc2cc(Br)cc(OC)c2O)C[C@@H]1C ZINC000093478763 655019842 /nfs/dbraw/zinc/01/98/42/655019842.db2.gz IQDPYTRZCUTCRM-BETUJISGSA-N 1 1 387.318 2.704 20 10 GFCDMO C[N@H+](CCN1C(=O)c2ccccc2C1=O)Cc1cccc(Br)c1O ZINC000093837841 655021269 /nfs/dbraw/zinc/02/12/69/655021269.db2.gz YZIJDSGTYVWGHU-UHFFFAOYSA-N 1 1 389.249 2.883 20 10 GFCDMO C[N@@H+](CCN1C(=O)c2ccccc2C1=O)Cc1cccc(Br)c1O ZINC000093837841 655021272 /nfs/dbraw/zinc/02/12/72/655021272.db2.gz YZIJDSGTYVWGHU-UHFFFAOYSA-N 1 1 389.249 2.883 20 10 GFCDMO CS(=O)(=O)Nc1ccc(OCC[NH2+]Cc2cc(Cl)c(F)cc2O)cc1 ZINC000293660771 655361344 /nfs/dbraw/zinc/36/13/44/655361344.db2.gz POTLNWUCEPQEQT-UHFFFAOYSA-N 1 1 388.848 2.725 20 10 GFCDMO COCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cc2cc(Br)cc(C)c2O)C1 ZINC000775664148 656662285 /nfs/dbraw/zinc/66/22/85/656662285.db2.gz UAOPRAFQZYQZEQ-KGLIPLIRSA-N 1 1 399.329 2.826 20 10 GFCDMO C[C@H]([NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl)c1ccc(F)cc1O ZINC000800990351 659362270 /nfs/dbraw/zinc/36/22/70/659362270.db2.gz QUHREXALZLNBIZ-JTQLQIEISA-N 1 1 390.839 2.953 20 10 GFCDMO CC(C)[C@@H](C(=O)NCc1cc(Br)ccc1O)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000804738948 659678758 /nfs/dbraw/zinc/67/87/58/659678758.db2.gz KIGPOIDCEYUDQP-AHIWAGSCSA-N 1 1 399.329 2.905 20 10 GFCDMO CC(C)[C@@H](C(=O)NCc1cc(Br)ccc1O)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000804738948 659678770 /nfs/dbraw/zinc/67/87/70/659678770.db2.gz KIGPOIDCEYUDQP-AHIWAGSCSA-N 1 1 399.329 2.905 20 10 GFCDMO Cc1[nH+]ccn1CCCCNC(=O)NCc1cc(Br)ccc1O ZINC000805149600 659751939 /nfs/dbraw/zinc/75/19/39/659751939.db2.gz JZJTYVWTFONATA-UHFFFAOYSA-N 1 1 381.274 2.939 20 10 GFCDMO CSCC[C@H]([NH2+]Cc1cc(C)cc(Br)c1O)C(=O)N(C)C ZINC000808438977 659894176 /nfs/dbraw/zinc/89/41/76/659894176.db2.gz SQGYNCVNUFPLRH-ZDUSSCGKSA-N 1 1 375.332 2.763 20 10 GFCDMO C[C@H]([NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1)c1ccc(Cl)cc1O ZINC000841750022 661311777 /nfs/dbraw/zinc/31/17/77/661311777.db2.gz SMBCZBCGBGETDW-JTQLQIEISA-N 1 1 382.860 2.961 20 10 GFCDMO Cc1cc(C(=O)NCC(F)(F)C[NH3+])c(C)n1-c1ccc(Br)cn1 ZINC000843460762 661382437 /nfs/dbraw/zinc/38/24/37/661382437.db2.gz CDNLJKMMECTWRP-UHFFFAOYSA-N 1 1 387.228 2.575 20 10 GFCDMO Cc1cc(C(=O)NC[C@@H]2CC[N@H+](C)C2)c(C)n1-c1ccc(Br)cn1 ZINC000843772563 661392038 /nfs/dbraw/zinc/39/20/38/661392038.db2.gz UNBUYSBHFSKQSQ-AWEZNQCLSA-N 1 1 391.313 2.933 20 10 GFCDMO Cc1nn(C)c(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c1Br ZINC000850406838 661775091 /nfs/dbraw/zinc/77/50/91/661775091.db2.gz WBSLLDUZANPWMX-UHFFFAOYSA-N 1 1 393.329 2.742 20 10 GFCDMO Cn1cc([C@H](O)C[C@H]2CCC[N@H+]2Cc2c(O)cccc2Br)cn1 ZINC000862251909 662277802 /nfs/dbraw/zinc/27/78/02/662277802.db2.gz ACRKVCHOXVVPMQ-CXAGYDPISA-N 1 1 380.286 2.976 20 10 GFCDMO C[C@@H]1C[N@H+](CCC[NH2+]Cc2cc(Br)cc(F)c2[O-])CCCO1 ZINC000883104418 663049261 /nfs/dbraw/zinc/04/92/61/663049261.db2.gz ZEEXSJAAHBMIAE-GFCCVEGCSA-N 1 1 375.282 2.884 20 10 GFCDMO C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cc(Br)cc(F)c2[O-])CCCO1 ZINC000883104418 663049264 /nfs/dbraw/zinc/04/92/64/663049264.db2.gz ZEEXSJAAHBMIAE-GFCCVEGCSA-N 1 1 375.282 2.884 20 10 GFCDMO Cc1cc(Br)c(O)c(C[NH2+][C@@]2(CO)COc3ccccc3C2)c1 ZINC000527769385 564760820 /nfs/dbraw/zinc/76/08/20/564760820.db2.gz MXOUVGQIZMSALV-SFHVURJKSA-N 1 1 378.266 2.919 20 10 GFCDMO C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000824763750 608121898 /nfs/dbraw/zinc/12/18/98/608121898.db2.gz OWQDKLHSPRYENE-INIZCTEOSA-N 1 1 378.480 2.896 20 10 GFCDMO COc1cc(Br)cc(C[N@H+]2CC[C@@H]([C@H](O)C(F)(F)F)C2)c1O ZINC000825124016 660411710 /nfs/dbraw/zinc/41/17/10/660411710.db2.gz GKKNKSKSGOTRRH-OQPBUACISA-N 1 1 384.192 2.908 20 10 GFCDMO Cn1cc(C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)c(Cl)n1 ZINC000827095418 660478874 /nfs/dbraw/zinc/47/88/74/660478874.db2.gz FZYMITHMMBEFDR-ZDUSSCGKSA-N 1 1 383.279 2.827 20 10 GFCDMO Cn1cc(C(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)c(Cl)n1 ZINC000827095418 660478877 /nfs/dbraw/zinc/47/88/77/660478877.db2.gz FZYMITHMMBEFDR-ZDUSSCGKSA-N 1 1 383.279 2.827 20 10 GFCDMO COc1cc(Br)cc(CN2CCC([N@H+]3CCO[C@@H](C)C3)CC2)c1O ZINC000092078925 655011859 /nfs/dbraw/zinc/01/18/59/655011859.db2.gz VHRPVSCPMNPWMZ-ZDUSSCGKSA-N 1 1 399.329 2.848 20 10 GFCDMO COc1cc(Br)cc(C[NH+]2CCC(N3CCO[C@@H](C)C3)CC2)c1O ZINC000092078925 655011863 /nfs/dbraw/zinc/01/18/63/655011863.db2.gz VHRPVSCPMNPWMZ-ZDUSSCGKSA-N 1 1 399.329 2.848 20 10 GFCDMO COc1cc(Br)cc(C[N@H+]2CCC[C@H](CN3CCOCC3)C2)c1O ZINC000093017147 655016674 /nfs/dbraw/zinc/01/66/74/655016674.db2.gz MPGRSPATVHUYQT-CQSZACIVSA-N 1 1 399.329 2.708 20 10 GFCDMO COc1cc(Br)cc(CN2CCC[C@H](C[NH+]3CCOCC3)C2)c1O ZINC000093017147 655016677 /nfs/dbraw/zinc/01/66/77/655016677.db2.gz MPGRSPATVHUYQT-CQSZACIVSA-N 1 1 399.329 2.708 20 10 GFCDMO CCOCCCNC(=O)[C@@H](C)[N@@H+](CC)Cc1cc(Br)ccc1O ZINC000174422810 655201951 /nfs/dbraw/zinc/20/19/51/655201951.db2.gz CZTTYAVZJMFVKH-CYBMUJFWSA-N 1 1 387.318 2.908 20 10 GFCDMO Oc1cccc(Br)c1CNC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000706812893 655522217 /nfs/dbraw/zinc/52/22/17/655522217.db2.gz GUXTXNNYLODHSM-LJQANCHMSA-N 1 1 391.309 2.881 20 10 GFCDMO COc1cc(Br)cc(C[N@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)c1O ZINC000769403984 656274268 /nfs/dbraw/zinc/27/42/68/656274268.db2.gz GRRSPPKLYWARCQ-CYBMUJFWSA-N 1 1 397.313 2.998 20 10 GFCDMO COc1cc(Br)cc(C[N@H+](C)CC(=O)NCc2ccccc2)c1O ZINC000769466504 656277317 /nfs/dbraw/zinc/27/73/17/656277317.db2.gz KMFZOAIBOMKMHO-UHFFFAOYSA-N 1 1 393.281 2.912 20 10 GFCDMO COc1cc(Br)cc(C[N@@H+](C)CC(=O)NCc2ccccc2)c1O ZINC000769466504 656277321 /nfs/dbraw/zinc/27/73/21/656277321.db2.gz KMFZOAIBOMKMHO-UHFFFAOYSA-N 1 1 393.281 2.912 20 10 GFCDMO CCOc1cccc(C[NH2+][C@H](C(N)=O)c2cccc(Br)c2)c1O ZINC000793266530 658378566 /nfs/dbraw/zinc/37/85/66/658378566.db2.gz OCLAQEGEYLUQKF-HNNXBMFYSA-N 1 1 379.254 2.870 20 10 GFCDMO COc1ccc(O)c(C[NH2+]Cc2ncc(I)s2)c1 ZINC000796305860 658912121 /nfs/dbraw/zinc/91/21/21/658912121.db2.gz AFDXKSAVSKBFQS-UHFFFAOYSA-N 1 1 376.219 2.752 20 10 GFCDMO C[C@@H]([NH2+][C@@H](C)C1(S(C)(=O)=O)CC1)c1cc(Br)c(F)cc1O ZINC000797069845 658973960 /nfs/dbraw/zinc/97/39/60/658973960.db2.gz LUQDWNPXHRNTHT-BDAKNGLRSA-N 1 1 380.279 2.910 20 10 GFCDMO Cc1ccc(S(=O)(=O)NCC[NH2+]Cc2cc(Cl)c(F)cc2O)s1 ZINC000816557825 660161078 /nfs/dbraw/zinc/16/10/78/660161078.db2.gz CFWQFTIEXWSXHG-UHFFFAOYSA-N 1 1 378.878 2.623 20 10 GFCDMO Cc1cc(C(=O)N2CC[NH+](C)CC2)c(C)n1-c1ccc(Br)cn1 ZINC000843750445 661391632 /nfs/dbraw/zinc/39/16/32/661391632.db2.gz YDHYZMCQMTUWGV-UHFFFAOYSA-N 1 1 377.286 2.639 20 10 GFCDMO COc1cc(N2CC[NH+](CC3(Br)CC3)CC2)cc(OC)c1OC ZINC000846856669 661567467 /nfs/dbraw/zinc/56/74/67/661567467.db2.gz PZSWQZDYIYBHKI-UHFFFAOYSA-N 1 1 385.302 2.762 20 10 GFCDMO CN(Cc1c(O)cccc1Br)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000862367541 662283197 /nfs/dbraw/zinc/28/31/97/662283197.db2.gz MLYDKBCVTKFLDR-HNNXBMFYSA-N 1 1 382.346 2.755 20 10 GFCDMO CC[N@@H+](Cc1c2c(nn1C)CCOC2)Cc1cc(Br)ccc1O ZINC000892195104 663365430 /nfs/dbraw/zinc/36/54/30/663365430.db2.gz MQTNNFKSQZZTSL-UHFFFAOYSA-N 1 1 380.286 2.983 20 10 GFCDMO C[C@H]([NH2+][C@H]1Cc2cc(Br)cnc2NC1=O)c1c(O)cccc1F ZINC000903326766 663782166 /nfs/dbraw/zinc/78/21/66/663782166.db2.gz RZUMGXGDXPKNEM-UFBFGSQYSA-N 1 1 380.217 2.903 20 10 GFCDMO COc1cc(Br)cc(CN2CC[N@H+](C3CCOCC3)C[C@@H]2C)c1O ZINC000369640761 563220480 /nfs/dbraw/zinc/22/04/80/563220480.db2.gz SXSXOFHDEMXKDN-ZDUSSCGKSA-N 1 1 399.329 2.848 20 10 GFCDMO Oc1ccccc1C[N@H+](Cc1cc(F)ccc1-c1nn[nH]n1)C[C@H]1CCCO1 ZINC000823733088 607066730 /nfs/dbraw/zinc/06/67/30/607066730.db2.gz SZPIORAJDQMFID-QGZVFWFLSA-N 1 1 383.427 2.893 20 10 GFCDMO COCC[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cc(OC)c(C)cc1O ZINC000826159159 608546427 /nfs/dbraw/zinc/54/64/27/608546427.db2.gz UCYWZUVYTSHLTP-UHFFFAOYSA-N 1 1 383.452 2.538 20 10 GFCDMO COc1cc(O)c(C[N@@H+]2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)cc1OC ZINC000826180984 608546474 /nfs/dbraw/zinc/54/64/74/608546474.db2.gz GXWUVBKXRNDYGE-UHFFFAOYSA-N 1 1 393.447 2.879 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C[C@H]([NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1c(O)cccc1F ZINC000886526110 663113313 /nfs/dbraw/zinc/11/33/13/663113313.db2.gz FMCWUYULCYIMJQ-JTQLQIEISA-N 1 1 384.395 2.744 20 10 GFCDMO COc1cc(C)cc(C[N@H+](C)CC(=O)Nc2ccc(Br)cn2)c1O ZINC000893995290 663435932 /nfs/dbraw/zinc/43/59/32/663435932.db2.gz KHWPAGAUGZZEBE-UHFFFAOYSA-N 1 1 394.269 2.937 20 10 GFCDMO COc1cc(C)cc(C[N@@H+](C)CC(=O)Nc2ccc(Br)cn2)c1O ZINC000893995290 663435936 /nfs/dbraw/zinc/43/59/36/663435936.db2.gz KHWPAGAUGZZEBE-UHFFFAOYSA-N 1 1 394.269 2.937 20 10 GFCDMO COc1cc(Br)cc(C[N@H+]2CC[C@](CO)(C(F)(F)F)C2)c1O ZINC000895843421 663529969 /nfs/dbraw/zinc/52/99/69/663529969.db2.gz HWYNIDNCFAXXJM-ZDUSSCGKSA-N 1 1 384.192 2.910 20 10 GFCDMO COc1cc(Br)cc(CN2CCC[C@H]2C[N@H+]2CCC[C@@H]2CO)c1O ZINC000367467780 563845992 /nfs/dbraw/zinc/84/59/92/563845992.db2.gz VWGKDLGKIPXHLK-JKSUJKDBSA-N 1 1 399.329 2.584 20 10 GFCDMO CC(C)[N@@H+](CC(=O)Nc1sccc1-c1nn[nH]n1)Cc1ccc(N(C)C)cc1 ZINC000820116345 607363895 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CCOC(=O)[C@]1(COC)CCC[N@@H+](Cc2ccc(Br)cc2O)C1 ZINC000825768679 660441197 /nfs/dbraw/zinc/44/11/97/660441197.db2.gz VEFVQXYPRBVKHS-QGZVFWFLSA-N 1 1 386.286 2.946 20 10 GFCDMO CC[N@H+](Cc1cc(Br)ccc1O)C[C@H](O)COC1CCOCC1 ZINC000122604045 654740076 /nfs/dbraw/zinc/74/00/76/654740076.db2.gz YYTSGJZYIDKMAJ-HNNXBMFYSA-N 1 1 388.302 2.533 20 10 GFCDMO CCOCCCNC(=O)[C@H](C)[N@@H+](CC)Cc1cc(Br)ccc1O ZINC000174422792 655201913 /nfs/dbraw/zinc/20/19/13/655201913.db2.gz CZTTYAVZJMFVKH-ZDUSSCGKSA-N 1 1 387.318 2.908 20 10 GFCDMO CNC(=O)COc1cccc(C[NH2+]Cc2cccc(Br)c2O)c1 ZINC000725847238 655527856 /nfs/dbraw/zinc/52/78/56/655527856.db2.gz WMMPRKWBLHZNOJ-UHFFFAOYSA-N 1 1 379.254 2.569 20 10 GFCDMO Cc1nnc(NC(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)s1 ZINC000732233810 655593649 /nfs/dbraw/zinc/59/36/49/655593649.db2.gz YCRWYCREYMZWLV-ZDUSSCGKSA-N 1 1 381.889 2.992 20 10 GFCDMO C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cc(Br)c(F)cc1[O-] ZINC000756550388 655901826 /nfs/dbraw/zinc/90/18/26/655901826.db2.gz 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C[N@H+]1CC[C@H]1CNC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000928567054 664735105 /nfs/dbraw/zinc/73/51/05/664735105.db2.gz MEJMVUXSHQBEFU-GVIGZQTCSA-N 1 1 395.575 2.550 20 10 GFCDMO C[N@@H+](Cc1cc(Br)ccc1O)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000093646513 551195073 /nfs/dbraw/zinc/19/50/73/551195073.db2.gz MDQILFAYKYDZPX-ZFWWWQNUSA-N 1 1 376.316 2.942 20 10 GFCDMO COc1cc(Br)cc(C[N@H+]2CCC[C@H](Cn3ccnn3)C2)c1O ZINC000180798261 552236034 /nfs/dbraw/zinc/23/60/34/552236034.db2.gz VOCADSWNASJQJO-LBPRGKRZSA-N 1 1 381.274 2.667 20 10 GFCDMO O=C(c1ccc[nH]1)N1CCC[N@@H+](Cc2cc(Br)ccc2O)CC1 ZINC000372512603 563309288 /nfs/dbraw/zinc/30/92/88/563309288.db2.gz MGSPNTHMCHBYQP-UHFFFAOYSA-N 1 1 378.270 2.831 20 10 GFCDMO O=C(c1ccc[nH]1)N1CCC[N@H+](Cc2cc(Br)ccc2O)CC1 ZINC000372512603 563309290 /nfs/dbraw/zinc/30/92/90/563309290.db2.gz MGSPNTHMCHBYQP-UHFFFAOYSA-N 1 1 378.270 2.831 20 10 GFCDMO CC[C@H]1C[N@H+](Cc2cc(Br)cc(OC)c2O)C[C@]2(CCOC2)O1 ZINC000373481953 563340248 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GFCDMO Oc1ccc(Cl)cc1C[N@H+]1CCC[C@@H](Nc2ccc(-c3nn[nH]n3)cn2)C1 ZINC000738400395 598628740 /nfs/dbraw/zinc/62/87/40/598628740.db2.gz FJLSIGVGHFORKZ-OAHLLOKOSA-N 1 1 385.859 2.697 20 10 GFCDMO O=C(C[N@H+](Cc1ccccc1O)C1CCCC1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737863862 598702766 /nfs/dbraw/zinc/70/27/66/598702766.db2.gz ISTDSMOTAMSJGR-UHFFFAOYSA-N 1 1 392.463 2.956 20 10 GFCDMO CCOc1ccc(C[N@H+]2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)c(O)c1 ZINC000825638856 608849510 /nfs/dbraw/zinc/84/95/10/608849510.db2.gz QEEHJVUCQPPKMA-IBGZPJMESA-N 1 1 381.436 2.545 20 10 GFCDMO O=C(C[N@H+](Cc1ccc(Br)cc1O)C[C@H]1CCCO1)N1CCCC1 ZINC000824869881 660403754 /nfs/dbraw/zinc/40/37/54/660403754.db2.gz IVJLDPRFFPEPEK-MRXNPFEDSA-N 1 1 397.313 2.758 20 10 GFCDMO O=C(C[N@@H+](Cc1ccc(Br)cc1O)C[C@H]1CCCO1)N1CCCC1 ZINC000824869881 660403755 /nfs/dbraw/zinc/40/37/55/660403755.db2.gz IVJLDPRFFPEPEK-MRXNPFEDSA-N 1 1 397.313 2.758 20 10 GFCDMO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)Cc1cc(Br)ccc1O ZINC000092585281 655014585 /nfs/dbraw/zinc/01/45/85/655014585.db2.gz BALFPFBYTNVKDW-LLVKDONJSA-N 1 1 399.310 2.995 20 10 GFCDMO CCNS(=O)(=O)c1cccc(C[NH2+]Cc2cccc(Br)c2O)c1 ZINC000839147093 661073682 /nfs/dbraw/zinc/07/36/82/661073682.db2.gz CYKHEOBMEYLLML-UHFFFAOYSA-N 1 1 399.310 2.743 20 10 GFCDMO Cc1nnc(NC(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)s1 ZINC000732233808 655593718 /nfs/dbraw/zinc/59/37/18/655593718.db2.gz YCRWYCREYMZWLV-CYBMUJFWSA-N 1 1 381.889 2.992 20 10 GFCDMO Cc1cc(Br)c([O-])c(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c1 ZINC000841087347 661232073 /nfs/dbraw/zinc/23/20/73/661232073.db2.gz KWFBMBMVKJBBSW-UHFFFAOYSA-N 1 1 382.346 2.769 20 10 GFCDMO COc1cc(Br)cc(CN2CCC[N@@H+](C[C@@H]3CCCO3)CC2)c1O ZINC000768252037 656235605 /nfs/dbraw/zinc/23/56/05/656235605.db2.gz UFTKRQBHXYCNKJ-INIZCTEOSA-N 1 1 399.329 2.850 20 10 GFCDMO CNC(=O)CCOC1CC[NH+](Cc2cc(C)cc(Br)c2O)CC1 ZINC000781910014 657088342 /nfs/dbraw/zinc/08/83/42/657088342.db2.gz SUUPXWWJLXQPDD-UHFFFAOYSA-N 1 1 385.302 2.580 20 10 GFCDMO NC(=O)C[N@@H+]1CCc2ccc(NCc3cc(Br)ccc3O)cc2C1 ZINC000788528370 657739683 /nfs/dbraw/zinc/73/96/83/657739683.db2.gz BKBSFJIGTWNPRS-UHFFFAOYSA-N 1 1 390.281 2.610 20 10 GFCDMO NC(=O)C[N@H+]1CCc2ccc(NCc3cc(Br)ccc3O)cc2C1 ZINC000788528370 657739689 /nfs/dbraw/zinc/73/96/89/657739689.db2.gz BKBSFJIGTWNPRS-UHFFFAOYSA-N 1 1 390.281 2.610 20 10 GFCDMO C[NH+]1CCN(c2ncc(C[NH2+]Cc3cc(Cl)cc(Cl)c3[O-])cn2)CC1 ZINC000809776002 659938775 /nfs/dbraw/zinc/93/87/75/659938775.db2.gz ONQUUNGUWFMUCV-UHFFFAOYSA-N 1 1 382.295 2.531 20 10 GFCDMO COCC[N@H+](Cc1cc(Br)cc(C)c1O)C[C@H](O)C(F)(F)F ZINC000848922209 661688821 /nfs/dbraw/zinc/68/88/21/661688821.db2.gz MMZUULYRBVVZFC-LBPRGKRZSA-N 1 1 386.208 2.835 20 10 GFCDMO O=S1(=O)CCN(c2ccc(C[NH2+][C@@H]3CCCc4scnc43)cc2)CC1 ZINC000858364273 662109751 /nfs/dbraw/zinc/10/97/51/662109751.db2.gz DWNLWUSHCKJHTC-MRXNPFEDSA-N 1 1 377.535 2.545 20 10 GFCDMO Cn1cc(Cl)c(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)n1 ZINC000860241885 662193401 /nfs/dbraw/zinc/19/34/01/662193401.db2.gz MZFHDWCPJHIPGF-CYBMUJFWSA-N 1 1 383.279 2.827 20 10 GFCDMO Cn1cc(Cl)c(C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)n1 ZINC000860241885 662193403 /nfs/dbraw/zinc/19/34/03/662193403.db2.gz MZFHDWCPJHIPGF-CYBMUJFWSA-N 1 1 383.279 2.827 20 10 GFCDMO Cn1ncc(I)c1C[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000894209173 663448716 /nfs/dbraw/zinc/44/87/16/663448716.db2.gz PFUSKAQEXXTZFI-UHFFFAOYSA-N 1 1 396.276 2.697 20 10 GFCDMO OCC1CCN(c2ccc(C[NH2+]Cc3nc(Br)c[nH]3)cc2)CC1 ZINC000921584268 664555486 /nfs/dbraw/zinc/55/54/86/664555486.db2.gz UKIKLNGGTJBZKV-UHFFFAOYSA-N 1 1 379.302 2.671 20 10 GFCDMO Cc1cc(Br)cc(C[N@H+]2CCCN(c3cccnn3)CC2)c1O ZINC000180077682 552212184 /nfs/dbraw/zinc/21/21/84/552212184.db2.gz VSSFAUMNTPGEKN-UHFFFAOYSA-N 1 1 377.286 2.965 20 10 GFCDMO Cn1cc([C@@H](O)C[C@@H]2CCC[N@H+]2Cc2cc(Br)ccc2O)cn1 ZINC000373168120 563330625 /nfs/dbraw/zinc/33/06/25/563330625.db2.gz TYXACOMNNYFAJE-RDJZCZTQSA-N 1 1 380.286 2.976 20 10 GFCDMO C[C@H]([NH2+]C[C@H]1CCN(S(=O)(=O)c2cccs2)C1)c1ccc(F)cc1O ZINC000375837668 563420436 /nfs/dbraw/zinc/42/04/36/563420436.db2.gz HGOPRYXTJGNVIV-QWHCGFSZSA-N 1 1 384.498 2.954 20 10 GFCDMO COc1cc(Br)cc(C[N@H+]2CC[C@]3(C2)CCCN(C)C3=O)c1O ZINC000364663009 563761070 /nfs/dbraw/zinc/76/10/70/563761070.db2.gz SSFQWWJEPDZBPO-KRWDZBQOSA-N 1 1 383.286 2.608 20 10 GFCDMO Oc1ccccc1C[N@@H+](CCOc1ccc(-c2nn[nH]n2)cc1)C[C@H]1CCCO1 ZINC000823731850 606752017 /nfs/dbraw/zinc/75/20/17/606752017.db2.gz FQYZCKQGMBDRPI-LJQANCHMSA-N 1 1 395.463 2.632 20 10 GFCDMO COCCCNC(=O)C[N@@H+](C)Cc1c(O)ccc2cc(Br)ccc21 ZINC000068960213 654970343 /nfs/dbraw/zinc/97/03/43/654970343.db2.gz RHYLBXFBGALBEU-UHFFFAOYSA-N 1 1 395.297 2.892 20 10 GFCDMO C[C@H]([NH2+]C[C@H]1CCCCS1(=O)=O)c1cc(Br)c(F)cc1O ZINC000757657975 655914846 /nfs/dbraw/zinc/91/48/46/655914846.db2.gz UWRUGVROLPMEHO-VHSXEESVSA-N 1 1 380.279 2.912 20 10 GFCDMO CC[N@@H+](CC[C@@H]1CCS(=O)(=O)C1)Cc1cc(Br)ccc1O ZINC000760841986 655993087 /nfs/dbraw/zinc/99/30/87/655993087.db2.gz UJOBFWOPOJYCMS-GFCCVEGCSA-N 1 1 376.316 2.801 20 10 GFCDMO OC[C@H]1C[N@H+](Cc2ccc(N3CCCCC3)c(Br)c2)CC[C@H]1O ZINC000840975809 661222804 /nfs/dbraw/zinc/22/28/04/661222804.db2.gz RFYRJTAADNCDTF-CRAIPNDOSA-N 1 1 383.330 2.615 20 10 GFCDMO OC[C@H]1C[N@@H+](Cc2ccc(N3CCCCC3)c(Br)c2)CC[C@H]1O ZINC000840975809 661222808 /nfs/dbraw/zinc/22/28/08/661222808.db2.gz RFYRJTAADNCDTF-CRAIPNDOSA-N 1 1 383.330 2.615 20 10 GFCDMO C[C@@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)c1cccnc1Cl ZINC000765979371 656156878 /nfs/dbraw/zinc/15/68/78/656156878.db2.gz RVDVSHNAOCSKSY-CQSZACIVSA-N 1 1 379.913 2.821 20 10 GFCDMO CCC[C@@H]1CN(C(=O)NCCCSc2nccs2)CC[N@H+]1CCOC ZINC000766819116 656184668 /nfs/dbraw/zinc/18/46/68/656184668.db2.gz OWTGBNBWGOCIIH-OAHLLOKOSA-N 1 1 386.587 2.768 20 10 GFCDMO COc1cc(Br)cc(C[N@H+](CCN(C)C)C[C@H]2CCCO2)c1O ZINC000809737606 659937780 /nfs/dbraw/zinc/93/77/80/659937780.db2.gz JOJWAWHENOCEQJ-OAHLLOKOSA-N 1 1 387.318 2.706 20 10 GFCDMO COc1cc(Br)cc(C[N@@H+](CCN(C)C)C[C@H]2CCCO2)c1O ZINC000809737606 659937785 /nfs/dbraw/zinc/93/77/85/659937785.db2.gz JOJWAWHENOCEQJ-OAHLLOKOSA-N 1 1 387.318 2.706 20 10 GFCDMO C[C@@H]([NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)c1cccc(C(F)(F)F)c1O ZINC000815625599 660126767 /nfs/dbraw/zinc/12/67/67/660126767.db2.gz HXACEDMWOVKKPJ-NEPJUHHUSA-N 1 1 380.432 2.876 20 10 GFCDMO COc1ccc(N2CCC[N@H+](Cc3cn(C)nc3Br)CC2)cc1 ZINC000862232133 662275222 /nfs/dbraw/zinc/27/52/22/662275222.db2.gz QLZCOIASQHMBRE-UHFFFAOYSA-N 1 1 379.302 2.904 20 10 GFCDMO COc1ccc(N2CCC[N@@H+](Cc3cn(C)nc3Br)CC2)cc1 ZINC000862232133 662275226 /nfs/dbraw/zinc/27/52/26/662275226.db2.gz QLZCOIASQHMBRE-UHFFFAOYSA-N 1 1 379.302 2.904 20 10 GFCDMO Cn1ccnc1[C@H](O)[C@@H]1CCC[N@@H+](Cc2c(O)cccc2Br)C1 ZINC000862253534 662278225 /nfs/dbraw/zinc/27/82/25/662278225.db2.gz OWIBDXJQXBOQAV-MLGOLLRUSA-N 1 1 380.286 2.834 20 10 GFCDMO O=C(NCC(F)(F)F)[C@@H]1CC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000862333496 662281238 /nfs/dbraw/zinc/28/12/38/662281238.db2.gz SHYVDRGVKFSPNX-SECBINFHSA-N 1 1 381.192 2.655 20 10 GFCDMO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@@H+](Cc2c(O)cccc2Br)C1 ZINC000862383200 662284072 /nfs/dbraw/zinc/28/40/72/662284072.db2.gz MVXCMECPKDCXEO-QWHCGFSZSA-N 1 1 375.266 2.936 20 10 GFCDMO CN(Cc1cccs1)c1ccc(C[N@@H+]2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)cc1 ZINC000897618532 663613952 /nfs/dbraw/zinc/61/39/52/663613952.db2.gz UYWHMPNTLKIHDO-CALCHBBNSA-N 1 1 376.547 2.861 20 10 GFCDMO CN(C)c1ccc([C@@H](C[NH2+]Cc2cn(C)nc2Br)N(C)C)cc1 ZINC000898447724 663649970 /nfs/dbraw/zinc/64/99/70/663649970.db2.gz KWNKBEGTIQQZLD-MRXNPFEDSA-N 1 1 380.334 2.641 20 10 GFCDMO O=C(NCC1CCOCC1)[C@@H]1CCC[N@H+]1Cc1cc(Br)ccc1O ZINC000370294327 563239674 /nfs/dbraw/zinc/23/96/74/563239674.db2.gz NWHBGVUNISUEDD-INIZCTEOSA-N 1 1 397.313 2.662 20 10 GFCDMO O=C(NCC1CCOCC1)[C@@H]1CCC[N@@H+]1Cc1cc(Br)ccc1O ZINC000370294327 563239677 /nfs/dbraw/zinc/23/96/77/563239677.db2.gz NWHBGVUNISUEDD-INIZCTEOSA-N 1 1 397.313 2.662 20 10 GFCDMO CCN(CC)c1ccc(C[N@H+](C)CC(=O)Nc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000736532002 599099866 /nfs/dbraw/zinc/09/98/66/599099866.db2.gz OVVSHANVJIJVQO-UHFFFAOYSA-N 1 1 393.495 2.783 20 10 GFCDMO CCN(CC)c1ccc(C[N@@H+](C)CC(=O)Nc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000736532002 599099869 /nfs/dbraw/zinc/09/98/69/599099869.db2.gz OVVSHANVJIJVQO-UHFFFAOYSA-N 1 1 393.495 2.783 20 10 GFCDMO Cc1cccc2c(NCc3ccc(N(C)C)c(F)c3)c(-c3nn[nH]n3)c[nH+]c12 ZINC000822336416 599503435 /nfs/dbraw/zinc/50/34/35/599503435.db2.gz PUGWQGRTLGAGEG-UHFFFAOYSA-N 1 1 377.427 2.962 20 10 GFCDMO C[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000824763752 608121944 /nfs/dbraw/zinc/12/19/44/608121944.db2.gz OWQDKLHSPRYENE-MRXNPFEDSA-N 1 1 378.480 2.896 20 10 GFCDMO COc1cc(Br)cc(C[N@H+]2CC[C@@H](CN3CCCC3=O)C2)c1O ZINC000827633843 660506098 /nfs/dbraw/zinc/50/60/98/660506098.db2.gz CSRLXMIAAVBICC-GFCCVEGCSA-N 1 1 383.286 2.608 20 10 GFCDMO CCC[N@H+](Cc1cc(Br)cc(OC)c1O)[C@H]1CCS(=O)(=O)C1 ZINC000161080059 655125495 /nfs/dbraw/zinc/12/54/95/655125495.db2.gz XRIJURSZLRUDPQ-ZDUSSCGKSA-N 1 1 392.315 2.562 20 10 GFCDMO CCC[N@@H+](Cc1cc(Br)cc(OC)c1O)[C@H]1CCS(=O)(=O)C1 ZINC000161080059 655125497 /nfs/dbraw/zinc/12/54/97/655125497.db2.gz XRIJURSZLRUDPQ-ZDUSSCGKSA-N 1 1 392.315 2.562 20 10 GFCDMO Cn1ncc(Br)c1C[NH2+]Cc1c(O)cccc1Br ZINC000706842580 655522209 /nfs/dbraw/zinc/52/22/09/655522209.db2.gz WOJNPHRYPZXQGJ-UHFFFAOYSA-N 1 1 375.064 2.941 20 10 GFCDMO Cc1cc(O)c(C[N@@H+](C)CCOc2ccc(S(N)(=O)=O)cc2)c(Cl)c1 ZINC000840950016 661216782 /nfs/dbraw/zinc/21/67/82/661216782.db2.gz IGQNQBZUGOXIPY-UHFFFAOYSA-N 1 1 384.885 2.512 20 10 GFCDMO [NH3+]CC[C@H](NCc1cc(Br)cc(Br)c1O)C(F)F ZINC000841072904 661231273 /nfs/dbraw/zinc/23/12/73/661231273.db2.gz CKRICHTZWPYYDD-VIFPVBQESA-N 1 1 388.050 2.989 20 10 GFCDMO CC[N@@H+](Cc1cc(Br)ccc1O)CC1(CS(C)(=O)=O)CC1 ZINC000767410920 656201911 /nfs/dbraw/zinc/20/19/11/656201911.db2.gz GZBPJPODEOYTTO-UHFFFAOYSA-N 1 1 376.316 2.801 20 10 GFCDMO Cc1cc(Br)c(O)c(C[NH2+]Cc2cccc(N3CCOCC3)n2)c1 ZINC000775360874 656632443 /nfs/dbraw/zinc/63/24/43/656632443.db2.gz DDXVOGLFWXXYHZ-UHFFFAOYSA-N 1 1 392.297 2.985 20 10 GFCDMO O=S(=O)(NCC[NH2+]Cc1cc(Cl)c(F)cc1O)c1cccc(Cl)c1 ZINC000816541848 660160697 /nfs/dbraw/zinc/16/06/97/660160697.db2.gz WCEKOJBZTNQEHR-UHFFFAOYSA-N 1 1 393.267 2.906 20 10 GFCDMO C[NH2+]CCOCC[N@@H+](C)Cc1cc(Br)cc(Br)c1[O-] ZINC000863646031 662342570 /nfs/dbraw/zinc/34/25/70/662342570.db2.gz AMHQRXCNOMNKKA-UHFFFAOYSA-N 1 1 396.123 2.585 20 10 GFCDMO Cn1cc(C[NH2+]Cc2ccc3c(c2)CCCN3C)c(I)n1 ZINC000894209119 663448767 /nfs/dbraw/zinc/44/87/67/663448767.db2.gz NRDMVMJWUCMYKW-UHFFFAOYSA-N 1 1 396.276 2.697 20 10 GFCDMO Cc1cc(Br)c(O)c(C[NH2+]C[C@@]2(c3cnn(C)c3)CCCO2)c1 ZINC000898056762 663631522 /nfs/dbraw/zinc/63/15/22/663631522.db2.gz NOQYXNZUFJQPIK-QGZVFWFLSA-N 1 1 380.286 2.992 20 10 GFCDMO Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](C)CN2CCN(C)CC2)c1O ZINC000187159062 552408178 /nfs/dbraw/zinc/40/81/78/552408178.db2.gz FCXFIGCLHXWYGK-HIFRSBDPSA-N 1 1 384.362 2.997 20 10 GFCDMO CN(C)C(=O)COc1ccccc1C[NH2+]Cc1cccc(Br)c1O ZINC000278435393 563255899 /nfs/dbraw/zinc/25/58/99/563255899.db2.gz UPZUQDPHMLUJTJ-UHFFFAOYSA-N 1 1 393.281 2.912 20 10 GFCDMO CCC[N@@H+](Cc1ccccc1O)[C@@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O ZINC000821109241 607454197 /nfs/dbraw/zinc/45/41/97/607454197.db2.gz DLYADLIERFXGFB-OAHLLOKOSA-N 1 1 398.492 2.651 20 10 GFCDMO CNS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccc(N(C)Cc3cccs3)cc2)C1 ZINC000823489922 660373484 /nfs/dbraw/zinc/37/34/84/660373484.db2.gz PVSAGBCMHYSZIA-SFHVURJKSA-N 1 1 379.551 2.508 20 10 GFCDMO C[N@@H+](Cc1c(O)ccc2cc(Br)ccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000014285148 654505696 /nfs/dbraw/zinc/50/56/96/654505696.db2.gz BVEXKVNECQAMIC-CYBMUJFWSA-N 1 1 384.295 2.927 20 10 GFCDMO C[N@@H+]1CCCC[C@@H]1CN1CCN(Cc2cccc(Br)c2O)CC1 ZINC000093147664 655017596 /nfs/dbraw/zinc/01/75/96/655017596.db2.gz CVJVSVAGCZQAKA-MRXNPFEDSA-N 1 1 382.346 2.757 20 10 GFCDMO C[N@H+]1CCCC[C@@H]1CN1CCN(Cc2cccc(Br)c2O)CC1 ZINC000093147664 655017600 /nfs/dbraw/zinc/01/76/00/655017600.db2.gz CVJVSVAGCZQAKA-MRXNPFEDSA-N 1 1 382.346 2.757 20 10 GFCDMO O=C(NC[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1)[C@H]1CCC[NH2+]1 ZINC000327195782 655385907 /nfs/dbraw/zinc/38/59/07/655385907.db2.gz GXGRIUYEADSQHZ-BLLLJJGKSA-N 1 1 386.323 2.779 20 10 GFCDMO C[C@H]([NH2+]CCS(=O)(=O)NC(C)(C)C)c1cc(Br)c(F)cc1O ZINC000756483442 655900492 /nfs/dbraw/zinc/90/04/92/655900492.db2.gz NUPGINSGRFFACZ-VIFPVBQESA-N 1 1 397.310 2.662 20 10 GFCDMO C[C@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)c1cccnc1Cl ZINC000765979367 656157016 /nfs/dbraw/zinc/15/70/16/656157016.db2.gz RVDVSHNAOCSKSY-AWEZNQCLSA-N 1 1 379.913 2.821 20 10 GFCDMO CC[N@@H+](CC(=O)N1CCOC[C@@H]1C1CC1)Cc1cc(Br)ccc1O ZINC000766247727 656166488 /nfs/dbraw/zinc/16/64/88/656166488.db2.gz IIDKOYDQDVFNFW-MRXNPFEDSA-N 1 1 397.313 2.614 20 10 GFCDMO COCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000769008504 656263245 /nfs/dbraw/zinc/26/32/45/656263245.db2.gz ZBRSQJAVNURZHX-QWHCGFSZSA-N 1 1 385.302 2.518 20 10 GFCDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)NCc2cc(Br)ccc2O)C1 ZINC000805199220 659755100 /nfs/dbraw/zinc/75/51/00/659755100.db2.gz YZHBJWCRSFQARG-ZDUSSCGKSA-N 1 1 384.318 2.932 20 10 GFCDMO COc1cc(Br)cc([C@H](C)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1O ZINC000848528161 661661511 /nfs/dbraw/zinc/66/15/11/661661511.db2.gz JHEVRFLWLJVBAO-YUTCNCBUSA-N 1 1 385.302 2.677 20 10 GFCDMO COc1cc(Br)cc([C@H](C)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1O ZINC000848528161 661661516 /nfs/dbraw/zinc/66/15/16/661661516.db2.gz JHEVRFLWLJVBAO-YUTCNCBUSA-N 1 1 385.302 2.677 20 10 GFCDMO Oc1cccc(Br)c1CNC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000858094099 662098317 /nfs/dbraw/zinc/09/83/17/662098317.db2.gz CZGGAQFQRLRZLZ-MRXNPFEDSA-N 1 1 391.309 2.664 20 10 GFCDMO Oc1cccc(Br)c1CNC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000858094099 662098318 /nfs/dbraw/zinc/09/83/18/662098318.db2.gz CZGGAQFQRLRZLZ-MRXNPFEDSA-N 1 1 391.309 2.664 20 10 GFCDMO Oc1c(F)cc(Br)cc1CN1CCN(CC[NH+]2CCCC2)CC1 ZINC000893909655 663431195 /nfs/dbraw/zinc/43/11/95/663431195.db2.gz RLIATLACBPGKNG-UHFFFAOYSA-N 1 1 386.309 2.507 20 10 GFCDMO CC[C@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cc(Br)ccc1[O-] ZINC000925857755 664676361 /nfs/dbraw/zinc/67/63/61/664676361.db2.gz QTOMRPFNLMAYRT-HIFRSBDPSA-N 1 1 397.313 2.881 20 10 GFCDMO CC[C@@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cc(Br)ccc1[O-] ZINC000925857757 664676386 /nfs/dbraw/zinc/67/63/86/664676386.db2.gz QTOMRPFNLMAYRT-UKRRQHHQSA-N 1 1 397.313 2.881 20 10 GFCDMO COc1c(O)c(C[NH2+]CCCCn2cc(Br)cn2)ccc1[N+](=O)[O-] ZINC000280646021 563347823 /nfs/dbraw/zinc/34/78/23/563347823.db2.gz RQAISSDHJCGGNL-UHFFFAOYSA-N 1 1 399.245 2.838 20 10 GFCDMO COc1cc(Br)cc(C[N@H+]2CC[C@@]3(C2)CCCN(C)C3=O)c1O ZINC000364663016 563760732 /nfs/dbraw/zinc/76/07/32/563760732.db2.gz SSFQWWJEPDZBPO-QGZVFWFLSA-N 1 1 383.286 2.608 20 10 GFCDMO C[C@H]([NH2+][C@@H]1CCN(CCN2CCOCC2)C1)c1cc(Cl)c(Cl)cc1O ZINC000365733762 563791604 /nfs/dbraw/zinc/79/16/04/563791604.db2.gz IQKGFKFFBFUVJB-UONOGXRCSA-N 1 1 388.339 2.756 20 10 GFCDMO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1ccc(Cl)nn1 ZINC000827095365 660478742 /nfs/dbraw/zinc/47/87/42/660478742.db2.gz FFLCSLLPPGMCEH-CYBMUJFWSA-N 1 1 381.263 2.883 20 10 GFCDMO O=C(N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)c1ccc(Cl)nn1 ZINC000827095365 660478745 /nfs/dbraw/zinc/47/87/45/660478745.db2.gz FFLCSLLPPGMCEH-CYBMUJFWSA-N 1 1 381.263 2.883 20 10 GFCDMO O=C(CSc1nncs1)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134262372 654988698 /nfs/dbraw/zinc/98/86/98/654988698.db2.gz NUWMGFAQEBRPNR-ZDUSSCGKSA-N 1 1 398.941 2.770 20 10 GFCDMO O=C(CSc1nncs1)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134262372 654988700 /nfs/dbraw/zinc/98/87/00/654988700.db2.gz NUWMGFAQEBRPNR-ZDUSSCGKSA-N 1 1 398.941 2.770 20 10 GFCDMO OC[C@H]1C[N@H+](Cc2ccc(N3CCCCC3)c(Br)c2)CC[C@@H]1O ZINC000840975815 661223364 /nfs/dbraw/zinc/22/33/64/661223364.db2.gz RFYRJTAADNCDTF-QAPCUYQASA-N 1 1 383.330 2.615 20 10 GFCDMO OC[C@H]1C[N@@H+](Cc2ccc(N3CCCCC3)c(Br)c2)CC[C@@H]1O ZINC000840975815 661223369 /nfs/dbraw/zinc/22/33/69/661223369.db2.gz RFYRJTAADNCDTF-QAPCUYQASA-N 1 1 383.330 2.615 20 10 GFCDMO Cc1cc(Br)c(O)c(C[N@@H+](C)C[C@H](O)COCCOC(C)C)c1 ZINC000781897052 657087043 /nfs/dbraw/zinc/08/70/43/657087043.db2.gz BYOOWWSBOZFUJJ-HNNXBMFYSA-N 1 1 390.318 2.697 20 10 GFCDMO Cc1cc(Br)c(O)c(C[N@H+](C)C[C@H](O)COCCOC(C)C)c1 ZINC000781897052 657087049 /nfs/dbraw/zinc/08/70/49/657087049.db2.gz BYOOWWSBOZFUJJ-HNNXBMFYSA-N 1 1 390.318 2.697 20 10 GFCDMO Cc1cc(S(=O)(=O)NCC[NH2+]Cc2c(O)ccc(Cl)c2F)c(C)s1 ZINC000790981887 658051615 /nfs/dbraw/zinc/05/16/15/658051615.db2.gz ABCMJGKPTVHJTK-UHFFFAOYSA-N 1 1 392.905 2.931 20 10 GFCDMO CCOc1ccc(O)c(C[NH2+][C@H](C(N)=O)c2cccc(Br)c2)c1 ZINC000793265405 658378440 /nfs/dbraw/zinc/37/84/40/658378440.db2.gz IQXIWCIXTAAYQX-INIZCTEOSA-N 1 1 379.254 2.870 20 10 GFCDMO O=C(NCc1cc(Br)ccc1O)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000804737098 659676909 /nfs/dbraw/zinc/67/69/09/659676909.db2.gz FEIWAQCTCCQCCN-MRXNPFEDSA-N 1 1 390.281 2.831 20 10 GFCDMO O=C(NCc1cc(Br)ccc1O)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000804737098 659676921 /nfs/dbraw/zinc/67/69/21/659676921.db2.gz FEIWAQCTCCQCCN-MRXNPFEDSA-N 1 1 390.281 2.831 20 10 GFCDMO COC(=O)CN(Cc1ncc(C[NH+](C)C)s1)Cc1cc(Cl)ccc1O ZINC000809572834 659932332 /nfs/dbraw/zinc/93/23/32/659932332.db2.gz UGNIOYZCPCGFLE-UHFFFAOYSA-N 1 1 383.901 2.739 20 10 GFCDMO C[C@H]([NH2+]C[C@H]1CCCCN1S(C)(=O)=O)c1cccc(C(F)(F)F)c1O ZINC000815625600 660126706 /nfs/dbraw/zinc/12/67/06/660126706.db2.gz HXACEDMWOVKKPJ-NWDGAFQWSA-N 1 1 380.432 2.876 20 10 GFCDMO O=C(NCc1cc(Br)ccc1O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000847447030 661592798 /nfs/dbraw/zinc/59/27/98/661592798.db2.gz MBFPREIQIZGGOT-HUUCEWRRSA-N 1 1 382.302 2.971 20 10 GFCDMO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2Cc1cc(Br)cc(F)c1O ZINC000894095527 663442113 /nfs/dbraw/zinc/44/21/13/663442113.db2.gz ROHHOYPKLQQPPZ-FVQBIDKESA-N 1 1 387.293 2.977 20 10 GFCDMO NC(=O)[C@@H]1C[N@H+](Cc2cccc(Br)c2O)C[C@H]1c1ccccc1 ZINC000895006267 663494674 /nfs/dbraw/zinc/49/46/74/663494674.db2.gz FULQIDYWBBTXLR-LSDHHAIUSA-N 1 1 375.266 2.856 20 10 GFCDMO NC(=O)[C@@H]1C[N@@H+](Cc2cccc(Br)c2O)C[C@H]1c1ccccc1 ZINC000895006267 663494678 /nfs/dbraw/zinc/49/46/78/663494678.db2.gz FULQIDYWBBTXLR-LSDHHAIUSA-N 1 1 375.266 2.856 20 10 GFCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@H]2CCc3ncc(Br)n3C2)c1 ZINC000903477546 663785269 /nfs/dbraw/zinc/78/52/69/663785269.db2.gz DCUAXRVAJYLEDL-PWSUYJOCSA-N 1 1 394.269 2.803 20 10 GFCDMO CN(C)c1ccc(C[N@H+](C)CC(=O)Nc2ccc(Br)cn2)cc1 ZINC000121494348 677399627 /nfs/dbraw/zinc/39/96/27/677399627.db2.gz GZKWYKADBQAEHD-UHFFFAOYSA-N 1 1 377.286 2.981 20 10 GFCDMO CN(C)c1ccc(C[N@@H+](C)CC(=O)Nc2ccc(Br)cn2)cc1 ZINC000121494348 677399630 /nfs/dbraw/zinc/39/96/30/677399630.db2.gz GZKWYKADBQAEHD-UHFFFAOYSA-N 1 1 377.286 2.981 20 10 GFCDMO COc1ccc(O)c(C[N@H+](C)CC(=O)Nc2ccc(Br)cn2)c1 ZINC000180025117 552210133 /nfs/dbraw/zinc/21/01/33/552210133.db2.gz YEYOQFAYESKRRB-UHFFFAOYSA-N 1 1 380.242 2.629 20 10 GFCDMO COc1ccc(O)c(C[N@@H+](C)CC(=O)Nc2ccc(Br)cn2)c1 ZINC000180025117 552210138 /nfs/dbraw/zinc/21/01/38/552210138.db2.gz YEYOQFAYESKRRB-UHFFFAOYSA-N 1 1 380.242 2.629 20 10 GFCDMO COc1cc(Br)cc(C[N@H+]2CCCC[C@H]2[C@@H]2CNC(=O)C2)c1O ZINC000360813303 563695170 /nfs/dbraw/zinc/69/51/70/563695170.db2.gz XSGYZKUCAIRJAR-FZMZJTMJSA-N 1 1 383.286 2.654 20 10 GFCDMO COc1cc(Br)cc(C[N@H+]2CCCC[C@H]2[C@H]2CNC(=O)C2)c1O ZINC000360813304 563695545 /nfs/dbraw/zinc/69/55/45/563695545.db2.gz XSGYZKUCAIRJAR-RISCZKNCSA-N 1 1 383.286 2.654 20 10 GFCDMO O=C(NCc1cc(Br)ccc1O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000528295212 564776081 /nfs/dbraw/zinc/77/60/81/564776081.db2.gz MMLFXWYJDUWEPN-HNNXBMFYSA-N 1 1 382.302 2.971 20 10 GFCDMO CNc1nc(C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)cs1 ZINC000123257442 654754543 /nfs/dbraw/zinc/75/45/43/654754543.db2.gz YYBVFIMAFMRDSP-ZDUSSCGKSA-N 1 1 380.901 2.938 20 10 GFCDMO CNc1nc(C(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)cs1 ZINC000123257442 654754546 /nfs/dbraw/zinc/75/45/46/654754546.db2.gz YYBVFIMAFMRDSP-ZDUSSCGKSA-N 1 1 380.901 2.938 20 10 GFCDMO C[C@@H]([NH2+]C[C@H]1CCCCS1(=O)=O)c1cc(Br)c(F)cc1O ZINC000757657971 655914869 /nfs/dbraw/zinc/91/48/69/655914869.db2.gz UWRUGVROLPMEHO-NXEZZACHSA-N 1 1 380.279 2.912 20 10 GFCDMO Cc1cc(Br)c(O)c(C[NH2+][C@@H]2CCCc3c2cnn3CCO)c1 ZINC000781628053 657067453 /nfs/dbraw/zinc/06/74/53/657067453.db2.gz HUKGJMVMDAATRX-OAHLLOKOSA-N 1 1 380.286 2.819 20 10 GFCDMO COc1cc(Br)cc([C@@H](C)[NH2+]Cc2nc(C(N)=O)cs2)c1O ZINC000850540060 661781090 /nfs/dbraw/zinc/78/10/90/661781090.db2.gz HWCHGSSTTZSIOU-SSDOTTSWSA-N 1 1 386.271 2.570 20 10 GFCDMO CCc1noc(C[C@@]2(O)CCC[N@@H+](Cc3cc(Br)ccc3O)C2)n1 ZINC000856593570 662037266 /nfs/dbraw/zinc/03/72/66/662037266.db2.gz UJXPEDGGBWGOGA-KRWDZBQOSA-N 1 1 396.285 2.670 20 10 GFCDMO Cn1nccc1C([NH2+]Cc1cc(Br)ccc1O)c1ccnn1C ZINC000858321554 662108062 /nfs/dbraw/zinc/10/80/62/662108062.db2.gz JEIWMSDKFWAXJP-UHFFFAOYSA-N 1 1 376.258 2.501 20 10 GFCDMO CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cccc(Br)c1[O-])C2 ZINC000922388072 664598178 /nfs/dbraw/zinc/59/81/78/664598178.db2.gz NZLLJDSYHSTWPA-JOCBIADPSA-N 1 1 383.330 2.724 20 10 GFCDMO CC[N@@H+](Cc1cc(Br)ccc1O)[C@H](C)C(=O)Nc1ncccn1 ZINC000157081903 551533157 /nfs/dbraw/zinc/53/31/57/551533157.db2.gz YUTQWDJUDYAISZ-LLVKDONJSA-N 1 1 379.258 2.794 20 10 GFCDMO Cc1cc(Br)cc(C[N@@H+]([C@@H](C)CS(C)(=O)=O)C2CC2)c1O ZINC000180244890 552219027 /nfs/dbraw/zinc/21/90/27/552219027.db2.gz KFIUZDWRROOQKK-NSHDSACASA-N 1 1 376.316 2.861 20 10 GFCDMO Cc1cc(Br)cc(C[N@H+]([C@@H](C)CS(C)(=O)=O)C2CC2)c1O ZINC000180244890 552219029 /nfs/dbraw/zinc/21/90/29/552219029.db2.gz KFIUZDWRROOQKK-NSHDSACASA-N 1 1 376.316 2.861 20 10 GFCDMO C[C@@H]([NH2+]C[C@H]1CCn2ncc(C(N)=O)c2C1)c1cc(Cl)c(Cl)cc1O ZINC000280857304 563358311 /nfs/dbraw/zinc/35/83/11/563358311.db2.gz BXKAVZAZTFHIAQ-ZJUUUORDSA-N 1 1 383.279 2.908 20 10 GFCDMO C[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(Br)cc1[O-] ZINC000368330699 563868892 /nfs/dbraw/zinc/86/88/92/563868892.db2.gz XRVTYYSJTYIBDJ-DZGCQCFKSA-N 1 1 382.346 2.974 20 10 GFCDMO Oc1ccccc1C[N@H+](Cc1ccco1)C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000823732405 606925947 /nfs/dbraw/zinc/92/59/47/606925947.db2.gz MDBUQEDWCCLOMV-HXUWFJFHSA-N 1 1 391.431 2.901 20 10 GFCDMO COc1cc(Br)cc(C[N@@H+]2CCC[C@H](OC(=O)N(C)C)C2)c1O ZINC000824615657 660398098 /nfs/dbraw/zinc/39/80/98/660398098.db2.gz KBHBUPKYPXSLKO-ZDUSSCGKSA-N 1 1 387.274 2.826 20 10 GFCDMO COc1cc(Br)cc(C[N@H+]2CCC[C@H](OC(=O)N(C)C)C2)c1O ZINC000824615657 660398100 /nfs/dbraw/zinc/39/81/00/660398100.db2.gz KBHBUPKYPXSLKO-ZDUSSCGKSA-N 1 1 387.274 2.826 20 10 GFCDMO C[N@H+](Cc1ccc(Br)cc1[O-])[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000825916172 660445455 /nfs/dbraw/zinc/44/54/55/660445455.db2.gz KBMPGZRPZZWNLP-KRWDZBQOSA-N 1 1 382.346 2.755 20 10 GFCDMO C[N@@H+](Cc1ccc(Br)cc1[O-])[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000825916172 660445456 /nfs/dbraw/zinc/44/54/56/660445456.db2.gz KBMPGZRPZZWNLP-KRWDZBQOSA-N 1 1 382.346 2.755 20 10 GFCDMO COc1cc(N2CC[NH+](Cc3cc(Br)cc(C)c3O)CC2)ncn1 ZINC000764676928 656116613 /nfs/dbraw/zinc/11/66/13/656116613.db2.gz OLWWMZGAZIKEDZ-UHFFFAOYSA-N 1 1 393.285 2.584 20 10 GFCDMO C[C@H]([NH2+]Cc1c(Br)cnn1C)c1ccc(N2CCOCC2)cc1 ZINC000785439299 657364564 /nfs/dbraw/zinc/36/45/64/657364564.db2.gz PGMCOZTYAUSLGI-ZDUSSCGKSA-N 1 1 379.302 2.870 20 10 GFCDMO COc1ccc(N2CC[NH+](CCNC(=S)Nc3ccsc3)CC2)cc1 ZINC000790309632 657950465 /nfs/dbraw/zinc/95/04/65/657950465.db2.gz ZOCMOKHAHVENGQ-UHFFFAOYSA-N 1 1 376.551 2.865 20 10 GFCDMO Cc1cc(Br)c(O)c(C[NH2+]C[C@H](N2CCOCC2)C(F)(F)F)c1 ZINC000796515823 658921661 /nfs/dbraw/zinc/92/16/61/658921661.db2.gz CPWONHFYFUUQFC-ZDUSSCGKSA-N 1 1 397.235 2.816 20 10 GFCDMO C[NH+](C)[C@H](CNC(=O)NCc1cc(Br)ccc1O)c1ccco1 ZINC000806295775 659829031 /nfs/dbraw/zinc/82/90/31/659829031.db2.gz SRTAQLLBWJKHRS-CYBMUJFWSA-N 1 1 382.258 2.850 20 10 GFCDMO O=S(=O)(c1ccccc1)N1CC[C@H]([NH2+]Cc2cc(Cl)c(F)cc2O)C1 ZINC000816612694 660162827 /nfs/dbraw/zinc/16/28/27/660162827.db2.gz WCZPEBQMJKCIGT-ZDUSSCGKSA-N 1 1 384.860 2.738 20 10 GFCDMO COc1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)sn1 ZINC000857159069 662066199 /nfs/dbraw/zinc/06/61/99/662066199.db2.gz MDFWZMRKMOXGHU-CYBMUJFWSA-N 1 1 381.885 2.905 20 10 GFCDMO COc1cc(C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)sn1 ZINC000857159069 662066201 /nfs/dbraw/zinc/06/62/01/662066201.db2.gz MDFWZMRKMOXGHU-CYBMUJFWSA-N 1 1 381.885 2.905 20 10 GFCDMO NC(=O)c1ccc(N2CC[NH+](Cc3c(O)cccc3Br)CC2)cc1 ZINC000862247023 662277102 /nfs/dbraw/zinc/27/71/02/662277102.db2.gz QLIYVODIUUXHOW-UHFFFAOYSA-N 1 1 390.281 2.576 20 10 GFCDMO C[C@H]([NH2+]Cc1c(I)cnn1C)c1cc(F)ccc1O ZINC000866631189 662485930 /nfs/dbraw/zinc/48/59/30/662485930.db2.gz IDVXQCSODZCVFC-QMMMGPOBSA-N 1 1 375.185 2.720 20 10 GFCDMO CC[N@@H+](Cc1ccc(S(N)(=O)=O)cc1)Cc1cc(Br)ccc1O ZINC000876794626 662866516 /nfs/dbraw/zinc/86/65/16/662866516.db2.gz YLSNYPBAKLGBIY-UHFFFAOYSA-N 1 1 399.310 2.824 20 10 GFCDMO C[N@H+](CCCO)C1CCN(Cc2cc(Br)cc(F)c2O)CC1 ZINC000894026639 663438319 /nfs/dbraw/zinc/43/83/19/663438319.db2.gz PWGMXDPWFUOPKO-UHFFFAOYSA-N 1 1 375.282 2.572 20 10 GFCDMO C[N@@H+](CCCO)C1CCN(Cc2cc(Br)cc(F)c2O)CC1 ZINC000894026639 663438320 /nfs/dbraw/zinc/43/83/20/663438320.db2.gz PWGMXDPWFUOPKO-UHFFFAOYSA-N 1 1 375.282 2.572 20 10 GFCDMO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1c([O-])cccc1Br)C2 ZINC000922391580 664598804 /nfs/dbraw/zinc/59/88/04/664598804.db2.gz WSCOWQPVCSNWHJ-VDHUWJSZSA-N 1 1 383.330 2.724 20 10 GFCDMO CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1c([O-])cccc1Br)C2 ZINC000922391580 664598806 /nfs/dbraw/zinc/59/88/06/664598806.db2.gz WSCOWQPVCSNWHJ-VDHUWJSZSA-N 1 1 383.330 2.724 20 10 GFCDMO CCS(=O)(=O)c1ccc(C[NH2+][C@H](C)c2cc(C(=O)OC)ccc2O)s1 ZINC000280299703 563331267 /nfs/dbraw/zinc/33/12/67/563331267.db2.gz ZUSILDIKKVLLEG-LLVKDONJSA-N 1 1 383.491 2.885 20 10 GFCDMO C[C@H]([NH2+]C[C@@H]1CCN(S(=O)(=O)c2cccs2)C1)c1ccc(F)cc1O ZINC000375837669 563420949 /nfs/dbraw/zinc/42/09/49/563420949.db2.gz HGOPRYXTJGNVIV-STQMWFEESA-N 1 1 384.498 2.954 20 10 GFCDMO CCN(CC)c1ccc(C[N@H+](C)CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000736531278 599099564 /nfs/dbraw/zinc/09/95/64/599099564.db2.gz DMBQWCVJRLCOEH-UHFFFAOYSA-N 1 1 393.495 2.783 20 10 GFCDMO CCN(CC)c1ccc(C[N@@H+](C)CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000736531278 599099568 /nfs/dbraw/zinc/09/95/68/599099568.db2.gz DMBQWCVJRLCOEH-UHFFFAOYSA-N 1 1 393.495 2.783 20 10 GFCDMO Oc1cc2c(cc1C[N@@H+]1CC=C(c3ccc(-c4nn[nH]n4)cc3)CC1)OCO2 ZINC000826510776 608489373 /nfs/dbraw/zinc/48/93/73/608489373.db2.gz JZPADUZEHDMPJJ-UHFFFAOYSA-N 1 1 377.404 2.590 20 10 GFCDMO COc1ccc(N2CCC[N@@H+](Cc3cccc(-c4nn[nH]n4)c3F)CC2)cc1 ZINC000826209295 608648599 /nfs/dbraw/zinc/64/85/99/608648599.db2.gz VSNQMBWALVGATJ-UHFFFAOYSA-N 1 1 382.443 2.727 20 10 GFCDMO COc1cc(Br)cc(C[N@H+]2CC[C@H]([C@H](O)C(F)(F)F)C2)c1O ZINC000825124018 660411701 /nfs/dbraw/zinc/41/17/01/660411701.db2.gz GKKNKSKSGOTRRH-SDBXPKJASA-N 1 1 384.192 2.908 20 10 GFCDMO C[N@H+]1CCCC[C@@H]1CN1CCN(Cc2cc(Br)ccc2O)CC1 ZINC000093146541 655017624 /nfs/dbraw/zinc/01/76/24/655017624.db2.gz DUICHHIHNXGZPN-QGZVFWFLSA-N 1 1 382.346 2.757 20 10 GFCDMO CC[N@H+](Cc1cc(Br)ccc1O)CC1CCS(=O)(=O)CC1 ZINC000271200787 655070165 /nfs/dbraw/zinc/07/01/65/655070165.db2.gz FJVFZTXWYIIKBE-UHFFFAOYSA-N 1 1 376.316 2.801 20 10 GFCDMO Cn1ccnc1[C@@H](O)[C@H]1CCC[N@H+](Cc2cccc(Br)c2O)C1 ZINC000180652626 655329053 /nfs/dbraw/zinc/32/90/53/655329053.db2.gz ZLALTFWNNASGDO-BBRMVZONSA-N 1 1 380.286 2.834 20 10 GFCDMO Cn1ccnc1[C@@H](O)[C@H]1CCC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000180652626 655329055 /nfs/dbraw/zinc/32/90/55/655329055.db2.gz ZLALTFWNNASGDO-BBRMVZONSA-N 1 1 380.286 2.834 20 10 GFCDMO CC[N@H+](Cc1cc(Br)ccc1O)C[C@H](O)COC[C@H]1CCCO1 ZINC000247565374 655431754 /nfs/dbraw/zinc/43/17/54/655431754.db2.gz RFGZMUOTJVLHGA-JKSUJKDBSA-N 1 1 388.302 2.533 20 10 GFCDMO CC[C@H]([NH2+][C@H](C)c1cc(Br)c(F)cc1O)C(=O)N1CCOCC1 ZINC000756649245 655903552 /nfs/dbraw/zinc/90/35/52/655903552.db2.gz MUVZRBPUNWRWLE-YGRLFVJLSA-N 1 1 389.265 2.582 20 10 GFCDMO C[N@@H+](Cc1cccc(Br)c1[O-])[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000809740513 659937672 /nfs/dbraw/zinc/93/76/72/659937672.db2.gz BYNHIGVLRLSGDW-MRXNPFEDSA-N 1 1 382.346 2.755 20 10 GFCDMO O[C@@H]1CC[N@H+](C2CN(Cc3ccc(N4CCCCC4)c(Br)c3)C2)C1 ZINC000843423386 661380891 /nfs/dbraw/zinc/38/08/91/661380891.db2.gz CMNNNAIVPDGPCH-QGZVFWFLSA-N 1 1 394.357 2.690 20 10 GFCDMO COc1cc(C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)sn1 ZINC000857159070 662066217 /nfs/dbraw/zinc/06/62/17/662066217.db2.gz MDFWZMRKMOXGHU-ZDUSSCGKSA-N 1 1 381.885 2.905 20 10 GFCDMO COc1cc(C(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)sn1 ZINC000857159070 662066220 /nfs/dbraw/zinc/06/62/20/662066220.db2.gz MDFWZMRKMOXGHU-ZDUSSCGKSA-N 1 1 381.885 2.905 20 10 GFCDMO COCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](Cc2c(O)cccc2Br)C1 ZINC000862232217 662275089 /nfs/dbraw/zinc/27/50/89/662275089.db2.gz UFCKETWJMSJXSB-STQMWFEESA-N 1 1 385.302 2.518 20 10 GFCDMO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cc(Br)ccc1[O-])C2 ZINC000922389374 664598509 /nfs/dbraw/zinc/59/85/09/664598509.db2.gz UBOTWWDXUIQNEE-NRSFXHEJSA-N 1 1 383.330 2.724 20 10 GFCDMO CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cc(Br)ccc1[O-])C2 ZINC000922389374 664598510 /nfs/dbraw/zinc/59/85/10/664598510.db2.gz UBOTWWDXUIQNEE-NRSFXHEJSA-N 1 1 383.330 2.724 20 10 GFCDMO C[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(Br)cc1[O-] ZINC000368330700 563868850 /nfs/dbraw/zinc/86/88/50/563868850.db2.gz XRVTYYSJTYIBDJ-HIFRSBDPSA-N 1 1 382.346 2.974 20 10 GFCDMO CCOc1ccc(C[N@H+]2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)c(O)c1 ZINC000825638858 608849414 /nfs/dbraw/zinc/84/94/14/608849414.db2.gz QEEHJVUCQPPKMA-LJQANCHMSA-N 1 1 381.436 2.545 20 10 GFCDMO COc1cc(Br)cc(C[N@H+]2C[C@H](O)C[C@@H]2[C@@H]2CCCOC2)c1O ZINC000824653756 660398810 /nfs/dbraw/zinc/39/88/10/660398810.db2.gz HEILJAHALIBFMZ-KCPJHIHWSA-N 1 1 386.286 2.525 20 10 GFCDMO COc1cc(Br)cc(C[NH2+][C@@H](c2nccn2C)C(C)(C)CO)c1O ZINC000824672759 660399019 /nfs/dbraw/zinc/39/90/19/660399019.db2.gz ICEZEJJXERALFC-HNNXBMFYSA-N 1 1 398.301 2.746 20 10 GFCDMO NC(=O)c1ccc(N2CC[NH+](Cc3ccc(Br)cc3O)CC2)cc1 ZINC000824835887 660403284 /nfs/dbraw/zinc/40/32/84/660403284.db2.gz BNTBKFQIZMLZCO-UHFFFAOYSA-N 1 1 390.281 2.576 20 10 GFCDMO Cn1ccnc1[C@@H](O)[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2O)C1 ZINC000824926090 660405377 /nfs/dbraw/zinc/40/53/77/660405377.db2.gz BJPZRCDLRALJKA-BBRMVZONSA-N 1 1 380.286 2.834 20 10 GFCDMO Cn1cc([C@H](O)C[C@@H]2CCC[N@H+]2Cc2ccc(Br)cc2O)cn1 ZINC000824948224 660405716 /nfs/dbraw/zinc/40/57/16/660405716.db2.gz CKXGPVVPXWLQTD-DOTOQJQBSA-N 1 1 380.286 2.976 20 10 GFCDMO C[N@@H+](Cc1c(O)ccc2cc(Br)ccc21)[C@H]1CCS(=O)(=O)C1 ZINC000014285149 654505825 /nfs/dbraw/zinc/50/58/25/654505825.db2.gz BVEXKVNECQAMIC-ZDUSSCGKSA-N 1 1 384.295 2.927 20 10 GFCDMO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1Cc1cc(Br)cc(OC)c1O ZINC000092509861 655014022 /nfs/dbraw/zinc/01/40/22/655014022.db2.gz WOTSEJYHWYDVOI-AWEZNQCLSA-N 1 1 385.302 2.996 20 10 GFCDMO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1Cc1cc(Br)cc(OC)c1O ZINC000092509861 655014027 /nfs/dbraw/zinc/01/40/27/655014027.db2.gz WOTSEJYHWYDVOI-AWEZNQCLSA-N 1 1 385.302 2.996 20 10 GFCDMO O=C(NCC(F)(F)F)[C@H]1CC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000275151098 655219896 /nfs/dbraw/zinc/21/98/96/655219896.db2.gz SNWWWKUGFRUEHK-VIFPVBQESA-N 1 1 381.192 2.655 20 10 GFCDMO C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1cc(Br)c(F)cc1[O-] ZINC000756459552 655900308 /nfs/dbraw/zinc/90/03/08/655900308.db2.gz PFWJTIRMPXZDMT-NSHDSACASA-N 1 1 375.282 2.791 20 10 GFCDMO Cc1cc(Br)cc(C[NH+]2CCN(c3ncc(F)cn3)CC2)c1O ZINC000761225587 656003618 /nfs/dbraw/zinc/00/36/18/656003618.db2.gz JSFYTXQAPWKLKW-UHFFFAOYSA-N 1 1 381.249 2.714 20 10 GFCDMO CN(C)c1ccc([C@@H](N)C[NH2+]Cc2cnc3ccc(Br)cn23)cc1 ZINC000841042990 661229232 /nfs/dbraw/zinc/22/92/32/661229232.db2.gz NOOKYRVJLHBECC-KRWDZBQOSA-N 1 1 388.313 2.952 20 10 GFCDMO COc1cc(Br)cc(C[N@H+](C)CC(=O)NCc2ccco2)c1O ZINC000768193211 656234696 /nfs/dbraw/zinc/23/46/96/656234696.db2.gz FWXFXKUYZKNIOW-UHFFFAOYSA-N 1 1 383.242 2.505 20 10 GFCDMO COc1cc(Br)cc(C[N@@H+](C)CC(=O)NCc2ccco2)c1O ZINC000768193211 656234698 /nfs/dbraw/zinc/23/46/98/656234698.db2.gz FWXFXKUYZKNIOW-UHFFFAOYSA-N 1 1 383.242 2.505 20 10 GFCDMO Cc1nn(C)c(C[NH2+]Cc2ccc(N3CCOCC3)cc2)c1Br ZINC000790468507 657989169 /nfs/dbraw/zinc/98/91/69/657989169.db2.gz UPULRZIJPWADOC-UHFFFAOYSA-N 1 1 379.302 2.617 20 10 GFCDMO COc1ccc(C[NH2+]Cc2ncc(I)s2)c(O)c1 ZINC000809658195 659935918 /nfs/dbraw/zinc/93/59/18/659935918.db2.gz GYODZTCSIZWRBE-UHFFFAOYSA-N 1 1 376.219 2.752 20 10 GFCDMO COc1cc(Br)cc(C[N@H+](CCN(C)C)C[C@@H]2CCCO2)c1O ZINC000809737605 659937853 /nfs/dbraw/zinc/93/78/53/659937853.db2.gz JOJWAWHENOCEQJ-HNNXBMFYSA-N 1 1 387.318 2.706 20 10 GFCDMO COc1cc(Br)cc(C[N@@H+](CCN(C)C)C[C@@H]2CCCO2)c1O ZINC000809737605 659937854 /nfs/dbraw/zinc/93/78/54/659937854.db2.gz JOJWAWHENOCEQJ-HNNXBMFYSA-N 1 1 387.318 2.706 20 10 GFCDMO C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](C)c2ccc(Br)cc2[O-])CC1 ZINC000854231606 661919851 /nfs/dbraw/zinc/91/98/51/661919851.db2.gz MMYLGZNZVWPOMZ-ZDUSSCGKSA-N 1 1 398.345 2.796 20 10 GFCDMO O=S1(=O)Cc2ccccc2[C@H]([NH2+]Cc2cc(Br)ccc2O)C1 ZINC000857061717 662062117 /nfs/dbraw/zinc/06/21/17/662062117.db2.gz UQPOZHMCZRPMIZ-OAHLLOKOSA-N 1 1 382.279 2.914 20 10 GFCDMO CN1CCN(c2cc[nH+]cc2NCc2c(O)cccc2Br)CC1 ZINC000858154008 662102221 /nfs/dbraw/zinc/10/22/21/662102221.db2.gz WZKFMFAHJSEDEP-UHFFFAOYSA-N 1 1 377.286 2.914 20 10 GFCDMO O=S1(=O)CCN(c2ccc(C[NH2+][C@H]3CCCc4scnc43)cc2)CC1 ZINC000858364271 662109878 /nfs/dbraw/zinc/10/98/78/662109878.db2.gz DWNLWUSHCKJHTC-INIZCTEOSA-N 1 1 377.535 2.545 20 10 GFCDMO CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2c(O)cccc2Br)C1 ZINC000862399902 662285279 /nfs/dbraw/zinc/28/52/79/662285279.db2.gz GTUGEECIAKOBBX-CYBMUJFWSA-N 1 1 381.192 2.655 20 10 GFCDMO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1Cc1cc(Br)cc(F)c1O ZINC000894580770 663470119 /nfs/dbraw/zinc/47/01/19/663470119.db2.gz NECPTKDXKPTQEB-GFCCVEGCSA-N 1 1 387.293 2.979 20 10 GFCDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1Cc1cc(Br)cc(F)c1O ZINC000894580770 663470123 /nfs/dbraw/zinc/47/01/23/663470123.db2.gz NECPTKDXKPTQEB-GFCCVEGCSA-N 1 1 387.293 2.979 20 10 GFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H]2CCc3ncc(Br)n3C2)c1 ZINC000903477544 663785279 /nfs/dbraw/zinc/78/52/79/663785279.db2.gz DCUAXRVAJYLEDL-JQWIXIFHSA-N 1 1 394.269 2.803 20 10 GFCDMO Cc1cc(Br)cc(C[N@H+](C)Cc2ccccc2S(N)(=O)=O)c1O ZINC000293859645 563826254 /nfs/dbraw/zinc/82/62/54/563826254.db2.gz IFXYWVXVZYDQKU-UHFFFAOYSA-N 1 1 399.310 2.743 20 10 GFCDMO Cc1cc(Br)cc(C[N@@H+](C)Cc2ccccc2S(N)(=O)=O)c1O ZINC000293859645 563826256 /nfs/dbraw/zinc/82/62/56/563826256.db2.gz IFXYWVXVZYDQKU-UHFFFAOYSA-N 1 1 399.310 2.743 20 10 GFCDMO CCC[N@@H+](Cc1ccccc1O)[C@H](C)C(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000821109205 607453786 /nfs/dbraw/zinc/45/37/86/607453786.db2.gz CLKWLTAYNFKICZ-CQSZACIVSA-N 1 1 380.452 2.812 20 10 GFCDMO C[NH+]1CCC(N2CCC([NH2+]Cc3ccc(Br)cc3[O-])CC2)CC1 ZINC000825174117 660413135 /nfs/dbraw/zinc/41/31/35/660413135.db2.gz XYHUMWGTRYFLNF-UHFFFAOYSA-N 1 1 382.346 2.803 20 10 GFCDMO C[N@H+](Cc1ccc(Br)cc1[O-])[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000825916173 660445492 /nfs/dbraw/zinc/44/54/92/660445492.db2.gz KBMPGZRPZZWNLP-QGZVFWFLSA-N 1 1 382.346 2.755 20 10 GFCDMO C[N@@H+](Cc1ccc(Br)cc1[O-])[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000825916173 660445494 /nfs/dbraw/zinc/44/54/94/660445494.db2.gz KBMPGZRPZZWNLP-QGZVFWFLSA-N 1 1 382.346 2.755 20 10 GFCDMO COc1cc(Br)cc(CN2CCC([N@H+]3CCO[C@H](C)C3)CC2)c1O ZINC000092078924 655011732 /nfs/dbraw/zinc/01/17/32/655011732.db2.gz VHRPVSCPMNPWMZ-CYBMUJFWSA-N 1 1 399.329 2.848 20 10 GFCDMO COc1cc(Br)cc(C[NH+]2CCC(N3CCO[C@H](C)C3)CC2)c1O ZINC000092078924 655011734 /nfs/dbraw/zinc/01/17/34/655011734.db2.gz VHRPVSCPMNPWMZ-CYBMUJFWSA-N 1 1 399.329 2.848 20 10 GFCDMO C[N@@H+]1CCCC[C@H]1CN1CCN(Cc2cccc(Br)c2O)CC1 ZINC000093147665 655017700 /nfs/dbraw/zinc/01/77/00/655017700.db2.gz CVJVSVAGCZQAKA-INIZCTEOSA-N 1 1 382.346 2.757 20 10 GFCDMO C[N@H+]1CCCC[C@H]1CN1CCN(Cc2cccc(Br)c2O)CC1 ZINC000093147665 655017704 /nfs/dbraw/zinc/01/77/04/655017704.db2.gz CVJVSVAGCZQAKA-INIZCTEOSA-N 1 1 382.346 2.757 20 10 GFCDMO CNc1ncc(C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)s1 ZINC000764856144 656121608 /nfs/dbraw/zinc/12/16/08/656121608.db2.gz SHBUHRVYVKYXGY-ZDUSSCGKSA-N 1 1 380.901 2.938 20 10 GFCDMO CNc1ncc(C(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)s1 ZINC000764856144 656121612 /nfs/dbraw/zinc/12/16/12/656121612.db2.gz SHBUHRVYVKYXGY-ZDUSSCGKSA-N 1 1 380.901 2.938 20 10 GFCDMO CCOc1ccc(C[NH2+][C@H](C(N)=O)c2cccc(Br)c2)c(O)c1 ZINC000793264618 658378410 /nfs/dbraw/zinc/37/84/10/658378410.db2.gz CUXNONJQHRVJDZ-INIZCTEOSA-N 1 1 379.254 2.870 20 10 GFCDMO CCOc1ccc(O)c(C[NH2+][C@@H](C(N)=O)c2cccc(Br)c2)c1 ZINC000793265406 658378697 /nfs/dbraw/zinc/37/86/97/658378697.db2.gz IQXIWCIXTAAYQX-MRXNPFEDSA-N 1 1 379.254 2.870 20 10 GFCDMO Cc1cc(N(C)C)ccc1C[NH2+]Cc1c(I)cnn1C ZINC000877776409 662883366 /nfs/dbraw/zinc/88/33/66/662883366.db2.gz JFKPCDUUOLLNJT-UHFFFAOYSA-N 1 1 384.265 2.689 20 10 GFCDMO [O-]c1c(Br)cc(Cl)cc1C[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000882916765 663044900 /nfs/dbraw/zinc/04/49/00/663044900.db2.gz WLDXONJUYPWRPB-UHFFFAOYSA-N 1 1 377.710 2.745 20 10 GFCDMO COc1cc(Br)cc(C[NH+]2CCC(Oc3cnccn3)CC2)c1O ZINC000369682096 563221160 /nfs/dbraw/zinc/22/11/60/563221160.db2.gz RBGRASUMRBVWMW-UHFFFAOYSA-N 1 1 394.269 2.997 20 10 GFCDMO Cn1ncc(Br)c1C[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000278336157 563251049 /nfs/dbraw/zinc/25/10/49/563251049.db2.gz GIXMXMHWZPEMRE-UHFFFAOYSA-N 1 1 393.329 2.681 20 10 GFCDMO CC[N@@H+](CCNC(=O)c1cc(C)n(-c2ccc(-c3nn[nH]n3)cc2)c1C)C(C)C ZINC000736536547 598618786 /nfs/dbraw/zinc/61/87/86/598618786.db2.gz LPWKJUUOUUHWSF-UHFFFAOYSA-N 1 1 395.511 2.734 20 10 GFCDMO Oc1ccc2ccncc2c1C[N@H+]1CCO[C@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000826511237 608055096 /nfs/dbraw/zinc/05/50/96/608055096.db2.gz HUYNTCFBPYFXCV-FQEVSTJZSA-N 1 1 388.431 2.694 20 10 GFCDMO Cc1nn(-c2ccccc2)c(C[N@H+](C)Cc2ccccc2O)c1-c1nn[nH]n1 ZINC000826332041 608317327 /nfs/dbraw/zinc/31/73/27/608317327.db2.gz IBMVDLLGSPZTHN-UHFFFAOYSA-N 1 1 375.436 2.698 20 10 GFCDMO CCOc1ccc(C[N@H+]2CCCN(c3ccccc3-c3nn[nH]n3)CC2)c(O)c1 ZINC000825638319 608584775 /nfs/dbraw/zinc/58/47/75/608584775.db2.gz JPISTWCAQHPUCW-UHFFFAOYSA-N 1 1 394.479 2.683 20 10 GFCDMO COc1ccc(N2CCC([NH2+]Cc3nn(C)cc3Br)CC2)cc1 ZINC000824780628 660401856 /nfs/dbraw/zinc/40/18/56/660401856.db2.gz XGEQSZXFKHXVPH-UHFFFAOYSA-N 1 1 379.302 2.950 20 10 GFCDMO CCN(Cc1cc(Br)ccc1O)C(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000124456257 654776234 /nfs/dbraw/zinc/77/62/34/654776234.db2.gz QUDRITVACFVPQB-AWEZNQCLSA-N 1 1 387.343 2.941 20 10 GFCDMO CCOC(=O)N[C@@H]1CCC[N@H+](Cc2cc(Br)cc(OC)c2O)C1 ZINC000153964199 655072284 /nfs/dbraw/zinc/07/22/84/655072284.db2.gz TYEBJQXJQVRGOZ-CYBMUJFWSA-N 1 1 387.274 2.874 20 10 GFCDMO CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Br)cc(OC)c2O)C1 ZINC000153964199 655072285 /nfs/dbraw/zinc/07/22/85/655072285.db2.gz TYEBJQXJQVRGOZ-CYBMUJFWSA-N 1 1 387.274 2.874 20 10 GFCDMO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)c1O ZINC000275147454 655219594 /nfs/dbraw/zinc/21/95/94/655219594.db2.gz XBFHLGQLQZLDBN-SNVBAGLBSA-N 1 1 378.778 2.749 20 10 GFCDMO C[N@H+]1C[C@H]2CN(Cc3cc(Br)cc(Br)c3O)C[C@H]2C1 ZINC000194542551 655416113 /nfs/dbraw/zinc/41/61/13/655416113.db2.gz PTRLCNDYAWNEFO-PHIMTYICSA-N 1 1 390.119 2.911 20 10 GFCDMO C[N@@H+]1C[C@H]2CN(Cc3cc(Br)cc(Br)c3O)C[C@H]2C1 ZINC000194542551 655416114 /nfs/dbraw/zinc/41/61/14/655416114.db2.gz PTRLCNDYAWNEFO-PHIMTYICSA-N 1 1 390.119 2.911 20 10 GFCDMO O=S1(=O)CCN(c2ccc(C[NH2+]Cc3csc(C4CC4)n3)cc2)CC1 ZINC000733330947 655612860 /nfs/dbraw/zinc/61/28/60/655612860.db2.gz UQGSDJCSJFKKBI-UHFFFAOYSA-N 1 1 377.535 2.545 20 10 GFCDMO CCN1CCN(C(=O)[C@@H](C)[N@@H+](CC)Cc2cc(Br)ccc2O)CC1 ZINC000743870880 655732193 /nfs/dbraw/zinc/73/21/93/655732193.db2.gz FPDRAJFVLQGKSI-CQSZACIVSA-N 1 1 398.345 2.529 20 10 GFCDMO COCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000769008506 656263091 /nfs/dbraw/zinc/26/30/91/656263091.db2.gz ZBRSQJAVNURZHX-STQMWFEESA-N 1 1 385.302 2.518 20 10 GFCDMO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000769008500 656263168 /nfs/dbraw/zinc/26/31/68/656263168.db2.gz ZBRSQJAVNURZHX-CHWSQXEVSA-N 1 1 385.302 2.518 20 10 GFCDMO COc1cc(Br)cc(C[N@H+]2CCC[C@@H](c3nnc(C)[nH]3)C2)c1O ZINC000770346943 656316651 /nfs/dbraw/zinc/31/66/51/656316651.db2.gz CSYUDBIHYKQLCP-LLVKDONJSA-N 1 1 381.274 2.969 20 10 GFCDMO COc1cc(Br)cc(C[N@@H+]2CCC[C@@H](c3nc(C)n[nH]3)C2)c1O ZINC000770346943 656316654 /nfs/dbraw/zinc/31/66/54/656316654.db2.gz CSYUDBIHYKQLCP-LLVKDONJSA-N 1 1 381.274 2.969 20 10 GFCDMO COc1cc(Br)cc(C[N@H+]2CCC[C@@H](c3nc(C)n[nH]3)C2)c1O ZINC000770346943 656316657 /nfs/dbraw/zinc/31/66/57/656316657.db2.gz CSYUDBIHYKQLCP-LLVKDONJSA-N 1 1 381.274 2.969 20 10 GFCDMO COc1cc(Br)cc(C[N@@H+]2CCC[C@@H](c3n[nH]c(C)n3)C2)c1O ZINC000770346943 656316660 /nfs/dbraw/zinc/31/66/60/656316660.db2.gz CSYUDBIHYKQLCP-LLVKDONJSA-N 1 1 381.274 2.969 20 10 GFCDMO COc1cc(Br)cc(C[N@H+]2CCC[C@@H](c3n[nH]c(C)n3)C2)c1O ZINC000770346943 656316663 /nfs/dbraw/zinc/31/66/63/656316663.db2.gz CSYUDBIHYKQLCP-LLVKDONJSA-N 1 1 381.274 2.969 20 10 GFCDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NCCCSc1nccs1 ZINC000787282620 657537506 /nfs/dbraw/zinc/53/75/06/657537506.db2.gz LHACABURCKUMCS-CQSZACIVSA-N 1 1 384.571 2.520 20 10 GFCDMO C[C@H]([NH2+][C@@H](C)C1(S(C)(=O)=O)CC1)c1cc(Br)c(F)cc1O ZINC000797069852 658973820 /nfs/dbraw/zinc/97/38/20/658973820.db2.gz LUQDWNPXHRNTHT-IUCAKERBSA-N 1 1 380.279 2.910 20 10 GFCDMO O=C(NCc1cc(Br)ccc1O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000805364460 659769159 /nfs/dbraw/zinc/76/91/59/659769159.db2.gz MCFFMDLXXCXTMX-OAHLLOKOSA-N 1 1 382.302 2.971 20 10 GFCDMO COc1cc(Br)cc(C[N@H+]2CCC[C@@H](N3CCOCC3)CC2)c1O ZINC000848929826 661689431 /nfs/dbraw/zinc/68/94/31/661689431.db2.gz JROBPVFGLUIMJA-MRXNPFEDSA-N 1 1 399.329 2.850 20 10 GFCDMO COc1cc(Br)cc(CN2CCC[C@@H]([NH+]3CCOCC3)CC2)c1O ZINC000848929826 661689434 /nfs/dbraw/zinc/68/94/34/661689434.db2.gz JROBPVFGLUIMJA-MRXNPFEDSA-N 1 1 399.329 2.850 20 10 GFCDMO COc1ccc(N2CC[NH+](Cc3c(O)cccc3Br)CC2)nc1 ZINC000862390849 662284692 /nfs/dbraw/zinc/28/46/92/662284692.db2.gz HGZWCKAVMIMWOE-UHFFFAOYSA-N 1 1 378.270 2.881 20 10 GFCDMO C[NH+](C)Cc1cc(NC(=O)NCc2cc(Br)ccc2O)ccn1 ZINC000880612431 662964085 /nfs/dbraw/zinc/96/40/85/662964085.db2.gz HNFBMXTUPYEIJO-UHFFFAOYSA-N 1 1 379.258 2.933 20 10 GFCDMO Oc1c(F)cc(Br)cc1C[NH2+]C[C@@H](O)C(F)(F)C(F)(F)F ZINC000883368587 663054077 /nfs/dbraw/zinc/05/40/77/663054077.db2.gz UMLHUOBJGPTLCR-MRVPVSSYSA-N 1 1 382.098 2.942 20 10 GFCDMO CN(C)c1ccc([C@@H](C[NH2+]Cc2c(Br)cnn2C)N(C)C)cc1 ZINC000898449598 663650044 /nfs/dbraw/zinc/65/00/44/663650044.db2.gz HXJASUCARCVMTF-MRXNPFEDSA-N 1 1 380.334 2.641 20 10 GFCDMO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1nccnc1Cl ZINC000907061257 663998230 /nfs/dbraw/zinc/99/82/30/663998230.db2.gz UDHMDKTWYPCMDV-ZDUSSCGKSA-N 1 1 381.263 2.883 20 10 GFCDMO O=C(N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)c1nccnc1Cl ZINC000907061257 663998233 /nfs/dbraw/zinc/99/82/33/663998233.db2.gz UDHMDKTWYPCMDV-ZDUSSCGKSA-N 1 1 381.263 2.883 20 10 GFCDMO Cn1ncc(I)c1C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922319642 664594665 /nfs/dbraw/zinc/59/46/65/664594665.db2.gz IXSYNOUEYCMMDX-UHFFFAOYSA-N 1 1 383.233 2.640 20 10 GFCDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NCc1cccc(Br)c1O ZINC000277698695 563221312 /nfs/dbraw/zinc/22/13/12/563221312.db2.gz HNIBNEABGQCVEV-NSHDSACASA-N 1 1 381.274 2.795 20 10 GFCDMO CC(C)C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cc2c(cc1O)OC[C@H]2O ZINC000824262053 608544914 /nfs/dbraw/zinc/54/49/14/608544914.db2.gz VHBCNOBXZRUCPL-LJQANCHMSA-N 1 1 395.463 2.656 20 10 GFCDMO Cc1cc(C(=O)Cn2nnnc2C[NH3+])c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000830456677 660657968 /nfs/dbraw/zinc/65/79/68/660657968.db2.gz URHTWVKJYGERHZ-UHFFFAOYSA-N 1 1 379.251 2.729 20 10 GFCDMO COCCN1CC[N@H+](Cc2c(O)ccc3cc(Br)ccc32)CC1=O ZINC000768467764 656239546 /nfs/dbraw/zinc/23/95/46/656239546.db2.gz HWZLHLHRWVYODQ-UHFFFAOYSA-N 1 1 393.281 2.599 20 10 GFCDMO COCCN1CC[N@@H+](Cc2c(O)ccc3cc(Br)ccc32)CC1=O ZINC000768467764 656239547 /nfs/dbraw/zinc/23/95/47/656239547.db2.gz HWZLHLHRWVYODQ-UHFFFAOYSA-N 1 1 393.281 2.599 20 10 GFCDMO Cn1cc([C@H](O)C[C@@H]2CCC[N@@H+]2Cc2cccc(Br)c2O)cn1 ZINC000770385843 656317922 /nfs/dbraw/zinc/31/79/22/656317922.db2.gz LBTIRCAYQLWWSZ-GOEBONIOSA-N 1 1 380.286 2.976 20 10 GFCDMO Cn1cc([C@H](O)C[C@@H]2CCC[N@H+]2Cc2cccc(Br)c2O)cn1 ZINC000770385843 656317926 /nfs/dbraw/zinc/31/79/26/656317926.db2.gz LBTIRCAYQLWWSZ-GOEBONIOSA-N 1 1 380.286 2.976 20 10 GFCDMO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2cc(Br)cc(C)c2O)C1 ZINC000775664150 656662034 /nfs/dbraw/zinc/66/20/34/656662034.db2.gz UAOPRAFQZYQZEQ-ZIAGYGMSSA-N 1 1 399.329 2.826 20 10 GFCDMO Cc1cc(Br)cc(C[NH+]2CCN(c3nccnc3C)CC2)c1O ZINC000799736202 659218139 /nfs/dbraw/zinc/21/81/39/659218139.db2.gz YZRPHFMMMCIJPT-UHFFFAOYSA-N 1 1 377.286 2.884 20 10 GFCDMO O=C(NCc1cc(Br)ccc1O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000847447028 661592540 /nfs/dbraw/zinc/59/25/40/661592540.db2.gz MBFPREIQIZGGOT-GJZGRUSLSA-N 1 1 382.302 2.971 20 10 GFCDMO Cc1cc(Br)cc(C)c1NC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000860460552 662201682 /nfs/dbraw/zinc/20/16/82/662201682.db2.gz XIVFTBDMOURPMF-AWEZNQCLSA-N 1 1 397.317 2.527 20 10 GFCDMO Cc1cc(Br)cc(C[NH2+]Cc2nnc(C3CCOCC3)[nH]2)c1O ZINC000877677000 662881604 /nfs/dbraw/zinc/88/16/04/662881604.db2.gz LCYURNITTGNLLK-UHFFFAOYSA-N 1 1 381.274 2.765 20 10 GFCDMO CC[C@@H](c1ccccc1O)[N@H+]1C[C@@H](C(F)(F)F)[C@H](S(=O)(=O)N(C)C)C1 ZINC000377711158 563484303 /nfs/dbraw/zinc/48/43/03/563484303.db2.gz YUWCKENORRRJHH-VNHYZAJKSA-N 1 1 380.432 2.597 20 10 GFCDMO C[N@@H+](CCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)Cc1ccccc1O ZINC000736792110 598617951 /nfs/dbraw/zinc/61/79/51/598617951.db2.gz JLTNCFSSEJAKQI-UHFFFAOYSA-N 1 1 386.843 2.686 20 10 GFCDMO Oc1cc2c(cc1C[N@H+]1CCCN(c3ccccc3-c3nn[nH]n3)CC1)CCC2 ZINC000738398788 598723709 /nfs/dbraw/zinc/72/37/09/598723709.db2.gz YUABWEGHGULJMJ-UHFFFAOYSA-N 1 1 390.491 2.773 20 10 GFCDMO CCC[N@@H+](CC(=O)Nc1oc(C)c(C)c1-c1nn[nH]n1)Cc1ccccc1O ZINC000821088400 607453935 /nfs/dbraw/zinc/45/39/35/607453935.db2.gz MGRKBVOQNGGNQX-UHFFFAOYSA-N 1 1 384.440 2.633 20 10 GFCDMO COc1cc(Br)cc(C[N@H+]2C[C@H](O)C[C@H]2[C@H]2CCCOC2)c1O ZINC000824653755 660398839 /nfs/dbraw/zinc/39/88/39/660398839.db2.gz HEILJAHALIBFMZ-GLQYFDAESA-N 1 1 386.286 2.525 20 10 GFCDMO COc1cc(Br)cc(C[NH2+][C@H](c2nccn2C)C(C)(C)CO)c1O ZINC000824672760 660399051 /nfs/dbraw/zinc/39/90/51/660399051.db2.gz ICEZEJJXERALFC-OAHLLOKOSA-N 1 1 398.301 2.746 20 10 GFCDMO C[N@H+]1CCCC[C@H]1CN1CCN(Cc2ccc(Br)cc2O)CC1 ZINC000824726246 660399955 /nfs/dbraw/zinc/39/99/55/660399955.db2.gz RPSOGJXERHMQFJ-KRWDZBQOSA-N 1 1 382.346 2.757 20 10 GFCDMO COc1cc(Br)cc(C[N@H+]2CCCC[C@@H]2CN2CCOCC2)c1O ZINC000093011080 655016741 /nfs/dbraw/zinc/01/67/41/655016741.db2.gz GEPARDRFYOGXBF-MRXNPFEDSA-N 1 1 399.329 2.850 20 10 GFCDMO O=C(NCCCSc1nccs1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741220929 655703820 /nfs/dbraw/zinc/70/38/20/655703820.db2.gz VMXPEDWZAFUQOQ-INIZCTEOSA-N 1 1 377.535 2.643 20 10 GFCDMO O=C(NCCCSc1nccs1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741220929 655703821 /nfs/dbraw/zinc/70/38/21/655703821.db2.gz VMXPEDWZAFUQOQ-INIZCTEOSA-N 1 1 377.535 2.643 20 10 GFCDMO CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000745823875 655755267 /nfs/dbraw/zinc/75/52/67/655755267.db2.gz UMGCKXDYBKOZEI-CQSZACIVSA-N 1 1 382.302 2.923 20 10 GFCDMO C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1cc(Br)c(F)cc1[O-] ZINC000756459551 655900326 /nfs/dbraw/zinc/90/03/26/655900326.db2.gz PFWJTIRMPXZDMT-LLVKDONJSA-N 1 1 375.282 2.791 20 10 GFCDMO OC[C@@H]1C[N@H+](Cc2ccc(N3CCCCC3)c(Br)c2)CC[C@H]1O ZINC000840975812 661223317 /nfs/dbraw/zinc/22/33/17/661223317.db2.gz RFYRJTAADNCDTF-MAUKXSAKSA-N 1 1 383.330 2.615 20 10 GFCDMO OC[C@@H]1C[N@@H+](Cc2ccc(N3CCCCC3)c(Br)c2)CC[C@H]1O ZINC000840975812 661223324 /nfs/dbraw/zinc/22/33/24/661223324.db2.gz RFYRJTAADNCDTF-MAUKXSAKSA-N 1 1 383.330 2.615 20 10 GFCDMO COCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](Cc2cc(Br)cc(C)c2O)C1 ZINC000775664149 656661966 /nfs/dbraw/zinc/66/19/66/656661966.db2.gz UAOPRAFQZYQZEQ-UONOGXRCSA-N 1 1 399.329 2.826 20 10 GFCDMO Cc1cc(Br)c(O)c(C[N@@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)c1 ZINC000779195439 656904298 /nfs/dbraw/zinc/90/42/98/656904298.db2.gz FBJDTHSRGJVMPF-JTQLQIEISA-N 1 1 395.219 2.964 20 10 GFCDMO Cc1cc(Br)c(O)c(C[N@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)c1 ZINC000779195439 656904309 /nfs/dbraw/zinc/90/43/09/656904309.db2.gz FBJDTHSRGJVMPF-JTQLQIEISA-N 1 1 395.219 2.964 20 10 GFCDMO Cc1cc(Br)c(O)c(CN2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000781909574 657088302 /nfs/dbraw/zinc/08/83/02/657088302.db2.gz FFPMRXSQWAACAX-MRXNPFEDSA-N 1 1 382.346 2.675 20 10 GFCDMO O=C(NCC[NH+]1Cc2ccccc2C1)NCc1cc(Br)ccc1O ZINC000805015958 659716350 /nfs/dbraw/zinc/71/63/50/659716350.db2.gz FYAJZSDFWDEOBY-UHFFFAOYSA-N 1 1 390.281 2.970 20 10 GFCDMO CNC(=O)[C@H](CCSC)[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000806664097 659839464 /nfs/dbraw/zinc/83/94/64/659839464.db2.gz ZRKQSWAXVJUHLS-UFBFGSQYSA-N 1 1 379.295 2.812 20 10 GFCDMO CNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1cc(Br)cc(OC)c1O ZINC000809779783 659938904 /nfs/dbraw/zinc/93/89/04/659938904.db2.gz ZUANZYOYQSUMAH-CYBMUJFWSA-N 1 1 387.274 2.874 20 10 GFCDMO CNC(=O)OC[C@H]1CCCC[N@H+]1Cc1cc(Br)cc(OC)c1O ZINC000809779783 659938909 /nfs/dbraw/zinc/93/89/09/659938909.db2.gz ZUANZYOYQSUMAH-CYBMUJFWSA-N 1 1 387.274 2.874 20 10 GFCDMO CN(CC[NH2+]Cc1cc(Cl)c(F)cc1O)S(=O)(=O)c1ccc(F)cc1 ZINC000816598715 660162234 /nfs/dbraw/zinc/16/22/34/660162234.db2.gz NPXWYYAHGKMJBG-UHFFFAOYSA-N 1 1 390.839 2.734 20 10 GFCDMO COc1cc(Br)cc([C@H](C)[NH2+][C@H](C)c2nnnn2C2CC2)c1O ZINC000848546846 661662945 /nfs/dbraw/zinc/66/29/45/661662945.db2.gz 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COc1cc(C)cc(C[N@H+]2CCCN(c3ccccc3-c3nn[nH]n3)CC2)c1O ZINC000826178443 607846376 /nfs/dbraw/zinc/84/63/76/607846376.db2.gz YFSPIPUBOPYZDP-UHFFFAOYSA-N 1 1 394.479 2.602 20 10 GFCDMO CN(Cc1cccs1)c1ccc(C[N@H+]2CCC[C@@H]2CS(N)(=O)=O)cc1 ZINC000823453713 660372785 /nfs/dbraw/zinc/37/27/85/660372785.db2.gz XQCUEKHRQALCPK-QGZVFWFLSA-N 1 1 379.551 2.637 20 10 GFCDMO C[N@@H+](Cc1ccc(Br)cc1O)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000824807740 660402551 /nfs/dbraw/zinc/40/25/51/660402551.db2.gz HYEYRXLGOQYESQ-NSHDSACASA-N 1 1 381.192 2.750 20 10 GFCDMO C[N@H+]1CCCC[C@H]1CN1CCN(Cc2cc(Br)ccc2O)CC1 ZINC000093146545 655017473 /nfs/dbraw/zinc/01/74/73/655017473.db2.gz DUICHHIHNXGZPN-KRWDZBQOSA-N 1 1 382.346 2.757 20 10 GFCDMO CC(=O)NC[C@H]1C[N@@H+](Cc2c(O)ccc3cc(Br)ccc32)CCO1 ZINC000172169209 655156732 /nfs/dbraw/zinc/15/67/32/655156732.db2.gz RKAOVPFRBADYNS-HNNXBMFYSA-N 1 1 393.281 2.645 20 10 GFCDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)NCc2cccc(Br)c2O)C1 ZINC000277477263 655321753 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Cc1cc(Br)c(O)c(CN2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000781909567 657088360 /nfs/dbraw/zinc/08/83/60/657088360.db2.gz FFPMRXSQWAACAX-INIZCTEOSA-N 1 1 382.346 2.675 20 10 GFCDMO C[NH+](C)[C@@]1(CNC(=O)NCc2cc(Cl)cc(Cl)c2O)CCSC1 ZINC000805182043 659754584 /nfs/dbraw/zinc/75/45/84/659754584.db2.gz SNDNXACWGWSDBO-OAHLLOKOSA-N 1 1 378.325 2.936 20 10 GFCDMO Cc1cc(Cl)cc(C[N@@H+](C)CCOc2ccc(S(N)(=O)=O)cc2)c1O ZINC000816624724 660163468 /nfs/dbraw/zinc/16/34/68/660163468.db2.gz FUCGEJGGRANJLR-UHFFFAOYSA-N 1 1 384.885 2.512 20 10 GFCDMO COc1cc(Br)cc(C[N@H+]2CC[C@@H](Nc3ncccn3)C2)c1O ZINC000843416391 661380687 /nfs/dbraw/zinc/38/06/87/661380687.db2.gz RAIGZKOGZJIXQF-CYBMUJFWSA-N 1 1 379.258 2.640 20 10 GFCDMO CCc1noc(C[C@]2(O)CCC[N@@H+](Cc3cc(Br)ccc3O)C2)n1 ZINC000856593571 662037319 /nfs/dbraw/zinc/03/73/19/662037319.db2.gz UJXPEDGGBWGOGA-QGZVFWFLSA-N 1 1 396.285 2.670 20 10 GFCDMO C[C@@H]([NH2+]Cc1cn(C)nc1Br)c1ccc(N2CCOCC2)cc1 ZINC000858109243 662099237 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NC(=O)[C@H]1CCCN(Cc2cc(Br)cc(Br)c2[O-])C1 ZINC000183374214 552307171 /nfs/dbraw/zinc/30/71/71/552307171.db2.gz DYUIUVUFCLEKPS-QMMMGPOBSA-N 1 1 392.091 2.615 20 10 GFCDMO CS(=O)(=O)Nc1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000375778129 563417470 /nfs/dbraw/zinc/41/74/70/563417470.db2.gz IVYPUEHXPFBFBG-LLVKDONJSA-N 1 1 384.889 2.520 20 10 GFCDMO COc1cccc(C[NH2+]Cc2ncc(I)s2)c1O ZINC000289541668 563678183 /nfs/dbraw/zinc/67/81/83/563678183.db2.gz WUOSTTSVTVDEMG-UHFFFAOYSA-N 1 1 376.219 2.752 20 10 GFCDMO O=C(N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)c1ncncc1Cl ZINC000363725285 563731704 /nfs/dbraw/zinc/73/17/04/563731704.db2.gz NFRDGMUURRGQSZ-ZDUSSCGKSA-N 1 1 381.263 2.883 20 10 GFCDMO Cn1ccnc1[C@@](O)(CC[NH2+]Cc1cc(Cl)c(F)cc1O)C(F)(F)F ZINC000293663941 563820824 /nfs/dbraw/zinc/82/08/24/563820824.db2.gz PTOIIIFNFMLLEL-AWEZNQCLSA-N 1 1 381.757 2.848 20 10 GFCDMO C[C@@H](C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)[N@@H+](C)Cc1ccccc1O ZINC000735571546 598701425 /nfs/dbraw/zinc/70/14/25/598701425.db2.gz YQQYVGLPOGHYPN-NSHDSACASA-N 1 1 398.492 2.582 20 10 GFCDMO Oc1ccccc1C[N@@H+](CCOc1ccc(-c2nn[nH]n2)cc1)C[C@@H]1CCCO1 ZINC000823731849 606751891 /nfs/dbraw/zinc/75/18/91/606751891.db2.gz FQYZCKQGMBDRPI-IBGZPJMESA-N 1 1 395.463 2.632 20 10 GFCDMO CCOc1ccc(O)c(C[N@@H+](CCOC)Cc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000825643956 608566858 /nfs/dbraw/zinc/56/68/58/608566858.db2.gz YGRWOHHSTQXRRS-UHFFFAOYSA-N 1 1 383.452 2.620 20 10 GFCDMO COCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](Cc2ccc(Br)cc2O)C1 ZINC000824606244 660397970 /nfs/dbraw/zinc/39/79/70/660397970.db2.gz QBGRJNONPIQPPD-GXTWGEPZSA-N 1 1 385.302 2.518 20 10 GFCDMO OCC1(O)CC[NH+](Cc2ccc(N3CCCCC3)c(Br)c2)CC1 ZINC000827141371 660480661 /nfs/dbraw/zinc/48/06/61/660480661.db2.gz RSTNERFMDBTFJF-UHFFFAOYSA-N 1 1 383.330 2.759 20 10 GFCDMO CC[N@@H+](Cc1cc(Br)ccc1O)[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000174426563 655202241 /nfs/dbraw/zinc/20/22/41/655202241.db2.gz JVKCSNFNRIIYBO-HNNXBMFYSA-N 1 1 393.285 2.516 20 10 GFCDMO COc1cc(Cl)cc(C[N@@H+](C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)c1O ZINC000761183619 656002555 /nfs/dbraw/zinc/00/25/55/656002555.db2.gz OKSKYOLKCFIDPN-LLVKDONJSA-N 1 1 384.885 2.895 20 10 GFCDMO COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2cccc(Br)c2O)C1 ZINC000769008472 656263113 /nfs/dbraw/zinc/26/31/13/656263113.db2.gz YPGLMQJTQLEKNQ-GXTWGEPZSA-N 1 1 385.302 2.518 20 10 GFCDMO COCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000769008472 656263116 /nfs/dbraw/zinc/26/31/16/656263116.db2.gz YPGLMQJTQLEKNQ-GXTWGEPZSA-N 1 1 385.302 2.518 20 10 GFCDMO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)[C@H]1CSCCS1 ZINC000771055745 656338642 /nfs/dbraw/zinc/33/86/42/656338642.db2.gz DGLVCRCUHAXVBG-GDBMZVCRSA-N 1 1 386.970 2.975 20 10 GFCDMO O=C(N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)[C@H]1CSCCS1 ZINC000771055745 656338646 /nfs/dbraw/zinc/33/86/46/656338646.db2.gz DGLVCRCUHAXVBG-GDBMZVCRSA-N 1 1 386.970 2.975 20 10 GFCDMO C[C@@H]([NH2+]CCS(=O)(=O)CC1CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000773065186 656398214 /nfs/dbraw/zinc/39/82/14/656398214.db2.gz JRDRFEILAQFALT-CQSZACIVSA-N 1 1 386.945 2.652 20 10 GFCDMO Cc1cc(Br)c(O)c(C[NH2+]C[C@@H](N2CCOCC2)C(F)(F)F)c1 ZINC000796515822 658921538 /nfs/dbraw/zinc/92/15/38/658921538.db2.gz CPWONHFYFUUQFC-CYBMUJFWSA-N 1 1 397.235 2.816 20 10 GFCDMO C[C@@H]([NH2+]CC1(OCCO)CCOCC1)c1cc(Br)c(F)cc1O ZINC000800502440 659313516 /nfs/dbraw/zinc/31/35/16/659313516.db2.gz SMOGWHBPFFOOOD-LLVKDONJSA-N 1 1 392.265 2.503 20 10 GFCDMO COc1c(O)c(C[NH2+]C[C@H](O)c2cccc(Br)c2)ccc1[N+](=O)[O-] ZINC000800530067 659314690 /nfs/dbraw/zinc/31/46/90/659314690.db2.gz UNUKREIQMJKCQM-AWEZNQCLSA-N 1 1 397.225 2.895 20 10 GFCDMO CCS(=O)(=O)C1(C[NH2+][C@@H](C)c2cc(Br)c(F)cc2O)CC1 ZINC000850558687 661781691 /nfs/dbraw/zinc/78/16/91/661781691.db2.gz SUJUVRDNDWRTKN-VIFPVBQESA-N 1 1 380.279 2.912 20 10 GFCDMO CCc1noc(C[C@@]2(O)CCC[N@H+](Cc3cccc(Br)c3O)C2)n1 ZINC000856592888 662037206 /nfs/dbraw/zinc/03/72/06/662037206.db2.gz MXSRJAGPCLFGRN-KRWDZBQOSA-N 1 1 396.285 2.670 20 10 GFCDMO CCc1noc(C[C@@]2(O)CCC[N@@H+](Cc3cccc(Br)c3O)C2)n1 ZINC000856592888 662037209 /nfs/dbraw/zinc/03/72/09/662037209.db2.gz MXSRJAGPCLFGRN-KRWDZBQOSA-N 1 1 396.285 2.670 20 10 GFCDMO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](CNC(=O)C(F)(F)F)C2)c1O ZINC000291519361 563745892 /nfs/dbraw/zinc/74/58/92/563745892.db2.gz IYDLMSNPMJJVGE-JTQLQIEISA-N 1 1 380.794 2.945 20 10 GFCDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@@H](CNC(=O)C(F)(F)F)C2)c1O ZINC000291519361 563745895 /nfs/dbraw/zinc/74/58/95/563745895.db2.gz IYDLMSNPMJJVGE-JTQLQIEISA-N 1 1 380.794 2.945 20 10 GFCDMO COc1ccc(N2CCC[N@@H+](Cc3cc(-c4nn[nH]n4)ccc3OC)CC2)cc1 ZINC000826208945 607518075 /nfs/dbraw/zinc/51/80/75/607518075.db2.gz GVCLEOUNSWQGOV-UHFFFAOYSA-N 1 1 394.479 2.596 20 10 GFCDMO CN(C)c1ccc(C[N@H+]2CCCN(c3ccccc3-c3nn[nH]n3)CC2)cc1 ZINC000825879189 608584769 /nfs/dbraw/zinc/58/47/69/608584769.db2.gz JDBURFRJIWOVOW-UHFFFAOYSA-N 1 1 377.496 2.645 20 10 GFCDMO CCOc1ccc(O)c(C[N@H+]2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC000825643767 608853081 /nfs/dbraw/zinc/85/30/81/608853081.db2.gz UBVSUNAIRHNJSN-LJQANCHMSA-N 1 1 381.436 2.545 20 10 GFCDMO C[C@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(Br)cc1[O-] ZINC000817971303 660212705 /nfs/dbraw/zinc/21/27/05/660212705.db2.gz CDMBPRUKEWHATK-IINYFYTJSA-N 1 1 396.251 2.641 20 10 GFCDMO CC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1cc(Br)ccc1O ZINC000132330607 654934090 /nfs/dbraw/zinc/93/40/90/654934090.db2.gz QTLBLGRRUNQWJY-UHFFFAOYSA-N 1 1 396.241 2.747 20 10 GFCDMO C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cc(Br)c(F)cc1[O-] ZINC000756550389 655901712 /nfs/dbraw/zinc/90/17/12/655901712.db2.gz RGFWWCBSZXESNY-ZDUSSCGKSA-N 1 1 388.325 2.972 20 10 GFCDMO C[C@H]([NH2+]C[C@@H]1CC[C@@H](C(=O)N(C)C)O1)c1cc(Br)c(F)cc1O ZINC000756785557 655905129 /nfs/dbraw/zinc/90/51/29/655905129.db2.gz GCLLBSARBASNHD-YHAQOWFVSA-N 1 1 389.265 2.580 20 10 GFCDMO C[C@@H]([NH2+]C[C@H]1COC2(CCOCC2)O1)c1cc(Br)c(F)cc1O ZINC000756863646 655906150 /nfs/dbraw/zinc/90/61/50/655906150.db2.gz JIOXHNUQXQWWBU-MNOVXSKESA-N 1 1 390.249 2.867 20 10 GFCDMO CN(CC[NH2+]Cc1c(O)ccc(Cl)c1F)S(=O)(=O)c1ccc(F)cc1 ZINC000797880588 659062969 /nfs/dbraw/zinc/06/29/69/659062969.db2.gz YYSUSXQKESZHPD-UHFFFAOYSA-N 1 1 390.839 2.734 20 10 GFCDMO Cc1cc(Br)c(O)c(C[NH+]2CCC(CN3CCNC3=O)CC2)c1 ZINC000897583470 663612494 /nfs/dbraw/zinc/61/24/94/663612494.db2.gz VKFPYMXPOVMEDJ-UHFFFAOYSA-N 1 1 382.302 2.700 20 10 GFCDMO COC(=O)CCn1nc(C)c(C[NH2+]Cc2cccc(Br)c2O)c1C ZINC000278348051 563250787 /nfs/dbraw/zinc/25/07/87/563250787.db2.gz IIGZSKOBXNIMEE-UHFFFAOYSA-N 1 1 396.285 2.821 20 10 GFCDMO Cn1cc([C@H](O)C[C@@H]2CCC[N@H+]2Cc2cc(Br)ccc2O)cn1 ZINC000373168114 563330595 /nfs/dbraw/zinc/33/05/95/563330595.db2.gz TYXACOMNNYFAJE-DOTOQJQBSA-N 1 1 380.286 2.976 20 10 GFCDMO CC(C)n1nc2c(cc1=O)C[N@@H+](Cc1cc(Br)ccc1O)CC2 ZINC000360078226 563691425 /nfs/dbraw/zinc/69/14/25/563691425.db2.gz VVYPXTWIYJTCES-UHFFFAOYSA-N 1 1 378.270 2.851 20 10 GFCDMO CC(C)n1nc2c(cc1=O)C[N@H+](Cc1cc(Br)ccc1O)CC2 ZINC000360078226 563691429 /nfs/dbraw/zinc/69/14/29/563691429.db2.gz VVYPXTWIYJTCES-UHFFFAOYSA-N 1 1 378.270 2.851 20 10 GFCDMO Oc1ccccc1C[N@H+](Cc1ccc(F)cc1-c1nn[nH]n1)C[C@@H]1CCCO1 ZINC000738401223 598619244 /nfs/dbraw/zinc/61/92/44/598619244.db2.gz QEMYSGIJYGPLPR-KRWDZBQOSA-N 1 1 383.427 2.893 20 10 GFCDMO Cc1cc(C(=O)OCCn2cc[nH+]c2C)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000826331751 608253683 /nfs/dbraw/zinc/25/36/83/608253683.db2.gz WQALGFRQLUPBNE-UHFFFAOYSA-N 1 1 391.435 2.636 20 10 GFCDMO OCC1(CO)CC[N@H+](Cc2ccc(N3CCCCC3)c(Br)c2)C1 ZINC000827474654 660498489 /nfs/dbraw/zinc/49/84/89/660498489.db2.gz ICGGKFKCVYROSU-UHFFFAOYSA-N 1 1 383.330 2.616 20 10 GFCDMO OCC1(CO)CC[N@@H+](Cc2ccc(N3CCCCC3)c(Br)c2)C1 ZINC000827474654 660498500 /nfs/dbraw/zinc/49/85/00/660498500.db2.gz ICGGKFKCVYROSU-UHFFFAOYSA-N 1 1 383.330 2.616 20 10 GFCDMO COc1cc(Br)cc(C[N@H+]2CCC[C@@H](C(=O)NC(C)C)C2)c1O ZINC000827681056 660508675 /nfs/dbraw/zinc/50/86/75/660508675.db2.gz STDKDWRLHWESQA-GFCCVEGCSA-N 1 1 385.302 2.900 20 10 GFCDMO Cc1nnc(CC(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)s1 ZINC000830545417 660662766 /nfs/dbraw/zinc/66/27/66/660662766.db2.gz YOIQFHDMLVUEJX-AWEZNQCLSA-N 1 1 380.901 2.529 20 10 GFCDMO CC[N@H+](Cc1cc(Br)ccc1O)C[C@H](O)COC[C@@H]1CCCO1 ZINC000174424481 655201937 /nfs/dbraw/zinc/20/19/37/655201937.db2.gz RFGZMUOTJVLHGA-HOTGVXAUSA-N 1 1 388.302 2.533 20 10 GFCDMO CC[N@@H+](CC(=O)NCc1cccnc1)Cc1cc(Br)ccc1O ZINC000174423118 655202006 /nfs/dbraw/zinc/20/20/06/655202006.db2.gz FMQISILCFMFZNE-UHFFFAOYSA-N 1 1 378.270 2.688 20 10 GFCDMO CC[N@@H+](CC(=O)Nc1cc(C)nn1C)Cc1cc(Br)ccc1O ZINC000174424999 655202315 /nfs/dbraw/zinc/20/23/15/655202315.db2.gz MTLOWAFDNJDPHK-UHFFFAOYSA-N 1 1 381.274 2.657 20 10 GFCDMO COc1cc(Br)cc(C[N@H+]2CCC[C@H](C(=O)NCC3CC3)C2)c1O ZINC000179340888 655312905 /nfs/dbraw/zinc/31/29/05/655312905.db2.gz QGQMEEXCXGJJNT-ZDUSSCGKSA-N 1 1 397.313 2.902 20 10 GFCDMO C[C@H]([NH2+]C[C@H]1CC[C@@H](C(=O)N(C)C)O1)c1cc(Br)c(F)cc1O ZINC000756785556 655905161 /nfs/dbraw/zinc/90/51/61/655905161.db2.gz GCLLBSARBASNHD-WMFXKJRFSA-N 1 1 389.265 2.580 20 10 GFCDMO CC[NH+]1CCN(c2cccc(NS(=O)(=O)c3cncc(Cl)c3)c2)CC1 ZINC000769848943 656294946 /nfs/dbraw/zinc/29/49/46/656294946.db2.gz SQGFAOWQVJGLHS-UHFFFAOYSA-N 1 1 380.901 2.678 20 10 GFCDMO Cc1cc(Br)c(O)c(C[NH2+]CCC2CCS(=O)(=O)CC2)c1 ZINC000781634970 657067832 /nfs/dbraw/zinc/06/78/32/657067832.db2.gz CBMLGGANIYCQKG-UHFFFAOYSA-N 1 1 376.316 2.768 20 10 GFCDMO C[C@@H]([NH2+]Cc1c(I)cnn1C)c1cc(F)ccc1O ZINC000866631188 662485844 /nfs/dbraw/zinc/48/58/44/662485844.db2.gz IDVXQCSODZCVFC-MRVPVSSYSA-N 1 1 375.185 2.720 20 10 GFCDMO Cc1cc(Br)c(O)c(C[NH2+]CC2C[C@H]3CC[C@@H](C2)S3(=O)=O)c1 ZINC000873171354 662802757 /nfs/dbraw/zinc/80/27/57/662802757.db2.gz XHGPTYSKLREYLG-QXMXGUDHSA-N 1 1 388.327 2.909 20 10 GFCDMO CN(C)c1ccc([C@@H](CNCc2cc(Br)nn2C)[NH+](C)C)cc1 ZINC000898450692 663650000 /nfs/dbraw/zinc/65/00/00/663650000.db2.gz TUBXCGADJWOIMO-MRXNPFEDSA-N 1 1 380.334 2.641 20 10 GFCDMO O=C(NCc1cc(Cl)cc(Cl)c1O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000927636521 664713124 /nfs/dbraw/zinc/71/31/24/664713124.db2.gz YPLQLCWVOPKOLV-CQSZACIVSA-N 1 1 388.295 2.752 20 10 GFCDMO O=C(NCc1cc(Cl)cc(Cl)c1O)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000927636521 664713125 /nfs/dbraw/zinc/71/31/25/664713125.db2.gz YPLQLCWVOPKOLV-CQSZACIVSA-N 1 1 388.295 2.752 20 10 GFCDMO C[C@@H]([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)c1ccc(Br)cn1 ZINC000280586926 563344702 /nfs/dbraw/zinc/34/47/02/563344702.db2.gz TZEOLHHYVJXUIU-CYBMUJFWSA-N 1 1 391.313 2.877 20 10 GFCDMO C[C@H]([NH2+]C[C@@H]1CCn2ncc(C(N)=O)c2C1)c1cc(Cl)c(Cl)cc1O ZINC000280857300 563358048 /nfs/dbraw/zinc/35/80/48/563358048.db2.gz BXKAVZAZTFHIAQ-VHSXEESVSA-N 1 1 383.279 2.908 20 10 GFCDMO COc1cc(Br)cc(C[N@@H+]2C[C@@H](C)OC3(CCOCC3)C2)c1O ZINC000365790675 563793505 /nfs/dbraw/zinc/79/35/05/563793505.db2.gz UJYQNGZBTGNIMF-GFCCVEGCSA-N 1 1 386.286 2.933 20 10 GFCDMO COc1cc(Br)cc(C[N@H+]2C[C@@H](C)OC3(CCOCC3)C2)c1O ZINC000365790675 563793506 /nfs/dbraw/zinc/79/35/06/563793506.db2.gz UJYQNGZBTGNIMF-GFCCVEGCSA-N 1 1 386.286 2.933 20 10 GFCDMO Cc1cc(Br)c(O)c(C[NH2+][C@]2(CO)COc3ccccc3C2)c1 ZINC000527769384 564760723 /nfs/dbraw/zinc/76/07/23/564760723.db2.gz MXOUVGQIZMSALV-GOSISDBHSA-N 1 1 378.266 2.919 20 10 GFCDMO Oc1ccc(Cl)cc1CN1CCC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)o2)C1 ZINC000823732670 599440580 /nfs/dbraw/zinc/44/05/80/599440580.db2.gz NTIPZLPPRFWSLM-AWEZNQCLSA-N 1 1 388.859 2.573 20 10 GFCDMO C[N@@H+](Cc1ccc(Br)cc1O)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000824807738 660402504 /nfs/dbraw/zinc/40/25/04/660402504.db2.gz HYEYRXLGOQYESQ-LLVKDONJSA-N 1 1 381.192 2.750 20 10 GFCDMO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)Cc1cccc(Br)c1O ZINC000092585627 655014682 /nfs/dbraw/zinc/01/46/82/655014682.db2.gz QXXIUOUNALWMHD-NSHDSACASA-N 1 1 399.310 2.995 20 10 GFCDMO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)Cc1cccc(Br)c1O ZINC000092585627 655014683 /nfs/dbraw/zinc/01/46/83/655014683.db2.gz QXXIUOUNALWMHD-NSHDSACASA-N 1 1 399.310 2.995 20 10 GFCDMO CC(=O)NC[C@@H]1C[N@@H+](Cc2c(O)ccc3cc(Br)ccc32)CCO1 ZINC000172169206 655156744 /nfs/dbraw/zinc/15/67/44/655156744.db2.gz RKAOVPFRBADYNS-OAHLLOKOSA-N 1 1 393.281 2.645 20 10 GFCDMO COCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1cc(Br)c(F)cc1O)CC2 ZINC000756759728 655904873 /nfs/dbraw/zinc/90/48/73/655904873.db2.gz XUWHDKRVGQGVTL-NXEZZACHSA-N 1 1 399.264 2.697 20 10 GFCDMO COCCS(=O)(=O)c1ccc(C[NH2+]Cc2c(O)ccc(Cl)c2F)cc1 ZINC000758503941 655934324 /nfs/dbraw/zinc/93/43/24/655934324.db2.gz YFSHMFCDQCRKEA-UHFFFAOYSA-N 1 1 387.860 2.895 20 10 GFCDMO CN(C)c1ccc(C[NH2+][C@H](C(N)=O)c2cccc(Br)c2)cc1F ZINC000793266970 658378770 /nfs/dbraw/zinc/37/87/70/658378770.db2.gz RLLVFULFZXMBCJ-INIZCTEOSA-N 1 1 380.261 2.970 20 10 GFCDMO C[C@@H]([NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F)c1ccc(F)cc1O ZINC000799725778 659217182 /nfs/dbraw/zinc/21/71/82/659217182.db2.gz IRWAAYNAFKTKGO-SNVBAGLBSA-N 1 1 390.839 2.953 20 10 GFCDMO COc1cc(Br)cc(C[N@H+]2CC[C@H](Nc3ncccn3)C2)c1O ZINC000843416393 661380542 /nfs/dbraw/zinc/38/05/42/661380542.db2.gz RAIGZKOGZJIXQF-ZDUSSCGKSA-N 1 1 379.258 2.640 20 10 GFCDMO CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2cccc(Br)c2O)C1 ZINC000843432473 661381498 /nfs/dbraw/zinc/38/14/98/661381498.db2.gz MCJSJTRXWGUIOC-ZDUSSCGKSA-N 1 1 381.192 2.655 20 10 GFCDMO CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000843432473 661381501 /nfs/dbraw/zinc/38/15/01/661381501.db2.gz MCJSJTRXWGUIOC-ZDUSSCGKSA-N 1 1 381.192 2.655 20 10 GFCDMO COC(=O)[C@@H]1C[N@@H+](Cc2cc(Br)cc(OC)c2O)C[C@H]1C1CC1 ZINC000846121998 661533663 /nfs/dbraw/zinc/53/36/63/661533663.db2.gz FFZMTCWRFFQIEX-UONOGXRCSA-N 1 1 384.270 2.794 20 10 GFCDMO O=C(NCc1cc(Cl)cc(Cl)c1O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000852639373 661869381 /nfs/dbraw/zinc/86/93/81/661869381.db2.gz VGSYIONAQHMVAR-CQSZACIVSA-N 1 1 388.295 2.752 20 10 GFCDMO CCc1noc(C[C@]2(O)CCC[N@@H+](Cc3ccc(Br)cc3O)C2)n1 ZINC000856597076 662037648 /nfs/dbraw/zinc/03/76/48/662037648.db2.gz RZWSYDZGJMDXTO-QGZVFWFLSA-N 1 1 396.285 2.670 20 10 GFCDMO C[N@@H+]1CCC[C@H](N2CCN(Cc3cc(Br)cc(F)c3O)CC2)C1 ZINC000894014027 663437372 /nfs/dbraw/zinc/43/73/72/663437372.db2.gz HXAVUAVRGVWXFF-HNNXBMFYSA-N 1 1 386.309 2.506 20 10 GFCDMO C[N@H+]1CCC[C@H](N2CCN(Cc3cc(Br)cc(F)c3O)CC2)C1 ZINC000894014027 663437375 /nfs/dbraw/zinc/43/73/75/663437375.db2.gz HXAVUAVRGVWXFF-HNNXBMFYSA-N 1 1 386.309 2.506 20 10 GFCDMO NC(=O)[C@@]1(c2ccccc2)CC[N@H+](Cc2cccc(Br)c2O)C1 ZINC000895004776 663494690 /nfs/dbraw/zinc/49/46/90/663494690.db2.gz UGSYEAVMYUQVFL-SFHVURJKSA-N 1 1 375.266 2.784 20 10 GFCDMO NC(=O)[C@@]1(c2ccccc2)CC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000895004776 663494694 /nfs/dbraw/zinc/49/46/94/663494694.db2.gz UGSYEAVMYUQVFL-SFHVURJKSA-N 1 1 375.266 2.784 20 10 GFCDMO Cn1ncc(Br)c1C[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000278587969 563262655 /nfs/dbraw/zinc/26/26/55/563262655.db2.gz ZEQSQKVABBMTDX-UHFFFAOYSA-N 1 1 397.292 2.573 20 10 GFCDMO C[N@H+]1CCCC[C@H]1CN1CC[NH+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)CC1 ZINC000737516402 600426473 /nfs/dbraw/zinc/42/64/73/600426473.db2.gz AKVFWFICCYQLDW-SFHVURJKSA-N 1 1 397.519 2.846 20 10 GFCDMO CCOc1ccc(O)c(C[N@H+]2CCCN(c3ccccc3-c3nn[nH]n3)CC2)c1 ZINC000825643316 608584754 /nfs/dbraw/zinc/58/47/54/608584754.db2.gz LZKJRDCNIXPADT-UHFFFAOYSA-N 1 1 394.479 2.683 20 10 GFCDMO CN(Cc1cccs1)c1ccc(C[N@H+]2CC[C@H](NS(C)(=O)=O)C2)cc1 ZINC000823459124 660372817 /nfs/dbraw/zinc/37/28/17/660372817.db2.gz PNQHZZQOVKPWAH-INIZCTEOSA-N 1 1 379.551 2.508 20 10 GFCDMO C[N@H+]1CCCC[C@@H]1CN1CCN(Cc2ccc(Br)cc2O)CC1 ZINC000824726247 660399983 /nfs/dbraw/zinc/39/99/83/660399983.db2.gz RPSOGJXERHMQFJ-QGZVFWFLSA-N 1 1 382.346 2.757 20 10 GFCDMO Cn1ncc(Cl)c1C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000830544277 660662906 /nfs/dbraw/zinc/66/29/06/660662906.db2.gz NNAZAMUKZKQPOR-CYBMUJFWSA-N 1 1 383.279 2.827 20 10 GFCDMO COc1cc(Br)cc(C[N@@H+]2CCCN(C(=O)C(C)C)CC2)c1O ZINC000123532292 654758669 /nfs/dbraw/zinc/75/86/69/654758669.db2.gz BZXSFJPQXAIHJG-UHFFFAOYSA-N 1 1 385.302 2.854 20 10 GFCDMO COc1cc(Br)cc(C[N@H+]2CCCN(C(=O)C(C)C)CC2)c1O ZINC000123532292 654758672 /nfs/dbraw/zinc/75/86/72/654758672.db2.gz BZXSFJPQXAIHJG-UHFFFAOYSA-N 1 1 385.302 2.854 20 10 GFCDMO CC[N@@H+](CC(=O)NC(=O)NC(C)(C)C)Cc1cc(Br)ccc1O ZINC000174425331 655202378 /nfs/dbraw/zinc/20/23/78/655202378.db2.gz MSOSHQQBYIQYTK-UHFFFAOYSA-N 1 1 386.290 2.601 20 10 GFCDMO O=C(NCC(F)(F)F)[C@@H]1CC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000275151094 655219840 /nfs/dbraw/zinc/21/98/40/655219840.db2.gz SNWWWKUGFRUEHK-SECBINFHSA-N 1 1 381.192 2.655 20 10 GFCDMO COc1cc(Br)cc(C[N@@H+]2CCCN(C(=O)C3CC3)CC2)c1O ZINC000119068841 655288841 /nfs/dbraw/zinc/28/88/41/655288841.db2.gz REPZYCOEWXTOQB-UHFFFAOYSA-N 1 1 383.286 2.608 20 10 GFCDMO COc1cc(Br)cc(C[N@H+]2CCCN(C(=O)C3CC3)CC2)c1O ZINC000119068841 655288846 /nfs/dbraw/zinc/28/88/46/655288846.db2.gz REPZYCOEWXTOQB-UHFFFAOYSA-N 1 1 383.286 2.608 20 10 GFCDMO Fc1cc(CNc2cc[nH+]cc2Br)cc(F)c1N1CCOCC1 ZINC000840325902 661154988 /nfs/dbraw/zinc/15/49/88/661154988.db2.gz ODRKTAOFWGEQLU-UHFFFAOYSA-N 1 1 384.224 2.993 20 10 GFCDMO CCCCNC(=O)NC(=O)C[N@@H+](CC)Cc1cc(Br)ccc1O ZINC000743871028 655732457 /nfs/dbraw/zinc/73/24/57/655732457.db2.gz MZGGSCJIRQCZRO-UHFFFAOYSA-N 1 1 386.290 2.603 20 10 GFCDMO Cc1cc(Br)c(O)c(C[NH2+]CC2(S(C)(=O)=O)CCCC2)c1 ZINC000796514392 658921128 /nfs/dbraw/zinc/92/11/28/658921128.db2.gz AXMDQKNASQPEHT-UHFFFAOYSA-N 1 1 376.316 2.910 20 10 GFCDMO C[NH+](C)[C@@H](CNC(=O)NCc1cc(Br)ccc1O)c1ccco1 ZINC000806295776 659829062 /nfs/dbraw/zinc/82/90/62/659829062.db2.gz SRTAQLLBWJKHRS-ZDUSSCGKSA-N 1 1 382.258 2.850 20 10 GFCDMO O=C(NCc1cc(Cl)cc(Cl)c1O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892764401 663384190 /nfs/dbraw/zinc/38/41/90/663384190.db2.gz UJWGRRGMILIULP-CYBMUJFWSA-N 1 1 388.295 2.657 20 10 GFCDMO COCCN(C)c1ccc(C[NH2+]Cc2cccc(Br)c2O)cn1 ZINC000278379030 563252408 /nfs/dbraw/zinc/25/24/08/563252408.db2.gz LLIZOUVRNCKOOB-UHFFFAOYSA-N 1 1 380.286 2.922 20 10 GFCDMO CCN(Cc1cc(Br)ccc1O)C(=O)c1cc([C@H]2CC[NH2+]C2)[nH]n1 ZINC000279082101 563283153 /nfs/dbraw/zinc/28/31/53/563283153.db2.gz VGHGKMNDRTWVIZ-NSHDSACASA-N 1 1 393.285 2.617 20 10 GFCDMO COc1cc(Br)cc(C[N@H+]2CCCC[C@@H]2[C@H]2CNC(=O)C2)c1O ZINC000360813302 563695586 /nfs/dbraw/zinc/69/55/86/563695586.db2.gz XSGYZKUCAIRJAR-BXUZGUMPSA-N 1 1 383.286 2.654 20 10 GFCDMO COc1cc(Br)cc(C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)c1O ZINC000365557190 563786593 /nfs/dbraw/zinc/78/65/93/563786593.db2.gz QXEGJDPSOPXXIT-PRXAMGSTSA-N 1 1 386.286 2.932 20 10 GFCDMO CC(C)[N@@H+](CC(=O)Nc1ccc(-c2nn[nH]n2)cc1)Cc1ccc(N(C)C)cc1 ZINC000820112102 607363807 /nfs/dbraw/zinc/36/38/07/607363807.db2.gz JPJPORNJIIVYRG-UHFFFAOYSA-N 1 1 393.495 2.782 20 10 GFCDMO COc1ccc(N2CCC[N@@H+](Cc3ccc(F)c(-c4nn[nH]n4)c3)CC2)cc1 ZINC000821831602 606963422 /nfs/dbraw/zinc/96/34/22/606963422.db2.gz FRDIPWZUTOZQFV-UHFFFAOYSA-N 1 1 382.443 2.727 20 10 GFCDMO Oc1ccccc1C[N@H+](Cc1ccc(F)c(-c2nn[nH]n2)c1)C[C@@H]1CCCO1 ZINC000823732015 606973738 /nfs/dbraw/zinc/97/37/38/606973738.db2.gz IJYMDCFLTVTLMN-INIZCTEOSA-N 1 1 383.427 2.893 20 10 GFCDMO COc1cc(Br)cc(C[N@@H+]2CCC[C@@H](OC(=O)N(C)C)C2)c1O ZINC000824615655 660398069 /nfs/dbraw/zinc/39/80/69/660398069.db2.gz KBHBUPKYPXSLKO-CYBMUJFWSA-N 1 1 387.274 2.826 20 10 GFCDMO COc1cc(Br)cc(C[N@H+]2CCC[C@@H](OC(=O)N(C)C)C2)c1O ZINC000824615655 660398071 /nfs/dbraw/zinc/39/80/71/660398071.db2.gz KBHBUPKYPXSLKO-CYBMUJFWSA-N 1 1 387.274 2.826 20 10 GFCDMO Cn1nc(C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)cc1Cl ZINC000827095718 660478925 /nfs/dbraw/zinc/47/89/25/660478925.db2.gz LGLHZNAHLKOLFA-ZDUSSCGKSA-N 1 1 383.279 2.827 20 10 GFCDMO Cn1nc(C(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)cc1Cl ZINC000827095718 660478927 /nfs/dbraw/zinc/47/89/27/660478927.db2.gz LGLHZNAHLKOLFA-ZDUSSCGKSA-N 1 1 383.279 2.827 20 10 GFCDMO CC[N@@H+](Cc1cc(Br)ccc1O)[C@@H](C)C(=O)NC[C@H]1CCCO1 ZINC000247709467 655431960 /nfs/dbraw/zinc/43/19/60/655431960.db2.gz ZUVOMAAXOGIANK-SWLSCSKDSA-N 1 1 385.302 2.660 20 10 GFCDMO CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000745823874 655755312 /nfs/dbraw/zinc/75/53/12/655755312.db2.gz UMGCKXDYBKOZEI-AWEZNQCLSA-N 1 1 382.302 2.923 20 10 GFCDMO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1cncc(Cl)n1 ZINC000760858641 655993743 /nfs/dbraw/zinc/99/37/43/655993743.db2.gz IWCABDOIIRWMTB-CYBMUJFWSA-N 1 1 381.263 2.883 20 10 GFCDMO O=C(N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)c1cncc(Cl)n1 ZINC000760858641 655993744 /nfs/dbraw/zinc/99/37/44/655993744.db2.gz IWCABDOIIRWMTB-CYBMUJFWSA-N 1 1 381.263 2.883 20 10 GFCDMO O=C(NCc1cccc(Br)c1O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000764852841 656121183 /nfs/dbraw/zinc/12/11/83/656121183.db2.gz XMVKKFJRNSXXTN-CQSZACIVSA-N 1 1 382.302 2.971 20 10 GFCDMO Oc1c(Br)cccc1C[NH2+]C[C@H](N1CCOCC1)C(F)(F)F ZINC000796517676 658921570 /nfs/dbraw/zinc/92/15/70/658921570.db2.gz YLFYNJMFDRNCKV-LBPRGKRZSA-N 1 1 383.208 2.507 20 10 GFCDMO O=S(=O)(CCCCF)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000805010829 659713884 /nfs/dbraw/zinc/71/38/84/659713884.db2.gz MZOSJEVRMLAQLS-OAHLLOKOSA-N 1 1 378.897 2.679 20 10 GFCDMO O=S(=O)(CCCCF)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000805010829 659713889 /nfs/dbraw/zinc/71/38/89/659713889.db2.gz MZOSJEVRMLAQLS-OAHLLOKOSA-N 1 1 378.897 2.679 20 10 GFCDMO CN1CCN(c2ccc(C[N@H+](C)CCn3cc(Br)cn3)cc2)CC1 ZINC000809792786 659939357 /nfs/dbraw/zinc/93/93/57/659939357.db2.gz GYNQPDJUCSVBPQ-UHFFFAOYSA-N 1 1 392.345 2.529 20 10 GFCDMO CN1CCN(c2ccc(C[N@@H+](C)CCn3cc(Br)cn3)cc2)CC1 ZINC000809792786 659939358 /nfs/dbraw/zinc/93/93/58/659939358.db2.gz GYNQPDJUCSVBPQ-UHFFFAOYSA-N 1 1 392.345 2.529 20 10 GFCDMO O[C@@H]1C[C@H]2CN(Cc3ccc(N4CCCCC4)c(Br)c3)CC[N@H+]2C1 ZINC000848926597 661689385 /nfs/dbraw/zinc/68/93/85/661689385.db2.gz TYELHYJMQDVOSD-DLBZAZTESA-N 1 1 394.357 2.690 20 10 GFCDMO Oc1ccccc1C[N@@H+](C[C@H](O)c1cc(Br)no1)C[C@@H]1CCCO1 ZINC000878240978 662892223 /nfs/dbraw/zinc/89/22/23/662892223.db2.gz OPCKBVKRZJJNEJ-ZFWWWQNUSA-N 1 1 397.269 2.857 20 10 GFCDMO NC(=O)[C@]1(c2ccccc2)CC[N@H+](Cc2cccc(Br)c2O)C1 ZINC000895004775 663494840 /nfs/dbraw/zinc/49/48/40/663494840.db2.gz UGSYEAVMYUQVFL-GOSISDBHSA-N 1 1 375.266 2.784 20 10 GFCDMO NC(=O)[C@]1(c2ccccc2)CC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000895004775 663494843 /nfs/dbraw/zinc/49/48/43/663494843.db2.gz UGSYEAVMYUQVFL-GOSISDBHSA-N 1 1 375.266 2.784 20 10 GFCDMO C[C@H]([NH2+][C@H]1Cc2cc(Br)cnc2NC1=O)c1ccc(F)cc1O ZINC000903325694 663781887 /nfs/dbraw/zinc/78/18/87/663781887.db2.gz MDXVBBARROTGFJ-SDBXPKJASA-N 1 1 380.217 2.903 20 10 GFCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCc3ncc(Br)n3C2)c1 ZINC000903477548 663785220 /nfs/dbraw/zinc/78/52/20/663785220.db2.gz DCUAXRVAJYLEDL-ZYHUDNBSSA-N 1 1 394.269 2.803 20 10 GFCDMO C[N@H+](CC(=O)Nc1ccccc1Br)Cc1cc2c(cc1O)OCO2 ZINC000915827147 664441917 /nfs/dbraw/zinc/44/19/17/664441917.db2.gz ILHKTZGLESJVIK-UHFFFAOYSA-N 1 1 393.237 2.954 20 10 GFCDMO C[N@@H+](CC(=O)Nc1ccccc1Br)Cc1cc2c(cc1O)OCO2 ZINC000915827147 664441921 /nfs/dbraw/zinc/44/19/21/664441921.db2.gz ILHKTZGLESJVIK-UHFFFAOYSA-N 1 1 393.237 2.954 20 10 GFCDMO CCN1CCN([C@H]2CC[N@H+](Cc3cc(Br)cc(C)c3O)C2)CC1 ZINC000180068923 552211919 /nfs/dbraw/zinc/21/19/19/552211919.db2.gz YQLFYZSZJSSHNO-KRWDZBQOSA-N 1 1 382.346 2.675 20 10 GFCDMO CCN1CCN([C@H]2CC[N@@H+](Cc3cc(Br)cc(C)c3O)C2)CC1 ZINC000180068923 552211922 /nfs/dbraw/zinc/21/19/22/552211922.db2.gz YQLFYZSZJSSHNO-KRWDZBQOSA-N 1 1 382.346 2.675 20 10 GFCDMO CCn1nc2c(cc1=O)C[N@@H+](Cc1cc(Br)cc(C)c1O)CC2 ZINC000371418711 563277091 /nfs/dbraw/zinc/27/70/91/563277091.db2.gz QBUIMCASTKYITK-UHFFFAOYSA-N 1 1 378.270 2.598 20 10 GFCDMO CCn1nc2c(cc1=O)C[N@H+](Cc1cc(Br)cc(C)c1O)CC2 ZINC000371418711 563277092 /nfs/dbraw/zinc/27/70/92/563277092.db2.gz QBUIMCASTKYITK-UHFFFAOYSA-N 1 1 378.270 2.598 20 10 GFCDMO CS(=O)(=O)Nc1c[nH]nc1[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000375778137 563417538 /nfs/dbraw/zinc/41/75/38/563417538.db2.gz IVYPUEHXPFBFBG-NSHDSACASA-N 1 1 384.889 2.520 20 10 GFCDMO Oc1ccc(Cl)cc1CN1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)o2)C1 ZINC000823732672 599440829 /nfs/dbraw/zinc/44/08/29/599440829.db2.gz NTIPZLPPRFWSLM-CQSZACIVSA-N 1 1 388.859 2.573 20 10 GFCDMO Cc1ccc(O)c(C[N@H+]2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000826291844 608509309 /nfs/dbraw/zinc/50/93/09/608509309.db2.gz YPNGFMVJYJIXNX-UHFFFAOYSA-N 1 1 378.480 2.589 20 10 GFCDMO CN(Cc1cccs1)c1ccc(C[N@H+]2CCC[C@@H](S(N)(=O)=O)C2)cc1 ZINC000824161785 660386445 /nfs/dbraw/zinc/38/64/45/660386445.db2.gz PXXMFTVIZBSEKI-GOSISDBHSA-N 1 1 379.551 2.637 20 10 GFCDMO COCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cc2ccc(Br)cc2O)C1 ZINC000824606247 660397995 /nfs/dbraw/zinc/39/79/95/660397995.db2.gz QBGRJNONPIQPPD-OCCSQVGLSA-N 1 1 385.302 2.518 20 10 GFCDMO O=C(C[N@H+](Cc1ccc(Br)cc1O)C[C@@H]1CCCO1)N1CCCC1 ZINC000824869880 660403733 /nfs/dbraw/zinc/40/37/33/660403733.db2.gz IVJLDPRFFPEPEK-INIZCTEOSA-N 1 1 397.313 2.758 20 10 GFCDMO O=C(C[N@@H+](Cc1ccc(Br)cc1O)C[C@@H]1CCCO1)N1CCCC1 ZINC000824869880 660403734 /nfs/dbraw/zinc/40/37/34/660403734.db2.gz IVJLDPRFFPEPEK-INIZCTEOSA-N 1 1 397.313 2.758 20 10 GFCDMO C[C@@H]([NH2+]CCS(=O)(=O)C1CCOCC1)c1cccc(C(F)(F)F)c1O ZINC000834892561 660837300 /nfs/dbraw/zinc/83/73/00/660837300.db2.gz WIGUPJQORJIQND-LLVKDONJSA-N 1 1 381.416 2.655 20 10 GFCDMO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)Cc1cccc(Br)c1O ZINC000092585628 655014570 /nfs/dbraw/zinc/01/45/70/655014570.db2.gz QXXIUOUNALWMHD-LLVKDONJSA-N 1 1 399.310 2.995 20 10 GFCDMO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)Cc1cccc(Br)c1O ZINC000092585628 655014576 /nfs/dbraw/zinc/01/45/76/655014576.db2.gz QXXIUOUNALWMHD-LLVKDONJSA-N 1 1 399.310 2.995 20 10 GFCDMO CCCNC(=O)[C@@H]1CCC[N@@H+](Cc2cc(Br)cc(OC)c2O)C1 ZINC000092733837 655015198 /nfs/dbraw/zinc/01/51/98/655015198.db2.gz LUDWRKXVYHTNDC-GFCCVEGCSA-N 1 1 385.302 2.902 20 10 GFCDMO CCCNC(=O)[C@H]1CCC[N@@H+](Cc2cc(Br)cc(OC)c2O)C1 ZINC000092733838 655015281 /nfs/dbraw/zinc/01/52/81/655015281.db2.gz LUDWRKXVYHTNDC-LBPRGKRZSA-N 1 1 385.302 2.902 20 10 GFCDMO COc1cccc(C[N@H+](C)[C@H](C(N)=O)c2cccc(Br)c2)c1O ZINC000136964078 655037029 /nfs/dbraw/zinc/03/70/29/655037029.db2.gz IASYQPSPNRNGIW-HNNXBMFYSA-N 1 1 379.254 2.822 20 10 GFCDMO COc1cccc(C[N@@H+](C)[C@H](C(N)=O)c2cccc(Br)c2)c1O ZINC000136964078 655037032 /nfs/dbraw/zinc/03/70/32/655037032.db2.gz IASYQPSPNRNGIW-HNNXBMFYSA-N 1 1 379.254 2.822 20 10 GFCDMO Cc1cc(Br)cc(C[N@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)c1O ZINC000275127367 655218352 /nfs/dbraw/zinc/21/83/52/655218352.db2.gz JKNLBUFOGQBALG-SNVBAGLBSA-N 1 1 395.219 2.964 20 10 GFCDMO CC[N@H+](Cc1cc(Br)ccc1O)C[C@@H](O)COC[C@H]1CCCO1 ZINC000247565366 655431776 /nfs/dbraw/zinc/43/17/76/655431776.db2.gz RFGZMUOTJVLHGA-HZPDHXFCSA-N 1 1 388.302 2.533 20 10 GFCDMO [O-]c1c(Br)cccc1C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000702652546 655521625 /nfs/dbraw/zinc/52/16/25/655521625.db2.gz MARNAOGPRDELOB-LJQANCHMSA-N 1 1 391.309 2.881 20 10 GFCDMO [O-]c1c(Br)cccc1C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000702652546 655521626 /nfs/dbraw/zinc/52/16/26/655521626.db2.gz MARNAOGPRDELOB-LJQANCHMSA-N 1 1 391.309 2.881 20 10 GFCDMO CC[N@@H+](CC(=O)NCc1ccccn1)Cc1cc(Br)ccc1O ZINC000743870824 655732302 /nfs/dbraw/zinc/73/23/02/655732302.db2.gz CHAICSZHBWDPBH-UHFFFAOYSA-N 1 1 378.270 2.688 20 10 GFCDMO C[NH+](C)[C@H](CNC(=O)NCc1cccc(Br)c1O)c1ccco1 ZINC000765447267 656143325 /nfs/dbraw/zinc/14/33/25/656143325.db2.gz UDBXPLLZWNTMGK-CYBMUJFWSA-N 1 1 382.258 2.850 20 10 GFCDMO COC(=O)C[C@@H]1CSCC[N@@H+]1Cc1cc(Br)cc(OC)c1O ZINC000769471211 656277366 /nfs/dbraw/zinc/27/73/66/656277366.db2.gz RDAKZXNCSVOFED-GFCCVEGCSA-N 1 1 390.299 2.644 20 10 GFCDMO COC(=O)C[C@@H]1CSCC[N@H+]1Cc1cc(Br)cc(OC)c1O ZINC000769471211 656277374 /nfs/dbraw/zinc/27/73/74/656277374.db2.gz RDAKZXNCSVOFED-GFCCVEGCSA-N 1 1 390.299 2.644 20 10 GFCDMO COC(=O)COc1ccc(C[NH2+]Cc2cccc(Br)c2O)cc1 ZINC000775152081 656604364 /nfs/dbraw/zinc/60/43/64/656604364.db2.gz JWPOQKLNOKBHGI-UHFFFAOYSA-N 1 1 380.238 2.996 20 10 GFCDMO NC(=O)[C@H]1CCCN(c2ccc(CNc3cc[nH+]cc3Br)cc2)C1 ZINC000775452287 656640029 /nfs/dbraw/zinc/64/00/29/656640029.db2.gz YJEJQSDBFYSJBM-AWEZNQCLSA-N 1 1 389.297 2.580 20 10 GFCDMO COC(=O)C(C)(C)N1CC[NH+](Cc2cc(Br)cc(C)c2O)CC1 ZINC000779191382 656904661 /nfs/dbraw/zinc/90/46/61/656904661.db2.gz QGUQCPLYMUOULU-UHFFFAOYSA-N 1 1 385.302 2.532 20 10 GFCDMO COCCCNC(=O)C1CC[NH+](Cc2cc(C)cc(Br)c2O)CC1 ZINC000781903068 657087554 /nfs/dbraw/zinc/08/75/54/657087554.db2.gz XEDXAXWYDDXJBJ-UHFFFAOYSA-N 1 1 399.329 2.828 20 10 GFCDMO CC[C@H]([NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1)c1ccc(F)cc1O ZINC000796793483 658939453 /nfs/dbraw/zinc/93/94/53/658939453.db2.gz RLYUJFIXTZHTRI-ZDUSSCGKSA-N 1 1 384.395 2.886 20 10 GFCDMO CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cc(Br)cc(C)c2O)C1 ZINC000843432723 661381436 /nfs/dbraw/zinc/38/14/36/661381436.db2.gz OKFUOIVLFQMIHH-CQSZACIVSA-N 1 1 395.219 2.964 20 10 GFCDMO C[C@H]([NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O)c1cccc(C(F)(F)F)c1O ZINC000858498039 662113695 /nfs/dbraw/zinc/11/36/95/662113695.db2.gz KKOCAWHYBZFNHI-ZLKJLUDKSA-N 1 1 380.432 2.922 20 10 GFCDMO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1c(O)cccc1Br ZINC000862213308 662273564 /nfs/dbraw/zinc/27/35/64/662273564.db2.gz OVNRGPLTIRVZRX-LLVKDONJSA-N 1 1 399.310 2.995 20 10 GFCDMO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)Cc1c(O)cccc1Br ZINC000862213308 662273566 /nfs/dbraw/zinc/27/35/66/662273566.db2.gz OVNRGPLTIRVZRX-LLVKDONJSA-N 1 1 399.310 2.995 20 10 GFCDMO O=C1[C@@H]([NH2+]Cc2cc(Br)cc(F)c2O)CCCN1CC(F)(F)F ZINC000883073786 663047908 /nfs/dbraw/zinc/04/79/08/663047908.db2.gz ZZLPKEMWLWTRSG-NSHDSACASA-N 1 1 399.182 2.937 20 10 GFCDMO [NH3+]C1(c2noc(CCCN3C(=O)/C(=C/c4cccs4)SC3=S)n2)CC1 ZINC000905319688 663865671 /nfs/dbraw/zinc/86/56/71/663865671.db2.gz VSMFYLIBPYMIMT-LUAWRHEFSA-N 1 1 392.531 2.913 20 10 GFCDMO C[N@H+]1CC[C@H]1CNC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S ZINC000928567056 664735286 /nfs/dbraw/zinc/73/52/86/664735286.db2.gz MEJMVUXSHQBEFU-LQELWAHVSA-N 1 1 395.575 2.550 20 10 GFCDMO Oc1c(Br)cccc1C[NH2+]Cc1cnc(N2CCOCC2)s1 ZINC000278349539 563251143 /nfs/dbraw/zinc/25/11/43/563251143.db2.gz IKLWBTAWRUCBBQ-UHFFFAOYSA-N 1 1 384.299 2.738 20 10 GFCDMO COc1cc(Br)cc(C[N@@H+]2C[C@H](C)O[C@@]3(CCCOC3)C2)c1O ZINC000370712474 563253413 /nfs/dbraw/zinc/25/34/13/563253413.db2.gz VSHXYWITPCARJD-SJCJKPOMSA-N 1 1 386.286 2.933 20 10 GFCDMO COc1cc(Br)cc(C[N@H+]2C[C@H](C)O[C@@]3(CCCOC3)C2)c1O ZINC000370712474 563253415 /nfs/dbraw/zinc/25/34/15/563253415.db2.gz VSHXYWITPCARJD-SJCJKPOMSA-N 1 1 386.286 2.933 20 10 GFCDMO COc1cc(Br)cc(C[N@H+]2CC[C@@H](NC(=O)C3CCC3)C2)c1O ZINC000378352074 563503877 /nfs/dbraw/zinc/50/38/77/563503877.db2.gz XWDASQSEYDTHRV-CQSZACIVSA-N 1 1 383.286 2.654 20 10 GFCDMO [O-]c1c(Br)cc(Br)cc1CN1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000367842939 563857391 /nfs/dbraw/zinc/85/73/91/563857391.db2.gz ZJHKTGNOLAIFNR-URLYPYJESA-N 1 1 377.076 2.587 20 10 GFCDMO [O-]c1c(Br)cc(Br)cc1C[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000367842939 563857389 /nfs/dbraw/zinc/85/73/89/563857389.db2.gz ZJHKTGNOLAIFNR-URLYPYJESA-N 1 1 377.076 2.587 20 10 GFCDMO CN(C)c1ccc(C[N@H+](CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)C2CC2)cc1 ZINC000821589179 607364320 /nfs/dbraw/zinc/36/43/20/607364320.db2.gz ALWWKZTVEGPJGT-UHFFFAOYSA-N 1 1 391.479 2.536 20 10 GFCDMO CN(C)c1ccc(C[N@@H+](CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)C2CC2)cc1 ZINC000821589179 607364322 /nfs/dbraw/zinc/36/43/22/607364322.db2.gz ALWWKZTVEGPJGT-UHFFFAOYSA-N 1 1 391.479 2.536 20 10 GFCDMO CCN(CC)c1ccc(C[N@@H+](C)C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000821198880 606883413 /nfs/dbraw/zinc/88/34/13/606883413.db2.gz XIOOOGWKAOZWRP-FQEVSTJZSA-N 1 1 380.496 2.878 20 10 GFCDMO CCCC[N@@H+](Cc1ccc(Br)cc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000824515337 660395448 /nfs/dbraw/zinc/39/54/48/660395448.db2.gz MMMLBPDANJSABV-CQSZACIVSA-N 1 1 376.316 2.944 20 10 GFCDMO O=S(=O)(c1ccccc1)N1CCC[N@@H+](Cc2cc(Cl)ccc2O)CC1 ZINC000092453920 655014095 /nfs/dbraw/zinc/01/40/95/655014095.db2.gz OEOPETNXTPJBRY-UHFFFAOYSA-N 1 1 380.897 2.942 20 10 GFCDMO O=S(=O)(c1ccccc1)N1CCC[N@H+](Cc2cc(Cl)ccc2O)CC1 ZINC000092453920 655014098 /nfs/dbraw/zinc/01/40/98/655014098.db2.gz OEOPETNXTPJBRY-UHFFFAOYSA-N 1 1 380.897 2.942 20 10 GFCDMO CC[N@@H+](Cc1cc(Br)ccc1O)[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000174426548 655202234 /nfs/dbraw/zinc/20/22/34/655202234.db2.gz JVKCSNFNRIIYBO-OAHLLOKOSA-N 1 1 393.285 2.516 20 10 GFCDMO CC[N@@H+](CC(=O)N1C[C@@H](C)O[C@H](C)C1)Cc1cc(Br)ccc1O ZINC000743870787 655732293 /nfs/dbraw/zinc/73/22/93/655732293.db2.gz AYRHRIXCKXJDJB-CHWSQXEVSA-N 1 1 385.302 2.612 20 10 GFCDMO CC(C)(C)S(=O)(=O)N1CCC([NH2+]Cc2c(O)ccc(Cl)c2F)CC1 ZINC000755219566 655881254 /nfs/dbraw/zinc/88/12/54/655881254.db2.gz KCEGVVAFLIYSPY-UHFFFAOYSA-N 1 1 378.897 2.867 20 10 GFCDMO COc1cc(Br)cc(C[N@@H+](C)CCCNC(=O)C2CCC2)c1O ZINC000763626867 656088730 /nfs/dbraw/zinc/08/87/30/656088730.db2.gz PUVIZIOSCIEVCV-UHFFFAOYSA-N 1 1 385.302 2.902 20 10 GFCDMO Cc1cc(Br)cc(CN2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1O ZINC000775685804 656664423 /nfs/dbraw/zinc/66/44/23/656664423.db2.gz WMBXTKANGRYZOG-QGZVFWFLSA-N 1 1 382.346 2.675 20 10 GFCDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2c(O)ccc(Cl)c2F)cc1 ZINC000790986198 658051913 /nfs/dbraw/zinc/05/19/13/658051913.db2.gz JONLFWCFSHDPLQ-UHFFFAOYSA-N 1 1 388.804 2.656 20 10 GFCDMO O=C(Nc1nncs1)C1CC[NH+](Cc2cccc(Br)c2O)CC1 ZINC000809733878 659937740 /nfs/dbraw/zinc/93/77/40/659937740.db2.gz LROSAQAXMYUTTB-UHFFFAOYSA-N 1 1 397.298 2.857 20 10 GFCDMO C[C@@H]([NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1)c1ccc(Cl)cc1O ZINC000841750023 661311829 /nfs/dbraw/zinc/31/18/29/661311829.db2.gz SMBCZBCGBGETDW-SNVBAGLBSA-N 1 1 382.860 2.961 20 10 GFCDMO CN(C)c1ccc([C@H]([NH3+])CNS(=O)(=O)c2c(Cl)ccc(F)c2F)cc1 ZINC000842786394 661354163 /nfs/dbraw/zinc/35/41/63/661354163.db2.gz ZKGPVRSXPSFEFN-CQSZACIVSA-N 1 1 389.855 2.663 20 10 GFCDMO Cn1nccc1[C@@H](O)C1CC[NH+](Cc2cccc(Br)c2O)CC1 ZINC000857060575 662062009 /nfs/dbraw/zinc/06/20/09/662062009.db2.gz BVFFADFWHUXYMS-KRWDZBQOSA-N 1 1 380.286 2.834 20 10 GFCDMO Cn1cc(C[NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)c(Br)n1 ZINC000858106525 662099149 /nfs/dbraw/zinc/09/91/49/662099149.db2.gz KGSZMQKFNFJHNZ-UHFFFAOYSA-N 1 1 393.329 2.681 20 10 GFCDMO CCOC(=O)[C@@]1(COC)CCC[N@@H+](Cc2c(O)cccc2Br)C1 ZINC000862354126 662282461 /nfs/dbraw/zinc/28/24/61/662282461.db2.gz LHHIATJVIPAORU-KRWDZBQOSA-N 1 1 386.286 2.946 20 10 GFCDMO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2Cc1cc(Br)cc(F)c1O ZINC000894095529 663442144 /nfs/dbraw/zinc/44/21/44/663442144.db2.gz ROHHOYPKLQQPPZ-KBMXLJTQSA-N 1 1 387.293 2.977 20 10 GFCDMO [NH3+]C1(c2noc(CCCN3C(=O)/C(=C\c4cccs4)SC3=S)n2)CC1 ZINC000905319689 663865612 /nfs/dbraw/zinc/86/56/12/663865612.db2.gz VSMFYLIBPYMIMT-PKNBQFBNSA-N 1 1 392.531 2.913 20 10 GFCDMO O=S(=O)(C[C@@]12CC[N@@H+](C1)CCC2)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000915669584 664436877 /nfs/dbraw/zinc/43/68/77/664436877.db2.gz QYITWAOKOHRWBU-HNNXBMFYSA-N 1 1 379.309 2.604 20 10 GFCDMO O=S(=O)(C[C@@]12CC[N@@H+](C1)CCC2)NCc1cc(Cl)cc(Cl)c1O ZINC000915669584 664436888 /nfs/dbraw/zinc/43/68/88/664436888.db2.gz QYITWAOKOHRWBU-HNNXBMFYSA-N 1 1 379.309 2.604 20 10 GFCDMO OC1CCN(c2ccc(C[NH2+]Cc3nc(Br)c[nH]3)cc2F)CC1 ZINC000921585620 664555669 /nfs/dbraw/zinc/55/56/69/664555669.db2.gz FQOSREILIIACSO-UHFFFAOYSA-N 1 1 383.265 2.562 20 10 GFCDMO COc1cc(Br)cc(CN2CCC[C@@H]2C[N@H+]2CCC[C@H]2CO)c1O ZINC000367467777 563845783 /nfs/dbraw/zinc/84/57/83/563845783.db2.gz VWGKDLGKIPXHLK-CVEARBPZSA-N 1 1 399.329 2.584 20 10 GFCDMO CCCC[N@@H+](C)CCNC(=O)c1cc(C)n(-c2ccc(-c3nn[nH]n3)cc2)c1C ZINC000736452584 598767828 /nfs/dbraw/zinc/76/78/28/598767828.db2.gz FTXFKFPPCZXGKT-UHFFFAOYSA-N 1 1 395.511 2.736 20 10 GFCDMO CN(Cc1cccs1)c1ccc(C[N@H+]2CCC[C@H]2CS(N)(=O)=O)cc1 ZINC000823453712 660372829 /nfs/dbraw/zinc/37/28/29/660372829.db2.gz XQCUEKHRQALCPK-KRWDZBQOSA-N 1 1 379.551 2.637 20 10 GFCDMO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc(Br)cc2O)C1 ZINC000824606249 660397954 /nfs/dbraw/zinc/39/79/54/660397954.db2.gz QBGRJNONPIQPPD-TZMCWYRMSA-N 1 1 385.302 2.518 20 10 GFCDMO COc1cc(Br)cc(C[N@H+]2CCC[C@H](C(=O)NC(C)C)C2)c1O ZINC000827687678 660509096 /nfs/dbraw/zinc/50/90/96/660509096.db2.gz STDKDWRLHWESQA-LBPRGKRZSA-N 1 1 385.302 2.900 20 10 GFCDMO C[C@H]([NH2+]C[C@@H]1CC[C@H](C(=O)N(C)C)O1)c1cc(Br)c(F)cc1O ZINC000756785552 655905157 /nfs/dbraw/zinc/90/51/57/655905157.db2.gz GCLLBSARBASNHD-AMJWSMQMSA-N 1 1 389.265 2.580 20 10 GFCDMO C[C@@H]([NH2+]Cc1c(Br)cnn1C)c1ccc(N2CCOCC2)cc1 ZINC000785439295 657364887 /nfs/dbraw/zinc/36/48/87/657364887.db2.gz PGMCOZTYAUSLGI-CYBMUJFWSA-N 1 1 379.302 2.870 20 10 GFCDMO Cc1cc(Br)cc(C[N@@H+]2CCC[C@@H](S(C)(=O)=O)CC2)c1O ZINC000800535052 659315508 /nfs/dbraw/zinc/31/55/08/659315508.db2.gz YJQKPENPBWRYOO-CQSZACIVSA-N 1 1 376.316 2.862 20 10 GFCDMO Cc1cc(Br)cc(C[N@H+]2CCC[C@@H](S(C)(=O)=O)CC2)c1O ZINC000800535052 659315512 /nfs/dbraw/zinc/31/55/12/659315512.db2.gz YJQKPENPBWRYOO-CQSZACIVSA-N 1 1 376.316 2.862 20 10 GFCDMO COCC[NH+]1CCC(NC(=O)NCc2cc(Cl)cc(Cl)c2O)CC1 ZINC000805185459 659754362 /nfs/dbraw/zinc/75/43/62/659754362.db2.gz XCKRXVDUEMWGGX-UHFFFAOYSA-N 1 1 376.284 2.609 20 10 GFCDMO COc1cc(Br)cc(C[N@@H+]2CCCN(CC(F)F)CC2)c1O ZINC000809757510 659938370 /nfs/dbraw/zinc/93/83/70/659938370.db2.gz OYJAWQLCBRPAEO-UHFFFAOYSA-N 1 1 379.245 2.936 20 10 GFCDMO COc1cc(Br)cc(C[N@H+]2CCCN(CC(F)F)CC2)c1O ZINC000809757510 659938373 /nfs/dbraw/zinc/93/83/73/659938373.db2.gz OYJAWQLCBRPAEO-UHFFFAOYSA-N 1 1 379.245 2.936 20 10 GFCDMO Cc1cc(O)c(C[N@@H+]2C[C@@H]3[C@](C(F)(F)F)(C2)CCCS3(=O)=O)cc1C ZINC000898458292 663650744 /nfs/dbraw/zinc/65/07/44/663650744.db2.gz XVGDKKDWKJXHPZ-HZPDHXFCSA-N 1 1 377.428 2.951 20 10 GFCDMO Cc1cc(O)c(C[N@H+]2C[C@@H]3[C@](C(F)(F)F)(C2)CCCS3(=O)=O)cc1C ZINC000898458292 663650753 /nfs/dbraw/zinc/65/07/53/663650753.db2.gz XVGDKKDWKJXHPZ-HZPDHXFCSA-N 1 1 377.428 2.951 20 10 GFCDMO CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cccc(Br)c1[O-])C2 ZINC000922388070 664598200 /nfs/dbraw/zinc/59/82/00/664598200.db2.gz NZLLJDSYHSTWPA-AHCXZYCDSA-N 1 1 383.330 2.724 20 10 GFCDMO Cc1cc(Br)cc(C[N@@H+]2CCCN(C(=O)[C@H]3CCCO3)CC2)c1O ZINC000371415722 563276736 /nfs/dbraw/zinc/27/67/36/563276736.db2.gz DHOSEKHGVOBTGD-MRXNPFEDSA-N 1 1 397.313 2.676 20 10 GFCDMO Cc1cc(Br)cc(C[N@H+]2CCCN(C(=O)[C@H]3CCCO3)CC2)c1O ZINC000371415722 563276740 /nfs/dbraw/zinc/27/67/40/563276740.db2.gz DHOSEKHGVOBTGD-MRXNPFEDSA-N 1 1 397.313 2.676 20 10 GFCDMO C[C@@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)[N@@H+](C)Cc1ccccc1O ZINC000735551727 598617568 /nfs/dbraw/zinc/61/75/68/598617568.db2.gz SFJNZXIGAMSCCU-NSHDSACASA-N 1 1 386.843 2.685 20 10 GFCDMO C[C@H](C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)[N@@H+](C)Cc1ccccc1O ZINC000735571544 598701007 /nfs/dbraw/zinc/70/10/07/598701007.db2.gz YQQYVGLPOGHYPN-LLVKDONJSA-N 1 1 398.492 2.582 20 10 GFCDMO CCOc1ccc(O)c(C[N@H+]2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC000825643766 608853091 /nfs/dbraw/zinc/85/30/91/608853091.db2.gz UBVSUNAIRHNJSN-IBGZPJMESA-N 1 1 381.436 2.545 20 10 GFCDMO Cn1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)c(Cl)n1 ZINC000827095417 660478772 /nfs/dbraw/zinc/47/87/72/660478772.db2.gz FZYMITHMMBEFDR-CYBMUJFWSA-N 1 1 383.279 2.827 20 10 GFCDMO Cn1cc(C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)c(Cl)n1 ZINC000827095417 660478776 /nfs/dbraw/zinc/47/87/76/660478776.db2.gz FZYMITHMMBEFDR-CYBMUJFWSA-N 1 1 383.279 2.827 20 10 GFCDMO CCN(Cc1cc(Br)ccc1O)C(=O)CC[NH+]1CCN(CC)CC1 ZINC000266551955 654884784 /nfs/dbraw/zinc/88/47/84/654884784.db2.gz SHBATRONXRBHQP-UHFFFAOYSA-N 1 1 398.345 2.531 20 10 GFCDMO CC[N@@H+](CCCN1C(=O)NC(C)(C)C1=O)Cc1cc(Br)ccc1O ZINC000174422623 655201984 /nfs/dbraw/zinc/20/19/84/655201984.db2.gz COBAOFBQSHWKQF-UHFFFAOYSA-N 1 1 398.301 2.697 20 10 GFCDMO Cc1[nH+]ccn1CCCCNC(=O)NCc1cccc(Br)c1O ZINC000277506676 655323521 /nfs/dbraw/zinc/32/35/21/655323521.db2.gz RNNYZDFJAUFMAI-UHFFFAOYSA-N 1 1 381.274 2.939 20 10 GFCDMO Oc1c(Br)cccc1C[NH2+]CCn1cc(Br)cn1 ZINC000311061655 655379198 /nfs/dbraw/zinc/37/91/98/655379198.db2.gz XFMSCRMRVJCQEN-UHFFFAOYSA-N 1 1 375.064 2.904 20 10 GFCDMO COc1cc(Br)cc(CN2CCC(OCC[NH+](C)C)CC2)c1O ZINC000769383866 656273228 /nfs/dbraw/zinc/27/32/28/656273228.db2.gz MWALKTZWKUFFHG-UHFFFAOYSA-N 1 1 387.318 2.706 20 10 GFCDMO Cc1cc(Br)cc(C[N@@H+]2CCCC[C@H](S(C)(=O)=O)C2)c1O ZINC000775190631 656612400 /nfs/dbraw/zinc/61/24/00/656612400.db2.gz FUMLKQNQQYFWLU-AWEZNQCLSA-N 1 1 376.316 2.862 20 10 GFCDMO Cc1cc(Br)cc(C[N@H+]2CCCC[C@H](S(C)(=O)=O)C2)c1O ZINC000775190631 656612405 /nfs/dbraw/zinc/61/24/05/656612405.db2.gz FUMLKQNQQYFWLU-AWEZNQCLSA-N 1 1 376.316 2.862 20 10 GFCDMO C[C@@H]([NH2+]CC1(S(C)(=O)=O)CCC1)c1cc(Br)c(F)cc1O ZINC000794826224 658618223 /nfs/dbraw/zinc/61/82/23/658618223.db2.gz AZSLDFGSNMSOEK-SECBINFHSA-N 1 1 380.279 2.912 20 10 GFCDMO CC[C@H]([NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1)c1ccc(F)cc1O ZINC000796827985 658941952 /nfs/dbraw/zinc/94/19/52/658941952.db2.gz UOWIUZJLBOSEKV-AWEZNQCLSA-N 1 1 380.432 2.836 20 10 GFCDMO CCOC(=O)[C@]1(COC)CCC[N@H+](Cc2cccc(Br)c2O)C1 ZINC000798964797 659158918 /nfs/dbraw/zinc/15/89/18/659158918.db2.gz UUJAQSCOFKDRAH-QGZVFWFLSA-N 1 1 386.286 2.946 20 10 GFCDMO CCOC(=O)[C@]1(COC)CCC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000798964797 659158921 /nfs/dbraw/zinc/15/89/21/659158921.db2.gz UUJAQSCOFKDRAH-QGZVFWFLSA-N 1 1 386.286 2.946 20 10 GFCDMO C[NH+](C)[C@]1(CNC(=O)NCc2cc(Cl)cc(Cl)c2O)CCSC1 ZINC000805182040 659754514 /nfs/dbraw/zinc/75/45/14/659754514.db2.gz SNDNXACWGWSDBO-HNNXBMFYSA-N 1 1 378.325 2.936 20 10 GFCDMO C[C@@H]([NH2+][C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1cc(Cl)c(Cl)cc1O ZINC000806170858 659826847 /nfs/dbraw/zinc/82/68/47/659826847.db2.gz IOBBPJPSXUHKJH-GHMZBOCLSA-N 1 1 396.340 2.620 20 10 GFCDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NCc1cc(Br)ccc1O ZINC000806650782 659839186 /nfs/dbraw/zinc/83/91/86/659839186.db2.gz DTKHRTVMOOQELT-NSHDSACASA-N 1 1 381.274 2.795 20 10 GFCDMO O=C(NCc1cccc(Br)c1O)c1cc(C[NH+]2CCCC2)on1 ZINC000812558206 660030208 /nfs/dbraw/zinc/03/02/08/660030208.db2.gz WCHGWHINWJFLAL-UHFFFAOYSA-N 1 1 380.242 2.669 20 10 GFCDMO C[C@@H]([NH2+]C[C@H]1CCCCN1S(C)(=O)=O)c1cccc(C(F)(F)F)c1O ZINC000815625602 660126832 /nfs/dbraw/zinc/12/68/32/660126832.db2.gz HXACEDMWOVKKPJ-VXGBXAGGSA-N 1 1 380.432 2.876 20 10 GFCDMO C[NH2+]C[C@@H]1CCN(Cc2cc(Br)cc(Br)c2O)C1 ZINC000843053354 661365580 /nfs/dbraw/zinc/36/55/80/661365580.db2.gz XQJHITNFEACWIU-VIFPVBQESA-N 1 1 378.108 2.959 20 10 GFCDMO COCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](Cc2c(O)cccc2Br)C1 ZINC000862232215 662275182 /nfs/dbraw/zinc/27/51/82/662275182.db2.gz UFCKETWJMSJXSB-QWHCGFSZSA-N 1 1 385.302 2.518 20 10 GFCDMO CN1CC[NH+](CC2CC[NH+](Cc3c([O-])cccc3Br)CC2)CC1 ZINC000862366214 662283099 /nfs/dbraw/zinc/28/30/99/662283099.db2.gz DVNJWSPWSWYABT-UHFFFAOYSA-N 1 1 382.346 2.614 20 10 GFCDMO C[NH+]1CCC(CCO)([NH2+]Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC000883153268 663050512 /nfs/dbraw/zinc/05/05/12/663050512.db2.gz YEYATTYWZVIJKR-UHFFFAOYSA-N 1 1 377.710 2.745 20 10 GFCDMO COc1cc(Br)cc(C[N@H+]2C[C@@H](O)CC3(CCOCC3)C2)c1O ZINC000895721807 663525639 /nfs/dbraw/zinc/52/56/39/663525639.db2.gz JZQRBNMAEKETDR-AWEZNQCLSA-N 1 1 386.286 2.527 20 10 GFCDMO Oc1cc2c(cc1C[NH2+]C1(c3ncc(Br)cn3)CCC1)OCO2 ZINC000922999931 664620734 /nfs/dbraw/zinc/62/07/34/664620734.db2.gz IDNGKTGTUJMSHX-UHFFFAOYSA-N 1 1 378.226 2.842 20 10 GFCDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)NCc1cccc(Br)c1O ZINC000277698693 563221493 /nfs/dbraw/zinc/22/14/93/563221493.db2.gz HNIBNEABGQCVEV-LLVKDONJSA-N 1 1 381.274 2.795 20 10 GFCDMO Oc1ccccc1C[N@H+](Cc1cc(-c2nn[nH]n2)ccc1F)C[C@H]1CCCO1 ZINC000738401169 598702842 /nfs/dbraw/zinc/70/28/42/598702842.db2.gz PJXDOUMGIQZGBE-QGZVFWFLSA-N 1 1 383.427 2.893 20 10 GFCDMO COc1ccc(-c2nn[nH]n2)cc1C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000826182339 607464595 /nfs/dbraw/zinc/46/45/95/607464595.db2.gz HGRIIWNDCCGTIW-SFHVURJKSA-N 1 1 395.463 2.762 20 10 GFCDMO COc1ccc(N2CCC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3OC)CC2)cc1 ZINC000826209298 608355695 /nfs/dbraw/zinc/35/56/95/608355695.db2.gz VVLPXKFYXXIRSI-UHFFFAOYSA-N 1 1 394.479 2.596 20 10 GFCDMO CC[N@H+](Cc1ccc(-c2nn[nH]n2)o1)Cc1cc(Br)ccc1O ZINC000825429232 608748091 /nfs/dbraw/zinc/74/80/91/608748091.db2.gz YSZQICOSPULMJU-UHFFFAOYSA-N 1 1 378.230 2.950 20 10 GFCDMO CC[N@@H+](Cc1ccc(-c2nn[nH]n2)o1)Cc1cc(Br)ccc1O ZINC000825429232 608748092 /nfs/dbraw/zinc/74/80/92/608748092.db2.gz YSZQICOSPULMJU-UHFFFAOYSA-N 1 1 378.230 2.950 20 10 GFCDMO C[C@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc(Br)ccc1[O-] ZINC000817971611 660212766 /nfs/dbraw/zinc/21/27/66/660212766.db2.gz FWBPTLFMARJNTB-IINYFYTJSA-N 1 1 396.251 2.641 20 10 GFCDMO COc1cc(Br)cc(C[N@H+]2CC[C@H](CN3CCCC3=O)C2)c1O ZINC000827633844 660506107 /nfs/dbraw/zinc/50/61/07/660506107.db2.gz CSRLXMIAAVBICC-LBPRGKRZSA-N 1 1 383.286 2.608 20 10 GFCDMO CC[N@H+](CC(=O)Nc1c(C)n[nH]c1C)Cc1cc(Br)ccc1O ZINC000174424914 655202298 /nfs/dbraw/zinc/20/22/98/655202298.db2.gz ZYHAOCDLOWUWGD-UHFFFAOYSA-N 1 1 381.274 2.955 20 10 GFCDMO CC[N@@H+](CC(=O)Nc1c(C)n[nH]c1C)Cc1cc(Br)ccc1O ZINC000174424914 655202299 /nfs/dbraw/zinc/20/22/99/655202299.db2.gz ZYHAOCDLOWUWGD-UHFFFAOYSA-N 1 1 381.274 2.955 20 10 GFCDMO COCCOCCOCC[N@@H+](C)Cc1cc(Br)cc(C)c1O ZINC000276200455 655267143 /nfs/dbraw/zinc/26/71/43/655267143.db2.gz NNXGVSIIJZYSOC-UHFFFAOYSA-N 1 1 376.291 2.575 20 10 GFCDMO Cn1ccnc1[C@@H](O)[C@@H]1CCC[N@H+](Cc2cccc(Br)c2O)C1 ZINC000180652588 655328994 /nfs/dbraw/zinc/32/89/94/655328994.db2.gz ZLALTFWNNASGDO-CJNGLKHVSA-N 1 1 380.286 2.834 20 10 GFCDMO Cn1ccnc1[C@@H](O)[C@@H]1CCC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000180652588 655328996 /nfs/dbraw/zinc/32/89/96/655328996.db2.gz ZLALTFWNNASGDO-CJNGLKHVSA-N 1 1 380.286 2.834 20 10 GFCDMO CC[C@@H]([NH2+][C@H](C)c1cc(Br)c(F)cc1O)C(=O)N1CCOCC1 ZINC000756649244 655903658 /nfs/dbraw/zinc/90/36/58/655903658.db2.gz MUVZRBPUNWRWLE-QMTHXVAHSA-N 1 1 389.265 2.582 20 10 GFCDMO O=C(NCCCSc1nccs1)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000764360637 656109343 /nfs/dbraw/zinc/10/93/43/656109343.db2.gz OVMSODSGJOKKFQ-GJZGRUSLSA-N 1 1 384.571 2.568 20 10 GFCDMO C[C@H]([NH2+]CCS(=O)(=O)CC1CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000773065184 656398173 /nfs/dbraw/zinc/39/81/73/656398173.db2.gz JRDRFEILAQFALT-AWEZNQCLSA-N 1 1 386.945 2.652 20 10 GFCDMO C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cc(Br)cc(F)c1[O-] ZINC000799726747 659217132 /nfs/dbraw/zinc/21/71/32/659217132.db2.gz RSAZKRGCAKJKON-LBPRGKRZSA-N 1 1 388.325 2.970 20 10 GFCDMO C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cc(Br)cc(F)c1[O-] ZINC000799726745 659217539 /nfs/dbraw/zinc/21/75/39/659217539.db2.gz RSAZKRGCAKJKON-GFCCVEGCSA-N 1 1 388.325 2.970 20 10 GFCDMO CC(C)[C@H](C(=O)NCc1cc(Br)ccc1O)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000804738949 659678957 /nfs/dbraw/zinc/67/89/57/659678957.db2.gz KIGPOIDCEYUDQP-IIYDPXPESA-N 1 1 399.329 2.905 20 10 GFCDMO CC(C)[C@H](C(=O)NCc1cc(Br)ccc1O)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000804738949 659678968 /nfs/dbraw/zinc/67/89/68/659678968.db2.gz KIGPOIDCEYUDQP-IIYDPXPESA-N 1 1 399.329 2.905 20 10 GFCDMO CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2cccc(Br)c2O)C1 ZINC000843432471 661381400 /nfs/dbraw/zinc/38/14/00/661381400.db2.gz MCJSJTRXWGUIOC-CYBMUJFWSA-N 1 1 381.192 2.655 20 10 GFCDMO CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000843432471 661381404 /nfs/dbraw/zinc/38/14/04/661381404.db2.gz MCJSJTRXWGUIOC-CYBMUJFWSA-N 1 1 381.192 2.655 20 10 GFCDMO COc1cc(Br)cc([C@@H](C)[NH2+]Cc2nnc3n2CCCC3)c1O ZINC000848545190 661663023 /nfs/dbraw/zinc/66/30/23/661663023.db2.gz BGYFEWAQXDXCOY-SNVBAGLBSA-N 1 1 381.274 2.942 20 10 GFCDMO CN(C)[S@](C)(=O)=NCC1CC[NH+](Cc2cc(Cl)c(F)cc2O)CC1 ZINC000898400117 663648677 /nfs/dbraw/zinc/64/86/77/663648677.db2.gz WRPJWHGTXITYMD-XMMPIXPASA-N 1 1 377.913 2.971 20 10 GFCDMO CCOC(=O)C1([S@](C)=O)CC[NH+]([C@H](C)c2ccc(F)c(F)c2[O-])CC1 ZINC000296345360 563283553 /nfs/dbraw/zinc/28/35/53/563283553.db2.gz IBIRGCVZCPCJKG-NDHGSNPTSA-N 1 1 375.437 2.508 20 10 GFCDMO O=S1(=O)CCCN1C1CCC([NH2+]Cc2c(O)ccc(Cl)c2F)CC1 ZINC000365140053 563775770 /nfs/dbraw/zinc/77/57/70/563775770.db2.gz SVYYGSPIDVMKBU-UHFFFAOYSA-N 1 1 376.881 2.621 20 10 GFCDMO COc1cc(Br)cc(C[NH+]2CCC(C)(N3CCOCC3)CC2)c1O ZINC000529663321 564845833 /nfs/dbraw/zinc/84/58/33/564845833.db2.gz JQKGQDAZVWLBHR-UHFFFAOYSA-N 1 1 399.329 2.850 20 10 GFCDMO CC(C)C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000824262052 608545277 /nfs/dbraw/zinc/54/52/77/608545277.db2.gz VHBCNOBXZRUCPL-IBGZPJMESA-N 1 1 395.463 2.656 20 10 GFCDMO Oc1ccc(Cl)cc1C[N@H+]1CCCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000826511179 608585382 /nfs/dbraw/zinc/58/53/82/608585382.db2.gz FTVGVCURSBUUHZ-UHFFFAOYSA-N 1 1 384.871 2.938 20 10 GFCDMO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)Cc1ccc(Br)cc1O ZINC000824530399 660396012 /nfs/dbraw/zinc/39/60/12/660396012.db2.gz ZXXHUGFATMUMSM-LLVKDONJSA-N 1 1 399.310 2.995 20 10 GFCDMO C[N@@H+](Cc1ccc(Br)cc1O)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000824863871 660403751 /nfs/dbraw/zinc/40/37/51/660403751.db2.gz WXWWOASCSNZCJO-HIFRSBDPSA-N 1 1 376.316 2.942 20 10 GFCDMO C[C@H]([NH2+]CCS(=O)(=O)C1CCOCC1)c1cccc(C(F)(F)F)c1O ZINC000834892564 660837398 /nfs/dbraw/zinc/83/73/98/660837398.db2.gz WIGUPJQORJIQND-NSHDSACASA-N 1 1 381.416 2.655 20 10 GFCDMO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1Cc1cc(Br)cc(OC)c1O ZINC000092509863 655014131 /nfs/dbraw/zinc/01/41/31/655014131.db2.gz WOTSEJYHWYDVOI-CQSZACIVSA-N 1 1 385.302 2.996 20 10 GFCDMO CCN(CC)C(=O)[C@H]1CCC[N@H+]1Cc1cc(Br)cc(OC)c1O ZINC000092509863 655014132 /nfs/dbraw/zinc/01/41/32/655014132.db2.gz WOTSEJYHWYDVOI-CQSZACIVSA-N 1 1 385.302 2.996 20 10 GFCDMO CC[N@@H+](Cc1cc(Br)ccc1O)[C@H](C)C(=O)NC[C@@H]1CCCO1 ZINC000174423433 655201970 /nfs/dbraw/zinc/20/19/70/655201970.db2.gz ZUVOMAAXOGIANK-DOMZBBRYSA-N 1 1 385.302 2.660 20 10 GFCDMO O=C(NCCCSc1nccs1)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000764360643 656109297 /nfs/dbraw/zinc/10/92/97/656109297.db2.gz OVMSODSGJOKKFQ-LSDHHAIUSA-N 1 1 384.571 2.568 20 10 GFCDMO Cc1cc(Br)cc([C@@H](C)[NH2+]CCCN2CCC[C@H](C(N)=O)C2)c1O ZINC000779022614 656897779 /nfs/dbraw/zinc/89/77/79/656897779.db2.gz VOGAMIAQCLDBSI-KGLIPLIRSA-N 1 1 398.345 2.701 20 10 GFCDMO CCC[N@H+](Cc1cc(C)cc(Br)c1O)[C@H]1CCS(=O)(=O)C1 ZINC000781893960 657086961 /nfs/dbraw/zinc/08/69/61/657086961.db2.gz AOXYSFGMWMKCKP-ZDUSSCGKSA-N 1 1 376.316 2.862 20 10 GFCDMO CCC[N@@H+](Cc1cc(C)cc(Br)c1O)[C@H]1CCS(=O)(=O)C1 ZINC000781893960 657086965 /nfs/dbraw/zinc/08/69/65/657086965.db2.gz AOXYSFGMWMKCKP-ZDUSSCGKSA-N 1 1 376.316 2.862 20 10 GFCDMO CC[C@@H]([NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1)c1ccc(F)cc1O ZINC000796793482 658939570 /nfs/dbraw/zinc/93/95/70/658939570.db2.gz RLYUJFIXTZHTRI-CYBMUJFWSA-N 1 1 384.395 2.886 20 10 GFCDMO C[C@@H]([NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl)c1ccc(F)cc1O ZINC000800990353 659362191 /nfs/dbraw/zinc/36/21/91/659362191.db2.gz QUHREXALZLNBIZ-SNVBAGLBSA-N 1 1 390.839 2.953 20 10 GFCDMO Cc1cc(Br)c([O-])c(C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)c1 ZINC000809734267 659937793 /nfs/dbraw/zinc/93/77/93/659937793.db2.gz BZZIOLXQCPAJLG-UHFFFAOYSA-N 1 1 384.362 2.921 20 10 GFCDMO COc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)c2nnnn2C2CC2)c1O ZINC000848546847 661663113 /nfs/dbraw/zinc/66/31/13/661663113.db2.gz HQCVRVWNEJAXOU-IUCAKERBSA-N 1 1 382.262 2.897 20 10 GFCDMO CN(C)c1ccc([C@H](CNCc2cc(Br)nn2C)[NH+](C)C)cc1 ZINC000898450688 663649975 /nfs/dbraw/zinc/64/99/75/663649975.db2.gz TUBXCGADJWOIMO-INIZCTEOSA-N 1 1 380.334 2.641 20 10 GFCDMO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccc(Br)nc1N ZINC000929185438 664748059 /nfs/dbraw/zinc/74/80/59/664748059.db2.gz NZPRTSICPIGCHA-UHFFFAOYSA-N 1 1 391.313 2.895 20 10 GFCDMO Cn1cc([C@@H](O)C[C@H]2CCC[N@H+]2Cc2cc(Br)ccc2O)cn1 ZINC000373168123 563330546 /nfs/dbraw/zinc/33/05/46/563330546.db2.gz TYXACOMNNYFAJE-WBVHZDCISA-N 1 1 380.286 2.976 20 10 GFCDMO COc1cc(Br)cc(C[N@H+]2CCC[C@@H](c3ccnc(N)n3)C2)c1O ZINC000377724252 563484146 /nfs/dbraw/zinc/48/41/46/563484146.db2.gz PWMBDHXFLQTRPV-LLVKDONJSA-N 1 1 393.285 2.745 20 10 GFCDMO CCC[N@H+](Cc1ccccc1O)[C@@H](C(=O)OC)c1cccc(-c2nn[nH]n2)c1 ZINC000821109186 607454128 /nfs/dbraw/zinc/45/41/28/607454128.db2.gz BKPBACRPJQPLNW-GOSISDBHSA-N 1 1 381.436 2.699 20 10 GFCDMO CCC[N@@H+](Cc1ccccc1O)[C@@H](C(=O)OC)c1cccc(-c2nn[nH]n2)c1 ZINC000821109186 607454129 /nfs/dbraw/zinc/45/41/29/607454129.db2.gz BKPBACRPJQPLNW-GOSISDBHSA-N 1 1 381.436 2.699 20 10 GFCDMO CCC[N@@H+](Cc1ccccc1O)[C@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O ZINC000821109240 607453912 /nfs/dbraw/zinc/45/39/12/607453912.db2.gz DLYADLIERFXGFB-HNNXBMFYSA-N 1 1 398.492 2.651 20 10 GFCDMO COc1ccc(C[NH2+]Cc2cccc(Br)c2O)cc1-c1nn[nH]n1 ZINC000826202855 607569991 /nfs/dbraw/zinc/56/99/91/607569991.db2.gz QAXODQUCHNYMDB-UHFFFAOYSA-N 1 1 390.241 2.633 20 10 GFCDMO CN(C)c1ccc(C[N@@H+](C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)C2CC2)cc1 ZINC000821589392 606855696 /nfs/dbraw/zinc/85/56/96/606855696.db2.gz LVGXOXZSRRFCRM-HXUWFJFHSA-N 1 1 378.480 2.631 20 10 GFCDMO CCN(CC)c1ccc(C[N@@H+](C)C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000821198882 606883334 /nfs/dbraw/zinc/88/33/34/606883334.db2.gz XIOOOGWKAOZWRP-HXUWFJFHSA-N 1 1 380.496 2.878 20 10 GFCDMO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)[C@H]1CSCCS1 ZINC000771055747 656338620 /nfs/dbraw/zinc/33/86/20/656338620.db2.gz DGLVCRCUHAXVBG-GOEBONIOSA-N 1 1 386.970 2.975 20 10 GFCDMO O=C(N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)[C@H]1CSCCS1 ZINC000771055747 656338622 /nfs/dbraw/zinc/33/86/22/656338622.db2.gz DGLVCRCUHAXVBG-GOEBONIOSA-N 1 1 386.970 2.975 20 10 GFCDMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCCCSc1nccs1 ZINC000793498584 658400989 /nfs/dbraw/zinc/40/09/89/658400989.db2.gz PBHGSMUJBPDNAW-UHFFFAOYSA-N 1 1 376.511 2.591 20 10 GFCDMO C[C@H]([NH2+]CC1(S(C)(=O)=O)CCC1)c1cc(Br)c(F)cc1O ZINC000794826225 658618503 /nfs/dbraw/zinc/61/85/03/658618503.db2.gz AZSLDFGSNMSOEK-VIFPVBQESA-N 1 1 380.279 2.912 20 10 GFCDMO C[C@H]([NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F)c1ccc(F)cc1O ZINC000799725777 659217691 /nfs/dbraw/zinc/21/76/91/659217691.db2.gz IRWAAYNAFKTKGO-JTQLQIEISA-N 1 1 390.839 2.953 20 10 GFCDMO Oc1c(Br)cccc1C[NH2+]C[C@@H]1CN(Cc2ccncc2)CCO1 ZINC000858305719 662107893 /nfs/dbraw/zinc/10/78/93/662107893.db2.gz CDLSAFHUVPIDPL-MRXNPFEDSA-N 1 1 392.297 2.540 20 10 GFCDMO Cn1cc([C@@H](O)C[C@H]2CCC[N@H+]2Cc2c(O)cccc2Br)cn1 ZINC000862251910 662277815 /nfs/dbraw/zinc/27/78/15/662277815.db2.gz ACRKVCHOXVVPMQ-DYVFJYSZSA-N 1 1 380.286 2.976 20 10 GFCDMO COc1ccc(O)c(C[NH2+][C@H](CO)c2ccccc2I)c1 ZINC000898513671 663654510 /nfs/dbraw/zinc/65/45/10/663654510.db2.gz XPYPHVVXENLBCA-OAHLLOKOSA-N 1 1 399.228 2.829 20 10 GFCDMO Cc1nnc([C@@H]2OCC[C@@H]2C[NH2+]Cc2cc(C)cc(Br)c2O)[nH]1 ZINC000922406106 664600037 /nfs/dbraw/zinc/60/00/37/664600037.db2.gz AIPJZZDRIRSHSO-IAQYHMDHSA-N 1 1 381.274 2.757 20 10 GFCDMO O=C(NCc1cc(Br)ccc1O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000528295213 564775974 /nfs/dbraw/zinc/77/59/74/564775974.db2.gz MMLFXWYJDUWEPN-OAHLLOKOSA-N 1 1 382.302 2.971 20 10 GFCDMO FC(F)Oc1ccc(N2CCC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)o3)C2)cc1 ZINC000822733365 599461137 /nfs/dbraw/zinc/46/11/37/599461137.db2.gz ZLBUAZOAPUXEIP-GFCCVEGCSA-N 1 1 390.394 2.820 20 10 GFCDMO Oc1ccccc1C[N@H+](Cc1ccco1)C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000823732404 606925887 /nfs/dbraw/zinc/92/58/87/606925887.db2.gz MDBUQEDWCCLOMV-FQEVSTJZSA-N 1 1 391.431 2.901 20 10 GFCDMO COCC[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cc(C)cc(OC)c1O ZINC000826159013 607846306 /nfs/dbraw/zinc/84/63/06/607846306.db2.gz MSJPSKSEDLEZCI-UHFFFAOYSA-N 1 1 383.452 2.538 20 10 GFCDMO Oc1ccc2ccncc2c1C[N@H+]1CCO[C@@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000826511238 608055213 /nfs/dbraw/zinc/05/52/13/608055213.db2.gz HUYNTCFBPYFXCV-HXUWFJFHSA-N 1 1 388.431 2.694 20 10 GFCDMO C[N@@H+](Cc1ccc(Br)cc1O)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000824863865 660403742 /nfs/dbraw/zinc/40/37/42/660403742.db2.gz WXWWOASCSNZCJO-DZGCQCFKSA-N 1 1 376.316 2.942 20 10 GFCDMO C[N@@H+](Cc1ccc(Br)cc1O)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000824863874 660403762 /nfs/dbraw/zinc/40/37/62/660403762.db2.gz WXWWOASCSNZCJO-ZFWWWQNUSA-N 1 1 376.316 2.942 20 10 GFCDMO C[C@H]([NH2+]Cc1cccc(Br)c1O)C(=O)NCCc1ccccc1 ZINC000825035063 660408211 /nfs/dbraw/zinc/40/82/11/660408211.db2.gz BIQNCCHSPZFVPO-ZDUSSCGKSA-N 1 1 377.282 2.992 20 10 GFCDMO COc1ccc(N2CC[NH+](Cc3cc(Br)ccc3O)CC2)nc1 ZINC000825305581 660419736 /nfs/dbraw/zinc/41/97/36/660419736.db2.gz OARDYCGWJKZBKU-UHFFFAOYSA-N 1 1 378.270 2.881 20 10 GFCDMO COc1cc(Br)cc(C[N@H+](CC(N)=O)Cc2ccccc2)c1O ZINC000093358425 655018693 /nfs/dbraw/zinc/01/86/93/655018693.db2.gz APCOYUYICDDBJS-UHFFFAOYSA-N 1 1 379.254 2.651 20 10 GFCDMO COc1cc(Br)cc(C[N@@H+](CC(N)=O)Cc2ccccc2)c1O ZINC000093358425 655018695 /nfs/dbraw/zinc/01/86/95/655018695.db2.gz APCOYUYICDDBJS-UHFFFAOYSA-N 1 1 379.254 2.651 20 10 GFCDMO CCN(Cc1cc(Br)ccc1O)C(=O)[C@H](C)[NH+]1CCSCC1 ZINC000153745726 655070181 /nfs/dbraw/zinc/07/01/81/655070181.db2.gz VFGBKEUCHGBJSF-LBPRGKRZSA-N 1 1 387.343 2.941 20 10 GFCDMO CCCC[N@@H+](Cc1cc(Br)ccc1O)[C@H]1CCS(=O)(=O)C1 ZINC000160753054 655124090 /nfs/dbraw/zinc/12/40/90/655124090.db2.gz UTSCHJHYYFOVOT-AWEZNQCLSA-N 1 1 376.316 2.944 20 10 GFCDMO CC[N@@H+](Cc1cc(Br)ccc1O)[C@H](C)C(=O)NC[C@H]1CCCO1 ZINC000247709464 655431950 /nfs/dbraw/zinc/43/19/50/655431950.db2.gz ZUVOMAAXOGIANK-IUODEOHRSA-N 1 1 385.302 2.660 20 10 GFCDMO CC[C@H]([NH2+][C@@H](C)c1cc(Br)c(F)cc1O)C(=O)N1CCOCC1 ZINC000756649242 655903564 /nfs/dbraw/zinc/90/35/64/655903564.db2.gz MUVZRBPUNWRWLE-HZMBPMFUSA-N 1 1 389.265 2.582 20 10 GFCDMO COCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1cc(Br)c(F)cc1O)CC2 ZINC000756759736 655904855 /nfs/dbraw/zinc/90/48/55/655904855.db2.gz XUWHDKRVGQGVTL-ZJUUUORDSA-N 1 1 399.264 2.697 20 10 GFCDMO Cc1cc(Br)c(O)c(C[N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)c1 ZINC000781895604 657086659 /nfs/dbraw/zinc/08/66/59/657086659.db2.gz WDOXGHRTJRATCZ-CQSZACIVSA-N 1 1 397.313 2.534 20 10 GFCDMO Cc1cc(Br)c(O)c(C[N@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)c1 ZINC000781895604 657086665 /nfs/dbraw/zinc/08/66/65/657086665.db2.gz WDOXGHRTJRATCZ-CQSZACIVSA-N 1 1 397.313 2.534 20 10 GFCDMO Cc1cc(Br)c(O)c(C[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)c1 ZINC000781895603 657086735 /nfs/dbraw/zinc/08/67/35/657086735.db2.gz WDOXGHRTJRATCZ-AWEZNQCLSA-N 1 1 397.313 2.534 20 10 GFCDMO Cc1cc(Br)c(O)c(C[N@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)c1 ZINC000781895603 657086743 /nfs/dbraw/zinc/08/67/43/657086743.db2.gz WDOXGHRTJRATCZ-AWEZNQCLSA-N 1 1 397.313 2.534 20 10 GFCDMO COCC[N@@H+]1CCC[C@H]1CNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805138345 659748546 /nfs/dbraw/zinc/74/85/46/659748546.db2.gz RGSHLRNXCORKMD-ZDUSSCGKSA-N 1 1 376.284 2.609 20 10 GFCDMO COCC[N@H+]1CCC[C@H]1CNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805138345 659748551 /nfs/dbraw/zinc/74/85/51/659748551.db2.gz RGSHLRNXCORKMD-ZDUSSCGKSA-N 1 1 376.284 2.609 20 10 GFCDMO CN(C)c1ccc([C@@H]([NH3+])CNS(=O)(=O)c2c(Cl)ccc(F)c2F)cc1 ZINC000842786393 661354145 /nfs/dbraw/zinc/35/41/45/661354145.db2.gz ZKGPVRSXPSFEFN-AWEZNQCLSA-N 1 1 389.855 2.663 20 10 GFCDMO O=C(NCc1cc(Br)ccc1O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000847447026 661592735 /nfs/dbraw/zinc/59/27/35/661592735.db2.gz MBFPREIQIZGGOT-CABCVRRESA-N 1 1 382.302 2.971 20 10 GFCDMO C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)c2ccc(Br)cc2[O-])CC1 ZINC000854231605 661919919 /nfs/dbraw/zinc/91/99/19/661919919.db2.gz MMYLGZNZVWPOMZ-CYBMUJFWSA-N 1 1 398.345 2.796 20 10 GFCDMO Cc1cc(O)c(C[NH2+]Cc2c(I)cnn2C)c(Cl)c1 ZINC000865869040 662448688 /nfs/dbraw/zinc/44/86/88/662448688.db2.gz UKXQOGDYWGQUOO-UHFFFAOYSA-N 1 1 391.640 2.982 20 10 GFCDMO Oc1ccccc1C[N@@H+](C[C@@H](O)c1cc(Br)no1)C[C@@H]1CCCO1 ZINC000878240975 662892233 /nfs/dbraw/zinc/89/22/33/662892233.db2.gz OPCKBVKRZJJNEJ-DZGCQCFKSA-N 1 1 397.269 2.857 20 10 GFCDMO C[N@@H+]1CCC[C@@H](N2CCN(Cc3cc(Br)cc(F)c3O)CC2)C1 ZINC000894014029 663437454 /nfs/dbraw/zinc/43/74/54/663437454.db2.gz HXAVUAVRGVWXFF-OAHLLOKOSA-N 1 1 386.309 2.506 20 10 GFCDMO C[N@H+]1CCC[C@@H](N2CCN(Cc3cc(Br)cc(F)c3O)CC2)C1 ZINC000894014029 663437457 /nfs/dbraw/zinc/43/74/57/663437457.db2.gz HXAVUAVRGVWXFF-OAHLLOKOSA-N 1 1 386.309 2.506 20 10 GFCDMO COc1cc(Br)cc(C[N@H+]2CCC[C@@H]([C@@]3(C)COC(=O)N3)C2)c1O ZINC000896394805 663555269 /nfs/dbraw/zinc/55/52/69/663555269.db2.gz FXZBPTTXXVVTKE-SJKOYZFVSA-N 1 1 399.285 2.874 20 10 GFCDMO COc1cc(Cl)cc(C[N@@H+](C)[C@@H](C)c2cccc(S(N)(=O)=O)c2)c1O ZINC000184684237 552342372 /nfs/dbraw/zinc/34/23/72/552342372.db2.gz FHKQWKIUDDRUGI-NSHDSACASA-N 1 1 384.885 2.895 20 10 GFCDMO Oc1ccccc1C[N@H+](Cc1ccc(F)c(-c2nn[nH]n2)c1)C[C@H]1CCCO1 ZINC000823732018 606973923 /nfs/dbraw/zinc/97/39/23/606973923.db2.gz IJYMDCFLTVTLMN-MRXNPFEDSA-N 1 1 383.427 2.893 20 10 GFCDMO COc1cc(-c2nn[nH]n2)ccc1C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000826168458 608372388 /nfs/dbraw/zinc/37/23/88/608372388.db2.gz NNQDSJJIVFJBRN-SFHVURJKSA-N 1 1 395.463 2.762 20 10 GFCDMO CCN(CC)c1ccc(C[N@@H+](C)Cc2cnc3ccc(-c4nn[nH]n4)cn23)cc1 ZINC000825417392 608506414 /nfs/dbraw/zinc/50/64/14/608506414.db2.gz QPDXQNASKCJQQP-UHFFFAOYSA-N 1 1 390.495 2.993 20 10 GFCDMO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1cccc(Br)c1O ZINC000119475805 655305204 /nfs/dbraw/zinc/30/52/04/655305204.db2.gz RQLDXZFVTVWNMY-NSHDSACASA-N 1 1 399.310 2.995 20 10 GFCDMO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)Cc1cccc(Br)c1O ZINC000119475805 655305206 /nfs/dbraw/zinc/30/52/06/655305206.db2.gz RQLDXZFVTVWNMY-NSHDSACASA-N 1 1 399.310 2.995 20 10 GFCDMO COc1cc(Cl)cc(C[N@@H+](C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)c1O ZINC000761183622 656002497 /nfs/dbraw/zinc/00/24/97/656002497.db2.gz OKSKYOLKCFIDPN-NSHDSACASA-N 1 1 384.885 2.895 20 10 GFCDMO OC[C@@H]1C[N@H+](Cc2ccc(N3CCCCC3)c(Br)c2)CC[C@@H]1O ZINC000840975818 661223350 /nfs/dbraw/zinc/22/33/50/661223350.db2.gz RFYRJTAADNCDTF-YJBOKZPZSA-N 1 1 383.330 2.615 20 10 GFCDMO OC[C@@H]1C[N@@H+](Cc2ccc(N3CCCCC3)c(Br)c2)CC[C@@H]1O ZINC000840975818 661223353 /nfs/dbraw/zinc/22/33/53/661223353.db2.gz RFYRJTAADNCDTF-YJBOKZPZSA-N 1 1 383.330 2.615 20 10 GFCDMO Cn1nc(Br)cc1C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000787063269 657513004 /nfs/dbraw/zinc/51/30/04/657513004.db2.gz BJIGMMZKXKGHGD-UHFFFAOYSA-N 1 1 379.302 2.651 20 10 GFCDMO Cn1nc(Br)cc1C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000787063269 657513020 /nfs/dbraw/zinc/51/30/20/657513020.db2.gz BJIGMMZKXKGHGD-UHFFFAOYSA-N 1 1 379.302 2.651 20 10 GFCDMO CCOc1ccc(C[NH2+][C@@H](C(N)=O)c2cccc(Br)c2)c(O)c1 ZINC000793264619 658379072 /nfs/dbraw/zinc/37/90/72/658379072.db2.gz CUXNONJQHRVJDZ-MRXNPFEDSA-N 1 1 379.254 2.870 20 10 GFCDMO C[C@@H]([NH2+][C@H](C)C1(S(C)(=O)=O)CC1)c1cc(Br)c(F)cc1O ZINC000797069855 658973842 /nfs/dbraw/zinc/97/38/42/658973842.db2.gz LUQDWNPXHRNTHT-RKDXNWHRSA-N 1 1 380.279 2.910 20 10 GFCDMO O=S(=O)(c1ccccc1)N1CC[C@H]([NH2+]Cc2c(O)ccc(Cl)c2F)C1 ZINC000808434260 659894223 /nfs/dbraw/zinc/89/42/23/659894223.db2.gz ZLCXEBURQOZUPO-LBPRGKRZSA-N 1 1 384.860 2.738 20 10 GFCDMO NC(=O)Cc1cccc2c1CC[N@H+](Cc1ccc(Br)cc1O)C2 ZINC000877678937 662881613 /nfs/dbraw/zinc/88/16/13/662881613.db2.gz VGPZKTSSMOQHMY-UHFFFAOYSA-N 1 1 375.266 2.741 20 10 GFCDMO O=C1[C@H]([NH2+]Cc2cc(Br)cc(F)c2O)CCCN1CC(F)(F)F ZINC000883073785 663047941 /nfs/dbraw/zinc/04/79/41/663047941.db2.gz ZZLPKEMWLWTRSG-LLVKDONJSA-N 1 1 399.182 2.937 20 10 GFCDMO C[C@H]1C[N@@H+](C2CCOCC2)CCN1Cc1cc(Br)cc(F)c1O ZINC000894580772 663470002 /nfs/dbraw/zinc/47/00/02/663470002.db2.gz NECPTKDXKPTQEB-LBPRGKRZSA-N 1 1 387.293 2.979 20 10 GFCDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1Cc1cc(Br)cc(F)c1O ZINC000894580772 663470003 /nfs/dbraw/zinc/47/00/03/663470003.db2.gz NECPTKDXKPTQEB-LBPRGKRZSA-N 1 1 387.293 2.979 20 10 GFCDMO CCc1cccc(C[N@@H+]2C[C@@H]3[C@](C(F)(F)F)(C2)CCCS3(=O)=O)c1O ZINC000898456826 663650682 /nfs/dbraw/zinc/65/06/82/663650682.db2.gz MUSXWAUXYZAUDM-GDBMZVCRSA-N 1 1 377.428 2.896 20 10 GFCDMO CCc1cccc(C[N@H+]2C[C@@H]3[C@](C(F)(F)F)(C2)CCCS3(=O)=O)c1O ZINC000898456826 663650686 /nfs/dbraw/zinc/65/06/86/663650686.db2.gz MUSXWAUXYZAUDM-GDBMZVCRSA-N 1 1 377.428 2.896 20 10 GFCDMO CCO[C@@H](CN[C@H](C)c1cc(Br)cc(OC)c1O)C[NH+](C)C ZINC000926964469 664699492 /nfs/dbraw/zinc/69/94/92/664699492.db2.gz XCWFTPYJLVUBGZ-YPMHNXCESA-N 1 1 375.307 2.781 20 10 GFCDMO O=C(NCc1cc(Cl)cc(Cl)c1O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000927636520 664713099 /nfs/dbraw/zinc/71/30/99/664713099.db2.gz YPLQLCWVOPKOLV-AWEZNQCLSA-N 1 1 388.295 2.752 20 10 GFCDMO O=C(NCc1cc(Cl)cc(Cl)c1O)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000927636520 664713100 /nfs/dbraw/zinc/71/31/00/664713100.db2.gz YPLQLCWVOPKOLV-AWEZNQCLSA-N 1 1 388.295 2.752 20 10 GFCDMO Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H](C)CN2CCN(C)CC2)c1O ZINC000187159046 552408532 /nfs/dbraw/zinc/40/85/32/552408532.db2.gz FCXFIGCLHXWYGK-UKRRQHHQSA-N 1 1 384.362 2.997 20 10 GFCDMO COc1cc(Br)cc(C[N@H+]2CCOC3(CCOCC3)CC2)c1O ZINC000375080580 563389527 /nfs/dbraw/zinc/38/95/27/563389527.db2.gz XJDPZLBSHUBWCP-UHFFFAOYSA-N 1 1 386.286 2.935 20 10 GFCDMO CC[N@H+](Cc1cc(Br)ccc1O)C[C@@H]1CCCS(=O)(=O)C1 ZINC000283911793 563458848 /nfs/dbraw/zinc/45/88/48/563458848.db2.gz BTXKIPHOUUQSRW-LBPRGKRZSA-N 1 1 376.316 2.801 20 10 GFCDMO COc1cc(Br)cc(C[N@H+]2CCCC[C@@H]2[C@@H]2CNC(=O)C2)c1O ZINC000360813305 563695010 /nfs/dbraw/zinc/69/50/10/563695010.db2.gz XSGYZKUCAIRJAR-SMDDNHRTSA-N 1 1 383.286 2.654 20 10 GFCDMO C[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc(Br)ccc1[O-] ZINC000368328023 563868372 /nfs/dbraw/zinc/86/83/72/563868372.db2.gz NQFNVQSGNCKRJD-UKRRQHHQSA-N 1 1 382.346 2.974 20 10 GFCDMO CN(C)c1ccc(C[N@@H+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)C2CC2)cc1 ZINC000821589391 606856073 /nfs/dbraw/zinc/85/60/73/606856073.db2.gz LVGXOXZSRRFCRM-FQEVSTJZSA-N 1 1 378.480 2.631 20 10 GFCDMO Oc1ccc(Cl)cc1CN1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826511507 608509274 /nfs/dbraw/zinc/50/92/74/608509274.db2.gz SOQNTEZZELYRGM-UHFFFAOYSA-N 1 1 398.898 2.934 20 10 GFCDMO CN(C)c1ccc(C[N@@H+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)C2CC2)cc1 ZINC000825879155 608521481 /nfs/dbraw/zinc/52/14/81/608521481.db2.gz IJNLWKLSBIEXNW-UHFFFAOYSA-N 1 1 388.479 2.745 20 10 GFCDMO CCOc1cccc(C[N@H+]2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)c1O ZINC000825649064 608853812 /nfs/dbraw/zinc/85/38/12/608853812.db2.gz KJLWPOJFKQAUGL-SFHVURJKSA-N 1 1 381.436 2.545 20 10 GFCDMO COCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](Cc2ccc(Br)cc2O)C1 ZINC000824606245 660397878 /nfs/dbraw/zinc/39/78/78/660397878.db2.gz QBGRJNONPIQPPD-JSGCOSHPSA-N 1 1 385.302 2.518 20 10 GFCDMO CCN(Cc1cc(Br)ccc1O)C(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000124455999 654776300 /nfs/dbraw/zinc/77/63/00/654776300.db2.gz QUDRITVACFVPQB-CQSZACIVSA-N 1 1 387.343 2.941 20 10 GFCDMO C[C@H]1C[NH+](C(C)(C)CNC(=O)NCCCSc2nccs2)C[C@H](C)O1 ZINC000151904029 655055118 /nfs/dbraw/zinc/05/51/18/655055118.db2.gz VQUUUOCGKUFSFW-KBPBESRZSA-N 1 1 386.587 2.812 20 10 GFCDMO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)Cc1cc(Br)ccc1O ZINC000119439186 655303854 /nfs/dbraw/zinc/30/38/54/655303854.db2.gz UXSMPYWJZSJBRZ-NSHDSACASA-N 1 1 399.310 2.995 20 10 GFCDMO C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cc(Br)c(F)cc1[O-] ZINC000799725082 659217415 /nfs/dbraw/zinc/21/74/15/659217415.db2.gz CVJURAWJSUSAMB-LBPRGKRZSA-N 1 1 388.325 2.970 20 10 GFCDMO C[C@@H]1C[N@H+](CCCNC(=O)NCc2cc(Cl)cc(Cl)c2O)CCCO1 ZINC000807179155 659849199 /nfs/dbraw/zinc/84/91/99/659849199.db2.gz AHGZXTVJQCPIEI-GFCCVEGCSA-N 1 1 390.311 2.999 20 10 GFCDMO C[C@@H]1C[N@@H+](CCCNC(=O)NCc2cc(Cl)cc(Cl)c2O)CCCO1 ZINC000807179155 659849201 /nfs/dbraw/zinc/84/92/01/659849201.db2.gz AHGZXTVJQCPIEI-GFCCVEGCSA-N 1 1 390.311 2.999 20 10 GFCDMO C[NH+](C)CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c2nonc21 ZINC000814380423 660078321 /nfs/dbraw/zinc/07/83/21/660078321.db2.gz FBNJESPSFIKQDY-UHFFFAOYSA-N 1 1 380.857 2.633 20 10 GFCDMO COCCN(C)CCC[NH2+][C@H](C)c1cc(Br)cc(OC)c1O ZINC000848519235 661660739 /nfs/dbraw/zinc/66/07/39/661660739.db2.gz QSYMGTWKPFFVJP-GFCCVEGCSA-N 1 1 375.307 2.782 20 10 GFCDMO CN(C)S(=O)(=O)c1ccccc1C[NH2+]Cc1c(O)cccc1Br ZINC000858094959 662098602 /nfs/dbraw/zinc/09/86/02/662098602.db2.gz JAGQDJLDZXCASP-UHFFFAOYSA-N 1 1 399.310 2.695 20 10 GFCDMO CCOC(=O)[C@]1(COC)CCC[N@@H+](Cc2c(O)cccc2Br)C1 ZINC000862354127 662282221 /nfs/dbraw/zinc/28/22/21/662282221.db2.gz LHHIATJVIPAORU-QGZVFWFLSA-N 1 1 386.286 2.946 20 10 GFCDMO Cc1cc(N(C)C)ccc1C[NH2+]Cc1cn(C)nc1I ZINC000894256147 663450982 /nfs/dbraw/zinc/45/09/82/663450982.db2.gz NOFLRSWDVMIOFD-UHFFFAOYSA-N 1 1 384.265 2.689 20 10 GFCDMO C[C@H]([NH2+][C@@H]1Cc2cc(Br)cnc2NC1=O)c1ccc(F)cc1O ZINC000903325692 663781919 /nfs/dbraw/zinc/78/19/19/663781919.db2.gz MDXVBBARROTGFJ-ISVAXAHUSA-N 1 1 380.217 2.903 20 10 GFCDMO O=C(NCC1CCOCC1)[C@H]1CCC[N@H+]1Cc1cc(Br)ccc1O ZINC000370294328 563239198 /nfs/dbraw/zinc/23/91/98/563239198.db2.gz NWHBGVUNISUEDD-MRXNPFEDSA-N 1 1 397.313 2.662 20 10 GFCDMO O=C(NCC1CCOCC1)[C@H]1CCC[N@@H+]1Cc1cc(Br)ccc1O ZINC000370294328 563239203 /nfs/dbraw/zinc/23/92/03/563239203.db2.gz NWHBGVUNISUEDD-MRXNPFEDSA-N 1 1 397.313 2.662 20 10 GFCDMO FC(F)Oc1ccc(N2CCC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)o3)C2)cc1 ZINC000822733366 599461120 /nfs/dbraw/zinc/46/11/20/599461120.db2.gz ZLBUAZOAPUXEIP-LBPRGKRZSA-N 1 1 390.394 2.820 20 10 GFCDMO C[C@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(Br)cc1[O-] ZINC000817971302 660212783 /nfs/dbraw/zinc/21/27/83/660212783.db2.gz CDMBPRUKEWHATK-HZMBPMFUSA-N 1 1 396.251 2.641 20 10 GFCDMO CC[N@H+](Cc1cc(Br)cc(OC)c1O)[C@@H](C)CS(=O)(=O)CC ZINC000093413791 655019324 /nfs/dbraw/zinc/01/93/24/655019324.db2.gz VGKKZBDVGREDJB-NSHDSACASA-N 1 1 394.331 2.808 20 10 GFCDMO CC[N@@H+](Cc1cc(Br)cc(OC)c1O)[C@@H](C)CS(=O)(=O)CC ZINC000093413791 655019326 /nfs/dbraw/zinc/01/93/26/655019326.db2.gz VGKKZBDVGREDJB-NSHDSACASA-N 1 1 394.331 2.808 20 10 GFCDMO COc1cc(Cl)cc(C[NH+]2CCC(CNC(=O)C(F)(F)F)CC2)c1O ZINC000281126032 655332343 /nfs/dbraw/zinc/33/23/43/655332343.db2.gz CLEUWQZBYAPFRQ-UHFFFAOYSA-N 1 1 380.794 2.945 20 10 GFCDMO Cc1cc(Br)cc(C[N@@H+]2CCCC[C@@H](S(C)(=O)=O)C2)c1O ZINC000775190634 656612499 /nfs/dbraw/zinc/61/24/99/656612499.db2.gz FUMLKQNQQYFWLU-CQSZACIVSA-N 1 1 376.316 2.862 20 10 GFCDMO Cc1cc(Br)cc(C[N@H+]2CCCC[C@@H](S(C)(=O)=O)C2)c1O ZINC000775190634 656612501 /nfs/dbraw/zinc/61/25/01/656612501.db2.gz FUMLKQNQQYFWLU-CQSZACIVSA-N 1 1 376.316 2.862 20 10 GFCDMO Cn1nc(Br)cc1C[NH2+]Cc1cccc(Br)c1O ZINC000787288517 657538896 /nfs/dbraw/zinc/53/88/96/657538896.db2.gz DHRRRPPRTQBNMD-UHFFFAOYSA-N 1 1 375.064 2.941 20 10 GFCDMO CC[NH+](CC)CCOCCNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807107166 659848483 /nfs/dbraw/zinc/84/84/83/659848483.db2.gz WJPCDKJCAKAURZ-UHFFFAOYSA-N 1 1 378.300 2.857 20 10 GFCDMO Cn1nccc1[C@H](O)C1CC[NH+](Cc2cccc(Br)c2O)CC1 ZINC000857060577 662062104 /nfs/dbraw/zinc/06/21/04/662062104.db2.gz BVFFADFWHUXYMS-QGZVFWFLSA-N 1 1 380.286 2.834 20 10 GFCDMO Cc1cc(Br)c(O)c(C[NH2+]C[C@H](n2cncn2)C(F)(F)F)c1 ZINC000865683131 662436358 /nfs/dbraw/zinc/43/63/58/662436358.db2.gz WGCGOALAWHGKJC-NSHDSACASA-N 1 1 379.180 2.948 20 10 GFCDMO C[N@H+]1CCCN(CCC[NH2+]Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC000882985035 663045912 /nfs/dbraw/zinc/04/59/12/663045912.db2.gz DKTWOTNZFKSUJQ-UHFFFAOYSA-N 1 1 390.753 2.925 20 10 GFCDMO Oc1c(F)cc(Br)cc1C[NH2+]C[C@H](O)C(F)(F)C(F)(F)F ZINC000883368588 663054072 /nfs/dbraw/zinc/05/40/72/663054072.db2.gz UMLHUOBJGPTLCR-QMMMGPOBSA-N 1 1 382.098 2.942 20 10 GFCDMO COC(=O)c1cc2n(n1)CCC[C@@H]2[NH2+]Cc1cccc(Br)c1O ZINC000897986392 663629274 /nfs/dbraw/zinc/62/92/74/663629274.db2.gz ZMZZCRMXEUQADM-LBPRGKRZSA-N 1 1 380.242 2.763 20 10 GFCDMO Cc1cc(Br)cc(C[N@H+]2C[C@@H](C(N)=O)[C@H](C(F)(F)F)C2)c1O ZINC000375369647 563401981 /nfs/dbraw/zinc/40/19/81/563401981.db2.gz YAGZZJVYWBZPNB-GHMZBOCLSA-N 1 1 381.192 2.559 20 10 GFCDMO COc1cc(Br)cc(C[N@H+]2CC[C@H](NC(=O)C3CCC3)C2)c1O ZINC000378352073 563503541 /nfs/dbraw/zinc/50/35/41/563503541.db2.gz XWDASQSEYDTHRV-AWEZNQCLSA-N 1 1 383.286 2.654 20 10 GFCDMO O=C(N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)c1ncncc1Cl ZINC000363725284 563731845 /nfs/dbraw/zinc/73/18/45/563731845.db2.gz NFRDGMUURRGQSZ-CYBMUJFWSA-N 1 1 381.263 2.883 20 10 GFCDMO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](CNC(=O)C(F)(F)F)C2)c1O ZINC000291519367 563745865 /nfs/dbraw/zinc/74/58/65/563745865.db2.gz IYDLMSNPMJJVGE-SNVBAGLBSA-N 1 1 380.794 2.945 20 10 GFCDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@H](CNC(=O)C(F)(F)F)C2)c1O ZINC000291519367 563745869 /nfs/dbraw/zinc/74/58/69/563745869.db2.gz IYDLMSNPMJJVGE-SNVBAGLBSA-N 1 1 380.794 2.945 20 10 GFCDMO COc1cc(Br)cc(C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)c1O ZINC000365557191 563786819 /nfs/dbraw/zinc/78/68/19/563786819.db2.gz QXEGJDPSOPXXIT-XWCIJXRUSA-N 1 1 386.286 2.932 20 10 GFCDMO CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000366088284 563799065 /nfs/dbraw/zinc/79/90/65/563799065.db2.gz KXFQKUXCTZEXIY-CYBMUJFWSA-N 1 1 393.285 2.967 20 10 GFCDMO COc1cc[nH+]c(N2CC[NH+](Cc3c(O)c(C(=O)[O-])cc4ccccc43)CC2)c1 ZINC000738142621 599778520 /nfs/dbraw/zinc/77/85/20/599778520.db2.gz CVALKLVVTCKHAO-UHFFFAOYSA-N 1 1 393.443 2.969 20 10 GFCDMO Cc1cc(C)c(O)c(C[N@H+]2CCCN(c3ccccc3-c3nn[nH]n3)CC2)c1 ZINC000826263724 607846553 /nfs/dbraw/zinc/84/65/53/607846553.db2.gz NPHDFIRLDZSBTC-UHFFFAOYSA-N 1 1 378.480 2.901 20 10 GFCDMO CN(C)c1ccc(C[N@H+]2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000825879979 608505817 /nfs/dbraw/zinc/50/58/17/608505817.db2.gz UJARURAGAYEYNS-UHFFFAOYSA-N 1 1 391.523 2.641 20 10 GFCDMO CN(C)c1ccc(CN2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000825879979 608505819 /nfs/dbraw/zinc/50/58/19/608505819.db2.gz UJARURAGAYEYNS-UHFFFAOYSA-N 1 1 391.523 2.641 20 10 GFCDMO CN(C)c1ccc(CN2CCC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000825879979 608505820 /nfs/dbraw/zinc/50/58/20/608505820.db2.gz UJARURAGAYEYNS-UHFFFAOYSA-N 1 1 391.523 2.641 20 10 GFCDMO CN(Cc1cccs1)c1ccc(C[N@H+]2CCC[C@H](S(N)(=O)=O)C2)cc1 ZINC000824161787 660386421 /nfs/dbraw/zinc/38/64/21/660386421.db2.gz PXXMFTVIZBSEKI-SFHVURJKSA-N 1 1 379.551 2.637 20 10 GFCDMO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)Cc1ccc(Br)cc1O ZINC000824632225 660398250 /nfs/dbraw/zinc/39/82/50/660398250.db2.gz AFTQYAHQPGRLRK-LLVKDONJSA-N 1 1 399.310 2.995 20 10 GFCDMO Cc1cc(O)c(C[N@@H+](C)CCOc2ccc(S(N)(=O)=O)cc2)cc1Cl ZINC000826003488 660447533 /nfs/dbraw/zinc/44/75/33/660447533.db2.gz MYVQVZZWWIFBRS-UHFFFAOYSA-N 1 1 384.885 2.512 20 10 GFCDMO Cc1nnc(CC(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)s1 ZINC000830545419 660662833 /nfs/dbraw/zinc/66/28/33/660662833.db2.gz YOIQFHDMLVUEJX-CQSZACIVSA-N 1 1 380.901 2.529 20 10 GFCDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)NCc2cccc(Br)c2O)C1 ZINC000277477268 655321819 /nfs/dbraw/zinc/32/18/19/655321819.db2.gz PKFZLBODPAVHGU-ZDUSSCGKSA-N 1 1 384.318 2.932 20 10 GFCDMO Cc1cc(Br)c(O)c(C[NH2+]CCC(=O)NCc2cccnc2)c1 ZINC000781629644 657067139 /nfs/dbraw/zinc/06/71/39/657067139.db2.gz XTTOUURADYEPLV-UHFFFAOYSA-N 1 1 378.270 2.654 20 10 GFCDMO Cc1cc(Br)c(O)c(C[N@H+](CCO)CCOCC(F)(F)F)c1 ZINC000781908960 657088040 /nfs/dbraw/zinc/08/80/40/657088040.db2.gz BTJLALWVUZLHRR-UHFFFAOYSA-N 1 1 386.208 2.836 20 10 GFCDMO Cc1cc(Br)c(O)c(C[N@@H+](CCO)CCOCC(F)(F)F)c1 ZINC000781908960 657088051 /nfs/dbraw/zinc/08/80/51/657088051.db2.gz BTJLALWVUZLHRR-UHFFFAOYSA-N 1 1 386.208 2.836 20 10 GFCDMO CS(=O)(=O)[C@H]1CC[N@@H+](Cc2c(O)ccc3cc(Br)ccc32)C1 ZINC000799949946 659249566 /nfs/dbraw/zinc/24/95/66/659249566.db2.gz ZOXQXHOXBNGLAJ-ZDUSSCGKSA-N 1 1 384.295 2.927 20 10 GFCDMO CN1CCN(c2ccc(C[NH2+]CCCn3cc(Br)cn3)cc2)CC1 ZINC000808436859 659894114 /nfs/dbraw/zinc/89/41/14/659894114.db2.gz SDIPPOTVFWWCTN-UHFFFAOYSA-N 1 1 392.345 2.577 20 10 GFCDMO COc1cc(Br)cc([C@H](C)[NH2+]Cc2nc(C(N)=O)cs2)c1O ZINC000850540062 661781094 /nfs/dbraw/zinc/78/10/94/661781094.db2.gz HWCHGSSTTZSIOU-ZETCQYMHSA-N 1 1 386.271 2.570 20 10 GFCDMO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1c(O)cccc1Br ZINC000862213310 662273629 /nfs/dbraw/zinc/27/36/29/662273629.db2.gz OVNRGPLTIRVZRX-NSHDSACASA-N 1 1 399.310 2.995 20 10 GFCDMO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)Cc1c(O)cccc1Br ZINC000862213310 662273630 /nfs/dbraw/zinc/27/36/30/662273630.db2.gz OVNRGPLTIRVZRX-NSHDSACASA-N 1 1 399.310 2.995 20 10 GFCDMO Cn1ccnc1[C@@H](O)[C@H]1CCC[N@@H+](Cc2c(O)cccc2Br)C1 ZINC000862253533 662278258 /nfs/dbraw/zinc/27/82/58/662278258.db2.gz OWIBDXJQXBOQAV-LRDDRELGSA-N 1 1 380.286 2.834 20 10 GFCDMO COCCOC1(C[NH2+]Cc2cc(C)cc(Br)c2O)CCOCC1 ZINC000824589530 660397758 /nfs/dbraw/zinc/39/77/58/660397758.db2.gz GIXXYVQGTCPOSL-UHFFFAOYSA-N 1 1 388.302 2.765 20 10 GFCDMO COc1cc(Br)cc(C[N@H+]2CC[C@H]([C@@H](O)C(F)(F)F)C2)c1O ZINC000825124014 660411681 /nfs/dbraw/zinc/41/16/81/660411681.db2.gz GKKNKSKSGOTRRH-ISVAXAHUSA-N 1 1 384.192 2.908 20 10 GFCDMO NC(=O)N[C@@H]1CC[N@H+](Cc2ccc(N3CCCCC3)c(Br)c2)C1 ZINC000838865718 661060282 /nfs/dbraw/zinc/06/02/82/661060282.db2.gz VDNCNBZDGAQSMV-CQSZACIVSA-N 1 1 381.318 2.682 20 10 GFCDMO NC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)c(Br)c2)C1 ZINC000838865718 661060285 /nfs/dbraw/zinc/06/02/85/661060285.db2.gz VDNCNBZDGAQSMV-CQSZACIVSA-N 1 1 381.318 2.682 20 10 GFCDMO OC[C@@]1(O)CCC[N@H+](Cc2ccc(N3CCCCC3)c(Br)c2)C1 ZINC000839154318 661073565 /nfs/dbraw/zinc/07/35/65/661073565.db2.gz CUVYRIVXFIATKO-GOSISDBHSA-N 1 1 383.330 2.759 20 10 GFCDMO OC[C@@]1(O)CCC[N@@H+](Cc2ccc(N3CCCCC3)c(Br)c2)C1 ZINC000839154318 661073568 /nfs/dbraw/zinc/07/35/68/661073568.db2.gz CUVYRIVXFIATKO-GOSISDBHSA-N 1 1 383.330 2.759 20 10 GFCDMO Cc1cc(Br)cc(C[N@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)c1O ZINC000275127360 655218285 /nfs/dbraw/zinc/21/82/85/655218285.db2.gz JKNLBUFOGQBALG-JTQLQIEISA-N 1 1 395.219 2.964 20 10 GFCDMO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2cccc(Br)c2O)C1 ZINC000769008478 656263099 /nfs/dbraw/zinc/26/30/99/656263099.db2.gz YPGLMQJTQLEKNQ-TZMCWYRMSA-N 1 1 385.302 2.518 20 10 GFCDMO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000769008478 656263101 /nfs/dbraw/zinc/26/31/01/656263101.db2.gz YPGLMQJTQLEKNQ-TZMCWYRMSA-N 1 1 385.302 2.518 20 10 GFCDMO CC[C@@H]([NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1)c1ccc(F)cc1O ZINC000796827986 658941984 /nfs/dbraw/zinc/94/19/84/658941984.db2.gz UOWIUZJLBOSEKV-CQSZACIVSA-N 1 1 380.432 2.836 20 10 GFCDMO O=S(=O)(NCC[NH2+]Cc1c(O)ccc(Cl)c1F)c1ccc(F)cc1F ZINC000799345872 659183509 /nfs/dbraw/zinc/18/35/09/659183509.db2.gz RMSODVSXRLQVCA-UHFFFAOYSA-N 1 1 394.802 2.531 20 10 GFCDMO CC(C)[C@@H](C(=O)NCc1cc(Br)ccc1O)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000804738951 659678728 /nfs/dbraw/zinc/67/87/28/659678728.db2.gz KIGPOIDCEYUDQP-XNJGSVPQSA-N 1 1 399.329 2.905 20 10 GFCDMO O=C(NCc1cccc(Br)c1O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000847446195 661592805 /nfs/dbraw/zinc/59/28/05/661592805.db2.gz LWLVBMMNKDNBEP-GJZGRUSLSA-N 1 1 382.302 2.971 20 10 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GFCDMO CC(C)[C@H](C(=O)NCc1cc(Br)ccc1O)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000804738950 659679019 /nfs/dbraw/zinc/67/90/19/659679019.db2.gz KIGPOIDCEYUDQP-PBFPGSCMSA-N 1 1 399.329 2.905 20 10 GFCDMO C[C@H]1C[N@H+](CCCNC(=O)NCc2cc(Cl)cc(Cl)c2O)CCCO1 ZINC000807179156 659849314 /nfs/dbraw/zinc/84/93/14/659849314.db2.gz AHGZXTVJQCPIEI-LBPRGKRZSA-N 1 1 390.311 2.999 20 10 GFCDMO C[C@H]1C[N@@H+](CCCNC(=O)NCc2cc(Cl)cc(Cl)c2O)CCCO1 ZINC000807179156 659849316 /nfs/dbraw/zinc/84/93/16/659849316.db2.gz AHGZXTVJQCPIEI-LBPRGKRZSA-N 1 1 390.311 2.999 20 10 GFCDMO COC(=O)c1cc(C(C)(C)[NH2+]Cc2cc(Br)cc(OC)c2O)no1 ZINC000810166701 659965293 /nfs/dbraw/zinc/96/52/93/659965293.db2.gz XNSGQCTWNYDNLH-UHFFFAOYSA-N 1 1 399.241 2.963 20 10 GFCDMO CCS(=O)(=O)N1CCC([NH2+][C@H](C)c2cccc(C(F)(F)F)c2O)CC1 ZINC000815558244 660125832 /nfs/dbraw/zinc/12/58/32/660125832.db2.gz WPZCNVLYXQHASF-LLVKDONJSA-N 1 1 380.432 2.876 20 10 GFCDMO CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2cc(C)cc(Br)c2O)C1 ZINC000843432201 661381205 /nfs/dbraw/zinc/38/12/05/661381205.db2.gz JLJNFQXVSGGZLL-AWEZNQCLSA-N 1 1 395.219 2.964 20 10 GFCDMO CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2cc(C)cc(Br)c2O)C1 ZINC000843432201 661381211 /nfs/dbraw/zinc/38/12/11/661381211.db2.gz JLJNFQXVSGGZLL-AWEZNQCLSA-N 1 1 395.219 2.964 20 10 GFCDMO COc1cc(Br)cc([C@H](C)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1O ZINC000848528159 661661594 /nfs/dbraw/zinc/66/15/94/661661594.db2.gz JHEVRFLWLJVBAO-IACUBPJLSA-N 1 1 385.302 2.677 20 10 GFCDMO COc1cc(Br)cc([C@H](C)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c1O ZINC000848528159 661661598 /nfs/dbraw/zinc/66/15/98/661661598.db2.gz JHEVRFLWLJVBAO-IACUBPJLSA-N 1 1 385.302 2.677 20 10 GFCDMO Cc1cc(Br)c(O)c(C[NH2+]CCS(=O)(=O)CC(F)(F)F)c1 ZINC000850364319 661772384 /nfs/dbraw/zinc/77/23/84/661772384.db2.gz AGZZXAODHJUGOM-UHFFFAOYSA-N 1 1 390.221 2.530 20 10 GFCDMO Cn1cc(C[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)c(Br)n1 ZINC000858106479 662099203 /nfs/dbraw/zinc/09/92/03/662099203.db2.gz JSDNFLDMVJBFCH-UHFFFAOYSA-N 1 1 397.292 2.573 20 10 GFCDMO Cc1cc(Br)cc(C[NH2+]C(c2ccnn2C)c2ccnn2C)c1O ZINC000862539125 662290475 /nfs/dbraw/zinc/29/04/75/662290475.db2.gz JUTDMQUHMCEALY-UHFFFAOYSA-N 1 1 390.285 2.809 20 10 GFCDMO COc1cc(Br)cc(C[NH2+]C2(c3ncccn3)CCOCC2)c1O ZINC000923008951 664620909 /nfs/dbraw/zinc/62/09/09/664620909.db2.gz BRXSCIKQZDUUDZ-UHFFFAOYSA-N 1 1 394.269 2.749 20 10 GFCDMO CCC[N@@H+](CCOc1ccc(-c2nn[nH]n2)cc1OC)Cc1ccccc1O ZINC000736480503 598983911 /nfs/dbraw/zinc/98/39/11/598983911.db2.gz QLGJKTILCAQMJT-UHFFFAOYSA-N 1 1 383.452 2.872 20 10 GFCDMO CCOc1ccc(C[N@@H+](CCOC)Cc2ccc(-c3nn[nH]n3)cc2)c(O)c1 ZINC000825639513 608567151 /nfs/dbraw/zinc/56/71/51/608567151.db2.gz YTDVMXUBXXBOSG-UHFFFAOYSA-N 1 1 383.452 2.620 20 10 GFCDMO CNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccc(N(C)Cc3cccs3)cc2)C1 ZINC000823489921 660373496 /nfs/dbraw/zinc/37/34/96/660373496.db2.gz PVSAGBCMHYSZIA-GOSISDBHSA-N 1 1 379.551 2.508 20 10 GFCDMO Cc1cc(C(=O)Cn2nnnc2C[NH3+])c(C)n1-c1cc(Cl)cc(Cl)c1 ZINC000830455592 660657576 /nfs/dbraw/zinc/65/75/76/660657576.db2.gz MZQMALNHIFCUPT-UHFFFAOYSA-N 1 1 379.251 2.729 20 10 GFCDMO O=C(NC[C@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1)[C@@H]1CCC[NH2+]1 ZINC000327195789 655385765 /nfs/dbraw/zinc/38/57/65/655385765.db2.gz GXGRIUYEADSQHZ-WBMJQRKESA-N 1 1 386.323 2.779 20 10 GFCDMO O=C(NC[C@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1)[C@H]1CCC[NH2+]1 ZINC000327195786 655385919 /nfs/dbraw/zinc/38/59/19/655385919.db2.gz GXGRIUYEADSQHZ-MLGOLLRUSA-N 1 1 386.323 2.779 20 10 GFCDMO CC[N@@H+](C)CCNC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000264852955 655472196 /nfs/dbraw/zinc/47/21/96/655472196.db2.gz CGUAIMCXLRWFBZ-OWBHPGMISA-N 1 1 397.591 2.797 20 10 GFCDMO COc1cc(Br)cc(C[N@H+](C)CC(=O)NCc2cccs2)c1O ZINC000769428178 656276331 /nfs/dbraw/zinc/27/63/31/656276331.db2.gz MVOHDNFROBUEOR-UHFFFAOYSA-N 1 1 399.310 2.973 20 10 GFCDMO COc1cc(Br)cc(C[N@@H+](C)CC(=O)NCc2cccs2)c1O ZINC000769428178 656276334 /nfs/dbraw/zinc/27/63/34/656276334.db2.gz MVOHDNFROBUEOR-UHFFFAOYSA-N 1 1 399.310 2.973 20 10 GFCDMO COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2cc(C)cc(Br)c2O)C1 ZINC000781897172 657086701 /nfs/dbraw/zinc/08/67/01/657086701.db2.gz DEALSGCCYTYUES-KGLIPLIRSA-N 1 1 399.329 2.826 20 10 GFCDMO COCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cc2cc(C)cc(Br)c2O)C1 ZINC000781897172 657086708 /nfs/dbraw/zinc/08/67/08/657086708.db2.gz DEALSGCCYTYUES-KGLIPLIRSA-N 1 1 399.329 2.826 20 10 GFCDMO Cc1cc(Br)c(O)c(C[NH+]2CCC(N3CCCNC3=O)CC2)c1 ZINC000781907842 657088725 /nfs/dbraw/zinc/08/87/25/657088725.db2.gz GBPGPWQBTTWJLX-UHFFFAOYSA-N 1 1 382.302 2.843 20 10 GFCDMO CN(C)c1ccc(C[NH2+][C@@H](C(N)=O)c2cccc(Br)c2)cc1F ZINC000793266974 658378475 /nfs/dbraw/zinc/37/84/75/658378475.db2.gz RLLVFULFZXMBCJ-MRXNPFEDSA-N 1 1 380.261 2.970 20 10 GFCDMO O=C(Cn1cc(Cl)cn1)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000807108522 659848394 /nfs/dbraw/zinc/84/83/94/659848394.db2.gz XPYBFGKMWWUYTI-HNNXBMFYSA-N 1 1 383.279 2.676 20 10 GFCDMO O=S1(=O)CCN(c2ccc(C[NH2+]Cc3cccc(O)c3Cl)cc2)CC1 ZINC000815127177 660113760 /nfs/dbraw/zinc/11/37/60/660113760.db2.gz XZQYHYJFOBEOIC-UHFFFAOYSA-N 1 1 380.897 2.570 20 10 GFCDMO COc1ccc(CNC(=[NH2+])NCc2cccc(Br)c2O)cc1OC ZINC000849105574 661691903 /nfs/dbraw/zinc/69/19/03/661691903.db2.gz WCYRSOUYYQNPHB-UHFFFAOYSA-N 1 1 394.269 2.986 20 10 GFCDMO CN(Cc1c(O)cccc1Br)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000862367542 662283121 /nfs/dbraw/zinc/28/31/21/662283121.db2.gz MLYDKBCVTKFLDR-OAHLLOKOSA-N 1 1 382.346 2.755 20 10 GFCDMO COc1cc(Br)cc(C[N@H+]2CC[C@@](CO)(C(F)(F)F)C2)c1O ZINC000895843420 663530060 /nfs/dbraw/zinc/53/00/60/663530060.db2.gz HWYNIDNCFAXXJM-CYBMUJFWSA-N 1 1 384.192 2.910 20 10 GFCDMO C[C@@H]([NH2+][C@H]1Cc2cc(Br)cnc2NC1=O)c1c(O)cccc1F ZINC000903326763 663782130 /nfs/dbraw/zinc/78/21/30/663782130.db2.gz RZUMGXGDXPKNEM-PELKAZGASA-N 1 1 380.217 2.903 20 10 GFCDMO Cc1cnc(Cl)c(C[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)c1 ZINC000921739082 664565877 /nfs/dbraw/zinc/56/58/77/664565877.db2.gz XBECXKBZEOIBDC-UHFFFAOYSA-N 1 1 379.913 2.568 20 10 GFCDMO Cn1ccnc1[C@@H](O)[C@H]1CCC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000180647441 552232592 /nfs/dbraw/zinc/23/25/92/552232592.db2.gz QJZMBNVEWDAXMR-LRDDRELGSA-N 1 1 380.286 2.834 20 10 GFCDMO CCOC(=O)C1([S@@](C)=O)CC[NH+]([C@@H](C)c2ccc(F)c(F)c2[O-])CC1 ZINC000296345356 563284023 /nfs/dbraw/zinc/28/40/23/563284023.db2.gz IBIRGCVZCPCJKG-JPQMIFPKSA-N 1 1 375.437 2.508 20 10 GFCDMO CC[N@@H+](Cc1cc(Br)ccc1O)[C@H]1CCN(c2ccn(C)n2)C1=O ZINC000363325249 563719687 /nfs/dbraw/zinc/71/96/87/563719687.db2.gz ANXRIQLKIGUSTQ-AWEZNQCLSA-N 1 1 393.285 2.516 20 10 GFCDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)c1cc(C)n(-c2ccc(-c3nn[nH]n3)cc2)c1C ZINC000736322536 598618682 /nfs/dbraw/zinc/61/86/82/598618682.db2.gz LJMDTCXHASWOGC-CQSZACIVSA-N 1 1 395.511 2.734 20 10 GFCDMO Oc1ccccc1C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1F)C[C@H]1CCCO1 ZINC000738400029 598619259 /nfs/dbraw/zinc/61/92/59/598619259.db2.gz AOTQOYWCKAWZKL-QGZVFWFLSA-N 1 1 383.427 2.893 20 10 GFCDMO Oc1ccc(Cl)cc1C[N@H+]1CCC[C@@H](Nc2ncccc2-c2nn[nH]n2)C1 ZINC000738400147 598628817 /nfs/dbraw/zinc/62/88/17/598628817.db2.gz DNYAQJNVPZJCQU-CQSZACIVSA-N 1 1 385.859 2.697 20 10 GFCDMO C[C@@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc(Br)ccc1[O-] ZINC000817971616 660212742 /nfs/dbraw/zinc/21/27/42/660212742.db2.gz FWBPTLFMARJNTB-YGRLFVJLSA-N 1 1 396.251 2.641 20 10 GFCDMO O=C(NCC(F)(F)F)[C@H]1CC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000825563317 660433429 /nfs/dbraw/zinc/43/34/29/660433429.db2.gz VKPOAHQCMPFGLX-JTQLQIEISA-N 1 1 381.192 2.655 20 10 GFCDMO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)[C@@H]1CSCCS1 ZINC000134262587 654988557 /nfs/dbraw/zinc/98/85/57/654988557.db2.gz DGLVCRCUHAXVBG-HOCLYGCPSA-N 1 1 386.970 2.975 20 10 GFCDMO O=C(N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)[C@@H]1CSCCS1 ZINC000134262587 654988560 /nfs/dbraw/zinc/98/85/60/654988560.db2.gz DGLVCRCUHAXVBG-HOCLYGCPSA-N 1 1 386.970 2.975 20 10 GFCDMO COC(=O)[C@H]1C[N@H+](Cc2c(O)ccc3cc(Br)ccc32)CCO1 ZINC000103134735 655067152 /nfs/dbraw/zinc/06/71/52/655067152.db2.gz QMVDVYUYUSBUGQ-MRXNPFEDSA-N 1 1 380.238 2.682 20 10 GFCDMO COC(=O)[C@H]1C[N@@H+](Cc2c(O)ccc3cc(Br)ccc32)CCO1 ZINC000103134735 655067155 /nfs/dbraw/zinc/06/71/55/655067155.db2.gz QMVDVYUYUSBUGQ-MRXNPFEDSA-N 1 1 380.238 2.682 20 10 GFCDMO C[N@H+]1CC[C@](O)(CNCc2ccc(N3CCCCC3)c(Br)c2)C1 ZINC000839011779 661067962 /nfs/dbraw/zinc/06/79/62/661067962.db2.gz OVAGXSFLQGVCMA-SFHVURJKSA-N 1 1 382.346 2.596 20 10 GFCDMO CN1CC[C@](O)(C[NH2+]Cc2ccc(N3CCCCC3)c(Br)c2)C1 ZINC000839011779 661067965 /nfs/dbraw/zinc/06/79/65/661067965.db2.gz OVAGXSFLQGVCMA-SFHVURJKSA-N 1 1 382.346 2.596 20 10 GFCDMO COCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1cc(Br)c(F)cc1O)CC2 ZINC000756759731 655904869 /nfs/dbraw/zinc/90/48/69/655904869.db2.gz XUWHDKRVGQGVTL-UWVGGRQHSA-N 1 1 399.264 2.697 20 10 GFCDMO COCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](Cc2cc(Br)cc(C)c2O)C1 ZINC000775664147 656661912 /nfs/dbraw/zinc/66/19/12/656661912.db2.gz UAOPRAFQZYQZEQ-KBPBESRZSA-N 1 1 399.329 2.826 20 10 GFCDMO O=C(NCC(F)(F)F)[C@H]1CC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000779195194 656904157 /nfs/dbraw/zinc/90/41/57/656904157.db2.gz APOVKTXCHZFDOR-JTQLQIEISA-N 1 1 381.192 2.655 20 10 GFCDMO O=C(NCC(F)(F)F)[C@H]1CC[N@H+](Cc2cccc(Br)c2O)C1 ZINC000779195194 656904160 /nfs/dbraw/zinc/90/41/60/656904160.db2.gz APOVKTXCHZFDOR-JTQLQIEISA-N 1 1 381.192 2.655 20 10 GFCDMO COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2cc(C)cc(Br)c2O)C1 ZINC000781897174 657087018 /nfs/dbraw/zinc/08/70/18/657087018.db2.gz DEALSGCCYTYUES-UONOGXRCSA-N 1 1 399.329 2.826 20 10 GFCDMO COCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](Cc2cc(C)cc(Br)c2O)C1 ZINC000781897174 657087022 /nfs/dbraw/zinc/08/70/22/657087022.db2.gz DEALSGCCYTYUES-UONOGXRCSA-N 1 1 399.329 2.826 20 10 GFCDMO CCOC(=O)[C@@]1(COC)CCC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000798965336 659158853 /nfs/dbraw/zinc/15/88/53/659158853.db2.gz ZDUUNIPCDRXMAO-KRWDZBQOSA-N 1 1 386.286 2.946 20 10 GFCDMO C[C@H]([NH2+]CCNC(=O)c1ccc(Br)cn1)c1ccc(F)cc1O ZINC000850494408 661779259 /nfs/dbraw/zinc/77/92/59/661779259.db2.gz OXBKXMUDHBQLMH-JTQLQIEISA-N 1 1 382.233 2.769 20 10 GFCDMO COc1ccc(C[NH2+]Cc2c(Br)cnn2C)cc1Cn1cccn1 ZINC000873149989 662801878 /nfs/dbraw/zinc/80/18/78/662801878.db2.gz HHEMZKYSPHNAIS-UHFFFAOYSA-N 1 1 390.285 2.726 20 10 GFCDMO Cc1cc(Br)c([O-])c(CN2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1 ZINC000877669427 662881390 /nfs/dbraw/zinc/88/13/90/662881390.db2.gz IYIOIHVXJWJRPY-HZPDHXFCSA-N 1 1 384.362 2.634 20 10 GFCDMO Cn1cc([C@H](O)C[C@H]2CCC[N@H+]2Cc2cc(Br)ccc2O)cn1 ZINC000373168116 563330170 /nfs/dbraw/zinc/33/01/70/563330170.db2.gz TYXACOMNNYFAJE-NVXWUHKLSA-N 1 1 380.286 2.976 20 10 GFCDMO C[N@@H+](CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)Cc1ccccc1O ZINC000736792187 598617526 /nfs/dbraw/zinc/61/75/26/598617526.db2.gz LCIKQINCRNUEEZ-UHFFFAOYSA-N 1 1 398.492 2.583 20 10 GFCDMO Oc1cccc(Cl)c1CN1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826511577 608509596 /nfs/dbraw/zinc/50/95/96/608509596.db2.gz WHDZXTBNDGBMRR-UHFFFAOYSA-N 1 1 398.898 2.934 20 10 GFCDMO c1cc(-c2nn[nH]n2)ccc1C[N@H+](Cc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000826513133 608520454 /nfs/dbraw/zinc/52/04/54/608520454.db2.gz AWOFZCGPNPJQCG-UHFFFAOYSA-N 1 1 390.491 2.868 20 10 GFCDMO CNc1nc(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)cs1 ZINC000123257275 654754584 /nfs/dbraw/zinc/75/45/84/654754584.db2.gz YYBVFIMAFMRDSP-CYBMUJFWSA-N 1 1 380.901 2.938 20 10 GFCDMO CNc1nc(C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)cs1 ZINC000123257275 654754586 /nfs/dbraw/zinc/75/45/86/654754586.db2.gz YYBVFIMAFMRDSP-CYBMUJFWSA-N 1 1 380.901 2.938 20 10 GFCDMO COc1cc(Br)cc(C[N@H+]2CCC[C@@H](CN3CCOCC3)C2)c1O ZINC000093017149 655016556 /nfs/dbraw/zinc/01/65/56/655016556.db2.gz MPGRSPATVHUYQT-AWEZNQCLSA-N 1 1 399.329 2.708 20 10 GFCDMO COc1cc(Br)cc(CN2CCC[C@@H](C[NH+]3CCOCC3)C2)c1O ZINC000093017149 655016564 /nfs/dbraw/zinc/01/65/64/655016564.db2.gz MPGRSPATVHUYQT-AWEZNQCLSA-N 1 1 399.329 2.708 20 10 GFCDMO Cc1nc([C@H](C)[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)c(C)s1 ZINC000750825631 655817719 /nfs/dbraw/zinc/81/77/19/655817719.db2.gz OKSGMUBREALOSC-ZDUSSCGKSA-N 1 1 379.551 2.846 20 10 GFCDMO C[C@H]([NH2+]C[C@@H]1CCCCS1(=O)=O)c1cc(Br)c(F)cc1O ZINC000757657973 655914818 /nfs/dbraw/zinc/91/48/18/655914818.db2.gz UWRUGVROLPMEHO-UWVGGRQHSA-N 1 1 380.279 2.912 20 10 GFCDMO COc1ccc(N2CC[NH+](C[C@@H](O)CSc3nc(C)cs3)CC2)cc1 ZINC000758198973 655926035 /nfs/dbraw/zinc/92/60/35/655926035.db2.gz ZGZKNBNMEVGFIZ-MRXNPFEDSA-N 1 1 379.551 2.735 20 10 GFCDMO COC(=O)[C@@H]1CSCC[N@@H+](Cc2cc(Br)cc(OC)c2O)C1 ZINC000840976002 661224025 /nfs/dbraw/zinc/22/40/25/661224025.db2.gz CHWBGUZFFCDZBL-NSHDSACASA-N 1 1 390.299 2.501 20 10 GFCDMO Cn1nccc1C([NH2+]Cc1ccc(Br)cc1O)c1ccnn1C ZINC000862540909 662290632 /nfs/dbraw/zinc/29/06/32/662290632.db2.gz MLVVJOUWEUZIDS-UHFFFAOYSA-N 1 1 376.258 2.501 20 10 GFCDMO C[NH+]1CCN(c2ccc(CNCc3ccc(Br)cn3)cc2)CC1 ZINC000865810178 662444933 /nfs/dbraw/zinc/44/49/33/662444933.db2.gz AFRSAWRXPJZLGV-UHFFFAOYSA-N 1 1 375.314 2.886 20 10 GFCDMO O=C1NCCN1Cc1ccc(C[NH2+]Cc2cccc(Br)c2O)cc1 ZINC000865816499 662445210 /nfs/dbraw/zinc/44/52/10/662445210.db2.gz KXSVTUSDWHGOBH-UHFFFAOYSA-N 1 1 390.281 2.970 20 10 GFCDMO COc1cc(Br)cc(C[N@H+]2CCC[C@H]([C@@]3(C)COC(=O)N3)C2)c1O ZINC000896394807 663555330 /nfs/dbraw/zinc/55/53/30/663555330.db2.gz FXZBPTTXXVVTKE-YVEFUNNKSA-N 1 1 399.285 2.874 20 10 GFCDMO COc1cc(Br)cc(C[N@H+]2CCC[C@H]([C@]3(C)COC(=O)N3)C2)c1O ZINC000896394804 663555396 /nfs/dbraw/zinc/55/53/96/663555396.db2.gz FXZBPTTXXVVTKE-SJCJKPOMSA-N 1 1 399.285 2.874 20 10 GFCDMO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cccc(Br)c1[O-])C2 ZINC000922388075 664598148 /nfs/dbraw/zinc/59/81/48/664598148.db2.gz NZLLJDSYHSTWPA-LMSBXDPUSA-N 1 1 383.330 2.724 20 10 GFCDMO COc1cc(Cl)cc(C[N@@H+](C)[C@H](C)c2cccc(S(N)(=O)=O)c2)c1O ZINC000184684254 552342195 /nfs/dbraw/zinc/34/21/95/552342195.db2.gz FHKQWKIUDDRUGI-LLVKDONJSA-N 1 1 384.885 2.895 20 10 GFCDMO CCCn1nc2c(cc1=O)C[N@@H+](Cc1cc(Br)ccc1O)CC2 ZINC000371311247 563272630 /nfs/dbraw/zinc/27/26/30/563272630.db2.gz UHTNTVABYWSJMV-UHFFFAOYSA-N 1 1 378.270 2.680 20 10 GFCDMO CCCn1nc2c(cc1=O)C[N@H+](Cc1cc(Br)ccc1O)CC2 ZINC000371311247 563272632 /nfs/dbraw/zinc/27/26/32/563272632.db2.gz UHTNTVABYWSJMV-UHFFFAOYSA-N 1 1 378.270 2.680 20 10 GFCDMO CCC[N@H+](Cc1ccccc1O)[C@H](C(=O)OC)c1cccc(-c2nn[nH]n2)c1 ZINC000821109187 607453766 /nfs/dbraw/zinc/45/37/66/607453766.db2.gz BKPBACRPJQPLNW-SFHVURJKSA-N 1 1 381.436 2.699 20 10 GFCDMO CCC[N@@H+](Cc1ccccc1O)[C@H](C(=O)OC)c1cccc(-c2nn[nH]n2)c1 ZINC000821109187 607453769 /nfs/dbraw/zinc/45/37/69/607453769.db2.gz BKPBACRPJQPLNW-SFHVURJKSA-N 1 1 381.436 2.699 20 10 GFCDMO CCOc1cccc(C[N@@H+](CCOC)Cc2ccc(-c3nn[nH]n3)cc2)c1O ZINC000825648793 608566722 /nfs/dbraw/zinc/56/67/22/608566722.db2.gz CVNPNMJMDDRBPW-UHFFFAOYSA-N 1 1 383.452 2.620 20 10 GFCDMO CN(C)c1ccc(C[N@H+]2CCCN(c3ccccc3-c3nn[nH]n3)CC2)cc1F ZINC000825879181 608584644 /nfs/dbraw/zinc/58/46/44/608584644.db2.gz IVIWSJDDTINHQX-UHFFFAOYSA-N 1 1 395.486 2.784 20 10 GFCDMO CN(C)c1ccc(C[NH+]2CCN(c3cccc(F)c3-c3nn[nH]n3)CC2)cc1F ZINC000825879264 608595509 /nfs/dbraw/zinc/59/55/09/608595509.db2.gz JPABEOYWFQYEAL-UHFFFAOYSA-N 1 1 399.449 2.533 20 10 GFCDMO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)Cc1cc(Br)ccc1O ZINC000092585278 655014624 /nfs/dbraw/zinc/01/46/24/655014624.db2.gz BALFPFBYTNVKDW-NSHDSACASA-N 1 1 399.310 2.995 20 10 GFCDMO COc1cc(Br)cc(C[N@H+]2CCCC[C@H]2CN2CCOCC2)c1O ZINC000093011083 655016729 /nfs/dbraw/zinc/01/67/29/655016729.db2.gz GEPARDRFYOGXBF-INIZCTEOSA-N 1 1 399.329 2.850 20 10 GFCDMO CC[N@@H+](CC(=O)N1C[C@H](C)O[C@@H](C)C1)Cc1cc(Br)ccc1O ZINC000743870788 655732162 /nfs/dbraw/zinc/73/21/62/655732162.db2.gz AYRHRIXCKXJDJB-STQMWFEESA-N 1 1 385.302 2.612 20 10 GFCDMO C[C@H]([NH2+]CCS(=O)(=O)CC1CC1)c1cc(Br)c(F)cc1O ZINC000756762105 655904843 /nfs/dbraw/zinc/90/48/43/655904843.db2.gz ODGRSOYRVWQBLV-VIFPVBQESA-N 1 1 380.279 2.769 20 10 GFCDMO O=S1(=O)CCc2cc(C[NH2+]Cc3cccc(Br)c3O)ccc21 ZINC000757694630 655915478 /nfs/dbraw/zinc/91/54/78/655915478.db2.gz WNPIXHGOIOTBRH-UHFFFAOYSA-N 1 1 382.279 2.774 20 10 GFCDMO COc1ccccc1CCNC(=O)C[NH2+]Cc1cccc(Br)c1O ZINC000797883260 659063397 /nfs/dbraw/zinc/06/33/97/659063397.db2.gz BJCSILBKXSTFAS-UHFFFAOYSA-N 1 1 393.281 2.612 20 10 GFCDMO CS(=O)(=O)[C@@H]1CC[N@@H+](Cc2c(O)ccc3cc(Br)ccc32)C1 ZINC000799949945 659249643 /nfs/dbraw/zinc/24/96/43/659249643.db2.gz ZOXQXHOXBNGLAJ-CYBMUJFWSA-N 1 1 384.295 2.927 20 10 GFCDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)NCc2cc(Br)ccc2O)C1 ZINC000805199219 659754914 /nfs/dbraw/zinc/75/49/14/659754914.db2.gz YZHBJWCRSFQARG-CYBMUJFWSA-N 1 1 384.318 2.932 20 10 GFCDMO COc1cc(Br)cc(C[N@@H+](CCCO)Cc2ccccn2)c1O ZINC000809746237 659938075 /nfs/dbraw/zinc/93/80/75/659938075.db2.gz OPECTTCEPFPBFV-UHFFFAOYSA-N 1 1 381.270 2.943 20 10 GFCDMO C[C@H]([NH2+]CC1CCN(S(C)(=O)=O)CC1)c1cccc(C(F)(F)F)c1O ZINC000815572993 660125830 /nfs/dbraw/zinc/12/58/30/660125830.db2.gz UYIKMQMOZMXXIU-NSHDSACASA-N 1 1 380.432 2.733 20 10 GFCDMO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O)c1cccc(C(F)(F)F)c1O ZINC000858498038 662113499 /nfs/dbraw/zinc/11/34/99/662113499.db2.gz KKOCAWHYBZFNHI-LERXQTSPSA-N 1 1 380.432 2.922 20 10 GFCDMO Cn1cc([C@@H](O)C[C@@H]2CCC[N@H+]2Cc2c(O)cccc2Br)cn1 ZINC000862251911 662277890 /nfs/dbraw/zinc/27/78/90/662277890.db2.gz ACRKVCHOXVVPMQ-GUYCJALGSA-N 1 1 380.286 2.976 20 10 GFCDMO O=C(NCC(F)(F)F)[C@H]1CC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000862333497 662281386 /nfs/dbraw/zinc/28/13/86/662281386.db2.gz SHYVDRGVKFSPNX-VIFPVBQESA-N 1 1 381.192 2.655 20 10 GFCDMO Oc1cccc(Br)c1C[N@@H+]1Cc2cccnc2N2C[C@H](O)C[C@H]2C1 ZINC000862422983 662287044 /nfs/dbraw/zinc/28/70/44/662287044.db2.gz MJVWXYXYTKYYIS-UONOGXRCSA-N 1 1 390.281 2.505 20 10 GFCDMO Oc1cccc(Br)c1C[N@H+]1Cc2cccnc2N2C[C@H](O)C[C@H]2C1 ZINC000862422983 662287048 /nfs/dbraw/zinc/28/70/48/662287048.db2.gz MJVWXYXYTKYYIS-UONOGXRCSA-N 1 1 390.281 2.505 20 10 GFCDMO C[C@@H]([NH2+][C@@H]1Cc2cc(Br)cnc2NC1=O)c1c(O)cccc1F ZINC000903326764 663782060 /nfs/dbraw/zinc/78/20/60/663782060.db2.gz RZUMGXGDXPKNEM-PRHODGIISA-N 1 1 380.217 2.903 20 10 GFCDMO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1nccnc1Cl ZINC000907061255 663998260 /nfs/dbraw/zinc/99/82/60/663998260.db2.gz UDHMDKTWYPCMDV-CYBMUJFWSA-N 1 1 381.263 2.883 20 10 GFCDMO O=C(N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)c1nccnc1Cl ZINC000907061255 663998263 /nfs/dbraw/zinc/99/82/63/663998263.db2.gz UDHMDKTWYPCMDV-CYBMUJFWSA-N 1 1 381.263 2.883 20 10 GFCDMO Cc1cc(Br)cc(C[N@H+](C)C[C@@H](O)COCCOC(C)C)c1O ZINC000179846668 552205005 /nfs/dbraw/zinc/20/50/05/552205005.db2.gz JVTPCWVXLUVPIZ-MRXNPFEDSA-N 1 1 390.318 2.697 20 10 GFCDMO COc1cc(Br)cc(C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)c1O ZINC000365557189 563786808 /nfs/dbraw/zinc/78/68/08/563786808.db2.gz QXEGJDPSOPXXIT-NVGCLXPQSA-N 1 1 386.286 2.932 20 10 GFCDMO CC(C)[N@@H+](Cc1cnc2ccc(-c3nn[nH]n3)cn12)Cc1ccc(N(C)C)cc1 ZINC000824297059 608533577 /nfs/dbraw/zinc/53/35/77/608533577.db2.gz PCIWEGCKOCRHDN-UHFFFAOYSA-N 1 1 390.495 2.991 20 10 GFCDMO COCC[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1ccc(N(C)C)c(F)c1 ZINC000826158785 608566696 /nfs/dbraw/zinc/56/66/96/608566696.db2.gz CLEOVGFBFXYVKP-UHFFFAOYSA-N 1 1 384.459 2.720 20 10 GFCDMO Cn1ccnc1[C@H](O)[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2O)C1 ZINC000824926093 660405405 /nfs/dbraw/zinc/40/54/05/660405405.db2.gz BJPZRCDLRALJKA-XJKSGUPXSA-N 1 1 380.286 2.834 20 10 GFCDMO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1ccc(Cl)nn1 ZINC000827095366 660478829 /nfs/dbraw/zinc/47/88/29/660478829.db2.gz FFLCSLLPPGMCEH-ZDUSSCGKSA-N 1 1 381.263 2.883 20 10 GFCDMO O=C(N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)c1ccc(Cl)nn1 ZINC000827095366 660478832 /nfs/dbraw/zinc/47/88/32/660478832.db2.gz FFLCSLLPPGMCEH-ZDUSSCGKSA-N 1 1 381.263 2.883 20 10 GFCDMO COc1cccc(C[N@H+](C)CC(=O)Nc2ccc(Br)cn2)c1O ZINC000093004953 655016427 /nfs/dbraw/zinc/01/64/27/655016427.db2.gz ONYGXVJYPBZWIC-UHFFFAOYSA-N 1 1 380.242 2.629 20 10 GFCDMO COc1cccc(C[N@@H+](C)CC(=O)Nc2ccc(Br)cn2)c1O ZINC000093004953 655016429 /nfs/dbraw/zinc/01/64/29/655016429.db2.gz ONYGXVJYPBZWIC-UHFFFAOYSA-N 1 1 380.242 2.629 20 10 GFCDMO COc1cc(Br)cc(C[N@H+]2CCCN(c3cccnn3)CC2)c1O ZINC000093150011 655017907 /nfs/dbraw/zinc/01/79/07/655017907.db2.gz LRHLYHZYDLEYNK-UHFFFAOYSA-N 1 1 393.285 2.666 20 10 GFCDMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)NCCCSc2nccs2)C[C@@H](C)O1 ZINC000151904099 655055207 /nfs/dbraw/zinc/05/52/07/655055207.db2.gz VQUUUOCGKUFSFW-ZIAGYGMSSA-N 1 1 386.587 2.812 20 10 GFCDMO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)Cc1cc(Br)ccc1O ZINC000119439317 655303934 /nfs/dbraw/zinc/30/39/34/655303934.db2.gz UXSMPYWJZSJBRZ-LLVKDONJSA-N 1 1 399.310 2.995 20 10 GFCDMO C[N@@H+](Cc1cccc(Br)c1[O-])[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000245760028 655428470 /nfs/dbraw/zinc/42/84/70/655428470.db2.gz PNVDNEZOXGOKCO-ZIAGYGMSSA-N 1 1 376.316 2.942 20 10 GFCDMO Oc1c(Br)cccc1C[NH2+]Cc1cccc(N2CCOCC2)n1 ZINC000775362583 656632338 /nfs/dbraw/zinc/63/23/38/656632338.db2.gz WTMCYIXDRFIFHS-UHFFFAOYSA-N 1 1 378.270 2.676 20 10 GFCDMO COCC[N@H+](Cc1cc(Br)cc(C)c1O)C[C@@H](O)C(F)(F)F ZINC000848922208 661688707 /nfs/dbraw/zinc/68/87/07/661688707.db2.gz MMZUULYRBVVZFC-GFCCVEGCSA-N 1 1 386.208 2.835 20 10 GFCDMO Cn1ccnc1[C@H](O)[C@H]1CCC[N@@H+](Cc2c(O)cccc2Br)C1 ZINC000862253532 662278399 /nfs/dbraw/zinc/27/83/99/662278399.db2.gz OWIBDXJQXBOQAV-BLLLJJGKSA-N 1 1 380.286 2.834 20 10 GFCDMO NC(=O)Cc1cccc2c1CC[N@@H+](Cc1c(O)cccc1Br)C2 ZINC000877678993 662881807 /nfs/dbraw/zinc/88/18/07/662881807.db2.gz WGZIELPXNPCKKX-UHFFFAOYSA-N 1 1 375.266 2.741 20 10 GFCDMO O=C(NCc1cc(Cl)cc(Cl)c1O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892764402 663384119 /nfs/dbraw/zinc/38/41/19/663384119.db2.gz UJWGRRGMILIULP-ZDUSSCGKSA-N 1 1 388.295 2.657 20 10 GFCDMO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1c([O-])cccc1Br)C2 ZINC000922391578 664598913 /nfs/dbraw/zinc/59/89/13/664598913.db2.gz WSCOWQPVCSNWHJ-DDBAPUKQSA-N 1 1 383.330 2.724 20 10 GFCDMO CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1c([O-])cccc1Br)C2 ZINC000922391578 664598915 /nfs/dbraw/zinc/59/89/15/664598915.db2.gz WSCOWQPVCSNWHJ-DDBAPUKQSA-N 1 1 383.330 2.724 20 10 GFCDMO COc1cc(Br)cc(CN2CC[N@H+](C3CCOCC3)C[C@H]2C)c1O ZINC000369486032 563215325 /nfs/dbraw/zinc/21/53/25/563215325.db2.gz SXSXOFHDEMXKDN-CYBMUJFWSA-N 1 1 399.329 2.848 20 10 GFCDMO Oc1c(Br)cccc1C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC000823726599 599457663 /nfs/dbraw/zinc/45/76/63/599457663.db2.gz DCRVPOYNNOEGIM-UHFFFAOYSA-N 1 1 378.205 2.764 20 10 GFCDMO Oc1cc2c(cc1C[N@H+]1CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C1)CCC2 ZINC000826511018 608055116 /nfs/dbraw/zinc/05/51/16/608055116.db2.gz YAUWDEQDHFODIJ-FQEVSTJZSA-N 1 1 377.448 2.635 20 10 GFCDMO C[C@@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(Br)cc1[O-] ZINC000817971305 660212769 /nfs/dbraw/zinc/21/27/69/660212769.db2.gz CDMBPRUKEWHATK-YGRLFVJLSA-N 1 1 396.251 2.641 20 10 GFCDMO Cn1ccnc1[C@@H](O)C1CC[NH+](Cc2cccc(Br)c2O)CC1 ZINC000093454808 655019856 /nfs/dbraw/zinc/01/98/56/655019856.db2.gz WTPBKBUOUWKLCJ-INIZCTEOSA-N 1 1 380.286 2.834 20 10 GFCDMO COc1ccc(O)c(C[N@H+](C)[C@H](C(N)=O)c2cccc(Br)c2)c1 ZINC000136967298 655037377 /nfs/dbraw/zinc/03/73/77/655037377.db2.gz VIKJYAGDNXMELC-INIZCTEOSA-N 1 1 379.254 2.822 20 10 GFCDMO COc1ccc(O)c(C[N@@H+](C)[C@H](C(N)=O)c2cccc(Br)c2)c1 ZINC000136967298 655037380 /nfs/dbraw/zinc/03/73/80/655037380.db2.gz VIKJYAGDNXMELC-INIZCTEOSA-N 1 1 379.254 2.822 20 10 GFCDMO CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000153745630 655070316 /nfs/dbraw/zinc/07/03/16/655070316.db2.gz VFGBKEUCHGBJSF-GFCCVEGCSA-N 1 1 387.343 2.941 20 10 GFCDMO C[N@H+]1CC[C@@](O)(CNCc2ccc(N3CCCCC3)c(Br)c2)C1 ZINC000839011777 661067867 /nfs/dbraw/zinc/06/78/67/661067867.db2.gz OVAGXSFLQGVCMA-GOSISDBHSA-N 1 1 382.346 2.596 20 10 GFCDMO CN1CC[C@@](O)(C[NH2+]Cc2ccc(N3CCCCC3)c(Br)c2)C1 ZINC000839011777 661067872 /nfs/dbraw/zinc/06/78/72/661067872.db2.gz OVAGXSFLQGVCMA-GOSISDBHSA-N 1 1 382.346 2.596 20 10 GFCDMO COc1ccc(N2CC[NH+](C[C@H](O)CSc3nc(C)cs3)CC2)cc1 ZINC000758198971 655926001 /nfs/dbraw/zinc/92/60/01/655926001.db2.gz ZGZKNBNMEVGFIZ-INIZCTEOSA-N 1 1 379.551 2.735 20 10 GFCDMO COc1cc(Br)cc(CN2CCC[N@@H+](C[C@H]3CCCO3)CC2)c1O ZINC000768252038 656235693 /nfs/dbraw/zinc/23/56/93/656235693.db2.gz UFTKRQBHXYCNKJ-MRXNPFEDSA-N 1 1 399.329 2.850 20 10 GFCDMO COCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000769008502 656263104 /nfs/dbraw/zinc/26/31/04/656263104.db2.gz ZBRSQJAVNURZHX-OLZOCXBDSA-N 1 1 385.302 2.518 20 10 GFCDMO COc1ccnc(N2CC[NH+](Cc3cc(Br)cc(C)c3O)CC2)n1 ZINC000775648262 656659518 /nfs/dbraw/zinc/65/95/18/656659518.db2.gz CHYXCCDLDFIOGW-UHFFFAOYSA-N 1 1 393.285 2.584 20 10 GFCDMO Cc1cc(Br)cc([C@@H](C)[NH2+]CCCN2CCC[C@@H](C(N)=O)C2)c1O ZINC000779022616 656897609 /nfs/dbraw/zinc/89/76/09/656897609.db2.gz VOGAMIAQCLDBSI-ZIAGYGMSSA-N 1 1 398.345 2.701 20 10 GFCDMO CCOC(=O)[C@]1(COC)CCC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000798965337 659158984 /nfs/dbraw/zinc/15/89/84/659158984.db2.gz ZDUUNIPCDRXMAO-QGZVFWFLSA-N 1 1 386.286 2.946 20 10 GFCDMO CN(CC[NH2+]Cc1cc(Cl)c(F)cc1O)S(=O)(=O)c1cccs1 ZINC000816558103 660161356 /nfs/dbraw/zinc/16/13/56/660161356.db2.gz NBEPSPYACWKJJO-UHFFFAOYSA-N 1 1 378.878 2.657 20 10 GFCDMO C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c3nonc32)c2ccccc2C[NH2+]1 ZINC000842481331 661341364 /nfs/dbraw/zinc/34/13/64/661341364.db2.gz HOAFDNJILNKZRU-SNVBAGLBSA-N 1 1 378.841 2.563 20 10 GFCDMO CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2cc(Br)cc(C)c2O)C1 ZINC000843432722 661381537 /nfs/dbraw/zinc/38/15/37/661381537.db2.gz OKFUOIVLFQMIHH-AWEZNQCLSA-N 1 1 395.219 2.964 20 10 GFCDMO Oc1ccc(Br)cc1C[N@@H+]1Cc2cccnc2N2C[C@H](O)C[C@H]2C1 ZINC000856534426 662037045 /nfs/dbraw/zinc/03/70/45/662037045.db2.gz NSTNZGGJCRIQNF-JKSUJKDBSA-N 1 1 390.281 2.505 20 10 GFCDMO Oc1ccc(Br)cc1C[N@H+]1Cc2cccnc2N2C[C@H](O)C[C@H]2C1 ZINC000856534426 662037050 /nfs/dbraw/zinc/03/70/50/662037050.db2.gz NSTNZGGJCRIQNF-JKSUJKDBSA-N 1 1 390.281 2.505 20 10 GFCDMO O=S1(=O)Cc2ccccc2[C@@H]([NH2+]Cc2cc(Br)ccc2O)C1 ZINC000857061716 662062049 /nfs/dbraw/zinc/06/20/49/662062049.db2.gz UQPOZHMCZRPMIZ-HNNXBMFYSA-N 1 1 382.279 2.914 20 10 GFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2CCc3ncc(Br)n3C2)c1 ZINC000903477542 663785215 /nfs/dbraw/zinc/78/52/15/663785215.db2.gz DCUAXRVAJYLEDL-CMPLNLGQSA-N 1 1 394.269 2.803 20 10 GFCDMO CC(C)N1CC[NH+](CCCC(=O)NCc2cc(Br)ccc2O)CC1 ZINC000908170211 664089155 /nfs/dbraw/zinc/08/91/55/664089155.db2.gz KHGXIRMYQQLJQO-UHFFFAOYSA-N 1 1 398.345 2.577 20 10 GFCDMO CCN1CCN([C@@H]2CC[N@H+](Cc3cc(Br)cc(C)c3O)C2)CC1 ZINC000180068909 552212327 /nfs/dbraw/zinc/21/23/27/552212327.db2.gz YQLFYZSZJSSHNO-QGZVFWFLSA-N 1 1 382.346 2.675 20 10 GFCDMO CCN1CCN([C@@H]2CC[N@@H+](Cc3cc(Br)cc(C)c3O)C2)CC1 ZINC000180068909 552212329 /nfs/dbraw/zinc/21/23/29/552212329.db2.gz YQLFYZSZJSSHNO-QGZVFWFLSA-N 1 1 382.346 2.675 20 10 GFCDMO Cn1ccnc1[C@H](O)[C@@H]1CCC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000180647384 552232363 /nfs/dbraw/zinc/23/23/63/552232363.db2.gz QJZMBNVEWDAXMR-MLGOLLRUSA-N 1 1 380.286 2.834 20 10 GFCDMO CC[N@@H+](Cc1cc(Br)ccc1O)[C@H]1CCN(C2CCOCC2)C1=O ZINC000370055973 563232413 /nfs/dbraw/zinc/23/24/13/563232413.db2.gz OAMFXBSTCDJZGQ-INIZCTEOSA-N 1 1 397.313 2.757 20 10 GFCDMO CCOC(=O)C1([S@@](C)=O)CC[NH+]([C@H](C)c2ccc(F)c(F)c2[O-])CC1 ZINC000296345365 563283916 /nfs/dbraw/zinc/28/39/16/563283916.db2.gz IBIRGCVZCPCJKG-SSINHNECSA-N 1 1 375.437 2.508 20 10 GFCDMO COc1cc(Br)cc(C[N@@H+]2C[C@H](C)OC3(CCOCC3)C2)c1O ZINC000365790676 563793530 /nfs/dbraw/zinc/79/35/30/563793530.db2.gz UJYQNGZBTGNIMF-LBPRGKRZSA-N 1 1 386.286 2.933 20 10 GFCDMO COc1cc(Br)cc(C[N@H+]2C[C@H](C)OC3(CCOCC3)C2)c1O ZINC000365790676 563793531 /nfs/dbraw/zinc/79/35/31/563793531.db2.gz UJYQNGZBTGNIMF-LBPRGKRZSA-N 1 1 386.286 2.933 20 10 GFCDMO C[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(Br)cc1[O-] ZINC000368330701 563868879 /nfs/dbraw/zinc/86/88/79/563868879.db2.gz XRVTYYSJTYIBDJ-UKRRQHHQSA-N 1 1 382.346 2.974 20 10 GFCDMO CN(C)c1ccc(C[N@H+](CC(=O)Nc2sccc2-c2nn[nH]n2)C2CC2)cc1 ZINC000821589655 607364386 /nfs/dbraw/zinc/36/43/86/607364386.db2.gz XSZPDQNIAJGXFA-UHFFFAOYSA-N 1 1 397.508 2.597 20 10 GFCDMO CN(C)c1ccc(C[N@@H+](CC(=O)Nc2sccc2-c2nn[nH]n2)C2CC2)cc1 ZINC000821589655 607364387 /nfs/dbraw/zinc/36/43/87/607364387.db2.gz XSZPDQNIAJGXFA-UHFFFAOYSA-N 1 1 397.508 2.597 20 10 GFCDMO CC[N@@H+](Cc1ccnc(-c2nn[nH]n2)c1)Cc1cc(Br)ccc1O ZINC000825439809 607508058 /nfs/dbraw/zinc/50/80/58/607508058.db2.gz PCFOIVCJCVUNFV-UHFFFAOYSA-N 1 1 389.257 2.752 20 10 GFCDMO Cn1ccnc1[C@H](O)[C@H]1CCC[N@H+](Cc2cccc(Br)c2O)C1 ZINC000180652609 655329099 /nfs/dbraw/zinc/32/90/99/655329099.db2.gz ZLALTFWNNASGDO-XJKSGUPXSA-N 1 1 380.286 2.834 20 10 GFCDMO Cn1ccnc1[C@H](O)[C@H]1CCC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000180652609 655329101 /nfs/dbraw/zinc/32/91/01/655329101.db2.gz ZLALTFWNNASGDO-XJKSGUPXSA-N 1 1 380.286 2.834 20 10 GFCDMO CNC(=O)COc1cccc(C[NH2+]Cc2cc(C)cc(Br)c2O)c1 ZINC000796530434 658922180 /nfs/dbraw/zinc/92/21/80/658922180.db2.gz KKUYJFKIASVRBW-UHFFFAOYSA-N 1 1 393.281 2.878 20 10 GFCDMO CNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cc(Br)cc(OC)c1O ZINC000809779784 659938945 /nfs/dbraw/zinc/93/89/45/659938945.db2.gz ZUANZYOYQSUMAH-ZDUSSCGKSA-N 1 1 387.274 2.874 20 10 GFCDMO CNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1cc(Br)cc(OC)c1O ZINC000809779784 659938948 /nfs/dbraw/zinc/93/89/48/659938948.db2.gz ZUANZYOYQSUMAH-ZDUSSCGKSA-N 1 1 387.274 2.874 20 10 GFCDMO C[N@H+]1CCCC[C@@H]1CN1CCN(Cc2c(O)cccc2Br)CC1 ZINC000862241787 662276612 /nfs/dbraw/zinc/27/66/12/662276612.db2.gz ZIANDICMGADSQN-OAHLLOKOSA-N 1 1 382.346 2.757 20 10 GFCDMO C[C@@H]([NH2+]C[C@H]1CCN(S(=O)(=O)c2cccs2)C1)c1ccc(F)cc1O ZINC000375837663 563420598 /nfs/dbraw/zinc/42/05/98/563420598.db2.gz HGOPRYXTJGNVIV-CHWSQXEVSA-N 1 1 384.498 2.954 20 10 GFCDMO O=C(c1ccccn1)N1CCC[N@@H+](Cc2cc(Br)ccc2O)CC1 ZINC000362621931 563707738 /nfs/dbraw/zinc/70/77/38/563707738.db2.gz KXCMKWOQLVKZIQ-UHFFFAOYSA-N 1 1 390.281 2.898 20 10 GFCDMO O=C(c1ccccn1)N1CCC[N@H+](Cc2cc(Br)ccc2O)CC1 ZINC000362621931 563707740 /nfs/dbraw/zinc/70/77/40/563707740.db2.gz KXCMKWOQLVKZIQ-UHFFFAOYSA-N 1 1 390.281 2.898 20 10 GFCDMO Cc1cc(C(=O)NCCC[N@H+](C)C(C)C)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737236920 598610919 /nfs/dbraw/zinc/61/09/19/598610919.db2.gz UVIICMVFBZRWNF-UHFFFAOYSA-N 1 1 395.511 2.734 20 10 GFCDMO Oc1ccccc1C[N@H+](Cc1cccc(-c2nn[nH]n2)c1F)C[C@@H]1CCCO1 ZINC000826511609 608407653 /nfs/dbraw/zinc/40/76/53/608407653.db2.gz XMXHAJZAJKZGFF-INIZCTEOSA-N 1 1 383.427 2.893 20 10 GFCDMO CCOCCCNC(=O)C1CC[NH+](Cc2cccc(Br)c2O)CC1 ZINC000153201163 655065184 /nfs/dbraw/zinc/06/51/84/655065184.db2.gz QDSJIDDFTBEJPA-UHFFFAOYSA-N 1 1 399.329 2.910 20 10 GFCDMO [NH3+]CC[C@@H](NCc1cc(Br)cc(Br)c1O)C(F)F ZINC000841072903 661231077 /nfs/dbraw/zinc/23/10/77/661231077.db2.gz CKRICHTZWPYYDD-SECBINFHSA-N 1 1 388.050 2.989 20 10 GFCDMO COC(=O)C[C@H]1CSCC[N@@H+]1Cc1cc(Br)cc(OC)c1O ZINC000769471212 656277284 /nfs/dbraw/zinc/27/72/84/656277284.db2.gz RDAKZXNCSVOFED-LBPRGKRZSA-N 1 1 390.299 2.644 20 10 GFCDMO COC(=O)C[C@H]1CSCC[N@H+]1Cc1cc(Br)cc(OC)c1O ZINC000769471212 656277285 /nfs/dbraw/zinc/27/72/85/656277285.db2.gz RDAKZXNCSVOFED-LBPRGKRZSA-N 1 1 390.299 2.644 20 10 GFCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCCn2cc(Br)cn2)c1 ZINC000806659815 659839271 /nfs/dbraw/zinc/83/92/71/659839271.db2.gz GFWMIHFYFKLZHA-LLVKDONJSA-N 1 1 382.258 2.879 20 10 GFCDMO O=C(NCc1cc(Br)ccc1O)c1cc(C[NH+]2CCCC2)on1 ZINC000812574438 660030339 /nfs/dbraw/zinc/03/03/39/660030339.db2.gz QFALOQSEZNLHGG-UHFFFAOYSA-N 1 1 380.242 2.669 20 10 GFCDMO C[C@H]1CN(S(=O)(=O)c2ccc(Cl)c3nonc32)c2ccccc2C[NH2+]1 ZINC000842481330 661341396 /nfs/dbraw/zinc/34/13/96/661341396.db2.gz HOAFDNJILNKZRU-JTQLQIEISA-N 1 1 378.841 2.563 20 10 GFCDMO CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000843432940 661381518 /nfs/dbraw/zinc/38/15/18/661381518.db2.gz RRIAJLVCPKGVPK-CYBMUJFWSA-N 1 1 381.192 2.655 20 10 GFCDMO O=C(NCc1cc(Cl)cc(Cl)c1O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000852639370 661869361 /nfs/dbraw/zinc/86/93/61/661869361.db2.gz VGSYIONAQHMVAR-AWEZNQCLSA-N 1 1 388.295 2.752 20 10 GFCDMO CCc1noc(C[C@@]2(O)CCC[N@@H+](Cc3ccc(Br)cc3O)C2)n1 ZINC000856597075 662037613 /nfs/dbraw/zinc/03/76/13/662037613.db2.gz RZWSYDZGJMDXTO-KRWDZBQOSA-N 1 1 396.285 2.670 20 10 GFCDMO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2c(O)cccc2Br)C1 ZINC000862232212 662275153 /nfs/dbraw/zinc/27/51/53/662275153.db2.gz UFCKETWJMSJXSB-CHWSQXEVSA-N 1 1 385.302 2.518 20 10 GFCDMO COc1cc(Br)cc(C[N@H+]2C[C@@H](CO)[C@H](C(F)(F)F)C2)c1O ZINC000877693526 662881949 /nfs/dbraw/zinc/88/19/49/662881949.db2.gz JFHRLTYWQVSMHE-GXSJLCMTSA-N 1 1 384.192 2.766 20 10 GFCDMO C[C@@H]([NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1c(O)cccc1F ZINC000886526111 663113430 /nfs/dbraw/zinc/11/34/30/663113430.db2.gz FMCWUYULCYIMJQ-SNVBAGLBSA-N 1 1 384.395 2.744 20 10 GFCDMO CN(C)C(=O)OC1CCN(Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000894862481 663485433 /nfs/dbraw/zinc/48/54/33/663485433.db2.gz AVRFHJKLORJREH-UHFFFAOYSA-N 1 1 375.238 2.956 20 10 GFCDMO COc1cc(Br)cc(C[N@H+]2CCC[C@@H]([C@]3(C)COC(=O)N3)C2)c1O ZINC000896394802 663555219 /nfs/dbraw/zinc/55/52/19/663555219.db2.gz FXZBPTTXXVVTKE-PXAZEXFGSA-N 1 1 399.285 2.874 20 10 GFCDMO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1c([O-])cccc1Br)C2 ZINC000922391579 664598846 /nfs/dbraw/zinc/59/88/46/664598846.db2.gz WSCOWQPVCSNWHJ-NRSFXHEJSA-N 1 1 383.330 2.724 20 10 GFCDMO CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1c([O-])cccc1Br)C2 ZINC000922391579 664598847 /nfs/dbraw/zinc/59/88/47/664598847.db2.gz WSCOWQPVCSNWHJ-NRSFXHEJSA-N 1 1 383.330 2.724 20 10 GFCDMO O=C(COCC(F)(F)F)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000158084623 551546594 /nfs/dbraw/zinc/54/65/94/551546594.db2.gz QFJZZDIBCCOKCS-ZDUSSCGKSA-N 1 1 380.794 2.705 20 10 GFCDMO COc1cc(Br)cc(C[N@@H+]2C[C@H](C)O[C@]3(CCCOC3)C2)c1O ZINC000370712476 563253169 /nfs/dbraw/zinc/25/31/69/563253169.db2.gz VSHXYWITPCARJD-YVEFUNNKSA-N 1 1 386.286 2.933 20 10 GFCDMO COc1cc(Br)cc(C[N@H+]2C[C@H](C)O[C@]3(CCCOC3)C2)c1O ZINC000370712476 563253174 /nfs/dbraw/zinc/25/31/74/563253174.db2.gz VSHXYWITPCARJD-YVEFUNNKSA-N 1 1 386.286 2.933 20 10 GFCDMO COc1ccc(N2CCC[N@@H+](Cc3ccc(OC)c(-c4nn[nH]n4)c3)CC2)cc1 ZINC000826208825 607489150 /nfs/dbraw/zinc/48/91/50/607489150.db2.gz BLBUWWXQZNNDLY-UHFFFAOYSA-N 1 1 394.479 2.596 20 10 GFCDMO COc1ccc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)cc1-c1nn[nH]n1 ZINC000826193940 607519975 /nfs/dbraw/zinc/51/99/75/607519975.db2.gz VLINKIOCZBUACA-KRWDZBQOSA-N 1 1 395.463 2.762 20 10 GFCDMO O=S1(=O)C[C@H](C[NH2+]Cc2cccc(Br)c2O)c2ccccc21 ZINC000824516303 660395518 /nfs/dbraw/zinc/39/55/18/660395518.db2.gz LUDLJQZWSNQKJH-LBPRGKRZSA-N 1 1 382.279 2.815 20 10 GFCDMO COc1c(O)c(C[NH2+]C[C@@H](O)c2ccccc2Br)ccc1[N+](=O)[O-] ZINC000825344089 660421962 /nfs/dbraw/zinc/42/19/62/660421962.db2.gz UGXUENPMDHCYCN-CQSZACIVSA-N 1 1 397.225 2.895 20 10 GFCDMO O=C(c1ccncc1)N1CCC[N@@H+](Cc2cc(Br)ccc2O)CC1 ZINC000128847992 654852818 /nfs/dbraw/zinc/85/28/18/654852818.db2.gz LRZOKISNHRCLFK-UHFFFAOYSA-N 1 1 390.281 2.898 20 10 GFCDMO O=C(c1ccncc1)N1CCC[N@H+](Cc2cc(Br)ccc2O)CC1 ZINC000128847992 654852821 /nfs/dbraw/zinc/85/28/21/654852821.db2.gz LRZOKISNHRCLFK-UHFFFAOYSA-N 1 1 390.281 2.898 20 10 GFCDMO CC[N@H+](Cc1cc(Br)cc(OC)c1O)[C@H](C)CS(=O)(=O)CC ZINC000093413792 655019271 /nfs/dbraw/zinc/01/92/71/655019271.db2.gz VGKKZBDVGREDJB-LLVKDONJSA-N 1 1 394.331 2.808 20 10 GFCDMO CC[N@@H+](Cc1cc(Br)cc(OC)c1O)[C@H](C)CS(=O)(=O)CC ZINC000093413792 655019272 /nfs/dbraw/zinc/01/92/72/655019272.db2.gz VGKKZBDVGREDJB-LLVKDONJSA-N 1 1 394.331 2.808 20 10 GFCDMO O=C(NCCCSc1nccs1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000154583458 655076838 /nfs/dbraw/zinc/07/68/38/655076838.db2.gz FSJSBHIIFBKXHX-OAHLLOKOSA-N 1 1 384.571 2.522 20 10 GFCDMO [O-]c1c(Br)cccc1C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000702652545 655521654 /nfs/dbraw/zinc/52/16/54/655521654.db2.gz MARNAOGPRDELOB-IBGZPJMESA-N 1 1 391.309 2.881 20 10 GFCDMO [O-]c1c(Br)cccc1C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000702652545 655521655 /nfs/dbraw/zinc/52/16/55/655521655.db2.gz MARNAOGPRDELOB-IBGZPJMESA-N 1 1 391.309 2.881 20 10 GFCDMO C[C@@H]([NH2+]CCS(=O)(=O)NC(C)(C)C)c1cc(Br)c(F)cc1O ZINC000756483440 655900504 /nfs/dbraw/zinc/90/05/04/655900504.db2.gz NUPGINSGRFFACZ-SECBINFHSA-N 1 1 397.310 2.662 20 10 GFCDMO O=C(NCCCSc1nccs1)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000764360633 656109279 /nfs/dbraw/zinc/10/92/79/656109279.db2.gz OVMSODSGJOKKFQ-CABCVRRESA-N 1 1 384.571 2.568 20 10 GFCDMO O=C(NCCCSc1nccs1)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000764360640 656109350 /nfs/dbraw/zinc/10/93/50/656109350.db2.gz OVMSODSGJOKKFQ-HUUCEWRRSA-N 1 1 384.571 2.568 20 10 GFCDMO Oc1c(Br)cc(Br)cc1CN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000775748397 656678550 /nfs/dbraw/zinc/67/85/50/656678550.db2.gz YDOREODZVCRZKS-NXEZZACHSA-N 1 1 376.092 2.568 20 10 GFCDMO O=C(CCOCC(F)F)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000790788120 658023501 /nfs/dbraw/zinc/02/35/01/658023501.db2.gz RFAUNIMWCKKDER-AWEZNQCLSA-N 1 1 376.831 2.798 20 10 GFCDMO O=C(NCc1cccc(Br)c1O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000847446194 661592709 /nfs/dbraw/zinc/59/27/09/661592709.db2.gz LWLVBMMNKDNBEP-CABCVRRESA-N 1 1 382.302 2.971 20 10 GFCDMO COCC[N@@H+](Cc1cc(C)cc(Br)c1O)C[C@@H](O)C(F)(F)F ZINC000848922500 661688766 /nfs/dbraw/zinc/68/87/66/661688766.db2.gz VCYHZILCXSQKOB-GFCCVEGCSA-N 1 1 386.208 2.835 20 10 GFCDMO COCC[N@H+](Cc1cc(C)cc(Br)c1O)C[C@@H](O)C(F)(F)F ZINC000848922500 661688772 /nfs/dbraw/zinc/68/87/72/661688772.db2.gz VCYHZILCXSQKOB-GFCCVEGCSA-N 1 1 386.208 2.835 20 10 GFCDMO CCOc1ccc(N2CC[NH+](Cc3c(O)cccc3Br)CC2)nn1 ZINC000862418310 662286877 /nfs/dbraw/zinc/28/68/77/662286877.db2.gz MSVUWYITVFCAQI-UHFFFAOYSA-N 1 1 393.285 2.666 20 10 GFCDMO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cc(Br)ccc1[O-])C2 ZINC000922389372 664598538 /nfs/dbraw/zinc/59/85/38/664598538.db2.gz UBOTWWDXUIQNEE-DDBAPUKQSA-N 1 1 383.330 2.724 20 10 GFCDMO CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cc(Br)ccc1[O-])C2 ZINC000922389372 664598539 /nfs/dbraw/zinc/59/85/39/664598539.db2.gz UBOTWWDXUIQNEE-DDBAPUKQSA-N 1 1 383.330 2.724 20 10 GFCDMO CC[N@H+](Cc1cc(Br)ccc1O)C[C@H]1CCCS(=O)(=O)C1 ZINC000283911789 563459013 /nfs/dbraw/zinc/45/90/13/563459013.db2.gz BTXKIPHOUUQSRW-GFCCVEGCSA-N 1 1 376.316 2.801 20 10 GFCDMO COc1cc(Br)cc(CN2CCC[C@H]2C[N@H+]2CCC[C@H]2CO)c1O ZINC000367467778 563845728 /nfs/dbraw/zinc/84/57/28/563845728.db2.gz VWGKDLGKIPXHLK-HOTGVXAUSA-N 1 1 399.329 2.584 20 10 GFCDMO CCC[N@@H+](CCC(=O)Nc1cccc(-c2nn[nH]n2)c1)Cc1ccccc1O ZINC000821095144 599637336 /nfs/dbraw/zinc/63/73/36/599637336.db2.gz YQVKBJXBGSAXID-UHFFFAOYSA-N 1 1 380.452 2.813 20 10 GFCDMO COc1ccc(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)cc1-c1nn[nH]n1 ZINC000826193941 607520338 /nfs/dbraw/zinc/52/03/38/607520338.db2.gz VLINKIOCZBUACA-QGZVFWFLSA-N 1 1 395.463 2.762 20 10 GFCDMO COc1cc(Br)cc(C[N@H+]2C[C@H](O)C[C@H]2[C@@H]2CCCOC2)c1O ZINC000824653754 660398749 /nfs/dbraw/zinc/39/87/49/660398749.db2.gz HEILJAHALIBFMZ-DFBGVHRSSA-N 1 1 386.286 2.525 20 10 GFCDMO C[C@@H]([NH2+]CCS(=O)(=O)C1CCOCC1)c1cc(Cl)c(Cl)cc1O ZINC000834890327 660837067 /nfs/dbraw/zinc/83/70/67/660837067.db2.gz LYCMDMVIMDJUHH-SNVBAGLBSA-N 1 1 382.309 2.943 20 10 GFCDMO CN(C)C[C@](C)(O)C[NH2+]Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000838978299 661066802 /nfs/dbraw/zinc/06/68/02/661066802.db2.gz ALRRXHZWTNHUFK-GOSISDBHSA-N 1 1 384.362 2.842 20 10 GFCDMO CC[N@H+](Cc1cc(Br)ccc1O)C[C@@H](O)COC[C@@H]1CCCO1 ZINC000174424494 655201996 /nfs/dbraw/zinc/20/19/96/655201996.db2.gz RFGZMUOTJVLHGA-CVEARBPZSA-N 1 1 388.302 2.533 20 10 GFCDMO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)c1O ZINC000275147451 655219693 /nfs/dbraw/zinc/21/96/93/655219693.db2.gz XBFHLGQLQZLDBN-JTQLQIEISA-N 1 1 378.778 2.749 20 10 GFCDMO CCN(CC(=O)NC1CC[NH+](CC)CC1)Cc1cc(Br)ccc1O ZINC000743870986 655732287 /nfs/dbraw/zinc/73/22/87/655732287.db2.gz KTVFDTBRNPXEBZ-UHFFFAOYSA-N 1 1 398.345 2.577 20 10 GFCDMO [NH3+]CC1(O)CCN(Cc2ccc(N3CCCCC3)c(Br)c2)CC1 ZINC000841108220 661233487 /nfs/dbraw/zinc/23/34/87/661233487.db2.gz QPYMFJIBZACDED-UHFFFAOYSA-N 1 1 382.346 2.725 20 10 GFCDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)NCc1cc(Br)ccc1O ZINC000806650781 659839248 /nfs/dbraw/zinc/83/92/48/659839248.db2.gz DTKHRTVMOOQELT-LLVKDONJSA-N 1 1 381.274 2.795 20 10 GFCDMO Cc1cc(S(=O)(=O)NCC[NH2+]Cc2cc(Cl)c(F)cc2O)c(C)s1 ZINC000816558001 660161081 /nfs/dbraw/zinc/16/10/81/660161081.db2.gz JGOYSJLXYYUKBV-UHFFFAOYSA-N 1 1 392.905 2.931 20 10 GFCDMO Cc1cc(C(=O)NC[C@H]2CC[N@H+](C)C2)c(C)n1-c1ccc(Br)cn1 ZINC000843772566 661392155 /nfs/dbraw/zinc/39/21/55/661392155.db2.gz UNBUYSBHFSKQSQ-CQSZACIVSA-N 1 1 391.313 2.933 20 10 GFCDMO CCS(=O)(=O)C1(C[NH2+][C@H](C)c2cc(Br)c(F)cc2O)CC1 ZINC000850558686 661781543 /nfs/dbraw/zinc/78/15/43/661781543.db2.gz SUJUVRDNDWRTKN-SECBINFHSA-N 1 1 380.279 2.912 20 10 GFCDMO C[C@@H]([NH2+]Cc1c(I)cnn1C)c1ccc(N(C)C)cc1 ZINC000866629784 662484943 /nfs/dbraw/zinc/48/49/43/662484943.db2.gz MFBPADFKKFISHX-LLVKDONJSA-N 1 1 384.265 2.942 20 10 GFCDMO CN(C)c1ccc([C@H](C[NH2+]Cc2c(Br)cnn2C)N(C)C)cc1 ZINC000898449596 663650050 /nfs/dbraw/zinc/65/00/50/663650050.db2.gz HXJASUCARCVMTF-INIZCTEOSA-N 1 1 380.334 2.641 20 10 GFCDMO C[C@@H]([NH2+][C@@H]1Cc2cc(Br)cnc2NC1=O)c1ccc(F)cc1O ZINC000903325691 663781939 /nfs/dbraw/zinc/78/19/39/663781939.db2.gz MDXVBBARROTGFJ-AMIZOPFISA-N 1 1 380.217 2.903 20 10 GFCDMO