smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])[C@H](Cc1c[nH]c2cc(F)ccc12)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000426766749 1126089305 /nfs/dbraw/zinc/08/93/05/1126089305.db2.gz GVWUQGFPVPOAIH-FQEVSTJZSA-N 1 2 378.407 3.278 10 0 GGAELO CS(=O)(=O)N(Cc1cn2c([nH+]1)CCCC2)Cc1ccccc1C(F)(F)F ZINC000328625086 203763448 /nfs/dbraw/zinc/76/34/48/203763448.db2.gz KKDCIOCYLDZVEA-UHFFFAOYSA-N 1 2 387.427 3.200 10 0 GGAELO Cn1ncc2c1nc[nH+]c2N1CCC[C@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000025568580 203789689 /nfs/dbraw/zinc/78/96/89/203789689.db2.gz IFBOLEHZOIWEQX-AWEZNQCLSA-N 1 2 391.262 3.278 10 0 GGAELO CCOC(=O)C1CC[NH+](Cc2cc(=O)n3c(-c4ccccc4)csc3n2)CC1 ZINC000003348882 204000733 /nfs/dbraw/zinc/00/07/33/204000733.db2.gz JDUKFELKBIWFJZ-UHFFFAOYSA-N 1 2 397.500 3.198 10 0 GGAELO COc1ccc(Cl)cc1NC(=O)C[N@H+](C)Cc1cccc(OC)c1OC ZINC000003415689 204005668 /nfs/dbraw/zinc/00/56/68/204005668.db2.gz NSSKBGIUOSUVML-UHFFFAOYSA-N 1 2 378.856 3.436 10 0 GGAELO COc1ccc(Cl)cc1NC(=O)C[N@@H+](C)Cc1cccc(OC)c1OC ZINC000003415689 204005671 /nfs/dbraw/zinc/00/56/71/204005671.db2.gz NSSKBGIUOSUVML-UHFFFAOYSA-N 1 2 378.856 3.436 10 0 GGAELO COc1cc(NCc2ccc3[nH+]c(N)nc(N)c3c2Cl)cc(OC)c1OC ZINC000003814857 204019087 /nfs/dbraw/zinc/01/90/87/204019087.db2.gz NSEUBMXNDPFXNO-UHFFFAOYSA-N 1 2 389.843 3.086 10 0 GGAELO CC[C@H](c1nnc(SCC(=O)NC(C)(C)C)n1Cc1ccccc1)[NH+](C)C ZINC000004494464 204047000 /nfs/dbraw/zinc/04/70/00/204047000.db2.gz AADMDCYXQLULJD-MRXNPFEDSA-N 1 2 389.569 3.346 10 0 GGAELO CC[C@@H](c1nnc(SCC(=O)NC(C)(C)C)n1Cc1ccccc1)[NH+](C)C ZINC000004494463 204047307 /nfs/dbraw/zinc/04/73/07/204047307.db2.gz AADMDCYXQLULJD-INIZCTEOSA-N 1 2 389.569 3.346 10 0 GGAELO CC[N@H+](CCCNC(=O)CCN1C(=O)COc2ccccc21)c1cccc(C)c1 ZINC000004669396 204062138 /nfs/dbraw/zinc/06/21/38/204062138.db2.gz YGOAVDKUXZDLER-UHFFFAOYSA-N 1 2 395.503 3.143 10 0 GGAELO CC[N@@H+](CCCNC(=O)CCN1C(=O)COc2ccccc21)c1cccc(C)c1 ZINC000004669396 204062142 /nfs/dbraw/zinc/06/21/42/204062142.db2.gz YGOAVDKUXZDLER-UHFFFAOYSA-N 1 2 395.503 3.143 10 0 GGAELO COc1cc(Cl)c(C)cc1NC(=O)Cn1c(NCCO)[nH+]c2ccccc21 ZINC000005265012 204121402 /nfs/dbraw/zinc/12/14/02/204121402.db2.gz DHNCOVOPSGLMRN-UHFFFAOYSA-N 1 2 388.855 3.050 10 0 GGAELO CC(C)N(Cc1ccccc1)C(=O)Cn1c2ccccc2[nH+]c1NC[C@H](C)O ZINC000005694299 204146841 /nfs/dbraw/zinc/14/68/41/204146841.db2.gz MWBOFLGKKWWPOD-KRWDZBQOSA-N 1 2 380.492 3.266 10 0 GGAELO Cc1ccc(C)c(Cc2c(C)[nH+]c(C)nc2N2CCN(C(=O)C3CC3)CC2)c1 ZINC000006834143 204214128 /nfs/dbraw/zinc/21/41/28/204214128.db2.gz YZCIMOOFDZNIGQ-UHFFFAOYSA-N 1 2 378.520 3.360 10 0 GGAELO Cc1cccc(Cc2c(C)[nH+]c(C)nc2N2CCN(C(=O)C3CCC3)CC2)c1 ZINC000006776054 204203227 /nfs/dbraw/zinc/20/32/27/204203227.db2.gz XJHSRSAZUZDPMS-UHFFFAOYSA-N 1 2 378.520 3.441 10 0 GGAELO CC[N@H+](CCCNC(=O)c1ccc2c(c1)NC(=O)CN2C)c1cccc(C)c1 ZINC000006920021 204223994 /nfs/dbraw/zinc/22/39/94/204223994.db2.gz IKEKSMGTESWVCT-UHFFFAOYSA-N 1 2 380.492 3.030 10 0 GGAELO CC[N@@H+](CCCNC(=O)c1ccc2c(c1)NC(=O)CN2C)c1cccc(C)c1 ZINC000006920021 204223996 /nfs/dbraw/zinc/22/39/96/204223996.db2.gz IKEKSMGTESWVCT-UHFFFAOYSA-N 1 2 380.492 3.030 10 0 GGAELO COc1ccccc1C(=O)Nc1c2ccccc2oc1C(=O)N1CC[NH+](C)CC1 ZINC000007001723 204228826 /nfs/dbraw/zinc/22/88/26/204228826.db2.gz BIDNDUHADSCRNM-UHFFFAOYSA-N 1 2 393.443 3.081 10 0 GGAELO CC[NH+]1CCN(c2ccccc2NS(=O)(=O)c2ccc(Cl)cc2F)CC1 ZINC000007109297 204234253 /nfs/dbraw/zinc/23/42/53/204234253.db2.gz LMZVIHJLROZLAR-UHFFFAOYSA-N 1 2 397.903 3.422 10 0 GGAELO COc1ccccc1N1CCN(C(=O)C[N@H+](Cc2ccccc2F)C2CC2)CC1 ZINC000007251393 204237691 /nfs/dbraw/zinc/23/76/91/204237691.db2.gz HMJFLNPJMAWWNS-UHFFFAOYSA-N 1 2 397.494 3.148 10 0 GGAELO COc1ccccc1N1CCN(C(=O)C[N@@H+](Cc2ccccc2F)C2CC2)CC1 ZINC000007251393 204237694 /nfs/dbraw/zinc/23/76/94/204237694.db2.gz HMJFLNPJMAWWNS-UHFFFAOYSA-N 1 2 397.494 3.148 10 0 GGAELO C[C@@H](NC(=O)[C@H]1CCCN1C(=O)c1cccs1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000007980438 204256903 /nfs/dbraw/zinc/25/69/03/204256903.db2.gz JGVYDLQGDDZGMP-CRAIPNDOSA-N 1 2 394.500 3.416 10 0 GGAELO COc1ccc(CNC(=O)C2CCN(c3[nH]c4ccccc4[nH+]3)CC2)c(OC)c1 ZINC000008599643 204281298 /nfs/dbraw/zinc/28/12/98/204281298.db2.gz LRXRYZAOZYVTRB-UHFFFAOYSA-N 1 2 394.475 3.113 10 0 GGAELO C[C@@H](NC(=O)c1ccc(CN2CCCC2=O)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000008707589 204284599 /nfs/dbraw/zinc/28/45/99/204284599.db2.gz NYSOYDPHPOXIDR-QGZVFWFLSA-N 1 2 388.471 3.486 10 0 GGAELO C[C@H](NC(=O)C1CCN(C(=O)c2ccco2)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000008720193 204286567 /nfs/dbraw/zinc/28/65/67/204286567.db2.gz QQPMMICXLNAKRP-INIZCTEOSA-N 1 2 392.459 3.195 10 0 GGAELO C[C@@H](NC(=O)CCn1c(=O)oc2ccccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000008746347 204287797 /nfs/dbraw/zinc/28/77/97/204287797.db2.gz VTKNYIIQXFFRCW-OAHLLOKOSA-N 1 2 376.416 3.048 10 0 GGAELO COc1ccc(OCCN(C)C(=O)/C=C/c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000008164297 204263910 /nfs/dbraw/zinc/26/39/10/204263910.db2.gz PIIGGHPFTQQJHT-LFYBBSHMSA-N 1 2 377.444 3.432 10 0 GGAELO NC(=O)c1ccsc1NC(=O)C[N@@H+]1CCc2sccc2[C@@H]1c1ccccc1 ZINC000008325353 204272158 /nfs/dbraw/zinc/27/21/58/204272158.db2.gz LWFZIMDLAQQBJJ-SFHVURJKSA-N 1 2 397.525 3.495 10 0 GGAELO NC(=O)c1ccsc1NC(=O)C[N@H+]1CCc2sccc2[C@@H]1c1ccccc1 ZINC000008325353 204272160 /nfs/dbraw/zinc/27/21/60/204272160.db2.gz LWFZIMDLAQQBJJ-SFHVURJKSA-N 1 2 397.525 3.495 10 0 GGAELO Cc1ccc2[nH+]c(COC(=O)C3CCN(C(=O)c4ccc(F)cc4)CC3)cn2c1 ZINC000008482229 204277815 /nfs/dbraw/zinc/27/78/15/204277815.db2.gz CCZLGSBDCUPMCE-UHFFFAOYSA-N 1 2 395.434 3.377 10 0 GGAELO Cc1sc2nc(-c3cccc(NC(=O)Cn4cc[nH+]c4)c3)[nH]c(=O)c2c1C ZINC000010809628 204339203 /nfs/dbraw/zinc/33/92/03/204339203.db2.gz XXAFFNCADMTEGE-UHFFFAOYSA-N 1 2 379.445 3.104 10 0 GGAELO C[C@H]1Cc2ccccc2N1CC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000009313674 204306712 /nfs/dbraw/zinc/30/67/12/204306712.db2.gz YSSSBLIFSDFHAA-BTYIYWSLSA-N 1 2 378.451 3.216 10 0 GGAELO CC[C@@H](CNC(=O)[C@H](C)Sc1nnc(C[NH+]2CCCC2)o1)c1ccccc1 ZINC000009313638 204307265 /nfs/dbraw/zinc/30/72/65/204307265.db2.gz BUXFWJILNXWLNS-HOTGVXAUSA-N 1 2 388.537 3.456 10 0 GGAELO CC[C@H](CNC(=O)[C@@H](C)Sc1nnc(C[NH+]2CCCC2)o1)c1ccccc1 ZINC000009313637 204307516 /nfs/dbraw/zinc/30/75/16/204307516.db2.gz BUXFWJILNXWLNS-HZPDHXFCSA-N 1 2 388.537 3.456 10 0 GGAELO COc1ccc(F)cc1C[N@H+](C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C ZINC000009389937 204310444 /nfs/dbraw/zinc/31/04/44/204310444.db2.gz HVKAMHFDLXLUFU-CQSZACIVSA-N 1 2 385.439 3.030 10 0 GGAELO COc1ccc(F)cc1C[N@@H+](C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C ZINC000009389937 204310449 /nfs/dbraw/zinc/31/04/49/204310449.db2.gz HVKAMHFDLXLUFU-CQSZACIVSA-N 1 2 385.439 3.030 10 0 GGAELO C[C@H](NC(=O)CSc1[nH+]cnc2c1cnn2-c1ccccc1)c1ccco1 ZINC000009603591 204318107 /nfs/dbraw/zinc/31/81/07/204318107.db2.gz XWKZVSPRDUEFRJ-ZDUSSCGKSA-N 1 2 379.445 3.378 10 0 GGAELO C[C@@H](NC(=O)CSc1[nH+]cnc2c1cnn2-c1ccccc1)c1ccco1 ZINC000009603594 204318136 /nfs/dbraw/zinc/31/81/36/204318136.db2.gz XWKZVSPRDUEFRJ-CYBMUJFWSA-N 1 2 379.445 3.378 10 0 GGAELO C[N@H+](CC(=O)Nc1c(Cl)cccc1Cl)Cc1cc(=O)n2ccccc2n1 ZINC000009762699 204323672 /nfs/dbraw/zinc/32/36/72/204323672.db2.gz YEMUABAVHKKCOY-UHFFFAOYSA-N 1 2 391.258 3.072 10 0 GGAELO C[N@@H+](CC(=O)Nc1c(Cl)cccc1Cl)Cc1cc(=O)n2ccccc2n1 ZINC000009762699 204323676 /nfs/dbraw/zinc/32/36/76/204323676.db2.gz YEMUABAVHKKCOY-UHFFFAOYSA-N 1 2 391.258 3.072 10 0 GGAELO O=C(C[N@@H+]1CCC[C@H]1c1ccccc1)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000010089435 204330181 /nfs/dbraw/zinc/33/01/81/204330181.db2.gz HHLGKWOENBYEBA-RTWAWAEBSA-N 1 2 398.528 3.044 10 0 GGAELO O=C(C[N@H+]1CCC[C@H]1c1ccccc1)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000010089435 204330184 /nfs/dbraw/zinc/33/01/84/204330184.db2.gz HHLGKWOENBYEBA-RTWAWAEBSA-N 1 2 398.528 3.044 10 0 GGAELO C[C@H]1C[C@H]1c1ccc(C[N@H+](C)CC(=O)Nc2ccccc2C(=O)NC2CC2)o1 ZINC000009114622 204299829 /nfs/dbraw/zinc/29/98/29/204299829.db2.gz MQYPNTSSIFSBNO-KBXCAEBGSA-N 1 2 381.476 3.366 10 0 GGAELO C[C@H]1C[C@H]1c1ccc(C[N@@H+](C)CC(=O)Nc2ccccc2C(=O)NC2CC2)o1 ZINC000009114622 204299832 /nfs/dbraw/zinc/29/98/32/204299832.db2.gz MQYPNTSSIFSBNO-KBXCAEBGSA-N 1 2 381.476 3.366 10 0 GGAELO C[C@H]1C[C@H]1c1ccc(C[N@H+](C)CC(=O)Nc2ccccc2N2CCOCC2)o1 ZINC000009113139 204299956 /nfs/dbraw/zinc/29/99/56/204299956.db2.gz BCJQRJUYRZTKPZ-FUHWJXTLSA-N 1 2 383.492 3.310 10 0 GGAELO C[C@H]1C[C@H]1c1ccc(C[N@@H+](C)CC(=O)Nc2ccccc2N2CCOCC2)o1 ZINC000009113139 204299960 /nfs/dbraw/zinc/29/99/60/204299960.db2.gz BCJQRJUYRZTKPZ-FUHWJXTLSA-N 1 2 383.492 3.310 10 0 GGAELO C[C@@H]1C[C@H]1c1ccc(C[N@H+](C)CC(=O)Nc2ccccc2C(=O)NC2CC2)o1 ZINC000009114621 204300038 /nfs/dbraw/zinc/30/00/38/204300038.db2.gz MQYPNTSSIFSBNO-RDTXWAMCSA-N 1 2 381.476 3.366 10 0 GGAELO C[C@@H]1C[C@H]1c1ccc(C[N@@H+](C)CC(=O)Nc2ccccc2C(=O)NC2CC2)o1 ZINC000009114621 204300043 /nfs/dbraw/zinc/30/00/43/204300043.db2.gz MQYPNTSSIFSBNO-RDTXWAMCSA-N 1 2 381.476 3.366 10 0 GGAELO CCN(C(=O)CNc1ccc([NH+]2CCCCC2)cc1C(N)=O)c1ccc(F)cc1 ZINC000011010457 204341389 /nfs/dbraw/zinc/34/13/89/204341389.db2.gz YODSNJHDFYMYHP-UHFFFAOYSA-N 1 2 398.482 3.380 10 0 GGAELO Cc1[nH+]c2ccccn2c1CN(C)C(=O)CCc1nnc(-c2ccsc2)o1 ZINC000012445177 204411193 /nfs/dbraw/zinc/41/11/93/204411193.db2.gz LSLNVMLWBPVQGU-UHFFFAOYSA-N 1 2 381.461 3.345 10 0 GGAELO Cc1ncc(C(=O)N2CC[C@@H](C3CC[NH+](Cc4cccc(F)c4F)CC3)C2)[nH]1 ZINC000012299902 204391580 /nfs/dbraw/zinc/39/15/80/204391580.db2.gz ZEBSTYDNMIDXSY-MRXNPFEDSA-N 1 2 388.462 3.371 10 0 GGAELO COc1ccc(C[NH+]2CCN(C(=O)c3ccc4c(c3)CCC4)CC2)cc1OC ZINC000023732015 204811552 /nfs/dbraw/zinc/81/15/52/204811552.db2.gz SMBWUSBFCQTKPP-UHFFFAOYSA-N 1 2 380.488 3.151 10 0 GGAELO Cn1cc[nH+]c1[C@H](NC(=O)c1cc(Cl)c2c(c1)OCCO2)c1ccccc1 ZINC000023774933 204812477 /nfs/dbraw/zinc/81/24/77/204812477.db2.gz HWKNSBLOIAILFI-QGZVFWFLSA-N 1 2 383.835 3.364 10 0 GGAELO O=c1[nH]c(CN2CC[NH+](Cc3ccccc3F)CC2)nc2cc(Cl)ccc12 ZINC000022932937 204794074 /nfs/dbraw/zinc/79/40/74/204794074.db2.gz QYSWTEWVZHQZRG-UHFFFAOYSA-N 1 2 386.858 3.033 10 0 GGAELO C[C@H]1Oc2c(cccc2C(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)[C@H]1C ZINC000024601779 204822970 /nfs/dbraw/zinc/82/29/70/204822970.db2.gz NTHNJDDVHDSQND-DLBZAZTESA-N 1 2 392.499 3.464 10 0 GGAELO COc1cccc(N2CC[NH+](CC(=O)N[C@H]3CCC[C@H](C(F)(F)F)C3)CC2)c1 ZINC000030964450 204901974 /nfs/dbraw/zinc/90/19/74/204901974.db2.gz WPSDFIXJPQXRAZ-HOTGVXAUSA-N 1 2 399.457 3.055 10 0 GGAELO CCOc1ccc(CNC(=O)[C@H]2CCCN(c3[nH]c4ccccc4[nH+]3)C2)cc1 ZINC000033071900 204943761 /nfs/dbraw/zinc/94/37/61/204943761.db2.gz SVUQBZJRXJXWGK-KRWDZBQOSA-N 1 2 378.476 3.494 10 0 GGAELO CC(C)C[C@H]1[NH2+]C2(CCN(C(=O)C3CCC3)CC2)N(Cc2ccccc2)C1=O ZINC000036028847 205002772 /nfs/dbraw/zinc/00/27/72/205002772.db2.gz GVVQYOQSIMHHDJ-HXUWFJFHSA-N 1 2 383.536 3.152 10 0 GGAELO CC(C)C[C@H]1[NH2+]C2(CCN(C(=O)c3ccc(Cl)cc3)CC2)N(C2CC2)C1=O ZINC000036032606 205003227 /nfs/dbraw/zinc/00/32/27/205003227.db2.gz MISKNJILIWRIPZ-GOSISDBHSA-N 1 2 389.927 3.281 10 0 GGAELO CC[C@@H](C)[N@H+](Cc1nc(C(=O)NC2CC2)co1)Cc1ccc(OC)cc1OC ZINC000036082585 205004020 /nfs/dbraw/zinc/00/40/20/205004020.db2.gz ZDDAMNYNTYLOAN-CQSZACIVSA-N 1 2 387.480 3.385 10 0 GGAELO CC[C@@H](C)[N@@H+](Cc1nc(C(=O)NC2CC2)co1)Cc1ccc(OC)cc1OC ZINC000036082585 205004025 /nfs/dbraw/zinc/00/40/25/205004025.db2.gz ZDDAMNYNTYLOAN-CQSZACIVSA-N 1 2 387.480 3.385 10 0 GGAELO CC[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000036158925 205006964 /nfs/dbraw/zinc/00/69/64/205006964.db2.gz UWFGSGIYNYRBIB-OAHLLOKOSA-N 1 2 383.517 3.246 10 0 GGAELO CC[C@@H](O)C[N@H+](Cc1ccccc1)Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000036158925 205006965 /nfs/dbraw/zinc/00/69/65/205006965.db2.gz UWFGSGIYNYRBIB-OAHLLOKOSA-N 1 2 383.517 3.246 10 0 GGAELO C[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000036156913 205007363 /nfs/dbraw/zinc/00/73/63/205007363.db2.gz ZYQLURBOEFIVMQ-CQSZACIVSA-N 1 2 383.517 3.246 10 0 GGAELO C[C@@H](O)C[N@H+](Cc1ccccc1)Cc1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000036156913 205007366 /nfs/dbraw/zinc/00/73/66/205007366.db2.gz ZYQLURBOEFIVMQ-CQSZACIVSA-N 1 2 383.517 3.246 10 0 GGAELO CC[C@H](C)NC(=O)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)c2ccccc2F)CC1 ZINC000036252057 205008901 /nfs/dbraw/zinc/00/89/01/205008901.db2.gz RLQGLDKXXCHZOE-OXJNMPFZSA-N 1 2 389.515 3.057 10 0 GGAELO Cc1ccccc1C(=O)N1CC[NH+]([C@H](C(=O)NCC(C)C)C2CCCC2)CC1 ZINC000036251496 205009322 /nfs/dbraw/zinc/00/93/22/205009322.db2.gz CCKUMQLMSBZNQK-NRFANRHFSA-N 1 2 385.552 3.084 10 0 GGAELO CCCNC(=O)[C@H](C1CCCC1)[NH+]1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000036253129 205009579 /nfs/dbraw/zinc/00/95/79/205009579.db2.gz ZBTPHIWPMFYOIQ-IBGZPJMESA-N 1 2 391.943 3.183 10 0 GGAELO CC[C@@H](C)NC(=O)[C@H](C1CCCC1)[NH+]1CCN(C(=O)c2ccccc2F)CC1 ZINC000036252060 205009646 /nfs/dbraw/zinc/00/96/46/205009646.db2.gz RLQGLDKXXCHZOE-UZLBHIALSA-N 1 2 389.515 3.057 10 0 GGAELO CCC(=O)N1CC[NH+]([C@@H](C(=O)N[C@@H]2CCCc3ccccc32)C2CCCC2)CC1 ZINC000036252411 205009819 /nfs/dbraw/zinc/00/98/19/205009819.db2.gz BPTDQIAPGYWPKB-FYYLOGMGSA-N 1 2 397.563 3.293 10 0 GGAELO 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Cc1ccc(C[N@H+]2CCCN(Cc3cnn(C)c3)CC2)cc1Br ZINC000121571490 564375804 /nfs/dbraw/zinc/37/58/04/564375804.db2.gz PMVDIQGQVZAVHQ-UHFFFAOYSA-N 1 2 377.330 3.199 10 0 GGAELO Cc1ccc(C[N@@H+]2CCCN(Cc3cnn(C)c3)CC2)cc1Br ZINC000121571490 564375808 /nfs/dbraw/zinc/37/58/08/564375808.db2.gz PMVDIQGQVZAVHQ-UHFFFAOYSA-N 1 2 377.330 3.199 10 0 GGAELO Cn1cc(Cl)cc1C(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000029928047 564376104 /nfs/dbraw/zinc/37/61/04/564376104.db2.gz AYCGHWCPGLNVDD-UHFFFAOYSA-N 1 2 382.291 3.169 10 0 GGAELO COC(=O)c1ccc([C@H](C)[NH+]2CCN(c3ccc(Br)cn3)CC2)o1 ZINC000030203686 564376534 /nfs/dbraw/zinc/37/65/34/564376534.db2.gz DMWDHMAJPQGXGA-LBPRGKRZSA-N 1 2 394.269 3.107 10 0 GGAELO O=C(C[NH+]1CCN(c2ccc(Br)cn2)CC1)c1c[nH]c2ccccc12 ZINC000030201620 564377239 /nfs/dbraw/zinc/37/72/39/564377239.db2.gz YPGIXPDCRDOUJT-UHFFFAOYSA-N 1 2 399.292 3.330 10 0 GGAELO Cc1cc(N2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)n2ncnc2n1 ZINC000030591156 564383314 /nfs/dbraw/zinc/38/33/14/564383314.db2.gz RWLKHUNUTRDLFP-UHFFFAOYSA-N 1 2 377.279 3.062 10 0 GGAELO C[N@@H+]1CC[C@@H](NS(=O)(=O)Cc2ccc(F)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000121751797 564384391 /nfs/dbraw/zinc/38/43/91/564384391.db2.gz VDMUETIEKNDERG-MSOLQXFVSA-N 1 2 382.888 3.344 10 0 GGAELO C[N@H+]1CC[C@@H](NS(=O)(=O)Cc2ccc(F)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000121751797 564384395 /nfs/dbraw/zinc/38/43/95/564384395.db2.gz VDMUETIEKNDERG-MSOLQXFVSA-N 1 2 382.888 3.344 10 0 GGAELO C[N@@H+]1CC[C@@H](NS(=O)(=O)Cc2cccc(F)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000121744135 564384811 /nfs/dbraw/zinc/38/48/11/564384811.db2.gz UTIKHWRYGSXGKQ-MSOLQXFVSA-N 1 2 382.888 3.344 10 0 GGAELO C[N@H+]1CC[C@@H](NS(=O)(=O)Cc2cccc(F)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000121744135 564384816 /nfs/dbraw/zinc/38/48/16/564384816.db2.gz UTIKHWRYGSXGKQ-MSOLQXFVSA-N 1 2 382.888 3.344 10 0 GGAELO COc1ccsc1S(=O)(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000121756868 564385417 /nfs/dbraw/zinc/38/54/17/564385417.db2.gz ADMMUDGRYLBUPV-ZFWWWQNUSA-N 1 2 386.926 3.134 10 0 GGAELO COc1ccsc1S(=O)(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000121756868 564385421 /nfs/dbraw/zinc/38/54/21/564385421.db2.gz ADMMUDGRYLBUPV-ZFWWWQNUSA-N 1 2 386.926 3.134 10 0 GGAELO COc1ccsc1S(=O)(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000121757008 564385516 /nfs/dbraw/zinc/38/55/16/564385516.db2.gz ADMMUDGRYLBUPV-HIFRSBDPSA-N 1 2 386.926 3.134 10 0 GGAELO COc1ccsc1S(=O)(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000121757008 564385517 /nfs/dbraw/zinc/38/55/17/564385517.db2.gz ADMMUDGRYLBUPV-HIFRSBDPSA-N 1 2 386.926 3.134 10 0 GGAELO O=C(NCc1cn2cc(Cl)ccc2[nH+]1)N1CCN(c2cccs2)CC1 ZINC000121761177 564385854 /nfs/dbraw/zinc/38/58/54/564385854.db2.gz YHAQFALHBAJLCH-UHFFFAOYSA-N 1 2 375.885 3.081 10 0 GGAELO O=C(/C=C/c1ccccc1Br)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000031556326 564390099 /nfs/dbraw/zinc/39/00/99/564390099.db2.gz JVNKYDIYCZRPNG-SOFGYWHQSA-N 1 2 383.249 3.359 10 0 GGAELO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)c1cc2cc(Cl)ccc2o1 ZINC000031939213 564394826 /nfs/dbraw/zinc/39/48/26/564394826.db2.gz KSFPXRXZTADGCL-SFHVURJKSA-N 1 2 380.897 3.024 10 0 GGAELO Cc1c(Cl)cccc1S(=O)(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000032418003 564399354 /nfs/dbraw/zinc/39/93/54/564399354.db2.gz LUNBCFGZTDYNFY-UHFFFAOYSA-N 1 2 375.881 3.372 10 0 GGAELO CN(C)c1[nH+]cccc1CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000032437957 564400730 /nfs/dbraw/zinc/40/07/30/564400730.db2.gz VZIFPXBJLPGHFU-UHFFFAOYSA-N 1 2 393.818 3.298 10 0 GGAELO Clc1cc(Cl)c2c(c1)C=C(C[N@@H+]1CCO[C@H](Cn3cccn3)C1)CO2 ZINC000122180200 564402900 /nfs/dbraw/zinc/40/29/00/564402900.db2.gz YSPCHAQBUHIZLY-INIZCTEOSA-N 1 2 380.275 3.367 10 0 GGAELO Clc1cc(Cl)c2c(c1)C=C(C[N@H+]1CCO[C@H](Cn3cccn3)C1)CO2 ZINC000122180200 564402904 /nfs/dbraw/zinc/40/29/04/564402904.db2.gz YSPCHAQBUHIZLY-INIZCTEOSA-N 1 2 380.275 3.367 10 0 GGAELO Cn1cc[nH+]c1[C@H](NC(=O)c1coc(Br)c1)c1ccc(F)cc1 ZINC000032613461 564403038 /nfs/dbraw/zinc/40/30/38/564403038.db2.gz CQBJOJPDUMTMMG-CQSZACIVSA-N 1 2 378.201 3.434 10 0 GGAELO Cn1cc[nH+]c1[C@@H](NC(=O)c1coc(Br)c1)c1cccc(F)c1 ZINC000032613518 564403730 /nfs/dbraw/zinc/40/37/30/564403730.db2.gz OHFZGOBLSJJZDL-AWEZNQCLSA-N 1 2 378.201 3.434 10 0 GGAELO Cc1cc(C)n(C[C@H]2C[N@H+](Cc3ccc(Br)c(C)c3)CCO2)n1 ZINC000122551827 564419309 /nfs/dbraw/zinc/41/93/09/564419309.db2.gz ZOCWPIHUDKQPTM-QGZVFWFLSA-N 1 2 378.314 3.472 10 0 GGAELO Cc1cc(C)n(C[C@H]2C[N@@H+](Cc3ccc(Br)c(C)c3)CCO2)n1 ZINC000122551827 564419311 /nfs/dbraw/zinc/41/93/11/564419311.db2.gz ZOCWPIHUDKQPTM-QGZVFWFLSA-N 1 2 378.314 3.472 10 0 GGAELO C[C@@H](CC(=O)N1CCC[C@H]1C[NH+]1CCOCC1)c1ccc(Br)cc1 ZINC000122570204 564419368 /nfs/dbraw/zinc/41/93/68/564419368.db2.gz QJILNNAJAGCTBB-YJBOKZPZSA-N 1 2 395.341 3.266 10 0 GGAELO Cc1cc(C)n(C[C@@H]2C[N@H+](Cc3ccc(C)c(Br)c3)CCO2)n1 ZINC000122593643 564420306 /nfs/dbraw/zinc/42/03/06/564420306.db2.gz SVADDJJHBBHXJZ-KRWDZBQOSA-N 1 2 378.314 3.472 10 0 GGAELO Cc1cc(C)n(C[C@@H]2C[N@@H+](Cc3ccc(C)c(Br)c3)CCO2)n1 ZINC000122593643 564420308 /nfs/dbraw/zinc/42/03/08/564420308.db2.gz SVADDJJHBBHXJZ-KRWDZBQOSA-N 1 2 378.314 3.472 10 0 GGAELO Cc1ccc(Cl)cc1NC(=O)C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000041311388 564432096 /nfs/dbraw/zinc/43/20/96/564432096.db2.gz VHMXZDZYTKROCW-UHFFFAOYSA-N 1 2 377.231 3.204 10 0 GGAELO O=C(NCc1cn2cc(Cl)ccc2[nH+]1)C(=O)Nc1ccc(F)cc1Cl ZINC000041311264 564432164 /nfs/dbraw/zinc/43/21/64/564432164.db2.gz JZEDICKJLMVCDP-UHFFFAOYSA-N 1 2 381.194 3.035 10 0 GGAELO C[C@@H]1CCN(C(=O)c2ccc(I)cc2)C[C@H]1n1cc[nH+]c1 ZINC000122942536 564432338 /nfs/dbraw/zinc/43/23/38/564432338.db2.gz GOTPXUMEDBLPSW-IUODEOHRSA-N 1 2 395.244 3.211 10 0 GGAELO C[C@H]1CCN(C(=O)c2ccc(I)cc2)C[C@H]1n1cc[nH+]c1 ZINC000122942764 564432641 /nfs/dbraw/zinc/43/26/41/564432641.db2.gz GOTPXUMEDBLPSW-SWLSCSKDSA-N 1 2 395.244 3.211 10 0 GGAELO C[C@H]([NH2+]Cc1cc2c(c(Br)c1)OCO2)c1nnc2n1CCCCC2 ZINC000042800908 564451004 /nfs/dbraw/zinc/45/10/04/564451004.db2.gz OXJHLEWGWFRODK-NSHDSACASA-N 1 2 393.285 3.347 10 0 GGAELO O=C(C[N@@H+](Cc1cccs1)C[C@H]1CCCO1)Nc1nc2c(s1)CCC2 ZINC000123729888 564459216 /nfs/dbraw/zinc/45/92/16/564459216.db2.gz ZOEQWNBEFAAAJP-CYBMUJFWSA-N 1 2 377.535 3.313 10 0 GGAELO O=C(C[N@H+](Cc1cccs1)C[C@H]1CCCO1)Nc1nc2c(s1)CCC2 ZINC000123729888 564459220 /nfs/dbraw/zinc/45/92/20/564459220.db2.gz ZOEQWNBEFAAAJP-CYBMUJFWSA-N 1 2 377.535 3.313 10 0 GGAELO O=S(=O)(NCc1cn2cc(Cl)ccc2[nH+]1)c1ccc(C(F)(F)F)cc1 ZINC000044790426 564473268 /nfs/dbraw/zinc/47/32/68/564473268.db2.gz LJTQXNCFFWLAAE-UHFFFAOYSA-N 1 2 389.786 3.485 10 0 GGAELO O=C(NCc1cccnc1-n1cc[nH+]c1)c1cc(F)ccc1Br ZINC000044895464 564475174 /nfs/dbraw/zinc/47/51/74/564475174.db2.gz APZJUEPOUFMZMY-UHFFFAOYSA-N 1 2 375.201 3.099 10 0 GGAELO O=C(CC[C@H]1CCOC1)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000124456511 564482494 /nfs/dbraw/zinc/48/24/94/564482494.db2.gz ZULVALHWOCMNKK-INIZCTEOSA-N 1 2 385.335 3.497 10 0 GGAELO Cc1cc(C(=O)N2CC[NH+](CCc3ccc(Cl)c(Cl)c3)CC2)ncn1 ZINC000124444782 564482531 /nfs/dbraw/zinc/48/25/31/564482531.db2.gz BOVOVDUFFUDABW-UHFFFAOYSA-N 1 2 379.291 3.092 10 0 GGAELO O=C(CC[C@@H]1CCOC1)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000124456293 564482927 /nfs/dbraw/zinc/48/29/27/564482927.db2.gz ZULVALHWOCMNKK-MRXNPFEDSA-N 1 2 385.335 3.497 10 0 GGAELO O[C@H](COc1ccc(-c2ccc(Br)cc2)cc1)C[NH+]1CCOCC1 ZINC000045822034 564490388 /nfs/dbraw/zinc/49/03/88/564490388.db2.gz ULXWZUAGKRBXFO-SFHVURJKSA-N 1 2 392.293 3.188 10 0 GGAELO Cc1ccc2[nH+]c(CN3CCN(c4ccc(Br)cn4)CC3)cn2c1 ZINC000045943544 564491899 /nfs/dbraw/zinc/49/18/99/564491899.db2.gz RZRUGFGDHYJVTF-UHFFFAOYSA-N 1 2 386.297 3.122 10 0 GGAELO Cc1ccc2nc(C[NH+]3CCN(c4ccc(Br)cn4)CC3)cn2c1 ZINC000045943544 564491901 /nfs/dbraw/zinc/49/19/01/564491901.db2.gz RZRUGFGDHYJVTF-UHFFFAOYSA-N 1 2 386.297 3.122 10 0 GGAELO CN(C)c1[nH+]cccc1CNC(=O)N(C)Cc1ccc(Br)cc1 ZINC000046289425 564500456 /nfs/dbraw/zinc/50/04/56/564500456.db2.gz LXJPKVVOALLSCL-UHFFFAOYSA-N 1 2 377.286 3.252 10 0 GGAELO O=C(NC1CCN(c2cccc[nH+]2)CC1)c1cc(F)cc(Br)c1 ZINC000046620058 564504729 /nfs/dbraw/zinc/50/47/29/564504729.db2.gz QJEVQOCQWHPZIP-UHFFFAOYSA-N 1 2 378.245 3.382 10 0 GGAELO O=C(NCc1cc(Br)cs1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000046943302 564509723 /nfs/dbraw/zinc/50/97/23/564509723.db2.gz PWPHCHVYEBRISS-UHFFFAOYSA-N 1 2 395.326 3.374 10 0 GGAELO Cc1noc(CN2CC[NH+](C[C@H](C)c3cccc(Br)c3)CC2)n1 ZINC000125371038 564511860 /nfs/dbraw/zinc/51/18/60/564511860.db2.gz PIXNIWGYBOKFQV-ZDUSSCGKSA-N 1 2 379.302 3.062 10 0 GGAELO CC(C)OC(=O)[C@@H]1CCC[N@@H+]1C[C@H](O)COc1c(Cl)cccc1Cl ZINC000125383329 564513100 /nfs/dbraw/zinc/51/31/00/564513100.db2.gz WBFBKWTZLNKNAS-WFASDCNBSA-N 1 2 376.280 3.149 10 0 GGAELO CC(C)OC(=O)[C@@H]1CCC[N@H+]1C[C@H](O)COc1c(Cl)cccc1Cl ZINC000125383329 564513102 /nfs/dbraw/zinc/51/31/02/564513102.db2.gz WBFBKWTZLNKNAS-WFASDCNBSA-N 1 2 376.280 3.149 10 0 GGAELO O=C(Nc1nccs1)[C@@H]1CCC[N@H+](Cc2nc(-c3cccs3)no2)C1 ZINC000047263690 564516179 /nfs/dbraw/zinc/51/61/79/564516179.db2.gz PBCFSPJJRPKJPH-LLVKDONJSA-N 1 2 375.479 3.105 10 0 GGAELO O=C(Nc1nccs1)[C@@H]1CCC[N@@H+](Cc2nc(-c3cccs3)no2)C1 ZINC000047263690 564516186 /nfs/dbraw/zinc/51/61/86/564516186.db2.gz PBCFSPJJRPKJPH-LLVKDONJSA-N 1 2 375.479 3.105 10 0 GGAELO Cc1cccc(NC(=O)C[N@@H+](C)[C@H](CO)c2cccc(Br)c2)c1 ZINC000125582969 564519380 /nfs/dbraw/zinc/51/93/80/564519380.db2.gz BDTYHRSDHQWVNZ-QGZVFWFLSA-N 1 2 377.282 3.361 10 0 GGAELO Cc1cccc(NC(=O)C[N@H+](C)[C@H](CO)c2cccc(Br)c2)c1 ZINC000125582969 564519382 /nfs/dbraw/zinc/51/93/82/564519382.db2.gz BDTYHRSDHQWVNZ-QGZVFWFLSA-N 1 2 377.282 3.361 10 0 GGAELO C[C@@H]1CCN(C(=O)Cc2ccc(F)c(Br)c2)C[C@H]1n1cc[nH+]c1 ZINC000125621528 564520836 /nfs/dbraw/zinc/52/08/36/564520836.db2.gz BUQVMXDQDXRRCB-MLGOLLRUSA-N 1 2 380.261 3.437 10 0 GGAELO C[C@@H]1CCN(C(=O)Cc2ccc(F)c(Br)c2)C[C@@H]1n1cc[nH+]c1 ZINC000125621081 564520913 /nfs/dbraw/zinc/52/09/13/564520913.db2.gz BUQVMXDQDXRRCB-WBMJQRKESA-N 1 2 380.261 3.437 10 0 GGAELO C[NH+](C)CCCOC1CCN(C(=O)c2ccc(Cl)c(Cl)c2O)CC1 ZINC000126001859 564534093 /nfs/dbraw/zinc/53/40/93/564534093.db2.gz VGSVHJDMKRWEEI-UHFFFAOYSA-N 1 2 375.296 3.272 10 0 GGAELO C[C@H]1CCN(C(=O)c2cccc(I)c2)C[C@H]1n1cc[nH+]c1 ZINC000126137535 564537774 /nfs/dbraw/zinc/53/77/74/564537774.db2.gz CAXUTHGSRSGIQH-SWLSCSKDSA-N 1 2 395.244 3.211 10 0 GGAELO C[C@@H]1CCN(C(=O)c2cccc(I)c2)C[C@@H]1n1cc[nH+]c1 ZINC000126136994 564537988 /nfs/dbraw/zinc/53/79/88/564537988.db2.gz CAXUTHGSRSGIQH-DOMZBBRYSA-N 1 2 395.244 3.211 10 0 GGAELO O=C(Nc1cncc(Br)c1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000126524450 564552329 /nfs/dbraw/zinc/55/23/29/564552329.db2.gz PPFUQPJGQJCAPY-UHFFFAOYSA-N 1 2 376.258 3.030 10 0 GGAELO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)Nc1cncc(Br)c1 ZINC000126526841 564552498 /nfs/dbraw/zinc/55/24/98/564552498.db2.gz SATIPEHKZUPOPI-UHFFFAOYSA-N 1 2 386.253 3.411 10 0 GGAELO O=S(=O)(c1ccccc1Cl)N1CC[NH+]([C@H]2CCc3ccccc32)CC1 ZINC000049720074 564553159 /nfs/dbraw/zinc/55/31/59/564553159.db2.gz RFHSCQSGDFXBCX-SFHVURJKSA-N 1 2 376.909 3.334 10 0 GGAELO Cc1ccc(Cl)c(S(=O)(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000126548101 564553397 /nfs/dbraw/zinc/55/33/97/564553397.db2.gz PAYBSBXWRNNADJ-UHFFFAOYSA-N 1 2 375.881 3.372 10 0 GGAELO Fc1ccc(C[NH+]2CCN(c3ncc(Br)cn3)CC2)c(Cl)c1 ZINC000051793950 564567134 /nfs/dbraw/zinc/56/71/34/564567134.db2.gz JULRUYWWONVICP-UHFFFAOYSA-N 1 2 385.668 3.354 10 0 GGAELO CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000051994145 564568063 /nfs/dbraw/zinc/56/80/63/564568063.db2.gz ASLFPSLZDHRZKP-DLBZAZTESA-N 1 2 381.314 3.051 10 0 GGAELO CN(Cc1ccccc1Br)C(=O)C[N@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000051994145 564568065 /nfs/dbraw/zinc/56/80/65/564568065.db2.gz ASLFPSLZDHRZKP-DLBZAZTESA-N 1 2 381.314 3.051 10 0 GGAELO C[N@@H+]1CC[C@H](NC(=O)c2cncc(Br)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000127137831 564574277 /nfs/dbraw/zinc/57/42/77/564574277.db2.gz WRNOKGOBRYVGHB-HOTGVXAUSA-N 1 2 396.235 3.298 10 0 GGAELO C[N@H+]1CC[C@H](NC(=O)c2cncc(Br)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000127137831 564574279 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3.041 10 0 GGAELO O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)c1ccc(C2SCCCS2)cc1 ZINC000127619311 564589972 /nfs/dbraw/zinc/58/99/72/564589972.db2.gz XPGVAGRVFRYBMQ-KRWDZBQOSA-N 1 2 378.563 3.148 10 0 GGAELO O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)c1ccc(C2SCCCS2)cc1 ZINC000127619311 564589974 /nfs/dbraw/zinc/58/99/74/564589974.db2.gz XPGVAGRVFRYBMQ-KRWDZBQOSA-N 1 2 378.563 3.148 10 0 GGAELO COC(=O)CCCCNC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000127658575 564591769 /nfs/dbraw/zinc/59/17/69/564591769.db2.gz WTHMKZFSKICYEE-QGZVFWFLSA-N 1 2 397.313 3.046 10 0 GGAELO O=C(CS(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000053638951 564592070 /nfs/dbraw/zinc/59/20/70/564592070.db2.gz QRUBBGJDYSQJTK-UHFFFAOYSA-N 1 2 375.837 3.143 10 0 GGAELO C[C@H](c1ccccc1Cl)[NH+]1CCN(c2ncc(C(N)=O)cc2Cl)CC1 ZINC000054057375 564598081 /nfs/dbraw/zinc/59/80/81/564598081.db2.gz IFGXAJRIAUTNPZ-GFCCVEGCSA-N 1 2 379.291 3.371 10 0 GGAELO CCCOc1ccc(Br)cc1C[NH+]1CCN(c2cccnn2)CC1 ZINC000127935777 564601821 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Brc1ccc(C[N@@H+]2CCCN(Cc3noc(C4CC4)n3)CC2)s1 ZINC000106149968 564979602 /nfs/dbraw/zinc/97/96/02/564979602.db2.gz LMRMUTJHPCEQGM-UHFFFAOYSA-N 1 2 397.342 3.479 10 0 GGAELO Brc1ccc(C[N@H+]2CCCN(Cc3noc(C4CC4)n3)CC2)s1 ZINC000106149968 564979605 /nfs/dbraw/zinc/97/96/05/564979605.db2.gz LMRMUTJHPCEQGM-UHFFFAOYSA-N 1 2 397.342 3.479 10 0 GGAELO Cc1noc([C@@H](C)N2CC[NH+](CCOc3cc(Cl)ccc3Cl)CC2)n1 ZINC000106134471 564979723 /nfs/dbraw/zinc/97/97/23/564979723.db2.gz QOEHTYKEKSTOCE-GFCCVEGCSA-N 1 2 385.295 3.442 10 0 GGAELO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1cc2c(cccc2Br)[nH]1 ZINC000153006089 564981511 /nfs/dbraw/zinc/98/15/11/564981511.db2.gz MTIHHISIVJOPPY-GFCCVEGCSA-N 1 2 385.265 3.334 10 0 GGAELO CC(C)c1[nH+]c2c(n1C)CCN(C[C@@H](O)c1cccc(Br)c1)C2 ZINC000106370524 564982890 /nfs/dbraw/zinc/98/28/90/564982890.db2.gz GHZPNAMBDALSND-QGZVFWFLSA-N 1 2 378.314 3.398 10 0 GGAELO CCN(CC)C(=O)[C@@H](C)[NH+]1CCN(CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000153222140 564988622 /nfs/dbraw/zinc/98/86/22/564988622.db2.gz NYYIQSXWXUQZNG-OAHLLOKOSA-N 1 2 386.367 3.410 10 0 GGAELO CCN(CC)C(=O)[C@@H](C)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000153222140 564988627 /nfs/dbraw/zinc/98/86/27/564988627.db2.gz NYYIQSXWXUQZNG-OAHLLOKOSA-N 1 2 386.367 3.410 10 0 GGAELO Cn1cccc1C(=O)CN1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000153298370 564990798 /nfs/dbraw/zinc/99/07/98/564990798.db2.gz LFHVGNFXSYERDY-UHFFFAOYSA-N 1 2 380.319 3.375 10 0 GGAELO CC(C)n1cc[nH+]c1CS(=O)(=O)CC(=O)Nc1c(Cl)cccc1Cl ZINC000107075334 564993852 /nfs/dbraw/zinc/99/38/52/564993852.db2.gz SZEGEAVEEIWQHB-UHFFFAOYSA-N 1 2 390.292 3.324 10 0 GGAELO Cc1c(Cl)cccc1NC(=O)[C@@H](C)S(=O)(=O)Cc1[nH+]ccn1C(C)C ZINC000107075657 564994105 /nfs/dbraw/zinc/99/41/05/564994105.db2.gz BLVJIGITWIYNCR-CYBMUJFWSA-N 1 2 383.901 3.368 10 0 GGAELO Cc1cc(C)c(NC(=O)CS(=O)(=O)Cc2[nH+]ccn2C(C)C)c(Cl)c1 ZINC000107075315 564994154 /nfs/dbraw/zinc/99/41/54/564994154.db2.gz NTMGRWHHPSSGNY-UHFFFAOYSA-N 1 2 383.901 3.288 10 0 GGAELO O=S(=O)(Nc1ccc(C[NH+]2CCOCC2)cc1)c1c(F)cccc1Cl ZINC000153550658 565000284 /nfs/dbraw/zinc/00/02/84/565000284.db2.gz JRVYLSCEKXNCIC-UHFFFAOYSA-N 1 2 384.860 3.112 10 0 GGAELO C[N@H+](CC(=O)NC(C)(C)C)Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000153725611 565008304 /nfs/dbraw/zinc/00/83/04/565008304.db2.gz WHVWMPBNCJDKNC-UHFFFAOYSA-N 1 2 391.313 3.253 10 0 GGAELO C[N@@H+](CC(=O)NC(C)(C)C)Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000153725611 565008306 /nfs/dbraw/zinc/00/83/06/565008306.db2.gz WHVWMPBNCJDKNC-UHFFFAOYSA-N 1 2 391.313 3.253 10 0 GGAELO Cc1ccc(NCCCNC(=O)c2cc(Br)cc3nc[nH]c32)[nH+]c1 ZINC000502985610 565010206 /nfs/dbraw/zinc/01/02/06/565010206.db2.gz VAAGLVNPGIEOSY-UHFFFAOYSA-N 1 2 388.269 3.261 10 0 GGAELO Cc1ncc(C[NH+]2CCN(C(=O)c3cc(C)ccc3Br)CC2)s1 ZINC000153911798 565016799 /nfs/dbraw/zinc/01/67/99/565016799.db2.gz BKWVIWADXUXITF-UHFFFAOYSA-N 1 2 394.338 3.480 10 0 GGAELO Cc1c(Cl)cccc1S(=O)(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000153931746 565018008 /nfs/dbraw/zinc/01/80/08/565018008.db2.gz DJOVUBROZYDSHU-UHFFFAOYSA-N 1 2 380.897 3.281 10 0 GGAELO Brc1ccc(N2CC[NH+](Cc3noc4c3CCCC4)CC2)nc1 ZINC000108853899 565018308 /nfs/dbraw/zinc/01/83/08/565018308.db2.gz GMDWHIOKIWYOJR-UHFFFAOYSA-N 1 2 377.286 3.033 10 0 GGAELO Cc1ccc(S(=O)(=O)Nc2cccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)c2)s1 ZINC000154010400 565022096 /nfs/dbraw/zinc/02/20/96/565022096.db2.gz YNCZHNIYTUMPGR-OKILXGFUSA-N 1 2 380.535 3.467 10 0 GGAELO Cc1ccc(S(=O)(=O)Nc2cccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)c2)s1 ZINC000154010400 565022097 /nfs/dbraw/zinc/02/20/97/565022097.db2.gz YNCZHNIYTUMPGR-OKILXGFUSA-N 1 2 380.535 3.467 10 0 GGAELO Cc1ccc(S(=O)(=O)Nc2cccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)c2)s1 ZINC000154010484 565022103 /nfs/dbraw/zinc/02/21/03/565022103.db2.gz YNCZHNIYTUMPGR-ZIAGYGMSSA-N 1 2 380.535 3.467 10 0 GGAELO Cc1nc(C[N@H+]2CCCN(C(=O)c3cc(Cl)c(Cl)n3C)CC2)cs1 ZINC000109650890 565029450 /nfs/dbraw/zinc/02/94/50/565029450.db2.gz UABKTUILCGYWRI-UHFFFAOYSA-N 1 2 387.336 3.445 10 0 GGAELO Cc1nc(C[N@@H+]2CCCN(C(=O)c3cc(Cl)c(Cl)n3C)CC2)cs1 ZINC000109650890 565029453 /nfs/dbraw/zinc/02/94/53/565029453.db2.gz UABKTUILCGYWRI-UHFFFAOYSA-N 1 2 387.336 3.445 10 0 GGAELO Cc1cc(NC(=O)[C@@H](C)CS(=O)(=O)c2ccc(Br)cc2)cc[nH+]1 ZINC000154367678 565036025 /nfs/dbraw/zinc/03/60/25/565036025.db2.gz RGJTXVOOEQAOGT-NSHDSACASA-N 1 2 397.294 3.201 10 0 GGAELO OC[C@H]1CCCN1c1cc(N[C@@H]2CCc3cc(Br)ccc32)[nH+]cn1 ZINC000110270261 565038637 /nfs/dbraw/zinc/03/86/37/565038637.db2.gz SZLMIJHPJCUGQE-GDBMZVCRSA-N 1 2 389.297 3.300 10 0 GGAELO OC[C@H]1CCCN1c1cc(N[C@@H]2CCc3cc(Br)ccc32)nc[nH+]1 ZINC000110270261 565038639 /nfs/dbraw/zinc/03/86/39/565038639.db2.gz SZLMIJHPJCUGQE-GDBMZVCRSA-N 1 2 389.297 3.300 10 0 GGAELO CCc1nc(C2([NH2+]C[C@H](O)c3ccccc3Br)CCCC2)no1 ZINC000154660502 565048062 /nfs/dbraw/zinc/04/80/62/565048062.db2.gz QAHACZHJXFLGRL-AWEZNQCLSA-N 1 2 380.286 3.487 10 0 GGAELO O=C(c1csc(-c2ccsc2)n1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000110956449 565048183 /nfs/dbraw/zinc/04/81/83/565048183.db2.gz VHKUTTNHPBKBSX-HNNXBMFYSA-N 1 2 377.535 3.199 10 0 GGAELO O=C(COc1ccc(Cl)c(Cl)c1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000110955076 565048384 /nfs/dbraw/zinc/04/83/84/565048384.db2.gz NAHIMFCMENLUAN-AWEZNQCLSA-N 1 2 387.307 3.086 10 0 GGAELO O=C(NCc1cscn1)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000111482863 565054990 /nfs/dbraw/zinc/05/49/90/565054990.db2.gz TVFWVULXBLQVLQ-CQSZACIVSA-N 1 2 382.892 3.399 10 0 GGAELO O=C(NCc1cscn1)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000111482863 565054991 /nfs/dbraw/zinc/05/49/91/565054991.db2.gz TVFWVULXBLQVLQ-CQSZACIVSA-N 1 2 382.892 3.399 10 0 GGAELO COc1cc(Br)ccc1C[NH2+][C@H](CS(C)(=O)=O)c1ccccc1 ZINC000154960326 565058063 /nfs/dbraw/zinc/05/80/63/565058063.db2.gz WOQWGVIRSSFFOQ-MRXNPFEDSA-N 1 2 398.322 3.333 10 0 GGAELO CC[N@H+](Cc1cc(Br)ccc1F)[C@H](C)C(=O)Nc1ncccn1 ZINC000155157934 565063465 /nfs/dbraw/zinc/06/34/65/565063465.db2.gz HHURAYGWPSEOSL-LLVKDONJSA-N 1 2 381.249 3.227 10 0 GGAELO CC[N@@H+](Cc1cc(Br)ccc1F)[C@H](C)C(=O)Nc1ncccn1 ZINC000155157934 565063468 /nfs/dbraw/zinc/06/34/68/565063468.db2.gz HHURAYGWPSEOSL-LLVKDONJSA-N 1 2 381.249 3.227 10 0 GGAELO O=C(NCc1cn2cc(Cl)ccc2[nH+]1)C(=O)Nc1cc(F)cc(Cl)c1 ZINC000155182794 565063919 /nfs/dbraw/zinc/06/39/19/565063919.db2.gz WKVSZHYOWRUCPL-UHFFFAOYSA-N 1 2 381.194 3.035 10 0 GGAELO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(Cc2cccc(Br)c2)CC1 ZINC000112541415 565064340 /nfs/dbraw/zinc/06/43/40/565064340.db2.gz RJNTVSYIUOBEBL-OAHLLOKOSA-N 1 2 394.357 3.014 10 0 GGAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)Cc1cccc(Br)c1)C2 ZINC000112668391 565065379 /nfs/dbraw/zinc/06/53/79/565065379.db2.gz GNOJWCXETDMVCN-UHFFFAOYSA-N 1 2 376.298 3.433 10 0 GGAELO C[C@H]([C@H](C)NC(=O)N[C@@H]1CCc2c1ccc(Cl)c2Cl)[NH+]1CCOCC1 ZINC000113617443 565070459 /nfs/dbraw/zinc/07/04/59/565070459.db2.gz PVXQGBPFWJHBGD-HWWQOWPSSA-N 1 2 386.323 3.389 10 0 GGAELO CCc1ccc(C[NH+]2CCN(C(=O)c3ccncc3Br)CC2)s1 ZINC000155746612 565071253 /nfs/dbraw/zinc/07/12/53/565071253.db2.gz PEPQSDJVYHGIAQ-UHFFFAOYSA-N 1 2 394.338 3.426 10 0 GGAELO Cn1cc[nH+]c1CN1CCN(Cc2ccc(Cl)cc2Br)CC1 ZINC000113932730 565071611 /nfs/dbraw/zinc/07/16/11/565071611.db2.gz GZEIOOTZYAGSRD-UHFFFAOYSA-N 1 2 383.721 3.154 10 0 GGAELO O=C(CC[N@@H+]1CCC[C@H]1C(=O)Nc1nccs1)Nc1ccccc1Cl ZINC000114195523 565072746 /nfs/dbraw/zinc/07/27/46/565072746.db2.gz ZOHGDSXLALHHDR-AWEZNQCLSA-N 1 2 378.885 3.228 10 0 GGAELO O=C(CC[N@H+]1CCC[C@H]1C(=O)Nc1nccs1)Nc1ccccc1Cl ZINC000114195523 565072748 /nfs/dbraw/zinc/07/27/48/565072748.db2.gz ZOHGDSXLALHHDR-AWEZNQCLSA-N 1 2 378.885 3.228 10 0 GGAELO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)C(=O)c1ccc(Br)cc1 ZINC000114263742 565073375 /nfs/dbraw/zinc/07/33/75/565073375.db2.gz LTCAXXGPMDGTAG-UHFFFAOYSA-N 1 2 398.260 3.193 10 0 GGAELO Cc1noc(C)c1C[NH+]1CCN(C(=O)Cc2ccc(Br)s2)CC1 ZINC000114318130 565073855 /nfs/dbraw/zinc/07/38/55/565073855.db2.gz SCLWZHHMQMHQGV-UHFFFAOYSA-N 1 2 398.326 3.002 10 0 GGAELO O=C(NCc1cn2cc(Cl)ccc2[nH+]1)N1CCO[C@@H](c2cccs2)C1 ZINC000156045677 565074353 /nfs/dbraw/zinc/07/43/53/565074353.db2.gz YOXMRRWOGQUJSF-CQSZACIVSA-N 1 2 376.869 3.332 10 0 GGAELO C[C@@H]1CCN(C(=O)c2cc(Br)cc3nc[nH]c32)C[C@@H]1n1cc[nH+]c1 ZINC000369206316 565081185 /nfs/dbraw/zinc/08/11/85/565081185.db2.gz MKHYTKBFBDSMHO-ABAIWWIYSA-N 1 2 388.269 3.245 10 0 GGAELO CC(C)[N@H+](Cc1noc(Cc2ccc(Br)cc2)n1)[C@H]1CCOC1 ZINC000291950570 565088860 /nfs/dbraw/zinc/08/88/60/565088860.db2.gz UNKCBGCTOAJCTI-HNNXBMFYSA-N 1 2 380.286 3.422 10 0 GGAELO CC(C)[N@@H+](Cc1noc(Cc2ccc(Br)cc2)n1)[C@H]1CCOC1 ZINC000291950570 565088863 /nfs/dbraw/zinc/08/88/63/565088863.db2.gz UNKCBGCTOAJCTI-HNNXBMFYSA-N 1 2 380.286 3.422 10 0 GGAELO Cc1ccc(Br)cc1NC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000156492551 565091280 /nfs/dbraw/zinc/09/12/80/565091280.db2.gz BQJLMPWHYSAQMV-MRXNPFEDSA-N 1 2 396.329 3.476 10 0 GGAELO Cn1c(C[NH+]2CCC(Oc3cccc(Br)c3)CC2)nnc1C1CC1 ZINC000183821257 565096619 /nfs/dbraw/zinc/09/66/19/565096619.db2.gz APAOVJDPNFILRC-UHFFFAOYSA-N 1 2 391.313 3.498 10 0 GGAELO Cc1csc(C2([NH2+][C@@H](C)c3cccc(S(=O)(=O)N(C)C)c3)CCC2)n1 ZINC000266926925 565097074 /nfs/dbraw/zinc/09/70/74/565097074.db2.gz ZQNDQQNDVBMHSJ-AWEZNQCLSA-N 1 2 379.551 3.432 10 0 GGAELO C[C@@H]1C[NH+]=C(N2CCN(c3ncnc4ccc(Br)cc43)CC2)S1 ZINC000156668651 565100715 /nfs/dbraw/zinc/10/07/15/565100715.db2.gz NEBPVWATUOMCBO-LLVKDONJSA-N 1 2 392.326 3.006 10 0 GGAELO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCc1ccc(O)c(Br)c1)C2 ZINC000369577197 565100877 /nfs/dbraw/zinc/10/08/77/565100877.db2.gz FXSYQSCOMGLQIC-LBPRGKRZSA-N 1 2 392.297 3.423 10 0 GGAELO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCc1ccc(O)c(Br)c1)CC2 ZINC000369577197 565100880 /nfs/dbraw/zinc/10/08/80/565100880.db2.gz FXSYQSCOMGLQIC-LBPRGKRZSA-N 1 2 392.297 3.423 10 0 GGAELO O=S1(=O)CC[C@H]([NH2+]Cc2nc(-c3cc(Cl)ccc3Cl)cs2)C1 ZINC000156728032 565103506 /nfs/dbraw/zinc/10/35/06/565103506.db2.gz RGCJLCVFOMPITG-JTQLQIEISA-N 1 2 377.318 3.394 10 0 GGAELO Cc1nnc([C@H]2CN(c3cc[nH+]c4c(Br)cccc34)CCO2)o1 ZINC000369683372 565106314 /nfs/dbraw/zinc/10/63/14/565106314.db2.gz XBHMVXUOLJBMSE-CQSZACIVSA-N 1 2 375.226 3.267 10 0 GGAELO CO[C@H](C)c1noc(C[N@H+](C)CCC(=O)Nc2ccc(Br)cc2)n1 ZINC000267128781 565107101 /nfs/dbraw/zinc/10/71/01/565107101.db2.gz VWNYEFGGRMVTLH-LLVKDONJSA-N 1 2 397.273 3.000 10 0 GGAELO CO[C@H](C)c1noc(C[N@@H+](C)CCC(=O)Nc2ccc(Br)cc2)n1 ZINC000267128781 565107105 /nfs/dbraw/zinc/10/71/05/565107105.db2.gz VWNYEFGGRMVTLH-LLVKDONJSA-N 1 2 397.273 3.000 10 0 GGAELO Cc1c(Cl)cc(NC(=O)C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1Cl ZINC000267310431 565114166 /nfs/dbraw/zinc/11/41/66/565114166.db2.gz CWYPIOVEWFNVAN-UHFFFAOYSA-N 1 2 381.263 3.370 10 0 GGAELO CSc1ccc(NC(=O)C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1Cl ZINC000267416338 565116397 /nfs/dbraw/zinc/11/63/97/565116397.db2.gz SBZXYXCYTDVAAQ-UHFFFAOYSA-N 1 2 378.885 3.130 10 0 GGAELO Cc1csc([C@H](C)[NH2+]CCS(=O)(=O)c2cccc(Br)c2)n1 ZINC000184164766 565117215 /nfs/dbraw/zinc/11/72/15/565117215.db2.gz ZETQDCFTSHHBSN-NSHDSACASA-N 1 2 389.340 3.339 10 0 GGAELO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)[C@@H]1CCCN1CC(F)(F)F ZINC000292563689 565121961 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Ic1cnc(C[NH2+]Cc2ccc(-c3cc[nH]n3)cc2)s1 ZINC000370287261 565136674 /nfs/dbraw/zinc/13/66/74/565136674.db2.gz DLMJIVRWOHFBEY-UHFFFAOYSA-N 1 2 396.257 3.428 10 0 GGAELO NC(=O)[C@@H]([NH2+]Cc1nc2ccccc2n1C1CC1)c1cccc(Br)c1 ZINC000184484279 565138264 /nfs/dbraw/zinc/13/82/64/565138264.db2.gz VPZFPXQZALIRMT-SFHVURJKSA-N 1 2 399.292 3.450 10 0 GGAELO NC(=O)[C@@H]([NH2+]Cc1nc2ccccc2n1C1CC1)c1ccc(Br)cc1 ZINC000184487862 565138345 /nfs/dbraw/zinc/13/83/45/565138345.db2.gz LOOQNOITTALSIB-SFHVURJKSA-N 1 2 399.292 3.450 10 0 GGAELO O=C1[C@@H]([NH+]2CCN(CCC(Cl)(Cl)Cl)CC2)CCN1c1ccccc1 ZINC000184550959 565143919 /nfs/dbraw/zinc/14/39/19/565143919.db2.gz ACSDNDZLLMIMOY-HNNXBMFYSA-N 1 2 390.742 3.170 10 0 GGAELO O=C1[C@@H](N2CC[NH+](CCC(Cl)(Cl)Cl)CC2)CCN1c1ccccc1 ZINC000184550959 565143924 /nfs/dbraw/zinc/14/39/24/565143924.db2.gz ACSDNDZLLMIMOY-HNNXBMFYSA-N 1 2 390.742 3.170 10 0 GGAELO Cc1ccc(S(=O)(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1Br ZINC000268207879 565144987 /nfs/dbraw/zinc/14/49/87/565144987.db2.gz HEOFZSLZEMPSKE-UHFFFAOYSA-N 1 2 384.299 3.049 10 0 GGAELO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)Cc1cscc1Br ZINC000292999929 565145710 /nfs/dbraw/zinc/14/57/10/565145710.db2.gz JKRBPZTVUXKBGP-UHFFFAOYSA-N 1 2 396.232 3.471 10 0 GGAELO CC(C)n1cc[nH+]c1C[S@](=O)Cc1nnc(-c2ccc(Cl)cc2)n1C ZINC000184623560 565148311 /nfs/dbraw/zinc/14/83/11/565148311.db2.gz WMSTVFAUVLAXOL-VWLOTQADSA-N 1 2 377.901 3.362 10 0 GGAELO C[C@@H](c1nnc(SC[C@H](O)C(F)(F)F)n1-c1ccc(F)cc1)[NH+](C)C ZINC000157917612 565148609 /nfs/dbraw/zinc/14/86/09/565148609.db2.gz XJRUENIPIHODKL-CABZTGNLSA-N 1 2 378.395 3.044 10 0 GGAELO O[C@H](COc1ccc(Br)cc1)C[N@@H+]1CCO[C@H](c2cccs2)C1 ZINC000157951180 565150041 /nfs/dbraw/zinc/15/00/41/565150041.db2.gz JARGWSNPYOHYAX-HOCLYGCPSA-N 1 2 398.322 3.324 10 0 GGAELO O[C@H](COc1ccc(Br)cc1)C[N@H+]1CCO[C@H](c2cccs2)C1 ZINC000157951180 565150044 /nfs/dbraw/zinc/15/00/44/565150044.db2.gz JARGWSNPYOHYAX-HOCLYGCPSA-N 1 2 398.322 3.324 10 0 GGAELO CN(C(=O)CCc1c[nH+]cn1C)[C@H]1CCOc2ccc(Br)cc21 ZINC000370596108 565151529 /nfs/dbraw/zinc/15/15/29/565151529.db2.gz CSMLULSQJKJCNY-HNNXBMFYSA-N 1 2 378.270 3.097 10 0 GGAELO O=C(c1cc(I)ccc1F)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000268591756 565159083 /nfs/dbraw/zinc/15/90/83/565159083.db2.gz UQOAOJSUZLVUKP-UHFFFAOYSA-N 1 2 399.207 3.173 10 0 GGAELO C[N@@H+]1CCO[C@@H](CNC(=O)Nc2ccc(Br)c(Cl)c2Cl)C1 ZINC000184873911 565162036 /nfs/dbraw/zinc/16/20/36/565162036.db2.gz FKMZYMIJEUOXQR-QMMMGPOBSA-N 1 2 397.100 3.208 10 0 GGAELO C[N@H+]1CCO[C@@H](CNC(=O)Nc2ccc(Br)c(Cl)c2Cl)C1 ZINC000184873911 565162037 /nfs/dbraw/zinc/16/20/37/565162037.db2.gz FKMZYMIJEUOXQR-QMMMGPOBSA-N 1 2 397.100 3.208 10 0 GGAELO C[C@@H](c1ccc(Br)cc1)[NH+]1CCN(C[C@H](O)C(F)(F)F)CC1 ZINC000158286052 565163387 /nfs/dbraw/zinc/16/33/87/565163387.db2.gz PFRZTIJSTNZMCO-FZMZJTMJSA-N 1 2 381.236 3.051 10 0 GGAELO C[C@@H](c1ccc(Br)cc1)N1CC[NH+](C[C@H](O)C(F)(F)F)CC1 ZINC000158286052 565163382 /nfs/dbraw/zinc/16/33/82/565163382.db2.gz PFRZTIJSTNZMCO-FZMZJTMJSA-N 1 2 381.236 3.051 10 0 GGAELO Brc1cscc1Cc1nc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)no1 ZINC000293413748 565166605 /nfs/dbraw/zinc/16/66/05/565166605.db2.gz UEVFJOPCGAJMCO-WCQYABFASA-N 1 2 384.299 3.410 10 0 GGAELO Brc1cscc1Cc1nc([C@H]2C[N@H+]3CCCC[C@H]3CO2)no1 ZINC000293413748 565166612 /nfs/dbraw/zinc/16/66/12/565166612.db2.gz UEVFJOPCGAJMCO-WCQYABFASA-N 1 2 384.299 3.410 10 0 GGAELO Cc1c(Br)c2ccccc2n1CC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000370902999 565166871 /nfs/dbraw/zinc/16/68/71/565166871.db2.gz OMPCPRMUKQYBGN-LBPRGKRZSA-N 1 2 387.281 3.109 10 0 GGAELO Cc1c(Br)c2ccccc2n1CC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000370902999 565166877 /nfs/dbraw/zinc/16/68/77/565166877.db2.gz OMPCPRMUKQYBGN-LBPRGKRZSA-N 1 2 387.281 3.109 10 0 GGAELO CC(C)Oc1cc(Br)ccc1C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000370903594 565167104 /nfs/dbraw/zinc/16/71/04/565167104.db2.gz VVZPTQNTPWVOAS-GFCCVEGCSA-N 1 2 378.270 3.247 10 0 GGAELO CC(C)Oc1cc(Br)ccc1C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000370903594 565167105 /nfs/dbraw/zinc/16/71/05/565167105.db2.gz VVZPTQNTPWVOAS-GFCCVEGCSA-N 1 2 378.270 3.247 10 0 GGAELO CC(C)C(=O)N1CCC[N@H+](Cc2nc3cc(Br)ccc3[nH]2)CC1 ZINC000184963841 565168915 /nfs/dbraw/zinc/16/89/15/565168915.db2.gz DCHWKUGAOGDZIE-UHFFFAOYSA-N 1 2 379.302 3.016 10 0 GGAELO CC(C)C(=O)N1CCC[N@@H+](Cc2nc3cc(Br)ccc3[nH]2)CC1 ZINC000184963841 565168919 /nfs/dbraw/zinc/16/89/19/565168919.db2.gz DCHWKUGAOGDZIE-UHFFFAOYSA-N 1 2 379.302 3.016 10 0 GGAELO Brc1ccc2[nH]c(CN3CCCC[C@@H]3C[NH+]3CCOCC3)nc2c1 ZINC000184976148 565169315 /nfs/dbraw/zinc/16/93/15/565169315.db2.gz RDSXGCJONIIYJJ-OAHLLOKOSA-N 1 2 393.329 3.012 10 0 GGAELO Brc1ccc2[nH]c(C[N@@H+]3CCCC[C@@H]3CN3CCOCC3)nc2c1 ZINC000184976148 565169321 /nfs/dbraw/zinc/16/93/21/565169321.db2.gz RDSXGCJONIIYJJ-OAHLLOKOSA-N 1 2 393.329 3.012 10 0 GGAELO Brc1ccc2[nH]c(C[N@H+]3CCCC[C@@H]3CN3CCOCC3)nc2c1 ZINC000184976148 565169327 /nfs/dbraw/zinc/16/93/27/565169327.db2.gz RDSXGCJONIIYJJ-OAHLLOKOSA-N 1 2 393.329 3.012 10 0 GGAELO CCO[C@@H]1C[C@H](O)C12CC[NH+](Cc1nc3ccc(Br)cc3[nH]1)CC2 ZINC000184974114 565169489 /nfs/dbraw/zinc/16/94/89/565169489.db2.gz VNTZVAFLDONMOC-JKSUJKDBSA-N 1 2 394.313 3.077 10 0 GGAELO Cc1ccc(CCC(=O)NCc2ccc[nH+]c2N(C)C)c(Br)c1 ZINC000185002943 565170277 /nfs/dbraw/zinc/17/02/77/565170277.db2.gz CGBRYUWCBOVDTC-UHFFFAOYSA-N 1 2 376.298 3.468 10 0 GGAELO O=C(NCc1ccc(-n2cc[nH+]c2)nc1)c1c[nH]c2cccc(Br)c21 ZINC000371238885 565183167 /nfs/dbraw/zinc/18/31/67/565183167.db2.gz KMBRJQZMVJGPIH-UHFFFAOYSA-N 1 2 396.248 3.441 10 0 GGAELO Cc1cc(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)c2cc(Br)ccc2n1 ZINC000371307235 565185682 /nfs/dbraw/zinc/18/56/82/565185682.db2.gz CDXNCFOARFDBLN-LBPRGKRZSA-N 1 2 385.265 3.316 10 0 GGAELO Cc1cc(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)c2cc(Br)ccc2n1 ZINC000371307235 565185687 /nfs/dbraw/zinc/18/56/87/565185687.db2.gz CDXNCFOARFDBLN-LBPRGKRZSA-N 1 2 385.265 3.316 10 0 GGAELO Cc1ccc(CS(=O)(=O)CC(=O)N[C@@H](C)c2ccc(Cl)cc2)c(C)[nH+]1 ZINC000185233185 565188529 /nfs/dbraw/zinc/18/85/29/565188529.db2.gz ZCIGXTUVMOJCCV-ZDUSSCGKSA-N 1 2 380.897 3.144 10 0 GGAELO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)c1ccn(-c2ccc(Cl)c(Cl)c2)n1 ZINC000371361582 565188702 /nfs/dbraw/zinc/18/87/02/565188702.db2.gz RYABXFTWFXYQIP-SNVBAGLBSA-N 1 2 376.247 3.190 10 0 GGAELO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)c1ccn(-c2ccc(Cl)c(Cl)c2)n1 ZINC000371361582 565188711 /nfs/dbraw/zinc/18/87/11/565188711.db2.gz RYABXFTWFXYQIP-SNVBAGLBSA-N 1 2 376.247 3.190 10 0 GGAELO CCC1(CC)C[N@H+](CC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)CC[S@]1=O ZINC000185250158 565190952 /nfs/dbraw/zinc/19/09/52/565190952.db2.gz QELQOMYXXYBSAG-ODCWNRFASA-N 1 2 384.973 3.483 10 0 GGAELO CCC1(CC)C[N@@H+](CC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)CC[S@]1=O ZINC000185250158 565190957 /nfs/dbraw/zinc/19/09/57/565190957.db2.gz QELQOMYXXYBSAG-ODCWNRFASA-N 1 2 384.973 3.483 10 0 GGAELO CCCNC(=O)[C@H]1CCC[N@H+](Cc2nc3ccc(Br)cc3[nH]2)C1 ZINC000159047702 565192624 /nfs/dbraw/zinc/19/26/24/565192624.db2.gz JTJKLSDHETUWQP-LBPRGKRZSA-N 1 2 379.302 3.064 10 0 GGAELO CCCNC(=O)[C@H]1CCC[N@@H+](Cc2nc3ccc(Br)cc3[nH]2)C1 ZINC000159047702 565192628 /nfs/dbraw/zinc/19/26/28/565192628.db2.gz JTJKLSDHETUWQP-LBPRGKRZSA-N 1 2 379.302 3.064 10 0 GGAELO CCCCNC(=O)[C@H]1CCC[N@H+](Cc2nc3ccc(Br)cc3[nH]2)C1 ZINC000159051231 565192680 /nfs/dbraw/zinc/19/26/80/565192680.db2.gz DFRVHFFDEVYSLB-ZDUSSCGKSA-N 1 2 393.329 3.454 10 0 GGAELO CCCCNC(=O)[C@H]1CCC[N@@H+](Cc2nc3ccc(Br)cc3[nH]2)C1 ZINC000159051231 565192686 /nfs/dbraw/zinc/19/26/86/565192686.db2.gz DFRVHFFDEVYSLB-ZDUSSCGKSA-N 1 2 393.329 3.454 10 0 GGAELO O=C(CCOc1ccc(Cl)cc1Br)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000371443582 565194317 /nfs/dbraw/zinc/19/43/17/565194317.db2.gz RJWAUQFYEFFSJI-LLVKDONJSA-N 1 2 398.688 3.268 10 0 GGAELO O=C(CCOc1ccc(Cl)cc1Br)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000371443582 565194320 /nfs/dbraw/zinc/19/43/20/565194320.db2.gz RJWAUQFYEFFSJI-LLVKDONJSA-N 1 2 398.688 3.268 10 0 GGAELO O=C(NCc1cccnc1-n1cc[nH+]c1)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000371476088 565195378 /nfs/dbraw/zinc/19/53/78/565195378.db2.gz VKGMDVNJPDBIKT-DLBZAZTESA-N 1 2 397.276 3.450 10 0 GGAELO CCCC(=O)NC[C@H]1CCC[N@H+](Cc2nc3ccc(Br)cc3[nH]2)C1 ZINC000159161966 565196718 /nfs/dbraw/zinc/19/67/18/565196718.db2.gz MJMJJVFWOUNZPS-CYBMUJFWSA-N 1 2 393.329 3.454 10 0 GGAELO CCCC(=O)NC[C@H]1CCC[N@@H+](Cc2nc3ccc(Br)cc3[nH]2)C1 ZINC000159161966 565196722 /nfs/dbraw/zinc/19/67/22/565196722.db2.gz MJMJJVFWOUNZPS-CYBMUJFWSA-N 1 2 393.329 3.454 10 0 GGAELO CC(C)C[C@@H](CO)[N@H+](C)Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000185347315 565197126 /nfs/dbraw/zinc/19/71/26/565197126.db2.gz PSLZTJWWPMJTKY-INIZCTEOSA-N 1 2 382.551 3.052 10 0 GGAELO CC(C)C[C@@H](CO)[N@@H+](C)Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000185347315 565197130 /nfs/dbraw/zinc/19/71/30/565197130.db2.gz PSLZTJWWPMJTKY-INIZCTEOSA-N 1 2 382.551 3.052 10 0 GGAELO Cc1nc(N2CCN(C(=O)[C@@H](C)Sc3ccccc3Cl)CC2)cc[nH+]1 ZINC000185422923 565200247 /nfs/dbraw/zinc/20/02/47/565200247.db2.gz UPJDHXYQMSGQFC-CYBMUJFWSA-N 1 2 376.913 3.268 10 0 GGAELO Cc1nc(N2CCN(C(=O)CSCc3cccc(Cl)c3)CC2)cc[nH+]1 ZINC000185428927 565201843 /nfs/dbraw/zinc/20/18/43/565201843.db2.gz UCPPXMGFDYSVIO-UHFFFAOYSA-N 1 2 376.913 3.020 10 0 GGAELO Cc1nc(N2CCN(C(=O)[C@H](C)c3ccc(Br)s3)CC2)cc[nH+]1 ZINC000185443653 565202025 /nfs/dbraw/zinc/20/20/25/565202025.db2.gz FMJWBCGDVWINTD-LLVKDONJSA-N 1 2 395.326 3.061 10 0 GGAELO Cn1ncc(C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)c1Cl ZINC000294306194 565207769 /nfs/dbraw/zinc/20/77/69/565207769.db2.gz CHSQYGXZOBECPC-AWEZNQCLSA-N 1 2 385.270 3.433 10 0 GGAELO Clc1ccc2c(c1Cl)OC[C@H]2[NH2+]Cc1cn(Cc2cccnc2)nn1 ZINC000371745914 565207992 /nfs/dbraw/zinc/20/79/92/565207992.db2.gz ZQPDQVVWJVKBOS-OAHLLOKOSA-N 1 2 376.247 3.252 10 0 GGAELO Clc1ccc2c(c1Cl)OC[C@@H]2[NH2+]Cc1cn(Cc2cccnc2)nn1 ZINC000371745913 565208419 /nfs/dbraw/zinc/20/84/19/565208419.db2.gz ZQPDQVVWJVKBOS-HNNXBMFYSA-N 1 2 376.247 3.252 10 0 GGAELO CSCCCC(=O)N1CCC[N@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000371820688 565211417 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O=C(CCn1cc[nH+]c1)NCc1ccc(Br)cc1C(F)(F)F ZINC000270715101 565225806 /nfs/dbraw/zinc/22/58/06/565225806.db2.gz POKXNEQOOBIOPX-UHFFFAOYSA-N 1 2 376.176 3.371 10 0 GGAELO C[C@@]1(C(N)=O)CCCC[N@@H+]1Cc1ncc(-c2cccc(Br)c2)o1 ZINC000185912709 565229009 /nfs/dbraw/zinc/22/90/09/565229009.db2.gz VIWUIIDUIOHNIW-KRWDZBQOSA-N 1 2 378.270 3.334 10 0 GGAELO C[C@@]1(C(N)=O)CCCC[N@H+]1Cc1ncc(-c2cccc(Br)c2)o1 ZINC000185912709 565229013 /nfs/dbraw/zinc/22/90/13/565229013.db2.gz VIWUIIDUIOHNIW-KRWDZBQOSA-N 1 2 378.270 3.334 10 0 GGAELO CS(=O)(=O)c1cccc(C[N@H+](CCO)Cc2ccc(Cl)c(Cl)c2)c1 ZINC000294811040 565229649 /nfs/dbraw/zinc/22/96/49/565229649.db2.gz MAZNPZGKAYOWKT-UHFFFAOYSA-N 1 2 388.316 3.391 10 0 GGAELO CS(=O)(=O)c1cccc(C[N@@H+](CCO)Cc2ccc(Cl)c(Cl)c2)c1 ZINC000294811040 565229652 /nfs/dbraw/zinc/22/96/52/565229652.db2.gz MAZNPZGKAYOWKT-UHFFFAOYSA-N 1 2 388.316 3.391 10 0 GGAELO C[C@@H]1CN(C(=O)c2ccc(Cl)cc2C(F)(F)F)C[C@H]1[NH+]1CCOCC1 ZINC000185937269 565229808 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C[C@@H]1CCN(C(=O)c2cc(Br)c(F)cc2O)C[C@H]1n1cc[nH+]c1 ZINC000295120766 565246449 /nfs/dbraw/zinc/24/64/49/565246449.db2.gz MJCKRGBJKRLFHM-QMTHXVAHSA-N 1 2 382.233 3.214 10 0 GGAELO C[C@H]1CCN(C(=O)c2cc(Br)c(F)cc2O)C[C@H]1n1cc[nH+]c1 ZINC000295120764 565246992 /nfs/dbraw/zinc/24/69/92/565246992.db2.gz MJCKRGBJKRLFHM-IINYFYTJSA-N 1 2 382.233 3.214 10 0 GGAELO O=C(Nc1cc(Cl)cc(C(F)(F)F)c1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000186300782 565253633 /nfs/dbraw/zinc/25/36/33/565253633.db2.gz ZGEUZFUVHPLQMT-AWEZNQCLSA-N 1 2 377.794 3.297 10 0 GGAELO Cc1cn2c([nH+]1)CN(Cc1ncc(Br)cc1Br)CC2 ZINC000372807653 565255754 /nfs/dbraw/zinc/25/57/54/565255754.db2.gz XOZYZZAHQVTWDT-UHFFFAOYSA-N 1 2 386.091 3.127 10 0 GGAELO O=C(c1c(F)cccc1Br)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186382603 565257873 /nfs/dbraw/zinc/25/78/73/565257873.db2.gz OLHCNUFJKQNCRH-UHFFFAOYSA-N 1 2 378.245 3.336 10 0 GGAELO CCn1cc(Br)cc1C(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186389832 565258328 /nfs/dbraw/zinc/25/83/28/565258328.db2.gz 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Cc1[nH+]ccn1-c1ncccc1NC(=O)c1cc(Br)cc2nc[nH]c21 ZINC000373863418 565307330 /nfs/dbraw/zinc/30/73/30/565307330.db2.gz BECXFQCQLXLADG-UHFFFAOYSA-N 1 2 397.236 3.467 10 0 GGAELO COc1cccc(F)c1[C@H](C)[NH2+][C@@H](C(N)=O)c1cccc(Br)c1 ZINC000162168344 565307528 /nfs/dbraw/zinc/30/75/28/565307528.db2.gz NVDMWOIXDWQNNK-MGPLVRAMSA-N 1 2 381.245 3.474 10 0 GGAELO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3cc(S(C)(=O)=O)cs3)n2)C1 ZINC000162271407 565311340 /nfs/dbraw/zinc/31/13/40/565311340.db2.gz HVTUSKUKYXGTRZ-LLVKDONJSA-N 1 2 399.563 3.092 10 0 GGAELO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3cc(S(C)(=O)=O)cs3)n2)C1 ZINC000162271407 565311346 /nfs/dbraw/zinc/31/13/46/565311346.db2.gz HVTUSKUKYXGTRZ-LLVKDONJSA-N 1 2 399.563 3.092 10 0 GGAELO C[C@@H]1C[N@H+](Cc2nc3cc(Br)ccc3[nH]2)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000374017448 565316011 /nfs/dbraw/zinc/31/60/11/565316011.db2.gz KYZBCWLSSQKIJM-VFVRVIDISA-N 1 2 394.313 3.484 10 0 GGAELO C[C@@H]1C[N@@H+](Cc2nc3cc(Br)ccc3[nH]2)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000374017448 565316017 /nfs/dbraw/zinc/31/60/17/565316017.db2.gz KYZBCWLSSQKIJM-VFVRVIDISA-N 1 2 394.313 3.484 10 0 GGAELO C[C@@H]1C[C@]2(CCO1)C[N@@H+](Cc1nc3cc(Br)ccc3[nH]1)C[C@H](C)O2 ZINC000374017443 565316245 /nfs/dbraw/zinc/31/62/45/565316245.db2.gz KYZBCWLSSQKIJM-FHSNZYRGSA-N 1 2 394.313 3.484 10 0 GGAELO C[C@@H]1C[C@]2(CCO1)C[N@H+](Cc1nc3cc(Br)ccc3[nH]1)C[C@H](C)O2 ZINC000374017443 565316248 /nfs/dbraw/zinc/31/62/48/565316248.db2.gz KYZBCWLSSQKIJM-FHSNZYRGSA-N 1 2 394.313 3.484 10 0 GGAELO Cc1ccc(C[S@](=O)CC(=O)Nc2ccc(Br)cc2)c(C)[nH+]1 ZINC000187214694 565316965 /nfs/dbraw/zinc/31/69/65/565316965.db2.gz JJPPTNPBZUNMRQ-QFIPXVFZSA-N 1 2 381.295 3.348 10 0 GGAELO O=C(NCc1cccnc1-n1cc[nH+]c1)c1cc(Br)ncc1Cl ZINC000187255913 565319494 /nfs/dbraw/zinc/31/94/94/565319494.db2.gz PMXPSIIMKBVOGR-UHFFFAOYSA-N 1 2 392.644 3.008 10 0 GGAELO Cc1ccc(CSc2nc3cc(S(=O)(=O)N(C)C)ccc3o2)c(C)[nH+]1 ZINC000187296406 565321524 /nfs/dbraw/zinc/32/15/24/565321524.db2.gz AIBSKESFMXWFCN-UHFFFAOYSA-N 1 2 377.491 3.382 10 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Cc1cc(Br)ccc1CN(C)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000378063686 565510563 /nfs/dbraw/zinc/51/05/63/565510563.db2.gz XDPSLFSMYXYQBY-CQSZACIVSA-N 1 2 377.286 3.180 10 0 GGAELO Cc1cc(Br)ccc1CN(C)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000378063686 565510566 /nfs/dbraw/zinc/51/05/66/565510566.db2.gz XDPSLFSMYXYQBY-CQSZACIVSA-N 1 2 377.286 3.180 10 0 GGAELO O=C(c1ccc(F)cc1I)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000378074236 565511463 /nfs/dbraw/zinc/51/14/63/565511463.db2.gz ISDBOXMMGCTFQS-UHFFFAOYSA-N 1 2 399.207 3.173 10 0 GGAELO O=C(c1ccc(F)cc1I)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000378074236 565511464 /nfs/dbraw/zinc/51/14/64/565511464.db2.gz ISDBOXMMGCTFQS-UHFFFAOYSA-N 1 2 399.207 3.173 10 0 GGAELO C[C@H](Oc1cccc(Br)c1)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000378079606 565511916 /nfs/dbraw/zinc/51/19/16/565511916.db2.gz QZLAPAYXVNPNGA-LBPRGKRZSA-N 1 2 378.270 3.346 10 0 GGAELO C[C@H](Oc1cccc(Br)c1)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000378079606 565511923 /nfs/dbraw/zinc/51/19/23/565511923.db2.gz 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O=C(Cc1csc(-c2ccc(Cl)s2)n1)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000378320298 565520875 /nfs/dbraw/zinc/52/08/75/565520875.db2.gz XHWFDLCGAWYCII-SECBINFHSA-N 1 2 378.910 3.464 10 0 GGAELO O=C(Cc1csc(-c2ccc(Cl)s2)n1)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000378320298 565520880 /nfs/dbraw/zinc/52/08/80/565520880.db2.gz XHWFDLCGAWYCII-SECBINFHSA-N 1 2 378.910 3.464 10 0 GGAELO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(Br)cc1C(F)(F)F ZINC000378456204 565528818 /nfs/dbraw/zinc/52/88/18/565528818.db2.gz CELDIZWOKIIRBD-SECBINFHSA-N 1 2 388.187 3.478 10 0 GGAELO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)c1ccc(Br)cc1C(F)(F)F ZINC000378456204 565528821 /nfs/dbraw/zinc/52/88/21/565528821.db2.gz CELDIZWOKIIRBD-SECBINFHSA-N 1 2 388.187 3.478 10 0 GGAELO COc1cc(Br)ccc1[C@@H](C)[NH2+]Cc1nnnn1-c1ccccc1 ZINC000190437606 565532434 /nfs/dbraw/zinc/53/24/34/565532434.db2.gz JXPRYZHMJJPFAR-GFCCVEGCSA-N 1 2 388.269 3.284 10 0 GGAELO COc1cc(Br)ccc1[C@H](C)[NH2+]Cc1nnnn1-c1ccccc1 ZINC000190437589 565532445 /nfs/dbraw/zinc/53/24/45/565532445.db2.gz JXPRYZHMJJPFAR-LBPRGKRZSA-N 1 2 388.269 3.284 10 0 GGAELO Cc1nccc(N2CCN(c3cc[nH+]c4c(Br)cccc34)CC2)n1 ZINC000302135919 565532784 /nfs/dbraw/zinc/53/27/84/565532784.db2.gz BAYXBYURMOEOGB-UHFFFAOYSA-N 1 2 384.281 3.422 10 0 GGAELO CNC(=O)Cc1nc(C[NH2+][C@@H](C)c2ccc(Br)cc2OC)cs1 ZINC000190453166 565533358 /nfs/dbraw/zinc/53/33/58/565533358.db2.gz GNADZJGUQCWPKZ-JTQLQIEISA-N 1 2 398.326 3.054 10 0 GGAELO Cc1nc(N2CCN(c3ccc4cc(Br)ccc4n3)CC2)cc[nH+]1 ZINC000302180012 565534780 /nfs/dbraw/zinc/53/47/80/565534780.db2.gz YZRXIDDIAKRAJO-UHFFFAOYSA-N 1 2 384.281 3.422 10 0 GGAELO COc1cc(Br)ccc1C[NH2+][C@H]1CS(=O)(=O)c2ccccc21 ZINC000378621138 565536486 /nfs/dbraw/zinc/53/64/86/565536486.db2.gz YDQWXRHIWZOKFO-AWEZNQCLSA-N 1 2 382.279 3.076 10 0 GGAELO Cc1cc(Br)cn2cc(CCNC(=O)c3c[nH]nc3C(C)C)[nH+]c12 ZINC000278070809 565537975 /nfs/dbraw/zinc/53/79/75/565537975.db2.gz ODIJSZMKPIOMQH-UHFFFAOYSA-N 1 2 390.285 3.224 10 0 GGAELO CCOC(=O)c1cccnc1NCc1cn2cc(Br)ccc2[nH+]1 ZINC000302229464 565538644 /nfs/dbraw/zinc/53/86/44/565538644.db2.gz RJEHLZLLUNYOSD-UHFFFAOYSA-N 1 2 375.226 3.281 10 0 GGAELO C[C@@H]1COCC[C@H]1[NH2+]Cc1cc(Br)c(O)c(Br)c1 ZINC000302285635 565539355 /nfs/dbraw/zinc/53/93/55/565539355.db2.gz CBEVHMHSOWDTIQ-PRHODGIISA-N 1 2 379.092 3.432 10 0 GGAELO C[C@H]1C[NH+]=C(N2CCN(c3nn4cc(C5CCCC5)nc4s3)CC2)S1 ZINC000302503061 565543116 /nfs/dbraw/zinc/54/31/16/565543116.db2.gz DFGKUSHPVHRNMV-LBPRGKRZSA-N 1 2 376.555 3.062 10 0 GGAELO CC[C@H](C)[NH+]1CCN(S(=O)(=O)c2c(Cl)cccc2Br)CC1 ZINC000385672792 565545434 /nfs/dbraw/zinc/54/54/34/565545434.db2.gz BFDMIBNDOIKQLE-NSHDSACASA-N 1 2 395.750 3.207 10 0 GGAELO Cc1ncc(C[NH+]2CCN(C(=O)c3cccc(Br)c3C)CC2)s1 ZINC000173305613 565545838 /nfs/dbraw/zinc/54/58/38/565545838.db2.gz CGSZNBVHGHMQHV-UHFFFAOYSA-N 1 2 394.338 3.480 10 0 GGAELO Cc1ccc(Br)cc1CNc1cc(N2CCC[C@@H]2CO)nc[nH+]1 ZINC000302562917 565546212 /nfs/dbraw/zinc/54/62/12/565546212.db2.gz NOVYUUYDBZDJCP-OAHLLOKOSA-N 1 2 377.286 3.121 10 0 GGAELO Cc1ccc(Br)cc1CNc1cc(N2CCC[C@@H]2CO)[nH+]cn1 ZINC000302562917 565546219 /nfs/dbraw/zinc/54/62/19/565546219.db2.gz NOVYUUYDBZDJCP-OAHLLOKOSA-N 1 2 377.286 3.121 10 0 GGAELO O=C(NCCc1ccc(Cl)cc1Cl)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000173310037 565546822 /nfs/dbraw/zinc/54/68/22/565546822.db2.gz ALMAKDNAQXLHTH-MRXNPFEDSA-N 1 2 386.323 3.042 10 0 GGAELO Cn1ncc(Br)c1C[NH2+]Cc1cc(Br)ccc1F ZINC000278401432 565556523 /nfs/dbraw/zinc/55/65/23/565556523.db2.gz NTJLXNQZSOYHLM-UHFFFAOYSA-N 1 2 377.055 3.374 10 0 GGAELO O=C(COc1cc(Cl)cc(Cl)c1)NCc1cccnc1-n1cc[nH+]c1 ZINC000173324113 565549250 /nfs/dbraw/zinc/54/92/50/565549250.db2.gz VNPSVZNHORZYLL-UHFFFAOYSA-N 1 2 377.231 3.269 10 0 GGAELO CN(C)S(=O)(=O)c1cccc(C[NH2+]Cc2ccsc2Br)c1 ZINC000388383747 565550654 /nfs/dbraw/zinc/55/06/54/565550654.db2.gz WVBOJIJYAYKSDC-UHFFFAOYSA-N 1 2 389.340 3.051 10 0 GGAELO FC(F)(F)c1nc(NC2CC([NH+]3CCOCC3)C2)sc1Br ZINC000624333794 565551224 /nfs/dbraw/zinc/55/12/24/565551224.db2.gz XAOCPVSBUQWZDB-UHFFFAOYSA-N 1 2 386.237 3.200 10 0 GGAELO C[C@H]([NH2+]Cc1c(Br)cnn1C)c1cccc(N2CCCC2=O)c1 ZINC000278357954 565553437 /nfs/dbraw/zinc/55/34/37/565553437.db2.gz IOEVYISBJHGCON-LBPRGKRZSA-N 1 2 377.286 3.160 10 0 GGAELO C[C@@H]1CN(C(=O)c2[nH]c3ccc(Cl)cc3c2Cl)C[C@H]1[NH+]1CCOCC1 ZINC000173396938 565554936 /nfs/dbraw/zinc/55/49/36/565554936.db2.gz QXXBSZYFYFMNEB-IAQYHMDHSA-N 1 2 382.291 3.267 10 0 GGAELO Cc1cc(CCNc2[nH+]cnc3c2c(Br)nn3C)cc(C)c1O ZINC000302780164 565557062 /nfs/dbraw/zinc/55/70/62/565557062.db2.gz REBJUPMAUUKHGK-UHFFFAOYSA-N 1 2 376.258 3.103 10 0 GGAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2cc(Cl)sc2Cl)nc[nH+]1 ZINC000173435229 565557793 /nfs/dbraw/zinc/55/77/93/565557793.db2.gz UOYQLRRBZOEQMO-SECBINFHSA-N 1 2 386.308 3.285 10 0 GGAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2cc(Cl)sc2Cl)[nH+]cn1 ZINC000173435229 565557798 /nfs/dbraw/zinc/55/77/98/565557798.db2.gz UOYQLRRBZOEQMO-SECBINFHSA-N 1 2 386.308 3.285 10 0 GGAELO Cn1ncc(Br)c1C[NH2+]Cc1cc(F)ccc1Br ZINC000278474062 565560909 /nfs/dbraw/zinc/56/09/09/565560909.db2.gz ZXLKCFHTMDJVRS-UHFFFAOYSA-N 1 2 377.055 3.374 10 0 GGAELO OC[C@H]1CCCCN1c1cc(NCc2cc(F)cc(Br)c2)[nH+]cn1 ZINC000302875192 565561196 /nfs/dbraw/zinc/56/11/96/565561196.db2.gz DVZDMXVDEDPEDR-OAHLLOKOSA-N 1 2 395.276 3.342 10 0 GGAELO OC[C@H]1CCCCN1c1cc(NCc2cc(F)cc(Br)c2)nc[nH+]1 ZINC000302875192 565561202 /nfs/dbraw/zinc/56/12/02/565561202.db2.gz DVZDMXVDEDPEDR-OAHLLOKOSA-N 1 2 395.276 3.342 10 0 GGAELO Cn1ncc2c1nc(NCC(C)(C)c1ccc(Br)cc1)[nH+]c2N ZINC000302859178 565561272 /nfs/dbraw/zinc/56/12/72/565561272.db2.gz UBIYLKYUQWWGLT-UHFFFAOYSA-N 1 2 375.274 3.098 10 0 GGAELO CN(C)C(=O)[C@H]1CCC[N@@H+]1Cc1ncc(-c2ccc(Br)cc2)o1 ZINC000173505356 565561809 /nfs/dbraw/zinc/56/18/09/565561809.db2.gz LCZJPCOXEUSILD-CQSZACIVSA-N 1 2 378.270 3.157 10 0 GGAELO CN(C)C(=O)[C@H]1CCC[N@H+]1Cc1ncc(-c2ccc(Br)cc2)o1 ZINC000173505356 565561814 /nfs/dbraw/zinc/56/18/14/565561814.db2.gz LCZJPCOXEUSILD-CQSZACIVSA-N 1 2 378.270 3.157 10 0 GGAELO Brc1ccc([C@H]2C[C@H]2Nc2cc(N3CCOCC3)nc[nH+]2)cc1 ZINC000302879818 565562128 /nfs/dbraw/zinc/56/21/28/565562128.db2.gz HDKJWHACVBNIQZ-HUUCEWRRSA-N 1 2 375.270 3.044 10 0 GGAELO Brc1ccc([C@H]2C[C@H]2Nc2cc(N3CCOCC3)[nH+]cn2)cc1 ZINC000302879818 565562130 /nfs/dbraw/zinc/56/21/30/565562130.db2.gz HDKJWHACVBNIQZ-HUUCEWRRSA-N 1 2 375.270 3.044 10 0 GGAELO COc1cc(Br)ccc1[C@@H](C)Nc1cc(N2CCOCC2)nc[nH+]1 ZINC000302857022 565562159 /nfs/dbraw/zinc/56/21/59/565562159.db2.gz SFWUQDPNYKPDJO-GFCCVEGCSA-N 1 2 393.285 3.257 10 0 GGAELO COc1cc(Br)ccc1[C@@H](C)Nc1cc(N2CCOCC2)[nH+]cn1 ZINC000302857022 565562163 /nfs/dbraw/zinc/56/21/63/565562163.db2.gz SFWUQDPNYKPDJO-GFCCVEGCSA-N 1 2 393.285 3.257 10 0 GGAELO CC[C@H](Nc1nc2c(cnn2C)c(N)[nH+]1)c1cc(F)cc(Br)c1 ZINC000302900384 565562976 /nfs/dbraw/zinc/56/29/76/565562976.db2.gz SMNDRSDPWKBSAV-LBPRGKRZSA-N 1 2 379.237 3.410 10 0 GGAELO C[C@H](CN(C)c1nc2c(cnn2C)c(N)[nH+]1)Oc1ccc(Cl)c(Cl)c1 ZINC000302906906 565563064 /nfs/dbraw/zinc/56/30/64/565563064.db2.gz XGWVWNOFCXPYFW-SECBINFHSA-N 1 2 381.267 3.156 10 0 GGAELO COc1ccc(C(=O)C2CC[NH+](Cc3c(Br)cnn3C)CC2)cc1 ZINC000278509470 565563513 /nfs/dbraw/zinc/56/35/13/565563513.db2.gz WNFNHQRQOHCANC-UHFFFAOYSA-N 1 2 392.297 3.286 10 0 GGAELO C[C@@H](C1CC1)N(C(=O)C[NH+]1CCN(Cc2ccc(Cl)s2)CC1)C1CC1 ZINC000302924708 565564762 /nfs/dbraw/zinc/56/47/62/565564762.db2.gz BWEYELBUYAIYDE-AWEZNQCLSA-N 1 2 381.973 3.309 10 0 GGAELO C[C@H]([NH2+]Cc1ncc(C(F)(F)F)s1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000278572227 565565483 /nfs/dbraw/zinc/56/54/83/565565483.db2.gz DSUXZFRCCDJZFS-JTQLQIEISA-N 1 2 393.456 3.263 10 0 GGAELO Cc1csc(C(=O)NCc2ccnc(-n3cc[nH+]c3)c2)c1Br ZINC000190897725 565568264 /nfs/dbraw/zinc/56/82/64/565568264.db2.gz CSYBQNLHWXGQHC-UHFFFAOYSA-N 1 2 377.267 3.330 10 0 GGAELO Cc1ncc(CN(C)C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)s1 ZINC000190890457 565568443 /nfs/dbraw/zinc/56/84/43/565568443.db2.gz OVRHCQOREPXUHQ-UHFFFAOYSA-N 1 2 378.929 3.305 10 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LVDRCQZHOSFRQU-UHFFFAOYSA-N 1 2 390.079 3.018 10 0 GGAELO OCC[N@H+](CCOCC(F)(F)F)Cc1ncc(-c2ccccc2Cl)o1 ZINC000173736799 565580069 /nfs/dbraw/zinc/58/00/69/565580069.db2.gz LCSLKKYJAHSWRH-UHFFFAOYSA-N 1 2 378.778 3.368 10 0 GGAELO OCC[N@@H+](CCOCC(F)(F)F)Cc1ncc(-c2ccccc2Cl)o1 ZINC000173736799 565580073 /nfs/dbraw/zinc/58/00/73/565580073.db2.gz LCSLKKYJAHSWRH-UHFFFAOYSA-N 1 2 378.778 3.368 10 0 GGAELO COCC[C@@H](COC)[NH2+]Cc1cc(Br)c(O)c(Br)c1 ZINC000311586186 565580913 /nfs/dbraw/zinc/58/09/13/565580913.db2.gz YRCLTWYSDXVYAU-JTQLQIEISA-N 1 2 397.107 3.058 10 0 GGAELO C[C@@H](NC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)c1cc(F)c(Cl)cc1Cl ZINC000173766395 565584082 /nfs/dbraw/zinc/58/40/82/565584082.db2.gz MIADWAIVYDDDCA-VXGBXAGGSA-N 1 2 390.286 3.310 10 0 GGAELO C[C@@H](NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)c1cc(F)c(Cl)cc1Cl ZINC000173766370 565584213 /nfs/dbraw/zinc/58/42/13/565584213.db2.gz MIADWAIVYDDDCA-NEPJUHHUSA-N 1 2 390.286 3.310 10 0 GGAELO Cn1c[nH+]c(CCNC(=O)c2ccc(Br)cc2C(F)(F)F)c1 ZINC000313497791 565584349 /nfs/dbraw/zinc/58/43/49/565584349.db2.gz SAOKQDFOBULMKT-UHFFFAOYSA-N 1 2 376.176 3.174 10 0 GGAELO O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173775980 565584689 /nfs/dbraw/zinc/58/46/89/565584689.db2.gz BBODIPYXAQVMPW-LBPRGKRZSA-N 1 2 377.794 3.297 10 0 GGAELO O=C(Nc1ccc(Br)cc1Cl)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173778405 565585337 /nfs/dbraw/zinc/58/53/37/565585337.db2.gz MSZBJHQBLUUQCD-LBPRGKRZSA-N 1 2 388.693 3.041 10 0 GGAELO O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173775996 565585376 /nfs/dbraw/zinc/58/53/76/565585376.db2.gz BBODIPYXAQVMPW-GFCCVEGCSA-N 1 2 377.794 3.297 10 0 GGAELO C[C@H](NC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)c1c(Cl)ccc(F)c1Cl ZINC000173784547 565585851 /nfs/dbraw/zinc/58/58/51/565585851.db2.gz BNBGYUYCMMWVGM-NWDGAFQWSA-N 1 2 390.286 3.310 10 0 GGAELO C[C@H](NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1)c1cccc(Br)c1 ZINC000173792058 565586131 /nfs/dbraw/zinc/58/61/31/565586131.db2.gz SNQBPINAHIPWNT-YOEHRIQHSA-N 1 2 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GGAELO CC(C)(C[NH+]1CCOCC1)NC(=O)c1cc(F)c(Br)cc1Cl ZINC000413956253 565883388 /nfs/dbraw/zinc/88/33/88/565883388.db2.gz MEJUXEVXJISLDL-UHFFFAOYSA-N 1 2 393.684 3.082 10 0 GGAELO C[C@@H](NC(=O)C[NH+]1CCC(c2ccn[nH]2)CC1)c1ccc(Br)cc1 ZINC000195506187 565888878 /nfs/dbraw/zinc/88/88/78/565888878.db2.gz ZDZJVKNOJNXXLP-CYBMUJFWSA-N 1 2 391.313 3.229 10 0 GGAELO Cc1c(Br)ccc(C(=O)N(C)C(C)(C)C[NH+]2CCOCC2)c1F ZINC000414035522 565889649 /nfs/dbraw/zinc/88/96/49/565889649.db2.gz BZJACQJPJZAVNY-UHFFFAOYSA-N 1 2 387.293 3.079 10 0 GGAELO CN(C)c1cc(NC(=O)N[C@@H]2CCOC3(CCC3)C2)[nH+]cc1Br ZINC000333679676 565892759 /nfs/dbraw/zinc/89/27/59/565892759.db2.gz PERCXEANSCELRE-LLVKDONJSA-N 1 2 383.290 3.133 10 0 GGAELO CN(C)c1cc(NC(=O)N2CC[C@@H](C3CCOCC3)C2)[nH+]cc1Br ZINC000333706956 565893816 /nfs/dbraw/zinc/89/38/16/565893816.db2.gz SHMPDYWRIQFJFV-CYBMUJFWSA-N 1 2 397.317 3.191 10 0 GGAELO C[C@H](Cn1cc(Br)ccc1=O)Nc1ccc(N2CCCCC2)c[nH+]1 ZINC000414092322 565894932 /nfs/dbraw/zinc/89/49/32/565894932.db2.gz 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383.311 3.154 10 0 GGAELO C[C@@H](O)[C@H]1C[N@@H+](Cc2cnc(-c3ccc(Br)cc3)s2)CCO1 ZINC000414573223 565949443 /nfs/dbraw/zinc/94/94/43/565949443.db2.gz LWMSFKMUWXLDFP-IAQYHMDHSA-N 1 2 383.311 3.154 10 0 GGAELO Cn1c[nH+]cc1Cc1noc([C@H]2CCOc3ccc(Br)cc32)n1 ZINC000351416252 565954180 /nfs/dbraw/zinc/95/41/80/565954180.db2.gz ABEMGDNPGWYEDJ-LBPRGKRZSA-N 1 2 375.226 3.071 10 0 GGAELO Cc1cn2c([nH+]1)CN(c1cnn(-c3ccc(Cl)cc3)c(=O)c1Cl)CC2 ZINC000359997231 565955051 /nfs/dbraw/zinc/95/50/51/565955051.db2.gz TXTQJCLBLHBJSK-UHFFFAOYSA-N 1 2 376.247 3.064 10 0 GGAELO Cc1ccc(C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)c(Br)c1 ZINC000179069295 565956402 /nfs/dbraw/zinc/95/64/02/565956402.db2.gz KLUGUSCUSGZWBA-OAHLLOKOSA-N 1 2 381.314 3.084 10 0 GGAELO C[C@](CO)([NH2+]Cc1nnc(C2CC2)n1C1CC1)c1ccc(Br)cc1 ZINC000286540782 565965934 /nfs/dbraw/zinc/96/59/34/565965934.db2.gz OFWMCDXWTXBPEH-GOSISDBHSA-N 1 2 391.313 3.250 10 0 GGAELO CCOC(=O)CN(Cc1[nH+]ccn1C)[C@@H](C)c1cccc(Br)c1 ZINC000179310950 565971265 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C[C@H]([NH2+]CC(=O)NC(=O)NCc1ccco1)c1c(Cl)ccc(F)c1Cl ZINC000179540484 565987646 /nfs/dbraw/zinc/98/76/46/565987646.db2.gz ZVCOHYSBCXCIBJ-VIFPVBQESA-N 1 2 388.226 3.402 10 0 GGAELO C[C@H]([NH2+]CC(=O)NC(=O)NCC(F)(F)F)c1c(Cl)ccc(F)c1Cl ZINC000179538126 565988134 /nfs/dbraw/zinc/98/81/34/565988134.db2.gz SYYHUMBDFZWIOA-LURJTMIESA-N 1 2 390.164 3.171 10 0 GGAELO CC[C@@H](C)NC(=O)[C@H](C)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000179552253 565989115 /nfs/dbraw/zinc/98/91/15/565989115.db2.gz AWGGIXWPZNEKMU-CABCVRRESA-N 1 2 386.367 3.457 10 0 GGAELO CC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCN(CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000179552253 565989116 /nfs/dbraw/zinc/98/91/16/565989116.db2.gz AWGGIXWPZNEKMU-CABCVRRESA-N 1 2 386.367 3.457 10 0 GGAELO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1csc(-c2cccc(Br)c2)n1 ZINC000179565746 565990355 /nfs/dbraw/zinc/99/03/55/565990355.db2.gz HDDPUIILPGVQMQ-AWEZNQCLSA-N 1 2 380.311 3.283 10 0 GGAELO CNC(=O)[C@@H]1CCC[N@H+]1Cc1csc(-c2cccc(Br)c2)n1 ZINC000179565746 565990358 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/nfs/dbraw/zinc/52/32/27/566523227.db2.gz UVDBGHZNOXTOKR-UHFFFAOYSA-N 1 2 399.969 3.256 10 0 GGAELO CCc1ccc(C[N@H+]2CCCN(S(=O)(=O)c3ccc(Cl)s3)CC2)nc1 ZINC000559067025 566523236 /nfs/dbraw/zinc/52/32/36/566523236.db2.gz UVDBGHZNOXTOKR-UHFFFAOYSA-N 1 2 399.969 3.256 10 0 GGAELO C[C@H](CS(C)(=O)=O)[N@H+](Cc1cnc(-c2c(F)cccc2F)s1)C1CC1 ZINC000449034977 566523887 /nfs/dbraw/zinc/52/38/87/566523887.db2.gz LVFACSUHTHBNLE-LLVKDONJSA-N 1 2 386.489 3.486 10 0 GGAELO C[C@H](CS(C)(=O)=O)[N@@H+](Cc1cnc(-c2c(F)cccc2F)s1)C1CC1 ZINC000449034977 566523888 /nfs/dbraw/zinc/52/38/88/566523888.db2.gz LVFACSUHTHBNLE-LLVKDONJSA-N 1 2 386.489 3.486 10 0 GGAELO O=C(Cc1cscc1Br)NCC1CC[NH+](CC(F)F)CC1 ZINC000578452654 566524302 /nfs/dbraw/zinc/52/43/02/566524302.db2.gz QZFMFWUZCZQJIP-UHFFFAOYSA-N 1 2 381.286 3.146 10 0 GGAELO COc1nccc(C[N@@H+]2CCC[C@H]2c2ccc(I)cc2)n1 ZINC000449037442 566525869 /nfs/dbraw/zinc/52/58/69/566525869.db2.gz NEMRMYRBLQJVFO-HNNXBMFYSA-N 1 2 395.244 3.427 10 0 GGAELO COc1nccc(C[N@H+]2CCC[C@H]2c2ccc(I)cc2)n1 ZINC000449037442 566525873 /nfs/dbraw/zinc/52/58/73/566525873.db2.gz NEMRMYRBLQJVFO-HNNXBMFYSA-N 1 2 395.244 3.427 10 0 GGAELO Cn1cc[nH+]c1C[C@@H](NC(=O)c1ncsc1Br)c1ccccc1 ZINC000673223694 566528334 /nfs/dbraw/zinc/52/83/34/566528334.db2.gz YRYMJRXQEAAVFJ-GFCCVEGCSA-N 1 2 391.294 3.353 10 0 GGAELO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1Cc1nc2ccc(Br)cc2n1C ZINC000485822938 566529346 /nfs/dbraw/zinc/52/93/46/566529346.db2.gz OHHOLOQEEOGWIB-HNNXBMFYSA-N 1 2 393.329 3.169 10 0 GGAELO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1Cc1nc2ccc(Br)cc2n1C ZINC000485822938 566529352 /nfs/dbraw/zinc/52/93/52/566529352.db2.gz OHHOLOQEEOGWIB-HNNXBMFYSA-N 1 2 393.329 3.169 10 0 GGAELO Cc1cnc(N2CC[NH+](Cc3c(C(C)C)nc4sc(C)nn34)CC2)s1 ZINC000538737396 566532003 /nfs/dbraw/zinc/53/20/03/566532003.db2.gz BCSUKMVRLGDGCE-UHFFFAOYSA-N 1 2 376.555 3.310 10 0 GGAELO O=S(=O)(Cc1cc(Cl)sc1Cl)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000651595428 566539350 /nfs/dbraw/zinc/53/93/50/566539350.db2.gz HLDRYYWUZLGCRR-SECBINFHSA-N 1 2 380.322 3.487 10 0 GGAELO CCOc1c(Br)cc(C[N@@H+]2CCSC[C@H]2CCO)cc1OC ZINC000538811667 566539523 /nfs/dbraw/zinc/53/95/23/566539523.db2.gz AHVJZXZQSZYBJV-CYBMUJFWSA-N 1 2 390.343 3.156 10 0 GGAELO CCOc1c(Br)cc(C[N@H+]2CCSC[C@H]2CCO)cc1OC ZINC000538811667 566539529 /nfs/dbraw/zinc/53/95/29/566539529.db2.gz AHVJZXZQSZYBJV-CYBMUJFWSA-N 1 2 390.343 3.156 10 0 GGAELO COc1c(Br)ccc(C)c1C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000424544663 566539570 /nfs/dbraw/zinc/53/95/70/566539570.db2.gz YZJSPFCOVPJAAQ-UHFFFAOYSA-N 1 2 390.281 3.124 10 0 GGAELO Cc1cn2c([nH+]1)C[C@H](C(=O)NCC(F)(F)c1ccc(Br)cc1)CC2 ZINC000628193907 566539623 /nfs/dbraw/zinc/53/96/23/566539623.db2.gz UQSUOCLVHRIJJM-GFCCVEGCSA-N 1 2 398.251 3.425 10 0 GGAELO Cc1nn2c(C[N@@H+]3CCCC[C@@H]3CCS(C)(=O)=O)c(C(C)C)nc2s1 ZINC000559303629 566541093 /nfs/dbraw/zinc/54/10/93/566541093.db2.gz GQXUBMZHWWCAJP-CQSZACIVSA-N 1 2 384.571 3.012 10 0 GGAELO Cc1nn2c(C[N@H+]3CCCC[C@@H]3CCS(C)(=O)=O)c(C(C)C)nc2s1 ZINC000559303629 566541101 /nfs/dbraw/zinc/54/11/01/566541101.db2.gz GQXUBMZHWWCAJP-CQSZACIVSA-N 1 2 384.571 3.012 10 0 GGAELO O=S(=O)(Cc1cc(Cl)sc1Cl)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000651613751 566541929 /nfs/dbraw/zinc/54/19/29/566541929.db2.gz PPQDMZCSHWMXRL-NSHDSACASA-N 1 2 392.333 3.148 10 0 GGAELO CS(=O)(=O)CC1CC[NH+](Cc2cccc(F)c2OCC(F)(F)F)CC1 ZINC000628292790 566542979 /nfs/dbraw/zinc/54/29/79/566542979.db2.gz UKNJWQJEDZBHAF-UHFFFAOYSA-N 1 2 383.407 3.023 10 0 GGAELO Cn1ncc(Br)c1C[NH2+]Cc1ccncc1OCc1ccccc1 ZINC000512557582 566542993 /nfs/dbraw/zinc/54/29/93/566542993.db2.gz UOJPJFOLIXZJJH-UHFFFAOYSA-N 1 2 387.281 3.446 10 0 GGAELO CS(=O)(=O)[C@@H]1CCCC[N@H+](Cc2cnc(-c3c(F)cccc3F)s2)C1 ZINC000449287704 566543899 /nfs/dbraw/zinc/54/38/99/566543899.db2.gz LBSJDCYNVGJZBR-CYBMUJFWSA-N 1 2 386.489 3.487 10 0 GGAELO CS(=O)(=O)[C@@H]1CCCC[N@@H+](Cc2cnc(-c3c(F)cccc3F)s2)C1 ZINC000449287704 566543907 /nfs/dbraw/zinc/54/39/07/566543907.db2.gz LBSJDCYNVGJZBR-CYBMUJFWSA-N 1 2 386.489 3.487 10 0 GGAELO Cc1cc(C[N@@H+]2C[C@@H](c3ccccc3)[C@](F)(CO)C2)ncc1Br ZINC000628298023 566544219 /nfs/dbraw/zinc/54/42/19/566544219.db2.gz SFOZKBLCVOZBIA-FUHWJXTLSA-N 1 2 379.273 3.453 10 0 GGAELO Cc1cc(C[N@H+]2C[C@@H](c3ccccc3)[C@](F)(CO)C2)ncc1Br ZINC000628298023 566544227 /nfs/dbraw/zinc/54/42/27/566544227.db2.gz SFOZKBLCVOZBIA-FUHWJXTLSA-N 1 2 379.273 3.453 10 0 GGAELO CS(=O)(=O)C[C@H]1CCC[N@H+](Cc2cccc(F)c2OCC(F)(F)F)C1 ZINC000628292961 566544729 /nfs/dbraw/zinc/54/47/29/566544729.db2.gz DKDQMESIMHECGA-LBPRGKRZSA-N 1 2 383.407 3.023 10 0 GGAELO CS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2cccc(F)c2OCC(F)(F)F)C1 ZINC000628292961 566544730 /nfs/dbraw/zinc/54/47/30/566544730.db2.gz DKDQMESIMHECGA-LBPRGKRZSA-N 1 2 383.407 3.023 10 0 GGAELO Cc1cc(C[N@@H+]2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)ncc1Br ZINC000628298025 566544800 /nfs/dbraw/zinc/54/48/00/566544800.db2.gz SFOZKBLCVOZBIA-WMZOPIPTSA-N 1 2 379.273 3.453 10 0 GGAELO Cc1cc(C[N@H+]2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)ncc1Br ZINC000628298025 566544803 /nfs/dbraw/zinc/54/48/03/566544803.db2.gz SFOZKBLCVOZBIA-WMZOPIPTSA-N 1 2 379.273 3.453 10 0 GGAELO Cc1cc(C[N@H+]2CCN(CC(F)(F)F)C[C@H](C)C2)ncc1Br ZINC000628301618 566544830 /nfs/dbraw/zinc/54/48/30/566544830.db2.gz ZWIYQVDNOKUEIC-LLVKDONJSA-N 1 2 380.252 3.469 10 0 GGAELO Cc1cc(C[N@@H+]2CCN(CC(F)(F)F)C[C@H](C)C2)ncc1Br ZINC000628301618 566544834 /nfs/dbraw/zinc/54/48/34/566544834.db2.gz ZWIYQVDNOKUEIC-LLVKDONJSA-N 1 2 380.252 3.469 10 0 GGAELO COc1nccnc1C[NH2+][C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000449277815 566544932 /nfs/dbraw/zinc/54/49/32/566544932.db2.gz GSKGCDNPMNCPLN-CYBMUJFWSA-N 1 2 381.263 3.077 10 0 GGAELO O=C(N1CC[C@@H](Sc2cccc(Cl)c2)C1)C1([NH+]2CCOCC2)CCC1 ZINC000578685097 566545388 /nfs/dbraw/zinc/54/53/88/566545388.db2.gz NFJZXESUHKTBAL-QGZVFWFLSA-N 1 2 380.941 3.288 10 0 GGAELO O=C(Cc1cn2c([nH+]1)CCCC2)N(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000651628627 566545422 /nfs/dbraw/zinc/54/54/22/566545422.db2.gz VVDGXLZXMDOTGX-UHFFFAOYSA-N 1 2 382.291 3.090 10 0 GGAELO O=C(NCC/C=C\c1ccc(Br)cc1)C1([NH+]2CCOCC2)CCC1 ZINC000628334862 566547662 /nfs/dbraw/zinc/54/76/62/566547662.db2.gz ADSMBDFZUCYJBS-RJRFIUFISA-N 1 2 393.325 3.224 10 0 GGAELO Cc1cc(Br)cc2c1CN(C(=O)Cc1cn3c([nH+]1)CCCC3)CC2 ZINC000651657513 566548326 /nfs/dbraw/zinc/54/83/26/566548326.db2.gz JDBFIAAEHVFUEL-UHFFFAOYSA-N 1 2 388.309 3.418 10 0 GGAELO CN(C)[C@H](C(=O)NCC/C=C/c1ccc(Br)cc1)c1c[nH+]cn1C ZINC000628336407 566548997 /nfs/dbraw/zinc/54/89/97/566548997.db2.gz HGTNJTZXXJIDJK-YXMMZVCTSA-N 1 2 391.313 3.005 10 0 GGAELO C[C@@H](Cc1ccccc1Br)NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000538952341 566549524 /nfs/dbraw/zinc/54/95/24/566549524.db2.gz JBLGQTPNWQELIV-ZDUSSCGKSA-N 1 2 385.265 3.391 10 0 GGAELO OCC1([C@H]([NH2+]Cc2ncc(Br)cc2F)c2ccncc2)CCC1 ZINC000628353530 566550889 /nfs/dbraw/zinc/55/08/89/566550889.db2.gz ZARCQFZVUIKQJA-MRXNPFEDSA-N 1 2 380.261 3.372 10 0 GGAELO Cc1cccc(Cl)c1CC(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000486050426 566552242 /nfs/dbraw/zinc/55/22/42/566552242.db2.gz CPUZWDDFTWDRME-KRWDZBQOSA-N 1 2 378.925 3.442 10 0 GGAELO O=C(Cc1noc2ccc(Br)cc12)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000424652166 566553388 /nfs/dbraw/zinc/55/33/88/566553388.db2.gz ZYOYTURYASRAMJ-NSHDSACASA-N 1 2 389.253 3.262 10 0 GGAELO O=C(Cc1noc2ccc(Br)cc12)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000424652165 566553435 /nfs/dbraw/zinc/55/34/35/566553435.db2.gz ZYOYTURYASRAMJ-LLVKDONJSA-N 1 2 389.253 3.262 10 0 GGAELO CN1CC[C@H]([N@H+](C)Cc2cnc(-c3ccc(Br)cc3)s2)C1=O ZINC000578798647 566554248 /nfs/dbraw/zinc/55/42/48/566554248.db2.gz ZPCCBYJEDWTZOS-AWEZNQCLSA-N 1 2 380.311 3.235 10 0 GGAELO CN1CC[C@H]([N@@H+](C)Cc2cnc(-c3ccc(Br)cc3)s2)C1=O ZINC000578798647 566554252 /nfs/dbraw/zinc/55/42/52/566554252.db2.gz ZPCCBYJEDWTZOS-AWEZNQCLSA-N 1 2 380.311 3.235 10 0 GGAELO Cc1cccn2cc(CCNC(=O)c3[nH]nc4ccc(Br)cc43)[nH+]c12 ZINC000673747169 566554667 /nfs/dbraw/zinc/55/46/67/566554667.db2.gz PHMNSQJJRZTDQT-UHFFFAOYSA-N 1 2 398.264 3.254 10 0 GGAELO COCCCn1nccc1C[NH+]1CC(Cc2ccccc2Br)C1 ZINC000628477915 566559547 /nfs/dbraw/zinc/55/95/47/566559547.db2.gz LSPHWXGBHHKZOX-UHFFFAOYSA-N 1 2 378.314 3.357 10 0 GGAELO OC[C@@]1(F)C[N@H+](Cc2cc(O)ccc2Br)C[C@H]1c1ccccc1 ZINC000449420875 566560676 /nfs/dbraw/zinc/56/06/76/566560676.db2.gz KINPUFDWETWRDP-WMZOPIPTSA-N 1 2 380.257 3.455 10 0 GGAELO OC[C@@]1(F)C[N@@H+](Cc2cc(O)ccc2Br)C[C@H]1c1ccccc1 ZINC000449420875 566560678 /nfs/dbraw/zinc/56/06/78/566560678.db2.gz KINPUFDWETWRDP-WMZOPIPTSA-N 1 2 380.257 3.455 10 0 GGAELO CNS(=O)(=O)C[C@H]1CCC[N@H+](Cc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000628495796 566561532 /nfs/dbraw/zinc/56/15/32/566561532.db2.gz AJBCZZGPKJPLHL-NSHDSACASA-N 1 2 384.851 3.120 10 0 GGAELO CNS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000628495796 566561536 /nfs/dbraw/zinc/56/15/36/566561536.db2.gz AJBCZZGPKJPLHL-NSHDSACASA-N 1 2 384.851 3.120 10 0 GGAELO COC[C@@]1(C)C[N@H+](Cc2cn(-c3cccc(Br)c3)nc2C)CCO1 ZINC000628497549 566562325 /nfs/dbraw/zinc/56/23/25/566562325.db2.gz QIJZUUIRUCRXPG-GOSISDBHSA-N 1 2 394.313 3.181 10 0 GGAELO COC[C@@]1(C)C[N@@H+](Cc2cn(-c3cccc(Br)c3)nc2C)CCO1 ZINC000628497549 566562330 /nfs/dbraw/zinc/56/23/30/566562330.db2.gz QIJZUUIRUCRXPG-GOSISDBHSA-N 1 2 394.313 3.181 10 0 GGAELO COC[C@]1(C)C[N@H+](Cc2cn(-c3cccc(Br)c3)nc2C)CCO1 ZINC000628497550 566562759 /nfs/dbraw/zinc/56/27/59/566562759.db2.gz QIJZUUIRUCRXPG-SFHVURJKSA-N 1 2 394.313 3.181 10 0 GGAELO COC[C@]1(C)C[N@@H+](Cc2cn(-c3cccc(Br)c3)nc2C)CCO1 ZINC000628497550 566562766 /nfs/dbraw/zinc/56/27/66/566562766.db2.gz QIJZUUIRUCRXPG-SFHVURJKSA-N 1 2 394.313 3.181 10 0 GGAELO COC(=O)[C@@H]1Cc2c(Br)cccc2C[N@@H+]1C[C@H]1CCO[C@@H](C)C1 ZINC000449428579 566562851 /nfs/dbraw/zinc/56/28/51/566562851.db2.gz VIPFCGQIORZBFE-DCGLDWPTSA-N 1 2 382.298 3.164 10 0 GGAELO COC(=O)[C@@H]1Cc2c(Br)cccc2C[N@H+]1C[C@H]1CCO[C@@H](C)C1 ZINC000449428579 566562857 /nfs/dbraw/zinc/56/28/57/566562857.db2.gz VIPFCGQIORZBFE-DCGLDWPTSA-N 1 2 382.298 3.164 10 0 GGAELO Cn1ncc(Br)c1C[NH2+][C@@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000449438851 566562931 /nfs/dbraw/zinc/56/29/31/566562931.db2.gz RKVRTDGJLPKEGJ-ZDUSSCGKSA-N 1 2 392.219 3.415 10 0 GGAELO O[C@@]1(C(F)F)CC[N@H+](Cc2ccc(I)cc2Cl)C1 ZINC000449469471 566566338 /nfs/dbraw/zinc/56/63/38/566566338.db2.gz MPTYFJKSETXVOQ-LBPRGKRZSA-N 1 2 387.595 3.147 10 0 GGAELO O[C@@]1(C(F)F)CC[N@@H+](Cc2ccc(I)cc2Cl)C1 ZINC000449469471 566566341 /nfs/dbraw/zinc/56/63/41/566566341.db2.gz MPTYFJKSETXVOQ-LBPRGKRZSA-N 1 2 387.595 3.147 10 0 GGAELO COc1cc(Br)ccc1C[NH2+]Cc1nn(C)cc1Br ZINC000449482597 566568010 /nfs/dbraw/zinc/56/80/10/566568010.db2.gz CHYIRQFXHFJMBB-UHFFFAOYSA-N 1 2 389.091 3.244 10 0 GGAELO C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]Cc1nn(C)cc1Br ZINC000449482510 566568367 /nfs/dbraw/zinc/56/83/67/566568367.db2.gz BXUMSQDKQBWNKF-SNVBAGLBSA-N 1 2 385.693 3.343 10 0 GGAELO Cc1cccc(NC(=O)C[C@H](C)[NH2+]Cc2nn(C)cc2Br)c1C ZINC000449487401 566568840 /nfs/dbraw/zinc/56/88/40/566568840.db2.gz XSCMJYFWGMITPK-LBPRGKRZSA-N 1 2 379.302 3.306 10 0 GGAELO COc1sc(C[NH2+]Cc2nn(C)cc2Br)cc1Br ZINC000449483526 566570084 /nfs/dbraw/zinc/57/00/84/566570084.db2.gz JGBNVUUBLXGYCO-UHFFFAOYSA-N 1 2 395.120 3.305 10 0 GGAELO CCc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)c2[nH+]ccn2C)s1 ZINC000651874958 566571633 /nfs/dbraw/zinc/57/16/33/566571633.db2.gz NUVMIWUASVAIFA-INIZCTEOSA-N 1 2 375.519 3.306 10 0 GGAELO C[C@@H]([NH2+][C@@H](C)c1cccc(NS(C)(=O)=O)c1)c1ncc(Br)cn1 ZINC000559861690 566573166 /nfs/dbraw/zinc/57/31/66/566573166.db2.gz CJXUEOAMNLRRQX-WDEREUQCSA-N 1 2 399.314 3.022 10 0 GGAELO COc1ccc(Br)c(CN(C)C(=O)Cc2cn3c([nH+]2)CCCC3)c1 ZINC000651889184 566573388 /nfs/dbraw/zinc/57/33/88/566573388.db2.gz LHOMYKHTJQLJIV-UHFFFAOYSA-N 1 2 392.297 3.192 10 0 GGAELO COc1cc(Br)ccc1[C@@H]1CCCN1C(=O)Cc1c[nH+]cn1C ZINC000628676166 566574409 /nfs/dbraw/zinc/57/44/09/566574409.db2.gz JETVEACLGDMAHY-HNNXBMFYSA-N 1 2 378.270 3.097 10 0 GGAELO COc1cc(Br)ccc1[C@@H]1CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000628675314 566574770 /nfs/dbraw/zinc/57/47/70/566574770.db2.gz BJIRZQYCWZUYSM-HNNXBMFYSA-N 1 2 378.270 3.477 10 0 GGAELO COc1cc(Br)ccc1[C@@H]1CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000628675314 566574775 /nfs/dbraw/zinc/57/47/75/566574775.db2.gz BJIRZQYCWZUYSM-HNNXBMFYSA-N 1 2 378.270 3.477 10 0 GGAELO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)c1cnc(OC)c(Br)c1 ZINC000424822012 566575350 /nfs/dbraw/zinc/57/53/50/566575350.db2.gz AHJPQRPFAHKRNQ-CQSZACIVSA-N 1 2 393.285 3.437 10 0 GGAELO COc1cc(Br)ccc1[C@@H]1CCCN1C(=O)CCn1cc[nH+]c1 ZINC000628676902 566576003 /nfs/dbraw/zinc/57/60/03/566576003.db2.gz ONGQKCZHDGHTBU-HNNXBMFYSA-N 1 2 378.270 3.408 10 0 GGAELO Fc1ccc([C@H]([NH2+]CCOc2cccc(Br)c2)c2cnn[nH]2)cc1 ZINC000559915600 566576495 /nfs/dbraw/zinc/57/64/95/566576495.db2.gz HAQREFADDMILIS-KRWDZBQOSA-N 1 2 391.244 3.464 10 0 GGAELO Fc1ccc([C@H]([NH2+]CCOc2cccc(Br)c2)c2cn[nH]n2)cc1 ZINC000559915600 566576499 /nfs/dbraw/zinc/57/64/99/566576499.db2.gz HAQREFADDMILIS-KRWDZBQOSA-N 1 2 391.244 3.464 10 0 GGAELO CCc1cnc(C[N@H+](Cc2cc(C)c(C)c(S(N)(=O)=O)c2)C2CC2)s1 ZINC000651938235 566577673 /nfs/dbraw/zinc/57/76/73/566577673.db2.gz 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1 2 390.281 3.237 10 0 GGAELO CSCC1CCC(NS(=O)(=O)c2ccccc2Cn2cc[nH+]c2)CC1 ZINC000560320108 566617506 /nfs/dbraw/zinc/61/75/06/566617506.db2.gz OWSGYJKPHKFJJE-UHFFFAOYSA-N 1 2 379.551 3.132 10 0 GGAELO COc1cc(Br)ccc1CNC(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000652553346 566617720 /nfs/dbraw/zinc/61/77/20/566617720.db2.gz ADNTYKSRJMUVFB-ZWNOBZJWSA-N 1 2 379.258 3.159 10 0 GGAELO O=C(NCC[NH+]1CCN(c2ccccc2)CC1)c1ccsc1Br ZINC000579554282 566618659 /nfs/dbraw/zinc/61/86/59/566618659.db2.gz AVALIJDUBWOCJW-UHFFFAOYSA-N 1 2 394.338 3.063 10 0 GGAELO O=C1CC[N@H+](Cc2cc(Br)ccc2OCc2ccccc2)CCN1 ZINC000513714070 566619540 /nfs/dbraw/zinc/61/95/40/566619540.db2.gz XTGDCDZJJPGMTA-UHFFFAOYSA-N 1 2 389.293 3.350 10 0 GGAELO O=C1CC[N@@H+](Cc2cc(Br)ccc2OCc2ccccc2)CCN1 ZINC000513714070 566619544 /nfs/dbraw/zinc/61/95/44/566619544.db2.gz XTGDCDZJJPGMTA-UHFFFAOYSA-N 1 2 389.293 3.350 10 0 GGAELO Cc1cnc(NCc2[nH+]ccn2CC(F)(F)F)c(I)c1 ZINC000425234377 566620022 /nfs/dbraw/zinc/62/00/22/566620022.db2.gz ZANDOQSCUVIRFY-UHFFFAOYSA-N 1 2 396.154 3.366 10 0 GGAELO O=C(CN1CCC[N@@H+](CCc2cc(Cl)ccc2Cl)CC1)N1CCCC1 ZINC000486801491 566624138 /nfs/dbraw/zinc/62/41/38/566624138.db2.gz ULRJPEGPNVQILK-UHFFFAOYSA-N 1 2 384.351 3.166 10 0 GGAELO O=C(CN1CCC[N@H+](CCc2cc(Cl)ccc2Cl)CC1)N1CCCC1 ZINC000486801491 566624147 /nfs/dbraw/zinc/62/41/47/566624147.db2.gz ULRJPEGPNVQILK-UHFFFAOYSA-N 1 2 384.351 3.166 10 0 GGAELO CCN(CC)C(=O)CN1CCC[N@H+](CCc2cc(Cl)ccc2Cl)CC1 ZINC000486798151 566624328 /nfs/dbraw/zinc/62/43/28/566624328.db2.gz KGKBSERZZHOUGA-UHFFFAOYSA-N 1 2 386.367 3.412 10 0 GGAELO CCN(CC)C(=O)CN1CCC[N@@H+](CCc2cc(Cl)ccc2Cl)CC1 ZINC000486798151 566624335 /nfs/dbraw/zinc/62/43/35/566624335.db2.gz KGKBSERZZHOUGA-UHFFFAOYSA-N 1 2 386.367 3.412 10 0 GGAELO C[C@H]1CN(C(=O)N=c2nc(-c3ccsc3)[nH]s2)CC[N@@H+](C2CCC2)C1 ZINC000560424299 566624973 /nfs/dbraw/zinc/62/49/73/566624973.db2.gz HPRCGMHCEFXVSZ-GFCCVEGCSA-N 1 2 377.539 3.027 10 0 GGAELO C[C@H]1CN(C(=O)N=c2nc(-c3ccsc3)[nH]s2)CC[N@H+](C2CCC2)C1 ZINC000560424299 566624980 /nfs/dbraw/zinc/62/49/80/566624980.db2.gz HPRCGMHCEFXVSZ-GFCCVEGCSA-N 1 2 377.539 3.027 10 0 GGAELO COCc1cnc(CN[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)s1 ZINC000540067831 566625794 /nfs/dbraw/zinc/62/57/94/566625794.db2.gz YNTBDMYIIPFWNY-FUHWJXTLSA-N 1 2 381.929 3.104 10 0 GGAELO COCc1cnc(CN[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)s1 ZINC000540067831 566625801 /nfs/dbraw/zinc/62/58/01/566625801.db2.gz YNTBDMYIIPFWNY-FUHWJXTLSA-N 1 2 381.929 3.104 10 0 GGAELO COc1cc(Br)ccc1[C@@H](C)NC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000579657984 566626752 /nfs/dbraw/zinc/62/67/52/566626752.db2.gz RPUKVLHPCBLJIP-PWSUYJOCSA-N 1 2 393.285 3.099 10 0 GGAELO COc1cc(Br)ccc1[C@@H](C)NC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000579657984 566626762 /nfs/dbraw/zinc/62/67/62/566626762.db2.gz RPUKVLHPCBLJIP-PWSUYJOCSA-N 1 2 393.285 3.099 10 0 GGAELO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1Cc1cc2c(c(Br)c1)OCO2 ZINC000513820999 566627460 /nfs/dbraw/zinc/62/74/60/566627460.db2.gz ZZQGMXBQQGVUCC-CQSZACIVSA-N 1 2 383.286 3.011 10 0 GGAELO CCN(CC)C(=O)[C@H]1CCC[N@H+]1Cc1cc2c(c(Br)c1)OCO2 ZINC000513820999 566627468 /nfs/dbraw/zinc/62/74/68/566627468.db2.gz ZZQGMXBQQGVUCC-CQSZACIVSA-N 1 2 383.286 3.011 10 0 GGAELO COc1cc(Br)ccc1[C@H](C)NC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000579657981 566627660 /nfs/dbraw/zinc/62/76/60/566627660.db2.gz RPUKVLHPCBLJIP-CMPLNLGQSA-N 1 2 393.285 3.099 10 0 GGAELO COc1cc(Br)ccc1[C@H](C)NC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000579657981 566627667 /nfs/dbraw/zinc/62/76/67/566627667.db2.gz RPUKVLHPCBLJIP-CMPLNLGQSA-N 1 2 393.285 3.099 10 0 GGAELO O=C(CSCc1ccc(Br)cc1F)N1CCn2c[nH+]cc2C1 ZINC000579659227 566627936 /nfs/dbraw/zinc/62/79/36/566627936.db2.gz USRIJNAWBCAURW-UHFFFAOYSA-N 1 2 384.274 3.060 10 0 GGAELO C[C@@H]1C[C@@H](c2ccc(Br)cc2)CN1C(=O)C(C)(C)[NH+]1CCOCC1 ZINC000629248715 566628263 /nfs/dbraw/zinc/62/82/63/566628263.db2.gz ZCYRMYIZKCWCNC-GDBMZVCRSA-N 1 2 395.341 3.264 10 0 GGAELO CCc1ccc(C[NH+]2CCN(C(=O)Cn3nc(C)c(Cl)c3C)CC2)s1 ZINC000606395778 566629195 /nfs/dbraw/zinc/62/91/95/566629195.db2.gz OYKVLQHKUYSGGT-UHFFFAOYSA-N 1 2 380.945 3.122 10 0 GGAELO O=C(NCCCCn1cc[nH+]c1)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000606371788 566629458 /nfs/dbraw/zinc/62/94/58/566629458.db2.gz WOWZUXVKGJTFOS-UHFFFAOYSA-N 1 2 389.253 3.110 10 0 GGAELO CC(C)n1c[nH+]cc1CN1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000425328448 566630709 /nfs/dbraw/zinc/63/07/09/566630709.db2.gz RHTHDKGJNQPRCD-UHFFFAOYSA-N 1 2 391.313 3.185 10 0 GGAELO COC(=O)[C@H]1Cc2c(Br)cccc2CN1Cc1c[nH+]cn1C(C)C ZINC000425340550 566632723 /nfs/dbraw/zinc/63/27/23/566632723.db2.gz AWKFDFAIMGBEEX-QGZVFWFLSA-N 1 2 392.297 3.326 10 0 GGAELO CCc1ccc(C[NH+]2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)s1 ZINC000606462453 566633010 /nfs/dbraw/zinc/63/30/10/566633010.db2.gz VVNATMQXPIMWGY-UHFFFAOYSA-N 1 2 384.954 3.470 10 0 GGAELO CCOC(=O)C[N@H+](C[C@@H](O)COc1ccc(Cl)cc1Cl)C1CCC1 ZINC000467193156 566633587 /nfs/dbraw/zinc/63/35/87/566633587.db2.gz ZYJXWOFCVJAYOZ-CQSZACIVSA-N 1 2 376.280 3.151 10 0 GGAELO CCOC(=O)C[N@@H+](C[C@@H](O)COc1ccc(Cl)cc1Cl)C1CCC1 ZINC000467193156 566633590 /nfs/dbraw/zinc/63/35/90/566633590.db2.gz ZYJXWOFCVJAYOZ-CQSZACIVSA-N 1 2 376.280 3.151 10 0 GGAELO COC(=O)[C@H]([NH2+][C@H]1C[C@@H]2C[C@H](OC)C[C@@H]2C1)c1ccc(Br)cc1 ZINC000425338755 566633646 /nfs/dbraw/zinc/63/36/46/566633646.db2.gz QAPDCSHUYUSHLQ-NOYHWAJDSA-N 1 2 382.298 3.456 10 0 GGAELO Cc1[nH]c2ccc(Cn3nnc(Cc4ccccc4Br)n3)cc2[nH+]1 ZINC000467206560 566633902 /nfs/dbraw/zinc/63/39/02/566633902.db2.gz LHVGEVVPLRYMTN-UHFFFAOYSA-N 1 2 383.253 3.259 10 0 GGAELO Cc1[nH]c2cc(Cn3nnc(Cc4ccccc4Br)n3)ccc2[nH+]1 ZINC000467206560 566633906 /nfs/dbraw/zinc/63/39/06/566633906.db2.gz LHVGEVVPLRYMTN-UHFFFAOYSA-N 1 2 383.253 3.259 10 0 GGAELO Cc1[nH]c2ccc(Cn3ncc(Br)c(Br)c3=O)cc2[nH+]1 ZINC000467209255 566633940 /nfs/dbraw/zinc/63/39/40/566633940.db2.gz ZDGJHYILJUXYLR-UHFFFAOYSA-N 1 2 398.058 3.001 10 0 GGAELO Cc1[nH]c2cc(Cn3ncc(Br)c(Br)c3=O)ccc2[nH+]1 ZINC000467209255 566633946 /nfs/dbraw/zinc/63/39/46/566633946.db2.gz ZDGJHYILJUXYLR-UHFFFAOYSA-N 1 2 398.058 3.001 10 0 GGAELO COC(=O)c1ccc(Br)cc1CN1CC[NH+](Cc2ccco2)CC1 ZINC000513959822 566633889 /nfs/dbraw/zinc/63/38/89/566633889.db2.gz UPPHDAKXHUMJNR-UHFFFAOYSA-N 1 2 393.281 3.147 10 0 GGAELO CCC[N@H+](CCCCS(C)(=O)=O)Cc1nnc(-c2ccccc2Cl)o1 ZINC000675296676 566635624 /nfs/dbraw/zinc/63/56/24/566635624.db2.gz OGCOBIYIOVNYRR-UHFFFAOYSA-N 1 2 385.917 3.427 10 0 GGAELO CCC[N@@H+](CCCCS(C)(=O)=O)Cc1nnc(-c2ccccc2Cl)o1 ZINC000675296676 566635628 /nfs/dbraw/zinc/63/56/28/566635628.db2.gz OGCOBIYIOVNYRR-UHFFFAOYSA-N 1 2 385.917 3.427 10 0 GGAELO COc1ccc(C[NH2+][C@@H](C)c2ncc(Br)cn2)c(OC)c1OC ZINC000560564569 566636872 /nfs/dbraw/zinc/63/68/72/566636872.db2.gz MLPMJUWBPKLLIY-JTQLQIEISA-N 1 2 382.258 3.116 10 0 GGAELO CN(C)S(=O)(=O)c1ccc(C[N@H+]2CC=C(c3ccc(F)cc3)CC2)s1 ZINC000425384517 566636907 /nfs/dbraw/zinc/63/69/07/566636907.db2.gz NQGHJGJNEPGGRF-UHFFFAOYSA-N 1 2 380.510 3.427 10 0 GGAELO CN(C)S(=O)(=O)c1ccc(C[N@@H+]2CC=C(c3ccc(F)cc3)CC2)s1 ZINC000425384517 566636912 /nfs/dbraw/zinc/63/69/12/566636912.db2.gz NQGHJGJNEPGGRF-UHFFFAOYSA-N 1 2 380.510 3.427 10 0 GGAELO COc1cccc([C@@H]2CCC[N@@H+]2Cc2ccc(S(=O)(=O)N(C)C)s2)c1 ZINC000425380865 566637117 /nfs/dbraw/zinc/63/71/17/566637117.db2.gz FYFNSBGNOIKOOS-KRWDZBQOSA-N 1 2 380.535 3.344 10 0 GGAELO COc1cccc([C@@H]2CCC[N@H+]2Cc2ccc(S(=O)(=O)N(C)C)s2)c1 ZINC000425380865 566637120 /nfs/dbraw/zinc/63/71/20/566637120.db2.gz FYFNSBGNOIKOOS-KRWDZBQOSA-N 1 2 380.535 3.344 10 0 GGAELO COc1cccc([C@H]2CCC[N@@H+]2Cc2ccc(S(=O)(=O)N(C)C)s2)c1 ZINC000425380867 566637150 /nfs/dbraw/zinc/63/71/50/566637150.db2.gz FYFNSBGNOIKOOS-QGZVFWFLSA-N 1 2 380.535 3.344 10 0 GGAELO COc1cccc([C@H]2CCC[N@H+]2Cc2ccc(S(=O)(=O)N(C)C)s2)c1 ZINC000425380867 566637154 /nfs/dbraw/zinc/63/71/54/566637154.db2.gz FYFNSBGNOIKOOS-QGZVFWFLSA-N 1 2 380.535 3.344 10 0 GGAELO COc1cc2c(cc1C[NH2+][C@@H](C)c1ncc(Br)cn1)O[C@@H](C)C2 ZINC000560563098 566637555 /nfs/dbraw/zinc/63/75/55/566637555.db2.gz WGIPAWORWJWIKP-QWRGUYRKSA-N 1 2 378.270 3.422 10 0 GGAELO CC(C)[C@H]([NH2+]Cc1c(Br)cnn1C)c1nc(-c2cccnc2)no1 ZINC000486957804 566637828 /nfs/dbraw/zinc/63/78/28/566637828.db2.gz QCWIRZVWGCBNRE-AWEZNQCLSA-N 1 2 391.273 3.115 10 0 GGAELO COc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(S(=O)(=O)N(C)C)s2)cc1 ZINC000425379039 566638115 /nfs/dbraw/zinc/63/81/15/566638115.db2.gz AIIAQDRCJHOASF-QGZVFWFLSA-N 1 2 380.535 3.344 10 0 GGAELO COc1ccc([C@H]2CCC[N@H+]2Cc2ccc(S(=O)(=O)N(C)C)s2)cc1 ZINC000425379039 566638121 /nfs/dbraw/zinc/63/81/21/566638121.db2.gz AIIAQDRCJHOASF-QGZVFWFLSA-N 1 2 380.535 3.344 10 0 GGAELO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1cc(OC)c(OC)cc1Br ZINC000467291965 566638223 /nfs/dbraw/zinc/63/82/23/566638223.db2.gz QTBOWJJUESYLKI-ZUCKAHLUSA-N 1 2 398.297 3.240 10 0 GGAELO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1cc(OC)c(OC)cc1Br ZINC000467291965 566638229 /nfs/dbraw/zinc/63/82/29/566638229.db2.gz QTBOWJJUESYLKI-ZUCKAHLUSA-N 1 2 398.297 3.240 10 0 GGAELO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1nc2ccc(Br)cc2n1C ZINC000467297199 566638580 /nfs/dbraw/zinc/63/85/80/566638580.db2.gz DQHGPTMRJHQRJF-ZUCKAHLUSA-N 1 2 392.297 3.109 10 0 GGAELO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1nc2ccc(Br)cc2n1C ZINC000467297199 566638584 /nfs/dbraw/zinc/63/85/84/566638584.db2.gz DQHGPTMRJHQRJF-ZUCKAHLUSA-N 1 2 392.297 3.109 10 0 GGAELO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1nc2ccc(Br)cc2n1C ZINC000467297198 566638634 /nfs/dbraw/zinc/63/86/34/566638634.db2.gz DQHGPTMRJHQRJF-PPHDSNJXSA-N 1 2 392.297 3.109 10 0 GGAELO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1Cc1nc2ccc(Br)cc2n1C ZINC000467297198 566638638 /nfs/dbraw/zinc/63/86/38/566638638.db2.gz DQHGPTMRJHQRJF-PPHDSNJXSA-N 1 2 392.297 3.109 10 0 GGAELO O=C(NCCC1(CO)CCC1)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000652933843 566639747 /nfs/dbraw/zinc/63/97/47/566639747.db2.gz HVINORULZPSSLV-QGZVFWFLSA-N 1 2 395.341 3.255 10 0 GGAELO COc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(I)cc2)nn1 ZINC000514087216 566641280 /nfs/dbraw/zinc/64/12/80/566641280.db2.gz AVVSEDLTHSNHON-OAHLLOKOSA-N 1 2 395.244 3.427 10 0 GGAELO COc1ccc(C[N@H+]2CCC[C@@H]2c2ccc(I)cc2)nn1 ZINC000514087216 566641284 /nfs/dbraw/zinc/64/12/84/566641284.db2.gz AVVSEDLTHSNHON-OAHLLOKOSA-N 1 2 395.244 3.427 10 0 GGAELO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1ccsc1Br ZINC000450170336 566641628 /nfs/dbraw/zinc/64/16/28/566641628.db2.gz DBGORZGUPNERSK-UHFFFAOYSA-N 1 2 382.283 3.303 10 0 GGAELO COC(=O)c1ccc(Br)cc1C[N@@H+]1CCC[C@H](c2nnc(C)[nH]2)C1 ZINC000514092477 566641818 /nfs/dbraw/zinc/64/18/18/566641818.db2.gz AHRYPXYBOKEUCH-LBPRGKRZSA-N 1 2 393.285 3.042 10 0 GGAELO COC(=O)c1ccc(Br)cc1C[N@H+]1CCC[C@H](c2nnc(C)[nH]2)C1 ZINC000514092477 566641823 /nfs/dbraw/zinc/64/18/23/566641823.db2.gz AHRYPXYBOKEUCH-LBPRGKRZSA-N 1 2 393.285 3.042 10 0 GGAELO COC(=O)c1ccc(Br)cc1C[N@@H+]1CCC[C@H](c2nc(C)n[nH]2)C1 ZINC000514092477 566641826 /nfs/dbraw/zinc/64/18/26/566641826.db2.gz AHRYPXYBOKEUCH-LBPRGKRZSA-N 1 2 393.285 3.042 10 0 GGAELO COC(=O)c1ccc(Br)cc1C[N@H+]1CCC[C@H](c2nc(C)n[nH]2)C1 ZINC000514092477 566641830 /nfs/dbraw/zinc/64/18/30/566641830.db2.gz AHRYPXYBOKEUCH-LBPRGKRZSA-N 1 2 393.285 3.042 10 0 GGAELO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1cc(Br)cc2c1OCC2 ZINC000467371052 566642406 /nfs/dbraw/zinc/64/24/06/566642406.db2.gz SJIMWBZTBNSYQU-KCXAZCMYSA-N 1 2 380.282 3.158 10 0 GGAELO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1cc(Br)cc2c1OCC2 ZINC000467371052 566642409 /nfs/dbraw/zinc/64/24/09/566642409.db2.gz SJIMWBZTBNSYQU-KCXAZCMYSA-N 1 2 380.282 3.158 10 0 GGAELO CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc2[nH+]ccn2c1 ZINC000606752359 566642733 /nfs/dbraw/zinc/64/27/33/566642733.db2.gz MIKQJVBNSSUGLH-UHFFFAOYSA-N 1 2 396.266 3.296 10 0 GGAELO COCc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(S(=O)(=O)N(C)C)s2)o1 ZINC000425435700 566643770 /nfs/dbraw/zinc/64/37/70/566643770.db2.gz UCRYTXJENOKJPT-HNNXBMFYSA-N 1 2 384.523 3.075 10 0 GGAELO COCc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(S(=O)(=O)N(C)C)s2)o1 ZINC000425435700 566643774 /nfs/dbraw/zinc/64/37/74/566643774.db2.gz UCRYTXJENOKJPT-HNNXBMFYSA-N 1 2 384.523 3.075 10 0 GGAELO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1c[nH+]c2c(C)cc(Br)cn12 ZINC000467389126 566643850 /nfs/dbraw/zinc/64/38/50/566643850.db2.gz PDAIOIDBESYUDB-MAZHCROVSA-N 1 2 392.297 3.179 10 0 GGAELO O=C(CCc1cccc(F)c1Br)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000450210402 566644067 /nfs/dbraw/zinc/64/40/67/566644067.db2.gz HFJLQJIGHASKIG-AWEZNQCLSA-N 1 2 392.272 3.311 10 0 GGAELO Cc1c([NH+]=C([O-])Nc2cc[nH+]c(C)c2Br)cnn1C1CCOCC1 ZINC000653005915 566644612 /nfs/dbraw/zinc/64/46/12/566644612.db2.gz MSGNGFRKDBPDOC-UHFFFAOYSA-N 1 2 394.273 3.075 10 0 GGAELO CN(C)S(=O)(=O)c1ccc(C[NH2+]C2(c3ccc(F)cc3F)CCC2)s1 ZINC000425456693 566645426 /nfs/dbraw/zinc/64/54/26/566645426.db2.gz JXBASKJQSLQDKG-UHFFFAOYSA-N 1 2 386.489 3.446 10 0 GGAELO CC(C)COC[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)s1)c1ccco1 ZINC000425454272 566645538 /nfs/dbraw/zinc/64/55/38/566645538.db2.gz GHIGSRHOQQZUIQ-OAHLLOKOSA-N 1 2 386.539 3.095 10 0 GGAELO CN(C)S(=O)(=O)c1ccc(C[N@H+](C)Cc2cc(F)c(F)c(F)c2)s1 ZINC000425459311 566645638 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C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1ccc2scc(Br)c2c1 ZINC000451283793 566788337 /nfs/dbraw/zinc/78/83/37/566788337.db2.gz IVKGUGJORJZFKW-LBPRGKRZSA-N 1 2 397.338 3.457 10 0 GGAELO Cn1ncc(Br)c1C[NH2+][C@@H](CCO)c1ccc(Cl)c(F)c1 ZINC000631189614 566789063 /nfs/dbraw/zinc/78/90/63/566789063.db2.gz CULFFETUMLVBOG-ZDUSSCGKSA-N 1 2 376.657 3.188 10 0 GGAELO NS(=O)(=O)c1cc(C[NH2+]C2(c3c(F)cccc3F)CCC2)ccc1Cl ZINC000631185011 566789545 /nfs/dbraw/zinc/78/95/45/566789545.db2.gz HGNPVHDIPXTNLV-UHFFFAOYSA-N 1 2 386.851 3.435 10 0 GGAELO Clc1ccc(Br)c(C[NH2+]Cc2nnc(C3CCOCC3)[nH]2)c1 ZINC000631214309 566790857 /nfs/dbraw/zinc/79/08/57/566790857.db2.gz UONMFGAUVKGENC-UHFFFAOYSA-N 1 2 385.693 3.404 10 0 GGAELO CS(=O)(=O)Nc1cccc(C[N@@H+]2CCc3cccc(Br)c3C2)c1 ZINC000678271107 566791095 /nfs/dbraw/zinc/79/10/95/566791095.db2.gz ZRQUEKCXOAYJGU-UHFFFAOYSA-N 1 2 395.322 3.379 10 0 GGAELO CS(=O)(=O)Nc1cccc(C[N@H+]2CCc3cccc(Br)c3C2)c1 ZINC000678271107 566791098 /nfs/dbraw/zinc/79/10/98/566791098.db2.gz 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381.299 3.312 10 0 GGAELO CC(C)Cn1cc[nH+]c1CNS(=O)(=O)c1cccc2c(Cl)ccnc21 ZINC000451371412 566805541 /nfs/dbraw/zinc/80/55/41/566805541.db2.gz DTIRDLTZJCUHSY-UHFFFAOYSA-N 1 2 378.885 3.219 10 0 GGAELO O=[S@](CC[NH+]1CCN(Cc2ccc(F)cc2Cl)CC1)c1ccccc1 ZINC000517094238 566805772 /nfs/dbraw/zinc/80/57/72/566805772.db2.gz QUEKKLFJDRLPLS-RUZDIDTESA-N 1 2 380.916 3.405 10 0 GGAELO OCCC1(CCO)CCN(c2cc[nH+]c3c(Br)ccc(F)c23)CC1 ZINC000631474556 566806030 /nfs/dbraw/zinc/80/60/30/566806030.db2.gz LGCSJQXPZPAKQO-UHFFFAOYSA-N 1 2 397.288 3.488 10 0 GGAELO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)Nc1cc(Cl)cc(Cl)c1)C2 ZINC000631526938 566807646 /nfs/dbraw/zinc/80/76/46/566807646.db2.gz AAHVLBPDPNWGMS-ZDUSSCGKSA-N 1 2 383.279 3.170 10 0 GGAELO CC(C)(C(=O)Nc1nccn1Cc1ccc(Br)cc1)c1c[nH+]c[nH]1 ZINC000469701106 566807862 /nfs/dbraw/zinc/80/78/62/566807862.db2.gz CWWVYMMOWZMBBI-UHFFFAOYSA-N 1 2 388.269 3.333 10 0 GGAELO CC(C)(C(=O)Nc1nccn1Cc1ccc(Br)cc1)c1c[nH]c[nH+]1 ZINC000469701106 566807867 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O=C1[C@H]([N@@H+]2CC[C@H]([C@@H](O)C(F)(F)F)C2)CCCN1c1ccccc1Cl ZINC000451883391 566899866 /nfs/dbraw/zinc/89/98/66/566899866.db2.gz DCHQFWNSVBPJJS-NILFDRSVSA-N 1 2 376.806 3.081 10 0 GGAELO O=C1[C@H]([N@H+]2CC[C@H]([C@@H](O)C(F)(F)F)C2)CCCN1c1ccccc1Cl ZINC000451883391 566899872 /nfs/dbraw/zinc/89/98/72/566899872.db2.gz DCHQFWNSVBPJJS-NILFDRSVSA-N 1 2 376.806 3.081 10 0 GGAELO Cc1sc2nc([C@H](C)[N@@H+]3CC[C@@H]([C@@H](O)C(F)(F)F)C3)[nH]c(=O)c2c1C ZINC000451881331 566900182 /nfs/dbraw/zinc/90/01/82/566900182.db2.gz BIBYLSYTWANAJH-MKPLZMMCSA-N 1 2 375.416 3.320 10 0 GGAELO Cc1sc2nc([C@H](C)[N@H+]3CC[C@@H]([C@@H](O)C(F)(F)F)C3)[nH]c(=O)c2c1C ZINC000451881331 566900188 /nfs/dbraw/zinc/90/01/88/566900188.db2.gz BIBYLSYTWANAJH-MKPLZMMCSA-N 1 2 375.416 3.320 10 0 GGAELO CCc1sc(-c2nnc(C[N@@H+]3CC[C@@H]([C@H](O)C(F)(F)F)C3)o2)cc1C ZINC000451884084 566900561 /nfs/dbraw/zinc/90/05/61/566900561.db2.gz WLUXQIYBSHQPEN-YGRLFVJLSA-N 1 2 375.416 3.414 10 0 GGAELO CCc1sc(-c2nnc(C[N@H+]3CC[C@@H]([C@H](O)C(F)(F)F)C3)o2)cc1C ZINC000451884084 566900567 /nfs/dbraw/zinc/90/05/67/566900567.db2.gz WLUXQIYBSHQPEN-YGRLFVJLSA-N 1 2 375.416 3.414 10 0 GGAELO O=C1[C@H]([N@@H+]2CC[C@@H]([C@H](O)C(F)(F)F)C2)CCN1c1ccc(Cl)cc1Cl ZINC000451884261 566900606 /nfs/dbraw/zinc/90/06/06/566900606.db2.gz GALKKAJWFHTJCY-FZQKWOKYSA-N 1 2 397.224 3.344 10 0 GGAELO O=C1[C@H]([N@H+]2CC[C@@H]([C@H](O)C(F)(F)F)C2)CCN1c1ccc(Cl)cc1Cl ZINC000451884261 566900618 /nfs/dbraw/zinc/90/06/18/566900618.db2.gz GALKKAJWFHTJCY-FZQKWOKYSA-N 1 2 397.224 3.344 10 0 GGAELO CC(C)(C)[C@H](NC(=O)C[N@@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1)c1cccs1 ZINC000451882039 566901358 /nfs/dbraw/zinc/90/13/58/566901358.db2.gz BTJYENHBEMAURZ-KCPJHIHWSA-N 1 2 378.460 3.197 10 0 GGAELO CC(C)(C)[C@H](NC(=O)C[N@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1)c1cccs1 ZINC000451882039 566901362 /nfs/dbraw/zinc/90/13/62/566901362.db2.gz BTJYENHBEMAURZ-KCPJHIHWSA-N 1 2 378.460 3.197 10 0 GGAELO CCc1sc(-c2nnc(C[N@@H+]3CC[C@H]([C@H](O)C(F)(F)F)C3)o2)cc1C ZINC000451884079 566901392 /nfs/dbraw/zinc/90/13/92/566901392.db2.gz WLUXQIYBSHQPEN-HZMBPMFUSA-N 1 2 375.416 3.414 10 0 GGAELO CCc1sc(-c2nnc(C[N@H+]3CC[C@H]([C@H](O)C(F)(F)F)C3)o2)cc1C ZINC000451884079 566901398 /nfs/dbraw/zinc/90/13/98/566901398.db2.gz WLUXQIYBSHQPEN-HZMBPMFUSA-N 1 2 375.416 3.414 10 0 GGAELO O=C1[C@H]([N@@H+]2CC[C@H]([C@H](O)C(F)(F)F)C2)CCN1c1ccc(Cl)cc1Cl ZINC000451884263 566901436 /nfs/dbraw/zinc/90/14/36/566901436.db2.gz GALKKAJWFHTJCY-FZZIBODNSA-N 1 2 397.224 3.344 10 0 GGAELO O=C1[C@H]([N@H+]2CC[C@H]([C@H](O)C(F)(F)F)C2)CCN1c1ccc(Cl)cc1Cl ZINC000451884263 566901439 /nfs/dbraw/zinc/90/14/39/566901439.db2.gz GALKKAJWFHTJCY-FZZIBODNSA-N 1 2 397.224 3.344 10 0 GGAELO O=C(C[N@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1)Nc1nc(-c2cccs2)cs1 ZINC000451888649 566902697 /nfs/dbraw/zinc/90/26/97/566902697.db2.gz LKCUOXNFYKZEGC-NOZJJQNGSA-N 1 2 391.440 3.055 10 0 GGAELO O=C(C[N@@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1)Nc1nc(-c2cccs2)cs1 ZINC000451888649 566902701 /nfs/dbraw/zinc/90/27/01/566902701.db2.gz LKCUOXNFYKZEGC-NOZJJQNGSA-N 1 2 391.440 3.055 10 0 GGAELO COc1cc(NC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)ncc1Br ZINC000680368565 566903735 /nfs/dbraw/zinc/90/37/35/566903735.db2.gz PZKCHZPPAWBAHG-NSHDSACASA-N 1 2 380.246 3.335 10 0 GGAELO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)c2cscc2Cl)CC1 ZINC000632668013 566904868 /nfs/dbraw/zinc/90/48/68/566904868.db2.gz LJLFRGDTJLQOCY-UHFFFAOYSA-N 1 2 377.897 3.318 10 0 GGAELO COC(=O)c1sccc1C[NH2+][C@H](CO)c1ccc(Br)c(F)c1 ZINC000429038318 566905183 /nfs/dbraw/zinc/90/51/83/566905183.db2.gz WKXRALAZQCAASQ-CYBMUJFWSA-N 1 2 388.258 3.260 10 0 GGAELO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)c3cscc3Cl)c2)CC1 ZINC000632672038 566905564 /nfs/dbraw/zinc/90/55/64/566905564.db2.gz YTVBVCJRVBVVKQ-UHFFFAOYSA-N 1 2 377.897 3.318 10 0 GGAELO CC[C@H]([NH2+][C@H](C(N)=O)c1ccc(Br)cc1)c1c(C)nn(C)c1C ZINC000680399968 566906211 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HKUYDZHTILRJJR-KRWDZBQOSA-N 1 2 378.314 3.445 10 0 GGAELO Cn1ncc(Br)c1C[N@@H+](CCCO)[C@H]1CCCc2ccccc21 ZINC000494929173 567034950 /nfs/dbraw/zinc/03/49/50/567034950.db2.gz HKUYDZHTILRJJR-KRWDZBQOSA-N 1 2 378.314 3.445 10 0 GGAELO Cc1cn2c([nH+]1)CN(C(=O)C(C)(C)Oc1ccc(Br)cc1)CC2 ZINC000613401479 567035973 /nfs/dbraw/zinc/03/59/73/567035973.db2.gz RHCULCUSGXVCSG-UHFFFAOYSA-N 1 2 378.270 3.154 10 0 GGAELO COC[C@@H](CSc1nnc([C@H](C)[NH+](C)C)n1-c1ccc(Cl)cc1)OC ZINC000657226029 567038081 /nfs/dbraw/zinc/03/80/81/567038081.db2.gz SHWJMIGUHSAFFY-WFASDCNBSA-N 1 2 384.933 3.297 10 0 GGAELO C[N@@H+]1CCN(C(=O)c2[nH]nc3ccc(Br)cc32)[C@H](c2ccccc2)C1 ZINC000521066308 567038219 /nfs/dbraw/zinc/03/82/19/567038219.db2.gz OXTCWTGGLMODPU-KRWDZBQOSA-N 1 2 399.292 3.454 10 0 GGAELO C[N@H+]1CCN(C(=O)c2[nH]nc3ccc(Br)cc32)[C@H](c2ccccc2)C1 ZINC000521066308 567038225 /nfs/dbraw/zinc/03/82/25/567038225.db2.gz OXTCWTGGLMODPU-KRWDZBQOSA-N 1 2 399.292 3.454 10 0 GGAELO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N[C@@H](CO)c3ccsc3)n2)C1 ZINC000545325315 567038648 /nfs/dbraw/zinc/03/86/48/567038648.db2.gz WWJAMJBZWBQQPM-DOMZBBRYSA-N 1 2 380.539 3.292 10 0 GGAELO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N[C@@H](CO)c3ccsc3)n2)C1 ZINC000545325315 567038660 /nfs/dbraw/zinc/03/86/60/567038660.db2.gz WWJAMJBZWBQQPM-DOMZBBRYSA-N 1 2 380.539 3.292 10 0 GGAELO CC(C)n1cc(C[NH2+]Cc2ccc(I)cc2Cl)nn1 ZINC000521305853 567053593 /nfs/dbraw/zinc/05/35/93/567053593.db2.gz BPWYRYJVBHEGHZ-UHFFFAOYSA-N 1 2 390.656 3.407 10 0 GGAELO CCOC1(C(=O)NCCc2cn3cc(Br)cc(C)c3[nH+]2)CCC1 ZINC000613481890 567040783 /nfs/dbraw/zinc/04/07/83/567040783.db2.gz QETKXRFQVNLVFV-UHFFFAOYSA-N 1 2 380.286 3.023 10 0 GGAELO CO[C@@H](C(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1)C1CCCC1 ZINC000613478663 567040821 /nfs/dbraw/zinc/04/08/21/567040821.db2.gz CZZPNIIBNUOAEZ-MRXNPFEDSA-N 1 2 394.313 3.269 10 0 GGAELO O=C([C@H]1CCc2[nH+]c[nH]c2C1)N1CCc2c(Br)ccc(F)c2C1 ZINC000613493182 567041116 /nfs/dbraw/zinc/04/11/16/567041116.db2.gz SFDQUAKXSWGKGI-JTQLQIEISA-N 1 2 378.245 3.001 10 0 GGAELO O=C([C@H]1CCc2[nH]c[nH+]c2C1)N1CCc2c(Br)ccc(F)c2C1 ZINC000613493182 567041118 /nfs/dbraw/zinc/04/11/18/567041118.db2.gz SFDQUAKXSWGKGI-JTQLQIEISA-N 1 2 378.245 3.001 10 0 GGAELO Cn1ncc(Br)c1C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000495057673 567041988 /nfs/dbraw/zinc/04/19/88/567041988.db2.gz GVLXTHONYJUVLG-AWEZNQCLSA-N 1 2 378.270 3.291 10 0 GGAELO Cn1ncc(Br)c1C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000495057673 567041993 /nfs/dbraw/zinc/04/19/93/567041993.db2.gz GVLXTHONYJUVLG-AWEZNQCLSA-N 1 2 378.270 3.291 10 0 GGAELO Cn1ncc(Br)c1C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000495057674 567042093 /nfs/dbraw/zinc/04/20/93/567042093.db2.gz GVLXTHONYJUVLG-CQSZACIVSA-N 1 2 378.270 3.291 10 0 GGAELO Cn1ncc(Br)c1C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000495057674 567042097 /nfs/dbraw/zinc/04/20/97/567042097.db2.gz GVLXTHONYJUVLG-CQSZACIVSA-N 1 2 378.270 3.291 10 0 GGAELO Cc1cc(Br)cn2cc(CNC(=O)[C@@H](C)Cc3ccco3)[nH+]c12 ZINC000613504323 567042147 /nfs/dbraw/zinc/04/21/47/567042147.db2.gz OCJZLELSMOXKGS-LBPRGKRZSA-N 1 2 376.254 3.493 10 0 GGAELO O=c1c2c([nH]n1-c1cncc(Br)c1)CC[N@@H+](Cc1ccccc1)C2 ZINC000634620495 567042898 /nfs/dbraw/zinc/04/28/98/567042898.db2.gz GFPCPQAHPURSAL-MRXNPFEDSA-N 1 2 385.265 3.069 10 0 GGAELO O=c1c2c([nH]n1-c1cncc(Br)c1)CC[N@H+](Cc1ccccc1)C2 ZINC000634620495 567042904 /nfs/dbraw/zinc/04/29/04/567042904.db2.gz GFPCPQAHPURSAL-MRXNPFEDSA-N 1 2 385.265 3.069 10 0 GGAELO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)C2(C(F)(F)F)CCOCC2)CC1 ZINC000613546090 567044897 /nfs/dbraw/zinc/04/48/97/567044897.db2.gz VHANROXBIXFYBD-ZDUSSCGKSA-N 1 2 376.444 3.312 10 0 GGAELO Cc1ncc(Cl)c(C(=O)NCc2cn3cc(Br)cc(C)c3[nH+]2)n1 ZINC000545406554 567048429 /nfs/dbraw/zinc/04/84/29/567048429.db2.gz LNUUZHBQVSNAEJ-UHFFFAOYSA-N 1 2 394.660 3.087 10 0 GGAELO COCc1ccc(C(=O)NCCc2cn3cc(Br)cc(C)c3[nH+]2)o1 ZINC000545410837 567048777 /nfs/dbraw/zinc/04/87/77/567048777.db2.gz FIIXWRZESHDOKB-UHFFFAOYSA-N 1 2 392.253 3.117 10 0 GGAELO CCn1nccc1CC[NH+]1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000472753496 567049227 /nfs/dbraw/zinc/04/92/27/567049227.db2.gz OUADSMRKOLRWFP-UHFFFAOYSA-N 1 2 381.307 3.210 10 0 GGAELO Cc1cc(Br)cn2cc(CNC(=O)C[C@@H](C)n3cccc3)[nH+]c12 ZINC000545406805 567049328 /nfs/dbraw/zinc/04/93/28/567049328.db2.gz KEKVIOYRNLXLDU-CYBMUJFWSA-N 1 2 375.270 3.474 10 0 GGAELO COc1cc(Br)ccc1[C@H](C)NC(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000682499943 567051047 /nfs/dbraw/zinc/05/10/47/567051047.db2.gz ZHINDAWCXSEGNC-LBPRGKRZSA-N 1 2 393.285 3.249 10 0 GGAELO COC(=O)[C@H]1CC[N@@H+](Cc2cc(Br)cc(Br)c2)C1 ZINC000584687021 567061787 /nfs/dbraw/zinc/06/17/87/567061787.db2.gz DEGGBCVYKXTRDF-JTQLQIEISA-N 1 2 377.076 3.207 10 0 GGAELO C[C@@H]([NH2+][C@H](C)c1ncc(Br)cn1)C(=O)NCCC1=CCCCC1 ZINC000431079216 567051791 /nfs/dbraw/zinc/05/17/91/567051791.db2.gz YAVCUXOPOOHFNZ-CHWSQXEVSA-N 1 2 381.318 3.285 10 0 GGAELO C[C@@H]([NH2+][C@H](C)c1ncc(Br)cn1)C(=O)Nc1cc(F)ccc1F ZINC000431078257 567051984 /nfs/dbraw/zinc/05/19/84/567051984.db2.gz FKIHGPVZTALESL-RKDXNWHRSA-N 1 2 385.212 3.195 10 0 GGAELO C[C@@H]([NH2+][C@H]1CCN(c2ccccc2Cl)C1=O)c1ncc(Br)cn1 ZINC000431086763 567052433 /nfs/dbraw/zinc/05/24/33/567052433.db2.gz SCZSJYBKBYSHAD-MFKMUULPSA-N 1 2 395.688 3.349 10 0 GGAELO C[C@H]([NH2+][C@@H](C)c1ncc(Br)cn1)C(=O)Nc1ccc(F)c(F)c1 ZINC000431081099 567052448 /nfs/dbraw/zinc/05/24/48/567052448.db2.gz OJNZIXSFKITAMP-IUCAKERBSA-N 1 2 385.212 3.195 10 0 GGAELO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(F)c(F)c1)c1ncc(Br)cn1 ZINC000431081095 567052492 /nfs/dbraw/zinc/05/24/92/567052492.db2.gz OJNZIXSFKITAMP-BDAKNGLRSA-N 1 2 385.212 3.195 10 0 GGAELO CCOc1ccccc1NC(=O)[C@H](C)[NH2+][C@H](C)c1ncc(Br)cn1 ZINC000431082056 567052569 /nfs/dbraw/zinc/05/25/69/567052569.db2.gz SJMOJYDCLZDRJL-NEPJUHHUSA-N 1 2 393.285 3.316 10 0 GGAELO CC(=O)c1cccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ncc(Br)cn2)c1 ZINC000431095138 567053455 /nfs/dbraw/zinc/05/34/55/567053455.db2.gz DNWVKLMCDDGHHP-GHMZBOCLSA-N 1 2 391.269 3.120 10 0 GGAELO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ncc(Br)cn1 ZINC000431092633 567053649 /nfs/dbraw/zinc/05/36/49/567053649.db2.gz CVUYFITWMPPPLQ-IHRRRGAJSA-N 1 2 391.313 3.464 10 0 GGAELO CC(=O)c1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ncc(Br)cn2)cc1 ZINC000431101079 567053939 /nfs/dbraw/zinc/05/39/39/567053939.db2.gz XIXQNEFAGPCTFE-QWRGUYRKSA-N 1 2 391.269 3.120 10 0 GGAELO CCN(C(=O)[C@H](C)[NH2+][C@H](C)c1ncc(Br)cn1)c1ccccc1 ZINC000431098821 567054186 /nfs/dbraw/zinc/05/41/86/567054186.db2.gz DMRRCRHHZWGNAI-OLZOCXBDSA-N 1 2 377.286 3.331 10 0 GGAELO C[C@H]([NH2+][C@H]1CCCN(c2ccccc2F)C1=O)c1ncc(Br)cn1 ZINC000431111690 567055020 /nfs/dbraw/zinc/05/50/20/567055020.db2.gz MKZUIAMWQHHAGO-FZMZJTMJSA-N 1 2 393.260 3.224 10 0 GGAELO Cc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ncc(Br)cn2)c(F)c1 ZINC000431108777 567055138 /nfs/dbraw/zinc/05/51/38/567055138.db2.gz VOUQGZPFVXZRNT-WDEREUQCSA-N 1 2 381.249 3.364 10 0 GGAELO C[C@@H]([NH2+][C@@H](C)C(=O)NCc1ccc(Cl)cc1)c1ncc(Br)cn1 ZINC000431105027 567055163 /nfs/dbraw/zinc/05/51/63/567055163.db2.gz XLTARSNVVHDGNE-MNOVXSKESA-N 1 2 397.704 3.248 10 0 GGAELO Cc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ncc(Br)cn2)c(F)c1 ZINC000431108768 567055227 /nfs/dbraw/zinc/05/52/27/567055227.db2.gz VOUQGZPFVXZRNT-GHMZBOCLSA-N 1 2 381.249 3.364 10 0 GGAELO C[C@@H]([NH2+][C@H](C)c1ncc(Br)cn1)C(=O)NCc1ccc(Cl)cc1 ZINC000431105025 567055255 /nfs/dbraw/zinc/05/52/55/567055255.db2.gz XLTARSNVVHDGNE-GHMZBOCLSA-N 1 2 397.704 3.248 10 0 GGAELO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ncc(Br)cn2)c(F)c1 ZINC000431108771 567055350 /nfs/dbraw/zinc/05/53/50/567055350.db2.gz VOUQGZPFVXZRNT-MNOVXSKESA-N 1 2 381.249 3.364 10 0 GGAELO C[C@@H]([NH2+][C@H]1CCN(c2cccc(Cl)c2)C1=O)c1ncc(Br)cn1 ZINC000431109276 567055377 /nfs/dbraw/zinc/05/53/77/567055377.db2.gz DGBSAQACABWXEP-YGRLFVJLSA-N 1 2 395.688 3.349 10 0 GGAELO CCn1nc2c(cc1=O)C[N@@H+](Cc1ccc(Br)c(Cl)c1)CC2 ZINC000682529620 567055601 /nfs/dbraw/zinc/05/56/01/567055601.db2.gz YGWPVQODCVSLRK-UHFFFAOYSA-N 1 2 382.689 3.237 10 0 GGAELO CCn1nc2c(cc1=O)C[N@H+](Cc1ccc(Br)c(Cl)c1)CC2 ZINC000682529620 567055612 /nfs/dbraw/zinc/05/56/12/567055612.db2.gz YGWPVQODCVSLRK-UHFFFAOYSA-N 1 2 382.689 3.237 10 0 GGAELO CCOc1cc(C[N@@H+]2CCO[C@@H](C(F)F)CC2)cc(Br)c1O ZINC000634734935 567055810 /nfs/dbraw/zinc/05/58/10/567055810.db2.gz SFJXKHLCKOUQAA-GFCCVEGCSA-N 1 2 380.229 3.409 10 0 GGAELO CCOc1cc(C[N@H+]2CCO[C@@H](C(F)F)CC2)cc(Br)c1O ZINC000634734935 567055817 /nfs/dbraw/zinc/05/58/17/567055817.db2.gz SFJXKHLCKOUQAA-GFCCVEGCSA-N 1 2 380.229 3.409 10 0 GGAELO Cc1cc(Br)cn2cc(CNCc3cn(C4CCC4)nn3)[nH+]c12 ZINC000657433747 567055961 /nfs/dbraw/zinc/05/59/61/567055961.db2.gz AFNLRLWRKPUTJY-UHFFFAOYSA-N 1 2 375.274 3.012 10 0 GGAELO C[C@H]1C[N@H+](CCNC(=O)c2ccc3scc(Br)c3c2)CCO1 ZINC000584570318 567056360 /nfs/dbraw/zinc/05/63/60/567056360.db2.gz SDECKIBXZZOHHH-NSHDSACASA-N 1 2 383.311 3.114 10 0 GGAELO C[C@H]1C[N@@H+](CCNC(=O)c2ccc3scc(Br)c3c2)CCO1 ZINC000584570318 567056367 /nfs/dbraw/zinc/05/63/67/567056367.db2.gz SDECKIBXZZOHHH-NSHDSACASA-N 1 2 383.311 3.114 10 0 GGAELO O=C1[C@H]([NH2+]Cc2cn(C3CCC3)nn2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000657429982 567056463 /nfs/dbraw/zinc/05/64/63/567056463.db2.gz VGSIUFFOKOLPDJ-MRXNPFEDSA-N 1 2 380.279 3.205 10 0 GGAELO C[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C)c1ncc(Br)cn1 ZINC000431117209 567056713 /nfs/dbraw/zinc/05/67/13/567056713.db2.gz HGSZYGOSPVMKDS-GEJOOGBSSA-N 1 2 383.334 3.219 10 0 GGAELO C[C@@H]([NH2+][C@@H]1CCN(c2ccc(Cl)cc2)C1=O)c1ncc(Br)cn1 ZINC000431120999 567056786 /nfs/dbraw/zinc/05/67/86/567056786.db2.gz CVWINOIWQSBVAO-QMTHXVAHSA-N 1 2 395.688 3.349 10 0 GGAELO FC(F)[C@H]1CC[N@H+](Cc2nnc(-c3ccccc3Br)o2)CCO1 ZINC000634750429 567056865 /nfs/dbraw/zinc/05/68/65/567056865.db2.gz WPPJJQGJVYQBEH-GFCCVEGCSA-N 1 2 388.212 3.355 10 0 GGAELO FC(F)[C@H]1CC[N@@H+](Cc2nnc(-c3ccccc3Br)o2)CCO1 ZINC000634750429 567056869 /nfs/dbraw/zinc/05/68/69/567056869.db2.gz WPPJJQGJVYQBEH-GFCCVEGCSA-N 1 2 388.212 3.355 10 0 GGAELO C[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C)c1ncc(Br)cn1 ZINC000431117210 567056864 /nfs/dbraw/zinc/05/68/64/567056864.db2.gz HGSZYGOSPVMKDS-IHWVXMPCSA-N 1 2 383.334 3.219 10 0 GGAELO O=C1[C@@H]([NH2+]Cc2cn(C3CCC3)nn2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000657429979 567056945 /nfs/dbraw/zinc/05/69/45/567056945.db2.gz VGSIUFFOKOLPDJ-INIZCTEOSA-N 1 2 380.279 3.205 10 0 GGAELO C[C@@H]([NH2+]Cc1ccc(O[C@H]2CCOC2)cc1)c1ncc(Br)cn1 ZINC000657473456 567060579 /nfs/dbraw/zinc/06/05/79/567060579.db2.gz JROYFHBKMJSNIY-WBMJQRKESA-N 1 2 378.270 3.258 10 0 GGAELO C[C@@H]([NH2+]Cc1ccc(O[C@@H]2CCOC2)cc1)c1ncc(Br)cn1 ZINC000657473455 567060632 /nfs/dbraw/zinc/06/06/32/567060632.db2.gz JROYFHBKMJSNIY-MLGOLLRUSA-N 1 2 378.270 3.258 10 0 GGAELO COC(=O)[C@H]1CC[N@H+](Cc2cc(Br)cc(Br)c2)C1 ZINC000584687021 567061782 /nfs/dbraw/zinc/06/17/82/567061782.db2.gz DEGGBCVYKXTRDF-JTQLQIEISA-N 1 2 377.076 3.207 10 0 GGAELO C[N@@H+]1CC[C@H](NC(=O)c2cccc([S@](C)=O)c2)[C@H]1c1ccc(Cl)cc1 ZINC000613807632 567064654 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C[C@H]([NH2+]CC(=O)Nc1ccc(F)cc1Cl)c1ncc(Br)cn1 ZINC000433008680 567215836 /nfs/dbraw/zinc/21/58/36/567215836.db2.gz PUOXMLORWAJTGA-QMMMGPOBSA-N 1 2 387.640 3.321 10 0 GGAELO CC[C@@H]([NH2+][C@@H](C)c1ncc(Br)cn1)C(=O)Nc1ccc(OC)cc1 ZINC000433010625 567216130 /nfs/dbraw/zinc/21/61/30/567216130.db2.gz YFFDQWMLZDWPLZ-XHDPSFHLSA-N 1 2 393.285 3.316 10 0 GGAELO COc1ccc(N[C@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)[nH+]c1 ZINC000684556652 567216167 /nfs/dbraw/zinc/21/61/67/567216167.db2.gz VPIVARVQMAAFOE-MRVPVSSYSA-N 1 2 376.265 3.218 10 0 GGAELO C[C@H](c1ccccc1Br)[NH+]1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 ZINC000498989422 567217195 /nfs/dbraw/zinc/21/71/95/567217195.db2.gz FZVNUEMLGCCWCZ-CYBMUJFWSA-N 1 2 390.281 3.069 10 0 GGAELO O=S(=O)(Cc1ccccc1Cl)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000590297571 567218879 /nfs/dbraw/zinc/21/88/79/567218879.db2.gz MMCGBLDNUABMGR-UHFFFAOYSA-N 1 2 375.881 3.204 10 0 GGAELO COc1cccc(S(=O)(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)c1 ZINC000684585112 567219437 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Cc1nc([C@](C)([NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)C2CC2)no1 ZINC000433298878 567240795 /nfs/dbraw/zinc/24/07/95/567240795.db2.gz ATCQFGJAZFSQMQ-CXAGYDPISA-N 1 2 386.279 3.340 10 0 GGAELO O=C(COc1ccc(Br)cc1F)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590729470 567241277 /nfs/dbraw/zinc/24/12/77/567241277.db2.gz GAZGBXMVGDWTCK-CYBMUJFWSA-N 1 2 382.233 3.027 10 0 GGAELO O=C(COc1ccc(F)cc1Br)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590729055 567241795 /nfs/dbraw/zinc/24/17/95/567241795.db2.gz CNXWHFBRFDTVGZ-ZDUSSCGKSA-N 1 2 382.233 3.027 10 0 GGAELO O=C(C1=Cc2cc(Br)ccc2OC1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590727939 567241853 /nfs/dbraw/zinc/24/18/53/567241853.db2.gz BAWLAVYXTCKOPI-INIZCTEOSA-N 1 2 388.265 3.285 10 0 GGAELO Cn1ncc(Br)c1C[NH2+][C@@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000567441616 567246016 /nfs/dbraw/zinc/24/60/16/567246016.db2.gz DEAOPBXZPKAKKD-LBPRGKRZSA-N 1 2 378.192 3.025 10 0 GGAELO COc1ccc(Br)cc1C1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC000616457104 567247564 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O=C([C@@H]1CCc2[nH]c[nH+]c2C1)N1CCN(c2cc(Cl)ccc2Cl)CC1 ZINC000616522515 567251204 /nfs/dbraw/zinc/25/12/04/567251204.db2.gz CJTKCLNCGWCSGI-GFCCVEGCSA-N 1 2 379.291 3.170 10 0 GGAELO CCn1nccc1C[N@H+](CCO)CC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000475491646 567251491 /nfs/dbraw/zinc/25/14/91/567251491.db2.gz HYPXHDUCCQCSOL-UHFFFAOYSA-N 1 2 382.291 3.480 10 0 GGAELO CCn1nccc1C[N@@H+](CCO)CC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000475491646 567251494 /nfs/dbraw/zinc/25/14/94/567251494.db2.gz HYPXHDUCCQCSOL-UHFFFAOYSA-N 1 2 382.291 3.480 10 0 GGAELO Cn1nccc1[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(Br)cc1 ZINC000685005730 567253220 /nfs/dbraw/zinc/25/32/20/567253220.db2.gz OZVJNBQXMBIGJS-INIZCTEOSA-N 1 2 377.286 3.348 10 0 GGAELO Cn1nccc1[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(Br)cc1 ZINC000685005730 567253226 /nfs/dbraw/zinc/25/32/26/567253226.db2.gz OZVJNBQXMBIGJS-INIZCTEOSA-N 1 2 377.286 3.348 10 0 GGAELO O=C(NCc1cc(F)ccc1Br)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590858668 567253490 /nfs/dbraw/zinc/25/34/90/567253490.db2.gz CXFSBQZKJUPFGX-CQSZACIVSA-N 1 2 381.249 3.331 10 0 GGAELO CCN(CC)c1ccc(CNS(=O)(=O)c2ccc3ncsc3c2)c[nH+]1 ZINC000475544118 567256002 /nfs/dbraw/zinc/25/60/02/567256002.db2.gz SUAWATBKODVAGH-UHFFFAOYSA-N 1 2 376.507 3.016 10 0 GGAELO CCn1ncnc1C[NH2+]Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000475565099 567257450 /nfs/dbraw/zinc/25/74/50/567257450.db2.gz OEZQNVPCXMUQGP-UHFFFAOYSA-N 1 2 378.299 3.474 10 0 GGAELO CCn1cc[nH+]c1CNC(=O)N[C@@H]1CCc2c1ccc(F)c2Br ZINC000455302831 567259114 /nfs/dbraw/zinc/25/91/14/567259114.db2.gz WRYJHCNOSUQECT-CYBMUJFWSA-N 1 2 381.249 3.291 10 0 GGAELO CCn1cc[nH+]c1CNC(=O)N1CCc2cc(Br)cc(C)c2C1 ZINC000455304671 567259231 /nfs/dbraw/zinc/25/92/31/567259231.db2.gz ZCQSCEBDOQSMHL-UHFFFAOYSA-N 1 2 377.286 3.242 10 0 GGAELO CCn1cc[nH+]c1CNC(=O)N[C@H]1CCc2c1ccc(F)c2Br ZINC000455302833 567259676 /nfs/dbraw/zinc/25/96/76/567259676.db2.gz WRYJHCNOSUQECT-ZDUSSCGKSA-N 1 2 381.249 3.291 10 0 GGAELO COc1c(C)c[nH+]c(CN(C)S(=O)(=O)c2ccc3ncsc3c2)c1C ZINC000475573517 567259727 /nfs/dbraw/zinc/25/97/27/567259727.db2.gz SIHIKACULQCNNJ-UHFFFAOYSA-N 1 2 377.491 3.137 10 0 GGAELO C[C@](O)(C[NH+]1CCN(CCc2ccc(Cl)c(Cl)c2)CC1)C(F)(F)F ZINC000499597664 567260509 /nfs/dbraw/zinc/26/05/09/567260509.db2.gz DDWBPIBIPBHVPA-HNNXBMFYSA-N 1 2 385.257 3.467 10 0 GGAELO C[C@](O)(CN1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1)C(F)(F)F ZINC000499597664 567260520 /nfs/dbraw/zinc/26/05/20/567260520.db2.gz DDWBPIBIPBHVPA-HNNXBMFYSA-N 1 2 385.257 3.467 10 0 GGAELO CC1(C)C[N@H+](Cc2cc(Br)cc3c2OCC3)C[C@]2(CCOC2)O1 ZINC000475621095 567262203 /nfs/dbraw/zinc/26/22/03/567262203.db2.gz CIMWPGMJGKBALU-SFHVURJKSA-N 1 2 382.298 3.154 10 0 GGAELO CC1(C)C[N@@H+](Cc2cc(Br)cc3c2OCC3)C[C@]2(CCOC2)O1 ZINC000475621095 567262211 /nfs/dbraw/zinc/26/22/11/567262211.db2.gz CIMWPGMJGKBALU-SFHVURJKSA-N 1 2 382.298 3.154 10 0 GGAELO COc1ncc(Br)cc1C[N@@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000660110374 567262198 /nfs/dbraw/zinc/26/21/98/567262198.db2.gz ATXCDTVARZOZCZ-LBPRGKRZSA-N 1 2 392.301 3.159 10 0 GGAELO COc1ncc(Br)cc1C[N@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000660110374 567262204 /nfs/dbraw/zinc/26/22/04/567262204.db2.gz ATXCDTVARZOZCZ-LBPRGKRZSA-N 1 2 392.301 3.159 10 0 GGAELO CCOC(=O)C1(COC)CC[NH+](Cc2ccc(Br)s2)CC1 ZINC000475620862 567262805 /nfs/dbraw/zinc/26/28/05/567262805.db2.gz TXQDNKUVQAUCSK-UHFFFAOYSA-N 1 2 376.316 3.302 10 0 GGAELO CC[C@H]1C[N@H+](Cc2cc(Br)cc3c2OCC3)C[C@]2(CCOC2)O1 ZINC000475622879 567263146 /nfs/dbraw/zinc/26/31/46/567263146.db2.gz ZFVOSLIQBVENCS-WMZOPIPTSA-N 1 2 382.298 3.154 10 0 GGAELO CC[C@H]1C[N@@H+](Cc2cc(Br)cc3c2OCC3)C[C@]2(CCOC2)O1 ZINC000475622879 567263151 /nfs/dbraw/zinc/26/31/51/567263151.db2.gz ZFVOSLIQBVENCS-WMZOPIPTSA-N 1 2 382.298 3.154 10 0 GGAELO CO[C@H]1CCCC[C@@H]1C(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000499642931 567263318 /nfs/dbraw/zinc/26/33/18/567263318.db2.gz WCQCRWHOYYHSKU-GJZGRUSLSA-N 1 2 380.286 3.227 10 0 GGAELO COc1ncc(Br)cc1C[N@@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000660110373 567263479 /nfs/dbraw/zinc/26/34/79/567263479.db2.gz 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ZINC000475639327 567264746 /nfs/dbraw/zinc/26/47/46/567264746.db2.gz QCFVUXQNURCDEZ-HNNXBMFYSA-N 1 2 376.316 3.289 10 0 GGAELO C[C@H]([C@H](C)NC(=O)c1cc(F)c(Br)cc1Cl)[NH+]1CCOCC1 ZINC000475648145 567264858 /nfs/dbraw/zinc/26/48/58/567264858.db2.gz GPPKERRNQAHSPW-VHSXEESVSA-N 1 2 393.684 3.081 10 0 GGAELO CC(C)(C)[N@@H+]1CCc2nc(NS(=O)(=O)Cc3ccc(F)cc3)sc2C1 ZINC000567661877 567265765 /nfs/dbraw/zinc/26/57/65/567265765.db2.gz KKSSVWHOQDNGOM-UHFFFAOYSA-N 1 2 383.514 3.381 10 0 GGAELO CC(C)(C)[N@H+]1CCc2nc(NS(=O)(=O)Cc3ccc(F)cc3)sc2C1 ZINC000567661877 567265769 /nfs/dbraw/zinc/26/57/69/567265769.db2.gz KKSSVWHOQDNGOM-UHFFFAOYSA-N 1 2 383.514 3.381 10 0 GGAELO CC[C@@H]1C[C@H](C[N@@H+]2CCNC(=O)[C@H]2c2ccc(Br)cc2)CCO1 ZINC000475676203 567268475 /nfs/dbraw/zinc/26/84/75/567268475.db2.gz JNGJKBLVYZXUHB-KBRIMQKVSA-N 1 2 381.314 3.127 10 0 GGAELO CC[C@@H]1C[C@H](C[N@H+]2CCNC(=O)[C@H]2c2ccc(Br)cc2)CCO1 ZINC000475676203 567268478 /nfs/dbraw/zinc/26/84/78/567268478.db2.gz JNGJKBLVYZXUHB-KBRIMQKVSA-N 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ZINC000660286771 567285016 /nfs/dbraw/zinc/28/50/16/567285016.db2.gz XXMQHDSRELIMLJ-OAHLLOKOSA-N 1 2 396.285 3.249 10 0 GGAELO COc1ncc(Br)cc1C[N@H+]1CC[C@@H](OCc2c(C)noc2C)C1 ZINC000660286771 567285022 /nfs/dbraw/zinc/28/50/22/567285022.db2.gz XXMQHDSRELIMLJ-OAHLLOKOSA-N 1 2 396.285 3.249 10 0 GGAELO NC(=O)C[N@@H+]1CCc2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2C1 ZINC000433958910 567286534 /nfs/dbraw/zinc/28/65/34/567286534.db2.gz RAWSOQWJMYFKJE-UHFFFAOYSA-N 1 2 378.259 3.089 10 0 GGAELO NC(=O)C[N@H+]1CCc2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2C1 ZINC000433958910 567286541 /nfs/dbraw/zinc/28/65/41/567286541.db2.gz RAWSOQWJMYFKJE-UHFFFAOYSA-N 1 2 378.259 3.089 10 0 GGAELO Cc1cc(Br)c(CNC(=O)NCc2ccc(N(C)C)[nH+]c2)s1 ZINC000660325600 567287097 /nfs/dbraw/zinc/28/70/97/567287097.db2.gz BEONUKIFSOVIRK-UHFFFAOYSA-N 1 2 383.315 3.279 10 0 GGAELO NC(=O)[C@H]([NH2+][C@H](c1cccnc1)C1CC1)c1ccc(Br)cc1F ZINC000526083114 567289296 /nfs/dbraw/zinc/28/92/96/567289296.db2.gz URFBLVSFLUNAEY-JKSUJKDBSA-N 1 2 378.245 3.251 10 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ZINC000685838595 567303023 /nfs/dbraw/zinc/30/30/23/567303023.db2.gz AXDMKKNDSNNWIB-UHFFFAOYSA-N 1 2 381.307 3.194 10 0 GGAELO CCn1nccc1CC[NH+]1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000568113161 567305852 /nfs/dbraw/zinc/30/58/52/567305852.db2.gz OJBHRWZAWCBYBY-UHFFFAOYSA-N 1 2 381.307 3.210 10 0 GGAELO Cc1c(Br)c2ccccc2n1CC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000548311859 567307532 /nfs/dbraw/zinc/30/75/32/567307532.db2.gz MMDFTADXTHOGCX-CYBMUJFWSA-N 1 2 387.281 3.040 10 0 GGAELO NS(=O)(=O)c1cc(C[NH2+][C@@H](c2c(Cl)cccc2Cl)C2CC2)co1 ZINC000660563308 567310150 /nfs/dbraw/zinc/31/01/50/567310150.db2.gz LZAWLENCIKHEAM-OAHLLOKOSA-N 1 2 375.277 3.475 10 0 GGAELO Cn1c[nH+]cc1CNc1ncccc1C(=O)Nc1ccc(Br)cc1 ZINC000685920927 567310448 /nfs/dbraw/zinc/31/04/48/567310448.db2.gz OACNQWGYECSTSU-UHFFFAOYSA-N 1 2 386.253 3.442 10 0 GGAELO Cn1cc2c(n1)CCC[C@@H]2[NH2+]Cc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000527066539 567311196 /nfs/dbraw/zinc/31/11/96/567311196.db2.gz ITSQTZCIINILBI-AWEZNQCLSA-N 1 2 387.285 3.135 10 0 GGAELO Cn1cc2c(n1)CCC[C@@H]2[NH2+]Cc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000527066539 567311201 /nfs/dbraw/zinc/31/12/01/567311201.db2.gz ITSQTZCIINILBI-AWEZNQCLSA-N 1 2 387.285 3.135 10 0 GGAELO O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)N[C@H]1CCc2c1ccc(Cl)c2Cl ZINC000568206951 567312397 /nfs/dbraw/zinc/31/23/97/567312397.db2.gz RWQZMZPYKCYUHN-OZVIIMIRSA-N 1 2 384.307 3.143 10 0 GGAELO O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)N[C@H]1CCc2c1ccc(Cl)c2Cl ZINC000568206951 567312405 /nfs/dbraw/zinc/31/24/05/567312405.db2.gz RWQZMZPYKCYUHN-OZVIIMIRSA-N 1 2 384.307 3.143 10 0 GGAELO Cc1nccc(NC(=O)NCc2cn3cc(Cl)ccc3[nH+]2)c1Br ZINC000527086922 567312489 /nfs/dbraw/zinc/31/24/89/567312489.db2.gz BHHFLTHOTUQFDD-UHFFFAOYSA-N 1 2 394.660 3.197 10 0 GGAELO CCO[C@@H]1C[C@@H](NC(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)[C@@H]1SC ZINC000592084332 567313586 /nfs/dbraw/zinc/31/35/86/567313586.db2.gz BFJDDAWELIXLDH-SVGFKBNWSA-N 1 2 383.583 3.045 10 0 GGAELO CC(C)[C@@H](CC(F)(F)F)NC(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000527097023 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385.103 3.466 10 0 GGAELO OC1(C[N@@H+]2CCc3cc(Br)c(Br)cc3C2)CCC1 ZINC000662110480 567413566 /nfs/dbraw/zinc/41/35/66/567413566.db2.gz FBNMJUDNVSXTPN-UHFFFAOYSA-N 1 2 375.104 3.485 10 0 GGAELO OC1(C[N@H+]2CCc3cc(Br)c(Br)cc3C2)CCC1 ZINC000662110480 567413573 /nfs/dbraw/zinc/41/35/73/567413573.db2.gz FBNMJUDNVSXTPN-UHFFFAOYSA-N 1 2 375.104 3.485 10 0 GGAELO CCN(c1cc[nH+]cc1)S(=O)(=O)c1c(OC)cccc1OC(F)(F)F ZINC000528343157 567413820 /nfs/dbraw/zinc/41/38/20/567413820.db2.gz VFFABUIXJBKMOA-UHFFFAOYSA-N 1 2 376.356 3.204 10 0 GGAELO Cc1ccc2c(c1Br)C[N@@H+](CCc1nnnn1-c1ccccc1)C2 ZINC000662190912 567415884 /nfs/dbraw/zinc/41/58/84/567415884.db2.gz GIFUJTPFWFUTPL-UHFFFAOYSA-N 1 2 384.281 3.292 10 0 GGAELO Cc1ccc2c(c1Br)C[N@H+](CCc1nnnn1-c1ccccc1)C2 ZINC000662190912 567415886 /nfs/dbraw/zinc/41/58/86/567415886.db2.gz GIFUJTPFWFUTPL-UHFFFAOYSA-N 1 2 384.281 3.292 10 0 GGAELO O[C@@H](COCc1ccccc1)C[N@@H+]1CCOc2cc(Br)ccc2C1 ZINC000662201121 567416180 /nfs/dbraw/zinc/41/61/80/567416180.db2.gz PAWWUUDRQDVTTA-GOSISDBHSA-N 1 2 392.293 3.221 10 0 GGAELO O[C@@H](COCc1ccccc1)C[N@H+]1CCOc2cc(Br)ccc2C1 ZINC000662201121 567416186 /nfs/dbraw/zinc/41/61/86/567416186.db2.gz PAWWUUDRQDVTTA-GOSISDBHSA-N 1 2 392.293 3.221 10 0 GGAELO O[C@@H](COc1ccccc1)C[N@@H+]1CCOc2cc(Br)ccc2C1 ZINC000662205720 567417434 /nfs/dbraw/zinc/41/74/34/567417434.db2.gz ZLWWDWOPDWJQKF-MRXNPFEDSA-N 1 2 378.266 3.083 10 0 GGAELO O[C@@H](COc1ccccc1)C[N@H+]1CCOc2cc(Br)ccc2C1 ZINC000662205720 567417437 /nfs/dbraw/zinc/41/74/37/567417437.db2.gz ZLWWDWOPDWJQKF-MRXNPFEDSA-N 1 2 378.266 3.083 10 0 GGAELO C[C@@H](CCSc1ccccc1)[N@@H+]1CCc2sc(S(N)(=O)=O)cc2C1 ZINC000662223644 567417996 /nfs/dbraw/zinc/41/79/96/567417996.db2.gz VUFWCMHWZGCEKG-ZDUSSCGKSA-N 1 2 382.576 3.325 10 0 GGAELO C[C@@H](CCSc1ccccc1)[N@H+]1CCc2sc(S(N)(=O)=O)cc2C1 ZINC000662223644 567418002 /nfs/dbraw/zinc/41/80/02/567418002.db2.gz VUFWCMHWZGCEKG-ZDUSSCGKSA-N 1 2 382.576 3.325 10 0 GGAELO NS(=O)(=O)c1cc2c(s1)CC[N@H+](CCSc1cccc(Cl)c1)C2 ZINC000662226125 567418026 /nfs/dbraw/zinc/41/80/26/567418026.db2.gz HRCMXQIJGVASHT-UHFFFAOYSA-N 1 2 388.967 3.199 10 0 GGAELO NS(=O)(=O)c1cc2c(s1)CC[N@@H+](CCSc1cccc(Cl)c1)C2 ZINC000662226125 567418033 /nfs/dbraw/zinc/41/80/33/567418033.db2.gz HRCMXQIJGVASHT-UHFFFAOYSA-N 1 2 388.967 3.199 10 0 GGAELO CCO[C@H]1C[C@H](O)C12CC[NH+](Cc1ccc(Br)c(F)c1F)CC2 ZINC000528387818 567418513 /nfs/dbraw/zinc/41/85/13/567418513.db2.gz NYAUQUKZORULQU-KBPBESRZSA-N 1 2 390.268 3.479 10 0 GGAELO O[C@H](COc1ccc(Cl)cc1Cl)C[N@@H+]1CCO[C@@H](CC(F)(F)F)C1 ZINC000662231489 567418766 /nfs/dbraw/zinc/41/87/66/567418766.db2.gz GLEROFBMCUBXKF-RYUDHWBXSA-N 1 2 388.213 3.386 10 0 GGAELO O[C@H](COc1ccc(Cl)cc1Cl)C[N@H+]1CCO[C@@H](CC(F)(F)F)C1 ZINC000662231489 567418768 /nfs/dbraw/zinc/41/87/68/567418768.db2.gz GLEROFBMCUBXKF-RYUDHWBXSA-N 1 2 388.213 3.386 10 0 GGAELO O[C@H](COc1ccc(Cl)c(Cl)c1)C[N@@H+]1CCO[C@@H](CC(F)(F)F)C1 ZINC000662232045 567419090 /nfs/dbraw/zinc/41/90/90/567419090.db2.gz FDGWTYRTLBPCMV-JQWIXIFHSA-N 1 2 388.213 3.386 10 0 GGAELO O[C@H](COc1ccc(Cl)c(Cl)c1)C[N@H+]1CCO[C@@H](CC(F)(F)F)C1 ZINC000662232045 567419092 /nfs/dbraw/zinc/41/90/92/567419092.db2.gz FDGWTYRTLBPCMV-JQWIXIFHSA-N 1 2 388.213 3.386 10 0 GGAELO O[C@H](COc1c(Cl)cccc1Cl)C[N@@H+]1CCO[C@H](CC(F)(F)F)C1 ZINC000662231100 567419422 /nfs/dbraw/zinc/41/94/22/567419422.db2.gz BPQORFLRRBLTRM-WDEREUQCSA-N 1 2 388.213 3.386 10 0 GGAELO O[C@H](COc1c(Cl)cccc1Cl)C[N@H+]1CCO[C@H](CC(F)(F)F)C1 ZINC000662231100 567419428 /nfs/dbraw/zinc/41/94/28/567419428.db2.gz BPQORFLRRBLTRM-WDEREUQCSA-N 1 2 388.213 3.386 10 0 GGAELO O=C(CC[N@@H+]1CCO[C@@H](CC(F)(F)F)C1)Nc1ccc(Br)cc1 ZINC000662230317 567419481 /nfs/dbraw/zinc/41/94/81/567419481.db2.gz WANMLQOPCPEHLJ-ZDUSSCGKSA-N 1 2 395.219 3.431 10 0 GGAELO O=C(CC[N@H+]1CCO[C@@H](CC(F)(F)F)C1)Nc1ccc(Br)cc1 ZINC000662230317 567419488 /nfs/dbraw/zinc/41/94/88/567419488.db2.gz WANMLQOPCPEHLJ-ZDUSSCGKSA-N 1 2 395.219 3.431 10 0 GGAELO O[C@@H](COc1ccc(Cl)cc1Cl)C[N@@H+]1CCO[C@@H](CC(F)(F)F)C1 ZINC000662231487 567419506 /nfs/dbraw/zinc/41/95/06/567419506.db2.gz GLEROFBMCUBXKF-NEPJUHHUSA-N 1 2 388.213 3.386 10 0 GGAELO O[C@@H](COc1ccc(Cl)cc1Cl)C[N@H+]1CCO[C@@H](CC(F)(F)F)C1 ZINC000662231487 567419513 /nfs/dbraw/zinc/41/95/13/567419513.db2.gz GLEROFBMCUBXKF-NEPJUHHUSA-N 1 2 388.213 3.386 10 0 GGAELO C[C@@H]1C[N@H+](C[C@@H](O)COCc2ccccc2Cl)C[C@@H](CC(F)(F)F)O1 ZINC000662239559 567420342 /nfs/dbraw/zinc/42/03/42/567420342.db2.gz WOYWBNAOBFPFDX-BPLDGKMQSA-N 1 2 381.822 3.259 10 0 GGAELO C[C@@H]1C[N@@H+](C[C@@H](O)COCc2ccccc2Cl)C[C@@H](CC(F)(F)F)O1 ZINC000662239559 567420346 /nfs/dbraw/zinc/42/03/46/567420346.db2.gz WOYWBNAOBFPFDX-BPLDGKMQSA-N 1 2 381.822 3.259 10 0 GGAELO O[C@H](COc1cc(Cl)ccc1Cl)C[N@@H+]1CCO[C@H](CC(F)(F)F)C1 ZINC000662236902 567420574 /nfs/dbraw/zinc/42/05/74/567420574.db2.gz UZVQKYCBJUPRNZ-NWDGAFQWSA-N 1 2 388.213 3.386 10 0 GGAELO O[C@H](COc1cc(Cl)ccc1Cl)C[N@H+]1CCO[C@H](CC(F)(F)F)C1 ZINC000662236902 567420576 /nfs/dbraw/zinc/42/05/76/567420576.db2.gz UZVQKYCBJUPRNZ-NWDGAFQWSA-N 1 2 388.213 3.386 10 0 GGAELO C[C@@H]1C[N@H+](C[C@H](O)COCc2ccccc2Cl)C[C@H](CC(F)(F)F)O1 ZINC000662239561 567420638 /nfs/dbraw/zinc/42/06/38/567420638.db2.gz WOYWBNAOBFPFDX-SNPRPXQTSA-N 1 2 381.822 3.259 10 0 GGAELO C[C@@H]1C[N@@H+](C[C@H](O)COCc2ccccc2Cl)C[C@H](CC(F)(F)F)O1 ZINC000662239561 567420641 /nfs/dbraw/zinc/42/06/41/567420641.db2.gz WOYWBNAOBFPFDX-SNPRPXQTSA-N 1 2 381.822 3.259 10 0 GGAELO O[C@@H](COc1cc(Cl)ccc1Cl)C[N@@H+]1CCO[C@@H](CC(F)(F)F)C1 ZINC000662236901 567420728 /nfs/dbraw/zinc/42/07/28/567420728.db2.gz UZVQKYCBJUPRNZ-NEPJUHHUSA-N 1 2 388.213 3.386 10 0 GGAELO O[C@@H](COc1cc(Cl)ccc1Cl)C[N@H+]1CCO[C@@H](CC(F)(F)F)C1 ZINC000662236901 567420732 /nfs/dbraw/zinc/42/07/32/567420732.db2.gz UZVQKYCBJUPRNZ-NEPJUHHUSA-N 1 2 388.213 3.386 10 0 GGAELO C[C@H](OC[C@@H](O)C[N@@H+]1CCO[C@@H](CC(F)(F)F)C1)c1ccc(Cl)cc1 ZINC000662236252 567420820 /nfs/dbraw/zinc/42/08/20/567420820.db2.gz RVPDZYUIJRXGIW-RCBQFDQVSA-N 1 2 381.822 3.432 10 0 GGAELO C[C@H](OC[C@@H](O)C[N@H+]1CCO[C@@H](CC(F)(F)F)C1)c1ccc(Cl)cc1 ZINC000662236252 567420825 /nfs/dbraw/zinc/42/08/25/567420825.db2.gz RVPDZYUIJRXGIW-RCBQFDQVSA-N 1 2 381.822 3.432 10 0 GGAELO O=C1NCCCN1C1CC[NH+](Cc2ccc(Br)c(F)c2F)CC1 ZINC000528424247 567421384 /nfs/dbraw/zinc/42/13/84/567421384.db2.gz XEVMHHNJSFJALX-UHFFFAOYSA-N 1 2 388.256 3.107 10 0 GGAELO Fc1c(Br)ccc(CN2CC[NH+](Cc3ccncc3)CC2)c1F ZINC000528425617 567421800 /nfs/dbraw/zinc/42/18/00/567421800.db2.gz PAWDKKKSRGHEHH-UHFFFAOYSA-N 1 2 382.252 3.440 10 0 GGAELO COc1cccc([C@H](C)[NH+]2CCN(C(=O)[C@@H]3C[C@@]3(C)Br)CC2)c1 ZINC000528426685 567422052 /nfs/dbraw/zinc/42/20/52/567422052.db2.gz SOYHZNCKFUOSKV-QANKJYHBSA-N 1 2 381.314 3.074 10 0 GGAELO O=C(C[N@H+]1CC[C@@H](Oc2ccc(Cl)cc2)C1)Nc1nc2c(s1)CCC2 ZINC000550010543 567423261 /nfs/dbraw/zinc/42/32/61/567423261.db2.gz GWXDCUDOVRNXJT-CQSZACIVSA-N 1 2 377.897 3.377 10 0 GGAELO O=C(C[N@@H+]1CC[C@@H](Oc2ccc(Cl)cc2)C1)Nc1nc2c(s1)CCC2 ZINC000550010543 567423264 /nfs/dbraw/zinc/42/32/64/567423264.db2.gz GWXDCUDOVRNXJT-CQSZACIVSA-N 1 2 377.897 3.377 10 0 GGAELO Nc1nccc([C@H]2CCC[N@H+](Cc3ccc(Br)c(F)c3F)C2)n1 ZINC000528480027 567427588 /nfs/dbraw/zinc/42/75/88/567427588.db2.gz AWDDCZUTRIWYQW-JTQLQIEISA-N 1 2 383.240 3.309 10 0 GGAELO Nc1nccc([C@H]2CCC[N@@H+](Cc3ccc(Br)c(F)c3F)C2)n1 ZINC000528480027 567427591 /nfs/dbraw/zinc/42/75/91/567427591.db2.gz AWDDCZUTRIWYQW-JTQLQIEISA-N 1 2 383.240 3.309 10 0 GGAELO O=C(NCC[N@@H+]1CCc2c(Cl)cccc2C1)N[C@H](C1CC1)C(F)(F)F ZINC000502383629 567430670 /nfs/dbraw/zinc/43/06/70/567430670.db2.gz CJFIFGZNHGAMMB-OAHLLOKOSA-N 1 2 375.822 3.338 10 0 GGAELO O=C(NCC[N@H+]1CCc2c(Cl)cccc2C1)N[C@H](C1CC1)C(F)(F)F ZINC000502383629 567430674 /nfs/dbraw/zinc/43/06/74/567430674.db2.gz CJFIFGZNHGAMMB-OAHLLOKOSA-N 1 2 375.822 3.338 10 0 GGAELO OC1(C2CC[NH+](Cc3c(F)ccc(I)c3F)CC2)CC1 ZINC000593647793 567431758 /nfs/dbraw/zinc/43/17/58/567431758.db2.gz KXSYZGQVKBZJTI-UHFFFAOYSA-N 1 2 393.215 3.306 10 0 GGAELO O=C(c1sc2ncccc2c1Cl)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000528520394 567433717 /nfs/dbraw/zinc/43/37/17/567433717.db2.gz OTNWFVJLRFQNFJ-ZDUSSCGKSA-N 1 2 379.913 3.277 10 0 GGAELO O=C(N[C@@H]1C[C@H](O)C12CCC2)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000619080220 567433980 /nfs/dbraw/zinc/43/39/80/567433980.db2.gz IYCWBFQIRCNHNC-IXDOHACOSA-N 1 2 393.325 3.006 10 0 GGAELO C[N@@H+]1CCO[C@@H](CSCc2nc(=O)c3c(-c4ccco4)csc3[nH]2)C1 ZINC000569810283 567434875 /nfs/dbraw/zinc/43/48/75/567434875.db2.gz GXUAIMKNQDHRPN-LLVKDONJSA-N 1 2 377.491 3.221 10 0 GGAELO C[N@H+]1CCO[C@@H](CSCc2nc(=O)c3c(-c4ccco4)csc3[nH]2)C1 ZINC000569810283 567434879 /nfs/dbraw/zinc/43/48/79/567434879.db2.gz GXUAIMKNQDHRPN-LLVKDONJSA-N 1 2 377.491 3.221 10 0 GGAELO O=[S@]1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000593692967 567435956 /nfs/dbraw/zinc/43/59/56/567435956.db2.gz HYIMXELLOOMQIT-FRGLDACASA-N 1 2 384.217 3.053 10 0 GGAELO O=[S@]1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000593692967 567435962 /nfs/dbraw/zinc/43/59/62/567435962.db2.gz HYIMXELLOOMQIT-FRGLDACASA-N 1 2 384.217 3.053 10 0 GGAELO CCc1ccc(C[NH+]2CCN(C(=O)Cc3cccc(N)c3Cl)CC2)s1 ZINC000662468286 567439396 /nfs/dbraw/zinc/43/93/96/567439396.db2.gz MQNDLJCNSGENHS-UHFFFAOYSA-N 1 2 377.941 3.433 10 0 GGAELO O=C(C[N@H+]1CC2(CCOCC2)CC[C@@H]1CO)Nc1cccc(Cl)c1Cl ZINC000528639884 567444384 /nfs/dbraw/zinc/44/43/84/567444384.db2.gz MCWLXTBKCXVICK-CYBMUJFWSA-N 1 2 387.307 3.185 10 0 GGAELO O=C(C[N@@H+]1CC2(CCOCC2)CC[C@@H]1CO)Nc1cccc(Cl)c1Cl ZINC000528639884 567444389 /nfs/dbraw/zinc/44/43/89/567444389.db2.gz MCWLXTBKCXVICK-CYBMUJFWSA-N 1 2 387.307 3.185 10 0 GGAELO O=C(C[N@H+]1CC2(CCOCC2)CC[C@H]1CO)Nc1c(Cl)cccc1Cl ZINC000528637721 567445145 /nfs/dbraw/zinc/44/51/45/567445145.db2.gz GJPNRZJTWHWWBS-ZDUSSCGKSA-N 1 2 387.307 3.185 10 0 GGAELO O=C(C[N@@H+]1CC2(CCOCC2)CC[C@H]1CO)Nc1c(Cl)cccc1Cl ZINC000528637721 567445150 /nfs/dbraw/zinc/44/51/50/567445150.db2.gz GJPNRZJTWHWWBS-ZDUSSCGKSA-N 1 2 387.307 3.185 10 0 GGAELO COC(=O)[C@H](C)Oc1ccc(C[NH2+][C@@H](C)c2ncc(Br)cn2)cc1 ZINC000569949065 567446006 /nfs/dbraw/zinc/44/60/06/567446006.db2.gz MARGGYZYRTZYAG-RYUDHWBXSA-N 1 2 394.269 3.030 10 0 GGAELO COC(=O)[C@@H](C)Oc1ccc(C[NH2+][C@H](C)c2ncc(Br)cn2)cc1 ZINC000569949066 567446844 /nfs/dbraw/zinc/44/68/44/567446844.db2.gz MARGGYZYRTZYAG-VXGBXAGGSA-N 1 2 394.269 3.030 10 0 GGAELO Cc1cc(C2CCN(C(=O)c3sc4c(c3Br)C[NH2+]C4)CC2)n[nH]1 ZINC000662543610 567447911 /nfs/dbraw/zinc/44/79/11/567447911.db2.gz WXYKUYZBDOHNGE-UHFFFAOYSA-N 1 2 395.326 3.165 10 0 GGAELO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@@H]1C[C@@]1(C)Br ZINC000528701310 567449771 /nfs/dbraw/zinc/44/97/71/567449771.db2.gz MWXSGTWTXAIVNJ-MAUKXSAKSA-N 1 2 380.330 3.320 10 0 GGAELO Cc1cn2c([nH+]1)CN(Cc1c(F)ccc(I)c1F)CC2 ZINC000619428737 567451992 /nfs/dbraw/zinc/45/19/92/567451992.db2.gz SPRGWSIZRBUSEQ-UHFFFAOYSA-N 1 2 389.187 3.090 10 0 GGAELO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]Cc1noc(Cc2ccc(Br)cc2)n1 ZINC000528756777 567453252 /nfs/dbraw/zinc/45/32/52/567453252.db2.gz OGSUADZKYWJMGI-UZTWBRENSA-N 1 2 380.286 3.324 10 0 GGAELO O=C(C[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000528781716 567454324 /nfs/dbraw/zinc/45/43/24/567454324.db2.gz CUORQZUEKZWUDC-PUXAFBORSA-N 1 2 394.846 3.283 10 0 GGAELO O=C(C[N@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000528781716 567454333 /nfs/dbraw/zinc/45/43/33/567454333.db2.gz CUORQZUEKZWUDC-PUXAFBORSA-N 1 2 394.846 3.283 10 0 GGAELO C[C@H]1C[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccc(I)cc1 ZINC000619458318 567454604 /nfs/dbraw/zinc/45/46/04/567454604.db2.gz CMUSBJZFBHVJIJ-MAZHCROVSA-N 1 2 398.288 3.028 10 0 GGAELO C[C@H]1C[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1ccc(I)cc1 ZINC000619458318 567454606 /nfs/dbraw/zinc/45/46/06/567454606.db2.gz CMUSBJZFBHVJIJ-MAZHCROVSA-N 1 2 398.288 3.028 10 0 GGAELO C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000528782529 567455012 /nfs/dbraw/zinc/45/50/12/567455012.db2.gz DOGQVDWVDFVYDH-MUDLARRYSA-N 1 2 375.321 3.306 10 0 GGAELO C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000528782529 567455016 /nfs/dbraw/zinc/45/50/16/567455016.db2.gz DOGQVDWVDFVYDH-MUDLARRYSA-N 1 2 375.321 3.306 10 0 GGAELO O=c1ccc([C@H]2CCC[N@H+]2Cc2cc3c(cc2Br)OCCO3)n[nH]1 ZINC000528787580 567456334 /nfs/dbraw/zinc/45/63/34/567456334.db2.gz AXIZXHQSQDVEFS-CQSZACIVSA-N 1 2 392.253 3.053 10 0 GGAELO O=c1ccc([C@H]2CCC[N@@H+]2Cc2cc3c(cc2Br)OCCO3)n[nH]1 ZINC000528787580 567456340 /nfs/dbraw/zinc/45/63/40/567456340.db2.gz AXIZXHQSQDVEFS-CQSZACIVSA-N 1 2 392.253 3.053 10 0 GGAELO O=C(C[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000528789590 567456462 /nfs/dbraw/zinc/45/64/62/567456462.db2.gz UGUJGHLSLCWTQD-PUXAFBORSA-N 1 2 394.846 3.283 10 0 GGAELO O=C(C[N@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000528789590 567456466 /nfs/dbraw/zinc/45/64/66/567456466.db2.gz UGUJGHLSLCWTQD-PUXAFBORSA-N 1 2 394.846 3.283 10 0 GGAELO C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000528784122 567456613 /nfs/dbraw/zinc/45/66/13/567456613.db2.gz JBFBSKLRAOXGNH-QXXUXMDWSA-N 1 2 375.321 3.306 10 0 GGAELO C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)[N@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000528784122 567456616 /nfs/dbraw/zinc/45/66/16/567456616.db2.gz JBFBSKLRAOXGNH-QXXUXMDWSA-N 1 2 375.321 3.306 10 0 GGAELO COc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(=O)[nH]n2)c(Br)c1OC ZINC000528791390 567456706 /nfs/dbraw/zinc/45/67/06/567456706.db2.gz PIQWUTHDLTXAMH-CYBMUJFWSA-N 1 2 394.269 3.299 10 0 GGAELO COc1ccc(C[N@H+]2CCC[C@@H]2c2ccc(=O)[nH]n2)c(Br)c1OC ZINC000528791390 567456710 /nfs/dbraw/zinc/45/67/10/567456710.db2.gz PIQWUTHDLTXAMH-CYBMUJFWSA-N 1 2 394.269 3.299 10 0 GGAELO O=c1ccc([C@@H]2CCC[N@H+]2Cc2nc3ccc(Br)cc3o2)n[nH]1 ZINC000528785225 567456847 /nfs/dbraw/zinc/45/68/47/567456847.db2.gz BCHUOQSVAXRGSY-ZDUSSCGKSA-N 1 2 375.226 3.423 10 0 GGAELO O=c1ccc([C@@H]2CCC[N@@H+]2Cc2nc3ccc(Br)cc3o2)n[nH]1 ZINC000528785225 567456851 /nfs/dbraw/zinc/45/68/51/567456851.db2.gz BCHUOQSVAXRGSY-ZDUSSCGKSA-N 1 2 375.226 3.423 10 0 GGAELO C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000528787442 567457005 /nfs/dbraw/zinc/45/70/05/567457005.db2.gz MSKXDYGOBQHYCM-MUDLARRYSA-N 1 2 375.321 3.306 10 0 GGAELO C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)[N@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000528787442 567457010 /nfs/dbraw/zinc/45/70/10/567457010.db2.gz MSKXDYGOBQHYCM-MUDLARRYSA-N 1 2 375.321 3.306 10 0 GGAELO O=c1ccc([C@@H]2CCC[N@H+]2Cc2ccc(I)cc2)n[nH]1 ZINC000528797157 567458504 /nfs/dbraw/zinc/45/85/04/567458504.db2.gz WBKZWVSLCWVVOG-AWEZNQCLSA-N 1 2 381.217 3.124 10 0 GGAELO O=c1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(I)cc2)n[nH]1 ZINC000528797157 567458509 /nfs/dbraw/zinc/45/85/09/567458509.db2.gz WBKZWVSLCWVVOG-AWEZNQCLSA-N 1 2 381.217 3.124 10 0 GGAELO C[C@@H](CC(F)(F)F)C(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000457376342 567462049 /nfs/dbraw/zinc/46/20/49/567462049.db2.gz BUSQODIXNCBTIW-ZDUSSCGKSA-N 1 2 378.822 3.452 10 0 GGAELO O=C(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)c1sc2ncccc2c1Cl ZINC000528845490 567462760 /nfs/dbraw/zinc/46/27/60/567462760.db2.gz ZEARQAQQKPAMCS-ZIAGYGMSSA-N 1 2 379.913 3.323 10 0 GGAELO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc(Br)cc(Cl)c1O ZINC000436911380 567463943 /nfs/dbraw/zinc/46/39/43/567463943.db2.gz QGDJTZOYEDTOER-SNVBAGLBSA-N 1 2 375.694 3.412 10 0 GGAELO C[C@@H]1CCCC[N@H+]1CCNC(=O)c1cc(Br)cc(Cl)c1O ZINC000436911380 567463947 /nfs/dbraw/zinc/46/39/47/567463947.db2.gz QGDJTZOYEDTOER-SNVBAGLBSA-N 1 2 375.694 3.412 10 0 GGAELO CC(C)Cn1cc[nH+]c1CNC(=O)Cc1c(F)ccc(Br)c1F ZINC000502997948 567464001 /nfs/dbraw/zinc/46/40/01/567464001.db2.gz GCEXWIPQZUFHAG-UHFFFAOYSA-N 1 2 386.240 3.439 10 0 GGAELO C[C@H]([NH2+][C@@H](C)c1ncc(Br)cn1)c1ccc(NS(C)(=O)=O)cc1 ZINC000550832295 567465240 /nfs/dbraw/zinc/46/52/40/567465240.db2.gz DRIVYTFDDKYUGT-QWRGUYRKSA-N 1 2 399.314 3.022 10 0 GGAELO CCN(CC)c1ccc(N[C@H](C)Cn2cc(Br)ccc2=O)c[nH+]1 ZINC000550921215 567467859 /nfs/dbraw/zinc/46/78/59/567467859.db2.gz OEJVMJDEIBOJGB-CYBMUJFWSA-N 1 2 379.302 3.353 10 0 GGAELO CCN(CC)c1ccc(N[C@@H](C)Cn2cc(Br)ccc2=O)c[nH+]1 ZINC000550921234 567467906 /nfs/dbraw/zinc/46/79/06/567467906.db2.gz OEJVMJDEIBOJGB-ZDUSSCGKSA-N 1 2 379.302 3.353 10 0 GGAELO C[C@@]1(Br)C[C@H]1C(=O)N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000528947610 567470995 /nfs/dbraw/zinc/47/09/95/567470995.db2.gz WNALKHQYQOXFKS-HNAYVOBHSA-N 1 2 388.309 3.184 10 0 GGAELO Cc1cc(Br)c(C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)s1 ZINC000457557274 567474292 /nfs/dbraw/zinc/47/42/92/567474292.db2.gz MYABWFLOMLSYPV-CYBMUJFWSA-N 1 2 387.343 3.146 10 0 GGAELO O=C(Nc1ccn2cc[nH+]c2c1)c1c(F)cccc1I ZINC000503259750 567476793 /nfs/dbraw/zinc/47/67/93/567476793.db2.gz MLQUWNRWEUMRMV-UHFFFAOYSA-N 1 2 381.148 3.330 10 0 GGAELO C[N@H+](CC(=O)N1CCO[C@H]2CCCC[C@H]21)Cc1csc(Br)c1 ZINC000619735217 567477354 /nfs/dbraw/zinc/47/73/54/567477354.db2.gz MOEVCRYSVZYZCG-KGLIPLIRSA-N 1 2 387.343 3.112 10 0 GGAELO C[N@@H+](CC(=O)N1CCO[C@H]2CCCC[C@H]21)Cc1csc(Br)c1 ZINC000619735217 567477357 /nfs/dbraw/zinc/47/73/57/567477357.db2.gz MOEVCRYSVZYZCG-KGLIPLIRSA-N 1 2 387.343 3.112 10 0 GGAELO C[N@H+](CC(=O)N1CCO[C@@H]2CCCC[C@H]21)Cc1csc(Br)c1 ZINC000619735218 567477749 /nfs/dbraw/zinc/47/77/49/567477749.db2.gz MOEVCRYSVZYZCG-ZIAGYGMSSA-N 1 2 387.343 3.112 10 0 GGAELO C[N@@H+](CC(=O)N1CCO[C@@H]2CCCC[C@H]21)Cc1csc(Br)c1 ZINC000619735218 567477753 /nfs/dbraw/zinc/47/77/53/567477753.db2.gz MOEVCRYSVZYZCG-ZIAGYGMSSA-N 1 2 387.343 3.112 10 0 GGAELO O=C(CCOCC(F)(F)C(F)(F)F)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000478724540 567479677 /nfs/dbraw/zinc/47/96/77/567479677.db2.gz PSIPKRYWIXXKCK-UHFFFAOYSA-N 1 2 385.720 3.208 10 0 GGAELO O=C(NCCCCNc1cccc[nH+]1)c1cc(Br)cc2[nH]cnc21 ZINC000503295953 567480120 /nfs/dbraw/zinc/48/01/20/567480120.db2.gz ILIOFDRBLJLAJX-UHFFFAOYSA-N 1 2 388.269 3.343 10 0 GGAELO C[C@H](C(=O)NCC(F)(F)F)N1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000642525027 567481103 /nfs/dbraw/zinc/48/11/03/567481103.db2.gz CGVQJWNYSBYWFB-QWHCGFSZSA-N 1 2 377.838 3.086 10 0 GGAELO CC(C)(C(N)=O)[NH+]1CCN(C(=O)Nc2cc(Cl)c(Cl)c(Cl)c2)CC1 ZINC000570400603 567481409 /nfs/dbraw/zinc/48/14/09/567481409.db2.gz AOHFCGRUNDQQQU-UHFFFAOYSA-N 1 2 393.702 3.060 10 0 GGAELO CCOc1cc(C[N@@H+]2CCCc3c(cnn3C)C2)cc(Br)c1O ZINC000570421570 567483160 /nfs/dbraw/zinc/48/31/60/567483160.db2.gz KVYYPJMBUOJACQ-UHFFFAOYSA-N 1 2 380.286 3.235 10 0 GGAELO C[N@@H+]1CC[C@H](NC(=O)c2cc(Br)co2)[C@@H]1c1ccc(F)c(F)c1 ZINC000457699478 567483758 /nfs/dbraw/zinc/48/37/58/567483758.db2.gz XRMDOSULIAGZHV-ZFWWWQNUSA-N 1 2 385.208 3.496 10 0 GGAELO C[N@H+]1CC[C@H](NC(=O)c2cc(Br)co2)[C@@H]1c1ccc(F)c(F)c1 ZINC000457699478 567483762 /nfs/dbraw/zinc/48/37/62/567483762.db2.gz XRMDOSULIAGZHV-ZFWWWQNUSA-N 1 2 385.208 3.496 10 0 GGAELO O=C(NCc1c[nH+]c[nH]1)c1cccnc1Oc1ccc(F)cc1Br ZINC000478825366 567485938 /nfs/dbraw/zinc/48/59/38/567485938.db2.gz IFTMQPRVAUYMEY-UHFFFAOYSA-N 1 2 391.200 3.429 10 0 GGAELO O=C(NCc1c[nH]c[nH+]1)c1cccnc1Oc1ccc(F)cc1Br ZINC000478825366 567485944 /nfs/dbraw/zinc/48/59/44/567485944.db2.gz IFTMQPRVAUYMEY-UHFFFAOYSA-N 1 2 391.200 3.429 10 0 GGAELO COC(=O)COc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1ncc(Br)cn1 ZINC000551212072 567487916 /nfs/dbraw/zinc/48/79/16/567487916.db2.gz RGNZZKYYZLPMQF-NEPJUHHUSA-N 1 2 394.269 3.203 10 0 GGAELO O=C(Cc1c(F)ccc(Br)c1F)N1CCC(n2cc[nH+]c2)CC1 ZINC000503487468 567488265 /nfs/dbraw/zinc/48/82/65/567488265.db2.gz NGZZUCHLOMCZRH-UHFFFAOYSA-N 1 2 384.224 3.330 10 0 GGAELO COC(=O)c1cc(C[NH2+][C@@H]2COc3cc(F)c(Br)cc32)c(C)o1 ZINC000594607771 567490159 /nfs/dbraw/zinc/49/01/59/567490159.db2.gz ZHBPVAQRDRVUHC-CYBMUJFWSA-N 1 2 384.201 3.500 10 0 GGAELO Cc1cc(Br)c(C[N@@H+](C)[C@@H]2CCN(C)C2=O)cc1Br ZINC000529530787 567525319 /nfs/dbraw/zinc/52/53/19/567525319.db2.gz LAKGWWUOMVOADJ-CYBMUJFWSA-N 1 2 390.119 3.183 10 0 GGAELO Cc1cc(Br)c(C[N@H+](C)[C@@H]2CCN(C)C2=O)cc1Br ZINC000529530787 567525325 /nfs/dbraw/zinc/52/53/25/567525325.db2.gz LAKGWWUOMVOADJ-CYBMUJFWSA-N 1 2 390.119 3.183 10 0 GGAELO Cc1ccc(CN2C(=O)N[C@@](C)(c3ccc(Br)s3)C2=O)c(C)[nH+]1 ZINC000478943700 567492057 /nfs/dbraw/zinc/49/20/57/567492057.db2.gz OBVMWECRCAPXRW-INIZCTEOSA-N 1 2 394.294 3.490 10 0 GGAELO O=C(N[C@@H]1[C@@H]2CCC[C@@H]21)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000503546807 567492927 /nfs/dbraw/zinc/49/29/27/567492927.db2.gz NJRSATABHHHDMP-MIFYACCESA-N 1 2 393.285 3.249 10 0 GGAELO Cc1cc(Br)cn2cc(CNc3nc4c(cccc4F)n3C)[nH+]c12 ZINC000503558011 567494361 /nfs/dbraw/zinc/49/43/61/567494361.db2.gz NALJRSXQWSWZCS-UHFFFAOYSA-N 1 2 388.244 3.465 10 0 GGAELO CN1C(=O)N([C@H]2CCc3[nH+]c[nH]c3C2)C(=O)[C@H]1c1cccc(Cl)c1Cl ZINC000663318759 567496507 /nfs/dbraw/zinc/49/65/07/567496507.db2.gz MQSSWMBSSIARNX-BJOHPYRUSA-N 1 2 379.247 3.209 10 0 GGAELO CN1C(=O)N([C@H]2CCc3[nH]c[nH+]c3C2)C(=O)[C@H]1c1cccc(Cl)c1Cl ZINC000663318759 567496513 /nfs/dbraw/zinc/49/65/13/567496513.db2.gz MQSSWMBSSIARNX-BJOHPYRUSA-N 1 2 379.247 3.209 10 0 GGAELO CO[C@H](C)c1nc(CNC(=O)NCc2cn3cc(Cl)ccc3[nH+]2)cs1 ZINC000437489500 567497362 /nfs/dbraw/zinc/49/73/62/567497362.db2.gz ZTPSEQKCOSLXPS-SNVBAGLBSA-N 1 2 379.873 3.151 10 0 GGAELO Cc1cc[nH+]cc1N1CCN(CC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000551315047 567497506 /nfs/dbraw/zinc/49/75/06/567497506.db2.gz LNJBNOFECDHOKZ-UHFFFAOYSA-N 1 2 379.291 3.458 10 0 GGAELO C[C@H](c1[nH+]ccn1C)N1C(=O)CN([C@H](C)c2cccc(Br)c2)C1=O ZINC000663329455 567498072 /nfs/dbraw/zinc/49/80/72/567498072.db2.gz XXOIKWMGSVPTGB-VXGBXAGGSA-N 1 2 391.269 3.269 10 0 GGAELO Cn1nc(-c2ccsc2)cc1NS(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000551385409 567502274 /nfs/dbraw/zinc/50/22/74/567502274.db2.gz KMZTVYWJJFTGOS-UHFFFAOYSA-N 1 2 376.507 3.011 10 0 GGAELO Cn1nccc1[C@H]1C[C@H](Nc2[nH+]ccc3cc(Br)ccc32)CCO1 ZINC000570686623 567505191 /nfs/dbraw/zinc/50/51/91/567505191.db2.gz LLENODANJVAEDY-RHSMWYFYSA-N 1 2 387.281 3.485 10 0 GGAELO Cn1nccc1[C@@H]1C[C@@H](Nc2[nH+]ccc3cc(Br)ccc32)CCO1 ZINC000570686625 567505480 /nfs/dbraw/zinc/50/54/80/567505480.db2.gz LLENODANJVAEDY-YOEHRIQHSA-N 1 2 387.281 3.485 10 0 GGAELO Cn1cc[nH+]c1[C@H](NC(=O)NCc1ccc(Cl)cc1Cl)C(C)(C)CO ZINC000663410938 567505802 /nfs/dbraw/zinc/50/58/02/567505802.db2.gz GZCZQSXKYSXHLU-AWEZNQCLSA-N 1 2 385.295 3.286 10 0 GGAELO C[C@H](CCc1ccc(Br)cc1)NC(=O)NCCc1cn(C)c[nH+]1 ZINC000457933386 567505917 /nfs/dbraw/zinc/50/59/17/567505917.db2.gz DPANGPLMUZGUSK-CYBMUJFWSA-N 1 2 379.302 3.046 10 0 GGAELO C[C@H](NC(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)[C@H](C)[NH+]1CCOCC1 ZINC000437750643 567506523 /nfs/dbraw/zinc/50/65/23/567506523.db2.gz UJQSXFDOWLFTMM-WXRXAMBDSA-N 1 2 386.323 3.258 10 0 GGAELO C[C@@H](NC(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)[C@@H](C)[NH+]1CCOCC1 ZINC000437750638 567506705 /nfs/dbraw/zinc/50/67/05/567506705.db2.gz UJQSXFDOWLFTMM-BKBUGSPTSA-N 1 2 386.323 3.258 10 0 GGAELO CC1(C)COCC[N@@H+]1CCNC(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000437757142 567508125 /nfs/dbraw/zinc/50/81/25/567508125.db2.gz IHRLQKONSHWVPY-GOEBONIOSA-N 1 2 386.323 3.259 10 0 GGAELO CC1(C)COCC[N@H+]1CCNC(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000437757142 567508130 /nfs/dbraw/zinc/50/81/30/567508130.db2.gz IHRLQKONSHWVPY-GOEBONIOSA-N 1 2 386.323 3.259 10 0 GGAELO COCc1n[nH]c(C[NH2+][C@@H]2CCCSc3ccc(Br)cc32)n1 ZINC000663450749 567510552 /nfs/dbraw/zinc/51/05/52/567510552.db2.gz BKSQCUXILHBMKD-GFCCVEGCSA-N 1 2 383.315 3.430 10 0 GGAELO Cc1nc(NC2CCN(C(=O)CC(F)(F)F)CC2)c(Br)c(C)[nH+]1 ZINC000663527433 567515338 /nfs/dbraw/zinc/51/53/38/567515338.db2.gz HHJBIYLTBOJUTQ-UHFFFAOYSA-N 1 2 395.223 3.211 10 0 GGAELO FC(F)(F)Cn1cc[nH+]c1CNc1nc(C2CC2)ncc1Br ZINC000663534775 567515494 /nfs/dbraw/zinc/51/54/94/567515494.db2.gz GJQRFJIFMUAZJT-UHFFFAOYSA-N 1 2 376.180 3.487 10 0 GGAELO CCOC(=O)c1cnn(Cc2cn3cc(Br)ccc3[nH+]2)c1C(F)F ZINC000479253562 567518803 /nfs/dbraw/zinc/51/88/03/567518803.db2.gz VGYHNLSZRFPEHC-UHFFFAOYSA-N 1 2 399.195 3.456 10 0 GGAELO O=C(c1cccc(Br)c1O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000570897055 567521184 /nfs/dbraw/zinc/52/11/84/567521184.db2.gz BPZIZAATSPHGHH-UHFFFAOYSA-N 1 2 375.266 3.113 10 0 GGAELO Cn1c[nH+]c(CCNC(=O)N2CCC[C@H]2c2ccc(Br)cc2)c1 ZINC000570925003 567524290 /nfs/dbraw/zinc/52/42/90/567524290.db2.gz VJFPXHLVTSVQNE-INIZCTEOSA-N 1 2 377.286 3.272 10 0 GGAELO Fc1cc(Br)cnc1C[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000529520854 567524555 /nfs/dbraw/zinc/52/45/55/567524555.db2.gz PALLOVMFGCEKDM-UHFFFAOYSA-N 1 2 390.260 3.406 10 0 GGAELO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)Cc1ccsc1Br ZINC000529526132 567525810 /nfs/dbraw/zinc/52/58/10/567525810.db2.gz RRAKCMAESIKXMA-SNVBAGLBSA-N 1 2 389.340 3.351 10 0 GGAELO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)Cc1ccsc1Br ZINC000529526132 567525813 /nfs/dbraw/zinc/52/58/13/567525813.db2.gz RRAKCMAESIKXMA-SNVBAGLBSA-N 1 2 389.340 3.351 10 0 GGAELO COc1ncc(C(=O)N2CC[NH+](Cc3ccccc3Cl)CC2)cc1Cl ZINC000551649041 567526080 /nfs/dbraw/zinc/52/60/80/567526080.db2.gz XSUJLAJWSWPDML-UHFFFAOYSA-N 1 2 380.275 3.355 10 0 GGAELO C[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000479336725 567526255 /nfs/dbraw/zinc/52/62/55/567526255.db2.gz WDWSXGFVTGTKGY-DLBZAZTESA-N 1 2 386.851 3.342 10 0 GGAELO C[N@H+]1CC[C@H](NS(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000479336725 567526257 /nfs/dbraw/zinc/52/62/57/567526257.db2.gz WDWSXGFVTGTKGY-DLBZAZTESA-N 1 2 386.851 3.342 10 0 GGAELO Cc1nc(N[C@@H](C)Cn2ncc3ccccc3c2=O)c(Br)c(C)[nH+]1 ZINC000663755554 567526841 /nfs/dbraw/zinc/52/68/41/567526841.db2.gz CYISMRXIDORUFQ-JTQLQIEISA-N 1 2 388.269 3.066 10 0 GGAELO Cc1cc(C[NH2+]Cc2cc(Cl)ccc2I)nn1C ZINC000594957217 567528995 /nfs/dbraw/zinc/52/89/95/567528995.db2.gz QCUCNPLCOAAISC-UHFFFAOYSA-N 1 2 375.641 3.276 10 0 GGAELO C[C@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2I)c2ncnn21 ZINC000594956707 567529479 /nfs/dbraw/zinc/52/94/79/567529479.db2.gz KVNQDXMRBVCAAL-UFBFGSQYSA-N 1 2 388.640 3.332 10 0 GGAELO CC[N@H+](Cc1cc(Br)c(C)cc1Br)[C@@H]1CCNC1=O ZINC000529554921 567531332 /nfs/dbraw/zinc/53/13/32/567531332.db2.gz GNSPEVLDXBESNL-CYBMUJFWSA-N 1 2 390.119 3.230 10 0 GGAELO CC[N@@H+](Cc1cc(Br)c(C)cc1Br)[C@@H]1CCNC1=O ZINC000529554921 567531338 /nfs/dbraw/zinc/53/13/38/567531338.db2.gz GNSPEVLDXBESNL-CYBMUJFWSA-N 1 2 390.119 3.230 10 0 GGAELO C[C@H](NCc1c(F)ccc(I)c1F)c1[nH+]ccn1C ZINC000594995990 567533147 /nfs/dbraw/zinc/53/31/47/567533147.db2.gz PSVRWGXBOWOXTM-QMMMGPOBSA-N 1 2 377.176 3.154 10 0 GGAELO Brc1ccc(-c2n[nH]cc2C[N@@H+]2CCO[C@@]3(CCCOC3)C2)s1 ZINC000529563830 567532571 /nfs/dbraw/zinc/53/25/71/567532571.db2.gz BMDLWVPKLDSQGW-INIZCTEOSA-N 1 2 398.326 3.282 10 0 GGAELO Brc1ccc(-c2n[nH]cc2C[N@H+]2CCO[C@@]3(CCCOC3)C2)s1 ZINC000529563830 567532577 /nfs/dbraw/zinc/53/25/77/567532577.db2.gz BMDLWVPKLDSQGW-INIZCTEOSA-N 1 2 398.326 3.282 10 0 GGAELO Cn1c[nH+]c(CCNC(=O)NCC(C)(C)c2cccc(Br)c2)c1 ZINC000458237613 567533642 /nfs/dbraw/zinc/53/36/42/567533642.db2.gz XGNDMYPEIRUWDK-UHFFFAOYSA-N 1 2 379.302 3.002 10 0 GGAELO C[N@@H+]1CC[C@H](NS(=O)(=O)c2cccc(Cl)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000479410303 567533685 /nfs/dbraw/zinc/53/36/85/567533685.db2.gz QZJOZOGMVWETSB-DLBZAZTESA-N 1 2 386.851 3.342 10 0 GGAELO C[N@H+]1CC[C@H](NS(=O)(=O)c2cccc(Cl)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000479410303 567533688 /nfs/dbraw/zinc/53/36/88/567533688.db2.gz QZJOZOGMVWETSB-DLBZAZTESA-N 1 2 386.851 3.342 10 0 GGAELO CC(C)Oc1cc(Cl)c(C[N@H+](C)[C@H]2CCN(S(C)(=O)=O)C2)cc1Cl ZINC000529583208 567533754 /nfs/dbraw/zinc/53/37/54/567533754.db2.gz XXFQNJRJOZCULZ-ZDUSSCGKSA-N 1 2 395.352 3.246 10 0 GGAELO CC(C)Oc1cc(Cl)c(C[N@@H+](C)[C@H]2CCN(S(C)(=O)=O)C2)cc1Cl ZINC000529583208 567533758 /nfs/dbraw/zinc/53/37/58/567533758.db2.gz XXFQNJRJOZCULZ-ZDUSSCGKSA-N 1 2 395.352 3.246 10 0 GGAELO O=C1NCCC[N@@H+](Cc2ccsc2Br)[C@H]1Cc1ccccc1 ZINC000529593649 567533789 /nfs/dbraw/zinc/53/37/89/567533789.db2.gz WRFNHFZGVAYPCY-HNNXBMFYSA-N 1 2 379.323 3.444 10 0 GGAELO O=C1NCCC[N@H+](Cc2ccsc2Br)[C@H]1Cc1ccccc1 ZINC000529593649 567533790 /nfs/dbraw/zinc/53/37/90/567533790.db2.gz WRFNHFZGVAYPCY-HNNXBMFYSA-N 1 2 379.323 3.444 10 0 GGAELO Brc1sccc1CN(CC[NH+]1CCOCC1)Cc1ccco1 ZINC000529596307 567533827 /nfs/dbraw/zinc/53/38/27/567533827.db2.gz JUJRUPOBLPXLSD-UHFFFAOYSA-N 1 2 385.327 3.438 10 0 GGAELO Cc1[nH]c2ccc(Br)cc2c1CC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000551779835 567533912 /nfs/dbraw/zinc/53/39/12/567533912.db2.gz XXDNCBOJTDIBOA-LBPRGKRZSA-N 1 2 387.281 3.178 10 0 GGAELO Cc1[nH]c2ccc(Br)cc2c1CC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000551779835 567533918 /nfs/dbraw/zinc/53/39/18/567533918.db2.gz XXDNCBOJTDIBOA-LBPRGKRZSA-N 1 2 387.281 3.178 10 0 GGAELO Cc1nn(C(C)C)cc1CNc1[nH]c2ccc(I)cc2[nH+]1 ZINC000594999249 567534059 /nfs/dbraw/zinc/53/40/59/567534059.db2.gz BAYQSEVKVKBWDQ-UHFFFAOYSA-N 1 2 395.248 3.287 10 0 GGAELO Cc1nn(C(C)C)cc1CNc1[nH]c2cc(I)ccc2[nH+]1 ZINC000594999249 567534060 /nfs/dbraw/zinc/53/40/60/567534060.db2.gz BAYQSEVKVKBWDQ-UHFFFAOYSA-N 1 2 395.248 3.287 10 0 GGAELO COc1cc(NCc2cnc(-c3ccncc3)s2)[nH+]cc1Br ZINC000551827502 567538069 /nfs/dbraw/zinc/53/80/69/567538069.db2.gz TYHDKCAERPRZBH-UHFFFAOYSA-N 1 2 377.267 3.405 10 0 GGAELO Cn1c[nH+]c(CCNC(=O)NC(C)(C)Cc2ccc(Br)cc2)c1 ZINC000458284429 567538138 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CCc1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)s1 ZINC000479490788 567539372 /nfs/dbraw/zinc/53/93/72/567539372.db2.gz VTOIHMKVOSGYIY-NVXWUHKLSA-N 1 2 386.489 3.312 10 0 GGAELO CCOc1cc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)cc(Br)c1O ZINC000529682828 567539350 /nfs/dbraw/zinc/53/93/50/567539350.db2.gz RBDCTTFWEKMACZ-GPAUDHNESA-N 1 2 388.327 3.039 10 0 GGAELO CCOc1cc(C[N@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)cc(Br)c1O ZINC000529682828 567539357 /nfs/dbraw/zinc/53/93/57/567539357.db2.gz RBDCTTFWEKMACZ-GPAUDHNESA-N 1 2 388.327 3.039 10 0 GGAELO O=C(C[N@H+]1CCSC[C@@H]1CCO)Nc1ccc(Cl)cc1C(F)(F)F ZINC000438649229 567540366 /nfs/dbraw/zinc/54/03/66/567540366.db2.gz TVKPBVALXONVRG-NSHDSACASA-N 1 2 382.835 3.097 10 0 GGAELO O=C(C[N@@H+]1CCSC[C@@H]1CCO)Nc1ccc(Cl)cc1C(F)(F)F ZINC000438649229 567540372 /nfs/dbraw/zinc/54/03/72/567540372.db2.gz TVKPBVALXONVRG-NSHDSACASA-N 1 2 382.835 3.097 10 0 GGAELO C[C@H](CNC(=O)NCCc1cn(C)c[nH+]1)Sc1ccc(Br)cc1 ZINC000458379415 567543851 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CC1(C)C[N@H+](CCNC(=O)CSc2cccc(C(F)(F)F)c2)CCO1 ZINC000505600020 567586546 /nfs/dbraw/zinc/58/65/46/567586546.db2.gz RNPXHWKIRZAAEP-UHFFFAOYSA-N 1 2 376.444 3.025 10 0 GGAELO CC1(C)C[N@@H+](CCNC(=O)CSc2cccc(C(F)(F)F)c2)CCO1 ZINC000505600020 567586554 /nfs/dbraw/zinc/58/65/54/567586554.db2.gz RNPXHWKIRZAAEP-UHFFFAOYSA-N 1 2 376.444 3.025 10 0 GGAELO O=C(NCC(F)(F)c1ccc(Br)cc1)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000621456463 567587268 /nfs/dbraw/zinc/58/72/68/567587268.db2.gz IEPWYENHCUNQQV-LBPRGKRZSA-N 1 2 399.239 3.121 10 0 GGAELO O=C(NCC(F)(F)c1ccc(Br)cc1)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000621456463 567587276 /nfs/dbraw/zinc/58/72/76/567587276.db2.gz IEPWYENHCUNQQV-LBPRGKRZSA-N 1 2 399.239 3.121 10 0 GGAELO O=C(NCC(F)(F)c1ccc(Br)cc1)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000621456462 567587500 /nfs/dbraw/zinc/58/75/00/567587500.db2.gz IEPWYENHCUNQQV-GFCCVEGCSA-N 1 2 399.239 3.121 10 0 GGAELO O=C(NCC(F)(F)c1ccc(Br)cc1)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000621456462 567587505 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CC[C@@H]1C[C@@H](C[N@@H+]2CCNC(=O)[C@H]2c2ccccc2Br)CCO1 ZINC000507789433 567705456 /nfs/dbraw/zinc/70/54/56/567705456.db2.gz AAQZPQRXFSCKKM-JJRVBVJISA-N 1 2 381.314 3.127 10 0 GGAELO CC[C@@H]1C[C@@H](C[N@H+]2CCNC(=O)[C@H]2c2ccccc2Br)CCO1 ZINC000507789433 567705459 /nfs/dbraw/zinc/70/54/59/567705459.db2.gz AAQZPQRXFSCKKM-JJRVBVJISA-N 1 2 381.314 3.127 10 0 GGAELO C[C@@H](Cn1cc[nH+]c1)NC(=O)NCC/C=C\c1ccc(Br)cc1 ZINC000623477753 567713491 /nfs/dbraw/zinc/71/34/91/567713491.db2.gz RCGMLDPYOMAVRG-XBPVQUQDSA-N 1 2 377.286 3.437 10 0 GGAELO CCCCN(CC(F)(F)F)S(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000442911189 567717404 /nfs/dbraw/zinc/71/74/04/567717404.db2.gz DZOIPWNFCFADHP-UHFFFAOYSA-N 1 2 375.416 3.285 10 0 GGAELO O=C([C@H]1C[C@@]12CCOC2)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000461062774 567718372 /nfs/dbraw/zinc/71/83/72/567718372.db2.gz UTKLVPLYCIZKGY-DNVCBOLYSA-N 1 2 383.319 3.107 10 0 GGAELO CCS[C@@H]1CCCCN(S(=O)(=O)c2ccccc2Cn2cc[nH+]c2)C1 ZINC000442945261 567718612 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GGAELO CC[N@H+]1CC[C@H](NS(=O)(=O)CC(C)(C)C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000443039259 567725585 /nfs/dbraw/zinc/72/55/85/567725585.db2.gz HIKZBISADPHSFG-HOCLYGCPSA-N 1 2 378.460 3.205 10 0 GGAELO C[C@@H]1C[C@@H](c2ccc(Br)cc2)CN1C(=O)NCc1[nH+]ccn1C ZINC000623632781 567726578 /nfs/dbraw/zinc/72/65/78/567726578.db2.gz ODPSVBOTNBUYQN-TZMCWYRMSA-N 1 2 377.286 3.270 10 0 GGAELO CN(CC1(c2ccc(Br)cc2)CC1)C(=O)NCCc1cn(C)c[nH+]1 ZINC000573686332 567730279 /nfs/dbraw/zinc/73/02/79/567730279.db2.gz UOIXPPKBEUDEED-UHFFFAOYSA-N 1 2 391.313 3.098 10 0 GGAELO CCC(F)(F)C[NH2+]Cc1cc(Br)ccc1O[C@H](C)C(=O)NC ZINC000623678895 567730622 /nfs/dbraw/zinc/73/06/22/567730622.db2.gz AIUZEYDKAZLSPB-SNVBAGLBSA-N 1 2 379.245 3.097 10 0 GGAELO COc1cc(N2CC[NH+]([C@H](C)c3ccccc3Br)CC2)ncn1 ZINC000461351135 567732232 /nfs/dbraw/zinc/73/22/32/567732232.db2.gz HSGOWFDZSASHMY-CYBMUJFWSA-N 1 2 377.286 3.131 10 0 GGAELO CC[C@@](C)(NC(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1)C1CC1 ZINC000667213568 567735858 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3.342 10 0 GGAELO C[C@@H](CCCC(F)(F)F)NS(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000443192013 567739124 /nfs/dbraw/zinc/73/91/24/567739124.db2.gz IJYBKDWNLJSOJS-ZDUSSCGKSA-N 1 2 375.416 3.331 10 0 GGAELO CC(C)[C@@H](CC(F)(F)F)NS(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000443216168 567739652 /nfs/dbraw/zinc/73/96/52/567739652.db2.gz OSDDBRKETAUTDT-CQSZACIVSA-N 1 2 375.416 3.187 10 0 GGAELO CC[C@@H](C)[C@H](NS(=O)(=O)c1ccccc1Cn1cc[nH+]c1)C(F)(F)F ZINC000443205598 567740041 /nfs/dbraw/zinc/74/00/41/567740041.db2.gz DAAZMAAKXRWHOJ-DOMZBBRYSA-N 1 2 375.416 3.187 10 0 GGAELO Cc1nc(S(=O)(=O)N[C@@H](c2[nH+]ccn2C)c2ccc(Cl)cc2)sc1C ZINC000532933666 567743663 /nfs/dbraw/zinc/74/36/63/567743663.db2.gz PZGCMWDPPPCLQQ-CQSZACIVSA-N 1 2 396.925 3.215 10 0 GGAELO Cc1cc[nH+]cc1N1CCN(S(=O)(=O)c2ccc(C(C)(C)C)s2)CC1 ZINC000461796476 567750033 /nfs/dbraw/zinc/75/00/33/567750033.db2.gz IPJFLEUPRLWKRC-UHFFFAOYSA-N 1 2 379.551 3.260 10 0 GGAELO O=C(c1cccc(Cl)c1Cl)N1CC[NH+](Cc2cnn3c2CCC3)CC1 ZINC000667502537 567751667 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ZINC000667533046 567755583 /nfs/dbraw/zinc/75/55/83/567755583.db2.gz DBMYTMBVOMCORP-UHFFFAOYSA-N 1 2 384.293 3.208 10 0 GGAELO COc1ccccc1C[NH+]1CCN(Cc2c(F)cncc2Br)CC1 ZINC000667593034 567758023 /nfs/dbraw/zinc/75/80/23/567758023.db2.gz NTZKVBJINJMMAI-UHFFFAOYSA-N 1 2 394.288 3.310 10 0 GGAELO C[C@H](Nc1cc[nH+]c(C2CC2)n1)c1ccc(Br)cc1OCCCO ZINC000462000175 567758340 /nfs/dbraw/zinc/75/83/40/567758340.db2.gz ONECECGBLRPIFO-LBPRGKRZSA-N 1 2 392.297 3.473 10 0 GGAELO COC(=O)c1cc(Br)cc(C(=O)Nc2ccc3[nH+]c(C)cn3c2)c1 ZINC000462021787 567759839 /nfs/dbraw/zinc/75/98/39/567759839.db2.gz YCFUAVYOLRWWOL-UHFFFAOYSA-N 1 2 388.221 3.444 10 0 GGAELO Cn1nc(C(F)(F)F)cc1C[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000667622973 567760582 /nfs/dbraw/zinc/76/05/82/567760582.db2.gz FQMRHPOYHXDZIM-UHFFFAOYSA-N 1 2 392.223 3.235 10 0 GGAELO C[C@@H](c1cccnc1)[NH+]1CCN(Cc2c(F)cncc2Br)CC1 ZINC000667637164 567760691 /nfs/dbraw/zinc/76/06/91/567760691.db2.gz KIVNORKZNDXPLK-ZDUSSCGKSA-N 1 2 379.277 3.257 10 0 GGAELO COc1cc(C[N@H+](C)CC(=O)Nc2nc(C)cs2)c(SC)cc1OC ZINC000533291966 567761882 /nfs/dbraw/zinc/76/18/82/567761882.db2.gz MUCTZCZIIXGMBI-UHFFFAOYSA-N 1 2 381.523 3.261 10 0 GGAELO COc1cc(C[N@@H+](C)CC(=O)Nc2nc(C)cs2)c(SC)cc1OC ZINC000533291966 567761884 /nfs/dbraw/zinc/76/18/84/567761884.db2.gz MUCTZCZIIXGMBI-UHFFFAOYSA-N 1 2 381.523 3.261 10 0 GGAELO CN(C)c1nc(C[NH2+]C2(c3cccc(Br)c3)CCOCC2)ns1 ZINC000533348648 567765515 /nfs/dbraw/zinc/76/55/15/567765515.db2.gz IWRCOGKJENCUHJ-UHFFFAOYSA-N 1 2 397.342 3.162 10 0 GGAELO O=C(NCCSCC(F)(F)F)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000443574348 567766576 /nfs/dbraw/zinc/76/65/76/567766576.db2.gz JIUCEGSNFGTRSY-UHFFFAOYSA-N 1 2 395.878 3.293 10 0 GGAELO O=C(NCCSCC(F)(F)F)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000443574348 567766580 /nfs/dbraw/zinc/76/65/80/567766580.db2.gz JIUCEGSNFGTRSY-UHFFFAOYSA-N 1 2 395.878 3.293 10 0 GGAELO Cc1nc(C)c(CNC(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)s1 ZINC000443553342 567766848 /nfs/dbraw/zinc/76/68/48/567766848.db2.gz 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567770162 /nfs/dbraw/zinc/77/01/62/567770162.db2.gz STRIDIAXNZBLBL-LBPRGKRZSA-N 1 2 377.897 3.377 10 0 GGAELO O=C(C[N@@H+]1CC[C@H](Oc2ccccc2Cl)C1)Nc1nc2c(s1)CCC2 ZINC000443641007 567770165 /nfs/dbraw/zinc/77/01/65/567770165.db2.gz STRIDIAXNZBLBL-LBPRGKRZSA-N 1 2 377.897 3.377 10 0 GGAELO COc1ccc(Br)cc1C1(NCc2c[nH+]c(N(C)C)n2C)CC1 ZINC000647223886 567772436 /nfs/dbraw/zinc/77/24/36/567772436.db2.gz ZUSZTZBBTKKECB-UHFFFAOYSA-N 1 2 379.302 3.036 10 0 GGAELO C[N@H+](CCC(F)(F)F)[C@H](CNC(=O)C1CC(=O)C1)c1ccc(Cl)cc1 ZINC000574345133 567773673 /nfs/dbraw/zinc/77/36/73/567773673.db2.gz VKFKPGOVVLJFGQ-OAHLLOKOSA-N 1 2 376.806 3.361 10 0 GGAELO C[N@@H+](CCC(F)(F)F)[C@H](CNC(=O)C1CC(=O)C1)c1ccc(Cl)cc1 ZINC000574345133 567773677 /nfs/dbraw/zinc/77/36/77/567773677.db2.gz VKFKPGOVVLJFGQ-OAHLLOKOSA-N 1 2 376.806 3.361 10 0 GGAELO C[C@@H](C(=O)N1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1)[NH+]1CCSCC1 ZINC000533548447 567774323 /nfs/dbraw/zinc/77/43/23/567774323.db2.gz AVPUISCJQPMAKL-BLLLJJGKSA-N 1 2 378.929 3.317 10 0 GGAELO C[C@H]([NH2+]CC(=O)Nc1ccc(Br)cc1)c1cc2n(n1)CCCC2 ZINC000647285756 567778167 /nfs/dbraw/zinc/77/81/67/567778167.db2.gz QBWDZLHZWWODFB-LBPRGKRZSA-N 1 2 377.286 3.271 10 0 GGAELO CO[C@@H]1CC[C@@H]2OCC[N@H+](CC[S@@](=O)c3cc(Cl)ccc3Cl)[C@@H]2C1 ZINC000533669824 567780919 /nfs/dbraw/zinc/78/09/19/567780919.db2.gz LXDRIAUJGKBWIH-NOXSODNZSA-N 1 2 392.348 3.369 10 0 GGAELO CO[C@@H]1CC[C@@H]2OCC[N@@H+](CC[S@@](=O)c3cc(Cl)ccc3Cl)[C@@H]2C1 ZINC000533669824 567780927 /nfs/dbraw/zinc/78/09/27/567780927.db2.gz LXDRIAUJGKBWIH-NOXSODNZSA-N 1 2 392.348 3.369 10 0 GGAELO Cn1ccnc1[C@@H]1C[C@@H](Nc2[nH+]ccc3cc(Br)ccc32)CCO1 ZINC000574542290 567783799 /nfs/dbraw/zinc/78/37/99/567783799.db2.gz KVGSRJWTDFVWCL-HOCLYGCPSA-N 1 2 387.281 3.485 10 0 GGAELO Cn1ccnc1[C@H]1C[C@H](Nc2[nH+]ccc3cc(Br)ccc32)CCO1 ZINC000574542288 567784537 /nfs/dbraw/zinc/78/45/37/567784537.db2.gz KVGSRJWTDFVWCL-GDBMZVCRSA-N 1 2 387.281 3.485 10 0 GGAELO COc1cc(Br)ccc1[C@H]1CCCN1c1[nH+]cnc2c1cnn2C ZINC000624529065 567785259 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CC[NH+](CC)Cc1nc(C2(NCc3ccc(NC(C)=O)cc3)CCCC2)no1 ZINC000123080434 1414635911 /nfs/dbraw/zinc/63/59/11/1414635911.db2.gz GKYBERWINPMRLM-UHFFFAOYSA-N 1 2 385.512 3.429 10 0 GGAELO C[C@H]1CCN(C(=O)CNC(=O)CC23CC4CC(CC(C4)C2)C3)C[C@H]1n1cc[nH+]c1 ZINC000123121029 1414646794 /nfs/dbraw/zinc/64/67/94/1414646794.db2.gz FBHIPXYJXNLAIC-GWZYHKFFSA-N 1 2 398.551 3.015 10 0 GGAELO CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000123276870 1414685644 /nfs/dbraw/zinc/68/56/44/1414685644.db2.gz GCOGRAXXLMINNF-HOJAQTOUSA-N 1 2 398.507 3.244 10 0 GGAELO COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]c1ccc(N2CCNC(=O)C2)cc1)CC3 ZINC000123547603 1414769936 /nfs/dbraw/zinc/76/99/36/1414769936.db2.gz DVHDUNMPTZUVPV-INIZCTEOSA-N 1 2 390.487 3.082 10 0 GGAELO C[C@@H]1CCN(C(=O)CCNC(=O)c2ccc(C(C)(C)C)cc2)C[C@H]1n1cc[nH+]c1 ZINC000123916107 1414849114 /nfs/dbraw/zinc/84/91/14/1414849114.db2.gz AMFDINMXUGWJSS-YLJYHZDGSA-N 1 2 396.535 3.410 10 0 GGAELO 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CC(=O)CCc1ccc(OCCC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000125566487 1415227947 /nfs/dbraw/zinc/22/79/47/1415227947.db2.gz BMBMUXILIBVAFS-UTKZUKDTSA-N 1 2 383.492 3.283 10 0 GGAELO Cc1ccc(C(=O)N2CCC[C@@H](C(=O)N3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)C2)cc1 ZINC000125585447 1415231951 /nfs/dbraw/zinc/23/19/51/1415231951.db2.gz HSVBZPKTQUEJRK-CEWLAPEOSA-N 1 2 394.519 3.153 10 0 GGAELO C[C@@H]1CCN(C(=O)CCC(=O)CCC(=O)c2cccs2)C[C@@H]1n1cc[nH+]c1 ZINC000125619367 1415239478 /nfs/dbraw/zinc/23/94/78/1415239478.db2.gz DEKPPQQJIUDSNF-WBVHZDCISA-N 1 2 387.505 3.367 10 0 GGAELO CC(=O)Nc1cccc(NC(=O)[C@@H](C)[NH+]2CCN(c3cccc(C)c3C)CC2)c1 ZINC000125922250 1415314010 /nfs/dbraw/zinc/31/40/10/1415314010.db2.gz AWSHUYUEAZJUAN-GOSISDBHSA-N 1 2 394.519 3.411 10 0 GGAELO CC(C)[C@H](C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)S(=O)(=O)C1CCCCC1 ZINC000126284373 1415402850 /nfs/dbraw/zinc/40/28/50/1415402850.db2.gz CDGMWKVMSAXXRM-YTQUADARSA-N 1 2 395.569 3.065 10 0 GGAELO CSCc1nc2ccccc2n1CC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000126398917 1415438283 /nfs/dbraw/zinc/43/82/83/1415438283.db2.gz FWMHHOSNJOLYMP-CRAIPNDOSA-N 1 2 383.521 3.206 10 0 GGAELO CCN(CC)C(=O)c1ccc(NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000127561298 1415810065 /nfs/dbraw/zinc/81/00/65/1415810065.db2.gz FWLXVMAUVISVED-LPHOPBHVSA-N 1 2 383.496 3.480 10 0 GGAELO C[C@@H]1CN(c2ccccc2NC(=O)NCc2ccn3cc[nH+]c3c2)C[C@H](C)O1 ZINC000178180885 1429009865 /nfs/dbraw/zinc/00/98/65/1429009865.db2.gz BFEYGDOWNSSNMD-IYBDPMFKSA-N 1 2 379.464 3.270 10 0 GGAELO Cc1ccc(C(=O)NC2CC2)cc1NC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000128399832 1415979062 /nfs/dbraw/zinc/97/90/62/1415979062.db2.gz BNSAFQKGRNCMMN-HNAYVOBHSA-N 1 2 381.480 3.199 10 0 GGAELO Cc1ccc(C(=O)NC2CC2)cc1NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000128400053 1415979451 /nfs/dbraw/zinc/97/94/51/1415979451.db2.gz BNSAFQKGRNCMMN-DNVCBOLYSA-N 1 2 381.480 3.199 10 0 GGAELO CNC(=O)c1ccc(Cl)c(NC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000128576098 1416016951 /nfs/dbraw/zinc/01/69/51/1416016951.db2.gz GKFRWCSSTBOKDW-WBMJQRKESA-N 1 2 375.860 3.011 10 0 GGAELO CC(C)(C)NC(=O)c1cccc(NC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000128670300 1416038588 /nfs/dbraw/zinc/03/85/88/1416038588.db2.gz IBZHEFKOGBAMFI-GOSISDBHSA-N 1 2 382.464 3.295 10 0 GGAELO CC(C)[C@H]([NH2+]Cc1cc(Br)ccc1F)c1nc(-c2nc[nH]n2)no1 ZINC000129092464 1416143360 /nfs/dbraw/zinc/14/33/60/1416143360.db2.gz CWBOGZMULURBIP-LBPRGKRZSA-N 1 2 395.236 3.243 10 0 GGAELO COc1cc(C[NH2+][C@H](c2nc(-c3nc[nH]n3)no2)C(C)C)cc(Cl)c1OC ZINC000129191397 1416167092 /nfs/dbraw/zinc/16/70/92/1416167092.db2.gz FTVFNHOWRNIRSS-ZDUSSCGKSA-N 1 2 392.847 3.012 10 0 GGAELO CN1C(=O)C[C@H](C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)[C@H]1c1ccc(F)cc1 ZINC000129423224 1416206964 /nfs/dbraw/zinc/20/69/64/1416206964.db2.gz BYVMLCYLHOBWPI-AZUAARDMSA-N 1 2 378.407 3.170 10 0 GGAELO CC(=O)N1CCCc2cc(NC(=O)N3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)ccc21 ZINC000129477145 1416215823 /nfs/dbraw/zinc/21/58/23/1416215823.db2.gz CQDPPGAYYHGKQP-MGPUTAFESA-N 1 2 381.480 3.297 10 0 GGAELO OCC1CCN(c2ccc(NCc3csc(-c4ccccn4)n3)[nH+]c2)CC1 ZINC000150924183 1417836265 /nfs/dbraw/zinc/83/62/65/1417836265.db2.gz FFRXAJNOJRZERA-UHFFFAOYSA-N 1 2 381.505 3.421 10 0 GGAELO OCC1CCN(c2ccc(NCc3ccc(Oc4cnccn4)cc3)[nH+]c2)CC1 ZINC000150933764 1417838653 /nfs/dbraw/zinc/83/86/53/1417838653.db2.gz BXYVXBKOPKJFCK-UHFFFAOYSA-N 1 2 391.475 3.485 10 0 GGAELO O=C(Nc1ccc(-c2ccccc2)cc1)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000151383227 1417943316 /nfs/dbraw/zinc/94/33/16/1417943316.db2.gz AZEAMDNXWQZPIQ-OAQYLSRUSA-N 1 2 387.439 3.367 10 0 GGAELO C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(SC(F)F)c2)C[C@@H]1n1cc[nH+]c1 ZINC000151402352 1417950431 /nfs/dbraw/zinc/95/04/31/1417950431.db2.gz FSNFVZGTPJHHFQ-DOMZBBRYSA-N 1 2 394.447 3.246 10 0 GGAELO Cc1ccc(NC(=O)C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1C(F)(F)F ZINC000151409471 1417954814 /nfs/dbraw/zinc/95/48/14/1417954814.db2.gz CXJQBYVBTPMTLG-XJKSGUPXSA-N 1 2 394.397 3.259 10 0 GGAELO C[C@H]1CCN(C(=O)C(=O)Nc2ccccc2CC(F)(F)F)C[C@@H]1n1cc[nH+]c1 ZINC000151410615 1417955212 /nfs/dbraw/zinc/95/52/12/1417955212.db2.gz CHQWLKLQDVGQAT-BBRMVZONSA-N 1 2 394.397 3.036 10 0 GGAELO Cc1nc2ccccc2n1CCCNC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000151728203 1418072741 /nfs/dbraw/zinc/07/27/41/1418072741.db2.gz GBZTWCHDTPTGSU-UZLBHIALSA-N 1 2 380.496 3.224 10 0 GGAELO Cc1nn(-c2ccccc2)c(C)c1CNC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000151781509 1418085498 /nfs/dbraw/zinc/08/54/98/1418085498.db2.gz FHWQQRNNUMVGFK-IIBYNOLFSA-N 1 2 392.507 3.478 10 0 GGAELO C[C@@H]1CCN(C(=O)NCc2ccnc(OCC(F)(F)F)c2)C[C@H]1n1cc[nH+]c1 ZINC000152094423 1418143395 /nfs/dbraw/zinc/14/33/95/1418143395.db2.gz DTTSLURNRHSCCB-UKRRQHHQSA-N 1 2 397.401 3.012 10 0 GGAELO C[C@H]1CCN(C(=O)NCc2ccnc(OCC(F)(F)F)c2)C[C@@H]1n1cc[nH+]c1 ZINC000152094332 1418143521 /nfs/dbraw/zinc/14/35/21/1418143521.db2.gz DTTSLURNRHSCCB-ZFWWWQNUSA-N 1 2 397.401 3.012 10 0 GGAELO Cc1ccn2c(C[NH+]3CCN(c4ccc(C(F)(F)F)cn4)CC3)cnc2c1 ZINC000179655414 1429492309 /nfs/dbraw/zinc/49/23/09/1429492309.db2.gz GTKIIHOFXWVIEB-UHFFFAOYSA-N 1 2 375.398 3.379 10 0 GGAELO C[C@H](NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)c1cccc(N2CCOC2=O)c1 ZINC000152822677 1422261372 /nfs/dbraw/zinc/26/13/72/1422261372.db2.gz CIVJMJMWJUDLFN-JTDSTZFVSA-N 1 2 397.479 3.193 10 0 GGAELO CC(C)[C@H](CNC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)NC(=O)OC(C)(C)C ZINC000153648044 1422675207 /nfs/dbraw/zinc/67/52/07/1422675207.db2.gz CQHOXAVCFDCTRM-IKGGRYGDSA-N 1 2 393.532 3.025 10 0 GGAELO C[C@@H]1CCN(C(=O)NCCc2nc(C(F)(F)F)cs2)C[C@H]1n1cc[nH+]c1 ZINC000154142359 1422846086 /nfs/dbraw/zinc/84/60/86/1422846086.db2.gz AAHXCZCPPOGMQK-VXGBXAGGSA-N 1 2 387.431 3.194 10 0 GGAELO C[C@H](NC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1nc(Cc2ccccc2)no1 ZINC000154353200 1422877397 /nfs/dbraw/zinc/87/73/97/1422877397.db2.gz AKJZURUMLSPLEX-XYJFISCASA-N 1 2 394.479 3.211 10 0 GGAELO CC(C)(CC(=O)N1C[C@H]2OCC[N@H+](Cc3ccccc3)[C@H]2C1)c1ccccc1 ZINC000155088024 1423154775 /nfs/dbraw/zinc/15/47/75/1423154775.db2.gz CMXJZYCUICDGJI-FCHUYYIVSA-N 1 2 378.516 3.466 10 0 GGAELO CC(C)(CC(=O)N1C[C@H]2OCC[N@@H+](Cc3ccccc3)[C@H]2C1)c1ccccc1 ZINC000155088024 1423154788 /nfs/dbraw/zinc/15/47/88/1423154788.db2.gz CMXJZYCUICDGJI-FCHUYYIVSA-N 1 2 378.516 3.466 10 0 GGAELO C[C@@H](CC(=O)N1C[C@H]2OCC[N@H+](Cc3ccccc3)[C@H]2C1)c1ccccc1F ZINC000155185640 1423224748 /nfs/dbraw/zinc/22/47/48/1423224748.db2.gz HVADNRQDQRYDHQ-BULFRSBZSA-N 1 2 382.479 3.431 10 0 GGAELO C[C@@H](CC(=O)N1C[C@H]2OCC[N@@H+](Cc3ccccc3)[C@H]2C1)c1ccccc1F ZINC000155185640 1423224757 /nfs/dbraw/zinc/22/47/57/1423224757.db2.gz HVADNRQDQRYDHQ-BULFRSBZSA-N 1 2 382.479 3.431 10 0 GGAELO COc1ccc2nc(C(=O)Nc3ccc(N4CCOCC4)[nH+]c3C)ccc2c1 ZINC000155538558 1423406729 /nfs/dbraw/zinc/40/67/29/1423406729.db2.gz WREFYMJYKLVYEL-UHFFFAOYSA-N 1 2 378.432 3.036 10 0 GGAELO CCC[C@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)c1ccc(F)cc1F ZINC000156144412 1423692902 /nfs/dbraw/zinc/69/29/02/1423692902.db2.gz BUNSURDOZBTJBG-APWZRJJASA-N 1 2 381.467 3.312 10 0 GGAELO CCCN(CCNC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)C(=O)OC(C)(C)C ZINC000160886880 1424642417 /nfs/dbraw/zinc/64/24/17/1424642417.db2.gz HPZUEISQBHVWTA-SJORKVTESA-N 1 2 393.532 3.123 10 0 GGAELO COc1ccc2c(c1)c(C(=O)NC[C@H]1C[N@H+](C)CCO1)c(C)n2C1CCCC1 ZINC000162387348 1424845339 /nfs/dbraw/zinc/84/53/39/1424845339.db2.gz RVUAXCPXHOZGLF-SFHVURJKSA-N 1 2 385.508 3.134 10 0 GGAELO COc1ccc2c(c1)c(C(=O)NC[C@H]1C[N@@H+](C)CCO1)c(C)n2C1CCCC1 ZINC000162387348 1424845341 /nfs/dbraw/zinc/84/53/41/1424845341.db2.gz RVUAXCPXHOZGLF-SFHVURJKSA-N 1 2 385.508 3.134 10 0 GGAELO COc1ccccc1C[NH+]1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)CC1 ZINC000163537739 1425013296 /nfs/dbraw/zinc/01/32/96/1425013296.db2.gz HKHVQGAAZDVZLJ-ZWKOTPCHSA-N 1 2 386.442 3.421 10 0 GGAELO COc1ccccc1C[NH+]1CCN(C(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)CC1 ZINC000163537652 1425013928 /nfs/dbraw/zinc/01/39/28/1425013928.db2.gz HKHVQGAAZDVZLJ-MSOLQXFVSA-N 1 2 386.442 3.421 10 0 GGAELO CCC(=O)N(C1CCOCC1)C1CC[NH+](Cc2cc(F)c(F)c(F)c2)CC1 ZINC000169760499 1425248545 /nfs/dbraw/zinc/24/85/45/1425248545.db2.gz XHRJAFQUFRWJGJ-UHFFFAOYSA-N 1 2 384.442 3.486 10 0 GGAELO C[N@@H+]1CCC[C@@H]1c1nc(C2CN(Cc3cc(F)cc(Br)c3)C2)no1 ZINC000169791482 1425258647 /nfs/dbraw/zinc/25/86/47/1425258647.db2.gz GJTIICLNABKWMT-OAHLLOKOSA-N 1 2 395.276 3.337 10 0 GGAELO C[N@H+]1CCC[C@@H]1c1nc(C2CN(Cc3cc(F)cc(Br)c3)C2)no1 ZINC000169791482 1425258651 /nfs/dbraw/zinc/25/86/51/1425258651.db2.gz GJTIICLNABKWMT-OAHLLOKOSA-N 1 2 395.276 3.337 10 0 GGAELO CN1CCCC[C@@H]1C[NH2+]Cc1cc(Br)c(O)c(Br)c1 ZINC000234331875 1433373646 /nfs/dbraw/zinc/37/36/46/1433373646.db2.gz GUENGAMJPNBTCZ-LLVKDONJSA-N 1 2 392.135 3.491 10 0 GGAELO CC1(C)COCC[N@@H+]1CCNC(=O)COC(c1ccccc1)c1ccccc1 ZINC000170866497 1425374094 /nfs/dbraw/zinc/37/40/94/1425374094.db2.gz DXOPHRWCNODSHB-UHFFFAOYSA-N 1 2 382.504 3.020 10 0 GGAELO CC1(C)COCC[N@H+]1CCNC(=O)COC(c1ccccc1)c1ccccc1 ZINC000170866497 1425374099 /nfs/dbraw/zinc/37/40/99/1425374099.db2.gz DXOPHRWCNODSHB-UHFFFAOYSA-N 1 2 382.504 3.020 10 0 GGAELO O=C(Nc1ccc(OCc2ccccc2)cc1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173769686 1426845150 /nfs/dbraw/zinc/84/51/50/1426845150.db2.gz GEIONCNVTVIGCE-HXUWFJFHSA-N 1 2 381.476 3.204 10 0 GGAELO Cc1ccc(N2CCCC2=O)c(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)c1 ZINC000174018673 1426947135 /nfs/dbraw/zinc/94/71/35/1426947135.db2.gz MKMVCEWUIBSNII-UHFFFAOYSA-N 1 2 392.503 3.437 10 0 GGAELO Cc1ccc(C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)cc1Oc1ccncc1 ZINC000174472717 1427172541 /nfs/dbraw/zinc/17/25/41/1427172541.db2.gz DFZYWCWTNMAXES-LJQANCHMSA-N 1 2 381.476 3.119 10 0 GGAELO COCc1noc([C@@H](C)N2CC[NH+](CCc3ccc(Cl)c(Cl)c3)CC2)n1 ZINC000182320010 1430447939 /nfs/dbraw/zinc/44/79/39/1430447939.db2.gz RQAPBJZATQRJQT-CYBMUJFWSA-N 1 2 399.322 3.444 10 0 GGAELO CNC(=O)c1cccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2nc(C(C)(C)C)cs2)c1 ZINC000184495004 1430894596 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3.239 10 0 GGAELO O=C(NCc1ccc(Oc2ccc(F)cc2)nc1)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000187289847 1431683238 /nfs/dbraw/zinc/68/32/38/1431683238.db2.gz OXDLTPXQJSTMDV-FQEVSTJZSA-N 1 2 399.466 3.130 10 0 GGAELO O=C(NCc1ccc(Oc2ccc(F)cc2)nc1)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000187289847 1431683246 /nfs/dbraw/zinc/68/32/46/1431683246.db2.gz OXDLTPXQJSTMDV-FQEVSTJZSA-N 1 2 399.466 3.130 10 0 GGAELO COc1cc(S(=O)(=O)N2C[C@H](n3cc[nH+]c3)Cc3ccccc32)ccc1F ZINC000190722313 1432455652 /nfs/dbraw/zinc/45/56/52/1432455652.db2.gz LGMLNCBFCGDMME-OAHLLOKOSA-N 1 2 387.436 3.024 10 0 GGAELO CCn1cc([C@H]2C[N@H+](Cc3ccc(OCc4ccccn4)cc3)CCO2)cn1 ZINC000191707657 1432710809 /nfs/dbraw/zinc/71/08/09/1432710809.db2.gz NUATZJLNHNNERL-JOCHJYFZSA-N 1 2 378.476 3.451 10 0 GGAELO CCn1cc([C@H]2C[N@@H+](Cc3ccc(OCc4ccccn4)cc3)CCO2)cn1 ZINC000191707657 1432710812 /nfs/dbraw/zinc/71/08/12/1432710812.db2.gz NUATZJLNHNNERL-JOCHJYFZSA-N 1 2 378.476 3.451 10 0 GGAELO COC(=O)Nc1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000193130056 1432941389 /nfs/dbraw/zinc/94/13/89/1432941389.db2.gz URIQHHCMSWZMIG-VMPITWQZSA-N 1 2 379.460 3.336 10 0 GGAELO CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)[NH2+][C@H](C)c1nnc2ccccn21 ZINC000193323615 1432979290 /nfs/dbraw/zinc/97/92/90/1432979290.db2.gz BVLORMARILMFDD-OLZOCXBDSA-N 1 2 391.431 3.356 10 0 GGAELO CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)[NH2+][C@H](C)c1nnc2ccccn21 ZINC000193323640 1432979346 /nfs/dbraw/zinc/97/93/46/1432979346.db2.gz BVLORMARILMFDD-CHWSQXEVSA-N 1 2 391.431 3.356 10 0 GGAELO CN1CC[C@H](CNC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)c2ccccc21 ZINC000194034047 1433104893 /nfs/dbraw/zinc/10/48/93/1433104893.db2.gz YQORSUIWZFRGTE-QGZVFWFLSA-N 1 2 393.466 3.434 10 0 GGAELO O=C(c1cc(-c2ccccc2O)n[nH]1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000229995762 1433372296 /nfs/dbraw/zinc/37/22/96/1433372296.db2.gz ARHDDKKAOMOQAR-TWGQIWQCSA-N 1 2 388.471 3.254 10 0 GGAELO CC[NH+](CC)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)c(C)c1 ZINC000242912064 1433447606 /nfs/dbraw/zinc/44/76/06/1433447606.db2.gz GTUYYPDUPXVBNT-UHFFFAOYSA-N 1 2 376.478 3.413 10 0 GGAELO CC[NH+](CC)c1ccc(NS(=O)(=O)c2ccc3c(c2)CC(=O)N3C)c(C)c1 ZINC000243876487 1433451181 /nfs/dbraw/zinc/45/11/81/1433451181.db2.gz RMCLZFOSFFWANE-UHFFFAOYSA-N 1 2 387.505 3.161 10 0 GGAELO COc1ccc(-c2nn(CN3CC[C@@H](C)[C@H](n4cc[nH+]c4)C3)c(=S)n2C)cc1 ZINC000246506116 1433622566 /nfs/dbraw/zinc/62/25/66/1433622566.db2.gz HSPVSIDVHDPRCB-CRAIPNDOSA-N 1 2 398.536 3.364 10 0 GGAELO C[C@H](NC(=O)[C@H](C)[N@@H+]1CCO[C@@H]([C@H]2CCCO2)C1)c1cccc2ccccc21 ZINC000246772874 1433663638 /nfs/dbraw/zinc/66/36/38/1433663638.db2.gz CEIAYEQEULFRDB-PEYKTXOXSA-N 1 2 382.504 3.285 10 0 GGAELO C[C@H](NC(=O)[C@H](C)[N@H+]1CCO[C@@H]([C@H]2CCCO2)C1)c1cccc2ccccc21 ZINC000246772874 1433663639 /nfs/dbraw/zinc/66/36/39/1433663639.db2.gz CEIAYEQEULFRDB-PEYKTXOXSA-N 1 2 382.504 3.285 10 0 GGAELO CNc1cc(N2CCC[C@@H]2CNC(=O)[C@H]2C[C@H]2c2ccccc2Cl)nc[nH+]1 ZINC000246876047 1433681293 /nfs/dbraw/zinc/68/12/93/1433681293.db2.gz HZHUDORTQPMTBX-KBMXLJTQSA-N 1 2 385.899 3.060 10 0 GGAELO CNc1cc(N2CCC[C@@H]2CNC(=O)[C@H]2C[C@H]2c2ccccc2Cl)[nH+]cn1 ZINC000246876047 1433681295 /nfs/dbraw/zinc/68/12/95/1433681295.db2.gz HZHUDORTQPMTBX-KBMXLJTQSA-N 1 2 385.899 3.060 10 0 GGAELO CNc1cc(N2CCC[C@@H]2CNC(=O)[C@H]2C[C@@H]2c2ccccc2Cl)nc[nH+]1 ZINC000246876030 1433681300 /nfs/dbraw/zinc/68/13/00/1433681300.db2.gz HZHUDORTQPMTBX-BMFZPTHFSA-N 1 2 385.899 3.060 10 0 GGAELO CNc1cc(N2CCC[C@@H]2CNC(=O)[C@H]2C[C@@H]2c2ccccc2Cl)[nH+]cn1 ZINC000246876030 1433681303 /nfs/dbraw/zinc/68/13/03/1433681303.db2.gz HZHUDORTQPMTBX-BMFZPTHFSA-N 1 2 385.899 3.060 10 0 GGAELO CCCCN(C)c1ccc(NC(=O)C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000247352454 1433711892 /nfs/dbraw/zinc/71/18/92/1433711892.db2.gz HAWUFHBRWDLGNJ-XLIONFOSSA-N 1 2 397.523 3.168 10 0 GGAELO CCOC(=O)N1CCC[N@@H+]([C@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000250279519 1433855516 /nfs/dbraw/zinc/85/55/16/1433855516.db2.gz BSKRIFUOJLYAEQ-HUUCEWRRSA-N 1 2 381.904 3.070 10 0 GGAELO CCOC(=O)N1CCC[N@H+]([C@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000250279519 1433855517 /nfs/dbraw/zinc/85/55/17/1433855517.db2.gz BSKRIFUOJLYAEQ-HUUCEWRRSA-N 1 2 381.904 3.070 10 0 GGAELO Cn1c2ccccc2sc1=NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000254844011 1433872149 /nfs/dbraw/zinc/87/21/49/1433872149.db2.gz FQVBGPBKTWYNCW-UHFFFAOYSA-N 1 2 379.401 3.075 10 0 GGAELO CCOc1ccccc1C(=O)N1C[C@H](COc2cc[nH+]cc2)C2(C1)CCOCC2 ZINC000257174746 1433893141 /nfs/dbraw/zinc/89/31/41/1433893141.db2.gz KGYPHXSRXCMAKC-GOSISDBHSA-N 1 2 396.487 3.428 10 0 GGAELO Cc1c[nH+]c(-c2ccccc2)n1C[C@H]1CCN(C(=O)c2c(C)nn(C)c2C)C1 ZINC000257175058 1433893442 /nfs/dbraw/zinc/89/34/42/1433893442.db2.gz NJLYNEAECHQUQG-SFHVURJKSA-N 1 2 377.492 3.371 10 0 GGAELO CO[C@H]1C[N@@H+](C2CCN(C(=O)C3(c4ccccc4)CC3)CC2)[C@H]1c1cccnc1 ZINC000257185238 1433894199 /nfs/dbraw/zinc/89/41/99/1433894199.db2.gz JJCPPRQBMHBUAA-VXKWHMMOSA-N 1 2 391.515 3.176 10 0 GGAELO CO[C@H]1C[N@H+](C2CCN(C(=O)C3(c4ccccc4)CC3)CC2)[C@H]1c1cccnc1 ZINC000257185238 1433894200 /nfs/dbraw/zinc/89/42/00/1433894200.db2.gz JJCPPRQBMHBUAA-VXKWHMMOSA-N 1 2 391.515 3.176 10 0 GGAELO CC(=O)Nc1cccc(NC(=O)[C@@H](C)[N@H+](C)C[C@@H]2OCCc3ccccc32)c1 ZINC000263672775 1434018710 /nfs/dbraw/zinc/01/87/10/1434018710.db2.gz GODQCKVNKKAROL-VFNWGFHPSA-N 1 2 381.476 3.218 10 0 GGAELO CC(=O)Nc1cccc(NC(=O)[C@@H](C)[N@@H+](C)C[C@@H]2OCCc3ccccc32)c1 ZINC000263672775 1434018714 /nfs/dbraw/zinc/01/87/14/1434018714.db2.gz GODQCKVNKKAROL-VFNWGFHPSA-N 1 2 381.476 3.218 10 0 GGAELO COc1cccc(/C=C/C(=O)NCc2cn3c([nH+]2)CCCC3)c1OC(F)F ZINC000263743003 1434027870 /nfs/dbraw/zinc/02/78/70/1434027870.db2.gz BFAUUURMVBBRBX-CMDGGOBGSA-N 1 2 377.391 3.159 10 0 GGAELO CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000263939622 1434051226 /nfs/dbraw/zinc/05/12/26/1434051226.db2.gz DUSFPRBDRCEYNZ-ZFWWWQNUSA-N 1 2 386.448 3.047 10 0 GGAELO CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)[N@H+]1CCC[C@H](C2OCCO2)C1 ZINC000263939622 1434051231 /nfs/dbraw/zinc/05/12/31/1434051231.db2.gz DUSFPRBDRCEYNZ-ZFWWWQNUSA-N 1 2 386.448 3.047 10 0 GGAELO COc1c(C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)c(C)nn1C ZINC000264728512 1434149024 /nfs/dbraw/zinc/14/90/24/1434149024.db2.gz DJFILPBFCBLZDM-OAHLLOKOSA-N 1 2 394.878 3.097 10 0 GGAELO Cc1nc(C2(NC(=O)Nc3cccc([C@@H](C)[NH+]4CCOCC4)c3)CCCC2)no1 ZINC000265449724 1434235617 /nfs/dbraw/zinc/23/56/17/1434235617.db2.gz BYIBNDCVDGHSNE-OAHLLOKOSA-N 1 2 399.495 3.362 10 0 GGAELO Cc1nc(-c2cccnc2)nc(N2CCC[N@H+](Cc3cscn3)CC2)c1C ZINC000266197590 1434309903 /nfs/dbraw/zinc/30/99/03/1434309903.db2.gz COSZEJNSYWTQNI-UHFFFAOYSA-N 1 2 380.521 3.324 10 0 GGAELO Cc1nc(-c2cccnc2)nc(N2CCC[N@@H+](Cc3cscn3)CC2)c1C ZINC000266197590 1434309906 /nfs/dbraw/zinc/30/99/06/1434309906.db2.gz COSZEJNSYWTQNI-UHFFFAOYSA-N 1 2 380.521 3.324 10 0 GGAELO COCCOc1cc(NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)ccc1OC ZINC000268342691 1434514108 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DPBBQJFVMDOEBU-DOLPWQRDSA-N 1 2 382.508 3.306 10 0 GGAELO C[C@@H]1CCN(C(=O)NC2CCC(O)(c3ccccc3)CC2)C[C@H]1n1cc[nH+]c1 ZINC000273646962 1435002303 /nfs/dbraw/zinc/00/23/03/1435002303.db2.gz DPBBQJFVMDOEBU-ZXWVYEGYSA-N 1 2 382.508 3.306 10 0 GGAELO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)[C@@H]3C[C@@H]3c3ccc(F)cc3)c2)CC1 ZINC000275441502 1435139497 /nfs/dbraw/zinc/13/94/97/1435139497.db2.gz BPXSQJGEQBEGFO-FGZHOGPDSA-N 1 2 395.478 3.232 10 0 GGAELO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)/C=C/c2ccc(OC(F)F)cc2)CCO1 ZINC000275808079 1435171625 /nfs/dbraw/zinc/17/16/25/1435171625.db2.gz DSFOYXQFQLATSZ-NNJOLFNFSA-N 1 2 377.391 3.071 10 0 GGAELO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21 ZINC000279924738 1435564001 /nfs/dbraw/zinc/56/40/01/1435564001.db2.gz GTZFBSVQGBSETN-BQFCYCMXSA-N 1 2 399.520 3.049 10 0 GGAELO CC(C)c1ccc([C@@H](NC(=O)C(=O)NCCn2cc[nH+]c2)c2cccs2)cc1 ZINC000283212173 1435879505 /nfs/dbraw/zinc/87/95/05/1435879505.db2.gz ALCNRUSSVZNTAH-LJQANCHMSA-N 1 2 396.516 3.090 10 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IGKPOYDQNHVSND-UHFFFAOYSA-N 1 2 399.922 3.406 10 0 GGAELO CC[N@@H+](CC(=O)NCc1ccc(Cl)cc1)CC(=O)Nc1ccc2c(c1)CCC2 ZINC000014242881 207017700 /nfs/dbraw/zinc/01/77/00/207017700.db2.gz IGKPOYDQNHVSND-UHFFFAOYSA-N 1 2 399.922 3.406 10 0 GGAELO C[C@H]1CCCC[C@]12NC(=O)N(C[N@H+](C)CCOc1ccc(Cl)cc1)C2=O ZINC000014241292 207018028 /nfs/dbraw/zinc/01/80/28/207018028.db2.gz DGJRZKTYGABNCX-LIRRHRJNSA-N 1 2 379.888 3.109 10 0 GGAELO C[C@H]1CCCC[C@]12NC(=O)N(C[N@@H+](C)CCOc1ccc(Cl)cc1)C2=O ZINC000014241292 207018032 /nfs/dbraw/zinc/01/80/32/207018032.db2.gz DGJRZKTYGABNCX-LIRRHRJNSA-N 1 2 379.888 3.109 10 0 GGAELO COC(=O)C[NH2+]C1CCN(c2ccc(NC(=O)c3ccc(C)cc3C)cc2)CC1 ZINC000014882204 207031026 /nfs/dbraw/zinc/03/10/26/207031026.db2.gz GRHZJECDLGMHSQ-UHFFFAOYSA-N 1 2 395.503 3.287 10 0 GGAELO CC(=O)Nc1ccc(SCC(=O)NCCn2c(C)[nH+]c3ccccc32)cc1 ZINC000015136001 207048000 /nfs/dbraw/zinc/04/80/00/207048000.db2.gz GZOSURGZZRMCCI-UHFFFAOYSA-N 1 2 382.489 3.212 10 0 GGAELO Cc1ccc(-c2nc(C[N@@H+]3CCC[C@H](C(=O)NCc4ccco4)C3)no2)cc1 ZINC000015867917 207065975 /nfs/dbraw/zinc/06/59/75/207065975.db2.gz SSUJIWXOPRSYCA-KRWDZBQOSA-N 1 2 380.448 3.166 10 0 GGAELO Cc1ccc(-c2nc(C[N@H+]3CCC[C@H](C(=O)NCc4ccco4)C3)no2)cc1 ZINC000015867917 207065979 /nfs/dbraw/zinc/06/59/79/207065979.db2.gz SSUJIWXOPRSYCA-KRWDZBQOSA-N 1 2 380.448 3.166 10 0 GGAELO Cc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](C(=O)NCc4ccco4)C3)no2)cc1 ZINC000015867916 207066949 /nfs/dbraw/zinc/06/69/49/207066949.db2.gz SSUJIWXOPRSYCA-QGZVFWFLSA-N 1 2 380.448 3.166 10 0 GGAELO Cc1ccc(-c2nc(C[N@H+]3CCC[C@@H](C(=O)NCc4ccco4)C3)no2)cc1 ZINC000015867916 207066955 /nfs/dbraw/zinc/06/69/55/207066955.db2.gz SSUJIWXOPRSYCA-QGZVFWFLSA-N 1 2 380.448 3.166 10 0 GGAELO CSc1ncccc1C(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000018121857 207094040 /nfs/dbraw/zinc/09/40/40/207094040.db2.gz GEGGZANWODIWJL-UHFFFAOYSA-N 1 2 391.924 3.294 10 0 GGAELO O=C(c1ccccc1-c1[nH]cc[nH+]1)N1CC=C(n2c(=O)[nH]c3ccccc32)CC1 ZINC000019225671 207109642 /nfs/dbraw/zinc/10/96/42/207109642.db2.gz IXCYQANGPNZKCH-UHFFFAOYSA-N 1 2 385.427 3.107 10 0 GGAELO Cc1nc(NC(=O)c2ccc([C@@H]3CCC[N@@H+]3Cc3cccc(O)c3)s2)n[nH]1 ZINC000019839762 207166087 /nfs/dbraw/zinc/16/60/87/207166087.db2.gz VXIOCYVWWIYPCS-HNNXBMFYSA-N 1 2 383.477 3.470 10 0 GGAELO Cc1nc(NC(=O)c2ccc([C@@H]3CCC[N@H+]3Cc3cccc(O)c3)s2)n[nH]1 ZINC000019839762 207166090 /nfs/dbraw/zinc/16/60/90/207166090.db2.gz VXIOCYVWWIYPCS-HNNXBMFYSA-N 1 2 383.477 3.470 10 0 GGAELO Cc1nnc(NC(=O)c2ccc([C@@H]3CCC[N@@H+]3Cc3cccc(O)c3)s2)[nH]1 ZINC000019839762 207166094 /nfs/dbraw/zinc/16/60/94/207166094.db2.gz VXIOCYVWWIYPCS-HNNXBMFYSA-N 1 2 383.477 3.470 10 0 GGAELO Cc1nnc(NC(=O)c2ccc([C@@H]3CCC[N@H+]3Cc3cccc(O)c3)s2)[nH]1 ZINC000019839762 207166099 /nfs/dbraw/zinc/16/60/99/207166099.db2.gz VXIOCYVWWIYPCS-HNNXBMFYSA-N 1 2 383.477 3.470 10 0 GGAELO COc1ccc(OC)c([C@H](c2c(O)[nH]c(=S)[nH]c2=O)[NH+]2CCC(C)CC2)c1 ZINC000020156084 207180058 /nfs/dbraw/zinc/18/00/58/207180058.db2.gz VVBRWMFWPJXVAU-MRXNPFEDSA-N 1 2 391.493 3.389 10 0 GGAELO COc1cccc([C@@H](c2c(O)[nH]c(=S)[nH]c2=O)[NH+]2CCC(C)CC2)c1OC ZINC000020156102 207183113 /nfs/dbraw/zinc/18/31/13/207183113.db2.gz UDQMDXVEYORRJM-HNNXBMFYSA-N 1 2 391.493 3.389 10 0 GGAELO COc1ccccc1-c1cc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)[nH]n1 ZINC000020285763 207185597 /nfs/dbraw/zinc/18/55/97/207185597.db2.gz UOKSELZIZCJYJK-UHFFFAOYSA-N 1 2 376.460 3.043 10 0 GGAELO CCN1CC[NH+]([C@H](c2cccs2)[C@H](C)NC(=O)c2ccc(F)cc2)CC1 ZINC000020288129 207185612 /nfs/dbraw/zinc/18/56/12/207185612.db2.gz JGUSEISULZEGFX-KXBFYZLASA-N 1 2 375.513 3.384 10 0 GGAELO Cc1ccc(-c2cc(C(=O)N3CC[NH+](Cc4ccc(F)cc4)CC3)[nH]n2)cc1 ZINC000020285721 207186483 /nfs/dbraw/zinc/18/64/83/207186483.db2.gz LAAQSLBCGWYDIR-UHFFFAOYSA-N 1 2 378.451 3.482 10 0 GGAELO CCN1CC[NH+]([C@@H](c2cccs2)[C@H](C)NC(=O)c2cccc(F)c2)CC1 ZINC000020288121 207187056 /nfs/dbraw/zinc/18/70/56/207187056.db2.gz ZTDXITYDTNDPPW-HNAYVOBHSA-N 1 2 375.513 3.384 10 0 GGAELO CC(C)(C)C(=O)NC[C@H](c1cccnc1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000020485687 207197727 /nfs/dbraw/zinc/19/77/27/207197727.db2.gz VJVXIZGJBCQMLC-HXUWFJFHSA-N 1 2 384.499 3.246 10 0 GGAELO O=C(c1ccoc1)N1CCC[C@@H](COc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000020452938 207193969 /nfs/dbraw/zinc/19/39/69/207193969.db2.gz OUGMKOPJRKMOKR-LJQANCHMSA-N 1 2 384.476 3.043 10 0 GGAELO COc1ccc2oc(=O)cc(C[NH+]3CCN(C(=O)c4cccc(C)c4)CC3)c2c1 ZINC000020869513 207216461 /nfs/dbraw/zinc/21/64/61/207216461.db2.gz KDGSXIJIBQYAHI-UHFFFAOYSA-N 1 2 392.455 3.068 10 0 GGAELO COc1ccc(C(=O)Nc2c3ccccc3oc2C(=O)N2CC[NH+](C)CC2)cc1 ZINC000020942376 207220806 /nfs/dbraw/zinc/22/08/06/207220806.db2.gz DKDPXTJNXDHALM-UHFFFAOYSA-N 1 2 393.443 3.081 10 0 GGAELO CC(=O)Nc1c2ccccc2oc1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020942446 207220853 /nfs/dbraw/zinc/22/08/53/207220853.db2.gz GXUQXTAXYPESPY-UHFFFAOYSA-N 1 2 377.444 3.349 10 0 GGAELO C[C@H](CCc1ccccc1)NC(=O)c1ccc(SCC[NH+]2CCOCC2)nc1 ZINC000021663573 207235536 /nfs/dbraw/zinc/23/55/36/207235536.db2.gz HDFRRIPMJCXQRX-GOSISDBHSA-N 1 2 399.560 3.257 10 0 GGAELO CCOC(=O)CCC(=O)N1CC[NH+]([C@@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000022627705 207257851 /nfs/dbraw/zinc/25/78/51/207257851.db2.gz SDGHUTJKPXCHRN-QHCPKHFHSA-N 1 2 398.478 3.403 10 0 GGAELO C[C@H]1C[NH+](CCNC(=O)c2cc(-c3ccncc3)nc3ccccc32)C[C@H](C)O1 ZINC000022612172 207258698 /nfs/dbraw/zinc/25/86/98/207258698.db2.gz JLLNRTYKGZWTOH-IRXDYDNUSA-N 1 2 390.487 3.136 10 0 GGAELO COc1ccc(C[NH+]2CCN([C@H](C)C(=O)Nc3ccc(C)cc3)CC2)cc1F ZINC000022777230 207260415 /nfs/dbraw/zinc/26/04/15/207260415.db2.gz RMEOISWJSRFAIP-QGZVFWFLSA-N 1 2 385.483 3.288 10 0 GGAELO COc1ccc(CN2CC[NH+]([C@H](C)C(=O)Nc3ccc(C)cc3)CC2)cc1F ZINC000022777230 207260417 /nfs/dbraw/zinc/26/04/17/207260417.db2.gz RMEOISWJSRFAIP-QGZVFWFLSA-N 1 2 385.483 3.288 10 0 GGAELO COc1cc(C)c(C[NH+]2CCN([C@@H](C)C(=O)Nc3ccccc3)CC2)cc1OC ZINC000022783766 207261517 /nfs/dbraw/zinc/26/15/17/207261517.db2.gz KVUGHNHKRXPXRM-SFHVURJKSA-N 1 2 397.519 3.157 10 0 GGAELO O=C(CN1CC[NH+](Cc2ccsc2)CC1)Nc1ccccc1N1CCCC1 ZINC000022799926 207261727 /nfs/dbraw/zinc/26/17/27/207261727.db2.gz IXIBZORXFDHFFN-UHFFFAOYSA-N 1 2 384.549 3.105 10 0 GGAELO C[C@@H](c1nnc(-c2cccs2)o1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000022802434 207261786 /nfs/dbraw/zinc/26/17/86/207261786.db2.gz BZQKNVHKXFRCNE-AWEZNQCLSA-N 1 2 398.488 3.406 10 0 GGAELO CC(C)[C@@H](NC(=O)CN1CC[NH+](Cc2ccsc2)CC1)c1cccs1 ZINC000022849176 207262817 /nfs/dbraw/zinc/26/28/17/207262817.db2.gz YAEVNWYCUSHHLF-LJQANCHMSA-N 1 2 377.579 3.441 10 0 GGAELO COc1ccc(/C=C/C(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)cc1F ZINC000023175293 207271220 /nfs/dbraw/zinc/27/12/20/207271220.db2.gz IFEOLWZOLMTTSX-CSNYQSHPSA-N 1 2 384.451 3.037 10 0 GGAELO CCn1c2ccccc2c2cc(NC(=S)NCC[NH+]3CCOCC3)ccc21 ZINC000023295840 207271830 /nfs/dbraw/zinc/27/18/30/207271830.db2.gz DTCPIJMDJICYBE-UHFFFAOYSA-N 1 2 382.533 3.433 10 0 GGAELO COc1ccc(C[NH+]2CCN([C@@H](C(=O)N3CCCC3)c3ccccc3)CC2)cc1 ZINC000022925217 207266187 /nfs/dbraw/zinc/26/61/87/207266187.db2.gz ACYNHYIKSARWDZ-HSZRJFAPSA-N 1 2 393.531 3.177 10 0 GGAELO COc1ccc(CN2CC[NH+]([C@@H](C(=O)N3CCCC3)c3ccccc3)CC2)cc1 ZINC000022925217 207266191 /nfs/dbraw/zinc/26/61/91/207266191.db2.gz ACYNHYIKSARWDZ-HSZRJFAPSA-N 1 2 393.531 3.177 10 0 GGAELO Cc1cccc2nc(C(=O)N3CC[NH+](CCOc4ccc(Cl)cc4)CC3)cn21 ZINC000023844457 207282604 /nfs/dbraw/zinc/28/26/04/207282604.db2.gz ICSBJSZOFMLKPY-UHFFFAOYSA-N 1 2 398.894 3.133 10 0 GGAELO Nc1nc2ccc(C(=O)N3CC[NH+](C/C=C/c4ccccc4)CC3)cc2s1 ZINC000023846212 207282735 /nfs/dbraw/zinc/28/27/35/207282735.db2.gz LTMDTUIAPKKOPV-QPJJXVBHSA-N 1 2 378.501 3.350 10 0 GGAELO O=c1[nH]c(C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCCO3)nc2ccccc21 ZINC000023763061 207282769 /nfs/dbraw/zinc/28/27/69/207282769.db2.gz FRHNPMJTSJPKLX-SFHVURJKSA-N 1 2 377.444 3.422 10 0 GGAELO O=c1[nH]c(C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCCO3)nc2ccccc21 ZINC000023763061 207282774 /nfs/dbraw/zinc/28/27/74/207282774.db2.gz FRHNPMJTSJPKLX-SFHVURJKSA-N 1 2 377.444 3.422 10 0 GGAELO C[C@H]1Oc2c(cccc2C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)[C@H]1C ZINC000023763648 207282787 /nfs/dbraw/zinc/28/27/87/207282787.db2.gz KJWQLLMNCCUZLN-JKSUJKDBSA-N 1 2 394.471 3.258 10 0 GGAELO O=C(CCc1c[nH]c2ccccc12)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000023819026 207282992 /nfs/dbraw/zinc/28/29/92/207282992.db2.gz QXUCTIXOCKINJF-UHFFFAOYSA-N 1 2 389.499 3.380 10 0 GGAELO O=C(/C=C/c1ccc(-n2ccnc2)cc1)N1CC[NH+](Cc2cccs2)CC1 ZINC000023819183 207283083 /nfs/dbraw/zinc/28/30/83/207283083.db2.gz HLXUCDCRCVECJH-VMPITWQZSA-N 1 2 378.501 3.291 10 0 GGAELO COc1ccc2c(CC(=O)N3CC[NH+](CCOc4ccccc4)CC3)coc2c1 ZINC000023819258 207283137 /nfs/dbraw/zinc/28/31/37/207283137.db2.gz CANKHGWYTFLZAH-UHFFFAOYSA-N 1 2 394.471 3.207 10 0 GGAELO Cc1cc(N2CCOCC2)nc(Nc2ccc(NC(=O)C3CCCC3)cc2)[nH+]1 ZINC000023993912 207284748 /nfs/dbraw/zinc/28/47/48/207284748.db2.gz HYTZJWTZJOPJAO-UHFFFAOYSA-N 1 2 381.480 3.494 10 0 GGAELO C[C@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[NH+]1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000023990169 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Brc1ccc(-c2n[nH]c(C[NH2+]Cc3ccc4c[nH]nc4c3)n2)cc1 ZINC000119723905 564284908 /nfs/dbraw/zinc/28/49/08/564284908.db2.gz YCFREUWALQUFHR-UHFFFAOYSA-N 1 2 383.253 3.400 10 0 GGAELO Cc1ncc(C[NH+]2CCN(C(=O)c3ccc(Br)c(C)c3)CC2)s1 ZINC000120213999 564310205 /nfs/dbraw/zinc/31/02/05/564310205.db2.gz DTVBFJUUMOCREM-UHFFFAOYSA-N 1 2 394.338 3.480 10 0 GGAELO C[C@H](C(=O)NCCc1cccs1)[NH+]1CCN(Cc2ccc(Cl)s2)CC1 ZINC000022802690 564319805 /nfs/dbraw/zinc/31/98/05/564319805.db2.gz WGNUZJMJACVDDK-CQSZACIVSA-N 1 2 397.997 3.328 10 0 GGAELO COC(=O)c1sccc1C[N@H+](C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000120545689 564325080 /nfs/dbraw/zinc/32/50/80/564325080.db2.gz STISOVJOXSIEAY-HNNXBMFYSA-N 1 2 380.535 3.102 10 0 GGAELO COC(=O)c1sccc1C[N@@H+](C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000120545689 564325082 /nfs/dbraw/zinc/32/50/82/564325082.db2.gz STISOVJOXSIEAY-HNNXBMFYSA-N 1 2 380.535 3.102 10 0 GGAELO Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(n3cncn3)CC2)c(Br)c1 ZINC000120603806 564328363 /nfs/dbraw/zinc/32/83/63/564328363.db2.gz GDJSOLPOFWUQSZ-CYBMUJFWSA-N 1 2 392.301 3.013 10 0 GGAELO CCOc1cc(C[N@H+](C)CC(=O)NC(C)(C)C)cc(Br)c1OC ZINC000120678671 564332282 /nfs/dbraw/zinc/33/22/82/564332282.db2.gz ZBJDUODXPNNNPM-UHFFFAOYSA-N 1 2 387.318 3.203 10 0 GGAELO CCOc1cc(C[N@@H+](C)CC(=O)NC(C)(C)C)cc(Br)c1OC ZINC000120678671 564332285 /nfs/dbraw/zinc/33/22/85/564332285.db2.gz ZBJDUODXPNNNPM-UHFFFAOYSA-N 1 2 387.318 3.203 10 0 GGAELO CC(C)(CNC(=O)CSc1cccc(C(F)(F)F)c1)[NH+]1CCOCC1 ZINC000028089069 564359858 /nfs/dbraw/zinc/35/98/58/564359858.db2.gz OGDXGWBZLVAVRH-UHFFFAOYSA-N 1 2 376.444 3.025 10 0 GGAELO Cc1noc([C@H](C)N2CC[NH+](Cc3ccc(C)c(Br)c3)CC2)n1 ZINC000121296292 564362673 /nfs/dbraw/zinc/36/26/73/564362673.db2.gz RHFMMUYSCUQFBX-ZDUSSCGKSA-N 1 2 379.302 3.328 10 0 GGAELO Cc1noc([C@@H](C)N2CC[NH+](Cc3ccc(C)c(Br)c3)CC2)n1 ZINC000121296447 564362731 /nfs/dbraw/zinc/36/27/31/564362731.db2.gz RHFMMUYSCUQFBX-CYBMUJFWSA-N 1 2 379.302 3.328 10 0 GGAELO Cc1cc(N2CCN(C(=O)CSc3cccs3)CC2)nc(C(C)C)[nH+]1 ZINC000029090570 564367082 /nfs/dbraw/zinc/36/70/82/564367082.db2.gz UGXAVSGSWUTRKL-UHFFFAOYSA-N 1 2 376.551 3.411 10 0 GGAELO Cc1cccc([C@@H](CNC(=O)c2coc(Br)c2)[NH+]2CCOCC2)c1 ZINC000029421399 564369804 /nfs/dbraw/zinc/36/98/04/564369804.db2.gz RXSTVKQSWGCOCN-MRXNPFEDSA-N 1 2 393.281 3.154 10 0 GGAELO O=C(NCc1cccnc1-n1cc[nH+]c1)C1(c2ccc(Br)cc2)CC1 ZINC000029910949 564374572 /nfs/dbraw/zinc/37/45/72/564374572.db2.gz RLKJQNVCOBEETE-UHFFFAOYSA-N 1 2 397.276 3.378 10 0 GGAELO CC(C)N(C(=O)[C@H](C)[NH+]1CCN(c2ccc(Br)cn2)CC1)C(C)C ZINC000030201695 564376503 /nfs/dbraw/zinc/37/65/03/564376503.db2.gz FGLZSQXEMLHOQF-HNNXBMFYSA-N 1 2 397.361 3.000 10 0 GGAELO CC[C@@H](NC(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1)c1nccs1 ZINC000121658327 564379638 /nfs/dbraw/zinc/37/96/38/564379638.db2.gz WVJDXYARBWFVAX-ZIAGYGMSSA-N 1 2 380.539 3.028 10 0 GGAELO O=C(C[N@@H+]1CCC[C@H]1CC(=O)c1cccs1)Nc1nc2c(s1)CCC2 ZINC000121729195 564383543 /nfs/dbraw/zinc/38/35/43/564383543.db2.gz KANPNOMBMKNRRB-LBPRGKRZSA-N 1 2 375.519 3.369 10 0 GGAELO O=C(C[N@H+]1CCC[C@H]1CC(=O)c1cccs1)Nc1nc2c(s1)CCC2 ZINC000121729195 564383545 /nfs/dbraw/zinc/38/35/45/564383545.db2.gz KANPNOMBMKNRRB-LBPRGKRZSA-N 1 2 375.519 3.369 10 0 GGAELO COc1ccccc1S(=O)(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000121761490 564385640 /nfs/dbraw/zinc/38/56/40/564385640.db2.gz HRZYNVPHDGHAPP-QAPCUYQASA-N 1 2 380.897 3.072 10 0 GGAELO COc1ccccc1S(=O)(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000121761490 564385644 /nfs/dbraw/zinc/38/56/44/564385644.db2.gz HRZYNVPHDGHAPP-QAPCUYQASA-N 1 2 380.897 3.072 10 0 GGAELO COc1ccccc1S(=O)(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000121761308 564385870 /nfs/dbraw/zinc/38/58/70/564385870.db2.gz HRZYNVPHDGHAPP-YJBOKZPZSA-N 1 2 380.897 3.072 10 0 GGAELO COc1ccccc1S(=O)(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000121761308 564385873 /nfs/dbraw/zinc/38/58/73/564385873.db2.gz HRZYNVPHDGHAPP-YJBOKZPZSA-N 1 2 380.897 3.072 10 0 GGAELO CCc1ncc(C(=O)N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)s1 ZINC000121879902 564391158 /nfs/dbraw/zinc/39/11/58/564391158.db2.gz PHWKDHFSDRMKSV-UHFFFAOYSA-N 1 2 379.913 3.196 10 0 GGAELO Cc1c(Cl)cccc1S(=O)(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000032408705 564398365 /nfs/dbraw/zinc/39/83/65/564398365.db2.gz KUNKFQLXZUYKPQ-KRWDZBQOSA-N 1 2 375.881 3.450 10 0 GGAELO Cc1c(Cl)cccc1S(=O)(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000032408707 564398573 /nfs/dbraw/zinc/39/85/73/564398573.db2.gz KUNKFQLXZUYKPQ-QGZVFWFLSA-N 1 2 375.881 3.450 10 0 GGAELO Cc1sc(Br)cc1S(=O)(=O)N1C[C@H]2CCCC[N@H+]2C[C@@H]1C ZINC000122463130 564414474 /nfs/dbraw/zinc/41/44/74/564414474.db2.gz KYXVHKCNESNHFR-CMPLNLGQSA-N 1 2 393.372 3.066 10 0 GGAELO Cc1sc(Br)cc1S(=O)(=O)N1C[C@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000122463130 564414477 /nfs/dbraw/zinc/41/44/77/564414477.db2.gz KYXVHKCNESNHFR-CMPLNLGQSA-N 1 2 393.372 3.066 10 0 GGAELO COc1cc(Br)ccc1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000122450568 564414743 /nfs/dbraw/zinc/41/47/43/564414743.db2.gz HJRBUCZSEGVTKN-UHFFFAOYSA-N 1 2 390.281 3.252 10 0 GGAELO C[C@H](c1ccccc1Cl)[NH+]1CCN(CC(=O)N(C)CC(F)(F)F)CC1 ZINC000122468842 564415644 /nfs/dbraw/zinc/41/56/44/564415644.db2.gz OGXNLFWQDMGRNR-CYBMUJFWSA-N 1 2 377.838 3.039 10 0 GGAELO O=S(=O)(c1cccs1)N1CC[NH+](Cc2csc3ccccc23)CC1 ZINC000036385402 564417589 /nfs/dbraw/zinc/41/75/89/564417589.db2.gz OUSRJHZRPPUGKT-UHFFFAOYSA-N 1 2 378.544 3.469 10 0 GGAELO C[C@H](CC(=O)N1CCC[C@H]1C[NH+]1CCOCC1)c1ccc(Br)cc1 ZINC000122570405 564419164 /nfs/dbraw/zinc/41/91/64/564419164.db2.gz QJILNNAJAGCTBB-QAPCUYQASA-N 1 2 395.341 3.266 10 0 GGAELO Cc1cc(C)n(C[C@@H]2C[N@H+](Cc3ccc(Br)cc3C)CCO2)n1 ZINC000122649650 564422312 /nfs/dbraw/zinc/42/23/12/564422312.db2.gz JAQCIXNXHSYSEG-SFHVURJKSA-N 1 2 378.314 3.472 10 0 GGAELO Cc1cc(C)n(C[C@@H]2C[N@@H+](Cc3ccc(Br)cc3C)CCO2)n1 ZINC000122649650 564422315 /nfs/dbraw/zinc/42/23/15/564422315.db2.gz JAQCIXNXHSYSEG-SFHVURJKSA-N 1 2 378.314 3.472 10 0 GGAELO Cc1c(Cl)cccc1NC(=O)C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000041311205 564431675 /nfs/dbraw/zinc/43/16/75/564431675.db2.gz NHJFYPKTFKQLLG-UHFFFAOYSA-N 1 2 377.231 3.204 10 0 GGAELO O=C(NCc1cn2cc(Cl)ccc2[nH+]1)C(=O)Nc1cc(Cl)ccc1F ZINC000041311802 564431847 /nfs/dbraw/zinc/43/18/47/564431847.db2.gz PWBWFEOUWHTDNZ-UHFFFAOYSA-N 1 2 381.194 3.035 10 0 GGAELO O=C(NCc1cn2cc(Cl)ccc2[nH+]1)C(=O)Nc1ccc(Cl)cc1F ZINC000041311286 564432046 /nfs/dbraw/zinc/43/20/46/564432046.db2.gz WJDOFZAKYANXCJ-UHFFFAOYSA-N 1 2 381.194 3.035 10 0 GGAELO CC(C)c1n[nH]c(C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1Br ZINC000123417286 564447456 /nfs/dbraw/zinc/44/74/56/564447456.db2.gz HTYHMXUHDCGOFJ-NEPJUHHUSA-N 1 2 380.290 3.215 10 0 GGAELO C[C@H](C(=O)Nc1ccccc1Br)N1CC[NH+](Cc2ccco2)CC1 ZINC000042540001 564447464 /nfs/dbraw/zinc/44/74/64/564447464.db2.gz DILFAHVAPORCJR-CQSZACIVSA-N 1 2 392.297 3.187 10 0 GGAELO O=C(COc1cccc(Br)c1)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000042799405 564450673 /nfs/dbraw/zinc/45/06/73/564450673.db2.gz VRVSNLXRUVEFGY-UHFFFAOYSA-N 1 2 394.656 3.445 10 0 GGAELO O=C(NCc1ccc(Cl)cc1Cl)N1CC[NH+](Cc2ccncc2)CC1 ZINC000042997330 564452151 /nfs/dbraw/zinc/45/21/51/564452151.db2.gz LMEUDRUKGVTZTE-UHFFFAOYSA-N 1 2 379.291 3.416 10 0 GGAELO CN(C)c1[nH+]cccc1CNC(=O)CCCOc1cccc(Br)c1 ZINC000043050743 564453061 /nfs/dbraw/zinc/45/30/61/564453061.db2.gz ROXGBLNXSXHCDD-UHFFFAOYSA-N 1 2 392.297 3.386 10 0 GGAELO O=S(=O)(c1ccc(Cl)cc1C(F)(F)F)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000045815965 564490001 /nfs/dbraw/zinc/49/00/01/564490001.db2.gz VJAAHGJZAQIPJA-GFCCVEGCSA-N 1 2 382.835 3.218 10 0 GGAELO O=S(=O)(c1ccc(Cl)cc1C(F)(F)F)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000045815965 564490003 /nfs/dbraw/zinc/49/00/03/564490003.db2.gz VJAAHGJZAQIPJA-GFCCVEGCSA-N 1 2 382.835 3.218 10 0 GGAELO CN(Cc1cccc(Br)c1)c1nc(NCCO)c2ccccc2[nH+]1 ZINC000515925013 564490487 /nfs/dbraw/zinc/49/04/87/564490487.db2.gz TVXLSDXBVIUXOF-UHFFFAOYSA-N 1 2 387.281 3.433 10 0 GGAELO O=C(NCc1cn2cc(Cl)ccc2[nH+]1)Nc1nnc(C(F)(F)F)s1 ZINC000124811953 564494159 /nfs/dbraw/zinc/49/41/59/564494159.db2.gz WFDFPGACSKXNCD-UHFFFAOYSA-N 1 2 376.751 3.180 10 0 GGAELO O=C(NC1CCN(c2cccc[nH+]2)CC1)c1cc(F)ccc1Br ZINC000046619174 564504227 /nfs/dbraw/zinc/50/42/27/564504227.db2.gz AKEBEXRRRDMOJB-UHFFFAOYSA-N 1 2 378.245 3.382 10 0 GGAELO COc1ccc(C(=O)NC2CCN(c3cccc[nH+]3)CC2)cc1Br ZINC000046618922 564504750 /nfs/dbraw/zinc/50/47/50/564504750.db2.gz HDYCRKZOOSNRGM-UHFFFAOYSA-N 1 2 390.281 3.252 10 0 GGAELO CCc1cnc(CCNC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)s1 ZINC000125195496 564506540 /nfs/dbraw/zinc/50/65/40/564506540.db2.gz MZXQJQJLWCOTEC-CQSZACIVSA-N 1 2 378.567 3.398 10 0 GGAELO O=C(NCc1cccnc1-n1cc[nH+]c1)c1cc(F)cc(Br)c1 ZINC000046780386 564507930 /nfs/dbraw/zinc/50/79/30/564507930.db2.gz IABCKQHZFLPSOH-UHFFFAOYSA-N 1 2 375.201 3.099 10 0 GGAELO CN(Cc1ccc(Br)o1)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000046943500 564510245 /nfs/dbraw/zinc/51/02/45/564510245.db2.gz FSAZCHBKMLEXGD-UHFFFAOYSA-N 1 2 393.285 3.248 10 0 GGAELO C[C@@H]1CCN(C(=O)COc2cccc(Br)c2)C[C@H]1n1cc[nH+]c1 ZINC000125609365 564519481 /nfs/dbraw/zinc/51/94/81/564519481.db2.gz DOWHQRKPIRQIOR-CZUORRHYSA-N 1 2 378.270 3.134 10 0 GGAELO C[N@H+](CC(=O)Nc1ccccc1F)[C@@H](CO)c1cccc(Br)c1 ZINC000125648181 564521616 /nfs/dbraw/zinc/52/16/16/564521616.db2.gz JEDATYYESSTVAM-INIZCTEOSA-N 1 2 381.245 3.192 10 0 GGAELO C[N@@H+](CC(=O)Nc1ccccc1F)[C@@H](CO)c1cccc(Br)c1 ZINC000125648181 564521619 /nfs/dbraw/zinc/52/16/19/564521619.db2.gz JEDATYYESSTVAM-INIZCTEOSA-N 1 2 381.245 3.192 10 0 GGAELO COc1cc(C)c(S(=O)(=O)NCc2cn3cc(Cl)ccc3[nH+]2)c(C)c1 ZINC000047462719 564521825 /nfs/dbraw/zinc/52/18/25/564521825.db2.gz XJAKJAHQBHUODI-UHFFFAOYSA-N 1 2 379.869 3.092 10 0 GGAELO C[N@H+](CC(=O)Nc1ccccc1F)[C@H](CO)c1cccc(Br)c1 ZINC000125648412 564521847 /nfs/dbraw/zinc/52/18/47/564521847.db2.gz JEDATYYESSTVAM-MRXNPFEDSA-N 1 2 381.245 3.192 10 0 GGAELO C[N@@H+](CC(=O)Nc1ccccc1F)[C@H](CO)c1cccc(Br)c1 ZINC000125648412 564521853 /nfs/dbraw/zinc/52/18/53/564521853.db2.gz JEDATYYESSTVAM-MRXNPFEDSA-N 1 2 381.245 3.192 10 0 GGAELO C[C@@H](NC(=O)NCc1ccc[nH+]c1N(C)C)c1ccc(Br)cc1 ZINC000047908387 564527697 /nfs/dbraw/zinc/52/76/97/564527697.db2.gz CTQCJRIYQAWVPY-GFCCVEGCSA-N 1 2 377.286 3.471 10 0 GGAELO Cc1ccc(O)c(C[NH+]2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)n1 ZINC000125876103 564529833 /nfs/dbraw/zinc/52/98/33/564529833.db2.gz HWLFQNZAUJEZQY-UHFFFAOYSA-N 1 2 380.275 3.360 10 0 GGAELO Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCC[N@@H+]1C[C@@H](C)CS(C)(=O)=O ZINC000126003860 564533616 /nfs/dbraw/zinc/53/36/16/564533616.db2.gz FGUXIKWZLKWIMA-HIFRSBDPSA-N 1 2 375.966 3.319 10 0 GGAELO Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCC[N@H+]1C[C@@H](C)CS(C)(=O)=O ZINC000126003860 564533620 /nfs/dbraw/zinc/53/36/20/564533620.db2.gz FGUXIKWZLKWIMA-HIFRSBDPSA-N 1 2 375.966 3.319 10 0 GGAELO C[C@H](CSc1[nH+]cnc2c1cnn2-c1ccc(Cl)cc1)CS(C)(=O)=O ZINC000126706375 564558539 /nfs/dbraw/zinc/55/85/39/564558539.db2.gz MZKBUQGPNDNABJ-LLVKDONJSA-N 1 2 396.925 3.242 10 0 GGAELO C[C@@H](CSc1[nH+]cnc2c1cnn2-c1ccc(Cl)cc1)CS(C)(=O)=O ZINC000126706168 564559091 /nfs/dbraw/zinc/55/90/91/564559091.db2.gz MZKBUQGPNDNABJ-NSHDSACASA-N 1 2 396.925 3.242 10 0 GGAELO Cc1cscc1NC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000126745234 564560699 /nfs/dbraw/zinc/56/06/99/564560699.db2.gz WMAWBGVKSLAAQG-GOEBONIOSA-N 1 2 377.897 3.210 10 0 GGAELO Cc1cscc1NC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000126745234 564560706 /nfs/dbraw/zinc/56/07/06/564560706.db2.gz WMAWBGVKSLAAQG-GOEBONIOSA-N 1 2 377.897 3.210 10 0 GGAELO CCCNC(=O)C[N@H+](CCC)Cc1nnc(-c2ccccc2Br)o1 ZINC000052246670 564570308 /nfs/dbraw/zinc/57/03/08/564570308.db2.gz GFMLSDKKSXXBAX-UHFFFAOYSA-N 1 2 395.301 3.237 10 0 GGAELO CCCNC(=O)C[N@@H+](CCC)Cc1nnc(-c2ccccc2Br)o1 ZINC000052246670 564570314 /nfs/dbraw/zinc/57/03/14/564570314.db2.gz GFMLSDKKSXXBAX-UHFFFAOYSA-N 1 2 395.301 3.237 10 0 GGAELO O=C(CCc1ccccc1Br)NCc1cccnc1-n1cc[nH+]c1 ZINC000052408753 564571388 /nfs/dbraw/zinc/57/13/88/564571388.db2.gz RUDLMINQEIXTCV-UHFFFAOYSA-N 1 2 385.265 3.279 10 0 GGAELO C[C@H](c1ccccc1Cl)[NH+]1CCN(CC(=O)N(C)c2nccs2)CC1 ZINC000052534664 564573326 /nfs/dbraw/zinc/57/33/26/564573326.db2.gz SHSXZNFTNFRNGA-CQSZACIVSA-N 1 2 378.929 3.138 10 0 GGAELO O=C(Cc1csc(-c2ccc(Cl)s2)n1)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000127121692 564574197 /nfs/dbraw/zinc/57/41/97/564574197.db2.gz ZFANXFKAVDQADP-CYBMUJFWSA-N 1 2 397.953 3.047 10 0 GGAELO O=C(Cc1csc(-c2ccc(Cl)s2)n1)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000127121692 564574200 /nfs/dbraw/zinc/57/42/00/564574200.db2.gz ZFANXFKAVDQADP-CYBMUJFWSA-N 1 2 397.953 3.047 10 0 GGAELO Cn1cc(Br)cc1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000127211430 564576933 /nfs/dbraw/zinc/57/69/33/564576933.db2.gz UGMSBDJSIWJHON-GDBMZVCRSA-N 1 2 398.251 3.241 10 0 GGAELO Cn1cc(Br)cc1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000127211430 564576935 /nfs/dbraw/zinc/57/69/35/564576935.db2.gz UGMSBDJSIWJHON-GDBMZVCRSA-N 1 2 398.251 3.241 10 0 GGAELO C[N@H+](CC(=O)N1CCO[C@H]2CCCC[C@@H]21)Cc1cc(Br)cs1 ZINC000052848065 564577099 /nfs/dbraw/zinc/57/70/99/564577099.db2.gz FAYKNGSWGURREQ-GJZGRUSLSA-N 1 2 387.343 3.112 10 0 GGAELO C[N@@H+](CC(=O)N1CCO[C@H]2CCCC[C@@H]21)Cc1cc(Br)cs1 ZINC000052848065 564577104 /nfs/dbraw/zinc/57/71/04/564577104.db2.gz FAYKNGSWGURREQ-GJZGRUSLSA-N 1 2 387.343 3.112 10 0 GGAELO Cc1c[nH+]c(C)nc1NCc1ccc(Br)cc1N1CCOCC1 ZINC000519425046 564577183 /nfs/dbraw/zinc/57/71/83/564577183.db2.gz HAKASJLOOBEFEA-UHFFFAOYSA-N 1 2 377.286 3.305 10 0 GGAELO C[N@@H+]1CC[C@H](NC(=O)c2ccc(Br)cn2)[C@@H]1c1ccc(F)c(F)c1 ZINC000127504467 564586430 /nfs/dbraw/zinc/58/64/30/564586430.db2.gz KWZDIZURQLIHEI-HOCLYGCPSA-N 1 2 396.235 3.298 10 0 GGAELO C[N@H+]1CC[C@H](NC(=O)c2ccc(Br)cn2)[C@@H]1c1ccc(F)c(F)c1 ZINC000127504467 564586433 /nfs/dbraw/zinc/58/64/33/564586433.db2.gz KWZDIZURQLIHEI-HOCLYGCPSA-N 1 2 396.235 3.298 10 0 GGAELO O[C@H](COc1c(Cl)cccc1Cl)C[NH+]1CCN(Cc2ccco2)CC1 ZINC000053441508 564588652 /nfs/dbraw/zinc/58/86/52/564588652.db2.gz KWOAOYJIPYKTSN-AWEZNQCLSA-N 1 2 385.291 3.144 10 0 GGAELO O[C@H](COc1c(Cl)cccc1Cl)CN1CC[NH+](Cc2ccco2)CC1 ZINC000053441508 564588658 /nfs/dbraw/zinc/58/86/58/564588658.db2.gz KWOAOYJIPYKTSN-AWEZNQCLSA-N 1 2 385.291 3.144 10 0 GGAELO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)c1ccc(C2SCCCS2)cc1 ZINC000127619065 564589545 /nfs/dbraw/zinc/58/95/45/564589545.db2.gz XPGVAGRVFRYBMQ-QGZVFWFLSA-N 1 2 378.563 3.148 10 0 GGAELO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)c1ccc(C2SCCCS2)cc1 ZINC000127619065 564589550 /nfs/dbraw/zinc/58/95/50/564589550.db2.gz XPGVAGRVFRYBMQ-QGZVFWFLSA-N 1 2 378.563 3.148 10 0 GGAELO C[C@@H](NC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccccc1Br ZINC000054066220 564599042 /nfs/dbraw/zinc/59/90/42/564599042.db2.gz DFBFEZKMTNIKQJ-CQSZACIVSA-N 1 2 389.297 3.437 10 0 GGAELO COc1ccccc1[C@H](NC(=O)c1coc(Br)c1)c1[nH+]ccn1C ZINC000128014000 564604536 /nfs/dbraw/zinc/60/45/36/564604536.db2.gz YJTUSOMBJOXPEB-HNNXBMFYSA-N 1 2 390.237 3.304 10 0 GGAELO O=C(NCc1ccnc(-n2cc[nH+]c2)c1)c1cc(Br)ccc1F ZINC000054629159 564606419 /nfs/dbraw/zinc/60/64/19/564606419.db2.gz UQEWSMZUZRXLJU-UHFFFAOYSA-N 1 2 375.201 3.099 10 0 GGAELO C[C@H]1CN(C(=O)c2cc(Cl)cc(C(F)(F)F)c2)C[C@H]1[NH+]1CCOCC1 ZINC000128160205 564608596 /nfs/dbraw/zinc/60/85/96/564608596.db2.gz BBFRGAUSIXPYSS-XHDPSFHLSA-N 1 2 376.806 3.152 10 0 GGAELO CN(C[C@@H]1CCCO1)C(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000128316294 564614397 /nfs/dbraw/zinc/61/43/97/564614397.db2.gz NNWSHDAEYUGTAN-IRXDYDNUSA-N 1 2 381.314 3.223 10 0 GGAELO CN(C[C@H]1CCCO1)C(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000128316518 564614620 /nfs/dbraw/zinc/61/46/20/564614620.db2.gz NNWSHDAEYUGTAN-SJORKVTESA-N 1 2 381.314 3.223 10 0 GGAELO Cc1ccc(NC(=O)C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c(Br)c1 ZINC000128548855 564621617 /nfs/dbraw/zinc/62/16/17/564621617.db2.gz UZYUGWPLVPANOU-KDOFPFPSSA-N 1 2 381.314 3.323 10 0 GGAELO Cc1ccc(NC(=O)C[N@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c(Br)c1 ZINC000128548855 564621620 /nfs/dbraw/zinc/62/16/20/564621620.db2.gz UZYUGWPLVPANOU-KDOFPFPSSA-N 1 2 381.314 3.323 10 0 GGAELO CCc1ccc(C[NH+]2CCN(C(=O)CSCc3ccccn3)CC2)s1 ZINC000128641922 564624323 /nfs/dbraw/zinc/62/43/23/564624323.db2.gz BYPNXXCERGHVSW-UHFFFAOYSA-N 1 2 375.563 3.283 10 0 GGAELO Cc1cc(Br)ccc1S(=O)(=O)N(C)c1ccc[nH+]c1N(C)C ZINC000128900736 564632950 /nfs/dbraw/zinc/63/29/50/564632950.db2.gz ZCNDTLFPLPQHNM-UHFFFAOYSA-N 1 2 384.299 3.044 10 0 GGAELO CCc1ccc(S(=O)(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2F)s1 ZINC000055999706 564637159 /nfs/dbraw/zinc/63/71/59/564637159.db2.gz UJGPCIWWUCQAMV-INIZCTEOSA-N 1 2 379.482 3.251 10 0 GGAELO COCc1ccc(C[NH2+]Cc2nnc(-c3ccc(Br)cc3)[nH]2)o1 ZINC000129240969 564642552 /nfs/dbraw/zinc/64/25/52/564642552.db2.gz VCHQJHYWLBZFAQ-UHFFFAOYSA-N 1 2 377.242 3.263 10 0 GGAELO C[C@@H](NC(=O)N1CCN(c2cccc[nH+]2)CC1)c1cccc(Br)c1 ZINC000129297389 564644330 /nfs/dbraw/zinc/64/43/30/564644330.db2.gz VWLIQBQGHYPPNA-CQSZACIVSA-N 1 2 389.297 3.437 10 0 GGAELO Cc1sc2nc(C[NH+]3CCCC3)nc(N(C)[C@@H](C)C[S@](C)=O)c2c1C ZINC000129678053 564655805 /nfs/dbraw/zinc/65/58/05/564655805.db2.gz XEORSQRCRCMZAC-UOXLDJKESA-N 1 2 380.583 3.107 10 0 GGAELO COc1cc(C(=O)NCc2cccnc2-n2cc[nH+]c2)sc1Br ZINC000129880061 564664379 /nfs/dbraw/zinc/66/43/79/564664379.db2.gz DIVMONPZNHKLIH-UHFFFAOYSA-N 1 2 393.266 3.030 10 0 GGAELO C[N@H+](CC(=O)NC(=O)NCc1ccccc1)Cc1ccc(Cl)cc1Cl ZINC000057347675 564666089 /nfs/dbraw/zinc/66/60/89/564666089.db2.gz PUWUCZSNUNSXSE-UHFFFAOYSA-N 1 2 380.275 3.451 10 0 GGAELO C[N@@H+](CC(=O)NC(=O)NCc1ccccc1)Cc1ccc(Cl)cc1Cl ZINC000057347675 564666093 /nfs/dbraw/zinc/66/60/93/564666093.db2.gz PUWUCZSNUNSXSE-UHFFFAOYSA-N 1 2 380.275 3.451 10 0 GGAELO C[C@H](NC(=O)[C@H](C)[NH+]1CCN(CC(F)F)CC1)c1ccc(Cl)cc1Cl ZINC000057919139 564677169 /nfs/dbraw/zinc/67/71/69/564677169.db2.gz FTSGIXUJCRQGGA-RYUDHWBXSA-N 1 2 394.293 3.442 10 0 GGAELO C[C@@H](NC(=O)[C@H](C)[NH+]1CCN(CC(F)F)CC1)c1ccc(Cl)cc1Cl ZINC000057919144 564677221 /nfs/dbraw/zinc/67/72/21/564677221.db2.gz FTSGIXUJCRQGGA-NEPJUHHUSA-N 1 2 394.293 3.442 10 0 GGAELO C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)[NH+]1CCN(CC(F)F)CC1 ZINC000057919127 564677455 /nfs/dbraw/zinc/67/74/55/564677455.db2.gz FTSGIXUJCRQGGA-NWDGAFQWSA-N 1 2 394.293 3.442 10 0 GGAELO COc1cc(C(=O)N2CCC[N@H+](Cc3csc(C)n3)CC2)ccc1Cl ZINC000130686913 564688688 /nfs/dbraw/zinc/68/86/88/564688688.db2.gz OLAXDJRNZKQVIA-UHFFFAOYSA-N 1 2 379.913 3.462 10 0 GGAELO COc1cc(C(=O)N2CCC[N@@H+](Cc3csc(C)n3)CC2)ccc1Cl ZINC000130686913 564688691 /nfs/dbraw/zinc/68/86/91/564688691.db2.gz OLAXDJRNZKQVIA-UHFFFAOYSA-N 1 2 379.913 3.462 10 0 GGAELO Oc1c(Br)cc(C[NH2+][C@H]2CCC[C@H](O)C2)cc1Br ZINC000059811619 564693503 /nfs/dbraw/zinc/69/35/03/564693503.db2.gz KLERNTFVTLXLIO-UWVGGRQHSA-N 1 2 379.092 3.310 10 0 GGAELO CC(C)Cn1cc[nH+]c1CNC(=O)CCOc1cccc(Br)c1 ZINC000131065859 564699726 /nfs/dbraw/zinc/69/97/26/564699726.db2.gz VGSPSHSVLWYHKF-UHFFFAOYSA-N 1 2 380.286 3.387 10 0 GGAELO Cc1ccc(I)c(C(=O)NCc2[nH+]ccn2CC(C)C)c1 ZINC000131106073 564701388 /nfs/dbraw/zinc/70/13/88/564701388.db2.gz CORXYEXSHFQMCG-UHFFFAOYSA-N 1 2 397.260 3.382 10 0 GGAELO O=C(c1n[nH]c(-c2ccccc2)c1Br)N1CCC[N@@H+](C2CC2)CC1 ZINC000061603925 564707355 /nfs/dbraw/zinc/70/73/55/564707355.db2.gz TZHYDOJHTDMCDP-UHFFFAOYSA-N 1 2 389.297 3.150 10 0 GGAELO O=C(c1n[nH]c(-c2ccccc2)c1Br)N1CCC[N@H+](C2CC2)CC1 ZINC000061603925 564707360 /nfs/dbraw/zinc/70/73/60/564707360.db2.gz TZHYDOJHTDMCDP-UHFFFAOYSA-N 1 2 389.297 3.150 10 0 GGAELO COc1cc(C[NH+]2CCN(c3nccs3)CC2)cc(Br)c1OC ZINC000063285939 564716081 /nfs/dbraw/zinc/71/60/81/564716081.db2.gz DXCGPQPAIVAFCS-UHFFFAOYSA-N 1 2 398.326 3.245 10 0 GGAELO CN(Cc1cc(Br)cs1)C(=O)C[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000063568017 564718622 /nfs/dbraw/zinc/71/86/22/564718622.db2.gz PSNIGSNHABATRF-HUUCEWRRSA-N 1 2 387.343 3.112 10 0 GGAELO CN(Cc1cc(Br)cs1)C(=O)C[N@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000063568017 564718625 /nfs/dbraw/zinc/71/86/25/564718625.db2.gz PSNIGSNHABATRF-HUUCEWRRSA-N 1 2 387.343 3.112 10 0 GGAELO CN(C)C(=O)C1CC[NH+](Cc2cc(Br)ccc2OC(F)F)CC1 ZINC000063741112 564721939 /nfs/dbraw/zinc/72/19/39/564721939.db2.gz QWDDFOQAJPKVBM-UHFFFAOYSA-N 1 2 391.256 3.351 10 0 GGAELO Cc1cc(C)n(C[C@@H]2C[N@H+](Cc3cccc(Br)c3C)CCO2)n1 ZINC000131868942 564727127 /nfs/dbraw/zinc/72/71/27/564727127.db2.gz SVIJNIFODFVZRA-KRWDZBQOSA-N 1 2 378.314 3.472 10 0 GGAELO Cc1cc(C)n(C[C@@H]2C[N@@H+](Cc3cccc(Br)c3C)CCO2)n1 ZINC000131868942 564727130 /nfs/dbraw/zinc/72/71/30/564727130.db2.gz SVIJNIFODFVZRA-KRWDZBQOSA-N 1 2 378.314 3.472 10 0 GGAELO COCc1nc(C(=O)N2CC[NH+]([C@H](C)c3ccccc3Cl)CC2)cs1 ZINC000065053083 564738891 /nfs/dbraw/zinc/73/88/91/564738891.db2.gz CHMBHNIFEUJLMH-CYBMUJFWSA-N 1 2 379.913 3.462 10 0 GGAELO C[C@@H]1CN(C(=O)c2ccc(Cl)c(C(F)(F)F)c2)C[C@@H]1[NH+]1CCOCC1 ZINC000132903226 564756766 /nfs/dbraw/zinc/75/67/66/564756766.db2.gz JJALTYHOKSKAMQ-ABAIWWIYSA-N 1 2 376.806 3.152 10 0 GGAELO C[C@@H]1CN(C(=O)c2ccc(Cl)c(C(F)(F)F)c2)C[C@H]1[NH+]1CCOCC1 ZINC000132903572 564756983 /nfs/dbraw/zinc/75/69/83/564756983.db2.gz JJALTYHOKSKAMQ-IAQYHMDHSA-N 1 2 376.806 3.152 10 0 GGAELO C[C@H]1CN(C(=O)c2ccc(Cl)c(C(F)(F)F)c2)C[C@@H]1[NH+]1CCOCC1 ZINC000132903372 564757228 /nfs/dbraw/zinc/75/72/28/564757228.db2.gz JJALTYHOKSKAMQ-NHYWBVRUSA-N 1 2 376.806 3.152 10 0 GGAELO Cc1cc(F)ccc1S(=O)(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000066249350 564759103 /nfs/dbraw/zinc/75/91/03/564759103.db2.gz YIQVBJBSERDPJT-GFCCVEGCSA-N 1 2 383.514 3.045 10 0 GGAELO Cc1cc(F)ccc1S(=O)(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000066249350 564759106 /nfs/dbraw/zinc/75/91/06/564759106.db2.gz YIQVBJBSERDPJT-GFCCVEGCSA-N 1 2 383.514 3.045 10 0 GGAELO COC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)C1 ZINC000066835315 564776700 /nfs/dbraw/zinc/77/67/00/564776700.db2.gz OFTCYIYKFVKLIU-SECBINFHSA-N 1 2 379.671 3.470 10 0 GGAELO COC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)C1 ZINC000066835315 564776704 /nfs/dbraw/zinc/77/67/04/564776704.db2.gz OFTCYIYKFVKLIU-SECBINFHSA-N 1 2 379.671 3.470 10 0 GGAELO O=S(=O)(/C=C/c1ccc(Br)cc1)NCc1cn2c([nH+]1)CCCC2 ZINC000066918401 564778467 /nfs/dbraw/zinc/77/84/67/564778467.db2.gz AOMSTNGCTWWTJR-CSKARUKUSA-N 1 2 396.310 3.072 10 0 GGAELO COCc1nc(C(=O)N2CC[NH+]([C@@H](C)c3ccccc3Cl)CC2)cs1 ZINC000068425398 564817568 /nfs/dbraw/zinc/81/75/68/564817568.db2.gz CHMBHNIFEUJLMH-ZDUSSCGKSA-N 1 2 379.913 3.462 10 0 GGAELO Cc1ncc(C[NH+]2CCN(C(=O)COc3cccc(Cl)c3C)CC2)s1 ZINC000134902419 564818458 /nfs/dbraw/zinc/81/84/58/564818458.db2.gz UPZRTNBUDYDVCY-UHFFFAOYSA-N 1 2 379.913 3.137 10 0 GGAELO O=C(NCc1cscn1)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000135195601 564825059 /nfs/dbraw/zinc/82/50/59/564825059.db2.gz ZWVOWWUXVGSCAZ-HNNXBMFYSA-N 1 2 380.311 3.359 10 0 GGAELO O=C(NCc1cscn1)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000135195626 564825186 /nfs/dbraw/zinc/82/51/86/564825186.db2.gz ZWVOWWUXVGSCAZ-OAHLLOKOSA-N 1 2 380.311 3.359 10 0 GGAELO CCOc1cccc(CCNc2[nH+]cnc3c2c(Br)nn3C)c1 ZINC000135549270 564834393 /nfs/dbraw/zinc/83/43/93/564834393.db2.gz PUTUSUCWTXRRTH-UHFFFAOYSA-N 1 2 376.258 3.179 10 0 GGAELO O=C(Cc1cc(F)ccc1Br)NCc1cccnc1-n1cc[nH+]c1 ZINC000137257054 564860191 /nfs/dbraw/zinc/86/01/91/564860191.db2.gz HXLDUZKHXFXYRJ-UHFFFAOYSA-N 1 2 389.228 3.028 10 0 GGAELO O=C(Cc1cc(Br)ccc1F)NC1CCN(c2cccc[nH+]2)CC1 ZINC000137277208 564861556 /nfs/dbraw/zinc/86/15/56/564861556.db2.gz AFLKAJYLNYGGCG-UHFFFAOYSA-N 1 2 392.272 3.311 10 0 GGAELO C[NH+](C)[C@@H](C(=O)NCCCNc1ncccn1)c1cc(Cl)cc(Cl)c1 ZINC000083847816 564868316 /nfs/dbraw/zinc/86/83/16/564868316.db2.gz GTEVFFKNQXBCDS-OAHLLOKOSA-N 1 2 382.295 3.005 10 0 GGAELO COC(=O)[C@@H](c1ccc(Cl)cc1)N1CC[NH+](Cc2scnc2C)CC1 ZINC000091864455 564872811 /nfs/dbraw/zinc/87/28/11/564872811.db2.gz HICIQSDNNGXMPA-QGZVFWFLSA-N 1 2 379.913 3.137 10 0 GGAELO O=C1C[C@H](c2ccccc2)[N@H+](Cc2cc(O)ccc2Br)CCN1 ZINC000092076022 564873643 /nfs/dbraw/zinc/87/36/43/564873643.db2.gz RQTRKVLVGMMGSM-QGZVFWFLSA-N 1 2 375.266 3.218 10 0 GGAELO O=C1C[C@H](c2ccccc2)[N@@H+](Cc2cc(O)ccc2Br)CCN1 ZINC000092076022 564873646 /nfs/dbraw/zinc/87/36/46/564873646.db2.gz RQTRKVLVGMMGSM-QGZVFWFLSA-N 1 2 375.266 3.218 10 0 GGAELO O=C1C[C@@H](c2ccccc2)N(Cc2c[nH+]c3ccc(Br)cn23)CCN1 ZINC000092075353 564873745 /nfs/dbraw/zinc/87/37/45/564873745.db2.gz ZCRFETBFRNKHEN-KRWDZBQOSA-N 1 2 399.292 3.160 10 0 GGAELO O=C1C[C@H](c2ccccc2)N(Cc2c[nH+]c3ccc(Br)cn23)CCN1 ZINC000092075354 564873990 /nfs/dbraw/zinc/87/39/90/564873990.db2.gz ZCRFETBFRNKHEN-QGZVFWFLSA-N 1 2 399.292 3.160 10 0 GGAELO Brc1cccc(-c2c[nH]c(C[NH+]3CCC(n4cncn4)CC3)n2)c1 ZINC000092647591 564879260 /nfs/dbraw/zinc/87/92/60/564879260.db2.gz JVHNWRGLCMHPBO-UHFFFAOYSA-N 1 2 387.285 3.268 10 0 GGAELO NC(=O)c1c(F)cc(Br)cc1NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000092829924 564882125 /nfs/dbraw/zinc/88/21/25/564882125.db2.gz FXMLLBVWVLHJSO-UHFFFAOYSA-N 1 2 389.228 3.485 10 0 GGAELO NC(=O)c1c(F)cc(Br)cc1NCCCCNc1cccc[nH+]1 ZINC000092829627 564882137 /nfs/dbraw/zinc/88/21/37/564882137.db2.gz HMEAGVYYCFXFGP-UHFFFAOYSA-N 1 2 381.249 3.386 10 0 GGAELO NC(=O)c1c(F)cc(Br)cc1NC1CCN(c2cccc[nH+]2)CC1 ZINC000092828671 564882539 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CCOC(=O)c1sc([C@@H](C)[NH2+][C@@H](C)C(=O)NCc2cccs2)nc1C ZINC000151757123 564935514 /nfs/dbraw/zinc/93/55/14/564935514.db2.gz LWPFASBOAGSQPN-NWDGAFQWSA-N 1 2 381.523 3.045 10 0 GGAELO CCn1cnnc1[C@@H]1CCC[N@H+](CC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000103478471 564948772 /nfs/dbraw/zinc/94/87/72/564948772.db2.gz OMJDABHTQBMSKF-GFCCVEGCSA-N 1 2 382.295 3.423 10 0 GGAELO CCn1cnnc1[C@@H]1CCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000103478471 564948775 /nfs/dbraw/zinc/94/87/75/564948775.db2.gz OMJDABHTQBMSKF-GFCCVEGCSA-N 1 2 382.295 3.423 10 0 GGAELO C[N@@H+]1CCO[C@H](CNC(=O)Nc2cc(Cl)ccc2SCC(F)(F)F)C1 ZINC000152430016 564958693 /nfs/dbraw/zinc/95/86/93/564958693.db2.gz KFPPVMAZQNNJCI-LLVKDONJSA-N 1 2 397.850 3.447 10 0 GGAELO C[N@H+]1CCO[C@H](CNC(=O)Nc2cc(Cl)ccc2SCC(F)(F)F)C1 ZINC000152430016 564958696 /nfs/dbraw/zinc/95/86/96/564958696.db2.gz KFPPVMAZQNNJCI-LLVKDONJSA-N 1 2 397.850 3.447 10 0 GGAELO O=C(C[N@@H+]1CC[C@H](Oc2cccnc2)C1)Nc1ccc(Br)cc1F ZINC000152479224 564960516 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3.344 10 0 GGAELO COc1ccc([C@H](C)[NH2+][C@@H](C(N)=O)c2ccc(Br)cc2)c(OC)c1 ZINC000105412064 564967183 /nfs/dbraw/zinc/96/71/83/564967183.db2.gz HAICJRIUEIVOAT-APPDUMDISA-N 1 2 393.281 3.344 10 0 GGAELO O=C(CSCC(F)(F)F)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000152737938 564969674 /nfs/dbraw/zinc/96/96/74/564969674.db2.gz LQSFUWPIAPRWMD-NSHDSACASA-N 1 2 382.398 3.341 10 0 GGAELO O=C(CSCC(F)(F)F)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000152737938 564969677 /nfs/dbraw/zinc/96/96/77/564969677.db2.gz LQSFUWPIAPRWMD-NSHDSACASA-N 1 2 382.398 3.341 10 0 GGAELO CCCCc1noc([C@H](C)S(=O)(=O)Cc2cn3cc(Cl)ccc3[nH+]2)n1 ZINC000105714457 564973399 /nfs/dbraw/zinc/97/33/99/564973399.db2.gz CQUUSZIWZJNMKM-NSHDSACASA-N 1 2 382.873 3.389 10 0 GGAELO C[C@@H](CC(=O)NCC(C)(C)[NH+]1CCOCC1)c1ccc(Br)cc1 ZINC000152901326 564976569 /nfs/dbraw/zinc/97/65/69/564976569.db2.gz RYXGXJMAYOQKMB-AWEZNQCLSA-N 1 2 383.330 3.170 10 0 GGAELO CN(c1cccnn1)C1CC[NH+](Cc2ccc(Br)cc2F)CC1 ZINC000106085408 564976906 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Cc1ncc(C[NH+]2CCN(CC(=O)Nc3cc(Cl)ccc3C)CC2)s1 ZINC000106091368 564978572 /nfs/dbraw/zinc/97/85/72/564978572.db2.gz AJRALRZHKLFADE-UHFFFAOYSA-N 1 2 378.929 3.170 10 0 GGAELO Cc1nc(CN2CCC[N@H+](Cc3csc(-c4ccsc4)n3)CC2)no1 ZINC000106146513 564978886 /nfs/dbraw/zinc/97/88/86/564978886.db2.gz YDHOAJABOCMBAK-UHFFFAOYSA-N 1 2 375.523 3.271 10 0 GGAELO Cc1nc(CN2CCC[N@@H+](Cc3csc(-c4ccsc4)n3)CC2)no1 ZINC000106146513 564978890 /nfs/dbraw/zinc/97/88/90/564978890.db2.gz YDHOAJABOCMBAK-UHFFFAOYSA-N 1 2 375.523 3.271 10 0 GGAELO Cc1cnn([C@H]2CCC[N@H+](CC(=O)Nc3ccc(Br)cc3F)C2)c1 ZINC000106224664 564980162 /nfs/dbraw/zinc/98/01/62/564980162.db2.gz YOYPQGNQDGOWDQ-AWEZNQCLSA-N 1 2 395.276 3.369 10 0 GGAELO Cc1cnn([C@H]2CCC[N@@H+](CC(=O)Nc3ccc(Br)cc3F)C2)c1 ZINC000106224664 564980164 /nfs/dbraw/zinc/98/01/64/564980164.db2.gz YOYPQGNQDGOWDQ-AWEZNQCLSA-N 1 2 395.276 3.369 10 0 GGAELO CN(C[C@@H](c1cccs1)[NH+]1CCOCC1)C(=O)NC[C@@]1(C)CCCS1 ZINC000153193656 564987971 /nfs/dbraw/zinc/98/79/71/564987971.db2.gz MXJGMFIZAAVPDY-MAUKXSAKSA-N 1 2 383.583 3.049 10 0 GGAELO CC(C)N1CC[C@@H]([NH+]2CCN(CCc3ccc(Cl)c(Cl)c3)CC2)C1=O ZINC000153241145 564989072 /nfs/dbraw/zinc/98/90/72/564989072.db2.gz CCDZINIZXWCAHK-GOSISDBHSA-N 1 2 384.351 3.163 10 0 GGAELO CC(C)N1CC[C@@H](N2CC[NH+](CCc3ccc(Cl)c(Cl)c3)CC2)C1=O ZINC000153241145 564989077 /nfs/dbraw/zinc/98/90/77/564989077.db2.gz CCDZINIZXWCAHK-GOSISDBHSA-N 1 2 384.351 3.163 10 0 GGAELO O=C(CN1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1)Nc1nccs1 ZINC000153251925 564989431 /nfs/dbraw/zinc/98/94/31/564989431.db2.gz RHYWLNVQYMKLKW-UHFFFAOYSA-N 1 2 399.347 3.249 10 0 GGAELO O=c1cc(CN2CC[NH+](CCc3ccc(Cl)c(Cl)c3)CC2)occ1O ZINC000153261114 564989640 /nfs/dbraw/zinc/98/96/40/564989640.db2.gz CMXGRHYTPCZRBF-UHFFFAOYSA-N 1 2 383.275 3.013 10 0 GGAELO CCC(C)(C)NC(=O)CN1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000153274034 564990292 /nfs/dbraw/zinc/99/02/92/564990292.db2.gz PSJVHXZOFNEDDY-UHFFFAOYSA-N 1 2 386.367 3.458 10 0 GGAELO CCC(C)(C)NC(=O)C[NH+]1CCN(CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000153274034 564990295 /nfs/dbraw/zinc/99/02/95/564990295.db2.gz PSJVHXZOFNEDDY-UHFFFAOYSA-N 1 2 386.367 3.458 10 0 GGAELO CC(C)n1cc[nH+]c1CS(=O)(=O)Cc1ccc(F)c(Br)c1 ZINC000107075199 564994184 /nfs/dbraw/zinc/99/41/84/564994184.db2.gz JUKDDLCMESXQBC-UHFFFAOYSA-N 1 2 375.263 3.481 10 0 GGAELO CC(C)n1cc[nH+]c1CS(=O)(=O)[C@H](C)C(=O)Nc1cc(Cl)ccc1F ZINC000107075836 564994295 /nfs/dbraw/zinc/99/42/95/564994295.db2.gz YSEYGZCNTCBSGW-LLVKDONJSA-N 1 2 387.864 3.199 10 0 GGAELO O=C(c1c[nH]c2cccc(Br)c12)N1CC[NH+](Cc2ccncc2)CC1 ZINC000153557442 565000503 /nfs/dbraw/zinc/00/05/03/565000503.db2.gz ALQGAOJNVPIKKV-UHFFFAOYSA-N 1 2 399.292 3.283 10 0 GGAELO CCc1nc(CNC(=O)N2CC[NH+](Cc3cccc(Cl)c3)CC2)cs1 ZINC000107756085 565002634 /nfs/dbraw/zinc/00/26/34/565002634.db2.gz LHASGQAZPBTZJL-UHFFFAOYSA-N 1 2 378.929 3.386 10 0 GGAELO Cc1c(Br)c2ccccc2n1CC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000108609922 565014251 /nfs/dbraw/zinc/01/42/51/565014251.db2.gz ZFULGDBZYLEAFK-LBPRGKRZSA-N 1 2 375.270 3.114 10 0 GGAELO Cc1nc(C[N@@H+]2CCCN(C(=O)COc3ccccc3Cl)CC2)cs1 ZINC000109651626 565029231 /nfs/dbraw/zinc/02/92/31/565029231.db2.gz SZCSSOPSABLIBE-UHFFFAOYSA-N 1 2 379.913 3.218 10 0 GGAELO Cc1nc(C[N@H+]2CCCN(C(=O)COc3ccccc3Cl)CC2)cs1 ZINC000109651626 565029233 /nfs/dbraw/zinc/02/92/33/565029233.db2.gz SZCSSOPSABLIBE-UHFFFAOYSA-N 1 2 379.913 3.218 10 0 GGAELO NC(=O)C[C@H]1CCCC[N@@H+]1CC(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000109699141 565030595 /nfs/dbraw/zinc/03/05/95/565030595.db2.gz DTGHFRLVOZBUEQ-SECBINFHSA-N 1 2 378.687 3.315 10 0 GGAELO NC(=O)C[C@H]1CCCC[N@H+]1CC(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000109699141 565030601 /nfs/dbraw/zinc/03/06/01/565030601.db2.gz DTGHFRLVOZBUEQ-SECBINFHSA-N 1 2 378.687 3.315 10 0 GGAELO O=C(CN1CCCC[C@H]1C[NH+]1CCOCC1)Nc1cc(Cl)ccc1Cl ZINC000109820120 565031787 /nfs/dbraw/zinc/03/17/87/565031787.db2.gz NDBYUXKCALQNOC-HNNXBMFYSA-N 1 2 386.323 3.119 10 0 GGAELO Cc1ccc(NC(=O)C(=O)N[C@@H](C)c2ccccc2Br)c(C)[nH+]1 ZINC000154371502 565035719 /nfs/dbraw/zinc/03/57/19/565035719.db2.gz 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565048239 /nfs/dbraw/zinc/04/82/39/565048239.db2.gz MUIWTZKLHXJTKH-UHFFFAOYSA-N 1 2 379.913 3.137 10 0 GGAELO Cc1ncc(C[NH+]2CCN(C(=O)c3ccc(F)cc3Br)CC2)s1 ZINC000110942125 565048302 /nfs/dbraw/zinc/04/83/02/565048302.db2.gz VVRKPKPOTODBAN-UHFFFAOYSA-N 1 2 398.301 3.311 10 0 GGAELO O=C(COc1cc(Cl)ccc1Cl)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000110959560 565048377 /nfs/dbraw/zinc/04/83/77/565048377.db2.gz DGOATKHNPDGCNE-HNNXBMFYSA-N 1 2 387.307 3.086 10 0 GGAELO Cc1ncc(C[NH+]2CCN(C(=O)C3(c4cccc(Cl)c4)CC3)CC2)s1 ZINC000110941922 565048439 /nfs/dbraw/zinc/04/84/39/565048439.db2.gz WOFKOXACNJGKHY-UHFFFAOYSA-N 1 2 375.925 3.481 10 0 GGAELO Cc1ncc(Cl)c(C(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)n1 ZINC000154820250 565053798 /nfs/dbraw/zinc/05/37/98/565053798.db2.gz RPNOMSXDDMPRSN-UHFFFAOYSA-N 1 2 379.291 3.440 10 0 GGAELO Cc1ncc(Cl)c(C(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)n1 ZINC000154820250 565053800 /nfs/dbraw/zinc/05/38/00/565053800.db2.gz RPNOMSXDDMPRSN-UHFFFAOYSA-N 1 2 379.291 3.440 10 0 GGAELO Brc1ccc(-c2c[nH]c(C[NH2+]Cc3nnc4ccccn43)n2)cc1 ZINC000112370967 565063009 /nfs/dbraw/zinc/06/30/09/565063009.db2.gz FQRZRCMYPCZJMK-UHFFFAOYSA-N 1 2 383.253 3.172 10 0 GGAELO COc1ccc(Cl)c(S(=O)(=O)NCc2cn3cc(Cl)ccc3[nH+]2)c1 ZINC000112361274 565063037 /nfs/dbraw/zinc/06/30/37/565063037.db2.gz LKASMCAFAOMADP-UHFFFAOYSA-N 1 2 386.260 3.128 10 0 GGAELO CN(C)c1[nH+]cccc1CNC(=O)N1CCc2ccc(Br)cc21 ZINC000112438976 565063965 /nfs/dbraw/zinc/06/39/65/565063965.db2.gz KTANVIWABTUOEK-UHFFFAOYSA-N 1 2 375.270 3.182 10 0 GGAELO O=C(Cc1ccc(Br)c(F)c1)NCc1cccnc1-n1cc[nH+]c1 ZINC000155677165 565070475 /nfs/dbraw/zinc/07/04/75/565070475.db2.gz ACDSYLKPNQGVNM-UHFFFAOYSA-N 1 2 389.228 3.028 10 0 GGAELO Cc1ccc(NC(=O)CS(=O)(=O)c2ccc(Cl)cc2)c(C[NH+](C)C)c1 ZINC000113911325 565071394 /nfs/dbraw/zinc/07/13/94/565071394.db2.gz MNBLOIALVGNKAC-UHFFFAOYSA-N 1 2 380.897 3.122 10 0 GGAELO O=C(CC[N@@H+]1CCC[C@@H]1C(=O)Nc1nccs1)Nc1ccccc1Cl ZINC000114195520 565072637 /nfs/dbraw/zinc/07/26/37/565072637.db2.gz 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395.301 3.444 10 0 GGAELO OC[C@H]([NH2+]Cc1nc(-c2ccc(F)cc2)no1)c1cccc(Br)c1 ZINC000183913923 565104804 /nfs/dbraw/zinc/10/48/04/565104804.db2.gz MFVQPWHDHZBMJY-HNNXBMFYSA-N 1 2 392.228 3.461 10 0 GGAELO CO[C@H](C)c1noc(C[N@H+](C)Cc2ccc(I)cc2)n1 ZINC000267123414 565106264 /nfs/dbraw/zinc/10/62/64/565106264.db2.gz UUKVABYMIJNMGA-SNVBAGLBSA-N 1 2 387.221 3.014 10 0 GGAELO CO[C@H](C)c1noc(C[N@@H+](C)Cc2ccc(I)cc2)n1 ZINC000267123414 565106267 /nfs/dbraw/zinc/10/62/67/565106267.db2.gz UUKVABYMIJNMGA-SNVBAGLBSA-N 1 2 387.221 3.014 10 0 GGAELO O=C(c1cccc(Br)c1Cl)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000184062294 565112454 /nfs/dbraw/zinc/11/24/54/565112454.db2.gz GPAYXWRTVJFMGJ-GFCCVEGCSA-N 1 2 387.705 3.039 10 0 GGAELO CSc1ccc(Cl)cc1NC(=O)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000267435264 565117243 /nfs/dbraw/zinc/11/72/43/565117243.db2.gz VJJGIQPTWXMENC-UHFFFAOYSA-N 1 2 378.885 3.130 10 0 GGAELO Cn1cc(NC(=O)N2CC[NH+](CCc3ccc(Cl)c(Cl)c3)CC2)cn1 ZINC000157110018 565118102 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O=C(CCOc1ccccc1Br)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000370244378 565135053 /nfs/dbraw/zinc/13/50/53/565135053.db2.gz RIRKNOQGEAQPOI-UHFFFAOYSA-N 1 2 378.270 3.347 10 0 GGAELO O=C(CCOc1ccccc1Br)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000370244378 565135058 /nfs/dbraw/zinc/13/50/58/565135058.db2.gz RIRKNOQGEAQPOI-UHFFFAOYSA-N 1 2 378.270 3.347 10 0 GGAELO O=C(NCc1[nH+]ccn1CC(F)(F)F)N1CCSC2(CCCCC2)C1 ZINC000370261781 565135544 /nfs/dbraw/zinc/13/55/44/565135544.db2.gz SFYIYGVTRUEMOT-UHFFFAOYSA-N 1 2 376.448 3.407 10 0 GGAELO Cc1cn2cc(NC(=O)N(C)Cc3cc(Br)cn3C)ccc2[nH+]1 ZINC000268278788 565145980 /nfs/dbraw/zinc/14/59/80/565145980.db2.gz NXCVHTQOZJDEOV-UHFFFAOYSA-N 1 2 376.258 3.408 10 0 GGAELO C[C@@H]1CCN(C(=O)NCc2csc(Br)c2)C[C@H]1n1cc[nH+]c1 ZINC000268306807 565147029 /nfs/dbraw/zinc/14/70/29/565147029.db2.gz GCBWBLATRMPXAY-DGCLKSJQSA-N 1 2 383.315 3.500 10 0 GGAELO C[C@@H]1CCN(C(=O)NCc2csc(Br)c2)C[C@@H]1n1cc[nH+]c1 ZINC000268306809 565147165 /nfs/dbraw/zinc/14/71/65/565147165.db2.gz 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O=C(CCCOc1cccc(Br)c1)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000371307154 565186015 /nfs/dbraw/zinc/18/60/15/565186015.db2.gz BGCRAKVCUSAPJN-CYBMUJFWSA-N 1 2 378.270 3.005 10 0 GGAELO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(Br)c(C(F)(F)F)c1 ZINC000371308051 565186314 /nfs/dbraw/zinc/18/63/14/565186314.db2.gz KLPIDNXNWOHCML-VIFPVBQESA-N 1 2 388.187 3.478 10 0 GGAELO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)c1ccc(Br)c(C(F)(F)F)c1 ZINC000371308051 565186318 /nfs/dbraw/zinc/18/63/18/565186318.db2.gz KLPIDNXNWOHCML-VIFPVBQESA-N 1 2 388.187 3.478 10 0 GGAELO C[C@@H](CC(=O)c1cccc(Br)c1)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000371301337 565186476 /nfs/dbraw/zinc/18/64/76/565186476.db2.gz FDQXBWOMLKWPRC-FZMZJTMJSA-N 1 2 390.281 3.055 10 0 GGAELO C[C@@H](CC(=O)c1cccc(Br)c1)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000371301337 565186481 /nfs/dbraw/zinc/18/64/81/565186481.db2.gz FDQXBWOMLKWPRC-FZMZJTMJSA-N 1 2 390.281 3.055 10 0 GGAELO Brc1ccccc1-c1cnc(C[N@@H+]2CCO[C@@]3(CCOC3)C2)o1 ZINC000185205198 565186829 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CCC1(CC)C[N@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)CC[S@@]1=O ZINC000185256330 565190762 /nfs/dbraw/zinc/19/07/62/565190762.db2.gz NRAKNQKYJGBZNW-BSEYFRJRSA-N 1 2 394.364 3.356 10 0 GGAELO CCC1(CC)C[N@@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)CC[S@@]1=O ZINC000185256330 565190768 /nfs/dbraw/zinc/19/07/68/565190768.db2.gz NRAKNQKYJGBZNW-BSEYFRJRSA-N 1 2 394.364 3.356 10 0 GGAELO CCCC(=O)N[C@H]1CCC[N@H+](Cc2nc3cc(Br)ccc3[nH]2)C1 ZINC000159156032 565196651 /nfs/dbraw/zinc/19/66/51/565196651.db2.gz ACLSMGYRGPINKX-ZDUSSCGKSA-N 1 2 379.302 3.206 10 0 GGAELO CCCC(=O)N[C@H]1CCC[N@@H+](Cc2nc3cc(Br)ccc3[nH]2)C1 ZINC000159156032 565196655 /nfs/dbraw/zinc/19/66/55/565196655.db2.gz ACLSMGYRGPINKX-ZDUSSCGKSA-N 1 2 379.302 3.206 10 0 GGAELO Cc1ccc(CN(C)S(=O)(=O)c2ccc(Br)s2)c(C)[nH+]1 ZINC000185346192 565196895 /nfs/dbraw/zinc/19/68/95/565196895.db2.gz ISSDJJZSIKTHDB-UHFFFAOYSA-N 1 2 375.313 3.343 10 0 GGAELO Cc1c(Br)scc1C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000185369750 565198089 /nfs/dbraw/zinc/19/80/89/565198089.db2.gz 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ZINC000278381362 565554707 /nfs/dbraw/zinc/55/47/07/565554707.db2.gz LLEUBDMLSOGLLC-UHFFFAOYSA-N 1 2 377.286 3.211 10 0 GGAELO C[C@H](CCc1ccc(Br)cc1)Nc1nc2c(cnn2C)c(N)[nH+]1 ZINC000302818808 565559187 /nfs/dbraw/zinc/55/91/87/565559187.db2.gz CLHSRMZDUYKSJC-SNVBAGLBSA-N 1 2 375.274 3.141 10 0 GGAELO CNc1nc(N2CCC(O)(c3ccccc3Cl)CC2)[nH+]cc1Br ZINC000302854146 565560007 /nfs/dbraw/zinc/56/00/07/565560007.db2.gz RBYOLGGHRZVRRP-UHFFFAOYSA-N 1 2 397.704 3.422 10 0 GGAELO COCCCOc1cc(C)ccc1C[NH2+]Cc1c(Br)cnn1C ZINC000278483698 565560965 /nfs/dbraw/zinc/56/09/65/565560965.db2.gz LDMNNUFKCQRCLU-UHFFFAOYSA-N 1 2 382.302 3.196 10 0 GGAELO Brc1ccc([C@H]2C[C@@H]2Nc2cc(N3CCOCC3)nc[nH+]2)cc1 ZINC000302879816 565561996 /nfs/dbraw/zinc/56/19/96/565561996.db2.gz HDKJWHACVBNIQZ-CABCVRRESA-N 1 2 375.270 3.044 10 0 GGAELO Brc1ccc([C@H]2C[C@@H]2Nc2cc(N3CCOCC3)[nH+]cn2)cc1 ZINC000302879816 565562000 /nfs/dbraw/zinc/56/20/00/565562000.db2.gz HDKJWHACVBNIQZ-CABCVRRESA-N 1 2 375.270 3.044 10 0 GGAELO COc1cc(Br)ccc1[C@H](C)Nc1cc(N2CCOCC2)nc[nH+]1 ZINC000302857024 565562108 /nfs/dbraw/zinc/56/21/08/565562108.db2.gz SFWUQDPNYKPDJO-LBPRGKRZSA-N 1 2 393.285 3.257 10 0 GGAELO COc1cc(Br)ccc1[C@H](C)Nc1cc(N2CCOCC2)[nH+]cn1 ZINC000302857024 565562109 /nfs/dbraw/zinc/56/21/09/565562109.db2.gz SFWUQDPNYKPDJO-LBPRGKRZSA-N 1 2 393.285 3.257 10 0 GGAELO Cn1ncc2c1nc(N1CCC[C@H]1c1cc(F)cc(Br)c1)[nH+]c2N ZINC000302880779 565562183 /nfs/dbraw/zinc/56/21/83/565562183.db2.gz IOAZQMWITWWOKA-ZDUSSCGKSA-N 1 2 391.248 3.189 10 0 GGAELO Cn1ncc2c1nc(NCC(C)(C)c1ccccc1Br)[nH+]c2N ZINC000302906747 565562653 /nfs/dbraw/zinc/56/26/53/565562653.db2.gz XDBRIIBHYALNCW-UHFFFAOYSA-N 1 2 375.274 3.098 10 0 GGAELO Brc1ccc2c(c1)CC[C@@H]2Nc1cc(N2CCOCC2)nc[nH+]1 ZINC000302889089 565563042 /nfs/dbraw/zinc/56/30/42/565563042.db2.gz MYJSXJBBNKYOPR-HNNXBMFYSA-N 1 2 375.270 3.175 10 0 GGAELO Brc1ccc2c(c1)CC[C@@H]2Nc1cc(N2CCOCC2)[nH+]cn1 ZINC000302889089 565563044 /nfs/dbraw/zinc/56/30/44/565563044.db2.gz 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565571107 /nfs/dbraw/zinc/57/11/07/565571107.db2.gz WWCGYRLSIHEFEB-GFCCVEGCSA-N 1 2 375.332 3.002 10 0 GGAELO CCOCC[N@H+]1CCN(C(=O)c2scc(C)c2Br)C[C@H]1C ZINC000190939947 565571109 /nfs/dbraw/zinc/57/11/09/565571109.db2.gz WWCGYRLSIHEFEB-GFCCVEGCSA-N 1 2 375.332 3.002 10 0 GGAELO CCOCC[N@@H+]1CCN(C(=O)c2scc(C)c2Br)C[C@@H]1C ZINC000190939929 565571420 /nfs/dbraw/zinc/57/14/20/565571420.db2.gz WWCGYRLSIHEFEB-LBPRGKRZSA-N 1 2 375.332 3.002 10 0 GGAELO CCOCC[N@H+]1CCN(C(=O)c2scc(C)c2Br)C[C@@H]1C ZINC000190939929 565571422 /nfs/dbraw/zinc/57/14/22/565571422.db2.gz WWCGYRLSIHEFEB-LBPRGKRZSA-N 1 2 375.332 3.002 10 0 GGAELO CC[C@H]([NH2+]Cc1ncccc1S(C)(=O)=O)c1ccc(Br)cc1 ZINC000278670063 565571483 /nfs/dbraw/zinc/57/14/83/565571483.db2.gz GNHSRPIAJRUSLS-AWEZNQCLSA-N 1 2 383.311 3.489 10 0 GGAELO CCN1CCC[C@@H]([NH2+]Cc2c(Br)cncc2Br)C1 ZINC000394594867 565572151 /nfs/dbraw/zinc/57/21/51/565572151.db2.gz BRZUEBZABLLMAL-SNVBAGLBSA-N 1 2 377.124 3.181 10 0 GGAELO CC(C)Cn1cc[nH+]c1CNC(=O)Cc1ccc(I)cc1 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ZINC000332389573 565834894 /nfs/dbraw/zinc/83/48/94/565834894.db2.gz YXRAMMYPVPULEW-NHYWBVRUSA-N 1 2 379.913 3.413 10 0 GGAELO Cn1cc(N2CCC[C@H](Nc3[nH+]ccc4cc(Br)ccc43)C2)cn1 ZINC000413162258 565836948 /nfs/dbraw/zinc/83/69/48/565836948.db2.gz OGOGRYASYSAGQF-HNNXBMFYSA-N 1 2 386.297 3.234 10 0 GGAELO CCc1nn(C)c(OC)c1CNc1[nH+]ccc2cc(Br)ccc21 ZINC000413220474 565839580 /nfs/dbraw/zinc/83/95/80/565839580.db2.gz GCXIXNJECAAHPB-UHFFFAOYSA-N 1 2 375.270 3.336 10 0 GGAELO C[C@H](O)CNc1cc(N2CCC[C@H]2c2ccc(Br)s2)nc[nH+]1 ZINC000413221629 565840033 /nfs/dbraw/zinc/84/00/33/565840033.db2.gz AGXAZBNYXUXJPG-QWRGUYRKSA-N 1 2 383.315 3.435 10 0 GGAELO C[C@H](O)CNc1cc(N2CCC[C@H]2c2ccc(Br)s2)[nH+]cn1 ZINC000413221629 565840036 /nfs/dbraw/zinc/84/00/36/565840036.db2.gz AGXAZBNYXUXJPG-QWRGUYRKSA-N 1 2 383.315 3.435 10 0 GGAELO Cc1cc(NC(=O)[C@H](C)[N@@H+]2CC[C@](O)(C(F)(F)F)C2)ccc1Br ZINC000177276066 565840900 /nfs/dbraw/zinc/84/09/00/565840900.db2.gz ACQARVPGDRXUKF-IINYFYTJSA-N 1 2 395.219 3.084 10 0 GGAELO Cc1cc(NC(=O)[C@H](C)[N@H+]2CC[C@](O)(C(F)(F)F)C2)ccc1Br ZINC000177276066 565840905 /nfs/dbraw/zinc/84/09/05/565840905.db2.gz ACQARVPGDRXUKF-IINYFYTJSA-N 1 2 395.219 3.084 10 0 GGAELO COc1cc(Br)ccc1[C@H](C)Nc1cc(NC[C@@H](C)O)[nH+]cn1 ZINC000413257292 565841886 /nfs/dbraw/zinc/84/18/86/565841886.db2.gz NRDBPECMNSCRLE-MNOVXSKESA-N 1 2 381.274 3.214 10 0 GGAELO COc1cc(Br)ccc1[C@H](C)Nc1cc(NC[C@@H](C)O)nc[nH+]1 ZINC000413257292 565841889 /nfs/dbraw/zinc/84/18/89/565841889.db2.gz NRDBPECMNSCRLE-MNOVXSKESA-N 1 2 381.274 3.214 10 0 GGAELO COc1cc(Br)ccc1[C@@H](C)Nc1cc(NC[C@@H](C)O)[nH+]cn1 ZINC000413257291 565842147 /nfs/dbraw/zinc/84/21/47/565842147.db2.gz NRDBPECMNSCRLE-GHMZBOCLSA-N 1 2 381.274 3.214 10 0 GGAELO COc1cc(Br)ccc1[C@@H](C)Nc1cc(NC[C@@H](C)O)nc[nH+]1 ZINC000413257291 565842152 /nfs/dbraw/zinc/84/21/52/565842152.db2.gz NRDBPECMNSCRLE-GHMZBOCLSA-N 1 2 381.274 3.214 10 0 GGAELO CCS(=O)(=O)C1CCN(c2[nH+]ccc3cc(Br)ccc32)CC1 ZINC000413267423 565843070 /nfs/dbraw/zinc/84/30/70/565843070.db2.gz PMPREVAOPPRPHN-UHFFFAOYSA-N 1 2 383.311 3.401 10 0 GGAELO O=C1CN(c2[nH+]ccc3cc(Br)ccc32)CCN1CC(F)(F)F ZINC000413300029 565845392 /nfs/dbraw/zinc/84/53/92/565845392.db2.gz VNGYNNGXMMCEGP-UHFFFAOYSA-N 1 2 388.187 3.208 10 0 GGAELO CN(C)C(=O)N[C@@H]1CCCN(c2[nH+]ccc3cc(Br)ccc32)C1 ZINC000413318917 565845492 /nfs/dbraw/zinc/84/54/92/565845492.db2.gz NYKGEQPIRKMNBF-CQSZACIVSA-N 1 2 377.286 3.237 10 0 GGAELO O=C(/C=C/c1ccc(Br)cc1)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000194988695 565852207 /nfs/dbraw/zinc/85/22/07/565852207.db2.gz UGDKUYBWDSCQNL-ZZXKWVIFSA-N 1 2 383.249 3.359 10 0 GGAELO O=C(NCc1ccc(Br)c(F)c1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177464539 565852899 /nfs/dbraw/zinc/85/28/99/565852899.db2.gz DNGDCLXXYIQEJZ-CYBMUJFWSA-N 1 2 381.249 3.159 10 0 GGAELO Cn1c(C[NH+]2CCN(c3ccc(Br)cn3)CC2)nc2ccccc21 ZINC000195074729 565856888 /nfs/dbraw/zinc/85/68/88/565856888.db2.gz GVBWNMNAHFCGCW-UHFFFAOYSA-N 1 2 386.297 3.053 10 0 GGAELO CSC1(CNC(=O)N(C)C[C@@H](c2cccs2)[NH+]2CCOCC2)CCC1 ZINC000195100525 565858675 /nfs/dbraw/zinc/85/86/75/565858675.db2.gz DJUGCQZNNTUMHB-HNNXBMFYSA-N 1 2 383.583 3.049 10 0 GGAELO O=C(C[NH+]1C[C@@H]2CCCC[C@H]2C1)Nc1ccccc1I ZINC000177552887 565858783 /nfs/dbraw/zinc/85/87/83/565858783.db2.gz HYGCIBRIVLIGAZ-STQMWFEESA-N 1 2 384.261 3.352 10 0 GGAELO Cc1nc2n(n1)CCC[C@@H]2[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000177594322 565861961 /nfs/dbraw/zinc/86/19/61/565861961.db2.gz HEZRZIFFVYTHMG-AWEZNQCLSA-N 1 2 387.285 3.364 10 0 GGAELO Cn1c2c([nH+]c1[C@H]1CCCN1C(=O)c1ncccc1Br)CCCC2 ZINC000284635255 565861916 /nfs/dbraw/zinc/86/19/16/565861916.db2.gz OGPRGVVXCLNBGU-OAHLLOKOSA-N 1 2 389.297 3.434 10 0 GGAELO COC(=O)[C@H]1CSCCN(c2[nH+]ccc3cc(Br)ccc32)C1 ZINC000413613175 565862440 /nfs/dbraw/zinc/86/24/40/565862440.db2.gz VASMQKJABHOAQI-GFCCVEGCSA-N 1 2 381.295 3.340 10 0 GGAELO CO[C@H](C)c1noc(C[NH2+]C2(c3ccc(Br)cc3)CCOCC2)n1 ZINC000177658969 565865333 /nfs/dbraw/zinc/86/53/33/565865333.db2.gz LXDHLEXYFWGYGV-GFCCVEGCSA-N 1 2 396.285 3.335 10 0 GGAELO O[C@H](COc1cccc(Br)c1)C[N@@H+]1CCO[C@H](c2cccs2)C1 ZINC000177751478 565871541 /nfs/dbraw/zinc/87/15/41/565871541.db2.gz FUEJGJFHHXZQAU-HOCLYGCPSA-N 1 2 398.322 3.324 10 0 GGAELO O[C@H](COc1cccc(Br)c1)C[N@H+]1CCO[C@H](c2cccs2)C1 ZINC000177751478 565871547 /nfs/dbraw/zinc/87/15/47/565871547.db2.gz FUEJGJFHHXZQAU-HOCLYGCPSA-N 1 2 398.322 3.324 10 0 GGAELO C[C@@H](Oc1ccc(F)cc1Br)C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177758956 565872013 /nfs/dbraw/zinc/87/20/13/565872013.db2.gz HHGKDCJTJKOCCE-TZMCWYRMSA-N 1 2 396.260 3.243 10 0 GGAELO C[C@H](Oc1cccc(Br)c1)C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177795785 565874359 /nfs/dbraw/zinc/87/43/59/565874359.db2.gz LSEWYLJCXWKWTN-DZGCQCFKSA-N 1 2 378.270 3.104 10 0 GGAELO CN(C)c1[nH+]cccc1NC(=O)c1c(F)cccc1I ZINC000177865966 565877421 /nfs/dbraw/zinc/87/74/21/565877421.db2.gz SHFMGUNKRRFYJM-UHFFFAOYSA-N 1 2 385.180 3.144 10 0 GGAELO Cc1csc([C@H]2C[N@H+](C[C@H](O)COCc3ccc(Cl)cc3)CCO2)n1 ZINC000195396439 565880609 /nfs/dbraw/zinc/88/06/09/565880609.db2.gz CKZBQSOUAFNPCM-DLBZAZTESA-N 1 2 382.913 3.056 10 0 GGAELO Cc1csc([C@H]2C[N@@H+](C[C@H](O)COCc3ccc(Cl)cc3)CCO2)n1 ZINC000195396439 565880614 /nfs/dbraw/zinc/88/06/14/565880614.db2.gz CKZBQSOUAFNPCM-DLBZAZTESA-N 1 2 382.913 3.056 10 0 GGAELO O=C(NCc1ccn2cc[nH+]c2c1)NCc1cc(F)cc(Br)c1 ZINC000177927476 565881474 /nfs/dbraw/zinc/88/14/74/565881474.db2.gz YDOLLTSQUYOWMR-UHFFFAOYSA-N 1 2 377.217 3.235 10 0 GGAELO Cc1ccc([C@@H](CNC(=O)/C=C/c2cnc(C)s2)[NH+]2CCOCC2)s1 ZINC000177973520 565884334 /nfs/dbraw/zinc/88/43/34/565884334.db2.gz NGHRHEIXEQBECP-MQDFFIGUSA-N 1 2 377.535 3.024 10 0 GGAELO Cc1ncc(/C=C/C(=O)N(C)C[C@H](c2cccs2)[NH+]2CCOCC2)s1 ZINC000177968203 565884784 /nfs/dbraw/zinc/88/47/84/565884784.db2.gz VRQQYIOATBNMLX-SQRWCISFSA-N 1 2 377.535 3.058 10 0 GGAELO CCn1cc(C2CC[NH+](CC(=O)Nc3ccccc3Br)CC2)cn1 ZINC000195500578 565887747 /nfs/dbraw/zinc/88/77/47/565887747.db2.gz VDJXKSIWRAYROI-UHFFFAOYSA-N 1 2 391.313 3.484 10 0 GGAELO C[C@@H](CNC(=O)Nc1cc(Br)c(F)cc1Cl)[NH+]1CCOCC1 ZINC000177987351 565888124 /nfs/dbraw/zinc/88/81/24/565888124.db2.gz ACZUPBISWHQATC-VIFPVBQESA-N 1 2 394.672 3.084 10 0 GGAELO CN(C)c1cc(NC(=O)N2CCOC[C@@H](C3CCC3)C2)[nH+]cc1Br ZINC000333614267 565888711 /nfs/dbraw/zinc/88/87/11/565888711.db2.gz FKMNCNMLHCDVKG-ZDUSSCGKSA-N 1 2 397.317 3.191 10 0 GGAELO CN(Cc1cc(Br)cs1)C(=O)C[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000195507343 565889431 /nfs/dbraw/zinc/88/94/31/565889431.db2.gz JVSMPJLXUHNZGK-UHFFFAOYSA-N 1 2 397.342 3.072 10 0 GGAELO CN(C)c1cc(NC(=O)N2CCCc3occc3C2)[nH+]cc1Br ZINC000333651496 565891451 /nfs/dbraw/zinc/89/14/51/565891451.db2.gz KLVKXCYNYYYKAG-UHFFFAOYSA-N 1 2 379.258 3.483 10 0 GGAELO CN(C)c1cc(NC(=O)N2C[C@@]3(CCCO3)[C@@H]2C2CC2)[nH+]cc1Br ZINC000333688183 565892305 /nfs/dbraw/zinc/89/23/05/565892305.db2.gz QBWQRXCXPOOJEV-RDJZCZTQSA-N 1 2 395.301 3.085 10 0 GGAELO CN(C)c1cc(NC(=O)N[C@H]2CCCC23CCOCC3)[nH+]cc1Br ZINC000333685210 565892683 /nfs/dbraw/zinc/89/26/83/565892683.db2.gz PVZXCSZAWBGFNL-AWEZNQCLSA-N 1 2 397.317 3.381 10 0 GGAELO C[C@@H](Cn1cc(Br)ccc1=O)Nc1ccc(N2CCCCC2)c[nH+]1 ZINC000414092320 565894683 /nfs/dbraw/zinc/89/46/83/565894683.db2.gz FVRAUNCNSPBLKB-AWEZNQCLSA-N 1 2 391.313 3.497 10 0 GGAELO CCN1CCC[C@@H]([NH2+]Cc2cc(Br)c(O)c(Br)c2)C1 ZINC000219430529 565902447 /nfs/dbraw/zinc/90/24/47/565902447.db2.gz OVXPRZGHEFOTPY-LLVKDONJSA-N 1 2 392.135 3.491 10 0 GGAELO O=C([C@@H]1CCc2[nH+]c[nH]c2C1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000220550347 565903537 /nfs/dbraw/zinc/90/35/37/565903537.db2.gz QTPXCUFKXAWHHX-GFCCVEGCSA-N 1 2 379.291 3.170 10 0 GGAELO O=C([C@@H]1CCc2[nH]c[nH+]c2C1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000220550347 565903542 /nfs/dbraw/zinc/90/35/42/565903542.db2.gz QTPXCUFKXAWHHX-GFCCVEGCSA-N 1 2 379.291 3.170 10 0 GGAELO Brc1cccc(-c2cnc(C[N@@H+]3CCO[C@]4(CCCOC4)C3)o2)c1 ZINC000285429760 565906730 /nfs/dbraw/zinc/90/67/30/565906730.db2.gz WNMFFVDOUBALTJ-GOSISDBHSA-N 1 2 393.281 3.486 10 0 GGAELO Brc1cccc(-c2cnc(C[N@H+]3CCO[C@]4(CCCOC4)C3)o2)c1 ZINC000285429760 565906734 /nfs/dbraw/zinc/90/67/34/565906734.db2.gz WNMFFVDOUBALTJ-GOSISDBHSA-N 1 2 393.281 3.486 10 0 GGAELO O=C(NCc1ccn2cc[nH+]c2c1)c1c(F)cccc1I ZINC000178348771 565913468 /nfs/dbraw/zinc/91/34/68/565913468.db2.gz IDKHVXAKUFRQKS-UHFFFAOYSA-N 1 2 395.175 3.008 10 0 GGAELO C[C@@H](C[NH+]1CCOCC1)Nc1nccc(-c2sccc2Br)n1 ZINC000225387832 565914740 /nfs/dbraw/zinc/91/47/40/565914740.db2.gz UMEPYEFBDZSTGX-NSHDSACASA-N 1 2 383.315 3.100 10 0 GGAELO C[C@H](CC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C)c1ccc(Br)cc1 ZINC000285631609 565918716 /nfs/dbraw/zinc/91/87/16/565918716.db2.gz CWXGZKSDVYLBPI-IIDMSEBBSA-N 1 2 395.341 3.264 10 0 GGAELO Cn1nccc1C1=CC[N@H+](Cc2nnc(-c3ccc(Br)o3)o2)CC1 ZINC000285697022 565921600 /nfs/dbraw/zinc/92/16/00/565921600.db2.gz SCRICYJDFNZHRG-UHFFFAOYSA-N 1 2 390.241 3.115 10 0 GGAELO Cn1nccc1C1=CC[N@@H+](Cc2nnc(-c3ccc(Br)o3)o2)CC1 ZINC000285697022 565921606 /nfs/dbraw/zinc/92/16/06/565921606.db2.gz SCRICYJDFNZHRG-UHFFFAOYSA-N 1 2 390.241 3.115 10 0 GGAELO C[C@@H](CC(=O)NCC[N@@H+]1CCOCC1(C)C)c1ccc(Br)cc1 ZINC000178520005 565923579 /nfs/dbraw/zinc/92/35/79/565923579.db2.gz WQXRUQJYKKAPAT-AWEZNQCLSA-N 1 2 383.330 3.170 10 0 GGAELO C[C@@H](CC(=O)NCC[N@H+]1CCOCC1(C)C)c1ccc(Br)cc1 ZINC000178520005 565923583 /nfs/dbraw/zinc/92/35/83/565923583.db2.gz WQXRUQJYKKAPAT-AWEZNQCLSA-N 1 2 383.330 3.170 10 0 GGAELO C[C@@H](Cc1ccc(Br)cc1)NC(=O)N(C)CCCn1cc[nH+]c1 ZINC000178688705 565933076 /nfs/dbraw/zinc/93/30/76/565933076.db2.gz IBSWGYLVPIEDFT-AWEZNQCLSA-N 1 2 379.302 3.308 10 0 GGAELO Cn1c[nH+]cc1Cc1noc(-c2cc(Br)cnc2OCC2CC2)n1 ZINC000350187946 565933488 /nfs/dbraw/zinc/93/34/88/565933488.db2.gz CKQGNASRKZQLTB-UHFFFAOYSA-N 1 2 390.241 3.007 10 0 GGAELO FC(F)Oc1cc(C[NH2+]Cc2ncc(I)s2)ccn1 ZINC000285973522 565936250 /nfs/dbraw/zinc/93/62/50/565936250.db2.gz NRQQNILGNMGSRB-UHFFFAOYSA-N 1 2 397.188 3.034 10 0 GGAELO COC(=O)c1ccc(C[N@@H+]2CCO[C@@H](c3ccc(Br)cc3)C2)nc1 ZINC000285975781 565936520 /nfs/dbraw/zinc/93/65/20/565936520.db2.gz 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ZINC000648338001 566266303 /nfs/dbraw/zinc/26/63/03/566266303.db2.gz XPDQGNWGCJWCEG-SNVBAGLBSA-N 1 2 391.294 3.422 10 0 GGAELO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@H+](Cc2ccncc2Br)C1 ZINC000599470860 566268017 /nfs/dbraw/zinc/26/80/17/566268017.db2.gz YLWORXBSLCFDIT-MNOVXSKESA-N 1 2 381.192 3.018 10 0 GGAELO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@@H+](Cc2ccncc2Br)C1 ZINC000599470860 566268022 /nfs/dbraw/zinc/26/80/22/566268022.db2.gz YLWORXBSLCFDIT-MNOVXSKESA-N 1 2 381.192 3.018 10 0 GGAELO COc1ccc(C[N@@H+]2Cc3cnn(C)c3CC(C)(C)C2)c(Br)c1O ZINC000668846203 566270852 /nfs/dbraw/zinc/27/08/52/566270852.db2.gz SZRCDBBYUVBUHC-UHFFFAOYSA-N 1 2 394.313 3.481 10 0 GGAELO COc1ccc(C[N@H+]2Cc3cnn(C)c3CC(C)(C)C2)c(Br)c1O ZINC000668846203 566270860 /nfs/dbraw/zinc/27/08/60/566270860.db2.gz SZRCDBBYUVBUHC-UHFFFAOYSA-N 1 2 394.313 3.481 10 0 GGAELO Cn1ncc2c1CC(C)(C)CN(Cc1c[nH+]c3ccc(Br)cn13)C2 ZINC000668845863 566271442 /nfs/dbraw/zinc/27/14/42/566271442.db2.gz ITERPOSXEAHCLA-UHFFFAOYSA-N 1 2 388.313 3.415 10 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ZINC000669019863 566279209 /nfs/dbraw/zinc/27/92/09/566279209.db2.gz ZCIOUZYAYNWMOI-CQSZACIVSA-N 1 2 391.313 3.312 10 0 GGAELO C[C@H](CNC(=O)c1c(F)c(F)c(Br)c(F)c1F)Cn1cc[nH+]c1 ZINC000669017717 566279494 /nfs/dbraw/zinc/27/94/94/566279494.db2.gz FJKNVUFMFYFSSR-SSDOTTSWSA-N 1 2 394.166 3.268 10 0 GGAELO COC(=O)[C@@]1([NH2+]CCc2ccncc2)CCc2cc(Br)ccc2C1 ZINC000599594954 566279350 /nfs/dbraw/zinc/27/93/50/566279350.db2.gz NYXUWZULMAQNMK-LJQANCHMSA-N 1 2 389.293 3.077 10 0 GGAELO COC(=O)[C@@](C)(O)C[N@@H+]1CCC[C@H]1c1ccc(Br)cc1Cl ZINC000599634883 566280118 /nfs/dbraw/zinc/28/01/18/566280118.db2.gz CLIYAERNOBVFLM-ZFWWWQNUSA-N 1 2 376.678 3.163 10 0 GGAELO COC(=O)[C@@](C)(O)C[N@H+]1CCC[C@H]1c1ccc(Br)cc1Cl ZINC000599634883 566280124 /nfs/dbraw/zinc/28/01/24/566280124.db2.gz CLIYAERNOBVFLM-ZFWWWQNUSA-N 1 2 376.678 3.163 10 0 GGAELO COc1cc([C@@H](C)[NH2+]Cc2nnc(-c3ccc(Br)cc3)[nH]2)ccn1 ZINC000556265118 566280301 /nfs/dbraw/zinc/28/03/01/566280301.db2.gz ZUHKARPYUTUCQW-LLVKDONJSA-N 1 2 388.269 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ZINC000599633074 566280773 /nfs/dbraw/zinc/28/07/73/566280773.db2.gz XIKTXXKHFDXDRV-FIRCGALFSA-N 1 2 381.494 3.312 10 0 GGAELO COC(=O)c1sc2cccc(F)c2c1C[N@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000599633074 566280780 /nfs/dbraw/zinc/28/07/80/566280780.db2.gz XIKTXXKHFDXDRV-FIRCGALFSA-N 1 2 381.494 3.312 10 0 GGAELO Cc1cc(C(=O)NC2CC[NH+](Cc3ccncc3Br)CC2)c(C)o1 ZINC000625134449 566281950 /nfs/dbraw/zinc/28/19/50/566281950.db2.gz OMCLEBWGVALRGH-UHFFFAOYSA-N 1 2 392.297 3.448 10 0 GGAELO COC(=O)[C@@H]1CC[N@H+](Cc2cc(Br)cnc2OC)[C@@H]2CCC[C@H]21 ZINC000599647337 566282330 /nfs/dbraw/zinc/28/23/30/566282330.db2.gz MGRJDIAWSDJARR-RRFJBIMHSA-N 1 2 383.286 3.016 10 0 GGAELO COC(=O)[C@@H]1CC[N@@H+](Cc2cc(Br)cnc2OC)[C@@H]2CCC[C@H]21 ZINC000599647337 566282334 /nfs/dbraw/zinc/28/23/34/566282334.db2.gz MGRJDIAWSDJARR-RRFJBIMHSA-N 1 2 383.286 3.016 10 0 GGAELO CC(C)(C)OC(=O)C(C)(C)[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000599647741 566282962 /nfs/dbraw/zinc/28/29/62/566282962.db2.gz 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LCFQYZYYPBVGNQ-QGZVFWFLSA-N 1 2 399.304 3.192 10 0 GGAELO CS(=O)(=O)c1ccc(-c2nc(C[N@@H+]3CC[C@H]4CC[C@@H](C3)S4)co2)cc1 ZINC000625776321 566357991 /nfs/dbraw/zinc/35/79/91/566357991.db2.gz DUPCJQHRJJVNSS-CVEARBPZSA-N 1 2 378.519 3.215 10 0 GGAELO CS(=O)(=O)c1ccc(-c2nc(C[N@H+]3CC[C@H]4CC[C@@H](C3)S4)co2)cc1 ZINC000625776321 566357996 /nfs/dbraw/zinc/35/79/96/566357996.db2.gz DUPCJQHRJJVNSS-CVEARBPZSA-N 1 2 378.519 3.215 10 0 GGAELO C[N@H+](Cc1nc2ccc(Br)cc2[nH]1)[C@H](CC(N)=O)c1ccccc1 ZINC000483112398 566358254 /nfs/dbraw/zinc/35/82/54/566358254.db2.gz SDDYNHSOJPHHTB-MRXNPFEDSA-N 1 2 387.281 3.374 10 0 GGAELO C[N@@H+](Cc1nc2ccc(Br)cc2[nH]1)[C@H](CC(N)=O)c1ccccc1 ZINC000483112398 566358257 /nfs/dbraw/zinc/35/82/57/566358257.db2.gz SDDYNHSOJPHHTB-MRXNPFEDSA-N 1 2 387.281 3.374 10 0 GGAELO OC[C@]1([NH2+]Cc2noc(C3CCC3)n2)CCc2cc(Br)ccc2C1 ZINC000625796063 566358817 /nfs/dbraw/zinc/35/88/17/566358817.db2.gz DPUWTPPCESDRMG-SFHVURJKSA-N 1 2 392.297 3.109 10 0 GGAELO COc1cc(Br)ccc1[C@H]1CCC[N@@H+]1C[C@H](C)CS(C)(=O)=O ZINC000625793853 566359862 /nfs/dbraw/zinc/35/98/62/566359862.db2.gz DEGJLITUBPRNIE-SWLSCSKDSA-N 1 2 390.343 3.275 10 0 GGAELO COc1cc(Br)ccc1[C@H]1CCC[N@H+]1C[C@H](C)CS(C)(=O)=O ZINC000625793853 566359869 /nfs/dbraw/zinc/35/98/69/566359869.db2.gz DEGJLITUBPRNIE-SWLSCSKDSA-N 1 2 390.343 3.275 10 0 GGAELO OC[C@@]1([NH2+]Cc2noc(C3CCC3)n2)CCc2cc(Br)ccc2C1 ZINC000625796062 566360034 /nfs/dbraw/zinc/36/00/34/566360034.db2.gz DPUWTPPCESDRMG-GOSISDBHSA-N 1 2 392.297 3.109 10 0 GGAELO O=C(NCCc1cn2c([nH+]1)CCCC2)[C@@H]1CCc2cc(Br)ccc21 ZINC000576585569 566360277 /nfs/dbraw/zinc/36/02/77/566360277.db2.gz BELVCSLGXYVVDN-QGZVFWFLSA-N 1 2 388.309 3.371 10 0 GGAELO Cc1cc(Br)cn2cc(CNC(=O)N3C[C@H](C)O[C@@H](C)[C@@H]3C)[nH+]c12 ZINC000446650804 566360554 /nfs/dbraw/zinc/36/05/54/566360554.db2.gz YXXRRQHWNPTUBO-AVGNSLFASA-N 1 2 395.301 3.113 10 0 GGAELO CC1(C)[C@H](O)CC[N@@H+]1Cc1cc(Br)cc(Br)c1N ZINC000462860882 566361306 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C[N@@H+]1CC[C@H](NS(=O)(=O)c2cc(F)ccc2F)[C@@H]1c1ccc(Cl)cc1 ZINC000536323047 566364723 /nfs/dbraw/zinc/36/47/23/566364723.db2.gz BXKNQMZHHKKMEX-RDJZCZTQSA-N 1 2 386.851 3.342 10 0 GGAELO C[N@H+]1CC[C@H](NS(=O)(=O)c2cc(F)ccc2F)[C@@H]1c1ccc(Cl)cc1 ZINC000536323047 566364727 /nfs/dbraw/zinc/36/47/27/566364727.db2.gz BXKNQMZHHKKMEX-RDJZCZTQSA-N 1 2 386.851 3.342 10 0 GGAELO Cc1c(Cl)c(C[NH2+]C[C@H](O)COc2cccc(Cl)c2Cl)nn1C ZINC000421327450 566366268 /nfs/dbraw/zinc/36/62/68/566366268.db2.gz QHHYFAHLNKTIQQ-JTQLQIEISA-N 1 2 378.687 3.218 10 0 GGAELO CC(C)Oc1ccnc(C[NH+]2CCN(c3ccc(Br)cn3)CC2)c1 ZINC000649480212 566368120 /nfs/dbraw/zinc/36/81/20/566368120.db2.gz YXWHTIJOSLGBEJ-UHFFFAOYSA-N 1 2 391.313 3.349 10 0 GGAELO COc1cc(C[N@@H+]2CC[C@]23CCOC3)cc(Br)c1OC(F)F ZINC000421396087 566370354 /nfs/dbraw/zinc/37/03/54/566370354.db2.gz JNPZYXJCOWUCEC-OAHLLOKOSA-N 1 2 378.213 3.424 10 0 GGAELO COc1cc(C[N@H+]2CC[C@]23CCOC3)cc(Br)c1OC(F)F ZINC000421396087 566370359 /nfs/dbraw/zinc/37/03/59/566370359.db2.gz JNPZYXJCOWUCEC-OAHLLOKOSA-N 1 2 378.213 3.424 10 0 GGAELO C[C@H]1OCC[C@@H]1[N@H+](CCO)CC(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000483297266 566370735 /nfs/dbraw/zinc/37/07/35/566370735.db2.gz SPZQYPKCTDZBKR-RNCFNFMXSA-N 1 2 381.687 3.057 10 0 GGAELO C[C@H]1OCC[C@@H]1[N@@H+](CCO)CC(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000483297266 566370741 /nfs/dbraw/zinc/37/07/41/566370741.db2.gz SPZQYPKCTDZBKR-RNCFNFMXSA-N 1 2 381.687 3.057 10 0 GGAELO C[C@H]1OCC[C@H]1[N@H+](CCO)CC(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000483297265 566371086 /nfs/dbraw/zinc/37/10/86/566371086.db2.gz SPZQYPKCTDZBKR-NOZJJQNGSA-N 1 2 381.687 3.057 10 0 GGAELO C[C@H]1OCC[C@H]1[N@@H+](CCO)CC(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000483297265 566371090 /nfs/dbraw/zinc/37/10/90/566371090.db2.gz SPZQYPKCTDZBKR-NOZJJQNGSA-N 1 2 381.687 3.057 10 0 GGAELO COC(=O)c1cc(Br)ccc1S(=O)(=O)Cc1ccc(C)[nH+]c1C ZINC000600894326 566372165 /nfs/dbraw/zinc/37/21/65/566372165.db2.gz SCVWOPYOHKOPHB-UHFFFAOYSA-N 1 2 398.278 3.221 10 0 GGAELO Cc1cc(Br)ccc1[C@@H]1CCC[N@@H+]1CC(=O)NC[C@H]1CCCO1 ZINC000626009633 566374505 /nfs/dbraw/zinc/37/45/05/566374505.db2.gz NNGICGMFCXCEHZ-WBVHZDCISA-N 1 2 381.314 3.190 10 0 GGAELO Cc1cc(Br)ccc1[C@@H]1CCC[N@H+]1CC(=O)NC[C@H]1CCCO1 ZINC000626009633 566374510 /nfs/dbraw/zinc/37/45/10/566374510.db2.gz NNGICGMFCXCEHZ-WBVHZDCISA-N 1 2 381.314 3.190 10 0 GGAELO C[C@H]([NH2+]Cc1cc2n(n1)CCC2)c1cc2c(cc1Br)OCCO2 ZINC000649574164 566375107 /nfs/dbraw/zinc/37/51/07/566375107.db2.gz BXEXBSRVAYSNDR-NSHDSACASA-N 1 2 378.270 3.214 10 0 GGAELO Cc1cc(Br)ccc1[C@@H]1CCC[N@@H+]1Cc1coc(S(N)(=O)=O)c1 ZINC000626010157 566375695 /nfs/dbraw/zinc/37/56/95/566375695.db2.gz IPUDYBLNDMMWGV-HNNXBMFYSA-N 1 2 399.310 3.335 10 0 GGAELO Cc1cc(Br)ccc1[C@@H]1CCC[N@H+]1Cc1coc(S(N)(=O)=O)c1 ZINC000626010157 566375702 /nfs/dbraw/zinc/37/57/02/566375702.db2.gz IPUDYBLNDMMWGV-HNNXBMFYSA-N 1 2 399.310 3.335 10 0 GGAELO Cc1cc(Br)ccc1[C@H]1CCC[N@@H+]1Cc1coc(S(N)(=O)=O)c1 ZINC000626010158 566376857 /nfs/dbraw/zinc/37/68/57/566376857.db2.gz IPUDYBLNDMMWGV-OAHLLOKOSA-N 1 2 399.310 3.335 10 0 GGAELO Cc1cc(Br)ccc1[C@H]1CCC[N@H+]1Cc1coc(S(N)(=O)=O)c1 ZINC000626010158 566376863 /nfs/dbraw/zinc/37/68/63/566376863.db2.gz IPUDYBLNDMMWGV-OAHLLOKOSA-N 1 2 399.310 3.335 10 0 GGAELO Cc1cc(Br)ccc1[C@H]1CCC[N@@H+]1CC(=O)Nc1cnccn1 ZINC000626009963 566377133 /nfs/dbraw/zinc/37/71/33/566377133.db2.gz ALEUFQBTBBEEAQ-OAHLLOKOSA-N 1 2 375.270 3.323 10 0 GGAELO Cc1cc(Br)ccc1[C@H]1CCC[N@H+]1CC(=O)Nc1cnccn1 ZINC000626009963 566377138 /nfs/dbraw/zinc/37/71/38/566377138.db2.gz ALEUFQBTBBEEAQ-OAHLLOKOSA-N 1 2 375.270 3.323 10 0 GGAELO CNC(=O)C[C@H]([NH2+]Cc1nc2ccc(Br)cc2[nH]1)c1ccccc1 ZINC000483416263 566382565 /nfs/dbraw/zinc/38/25/65/566382565.db2.gz XGIYUQCBZGVERC-HNNXBMFYSA-N 1 2 387.281 3.292 10 0 GGAELO Cc1cn2c([nH+]1)C[C@H](C(=O)N1CCc3c(F)cc(Br)cc3C1)CC2 ZINC000626091452 566384567 /nfs/dbraw/zinc/38/45/67/566384567.db2.gz WVYPUSYMNQYHRB-GFCCVEGCSA-N 1 2 392.272 3.240 10 0 GGAELO Cc1cn2c([nH+]1)C[C@@H](C(=O)N[C@H](C)Cc1ccccc1Br)CC2 ZINC000626096131 566385035 /nfs/dbraw/zinc/38/50/35/566385035.db2.gz PSJMLMWCOIHSDR-DOMZBBRYSA-N 1 2 376.298 3.264 10 0 GGAELO Cc1sc2nc(C[NH+]3CCCC3)nc(N[C@H](C)CC[S@](C)=O)c2c1C ZINC000447072739 566385127 /nfs/dbraw/zinc/38/51/27/566385127.db2.gz NKMROLIUTSWPFQ-YDBLSZJJSA-N 1 2 380.583 3.473 10 0 GGAELO C[C@@H]1C[C@H](CO)CC[N@@H+]1Cc1noc(Cc2ccc(Br)cc2)n1 ZINC000626118594 566385742 /nfs/dbraw/zinc/38/57/42/566385742.db2.gz BTZHMIZVYYRPHC-TZMCWYRMSA-N 1 2 380.286 3.016 10 0 GGAELO C[C@@H]1C[C@H](CO)CC[N@H+]1Cc1noc(Cc2ccc(Br)cc2)n1 ZINC000626118594 566385748 /nfs/dbraw/zinc/38/57/48/566385748.db2.gz BTZHMIZVYYRPHC-TZMCWYRMSA-N 1 2 380.286 3.016 10 0 GGAELO CC[N@@H+]1CC[C@@H](NS(=O)(=O)CCCCF)[C@H]1c1ccc(Cl)c(F)c1 ZINC000557432014 566386021 /nfs/dbraw/zinc/38/60/21/566386021.db2.gz AKZLIADPBMVLMZ-HZPDHXFCSA-N 1 2 380.888 3.284 10 0 GGAELO CC[N@H+]1CC[C@@H](NS(=O)(=O)CCCCF)[C@H]1c1ccc(Cl)c(F)c1 ZINC000557432014 566386031 /nfs/dbraw/zinc/38/60/31/566386031.db2.gz AKZLIADPBMVLMZ-HZPDHXFCSA-N 1 2 380.888 3.284 10 0 GGAELO CCn1c(C[NH2+]Cc2ccc(C(=O)OC)o2)nc2cc(Br)ccc21 ZINC000483486350 566386270 /nfs/dbraw/zinc/38/62/70/566386270.db2.gz CASSLUMUXHLBLU-UHFFFAOYSA-N 1 2 392.253 3.488 10 0 GGAELO O=C(NC[C@H]1CC12CCSCC2)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000421593201 566387385 /nfs/dbraw/zinc/38/73/85/566387385.db2.gz VQJFDCAXXFTZBP-QZTJIDSGSA-N 1 2 376.591 3.426 10 0 GGAELO Cn1nnc2cc(C[N@@H+]3CCc4cc(F)cc(Br)c4C3)ccc21 ZINC000626132550 566387981 /nfs/dbraw/zinc/38/79/81/566387981.db2.gz NYPAGTGLNSWWDA-UHFFFAOYSA-N 1 2 375.245 3.428 10 0 GGAELO Cn1nnc2cc(C[N@H+]3CCc4cc(F)cc(Br)c4C3)ccc21 ZINC000626132550 566387988 /nfs/dbraw/zinc/38/79/88/566387988.db2.gz NYPAGTGLNSWWDA-UHFFFAOYSA-N 1 2 375.245 3.428 10 0 GGAELO COc1ccc(Br)cc1C[N@@H+]1CCn2c(CC3CC3)nnc2C1 ZINC000649706012 566388022 /nfs/dbraw/zinc/38/80/22/566388022.db2.gz SGGYRJKHXGEHKS-UHFFFAOYSA-N 1 2 377.286 3.018 10 0 GGAELO 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CCOc1cc(C[N@H+]2CC[C@@](O)(C(F)F)C2)cc(Br)c1OC ZINC000449478794 566567216 /nfs/dbraw/zinc/56/72/16/566567216.db2.gz YPXCNALMMFCECX-HNNXBMFYSA-N 1 2 380.229 3.058 10 0 GGAELO CCOc1cc(C[N@@H+]2CC[C@](O)(C(F)F)C2)cc(Br)c1OC ZINC000449478796 566568121 /nfs/dbraw/zinc/56/81/21/566568121.db2.gz YPXCNALMMFCECX-OAHLLOKOSA-N 1 2 380.229 3.058 10 0 GGAELO CCOc1cc(C[N@H+]2CC[C@](O)(C(F)F)C2)cc(Br)c1OC ZINC000449478796 566568125 /nfs/dbraw/zinc/56/81/25/566568125.db2.gz YPXCNALMMFCECX-OAHLLOKOSA-N 1 2 380.229 3.058 10 0 GGAELO Cn1cc(Br)c(C[NH2+]Cc2ccc(OC[C@H]3CCCO3)cc2)n1 ZINC000449486484 566568819 /nfs/dbraw/zinc/56/88/19/566568819.db2.gz UNGRNRSKGZOAIF-OAHLLOKOSA-N 1 2 380.286 3.030 10 0 GGAELO Cc1ccc(NC(=O)C[C@H](C)[NH2+]Cc2nn(C)cc2Br)c(C)c1 ZINC000449487762 566569400 /nfs/dbraw/zinc/56/94/00/566569400.db2.gz ZCZRJNQCTWUAFJ-ZDUSSCGKSA-N 1 2 379.302 3.306 10 0 GGAELO COc1ccc(C2CC[NH+](Cc3c(Br)c(C)nn3C)CC2)nc1 ZINC000651870161 566569825 /nfs/dbraw/zinc/56/98/25/566569825.db2.gz 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ZINC000651895237 566573252 /nfs/dbraw/zinc/57/32/52/566573252.db2.gz DLVKRGQGBLHLDS-UHFFFAOYSA-N 1 2 376.298 3.491 10 0 GGAELO CS(=O)(=O)C[C@H]1CCCC[N@@H+]1Cc1cnc(-c2c(F)cccc2F)s1 ZINC000449542315 566573558 /nfs/dbraw/zinc/57/35/58/566573558.db2.gz LZDQMMOEPREVGQ-GFCCVEGCSA-N 1 2 386.489 3.487 10 0 GGAELO CS(=O)(=O)C[C@H]1CCCC[N@H+]1Cc1cnc(-c2c(F)cccc2F)s1 ZINC000449542315 566573563 /nfs/dbraw/zinc/57/35/63/566573563.db2.gz LZDQMMOEPREVGQ-GFCCVEGCSA-N 1 2 386.489 3.487 10 0 GGAELO COc1cc(Br)ccc1[C@H]1CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000628675319 566573831 /nfs/dbraw/zinc/57/38/31/566573831.db2.gz BJIRZQYCWZUYSM-OAHLLOKOSA-N 1 2 378.270 3.477 10 0 GGAELO COc1cc(Br)ccc1[C@H]1CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000628675319 566573841 /nfs/dbraw/zinc/57/38/41/566573841.db2.gz BJIRZQYCWZUYSM-OAHLLOKOSA-N 1 2 378.270 3.477 10 0 GGAELO COc1cc(Br)ccc1[C@H]1CCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC000628675782 566573864 /nfs/dbraw/zinc/57/38/64/566573864.db2.gz FUKYPDBPUVDPEM-OAHLLOKOSA-N 1 2 378.270 3.395 10 0 GGAELO COc1cc(Br)ccc1[C@@H]1CCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC000628675779 566574486 /nfs/dbraw/zinc/57/44/86/566574486.db2.gz FUKYPDBPUVDPEM-HNNXBMFYSA-N 1 2 378.270 3.395 10 0 GGAELO COc1cc(Br)ccc1[C@H]1CCCN1C(=O)Cc1c[nH+]cn1C ZINC000628676167 566574635 /nfs/dbraw/zinc/57/46/35/566574635.db2.gz JETVEACLGDMAHY-OAHLLOKOSA-N 1 2 378.270 3.097 10 0 GGAELO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)c1cnc(OC)c(Br)c1 ZINC000424822011 566575414 /nfs/dbraw/zinc/57/54/14/566575414.db2.gz AHJPQRPFAHKRNQ-AWEZNQCLSA-N 1 2 393.285 3.437 10 0 GGAELO CCn1cc[nH+]c1[C@@H](C)NC(=O)Cc1noc2ccc(Br)cc12 ZINC000424872968 566582926 /nfs/dbraw/zinc/58/29/26/566582926.db2.gz NUZSCBLSCBIQGM-SNVBAGLBSA-N 1 2 377.242 3.227 10 0 GGAELO CCCn1ncnc1C[NH2+][C@@](C)(CC(=O)OC)c1ccc(Br)cc1 ZINC000513139418 566582993 /nfs/dbraw/zinc/58/29/93/566582993.db2.gz RAQPXSQYKQEXIX-KRWDZBQOSA-N 1 2 395.301 3.019 10 0 GGAELO Cc1c(C[N@H+](C)Cc2nc(-c3cc(Br)cs3)no2)cnn1C ZINC000560001875 566583722 /nfs/dbraw/zinc/58/37/22/566583722.db2.gz HJHVXSLKDJKEEH-UHFFFAOYSA-N 1 2 382.287 3.235 10 0 GGAELO Cc1c(C[N@@H+](C)Cc2nc(-c3cc(Br)cs3)no2)cnn1C ZINC000560001875 566583733 /nfs/dbraw/zinc/58/37/33/566583733.db2.gz HJHVXSLKDJKEEH-UHFFFAOYSA-N 1 2 382.287 3.235 10 0 GGAELO COC(=O)C[C@](C)([NH2+]Cc1ncnn1C(C)C)c1ccc(Br)cc1 ZINC000513159025 566584525 /nfs/dbraw/zinc/58/45/25/566584525.db2.gz JXCNSHJYYZCYCJ-KRWDZBQOSA-N 1 2 395.301 3.190 10 0 GGAELO CCc1ncc(C[NH2+]Cc2ncc(Br)cc2Br)o1 ZINC000449608353 566585548 /nfs/dbraw/zinc/58/55/48/566585548.db2.gz GYPGEDDFYJOWHT-UHFFFAOYSA-N 1 2 375.064 3.447 10 0 GGAELO Cc1cc(Br)cn2c(CN3CC[C@H]([C@H](O)C(F)(F)F)C3)c[nH+]c12 ZINC000449671170 566587357 /nfs/dbraw/zinc/58/73/57/566587357.db2.gz KDIMQUBJJLVXJA-GWCFXTLKSA-N 1 2 392.219 3.150 10 0 GGAELO CCn1c(CNC(=O)C[C@@H](C)n2cc[nH+]c2)nc2cc(Br)ccc21 ZINC000579236672 566591920 /nfs/dbraw/zinc/59/19/20/566591920.db2.gz GDIMISLHXFEYCJ-GFCCVEGCSA-N 1 2 390.285 3.283 10 0 GGAELO C[N@H+](CCC(F)(F)F)[C@@H](CNS(=O)(=O)C1CC1)c1ccc(Cl)cc1 ZINC000560058903 566592101 /nfs/dbraw/zinc/59/21/01/566592101.db2.gz RZKRCDICXAVOAV-AWEZNQCLSA-N 1 2 384.851 3.347 10 0 GGAELO C[N@@H+](CCC(F)(F)F)[C@@H](CNS(=O)(=O)C1CC1)c1ccc(Cl)cc1 ZINC000560058903 566592107 /nfs/dbraw/zinc/59/21/07/566592107.db2.gz RZKRCDICXAVOAV-AWEZNQCLSA-N 1 2 384.851 3.347 10 0 GGAELO COCc1cnc(C[NH2+]Cc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)s1 ZINC000560077515 566595517 /nfs/dbraw/zinc/59/55/17/566595517.db2.gz RXSQOWCDIYQYBD-UHFFFAOYSA-N 1 2 394.440 3.002 10 0 GGAELO O=C(NCc1ccc(Br)c(F)c1F)C1CC[NH+](CC(F)F)CC1 ZINC000628894281 566595829 /nfs/dbraw/zinc/59/58/29/566595829.db2.gz XSJYLPUQRASKJN-UHFFFAOYSA-N 1 2 397.210 3.321 10 0 GGAELO CN(C)c1[nH+]cccc1CNC(=O)N1CCc2ccc(Br)cc2C1 ZINC000560080853 566596323 /nfs/dbraw/zinc/59/63/23/566596323.db2.gz ACFYLYNGIIBYTM-UHFFFAOYSA-N 1 2 389.297 3.178 10 0 GGAELO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)c1cc(Cl)sc1Cl ZINC000605138968 566596843 /nfs/dbraw/zinc/59/68/43/566596843.db2.gz REQCOBOQAKMOOK-LBPRGKRZSA-N 1 2 399.347 3.390 10 0 GGAELO Cc1cc[nH+]cc1N1CCN(C(=O)NCc2cc(Br)cs2)CC1 ZINC000539703522 566597241 /nfs/dbraw/zinc/59/72/41/566597241.db2.gz RRASDFDUVRSYIL-UHFFFAOYSA-N 1 2 395.326 3.246 10 0 GGAELO CC[N@@H+]1CC[C@H](NS(=O)(=O)N(C)CC(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539757635 566600223 /nfs/dbraw/zinc/60/02/23/566600223.db2.gz CIQGOWFZIWBPDD-IRXDYDNUSA-N 1 2 391.940 3.037 10 0 GGAELO CC[N@H+]1CC[C@H](NS(=O)(=O)N(C)CC(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539757635 566600232 /nfs/dbraw/zinc/60/02/32/566600232.db2.gz CIQGOWFZIWBPDD-IRXDYDNUSA-N 1 2 391.940 3.037 10 0 GGAELO C[C@H](C[N@H+](Cc1cc(Br)ccc1F)C1CC1)CS(C)(=O)=O ZINC000466826764 566600165 /nfs/dbraw/zinc/60/01/65/566600165.db2.gz QWCUPPGOEICWRU-LLVKDONJSA-N 1 2 378.307 3.233 10 0 GGAELO C[C@H](C[N@@H+](Cc1cc(Br)ccc1F)C1CC1)CS(C)(=O)=O ZINC000466826764 566600170 /nfs/dbraw/zinc/60/01/70/566600170.db2.gz QWCUPPGOEICWRU-LLVKDONJSA-N 1 2 378.307 3.233 10 0 GGAELO CC[C@H]1C(=O)NCC[N@H+]1Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000513424911 566601466 /nfs/dbraw/zinc/60/14/66/566601466.db2.gz MOVICZMBIDDBLJ-AWEZNQCLSA-N 1 2 380.311 3.283 10 0 GGAELO CC[C@H]1C(=O)NCC[N@@H+]1Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000513424911 566601472 /nfs/dbraw/zinc/60/14/72/566601472.db2.gz MOVICZMBIDDBLJ-AWEZNQCLSA-N 1 2 380.311 3.283 10 0 GGAELO COc1sc(C[NH+]2CCN(c3ccc(OC)cn3)CC2)cc1Br ZINC000449770894 566601646 /nfs/dbraw/zinc/60/16/46/566601646.db2.gz XLJMXMICSIDIBE-UHFFFAOYSA-N 1 2 398.326 3.245 10 0 GGAELO CC[C@@H]1C(=O)NCC[N@H+]1Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000513424912 566602168 /nfs/dbraw/zinc/60/21/68/566602168.db2.gz MOVICZMBIDDBLJ-CQSZACIVSA-N 1 2 380.311 3.283 10 0 GGAELO CC[C@@H]1C(=O)NCC[N@@H+]1Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000513424912 566602170 /nfs/dbraw/zinc/60/21/70/566602170.db2.gz MOVICZMBIDDBLJ-CQSZACIVSA-N 1 2 380.311 3.283 10 0 GGAELO C[C@H](c1noc([C@H](c2ccccc2)[NH+](C)C)n1)n1cc(Br)cn1 ZINC000579353263 566602504 /nfs/dbraw/zinc/60/25/04/566602504.db2.gz WNDNSIYBRMTPHS-RISCZKNCSA-N 1 2 376.258 3.289 10 0 GGAELO COCc1cc[nH+]c(N[C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)c1 ZINC000652330272 566603461 /nfs/dbraw/zinc/60/34/61/566603461.db2.gz BDSQDIDXPJQVBE-CQSZACIVSA-N 1 2 397.294 3.321 10 0 GGAELO O=C(Cc1cn2c([nH+]1)CCCC2)NC1(Cc2ccccc2Br)CC1 ZINC000652329756 566603940 /nfs/dbraw/zinc/60/39/40/566603940.db2.gz HPJUCBQFDDMDJQ-UHFFFAOYSA-N 1 2 388.309 3.416 10 0 GGAELO O=C([C@@H](c1ccc(Br)cc1)[NH+]1CCCC1)N1CCO[C@@H](CCF)C1 ZINC000629016726 566605678 /nfs/dbraw/zinc/60/56/78/566605678.db2.gz CEQULNBHSQZBIL-DLBZAZTESA-N 1 2 399.304 3.173 10 0 GGAELO O=C(N[C@@H]1CSc2ccc(Br)cc21)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000579419095 566607513 /nfs/dbraw/zinc/60/75/13/566607513.db2.gz CBFHUPUICSIOMK-QMTHXVAHSA-N 1 2 393.310 3.176 10 0 GGAELO O=C(N[C@@H]1CSc2ccc(Br)cc21)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000579419095 566607518 /nfs/dbraw/zinc/60/75/18/566607518.db2.gz CBFHUPUICSIOMK-QMTHXVAHSA-N 1 2 393.310 3.176 10 0 GGAELO O=C(N[C@H]1CSc2ccc(Br)cc21)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000579419096 566607863 /nfs/dbraw/zinc/60/78/63/566607863.db2.gz CBFHUPUICSIOMK-YGRLFVJLSA-N 1 2 393.310 3.176 10 0 GGAELO O=C(N[C@H]1CSc2ccc(Br)cc21)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000579419096 566607868 /nfs/dbraw/zinc/60/78/68/566607868.db2.gz CBFHUPUICSIOMK-YGRLFVJLSA-N 1 2 393.310 3.176 10 0 GGAELO Cn1cc(-c2ccnc(/C=C\c3c[nH+]c4ccc(Br)cn34)n2)cn1 ZINC000539855689 566609146 /nfs/dbraw/zinc/60/91/46/566609146.db2.gz SNKHNUOEOHEBKW-ARJAWSKDSA-N 1 2 381.237 3.458 10 0 GGAELO C[C@@H](NC(=O)c1c(Cl)cc(F)cc1Br)[C@@H](C)[NH+]1CCOCC1 ZINC000449845462 566609210 /nfs/dbraw/zinc/60/92/10/566609210.db2.gz PRTLKPSXBRIZAV-NXEZZACHSA-N 1 2 393.684 3.081 10 0 GGAELO C[NH+](C)Cc1ccc(NS(=O)(=O)c2ccccc2F)cc1Br ZINC000466962038 566610168 /nfs/dbraw/zinc/61/01/68/566610168.db2.gz ANENQFZODDHKJF-UHFFFAOYSA-N 1 2 387.274 3.451 10 0 GGAELO O=C(Cc1cn2c([nH+]1)CCCC2)N1CCC[C@@H]1c1ccc(Br)cn1 ZINC000652429711 566610407 /nfs/dbraw/zinc/61/04/07/566610407.db2.gz NQKRBDCEPKNQOZ-MRXNPFEDSA-N 1 2 389.297 3.283 10 0 GGAELO COC(=O)c1ccc(C[NH2+][C@H](C)c2ccncc2OC)c(Br)c1 ZINC000560258750 566612061 /nfs/dbraw/zinc/61/20/61/566612061.db2.gz CIOKDYQYXSIIEN-LLVKDONJSA-N 1 2 379.254 3.490 10 0 GGAELO CCCc1[nH+]c2ccccc2n1CCC(=O)NCc1n[nH]cc1Br ZINC000539889347 566612215 /nfs/dbraw/zinc/61/22/15/566612215.db2.gz FRNRLGLVBHMWCE-UHFFFAOYSA-N 1 2 390.285 3.181 10 0 GGAELO Cc1c[nH+]c(CCSc2ccc(S(=O)(=O)N3CCCC3)cn2)c(C)c1 ZINC000579471779 566612421 /nfs/dbraw/zinc/61/24/21/566612421.db2.gz YRAIMTCTWPTBDY-UHFFFAOYSA-N 1 2 377.535 3.213 10 0 GGAELO C[C@@H]1C[C@H](NS(=O)(=O)c2c(Cl)cccc2Br)c2[nH+]ccn21 ZINC000560315821 566615123 /nfs/dbraw/zinc/61/51/23/566615123.db2.gz KRVKZOVKHQUBKG-KCJUWKMLSA-N 1 2 390.690 3.283 10 0 GGAELO O=C(c1cc(Br)c(F)cc1O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000449907060 566615364 /nfs/dbraw/zinc/61/53/64/566615364.db2.gz LILPQWYNDCGDMC-LBPRGKRZSA-N 1 2 385.277 3.384 10 0 GGAELO O=C(NCCCOc1ccc(Cl)cc1Cl)C1([NH+]2CCOCC2)CCC1 ZINC000539937897 566615480 /nfs/dbraw/zinc/61/54/80/566615480.db2.gz 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Brc1ccc(-c2nc(C[N@H+]3CCN4CCOC[C@@H]4C3)cs2)cc1 ZINC000541701189 566742681 /nfs/dbraw/zinc/74/26/81/566742681.db2.gz FZAZRFHWFTZZHO-INIZCTEOSA-N 1 2 394.338 3.089 10 0 GGAELO COC(=O)[C@@H]([NH2+]C[C@H](O)COc1c(Cl)cccc1Cl)C1CCCCC1 ZINC000541691851 566743005 /nfs/dbraw/zinc/74/30/05/566743005.db2.gz QSVJOGZXCOOFKN-BBRMVZONSA-N 1 2 390.307 3.445 10 0 GGAELO O=C(NCCc1cn2ccccc2[nH+]1)[C@@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21 ZINC000630631597 566744255 /nfs/dbraw/zinc/74/42/55/566744255.db2.gz VLRBFTOGBUQSQM-NZSAHSFTSA-N 1 2 396.288 3.341 10 0 GGAELO CN(C)c1[nH+]cccc1CNC(=O)C1=Cc2cc(Br)ccc2OC1 ZINC000516100012 566745552 /nfs/dbraw/zinc/74/55/52/566745552.db2.gz VQTMUHGPRAFJIX-UHFFFAOYSA-N 1 2 388.265 3.002 10 0 GGAELO Cc1ccc2[nH+]c(CNC(=O)c3[nH]nc4ccc(Br)cc43)cn2c1 ZINC000561901727 566747814 /nfs/dbraw/zinc/74/78/14/566747814.db2.gz DXCBCIGBYFASKM-UHFFFAOYSA-N 1 2 384.237 3.212 10 0 GGAELO CN(C)c1ccc(CNC(=O)[C@@H]2[C@@H]3Cc4cc(Br)ccc4[C@@H]32)c[nH+]1 ZINC000630714678 566748163 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CSCCCCNC(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000541839415 566754103 /nfs/dbraw/zinc/75/41/03/566754103.db2.gz OQWGTOWMDDWWNX-UHFFFAOYSA-N 1 2 385.331 3.348 10 0 GGAELO CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@H]1CCSc2ccc(Br)cc21 ZINC000469026307 566754241 /nfs/dbraw/zinc/75/42/41/566754241.db2.gz RTXHSANVVHPFLY-GJZGRUSLSA-N 1 2 399.354 3.165 10 0 GGAELO CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@H]1CCSc2ccc(Br)cc21 ZINC000469026307 566754244 /nfs/dbraw/zinc/75/42/44/566754244.db2.gz RTXHSANVVHPFLY-GJZGRUSLSA-N 1 2 399.354 3.165 10 0 GGAELO CCN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@@H]1CCSc2ccc(Br)cc21 ZINC000469026494 566755028 /nfs/dbraw/zinc/75/50/28/566755028.db2.gz RTXHSANVVHPFLY-HUUCEWRRSA-N 1 2 399.354 3.165 10 0 GGAELO CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@@H]1CCSc2ccc(Br)cc21 ZINC000469026494 566755032 /nfs/dbraw/zinc/75/50/32/566755032.db2.gz RTXHSANVVHPFLY-HUUCEWRRSA-N 1 2 399.354 3.165 10 0 GGAELO Cc1ccc(CC(=O)N2CC[NH+]([C@H](CO)c3ccc(Cl)cc3)CC2)s1 ZINC000677595998 566756039 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O=C(C[NH2+][C@@H](CCO)c1ccccc1Br)Nc1ccccc1F ZINC000541948189 566761251 /nfs/dbraw/zinc/76/12/51/566761251.db2.gz HTFIBJHRTRRBAE-HNNXBMFYSA-N 1 2 381.245 3.240 10 0 GGAELO O=C(NCc1cc2cc(Br)ccc2[nH]1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000469113677 566761552 /nfs/dbraw/zinc/76/15/52/566761552.db2.gz VESYCIYWPUIKQT-UHFFFAOYSA-N 1 2 396.248 3.441 10 0 GGAELO CO[C@H](CCNC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1)C(F)(F)F ZINC000469127564 566764255 /nfs/dbraw/zinc/76/42/55/566764255.db2.gz TZSXMWPVPXIWDK-GXTWGEPZSA-N 1 2 379.448 3.104 10 0 GGAELO C[C@@H]1CC[C@]2(CC[N@H+](Cc3nnnn3-c3ccccc3Br)C2)C1 ZINC000516504299 566765751 /nfs/dbraw/zinc/76/57/51/566765751.db2.gz LFGUIMJXDQCZLJ-DYVFJYSZSA-N 1 2 376.302 3.437 10 0 GGAELO C[C@@H]1CC[C@]2(CC[N@@H+](Cc3nnnn3-c3ccccc3Br)C2)C1 ZINC000516504299 566765761 /nfs/dbraw/zinc/76/57/61/566765761.db2.gz LFGUIMJXDQCZLJ-DYVFJYSZSA-N 1 2 376.302 3.437 10 0 GGAELO Cc1cc(=O)[nH]c([C@@H](C)N2CC[NH+](Cc3ccc(Br)cc3)CC2)n1 ZINC000581290537 566765774 /nfs/dbraw/zinc/76/57/74/566765774.db2.gz XABTYZDEWZUCSR-CQSZACIVSA-N 1 2 391.313 3.132 10 0 GGAELO Cc1c(Br)ccc(C(=O)N2CC[NH+](CCOC(C)C)CC2)c1F ZINC000469181783 566769419 /nfs/dbraw/zinc/76/94/19/566769419.db2.gz YERKWGVNDSRZFE-UHFFFAOYSA-N 1 2 387.293 3.079 10 0 GGAELO CC[N@@H+]1CC[C@H](NC(=O)NC[C@H](C)SC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000542044874 566771655 /nfs/dbraw/zinc/77/16/55/566771655.db2.gz MGNOVSKUFACGHR-FSBGKCOPSA-N 1 2 375.460 3.290 10 0 GGAELO CC[N@H+]1CC[C@H](NC(=O)NC[C@H](C)SC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000542044874 566771662 /nfs/dbraw/zinc/77/16/62/566771662.db2.gz MGNOVSKUFACGHR-FSBGKCOPSA-N 1 2 375.460 3.290 10 0 GGAELO C[C@H](CC(F)(F)F)C(=O)N1CC[NH+]([C@H](CO)c2ccc(Cl)cc2)CC1 ZINC000655032550 566773025 /nfs/dbraw/zinc/77/30/25/566773025.db2.gz AGNDAXSGDQWORN-IUODEOHRSA-N 1 2 378.822 3.106 10 0 GGAELO O=C(C[N@H+]1CCC[C@@H]1c1ccc(Br)cc1)N1CCOC[C@@H]1C1CC1 ZINC000677980537 566773018 /nfs/dbraw/zinc/77/30/18/566773018.db2.gz FAEMRDVSLFBPPI-QZTJIDSGSA-N 1 2 393.325 3.223 10 0 GGAELO O=C(C[N@@H+]1CCC[C@@H]1c1ccc(Br)cc1)N1CCOC[C@@H]1C1CC1 ZINC000677980537 566773021 /nfs/dbraw/zinc/77/30/21/566773021.db2.gz FAEMRDVSLFBPPI-QZTJIDSGSA-N 1 2 393.325 3.223 10 0 GGAELO CC1(C(=O)N2CC[NH+](CCc3ccc(Cl)c(Cl)c3)CC2)CCOCC1 ZINC000677976598 566773104 /nfs/dbraw/zinc/77/31/04/566773104.db2.gz DFLNAEGHFCVTJO-UHFFFAOYSA-N 1 2 385.335 3.497 10 0 GGAELO O=C(C[NH+](Cc1cccs1)Cc1cccs1)N1CCOC[C@H]1C1CC1 ZINC000677982015 566773159 /nfs/dbraw/zinc/77/31/59/566773159.db2.gz JDXFXTMHAYQANI-SFHVURJKSA-N 1 2 376.547 3.449 10 0 GGAELO CCc1n[nH]cc1C(=O)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000677976840 566773554 /nfs/dbraw/zinc/77/35/54/566773554.db2.gz LRNLEAHXBCRXBX-UHFFFAOYSA-N 1 2 381.307 3.279 10 0 GGAELO C[C@H](c1ccccc1Br)[N@H+](C)CC(=O)N1CCOC[C@H]1C1CC1 ZINC000677981327 566773879 /nfs/dbraw/zinc/77/38/79/566773879.db2.gz CEAVNELWKUVQCD-DYVFJYSZSA-N 1 2 381.314 3.079 10 0 GGAELO C[C@H](c1ccccc1Br)[N@@H+](C)CC(=O)N1CCOC[C@H]1C1CC1 ZINC000677981327 566773885 /nfs/dbraw/zinc/77/38/85/566773885.db2.gz CEAVNELWKUVQCD-DYVFJYSZSA-N 1 2 381.314 3.079 10 0 GGAELO O=C(C[N@H+]1CCC[C@H]1c1cccc(Br)c1)N1CCOC[C@H]1C1CC1 ZINC000677981171 566774233 /nfs/dbraw/zinc/77/42/33/566774233.db2.gz WLLMTAOISHUTRW-ROUUACIJSA-N 1 2 393.325 3.223 10 0 GGAELO O=C(C[N@@H+]1CCC[C@H]1c1cccc(Br)c1)N1CCOC[C@H]1C1CC1 ZINC000677981171 566774237 /nfs/dbraw/zinc/77/42/37/566774237.db2.gz WLLMTAOISHUTRW-ROUUACIJSA-N 1 2 393.325 3.223 10 0 GGAELO O=C(C[NH+](Cc1cccs1)Cc1cccs1)N1CCOC[C@@H]1C1CC1 ZINC000677982014 566774489 /nfs/dbraw/zinc/77/44/89/566774489.db2.gz JDXFXTMHAYQANI-GOSISDBHSA-N 1 2 376.547 3.449 10 0 GGAELO C[C@@H](c1ccccc1Br)[N@H+](C)CC(=O)N1CCOC[C@H]1C1CC1 ZINC000677981328 566774501 /nfs/dbraw/zinc/77/45/01/566774501.db2.gz CEAVNELWKUVQCD-GUYCJALGSA-N 1 2 381.314 3.079 10 0 GGAELO C[C@@H](c1ccccc1Br)[N@@H+](C)CC(=O)N1CCOC[C@H]1C1CC1 ZINC000677981328 566774504 /nfs/dbraw/zinc/77/45/04/566774504.db2.gz CEAVNELWKUVQCD-GUYCJALGSA-N 1 2 381.314 3.079 10 0 GGAELO C[C@@H]([NH2+]Cc1ncc(Br)cc1Cl)C(=O)NCc1ccccc1 ZINC000631051205 566774498 /nfs/dbraw/zinc/77/44/98/566774498.db2.gz QNGCNFJGHWECBS-LLVKDONJSA-N 1 2 382.689 3.292 10 0 GGAELO O=C(NCC1([NH+]2CCOCC2)CC1)c1ccc2scc(Br)c2c1 ZINC000451198220 566774571 /nfs/dbraw/zinc/77/45/71/566774571.db2.gz DPTKXMHTDCKHSX-UHFFFAOYSA-N 1 2 395.322 3.258 10 0 GGAELO COCCOc1ccc(C[NH2+]Cc2ncc(Br)cc2Cl)cn1 ZINC000631046438 566774705 /nfs/dbraw/zinc/77/47/05/566774705.db2.gz IBHHNQXTMWCCGP-UHFFFAOYSA-N 1 2 386.677 3.208 10 0 GGAELO Brc1ccc(Cc2nc(C[N@@H+]3CCC[C@]4(CCOC4)C3)no2)cc1 ZINC000581410810 566775147 /nfs/dbraw/zinc/77/51/47/566775147.db2.gz BWBPUORIZIEJAM-SFHVURJKSA-N 1 2 392.297 3.425 10 0 GGAELO Brc1ccc(Cc2nc(C[N@H+]3CCC[C@]4(CCOC4)C3)no2)cc1 ZINC000581410810 566775155 /nfs/dbraw/zinc/77/51/55/566775155.db2.gz BWBPUORIZIEJAM-SFHVURJKSA-N 1 2 392.297 3.425 10 0 GGAELO Cc1cccc(C(=O)Nc2ccc3[nH+]ccn3c2)c1I ZINC000609619381 566777357 /nfs/dbraw/zinc/77/73/57/566777357.db2.gz DGHKFYZCMLTGPP-UHFFFAOYSA-N 1 2 377.185 3.500 10 0 GGAELO CCOC(=O)C1([S@](C)=O)CC[NH+](CCc2cc(Cl)ccc2Cl)CC1 ZINC000451211793 566778895 /nfs/dbraw/zinc/77/88/95/566778895.db2.gz XCUYOXBWBGGRIY-DEOSSOPVSA-N 1 2 392.348 3.312 10 0 GGAELO Cc1nc(NC(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)cs1 ZINC000678053596 566778881 /nfs/dbraw/zinc/77/88/81/566778881.db2.gz VBVYJOIZANAURT-HOCLYGCPSA-N 1 2 380.901 3.298 10 0 GGAELO Cc1nc(NC(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)cs1 ZINC000678053596 566778888 /nfs/dbraw/zinc/77/88/88/566778888.db2.gz VBVYJOIZANAURT-HOCLYGCPSA-N 1 2 380.901 3.298 10 0 GGAELO CCOC(=O)C1([S@](C)=O)CC[NH+]([C@H](C)c2cccc(Cl)c2F)CC1 ZINC000451212498 566779030 /nfs/dbraw/zinc/77/90/30/566779030.db2.gz ZKWFEUBIYZGXPD-YYUOZPCZSA-N 1 2 375.893 3.316 10 0 GGAELO CN(Cc1ccc(Br)c(F)c1)C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000427574123 566779704 /nfs/dbraw/zinc/77/97/04/566779704.db2.gz VRXDCZDNUFCQTH-UHFFFAOYSA-N 1 2 389.228 3.441 10 0 GGAELO Brc1ccc2c(c1)[C@H]([NH2+]Cc1cn(C[C@@H]3CCOC3)nn1)CS2 ZINC000631123346 566782030 /nfs/dbraw/zinc/78/20/30/566782030.db2.gz RPCRPIBJTXZCDS-XHDPSFHLSA-N 1 2 395.326 3.014 10 0 GGAELO CC(C)n1ncnc1C[NH2+][C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000631122025 566782491 /nfs/dbraw/zinc/78/24/91/566782491.db2.gz VKCOHBBTQOXLGT-AWEZNQCLSA-N 1 2 382.295 3.451 10 0 GGAELO COc1ccc(Br)cc1C1(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC000655156712 566782737 /nfs/dbraw/zinc/78/27/37/566782737.db2.gz IHYHSUUITLIZLW-LLVKDONJSA-N 1 2 378.270 3.165 10 0 GGAELO COc1ccc(Br)cc1C1(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC000655156712 566782745 /nfs/dbraw/zinc/78/27/45/566782745.db2.gz IHYHSUUITLIZLW-LLVKDONJSA-N 1 2 378.270 3.165 10 0 GGAELO CCC(=O)N[C@H]1CCC[N@H+](CC[S@@](=O)c2cc(Cl)ccc2Cl)C1 ZINC000609800134 566786343 /nfs/dbraw/zinc/78/63/43/566786343.db2.gz LZGGXGWHWFFCRX-ZAMGYDSWSA-N 1 2 377.337 3.092 10 0 GGAELO CCC(=O)N[C@H]1CCC[N@@H+](CC[S@@](=O)c2cc(Cl)ccc2Cl)C1 ZINC000609800134 566786347 /nfs/dbraw/zinc/78/63/47/566786347.db2.gz LZGGXGWHWFFCRX-ZAMGYDSWSA-N 1 2 377.337 3.092 10 0 GGAELO Brc1ccccc1C1([NH2+]Cc2cn(C[C@H]3CCOC3)nn2)CCC1 ZINC000631166501 566787684 /nfs/dbraw/zinc/78/76/84/566787684.db2.gz JUJAJFDRYAIMBL-CQSZACIVSA-N 1 2 391.313 3.246 10 0 GGAELO O=C(NCCc1ccccc1Br)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000562422139 566790001 /nfs/dbraw/zinc/79/00/01/566790001.db2.gz UOAMESHDFHSHAW-MRXNPFEDSA-N 1 2 390.281 3.250 10 0 GGAELO Clc1cc(Br)ccc1C[NH2+]Cc1nnc(C2CCOCC2)[nH]1 ZINC000631213517 566790489 /nfs/dbraw/zinc/79/04/89/566790489.db2.gz MVAXCVAOTIRGDK-UHFFFAOYSA-N 1 2 385.693 3.404 10 0 GGAELO Cn1ncc(Br)c1C[NH2+]Cc1ncc(Br)cc1Cl ZINC000631206825 566791753 /nfs/dbraw/zinc/79/17/53/566791753.db2.gz KFJNOZDHKAWEDZ-UHFFFAOYSA-N 1 2 394.498 3.283 10 0 GGAELO C[N@H+](Cc1cn2cccc(F)c2n1)[C@H](CO)c1cccc(Br)c1 ZINC000678286297 566791954 /nfs/dbraw/zinc/79/19/54/566791954.db2.gz NUSVDLIFUSFNGJ-MRXNPFEDSA-N 1 2 378.245 3.401 10 0 GGAELO C[N@@H+](Cc1cn2cccc(F)c2n1)[C@H](CO)c1cccc(Br)c1 ZINC000678286297 566791963 /nfs/dbraw/zinc/79/19/63/566791963.db2.gz NUSVDLIFUSFNGJ-MRXNPFEDSA-N 1 2 378.245 3.401 10 0 GGAELO C[N@H+](CCN1CCCS1(=O)=O)Cc1cc(Cl)ccc1OC1CCCC1 ZINC000678297978 566793329 /nfs/dbraw/zinc/79/33/29/566793329.db2.gz POMPZGWDLNOMPA-UHFFFAOYSA-N 1 2 386.945 3.129 10 0 GGAELO C[N@@H+](CCN1CCCS1(=O)=O)Cc1cc(Cl)ccc1OC1CCCC1 ZINC000678297978 566793338 /nfs/dbraw/zinc/79/33/38/566793338.db2.gz POMPZGWDLNOMPA-UHFFFAOYSA-N 1 2 386.945 3.129 10 0 GGAELO Clc1ccc(-n2cc(C[N@@H+]3CCC[C@@H](n4ccnn4)C3)nn2)c(Cl)c1 ZINC000516966145 566795996 /nfs/dbraw/zinc/79/59/96/566795996.db2.gz BPTKQPAVDKEEMF-CQSZACIVSA-N 1 2 378.267 3.003 10 0 GGAELO Clc1ccc(-n2cc(C[N@H+]3CCC[C@@H](n4ccnn4)C3)nn2)c(Cl)c1 ZINC000516966145 566796001 /nfs/dbraw/zinc/79/60/01/566796001.db2.gz BPTKQPAVDKEEMF-CQSZACIVSA-N 1 2 378.267 3.003 10 0 GGAELO Brc1cnc(C[NH2+][C@H]2CCCn3nccc32)c(Br)c1 ZINC000631302227 566798528 /nfs/dbraw/zinc/79/85/28/566798528.db2.gz XABCVCHDIBGGJL-NSHDSACASA-N 1 2 386.091 3.428 10 0 GGAELO C[N@@H+]1CC[C@H](NS(=O)(=O)CC2CC(F)(F)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000451335359 566798995 /nfs/dbraw/zinc/79/89/95/566798995.db2.gz DBVIHLHEUVJMFE-GJZGRUSLSA-N 1 2 396.862 3.189 10 0 GGAELO C[N@H+]1CC[C@H](NS(=O)(=O)CC2CC(F)(F)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000451335359 566798999 /nfs/dbraw/zinc/79/89/99/566798999.db2.gz DBVIHLHEUVJMFE-GJZGRUSLSA-N 1 2 396.862 3.189 10 0 GGAELO Cc1cc(N[C@@H]2C[C@H](C)n3ncnc32)nc(-c2ccc(Br)cc2)[nH+]1 ZINC000631350887 566799414 /nfs/dbraw/zinc/79/94/14/566799414.db2.gz GZOCUNGHOFZACV-SMDDNHRTSA-N 1 2 385.269 3.346 10 0 GGAELO Cc1cc(N[C@H]2C[C@H](C)n3ncnc32)nc(-c2ccc(Br)cc2)[nH+]1 ZINC000631350885 566800209 /nfs/dbraw/zinc/80/02/09/566800209.db2.gz GZOCUNGHOFZACV-FZMZJTMJSA-N 1 2 385.269 3.346 10 0 GGAELO C[N@@H+]1CC[C@H](NS(=O)(=O)C[C@H]2CCCC2(F)F)[C@H]1c1ccc(Cl)cc1 ZINC000451356688 566801482 /nfs/dbraw/zinc/80/14/82/566801482.db2.gz RVJCPDKLYKWOTK-VNQPRFMTSA-N 1 2 392.899 3.440 10 0 GGAELO C[N@H+]1CC[C@H](NS(=O)(=O)C[C@H]2CCCC2(F)F)[C@H]1c1ccc(Cl)cc1 ZINC000451356688 566801488 /nfs/dbraw/zinc/80/14/88/566801488.db2.gz RVJCPDKLYKWOTK-VNQPRFMTSA-N 1 2 392.899 3.440 10 0 GGAELO C[C@@]12C[N@H+](Cc3nnnn3-c3ccccc3Br)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000451370032 566805692 /nfs/dbraw/zinc/80/56/92/566805692.db2.gz OAEDLKUZGVXQMH-NPSOMJIGSA-N 1 2 386.297 3.069 10 0 GGAELO C[C@@]12C[N@@H+](Cc3nnnn3-c3ccccc3Br)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000451370032 566805694 /nfs/dbraw/zinc/80/56/94/566805694.db2.gz OAEDLKUZGVXQMH-NPSOMJIGSA-N 1 2 386.297 3.069 10 0 GGAELO Cc1c([C@H](C)[NH2+]Cc2cc(C)ncn2)nnn1-c1cccc(Br)c1 ZINC000678604247 566807788 /nfs/dbraw/zinc/80/77/88/566807788.db2.gz BPHJZYACJXCOOR-LBPRGKRZSA-N 1 2 387.285 3.287 10 0 GGAELO Cc1cc(S(=O)(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)sc1C ZINC000678616480 566807898 /nfs/dbraw/zinc/80/78/98/566807898.db2.gz HSTABBCNELTERQ-INIZCTEOSA-N 1 2 375.519 3.361 10 0 GGAELO CCCn1ncnc1CN1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000562619878 566807915 /nfs/dbraw/zinc/80/79/15/566807915.db2.gz NFJNPXFCRVDCGF-UHFFFAOYSA-N 1 2 382.339 3.355 10 0 GGAELO Cn1cc(Br)c(C[NH2+]C[C@@H](O)COc2ccc(C(C)(C)C)cc2)n1 ZINC000517128927 566808260 /nfs/dbraw/zinc/80/82/60/566808260.db2.gz BKTFICGIKFWBSB-CQSZACIVSA-N 1 2 396.329 3.010 10 0 GGAELO Ic1cccnc1NC1CCN(c2cccc[nH+]2)CC1 ZINC000610129490 566809054 /nfs/dbraw/zinc/80/90/54/566809054.db2.gz YEPXUAZOVSWOKJ-UHFFFAOYSA-N 1 2 380.233 3.162 10 0 GGAELO Cn1c[nH+]c(CCNC(=O)NC2(c3ccc(Br)cc3)CCC2)c1 ZINC000562664348 566811645 /nfs/dbraw/zinc/81/16/45/566811645.db2.gz XDIWRPYHSVCGOW-UHFFFAOYSA-N 1 2 377.286 3.104 10 0 GGAELO OC1([C@H]2CCCC[N@@H+]2Cc2noc(Cc3ccc(Br)cc3)n2)CC1 ZINC000562683908 566814042 /nfs/dbraw/zinc/81/40/42/566814042.db2.gz KYQVHIHWCZVCPF-OAHLLOKOSA-N 1 2 392.297 3.302 10 0 GGAELO OC1([C@H]2CCCC[N@H+]2Cc2noc(Cc3ccc(Br)cc3)n2)CC1 ZINC000562683908 566814044 /nfs/dbraw/zinc/81/40/44/566814044.db2.gz KYQVHIHWCZVCPF-OAHLLOKOSA-N 1 2 392.297 3.302 10 0 GGAELO Cc1cc(Br)cn2cc(CCNC(=O)[C@H]3CCC(C)(C)O3)[nH+]c12 ZINC000469803000 566815139 /nfs/dbraw/zinc/81/51/39/566815139.db2.gz YNFYDJBVESDGHC-CQSZACIVSA-N 1 2 380.286 3.022 10 0 GGAELO Brc1cccc(N2CC[NH+](Cc3nc(-c4ccoc4)no3)CC2)c1 ZINC000581934557 566815242 /nfs/dbraw/zinc/81/52/42/566815242.db2.gz XYMKSMBKJPLJQT-UHFFFAOYSA-N 1 2 389.253 3.414 10 0 GGAELO COc1ccccc1[C@@H](C)[NH2+]Cc1nnnn1-c1ccccc1Br ZINC000678725553 566815640 /nfs/dbraw/zinc/81/56/40/566815640.db2.gz OCNBVAWFQWXACV-GFCCVEGCSA-N 1 2 388.269 3.284 10 0 GGAELO C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@@H+]1CC[C@](O)(C(F)F)C1 ZINC000451416062 566816025 /nfs/dbraw/zinc/81/60/25/566816025.db2.gz AETCIXPGZYEHFG-RMLUDKJBSA-N 1 2 386.748 3.388 10 0 GGAELO C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@H+]1CC[C@](O)(C(F)F)C1 ZINC000451416062 566816030 /nfs/dbraw/zinc/81/60/30/566816030.db2.gz AETCIXPGZYEHFG-RMLUDKJBSA-N 1 2 386.748 3.388 10 0 GGAELO COc1ccc([C@H](C)[NH2+]Cc2c(Br)cnn2C)cc1NC(C)=O ZINC000631685555 566816134 /nfs/dbraw/zinc/81/61/34/566816134.db2.gz WHZJNJAXWDCBMV-JTQLQIEISA-N 1 2 381.274 3.000 10 0 GGAELO C[C@H]([NH2+]Cc1nnc(C2CCOCC2)[nH]1)c1ccc(Br)cc1F ZINC000631693104 566816571 /nfs/dbraw/zinc/81/65/71/566816571.db2.gz IQEBDCNGCLGVTL-JTQLQIEISA-N 1 2 383.265 3.451 10 0 GGAELO C[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[N@@H+]1CC[C@](O)(C(F)F)C1 ZINC000451431139 566816966 /nfs/dbraw/zinc/81/69/66/566816966.db2.gz DPYDAFLQBFALOI-RMLUDKJBSA-N 1 2 386.748 3.388 10 0 GGAELO C[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[N@H+]1CC[C@](O)(C(F)F)C1 ZINC000451431139 566816972 /nfs/dbraw/zinc/81/69/72/566816972.db2.gz DPYDAFLQBFALOI-RMLUDKJBSA-N 1 2 386.748 3.388 10 0 GGAELO O[C@]1(C(F)F)CC[N@H+](Cc2ccc(I)c(Cl)c2)C1 ZINC000451425464 566817816 /nfs/dbraw/zinc/81/78/16/566817816.db2.gz HIRHNAJFQFDQKO-GFCCVEGCSA-N 1 2 387.595 3.147 10 0 GGAELO O[C@]1(C(F)F)CC[N@@H+](Cc2ccc(I)c(Cl)c2)C1 ZINC000451425464 566817819 /nfs/dbraw/zinc/81/78/19/566817819.db2.gz HIRHNAJFQFDQKO-GFCCVEGCSA-N 1 2 387.595 3.147 10 0 GGAELO Fc1ccc(Br)c2c1CC[C@H]2[NH2+]Cc1nnc(C2CCOCC2)[nH]1 ZINC000631695154 566818779 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Cc1cn2c([nH+]1)CN(C(=O)NCCc1ccc(Br)cc1Cl)CC2 ZINC000656033810 566866726 /nfs/dbraw/zinc/86/67/26/566866726.db2.gz NMEKHVBTQHIGDK-UHFFFAOYSA-N 1 2 397.704 3.375 10 0 GGAELO O=C(C[N@H+]1CCC[C@@H](OC(F)F)C1)NCCc1cccc(Cl)c1Cl ZINC000679678224 566867774 /nfs/dbraw/zinc/86/77/74/566867774.db2.gz KSRMVUNEMWUBKS-GFCCVEGCSA-N 1 2 381.250 3.356 10 0 GGAELO O=C(C[N@@H+]1CCC[C@@H](OC(F)F)C1)NCCc1cccc(Cl)c1Cl ZINC000679678224 566867780 /nfs/dbraw/zinc/86/77/80/566867780.db2.gz KSRMVUNEMWUBKS-GFCCVEGCSA-N 1 2 381.250 3.356 10 0 GGAELO FC(F)O[C@H]1CCC[N@H+](Cc2cc3c(cc2Br)OCCO3)C1 ZINC000679680098 566867889 /nfs/dbraw/zinc/86/78/89/566867889.db2.gz WTIOOEGGXAZBLJ-NSHDSACASA-N 1 2 378.213 3.424 10 0 GGAELO FC(F)O[C@H]1CCC[N@@H+](Cc2cc3c(cc2Br)OCCO3)C1 ZINC000679680098 566867892 /nfs/dbraw/zinc/86/78/92/566867892.db2.gz WTIOOEGGXAZBLJ-NSHDSACASA-N 1 2 378.213 3.424 10 0 GGAELO CC(C)(C)c1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H](OC(F)F)C2)cc1 ZINC000679680520 566868182 /nfs/dbraw/zinc/86/81/82/566868182.db2.gz IVANMMDWYYJJSU-OAHLLOKOSA-N 1 2 375.481 3.461 10 0 GGAELO CC(C)(C)c1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@H](OC(F)F)C2)cc1 ZINC000679680520 566868188 /nfs/dbraw/zinc/86/81/88/566868188.db2.gz IVANMMDWYYJJSU-OAHLLOKOSA-N 1 2 375.481 3.461 10 0 GGAELO C[C@H](NC(=O)C[N@@H+]1CCC[C@H](OC(F)F)C1)c1ccc(Br)cc1 ZINC000679683004 566868446 /nfs/dbraw/zinc/86/84/46/566868446.db2.gz VQWOLZQROKFBGK-FZMZJTMJSA-N 1 2 391.256 3.330 10 0 GGAELO C[C@H](NC(=O)C[N@H+]1CCC[C@H](OC(F)F)C1)c1ccc(Br)cc1 ZINC000679683004 566868448 /nfs/dbraw/zinc/86/84/48/566868448.db2.gz VQWOLZQROKFBGK-FZMZJTMJSA-N 1 2 391.256 3.330 10 0 GGAELO CC(C)(C)c1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@H](OC(F)F)C2)cc1 ZINC000679680519 566868551 /nfs/dbraw/zinc/86/85/51/566868551.db2.gz IVANMMDWYYJJSU-HNNXBMFYSA-N 1 2 375.481 3.461 10 0 GGAELO CC(C)(C)c1ccc(S(=O)(=O)CC[N@H+]2CCC[C@H](OC(F)F)C2)cc1 ZINC000679680519 566868557 /nfs/dbraw/zinc/86/85/57/566868557.db2.gz IVANMMDWYYJJSU-HNNXBMFYSA-N 1 2 375.481 3.461 10 0 GGAELO O=C(Nc1ccc2[nH+]ccn2c1)N[C@H](CCO)c1ccccc1Br ZINC000679763317 566871520 /nfs/dbraw/zinc/87/15/20/566871520.db2.gz AODPFNXSDAFKPD-OAHLLOKOSA-N 1 2 389.253 3.342 10 0 GGAELO Cc1cn2c([nH+]1)CN([C@H](C)C(=O)Nc1ccc(Br)c(C)c1)CC2 ZINC000679871926 566878872 /nfs/dbraw/zinc/87/88/72/566878872.db2.gz PKOIOVXZXGOBIP-CYBMUJFWSA-N 1 2 377.286 3.105 10 0 GGAELO CCN(CC)c1nc2sc(C(=O)N3CCn4cc(C)[nH+]c4C3)cc2s1 ZINC000679908872 566881569 /nfs/dbraw/zinc/88/15/69/566881569.db2.gz HGEVNCFJPKFSTN-UHFFFAOYSA-N 1 2 375.523 3.365 10 0 GGAELO Cc1cn2c([nH+]1)CN(C(=O)NCCCc1cccc(Br)c1)CC2 ZINC000679891917 566881604 /nfs/dbraw/zinc/88/16/04/566881604.db2.gz IMLLPFXQSGBIRS-UHFFFAOYSA-N 1 2 377.286 3.112 10 0 GGAELO CC[NH+](CC)Cc1csc(NS(=O)(=O)c2ccc(C(F)(F)F)nc2)n1 ZINC000656185347 566882997 /nfs/dbraw/zinc/88/29/97/566882997.db2.gz YQFWVYCUUJEODV-UHFFFAOYSA-N 1 2 394.444 3.200 10 0 GGAELO CC[C@@H]([NH2+]CCS(=O)(=O)c1ccc(Br)cc1)c1nccs1 ZINC000543450520 566882967 /nfs/dbraw/zinc/88/29/67/566882967.db2.gz IWCSLOZLBYKCJG-CYBMUJFWSA-N 1 2 389.340 3.420 10 0 GGAELO CCOCCOc1ccc(Br)cc1C[N@@H+]1CCn2cc(C)nc2C1 ZINC000680000512 566884086 /nfs/dbraw/zinc/88/40/86/566884086.db2.gz KCLCTTPHAIGJNY-UHFFFAOYSA-N 1 2 394.313 3.385 10 0 GGAELO CCOCCOc1ccc(Br)cc1C[N@H+]1CCn2cc(C)nc2C1 ZINC000680000512 566884095 /nfs/dbraw/zinc/88/40/95/566884095.db2.gz KCLCTTPHAIGJNY-UHFFFAOYSA-N 1 2 394.313 3.385 10 0 GGAELO Cn1cc([C@@H](NCc2cn3cc(Br)ccc3[nH+]2)C(F)(F)F)cn1 ZINC000680013578 566885816 /nfs/dbraw/zinc/88/58/16/566885816.db2.gz LVCJNVZCLYNWJJ-CYBMUJFWSA-N 1 2 388.191 3.224 10 0 GGAELO COc1ccc(Br)c(C[N@@H+]2CCCC[C@H]2CCS(C)(=O)=O)c1 ZINC000428857783 566886632 /nfs/dbraw/zinc/88/66/32/566886632.db2.gz TVXVNEDUWHOFEU-AWEZNQCLSA-N 1 2 390.343 3.247 10 0 GGAELO COc1ccc(Br)c(C[N@H+]2CCCC[C@H]2CCS(C)(=O)=O)c1 ZINC000428857783 566886636 /nfs/dbraw/zinc/88/66/36/566886636.db2.gz TVXVNEDUWHOFEU-AWEZNQCLSA-N 1 2 390.343 3.247 10 0 GGAELO Cc1c(Br)cccc1NC(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000563486310 566887026 /nfs/dbraw/zinc/88/70/26/566887026.db2.gz ZXSVRGPJSYLLAG-UHFFFAOYSA-N 1 2 390.281 3.237 10 0 GGAELO Cc1csc([C@H](C)[NH2+]Cc2cc(=O)n3cc(Br)ccc3n2)n1 ZINC000543509706 566887381 /nfs/dbraw/zinc/88/73/81/566887381.db2.gz SILDSEQVTNEEBF-JTQLQIEISA-N 1 2 379.283 3.073 10 0 GGAELO CCC(C)(C)NC(=O)C[NH2+][C@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000543549464 566888824 /nfs/dbraw/zinc/88/88/24/566888824.db2.gz RIPOSCIIDDVDTM-LLVKDONJSA-N 1 2 395.301 3.455 10 0 GGAELO CCC(C)(C)NC(=O)C[NH2+][C@@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000543549465 566889115 /nfs/dbraw/zinc/88/91/15/566889115.db2.gz RIPOSCIIDDVDTM-NSHDSACASA-N 1 2 395.301 3.455 10 0 GGAELO Cc1cc(Br)cc(C)c1CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000491022275 566890588 /nfs/dbraw/zinc/89/05/88/566890588.db2.gz PISMMBMLXDHTLH-GOSISDBHSA-N 1 2 395.341 3.326 10 0 GGAELO Cc1cc(Br)cc(C)c1CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000491022275 566890592 /nfs/dbraw/zinc/89/05/92/566890592.db2.gz PISMMBMLXDHTLH-GOSISDBHSA-N 1 2 395.341 3.326 10 0 GGAELO Cn1ccnc1CN1CC[NH+](Cc2oc3ccccc3c2Br)CC1 ZINC000656252728 566890849 /nfs/dbraw/zinc/89/08/49/566890849.db2.gz WFCRMZVQEXMKOS-UHFFFAOYSA-N 1 2 389.297 3.247 10 0 GGAELO COC(=O)C[C@@](C)([NH2+]Cc1nnc(C(C)C)[nH]1)c1ccc(Br)cc1 ZINC000428941625 566891416 /nfs/dbraw/zinc/89/14/16/566891416.db2.gz JRXNWIXIDSAANQ-QGZVFWFLSA-N 1 2 395.301 3.259 10 0 GGAELO CN(C)S(=O)(=O)[C@H]1CCC[N@H+](Cc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000518619173 566895766 /nfs/dbraw/zinc/89/57/66/566895766.db2.gz JHHXGOLQISWJFO-ZDUSSCGKSA-N 1 2 384.851 3.215 10 0 GGAELO CN(C)S(=O)(=O)[C@H]1CCC[N@@H+](Cc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000518619173 566895769 /nfs/dbraw/zinc/89/57/69/566895769.db2.gz JHHXGOLQISWJFO-ZDUSSCGKSA-N 1 2 384.851 3.215 10 0 GGAELO O=C(NCc1cn2ccccc2[nH+]1)Nc1ccc2nccnc2c1Br ZINC000491142084 566895896 /nfs/dbraw/zinc/89/58/96/566895896.db2.gz VVCQRENQJHNZHV-UHFFFAOYSA-N 1 2 397.236 3.362 10 0 GGAELO C[C@H]1CN(CC(F)(F)F)CC[N@H+](CC(=O)N(C)Cc2ccc(Cl)s2)C1 ZINC000451875389 566899011 /nfs/dbraw/zinc/89/90/11/566899011.db2.gz BQWXVOCXXUEZPG-GFCCVEGCSA-N 1 2 397.894 3.176 10 0 GGAELO C[C@H]1CN(CC(F)(F)F)CC[N@@H+](CC(=O)N(C)Cc2ccc(Cl)s2)C1 ZINC000451875389 566899021 /nfs/dbraw/zinc/89/90/21/566899021.db2.gz BQWXVOCXXUEZPG-GFCCVEGCSA-N 1 2 397.894 3.176 10 0 GGAELO Cc1cc(Cl)ccc1NC(=O)C[N@H+]1CCN(CC(F)(F)F)C[C@H](C)C1 ZINC000451876942 566899482 /nfs/dbraw/zinc/89/94/82/566899482.db2.gz ZJPOBQVRFJYMIG-GFCCVEGCSA-N 1 2 377.838 3.403 10 0 GGAELO Cc1cc(Cl)ccc1NC(=O)C[N@@H+]1CCN(CC(F)(F)F)C[C@H](C)C1 ZINC000451876942 566899486 /nfs/dbraw/zinc/89/94/86/566899486.db2.gz ZJPOBQVRFJYMIG-GFCCVEGCSA-N 1 2 377.838 3.403 10 0 GGAELO Cn1c(C[N@@H+]2CC[C@@H]([C@@H](O)C(F)(F)F)C2)nc2ccc(Br)cc21 ZINC000451885664 566900067 /nfs/dbraw/zinc/90/00/67/566900067.db2.gz HQTLGSPQTFNOIK-YMTOWFKASA-N 1 2 392.219 3.081 10 0 GGAELO Cn1c(C[N@H+]2CC[C@@H]([C@@H](O)C(F)(F)F)C2)nc2ccc(Br)cc21 ZINC000451885664 566900075 /nfs/dbraw/zinc/90/00/75/566900075.db2.gz HQTLGSPQTFNOIK-YMTOWFKASA-N 1 2 392.219 3.081 10 0 GGAELO O=C1[C@H]([N@@H+]2CC[C@H]([C@@H](O)C(F)(F)F)C2)CCN1c1ccc(Cl)cc1Cl ZINC000451884259 566900767 /nfs/dbraw/zinc/90/07/67/566900767.db2.gz GALKKAJWFHTJCY-CUOATXAZSA-N 1 2 397.224 3.344 10 0 GGAELO O=C1[C@H]([N@H+]2CC[C@H]([C@@H](O)C(F)(F)F)C2)CCN1c1ccc(Cl)cc1Cl ZINC000451884259 566900773 /nfs/dbraw/zinc/90/07/73/566900773.db2.gz GALKKAJWFHTJCY-CUOATXAZSA-N 1 2 397.224 3.344 10 0 GGAELO COc1cc(NC(=O)NCc2[nH+]ccn2CC(C)C)ncc1Br ZINC000680368567 566904272 /nfs/dbraw/zinc/90/42/72/566904272.db2.gz QBFJONLMSYSNSN-UHFFFAOYSA-N 1 2 382.262 3.027 10 0 GGAELO O=[S@](CC[N@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1)c1cc(Cl)ccc1Cl ZINC000451911295 566906024 /nfs/dbraw/zinc/90/60/24/566906024.db2.gz PMYYYCBOONNCMV-AMGHMGGWSA-N 1 2 390.254 3.346 10 0 GGAELO O=[S@](CC[N@@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1)c1cc(Cl)ccc1Cl ZINC000451911295 566906032 /nfs/dbraw/zinc/90/60/32/566906032.db2.gz PMYYYCBOONNCMV-AMGHMGGWSA-N 1 2 390.254 3.346 10 0 GGAELO CC(C)(CNC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1Br ZINC000518850431 566906954 /nfs/dbraw/zinc/90/69/54/566906954.db2.gz FQKQZOFQXCNTBM-LBPRGKRZSA-N 1 2 391.313 3.307 10 0 GGAELO CC(C)(CNC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1)c1ccccc1Br ZINC000518850431 566906958 /nfs/dbraw/zinc/90/69/58/566906958.db2.gz FQKQZOFQXCNTBM-LBPRGKRZSA-N 1 2 391.313 3.307 10 0 GGAELO C[C@H](C(=O)Nc1ccccc1Br)[N@@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000451915984 566907445 /nfs/dbraw/zinc/90/74/45/566907445.db2.gz WBHYYZNKNVQLCR-GBIKHYSHSA-N 1 2 395.219 3.021 10 0 GGAELO C[C@H](C(=O)Nc1ccccc1Br)[N@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000451915984 566907451 /nfs/dbraw/zinc/90/74/51/566907451.db2.gz WBHYYZNKNVQLCR-GBIKHYSHSA-N 1 2 395.219 3.021 10 0 GGAELO CC(C)(CNS(=O)(=O)c1cc(Br)sc1Cl)n1cc[nH+]c1 ZINC000632732877 566908891 /nfs/dbraw/zinc/90/88/91/566908891.db2.gz MBPCDZBFAXOYKE-UHFFFAOYSA-N 1 2 398.735 3.074 10 0 GGAELO Cc1nc(-c2ccc(S(=O)(=O)NCC(C)(C)n3cc[nH+]c3)s2)cs1 ZINC000632733246 566909301 /nfs/dbraw/zinc/90/93/01/566909301.db2.gz RZNIQNPPNSUEIN-UHFFFAOYSA-N 1 2 382.536 3.090 10 0 GGAELO O=c1[nH]ccc2c1C[N@H+](Cc1nc(-c3cc(Br)cs3)no1)CC2 ZINC000583000714 566913894 /nfs/dbraw/zinc/91/38/94/566913894.db2.gz GNYPRMKJKTVARK-UHFFFAOYSA-N 1 2 393.266 3.220 10 0 GGAELO O=c1[nH]ccc2c1C[N@@H+](Cc1nc(-c3cc(Br)cs3)no1)CC2 ZINC000583000714 566913897 /nfs/dbraw/zinc/91/38/97/566913897.db2.gz GNYPRMKJKTVARK-UHFFFAOYSA-N 1 2 393.266 3.220 10 0 GGAELO C[C@H](Cn1cc[nH+]c1)NC(=O)NCC1(Cc2ccc(Br)cc2)CC1 ZINC000656550225 566915619 /nfs/dbraw/zinc/91/56/19/566915619.db2.gz SICLWDXALXHEIQ-CQSZACIVSA-N 1 2 391.313 3.356 10 0 GGAELO CCOC(=O)c1sc(NC(=O)C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)cc1C ZINC000470950046 566915856 /nfs/dbraw/zinc/91/58/56/566915856.db2.gz YJSNYRONELJMFA-GHMZBOCLSA-N 1 2 378.416 3.444 10 0 GGAELO CCOC(=O)c1sc(NC(=O)C[N@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)cc1C ZINC000470950046 566915860 /nfs/dbraw/zinc/91/58/60/566915860.db2.gz YJSNYRONELJMFA-GHMZBOCLSA-N 1 2 378.416 3.444 10 0 GGAELO Cc1cc(Br)c(C[N@@H+]2CCC[C@H](N3CCNC3=O)C2)cc1Cl ZINC000519076088 566917922 /nfs/dbraw/zinc/91/79/22/566917922.db2.gz NOTCBUYCIMOESE-ZDUSSCGKSA-N 1 2 386.721 3.401 10 0 GGAELO Cc1cc(Br)c(C[N@H+]2CCC[C@H](N3CCNC3=O)C2)cc1Cl ZINC000519076088 566917928 /nfs/dbraw/zinc/91/79/28/566917928.db2.gz NOTCBUYCIMOESE-ZDUSSCGKSA-N 1 2 386.721 3.401 10 0 GGAELO COC(=O)c1c(C)c(C)sc1NC(=O)C[N@@H+]1CC[C@H](C(F)(F)F)[C@H]1C ZINC000470959092 566918888 /nfs/dbraw/zinc/91/88/88/566918888.db2.gz KMDYNKSLVOFHPN-KOLCDFICSA-N 1 2 378.416 3.363 10 0 GGAELO COC(=O)c1c(C)c(C)sc1NC(=O)C[N@H+]1CC[C@H](C(F)(F)F)[C@H]1C ZINC000470959092 566918893 /nfs/dbraw/zinc/91/88/93/566918893.db2.gz KMDYNKSLVOFHPN-KOLCDFICSA-N 1 2 378.416 3.363 10 0 GGAELO CN(C)c1[nH+]cccc1CNC(=O)N(C)Cc1ccc(Br)cc1F ZINC000632885701 566921015 /nfs/dbraw/zinc/92/10/15/566921015.db2.gz YGPHUVNMZXBCAA-UHFFFAOYSA-N 1 2 395.276 3.391 10 0 GGAELO CCN(CC)c1nc2sc(C(=O)N[C@@H]3CCc4[nH+]c[nH]c4C3)cc2s1 ZINC000583117399 566921282 /nfs/dbraw/zinc/92/12/82/566921282.db2.gz IMDXLWMHMYQXGN-SNVBAGLBSA-N 1 2 375.523 3.214 10 0 GGAELO 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CC[C@@H](NC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1)c1ccc(Cl)s1 ZINC000545406631 567048117 /nfs/dbraw/zinc/04/81/17/567048117.db2.gz OHBQHQWOQXEZTB-CYBMUJFWSA-N 1 2 379.917 3.483 10 0 GGAELO Cc1c(Br)ccnc1NC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000521214533 567048719 /nfs/dbraw/zinc/04/87/19/567048719.db2.gz DFTGPDZNGJEWBO-UHFFFAOYSA-N 1 2 390.281 3.237 10 0 GGAELO O=C(Nc1nnc(-c2c(F)cccc2Cl)s1)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000613616339 567049879 /nfs/dbraw/zinc/04/98/79/567049879.db2.gz RMGNWEMWUFNXIP-MRVPVSSYSA-N 1 2 377.832 3.464 10 0 GGAELO O=C(Nc1nnc(-c2c(F)cccc2Cl)s1)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000613616339 567049884 /nfs/dbraw/zinc/04/98/84/567049884.db2.gz RMGNWEMWUFNXIP-MRVPVSSYSA-N 1 2 377.832 3.464 10 0 GGAELO C[C@@H]([NH2+]Cc1ccc(OCCN2CCOCC2)c(Cl)c1)c1cscn1 ZINC000565243540 567050070 /nfs/dbraw/zinc/05/00/70/567050070.db2.gz CVNVMUCOGSZVOZ-CQSZACIVSA-N 1 2 381.929 3.358 10 0 GGAELO Cc1nc(N2CCN(C(=O)NCc3c(Cl)cccc3Cl)CC2)cc[nH+]1 ZINC000545436476 567050920 /nfs/dbraw/zinc/05/09/20/567050920.db2.gz FGOKMYLTNIEPBA-UHFFFAOYSA-N 1 2 380.279 3.124 10 0 GGAELO CCCn1nccc1C[NH2+]Cc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000657390462 567053154 /nfs/dbraw/zinc/05/31/54/567053154.db2.gz YDQJSEDFTOJASU-UHFFFAOYSA-N 1 2 375.274 3.131 10 0 GGAELO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1c(F)cccc1F)c1ncc(Br)cn1 ZINC000431088222 567053918 /nfs/dbraw/zinc/05/39/18/567053918.db2.gz DGDHZHDKVNTUDD-BDAKNGLRSA-N 1 2 385.212 3.195 10 0 GGAELO CCOc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ncc(Br)cn2)cc1 ZINC000431087947 567054091 /nfs/dbraw/zinc/05/40/91/567054091.db2.gz RHPLMXFFCZJCAJ-RYUDHWBXSA-N 1 2 393.285 3.316 10 0 GGAELO Cc1sccc1CC(=O)N1CC[NH+]([C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC000682517189 567054913 /nfs/dbraw/zinc/05/49/13/567054913.db2.gz QFFSISCCWCNTMO-SFHVURJKSA-N 1 2 378.925 3.130 10 0 GGAELO C[C@@H]([NH2+][C@@H]1CCN(c2cccc(Cl)c2)C1=O)c1ncc(Br)cn1 ZINC000431109275 567055035 /nfs/dbraw/zinc/05/50/35/567055035.db2.gz DGBSAQACABWXEP-QMTHXVAHSA-N 1 2 395.688 3.349 10 0 GGAELO Cc1ccc(F)cc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ncc(Br)cn1 ZINC000431106963 567055052 /nfs/dbraw/zinc/05/50/52/567055052.db2.gz PBJZEVYOWVECFJ-GHMZBOCLSA-N 1 2 381.249 3.364 10 0 GGAELO C[C@@H]([NH2+][C@@H](C)c1ncc(Br)cn1)C(=O)N(C)Cc1cccc(F)c1 ZINC000431102428 567055462 /nfs/dbraw/zinc/05/54/62/567055462.db2.gz LSPYOADIGPDYKC-NWDGAFQWSA-N 1 2 395.276 3.076 10 0 GGAELO Cc1ccc(F)cc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ncc(Br)cn1 ZINC000431107065 567055485 /nfs/dbraw/zinc/05/54/85/567055485.db2.gz PBJZEVYOWVECFJ-QWRGUYRKSA-N 1 2 381.249 3.364 10 0 GGAELO C[C@@H]([NH2+][C@H](C)c1ncc(Br)cn1)C(=O)NCc1ccccc1Cl ZINC000431115943 567056680 /nfs/dbraw/zinc/05/66/80/567056680.db2.gz CUPNXXUPIAIPEK-GHMZBOCLSA-N 1 2 397.704 3.248 10 0 GGAELO C[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C)c1ncc(Br)cn1 ZINC000431117208 567056703 /nfs/dbraw/zinc/05/67/03/567056703.db2.gz HGSZYGOSPVMKDS-DKBOKBLXSA-N 1 2 383.334 3.219 10 0 GGAELO CCc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ncc(Br)cn2)cc1 ZINC000431122129 567056997 /nfs/dbraw/zinc/05/69/97/567056997.db2.gz ZFEIXIBNSUGZCV-VXGBXAGGSA-N 1 2 377.286 3.479 10 0 GGAELO C[C@@H]([NH2+][C@@H](C)C(=O)N1c2ccccc2C[C@@H]1C)c1ncc(Br)cn1 ZINC000431122083 567057080 /nfs/dbraw/zinc/05/70/80/567057080.db2.gz YQKDHXOMJDFYDE-XQQFMLRXSA-N 1 2 389.297 3.256 10 0 GGAELO C[C@H]([NH2+][C@@H](C)c1ncc(Br)cn1)C(=O)N1c2ccccc2C[C@H]1C ZINC000431122080 567057136 /nfs/dbraw/zinc/05/71/36/567057136.db2.gz YQKDHXOMJDFYDE-AGIUHOORSA-N 1 2 389.297 3.256 10 0 GGAELO Cc1cc(Br)ccc1NC(=O)C[N@@H+]1CCO[C@@H](C(F)F)CC1 ZINC000634754982 567057660 /nfs/dbraw/zinc/05/76/60/567057660.db2.gz OUQQUFYHHSSPEJ-CYBMUJFWSA-N 1 2 377.229 3.052 10 0 GGAELO Cc1cc(Br)ccc1NC(=O)C[N@H+]1CCO[C@@H](C(F)F)CC1 ZINC000634754982 567057668 /nfs/dbraw/zinc/05/76/68/567057668.db2.gz OUQQUFYHHSSPEJ-CYBMUJFWSA-N 1 2 377.229 3.052 10 0 GGAELO C[C@H]([NH2+][C@@H]1CCCN(c2ccccc2)C1=O)c1ncc(Br)cn1 ZINC000431139607 567058314 /nfs/dbraw/zinc/05/83/14/567058314.db2.gz OMNWYKLUZCLTNI-SWLSCSKDSA-N 1 2 375.270 3.085 10 0 GGAELO Brc1ccc(-n2cc(C[NH2+]Cc3cn(C4CCC4)nn3)cn2)cc1 ZINC000657450468 567058803 /nfs/dbraw/zinc/05/88/03/567058803.db2.gz UWDMEXNHDGEQAI-UHFFFAOYSA-N 1 2 387.285 3.241 10 0 GGAELO Fc1cncc(Br)c1C[NH2+]Cc1ccncc1OC[C@@H]1CCOC1 ZINC000657466943 567059064 /nfs/dbraw/zinc/05/90/64/567059064.db2.gz SUXBFEHMBTWRMB-GFCCVEGCSA-N 1 2 396.260 3.083 10 0 GGAELO O=C([C@@H]1CCn2c[nH+]cc2C1)N1CCc2cc(Br)c(Cl)cc21 ZINC000682569974 567059439 /nfs/dbraw/zinc/05/94/39/567059439.db2.gz BRZDLKVPIHDCCA-LLVKDONJSA-N 1 2 380.673 3.451 10 0 GGAELO CC[N@@H+]1CC[C@H](NC(=O)Cn2cc(Cl)cn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000584673522 567059672 /nfs/dbraw/zinc/05/96/72/567059672.db2.gz OCCCFILFBGZXKQ-DOTOQJQBSA-N 1 2 385.270 3.281 10 0 GGAELO O=C([C@H]1CCn2c[nH+]cc2C1)N1CCc2cc(Br)c(Cl)cc21 ZINC000682569976 567059698 /nfs/dbraw/zinc/05/96/98/567059698.db2.gz BRZDLKVPIHDCCA-NSHDSACASA-N 1 2 380.673 3.451 10 0 GGAELO CC[N@H+]1CC[C@H](NC(=O)Cn2cc(Cl)cn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000584673522 567059678 /nfs/dbraw/zinc/05/96/78/567059678.db2.gz OCCCFILFBGZXKQ-DOTOQJQBSA-N 1 2 385.270 3.281 10 0 GGAELO O=C([C@H]1CCc2[nH+]ccn2C1)N1CCc2cc(Br)c(Cl)cc21 ZINC000682570401 567060970 /nfs/dbraw/zinc/06/09/70/567060970.db2.gz PXFCSGLYLXLRBE-NSHDSACASA-N 1 2 380.673 3.451 10 0 GGAELO CC[C@H]([NH2+]Cc1c(F)cncc1Br)C(=O)NCc1cccs1 ZINC000657499125 567062309 /nfs/dbraw/zinc/06/23/09/567062309.db2.gz VQCMOQLOWBOEPS-AWEZNQCLSA-N 1 2 386.290 3.229 10 0 GGAELO CC[C@@H]([NH2+]Cc1c(F)cncc1Br)C(=O)NCc1cccs1 ZINC000657499126 567062487 /nfs/dbraw/zinc/06/24/87/567062487.db2.gz VQCMOQLOWBOEPS-CQSZACIVSA-N 1 2 386.290 3.229 10 0 GGAELO C[N@@H+]1CC[C@H](NC(=O)c2cccc([S@@](C)=O)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000613807633 567064409 /nfs/dbraw/zinc/06/44/09/567064409.db2.gz ARPOZZSRHQUUQR-DPOKWSEZSA-N 1 2 376.909 3.253 10 0 GGAELO C[N@H+]1CC[C@H](NC(=O)c2cccc([S@@](C)=O)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000613807633 567064412 /nfs/dbraw/zinc/06/44/12/567064412.db2.gz ARPOZZSRHQUUQR-DPOKWSEZSA-N 1 2 376.909 3.253 10 0 GGAELO OC[C@@H]([NH2+]Cc1cc2c(cc1Br)OCCCO2)c1ccsc1 ZINC000473158089 567065735 /nfs/dbraw/zinc/06/57/35/567065735.db2.gz AZVVVPDHQAXSOB-CQSZACIVSA-N 1 2 384.295 3.495 10 0 GGAELO CS(=O)(=O)c1ccc(-c2nc(C[NH2+][C@@H](CO)c3ccsc3)cs2)cc1 ZINC000473165815 567066045 /nfs/dbraw/zinc/06/60/45/567066045.db2.gz GOTJQQZCLPWNOY-INIZCTEOSA-N 1 2 394.543 3.098 10 0 GGAELO O=C(Nc1ccn2cc[nH+]c2c1)N(CCO)Cc1cc(Br)cs1 ZINC000584750752 567066569 /nfs/dbraw/zinc/06/65/69/567066569.db2.gz NLYRVKDNOVFMAH-UHFFFAOYSA-N 1 2 395.282 3.185 10 0 GGAELO COc1cc(Br)ccc1[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000613865603 567067671 /nfs/dbraw/zinc/06/76/71/567067671.db2.gz HBCWYZNUNMSEBG-ZLKJLUDKSA-N 1 2 378.270 3.172 10 0 GGAELO COCCOCc1ccc(C[NH2+][C@H](C)c2ncc(Br)cn2)cc1 ZINC000521596810 567069040 /nfs/dbraw/zinc/06/90/40/567069040.db2.gz PAJMONMMLFGORR-CYBMUJFWSA-N 1 2 380.286 3.253 10 0 GGAELO O=C(NCc1cc(Cl)ccc1Br)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000521617320 567069151 /nfs/dbraw/zinc/06/91/51/567069151.db2.gz BBCMFQXFLITZDC-LLVKDONJSA-N 1 2 383.677 3.182 10 0 GGAELO O=C(NCc1cc(Cl)ccc1Br)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000521617320 567069158 /nfs/dbraw/zinc/06/91/58/567069158.db2.gz BBCMFQXFLITZDC-LLVKDONJSA-N 1 2 383.677 3.182 10 0 GGAELO CCOc1c(Br)cc(C[NH2+][C@H]2C[C@@H](C)n3ncnc32)cc1OC ZINC000657567496 567071127 /nfs/dbraw/zinc/07/11/27/567071127.db2.gz RRGHZJFRNJLFDO-MFKMUULPSA-N 1 2 381.274 3.244 10 0 GGAELO Cc1nn(-c2ccccc2Br)cc1C[NH2+][C@@H]1C[C@H](C)n2ncnc21 ZINC000657570903 567071563 /nfs/dbraw/zinc/07/15/63/567071563.db2.gz UXGPHPPWQOEGRU-XHDPSFHLSA-N 1 2 387.285 3.330 10 0 GGAELO C[C@H]1CN(C(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)CCC1=O ZINC000473266330 567072285 /nfs/dbraw/zinc/07/22/85/567072285.db2.gz UZSDCBFUPDBEGA-SUMWQHHRSA-N 1 2 379.298 3.024 10 0 GGAELO C[C@@H]([NH2+]Cc1nn(C)cc1Br)c1ccc(-n2cncn2)cc1Cl ZINC000453303041 567072740 /nfs/dbraw/zinc/07/27/40/567072740.db2.gz BBLTWIFIQSAXIC-SNVBAGLBSA-N 1 2 395.692 3.268 10 0 GGAELO COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]Cc1nn(C)cc1Br ZINC000453304159 567074000 /nfs/dbraw/zinc/07/40/00/567074000.db2.gz FCHLXKCXSFRAIG-SNVBAGLBSA-N 1 2 381.274 3.000 10 0 GGAELO C[C@@H]([NH2+]Cc1nn(C)cc1Br)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000453311175 567074867 /nfs/dbraw/zinc/07/48/67/567074867.db2.gz RWJADMAONIGHQN-SNVBAGLBSA-N 1 2 377.286 3.263 10 0 GGAELO COCc1n[nH]c(C[NH2+]Cc2ccc(-c3cccc(Br)c3)o2)n1 ZINC000657607068 567074977 /nfs/dbraw/zinc/07/49/77/567074977.db2.gz AJPMWRQDDIJPJY-UHFFFAOYSA-N 1 2 377.242 3.263 10 0 GGAELO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2nn(C)cc2Br)c2ccccc21 ZINC000453314931 567075046 /nfs/dbraw/zinc/07/50/46/567075046.db2.gz YXHHRVRIDYNLTB-GDBMZVCRSA-N 1 2 392.297 3.454 10 0 GGAELO COCc1n[nH]c(C[NH2+]Cc2ccc(Br)cc2C(F)(F)F)n1 ZINC000657608973 567075541 /nfs/dbraw/zinc/07/55/41/567075541.db2.gz GXEAJXFIGUSFFK-UHFFFAOYSA-N 1 2 379.180 3.022 10 0 GGAELO Cc1ccc2c(c1)[C@H]([NH2+]Cc1nn(C)cc1I)CCCO2 ZINC000453354622 567078081 /nfs/dbraw/zinc/07/80/81/567078081.db2.gz HRFVQLRRPPTWML-CQSZACIVSA-N 1 2 397.260 3.337 10 0 GGAELO Cc1cc(F)c(Br)cc1S(=O)(=O)Nc1ccc2[nH+]ccn2c1 ZINC000682898496 567081605 /nfs/dbraw/zinc/08/16/05/567081605.db2.gz DRTUEFGHLARNGX-UHFFFAOYSA-N 1 2 384.230 3.345 10 0 GGAELO COc1ccnc(C[NH2+]Cc2cc(Br)c3c(c2)OCCO3)c1F ZINC000657673786 567084152 /nfs/dbraw/zinc/08/41/52/567084152.db2.gz WSHGVZMWXZNAQQ-UHFFFAOYSA-N 1 2 383.217 3.053 10 0 GGAELO CSc1cc(Cl)ccc1NC(=O)C(=O)NCc1[nH+]ccn1CC(C)C ZINC000657675946 567084210 /nfs/dbraw/zinc/08/42/10/567084210.db2.gz IXPXKCVTJMQJMI-UHFFFAOYSA-N 1 2 380.901 3.169 10 0 GGAELO Oc1cccc(N2CC[NH+](Cc3cccc(I)c3)CC2)c1 ZINC000585765275 567087263 /nfs/dbraw/zinc/08/72/63/567087263.db2.gz QVRPNVWVHZVEES-UHFFFAOYSA-N 1 2 394.256 3.319 10 0 GGAELO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]Cc1c(C2CCC2)cnn1C ZINC000657718732 567087763 /nfs/dbraw/zinc/08/77/63/567087763.db2.gz AWYBUIBECUYEDB-UHFFFAOYSA-N 1 2 381.929 3.424 10 0 GGAELO Cc1cc(C)c(S(=O)(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)s1 ZINC000431524182 567088001 /nfs/dbraw/zinc/08/80/01/567088001.db2.gz 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C[C@H](CNS(=O)(=O)c1ccc2ncsc2c1)[N@H+]1CCc2sccc2C1 ZINC000547473408 567213505 /nfs/dbraw/zinc/21/35/05/567213505.db2.gz BJLLNSSDEROTMI-GFCCVEGCSA-N 1 2 393.559 3.083 10 0 GGAELO O=C(C[N@H+](Cc1cc(Br)ccc1F)C[C@@H]1CCCO1)N1CCCC1 ZINC000524766615 567213498 /nfs/dbraw/zinc/21/34/98/567213498.db2.gz SDCJVBYXETVTKL-INIZCTEOSA-N 1 2 399.304 3.192 10 0 GGAELO O=C(C[N@@H+](Cc1cc(Br)ccc1F)C[C@@H]1CCCO1)N1CCCC1 ZINC000524766615 567213501 /nfs/dbraw/zinc/21/35/01/567213501.db2.gz SDCJVBYXETVTKL-INIZCTEOSA-N 1 2 399.304 3.192 10 0 GGAELO CSc1cccc(NC(=O)C[NH2+][C@@H](C)c2ncc(Br)cn2)c1 ZINC000432996321 567214262 /nfs/dbraw/zinc/21/42/62/567214262.db2.gz ZZNQTKFMMGDODQ-JTQLQIEISA-N 1 2 381.299 3.250 10 0 GGAELO CC[C@H]([NH2+][C@@H](C)c1ncc(Br)cn1)C(=O)Nc1ccc(OC)cc1 ZINC000433010624 567215681 /nfs/dbraw/zinc/21/56/81/567215681.db2.gz YFFDQWMLZDWPLZ-NHYWBVRUSA-N 1 2 393.285 3.316 10 0 GGAELO COc1ccc(CCC(=O)N[C@@H]2C[C@@H](C)n3cc[nH+]c32)c(Br)c1 ZINC000615962601 567216034 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385.291 3.187 10 0 GGAELO O=C(N[C@H]1COc2c1ccc(Cl)c2Cl)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000499159403 567227213 /nfs/dbraw/zinc/22/72/13/567227213.db2.gz GABKEVIBUHJOAL-LSDHHAIUSA-N 1 2 385.291 3.187 10 0 GGAELO CC(C)Cn1cc[nH+]c1CNC(=O)C1=Cc2cc(Br)ccc2OC1 ZINC000525094063 567227767 /nfs/dbraw/zinc/22/77/67/567227767.db2.gz PRJZDYAIGQQPMI-UHFFFAOYSA-N 1 2 390.281 3.394 10 0 GGAELO O=C(C1CC[NH+](Cc2ncc(Br)cc2Cl)CC1)N1CCCC1 ZINC000659812399 567228625 /nfs/dbraw/zinc/22/86/25/567228625.db2.gz QXYZNABPGHCBHN-UHFFFAOYSA-N 1 2 386.721 3.332 10 0 GGAELO CCn1cc[nH+]c1CNC(=O)Nc1cc(OC)c(Br)c(OC)c1 ZINC000455063121 567228972 /nfs/dbraw/zinc/22/89/72/567228972.db2.gz KMEGTLIWSOLDLK-UHFFFAOYSA-N 1 2 383.246 3.004 10 0 GGAELO FC1(F)C[C@H]1OCC[NH+]1CCN(Cc2ccc(Br)s2)CC1 ZINC000659832640 567231276 /nfs/dbraw/zinc/23/12/76/567231276.db2.gz XDIOPPLTVKNLHF-GFCCVEGCSA-N 1 2 381.286 3.052 10 0 GGAELO NS(=O)(=O)c1cc(C[N@@H+]2CCC[C@H]2c2cccc(Br)c2)co1 ZINC000659846855 567231387 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COC(=O)c1cc(NC(=O)N[C@H]2C[C@@H](C)n3cc[nH+]c32)ccc1Br ZINC000455082490 567232574 /nfs/dbraw/zinc/23/25/74/567232574.db2.gz YDFJBDGNWXTUKK-RNCFNFMXSA-N 1 2 393.241 3.260 10 0 GGAELO Cn1cc(Br)c(CN[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)n1 ZINC000433212506 567233076 /nfs/dbraw/zinc/23/30/76/567233076.db2.gz JGHOOBXQVOHZMP-GOEBONIOSA-N 1 2 383.721 3.371 10 0 GGAELO Cn1cc(Br)c(CN[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)n1 ZINC000433212506 567233080 /nfs/dbraw/zinc/23/30/80/567233080.db2.gz JGHOOBXQVOHZMP-GOEBONIOSA-N 1 2 383.721 3.371 10 0 GGAELO Cn1cc(Br)c(C[NH+]2CCC(N3CCc4cc(F)ccc43)CC2)n1 ZINC000433209331 567233373 /nfs/dbraw/zinc/23/33/73/567233373.db2.gz QZDWUHNAZOGKPB-UHFFFAOYSA-N 1 2 393.304 3.349 10 0 GGAELO Brc1ccccc1[C@@H]1CCC[N@@H+]1Cc1cn(C[C@@H]2CCOC2)nn1 ZINC000638150169 567234407 /nfs/dbraw/zinc/23/44/07/567234407.db2.gz WWESWSNWNDGBII-KSSFIOAISA-N 1 2 391.313 3.414 10 0 GGAELO Brc1ccccc1[C@@H]1CCC[N@H+]1Cc1cn(C[C@@H]2CCOC2)nn1 ZINC000638150169 567234412 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Cc1nc([C@@](C)([NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)C2CC2)no1 ZINC000433298881 567240196 /nfs/dbraw/zinc/24/01/96/567240196.db2.gz ATCQFGJAZFSQMQ-GUYCJALGSA-N 1 2 386.279 3.340 10 0 GGAELO Cc1nc([C@@](C)([NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)C2CC2)no1 ZINC000433297683 567240586 /nfs/dbraw/zinc/24/05/86/567240586.db2.gz WYNKUZILXDGJCW-GUYCJALGSA-N 1 2 386.279 3.340 10 0 GGAELO Cc1nc([C@](C)([NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)C2CC2)no1 ZINC000433297681 567240770 /nfs/dbraw/zinc/24/07/70/567240770.db2.gz WYNKUZILXDGJCW-CXAGYDPISA-N 1 2 386.279 3.340 10 0 GGAELO O=C1CCCCN1C1CC[NH+](Cc2ncc(Br)cc2Cl)CC1 ZINC000660007636 567245945 /nfs/dbraw/zinc/24/59/45/567245945.db2.gz MBMVRQFLTGXQSJ-UHFFFAOYSA-N 1 2 386.721 3.474 10 0 GGAELO Cn1ncc(Br)c1C[NH2+][C@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000567441615 567245965 /nfs/dbraw/zinc/24/59/65/567245965.db2.gz DEAOPBXZPKAKKD-GFCCVEGCSA-N 1 2 378.192 3.025 10 0 GGAELO C[C@H]1CCN(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccc(Br)cc2)C1 ZINC000660012225 567247470 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CO[C@H](C[N@H+]1CCc2[nH]c3ccc(Br)cc3c2C1)[C@@H]1CCOC1 ZINC000660067923 567255963 /nfs/dbraw/zinc/25/59/63/567255963.db2.gz OHUWIGZDALOIQZ-KZULUSFZSA-N 1 2 379.298 3.340 10 0 GGAELO CCn1cc[nH+]c1CNC(=O)N1CCc2c(Br)cc(C)cc2C1 ZINC000455293489 567257922 /nfs/dbraw/zinc/25/79/22/567257922.db2.gz LNQHHWOFQCKSCK-UHFFFAOYSA-N 1 2 377.286 3.242 10 0 GGAELO Cc1cc(S(=O)(=O)N(C)Cc2[nH+]ccn2Cc2ccccc2)c(C)s1 ZINC000525701104 567260104 /nfs/dbraw/zinc/26/01/04/567260104.db2.gz CRBHTXNQRMDZIF-UHFFFAOYSA-N 1 2 375.519 3.430 10 0 GGAELO C[C@@](O)(C[NH+]1CCN(CCc2ccc(Cl)c(Cl)c2)CC1)C(F)(F)F ZINC000499597665 567260286 /nfs/dbraw/zinc/26/02/86/567260286.db2.gz DDWBPIBIPBHVPA-OAHLLOKOSA-N 1 2 385.257 3.467 10 0 GGAELO C[C@@](O)(CN1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1)C(F)(F)F ZINC000499597665 567260292 /nfs/dbraw/zinc/26/02/92/567260292.db2.gz DDWBPIBIPBHVPA-OAHLLOKOSA-N 1 2 385.257 3.467 10 0 GGAELO CCOC(=O)C1(COC)CC[NH+](Cc2ccc(Br)cc2F)CC1 ZINC000475618215 567262227 /nfs/dbraw/zinc/26/22/27/567262227.db2.gz 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Cn1nccc1C1=CC[N@H+](Cc2cc(Br)c3c(c2)OCCO3)CC1 ZINC000685437092 567276307 /nfs/dbraw/zinc/27/63/07/567276307.db2.gz SMCOFLNKCGZPSS-UHFFFAOYSA-N 1 2 390.281 3.243 10 0 GGAELO Cn1nccc1C1=CC[N@@H+](Cc2cc(Br)c3c(c2)OCCO3)CC1 ZINC000685437092 567276308 /nfs/dbraw/zinc/27/63/08/567276308.db2.gz SMCOFLNKCGZPSS-UHFFFAOYSA-N 1 2 390.281 3.243 10 0 GGAELO CCc1nnc([C@@H](C)[NH2+][C@H](C)c2cc3c(cc2Br)OCCO3)[nH]1 ZINC000660189148 567278607 /nfs/dbraw/zinc/27/86/07/567278607.db2.gz XZGUODJJYTWVQM-NXEZZACHSA-N 1 2 381.274 3.313 10 0 GGAELO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@@H+]1CCO[C@@]2(CCSC2)C1 ZINC000567797316 567279093 /nfs/dbraw/zinc/27/90/93/567279093.db2.gz OYHFPRPWFADKOV-KRWDZBQOSA-N 1 2 389.348 3.160 10 0 GGAELO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@H+]1CCO[C@@]2(CCSC2)C1 ZINC000567797316 567279098 /nfs/dbraw/zinc/27/90/98/567279098.db2.gz OYHFPRPWFADKOV-KRWDZBQOSA-N 1 2 389.348 3.160 10 0 GGAELO COc1ncc(Br)cc1C[NH2+][C@@H](c1nnc2ccccn21)C(C)C ZINC000660208459 567280778 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/nfs/dbraw/zinc/57/99/70/567579970.db2.gz DJVBCTNMDGOGSD-BBATYDOGSA-N 1 2 394.265 3.329 10 0 GGAELO C[C@@H]1C[NH+](Cc2ccc(I)cc2Cl)C[C@@H](C)C1O ZINC000595734367 567580714 /nfs/dbraw/zinc/58/07/14/567580714.db2.gz YFDSUVFFXPWIBC-NXEZZACHSA-N 1 2 379.669 3.393 10 0 GGAELO COc1ccc(Br)c(C[NH2+][C@H]2CS(=O)(=O)Cc3ccccc32)c1 ZINC000621354353 567581024 /nfs/dbraw/zinc/58/10/24/567581024.db2.gz HEDNBTIGTXJKFB-KRWDZBQOSA-N 1 2 396.306 3.217 10 0 GGAELO O=S1(=O)Cc2ccccc2[C@H]([NH2+]Cc2ccc(Br)cc2F)C1 ZINC000621357654 567581172 /nfs/dbraw/zinc/58/11/72/567581172.db2.gz VGXZHZSNQQTBSJ-MRXNPFEDSA-N 1 2 384.270 3.348 10 0 GGAELO O=S1(=O)Cc2ccccc2[C@H]([NH2+]Cc2cc(F)ccc2Br)C1 ZINC000621356518 567581626 /nfs/dbraw/zinc/58/16/26/567581626.db2.gz PCFHFMJZYBDRGQ-MRXNPFEDSA-N 1 2 384.270 3.348 10 0 GGAELO Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+]1CC[C@H]2CN(C)C[C@@H]21 ZINC000644840328 567582189 /nfs/dbraw/zinc/58/21/89/567582189.db2.gz KHCQDWGLKRSAPR-KSSFIOAISA-N 1 2 375.314 3.079 10 0 GGAELO Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1CC[C@H]2CN(C)C[C@@H]21 ZINC000644840328 567582196 /nfs/dbraw/zinc/58/21/96/567582196.db2.gz KHCQDWGLKRSAPR-KSSFIOAISA-N 1 2 375.314 3.079 10 0 GGAELO CC[N@H+](Cc1ccccc1Br)[C@H]1CCN(c2cc(C)nn2C)C1=O ZINC000439325084 567582500 /nfs/dbraw/zinc/58/25/00/567582500.db2.gz OULAOGOUGATBJZ-INIZCTEOSA-N 1 2 391.313 3.118 10 0 GGAELO CC[N@@H+](Cc1ccccc1Br)[C@H]1CCN(c2cc(C)nn2C)C1=O ZINC000439325084 567582503 /nfs/dbraw/zinc/58/25/03/567582503.db2.gz OULAOGOUGATBJZ-INIZCTEOSA-N 1 2 391.313 3.118 10 0 GGAELO NC(=O)c1cc(F)ccc1N1CC[NH+](Cc2cscc2Br)CC1 ZINC000621382459 567582651 /nfs/dbraw/zinc/58/26/51/567582651.db2.gz VWGIUCJRMISDDK-UHFFFAOYSA-N 1 2 398.301 3.071 10 0 GGAELO O=C(NC[C@@H]1CC[NH2+]CC1(F)F)[C@H]1C[C@@]12CCc1cc(Br)ccc12 ZINC000571754979 567586361 /nfs/dbraw/zinc/58/63/61/567586361.db2.gz CUWDXVIHHFNJDQ-XGWLTEMNSA-N 1 2 399.279 3.014 10 0 GGAELO CSC[C@H](O)C[N@@H+]1CCc2cc(Br)c(Br)cc2C1 ZINC000595850207 567586571 /nfs/dbraw/zinc/58/65/71/567586571.db2.gz 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ZINC000505712087 567592896 /nfs/dbraw/zinc/59/28/96/567592896.db2.gz FRZDKEFPJZXHSB-VWLOTQADSA-N 1 2 382.310 3.216 10 0 GGAELO COC(=O)c1cnc([C@H]2CCC[N@H+](Cc3cncc(Br)c3)C2)s1 ZINC000595921701 567593556 /nfs/dbraw/zinc/59/35/56/567593556.db2.gz WCZRELACHUMRTR-LBPRGKRZSA-N 1 2 396.310 3.467 10 0 GGAELO COC(=O)c1cnc([C@H]2CCC[N@@H+](Cc3cncc(Br)c3)C2)s1 ZINC000595921701 567593560 /nfs/dbraw/zinc/59/35/60/567593560.db2.gz WCZRELACHUMRTR-LBPRGKRZSA-N 1 2 396.310 3.467 10 0 GGAELO CC1(C)Cc2n[nH]cc2C[N@@H+](Cc2nnc(-c3ccc(Br)o3)o2)C1 ZINC000664870915 567596634 /nfs/dbraw/zinc/59/66/34/567596634.db2.gz GIYQNRCYZSICMW-UHFFFAOYSA-N 1 2 392.257 3.400 10 0 GGAELO CC1(C)Cc2n[nH]cc2C[N@H+](Cc2nnc(-c3ccc(Br)o3)o2)C1 ZINC000664870915 567596640 /nfs/dbraw/zinc/59/66/40/567596640.db2.gz GIYQNRCYZSICMW-UHFFFAOYSA-N 1 2 392.257 3.400 10 0 GGAELO CC1(C)Cc2n[nH]cc2C[N@@H+](CC(=O)Nc2ccc(Br)cc2F)C1 ZINC000664868652 567596785 /nfs/dbraw/zinc/59/67/85/567596785.db2.gz QMHZEGXDFUUFIK-UHFFFAOYSA-N 1 2 395.276 3.334 10 0 GGAELO CC1(C)Cc2n[nH]cc2C[N@H+](CC(=O)Nc2ccc(Br)cc2F)C1 ZINC000664868652 567596790 /nfs/dbraw/zinc/59/67/90/567596790.db2.gz QMHZEGXDFUUFIK-UHFFFAOYSA-N 1 2 395.276 3.334 10 0 GGAELO O=C(Nc1cnc2c(Br)cccn12)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000645010136 567599807 /nfs/dbraw/zinc/59/98/07/567599807.db2.gz RYLOBQXEHSIXFN-LBPRGKRZSA-N 1 2 389.257 3.162 10 0 GGAELO Cc1nc([C@@](C)([NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)C2CC2)no1 ZINC000645024168 567600621 /nfs/dbraw/zinc/60/06/21/567600621.db2.gz JFGALLYXFWAARC-SJCJKPOMSA-N 1 2 386.279 3.340 10 0 GGAELO CN(Cc1ccc(Br)cc1Cl)C(=O)NCCc1cn(C)c[nH+]1 ZINC000459143277 567600637 /nfs/dbraw/zinc/60/06/37/567600637.db2.gz COEAHWINPVBZLN-UHFFFAOYSA-N 1 2 385.693 3.220 10 0 GGAELO C[C@H]1CCN(C(=O)NCCc2cccc(Br)c2)C[C@H]1n1cc[nH+]c1 ZINC000459143264 567600651 /nfs/dbraw/zinc/60/06/51/567600651.db2.gz CJNWFOPGOOTGHZ-WMLDXEAASA-N 1 2 391.313 3.481 10 0 GGAELO CN(Cc1cc(Br)ccc1Cl)C(=O)NCCc1cn(C)c[nH+]1 ZINC000459144811 567600760 /nfs/dbraw/zinc/60/07/60/567600760.db2.gz GPGNWYJTNQQUJR-UHFFFAOYSA-N 1 2 385.693 3.220 10 0 GGAELO Cc1nc([C@](C)([NH2+]C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C2CC2)no1 ZINC000645024169 567601685 /nfs/dbraw/zinc/60/16/85/567601685.db2.gz JFGALLYXFWAARC-SJKOYZFVSA-N 1 2 386.279 3.340 10 0 GGAELO C[C@@H](NC(=O)NCCC(=O)Nc1cc(Cl)cc(Cl)c1)c1[nH+]ccn1C ZINC000664968952 567602927 /nfs/dbraw/zinc/60/29/27/567602927.db2.gz VJGFTGMWFGAXJU-SNVBAGLBSA-N 1 2 384.267 3.116 10 0 GGAELO O=C(NCCc1cccc(Br)c1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000459156029 567603739 /nfs/dbraw/zinc/60/37/39/567603739.db2.gz WHDJQBAZFLYNEF-UHFFFAOYSA-N 1 2 377.286 3.304 10 0 GGAELO O=C(NCCc1cccc(Br)c1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000459156029 567603748 /nfs/dbraw/zinc/60/37/48/567603748.db2.gz WHDJQBAZFLYNEF-UHFFFAOYSA-N 1 2 377.286 3.304 10 0 GGAELO Cc1[nH+]c2ccccc2n1CCC(=O)N[C@H](C)c1ncc(Br)cn1 ZINC000552731344 567605381 /nfs/dbraw/zinc/60/53/81/567605381.db2.gz YWLZSQONGKQUDK-LLVKDONJSA-N 1 2 388.269 3.165 10 0 GGAELO COc1c(Br)cccc1C[NH2+][C@H]1CS(=O)(=O)Cc2ccccc21 ZINC000621735557 567606908 /nfs/dbraw/zinc/60/69/08/567606908.db2.gz MAVYWXSDHZBSNA-INIZCTEOSA-N 1 2 396.306 3.217 10 0 GGAELO COc1cc(Br)ccc1C[NH2+][C@H]1CS(=O)(=O)Cc2ccccc21 ZINC000621735711 567607603 /nfs/dbraw/zinc/60/76/03/567607603.db2.gz PCEYUJMFVBBGOX-INIZCTEOSA-N 1 2 396.306 3.217 10 0 GGAELO CC(C)(C(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1)c1c[nH]c[nH+]1 ZINC000621720916 567607692 /nfs/dbraw/zinc/60/76/92/567607692.db2.gz UWXMSWRPPULOMJ-ZDUSSCGKSA-N 1 2 391.313 3.093 10 0 GGAELO CC(C)(C[NH2+][C@@H](c1ccc(Br)cc1)C(F)F)N1CCOCC1 ZINC000621748805 567608492 /nfs/dbraw/zinc/60/84/92/567608492.db2.gz MNCDOHCHAJAJOP-AWEZNQCLSA-N 1 2 377.273 3.456 10 0 GGAELO Cc1nc(N(C)C)nc(N[C@H](c2cc(F)cc(Br)c2)C2CC2)[nH+]1 ZINC000480505813 567608464 /nfs/dbraw/zinc/60/84/64/567608464.db2.gz KGMBPSLXTVVRMN-AWEZNQCLSA-N 1 2 380.265 3.133 10 0 GGAELO Cc1nc(N[C@H](c2cc(F)cc(Br)c2)C2CC2)nc(N(C)C)[nH+]1 ZINC000480505813 567608471 /nfs/dbraw/zinc/60/84/71/567608471.db2.gz KGMBPSLXTVVRMN-AWEZNQCLSA-N 1 2 380.265 3.133 10 0 GGAELO Cc1nc(N(C)C)nc(N[C@@H](c2cc(F)cc(Br)c2)C2CC2)[nH+]1 ZINC000480505814 567608995 /nfs/dbraw/zinc/60/89/95/567608995.db2.gz KGMBPSLXTVVRMN-CQSZACIVSA-N 1 2 380.265 3.133 10 0 GGAELO Cc1nc(N[C@@H](c2cc(F)cc(Br)c2)C2CC2)nc(N(C)C)[nH+]1 ZINC000480505814 567609003 /nfs/dbraw/zinc/60/90/03/567609003.db2.gz KGMBPSLXTVVRMN-CQSZACIVSA-N 1 2 380.265 3.133 10 0 GGAELO C[N@H+](CC(=O)NC1CC1)Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000506064869 567609650 /nfs/dbraw/zinc/60/96/50/567609650.db2.gz YIDLVGMODLPLEH-UHFFFAOYSA-N 1 2 380.311 3.283 10 0 GGAELO C[N@@H+](CC(=O)NC1CC1)Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000506064869 567609657 /nfs/dbraw/zinc/60/96/57/567609657.db2.gz YIDLVGMODLPLEH-UHFFFAOYSA-N 1 2 380.311 3.283 10 0 GGAELO COC(=O)Cc1cc[nH+]c(N[C@H]2CCN(c3ccc(Br)cc3)C2)c1 ZINC000596111931 567610295 /nfs/dbraw/zinc/61/02/95/567610295.db2.gz DTLSSBWYALSJOZ-HNNXBMFYSA-N 1 2 390.281 3.250 10 0 GGAELO FC(F)[C@H]([NH2+]CCN1C[C@H]2CC[C@@H](C1)O2)c1ccc(Br)cc1 ZINC000621762712 567610566 /nfs/dbraw/zinc/61/05/66/567610566.db2.gz JJQWVYBCGPEOMW-QLFBSQMISA-N 1 2 375.257 3.208 10 0 GGAELO COc1cc(Br)ccc1CNC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000506107433 567610670 /nfs/dbraw/zinc/61/06/70/567610670.db2.gz PCMPDSOFSMPLJC-UHFFFAOYSA-N 1 2 391.256 3.051 10 0 GGAELO FC(F)[C@H]([NH2+]CC1(N2CCOCC2)CC1)c1ccc(Br)cc1 ZINC000621760759 567610791 /nfs/dbraw/zinc/61/07/91/567610791.db2.gz RCKYLSIRBGOFTR-CQSZACIVSA-N 1 2 375.257 3.210 10 0 GGAELO FC(F)[C@@H]([NH2+]CC1(N2CCOCC2)CC1)c1ccc(Br)cc1 ZINC000621760758 567610739 /nfs/dbraw/zinc/61/07/39/567610739.db2.gz RCKYLSIRBGOFTR-AWEZNQCLSA-N 1 2 375.257 3.210 10 0 GGAELO O=C([C@@H]1CCCOCC1)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000552806728 567611129 /nfs/dbraw/zinc/61/11/29/567611129.db2.gz LBZLCHWQCZMTHR-CQSZACIVSA-N 1 2 396.285 3.084 10 0 GGAELO Oc1c(F)cc(-c2noc(Cc3cn4c([nH+]3)CCCC4)n2)cc1Br ZINC000621808775 567612406 /nfs/dbraw/zinc/61/24/06/567612406.db2.gz 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Fc1cncc(Br)c1C[N@@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000667712251 567770473 /nfs/dbraw/zinc/77/04/73/567770473.db2.gz AMXUCJXMONDVRC-NSHDSACASA-N 1 2 380.265 3.358 10 0 GGAELO Fc1cncc(Br)c1C[N@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000667712251 567770474 /nfs/dbraw/zinc/77/04/74/567770474.db2.gz AMXUCJXMONDVRC-NSHDSACASA-N 1 2 380.265 3.358 10 0 GGAELO O=C(NCCCc1nccs1)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000555166969 567772935 /nfs/dbraw/zinc/77/29/35/567772935.db2.gz OMFWCJDLTGPPBN-UHFFFAOYSA-N 1 2 378.929 3.257 10 0 GGAELO C[C@H](C(=O)N1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1)[NH+]1CCSCC1 ZINC000533548449 567773915 /nfs/dbraw/zinc/77/39/15/567773915.db2.gz AVPUISCJQPMAKL-MLGOLLRUSA-N 1 2 378.929 3.317 10 0 GGAELO C[C@@H](C(=O)N1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1)[NH+]1CCSCC1 ZINC000533548448 567774554 /nfs/dbraw/zinc/77/45/54/567774554.db2.gz AVPUISCJQPMAKL-LRDDRELGSA-N 1 2 378.929 3.317 10 0 GGAELO COc1ncc(S(=O)(=O)Nc2cccc3c2C[N@@H+](C(C)C)C3)cc1Cl ZINC000647271322 567776385 /nfs/dbraw/zinc/77/63/85/567776385.db2.gz ZIBSERDUNABBIL-UHFFFAOYSA-N 1 2 381.885 3.268 10 0 GGAELO COc1ncc(S(=O)(=O)Nc2cccc3c2C[N@H+](C(C)C)C3)cc1Cl ZINC000647271322 567776392 /nfs/dbraw/zinc/77/63/92/567776392.db2.gz ZIBSERDUNABBIL-UHFFFAOYSA-N 1 2 381.885 3.268 10 0 GGAELO C[C@@H](CNS(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F)Cn1cc[nH+]c1 ZINC000647277495 567778131 /nfs/dbraw/zinc/77/81/31/567778131.db2.gz LTUUWXDTMATKFN-JTQLQIEISA-N 1 2 397.806 3.050 10 0 GGAELO C[N@@H+]1CC[C@H](NS(=O)(=O)c2ccccc2F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000533640076 567779741 /nfs/dbraw/zinc/77/97/41/567779741.db2.gz JECGIGFIBMUROR-DOTOQJQBSA-N 1 2 386.851 3.342 10 0 GGAELO C[N@H+]1CC[C@H](NS(=O)(=O)c2ccccc2F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000533640076 567779743 /nfs/dbraw/zinc/77/97/43/567779743.db2.gz JECGIGFIBMUROR-DOTOQJQBSA-N 1 2 386.851 3.342 10 0 GGAELO CN(C)c1ncccc1C[NH2+]Cc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000533640093 567779857 /nfs/dbraw/zinc/77/98/57/567779857.db2.gz KBJVGNATOYVTKM-UHFFFAOYSA-N 1 2 377.279 3.325 10 0 GGAELO CC(C)(CNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1)c1cccc(Br)c1 ZINC000667884731 567780372 /nfs/dbraw/zinc/78/03/72/567780372.db2.gz BIRZGRVKKBQAQI-GFCCVEGCSA-N 1 2 376.298 3.371 10 0 GGAELO CC(C)(CNC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1)c1cccc(Br)c1 ZINC000667884731 567780376 /nfs/dbraw/zinc/78/03/76/567780376.db2.gz BIRZGRVKKBQAQI-GFCCVEGCSA-N 1 2 376.298 3.371 10 0 GGAELO CO[C@@H]1CC[C@@H]2OCC[N@H+](CC[S@](=O)c3cc(Cl)ccc3Cl)[C@H]2C1 ZINC000533669819 567780715 /nfs/dbraw/zinc/78/07/15/567780715.db2.gz LXDRIAUJGKBWIH-APVRYJNBSA-N 1 2 392.348 3.369 10 0 GGAELO CO[C@@H]1CC[C@@H]2OCC[N@@H+](CC[S@](=O)c3cc(Cl)ccc3Cl)[C@H]2C1 ZINC000533669819 567780716 /nfs/dbraw/zinc/78/07/16/567780716.db2.gz LXDRIAUJGKBWIH-APVRYJNBSA-N 1 2 392.348 3.369 10 0 GGAELO COCc1nc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cs1 ZINC000533680674 567781642 /nfs/dbraw/zinc/78/16/42/567781642.db2.gz BGCHNQNBPJDDDK-CZUORRHYSA-N 1 2 383.876 3.257 10 0 GGAELO COCc1nc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cs1 ZINC000533680674 567781644 /nfs/dbraw/zinc/78/16/44/567781644.db2.gz BGCHNQNBPJDDDK-CZUORRHYSA-N 1 2 383.876 3.257 10 0 GGAELO Cn1ccnc1[C@@H]1C[C@H](Nc2[nH+]ccc3cc(Br)ccc32)CCO1 ZINC000574542291 567784016 /nfs/dbraw/zinc/78/40/16/567784016.db2.gz KVGSRJWTDFVWCL-ZBFHGGJFSA-N 1 2 387.281 3.485 10 0 GGAELO Cn1ccnc1[C@H]1C[C@@H](Nc2[nH+]ccc3cc(Br)ccc32)CCO1 ZINC000574542289 567784058 /nfs/dbraw/zinc/78/40/58/567784058.db2.gz KVGSRJWTDFVWCL-GOEBONIOSA-N 1 2 387.281 3.485 10 0 GGAELO COC(C)(C)c1nc(C)c(C(=O)NCC[N@@H+]2CCc3sccc3C2)s1 ZINC000574560861 567785392 /nfs/dbraw/zinc/78/53/92/567785392.db2.gz SDDVXVSZICTYMA-UHFFFAOYSA-N 1 2 379.551 3.183 10 0 GGAELO COC(C)(C)c1nc(C)c(C(=O)NCC[N@H+]2CCc3sccc3C2)s1 ZINC000574560861 567785393 /nfs/dbraw/zinc/78/53/93/567785393.db2.gz SDDVXVSZICTYMA-UHFFFAOYSA-N 1 2 379.551 3.183 10 0 GGAELO Cc1cn2c([nH+]1)C[C@@H](C(=O)N[C@@H]1CCOc3ccc(Br)cc31)CC2 ZINC000624548522 567785876 /nfs/dbraw/zinc/78/58/76/567785876.db2.gz RCVHXCZQLGHBRS-SWLSCSKDSA-N 1 2 390.281 3.156 10 0 GGAELO CSCc1cnc(C[NH2+]Cc2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)s1 ZINC000555524390 567787132 /nfs/dbraw/zinc/78/71/32/567787132.db2.gz RANAUMCIFUAYPR-KBPBESRZSA-N 1 2 378.567 3.305 10 0 GGAELO CSCc1cnc(C[NH2+]Cc2ccc(N3C[C@@H](C)O[C@@H](C)C3)nc2)s1 ZINC000555524391 567787264 /nfs/dbraw/zinc/78/72/64/567787264.db2.gz RANAUMCIFUAYPR-OKILXGFUSA-N 1 2 378.567 3.305 10 0 GGAELO COc1cccc(N2C[C@@H]([NH2+][C@@H](C)c3ncc(Br)s3)CC2=O)c1 ZINC000533786627 567787503 /nfs/dbraw/zinc/78/75/03/567787503.db2.gz XGXAKYGLPOGYCZ-QWRGUYRKSA-N 1 2 396.310 3.370 10 0 GGAELO Cc1c(Br)cncc1C[NH+]1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000668012238 567788787 /nfs/dbraw/zinc/78/87/87/567788787.db2.gz WNNFGBIEIREYHR-UHFFFAOYSA-N 1 2 376.302 3.075 10 0 GGAELO CN(CC1CC1)C(=O)C[N@@H+]1CCC[C@H]1c1ccc(I)cc1 ZINC000533835073 567789515 /nfs/dbraw/zinc/78/95/15/567789515.db2.gz OLNSOXUCHLBKMR-INIZCTEOSA-N 1 2 398.288 3.297 10 0 GGAELO CN(CC1CC1)C(=O)C[N@H+]1CCC[C@H]1c1ccc(I)cc1 ZINC000533835073 567789519 /nfs/dbraw/zinc/78/95/19/567789519.db2.gz OLNSOXUCHLBKMR-INIZCTEOSA-N 1 2 398.288 3.297 10 0 GGAELO O=C([C@H]1CCc2[nH+]c[nH]c2C1)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000668027381 567789721 /nfs/dbraw/zinc/78/97/21/567789721.db2.gz HZBQZMOSKGCPNK-YVEFUNNKSA-N 1 2 380.275 3.422 10 0 GGAELO O=C([C@H]1CCc2[nH]c[nH+]c2C1)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000668027381 567789725 /nfs/dbraw/zinc/78/97/25/567789725.db2.gz HZBQZMOSKGCPNK-YVEFUNNKSA-N 1 2 380.275 3.422 10 0 GGAELO Cc1cn2c([nH+]1)C[C@@H](C(=O)N[C@@H](C)Cc1cccc(Br)c1)CC2 ZINC000624628746 567791280 /nfs/dbraw/zinc/79/12/80/567791280.db2.gz NSDCRMSTRMBNHW-WFASDCNBSA-N 1 2 376.298 3.264 10 0 GGAELO Cc1cc(Br)ccc1[C@H]1CCCN1c1nc2c(cnn2C)c(N)[nH+]1 ZINC000624667750 567794105 /nfs/dbraw/zinc/79/41/05/567794105.db2.gz ALIASSHEIWCHRE-CQSZACIVSA-N 1 2 387.285 3.358 10 0 GGAELO Cc1c(Br)cncc1C(=O)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000668054760 567794691 /nfs/dbraw/zinc/79/46/91/567794691.db2.gz FWLWAZDOZVCNRE-UHFFFAOYSA-N 1 2 391.191 3.184 10 0 GGAELO Cn1nc(C(F)(F)F)cc1C[N@H+](CCO)Cc1cc(Br)cs1 ZINC000668060584 567794865 /nfs/dbraw/zinc/79/48/65/567794865.db2.gz NCYDUDLDJCUMNK-UHFFFAOYSA-N 1 2 398.248 3.257 10 0 GGAELO Cn1nc(C(F)(F)F)cc1C[N@@H+](CCO)Cc1cc(Br)cs1 ZINC000668060584 567794866 /nfs/dbraw/zinc/79/48/66/567794866.db2.gz NCYDUDLDJCUMNK-UHFFFAOYSA-N 1 2 398.248 3.257 10 0 GGAELO Cc1csc(NC(=O)CN2CC[NH+]([C@@H](C)c3ccc(Cl)cc3)CC2)n1 ZINC000444171060 567795027 /nfs/dbraw/zinc/79/50/27/567795027.db2.gz OORYWMJGJKHPSV-AWEZNQCLSA-N 1 2 378.929 3.422 10 0 GGAELO CCn1nccc1C[N@H+](CCO)Cc1cc2cc(Br)ccc2o1 ZINC000668094306 567795762 /nfs/dbraw/zinc/79/57/62/567795762.db2.gz HNICNXRVMRHWKR-UHFFFAOYSA-N 1 2 378.270 3.406 10 0 GGAELO CCn1nccc1C[N@@H+](CCO)Cc1cc2cc(Br)ccc2o1 ZINC000668094306 567795763 /nfs/dbraw/zinc/79/57/63/567795763.db2.gz HNICNXRVMRHWKR-UHFFFAOYSA-N 1 2 378.270 3.406 10 0 GGAELO Fc1ccc(Br)cc1CN1CC[NH+](Cc2cnn3c2CCC3)CC1 ZINC000668101641 567795945 /nfs/dbraw/zinc/79/59/45/567795945.db2.gz XJPLBCMLCRVVMO-UHFFFAOYSA-N 1 2 393.304 3.049 10 0 GGAELO Clc1cnc(NC[C@@H]2C[N@H+](Cc3ccncc3)CCO2)c(Br)c1 ZINC000624705033 567796180 /nfs/dbraw/zinc/79/61/80/567796180.db2.gz HRSXMQKFEQAHCL-CQSZACIVSA-N 1 2 397.704 3.205 10 0 GGAELO Clc1cnc(NC[C@@H]2C[N@@H+](Cc3ccncc3)CCO2)c(Br)c1 ZINC000624705033 567796181 /nfs/dbraw/zinc/79/61/81/567796181.db2.gz HRSXMQKFEQAHCL-CQSZACIVSA-N 1 2 397.704 3.205 10 0 GGAELO Clc1cnc(NC[C@H]2C[N@H+](Cc3ccncc3)CCO2)c(Br)c1 ZINC000624705032 567796679 /nfs/dbraw/zinc/79/66/79/567796679.db2.gz HRSXMQKFEQAHCL-AWEZNQCLSA-N 1 2 397.704 3.205 10 0 GGAELO Clc1cnc(NC[C@H]2C[N@@H+](Cc3ccncc3)CCO2)c(Br)c1 ZINC000624705032 567796681 /nfs/dbraw/zinc/79/66/81/567796681.db2.gz HRSXMQKFEQAHCL-AWEZNQCLSA-N 1 2 397.704 3.205 10 0 GGAELO O=C(CCOc1ccc(Cl)c(F)c1)NCc1[nH+]ccn1CC(F)(F)F ZINC000668106718 567796775 /nfs/dbraw/zinc/79/67/75/567796775.db2.gz KDKSRCQAGPSNIK-UHFFFAOYSA-N 1 2 379.741 3.323 10 0 GGAELO Cc1nc([C@H]2CCCOC2)sc1C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000555746846 567797703 /nfs/dbraw/zinc/79/77/03/567797703.db2.gz NRSBSYDZUYMMAU-NSHDSACASA-N 1 2 378.523 3.042 10 0 GGAELO Cc1nc([C@H]2CCCOC2)sc1C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000555746846 567797704 /nfs/dbraw/zinc/79/77/04/567797704.db2.gz NRSBSYDZUYMMAU-NSHDSACASA-N 1 2 378.523 3.042 10 0 GGAELO C[N@@H+]1CCOC[C@H]1CNC(=O)N[C@H](c1cccs1)c1ccc(Cl)cc1 ZINC000624742844 567798082 /nfs/dbraw/zinc/79/80/82/567798082.db2.gz ZTFJROUQHZRENR-WBVHZDCISA-N 1 2 379.913 3.121 10 0 GGAELO C[N@H+]1CCOC[C@H]1CNC(=O)N[C@H](c1cccs1)c1ccc(Cl)cc1 ZINC000624742844 567798086 /nfs/dbraw/zinc/79/80/86/567798086.db2.gz ZTFJROUQHZRENR-WBVHZDCISA-N 1 2 379.913 3.121 10 0 GGAELO C[N@@H+]1CCOC[C@H]1CNC(=O)N[C@@H](c1cccs1)c1ccc(Cl)cc1 ZINC000624742840 567798165 /nfs/dbraw/zinc/79/81/65/567798165.db2.gz ZTFJROUQHZRENR-NVXWUHKLSA-N 1 2 379.913 3.121 10 0 GGAELO C[N@H+]1CCOC[C@H]1CNC(=O)N[C@@H](c1cccs1)c1ccc(Cl)cc1 ZINC000624742840 567798170 /nfs/dbraw/zinc/79/81/70/567798170.db2.gz ZTFJROUQHZRENR-NVXWUHKLSA-N 1 2 379.913 3.121 10 0 GGAELO Cc1nc(S(=O)(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)sc1C ZINC000534082173 567798451 /nfs/dbraw/zinc/79/84/51/567798451.db2.gz PHGXZBRSJIMORB-CABCVRRESA-N 1 2 385.942 3.137 10 0 GGAELO Cc1nc(S(=O)(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)sc1C ZINC000534082173 567798456 /nfs/dbraw/zinc/79/84/56/567798456.db2.gz PHGXZBRSJIMORB-CABCVRRESA-N 1 2 385.942 3.137 10 0 GGAELO c1sc(-c2ccc3c(c2)OCO3)nc1C[N@@H+]1CCO[C@]2(CCSC2)C1 ZINC000574807833 567798657 /nfs/dbraw/zinc/79/86/57/567798657.db2.gz CBWZOJGTNFKEQH-GOSISDBHSA-N 1 2 376.503 3.247 10 0 GGAELO c1sc(-c2ccc3c(c2)OCO3)nc1C[N@H+]1CCO[C@]2(CCSC2)C1 ZINC000574807833 567798658 /nfs/dbraw/zinc/79/86/58/567798658.db2.gz CBWZOJGTNFKEQH-GOSISDBHSA-N 1 2 376.503 3.247 10 0 GGAELO Oc1c(Br)cc(CN2CC[NH+]3CCC2CC3)cc1Br ZINC000668163032 567798898 /nfs/dbraw/zinc/79/88/98/567798898.db2.gz PRILZPRNEPQNOZ-UHFFFAOYSA-N 1 2 390.119 3.197 10 0 GGAELO C[N@@H+]1CC[C@@H](NS(=O)(=O)c2c(F)cccc2F)[C@@H]1c1ccc(Cl)cc1 ZINC000534083687 567799354 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3.026 10 0 GGAELO CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@@H+]2Cc2cnn(-c3ccccc3)n2)C1 ZINC000225417455 570571987 /nfs/dbraw/zinc/57/19/87/570571987.db2.gz HMACAOOYTCMKAT-NRFANRHFSA-N 1 2 383.496 3.243 10 0 GGAELO CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@H+]2Cc2cnn(-c3ccccc3)n2)C1 ZINC000225417455 570571990 /nfs/dbraw/zinc/57/19/90/570571990.db2.gz HMACAOOYTCMKAT-NRFANRHFSA-N 1 2 383.496 3.243 10 0 GGAELO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N(CCc1ccccc1)c1ccccc1 ZINC000225505065 570581007 /nfs/dbraw/zinc/58/10/07/570581007.db2.gz XDPYDNZQDUXIPU-FQEVSTJZSA-N 1 2 380.536 3.081 10 0 GGAELO CCc1cc(N2CCOCC2)nc(SCc2ccc(C(=O)NC3CC3)cc2)[nH+]1 ZINC000006774546 570583600 /nfs/dbraw/zinc/58/36/00/570583600.db2.gz XLDMYVWVPJLGBP-UHFFFAOYSA-N 1 2 398.532 3.060 10 0 GGAELO CCc1[nH+]c(C)nc(N2CCN(C(=O)C3CC3)CC2)c1Cc1ccccc1F ZINC000006776249 570585416 /nfs/dbraw/zinc/58/54/16/570585416.db2.gz QUZVEBZDRYITBO-UHFFFAOYSA-N 1 2 382.483 3.136 10 0 GGAELO CC[C@@H](C)NC(=O)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)c2ccccc2F)CC1 ZINC000036252054 570586315 /nfs/dbraw/zinc/58/63/15/570586315.db2.gz RLQGLDKXXCHZOE-OXQOHEQNSA-N 1 2 389.515 3.057 10 0 GGAELO CCCNC(=O)[C@H](C1CCCC1)[NH+]1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000036253174 570587129 /nfs/dbraw/zinc/58/71/29/570587129.db2.gz DVMXOEVZDAXPQV-IBGZPJMESA-N 1 2 391.943 3.183 10 0 GGAELO CC[C@H](C)CNC(=O)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)CC(C)(C)C)CC1 ZINC000036254316 570587942 /nfs/dbraw/zinc/58/79/42/570587942.db2.gz PJAVHRMWRJLXRH-FXAWDEMLSA-N 1 2 379.589 3.288 10 0 GGAELO Cc1ccccc1C(=O)N1CC[NH+]([C@@H](C(=O)NCCC(C)C)C2CCCC2)CC1 ZINC000036254586 570587973 /nfs/dbraw/zinc/58/79/73/570587973.db2.gz MSDPAPROJQHANJ-JOCHJYFZSA-N 1 2 399.579 3.474 10 0 GGAELO CC[C@H](C)CNC(=O)[C@H](C1CCCC1)[NH+]1CCN(C(=O)c2ccccc2)CC1 ZINC000036254291 570588120 /nfs/dbraw/zinc/58/81/20/570588120.db2.gz SLIUDZNKLSXYLH-RXVVDRJESA-N 1 2 385.552 3.166 10 0 GGAELO CC[C@H](C)CNC(=O)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)c2ccccc2C)CC1 ZINC000036254403 570588149 /nfs/dbraw/zinc/58/81/49/570588149.db2.gz 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COc1cccc(CNc2cc(N3CCC[C@H]3CO)nc[nH+]2)c1OC1CCCC1 ZINC000113248219 1412282822 /nfs/dbraw/zinc/28/28/22/1412282822.db2.gz SEZYBCARYZDRBK-KRWDZBQOSA-N 1 2 398.507 3.380 10 0 GGAELO COc1cccc(CNc2cc(N3CCC[C@H]3CO)[nH+]cn2)c1OC1CCCC1 ZINC000113248219 1412282833 /nfs/dbraw/zinc/28/28/33/1412282833.db2.gz SEZYBCARYZDRBK-KRWDZBQOSA-N 1 2 398.507 3.380 10 0 GGAELO COc1cccc(CNc2cc(N3CCC[C@@H]3CO)nc[nH+]2)c1OC1CCCC1 ZINC000113248215 1412283130 /nfs/dbraw/zinc/28/31/30/1412283130.db2.gz SEZYBCARYZDRBK-QGZVFWFLSA-N 1 2 398.507 3.380 10 0 GGAELO COc1cccc(CNc2cc(N3CCC[C@@H]3CO)[nH+]cn2)c1OC1CCCC1 ZINC000113248215 1412283138 /nfs/dbraw/zinc/28/31/38/1412283138.db2.gz SEZYBCARYZDRBK-QGZVFWFLSA-N 1 2 398.507 3.380 10 0 GGAELO COc1ccccc1C[NH+]1CCN(C(=O)C[C@H]2CCOc3ccccc32)CC1 ZINC000117785940 1413078331 /nfs/dbraw/zinc/07/83/31/1413078331.db2.gz DJCGMGXTCWNYJY-GOSISDBHSA-N 1 2 380.488 3.296 10 0 GGAELO CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000119882630 1413604042 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IDAVLXYOHDSVNH-DOMZBBRYSA-N 1 2 376.844 3.423 10 0 GGAELO COc1ccc(-c2nc(C[NH+]3CCC(OC[C@@H]4CCCCO4)CC3)no2)cc1 ZINC000177615896 1428811608 /nfs/dbraw/zinc/81/16/08/1428811608.db2.gz IFKPFGCNCCGSHY-IBGZPJMESA-N 1 2 387.480 3.295 10 0 GGAELO C[C@@H]1CCN(C(=O)CNC(=O)CC23CC4CC(CC(C4)C2)C3)C[C@@H]1n1cc[nH+]c1 ZINC000123120396 1414646957 /nfs/dbraw/zinc/64/69/57/1414646957.db2.gz FBHIPXYJXNLAIC-CGVQKBNFSA-N 1 2 398.551 3.015 10 0 GGAELO CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000123277351 1414685585 /nfs/dbraw/zinc/68/55/85/1414685585.db2.gz GCOGRAXXLMINNF-RLLQIKCJSA-N 1 2 398.507 3.244 10 0 GGAELO CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000123277554 1414685712 /nfs/dbraw/zinc/68/57/12/1414685712.db2.gz GCOGRAXXLMINNF-SXLOBPIMSA-N 1 2 398.507 3.244 10 0 GGAELO C[C@H]1CCN(C(=O)CCNC(=O)c2ccc(C(C)(C)C)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000123915843 1414848871 /nfs/dbraw/zinc/84/88/71/1414848871.db2.gz AMFDINMXUGWJSS-PXNSSMCTSA-N 1 2 396.535 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C[C@H]1CCN(C(=O)CCC(=O)CCC(=O)c2cccs2)C[C@@H]1n1cc[nH+]c1 ZINC000125619582 1415239443 /nfs/dbraw/zinc/23/94/43/1415239443.db2.gz DEKPPQQJIUDSNF-RDJZCZTQSA-N 1 2 387.505 3.367 10 0 GGAELO CCCc1nc(C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)nn1-c1ccccc1F ZINC000125711749 1415259606 /nfs/dbraw/zinc/25/96/06/1415259606.db2.gz HSGIFAXESYKOBG-CRAIPNDOSA-N 1 2 396.470 3.279 10 0 GGAELO COc1cc(C(C)=O)ccc1OCCCC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000125735967 1415265765 /nfs/dbraw/zinc/26/57/65/1415265765.db2.gz HPHKVAONXPKVST-LPHOPBHVSA-N 1 2 399.491 3.363 10 0 GGAELO O=C(NCc1ccn2cc[nH+]c2c1)N[C@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000177954270 1428899324 /nfs/dbraw/zinc/89/93/24/1428899324.db2.gz FGSXVGHKHJNMHK-INIZCTEOSA-N 1 2 399.445 3.076 10 0 GGAELO C[C@H]1CCN(C(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)C[C@@H]1n1cc[nH+]c1 ZINC000126392097 1415435685 /nfs/dbraw/zinc/43/56/85/1415435685.db2.gz HFXVMVCGLBILPD-NSHGMRRFSA-N 1 2 395.507 3.237 10 0 GGAELO C[C@H]1CCN(C(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)C[C@H]1n1cc[nH+]c1 ZINC000126392497 1415436517 /nfs/dbraw/zinc/43/65/17/1415436517.db2.gz HFXVMVCGLBILPD-NLWGTHIKSA-N 1 2 395.507 3.237 10 0 GGAELO C[C@H]1CCN(C(=O)CCCOc2ccc3c(c2)CCC(=O)N3)C[C@H]1n1cc[nH+]c1 ZINC000126396258 1415437086 /nfs/dbraw/zinc/43/70/86/1415437086.db2.gz HIJKZAVRENPSGO-OXJNMPFZSA-N 1 2 396.491 3.037 10 0 GGAELO C[C@H]1CN(c2ccccc2NC(=O)NCc2ccn3cc[nH+]c3c2)C[C@H](C)O1 ZINC000178180896 1429009906 /nfs/dbraw/zinc/00/99/06/1429009906.db2.gz BFEYGDOWNSSNMD-HOTGVXAUSA-N 1 2 379.464 3.270 10 0 GGAELO C[C@H]1CCN(C(=O)Nc2cccc(-c3nnc4n3CCC4)c2)C[C@@H]1n1cc[nH+]c1 ZINC000127867083 1415866328 /nfs/dbraw/zinc/86/63/28/1415866328.db2.gz BCQLUCCWLGQVGQ-YJBOKZPZSA-N 1 2 391.479 3.203 10 0 GGAELO O=C(Nc1cccc(N2CCCCC2=O)c1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000128247959 1415947402 /nfs/dbraw/zinc/94/74/02/1415947402.db2.gz GOHZCZGVXSAFEI-LJQANCHMSA-N 1 2 380.448 3.284 10 0 GGAELO C[C@@H]1CCN(C(=O)[C@@H]2CCCN2C(=O)OCc2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000128481921 1415997570 /nfs/dbraw/zinc/99/75/70/1415997570.db2.gz GHHKACCVYHOIMF-HOJAQTOUSA-N 1 2 396.491 3.094 10 0 GGAELO CCc1nc(NC(=O)C[N@H+](Cc2ccc(O)c(OC)c2)C2CC2)sc1C ZINC000128552783 1416011621 /nfs/dbraw/zinc/01/16/21/1416011621.db2.gz HWNBAEILRGBJCZ-UHFFFAOYSA-N 1 2 375.494 3.331 10 0 GGAELO CCc1nc(NC(=O)C[N@@H+](Cc2ccc(O)c(OC)c2)C2CC2)sc1C ZINC000128552783 1416011626 /nfs/dbraw/zinc/01/16/26/1416011626.db2.gz HWNBAEILRGBJCZ-UHFFFAOYSA-N 1 2 375.494 3.331 10 0 GGAELO CNC(=O)c1ccc(Cl)c(NC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000128576503 1416016819 /nfs/dbraw/zinc/01/68/19/1416016819.db2.gz GKFRWCSSTBOKDW-MLGOLLRUSA-N 1 2 375.860 3.011 10 0 GGAELO C[C@@H]1CCN(C(=O)Nc2ccc(CN3CCCC3=O)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000128597192 1416021121 /nfs/dbraw/zinc/02/11/21/1416021121.db2.gz CZWYUQHISJYSKJ-APWZRJJASA-N 1 2 381.480 3.121 10 0 GGAELO CC[C@@H](C)Oc1cc(C)ccc1CNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000128889892 1416094084 /nfs/dbraw/zinc/09/40/84/1416094084.db2.gz BVQOLZNSMIESGP-UYAOXDASSA-N 1 2 389.540 3.179 10 0 GGAELO CC(C)[C@@H]([NH2+]Cc1cc(Br)ccc1F)c1nc(-c2nc[nH]n2)no1 ZINC000129092671 1416143222 /nfs/dbraw/zinc/14/32/22/1416143222.db2.gz CWBOGZMULURBIP-GFCCVEGCSA-N 1 2 395.236 3.243 10 0 GGAELO CC(=O)N1CCCc2cc(NC(=O)N3CC[C@@H](C)[C@H](n4cc[nH+]c4)C3)ccc21 ZINC000129476911 1416216027 /nfs/dbraw/zinc/21/60/27/1416216027.db2.gz CQDPPGAYYHGKQP-FOIQADDNSA-N 1 2 381.480 3.297 10 0 GGAELO CC(=O)N1CCCc2cc(NC(=O)N3CC[C@@H](C)[C@@H](n4cc[nH+]c4)C3)ccc21 ZINC000129476438 1416216114 /nfs/dbraw/zinc/21/61/14/1416216114.db2.gz CQDPPGAYYHGKQP-QRWLVFNGSA-N 1 2 381.480 3.297 10 0 GGAELO O=C(NCCCCNc1cccc[nH+]1)C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000129658165 1416244501 /nfs/dbraw/zinc/24/45/01/1416244501.db2.gz HLSVJFFBMCABDZ-UHFFFAOYSA-N 1 2 395.507 3.019 10 0 GGAELO Cc1c(NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cccc1N1CCOC1=O ZINC000131184639 1416520997 /nfs/dbraw/zinc/52/09/97/1416520997.db2.gz DDEZHOPOTSTQOE-KBXCAEBGSA-N 1 2 383.452 3.263 10 0 GGAELO Cc1ccc(NC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1N1CCOC1=O ZINC000131307140 1416537793 /nfs/dbraw/zinc/53/77/93/1416537793.db2.gz GMFYBJKVUUNURX-QAPCUYQASA-N 1 2 383.452 3.263 10 0 GGAELO CCOc1ccc(C(=O)N(C)C)cc1NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000131411428 1416553704 /nfs/dbraw/zinc/55/37/04/1416553704.db2.gz FJVKOFLRGZDNTH-CRAIPNDOSA-N 1 2 399.495 3.099 10 0 GGAELO C[NH+]1CCN(C(=O)c2ccc(Br)cc2NC(=O)OC(C)(C)C)CC1 ZINC000133125921 1416854731 /nfs/dbraw/zinc/85/47/31/1416854731.db2.gz VPWKITPODAGFRH-UHFFFAOYSA-N 1 2 398.301 3.184 10 0 GGAELO C[C@@H]1CCN(c2cnn(Cc3ccccc3)c(=O)c2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000134149093 1417029771 /nfs/dbraw/zinc/02/97/71/1417029771.db2.gz BDJHUUJBRBFZQU-QAPCUYQASA-N 1 2 383.883 3.229 10 0 GGAELO CN1CCN(c2ncc(C[NH2+][C@H](c3ccc(F)cc3F)C(C)(C)C)cn2)CC1 ZINC000134410908 1417066518 /nfs/dbraw/zinc/06/65/18/1417066518.db2.gz FBCVABATMAOLEQ-LJQANCHMSA-N 1 2 389.494 3.384 10 0 GGAELO O=C(CCn1ccc2cc(Cl)ccc21)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000136227579 1417302872 /nfs/dbraw/zinc/30/28/72/1417302872.db2.gz IEEWYOKJZVKSOR-GOSISDBHSA-N 1 2 375.900 3.008 10 0 GGAELO Cc1ccccc1CNC(=O)C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000137195212 1417374578 /nfs/dbraw/zinc/37/45/78/1417374578.db2.gz BJDSEHRAAOFYAU-UHFFFAOYSA-N 1 2 391.437 3.452 10 0 GGAELO CCOc1ccc(C(=O)N2CC[NH+](Cc3cccc(OC)c3)CC2)cc1OCC ZINC000138677962 1417433848 /nfs/dbraw/zinc/43/38/48/1417433848.db2.gz HHBGITAZJDCZLS-UHFFFAOYSA-N 1 2 398.503 3.451 10 0 GGAELO Cc1ccn(-c2ccccc2NC(=O)NC2CCN(c3cccc[nH+]3)CC2)n1 ZINC000151125173 1417877032 /nfs/dbraw/zinc/87/70/32/1417877032.db2.gz AFVCXHCGYAKURU-UHFFFAOYSA-N 1 2 376.464 3.366 10 0 GGAELO C[C@@H]1CCN(S(=O)(=O)c2ccc(F)cc2C(F)(F)F)C[C@@H]1n1cc[nH+]c1 ZINC000151257613 1417906554 /nfs/dbraw/zinc/90/65/54/1417906554.db2.gz ATZMAJYMKAVJOG-RISCZKNCSA-N 1 2 391.390 3.313 10 0 GGAELO CSc1ccc(NC(=O)C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1Cl ZINC000151421655 1417959984 /nfs/dbraw/zinc/95/99/84/1417959984.db2.gz DYFIYNKIFLZNNT-DOMZBBRYSA-N 1 2 392.912 3.307 10 0 GGAELO CCSCc1cccc(NC(=O)C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000151438170 1417969723 /nfs/dbraw/zinc/96/97/23/1417969723.db2.gz COSSHQXLMADEAR-QAPCUYQASA-N 1 2 386.521 3.184 10 0 GGAELO O=C(NCc1ccc(COCc2ccccc2)cc1)[C@H]1CCn2c[nH+]cc2C1 ZINC000151446653 1417974848 /nfs/dbraw/zinc/97/48/48/1417974848.db2.gz FVYQHGQMKLHWOM-NRFANRHFSA-N 1 2 375.472 3.479 10 0 GGAELO Cc1cc(NC(=O)C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)ccc1C(F)(F)F ZINC000151483563 1417996664 /nfs/dbraw/zinc/99/66/64/1417996664.db2.gz DQNHWHVOTPAWHJ-WBMJQRKESA-N 1 2 394.397 3.259 10 0 GGAELO Cc1cc(NC(=O)C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)ccc1C(F)(F)F ZINC000151483421 1417996752 /nfs/dbraw/zinc/99/67/52/1417996752.db2.gz DQNHWHVOTPAWHJ-MLGOLLRUSA-N 1 2 394.397 3.259 10 0 GGAELO C[C@H]1CCN(C(=O)C(=O)Nc2ccccc2OC(C)(C)C)C[C@@H]1n1cc[nH+]c1 ZINC000151486532 1417998202 /nfs/dbraw/zinc/99/82/02/1417998202.db2.gz CIHPRFMGTLVXBO-RDJZCZTQSA-N 1 2 384.480 3.109 10 0 GGAELO C[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2OC(C)(C)C)C[C@@H]1n1cc[nH+]c1 ZINC000151486463 1417998361 /nfs/dbraw/zinc/99/83/61/1417998361.db2.gz CIHPRFMGTLVXBO-WBVHZDCISA-N 1 2 384.480 3.109 10 0 GGAELO Cc1nc2ccccc2n1CCCNC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000151727974 1418073030 /nfs/dbraw/zinc/07/30/30/1418073030.db2.gz GBZTWCHDTPTGSU-OXJNMPFZSA-N 1 2 380.496 3.224 10 0 GGAELO C[C@@H]1CCN(C(=O)NCc2ccnc(OCC(F)(F)F)c2)C[C@@H]1n1cc[nH+]c1 ZINC000152094255 1418143354 /nfs/dbraw/zinc/14/33/54/1418143354.db2.gz DTTSLURNRHSCCB-HIFRSBDPSA-N 1 2 397.401 3.012 10 0 GGAELO Cc1ccc2ncc(C[NH+]3CCN(c4ccc(C(F)(F)F)cn4)CC3)n2c1 ZINC000179656054 1429493284 /nfs/dbraw/zinc/49/32/84/1429493284.db2.gz HXZCENNDALIQHV-UHFFFAOYSA-N 1 2 375.398 3.379 10 0 GGAELO Cc1ccc2[nH+]cc(CN3CCN(c4ccc(C(F)(F)F)cn4)CC3)n2c1 ZINC000179656054 1429493287 /nfs/dbraw/zinc/49/32/87/1429493287.db2.gz HXZCENNDALIQHV-UHFFFAOYSA-N 1 2 375.398 3.379 10 0 GGAELO C[C@@H]1CCN(C(=O)NCCNc2ncc(Cl)cc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000152312016 1422069723 /nfs/dbraw/zinc/06/97/23/1422069723.db2.gz FXXLFGVOVGMEPG-IUODEOHRSA-N 1 2 397.310 3.290 10 0 GGAELO Cc1nn(C)c(N2CCOCC2)c1C[NH2+][C@H](c1cccc(C)c1)c1ccccn1 ZINC000153535736 1422593048 /nfs/dbraw/zinc/59/30/48/1422593048.db2.gz IFVMSJMGXBLGLY-JOCHJYFZSA-N 1 2 391.519 3.148 10 0 GGAELO Cc1csc(-c2ccc(NC(=O)N3CCC[C@@H]3C[NH+]3CCOCC3)cc2)n1 ZINC000153634438 1422663372 /nfs/dbraw/zinc/66/33/72/1422663372.db2.gz DGHYMMHOAHDVEE-GOSISDBHSA-N 1 2 386.521 3.447 10 0 GGAELO Cc1nn(C)c(Cl)c1S(=O)(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000153842933 1422793527 /nfs/dbraw/zinc/79/35/27/1422793527.db2.gz JOWZEXZXKWGYIG-UHFFFAOYSA-N 1 2 382.917 3.169 10 0 GGAELO C[C@H]1CCN(C(=O)NCCc2nc(C(F)(F)F)cs2)C[C@@H]1n1cc[nH+]c1 ZINC000154142269 1422846265 /nfs/dbraw/zinc/84/62/65/1422846265.db2.gz AAHXCZCPPOGMQK-RYUDHWBXSA-N 1 2 387.431 3.194 10 0 GGAELO C[C@H](NC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1cccc(-n2cccn2)c1 ZINC000154175516 1422850772 /nfs/dbraw/zinc/85/07/72/1422850772.db2.gz BNMZBAAGFIECSG-ABSDTBQOSA-N 1 2 378.480 3.423 10 0 GGAELO C[C@H](NC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)c1nc(Cc2ccccc2)no1 ZINC000154353002 1422876932 /nfs/dbraw/zinc/87/69/32/1422876932.db2.gz AKJZURUMLSPLEX-BQFCYCMXSA-N 1 2 394.479 3.211 10 0 GGAELO C[C@H](NC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)c1nc(Cc2ccccc2)no1 ZINC000154352877 1422877058 /nfs/dbraw/zinc/87/70/58/1422877058.db2.gz AKJZURUMLSPLEX-RYRKJORJSA-N 1 2 394.479 3.211 10 0 GGAELO O=C(Nc1ccccc1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccccc1 ZINC000154576157 1422940348 /nfs/dbraw/zinc/94/03/48/1422940348.db2.gz HBLOITSBNYRDPM-GOSISDBHSA-N 1 2 386.455 3.343 10 0 GGAELO C[C@H](CC(=O)N1C[C@H]2OCC[N@H+](Cc3ccccc3)[C@H]2C1)c1ccccc1F ZINC000155185743 1423225310 /nfs/dbraw/zinc/22/53/10/1423225310.db2.gz HVADNRQDQRYDHQ-VOQZNFBZSA-N 1 2 382.479 3.431 10 0 GGAELO C[C@H](CC(=O)N1C[C@H]2OCC[N@@H+](Cc3ccccc3)[C@H]2C1)c1ccccc1F ZINC000155185743 1423225333 /nfs/dbraw/zinc/22/53/33/1423225333.db2.gz HVADNRQDQRYDHQ-VOQZNFBZSA-N 1 2 382.479 3.431 10 0 GGAELO COc1ccccc1[C@H](C)CC(=O)N1C[C@H]2OCC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC000155187157 1423226783 /nfs/dbraw/zinc/22/67/83/1423226783.db2.gz FXTNGAFGGLFBQB-RZFNWQHOSA-N 1 2 394.515 3.301 10 0 GGAELO COc1ccccc1[C@H](C)CC(=O)N1C[C@H]2OCC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC000155187157 1423226789 /nfs/dbraw/zinc/22/67/89/1423226789.db2.gz FXTNGAFGGLFBQB-RZFNWQHOSA-N 1 2 394.515 3.301 10 0 GGAELO C[C@@H](NC(=O)[C@@H](C)[N@@H+]1CCCN(CC(F)(F)F)CC1)c1ccc(Cl)cc1 ZINC000155897139 1423583122 /nfs/dbraw/zinc/58/31/22/1423583122.db2.gz CVPPMVXKKWTJGF-ZIAGYGMSSA-N 1 2 391.865 3.476 10 0 GGAELO C[C@@H](NC(=O)[C@@H](C)[N@H+]1CCCN(CC(F)(F)F)CC1)c1ccc(Cl)cc1 ZINC000155897139 1423583130 /nfs/dbraw/zinc/58/31/30/1423583130.db2.gz CVPPMVXKKWTJGF-ZIAGYGMSSA-N 1 2 391.865 3.476 10 0 GGAELO C[C@@H](NC(=O)[C@H](C)[N@H+](CCO)Cc1cccnc1)c1cccc2ccccc21 ZINC000157033653 1423908004 /nfs/dbraw/zinc/90/80/04/1423908004.db2.gz ALNLGDNAYQPAIJ-MSOLQXFVSA-N 1 2 377.488 3.295 10 0 GGAELO C[C@@H](NC(=O)[C@H](C)[N@@H+](CCO)Cc1cccnc1)c1cccc2ccccc21 ZINC000157033653 1423908005 /nfs/dbraw/zinc/90/80/05/1423908005.db2.gz ALNLGDNAYQPAIJ-MSOLQXFVSA-N 1 2 377.488 3.295 10 0 GGAELO Cc1ccc(NC(=O)C(=O)N(C)[C@H](C)Cc2ccc(Cl)cc2)c(N(C)C)[nH+]1 ZINC000157082340 1423920786 /nfs/dbraw/zinc/92/07/86/1423920786.db2.gz IEWWIWBWAIYQDV-CQSZACIVSA-N 1 2 388.899 3.138 10 0 GGAELO COc1cccc(-c2nc(C)c(C(=O)N3CC[NH+](Cc4ccccc4)CC3)[nH]2)c1 ZINC000157283095 1423973543 /nfs/dbraw/zinc/97/35/43/1423973543.db2.gz CYYYTUCNONAWST-UHFFFAOYSA-N 1 2 390.487 3.352 10 0 GGAELO Cc1c(NC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cnn1-c1ccccc1F ZINC000157508344 1424026762 /nfs/dbraw/zinc/02/67/62/1424026762.db2.gz DMSKXNUSCYMFDL-MRXNPFEDSA-N 1 2 381.411 3.400 10 0 GGAELO CCOc1cc(C[NH2+][C@@H](CC(C)C)c2nc(-c3nc[nH]n3)no2)ccc1OC ZINC000157916162 1424119261 /nfs/dbraw/zinc/11/92/61/1424119261.db2.gz GUWXIXOZPNUZGP-AWEZNQCLSA-N 1 2 386.456 3.139 10 0 GGAELO Cc1nn(C)c(OCC(F)(F)F)c1C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000158446280 1424257713 /nfs/dbraw/zinc/25/77/13/1424257713.db2.gz HIHYARKHSOAFQT-UHFFFAOYSA-N 1 2 386.393 3.131 10 0 GGAELO O=C(Nc1ccccc1OCCn1cc[nH+]c1)N1CCO[C@@H](c2nccs2)C1 ZINC000159246394 1424457336 /nfs/dbraw/zinc/45/73/36/1424457336.db2.gz YVGGNYCTCIOGGT-QGZVFWFLSA-N 1 2 399.476 3.024 10 0 GGAELO COc1ccc2c(c1)c(C(=O)NC[C@@H]1C[N@H+](C)CCO1)c(C)n2C1CCCC1 ZINC000162387206 1424845075 /nfs/dbraw/zinc/84/50/75/1424845075.db2.gz RVUAXCPXHOZGLF-GOSISDBHSA-N 1 2 385.508 3.134 10 0 GGAELO COc1ccc2c(c1)c(C(=O)NC[C@@H]1C[N@@H+](C)CCO1)c(C)n2C1CCCC1 ZINC000162387206 1424845077 /nfs/dbraw/zinc/84/50/77/1424845077.db2.gz RVUAXCPXHOZGLF-GOSISDBHSA-N 1 2 385.508 3.134 10 0 GGAELO C[C@@H]1CCN(C(=O)Nc2ccc(-c3nnc(N(C)C)o3)cc2)C[C@H]1n1cc[nH+]c1 ZINC000162524331 1424861850 /nfs/dbraw/zinc/86/18/50/1424861850.db2.gz IFQNQDBBDTZGGK-RHSMWYFYSA-N 1 2 395.467 3.114 10 0 GGAELO COCCC(=O)N1CCC2(CC1)c1nccn1-c1ccccc1C[N@H+]2CC(C)C ZINC000169763828 1425250071 /nfs/dbraw/zinc/25/00/71/1425250071.db2.gz ZZPPBHWNUWCULF-UHFFFAOYSA-N 1 2 396.535 3.198 10 0 GGAELO COCCC(=O)N1CCC2(CC1)c1nccn1-c1ccccc1C[N@@H+]2CC(C)C ZINC000169763828 1425250076 /nfs/dbraw/zinc/25/00/76/1425250076.db2.gz ZZPPBHWNUWCULF-UHFFFAOYSA-N 1 2 396.535 3.198 10 0 GGAELO Cc1ccccc1C1CCN(C(=O)C2CC[NH+](Cc3nccn3C)CC2)CC1 ZINC000170955556 1425415017 /nfs/dbraw/zinc/41/50/17/1425415017.db2.gz VKJGOFVADTTWBV-UHFFFAOYSA-N 1 2 380.536 3.347 10 0 GGAELO O=C(C1CC[NH+](Cc2ccc(Br)cn2)CC1)N1CCCCCC1 ZINC000171971645 1425865515 /nfs/dbraw/zinc/86/55/15/1425865515.db2.gz GPXIXOSDEKZTMH-UHFFFAOYSA-N 1 2 380.330 3.459 10 0 GGAELO CC(C)(C)OC(=O)NCc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000173012672 1426307893 /nfs/dbraw/zinc/30/78/93/1426307893.db2.gz FZTIQCWLQSHXSX-UHFFFAOYSA-N 1 2 399.491 3.262 10 0 GGAELO Cc1cnc(CCNC(=O)N[C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)s1 ZINC000173623858 1426801529 /nfs/dbraw/zinc/80/15/29/1426801529.db2.gz WVAFTLSDVXVKFK-AWEZNQCLSA-N 1 2 394.491 3.236 10 0 GGAELO Cc1cnc(CCNC(=O)N[C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)s1 ZINC000173623858 1426801530 /nfs/dbraw/zinc/80/15/30/1426801530.db2.gz WVAFTLSDVXVKFK-AWEZNQCLSA-N 1 2 394.491 3.236 10 0 GGAELO Cc1nc(SCCC(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)n[nH]1 ZINC000173974892 1426920234 /nfs/dbraw/zinc/92/02/34/1426920234.db2.gz HUQQSYDRSIXQJJ-UHFFFAOYSA-N 1 2 382.493 3.434 10 0 GGAELO O[C@H](C[NH2+]C1(c2noc(C3CC3)n2)CCCC1)COc1ccc(Cl)cc1 ZINC000174248623 1427069231 /nfs/dbraw/zinc/06/92/31/1427069231.db2.gz INBMIDCAPFCPJK-OAHLLOKOSA-N 1 2 377.872 3.399 10 0 GGAELO O=C(CCCCc1nc2ccccc2s1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000174470776 1427171001 /nfs/dbraw/zinc/17/10/01/1427171001.db2.gz AWQFGZXALBHGLT-QGZVFWFLSA-N 1 2 387.549 3.332 10 0 GGAELO O=C(c1cc2ccc(OC(F)(F)F)cc2[nH]1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000174471740 1427171687 /nfs/dbraw/zinc/17/16/87/1427171687.db2.gz GJQZUWPAVQTLKF-CQSZACIVSA-N 1 2 397.397 3.003 10 0 GGAELO C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000174495265 1427181818 /nfs/dbraw/zinc/18/18/18/1427181818.db2.gz FNKAIAMRCOWFAH-MAUKXSAKSA-N 1 2 384.442 3.207 10 0 GGAELO O[C@H](COCc1ccco1)C[N@@H+]1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000175449021 1427760319 /nfs/dbraw/zinc/76/03/19/1427760319.db2.gz DLIQAKITVFSABB-WMZOPIPTSA-N 1 2 385.382 3.249 10 0 GGAELO O[C@H](COCc1ccco1)C[N@H+]1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000175449021 1427760321 /nfs/dbraw/zinc/76/03/21/1427760321.db2.gz DLIQAKITVFSABB-WMZOPIPTSA-N 1 2 385.382 3.249 10 0 GGAELO O=C(N[C@H](c1nccs1)C1CC1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000175918836 1427971904 /nfs/dbraw/zinc/97/19/04/1427971904.db2.gz CMEDEZOQAZVBGX-SFHVURJKSA-N 1 2 386.521 3.000 10 0 GGAELO C[C@@H](NC(=O)[C@@H](C)[N@@H+]1CCCN(CC(F)F)CC1)c1cc2ccccc2o1 ZINC000180563776 1429898681 /nfs/dbraw/zinc/89/86/81/1429898681.db2.gz DUDPZCRRXIEVAL-HUUCEWRRSA-N 1 2 379.451 3.271 10 0 GGAELO C[C@@H](NC(=O)[C@@H](C)[N@H+]1CCCN(CC(F)F)CC1)c1cc2ccccc2o1 ZINC000180563776 1429898682 /nfs/dbraw/zinc/89/86/82/1429898682.db2.gz DUDPZCRRXIEVAL-HUUCEWRRSA-N 1 2 379.451 3.271 10 0 GGAELO O=C1OCCN1c1ccc(CNc2[nH+]cnc3c2cnn3-c2ccccc2)cc1 ZINC000180926720 1430118937 /nfs/dbraw/zinc/11/89/37/1430118937.db2.gz HLZBVXVRECCKTP-UHFFFAOYSA-N 1 2 386.415 3.384 10 0 GGAELO Cc1ccc(NC(=O)c2nnc(CN3CC[C@@H](C)[C@H](n4cc[nH+]c4)C3)s2)cc1 ZINC000182649356 1430510045 /nfs/dbraw/zinc/51/00/45/1430510045.db2.gz AUYWTHHOTLMYOJ-NVXWUHKLSA-N 1 2 396.520 3.378 10 0 GGAELO CCc1ccc([C@@H](COC)[NH2+][C@@H](C)C(=O)Nc2cc(C(=O)OC)ccc2C)o1 ZINC000184776885 1430974557 /nfs/dbraw/zinc/97/45/57/1430974557.db2.gz BSNOTAOJKZNZLF-KBXCAEBGSA-N 1 2 388.464 3.241 10 0 GGAELO C[C@H]1CCN(C(=O)N[C@H](c2cnn(C)c2)c2ccc(F)cc2)C[C@H]1n1cc[nH+]c1 ZINC000185976033 1431303171 /nfs/dbraw/zinc/30/31/71/1431303171.db2.gz BKWYYLAATKWRNS-BEVDRBHNSA-N 1 2 396.470 3.138 10 0 GGAELO CCc1c(C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cnn1-c1ccc(OC)cc1 ZINC000186096634 1431329552 /nfs/dbraw/zinc/32/95/52/1431329552.db2.gz HJUCKUYNRCNPSW-KKSFZXQISA-N 1 2 393.491 3.363 10 0 GGAELO O=S(=O)(c1cc(Cl)cc(Cl)c1)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186112252 1431333026 /nfs/dbraw/zinc/33/30/26/1431333026.db2.gz PSGYJTGHXUWWMS-UHFFFAOYSA-N 1 2 386.304 3.289 10 0 GGAELO O=C(c1cc(Br)ncc1Cl)N1CC[NH+](Cc2ccccc2)CC1 ZINC000187115553 1431619984 /nfs/dbraw/zinc/61/99/84/1431619984.db2.gz CIMIZBXWJFPZMI-UHFFFAOYSA-N 1 2 394.700 3.456 10 0 GGAELO Cc1cn(-c2c(F)cccc2F)nc1C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000188346961 1431875665 /nfs/dbraw/zinc/87/56/65/1431875665.db2.gz AXIUMRYEMMDYRE-SUMWQHHRSA-N 1 2 385.418 3.379 10 0 GGAELO Cc1cc[nH+]c(NNC(=O)C(=O)Nc2c(C)cc(Br)cc2Cl)c1 ZINC000190036943 1432308759 /nfs/dbraw/zinc/30/87/59/1432308759.db2.gz ASTJRVPYIBHFAH-UHFFFAOYSA-N 1 2 397.660 3.196 10 0 GGAELO Cc1cc[nH+]c(NNC(=O)C(=O)Nc2ccc(Br)c3ccccc23)c1 ZINC000190052542 1432311772 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399.329 3.347 10 0 GGAELO CCOc1cc(C[N@H+]2CCC[C@H](NC(=O)CC)C2)cc(Br)c1OC ZINC000092705539 564881302 /nfs/dbraw/zinc/88/13/02/564881302.db2.gz CIHJJNRMAIBHFO-AWEZNQCLSA-N 1 2 399.329 3.347 10 0 GGAELO CCC(=O)N[C@H]1CCC[N@H+](Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000092705585 564881315 /nfs/dbraw/zinc/88/13/15/564881315.db2.gz QSMXBTKWVIAIIG-HNNXBMFYSA-N 1 2 391.313 3.330 10 0 GGAELO CCC(=O)N[C@H]1CCC[N@@H+](Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000092705585 564881317 /nfs/dbraw/zinc/88/13/17/564881317.db2.gz QSMXBTKWVIAIIG-HNNXBMFYSA-N 1 2 391.313 3.330 10 0 GGAELO Brc1ccc2[nH+]cc(CN3CCO[C@H](c4nccs4)C3)n2c1 ZINC000092831284 564882150 /nfs/dbraw/zinc/88/21/50/564882150.db2.gz KSVMTQFASXJPLC-ZDUSSCGKSA-N 1 2 379.283 3.127 10 0 GGAELO Cc1[nH+]c2ccccc2n1CCNc1cc(Br)cc(F)c1C(N)=O ZINC000092827355 564882475 /nfs/dbraw/zinc/88/24/75/564882475.db2.gz OPAGYKLYPNFHCA-UHFFFAOYSA-N 1 2 391.244 3.457 10 0 GGAELO COc1sc(CN2CCCC[C@@H]2C[NH+]2CCOCC2)cc1Br ZINC000093011241 564884020 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GGAELO C[N@H+]1CC[C@H](NC(=O)CCOCC(F)(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000152479469 564960720 /nfs/dbraw/zinc/96/07/20/564960720.db2.gz OKXJDZDFRUUXRI-ZFWWWQNUSA-N 1 2 382.785 3.310 10 0 GGAELO CCCN(C(=O)NC[C@H]1C[N@H+](C)CCO1)[C@@H](C)c1ccccc1Br ZINC000105282142 564964391 /nfs/dbraw/zinc/96/43/91/564964391.db2.gz ZJOHLWOUXKWBQS-GJZGRUSLSA-N 1 2 398.345 3.262 10 0 GGAELO CCCN(C(=O)NC[C@H]1C[N@@H+](C)CCO1)[C@@H](C)c1ccccc1Br ZINC000105282142 564964395 /nfs/dbraw/zinc/96/43/95/564964395.db2.gz ZJOHLWOUXKWBQS-GJZGRUSLSA-N 1 2 398.345 3.262 10 0 GGAELO C[C@H](c1cc(Cl)ccc1Cl)[NH+]1CCN(c2ccc3nncn3n2)CC1 ZINC000152578827 564964425 /nfs/dbraw/zinc/96/44/25/564964425.db2.gz WXZHGBWBNOWQLW-GFCCVEGCSA-N 1 2 377.279 3.314 10 0 GGAELO COc1ccc([C@H](C)[NH2+][C@H](C(N)=O)c2ccc(Br)cc2)cc1F ZINC000105400534 564965985 /nfs/dbraw/zinc/96/59/85/564965985.db2.gz QDRUSKOKOAWAOM-QFYYESIMSA-N 1 2 381.245 3.474 10 0 GGAELO COc1ccc(OC)c([C@@H](C)[NH2+][C@@H](C(N)=O)c2ccc(Br)cc2)c1 ZINC000105400420 564966189 /nfs/dbraw/zinc/96/61/89/564966189.db2.gz QWWZMDOSLKDPRJ-PIGZYNQJSA-N 1 2 393.281 3.344 10 0 GGAELO C[C@H](CC(=O)NCC(C)(C)[NH+]1CCOCC1)c1ccc(Br)cc1 ZINC000152901449 564976489 /nfs/dbraw/zinc/97/64/89/564976489.db2.gz RYXGXJMAYOQKMB-CQSZACIVSA-N 1 2 383.330 3.170 10 0 GGAELO CCc1ccc(C[NH+]2CCN(C(=O)Nc3nnc(C(F)F)s3)CC2)s1 ZINC000152901057 564976516 /nfs/dbraw/zinc/97/65/16/564976516.db2.gz HAUNSZJRTRQFLZ-UHFFFAOYSA-N 1 2 387.481 3.449 10 0 GGAELO Cc1ccc(N2CCC[N@H+](Cc3cc(Br)ccc3F)CC2)nn1 ZINC000106071881 564977355 /nfs/dbraw/zinc/97/73/55/564977355.db2.gz WAMCSJOSCOSVJO-UHFFFAOYSA-N 1 2 379.277 3.399 10 0 GGAELO Cc1ccc(N2CCC[N@@H+](Cc3cc(Br)ccc3F)CC2)nn1 ZINC000106071881 564977357 /nfs/dbraw/zinc/97/73/57/564977357.db2.gz WAMCSJOSCOSVJO-UHFFFAOYSA-N 1 2 379.277 3.399 10 0 GGAELO Cc1ncc(C[NH+]2CCN([C@@H](C)C(=O)Nc3cccc(Cl)c3)CC2)s1 ZINC000106091694 564978026 /nfs/dbraw/zinc/97/80/26/564978026.db2.gz CYALFMAFCSDHKZ-ZDUSSCGKSA-N 1 2 378.929 3.250 10 0 GGAELO Cc1ncc(C[NH+]2CCN(CC(=O)Nc3ccc(C)cc3Cl)CC2)s1 ZINC000106091299 564978035 /nfs/dbraw/zinc/97/80/35/564978035.db2.gz PAFVLZCETBZQGH-UHFFFAOYSA-N 1 2 378.929 3.170 10 0 GGAELO Cc1ncc(C[NH+]2CCN(CCC(=O)Nc3ccccc3Cl)CC2)s1 ZINC000106090440 564978385 /nfs/dbraw/zinc/97/83/85/564978385.db2.gz UFFQCCDOQAIPMN-UHFFFAOYSA-N 1 2 378.929 3.251 10 0 GGAELO C[C@@H](c1ccc(Cl)c(Cl)c1)[NH+]1CCN(c2ccc3nncn3n2)CC1 ZINC000106091826 564978413 /nfs/dbraw/zinc/97/84/13/564978413.db2.gz WMSAGCLPBROJCH-LBPRGKRZSA-N 1 2 377.279 3.314 10 0 GGAELO Cc1ncc(C[NH+]2CCN([C@@H](C)C(=O)Nc3ccccc3Cl)CC2)s1 ZINC000106090615 564978444 /nfs/dbraw/zinc/97/84/44/564978444.db2.gz XRYFNIDGSDVKRI-ZDUSSCGKSA-N 1 2 378.929 3.250 10 0 GGAELO CCn1cc(CN2CCC[N@H+](Cc3ccc(Br)cc3)CC2)cn1 ZINC000106158452 564979497 /nfs/dbraw/zinc/97/94/97/564979497.db2.gz YKACHRQDXXUUNO-UHFFFAOYSA-N 1 2 377.330 3.373 10 0 GGAELO CCn1cc(CN2CCC[N@@H+](Cc3ccc(Br)cc3)CC2)cn1 ZINC000106158452 564979499 /nfs/dbraw/zinc/97/94/99/564979499.db2.gz 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ZINC000153071647 564983405 /nfs/dbraw/zinc/98/34/05/564983405.db2.gz AGBCCXCDSGYTHB-UHFFFAOYSA-N 1 2 385.265 3.288 10 0 GGAELO O=C(NC1CC[NH+](Cc2ccccn2)CC1)c1ccc(Cl)c(Cl)c1O ZINC000106459140 564983772 /nfs/dbraw/zinc/98/37/72/564983772.db2.gz BHQZTMGXZQTNRN-UHFFFAOYSA-N 1 2 380.275 3.488 10 0 GGAELO O=C(NCc1ccc(Br)cc1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000106533755 564984888 /nfs/dbraw/zinc/98/48/88/564984888.db2.gz KIXSULBZFZUMOD-UHFFFAOYSA-N 1 2 389.297 3.312 10 0 GGAELO CCC[N@@H+](Cc1nnnn1-c1ccccc1Br)C[C@H]1CCCCO1 ZINC000106866261 564989876 /nfs/dbraw/zinc/98/98/76/564989876.db2.gz SPTHJDGBYBOVKW-CQSZACIVSA-N 1 2 394.317 3.206 10 0 GGAELO CCC[N@H+](Cc1nnnn1-c1ccccc1Br)C[C@H]1CCCCO1 ZINC000106866261 564989881 /nfs/dbraw/zinc/98/98/81/564989881.db2.gz SPTHJDGBYBOVKW-CQSZACIVSA-N 1 2 394.317 3.206 10 0 GGAELO CC(C)N(C)C(=O)[C@H](C)[NH+]1CCN(CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000153267272 564990123 /nfs/dbraw/zinc/99/01/23/564990123.db2.gz ILEYLTKGGJRDFY-HNNXBMFYSA-N 1 2 386.367 3.409 10 0 GGAELO CC(C)N(C)C(=O)[C@H](C)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000153267272 564990126 /nfs/dbraw/zinc/99/01/26/564990126.db2.gz ILEYLTKGGJRDFY-HNNXBMFYSA-N 1 2 386.367 3.409 10 0 GGAELO O=C(CCc1cc(Br)cs1)NCc1cccnc1-n1cc[nH+]c1 ZINC000107214590 564996040 /nfs/dbraw/zinc/99/60/40/564996040.db2.gz PGPFNTDVDGLGKE-UHFFFAOYSA-N 1 2 391.294 3.340 10 0 GGAELO CCn1cc(C[N@@H+]2CCCN(C(=O)c3sccc3Br)CC2)cn1 ZINC000107253705 564997326 /nfs/dbraw/zinc/99/73/26/564997326.db2.gz NPSNPXLNSCFUEO-UHFFFAOYSA-N 1 2 397.342 3.075 10 0 GGAELO CCn1cc(C[N@H+]2CCCN(C(=O)c3sccc3Br)CC2)cn1 ZINC000107253705 564997330 /nfs/dbraw/zinc/99/73/30/564997330.db2.gz NPSNPXLNSCFUEO-UHFFFAOYSA-N 1 2 397.342 3.075 10 0 GGAELO CCc1nc(CNC(=O)N2CC[NH+](Cc3ccc(Cl)cc3)CC2)cs1 ZINC000107756078 565002381 /nfs/dbraw/zinc/00/23/81/565002381.db2.gz MNKGSUKYVHSTTC-UHFFFAOYSA-N 1 2 378.929 3.386 10 0 GGAELO CCn1cc(Br)cc1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000108065102 565005664 /nfs/dbraw/zinc/00/56/64/565005664.db2.gz RXHIOFMVQRBYOP-UHFFFAOYSA-N 1 2 377.286 3.064 10 0 GGAELO Cc1nc(C[N@@H+]2CCCN(C(=O)Cc3sc(=S)[nH]c3C)CC2)cs1 ZINC000109651698 565029210 /nfs/dbraw/zinc/02/92/10/565029210.db2.gz VVBITNIHYAHOLX-UHFFFAOYSA-N 1 2 382.580 3.156 10 0 GGAELO Cc1nc(C[N@H+]2CCCN(C(=O)Cc3sc(=S)[nH]c3C)CC2)cs1 ZINC000109651698 565029212 /nfs/dbraw/zinc/02/92/12/565029212.db2.gz VVBITNIHYAHOLX-UHFFFAOYSA-N 1 2 382.580 3.156 10 0 GGAELO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)c2ccc(Br)cc2O)C1 ZINC000109676542 565029356 /nfs/dbraw/zinc/02/93/56/565029356.db2.gz PCCSRBOSWIBVLH-ZDUSSCGKSA-N 1 2 378.270 3.391 10 0 GGAELO O=C(CN1CCCC[C@@H]1C[NH+]1CCOCC1)Nc1cc(Cl)ccc1Cl ZINC000109820116 565031731 /nfs/dbraw/zinc/03/17/31/565031731.db2.gz NDBYUXKCALQNOC-OAHLLOKOSA-N 1 2 386.323 3.119 10 0 GGAELO C[C@@H](CNC(=O)Nc1cc(F)ccc1SCC(F)F)[NH+]1CCOCC1 ZINC000154390226 565036844 /nfs/dbraw/zinc/03/68/44/565036844.db2.gz UVLHECXQFIQCNE-NSHDSACASA-N 1 2 377.432 3.025 10 0 GGAELO OC[C@H]1CCCN(c2cc(NCc3cc(F)cc(Br)c3)[nH+]cn2)C1 ZINC000110254743 565038442 /nfs/dbraw/zinc/03/84/42/565038442.db2.gz PDASOCBMBVCGET-LBPRGKRZSA-N 1 2 395.276 3.199 10 0 GGAELO OC[C@H]1CCCN(c2cc(NCc3cc(F)cc(Br)c3)nc[nH+]2)C1 ZINC000110254743 565038446 /nfs/dbraw/zinc/03/84/46/565038446.db2.gz PDASOCBMBVCGET-LBPRGKRZSA-N 1 2 395.276 3.199 10 0 GGAELO OC[C@H]1CCCN1c1cc(NCc2ccc(Br)cc2Cl)[nH+]cn1 ZINC000110309143 565039175 /nfs/dbraw/zinc/03/91/75/565039175.db2.gz IETZTXQWCWZCEF-CYBMUJFWSA-N 1 2 397.704 3.466 10 0 GGAELO OC[C@H]1CCCN1c1cc(NCc2ccc(Br)cc2Cl)nc[nH+]1 ZINC000110309143 565039179 /nfs/dbraw/zinc/03/91/79/565039179.db2.gz IETZTXQWCWZCEF-CYBMUJFWSA-N 1 2 397.704 3.466 10 0 GGAELO O=C(NCCCNc1cc[nH+]c(C2CC2)n1)c1ccc(Br)cc1 ZINC000110481237 565040624 /nfs/dbraw/zinc/04/06/24/565040624.db2.gz OQLWHGJTCOESBP-UHFFFAOYSA-N 1 2 375.270 3.349 10 0 GGAELO O=C(NCCCNc1cc[nH+]c(C2CC2)n1)c1cccc(Br)c1 ZINC000110464555 565041117 /nfs/dbraw/zinc/04/11/17/565041117.db2.gz PTJVBKZGQKQXOF-UHFFFAOYSA-N 1 2 375.270 3.349 10 0 GGAELO Cc1ccc(NC(=O)C(=O)N[C@H](C)c2cccc(Br)c2)c(C)[nH+]1 ZINC000154497700 565041872 /nfs/dbraw/zinc/04/18/72/565041872.db2.gz YOURAHHTLYKXOQ-LLVKDONJSA-N 1 2 376.254 3.277 10 0 GGAELO Cc1ccc(NC(=O)C(=O)N[C@@H](C)c2cccc(Br)c2)c(C)[nH+]1 ZINC000154497587 565042031 /nfs/dbraw/zinc/04/20/31/565042031.db2.gz YOURAHHTLYKXOQ-NSHDSACASA-N 1 2 376.254 3.277 10 0 GGAELO O=C(CSCc1ccc(Cl)cc1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000110956743 565047994 /nfs/dbraw/zinc/04/79/94/565047994.db2.gz OUCXLMKJRFUYFB-GOSISDBHSA-N 1 2 382.957 3.287 10 0 GGAELO Cc1ncc(C[NH+]2CCN(C(=O)COc3ccc(Cl)c(C)c3)CC2)s1 ZINC000110941533 565048096 /nfs/dbraw/zinc/04/80/96/565048096.db2.gz ZUZPCVDPIMAHAY-UHFFFAOYSA-N 1 2 379.913 3.137 10 0 GGAELO Cc1ncc(C[NH+]2CCN(C(=O)c3cc(F)cc(Br)c3)CC2)s1 ZINC000110939632 565048137 /nfs/dbraw/zinc/04/81/37/565048137.db2.gz XBMRKASFCBDICO-UHFFFAOYSA-N 1 2 398.301 3.311 10 0 GGAELO O=C(c1csc(-c2ccsc2)n1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000110956447 565048229 /nfs/dbraw/zinc/04/82/29/565048229.db2.gz VHKUTTNHPBKBSX-OAHLLOKOSA-N 1 2 377.535 3.199 10 0 GGAELO Cc1ncc(C[NH+]2CCN(C(=O)C3(c4ccc(Cl)cc4)CC3)CC2)s1 ZINC000110940568 565048276 /nfs/dbraw/zinc/04/82/76/565048276.db2.gz NYVMMXRWBFZLLG-UHFFFAOYSA-N 1 2 375.925 3.481 10 0 GGAELO Cc1sc2nc(C[NH+]3CCCC3)nc(NCC[C@@H](C)[S@](C)=O)c2c1C ZINC000154763740 565051518 /nfs/dbraw/zinc/05/15/18/565051518.db2.gz KCZFDCUCYFIWOK-XELLLNAOSA-N 1 2 380.583 3.473 10 0 GGAELO COC(=O)C1([NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)CCCCC1 ZINC000111246139 565052124 /nfs/dbraw/zinc/05/21/24/565052124.db2.gz HPOKBJHQGNCWGS-LBPRGKRZSA-N 1 2 376.280 3.199 10 0 GGAELO C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)[NH+]1CCC(OCCCO)CC1 ZINC000154888675 565055509 /nfs/dbraw/zinc/05/55/09/565055509.db2.gz UDRNKFATYBHWFS-LBPRGKRZSA-N 1 2 375.296 3.184 10 0 GGAELO CC[N@H+](Cc1cc(Br)ccc1F)[C@@H](C)C(=O)Nc1ncccn1 ZINC000155157851 565063358 /nfs/dbraw/zinc/06/33/58/565063358.db2.gz HHURAYGWPSEOSL-NSHDSACASA-N 1 2 381.249 3.227 10 0 GGAELO CC[N@@H+](Cc1cc(Br)ccc1F)[C@@H](C)C(=O)Nc1ncccn1 ZINC000155157851 565063359 /nfs/dbraw/zinc/06/33/59/565063359.db2.gz HHURAYGWPSEOSL-NSHDSACASA-N 1 2 381.249 3.227 10 0 GGAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)COc1ccc(Br)cc1)C2 ZINC000112664573 565065365 /nfs/dbraw/zinc/06/53/65/565065365.db2.gz JQWLQQILEQHSKK-UHFFFAOYSA-N 1 2 392.297 3.270 10 0 GGAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)Cc1ccc(Br)cc1)C2 ZINC000112664440 565065387 /nfs/dbraw/zinc/06/53/87/565065387.db2.gz PQGIRHVCEKNQBN-UHFFFAOYSA-N 1 2 376.298 3.433 10 0 GGAELO C[C@H](CNC(=O)N(Cc1cccs1)Cc1cccs1)[NH+]1CCOCC1 ZINC000113374630 565069508 /nfs/dbraw/zinc/06/95/08/565069508.db2.gz HHEDJOMGAKVDKT-OAHLLOKOSA-N 1 2 379.551 3.242 10 0 GGAELO COc1cc[nH+]cc1NC(=O)C(=O)N[C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000113647261 565070851 /nfs/dbraw/zinc/07/08/51/565070851.db2.gz BFFUSJYUDCOOGM-GFCCVEGCSA-N 1 2 380.231 3.139 10 0 GGAELO CC[N@@H+]1CCc2nc(NC(=O)C(=O)c3ccc(Br)cc3)sc2C1 ZINC000114221638 565072772 /nfs/dbraw/zinc/07/27/72/565072772.db2.gz RJZFBKOBMLKVHL-UHFFFAOYSA-N 1 2 394.294 3.105 10 0 GGAELO CC[N@H+]1CCc2nc(NC(=O)C(=O)c3ccc(Br)cc3)sc2C1 ZINC000114221638 565072774 /nfs/dbraw/zinc/07/27/74/565072774.db2.gz RJZFBKOBMLKVHL-UHFFFAOYSA-N 1 2 394.294 3.105 10 0 GGAELO O=C(Cc1ccc(Br)s1)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000114317076 565073611 /nfs/dbraw/zinc/07/36/11/565073611.db2.gz MICHJXJKDZHIKJ-UHFFFAOYSA-N 1 2 380.311 3.365 10 0 GGAELO CCN(CC)c1ccc(CNC(=O)C(=O)c2ccc(Br)cc2)c[nH+]1 ZINC000114318344 565073919 /nfs/dbraw/zinc/07/39/19/565073919.db2.gz PSPFDFCJKABMAW-UHFFFAOYSA-N 1 2 390.281 3.189 10 0 GGAELO O=C(NCc1[nH]cc[nH+]1)c1cccnc1Oc1ccc(F)cc1Br ZINC000114336266 565073975 /nfs/dbraw/zinc/07/39/75/565073975.db2.gz HEQHQWZXXFLKGP-UHFFFAOYSA-N 1 2 391.200 3.429 10 0 GGAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)Cc1ccc(Br)s1)C2 ZINC000114357094 565074143 /nfs/dbraw/zinc/07/41/43/565074143.db2.gz OHRDPGCGFFYVTM-UHFFFAOYSA-N 1 2 382.327 3.495 10 0 GGAELO O=C(NCc1cn2cc(Cl)ccc2[nH+]1)N1CCO[C@H](c2cccs2)C1 ZINC000156045554 565074267 /nfs/dbraw/zinc/07/42/67/565074267.db2.gz YOXMRRWOGQUJSF-AWEZNQCLSA-N 1 2 376.869 3.332 10 0 GGAELO CN(Cc1cc(Br)cs1)C(=O)C[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000114483484 565074690 /nfs/dbraw/zinc/07/46/90/565074690.db2.gz SMTRTWFNXCVZEG-HNNXBMFYSA-N 1 2 397.342 3.419 10 0 GGAELO CN(Cc1cc(Br)cs1)C(=O)C[N@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000114483484 565074691 /nfs/dbraw/zinc/07/46/91/565074691.db2.gz SMTRTWFNXCVZEG-HNNXBMFYSA-N 1 2 397.342 3.419 10 0 GGAELO O=C(Nc1cccc(Br)c1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000156308779 565079191 /nfs/dbraw/zinc/07/91/91/565079191.db2.gz IWJSOOLGCXDZHT-MRXNPFEDSA-N 1 2 382.302 3.168 10 0 GGAELO C[C@@H]1CCN(C(=O)c2cc(Br)cc3nc[nH]c32)C[C@H]1n1cc[nH+]c1 ZINC000369206317 565080694 /nfs/dbraw/zinc/08/06/94/565080694.db2.gz MKHYTKBFBDSMHO-IAQYHMDHSA-N 1 2 388.269 3.245 10 0 GGAELO Cc1nc(C(F)(F)F)c(C[N@@H+](C)[C@H](C)c2cccc(S(N)(=O)=O)c2)s1 ZINC000183611094 565082072 /nfs/dbraw/zinc/08/20/72/565082072.db2.gz NOSGXEXTMWPEKX-SECBINFHSA-N 1 2 393.456 3.311 10 0 GGAELO Cc1nc(C(F)(F)F)c(C[N@H+](C)[C@H](C)c2cccc(S(N)(=O)=O)c2)s1 ZINC000183611094 565082074 /nfs/dbraw/zinc/08/20/74/565082074.db2.gz NOSGXEXTMWPEKX-SECBINFHSA-N 1 2 393.456 3.311 10 0 GGAELO Cc1cc(NC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)ccc1Br ZINC000156361967 565083250 /nfs/dbraw/zinc/08/32/50/565083250.db2.gz WWINAOHOCTYRJE-INIZCTEOSA-N 1 2 396.329 3.476 10 0 GGAELO Cc1nn(C)cc1C(=O)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000156395485 565084645 /nfs/dbraw/zinc/08/46/45/565084645.db2.gz QOKKUSXXFFXPAL-UHFFFAOYSA-N 1 2 381.307 3.036 10 0 GGAELO O=C(CC1CCOCC1)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000156427836 565087006 /nfs/dbraw/zinc/08/70/06/565087006.db2.gz UQVIVIJVOSMDBE-UHFFFAOYSA-N 1 2 385.335 3.497 10 0 GGAELO CC(C)n1nnnc1C[NH+]1CCC(Oc2cccc(Br)c2)CC1 ZINC000183829235 565096516 /nfs/dbraw/zinc/09/65/16/565096516.db2.gz QZSFKSZXFFYKAY-UHFFFAOYSA-N 1 2 380.290 3.060 10 0 GGAELO Cn1c(C[NH2+][C@@H](CO)c2cccc(Br)c2)nnc1-c1ccccc1 ZINC000183883463 565100275 /nfs/dbraw/zinc/10/02/75/565100275.db2.gz CXPRQSANXJOMIY-INIZCTEOSA-N 1 2 387.281 3.068 10 0 GGAELO C[C@H]1C[NH+]=C(N2CCN(c3ncnc4ccc(Br)cc43)CC2)S1 ZINC000156668783 565100815 /nfs/dbraw/zinc/10/08/15/565100815.db2.gz NEBPVWATUOMCBO-NSHDSACASA-N 1 2 392.326 3.006 10 0 GGAELO CCc1nnc([C@@H]2C[N@H+](C[C@@H](C)c3cccc(Br)c3)CCO2)[nH]1 ZINC000156714184 565102160 /nfs/dbraw/zinc/10/21/60/565102160.db2.gz HFQPATXGOPCGCA-DOMZBBRYSA-N 1 2 379.302 3.307 10 0 GGAELO CCc1nnc([C@@H]2C[N@@H+](C[C@@H](C)c3cccc(Br)c3)CCO2)[nH]1 ZINC000156714184 565102162 /nfs/dbraw/zinc/10/21/62/565102162.db2.gz HFQPATXGOPCGCA-DOMZBBRYSA-N 1 2 379.302 3.307 10 0 GGAELO CCc1nnc([C@H]2C[N@H+](C[C@@H](C)c3cccc(Br)c3)CCO2)[nH]1 ZINC000156714317 565102738 /nfs/dbraw/zinc/10/27/38/565102738.db2.gz HFQPATXGOPCGCA-IUODEOHRSA-N 1 2 379.302 3.307 10 0 GGAELO CCc1nnc([C@H]2C[N@@H+](C[C@@H](C)c3cccc(Br)c3)CCO2)[nH]1 ZINC000156714317 565102744 /nfs/dbraw/zinc/10/27/44/565102744.db2.gz HFQPATXGOPCGCA-IUODEOHRSA-N 1 2 379.302 3.307 10 0 GGAELO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)Nc2cc(F)cc(Br)c2F)C1 ZINC000369671651 565104958 /nfs/dbraw/zinc/10/49/58/565104958.db2.gz VCGBQGCQGUDPPT-SECBINFHSA-N 1 2 385.212 3.482 10 0 GGAELO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)[C@H]1CCCN1CC(F)(F)F ZINC000292563686 565121937 /nfs/dbraw/zinc/12/19/37/565121937.db2.gz JWNADUPNCNGVLX-CYBMUJFWSA-N 1 2 376.448 3.094 10 0 GGAELO Cc1[nH+]ccn1-c1ccc(NC(=O)c2cc(Br)cc3[nH]cnc32)cn1 ZINC000370013306 565121866 /nfs/dbraw/zinc/12/18/66/565121866.db2.gz YPRZNWRURMMLAS-UHFFFAOYSA-N 1 2 397.236 3.467 10 0 GGAELO Cc1[nH+]ccn1-c1ccc(NC(=O)c2cc(Br)cc3nc[nH]c32)cn1 ZINC000370013306 565121874 /nfs/dbraw/zinc/12/18/74/565121874.db2.gz YPRZNWRURMMLAS-UHFFFAOYSA-N 1 2 397.236 3.467 10 0 GGAELO CCc1ccc(C[NH+]2CCN(C(=O)NC[C@@H](C)c3nccs3)CC2)s1 ZINC000184275130 565125517 /nfs/dbraw/zinc/12/55/17/565125517.db2.gz YODOCNOIOJCMKY-CQSZACIVSA-N 1 2 378.567 3.398 10 0 GGAELO Cc1cnc(CC[N@@H+](C)CC(=O)Nc2ccc(Br)cc2F)s1 ZINC000157509354 565135243 /nfs/dbraw/zinc/13/52/43/565135243.db2.gz 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565151258 /nfs/dbraw/zinc/15/12/58/565151258.db2.gz QFIVRBDRUPGUGC-BZUAXINKSA-N 1 2 387.261 3.060 10 0 GGAELO CN(C(=O)CCc1c[nH+]cn1C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000370596109 565151584 /nfs/dbraw/zinc/15/15/84/565151584.db2.gz CSMLULSQJKJCNY-OAHLLOKOSA-N 1 2 378.270 3.097 10 0 GGAELO Brc1cccc2c1OCC[C@@H]2[NH2+]Cc1nnnn1-c1ccccc1 ZINC000370652198 565153893 /nfs/dbraw/zinc/15/38/93/565153893.db2.gz NCCCPCNNYDAICI-HNNXBMFYSA-N 1 2 386.253 3.038 10 0 GGAELO COc1ccc([C@@H](C)NC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)cc1Br ZINC000370672132 565155415 /nfs/dbraw/zinc/15/54/15/565155415.db2.gz BOAHKJFUOOTNBT-ZYHUDNBSSA-N 1 2 393.285 3.099 10 0 GGAELO COc1ccc([C@@H](C)NC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)cc1Br ZINC000370672132 565155420 /nfs/dbraw/zinc/15/54/20/565155420.db2.gz BOAHKJFUOOTNBT-ZYHUDNBSSA-N 1 2 393.285 3.099 10 0 GGAELO Cc1cc(C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)c(C)cc1Br ZINC000158097824 565155615 /nfs/dbraw/zinc/15/56/15/565155615.db2.gz QGZWETYLQDXDMV-MRXNPFEDSA-N 1 2 395.341 3.393 10 0 GGAELO Brc1cccc2c1OCC[C@@H]2[NH2+]Cc1nnc2n1CCCCC2 ZINC000268734671 565165297 /nfs/dbraw/zinc/16/52/97/565165297.db2.gz PIXXYRPHUAQRMJ-AWEZNQCLSA-N 1 2 377.286 3.380 10 0 GGAELO O=C(C1CC[NH+](Cc2nc3cc(Br)ccc3[nH]2)CC1)N1CCCC1 ZINC000158358905 565167419 /nfs/dbraw/zinc/16/74/19/565167419.db2.gz RWUYFHFTGWSCKO-UHFFFAOYSA-N 1 2 391.313 3.160 10 0 GGAELO O=C(C1CC[NH+](Cc2nc3ccc(Br)cc3[nH]2)CC1)N1CCCC1 ZINC000158358905 565167425 /nfs/dbraw/zinc/16/74/25/565167425.db2.gz RWUYFHFTGWSCKO-UHFFFAOYSA-N 1 2 391.313 3.160 10 0 GGAELO CCOC(=O)c1csc(C[NH2+][C@@](C)(CO)c2ccc(Br)cc2)n1 ZINC000293436258 565169053 /nfs/dbraw/zinc/16/90/53/565169053.db2.gz UTXJTBUJDAAHHI-INIZCTEOSA-N 1 2 399.310 3.080 10 0 GGAELO O=C(c1cccs1)N1CCC[N@@H+](C[C@@H](O)c2ccc(F)cc2Cl)CC1 ZINC000185010121 565171528 /nfs/dbraw/zinc/17/15/28/565171528.db2.gz QRIJLDAKXLHEHW-MRXNPFEDSA-N 1 2 382.888 3.422 10 0 GGAELO O=C(c1cccs1)N1CCC[N@H+](C[C@@H](O)c2ccc(F)cc2Cl)CC1 ZINC000185010121 565171533 /nfs/dbraw/zinc/17/15/33/565171533.db2.gz 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565182141 /nfs/dbraw/zinc/18/21/41/565182141.db2.gz VRVVNZRNVDYFGW-QGZVFWFLSA-N 1 2 379.254 3.095 10 0 GGAELO Cc1ccc(CS(=O)(=O)Cc2cn3cc(Br)ccc3n2)c(C)[nH+]1 ZINC000185172004 565183506 /nfs/dbraw/zinc/18/35/06/565183506.db2.gz HDVRNAAFUMCXSG-UHFFFAOYSA-N 1 2 394.294 3.224 10 0 GGAELO C[C@H](CC(=O)c1cccc(Br)c1)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000371301338 565185477 /nfs/dbraw/zinc/18/54/77/565185477.db2.gz FDQXBWOMLKWPRC-RISCZKNCSA-N 1 2 390.281 3.055 10 0 GGAELO C[C@H](CC(=O)c1cccc(Br)c1)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000371301338 565185481 /nfs/dbraw/zinc/18/54/81/565185481.db2.gz FDQXBWOMLKWPRC-RISCZKNCSA-N 1 2 390.281 3.055 10 0 GGAELO C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000371362440 565188272 /nfs/dbraw/zinc/18/82/72/565188272.db2.gz WDTDAFFWGGPQSQ-JQWIXIFHSA-N 1 2 380.261 3.164 10 0 GGAELO C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000371362440 565188277 /nfs/dbraw/zinc/18/82/77/565188277.db2.gz WDTDAFFWGGPQSQ-JQWIXIFHSA-N 1 2 380.261 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565192796 /nfs/dbraw/zinc/19/27/96/565192796.db2.gz JTJKLSDHETUWQP-GFCCVEGCSA-N 1 2 379.302 3.064 10 0 GGAELO CCCNC(=O)[C@@H]1CCC[N@@H+](Cc2nc3ccc(Br)cc3[nH]2)C1 ZINC000159047551 565192803 /nfs/dbraw/zinc/19/28/03/565192803.db2.gz JTJKLSDHETUWQP-GFCCVEGCSA-N 1 2 379.302 3.064 10 0 GGAELO CCC1(CC)C[N@H+](C[C@H](O)COc2cc(Cl)ccc2Cl)CC[S@@]1=O ZINC000185285564 565193454 /nfs/dbraw/zinc/19/34/54/565193454.db2.gz XQERZLHXAWVCMB-BSEYFRJRSA-N 1 2 394.364 3.356 10 0 GGAELO CCC1(CC)C[N@@H+](C[C@H](O)COc2cc(Cl)ccc2Cl)CC[S@@]1=O ZINC000185285564 565193455 /nfs/dbraw/zinc/19/34/55/565193455.db2.gz XQERZLHXAWVCMB-BSEYFRJRSA-N 1 2 394.364 3.356 10 0 GGAELO CCC1(CC)C[N@H+](C[C@H](O)COc2c(Cl)cccc2Cl)CC[S@@]1=O ZINC000185285607 565193495 /nfs/dbraw/zinc/19/34/95/565193495.db2.gz LIIOTRFQQMXZRH-RZFZLAGVSA-N 1 2 394.364 3.356 10 0 GGAELO CCC1(CC)C[N@@H+](C[C@H](O)COc2c(Cl)cccc2Cl)CC[S@@]1=O ZINC000185285607 565193498 /nfs/dbraw/zinc/19/34/98/565193498.db2.gz LIIOTRFQQMXZRH-RZFZLAGVSA-N 1 2 394.364 3.356 10 0 GGAELO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)c1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC000371454328 565193489 /nfs/dbraw/zinc/19/34/89/565193489.db2.gz GOGRQJJSEQBEGW-NSHDSACASA-N 1 2 376.247 3.190 10 0 GGAELO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)c1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC000371454328 565193491 /nfs/dbraw/zinc/19/34/91/565193491.db2.gz GOGRQJJSEQBEGW-NSHDSACASA-N 1 2 376.247 3.190 10 0 GGAELO Cc1ccc(CN2C(=O)N[C@@](C)(c3ccc(Br)cc3)C2=O)c(C)[nH+]1 ZINC000185299433 565195044 /nfs/dbraw/zinc/19/50/44/565195044.db2.gz QQJFIVSNZOPJRH-SFHVURJKSA-N 1 2 388.265 3.428 10 0 GGAELO CCn1cnnc1[C@H]1CCC[N@H+](Cc2nc3ccc(Br)cc3[nH]2)C1 ZINC000159129484 565195696 /nfs/dbraw/zinc/19/56/96/565195696.db2.gz PTFFTVYYYKFGTQ-LBPRGKRZSA-N 1 2 389.301 3.316 10 0 GGAELO CCn1cnnc1[C@H]1CCC[N@@H+](Cc2nc3ccc(Br)cc3[nH]2)C1 ZINC000159129484 565195698 /nfs/dbraw/zinc/19/56/98/565195698.db2.gz PTFFTVYYYKFGTQ-LBPRGKRZSA-N 1 2 389.301 3.316 10 0 GGAELO CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2nc3ccc(Br)cc3[nH]2)C1 ZINC000159161825 565197006 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CCOC(=O)c1cc(C)sc1NC(=O)C[N@H+](CC)CCc1nccs1 ZINC000159332445 565203249 /nfs/dbraw/zinc/20/32/49/565203249.db2.gz JEYHJMJWCXVAMV-UHFFFAOYSA-N 1 2 381.523 3.193 10 0 GGAELO CCOC(=O)c1cc(C)sc1NC(=O)C[N@@H+](CC)CCc1nccs1 ZINC000159332445 565203253 /nfs/dbraw/zinc/20/32/53/565203253.db2.gz JEYHJMJWCXVAMV-UHFFFAOYSA-N 1 2 381.523 3.193 10 0 GGAELO O=S1(=O)CCC(C[N@H+]2CCC[C@@H]2c2ccc(Br)s2)CC1 ZINC000371712815 565205188 /nfs/dbraw/zinc/20/51/88/565205188.db2.gz BAAKYNVFSLBKHY-GFCCVEGCSA-N 1 2 378.357 3.472 10 0 GGAELO O=S1(=O)CCC(C[N@@H+]2CCC[C@@H]2c2ccc(Br)s2)CC1 ZINC000371712815 565205193 /nfs/dbraw/zinc/20/51/93/565205193.db2.gz BAAKYNVFSLBKHY-GFCCVEGCSA-N 1 2 378.357 3.472 10 0 GGAELO Cc1cn2c([nH+]1)CN(C(=O)N[C@@H]1CCc3c1cccc3Br)CC2 ZINC000371704355 565206000 /nfs/dbraw/zinc/20/60/00/565206000.db2.gz VNQCQJKSICMTIN-OAHLLOKOSA-N 1 2 375.270 3.167 10 0 GGAELO O=C1[C@@H](Nc2cc[nH+]c3c(Br)cccc23)CCN1C1CCOCC1 ZINC000371825478 565211379 /nfs/dbraw/zinc/21/13/79/565211379.db2.gz VDRSWPWHEUHIFZ-INIZCTEOSA-N 1 2 390.281 3.189 10 0 GGAELO C[C@H](C[N@@H+]1CCC[C@@H]1c1cc(F)cc(Br)c1)CS(C)(=O)=O ZINC000185641426 565213425 /nfs/dbraw/zinc/21/34/25/565213425.db2.gz XUPCPENGBKELJR-IAQYHMDHSA-N 1 2 378.307 3.406 10 0 GGAELO C[C@H](C[N@H+]1CCC[C@@H]1c1cc(F)cc(Br)c1)CS(C)(=O)=O ZINC000185641426 565213429 /nfs/dbraw/zinc/21/34/29/565213429.db2.gz XUPCPENGBKELJR-IAQYHMDHSA-N 1 2 378.307 3.406 10 0 GGAELO COc1ccc(CNC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1Br ZINC000371906004 565213989 /nfs/dbraw/zinc/21/39/89/565213989.db2.gz MOJSPWOFVHGKFE-UHFFFAOYSA-N 1 2 393.285 3.270 10 0 GGAELO COc1ccc(CNC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1Br ZINC000371906004 565213995 /nfs/dbraw/zinc/21/39/95/565213995.db2.gz MOJSPWOFVHGKFE-UHFFFAOYSA-N 1 2 393.285 3.270 10 0 GGAELO Brc1csc(C[NH2+]Cc2nc(COc3ccccc3)n[nH]2)c1 ZINC000185756035 565220310 /nfs/dbraw/zinc/22/03/10/565220310.db2.gz NTMOALKRQDPCNT-UHFFFAOYSA-N 1 2 379.283 3.498 10 0 GGAELO C[C@@H]1CN(C(=O)c2ccc(Cl)cc2C(F)(F)F)C[C@@H]1[NH+]1CCOCC1 ZINC000185937232 565230044 /nfs/dbraw/zinc/23/00/44/565230044.db2.gz BFTJBFROORSJIQ-ABAIWWIYSA-N 1 2 376.806 3.152 10 0 GGAELO Cc1cc(Br)cn2cc(CNC(=O)c3cnc(C4CC4)nc3)[nH+]c12 ZINC000294847219 565232255 /nfs/dbraw/zinc/23/22/55/565232255.db2.gz ARKCQIMSGYKUCA-UHFFFAOYSA-N 1 2 386.253 3.003 10 0 GGAELO O=C(c1cc(Br)c(F)cc1O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000294980974 565238008 /nfs/dbraw/zinc/23/80/08/565238008.db2.gz NVXTVGCHXFIFBN-LBPRGKRZSA-N 1 2 385.277 3.242 10 0 GGAELO O=C(c1cc(Br)c(F)cc1O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000294980972 565238279 /nfs/dbraw/zinc/23/82/79/565238279.db2.gz NVXTVGCHXFIFBN-GFCCVEGCSA-N 1 2 385.277 3.242 10 0 GGAELO COC(=O)[C@@H](c1cccc(Br)c1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000372450208 565239123 /nfs/dbraw/zinc/23/91/23/565239123.db2.gz RXDYUXTWQIBXPC-MRXNPFEDSA-N 1 2 378.270 3.266 10 0 GGAELO NC(=O)[C@H]([NH2+][C@H]1CCOc2c(Br)cccc21)c1ccc(F)cc1 ZINC000372519653 565243093 /nfs/dbraw/zinc/24/30/93/565243093.db2.gz BFRUCWYYCNHFRW-LSDHHAIUSA-N 1 2 379.229 3.228 10 0 GGAELO NC(=O)[C@@H]([NH2+][C@H]1CCOc2c(Br)cccc21)c1ccc(F)cc1 ZINC000372519651 565243678 /nfs/dbraw/zinc/24/36/78/565243678.db2.gz BFRUCWYYCNHFRW-GJZGRUSLSA-N 1 2 379.229 3.228 10 0 GGAELO CCOC(=O)c1nn(C)cc1C[NH2+]C1(c2ccc(Br)cc2)CC1 ZINC000186298329 565253492 /nfs/dbraw/zinc/25/34/92/565253492.db2.gz GEMAPPLXCOXMMT-UHFFFAOYSA-N 1 2 378.270 3.138 10 0 GGAELO O=C(c1cc(F)ccc1Br)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186406326 565259175 /nfs/dbraw/zinc/25/91/75/565259175.db2.gz VWXCHMDJLYOOJK-UHFFFAOYSA-N 1 2 378.245 3.336 10 0 GGAELO Fc1cccc(C[NH2+]Cc2cccc(N3CCOCC3)n2)c1Br ZINC000295370394 565262262 /nfs/dbraw/zinc/26/22/62/565262262.db2.gz JRXCPBXTFVKMDD-UHFFFAOYSA-N 1 2 380.261 3.110 10 0 GGAELO COc1ccc(Br)cc1CC(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C ZINC000295376787 565262315 /nfs/dbraw/zinc/26/23/15/565262315.db2.gz DMMAXIINUWXZQJ-MRXNPFEDSA-N 1 2 392.297 3.343 10 0 GGAELO COc1ccc([C@H]([NH2+]Cc2cncc(Br)c2)c2nccn2C)cc1 ZINC000186585409 565269911 /nfs/dbraw/zinc/26/99/11/565269911.db2.gz USUKVQNMYXRQKY-KRWDZBQOSA-N 1 2 387.281 3.465 10 0 GGAELO CN(Cc1ncc(Cl)n1C)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000272157771 565279360 /nfs/dbraw/zinc/27/93/60/565279360.db2.gz AFHDASAFDGMERY-UHFFFAOYSA-N 1 2 382.921 3.180 10 0 GGAELO COc1ccc(S(=O)(=O)N(C)Cc2ccc(C)[nH+]c2C)cc1Br ZINC000186793133 565286137 /nfs/dbraw/zinc/28/61/37/565286137.db2.gz XVZHCLKEXXJMNU-UHFFFAOYSA-N 1 2 399.310 3.290 10 0 GGAELO Cc1occc1C(=O)NC1CC[NH+](Cc2cccc(Br)n2)CC1 ZINC000272403183 565286218 /nfs/dbraw/zinc/28/62/18/565286218.db2.gz JPQOBOKLBOXBBL-UHFFFAOYSA-N 1 2 378.270 3.140 10 0 GGAELO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)Cc2sccc2Br)CC1 ZINC000295805910 565288252 /nfs/dbraw/zinc/28/82/52/565288252.db2.gz KWDMFOZHGAZDMI-CYBMUJFWSA-N 1 2 394.338 3.354 10 0 GGAELO O=C(CS(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000161816016 565294101 /nfs/dbraw/zinc/29/41/01/565294101.db2.gz IXKSHQGEEJXPRA-UHFFFAOYSA-N 1 2 375.837 3.143 10 0 GGAELO Cc1ccc(C[NH+]2CCN(C(=O)c3ccc(Br)cc3)CC2)c(C)n1 ZINC000186921099 565294841 /nfs/dbraw/zinc/29/48/41/565294841.db2.gz LWOPYBSUFIRLSJ-UHFFFAOYSA-N 1 2 388.309 3.419 10 0 GGAELO Brc1cncnc1N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000272979556 565303897 /nfs/dbraw/zinc/30/38/97/565303897.db2.gz AOFCMTWWQSYYHS-UHFFFAOYSA-N 1 2 384.281 3.241 10 0 GGAELO CC[C@H]1C[N@H+](Cc2nc3cc(Br)ccc3[nH]2)C[C@]2(CCOC2)O1 ZINC000373802989 565304551 /nfs/dbraw/zinc/30/45/51/565304551.db2.gz BYGGAEMWVCIAOZ-GUYCJALGSA-N 1 2 380.286 3.095 10 0 GGAELO CC[C@H]1C[N@@H+](Cc2nc3cc(Br)ccc3[nH]2)C[C@]2(CCOC2)O1 ZINC000373802989 565304553 /nfs/dbraw/zinc/30/45/53/565304553.db2.gz BYGGAEMWVCIAOZ-GUYCJALGSA-N 1 2 380.286 3.095 10 0 GGAELO CCC[N@@H+](CC(=O)Nc1cc(Cl)ccc1Cl)C[C@H](C)CS(C)(=O)=O ZINC000162242331 565309802 /nfs/dbraw/zinc/30/98/02/565309802.db2.gz KEFCERDRNNIFIR-LBPRGKRZSA-N 1 2 395.352 3.325 10 0 GGAELO CCC[N@H+](CC(=O)Nc1cc(Cl)ccc1Cl)C[C@H](C)CS(C)(=O)=O ZINC000162242331 565309806 /nfs/dbraw/zinc/30/98/06/565309806.db2.gz KEFCERDRNNIFIR-LBPRGKRZSA-N 1 2 395.352 3.325 10 0 GGAELO CCC[N@@H+](CC(=O)Nc1cc(Cl)ccc1Cl)C[C@@H](C)CS(C)(=O)=O ZINC000162242236 565310441 /nfs/dbraw/zinc/31/04/41/565310441.db2.gz KEFCERDRNNIFIR-GFCCVEGCSA-N 1 2 395.352 3.325 10 0 GGAELO CCC[N@H+](CC(=O)Nc1cc(Cl)ccc1Cl)C[C@@H](C)CS(C)(=O)=O ZINC000162242236 565310444 /nfs/dbraw/zinc/31/04/44/565310444.db2.gz KEFCERDRNNIFIR-GFCCVEGCSA-N 1 2 395.352 3.325 10 0 GGAELO CC(C)(C)OC(=O)[C@H]1CC[N@H+](Cc2nc3cc(Br)ccc3[nH]2)C1 ZINC000187132819 565312386 /nfs/dbraw/zinc/31/23/86/565312386.db2.gz RAGOPDQPIYOCIL-NSHDSACASA-N 1 2 380.286 3.489 10 0 GGAELO CC(C)(C)OC(=O)[C@H]1CC[N@@H+](Cc2nc3cc(Br)ccc3[nH]2)C1 ZINC000187132819 565312391 /nfs/dbraw/zinc/31/23/91/565312391.db2.gz RAGOPDQPIYOCIL-NSHDSACASA-N 1 2 380.286 3.489 10 0 GGAELO CC(C)(C)OC(=O)[C@H]1CC[N@H+](Cc2nc3ccc(Br)cc3[nH]2)C1 ZINC000187132819 565312394 /nfs/dbraw/zinc/31/23/94/565312394.db2.gz RAGOPDQPIYOCIL-NSHDSACASA-N 1 2 380.286 3.489 10 0 GGAELO CC(C)(C)OC(=O)[C@H]1CC[N@@H+](Cc2nc3ccc(Br)cc3[nH]2)C1 ZINC000187132819 565312401 /nfs/dbraw/zinc/31/24/01/565312401.db2.gz RAGOPDQPIYOCIL-NSHDSACASA-N 1 2 380.286 3.489 10 0 GGAELO CC(C)(C)OC(=O)[C@@H]1CC[N@H+](Cc2nc3cc(Br)ccc3[nH]2)C1 ZINC000187132805 565312450 /nfs/dbraw/zinc/31/24/50/565312450.db2.gz RAGOPDQPIYOCIL-LLVKDONJSA-N 1 2 380.286 3.489 10 0 GGAELO CC(C)(C)OC(=O)[C@@H]1CC[N@@H+](Cc2nc3cc(Br)ccc3[nH]2)C1 ZINC000187132805 565312455 /nfs/dbraw/zinc/31/24/55/565312455.db2.gz RAGOPDQPIYOCIL-LLVKDONJSA-N 1 2 380.286 3.489 10 0 GGAELO CC(C)(C)OC(=O)[C@@H]1CC[N@H+](Cc2nc3ccc(Br)cc3[nH]2)C1 ZINC000187132805 565312458 /nfs/dbraw/zinc/31/24/58/565312458.db2.gz RAGOPDQPIYOCIL-LLVKDONJSA-N 1 2 380.286 3.489 10 0 GGAELO CC(C)(C)OC(=O)[C@@H]1CC[N@@H+](Cc2nc3ccc(Br)cc3[nH]2)C1 ZINC000187132805 565312465 /nfs/dbraw/zinc/31/24/65/565312465.db2.gz RAGOPDQPIYOCIL-LLVKDONJSA-N 1 2 380.286 3.489 10 0 GGAELO O=S(=O)(c1cccc2c(Cl)ccnc21)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000296363692 565314881 /nfs/dbraw/zinc/31/48/81/565314881.db2.gz QZZIVBRHZOSOSI-UHFFFAOYSA-N 1 2 376.869 3.180 10 0 GGAELO CCn1cc[nH+]c1CNC(=O)C(=O)Nc1cc(Cl)ccc1SC(C)C ZINC000296408228 565315885 /nfs/dbraw/zinc/31/58/85/565315885.db2.gz DHGHGGPRRBRWFN-UHFFFAOYSA-N 1 2 380.901 3.312 10 0 GGAELO Cc1ccc(C[S@@](=O)CC(=O)Nc2ccc(Br)cc2)c(C)[nH+]1 ZINC000187214674 565316832 /nfs/dbraw/zinc/31/68/32/565316832.db2.gz JJPPTNPBZUNMRQ-JOCHJYFZSA-N 1 2 381.295 3.348 10 0 GGAELO C[C@@H](C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1)c1ccc(Br)cc1 ZINC000162447325 565317330 /nfs/dbraw/zinc/31/73/30/565317330.db2.gz BEDWEUONGBJQQS-QAPCUYQASA-N 1 2 395.341 3.266 10 0 GGAELO CCn1cc[nH+]c1CNC(=O)Nc1ccc(N2CCSCC2)c(Cl)c1 ZINC000296467785 565319330 /nfs/dbraw/zinc/31/93/30/565319330.db2.gz OKIQNCZTDVFSLS-UHFFFAOYSA-N 1 2 379.917 3.431 10 0 GGAELO OC[C@@]1([NH2+]Cc2nc3cc(Br)ccc3[nH]2)CCOc2ccccc21 ZINC000374134248 565321887 /nfs/dbraw/zinc/32/18/87/565321887.db2.gz AHOOPKSBKGMSAR-SFHVURJKSA-N 1 2 388.265 3.085 10 0 GGAELO OC[C@@]1([NH2+]Cc2nc3ccc(Br)cc3[nH]2)CCOc2ccccc21 ZINC000374134248 565321892 /nfs/dbraw/zinc/32/18/92/565321892.db2.gz AHOOPKSBKGMSAR-SFHVURJKSA-N 1 2 388.265 3.085 10 0 GGAELO C[C@H]([NH2+][C@@H]1CCN(c2ccccc2)C1=O)c1ncc(Br)cc1F ZINC000187309663 565323023 /nfs/dbraw/zinc/32/30/23/565323023.db2.gz GRPKFGQVPMYJFB-XHDPSFHLSA-N 1 2 378.245 3.439 10 0 GGAELO C[C@@H](NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccccc1Br ZINC000162931112 565332041 /nfs/dbraw/zinc/33/20/41/565332041.db2.gz VNGCWHZAXVRICS-ZIAGYGMSSA-N 1 2 389.297 3.483 10 0 GGAELO O=C(N[C@@H]1CCOc2c(Br)cccc21)c1ccnc(-n2cc[nH+]c2)c1 ZINC000374353103 565334323 /nfs/dbraw/zinc/33/43/23/565334323.db2.gz TWOLEFNQJOIAMP-OAHLLOKOSA-N 1 2 399.248 3.283 10 0 GGAELO O=C(c1cc2c(cccc2Br)[nH]1)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000374389109 565336997 /nfs/dbraw/zinc/33/69/97/565336997.db2.gz RURMOVZIEQDFNF-QGZVFWFLSA-N 1 2 385.265 3.112 10 0 GGAELO O=S(=O)(CCc1cccs1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000374446642 565339962 /nfs/dbraw/zinc/33/99/62/565339962.db2.gz LLPFUZXXEDUKIG-HNNXBMFYSA-N 1 2 379.551 3.033 10 0 GGAELO O=C(CCCc1ccccc1Br)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000163222590 565340411 /nfs/dbraw/zinc/34/04/11/565340411.db2.gz CHVLGEBCUGEVGP-QGZVFWFLSA-N 1 2 395.341 3.095 10 0 GGAELO COc1cc(Br)ccc1CNC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000187622348 565346879 /nfs/dbraw/zinc/34/68/79/565346879.db2.gz XNNFGYLDQCGGJT-UHFFFAOYSA-N 1 2 389.253 3.105 10 0 GGAELO C[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccsc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000163576687 565348560 /nfs/dbraw/zinc/34/85/60/565348560.db2.gz KGXHCCGMLPLELW-CABCVRRESA-N 1 2 381.860 3.041 10 0 GGAELO C[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccsc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000163576687 565348567 /nfs/dbraw/zinc/34/85/67/565348567.db2.gz KGXHCCGMLPLELW-CABCVRRESA-N 1 2 381.860 3.041 10 0 GGAELO COc1ccc([C@@H](C)NC(=O)N2CCn3cc(C)[nH+]c3C2)cc1Br ZINC000374711995 565351770 /nfs/dbraw/zinc/35/17/70/565351770.db2.gz SKRSJAMNEJJUIJ-GFCCVEGCSA-N 1 2 393.285 3.249 10 0 GGAELO COc1ccc([C@H](C)NC(=O)N2CCn3cc(C)[nH+]c3C2)cc1Br ZINC000374711996 565352069 /nfs/dbraw/zinc/35/20/69/565352069.db2.gz SKRSJAMNEJJUIJ-LBPRGKRZSA-N 1 2 393.285 3.249 10 0 GGAELO O=C(NCc1cc(F)cc(Br)c1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000163956115 565353433 /nfs/dbraw/zinc/35/34/33/565353433.db2.gz SHCUHNCQGPUPOF-OAHLLOKOSA-N 1 2 393.260 3.061 10 0 GGAELO COc1cc(Br)ccc1CNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000187848504 565359158 /nfs/dbraw/zinc/35/91/58/565359158.db2.gz YXCCZNYIAHAUHL-OAHLLOKOSA-N 1 2 393.285 3.028 10 0 GGAELO C[C@H](Cc1ccccc1Br)NC(=O)NCc1ccc[nH+]c1N(C)C ZINC000164454151 565360297 /nfs/dbraw/zinc/36/02/97/565360297.db2.gz LAWRGWBSUOWOFF-CYBMUJFWSA-N 1 2 391.313 3.341 10 0 GGAELO CCOc1cc(C[NH2+]Cc2csc(COC)n2)cc(Br)c1O ZINC000297306629 565366827 /nfs/dbraw/zinc/36/68/27/565366827.db2.gz BNNNCXVOSYJGDO-UHFFFAOYSA-N 1 2 387.299 3.446 10 0 GGAELO Cc1[nH+]ccc(NS(=O)(=O)c2cc3c(cc2Cl)OCCO3)c1Cl ZINC000165274061 565369303 /nfs/dbraw/zinc/36/93/03/565369303.db2.gz FPHJOZQXHUBRSI-UHFFFAOYSA-N 1 2 375.233 3.269 10 0 GGAELO CCOc1nnc(C[NH2+]C2(c3ccc(Br)cc3)CCOCC2)s1 ZINC000165675699 565370755 /nfs/dbraw/zinc/37/07/55/565370755.db2.gz ZGHYFPLIKKCADU-UHFFFAOYSA-N 1 2 398.326 3.495 10 0 GGAELO C[C@@H]1CC[C@@](CO)([N@H+](C)Cc2noc(Cc3ccc(Br)cc3)n2)C1 ZINC000188013021 565371199 /nfs/dbraw/zinc/37/11/99/565371199.db2.gz HJQZFHDBORGCIY-FZKQIMNGSA-N 1 2 394.313 3.406 10 0 GGAELO C[C@@H]1CC[C@@](CO)([N@@H+](C)Cc2noc(Cc3ccc(Br)cc3)n2)C1 ZINC000188013021 565371204 /nfs/dbraw/zinc/37/12/04/565371204.db2.gz HJQZFHDBORGCIY-FZKQIMNGSA-N 1 2 394.313 3.406 10 0 GGAELO C[N@@H+]1CC[C@H](NS(=O)(=O)CCC(F)(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000375190866 565373642 /nfs/dbraw/zinc/37/36/42/565373642.db2.gz CSBHQORWFOYTFJ-QWHCGFSZSA-N 1 2 388.814 3.096 10 0 GGAELO C[N@H+]1CC[C@H](NS(=O)(=O)CCC(F)(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000375190866 565373648 /nfs/dbraw/zinc/37/36/48/565373648.db2.gz CSBHQORWFOYTFJ-QWHCGFSZSA-N 1 2 388.814 3.096 10 0 GGAELO Fc1ccc(Br)c(C[NH2+]Cc2cccc(N3CCOCC3)n2)c1 ZINC000274773003 565380978 /nfs/dbraw/zinc/38/09/78/565380978.db2.gz IXAPQIDMZJWIOT-UHFFFAOYSA-N 1 2 380.261 3.110 10 0 GGAELO C[N@@H+]1CC[C@H](NS(=O)(=O)Cc2ccccc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000167923791 565381283 /nfs/dbraw/zinc/38/12/83/565381283.db2.gz OTIUNZSIQNMSRO-ROUUACIJSA-N 1 2 382.888 3.344 10 0 GGAELO C[N@H+]1CC[C@H](NS(=O)(=O)Cc2ccccc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000167923791 565381287 /nfs/dbraw/zinc/38/12/87/565381287.db2.gz OTIUNZSIQNMSRO-ROUUACIJSA-N 1 2 382.888 3.344 10 0 GGAELO Cc1cc(Br)cn2c(CN[C@@H](c3nc[nH]n3)c3ccccc3)c[nH+]c12 ZINC000375388482 565384255 /nfs/dbraw/zinc/38/42/55/565384255.db2.gz CNGBPHKSCVDVCO-MRXNPFEDSA-N 1 2 397.280 3.403 10 0 GGAELO Fc1ccc(C[NH2+]Cc2cccc(N3CCOCC3)n2)c(Br)c1 ZINC000274857979 565384437 /nfs/dbraw/zinc/38/44/37/565384437.db2.gz ZBKPCWTWFQVCOY-UHFFFAOYSA-N 1 2 380.261 3.110 10 0 GGAELO CCOc1cc(C[N@@H+]2CCC[C@@H](c3nnc(C)[nH]3)C2)cc(Br)c1O ZINC000297931579 565392888 /nfs/dbraw/zinc/39/28/88/565392888.db2.gz UPEPSFJSTGXNBR-CYBMUJFWSA-N 1 2 395.301 3.360 10 0 GGAELO CCOc1cc(C[N@H+]2CCC[C@@H](c3nnc(C)[nH]3)C2)cc(Br)c1O ZINC000297931579 565392892 /nfs/dbraw/zinc/39/28/92/565392892.db2.gz UPEPSFJSTGXNBR-CYBMUJFWSA-N 1 2 395.301 3.360 10 0 GGAELO CCOc1cc(C[N@@H+]2CCC[C@@H](c3nc(C)n[nH]3)C2)cc(Br)c1O ZINC000297931579 565392898 /nfs/dbraw/zinc/39/28/98/565392898.db2.gz UPEPSFJSTGXNBR-CYBMUJFWSA-N 1 2 395.301 3.360 10 0 GGAELO CCOc1cc(C[N@H+]2CCC[C@@H](c3nc(C)n[nH]3)C2)cc(Br)c1O ZINC000297931579 565392899 /nfs/dbraw/zinc/39/28/99/565392899.db2.gz UPEPSFJSTGXNBR-CYBMUJFWSA-N 1 2 395.301 3.360 10 0 GGAELO CCOc1cc(C[N@@H+]2CCC[C@@H](c3n[nH]c(C)n3)C2)cc(Br)c1O ZINC000297931579 565392902 /nfs/dbraw/zinc/39/29/02/565392902.db2.gz UPEPSFJSTGXNBR-CYBMUJFWSA-N 1 2 395.301 3.360 10 0 GGAELO CCOc1cc(C[N@H+]2CCC[C@@H](c3n[nH]c(C)n3)C2)cc(Br)c1O ZINC000297931579 565392906 /nfs/dbraw/zinc/39/29/06/565392906.db2.gz UPEPSFJSTGXNBR-CYBMUJFWSA-N 1 2 395.301 3.360 10 0 GGAELO C[C@@H](C(=O)Nc1ccccc1Br)[NH+]1CCC(c2ccncn2)CC1 ZINC000298045808 565397601 /nfs/dbraw/zinc/39/76/01/565397601.db2.gz DQYVMSUXQPEGBW-ZDUSSCGKSA-N 1 2 389.297 3.446 10 0 GGAELO Cc1nc(CN2CCC[N@H+](Cc3cn4cc(Cl)ccc4n3)CC2)cs1 ZINC000170942755 565399345 /nfs/dbraw/zinc/39/93/45/565399345.db2.gz LDMNBWDAKULBGV-UHFFFAOYSA-N 1 2 375.929 3.461 10 0 GGAELO Cc1nc(CN2CCC[N@@H+](Cc3cn4cc(Cl)ccc4n3)CC2)cs1 ZINC000170942755 565399348 /nfs/dbraw/zinc/39/93/48/565399348.db2.gz LDMNBWDAKULBGV-UHFFFAOYSA-N 1 2 375.929 3.461 10 0 GGAELO Cc1nc(C[N@@H+]2CCCN(Cc3cn4cc(Cl)ccc4n3)CC2)cs1 ZINC000170942755 565399354 /nfs/dbraw/zinc/39/93/54/565399354.db2.gz LDMNBWDAKULBGV-UHFFFAOYSA-N 1 2 375.929 3.461 10 0 GGAELO Cc1nc(C[N@H+]2CCCN(Cc3cn4cc(Cl)ccc4n3)CC2)cs1 ZINC000170942755 565399358 /nfs/dbraw/zinc/39/93/58/565399358.db2.gz LDMNBWDAKULBGV-UHFFFAOYSA-N 1 2 375.929 3.461 10 0 GGAELO Brc1ccc(-c2cnc(C[N@@H+]3CCO[C@]4(CCCOC4)C3)o2)cc1 ZINC000375688017 565401407 /nfs/dbraw/zinc/40/14/07/565401407.db2.gz HXXIOVILPABPMH-GOSISDBHSA-N 1 2 393.281 3.486 10 0 GGAELO Brc1ccc(-c2cnc(C[N@H+]3CCO[C@]4(CCCOC4)C3)o2)cc1 ZINC000375688017 565401412 /nfs/dbraw/zinc/40/14/12/565401412.db2.gz HXXIOVILPABPMH-GOSISDBHSA-N 1 2 393.281 3.486 10 0 GGAELO COc1ccc(Cl)cc1CC(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000171022821 565404666 /nfs/dbraw/zinc/40/46/66/565404666.db2.gz BCWUOBCCAKCURO-UHFFFAOYSA-N 1 2 379.913 3.082 10 0 GGAELO COc1ccc(Cl)cc1CC(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000171022821 565404670 /nfs/dbraw/zinc/40/46/70/565404670.db2.gz BCWUOBCCAKCURO-UHFFFAOYSA-N 1 2 379.913 3.082 10 0 GGAELO Brc1ccc(C[NH2+][C@@H]2CCCc3[nH]ncc32)c(N2CCOCC2)c1 ZINC000375791499 565406230 /nfs/dbraw/zinc/40/62/30/565406230.db2.gz OHXQHUMJVGJJMK-MRXNPFEDSA-N 1 2 391.313 3.176 10 0 GGAELO CCn1cc[nH+]c1CNC(=O)N(C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000298249865 565406391 /nfs/dbraw/zinc/40/63/91/565406391.db2.gz YMOFMETWVRMTQV-HOCLYGCPSA-N 1 2 383.279 3.010 10 0 GGAELO CCn1cc[nH+]c1CNC(=O)N(C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000298249869 565406559 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CC[N@@H+]1CCc2nc(NS(=O)(=O)c3ccc(F)cc3Cl)sc2C1 ZINC000171146862 565412647 /nfs/dbraw/zinc/41/26/47/565412647.db2.gz QVLWXYFTQJXGIO-UHFFFAOYSA-N 1 2 375.878 3.114 10 0 GGAELO CC[N@H+]1CCc2nc(NS(=O)(=O)c3ccc(F)cc3Cl)sc2C1 ZINC000171146862 565412650 /nfs/dbraw/zinc/41/26/50/565412650.db2.gz QVLWXYFTQJXGIO-UHFFFAOYSA-N 1 2 375.878 3.114 10 0 GGAELO O[C@H](C[NH+]1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)CC(F)(F)F ZINC000188606313 565413099 /nfs/dbraw/zinc/41/30/99/565413099.db2.gz MKBYJWAICSSXER-JTQLQIEISA-N 1 2 391.743 3.189 10 0 GGAELO CCn1cc[nH+]c1CNC(=O)N1CCc2c(F)ccc(Br)c2C1 ZINC000298476001 565415573 /nfs/dbraw/zinc/41/55/73/565415573.db2.gz PHLZLDIQPUNJPB-UHFFFAOYSA-N 1 2 381.249 3.073 10 0 GGAELO COCc1nc(C)c(C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)s1 ZINC000188757546 565422298 /nfs/dbraw/zinc/42/22/98/565422298.db2.gz GMEXIPMJNYWYHW-UHFFFAOYSA-N 1 2 379.913 3.039 10 0 GGAELO COCc1nc(C)c(C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)s1 ZINC000188757546 565422300 /nfs/dbraw/zinc/42/23/00/565422300.db2.gz 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565439728 /nfs/dbraw/zinc/43/97/28/565439728.db2.gz HQVWFPPECIGKJK-XDURRLNWSA-N 1 2 390.281 3.232 10 0 GGAELO COc1cc2c(cc1OC)CC[NH+]([C@@H](C)c1ncc(Br)cn1)CC2 ZINC000376559784 565442472 /nfs/dbraw/zinc/44/24/72/565442472.db2.gz ZGCBOAMXBAEJMG-LBPRGKRZSA-N 1 2 392.297 3.418 10 0 GGAELO CC(C)n1cc[nH+]c1CS(=O)(=O)Cc1noc(-c2ccc(Cl)cc2)n1 ZINC000171675354 565444193 /nfs/dbraw/zinc/44/41/93/565444193.db2.gz WFMQXFMZZJZWGU-UHFFFAOYSA-N 1 2 380.857 3.282 10 0 GGAELO CC(C)n1cc[nH+]c1CS(=O)(=O)CC(=O)Nc1cccc(Cl)c1Cl ZINC000171674853 565444355 /nfs/dbraw/zinc/44/43/55/565444355.db2.gz CTLVNUSJJTYNCM-UHFFFAOYSA-N 1 2 390.292 3.324 10 0 GGAELO CC(=O)Nc1ccc(NC(=O)C[N@@H+]2CCS[C@@H](C)C2)c(C(F)(F)F)c1 ZINC000171693889 565444498 /nfs/dbraw/zinc/44/44/98/565444498.db2.gz POANJCXDZSCTDF-JTQLQIEISA-N 1 2 375.416 3.040 10 0 GGAELO CC(=O)Nc1ccc(NC(=O)C[N@H+]2CCS[C@@H](C)C2)c(C(F)(F)F)c1 ZINC000171693889 565444505 /nfs/dbraw/zinc/44/45/05/565444505.db2.gz POANJCXDZSCTDF-JTQLQIEISA-N 1 2 375.416 3.040 10 0 GGAELO COc1ccc(Cl)cc1C[NH2+][C@H](C(N)=O)c1ccc(Br)cc1 ZINC000171758552 565449759 /nfs/dbraw/zinc/44/97/59/565449759.db2.gz PUKMIIZCLGJACU-HNNXBMFYSA-N 1 2 383.673 3.427 10 0 GGAELO O=C(NCc1cn2c([nH+]1)CCCC2)N1CCc2cc(Br)ccc2C1 ZINC000276529035 565452458 /nfs/dbraw/zinc/45/24/58/565452458.db2.gz FVSXIPJZUPQVAX-UHFFFAOYSA-N 1 2 389.297 3.250 10 0 GGAELO CCc1nnc(CN2CC[NH+]([C@@H](C)c3ccc(Br)cc3)CC2)n1C ZINC000171824031 565452898 /nfs/dbraw/zinc/45/28/98/565452898.db2.gz SSZUQKWJCCGRAN-AWEZNQCLSA-N 1 2 392.345 3.019 10 0 GGAELO C[C@]12CCN(C(=O)NC3CCN(c4cccc[nH+]4)CC3)C[C@H]1C2(Cl)Cl ZINC000376770304 565453989 /nfs/dbraw/zinc/45/39/89/565453989.db2.gz ANVRVUXBTZOEMW-PBHICJAKSA-N 1 2 383.323 3.276 10 0 GGAELO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)c1cc(Br)cc(Br)c1 ZINC000376802528 565455674 /nfs/dbraw/zinc/45/56/74/565455674.db2.gz BGQGYOQKAYQTSZ-NSHDSACASA-N 1 2 399.086 3.222 10 0 GGAELO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)c1cc(Br)cc(Br)c1 ZINC000376802528 565455679 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CO[C@H]1C[N@H+](CC(=O)Nc2ccc(Br)cc2Cl)CC[C@H]1C ZINC000189359781 565461331 /nfs/dbraw/zinc/46/13/31/565461331.db2.gz KWTHZPJDHCZHRK-YGRLFVJLSA-N 1 2 375.694 3.398 10 0 GGAELO CO[C@H]1C[N@@H+](CC(=O)Nc2ccc(Br)cc2Cl)CC[C@H]1C ZINC000189359781 565461335 /nfs/dbraw/zinc/46/13/35/565461335.db2.gz KWTHZPJDHCZHRK-YGRLFVJLSA-N 1 2 375.694 3.398 10 0 GGAELO C[C@@H]1CN(Cc2cc(Br)c(O)c(Br)c2)C[C@H]1[NH+](C)C ZINC000300438087 565461523 /nfs/dbraw/zinc/46/15/23/565461523.db2.gz QQMKKHNGXXCOSS-NOZJJQNGSA-N 1 2 392.135 3.299 10 0 GGAELO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc(Br)cc1C ZINC000171995173 565461723 /nfs/dbraw/zinc/46/17/23/565461723.db2.gz DABFNUIOLLTVMM-INIZCTEOSA-N 1 2 396.329 3.029 10 0 GGAELO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc(Br)cc1C ZINC000171995173 565461727 /nfs/dbraw/zinc/46/17/27/565461727.db2.gz DABFNUIOLLTVMM-INIZCTEOSA-N 1 2 396.329 3.029 10 0 GGAELO C[NH+](C)[C@H](CNC(=O)c1csc(C(F)(F)F)n1)c1c(F)cccc1F ZINC000189390106 565462388 /nfs/dbraw/zinc/46/23/88/565462388.db2.gz QYIVDIQDACTHMB-LLVKDONJSA-N 1 2 379.354 3.473 10 0 GGAELO Cc1ccc(-n2ncc(N3CC[NH+](C4CC4)CC3)c(Cl)c2=O)cc1Cl ZINC000301120417 565464672 /nfs/dbraw/zinc/46/46/72/565464672.db2.gz WDMGJJQYNXUTEL-UHFFFAOYSA-N 1 2 379.291 3.132 10 0 GGAELO Cc1cc(Br)cc(C[NH2+]Cc2cc(C(N)=O)co2)c1OC(F)F ZINC000189421674 565464771 /nfs/dbraw/zinc/46/47/71/565464771.db2.gz TZUHLGJZXYQDSR-UHFFFAOYSA-N 1 2 389.196 3.341 10 0 GGAELO C[C@@H]1C[N@@H+]([C@@H](CNC(=O)N2CCSCC[C@@H]2C)c2cccs2)CCO1 ZINC000189444602 565466124 /nfs/dbraw/zinc/46/61/24/565466124.db2.gz BCKREWRRQHJXOD-XHSDSOJGSA-N 1 2 383.583 3.047 10 0 GGAELO C[C@@H]1C[N@H+]([C@@H](CNC(=O)N2CCSCC[C@@H]2C)c2cccs2)CCO1 ZINC000189444602 565466130 /nfs/dbraw/zinc/46/61/30/565466130.db2.gz BCKREWRRQHJXOD-XHSDSOJGSA-N 1 2 383.583 3.047 10 0 GGAELO Clc1ccc(CN2CCN(c3cc(N4CCSCC4)[nH+]cn3)CC2)s1 ZINC000301329223 565479549 /nfs/dbraw/zinc/47/95/49/565479549.db2.gz CZKBOBJOOLUWAS-UHFFFAOYSA-N 1 2 395.985 3.067 10 0 GGAELO O=C(NCCc1cn2ccccc2[nH+]1)N1CCc2cccc(Br)c2C1 ZINC000172425900 565484692 /nfs/dbraw/zinc/48/46/92/565484692.db2.gz VYQRTMWPEXYFJN-UHFFFAOYSA-N 1 2 399.292 3.407 10 0 GGAELO CC[C@@H](Nc1[nH+]cnc2c1c(Br)nn2C)c1c(C)nn(C)c1C ZINC000301419909 565484815 /nfs/dbraw/zinc/48/48/15/565484815.db2.gz CGLBGNCCZXYZKA-SNVBAGLBSA-N 1 2 378.278 3.039 10 0 GGAELO Cc1nc([C@@H]2CCC[N@@H+]2CCCOc2ccc(S(C)(=O)=O)cc2)cs1 ZINC000189774749 565486871 /nfs/dbraw/zinc/48/68/71/565486871.db2.gz ZUMLIPWYFIEJGL-SFHVURJKSA-N 1 2 380.535 3.461 10 0 GGAELO Cc1nc([C@@H]2CCC[N@H+]2CCCOc2ccc(S(C)(=O)=O)cc2)cs1 ZINC000189774749 565486876 /nfs/dbraw/zinc/48/68/76/565486876.db2.gz ZUMLIPWYFIEJGL-SFHVURJKSA-N 1 2 380.535 3.461 10 0 GGAELO Cc1cc(=O)n2nc(C[NH2+][C@@H](C)c3ccccc3Br)sc2n1 ZINC000172461505 565487214 /nfs/dbraw/zinc/48/72/14/565487214.db2.gz HNQXWOXUNAGKML-JTQLQIEISA-N 1 2 379.283 3.073 10 0 GGAELO O[C@@H](CN1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1)CC(F)(F)F ZINC000189793902 565488464 /nfs/dbraw/zinc/48/84/64/565488464.db2.gz KQCPUHXUYZZNMU-CYBMUJFWSA-N 1 2 385.257 3.467 10 0 GGAELO C[C@H](N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)cc1)c1ncc(Br)cn1 ZINC000377680519 565493318 /nfs/dbraw/zinc/49/33/18/565493318.db2.gz VRTBYOWQLUQEJG-XZJROXQQSA-N 1 2 379.277 3.474 10 0 GGAELO C[C@H](N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)cc1)c1ncc(Br)cn1 ZINC000377680519 565493324 /nfs/dbraw/zinc/49/33/24/565493324.db2.gz VRTBYOWQLUQEJG-XZJROXQQSA-N 1 2 379.277 3.474 10 0 GGAELO O=S(=O)(c1c(Cl)cccc1C(F)(F)F)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000172658679 565496352 /nfs/dbraw/zinc/49/63/52/565496352.db2.gz PANJGABWRQFWNK-LLVKDONJSA-N 1 2 382.835 3.218 10 0 GGAELO O=S(=O)(c1c(Cl)cccc1C(F)(F)F)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000172658679 565496355 /nfs/dbraw/zinc/49/63/55/565496355.db2.gz PANJGABWRQFWNK-LLVKDONJSA-N 1 2 382.835 3.218 10 0 GGAELO Cc1cc(I)ccc1NC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000377762921 565497213 /nfs/dbraw/zinc/49/72/13/565497213.db2.gz OFFXWAMEDLALTP-LLVKDONJSA-N 1 2 396.232 3.002 10 0 GGAELO Cc1cc(I)ccc1NC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000377762921 565497215 /nfs/dbraw/zinc/49/72/15/565497215.db2.gz OFFXWAMEDLALTP-LLVKDONJSA-N 1 2 396.232 3.002 10 0 GGAELO CCOc1ccc(NC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)cc1Br ZINC000377808175 565499390 /nfs/dbraw/zinc/49/93/90/565499390.db2.gz XDJZRXWDDZSCGF-NSHDSACASA-N 1 2 379.258 3.250 10 0 GGAELO CCOc1ccc(NC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)cc1Br ZINC000377808175 565499395 /nfs/dbraw/zinc/49/93/95/565499395.db2.gz XDJZRXWDDZSCGF-NSHDSACASA-N 1 2 379.258 3.250 10 0 GGAELO C[C@H](Nc1[nH+]cnc2c1c(Br)nn2C)c1ccccc1-n1cccn1 ZINC000301657704 565501947 /nfs/dbraw/zinc/50/19/47/565501947.db2.gz SLBOWRQQQBXCBY-NSHDSACASA-N 1 2 398.268 3.485 10 0 GGAELO CC(C)c1nnc(N2CCN(Cc3cn4cc(Cl)ccc4[nH+]3)CC2)s1 ZINC000301711556 565507319 /nfs/dbraw/zinc/50/73/19/565507319.db2.gz DWAHGGSXULBWGZ-UHFFFAOYSA-N 1 2 376.917 3.285 10 0 GGAELO O=C(NCc1ccc(Br)c(F)c1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000378056582 565510469 /nfs/dbraw/zinc/51/04/69/565510469.db2.gz RIPNKHVGKNFPLK-UHFFFAOYSA-N 1 2 381.249 3.401 10 0 GGAELO O=C(NCc1ccc(Br)c(F)c1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000378056582 565510471 /nfs/dbraw/zinc/51/04/71/565510471.db2.gz RIPNKHVGKNFPLK-UHFFFAOYSA-N 1 2 381.249 3.401 10 0 GGAELO O=C(c1ccccc1I)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000378083155 565511405 /nfs/dbraw/zinc/51/14/05/565511405.db2.gz KAUBYALWRNPYHO-UHFFFAOYSA-N 1 2 381.217 3.034 10 0 GGAELO O=C(c1ccccc1I)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000378083155 565511408 /nfs/dbraw/zinc/51/14/08/565511408.db2.gz KAUBYALWRNPYHO-UHFFFAOYSA-N 1 2 381.217 3.034 10 0 GGAELO C[C@@H](Oc1cccc(Br)c1)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000378079605 565511509 /nfs/dbraw/zinc/51/15/09/565511509.db2.gz QZLAPAYXVNPNGA-GFCCVEGCSA-N 1 2 378.270 3.346 10 0 GGAELO C[C@@H](Oc1cccc(Br)c1)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000378079605 565511512 /nfs/dbraw/zinc/51/15/12/565511512.db2.gz QZLAPAYXVNPNGA-GFCCVEGCSA-N 1 2 378.270 3.346 10 0 GGAELO Cc1cccc(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c1I ZINC000378075683 565511584 /nfs/dbraw/zinc/51/15/84/565511584.db2.gz KSBBVRXOMKQCAI-UHFFFAOYSA-N 1 2 395.244 3.343 10 0 GGAELO Cc1cccc(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c1I ZINC000378075683 565511585 /nfs/dbraw/zinc/51/15/85/565511585.db2.gz KSBBVRXOMKQCAI-UHFFFAOYSA-N 1 2 395.244 3.343 10 0 GGAELO O=C(NCCOCc1ccc(Cl)cc1Cl)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000378077351 565511667 /nfs/dbraw/zinc/51/16/67/565511667.db2.gz UAYIUYLFODSSDH-ZDUSSCGKSA-N 1 2 383.279 3.090 10 0 GGAELO O=C(NCCOCc1ccc(Cl)cc1Cl)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000378077351 565511668 /nfs/dbraw/zinc/51/16/68/565511668.db2.gz UAYIUYLFODSSDH-ZDUSSCGKSA-N 1 2 383.279 3.090 10 0 GGAELO O=C(NCCc1cn2ccccc2[nH+]1)C1(c2ccccc2Br)CC1 ZINC000190153203 565512498 /nfs/dbraw/zinc/51/24/98/565512498.db2.gz GCNUVSQYSLCJJU-UHFFFAOYSA-N 1 2 384.277 3.487 10 0 GGAELO O=C(N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000378101983 565513189 /nfs/dbraw/zinc/51/31/89/565513189.db2.gz RHAJYUYIMZLBGM-ZIBATOQPSA-N 1 2 393.260 3.024 10 0 GGAELO O=C(N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000378101983 565513197 /nfs/dbraw/zinc/51/31/97/565513197.db2.gz RHAJYUYIMZLBGM-ZIBATOQPSA-N 1 2 393.260 3.024 10 0 GGAELO CCN(Cc1cccc(Br)c1)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000378102708 565513369 /nfs/dbraw/zinc/51/33/69/565513369.db2.gz SCSOVZAZXDRUNK-CQSZACIVSA-N 1 2 377.286 3.261 10 0 GGAELO CCN(Cc1cccc(Br)c1)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000378102708 565513375 /nfs/dbraw/zinc/51/33/75/565513375.db2.gz SCSOVZAZXDRUNK-CQSZACIVSA-N 1 2 377.286 3.261 10 0 GGAELO Cc1cc(N2C[C@H]3OCC[N@H+](Cc4ccccc4)[C@@H]3C2)ncc1Br ZINC000301847886 565514674 /nfs/dbraw/zinc/51/46/74/565514674.db2.gz VESHIZDQYLREMO-QZTJIDSGSA-N 1 2 388.309 3.242 10 0 GGAELO Cc1cc(N2C[C@H]3OCC[N@@H+](Cc4ccccc4)[C@@H]3C2)ncc1Br ZINC000301847886 565514679 /nfs/dbraw/zinc/51/46/79/565514679.db2.gz VESHIZDQYLREMO-QZTJIDSGSA-N 1 2 388.309 3.242 10 0 GGAELO Cc1cc(NCc2cc[nH+]c(N3CCO[C@@H](C)C3)c2)ncc1Br ZINC000301847101 565514712 /nfs/dbraw/zinc/51/47/12/565514712.db2.gz UROHKTBKRCBSIM-ZDUSSCGKSA-N 1 2 377.286 3.385 10 0 GGAELO COC(=O)c1sccc1NC(=O)C[N@@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000190199429 565514951 /nfs/dbraw/zinc/51/49/51/565514951.db2.gz SFOOKVAPXBNIMM-NSHDSACASA-N 1 2 378.416 3.384 10 0 GGAELO COC(=O)c1sccc1NC(=O)C[N@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000190199429 565514956 /nfs/dbraw/zinc/51/49/56/565514956.db2.gz SFOOKVAPXBNIMM-NSHDSACASA-N 1 2 378.416 3.384 10 0 GGAELO COCCN(Cc1sccc1Br)C(=O)[C@H]1CCCn2cc[nH+]c21 ZINC000190190002 565515056 /nfs/dbraw/zinc/51/50/56/565515056.db2.gz ZRLOBSYRKDQUGY-LBPRGKRZSA-N 1 2 398.326 3.260 10 0 GGAELO COCc1nsc(N2CC[NH+](CCc3ccc(Cl)c(Cl)c3)CC2)n1 ZINC000301880839 565515232 /nfs/dbraw/zinc/51/52/32/565515232.db2.gz JZESBVDHOXQXQH-UHFFFAOYSA-N 1 2 387.336 3.356 10 0 GGAELO COC(=O)c1sccc1NC(=O)C[N@@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000190199451 565515328 /nfs/dbraw/zinc/51/53/28/565515328.db2.gz SFOOKVAPXBNIMM-LLVKDONJSA-N 1 2 378.416 3.384 10 0 GGAELO COC(=O)c1sccc1NC(=O)C[N@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000190199451 565515332 /nfs/dbraw/zinc/51/53/32/565515332.db2.gz SFOOKVAPXBNIMM-LLVKDONJSA-N 1 2 378.416 3.384 10 0 GGAELO CC[C@H](Cc1cccc(Br)c1)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000378200157 565515754 /nfs/dbraw/zinc/51/57/54/565515754.db2.gz JZDCQNSYEHSUGD-HIFRSBDPSA-N 1 2 376.298 3.415 10 0 GGAELO CC[C@H](Cc1cccc(Br)c1)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000378200157 565515761 /nfs/dbraw/zinc/51/57/61/565515761.db2.gz JZDCQNSYEHSUGD-HIFRSBDPSA-N 1 2 376.298 3.415 10 0 GGAELO O=C1[C@H]([N@@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)CCN1c1cccc(Cl)c1 ZINC000277729624 565516814 /nfs/dbraw/zinc/51/68/14/565516814.db2.gz JYALJTRZWMNGPE-DFBGVHRSSA-N 1 2 376.806 3.081 10 0 GGAELO O=C1[C@H]([N@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)CCN1c1cccc(Cl)c1 ZINC000277729624 565516818 /nfs/dbraw/zinc/51/68/18/565516818.db2.gz JYALJTRZWMNGPE-DFBGVHRSSA-N 1 2 376.806 3.081 10 0 GGAELO CC(C)(C)c1ccc(S(=O)(=O)NCc2ccnc(-n3cc[nH+]c3)c2)s1 ZINC000378253788 565517696 /nfs/dbraw/zinc/51/76/96/565517696.db2.gz OMJBJNZFFRRGBC-UHFFFAOYSA-N 1 2 376.507 3.105 10 0 GGAELO O=c1[nH]ncc(N2CC[NH+](CCc3ccc(Cl)c(Cl)c3)CC2)c1Cl ZINC000301907716 565518115 /nfs/dbraw/zinc/51/81/15/565518115.db2.gz ZVCNKKIMNIIBNG-UHFFFAOYSA-N 1 2 387.698 3.095 10 0 GGAELO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)/C=C/c2cc(Br)ccc2F)C1 ZINC000378262199 565519225 /nfs/dbraw/zinc/51/92/25/565519225.db2.gz DBFPTQRPUHKRJS-ADQTWTKMSA-N 1 2 378.245 3.351 10 0 GGAELO CC[C@@H](Cc1ccccc1Br)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000378310067 565521244 /nfs/dbraw/zinc/52/12/44/565521244.db2.gz NZDHCKOLPYZBGF-GXTWGEPZSA-N 1 2 376.298 3.415 10 0 GGAELO CC[C@@H](Cc1ccccc1Br)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000378310067 565521248 /nfs/dbraw/zinc/52/12/48/565521248.db2.gz NZDHCKOLPYZBGF-GXTWGEPZSA-N 1 2 376.298 3.415 10 0 GGAELO CC(C)Oc1cc(Br)cc(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000378315895 565521606 /nfs/dbraw/zinc/52/16/06/565521606.db2.gz WYVJGHWXHGIDRH-ZDUSSCGKSA-N 1 2 378.270 3.247 10 0 GGAELO CC(C)Oc1cc(Br)cc(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000378315895 565521609 /nfs/dbraw/zinc/52/16/09/565521609.db2.gz WYVJGHWXHGIDRH-ZDUSSCGKSA-N 1 2 378.270 3.247 10 0 GGAELO Cc1nc2c(s1)[C@@H](Nc1[nH+]cnc3c1c(Br)nn3C)CCC2 ZINC000302014006 565525344 /nfs/dbraw/zinc/52/53/44/565525344.db2.gz DULNDAOWUNYLCX-VIFPVBQESA-N 1 2 379.287 3.380 10 0 GGAELO Cc1cc(C[NH+]2CCN(c3nnc(-c4ccccc4Cl)s3)CC2)on1 ZINC000302130750 565531326 /nfs/dbraw/zinc/53/13/26/565531326.db2.gz YDCXLHSFZLZOBD-UHFFFAOYSA-N 1 2 375.885 3.477 10 0 GGAELO C[C@H]1C[NH+]=C(N2CCN(c3nnc(-c4ccccc4Cl)s3)CC2)S1 ZINC000302124228 565531870 /nfs/dbraw/zinc/53/18/70/565531870.db2.gz VPVJAZWJHMRRLN-NSHDSACASA-N 1 2 379.942 3.472 10 0 GGAELO COc1cc(Br)ccc1C[NH2+][C@@H]1CS(=O)(=O)c2ccccc21 ZINC000378621139 565535891 /nfs/dbraw/zinc/53/58/91/565535891.db2.gz YDQWXRHIWZOKFO-CQSZACIVSA-N 1 2 382.279 3.076 10 0 GGAELO CCOc1c(Br)cc(CN2CCn3cc(C)[nH+]c3C2)cc1OC ZINC000378633045 565537197 /nfs/dbraw/zinc/53/71/97/565537197.db2.gz LRWPVFVQULSAOE-UHFFFAOYSA-N 1 2 380.286 3.377 10 0 GGAELO CSc1cncc(N2CC[NH+](Cc3ccc(Br)cc3)CC2)n1 ZINC000302263184 565538768 /nfs/dbraw/zinc/53/87/68/565538768.db2.gz QFGOIUSSPCFLCC-UHFFFAOYSA-N 1 2 379.327 3.283 10 0 GGAELO Cc1ccc(Br)cc1CNc1cc(N2CCC[C@H]2CO)nc[nH+]1 ZINC000302562914 565546423 /nfs/dbraw/zinc/54/64/23/565546423.db2.gz NOVYUUYDBZDJCP-HNNXBMFYSA-N 1 2 377.286 3.121 10 0 GGAELO Cc1ccc(Br)cc1CNc1cc(N2CCC[C@H]2CO)[nH+]cn1 ZINC000302562914 565546426 /nfs/dbraw/zinc/54/64/26/565546426.db2.gz NOVYUUYDBZDJCP-HNNXBMFYSA-N 1 2 377.286 3.121 10 0 GGAELO CC(C)n1cc(Br)cc1C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000173323903 565548286 /nfs/dbraw/zinc/54/82/86/565548286.db2.gz RCPFBMKCLKDCEN-UHFFFAOYSA-N 1 2 388.269 3.342 10 0 GGAELO CC[C@H](C)NC(=O)c1cccc(C[NH2+]Cc2c(Br)cnn2C)c1 ZINC000278285210 565549436 /nfs/dbraw/zinc/54/94/36/565549436.db2.gz BGTFLTHXLBEVQS-LBPRGKRZSA-N 1 2 379.302 3.001 10 0 GGAELO CC[C@@H](C)NC(=O)c1cccc(C[NH2+]Cc2c(Br)cnn2C)c1 ZINC000278285207 565549575 /nfs/dbraw/zinc/54/95/75/565549575.db2.gz BGTFLTHXLBEVQS-GFCCVEGCSA-N 1 2 379.302 3.001 10 0 GGAELO COc1ccc(Br)cc1C[NH2+]Cc1c(Br)cnn1C ZINC000278330032 565551567 /nfs/dbraw/zinc/55/15/67/565551567.db2.gz FTQPOLBSWMFQBM-UHFFFAOYSA-N 1 2 389.091 3.244 10 0 GGAELO C[C@H]1CN(C(=O)c2[nH]c3ccc(Cl)cc3c2Cl)C[C@@H]1[NH+]1CCOCC1 ZINC000173396929 565554990 /nfs/dbraw/zinc/55/49/90/565554990.db2.gz QXXBSZYFYFMNEB-NHYWBVRUSA-N 1 2 382.291 3.267 10 0 GGAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2cc(Cl)ccc2Cl)nc[nH+]1 ZINC000173413538 565556284 /nfs/dbraw/zinc/55/62/84/565556284.db2.gz NMXWYSGICPRNHR-LBPRGKRZSA-N 1 2 380.279 3.224 10 0 GGAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2cc(Cl)ccc2Cl)[nH+]cn1 ZINC000173413538 565556288 /nfs/dbraw/zinc/55/62/88/565556288.db2.gz NMXWYSGICPRNHR-LBPRGKRZSA-N 1 2 380.279 3.224 10 0 GGAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2cccc(Cl)c2Cl)nc[nH+]1 ZINC000173438347 565557214 /nfs/dbraw/zinc/55/72/14/565557214.db2.gz XJYBBFQQEVCQPX-NSHDSACASA-N 1 2 380.279 3.224 10 0 GGAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2cccc(Cl)c2Cl)[nH+]cn1 ZINC000173438347 565557215 /nfs/dbraw/zinc/55/72/15/565557215.db2.gz XJYBBFQQEVCQPX-NSHDSACASA-N 1 2 380.279 3.224 10 0 GGAELO C[C@@H]1COCC[C@H]1NC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000278431453 565558968 /nfs/dbraw/zinc/55/89/68/565558968.db2.gz GXIHOZBILYFQMV-XYPHTWIQSA-N 1 2 381.314 3.127 10 0 GGAELO C[C@@H](CCc1ccc(Br)cc1)Nc1nc2c(cnn2C)c(N)[nH+]1 ZINC000302818806 565559225 /nfs/dbraw/zinc/55/92/25/565559225.db2.gz CLHSRMZDUYKSJC-JTQLQIEISA-N 1 2 375.274 3.141 10 0 GGAELO COc1c(Br)c(C)sc1C(=O)NCc1ccc[nH+]c1N(C)C ZINC000173482790 565560692 /nfs/dbraw/zinc/56/06/92/565560692.db2.gz YGLQLEJVKHSLPI-UHFFFAOYSA-N 1 2 384.299 3.219 10 0 GGAELO Nc1ncnc(N2CC[NH+](CCc3ccc(Cl)c(Cl)c3)CC2)c1Cl ZINC000302866986 565561576 /nfs/dbraw/zinc/56/15/76/565561576.db2.gz ZASMQTNIPDDUNX-UHFFFAOYSA-N 1 2 386.714 3.384 10 0 GGAELO Cn1ncc2c1nc(NCCc1cc(Cl)ccc1Br)[nH+]c2N ZINC000302878385 565561894 /nfs/dbraw/zinc/56/18/94/565561894.db2.gz HCSJURZFFFFCLA-UHFFFAOYSA-N 1 2 381.665 3.016 10 0 GGAELO Brc1ccc([C@@H]2C[C@@H]2Nc2cc(N3CCOCC3)nc[nH+]2)cc1 ZINC000302879817 565561907 /nfs/dbraw/zinc/56/19/07/565561907.db2.gz HDKJWHACVBNIQZ-GJZGRUSLSA-N 1 2 375.270 3.044 10 0 GGAELO Brc1ccc([C@@H]2C[C@@H]2Nc2cc(N3CCOCC3)[nH+]cn2)cc1 ZINC000302879817 565561911 /nfs/dbraw/zinc/56/19/11/565561911.db2.gz HDKJWHACVBNIQZ-GJZGRUSLSA-N 1 2 375.270 3.044 10 0 GGAELO O=C(NC1CCN(c2cccc[nH+]2)CC1)c1ccc(F)c(Br)c1 ZINC000173505021 565562175 /nfs/dbraw/zinc/56/21/75/565562175.db2.gz MTVRJWPIGKTYLR-UHFFFAOYSA-N 1 2 378.245 3.382 10 0 GGAELO Clc1ccc([C@@H]2CN(c3cc(N4CCSCC4)[nH+]cn3)CCO2)cc1 ZINC000302915970 565562902 /nfs/dbraw/zinc/56/29/02/565562902.db2.gz VZFIWEXJIHETAW-INIZCTEOSA-N 1 2 376.913 3.261 10 0 GGAELO Clc1ccc([C@@H]2CN(c3cc(N4CCSCC4)nc[nH+]3)CCO2)cc1 ZINC000302915970 565562905 /nfs/dbraw/zinc/56/29/05/565562905.db2.gz VZFIWEXJIHETAW-INIZCTEOSA-N 1 2 376.913 3.261 10 0 GGAELO C[C@H](CNc1nc2c(cnn2C)c(N)[nH+]1)Sc1ccc(Br)cc1 ZINC000302885620 565563169 /nfs/dbraw/zinc/56/31/69/565563169.db2.gz MNPIEFBCORTSEZ-SECBINFHSA-N 1 2 393.314 3.301 10 0 GGAELO Cn1ncc2c1nc(NCC(C)(C)c1cccc(Br)c1)[nH+]c2N ZINC000302909272 565563569 /nfs/dbraw/zinc/56/35/69/565563569.db2.gz YOEPIBBIWIKBEF-UHFFFAOYSA-N 1 2 375.274 3.098 10 0 GGAELO Cc1nc(N2CCN(C(=O)Nc3cc(Cl)c(N)c(Cl)c3)CC2)cc[nH+]1 ZINC000190849665 565564336 /nfs/dbraw/zinc/56/43/36/565564336.db2.gz OIBDZBAJTIFLJY-UHFFFAOYSA-N 1 2 381.267 3.028 10 0 GGAELO O=C(NC1CCN(c2cccc[nH+]2)CC1)c1cc(Br)cnc1Cl ZINC000302941828 565564308 /nfs/dbraw/zinc/56/43/08/565564308.db2.gz AWDJHSRYBARMAK-UHFFFAOYSA-N 1 2 395.688 3.291 10 0 GGAELO CN(CCc1nccs1)C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000190886659 565568174 /nfs/dbraw/zinc/56/81/74/565568174.db2.gz YRAOFKPGQLAXID-UHFFFAOYSA-N 1 2 378.929 3.039 10 0 GGAELO CN(CCc1nccs1)C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000190886659 565568178 /nfs/dbraw/zinc/56/81/78/565568178.db2.gz YRAOFKPGQLAXID-UHFFFAOYSA-N 1 2 378.929 3.039 10 0 GGAELO COc1cc(C[NH2+]Cc2nn(C)cc2Br)c(SC)cc1OC ZINC000393326843 565568509 /nfs/dbraw/zinc/56/85/09/565568509.db2.gz SLIJQSJQFKGQBA-UHFFFAOYSA-N 1 2 386.315 3.212 10 0 GGAELO COc1cccc(C[NH2+]Cc2nn(C)cc2Br)c1OC(F)F ZINC000393323614 565568849 /nfs/dbraw/zinc/56/88/49/565568849.db2.gz IHRFMSZZKBTZQN-UHFFFAOYSA-N 1 2 376.201 3.082 10 0 GGAELO Ic1ccc(C[NH+]2CCC(Nc3cccnn3)CC2)cc1 ZINC000173672228 565575782 /nfs/dbraw/zinc/57/57/82/565575782.db2.gz UVWPOHQUSSNTBI-UHFFFAOYSA-N 1 2 394.260 3.158 10 0 GGAELO C[C@@H]([NH2+]Cc1ncc(C(F)(F)F)s1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000278778461 565577452 /nfs/dbraw/zinc/57/74/52/565577452.db2.gz YXDBDGPXUPXRCP-SNVBAGLBSA-N 1 2 393.456 3.263 10 0 GGAELO CS(=O)(=O)c1cccnc1C[NH2+]Cc1ccc(OC(F)F)c(Cl)c1 ZINC000278875920 565582672 /nfs/dbraw/zinc/58/26/72/565582672.db2.gz YZGHNEVNIOREFB-UHFFFAOYSA-N 1 2 376.812 3.030 10 0 GGAELO CC1(C)COC[C@H]1[NH2+]Cc1cc(Br)c(O)c(Br)c1 ZINC000313023383 565582990 /nfs/dbraw/zinc/58/29/90/565582990.db2.gz OGFWWYCEONVNCI-LLVKDONJSA-N 1 2 379.092 3.432 10 0 GGAELO C[C@H](NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)c1cc(F)c(Cl)cc1Cl ZINC000173766359 565583777 /nfs/dbraw/zinc/58/37/77/565583777.db2.gz MIADWAIVYDDDCA-RYUDHWBXSA-N 1 2 390.286 3.310 10 0 GGAELO Cc1cc(Br)cc(C)c1NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173800969 565587640 /nfs/dbraw/zinc/58/76/40/565587640.db2.gz BYVZAFLMXWEKPM-HNNXBMFYSA-N 1 2 382.302 3.004 10 0 GGAELO O=C(c1cc(-c2ccc(Br)cc2)[nH]n1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000408023572 565591078 /nfs/dbraw/zinc/59/10/78/565591078.db2.gz UCPFCKFWWNBUGF-HNNXBMFYSA-N 1 2 389.297 3.150 10 0 GGAELO O=C(c1cc(-c2ccc(Br)cc2)[nH]n1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000408023572 565591083 /nfs/dbraw/zinc/59/10/83/565591083.db2.gz UCPFCKFWWNBUGF-HNNXBMFYSA-N 1 2 389.297 3.150 10 0 GGAELO Cn1c2c([nH+]c1[C@@H]1CCCN1S(=O)(=O)c1cccc(Cl)c1)CCCC2 ZINC000408027893 565592214 /nfs/dbraw/zinc/59/22/14/565592214.db2.gz PMWHJHLZLGJXKG-KRWDZBQOSA-N 1 2 379.913 3.478 10 0 GGAELO C[C@@H]([NH2+][C@H](C(N)=O)c1ccc(Br)cc1F)c1ccc2c(c1)OCO2 ZINC000173858946 565594517 /nfs/dbraw/zinc/59/45/17/565594517.db2.gz PGMROMVUOVXSAY-ABKXIKBNSA-N 1 2 395.228 3.194 10 0 GGAELO C[C@@H]([NH2+][C@@H](C(N)=O)c1ccc(Br)cc1F)c1ccc2c(c1)OCO2 ZINC000173858971 565594832 /nfs/dbraw/zinc/59/48/32/565594832.db2.gz PGMROMVUOVXSAY-JDNHERCYSA-N 1 2 395.228 3.194 10 0 GGAELO C[C@H]([NH2+][C@H](C(N)=O)c1ccc(Br)cc1F)c1ccc2c(c1)OCO2 ZINC000173858934 565594861 /nfs/dbraw/zinc/59/48/61/565594861.db2.gz PGMROMVUOVXSAY-FVMDXXJSSA-N 1 2 395.228 3.194 10 0 GGAELO O=C(Nc1ccc(C(F)(F)F)cc1Cl)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173902625 565597768 /nfs/dbraw/zinc/59/77/68/565597768.db2.gz BLYFXQCKHQQSCH-GFCCVEGCSA-N 1 2 377.794 3.297 10 0 GGAELO CC(C)Cn1cc[nH+]c1CNC(=O)[C@H](C)Oc1cccc(Br)c1 ZINC000173908189 565598570 /nfs/dbraw/zinc/59/85/70/565598570.db2.gz JFJYGLXWZBEKAR-ZDUSSCGKSA-N 1 2 380.286 3.385 10 0 GGAELO CC(C)n1cc[nH+]c1CS(=O)(=O)Cc1nnc(-c2ccccc2Cl)o1 ZINC000173940806 565600452 /nfs/dbraw/zinc/60/04/52/565600452.db2.gz UVKAMGLABHVNMG-UHFFFAOYSA-N 1 2 380.857 3.282 10 0 GGAELO O[C@@H]1CCCC[C@H]1[C@H]1COCC[N@@H+]1Cc1nc2ccc(Br)cc2o1 ZINC000408242877 565600539 /nfs/dbraw/zinc/60/05/39/565600539.db2.gz ZGHPUGRRHFAARU-NUEKZKHPSA-N 1 2 395.297 3.342 10 0 GGAELO O[C@@H]1CCCC[C@H]1[C@H]1COCC[N@H+]1Cc1nc2ccc(Br)cc2o1 ZINC000408242877 565600544 /nfs/dbraw/zinc/60/05/44/565600544.db2.gz ZGHPUGRRHFAARU-NUEKZKHPSA-N 1 2 395.297 3.342 10 0 GGAELO Cc1c(Br)cccc1S(=O)(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000408270448 565601617 /nfs/dbraw/zinc/60/16/17/565601617.db2.gz IFKPLBKUTGIYDO-IUODEOHRSA-N 1 2 398.326 3.226 10 0 GGAELO Cc1ccc(S(=O)(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1Br ZINC000408269500 565601756 /nfs/dbraw/zinc/60/17/56/565601756.db2.gz CKRDQNQWOYTWRF-BBRMVZONSA-N 1 2 398.326 3.226 10 0 GGAELO Cc1ccc(S(=O)(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1Br ZINC000408269507 565602218 /nfs/dbraw/zinc/60/22/18/565602218.db2.gz CKRDQNQWOYTWRF-XJKSGUPXSA-N 1 2 398.326 3.226 10 0 GGAELO O=S(=O)(Cc1[nH+]ccn1Cc1ccccc1)c1ncccc1Br ZINC000174067318 565610181 /nfs/dbraw/zinc/61/01/81/565610181.db2.gz SQPFQVCHMFNSIS-UHFFFAOYSA-N 1 2 392.278 3.063 10 0 GGAELO O=C(C[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O)Nc1ccccc1Br ZINC000322516574 565610196 /nfs/dbraw/zinc/61/01/96/565610196.db2.gz RIYBCMMOJGEARQ-XKQJLSEDSA-N 1 2 381.314 3.403 10 0 GGAELO O=C(C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O)Nc1ccccc1Br ZINC000322516574 565610200 /nfs/dbraw/zinc/61/02/00/565610200.db2.gz RIYBCMMOJGEARQ-XKQJLSEDSA-N 1 2 381.314 3.403 10 0 GGAELO Cc1nc(C(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)c(Br)s1 ZINC000408465942 565611130 /nfs/dbraw/zinc/61/11/30/565611130.db2.gz KFTRNHWKYRCPFB-UHFFFAOYSA-N 1 2 383.315 3.269 10 0 GGAELO CCOC(=O)c1csc(C2CC[NH+](Cc3c(C)nn(C)c3Cl)CC2)n1 ZINC000191563385 565613342 /nfs/dbraw/zinc/61/33/42/565613342.db2.gz KEGBWVYPNLOZPX-UHFFFAOYSA-N 1 2 382.917 3.395 10 0 GGAELO Brc1ccc(C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)c(N2CCOCC2)c1 ZINC000191615552 565617243 /nfs/dbraw/zinc/61/72/43/565617243.db2.gz CGLIHRLTRZCADQ-HKUYNNGSSA-N 1 2 395.341 3.429 10 0 GGAELO Brc1ccc(C[N@H+]2CCO[C@H]3CCCC[C@@H]32)c(N2CCOCC2)c1 ZINC000191615552 565617248 /nfs/dbraw/zinc/61/72/48/565617248.db2.gz CGLIHRLTRZCADQ-HKUYNNGSSA-N 1 2 395.341 3.429 10 0 GGAELO COc1cc(C[NH2+][C@H](C)c2nnc3n2CCCCC3)cc(Br)c1O ZINC000324446407 565618301 /nfs/dbraw/zinc/61/83/01/565618301.db2.gz GBEVTEMYJBCHLB-LLVKDONJSA-N 1 2 395.301 3.332 10 0 GGAELO CO[C@@H]1CC[C@@H](NC(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000191624890 565618528 /nfs/dbraw/zinc/61/85/28/565618528.db2.gz BCSGNBDCDMONNP-BRWVUGGUSA-N 1 2 381.314 3.270 10 0 GGAELO COc1cccc(F)c1[C@@H](C)[NH2+][C@H](C(N)=O)c1ccc(Br)cc1 ZINC000174221075 565621077 /nfs/dbraw/zinc/62/10/77/565621077.db2.gz ZRNXGAXPTGZSMZ-HWPZZCPQSA-N 1 2 381.245 3.474 10 0 GGAELO CC(=O)NCCN(Cc1ccc(Br)s1)c1cc[nH+]c(C2CC2)n1 ZINC000409517224 565621492 /nfs/dbraw/zinc/62/14/92/565621492.db2.gz JARGANRJIWZAKT-UHFFFAOYSA-N 1 2 395.326 3.321 10 0 GGAELO C[C@@H](NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)c1ccc(Br)cn1 ZINC000279596339 565621871 /nfs/dbraw/zinc/62/18/71/565621871.db2.gz DCTCTOXVUQTQNC-LLVKDONJSA-N 1 2 378.274 3.217 10 0 GGAELO O=C(Nc1cccc(Cl)c1Br)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000191730355 565626285 /nfs/dbraw/zinc/62/62/85/565626285.db2.gz XNAZFPQEMIYGSU-NSHDSACASA-N 1 2 388.693 3.041 10 0 GGAELO O=C(C[N@H+]1CCC[C@H]1c1ccc(I)cc1)N1CCCC1 ZINC000174428314 565634610 /nfs/dbraw/zinc/63/46/10/565634610.db2.gz ZCSDXSHULBPBLZ-HNNXBMFYSA-N 1 2 384.261 3.051 10 0 GGAELO O=C(C[N@@H+]1CCC[C@H]1c1ccc(I)cc1)N1CCCC1 ZINC000174428314 565634616 /nfs/dbraw/zinc/63/46/16/565634616.db2.gz ZCSDXSHULBPBLZ-HNNXBMFYSA-N 1 2 384.261 3.051 10 0 GGAELO O=S(=O)(NC[C@H]1CCn2cc[nH+]c2C1)c1c(Cl)cccc1C(F)(F)F ZINC000328625907 565635275 /nfs/dbraw/zinc/63/52/75/565635275.db2.gz LCIXMANDCYXCGC-JTQLQIEISA-N 1 2 393.818 3.096 10 0 GGAELO O=S(=O)(NC[C@H]1CCn2cc[nH+]c2C1)c1ccc(Cl)cc1C(F)(F)F ZINC000328645921 565637121 /nfs/dbraw/zinc/63/71/21/565637121.db2.gz ZUNSHYLRNWALIU-JTQLQIEISA-N 1 2 393.818 3.096 10 0 GGAELO 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565767464 /nfs/dbraw/zinc/76/74/64/565767464.db2.gz STORISCPNCSXGV-CYBMUJFWSA-N 1 2 392.278 3.132 10 0 GGAELO COC(=O)[C@@H]1CSCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000412080169 565769761 /nfs/dbraw/zinc/76/97/61/565769761.db2.gz PMJPVZSBBKQISI-QWRGUYRKSA-N 1 2 391.320 3.158 10 0 GGAELO COC(=O)[C@@H]1CSCC[N@H+]([C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000412080169 565769762 /nfs/dbraw/zinc/76/97/62/565769762.db2.gz PMJPVZSBBKQISI-QWRGUYRKSA-N 1 2 391.320 3.158 10 0 GGAELO COC(=O)[C@@H]1CSCC[N@H+](Cc2csc(COc3ccccc3)n2)C1 ZINC000412079450 565769882 /nfs/dbraw/zinc/76/98/82/565769882.db2.gz PBGHQFUQTISJQS-AWEZNQCLSA-N 1 2 378.519 3.060 10 0 GGAELO COC(=O)[C@@H]1CSCC[N@@H+](Cc2csc(COc3ccccc3)n2)C1 ZINC000412079450 565769884 /nfs/dbraw/zinc/76/98/84/565769884.db2.gz PBGHQFUQTISJQS-AWEZNQCLSA-N 1 2 378.519 3.060 10 0 GGAELO COC(=O)[C@@H]1CSCC[N@@H+]([C@H](C)c2nnc(-c3ccccc3F)s2)C1 ZINC000412065353 565769912 /nfs/dbraw/zinc/76/99/12/565769912.db2.gz DVZHPWNHLQPPAG-NEPJUHHUSA-N 1 2 381.498 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O=C(C[NH+]1CCN(CCc2cc(Cl)cc(Cl)c2)CC1)N1CCCCC1 ZINC000194380568 565811169 /nfs/dbraw/zinc/81/11/69/565811169.db2.gz LETZHXYANIOWCC-UHFFFAOYSA-N 1 2 384.351 3.166 10 0 GGAELO Cc1cc(NC(=O)C[S@@](=O)Cc2[nH+]ccn2C(C)C)ccc1Br ZINC000176882108 565811463 /nfs/dbraw/zinc/81/14/63/565811463.db2.gz NLELMOREECLKBK-QHCPKHFHSA-N 1 2 398.326 3.422 10 0 GGAELO Cc1ccc(S(=O)(=O)N2CCC3(C[C@H]3[N@H+](C)Cc3nccs3)CC2)s1 ZINC000283189940 565811918 /nfs/dbraw/zinc/81/19/18/565811918.db2.gz MLHSFXMGOBHGLU-CQSZACIVSA-N 1 2 397.591 3.188 10 0 GGAELO Cc1ccc(S(=O)(=O)N2CCC3(C[C@H]3[N@@H+](C)Cc3nccs3)CC2)s1 ZINC000283189940 565811923 /nfs/dbraw/zinc/81/19/23/565811923.db2.gz MLHSFXMGOBHGLU-CQSZACIVSA-N 1 2 397.591 3.188 10 0 GGAELO O=C(CN1CCC[N@@H+](CCc2cc(Cl)cc(Cl)c2)CC1)N1CCCC1 ZINC000194415687 565814229 /nfs/dbraw/zinc/81/42/29/565814229.db2.gz FAXUBQHLVIRLNA-UHFFFAOYSA-N 1 2 384.351 3.166 10 0 GGAELO O=C(CN1CCC[N@H+](CCc2cc(Cl)cc(Cl)c2)CC1)N1CCCC1 ZINC000194415687 565814235 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C[C@@H](O)[C@@H]1CCN(c2cc(NCc3cc(F)cc(Br)c3)nc[nH+]2)C1 ZINC000413075074 565832837 /nfs/dbraw/zinc/83/28/37/565832837.db2.gz TUJUIANROOGLAK-DGCLKSJQSA-N 1 2 395.276 3.197 10 0 GGAELO C[C@@H](O)[C@H]1CCN(c2cc(NCc3cc(F)cc(Br)c3)[nH+]cn2)C1 ZINC000413075078 565833569 /nfs/dbraw/zinc/83/35/69/565833569.db2.gz TUJUIANROOGLAK-YPMHNXCESA-N 1 2 395.276 3.197 10 0 GGAELO C[C@@H](O)[C@H]1CCN(c2cc(NCc3cc(F)cc(Br)c3)nc[nH+]2)C1 ZINC000413075078 565833573 /nfs/dbraw/zinc/83/35/73/565833573.db2.gz TUJUIANROOGLAK-YPMHNXCESA-N 1 2 395.276 3.197 10 0 GGAELO C[C@H](O)[C@@H]1CCN(c2cc(NCCc3ccccc3Br)[nH+]cn2)C1 ZINC000413095513 565834921 /nfs/dbraw/zinc/83/49/21/565834921.db2.gz SHKCOTNLKXPWEY-DZGCQCFKSA-N 1 2 391.313 3.101 10 0 GGAELO C[C@H](O)[C@@H]1CCN(c2cc(NCCc3ccccc3Br)nc[nH+]2)C1 ZINC000413095513 565834926 /nfs/dbraw/zinc/83/49/26/565834926.db2.gz SHKCOTNLKXPWEY-DZGCQCFKSA-N 1 2 391.313 3.101 10 0 GGAELO Cn1cc(N2CCC[C@@H](Nc3[nH+]ccc4cc(Br)ccc43)C2)cn1 ZINC000413162463 565837830 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C[C@H](CNC(=O)[C@H]1CCCn2cc[nH+]c21)Oc1ccccc1Br ZINC000177271260 565841186 /nfs/dbraw/zinc/84/11/86/565841186.db2.gz GHLUTZDVWSWAQW-OLZOCXBDSA-N 1 2 378.270 3.107 10 0 GGAELO CC(=O)N1C[C@@H]2CCC[C@H](Nc3[nH+]ccc4cc(Br)ccc43)[C@H]2C1 ZINC000413297638 565844115 /nfs/dbraw/zinc/84/41/15/565844115.db2.gz JLKZQSMGFAIINS-WBAXXEDZSA-N 1 2 388.309 3.478 10 0 GGAELO CC(=O)N1C[C@@H]2CCC[C@@H](Nc3[nH+]ccc4cc(Br)ccc43)[C@@H]2C1 ZINC000413297633 565844274 /nfs/dbraw/zinc/84/42/74/565844274.db2.gz JLKZQSMGFAIINS-BMGDILEWSA-N 1 2 388.309 3.478 10 0 GGAELO CS(=O)(=O)c1cccc(Cl)c1C[NH2+]Cc1ccnc(OC(F)F)c1 ZINC000284209211 565845689 /nfs/dbraw/zinc/84/56/89/565845689.db2.gz ZKHAVRUZYZTNDY-UHFFFAOYSA-N 1 2 376.812 3.030 10 0 GGAELO O[C@@H]1C[C@H]([C@H]2CCCOC2)N(c2[nH+]ccc3cc(Br)ccc32)C1 ZINC000413319321 565845957 /nfs/dbraw/zinc/84/59/57/565845957.db2.gz TZLXHLCKCCAPLX-YSVLISHTSA-N 1 2 377.282 3.364 10 0 GGAELO O[C@@H]1C[C@H]([C@@H]2CCCOC2)N(c2[nH+]ccc3cc(Br)ccc32)C1 ZINC000413319318 565845987 /nfs/dbraw/zinc/84/59/87/565845987.db2.gz TZLXHLCKCCAPLX-FRFSOERESA-N 1 2 377.282 3.364 10 0 GGAELO CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)c1 ZINC000284317432 565848804 /nfs/dbraw/zinc/84/88/04/565848804.db2.gz AVIGPFVVFFFIHM-XNJJOIOASA-N 1 2 384.307 3.488 10 0 GGAELO CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)c1 ZINC000284317432 565848807 /nfs/dbraw/zinc/84/88/07/565848807.db2.gz AVIGPFVVFFFIHM-XNJJOIOASA-N 1 2 384.307 3.488 10 0 GGAELO COC(=O)[C@]1(C)CC[N@H+](CC(=O)Nc2c(Cl)cccc2C(F)(F)F)C1 ZINC000177475349 565853948 /nfs/dbraw/zinc/85/39/48/565853948.db2.gz OROZUQBFRRVNNA-OAHLLOKOSA-N 1 2 378.778 3.182 10 0 GGAELO COC(=O)[C@]1(C)CC[N@@H+](CC(=O)Nc2c(Cl)cccc2C(F)(F)F)C1 ZINC000177475349 565853953 /nfs/dbraw/zinc/85/39/53/565853953.db2.gz OROZUQBFRRVNNA-OAHLLOKOSA-N 1 2 378.778 3.182 10 0 GGAELO C[C@@H]1CCN(C(=O)c2n[nH]c3ccc(Br)cc32)C[C@H]1n1cc[nH+]c1 ZINC000177486355 565855038 /nfs/dbraw/zinc/85/50/38/565855038.db2.gz LHYIOEHRZVSJKX-IAQYHMDHSA-N 1 2 388.269 3.245 10 0 GGAELO C[C@H]1CCN(C(=O)c2n[nH]c3ccc(Br)cc32)C[C@H]1n1cc[nH+]c1 ZINC000177486373 565855091 /nfs/dbraw/zinc/85/50/91/565855091.db2.gz LHYIOEHRZVSJKX-XHDPSFHLSA-N 1 2 388.269 3.245 10 0 GGAELO CSC1(CNC(=O)N(C)C[C@H](c2cccs2)[NH+]2CCOCC2)CCC1 ZINC000195100540 565858506 /nfs/dbraw/zinc/85/85/06/565858506.db2.gz DJUGCQZNNTUMHB-OAHLLOKOSA-N 1 2 383.583 3.049 10 0 GGAELO Cc1cn2c([nH+]1)[C@@H](CNC(=O)N1CCSC[C@H]1c1nccs1)CCC2 ZINC000332952020 565859489 /nfs/dbraw/zinc/85/94/89/565859489.db2.gz COBDTUFKGAQQHQ-KGLIPLIRSA-N 1 2 377.539 3.025 10 0 GGAELO CNc1cc(N2CCC[C@H]2CNC(=O)[C@@H](C)c2ccc(Cl)s2)nc[nH+]1 ZINC000177576238 565860647 /nfs/dbraw/zinc/86/06/47/565860647.db2.gz XKXBBOUPAMJVAU-RYUDHWBXSA-N 1 2 379.917 3.122 10 0 GGAELO CNc1cc(N2CCC[C@H]2CNC(=O)[C@@H](C)c2ccc(Cl)s2)[nH+]cn1 ZINC000177576238 565860649 /nfs/dbraw/zinc/86/06/49/565860649.db2.gz XKXBBOUPAMJVAU-RYUDHWBXSA-N 1 2 379.917 3.122 10 0 GGAELO CNc1cc(N2CCC[C@@H]2CNC(=O)[C@@H](C)c2ccc(Cl)s2)nc[nH+]1 ZINC000177576271 565861125 /nfs/dbraw/zinc/86/11/25/565861125.db2.gz XKXBBOUPAMJVAU-NWDGAFQWSA-N 1 2 379.917 3.122 10 0 GGAELO CNc1cc(N2CCC[C@@H]2CNC(=O)[C@@H](C)c2ccc(Cl)s2)[nH+]cn1 ZINC000177576271 565861128 /nfs/dbraw/zinc/86/11/28/565861128.db2.gz XKXBBOUPAMJVAU-NWDGAFQWSA-N 1 2 379.917 3.122 10 0 GGAELO COC(=O)[C@@H]1CSCCN(c2[nH+]ccc3cc(Br)ccc32)C1 ZINC000413613179 565862472 /nfs/dbraw/zinc/86/24/72/565862472.db2.gz VASMQKJABHOAQI-LBPRGKRZSA-N 1 2 381.295 3.340 10 0 GGAELO CCS(=O)(=O)C1CC[NH+](Cc2c(Cl)n(C)nc2-c2ccccc2)CC1 ZINC000195161323 565862516 /nfs/dbraw/zinc/86/25/16/565862516.db2.gz VSCSQRWAJZTWQP-UHFFFAOYSA-N 1 2 381.929 3.140 10 0 GGAELO CO[C@@H](C)c1noc(C[NH2+]C2(c3ccc(Br)cc3)CCOCC2)n1 ZINC000177658955 565865320 /nfs/dbraw/zinc/86/53/20/565865320.db2.gz LXDHLEXYFWGYGV-LBPRGKRZSA-N 1 2 396.285 3.335 10 0 GGAELO COc1ccc(CCC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)cc1Br ZINC000177759801 565871370 /nfs/dbraw/zinc/87/13/70/565871370.db2.gz LYRWKKOMFYNNJB-OAHLLOKOSA-N 1 2 392.297 3.278 10 0 GGAELO O=C(CCCOc1ccccc1Br)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177759769 565871772 /nfs/dbraw/zinc/87/17/72/565871772.db2.gz IZWPIUDFDFUMGM-OAHLLOKOSA-N 1 2 392.297 3.496 10 0 GGAELO Cc1ccc(I)c(C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)c1 ZINC000177762893 565873176 /nfs/dbraw/zinc/87/31/76/565873176.db2.gz YFPVKXYPCDGEJJ-CYBMUJFWSA-N 1 2 395.244 3.101 10 0 GGAELO COC(=O)c1sccc1NC(=O)C[N@@H+]1CCC[C@H](c2nc(C)cs2)C1 ZINC000195326604 565875301 /nfs/dbraw/zinc/87/53/01/565875301.db2.gz BWYSWQDASUSTHG-LBPRGKRZSA-N 1 2 379.507 3.118 10 0 GGAELO COC(=O)c1sccc1NC(=O)C[N@H+]1CCC[C@H](c2nc(C)cs2)C1 ZINC000195326604 565875306 /nfs/dbraw/zinc/87/53/06/565875306.db2.gz BWYSWQDASUSTHG-LBPRGKRZSA-N 1 2 379.507 3.118 10 0 GGAELO Cc1ccc([C@H](CNC(=O)/C=C/c2cnc(C)s2)[NH+]2CCOCC2)s1 ZINC000177973537 565884387 /nfs/dbraw/zinc/88/43/87/565884387.db2.gz NGHRHEIXEQBECP-NBUZRDOWSA-N 1 2 377.535 3.024 10 0 GGAELO C[C@@H](C(=O)Nc1ccccc1Br)[NH+]1CCC(c2ccnn2C)CC1 ZINC000195501981 565888082 /nfs/dbraw/zinc/88/80/82/565888082.db2.gz HRSLXONNEWPKJZ-ZDUSSCGKSA-N 1 2 391.313 3.389 10 0 GGAELO C[C@H](CNC(=O)Nc1cc(Br)c(F)cc1Cl)[NH+]1CCOCC1 ZINC000177987360 565888081 /nfs/dbraw/zinc/88/80/81/565888081.db2.gz ACZUPBISWHQATC-SECBINFHSA-N 1 2 394.672 3.084 10 0 GGAELO Cc1cc(Br)ccc1NC(=O)C[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000195506262 565888696 /nfs/dbraw/zinc/88/86/96/565888696.db2.gz ATDGCHINMIXIAY-UHFFFAOYSA-N 1 2 377.286 3.299 10 0 GGAELO O=S(=O)(CC[NH+]1CCC(c2cc[nH]n2)CC1)c1cc(Cl)ccc1Cl ZINC000195506225 565888719 /nfs/dbraw/zinc/88/87/19/565888719.db2.gz KJAMERFAJHOZJI-UHFFFAOYSA-N 1 2 388.320 3.370 10 0 GGAELO Cc1ccc(NC(=O)C[NH+]2CCC(c3ccnn3C)CC2)c(Br)c1 ZINC000195503729 565889477 /nfs/dbraw/zinc/88/94/77/565889477.db2.gz BTQZMWRJXTZZBR-UHFFFAOYSA-N 1 2 391.313 3.309 10 0 GGAELO CN(C)c1cc(NC(=O)N2C[C@]3(CCCO3)[C@H]2C2CC2)[nH+]cc1Br ZINC000333688174 565891899 /nfs/dbraw/zinc/89/18/99/565891899.db2.gz QBWQRXCXPOOJEV-NVXWUHKLSA-N 1 2 395.301 3.085 10 0 GGAELO CN(C)c1cc(NC(=O)N2CC[C@H](C3CCOCC3)C2)[nH+]cc1Br ZINC000333706968 565893356 /nfs/dbraw/zinc/89/33/56/565893356.db2.gz SHMPDYWRIQFJFV-ZDUSSCGKSA-N 1 2 397.317 3.191 10 0 GGAELO Brc1ccc(C[N@@H+]2CCO[C@]3(CCCOC3)C2)c2ncccc12 ZINC000285203070 565893842 /nfs/dbraw/zinc/89/38/42/565893842.db2.gz DCIJJCHVFLSDHR-GOSISDBHSA-N 1 2 377.282 3.379 10 0 GGAELO Brc1ccc(C[N@H+]2CCO[C@]3(CCCOC3)C2)c2ncccc12 ZINC000285203070 565893848 /nfs/dbraw/zinc/89/38/48/565893848.db2.gz DCIJJCHVFLSDHR-GOSISDBHSA-N 1 2 377.282 3.379 10 0 GGAELO CN(C)c1cc(NC(=O)N2CC(C)(C)[C@@H]2[C@@H]2CCCO2)[nH+]cc1Br ZINC000333738388 565894223 /nfs/dbraw/zinc/89/42/23/565894223.db2.gz XQMWGDUZAPQFKZ-ZFWWWQNUSA-N 1 2 397.317 3.331 10 0 GGAELO CN(C)c1cc(NC(=O)N2CC(C)(C)[C@H]2[C@@H]2CCCO2)[nH+]cc1Br ZINC000333738375 565894288 /nfs/dbraw/zinc/89/42/88/565894288.db2.gz XQMWGDUZAPQFKZ-DZGCQCFKSA-N 1 2 397.317 3.331 10 0 GGAELO O=C(c1ccc(Br)cc1Br)N1CCn2cc[nH+]c2C1 ZINC000218797420 565900467 /nfs/dbraw/zinc/90/04/67/565900467.db2.gz QSCCLVKPTFXZDQ-UHFFFAOYSA-N 1 2 385.059 3.064 10 0 GGAELO Brc1cc2cccnc2c(C[N@@H+]2CCO[C@]3(CCCOC3)C2)c1 ZINC000285378157 565903591 /nfs/dbraw/zinc/90/35/91/565903591.db2.gz RLHVGKUPSYERFU-GOSISDBHSA-N 1 2 377.282 3.379 10 0 GGAELO Brc1cc2cccnc2c(C[N@H+]2CCO[C@]3(CCCOC3)C2)c1 ZINC000285378157 565903596 /nfs/dbraw/zinc/90/35/96/565903596.db2.gz RLHVGKUPSYERFU-GOSISDBHSA-N 1 2 377.282 3.379 10 0 GGAELO O=C(c1cc(Br)cc(Br)c1)N1CCn2cc[nH+]c2C1 ZINC000222915900 565905896 /nfs/dbraw/zinc/90/58/96/565905896.db2.gz YUOHUTSTHOMKQM-UHFFFAOYSA-N 1 2 385.059 3.064 10 0 GGAELO O[C@H]1c2ccccc2OC[C@H]1[N@@H+]1CCc2c(Br)ccc(F)c2C1 ZINC000225718741 565915820 /nfs/dbraw/zinc/91/58/20/565915820.db2.gz CZEXPDPPYKKWBD-AEFFLSMTSA-N 1 2 378.241 3.441 10 0 GGAELO O[C@H]1c2ccccc2OC[C@H]1[N@H+]1CCc2c(Br)ccc(F)c2C1 ZINC000225718741 565915825 /nfs/dbraw/zinc/91/58/25/565915825.db2.gz CZEXPDPPYKKWBD-AEFFLSMTSA-N 1 2 378.241 3.441 10 0 GGAELO Cc1sc(Br)cc1S(=O)(=O)N1C[C@H]2CCCC[N@H+]2C[C@H]1C ZINC000227318746 565923370 /nfs/dbraw/zinc/92/33/70/565923370.db2.gz KYXVHKCNESNHFR-ZYHUDNBSSA-N 1 2 393.372 3.066 10 0 GGAELO Cc1sc(Br)cc1S(=O)(=O)N1C[C@H]2CCCC[N@@H+]2C[C@H]1C ZINC000227318746 565923376 /nfs/dbraw/zinc/92/33/76/565923376.db2.gz KYXVHKCNESNHFR-ZYHUDNBSSA-N 1 2 393.372 3.066 10 0 GGAELO C[C@H](CC(=O)NCC[N@@H+]1CCOCC1(C)C)c1ccc(Br)cc1 ZINC000178520019 565923634 /nfs/dbraw/zinc/92/36/34/565923634.db2.gz WQXRUQJYKKAPAT-CQSZACIVSA-N 1 2 383.330 3.170 10 0 GGAELO C[C@H](CC(=O)NCC[N@H+]1CCOCC1(C)C)c1ccc(Br)cc1 ZINC000178520019 565923637 /nfs/dbraw/zinc/92/36/37/565923637.db2.gz WQXRUQJYKKAPAT-CQSZACIVSA-N 1 2 383.330 3.170 10 0 GGAELO Cc1ccc([C@@H](CNC(=O)NCCc2ccsc2)[NH+]2CCOCC2)s1 ZINC000178548687 565925934 /nfs/dbraw/zinc/92/59/34/565925934.db2.gz IGZYNTVIOOCNIN-MRXNPFEDSA-N 1 2 379.551 3.033 10 0 GGAELO COc1ccc(C[N@H+]2CC=C(c3ccnn3C)CC2)c(Br)c1OC ZINC000285789500 565926565 /nfs/dbraw/zinc/92/65/65/565926565.db2.gz ZJNFHWGLXLMVDU-UHFFFAOYSA-N 1 2 392.297 3.489 10 0 GGAELO COc1ccc(C[N@@H+]2CC=C(c3ccnn3C)CC2)c(Br)c1OC ZINC000285789500 565926568 /nfs/dbraw/zinc/92/65/68/565926568.db2.gz ZJNFHWGLXLMVDU-UHFFFAOYSA-N 1 2 392.297 3.489 10 0 GGAELO OC[C@H]([NH2+]Cc1ncc(I)s1)c1ccc(Cl)cc1 ZINC000285940601 565934596 /nfs/dbraw/zinc/93/45/96/565934596.db2.gz MCZSSGGWZKYQTB-JTQLQIEISA-N 1 2 394.665 3.224 10 0 GGAELO C[C@H]1CN(Cc2cc(Br)c(O)c(Br)c2)C[C@@H]1[NH+](C)C ZINC000235679737 565937259 /nfs/dbraw/zinc/93/72/59/565937259.db2.gz QQMKKHNGXXCOSS-ZANVPECISA-N 1 2 392.135 3.299 10 0 GGAELO Oc1c(Br)cc(C[NH2+]CC[C@@H]2CCOC2)cc1Br ZINC000236560489 565938603 /nfs/dbraw/zinc/93/86/03/565938603.db2.gz AMJFHAVWCRFYOQ-SECBINFHSA-N 1 2 379.092 3.433 10 0 GGAELO C[C@H](CNS(=O)(=O)c1ccc(C(F)(F)F)cc1Cl)Cn1cc[nH+]c1 ZINC000414469746 565938973 /nfs/dbraw/zinc/93/89/73/565938973.db2.gz MQZAHZUZDSMXKX-SNVBAGLBSA-N 1 2 381.807 3.170 10 0 GGAELO C[C@H](CNS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)Cn1cc[nH+]c1 ZINC000414469756 565939064 /nfs/dbraw/zinc/93/90/64/565939064.db2.gz MTJSIHXKHAPADD-SECBINFHSA-N 1 2 382.700 3.458 10 0 GGAELO Brc1ccc(C[N@@H+]2CCO[C@@H](C3CCC3)C2)c(N2CCOCC2)c1 ZINC000414476765 565940341 /nfs/dbraw/zinc/94/03/41/565940341.db2.gz YLJCKELCUFGFCS-LJQANCHMSA-N 1 2 395.341 3.287 10 0 GGAELO Brc1ccc(C[N@H+]2CCO[C@@H](C3CCC3)C2)c(N2CCOCC2)c1 ZINC000414476765 565940345 /nfs/dbraw/zinc/94/03/45/565940345.db2.gz YLJCKELCUFGFCS-LJQANCHMSA-N 1 2 395.341 3.287 10 0 GGAELO Cc1cc(Br)ccc1NC(=O)C[N@@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000178835283 565940397 /nfs/dbraw/zinc/94/03/97/565940397.db2.gz SDIGWPFDMCDMHM-CYBMUJFWSA-N 1 2 397.313 3.360 10 0 GGAELO Cc1cc(Br)ccc1NC(=O)C[N@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000178835283 565940400 /nfs/dbraw/zinc/94/04/00/565940400.db2.gz SDIGWPFDMCDMHM-CYBMUJFWSA-N 1 2 397.313 3.360 10 0 GGAELO CCOC(=O)c1nn(C)cc1C[NH2+]Cc1cccc(Br)c1Cl ZINC000414477626 565940440 /nfs/dbraw/zinc/94/04/40/565940440.db2.gz DEGTVGGGIFZAPA-UHFFFAOYSA-N 1 2 386.677 3.303 10 0 GGAELO Cc1cc(Br)ccc1NC(=O)C[N@@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000178835266 565940509 /nfs/dbraw/zinc/94/05/09/565940509.db2.gz SDIGWPFDMCDMHM-ZDUSSCGKSA-N 1 2 397.313 3.360 10 0 GGAELO Cc1cc(Br)ccc1NC(=O)C[N@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000178835266 565940512 /nfs/dbraw/zinc/94/05/12/565940512.db2.gz SDIGWPFDMCDMHM-ZDUSSCGKSA-N 1 2 397.313 3.360 10 0 GGAELO Cc1[nH+]c2ccccc2n1CCc1noc(-c2c(Br)cnn2C)n1 ZINC000351087502 565946982 /nfs/dbraw/zinc/94/69/82/565946982.db2.gz ITUPHKJKTRNMKY-UHFFFAOYSA-N 1 2 387.241 3.133 10 0 GGAELO COc1cc(Br)c(C[NH+]2CC(CO)(c3ccccc3)C2)c(OC)c1 ZINC000414550118 565948666 /nfs/dbraw/zinc/94/86/66/565948666.db2.gz MRQNFKZRLRHGCP-UHFFFAOYSA-N 1 2 392.293 3.212 10 0 GGAELO C[C@@H](Cc1ccc(Br)cc1)NC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000360774818 565961791 /nfs/dbraw/zinc/96/17/91/565961791.db2.gz APGQQVPVRZBQOH-DZGCQCFKSA-N 1 2 391.313 3.313 10 0 GGAELO CCn1nc2c(cc1=O)CN(c1cc[nH+]c3c(Br)cccc13)CC2 ZINC000361686016 565971762 /nfs/dbraw/zinc/97/17/62/565971762.db2.gz PZSBJTKHBLAFOV-UHFFFAOYSA-N 1 2 385.265 3.137 10 0 GGAELO CN(C)c1ccc2cc(NC(=O)c3cc(S(C)(=O)=O)cs3)ccc2[nH+]1 ZINC000179382170 565977674 /nfs/dbraw/zinc/97/76/74/565977674.db2.gz KWKUAXKNXKAFTE-UHFFFAOYSA-N 1 2 375.475 3.018 10 0 GGAELO Cc1cc(CC(=O)N2CC[NH+](CCc3ccc(Cl)c(Cl)c3)CC2)no1 ZINC000179402152 565978831 /nfs/dbraw/zinc/97/88/31/565978831.db2.gz ZEIHAIKHLGZSOH-UHFFFAOYSA-N 1 2 382.291 3.219 10 0 GGAELO Cc1nc(C(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)c(C)s1 ZINC000179422725 565979223 /nfs/dbraw/zinc/97/92/23/565979223.db2.gz HNIKEXZHVOHRFO-WBVHZDCISA-N 1 2 379.913 3.215 10 0 GGAELO Cc1nc(C(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)c(C)s1 ZINC000179422725 565979229 /nfs/dbraw/zinc/97/92/29/565979229.db2.gz HNIKEXZHVOHRFO-WBVHZDCISA-N 1 2 379.913 3.215 10 0 GGAELO Brc1cccc(-c2c[nH]c(C[N@@H+]3CCC[C@@H](n4cncn4)C3)n2)c1 ZINC000179464452 565982099 /nfs/dbraw/zinc/98/20/99/565982099.db2.gz BYPZGPVPRUIYJZ-OAHLLOKOSA-N 1 2 387.285 3.268 10 0 GGAELO 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GGAELO OC[C@@]1(F)C[N@@H+](Cc2cc(O)ccc2Br)C[C@@H]1c1ccccc1 ZINC000449420872 566560016 /nfs/dbraw/zinc/56/00/16/566560016.db2.gz KINPUFDWETWRDP-AEFFLSMTSA-N 1 2 380.257 3.455 10 0 GGAELO CC[C@H]1[C@@H](CO)CC[N@H+]1Cc1ncc(Br)cc1Br ZINC000449418080 566560290 /nfs/dbraw/zinc/56/02/90/566560290.db2.gz BFVWSWPFOLMKRT-RNCFNFMXSA-N 1 2 378.108 3.199 10 0 GGAELO CC[C@H]1[C@@H](CO)CC[N@@H+]1Cc1ncc(Br)cc1Br ZINC000449418080 566560283 /nfs/dbraw/zinc/56/02/83/566560283.db2.gz BFVWSWPFOLMKRT-RNCFNFMXSA-N 1 2 378.108 3.199 10 0 GGAELO CC[C@H]1[C@H](CO)CC[N@@H+]1Cc1c(Br)cncc1Br ZINC000449419265 566560781 /nfs/dbraw/zinc/56/07/81/566560781.db2.gz HBBDNSWPGIJUHB-ZANVPECISA-N 1 2 378.108 3.199 10 0 GGAELO CC[C@H]1[C@H](CO)CC[N@H+]1Cc1c(Br)cncc1Br ZINC000449419265 566560787 /nfs/dbraw/zinc/56/07/87/566560787.db2.gz HBBDNSWPGIJUHB-ZANVPECISA-N 1 2 378.108 3.199 10 0 GGAELO COC[C@]1(C)C[N@H+](Cc2cn(-c3ccccc3Br)nc2C)CCO1 ZINC000628497380 566561824 /nfs/dbraw/zinc/56/18/24/566561824.db2.gz 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COc1cc(Br)ccc1C[NH2+][C@@H](c1nccn1C)C(C)(C)CO ZINC000449442345 566562156 /nfs/dbraw/zinc/56/21/56/566562156.db2.gz KJYJGLNLBYUFGZ-HNNXBMFYSA-N 1 2 382.302 3.041 10 0 GGAELO Cc1c(Br)cccc1S(=O)(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000673885029 566564045 /nfs/dbraw/zinc/56/40/45/566564045.db2.gz PITKSCQNXRGRHX-UHFFFAOYSA-N 1 2 393.266 3.139 10 0 GGAELO Cc1ccc(OCc2nc(C[NH2+][C@H](C)C3(S(C)(=O)=O)CC3)cs2)cc1 ZINC000512859948 566564183 /nfs/dbraw/zinc/56/41/83/566564183.db2.gz FRBUAXHWMNUKOV-CQSZACIVSA-N 1 2 380.535 3.086 10 0 GGAELO O[C@@H]1CCC[C@@H]1[C@H]1CCCC[N@@H+]1Cc1ncc(I)s1 ZINC000449447659 566564764 /nfs/dbraw/zinc/56/47/64/566564764.db2.gz AXCIWAANMOWTKK-IJLUTSLNSA-N 1 2 392.306 3.263 10 0 GGAELO O[C@@H]1CCC[C@@H]1[C@H]1CCCC[N@H+]1Cc1ncc(I)s1 ZINC000449447659 566564769 /nfs/dbraw/zinc/56/47/69/566564769.db2.gz AXCIWAANMOWTKK-IJLUTSLNSA-N 1 2 392.306 3.263 10 0 GGAELO Cc1cc(S(=O)(=O)NCc2[nH+]ccn2CC(F)(F)F)c(Cl)cc1F ZINC000539171841 566566581 /nfs/dbraw/zinc/56/65/81/566566581.db2.gz 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COc1cc(Br)ccc1[C@@H]1CCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000628677123 566575948 /nfs/dbraw/zinc/57/59/48/566575948.db2.gz QLXPDCMJBKANLC-AWEZNQCLSA-N 1 2 378.270 3.477 10 0 GGAELO Fc1ccc([C@@H]([NH2+]CCOc2cccc(Br)c2)c2cnn[nH]2)cc1 ZINC000559915610 566576533 /nfs/dbraw/zinc/57/65/33/566576533.db2.gz HAQREFADDMILIS-QGZVFWFLSA-N 1 2 391.244 3.464 10 0 GGAELO Fc1ccc([C@@H]([NH2+]CCOc2cccc(Br)c2)c2cn[nH]n2)cc1 ZINC000559915610 566576536 /nfs/dbraw/zinc/57/65/36/566576536.db2.gz HAQREFADDMILIS-QGZVFWFLSA-N 1 2 391.244 3.464 10 0 GGAELO Cc1nccc(C[N@@H+](C)Cc2cccc(Br)c2OCC(C)(C)O)n1 ZINC000513106286 566579048 /nfs/dbraw/zinc/57/90/48/566579048.db2.gz JQCXWVXIUZWGBW-UHFFFAOYSA-N 1 2 394.313 3.329 10 0 GGAELO Cc1nccc(C[N@H+](C)Cc2cccc(Br)c2OCC(C)(C)O)n1 ZINC000513106286 566579053 /nfs/dbraw/zinc/57/90/53/566579053.db2.gz JQCXWVXIUZWGBW-UHFFFAOYSA-N 1 2 394.313 3.329 10 0 GGAELO CSc1ccc(NC(=O)C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1Cl ZINC000674202583 566579909 /nfs/dbraw/zinc/57/99/09/566579909.db2.gz 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O[C@@H]([C@@H]1CC[N@@H+](Cc2cn(-c3ccc(Cl)cc3Cl)nn2)C1)C(F)(F)F ZINC000449672338 566587024 /nfs/dbraw/zinc/58/70/24/566587024.db2.gz MLOLBCSHOWJFRD-OTYXRUKQSA-N 1 2 395.212 3.319 10 0 GGAELO C[C@@H]1CN(c2ccc(CNC(=O)c3ccsc3Br)c[nH+]2)CCO1 ZINC000449644697 566587170 /nfs/dbraw/zinc/58/71/70/566587170.db2.gz GFHJSYIRSIOCQA-LLVKDONJSA-N 1 2 396.310 3.061 10 0 GGAELO O=C(C1=Cc2cc(Br)ccc2OC1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000674364295 566588754 /nfs/dbraw/zinc/58/87/54/566588754.db2.gz GBMZGONEQBDJLQ-UHFFFAOYSA-N 1 2 388.265 3.354 10 0 GGAELO O=C(C1=Cc2cc(Br)ccc2OC1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000674364295 566588763 /nfs/dbraw/zinc/58/87/63/566588763.db2.gz GBMZGONEQBDJLQ-UHFFFAOYSA-N 1 2 388.265 3.354 10 0 GGAELO Cn1c[nH+]cc1CC(=O)N[C@@H]1CCCSc2ccc(Br)cc21 ZINC000628830079 566591206 /nfs/dbraw/zinc/59/12/06/566591206.db2.gz TUBWMROLGFYRMX-CQSZACIVSA-N 1 2 380.311 3.469 10 0 GGAELO Cn1c[nH+]cc1CC(=O)N[C@H]1CCCSc2ccc(Br)cc21 ZINC000628830078 566591235 /nfs/dbraw/zinc/59/12/35/566591235.db2.gz 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O=C(c1cc[nH]c(=O)c1Br)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000469774576 566812849 /nfs/dbraw/zinc/81/28/49/566812849.db2.gz GLCNALRQOPTDIX-UHFFFAOYSA-N 1 2 393.285 3.079 10 0 GGAELO CN1C(=O)C[C@H]([NH2+]Cc2nnc(C3CC3)s2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000562700210 566813012 /nfs/dbraw/zinc/81/30/12/566813012.db2.gz KLYMWJOJYFTZMJ-XJKSGUPXSA-N 1 2 380.876 3.270 10 0 GGAELO COC(=O)c1c2c(sc1NC(=O)C[NH2+][C@@H](C)c1nc(C)cs1)CCC2 ZINC000542580671 566813697 /nfs/dbraw/zinc/81/36/97/566813697.db2.gz JNBIQHAVJOBNGM-JTQLQIEISA-N 1 2 379.507 3.078 10 0 GGAELO CN1C(=O)C[C@@H]([NH2+]Cc2nnc(C3CC3)s2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000562700209 566813786 /nfs/dbraw/zinc/81/37/86/566813786.db2.gz KLYMWJOJYFTZMJ-CZUORRHYSA-N 1 2 380.876 3.270 10 0 GGAELO Cc1csc([C@@H](C)[NH2+]CCS(=O)(=O)c2ccc(Br)cc2)n1 ZINC000542580637 566814035 /nfs/dbraw/zinc/81/40/35/566814035.db2.gz RUPGGJGZFQLQDX-LLVKDONJSA-N 1 2 389.340 3.339 10 0 GGAELO O=C([C@H]1[C@@H]2c3ccc(Br)cc3C[C@H]12)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000631673174 566814981 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ZINC000582086113 566830233 /nfs/dbraw/zinc/83/02/33/566830233.db2.gz JFULHKCRADQLIY-LBPRGKRZSA-N 1 2 395.301 3.441 10 0 GGAELO CCCOc1ccc(Br)cc1C[N@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000582086113 566830236 /nfs/dbraw/zinc/83/02/36/566830236.db2.gz JFULHKCRADQLIY-LBPRGKRZSA-N 1 2 395.301 3.441 10 0 GGAELO COCC[N@H+](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[C@H]1CCOC1 ZINC000490101093 566830544 /nfs/dbraw/zinc/83/05/44/566830544.db2.gz QWAWYZBDHQAUKZ-LBPRGKRZSA-N 1 2 380.794 3.035 10 0 GGAELO COCC[N@@H+](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[C@H]1CCOC1 ZINC000490101093 566830549 /nfs/dbraw/zinc/83/05/49/566830549.db2.gz QWAWYZBDHQAUKZ-LBPRGKRZSA-N 1 2 380.794 3.035 10 0 GGAELO CC(C)C[C@H]([NH2+]Cc1nccn1S(=O)(=O)N(C)C)c1ccc(Cl)cc1 ZINC000562913275 566833246 /nfs/dbraw/zinc/83/32/46/566833246.db2.gz IVYUGIYDEOAIIS-INIZCTEOSA-N 1 2 384.933 3.068 10 0 GGAELO CCOc1cc(C[N@@H+]2C[C@H](O)C3(CC3)C2)cc(Br)c1OC(F)F ZINC000428376107 566836130 /nfs/dbraw/zinc/83/61/30/566836130.db2.gz PQRVXAIJBIPQHZ-ZDUSSCGKSA-N 1 2 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/nfs/dbraw/zinc/83/85/37/566838537.db2.gz WGOLFNCCDBNJLG-UHFFFAOYSA-N 1 2 377.286 3.019 10 0 GGAELO CSC[C@H]1CCCN(C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)C1 ZINC000490233185 566838630 /nfs/dbraw/zinc/83/86/30/566838630.db2.gz BCGCATNHKLSATF-HNNXBMFYSA-N 1 2 381.973 3.483 10 0 GGAELO CSC[C@H]1CCCN(C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)C1 ZINC000490233185 566838632 /nfs/dbraw/zinc/83/86/32/566838632.db2.gz BCGCATNHKLSATF-HNNXBMFYSA-N 1 2 381.973 3.483 10 0 GGAELO COc1cc(Br)c(C[NH2+]Cc2cc3n(n2)CCCC3)cc1OC ZINC000655729600 566840013 /nfs/dbraw/zinc/84/00/13/566840013.db2.gz LOTUUGIXNVIZFZ-UHFFFAOYSA-N 1 2 380.286 3.289 10 0 GGAELO COC(=O)C(C)(C)N1CC[NH+](Cc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000428422845 566843944 /nfs/dbraw/zinc/84/39/44/566843944.db2.gz RYFFNOCWOFZRIK-UHFFFAOYSA-N 1 2 376.831 3.011 10 0 GGAELO COc1cc(S(=O)(=O)N2C[C@H](C)[NH2+]Cc3ccc(F)cc32)ccc1Cl ZINC000517758850 566845876 /nfs/dbraw/zinc/84/58/76/566845876.db2.gz HBKIYVOSMQXTFY-NSHDSACASA-N 1 2 384.860 3.175 10 0 GGAELO Brc1ccc2c(c1)[C@@H]([NH2+]Cc1nc([C@H]3CCCO3)n[nH]1)CCCO2 ZINC000655796922 566849555 /nfs/dbraw/zinc/84/95/55/566849555.db2.gz KWSAEYZVGINMEU-DZGCQCFKSA-N 1 2 393.285 3.422 10 0 GGAELO Cc1nn(-c2ccccc2F)cc1C[NH2+]Cc1nn(C)cc1Br ZINC000655778555 566850048 /nfs/dbraw/zinc/85/00/48/566850048.db2.gz PFMHSWTWZDYNPG-UHFFFAOYSA-N 1 2 378.249 3.106 10 0 GGAELO O=C(NCC1([NH+]2CCOCC2)CC1)c1cc(Br)cc2ccccc21 ZINC000470154611 566851017 /nfs/dbraw/zinc/85/10/17/566851017.db2.gz JLJSNRDWVPWHHD-UHFFFAOYSA-N 1 2 389.293 3.197 10 0 GGAELO CC(C)(C)c1csc(CNC(=O)NCc2[nH+]ccn2CC(F)(F)F)n1 ZINC000517913754 566854696 /nfs/dbraw/zinc/85/46/96/566854696.db2.gz CFEDUWWAJNYICC-UHFFFAOYSA-N 1 2 375.420 3.199 10 0 GGAELO Cc1ccc2c(c1C)OC[C@@H]2[NH2+][C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000517934230 566854886 /nfs/dbraw/zinc/85/48/86/566854886.db2.gz QGJDQBOUGWENNX-JKSUJKDBSA-N 1 2 375.266 3.316 10 0 GGAELO COC(=O)c1cncc(NCc2c[nH+]c3c(C)cc(Br)cn23)c1 ZINC000543141410 566855409 /nfs/dbraw/zinc/85/54/09/566855409.db2.gz DTYYLWDUQFSUES-UHFFFAOYSA-N 1 2 375.226 3.199 10 0 GGAELO Cc1cc(C(=O)C[N@@H+]2CCSC[C@@H]2CCO)c(C)n1Cc1cccs1 ZINC000470191947 566855841 /nfs/dbraw/zinc/85/58/41/566855841.db2.gz CTZWOXDVRGIHIV-INIZCTEOSA-N 1 2 378.563 3.197 10 0 GGAELO Cc1cc(C(=O)C[N@H+]2CCSC[C@@H]2CCO)c(C)n1Cc1cccs1 ZINC000470191947 566855849 /nfs/dbraw/zinc/85/58/49/566855849.db2.gz CTZWOXDVRGIHIV-INIZCTEOSA-N 1 2 378.563 3.197 10 0 GGAELO OCC[C@@H]1CSCC[N@@H+]1Cc1ncc(-c2cccc(Br)c2)o1 ZINC000470189514 566856316 /nfs/dbraw/zinc/85/63/16/566856316.db2.gz FXUXFBBMJREKPD-CQSZACIVSA-N 1 2 383.311 3.404 10 0 GGAELO OCC[C@@H]1CSCC[N@H+]1Cc1ncc(-c2cccc(Br)c2)o1 ZINC000470189514 566856317 /nfs/dbraw/zinc/85/63/17/566856317.db2.gz FXUXFBBMJREKPD-CQSZACIVSA-N 1 2 383.311 3.404 10 0 GGAELO OCC[C@@H]1CSCC[N@@H+]1Cc1coc(-c2ccc(Br)cc2)n1 ZINC000470189740 566856358 /nfs/dbraw/zinc/85/63/58/566856358.db2.gz HIVXJKGUCXMYJF-OAHLLOKOSA-N 1 2 383.311 3.404 10 0 GGAELO OCC[C@@H]1CSCC[N@H+]1Cc1coc(-c2ccc(Br)cc2)n1 ZINC000470189740 566856365 /nfs/dbraw/zinc/85/63/65/566856365.db2.gz HIVXJKGUCXMYJF-OAHLLOKOSA-N 1 2 383.311 3.404 10 0 GGAELO OCC[C@H]1CSCC[N@@H+]1CCOc1ccc(Cl)cc1Br ZINC000470191384 566856874 /nfs/dbraw/zinc/85/68/74/566856874.db2.gz VXYKGPGUORHJKO-LBPRGKRZSA-N 1 2 380.735 3.281 10 0 GGAELO OCC[C@H]1CSCC[N@H+]1CCOc1ccc(Cl)cc1Br ZINC000470191384 566856881 /nfs/dbraw/zinc/85/68/81/566856881.db2.gz VXYKGPGUORHJKO-LBPRGKRZSA-N 1 2 380.735 3.281 10 0 GGAELO COc1ccc(-c2nc(C[N@@H+]3CCSC[C@@H]3CCO)cs2)cc1OC ZINC000470209368 566856958 /nfs/dbraw/zinc/85/69/58/566856958.db2.gz ZQBISOSQHRHFAO-HNNXBMFYSA-N 1 2 380.535 3.127 10 0 GGAELO COc1ccc(-c2nc(C[N@H+]3CCSC[C@@H]3CCO)cs2)cc1OC ZINC000470209368 566856966 /nfs/dbraw/zinc/85/69/66/566856966.db2.gz ZQBISOSQHRHFAO-HNNXBMFYSA-N 1 2 380.535 3.127 10 0 GGAELO O=C(c1c(F)cccc1I)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000610756827 566859014 /nfs/dbraw/zinc/85/90/14/566859014.db2.gz DHAXDXHENJFYSE-LLVKDONJSA-N 1 2 399.207 3.104 10 0 GGAELO C[N@@H+]1CC[C@H](NC(=O)c2snnc2C2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000518019400 566859457 /nfs/dbraw/zinc/85/94/57/566859457.db2.gz NWCBYNHOTWTEGB-ZFWWWQNUSA-N 1 2 380.876 3.383 10 0 GGAELO C[N@H+]1CC[C@H](NC(=O)c2snnc2C2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000518019400 566859462 /nfs/dbraw/zinc/85/94/62/566859462.db2.gz NWCBYNHOTWTEGB-ZFWWWQNUSA-N 1 2 380.876 3.383 10 0 GGAELO C[C@H](NS(=O)(=O)c1onc(C2CC2)c1Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000632197026 566859955 /nfs/dbraw/zinc/85/99/55/566859955.db2.gz KJBKQMXINYFZPE-AAEUAGOBSA-N 1 2 387.933 3.137 10 0 GGAELO C[C@H](NS(=O)(=O)c1onc(C2CC2)c1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000632197026 566859965 /nfs/dbraw/zinc/85/99/65/566859965.db2.gz KJBKQMXINYFZPE-AAEUAGOBSA-N 1 2 387.933 3.137 10 0 GGAELO C[N@@H+]1CC[C@@H](NC(=O)c2snnc2C2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000518019398 566860292 /nfs/dbraw/zinc/86/02/92/566860292.db2.gz NWCBYNHOTWTEGB-HIFRSBDPSA-N 1 2 380.876 3.383 10 0 GGAELO C[N@H+]1CC[C@@H](NC(=O)c2snnc2C2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000518019398 566860297 /nfs/dbraw/zinc/86/02/97/566860297.db2.gz NWCBYNHOTWTEGB-HIFRSBDPSA-N 1 2 380.876 3.383 10 0 GGAELO C[N@@H+]1CC[C@H](NC(=O)c2snnc2C2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000518019397 566860333 /nfs/dbraw/zinc/86/03/33/566860333.db2.gz NWCBYNHOTWTEGB-DZGCQCFKSA-N 1 2 380.876 3.383 10 0 GGAELO C[N@H+]1CC[C@H](NC(=O)c2snnc2C2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000518019397 566860338 /nfs/dbraw/zinc/86/03/38/566860338.db2.gz NWCBYNHOTWTEGB-DZGCQCFKSA-N 1 2 380.876 3.383 10 0 GGAELO Cc1ccc(I)cc1C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000610785019 566864061 /nfs/dbraw/zinc/86/40/61/566864061.db2.gz DEBHNRVAJDEGCS-AWEZNQCLSA-N 1 2 395.244 3.273 10 0 GGAELO C[C@H](C(=O)Nc1ccccc1Br)[N@@H+]1CC[C@@H]2C[C@H](O)CC[C@H]2C1 ZINC000451701988 566864805 /nfs/dbraw/zinc/86/48/05/566864805.db2.gz HZNFQFKUIUSMNG-APIJFGDWSA-N 1 2 381.314 3.259 10 0 GGAELO C[C@H](C(=O)Nc1ccccc1Br)[N@H+]1CC[C@@H]2C[C@H](O)CC[C@H]2C1 ZINC000451701988 566864816 /nfs/dbraw/zinc/86/48/16/566864816.db2.gz HZNFQFKUIUSMNG-APIJFGDWSA-N 1 2 381.314 3.259 10 0 GGAELO Cc1cn2c([nH+]1)CN(C(=O)N[C@H](C)c1ccc(F)c(Br)c1)CC2 ZINC000656007215 566865716 /nfs/dbraw/zinc/86/57/16/566865716.db2.gz ZVSSNZJPQIKFHY-LLVKDONJSA-N 1 2 381.249 3.380 10 0 GGAELO CN(Cc1cnn(C)c1)C(=O)C[N@@H+]1CCC[C@@H]1c1ccc(Br)s1 ZINC000543254092 566866602 /nfs/dbraw/zinc/86/66/02/566866602.db2.gz XKYZFDCIPAUJMO-CYBMUJFWSA-N 1 2 397.342 3.040 10 0 GGAELO CN(Cc1cnn(C)c1)C(=O)C[N@H+]1CCC[C@@H]1c1ccc(Br)s1 ZINC000543254092 566866610 /nfs/dbraw/zinc/86/66/10/566866610.db2.gz XKYZFDCIPAUJMO-CYBMUJFWSA-N 1 2 397.342 3.040 10 0 GGAELO CCn1ccc(C(=O)N2CC[NH+](CCc3ccc(Cl)c(Cl)c3)CC2)n1 ZINC000582490411 566867186 /nfs/dbraw/zinc/86/71/86/566867186.db2.gz BDADCCJISHGDNM-UHFFFAOYSA-N 1 2 381.307 3.210 10 0 GGAELO C[C@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CCC[C@H](OC(F)F)C1 ZINC000679682833 566867723 /nfs/dbraw/zinc/86/77/23/566867723.db2.gz JZXVLXIIKZIGFY-MFKMUULPSA-N 1 2 377.229 3.480 10 0 GGAELO C[C@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1CCC[C@H](OC(F)F)C1 ZINC000679682833 566867730 /nfs/dbraw/zinc/86/77/30/566867730.db2.gz JZXVLXIIKZIGFY-MFKMUULPSA-N 1 2 377.229 3.480 10 0 GGAELO C[C@@H](NC(=O)C[N@@H+]1CCC[C@@H](OC(F)F)C1)c1ccc(Br)cc1 ZINC000679683003 566867818 /nfs/dbraw/zinc/86/78/18/566867818.db2.gz VQWOLZQROKFBGK-BXUZGUMPSA-N 1 2 391.256 3.330 10 0 GGAELO C[C@@H](NC(=O)C[N@H+]1CCC[C@@H](OC(F)F)C1)c1ccc(Br)cc1 ZINC000679683003 566867821 /nfs/dbraw/zinc/86/78/21/566867821.db2.gz VQWOLZQROKFBGK-BXUZGUMPSA-N 1 2 391.256 3.330 10 0 GGAELO Cc1c(Br)cccc1CNC(=O)NCc1ccc[nH+]c1N(C)C ZINC000518211193 566870211 /nfs/dbraw/zinc/87/02/11/566870211.db2.gz CVXZZQVZTOADNI-UHFFFAOYSA-N 1 2 377.286 3.218 10 0 GGAELO Cc1cc(Br)cc(C)c1CNC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000582520030 566870569 /nfs/dbraw/zinc/87/05/69/566870569.db2.gz WJKQFCJEEOYXGC-CYBMUJFWSA-N 1 2 377.286 3.146 10 0 GGAELO Cc1cc(Br)cc(C)c1CNC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000582520030 566870578 /nfs/dbraw/zinc/87/05/78/566870578.db2.gz WJKQFCJEEOYXGC-CYBMUJFWSA-N 1 2 377.286 3.146 10 0 GGAELO Cc1ccn2cc(CNC(=O)C(=O)Nc3cc(Cl)cc(Cl)c3)[nH+]c2c1 ZINC000518207235 566870598 /nfs/dbraw/zinc/87/05/98/566870598.db2.gz AOFXREMKCFHVPO-UHFFFAOYSA-N 1 2 377.231 3.204 10 0 GGAELO CN(CCC[N@H+](C)Cc1ccco1)C(=O)c1cc(Br)c(F)cc1O ZINC000451726287 566870885 /nfs/dbraw/zinc/87/08/85/566870885.db2.gz RTANKMBKILJHFX-UHFFFAOYSA-N 1 2 399.260 3.481 10 0 GGAELO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)c1cc(Br)c(F)cc1O ZINC000451726287 566870893 /nfs/dbraw/zinc/87/08/93/566870893.db2.gz RTANKMBKILJHFX-UHFFFAOYSA-N 1 2 399.260 3.481 10 0 GGAELO CCn1cc[nH+]c1[C@@H]1CCCCN1S(=O)(=O)c1onc(C2CC2)c1Cl ZINC000632300590 566871736 /nfs/dbraw/zinc/87/17/36/566871736.db2.gz XCJYKMBMLLCCMP-LBPRGKRZSA-N 1 2 384.889 3.338 10 0 GGAELO O=S(=O)(Nc1ccccc1)[C@@H]1CCC[N@H+](Cc2nc3c(s2)CCC3)C1 ZINC000679772312 566873101 /nfs/dbraw/zinc/87/31/01/566873101.db2.gz IXSGCJZPRYCXOU-OAHLLOKOSA-N 1 2 377.535 3.038 10 0 GGAELO O=S(=O)(Nc1ccccc1)[C@@H]1CCC[N@@H+](Cc2nc3c(s2)CCC3)C1 ZINC000679772312 566873107 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CCn1cc[nH+]c1CNS(=O)(=O)c1ccc(C(F)(F)C(F)(F)F)cc1 ZINC000632392483 566880810 /nfs/dbraw/zinc/88/08/10/566880810.db2.gz MQDAQRCEKPCCNU-UHFFFAOYSA-N 1 2 383.342 3.036 10 0 GGAELO CN(C(=O)c1n[nH]c(-c2ccccc2)c1Br)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000518431463 566882672 /nfs/dbraw/zinc/88/26/72/566882672.db2.gz BUXILNVLAIKBIK-CQSZACIVSA-N 1 2 389.297 3.148 10 0 GGAELO CN(C(=O)c1n[nH]c(-c2ccccc2)c1Br)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000518431463 566882682 /nfs/dbraw/zinc/88/26/82/566882682.db2.gz BUXILNVLAIKBIK-CQSZACIVSA-N 1 2 389.297 3.148 10 0 GGAELO Cn1cc(C[NH2+]Cc2ccc(OCc3ccccc3)c(Br)c2)nn1 ZINC000679931781 566883384 /nfs/dbraw/zinc/88/33/84/566883384.db2.gz BWDAUCYZVYQUQC-UHFFFAOYSA-N 1 2 387.281 3.446 10 0 GGAELO CC[C@@H]([NH2+][C@@H](C(N)=O)c1cccc(Br)c1)c1c(C)nn(C)c1C ZINC000543457256 566884446 /nfs/dbraw/zinc/88/44/46/566884446.db2.gz JTSIQKIXNRNPCQ-GDBMZVCRSA-N 1 2 379.302 3.067 10 0 GGAELO C[C@@H](c1ccccc1)[C@H]([NH2+]Cc1nc2ccc(Br)cc2[nH]1)C(N)=O ZINC000428838950 566884822 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Cc1nc2ccc(S(=O)(=O)N3CC(C)(C)[C@H]3c3[nH+]ccn3C)cc2s1 ZINC000584392268 567037943 /nfs/dbraw/zinc/03/79/43/567037943.db2.gz MAHMYIFYGHZAHZ-OAHLLOKOSA-N 1 2 376.507 3.110 10 0 GGAELO Cn1ncc(Br)c1C[N@@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000494983961 567038640 /nfs/dbraw/zinc/03/86/40/567038640.db2.gz ZJCAHLHOQCSYNW-MRXNPFEDSA-N 1 2 378.314 3.406 10 0 GGAELO Cn1ncc(Br)c1C[N@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000494983961 567038652 /nfs/dbraw/zinc/03/86/52/567038652.db2.gz ZJCAHLHOQCSYNW-MRXNPFEDSA-N 1 2 378.314 3.406 10 0 GGAELO CO[C@@H](C(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1)C1CCCC1 ZINC000613504321 567042212 /nfs/dbraw/zinc/04/22/12/567042212.db2.gz OBHZIOMPBBFQIQ-OAHLLOKOSA-N 1 2 380.286 3.227 10 0 GGAELO Cc1cc(Br)cn2cc(CNC(=O)c3onc4c3CCCC4)[nH+]c12 ZINC000613505150 567042560 /nfs/dbraw/zinc/04/25/60/567042560.db2.gz WDRQUFRMKHJZNR-UHFFFAOYSA-N 1 2 389.253 3.202 10 0 GGAELO Cc1cc(Br)cn2cc(CNC(=O)C[C@H](C)[C@H]3CCCO3)[nH+]c12 ZINC000613504251 567042856 /nfs/dbraw/zinc/04/28/56/567042856.db2.gz MNQZLVDRAKMWSO-XHDPSFHLSA-N 1 2 380.286 3.227 10 0 GGAELO Cc1cc(Br)cn2cc(CCNC(=O)CCOCC(C)C)[nH+]c12 ZINC000545357089 567043904 /nfs/dbraw/zinc/04/39/04/567043904.db2.gz VQKCOVLDSZWRGG-UHFFFAOYSA-N 1 2 382.302 3.127 10 0 GGAELO CC(C)(C)c1cnc(NS(=O)(=O)c2ccccc2Cn2cc[nH+]c2)s1 ZINC000545380450 567044617 /nfs/dbraw/zinc/04/46/17/567044617.db2.gz VPRMEAVAKKGWPE-UHFFFAOYSA-N 1 2 376.507 3.486 10 0 GGAELO COc1cc(C[NH2+]Cc2c(F)cncc2Br)cc(OC)c1OC ZINC000657293678 567044986 /nfs/dbraw/zinc/04/49/86/567044986.db2.gz SFHHYGOLTGCXBU-UHFFFAOYSA-N 1 2 385.233 3.299 10 0 GGAELO C[C@@H]([NH2+]Cc1cn(C2CCC2)nn1)c1cc2c(cc1Br)OCCO2 ZINC000657320139 567046023 /nfs/dbraw/zinc/04/60/23/567046023.db2.gz UHBVCANLGKCPKZ-LLVKDONJSA-N 1 2 393.285 3.388 10 0 GGAELO O=C1CCCN1c1cccc(C[NH2+]Cc2c(F)cncc2Br)c1 ZINC000657309821 567046067 /nfs/dbraw/zinc/04/60/67/567046067.db2.gz IOYVRMREUXRHRH-UHFFFAOYSA-N 1 2 378.245 3.400 10 0 GGAELO CCC1(CC)CN(Cc2cn3cc(Br)ccc3[nH+]2)CC[S@]1=O ZINC000613584537 567046141 /nfs/dbraw/zinc/04/61/41/567046141.db2.gz ISDPHBVGBCPOCJ-JOCHJYFZSA-N 1 2 384.343 3.220 10 0 GGAELO COc1cc([C@H](C)[NH2+]Cc2c(F)cncc2Br)ccc1OCCO ZINC000657325920 567046419 /nfs/dbraw/zinc/04/64/19/567046419.db2.gz MTSBTEAULYBRNS-NSHDSACASA-N 1 2 399.260 3.214 10 0 GGAELO COc1ccc(C[NH2+]Cc2c(F)cncc2Br)c(OC)c1OC ZINC000657314731 567047250 /nfs/dbraw/zinc/04/72/50/567047250.db2.gz CEFXVNPJEFNUEV-UHFFFAOYSA-N 1 2 385.233 3.299 10 0 GGAELO CCC1(CC)C[N@H+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC[S@@]1=O ZINC000613584803 567047914 /nfs/dbraw/zinc/04/79/14/567047914.db2.gz MMPQMUJFHCPURD-RZFZLAGVSA-N 1 2 394.364 3.356 10 0 GGAELO CCC1(CC)C[N@@H+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC[S@@]1=O ZINC000613584803 567047919 /nfs/dbraw/zinc/04/79/19/567047919.db2.gz MMPQMUJFHCPURD-RZFZLAGVSA-N 1 2 394.364 3.356 10 0 GGAELO COc1cc(Br)c(C[NH2+]Cc2cn(C3CCC3)nn2)cc1OC ZINC000657351166 567049493 /nfs/dbraw/zinc/04/94/93/567049493.db2.gz LUMPCDMBZYMYSU-UHFFFAOYSA-N 1 2 381.274 3.073 10 0 GGAELO O=C(Nc1nnc(-c2c(F)cccc2Cl)s1)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000613616340 567050426 /nfs/dbraw/zinc/05/04/26/567050426.db2.gz RMGNWEMWUFNXIP-QMMMGPOBSA-N 1 2 377.832 3.464 10 0 GGAELO O=C(Nc1nnc(-c2c(F)cccc2Cl)s1)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000613616340 567050433 /nfs/dbraw/zinc/05/04/33/567050433.db2.gz RMGNWEMWUFNXIP-QMMMGPOBSA-N 1 2 377.832 3.464 10 0 GGAELO C[C@H]([NH2+]Cc1nnc2ccccn21)c1ccccc1I ZINC000545457082 567051944 /nfs/dbraw/zinc/05/19/44/567051944.db2.gz CIVPBBNKBRGIMY-NSHDSACASA-N 1 2 378.217 3.185 10 0 GGAELO C[C@@H]([NH2+][C@@H](C)C(=O)NC[C@@H](C)c1ccccc1)c1ncc(Br)cn1 ZINC000431084605 567052296 /nfs/dbraw/zinc/05/22/96/567052296.db2.gz HDNIQIWVTAXCLA-MCIONIFRSA-N 1 2 391.313 3.198 10 0 GGAELO CCOc1ccccc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ncc(Br)cn1 ZINC000431082059 567052671 /nfs/dbraw/zinc/05/26/71/567052671.db2.gz SJMOJYDCLZDRJL-VXGBXAGGSA-N 1 2 393.285 3.316 10 0 GGAELO COc1ccc(C)cc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ncc(Br)cn1 ZINC000431078386 567052759 /nfs/dbraw/zinc/05/27/59/567052759.db2.gz TZTNJLNVASXYOP-VXGBXAGGSA-N 1 2 393.285 3.234 10 0 GGAELO Cc1c(Br)cncc1CNc1ccc[nH+]c1N1CCC(CO)CC1 ZINC000657415794 567053289 /nfs/dbraw/zinc/05/32/89/567053289.db2.gz HVJGPTBOZVCDQI-UHFFFAOYSA-N 1 2 391.313 3.368 10 0 GGAELO CC(=O)c1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ncc(Br)cn2)cc1 ZINC000431101077 567053377 /nfs/dbraw/zinc/05/33/77/567053377.db2.gz XIXQNEFAGPCTFE-GHMZBOCLSA-N 1 2 391.269 3.120 10 0 GGAELO C[C@@H]([NH2+][C@@H](C)c1ncc(Br)cn1)C(=O)Nc1c(F)cccc1F ZINC000431088223 567053411 /nfs/dbraw/zinc/05/34/11/567053411.db2.gz DGDHZHDKVNTUDD-DTWKUNHWSA-N 1 2 385.212 3.195 10 0 GGAELO Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ncc(Br)cn1 ZINC000431092632 567054200 /nfs/dbraw/zinc/05/42/00/567054200.db2.gz CVUYFITWMPPPLQ-BFHYXJOUSA-N 1 2 391.313 3.464 10 0 GGAELO CCc1ccccc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ncc(Br)cn1 ZINC000431088501 567054300 /nfs/dbraw/zinc/05/43/00/567054300.db2.gz DOEKXVGMNJOXQC-NWDGAFQWSA-N 1 2 377.286 3.479 10 0 GGAELO C[C@H]([NH2+][C@@H]1CCN(c2cccc(Cl)c2)C1=O)c1ncc(Br)cn1 ZINC000431109274 567055078 /nfs/dbraw/zinc/05/50/78/567055078.db2.gz DGBSAQACABWXEP-IINYFYTJSA-N 1 2 395.688 3.349 10 0 GGAELO Cc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ncc(Br)cn2)cc1F ZINC000431105438 567055247 /nfs/dbraw/zinc/05/52/47/567055247.db2.gz YXIFCXSCHJIGLN-GHMZBOCLSA-N 1 2 381.249 3.364 10 0 GGAELO C[C@H]([NH2+][C@@H]1CCCN(c2ccccc2F)C1=O)c1ncc(Br)cn1 ZINC000431111692 567055421 /nfs/dbraw/zinc/05/54/21/567055421.db2.gz MKZUIAMWQHHAGO-SMDDNHRTSA-N 1 2 393.260 3.224 10 0 GGAELO C[C@@H]([NH2+][C@@H]1CCCN(c2ccccc2F)C1=O)c1ncc(Br)cn1 ZINC000431111689 567055433 /nfs/dbraw/zinc/05/54/33/567055433.db2.gz MKZUIAMWQHHAGO-BXUZGUMPSA-N 1 2 393.260 3.224 10 0 GGAELO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ncc(Br)cn2)cc1F ZINC000431105440 567055499 /nfs/dbraw/zinc/05/54/99/567055499.db2.gz YXIFCXSCHJIGLN-QWRGUYRKSA-N 1 2 381.249 3.364 10 0 GGAELO CN1CCCC[C@@H]([N@H+](C)Cc2nc(-c3cc(Br)cs3)no2)C1=O ZINC000634738969 567055747 /nfs/dbraw/zinc/05/57/47/567055747.db2.gz FPDNUQZFTLVIAB-LLVKDONJSA-N 1 2 399.314 3.003 10 0 GGAELO CN1CCCC[C@@H]([N@@H+](C)Cc2nc(-c3cc(Br)cs3)no2)C1=O ZINC000634738969 567055753 /nfs/dbraw/zinc/05/57/53/567055753.db2.gz FPDNUQZFTLVIAB-LLVKDONJSA-N 1 2 399.314 3.003 10 0 GGAELO CCOc1cc(C[N@@H+]2CCO[C@H](C(F)F)CC2)cc(Br)c1O ZINC000634734936 567056266 /nfs/dbraw/zinc/05/62/66/567056266.db2.gz SFJXKHLCKOUQAA-LBPRGKRZSA-N 1 2 380.229 3.409 10 0 GGAELO CCOc1cc(C[N@H+]2CCO[C@H](C(F)F)CC2)cc(Br)c1O ZINC000634734936 567056273 /nfs/dbraw/zinc/05/62/73/567056273.db2.gz SFJXKHLCKOUQAA-LBPRGKRZSA-N 1 2 380.229 3.409 10 0 GGAELO C[C@@H]([NH2+][C@H]1CCN(c2ccc(Cl)cc2)C1=O)c1ncc(Br)cn1 ZINC000431121000 567056760 /nfs/dbraw/zinc/05/67/60/567056760.db2.gz CVWINOIWQSBVAO-YGRLFVJLSA-N 1 2 395.688 3.349 10 0 GGAELO C[C@@H](NC(=O)[C@H](C)[NH2+][C@@H](C)c1ncc(Br)cn1)c1ccc(F)cc1 ZINC000431116852 567056927 /nfs/dbraw/zinc/05/69/27/567056927.db2.gz DVYMSMUOEAGZHM-WOPDTQHZSA-N 1 2 395.276 3.295 10 0 GGAELO Fc1cncc(Br)c1C[NH2+]Cc1cccnc1OCC(F)F ZINC000657422949 567056976 /nfs/dbraw/zinc/05/69/76/567056976.db2.gz SGXDCTJQNKQCCE-UHFFFAOYSA-N 1 2 376.176 3.312 10 0 GGAELO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(F)cc1F)c1ncc(Br)cn1 ZINC000431128577 567056967 /nfs/dbraw/zinc/05/69/67/567056967.db2.gz SEZCNEZGBDGCMU-BDAKNGLRSA-N 1 2 385.212 3.195 10 0 GGAELO C[C@H]([NH2+][C@H]1CCN(c2ccc(Cl)cc2)C1=O)c1ncc(Br)cn1 ZINC000431120997 567057003 /nfs/dbraw/zinc/05/70/03/567057003.db2.gz CVWINOIWQSBVAO-HZMBPMFUSA-N 1 2 395.688 3.349 10 0 GGAELO CCN(C(=O)[C@H](C)[NH2+][C@H](C)c1ncc(Br)cn1)C1CCCCC1 ZINC000431124529 567057064 /nfs/dbraw/zinc/05/70/64/567057064.db2.gz GTPWHSXOZTZLPJ-OLZOCXBDSA-N 1 2 383.334 3.459 10 0 GGAELO C[C@@H]([NH2+][C@@H](C)c1ncc(Br)cn1)C(=O)Nc1ccc(F)cc1F ZINC000431128579 567057098 /nfs/dbraw/zinc/05/70/98/567057098.db2.gz SEZCNEZGBDGCMU-DTWKUNHWSA-N 1 2 385.212 3.195 10 0 GGAELO C[C@@H]([NH2+][C@H]1CCCN(c2ccccc2)C1=O)c1ncc(Br)cn1 ZINC000431139605 567058821 /nfs/dbraw/zinc/05/88/21/567058821.db2.gz OMNWYKLUZCLTNI-DOMZBBRYSA-N 1 2 375.270 3.085 10 0 GGAELO C[C@@H](C(=O)N1CCc2cc(Br)c(Cl)cc21)[NH+]1CCSCC1 ZINC000682570246 567059512 /nfs/dbraw/zinc/05/95/12/567059512.db2.gz KHQVMJFZTHYRHA-JTQLQIEISA-N 1 2 389.746 3.429 10 0 GGAELO CC[N@@H+]1CC[C@@H](NC(=O)Cn2cc(Cl)cn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000584673525 567059608 /nfs/dbraw/zinc/05/96/08/567059608.db2.gz OCCCFILFBGZXKQ-WBVHZDCISA-N 1 2 385.270 3.281 10 0 GGAELO CC[N@H+]1CC[C@@H](NC(=O)Cn2cc(Cl)cn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000584673525 567059612 /nfs/dbraw/zinc/05/96/12/567059612.db2.gz OCCCFILFBGZXKQ-WBVHZDCISA-N 1 2 385.270 3.281 10 0 GGAELO CCS(=O)(=O)CCCCC[NH+]1CCN(c2nccc3sccc32)CC1 ZINC000584678104 567059765 /nfs/dbraw/zinc/05/97/65/567059765.db2.gz CVUYIWSCZRAMHF-UHFFFAOYSA-N 1 2 381.567 3.023 10 0 GGAELO C[C@H](C(=O)N1CCc2cc(Br)c(Cl)cc21)[NH+]1CCSCC1 ZINC000682570247 567059747 /nfs/dbraw/zinc/05/97/47/567059747.db2.gz KHQVMJFZTHYRHA-SNVBAGLBSA-N 1 2 389.746 3.429 10 0 GGAELO COc1cc(Br)ccc1[C@@H](C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000682586758 567060436 /nfs/dbraw/zinc/06/04/36/567060436.db2.gz HRFMUSSYTKCKPY-VXGBXAGGSA-N 1 2 378.270 3.094 10 0 GGAELO COCCOCc1ccc(C[NH2+]Cc2c(F)cncc2Br)cc1 ZINC000657470996 567060702 /nfs/dbraw/zinc/06/07/02/567060702.db2.gz XYTZAHXBMGCXHL-UHFFFAOYSA-N 1 2 383.261 3.436 10 0 GGAELO OC[C@@H]([NH2+]Cc1nc(-c2cccc(Br)c2)no1)c1ccsc1 ZINC000473169969 567066095 /nfs/dbraw/zinc/06/60/95/567066095.db2.gz KTXBFNTVZNJNGP-CYBMUJFWSA-N 1 2 380.267 3.384 10 0 GGAELO OC[C@@H]([NH2+]Cc1nc(-c2cc(Br)cs2)no1)c1ccsc1 ZINC000473177391 567067756 /nfs/dbraw/zinc/06/77/56/567067756.db2.gz NHQKQEANBGFSHN-SNVBAGLBSA-N 1 2 386.296 3.445 10 0 GGAELO Cc1sc(NC(=O)C[N@@H+]2C[C@@H](O)C3(CC3)C2)nc1-c1ccc(Cl)cc1 ZINC000584756714 567069144 /nfs/dbraw/zinc/06/91/44/567069144.db2.gz RODFHWOPBODUIU-CQSZACIVSA-N 1 2 377.897 3.167 10 0 GGAELO Cc1sc(NC(=O)C[N@H+]2C[C@@H](O)C3(CC3)C2)nc1-c1ccc(Cl)cc1 ZINC000584756714 567069152 /nfs/dbraw/zinc/06/91/52/567069152.db2.gz RODFHWOPBODUIU-CQSZACIVSA-N 1 2 377.897 3.167 10 0 GGAELO CCOc1c(Br)cc(C[NH2+][C@H]2C[C@H](C)n3ncnc32)cc1OC ZINC000657567494 567070430 /nfs/dbraw/zinc/07/04/30/567070430.db2.gz RRGHZJFRNJLFDO-GWCFXTLKSA-N 1 2 381.274 3.244 10 0 GGAELO Cc1nn(-c2ccccc2Br)cc1C[NH2+][C@H]1C[C@H](C)n2ncnc21 ZINC000657570902 567070954 /nfs/dbraw/zinc/07/09/54/567070954.db2.gz UXGPHPPWQOEGRU-NHYWBVRUSA-N 1 2 387.285 3.330 10 0 GGAELO O=C(N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000613903254 567071150 /nfs/dbraw/zinc/07/11/50/567071150.db2.gz YUAFNURHMPFDKD-AAEUAGOBSA-N 1 2 379.291 3.217 10 0 GGAELO O=C(N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000613903254 567071156 /nfs/dbraw/zinc/07/11/56/567071156.db2.gz YUAFNURHMPFDKD-AAEUAGOBSA-N 1 2 379.291 3.217 10 0 GGAELO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@@H]1C[C@@H](C)n2ncnc21 ZINC000657571237 567071322 /nfs/dbraw/zinc/07/13/22/567071322.db2.gz XFIABHRMIOZCGI-BDJLRTHQSA-N 1 2 387.285 3.330 10 0 GGAELO C[C@H]1CN(C(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)CCC1=O ZINC000473266329 567072395 /nfs/dbraw/zinc/07/23/95/567072395.db2.gz UZSDCBFUPDBEGA-GUYCJALGSA-N 1 2 379.298 3.024 10 0 GGAELO COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]Cc1nn(C)cc1Br ZINC000453304158 567073321 /nfs/dbraw/zinc/07/33/21/567073321.db2.gz FCHLXKCXSFRAIG-JTQLQIEISA-N 1 2 381.274 3.000 10 0 GGAELO Cc1ccc([C@H](CCn2cncn2)[NH2+]Cc2nn(C)cc2Br)cc1 ZINC000453310007 567074707 /nfs/dbraw/zinc/07/47/07/567074707.db2.gz QMGJBPHVSIVZFB-INIZCTEOSA-N 1 2 389.301 3.004 10 0 GGAELO CCOC(=O)[C@H]1CC[C@H]([NH2+]Cc2nn(C)cc2Br)c2ccccc21 ZINC000453314935 567074890 /nfs/dbraw/zinc/07/48/90/567074890.db2.gz YXHHRVRIDYNLTB-HOCLYGCPSA-N 1 2 392.297 3.454 10 0 GGAELO Cn1c[nH+]cc1Cc1noc(CCCOc2cccc(Br)c2)n1 ZINC000545845492 567079500 /nfs/dbraw/zinc/07/95/00/567079500.db2.gz ZGOBSBOSFISDAO-UHFFFAOYSA-N 1 2 377.242 3.168 10 0 GGAELO COc1ccnc(C[NH2+]Cc2cc(OC)c(OC)cc2Br)c1F ZINC000657673014 567082957 /nfs/dbraw/zinc/08/29/57/567082957.db2.gz MJEVESMWUMPOHR-UHFFFAOYSA-N 1 2 385.233 3.299 10 0 GGAELO O=C(NCCc1cc(Cl)ccc1Br)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000565632310 567084768 /nfs/dbraw/zinc/08/47/68/567084768.db2.gz WOARELVJKWHDMQ-GFCCVEGCSA-N 1 2 397.704 3.225 10 0 GGAELO O=C(NCCc1cc(Cl)ccc1Br)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000565632310 567084773 /nfs/dbraw/zinc/08/47/73/567084773.db2.gz WOARELVJKWHDMQ-GFCCVEGCSA-N 1 2 397.704 3.225 10 0 GGAELO CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635187250 567085662 /nfs/dbraw/zinc/08/56/62/567085662.db2.gz TWKZIEZLRPDFLY-GHMZBOCLSA-N 1 2 381.263 3.307 10 0 GGAELO CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635187250 567085671 /nfs/dbraw/zinc/08/56/71/567085671.db2.gz TWKZIEZLRPDFLY-GHMZBOCLSA-N 1 2 381.263 3.307 10 0 GGAELO CCc1ncc(C[NH2+][C@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)o1 ZINC000453401259 567086785 /nfs/dbraw/zinc/08/67/85/567086785.db2.gz ZBMUQAVDYNCXIQ-MRVPVSSYSA-N 1 2 378.281 3.042 10 0 GGAELO Cc1cc[nH+]cc1N1CCN(C(=O)NCc2ccccc2Br)CC1 ZINC000497216347 567086968 /nfs/dbraw/zinc/08/69/68/567086968.db2.gz VZGAAAPPQJOVOH-UHFFFAOYSA-N 1 2 389.297 3.184 10 0 GGAELO CC(C)(CNC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)c1cccc(Br)c1 ZINC000521948165 567088448 /nfs/dbraw/zinc/08/84/48/567088448.db2.gz YVJKYKHEWFQYKW-CQSZACIVSA-N 1 2 391.313 3.307 10 0 GGAELO CC(C)(CNC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)c1cccc(Br)c1 ZINC000521948165 567088451 /nfs/dbraw/zinc/08/84/51/567088451.db2.gz YVJKYKHEWFQYKW-CQSZACIVSA-N 1 2 391.313 3.307 10 0 GGAELO COCCN(Cc1sccc1Br)C(=O)CCCn1cc[nH+]c1 ZINC000682993396 567089257 /nfs/dbraw/zinc/08/92/57/567089257.db2.gz GTWPCHMROOUYAU-UHFFFAOYSA-N 1 2 386.315 3.163 10 0 GGAELO Cn1c[nH+]cc1CNc1nc(C(F)(F)F)ccc1I ZINC000565687618 567089358 /nfs/dbraw/zinc/08/93/58/567089358.db2.gz LRVUOIWMGUUYHH-UHFFFAOYSA-N 1 2 382.127 3.051 10 0 GGAELO CC[C@@H]1Cc2c(Br)cccc2C[N@@H+]1CC1CCS(=O)(=O)CC1 ZINC000565696841 567091071 /nfs/dbraw/zinc/09/10/71/567091071.db2.gz ULUFLHAEEDKGNZ-OAHLLOKOSA-N 1 2 386.355 3.411 10 0 GGAELO CC[C@@H]1Cc2c(Br)cccc2C[N@H+]1CC1CCS(=O)(=O)CC1 ZINC000565696841 567091078 /nfs/dbraw/zinc/09/10/78/567091078.db2.gz ULUFLHAEEDKGNZ-OAHLLOKOSA-N 1 2 386.355 3.411 10 0 GGAELO O=C(Nc1ccc2[nH+]ccn2c1)N(CCO)Cc1ccc(Br)s1 ZINC000683030878 567092538 /nfs/dbraw/zinc/09/25/38/567092538.db2.gz FNUVCUGIADIWDF-UHFFFAOYSA-N 1 2 395.282 3.185 10 0 GGAELO Cc1cn2c([nH+]1)CN(C(=O)Nc1cc(I)ccc1C)CC2 ZINC000614225517 567094858 /nfs/dbraw/zinc/09/48/58/567094858.db2.gz SXPJQOVGRVIZBI-UHFFFAOYSA-N 1 2 396.232 3.152 10 0 GGAELO O=C1C[C@@H](c2ccccc2)[N@H+](Cc2cn3cc(Br)ccc3n2)CCN1 ZINC000586768099 567094823 /nfs/dbraw/zinc/09/48/23/567094823.db2.gz VWBDIQBMMBGKFL-KRWDZBQOSA-N 1 2 399.292 3.160 10 0 GGAELO O=C1C[C@@H](c2ccccc2)[N@@H+](Cc2cn3cc(Br)ccc3n2)CCN1 ZINC000586768099 567094832 /nfs/dbraw/zinc/09/48/32/567094832.db2.gz VWBDIQBMMBGKFL-KRWDZBQOSA-N 1 2 399.292 3.160 10 0 GGAELO CCc1nnc(C[NH2+][C@](C)(CC(=O)OC)c2ccc(Br)cc2)s1 ZINC000586782553 567096711 /nfs/dbraw/zinc/09/67/11/567096711.db2.gz YZXJHIVCHDLQCY-MRXNPFEDSA-N 1 2 398.326 3.431 10 0 GGAELO Cc1cccn2cc(C[N@H+](CCO)Cc3cc(Br)cs3)nc12 ZINC000683144623 567097589 /nfs/dbraw/zinc/09/75/89/567097589.db2.gz QDPAZVORQABZFA-UHFFFAOYSA-N 1 2 380.311 3.461 10 0 GGAELO Cc1cccn2cc(C[N@@H+](CCO)Cc3cc(Br)cs3)nc12 ZINC000683144623 567097593 /nfs/dbraw/zinc/09/75/93/567097593.db2.gz QDPAZVORQABZFA-UHFFFAOYSA-N 1 2 380.311 3.461 10 0 GGAELO Cc1cccn2cc(CN(CCO)Cc3cc(Br)cs3)[nH+]c12 ZINC000683144623 567097597 /nfs/dbraw/zinc/09/75/97/567097597.db2.gz QDPAZVORQABZFA-UHFFFAOYSA-N 1 2 380.311 3.461 10 0 GGAELO O=C(Nc1nnc(SCc2ccc(F)cc2)s1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635405112 567098221 /nfs/dbraw/zinc/09/82/21/567098221.db2.gz FMPCFMITKKSZLN-VXGBXAGGSA-N 1 2 375.454 3.435 10 0 GGAELO O=C(Nc1nnc(SCc2ccc(F)cc2)s1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635405112 567098228 /nfs/dbraw/zinc/09/82/28/567098228.db2.gz FMPCFMITKKSZLN-VXGBXAGGSA-N 1 2 375.454 3.435 10 0 GGAELO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1c(Cl)cccc1OC(F)F ZINC000614255868 567098467 /nfs/dbraw/zinc/09/84/67/567098467.db2.gz IABHWXQXKQUGCT-NWDGAFQWSA-N 1 2 377.815 3.484 10 0 GGAELO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@H+]1Cc1c(Cl)cccc1OC(F)F ZINC000614255868 567098481 /nfs/dbraw/zinc/09/84/81/567098481.db2.gz IABHWXQXKQUGCT-NWDGAFQWSA-N 1 2 377.815 3.484 10 0 GGAELO CCOC(=O)C[C@H]1C[C@H](OC)C[N@@H+]1Cc1c(Cl)cccc1OC(F)F ZINC000614255859 567098773 /nfs/dbraw/zinc/09/87/73/567098773.db2.gz IABHWXQXKQUGCT-NEPJUHHUSA-N 1 2 377.815 3.484 10 0 GGAELO CCOC(=O)C[C@H]1C[C@H](OC)C[N@H+]1Cc1c(Cl)cccc1OC(F)F ZINC000614255859 567098779 /nfs/dbraw/zinc/09/87/79/567098779.db2.gz IABHWXQXKQUGCT-NEPJUHHUSA-N 1 2 377.815 3.484 10 0 GGAELO O=C(N1CC[NH+](CCOc2ccccc2Cl)CC1)C1(C(F)(F)F)CC1 ZINC000586812973 567099167 /nfs/dbraw/zinc/09/91/67/567099167.db2.gz FFWXXLBQTYUORF-UHFFFAOYSA-N 1 2 376.806 3.206 10 0 GGAELO O=C(N1CC[NH+](CCOc2ccc(Cl)cc2)CC1)C1(C(F)(F)F)CC1 ZINC000586812644 567100132 /nfs/dbraw/zinc/10/01/32/567100132.db2.gz JOKMQTMZFVYYNM-UHFFFAOYSA-N 1 2 376.806 3.206 10 0 GGAELO Cc1cn2cc(NC(=O)c3cc(=O)c4cc(Br)ccc4[nH]3)ccc2[nH+]1 ZINC000522153049 567102085 /nfs/dbraw/zinc/10/20/85/567102085.db2.gz MWXJFCBWAKSDBX-UHFFFAOYSA-N 1 2 397.232 3.499 10 0 GGAELO COCCN(Cc1ccc(Br)s1)C(=O)CCCn1cc[nH+]c1 ZINC000683179212 567102508 /nfs/dbraw/zinc/10/25/08/567102508.db2.gz DWUUTQVTPBSCMG-UHFFFAOYSA-N 1 2 386.315 3.163 10 0 GGAELO CCCCCS(=O)(=O)N[C@@H]1CC[N@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000546073962 567103702 /nfs/dbraw/zinc/10/37/02/567103702.db2.gz JDOINWUFOWEZFW-WBVHZDCISA-N 1 2 378.460 3.349 10 0 GGAELO CCCCCS(=O)(=O)N[C@@H]1CC[N@@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000546073962 567103707 /nfs/dbraw/zinc/10/37/07/567103707.db2.gz JDOINWUFOWEZFW-WBVHZDCISA-N 1 2 378.460 3.349 10 0 GGAELO Cc1ccsc1-c1nc(=NC(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)s[nH]1 ZINC000473819124 567104647 /nfs/dbraw/zinc/10/46/47/567104647.db2.gz MYANGDLUVZEPOV-STQMWFEESA-N 1 2 379.555 3.381 10 0 GGAELO Cc1ccsc1-c1nc(=NC(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)s[nH]1 ZINC000473827422 567104725 /nfs/dbraw/zinc/10/47/25/567104725.db2.gz HUJPUPYGHVBRMJ-YPMHNXCESA-N 1 2 379.555 3.239 10 0 GGAELO Cc1ccsc1-c1nc(=NC(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)s[nH]1 ZINC000473827422 567104730 /nfs/dbraw/zinc/10/47/30/567104730.db2.gz HUJPUPYGHVBRMJ-YPMHNXCESA-N 1 2 379.555 3.239 10 0 GGAELO C[N@H+](CC(=O)N1CCO[C@H]2CCCC[C@H]21)Cc1cc(Br)ccc1F ZINC000522196999 567104923 /nfs/dbraw/zinc/10/49/23/567104923.db2.gz LIENBBZYFOWUKR-SJORKVTESA-N 1 2 399.304 3.190 10 0 GGAELO C[N@@H+](CC(=O)N1CCO[C@H]2CCCC[C@H]21)Cc1cc(Br)ccc1F ZINC000522196999 567104933 /nfs/dbraw/zinc/10/49/33/567104933.db2.gz LIENBBZYFOWUKR-SJORKVTESA-N 1 2 399.304 3.190 10 0 GGAELO Cc1cc(C)n([C@H](C)C(=O)NCc2cn3cc(Br)cc(C)c3[nH+]2)n1 ZINC000546113274 567105526 /nfs/dbraw/zinc/10/55/26/567105526.db2.gz VCTKKVARAOFXDS-CYBMUJFWSA-N 1 2 390.285 3.096 10 0 GGAELO CCN(CCOc1ccc(Br)cc1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635611280 567105810 /nfs/dbraw/zinc/10/58/10/567105810.db2.gz NKAWPJWVZDPLLX-HUUCEWRRSA-N 1 2 378.270 3.203 10 0 GGAELO CCN(CCOc1ccc(Br)cc1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635611280 567105817 /nfs/dbraw/zinc/10/58/17/567105817.db2.gz NKAWPJWVZDPLLX-HUUCEWRRSA-N 1 2 378.270 3.203 10 0 GGAELO O=C(N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000614358929 567106374 /nfs/dbraw/zinc/10/63/74/567106374.db2.gz AYPIQFQZFJKTTF-JHJVBQTASA-N 1 2 392.272 3.479 10 0 GGAELO O=C(N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000614358929 567106379 /nfs/dbraw/zinc/10/63/79/567106379.db2.gz AYPIQFQZFJKTTF-JHJVBQTASA-N 1 2 392.272 3.479 10 0 GGAELO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1Cc1cccc(I)c1 ZINC000565907526 567109907 /nfs/dbraw/zinc/10/99/07/567109907.db2.gz RKHQHEAMEWKKLH-OAHLLOKOSA-N 1 2 386.277 3.124 10 0 GGAELO CCN(CC)C(=O)[C@H]1CCC[N@H+]1Cc1cccc(I)c1 ZINC000565907526 567109909 /nfs/dbraw/zinc/10/99/09/567109909.db2.gz RKHQHEAMEWKKLH-OAHLLOKOSA-N 1 2 386.277 3.124 10 0 GGAELO CO[C@@H](c1ccc(Br)cc1)[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635763582 567111641 /nfs/dbraw/zinc/11/16/41/567111641.db2.gz BGUBOCRJWCBRDM-DVUFPGTOSA-N 1 2 378.270 3.168 10 0 GGAELO CO[C@@H](c1ccc(Br)cc1)[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635763582 567111644 /nfs/dbraw/zinc/11/16/44/567111644.db2.gz BGUBOCRJWCBRDM-DVUFPGTOSA-N 1 2 378.270 3.168 10 0 GGAELO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635763584 567111722 /nfs/dbraw/zinc/11/17/22/567111722.db2.gz BGUBOCRJWCBRDM-YDEYXMKJSA-N 1 2 378.270 3.168 10 0 GGAELO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635763584 567111726 /nfs/dbraw/zinc/11/17/26/567111726.db2.gz BGUBOCRJWCBRDM-YDEYXMKJSA-N 1 2 378.270 3.168 10 0 GGAELO CCOCCOc1ccc(Br)cc1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635780749 567111837 /nfs/dbraw/zinc/11/18/37/567111837.db2.gz SMRAKOYHUVZJLI-CHWSQXEVSA-N 1 2 394.269 3.330 10 0 GGAELO CCOCCOc1ccc(Br)cc1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635780749 567111840 /nfs/dbraw/zinc/11/18/40/567111840.db2.gz SMRAKOYHUVZJLI-CHWSQXEVSA-N 1 2 394.269 3.330 10 0 GGAELO COc1cc[nH+]cc1CNC(=O)N[C@@H](C)Cc1ccc(Br)cc1 ZINC000431844858 567112110 /nfs/dbraw/zinc/11/21/10/567112110.db2.gz NBWLBXKNJAKZHI-LBPRGKRZSA-N 1 2 378.270 3.283 10 0 GGAELO COc1cc[nH+]cc1CNC(=O)NCc1c(C)cc(Br)cc1C ZINC000431871987 567114106 /nfs/dbraw/zinc/11/41/06/567114106.db2.gz XPEPSXBCEHUKIR-UHFFFAOYSA-N 1 2 378.270 3.469 10 0 GGAELO C[C@H]([NH2+]Cc1ccc2c(c1)sc(=O)n2C)c1ncc(Br)cn1 ZINC000565966276 567114812 /nfs/dbraw/zinc/11/48/12/567114812.db2.gz DZPIJHPYEROCCC-VIFPVBQESA-N 1 2 379.283 3.003 10 0 GGAELO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCC[C@@H](Nc2cccc(Br)c2)C1 ZINC000635874342 567117619 /nfs/dbraw/zinc/11/76/19/567117619.db2.gz NJGQEUPAMGJOTP-BZUAXINKSA-N 1 2 389.297 3.379 10 0 GGAELO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCC[C@@H](Nc2cccc(Br)c2)C1 ZINC000635874342 567117628 /nfs/dbraw/zinc/11/76/28/567117628.db2.gz NJGQEUPAMGJOTP-BZUAXINKSA-N 1 2 389.297 3.379 10 0 GGAELO O=C1[C@@H]([N@@H+]2CCC[C@@H](OC(F)F)C2)CCN1c1cccc(Br)c1 ZINC000683370214 567119182 /nfs/dbraw/zinc/11/91/82/567119182.db2.gz XTHWFGXDGIRLMN-KGLIPLIRSA-N 1 2 389.240 3.258 10 0 GGAELO O=C1[C@@H]([N@H+]2CCC[C@@H](OC(F)F)C2)CCN1c1cccc(Br)c1 ZINC000683370214 567119189 /nfs/dbraw/zinc/11/91/89/567119189.db2.gz XTHWFGXDGIRLMN-KGLIPLIRSA-N 1 2 389.240 3.258 10 0 GGAELO C[C@H]([NH2+][C@H]1Cc2ccccc2N(C)C1=O)c1ncc(Br)cc1F ZINC000658110135 567121918 /nfs/dbraw/zinc/12/19/18/567121918.db2.gz YIJLUUNDLAHZBH-HZMBPMFUSA-N 1 2 378.245 3.222 10 0 GGAELO C[C@@H](c1ccccc1Cl)[NH+]1CCN(C(=O)CCn2cc(Cl)cn2)CC1 ZINC000614578986 567123248 /nfs/dbraw/zinc/12/32/48/567123248.db2.gz WABIVTOQDUJYRA-AWEZNQCLSA-N 1 2 381.307 3.485 10 0 GGAELO CCc1ccc(S(=O)(=O)NCc2ccc(N3CCC(C)CC3)[nH+]c2)s1 ZINC000614607632 567126575 /nfs/dbraw/zinc/12/65/75/567126575.db2.gz YJCWBDZNBVVBDJ-UHFFFAOYSA-N 1 2 379.551 3.420 10 0 GGAELO Cc1cn2c([nH+]1)CN(C(=O)Nc1cc(C)cc(I)c1)CC2 ZINC000588328650 567127078 /nfs/dbraw/zinc/12/70/78/567127078.db2.gz FKGNQRIVFIUAPF-UHFFFAOYSA-N 1 2 396.232 3.152 10 0 GGAELO O=C(c1cc(F)c(O)c(Cl)c1)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000614672692 567132028 /nfs/dbraw/zinc/13/20/28/567132028.db2.gz XXJIMKBVCZJJTI-UHFFFAOYSA-N 1 2 383.876 3.419 10 0 GGAELO Cc1ccc(CC(=O)N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)s1 ZINC000497913282 567132689 /nfs/dbraw/zinc/13/26/89/567132689.db2.gz PBXYXACCOYLJIK-UHFFFAOYSA-N 1 2 378.925 3.476 10 0 GGAELO Cc1c([C@H](C)N[C@H](C)c2[nH+]ccn2C)nnn1-c1cccc(Br)c1 ZINC000658334733 567135428 /nfs/dbraw/zinc/13/54/28/567135428.db2.gz ASRUHBQIHSRIIE-NWDGAFQWSA-N 1 2 389.301 3.484 10 0 GGAELO C[C@@H]([NH2+]CC(F)(F)C(C)(C)C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000658340162 567135785 /nfs/dbraw/zinc/13/57/85/567135785.db2.gz YOWJPOJGADZNRB-SECBINFHSA-N 1 2 399.301 3.429 10 0 GGAELO Cc1nc(N2CC[C@@H](Cc3ccc(Br)cc3)C2)nc(N(C)C)[nH+]1 ZINC000432175702 567136143 /nfs/dbraw/zinc/13/61/43/567136143.db2.gz JVMAGECHEQYLNM-AWEZNQCLSA-N 1 2 376.302 3.078 10 0 GGAELO Cc1nc(N(C)C)nc(N2CC[C@@H](Cc3ccc(Br)cc3)C2)[nH+]1 ZINC000432175702 567136149 /nfs/dbraw/zinc/13/61/49/567136149.db2.gz JVMAGECHEQYLNM-AWEZNQCLSA-N 1 2 376.302 3.078 10 0 GGAELO Cn1c[nH+]cc1Cc1noc(-c2ccc(-n3cc(Br)cn3)cc2)n1 ZINC000546551266 567136130 /nfs/dbraw/zinc/13/61/30/567136130.db2.gz RWIMEBRCWZELRS-UHFFFAOYSA-N 1 2 385.225 3.009 10 0 GGAELO COc1cc[nH+]cc1CNC(=O)N1CCc2cc(Br)cc(C)c2C1 ZINC000432237803 567139855 /nfs/dbraw/zinc/13/98/55/567139855.db2.gz KYGMMYIDBJASHV-UHFFFAOYSA-N 1 2 390.281 3.429 10 0 GGAELO CN(C)c1ccc(Cl)cc1NC(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000523032884 567142312 /nfs/dbraw/zinc/14/23/12/567142312.db2.gz ZXDKAVLWOVYOSI-UHFFFAOYSA-N 1 2 375.782 3.487 10 0 GGAELO CC[NH+]1CCN(C(=O)[C@H](C)SCc2nc(-c3ccsc3)oc2C)CC1 ZINC000588913070 567144355 /nfs/dbraw/zinc/14/43/55/567144355.db2.gz DHBDWGGKVHKSCV-AWEZNQCLSA-N 1 2 379.551 3.497 10 0 GGAELO O=C(NCCc1c[nH]c2cccc(Br)c12)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000614980379 567150229 /nfs/dbraw/zinc/15/02/29/567150229.db2.gz BVAIDFYFPMQHLM-LLVKDONJSA-N 1 2 387.281 3.117 10 0 GGAELO O=C(NCCc1c[nH]c2cccc(Br)c12)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000614980379 567150239 /nfs/dbraw/zinc/15/02/39/567150239.db2.gz BVAIDFYFPMQHLM-LLVKDONJSA-N 1 2 387.281 3.117 10 0 GGAELO Cn1ncc(Br)c1C[NH2+][C@](C)(CO)c1cccc(C(F)(F)F)c1 ZINC000683770315 567153206 /nfs/dbraw/zinc/15/32/06/567153206.db2.gz SXMSTCOTDIMYMK-CQSZACIVSA-N 1 2 392.219 3.199 10 0 GGAELO Cc1ccsc1-c1nc(=NC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)s[nH]1 ZINC000546744847 567153179 /nfs/dbraw/zinc/15/31/79/567153179.db2.gz TZNXLQISURSVGE-LBPRGKRZSA-N 1 2 393.563 3.483 10 0 GGAELO Cn1ncc(Br)c1C[NH2+]Cc1ccc(Br)cc1F ZINC000683769416 567153766 /nfs/dbraw/zinc/15/37/66/567153766.db2.gz TVZMFCQYINGQAW-UHFFFAOYSA-N 1 2 377.055 3.374 10 0 GGAELO O=C(Cc1cscc1Br)NC1CCN(c2cccc[nH+]2)CC1 ZINC000432393308 567156026 /nfs/dbraw/zinc/15/60/26/567156026.db2.gz UOKFPYABWWZXPL-UHFFFAOYSA-N 1 2 380.311 3.233 10 0 GGAELO CC(=O)N1CCCCC[C@H]1C1CC[NH+](Cc2c(Br)cnn2C)CC1 ZINC000683830073 567156929 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C[C@H](Oc1ccc(F)cc1Cl)C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000498254098 567163451 /nfs/dbraw/zinc/16/34/51/567163451.db2.gz PKANINPQRRIWJA-VIFPVBQESA-N 1 2 379.741 3.322 10 0 GGAELO CN(C)S(=O)(=O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000566529299 567164280 /nfs/dbraw/zinc/16/42/80/567164280.db2.gz MYANGRPCOKSQHQ-GFCCVEGCSA-N 1 2 384.851 3.215 10 0 GGAELO CN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000566529299 567164288 /nfs/dbraw/zinc/16/42/88/567164288.db2.gz MYANGRPCOKSQHQ-GFCCVEGCSA-N 1 2 384.851 3.215 10 0 GGAELO CC(C)Sc1ccc(Cl)cc1NC(=O)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000658920857 567169195 /nfs/dbraw/zinc/16/91/95/567169195.db2.gz WDQRVYCKYRHXQW-LLVKDONJSA-N 1 2 380.901 3.390 10 0 GGAELO CC(C)Sc1ccc(Cl)cc1NC(=O)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000658920859 567170132 /nfs/dbraw/zinc/17/01/32/567170132.db2.gz WDQRVYCKYRHXQW-NSHDSACASA-N 1 2 380.901 3.390 10 0 GGAELO Cc1cc(S(=O)(=O)NCc2ccc(N3CCC(C)CC3)[nH+]c2)c(C)s1 ZINC000615247412 567173668 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Cn1c[nH+]c(CCNC(=O)N(Cc2csc(Br)c2)C2CC2)c1 ZINC000566723893 567183373 /nfs/dbraw/zinc/18/33/73/567183373.db2.gz CDFLSPBVXSZXMD-UHFFFAOYSA-N 1 2 383.315 3.161 10 0 GGAELO O=C([C@H]1CCc2[nH+]c[nH]c2C1)N1CCc2c(F)ccc(Br)c2C1 ZINC000615453604 567185338 /nfs/dbraw/zinc/18/53/38/567185338.db2.gz NYRSKJMPMSOOJC-JTQLQIEISA-N 1 2 378.245 3.001 10 0 GGAELO O=C([C@H]1CCc2[nH]c[nH+]c2C1)N1CCc2c(F)ccc(Br)c2C1 ZINC000615453604 567185344 /nfs/dbraw/zinc/18/53/44/567185344.db2.gz NYRSKJMPMSOOJC-JTQLQIEISA-N 1 2 378.245 3.001 10 0 GGAELO O=C(NCCc1cn2c([nH+]1)CCCC2)NCc1cc(F)cc(Br)c1 ZINC000615449614 567185401 /nfs/dbraw/zinc/18/54/01/567185401.db2.gz ZICFPZKHMISWHX-UHFFFAOYSA-N 1 2 395.276 3.163 10 0 GGAELO O[C@H](COCc1ccccc1)C[N@@H+]1CCOc2c(Br)cccc2C1 ZINC000684208204 567186110 /nfs/dbraw/zinc/18/61/10/567186110.db2.gz CSVHFYWDYZEHSS-KRWDZBQOSA-N 1 2 392.293 3.221 10 0 GGAELO O[C@H](COCc1ccccc1)C[N@H+]1CCOc2c(Br)cccc2C1 ZINC000684208204 567186116 /nfs/dbraw/zinc/18/61/16/567186116.db2.gz 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CC(C)Cc1nnc(NC(=O)c2sc3c(c2Br)C[NH2+]C3)s1 ZINC000659263216 567196244 /nfs/dbraw/zinc/19/62/44/567196244.db2.gz UKQNUCCNKKFSJK-UHFFFAOYSA-N 1 2 387.328 3.416 10 0 GGAELO CCn1cc[nH+]c1CNC(=O)NCCc1cc(Cl)ccc1Br ZINC000454696510 567196731 /nfs/dbraw/zinc/19/67/31/567196731.db2.gz REUQLHHQOITHHW-UHFFFAOYSA-N 1 2 385.693 3.361 10 0 GGAELO CC(C)(C)c1nnc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)[nH]1 ZINC000432833877 567196840 /nfs/dbraw/zinc/19/68/40/567196840.db2.gz YZSDWDCBURHZLT-UHFFFAOYSA-N 1 2 392.345 3.183 10 0 GGAELO CCOC(=O)c1csc(C[NH+]2CCC(n3cc(Br)cn3)CC2)n1 ZINC000432833316 567196888 /nfs/dbraw/zinc/19/68/88/567196888.db2.gz WAEUVZAUNWGUOE-UHFFFAOYSA-N 1 2 399.314 3.116 10 0 GGAELO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1Cc1c(Br)cccc1C(=O)OC ZINC000432834792 567197094 /nfs/dbraw/zinc/19/70/94/567197094.db2.gz KYVKONDKEJDMRS-INIZCTEOSA-N 1 2 397.313 3.069 10 0 GGAELO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1Cc1c(Br)cccc1C(=O)OC ZINC000432834792 567197098 /nfs/dbraw/zinc/19/70/98/567197098.db2.gz 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567204409 /nfs/dbraw/zinc/20/44/09/567204409.db2.gz XWBYFXNRLQWPJR-UHFFFAOYSA-N 1 2 379.913 3.291 10 0 GGAELO Brc1ccccc1CCNc1cc(N2CCSCC2)nc[nH+]1 ZINC000432921805 567204815 /nfs/dbraw/zinc/20/48/15/567204815.db2.gz GRPXMCXRRALMOK-UHFFFAOYSA-N 1 2 379.327 3.447 10 0 GGAELO Brc1ccccc1CCNc1cc(N2CCSCC2)[nH+]cn1 ZINC000432921805 567204824 /nfs/dbraw/zinc/20/48/24/567204824.db2.gz GRPXMCXRRALMOK-UHFFFAOYSA-N 1 2 379.327 3.447 10 0 GGAELO Cc1cc(Br)ccc1C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000590048450 567204849 /nfs/dbraw/zinc/20/48/49/567204849.db2.gz GADCLCRRDYMCFF-UHFFFAOYSA-N 1 2 376.176 3.446 10 0 GGAELO O=C(NCc1[nH+]ccn1CC(F)(F)F)c1cc(F)ccc1Br ZINC000590050436 567205749 /nfs/dbraw/zinc/20/57/49/567205749.db2.gz QSBUUXUCRAAZQU-UHFFFAOYSA-N 1 2 380.139 3.277 10 0 GGAELO Brc1cccc2c1OCC[N@H+](Cc1ccc(-n3cncn3)cc1)C2 ZINC000684411106 567205907 /nfs/dbraw/zinc/20/59/07/567205907.db2.gz GCOMYKWXDAPDNJ-UHFFFAOYSA-N 1 2 385.265 3.424 10 0 GGAELO Brc1cccc2c1OCC[N@@H+](Cc1ccc(-n3cncn3)cc1)C2 ZINC000684411106 567205916 /nfs/dbraw/zinc/20/59/16/567205916.db2.gz GCOMYKWXDAPDNJ-UHFFFAOYSA-N 1 2 385.265 3.424 10 0 GGAELO O=C(COc1ccc(Cl)c(Cl)c1)NCc1[nH+]ccn1CC(F)(F)F ZINC000590050973 567205932 /nfs/dbraw/zinc/20/59/32/567205932.db2.gz YZTWAMZETAHYOM-UHFFFAOYSA-N 1 2 382.169 3.447 10 0 GGAELO COC(=O)c1cccc(Br)c1C[N@@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000590109239 567207537 /nfs/dbraw/zinc/20/75/37/567207537.db2.gz XPPIGFOJZIEYQP-CYBMUJFWSA-N 1 2 390.281 3.405 10 0 GGAELO COC(=O)c1cccc(Br)c1C[N@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000590109239 567207543 /nfs/dbraw/zinc/20/75/43/567207543.db2.gz XPPIGFOJZIEYQP-CYBMUJFWSA-N 1 2 390.281 3.405 10 0 GGAELO CC(C)n1nccc1C[NH2+]Cc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000474896410 567208159 /nfs/dbraw/zinc/20/81/59/567208159.db2.gz QDDFUAQBZWAEIY-UHFFFAOYSA-N 1 2 375.274 3.301 10 0 GGAELO FC(F)(F)Oc1ccc(C[N@@H+]2CCO[C@@]3(CCOC3)C2)cc1Br ZINC000474924664 567209630 /nfs/dbraw/zinc/20/96/30/567209630.db2.gz NUCCQAQSHCJWHC-AWEZNQCLSA-N 1 2 396.203 3.339 10 0 GGAELO FC(F)(F)Oc1ccc(C[N@H+]2CCO[C@@]3(CCOC3)C2)cc1Br ZINC000474924664 567209637 /nfs/dbraw/zinc/20/96/37/567209637.db2.gz NUCCQAQSHCJWHC-AWEZNQCLSA-N 1 2 396.203 3.339 10 0 GGAELO C[C@H]([NH2+]Cc1ccc(Cl)cc1-n1cncn1)c1ncc(Br)cn1 ZINC000432978874 567210939 /nfs/dbraw/zinc/21/09/39/567210939.db2.gz LCECITBNFLBJAV-JTQLQIEISA-N 1 2 393.676 3.324 10 0 GGAELO O=C(N[C@@H]1CCc2c1ccc(F)c2Br)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000615871002 567211605 /nfs/dbraw/zinc/21/16/05/567211605.db2.gz IGLFMJKQUCXZOZ-TVQRCGJNSA-N 1 2 378.245 3.220 10 0 GGAELO O=C(N[C@@H]1CCc2c1ccc(F)c2Br)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000615871002 567211611 /nfs/dbraw/zinc/21/16/11/567211611.db2.gz IGLFMJKQUCXZOZ-TVQRCGJNSA-N 1 2 378.245 3.220 10 0 GGAELO Cc1ccsc1-c1nc(=NC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)s[nH]1 ZINC000547450603 567211765 /nfs/dbraw/zinc/21/17/65/567211765.db2.gz XVFFTQUSSHQCLR-CYBMUJFWSA-N 1 2 377.539 3.089 10 0 GGAELO CNC(=O)Cc1nc(C[NH2+][C@@H](C)c2ccc(Br)cc2F)cs1 ZINC000567033064 567212374 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GGAELO C[C@@H]([NH2+]CC(=O)N[C@@H](C)c1ccc(Cl)cc1)c1ncc(Br)cn1 ZINC000432989421 567214166 /nfs/dbraw/zinc/21/41/66/567214166.db2.gz QQARCHNQDBZSOJ-WDEREUQCSA-N 1 2 397.704 3.421 10 0 GGAELO Cc1ccc(S(=O)(=O)CCC[NH2+][C@@H](C)c2ncc(Br)cn2)cc1 ZINC000433000589 567214210 /nfs/dbraw/zinc/21/42/10/567214210.db2.gz PJMVNANIAHVWFS-ZDUSSCGKSA-N 1 2 398.326 3.062 10 0 GGAELO CC(C)N(Cc1ccccc1)C(=O)C[NH2+][C@H](C)c1ncc(Br)cn1 ZINC000432992828 567214279 /nfs/dbraw/zinc/21/42/79/567214279.db2.gz PWAGPNPBMRVJNV-CQSZACIVSA-N 1 2 391.313 3.327 10 0 GGAELO C[C@@H]([NH2+]CC(=O)N(C)[C@@H](C)c1ccccc1)c1ncc(Br)cn1 ZINC000432994702 567214349 /nfs/dbraw/zinc/21/43/49/567214349.db2.gz VKSZVDZENJKFEQ-OLZOCXBDSA-N 1 2 377.286 3.109 10 0 GGAELO C[C@@H](NC(=O)C[NH2+][C@H](C)c1ncc(Br)cn1)c1ccc(Cl)cc1 ZINC000432989418 567214434 /nfs/dbraw/zinc/21/44/34/567214434.db2.gz QQARCHNQDBZSOJ-GHMZBOCLSA-N 1 2 397.704 3.421 10 0 GGAELO CCc1ccc(CN(C)C(=O)C[NH2+][C@@H](C)c2ncc(Br)cn2)cc1 ZINC000432989792 567214530 /nfs/dbraw/zinc/21/45/30/567214530.db2.gz UTZOBRPDEDQGSQ-ZDUSSCGKSA-N 1 2 391.313 3.111 10 0 GGAELO C[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1F)c1ncc(Br)cn1 ZINC000433005256 567215379 /nfs/dbraw/zinc/21/53/79/567215379.db2.gz LFZPLUWOVGRAJU-QMMMGPOBSA-N 1 2 387.640 3.321 10 0 GGAELO COc1ccc(NC(=O)C[NH2+][C@H](C)c2ncc(Br)cn2)cc1Cl ZINC000433007391 567215455 /nfs/dbraw/zinc/21/54/55/567215455.db2.gz VGEDCYJLECEGHZ-SECBINFHSA-N 1 2 399.676 3.190 10 0 GGAELO C[C@@H]([NH2+]CC(=O)Nc1ccc(F)cc1Cl)c1ncc(Br)cn1 ZINC000433008679 567215912 /nfs/dbraw/zinc/21/59/12/567215912.db2.gz PUOXMLORWAJTGA-MRVPVSSYSA-N 1 2 387.640 3.321 10 0 GGAELO CCn1cc[nH+]c1[C@H](C)NC(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000615959971 567215964 /nfs/dbraw/zinc/21/59/64/567215964.db2.gz IJOILYBEUVDGOH-GLQYFDAESA-N 1 2 393.285 3.016 10 0 GGAELO C[C@H]([NH2+]CC(=O)NCCCC1CCCCC1)c1ncc(Br)cn1 ZINC000433004149 567215957 /nfs/dbraw/zinc/21/59/57/567215957.db2.gz XHMAXSUARPTCED-ZDUSSCGKSA-N 1 2 383.334 3.366 10 0 GGAELO Cc1ccc(NC(=O)C[NH2+][C@H](C)c2ncc(Br)cn2)cc1Cl ZINC000433009050 567215993 /nfs/dbraw/zinc/21/59/93/567215993.db2.gz RGWMKAUGPWOPOT-SNVBAGLBSA-N 1 2 383.677 3.490 10 0 GGAELO CCc1ccc([C@H](C)NC(=O)C[NH2+][C@H](C)c2ncc(Br)cn2)cc1 ZINC000433007602 567216101 /nfs/dbraw/zinc/21/61/01/567216101.db2.gz VQERNGYTUUTRSJ-QWHCGFSZSA-N 1 2 391.313 3.330 10 0 GGAELO CN(C)c1cc(NC(=O)[C@@H]2COC[C@H]2c2ccccc2)[nH+]cc1Br ZINC000615993229 567218513 /nfs/dbraw/zinc/21/85/13/567218513.db2.gz NUJUVNIILXJDPY-UONOGXRCSA-N 1 2 390.281 3.279 10 0 GGAELO COc1cccc(S(=O)(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)c1 ZINC000684585111 567218840 /nfs/dbraw/zinc/21/88/40/567218840.db2.gz ICDJHHOGLYQWCP-ROUUACIJSA-N 1 2 380.897 3.072 10 0 GGAELO COc1cccc(S(=O)(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)c1 ZINC000684585111 567218847 /nfs/dbraw/zinc/21/88/47/567218847.db2.gz ICDJHHOGLYQWCP-ROUUACIJSA-N 1 2 380.897 3.072 10 0 GGAELO COc1cccc(S(=O)(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)c1 ZINC000684585110 567218922 /nfs/dbraw/zinc/21/89/22/567218922.db2.gz ICDJHHOGLYQWCP-QZTJIDSGSA-N 1 2 380.897 3.072 10 0 GGAELO COc1cccc(S(=O)(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)c1 ZINC000684585110 567218928 /nfs/dbraw/zinc/21/89/28/567218928.db2.gz ICDJHHOGLYQWCP-QZTJIDSGSA-N 1 2 380.897 3.072 10 0 GGAELO Brc1cccc(C[N@H+](Cc2cn(C[C@@H]3CCOC3)nn2)C2CC2)c1 ZINC000637899352 567223649 /nfs/dbraw/zinc/22/36/49/567223649.db2.gz MWYJTJLSYKKFNB-HNNXBMFYSA-N 1 2 391.313 3.242 10 0 GGAELO Brc1cccc(C[N@@H+](Cc2cn(C[C@@H]3CCOC3)nn2)C2CC2)c1 ZINC000637899352 567223654 /nfs/dbraw/zinc/22/36/54/567223654.db2.gz MWYJTJLSYKKFNB-HNNXBMFYSA-N 1 2 391.313 3.242 10 0 GGAELO CC(C)(C)[N@@H+]1CCc2nc(NS(=O)(=O)c3cncc(Cl)c3)sc2C1 ZINC000567159834 567223552 /nfs/dbraw/zinc/22/35/52/567223552.db2.gz UIDPIDLDADRFAW-UHFFFAOYSA-N 1 2 386.930 3.149 10 0 GGAELO CC(C)(C)[N@H+]1CCc2nc(NS(=O)(=O)c3cncc(Cl)c3)sc2C1 ZINC000567159834 567223560 /nfs/dbraw/zinc/22/35/60/567223560.db2.gz UIDPIDLDADRFAW-UHFFFAOYSA-N 1 2 386.930 3.149 10 0 GGAELO Brc1cccc(C[N@H+](Cc2cn(C[C@H]3CCOC3)nn2)C2CC2)c1 ZINC000637899353 567223786 /nfs/dbraw/zinc/22/37/86/567223786.db2.gz MWYJTJLSYKKFNB-OAHLLOKOSA-N 1 2 391.313 3.242 10 0 GGAELO Brc1cccc(C[N@@H+](Cc2cn(C[C@H]3CCOC3)nn2)C2CC2)c1 ZINC000637899353 567223793 /nfs/dbraw/zinc/22/37/93/567223793.db2.gz MWYJTJLSYKKFNB-OAHLLOKOSA-N 1 2 391.313 3.242 10 0 GGAELO CCO[C@@H](C)c1nc(CN(C)C(=O)C2CC[NH+](CC(F)F)CC2)cs1 ZINC000499154079 567227582 /nfs/dbraw/zinc/22/75/82/567227582.db2.gz SZQUXINOCBSVQD-LBPRGKRZSA-N 1 2 375.485 3.176 10 0 GGAELO Brc1ccc(N2CC[NH+](Cc3cnc4ccccc4n3)CC2)nc1 ZINC000659827407 567228059 /nfs/dbraw/zinc/22/80/59/567228059.db2.gz VGLRBJYKHJWOOV-UHFFFAOYSA-N 1 2 384.281 3.110 10 0 GGAELO O=C(c1cc(Cl)cc(Cl)c1)N1CC[NH+](CCO[C@H]2CC2(F)F)CC1 ZINC000659820059 567228666 /nfs/dbraw/zinc/22/86/66/567228666.db2.gz BSSSKMZBZNBCFA-AWEZNQCLSA-N 1 2 379.234 3.175 10 0 GGAELO CNC(=O)c1ccc(C[N@H+](C)Cc2ncc(Br)cc2Cl)cc1 ZINC000659822798 567228856 /nfs/dbraw/zinc/22/88/56/567228856.db2.gz CCMAWOGRUJUXSF-UHFFFAOYSA-N 1 2 382.689 3.489 10 0 GGAELO CNC(=O)c1ccc(C[N@@H+](C)Cc2ncc(Br)cc2Cl)cc1 ZINC000659822798 567228866 /nfs/dbraw/zinc/22/88/66/567228866.db2.gz CCMAWOGRUJUXSF-UHFFFAOYSA-N 1 2 382.689 3.489 10 0 GGAELO C[C@@H](Cc1ccco1)C(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000616144277 567229613 /nfs/dbraw/zinc/22/96/13/567229613.db2.gz GTOBCMYYUNYKBK-LBPRGKRZSA-N 1 2 394.269 3.091 10 0 GGAELO NS(=O)(=O)c1cc(C[N@H+](Cc2ccc(Cl)c(Cl)c2)C2CC2)co1 ZINC000659848557 567230368 /nfs/dbraw/zinc/23/03/68/567230368.db2.gz KCSHKEVXNXWJBW-UHFFFAOYSA-N 1 2 375.277 3.398 10 0 GGAELO NS(=O)(=O)c1cc(C[N@@H+](Cc2ccc(Cl)c(Cl)c2)C2CC2)co1 ZINC000659848557 567230377 /nfs/dbraw/zinc/23/03/77/567230377.db2.gz KCSHKEVXNXWJBW-UHFFFAOYSA-N 1 2 375.277 3.398 10 0 GGAELO O=C(NC1CC[NH+](Cc2ccc(Br)cc2)CC1)C1CCC(=O)CC1 ZINC000475174616 567230397 /nfs/dbraw/zinc/23/03/97/567230397.db2.gz PGTSZQCHZGFGCF-UHFFFAOYSA-N 1 2 393.325 3.289 10 0 GGAELO COC(=O)c1cc(NC(=O)N[C@H]2C[C@H](C)n3cc[nH+]c32)ccc1Br ZINC000455082492 567232546 /nfs/dbraw/zinc/23/25/46/567232546.db2.gz YDFJBDGNWXTUKK-ZANVPECISA-N 1 2 393.241 3.260 10 0 GGAELO COc1ncc(Br)cc1C[NH+]1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC000659866442 567232632 /nfs/dbraw/zinc/23/26/32/567232632.db2.gz SFJVEVIQFRRMOD-CYBMUJFWSA-N 1 2 398.345 3.225 10 0 GGAELO Cc1cc(Br)cc(C)c1CNC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000547627435 567233166 /nfs/dbraw/zinc/23/31/66/567233166.db2.gz XBHYCEZIOBOJDH-CQSZACIVSA-N 1 2 377.286 3.077 10 0 GGAELO Brc1ccccc1[C@H]1CCC[N@@H+]1Cc1cn(C[C@H]2CCOC2)nn1 ZINC000638150170 567234609 /nfs/dbraw/zinc/23/46/09/567234609.db2.gz WWESWSNWNDGBII-RDTXWAMCSA-N 1 2 391.313 3.414 10 0 GGAELO Brc1ccccc1[C@H]1CCC[N@H+]1Cc1cn(C[C@H]2CCOC2)nn1 ZINC000638150170 567234616 /nfs/dbraw/zinc/23/46/16/567234616.db2.gz WWESWSNWNDGBII-RDTXWAMCSA-N 1 2 391.313 3.414 10 0 GGAELO COc1cc(C[NH2+]Cc2ncnn2-c2ccccc2)cc(Br)c1O ZINC000475273275 567237445 /nfs/dbraw/zinc/23/74/45/567237445.db2.gz IVVLXACLPTXTHD-UHFFFAOYSA-N 1 2 389.253 3.034 10 0 GGAELO 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GOSYMKJZLNDWBU-CYBMUJFWSA-N 1 2 381.343 3.431 10 0 GGAELO O=C(C[N@H+](Cc1ccc(Br)cc1F)C[C@@H]1CCCO1)N1CCCC1 ZINC000525283343 567240603 /nfs/dbraw/zinc/24/06/03/567240603.db2.gz USQMCFYGLDXXGI-INIZCTEOSA-N 1 2 399.304 3.192 10 0 GGAELO O=C(C[N@@H+](Cc1ccc(Br)cc1F)C[C@@H]1CCCO1)N1CCCC1 ZINC000525283343 567240610 /nfs/dbraw/zinc/24/06/10/567240610.db2.gz USQMCFYGLDXXGI-INIZCTEOSA-N 1 2 399.304 3.192 10 0 GGAELO O=C(C1=Cc2cc(Br)ccc2OC1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590727940 567241755 /nfs/dbraw/zinc/24/17/55/567241755.db2.gz BAWLAVYXTCKOPI-MRXNPFEDSA-N 1 2 388.265 3.285 10 0 GGAELO Cc1n[nH]cc1-c1nnc(NC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)s1 ZINC000547751455 567243380 /nfs/dbraw/zinc/24/33/80/567243380.db2.gz ZUMGTMVSDOESNU-CYBMUJFWSA-N 1 2 376.873 3.131 10 0 GGAELO O=S(=O)(C1CC1)N1CCC[N@@H+](CCc2cc(Cl)ccc2Cl)CC1 ZINC000567411169 567243594 /nfs/dbraw/zinc/24/35/94/567243594.db2.gz ZQQJAYMXHHUZDT-UHFFFAOYSA-N 1 2 377.337 3.036 10 0 GGAELO O=S(=O)(C1CC1)N1CCC[N@H+](CCc2cc(Cl)ccc2Cl)CC1 ZINC000567411169 567243598 /nfs/dbraw/zinc/24/35/98/567243598.db2.gz ZQQJAYMXHHUZDT-UHFFFAOYSA-N 1 2 377.337 3.036 10 0 GGAELO Fc1ccc(N2CCOCC2)c(C[NH2+]Cc2ncc(C(F)(F)F)s2)c1 ZINC000433339876 567244363 /nfs/dbraw/zinc/24/43/63/567244363.db2.gz NINPNVMOCJILPQ-UHFFFAOYSA-N 1 2 375.391 3.427 10 0 GGAELO Cc1[nH+]ccc(NS(=O)(=O)Cc2cc(Cl)ccc2F)c1Br ZINC000567438359 567246743 /nfs/dbraw/zinc/24/67/43/567246743.db2.gz HFMTZNKWPARIQU-UHFFFAOYSA-N 1 2 393.665 3.309 10 0 GGAELO C[C@@H]1CCN(C(=O)N[C@H](c2[nH+]ccn2C)c2ccc(Br)cc2)C1 ZINC000660012222 567247431 /nfs/dbraw/zinc/24/74/31/567247431.db2.gz DNCMFAWMHKTWJG-DOMZBBRYSA-N 1 2 377.286 3.323 10 0 GGAELO CCc1nnc([C@H](C)N2CC[NH+](Cc3ccc(Br)cc3)CC2)[nH]1 ZINC000660010856 567247504 /nfs/dbraw/zinc/24/75/04/567247504.db2.gz QTNMQUMUOWGREX-ZDUSSCGKSA-N 1 2 378.318 3.008 10 0 GGAELO NC(=O)[C@@H](NCc1[nH+]ccn1Cc1ccccc1)c1cccc(Br)c1 ZINC000475434865 567248029 /nfs/dbraw/zinc/24/80/29/567248029.db2.gz QFNRXBFBRCJKPX-SFHVURJKSA-N 1 2 399.292 3.010 10 0 GGAELO O=S(=O)(c1cc(C(F)(F)F)ccc1F)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590794708 567248071 /nfs/dbraw/zinc/24/80/71/567248071.db2.gz BSSQNVDNFPINDX-LBPRGKRZSA-N 1 2 377.363 3.067 10 0 GGAELO NC(=O)[C@@H]([NH2+]Cc1cc(-c2ccccc2)n[nH]1)c1cccc(Br)c1 ZINC000475433759 567248162 /nfs/dbraw/zinc/24/81/62/567248162.db2.gz YLIKFJQJWMLKCZ-KRWDZBQOSA-N 1 2 385.265 3.155 10 0 GGAELO O=S(=O)(c1cc(C(F)(F)F)ccc1F)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590794707 567248257 /nfs/dbraw/zinc/24/82/57/567248257.db2.gz BSSQNVDNFPINDX-GFCCVEGCSA-N 1 2 377.363 3.067 10 0 GGAELO O=S(=O)(c1ccc(F)c(C(F)(F)F)c1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590794721 567248274 /nfs/dbraw/zinc/24/82/74/567248274.db2.gz DOXVZTXSVYVWRF-NSHDSACASA-N 1 2 377.363 3.067 10 0 GGAELO C[N@@H+]1CCO[C@H]([C@H](NCc2nnc(C3CC3)s2)c2ccc(Cl)cc2)C1 ZINC000567470365 567249527 /nfs/dbraw/zinc/24/95/27/567249527.db2.gz MIYNMNHJSFOGPZ-DOTOQJQBSA-N 1 2 378.929 3.230 10 0 GGAELO C[N@H+]1CCO[C@H]([C@H](NCc2nnc(C3CC3)s2)c2ccc(Cl)cc2)C1 ZINC000567470365 567249532 /nfs/dbraw/zinc/24/95/32/567249532.db2.gz MIYNMNHJSFOGPZ-DOTOQJQBSA-N 1 2 378.929 3.230 10 0 GGAELO O=C(NCc1cc(F)ccc1Br)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590858667 567252944 /nfs/dbraw/zinc/25/29/44/567252944.db2.gz CXFSBQZKJUPFGX-AWEZNQCLSA-N 1 2 381.249 3.331 10 0 GGAELO COC[C@@H](C[N@@H+]1CCCC[C@H]1C(=O)Nc1cc(Cl)ccc1Cl)OC ZINC000660061320 567253913 /nfs/dbraw/zinc/25/39/13/567253913.db2.gz SNWPLUBBDHLQMO-CJNGLKHVSA-N 1 2 375.296 3.448 10 0 GGAELO COC[C@@H](C[N@H+]1CCCC[C@H]1C(=O)Nc1cc(Cl)ccc1Cl)OC ZINC000660061320 567253919 /nfs/dbraw/zinc/25/39/19/567253919.db2.gz SNWPLUBBDHLQMO-CJNGLKHVSA-N 1 2 375.296 3.448 10 0 GGAELO Brc1ccc2nc(C[N@@H+]3CCC4(C3)Oc3ccccc3O4)cn2c1 ZINC000685053403 567255588 /nfs/dbraw/zinc/25/55/88/567255588.db2.gz YXUUDCKBNSXNRY-UHFFFAOYSA-N 1 2 386.249 3.470 10 0 GGAELO Brc1ccc2nc(C[N@H+]3CCC4(C3)Oc3ccccc3O4)cn2c1 ZINC000685053403 567255590 /nfs/dbraw/zinc/25/55/90/567255590.db2.gz YXUUDCKBNSXNRY-UHFFFAOYSA-N 1 2 386.249 3.470 10 0 GGAELO Cc1ncc(Cl)c(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccc(Cl)cc2)n1 ZINC000525632494 567257213 /nfs/dbraw/zinc/25/72/13/567257213.db2.gz LXISPLZXFJUZGS-CQSZACIVSA-N 1 2 376.247 3.345 10 0 GGAELO CCn1cc[nH+]c1CNC(=O)N1CCc2cc(Br)cc(F)c2C1 ZINC000455290925 567257898 /nfs/dbraw/zinc/25/78/98/567257898.db2.gz HSJQCBUPIIHHLQ-UHFFFAOYSA-N 1 2 381.249 3.073 10 0 GGAELO CCn1cc[nH+]c1CNC(=O)N1Cc2cc(Br)ccc2C[C@@H]1C ZINC000455293563 567257999 /nfs/dbraw/zinc/25/79/99/567257999.db2.gz MKUXONVJPRMPEK-LBPRGKRZSA-N 1 2 377.286 3.322 10 0 GGAELO CCn1cc[nH+]c1CNC(=O)N1CC[C@H](c2cccc(Br)c2)C1 ZINC000455293500 567258060 /nfs/dbraw/zinc/25/80/60/567258060.db2.gz LQWNQFGJMGNQAE-AWEZNQCLSA-N 1 2 377.286 3.365 10 0 GGAELO CCN(CCOc1ccc(Br)cc1)C(=O)NCc1[nH+]ccn1CC ZINC000455290235 567258224 /nfs/dbraw/zinc/25/82/24/567258224.db2.gz FSTCRZIVPYXCFF-UHFFFAOYSA-N 1 2 395.301 3.276 10 0 GGAELO CCn1cc[nH+]c1CNC(=O)N1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000455291575 567258286 /nfs/dbraw/zinc/25/82/86/567258286.db2.gz IBZZKDJIZYGJLC-HNNXBMFYSA-N 1 2 391.313 3.440 10 0 GGAELO COc1cc(C[NH+]2CC3(CC(F)C3)C2)cc(I)c1OC ZINC000590969260 567259192 /nfs/dbraw/zinc/25/91/92/567259192.db2.gz BTQUEQFLMFCDRZ-UHFFFAOYSA-N 1 2 391.224 3.242 10 0 GGAELO CC[C@@H]1CN(Cc2c[nH+]c3c(C)cc(Br)cn23)C[C@]2(CCOC2)O1 ZINC000475614072 567260882 /nfs/dbraw/zinc/26/08/82/567260882.db2.gz DUNKRBIHNRFVJS-AEFFLSMTSA-N 1 2 394.313 3.175 10 0 GGAELO CC[C@H]1CN(Cc2c[nH+]c3c(C)cc(Br)cn23)C[C@@]2(CCOC2)O1 ZINC000475614074 567261429 /nfs/dbraw/zinc/26/14/29/567261429.db2.gz DUNKRBIHNRFVJS-FUHWJXTLSA-N 1 2 394.313 3.175 10 0 GGAELO CC[C@@H]1CN(Cc2c[nH+]c3c(C)cc(Br)cn23)C[C@@]2(CCOC2)O1 ZINC000475614075 567261513 /nfs/dbraw/zinc/26/15/13/567261513.db2.gz DUNKRBIHNRFVJS-SJLPKXTDSA-N 1 2 394.313 3.175 10 0 GGAELO CC[C@H]1CN(Cc2c[nH+]c3c(C)cc(Br)cn23)C[C@]2(CCOC2)O1 ZINC000475614076 567261521 /nfs/dbraw/zinc/26/15/21/567261521.db2.gz DUNKRBIHNRFVJS-WMZOPIPTSA-N 1 2 394.313 3.175 10 0 GGAELO CC[C@@H]1C[N@H+](Cc2cc(Br)c(OC)s2)C[C@]2(CCOC2)O1 ZINC000475621592 567262118 /nfs/dbraw/zinc/26/21/18/567262118.db2.gz HDHTUTYIXNHXCM-ABAIWWIYSA-N 1 2 376.316 3.289 10 0 GGAELO CC[C@@H]1C[N@@H+](Cc2cc(Br)c(OC)s2)C[C@]2(CCOC2)O1 ZINC000475621592 567262125 /nfs/dbraw/zinc/26/21/25/567262125.db2.gz HDHTUTYIXNHXCM-ABAIWWIYSA-N 1 2 376.316 3.289 10 0 GGAELO Cc1ccc(NC(=O)CN2CCC[C@@H](n3cc[nH+]c3)C2)c(Br)c1 ZINC000591082356 567262818 /nfs/dbraw/zinc/26/28/18/567262818.db2.gz FRHPFYORUZXOHB-CQSZACIVSA-N 1 2 377.286 3.230 10 0 GGAELO CCOC(=O)C1(COC)CC[NH+](Cc2ccc(Br)c(F)c2)CC1 ZINC000475625628 567262925 /nfs/dbraw/zinc/26/29/25/567262925.db2.gz NMBACVNPCMLCQQ-UHFFFAOYSA-N 1 2 388.277 3.380 10 0 GGAELO NS(=O)(=O)c1cc(C[NH+]2CCC(Sc3ccc(Cl)cc3)CC2)co1 ZINC000660115430 567263104 /nfs/dbraw/zinc/26/31/04/567263104.db2.gz NGPZWLVPHXDLFR-UHFFFAOYSA-N 1 2 386.926 3.337 10 0 GGAELO CO[C@@H]1CCCC[C@H]1C(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000499642932 567263158 /nfs/dbraw/zinc/26/31/58/567263158.db2.gz WCQCRWHOYYHSKU-HUUCEWRRSA-N 1 2 380.286 3.227 10 0 GGAELO Cc1cc(Br)cn2c(CN3C[C@]4(CCOC4)OC(C)(C)C3)c[nH+]c12 ZINC000475630927 567263488 /nfs/dbraw/zinc/26/34/88/567263488.db2.gz KQIPICFCYXXWIP-SFHVURJKSA-N 1 2 394.313 3.175 10 0 GGAELO C[C@@H](NC(=O)c1cc(F)c(Br)cc1Cl)[C@H](C)[NH+]1CCOCC1 ZINC000475648146 567264653 /nfs/dbraw/zinc/26/46/53/567264653.db2.gz GPPKERRNQAHSPW-ZJUUUORDSA-N 1 2 393.684 3.081 10 0 GGAELO CC[NH+](CC)[C@H](CNS(=O)(=O)[C@H]1CCOC[C@H]1C)c1ccccc1Cl ZINC000685290884 567267250 /nfs/dbraw/zinc/26/72/50/567267250.db2.gz ULLWERRTBLNZFC-OLMNPRSZSA-N 1 2 388.961 3.067 10 0 GGAELO COCC[N@H+](Cc1cc(Br)cs1)Cc1cnc(OC)nc1C ZINC000499730023 567269985 /nfs/dbraw/zinc/26/99/85/567269985.db2.gz ADWUJHSBHXRMJN-UHFFFAOYSA-N 1 2 386.315 3.266 10 0 GGAELO COCC[N@@H+](Cc1cc(Br)cs1)Cc1cnc(OC)nc1C ZINC000499730023 567269989 /nfs/dbraw/zinc/26/99/89/567269989.db2.gz ADWUJHSBHXRMJN-UHFFFAOYSA-N 1 2 386.315 3.266 10 0 GGAELO O=C(NCc1cc(Cl)cc(Br)c1)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000567708054 567270564 /nfs/dbraw/zinc/27/05/64/567270564.db2.gz RCFWXYWMGNMNQZ-LBPRGKRZSA-N 1 2 383.677 3.182 10 0 GGAELO O=C(NCc1cc(Cl)cc(Br)c1)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000567708054 567270566 /nfs/dbraw/zinc/27/05/66/567270566.db2.gz RCFWXYWMGNMNQZ-LBPRGKRZSA-N 1 2 383.677 3.182 10 0 GGAELO Cc1nccc(NC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)c1Br ZINC000525851360 567270982 /nfs/dbraw/zinc/27/09/82/567270982.db2.gz PHFVXSQLJUMKPD-HNNXBMFYSA-N 1 2 382.689 3.469 10 0 GGAELO Cc1nc2[nH]ccc2c(NC[C@H]2CCN(c3cccc(Br)c3)C2)[nH+]1 ZINC000433785271 567272120 /nfs/dbraw/zinc/27/21/20/567272120.db2.gz IIYBYZLYHPQRQW-CYBMUJFWSA-N 1 2 386.297 3.389 10 0 GGAELO Cc1nc2[nH]ccc2c(NCCCNC(=O)c2ccc(Br)cc2)[nH+]1 ZINC000433794970 567272135 /nfs/dbraw/zinc/27/21/35/567272135.db2.gz VTEXLCWAZZVMMO-UHFFFAOYSA-N 1 2 388.269 3.212 10 0 GGAELO Cc1[nH+]ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1Br ZINC000525870560 567272519 /nfs/dbraw/zinc/27/25/19/567272519.db2.gz IXMAFGGNZLHZLL-UHFFFAOYSA-N 1 2 395.200 3.394 10 0 GGAELO CCOc1ccc(S(=O)(=O)Nc2cc[nH+]c(C)c2Br)cc1C ZINC000525870736 567272921 /nfs/dbraw/zinc/27/29/21/567272921.db2.gz MOWBAXNNUUBWBT-UHFFFAOYSA-N 1 2 385.283 3.082 10 0 GGAELO Cc1[nH+]ccc(NS(=O)(=O)c2cccc(Cl)c2F)c1Br ZINC000525870667 567273145 /nfs/dbraw/zinc/27/31/45/567273145.db2.gz ODMOSERMDZJYIN-UHFFFAOYSA-N 1 2 379.638 3.168 10 0 GGAELO O=C(c1nc2ccccc2cc1Br)N1CC(Oc2cc[nH+]cc2)C1 ZINC000685431338 567274049 /nfs/dbraw/zinc/27/40/49/567274049.db2.gz BAGFLYQMLQEBHQ-UHFFFAOYSA-N 1 2 384.233 3.296 10 0 GGAELO C[C@H]1CO[C@@H](C(F)(F)F)CN1Cc1c[nH+]c2ccc(Br)cn12 ZINC000685439753 567276280 /nfs/dbraw/zinc/27/62/80/567276280.db2.gz ACKSRHJAUFVDLB-JOYOIKCWSA-N 1 2 378.192 3.248 10 0 GGAELO O=C(Nc1cc(Br)ccn1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000499844290 567277035 /nfs/dbraw/zinc/27/70/35/567277035.db2.gz DLEYYCOZTWXHDC-UHFFFAOYSA-N 1 2 376.258 3.030 10 0 GGAELO CCn1cc[nH+]c1[C@H](C)NC(=O)N1CCc2cccc(Br)c2C1 ZINC000455479859 567278486 /nfs/dbraw/zinc/27/84/86/567278486.db2.gz VPJIVUPTHLPSOP-LBPRGKRZSA-N 1 2 377.286 3.494 10 0 GGAELO CCc1nnc([C@H](C)[NH2+][C@H](C)c2cc3c(cc2Br)OCCO3)[nH]1 ZINC000660189153 567278465 /nfs/dbraw/zinc/27/84/65/567278465.db2.gz XZGUODJJYTWVQM-ZJUUUORDSA-N 1 2 381.274 3.313 10 0 GGAELO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@@H+]1CCO[C@]2(CCSC2)C1 ZINC000567797317 567279125 /nfs/dbraw/zinc/27/91/25/567279125.db2.gz OYHFPRPWFADKOV-QGZVFWFLSA-N 1 2 389.348 3.160 10 0 GGAELO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@H+]1CCO[C@]2(CCSC2)C1 ZINC000567797317 567279128 /nfs/dbraw/zinc/27/91/28/567279128.db2.gz OYHFPRPWFADKOV-QGZVFWFLSA-N 1 2 389.348 3.160 10 0 GGAELO CC(C)(C)C(F)(F)CNC(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000660214464 567280395 /nfs/dbraw/zinc/28/03/95/567280395.db2.gz PONJEZFMJNTCPD-CYBMUJFWSA-N 1 2 375.485 3.102 10 0 GGAELO Cc1cc(Br)ccc1CN(C)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000433901810 567282265 /nfs/dbraw/zinc/28/22/65/567282265.db2.gz SXDLOVBWPQBUCY-GJZGRUSLSA-N 1 2 398.345 3.008 10 0 GGAELO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CCSC[C@@H]1c1nccs1)C2 ZINC000526014133 567283311 /nfs/dbraw/zinc/28/33/11/567283311.db2.gz WOHMVCOYAZFPGQ-SWLSCSKDSA-N 1 2 376.551 3.411 10 0 GGAELO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CCSC[C@@H]1c1nccs1)CC2 ZINC000526014133 567283317 /nfs/dbraw/zinc/28/33/17/567283317.db2.gz WOHMVCOYAZFPGQ-SWLSCSKDSA-N 1 2 376.551 3.411 10 0 GGAELO C[C@@H]([NH2+]Cc1cn2cc(Br)ccc2n1)c1nnc2n1CCCCC2 ZINC000660260419 567283361 /nfs/dbraw/zinc/28/33/61/567283361.db2.gz WPARUQGTTGKNCX-GFCCVEGCSA-N 1 2 389.301 3.266 10 0 GGAELO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCSC[C@H]1c1nccs1)C2 ZINC000526014131 567283637 /nfs/dbraw/zinc/28/36/37/567283637.db2.gz WOHMVCOYAZFPGQ-DOMZBBRYSA-N 1 2 376.551 3.411 10 0 GGAELO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCSC[C@H]1c1nccs1)CC2 ZINC000526014131 567283642 /nfs/dbraw/zinc/28/36/42/567283642.db2.gz WOHMVCOYAZFPGQ-DOMZBBRYSA-N 1 2 376.551 3.411 10 0 GGAELO COc1ccccc1[C@H](CO)[NH2+]Cc1nc2cc(Br)ccc2[nH]1 ZINC000548158729 567285481 /nfs/dbraw/zinc/28/54/81/567285481.db2.gz IZUVIRVKYUQORB-HNNXBMFYSA-N 1 2 376.254 3.157 10 0 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C[C@H](C(=O)Nc1cccc(Cl)c1Cl)[N@@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000640053907 567339644 /nfs/dbraw/zinc/33/96/44/567339644.db2.gz KFERHGNWPBWMLH-KXUCPTDWSA-N 1 2 385.213 3.423 10 0 GGAELO C[C@H](C(=O)Nc1cccc(Cl)c1Cl)[N@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000640053907 567339649 /nfs/dbraw/zinc/33/96/49/567339649.db2.gz KFERHGNWPBWMLH-KXUCPTDWSA-N 1 2 385.213 3.423 10 0 GGAELO O=C1[C@H]([N@@H+]2C[C@@H](CO)[C@H](C(F)(F)F)C2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000640044286 567339667 /nfs/dbraw/zinc/33/96/67/567339667.db2.gz OWDICELNXKVAEN-DRCTWCGVSA-N 1 2 397.224 3.201 10 0 GGAELO O=C1[C@H]([N@H+]2C[C@@H](CO)[C@H](C(F)(F)F)C2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000640044286 567339675 /nfs/dbraw/zinc/33/96/75/567339675.db2.gz OWDICELNXKVAEN-DRCTWCGVSA-N 1 2 397.224 3.201 10 0 GGAELO COc1cc(Br)ccc1[C@@H](C)NC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000661059064 567344248 /nfs/dbraw/zinc/34/42/48/567344248.db2.gz XMRRSIYJGSIRSB-MNOVXSKESA-N 1 2 381.274 3.313 10 0 GGAELO 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ZINC000568766696 567355101 /nfs/dbraw/zinc/35/51/01/567355101.db2.gz FWPSYLJOPXWRAM-UHFFFAOYSA-N 1 2 382.888 3.448 10 0 GGAELO CN(C)c1[nH+]cccc1CNC(=O)NCc1cc(F)c(Br)cc1F ZINC000527660290 567356202 /nfs/dbraw/zinc/35/62/02/567356202.db2.gz GPKGYKVFVLEMIW-UHFFFAOYSA-N 1 2 399.239 3.188 10 0 GGAELO C[C@@H](NC(=O)N[C@H]1C[C@H](c2ccc(Br)cc2)C1)c1[nH+]ccn1C ZINC000661215737 567357562 /nfs/dbraw/zinc/35/75/62/567357562.db2.gz FGEPSANGTIPAKN-UXIGCNINSA-N 1 2 377.286 3.489 10 0 GGAELO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)N1CC[C@@H]1c1ccc(Br)cc1 ZINC000661204302 567357872 /nfs/dbraw/zinc/35/78/72/567357872.db2.gz HTDDZLMFVLHMFC-CZUORRHYSA-N 1 2 375.270 3.186 10 0 GGAELO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)N1CC[C@@H]1c1ccc(Br)cc1 ZINC000661204302 567357876 /nfs/dbraw/zinc/35/78/76/567357876.db2.gz HTDDZLMFVLHMFC-CZUORRHYSA-N 1 2 375.270 3.186 10 0 GGAELO COC(=O)c1ccc(C[NH2+]Cc2ncc(Br)s2)nc1C1CC1 ZINC000568800224 567358037 /nfs/dbraw/zinc/35/80/37/567358037.db2.gz LOWJKFZLUPRDEH-UHFFFAOYSA-N 1 2 382.283 3.254 10 0 GGAELO CC[C@H](Cc1ccc(Br)cc1)NC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000661204072 567358192 /nfs/dbraw/zinc/35/81/92/567358192.db2.gz BUJKMVOSEMHJJZ-HUUCEWRRSA-N 1 2 391.313 3.350 10 0 GGAELO CC[C@H](Cc1ccc(Br)cc1)NC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000661204072 567358197 /nfs/dbraw/zinc/35/81/97/567358197.db2.gz BUJKMVOSEMHJJZ-HUUCEWRRSA-N 1 2 391.313 3.350 10 0 GGAELO CC[C@@H](Cc1ccc(Br)cc1)NC(=O)NCc1[nH+]ccn1CC ZINC000661261256 567361430 /nfs/dbraw/zinc/36/14/30/567361430.db2.gz CZHQQNJMOUDHOV-HNNXBMFYSA-N 1 2 379.302 3.486 10 0 GGAELO CCn1cc[nH+]c1[C@H](C)NC(=O)N1CCOc2cc(Br)ccc2C1 ZINC000661278383 567363114 /nfs/dbraw/zinc/36/31/14/567363114.db2.gz QUMPQOLNSNAPIP-LBPRGKRZSA-N 1 2 393.285 3.331 10 0 GGAELO CCn1ncnc1C[NH2+]Cc1cc(Br)c(C)cc1Br ZINC000527702089 567365099 /nfs/dbraw/zinc/36/50/99/567365099.db2.gz RHRQTICWZRDTNP-UHFFFAOYSA-N 1 2 388.107 3.421 10 0 GGAELO CO[C@@]1(CO)CCC[N@H+](Cc2cccc(Br)c2OC(F)F)C1 ZINC000661388575 567371020 /nfs/dbraw/zinc/37/10/20/567371020.db2.gz BSKPSVATPTXDMA-HNNXBMFYSA-N 1 2 380.229 3.024 10 0 GGAELO CO[C@@]1(CO)CCC[N@@H+](Cc2cccc(Br)c2OC(F)F)C1 ZINC000661388575 567371027 /nfs/dbraw/zinc/37/10/27/567371027.db2.gz BSKPSVATPTXDMA-HNNXBMFYSA-N 1 2 380.229 3.024 10 0 GGAELO Cc1nc(S(=O)(=O)N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)sc1C ZINC000501193654 567372215 /nfs/dbraw/zinc/37/22/15/567372215.db2.gz XOPUVJZHQSNUER-ZIAGYGMSSA-N 1 2 379.551 3.043 10 0 GGAELO Cc1nc(S(=O)(=O)N2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)sc1C ZINC000501193654 567372219 /nfs/dbraw/zinc/37/22/19/567372219.db2.gz XOPUVJZHQSNUER-ZIAGYGMSSA-N 1 2 379.551 3.043 10 0 GGAELO Cc1cc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](OC(F)F)C2)ccc1Br ZINC000549078050 567372538 /nfs/dbraw/zinc/37/25/38/567372538.db2.gz KPDSDVNCJDXUSJ-JQWIXIFHSA-N 1 2 377.229 3.398 10 0 GGAELO Cc1cc(NC(=O)[C@H](C)[N@H+]2CC[C@H](OC(F)F)C2)ccc1Br ZINC000549078050 567372545 /nfs/dbraw/zinc/37/25/45/567372545.db2.gz KPDSDVNCJDXUSJ-JQWIXIFHSA-N 1 2 377.229 3.398 10 0 GGAELO CN(C(=O)Cc1cn2c([nH+]1)CCCC2)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000618343434 567376197 /nfs/dbraw/zinc/37/61/97/567376197.db2.gz ZKZFQEULGOCVQT-HNNXBMFYSA-N 1 2 382.291 3.261 10 0 GGAELO COC(=O)[C@H](c1cccc(Br)c1)[N@@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000501280143 567376932 /nfs/dbraw/zinc/37/69/32/567376932.db2.gz BPUFQJMQJXWPTI-INMHGKMJSA-N 1 2 382.298 3.412 10 0 GGAELO COC(=O)[C@H](c1cccc(Br)c1)[N@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000501280143 567376938 /nfs/dbraw/zinc/37/69/38/567376938.db2.gz BPUFQJMQJXWPTI-INMHGKMJSA-N 1 2 382.298 3.412 10 0 GGAELO C[C@@]12COC[C@]1(C)C[N@@H+](Cc1noc(Cc3ccc(Br)cc3)n1)C2 ZINC000661501853 567377492 /nfs/dbraw/zinc/37/74/92/567377492.db2.gz LEEJCAKZXUVTSL-HDICACEKSA-N 1 2 392.297 3.281 10 0 GGAELO C[C@@]12COC[C@]1(C)C[N@H+](Cc1noc(Cc3ccc(Br)cc3)n1)C2 ZINC000661501853 567377494 /nfs/dbraw/zinc/37/74/94/567377494.db2.gz LEEJCAKZXUVTSL-HDICACEKSA-N 1 2 392.297 3.281 10 0 GGAELO Brc1ccc(N2CC[NH+](Cc3nc(-c4ccoc4)no3)CC2)cc1 ZINC000661576365 567380977 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C[C@@H]1C[C@@H](NC(=O)NCc2cc(F)c(Br)cc2F)c2[nH+]ccn21 ZINC000527990666 567388269 /nfs/dbraw/zinc/38/82/69/567388269.db2.gz QCOJSXXJMWKRNK-AMIZOPFISA-N 1 2 385.212 3.429 10 0 GGAELO CCCOc1ccc(Br)cc1Cn1ncc2c1nc[nH+]c2NC ZINC000435788952 567389120 /nfs/dbraw/zinc/38/91/20/567389120.db2.gz CFIFGMMKEYKBTJ-UHFFFAOYSA-N 1 2 376.258 3.468 10 0 GGAELO O[C@]12C[C@H]1C[N@H+](CCOc1c(Br)cccc1Br)CC2 ZINC000661720104 567389994 /nfs/dbraw/zinc/38/99/94/567389994.db2.gz CMXQEXXSYPEFOF-IINYFYTJSA-N 1 2 391.103 3.047 10 0 GGAELO O[C@]12C[C@H]1C[N@@H+](CCOc1c(Br)cccc1Br)CC2 ZINC000661720104 567390002 /nfs/dbraw/zinc/39/00/02/567390002.db2.gz CMXQEXXSYPEFOF-IINYFYTJSA-N 1 2 391.103 3.047 10 0 GGAELO O=C(CC[N@H+]1CCOC[C@H]1c1cccc(Br)c1)N1CCCCC1 ZINC000661729721 567390031 /nfs/dbraw/zinc/39/00/31/567390031.db2.gz MSIUNRGZCMFJBZ-KRWDZBQOSA-N 1 2 381.314 3.225 10 0 GGAELO O=C(CC[N@@H+]1CCOC[C@H]1c1cccc(Br)c1)N1CCCCC1 ZINC000661729721 567390040 /nfs/dbraw/zinc/39/00/40/567390040.db2.gz 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567394021 /nfs/dbraw/zinc/39/40/21/567394021.db2.gz YDDNPDSMFCACDM-SFHVURJKSA-N 1 2 392.293 3.221 10 0 GGAELO COC(=O)c1sccc1C[NH2+][C@H](c1ccc(C)cc1)[C@@H](C)S(C)(=O)=O ZINC000435904891 567395284 /nfs/dbraw/zinc/39/52/84/567395284.db2.gz AFFNHQLNWLMLJO-CJNGLKHVSA-N 1 2 381.519 3.107 10 0 GGAELO Cc1cc(Br)cn2cc(CNC(=O)NC[C@@]3(C)CC3(F)F)[nH+]c12 ZINC000661818331 567395468 /nfs/dbraw/zinc/39/54/68/567395468.db2.gz CYOVZNRZVRADLG-CQSZACIVSA-N 1 2 387.228 3.250 10 0 GGAELO O=C(NCC1(Cc2ccc(Br)cc2)CC1)[C@H]1CCn2cc[nH+]c2C1 ZINC000618539947 567397888 /nfs/dbraw/zinc/39/78/88/567397888.db2.gz UJAFTXUDEZHOKZ-HNNXBMFYSA-N 1 2 388.309 3.347 10 0 GGAELO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC1(Cc2ccc(Br)cc2)CC1 ZINC000618545520 567399636 /nfs/dbraw/zinc/39/96/36/567399636.db2.gz PEAFCDIGSMUKKA-ZDUSSCGKSA-N 1 2 376.298 3.490 10 0 GGAELO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC1(Cc2ccc(Br)cc2)CC1 ZINC000618545520 567399644 /nfs/dbraw/zinc/39/96/44/567399644.db2.gz PEAFCDIGSMUKKA-ZDUSSCGKSA-N 1 2 376.298 3.490 10 0 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C[C@H](C(=O)Nc1cccc(Cl)c1Cl)[N@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000528784112 567455934 /nfs/dbraw/zinc/45/59/34/567455934.db2.gz JBFBSKLRAOXGNH-AYLMUJEVSA-N 1 2 375.321 3.306 10 0 GGAELO Cc1cc(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccc(=O)[nH]n2)ccc1Br ZINC000528786310 567456169 /nfs/dbraw/zinc/45/61/69/567456169.db2.gz CNBSNBCQBWGSDR-OAHLLOKOSA-N 1 2 391.269 3.029 10 0 GGAELO Cc1cc(NC(=O)C[N@H+]2CCC[C@@H]2c2ccc(=O)[nH]n2)ccc1Br ZINC000528786310 567456177 /nfs/dbraw/zinc/45/61/77/567456177.db2.gz CNBSNBCQBWGSDR-OAHLLOKOSA-N 1 2 391.269 3.029 10 0 GGAELO O=[S@](CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O)c1cc(Cl)ccc1Cl ZINC000528783622 567456415 /nfs/dbraw/zinc/45/64/15/567456415.db2.gz PYUNBJQHMXYPCY-YQJHHNQMSA-N 1 2 380.362 3.086 10 0 GGAELO O=[S@](CC[N@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O)c1cc(Cl)ccc1Cl ZINC000528783622 567456417 /nfs/dbraw/zinc/45/64/17/567456417.db2.gz PYUNBJQHMXYPCY-YQJHHNQMSA-N 1 2 380.362 3.086 10 0 GGAELO O=C1[C@H]([N@@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)CCN1c1ccc(Cl)cc1Cl 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Cn1c(C[N@H+]2CCC[C@@H]2c2ccc(=O)[nH]n2)nc2ccc(Br)cc21 ZINC000528790281 567457219 /nfs/dbraw/zinc/45/72/19/567457219.db2.gz VXGGEHCYTZRLAU-CQSZACIVSA-N 1 2 388.269 3.169 10 0 GGAELO CC1(C)C[N@H+](CCNC(=O)N[C@@H]2CCc3c2ccc(Cl)c3Cl)CCO1 ZINC000502848887 567457840 /nfs/dbraw/zinc/45/78/40/567457840.db2.gz KRCIKMXSFHUIHT-OAHLLOKOSA-N 1 2 386.323 3.391 10 0 GGAELO CC1(C)C[N@@H+](CCNC(=O)N[C@@H]2CCc3c2ccc(Cl)c3Cl)CCO1 ZINC000502848887 567457843 /nfs/dbraw/zinc/45/78/43/567457843.db2.gz KRCIKMXSFHUIHT-OAHLLOKOSA-N 1 2 386.323 3.391 10 0 GGAELO C[C@@]1(Br)C[C@@H]1C(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000528804366 567458145 /nfs/dbraw/zinc/45/81/45/567458145.db2.gz MGHUDDXTHSDMPE-CRAIPNDOSA-N 1 2 376.298 3.306 10 0 GGAELO CC(C)(C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1)[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000528870618 567464123 /nfs/dbraw/zinc/46/41/23/567464123.db2.gz KTTXIUCCXOYJOE-BBRMVZONSA-N 1 2 382.291 3.450 10 0 GGAELO CC(C)(C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1)[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000528870618 567464125 /nfs/dbraw/zinc/46/41/25/567464125.db2.gz KTTXIUCCXOYJOE-BBRMVZONSA-N 1 2 382.291 3.450 10 0 GGAELO C[C@@H]([NH2+][C@@H](C)c1ncc(Br)cn1)c1ccc(NS(C)(=O)=O)cc1 ZINC000550832294 567464732 /nfs/dbraw/zinc/46/47/32/567464732.db2.gz DRIVYTFDDKYUGT-MNOVXSKESA-N 1 2 399.314 3.022 10 0 GGAELO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccc(Br)c(F)c1F ZINC000528894559 567466844 /nfs/dbraw/zinc/46/68/44/567466844.db2.gz VHAYTYIWTDLRHS-SNVBAGLBSA-N 1 2 382.208 3.131 10 0 GGAELO COc1ccccc1C[N@H+](CCO)Cc1cn2ccc(Br)cc2n1 ZINC000570250980 567470565 /nfs/dbraw/zinc/47/05/65/567470565.db2.gz HOVQGCKZCUPSHY-UHFFFAOYSA-N 1 2 390.281 3.100 10 0 GGAELO COc1ccccc1C[N@@H+](CCO)Cc1cn2ccc(Br)cc2n1 ZINC000570250980 567470571 /nfs/dbraw/zinc/47/05/71/567470571.db2.gz HOVQGCKZCUPSHY-UHFFFAOYSA-N 1 2 390.281 3.100 10 0 GGAELO C[C@]1(Br)C[C@H]1C(=O)N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000528947614 567471604 /nfs/dbraw/zinc/47/16/04/567471604.db2.gz WNALKHQYQOXFKS-KXBFYZLASA-N 1 2 388.309 3.184 10 0 GGAELO COC(C)(C)c1nc(C)c(C(=O)NCC2CC[NH+](CC(F)F)CC2)s1 ZINC000570293175 567473523 /nfs/dbraw/zinc/47/35/23/567473523.db2.gz TUVWWDIDASQTNK-UHFFFAOYSA-N 1 2 375.485 3.040 10 0 GGAELO Cc1ccc(CS(=O)(=O)CCCc2nc(-c3cccs3)no2)c(C)[nH+]1 ZINC000478724737 567479534 /nfs/dbraw/zinc/47/95/34/567479534.db2.gz NCOSPHVGFYILOI-UHFFFAOYSA-N 1 2 377.491 3.358 10 0 GGAELO C[C@H](C(=O)NCC(F)(F)F)N1CC[NH+]([C@H](C)c2ccccc2Cl)CC1 ZINC000642525025 567480845 /nfs/dbraw/zinc/48/08/45/567480845.db2.gz CGVQJWNYSBYWFB-CHWSQXEVSA-N 1 2 377.838 3.086 10 0 GGAELO Cc1cccn2cc(CNC(=O)c3cc(Br)cc4[nH]cnc43)[nH+]c12 ZINC000503350739 567482109 /nfs/dbraw/zinc/48/21/09/567482109.db2.gz YNSNWPQLFXNYEA-UHFFFAOYSA-N 1 2 384.237 3.212 10 0 GGAELO C[C@H](CC(F)(F)F)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000457680993 567482742 /nfs/dbraw/zinc/48/27/42/567482742.db2.gz FWQJWHKSRVGIPH-UGFHNGPFSA-N 1 2 378.822 3.416 10 0 GGAELO C[C@H](CC(F)(F)F)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000457680993 567482748 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O=C(NCc1ccccc1-n1cc[nH+]c1)c1cc(Br)cc2[nH]cnc21 ZINC000503508464 567489935 /nfs/dbraw/zinc/48/99/35/567489935.db2.gz BFTXQANZHQJUJF-UHFFFAOYSA-N 1 2 396.248 3.441 10 0 GGAELO Cc1cc(Br)c(C(=O)N2CCN(c3c[nH+]ccc3C)CC2)s1 ZINC000457787362 567492139 /nfs/dbraw/zinc/49/21/39/567492139.db2.gz NNBUVNXMPFSHHM-UHFFFAOYSA-N 1 2 380.311 3.485 10 0 GGAELO Cc1ccc2c(c1C)OC[C@H]2[NH2+][C@@H](C(N)=O)c1cccc(Br)c1 ZINC000479040358 567498059 /nfs/dbraw/zinc/49/80/59/567498059.db2.gz MRDCROTVMYXHLJ-HZPDHXFCSA-N 1 2 375.266 3.316 10 0 GGAELO Cc1nn(C)c(C[NH2+][C@H]2CCc3ccccc3-n3ccnc32)c1Br ZINC000663350830 567499412 /nfs/dbraw/zinc/49/94/12/567499412.db2.gz GFJZQQPSLKBBEV-AWEZNQCLSA-N 1 2 386.297 3.454 10 0 GGAELO O=C([C@H](c1ccc(Br)cc1)[NH+]1CCCC1)N1CC[C@H]2COC[C@H]2C1 ZINC000620138338 567499490 /nfs/dbraw/zinc/49/94/90/567499490.db2.gz RMRLUJOAXHECDT-JZXOWHBKSA-N 1 2 393.325 3.081 10 0 GGAELO O=C([C@H](c1ccc(Br)cc1)[NH+]1CCCC1)N1CC[C@@H]2COC[C@@H]2C1 ZINC000620138340 567499622 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COc1ccc(Br)c(C[NH2+][C@@H]2CS(=O)(=O)Cc3ccccc32)c1 ZINC000621354354 567580861 /nfs/dbraw/zinc/58/08/61/567580861.db2.gz HEDNBTIGTXJKFB-QGZVFWFLSA-N 1 2 396.306 3.217 10 0 GGAELO COc1ccc(C[NH2+][C@H]2CS(=O)(=O)Cc3ccccc32)cc1Br ZINC000621358208 567580898 /nfs/dbraw/zinc/58/08/98/567580898.db2.gz BCXWVCAIVXQNKG-INIZCTEOSA-N 1 2 396.306 3.217 10 0 GGAELO O=S1(=O)Cc2ccccc2[C@H]([NH2+]Cc2ccc(Br)c(F)c2)C1 ZINC000621356389 567580972 /nfs/dbraw/zinc/58/09/72/567580972.db2.gz LLIOJKVDVVIECT-MRXNPFEDSA-N 1 2 384.270 3.348 10 0 GGAELO Cc1nc(C(F)(F)F)c(C[NH2+][C@H]2CS(=O)(=O)Cc3ccccc32)s1 ZINC000621355093 567581147 /nfs/dbraw/zinc/58/11/47/567581147.db2.gz BGCOBXCWZPKKIQ-LBPRGKRZSA-N 1 2 376.425 3.230 10 0 GGAELO COc1ccc(C[NH2+][C@@H]2CS(=O)(=O)Cc3ccccc32)c(Br)c1 ZINC000621353183 567581188 /nfs/dbraw/zinc/58/11/88/567581188.db2.gz NBRLLPYZVRTKBB-QGZVFWFLSA-N 1 2 396.306 3.217 10 0 GGAELO CC[N@H+](Cc1ccccc1Br)[C@@H]1CCN(c2cc(C)nn2C)C1=O ZINC000439325087 567582471 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AZGARAKLSBAXSZ-UHFFFAOYSA-N 1 2 380.945 3.059 10 0 GGAELO CN(C)c1ncc(C[NH+]2CCN(CCOc3ccc(Cl)cc3)CC2)s1 ZINC000506097882 567609771 /nfs/dbraw/zinc/60/97/71/567609771.db2.gz AZGARAKLSBAXSZ-UHFFFAOYSA-N 1 2 380.945 3.059 10 0 GGAELO FC(F)[C@@H]([NH2+]CCN1C[C@H]2CC[C@@H](C1)O2)c1ccc(Br)cc1 ZINC000621762713 567610506 /nfs/dbraw/zinc/61/05/06/567610506.db2.gz JJQWVYBCGPEOMW-ZNMIVQPWSA-N 1 2 375.257 3.208 10 0 GGAELO C[C@@H]1C[C@@H](NS(=O)(=O)c2cccc(Br)c2Cl)c2[nH+]ccn21 ZINC000572091471 567612586 /nfs/dbraw/zinc/61/25/86/567612586.db2.gz IEFJDZHIPCGDRB-PSASIEDQSA-N 1 2 390.690 3.283 10 0 GGAELO COC(=O)Cc1cc[nH+]c(N2CCc3c(F)cc(Br)cc3C2)c1 ZINC000596157663 567612870 /nfs/dbraw/zinc/61/28/70/567612870.db2.gz ASGQJHBDBZRZAF-UHFFFAOYSA-N 1 2 379.229 3.261 10 0 GGAELO COC(=O)Cc1cc[nH+]c(NC[C@@H](C)Oc2ccccc2Br)c1 ZINC000596151130 567613614 /nfs/dbraw/zinc/61/36/14/567613614.db2.gz OIFXNOUNBHHSCE-GFCCVEGCSA-N 1 2 379.254 3.439 10 0 GGAELO Cc1cccc2ncc(C[NH+]3CCN(c4ccc(Br)cn4)CC3)n21 ZINC000506195366 567614232 /nfs/dbraw/zinc/61/42/32/567614232.db2.gz VYBXSBDAGFAPNL-UHFFFAOYSA-N 1 2 386.297 3.122 10 0 GGAELO O=C1C[C@@H](c2ccccc2)[N@H+](Cc2cccc(O)c2Br)CCN1 ZINC000459333653 567615543 /nfs/dbraw/zinc/61/55/43/567615543.db2.gz ZOBKTMOAVIDPSQ-HNNXBMFYSA-N 1 2 375.266 3.218 10 0 GGAELO O=C1C[C@@H](c2ccccc2)[N@@H+](Cc2cccc(O)c2Br)CCN1 ZINC000459333653 567615547 /nfs/dbraw/zinc/61/55/47/567615547.db2.gz ZOBKTMOAVIDPSQ-HNNXBMFYSA-N 1 2 375.266 3.218 10 0 GGAELO CCOc1cc(C[N@H+](CC(N)=O)Cc2ccccc2)cc(Br)c1O ZINC000459354791 567616856 /nfs/dbraw/zinc/61/68/56/567616856.db2.gz SRUJDOFVEBSXNU-UHFFFAOYSA-N 1 2 393.281 3.041 10 0 GGAELO COC(=O)Cc1cc[nH+]c(N[C@H]2CCOc3c(Br)cccc32)c1 ZINC000596226340 567617252 /nfs/dbraw/zinc/61/72/52/567617252.db2.gz IMAHINCHYGQAFI-AWEZNQCLSA-N 1 2 377.238 3.495 10 0 GGAELO CCn1nncc1C[N@@H+]1CCC[C@H]1c1ccccc1I ZINC000459371308 567618350 /nfs/dbraw/zinc/61/83/50/567618350.db2.gz JCILCACSKGUQSG-HNNXBMFYSA-N 1 2 382.249 3.240 10 0 GGAELO CCn1nncc1C[N@H+]1CCC[C@H]1c1ccccc1I ZINC000459371308 567618354 /nfs/dbraw/zinc/61/83/54/567618354.db2.gz JCILCACSKGUQSG-HNNXBMFYSA-N 1 2 382.249 3.240 10 0 GGAELO COC(=O)c1cccc2c1CN(c1nc(C)[nH+]c(C)c1Br)CC2 ZINC000596290817 567621476 /nfs/dbraw/zinc/62/14/76/567621476.db2.gz DOXVMMYFLGMCPK-UHFFFAOYSA-N 1 2 376.254 3.205 10 0 GGAELO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000621942193 567623096 /nfs/dbraw/zinc/62/30/96/567623096.db2.gz NXGKNUOCVCSVQK-NHYWBVRUSA-N 1 2 380.286 3.342 10 0 GGAELO CO[C@@H](c1ccc(Br)cc1)[C@H](C)NC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000621942194 567623828 /nfs/dbraw/zinc/62/38/28/567623828.db2.gz NXGKNUOCVCSVQK-XHDPSFHLSA-N 1 2 380.286 3.342 10 0 GGAELO Cc1cc(Br)cn2cc(CNC(=O)NC[C@H](C)CC(F)F)[nH+]c12 ZINC000645433810 567624760 /nfs/dbraw/zinc/62/47/60/567624760.db2.gz DFIDOEYNMOJVFL-SECBINFHSA-N 1 2 389.244 3.496 10 0 GGAELO Cc1cc(Br)cn2cc(CNC(=O)N[C@@H]3CC[C@H]4C[C@H]4C3)[nH+]c12 ZINC000645434902 567624859 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COC(=O)Cc1cc[nH+]c(N2CCN(c3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000596427376 567631990 /nfs/dbraw/zinc/63/19/90/567631990.db2.gz LFVWHRXKYAAVHV-UHFFFAOYSA-N 1 2 380.275 3.431 10 0 GGAELO Cn1c[nH+]c(CCNC(=O)Nc2ccc(OCC(F)(F)F)c(Cl)c2)c1 ZINC000459552322 567635795 /nfs/dbraw/zinc/63/57/95/567635795.db2.gz VONLIHSNJGEVTI-UHFFFAOYSA-N 1 2 376.766 3.379 10 0 GGAELO CCOc1cc(C[N@@H+]2CCCC[C@@H]2CCS(C)(=O)=O)cc(Cl)c1O ZINC000459561741 567637415 /nfs/dbraw/zinc/63/74/15/567637415.db2.gz RZYYESDQOLEYOV-CQSZACIVSA-N 1 2 375.918 3.234 10 0 GGAELO CCOc1cc(C[N@H+]2CCCC[C@@H]2CCS(C)(=O)=O)cc(Cl)c1O ZINC000459561741 567637418 /nfs/dbraw/zinc/63/74/18/567637418.db2.gz RZYYESDQOLEYOV-CQSZACIVSA-N 1 2 375.918 3.234 10 0 GGAELO Cc1cc(CCNC(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)on1 ZINC000553237428 567637913 /nfs/dbraw/zinc/63/79/13/567637913.db2.gz BDEHJEOLGFSSMS-QGZVFWFLSA-N 1 2 392.297 3.241 10 0 GGAELO OC[C@]1(F)C[N@H+](Cc2cccc(O)c2Br)C[C@@H]1c1ccccc1 ZINC000459569128 567638294 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CCNC(=O)C1C[NH+](Cc2csc(-c3cccc(Br)c3)n2)C1 ZINC000459601892 567640715 /nfs/dbraw/zinc/64/07/15/567640715.db2.gz CWKVJJONHBUOMD-UHFFFAOYSA-N 1 2 380.311 3.141 10 0 GGAELO OCCC1C[NH+](Cc2cc(Br)ccc2OCc2ccccn2)C1 ZINC000459588047 567641372 /nfs/dbraw/zinc/64/13/72/567641372.db2.gz FLTDYYYNVPPESC-UHFFFAOYSA-N 1 2 377.282 3.237 10 0 GGAELO CC1(CO)C[NH+](Cc2cc(Br)ccc2OCc2ccccn2)C1 ZINC000459618839 567642926 /nfs/dbraw/zinc/64/29/26/567642926.db2.gz GKSLMYIXJTYOSG-UHFFFAOYSA-N 1 2 377.282 3.237 10 0 GGAELO C[C@@H](NC(=O)N1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1)c1csnn1 ZINC000665892714 567643439 /nfs/dbraw/zinc/64/34/39/567643439.db2.gz HGEFFNQOCRRMOC-OLZOCXBDSA-N 1 2 379.917 3.341 10 0 GGAELO C[C@@H](NC(=O)N1CC[NH+]([C@H](C)c2ccccc2Cl)CC1)c1csnn1 ZINC000665892713 567643523 /nfs/dbraw/zinc/64/35/23/567643523.db2.gz HGEFFNQOCRRMOC-CHWSQXEVSA-N 1 2 379.917 3.341 10 0 GGAELO Cn1ncc(Br)c1C[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459642278 567644041 /nfs/dbraw/zinc/64/40/41/567644041.db2.gz 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567647191 /nfs/dbraw/zinc/64/71/91/567647191.db2.gz IZBAPEHPZZMLDZ-LBPRGKRZSA-N 1 2 377.432 3.071 10 0 GGAELO Cc1csc(NC(=O)C[N@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)n1 ZINC000459658132 567647196 /nfs/dbraw/zinc/64/71/96/567647196.db2.gz IZBAPEHPZZMLDZ-LBPRGKRZSA-N 1 2 377.432 3.071 10 0 GGAELO Cc1csc(NC(=O)C[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)n1 ZINC000459658123 567647404 /nfs/dbraw/zinc/64/74/04/567647404.db2.gz IZBAPEHPZZMLDZ-GFCCVEGCSA-N 1 2 377.432 3.071 10 0 GGAELO Cc1csc(NC(=O)C[N@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)n1 ZINC000459658123 567647407 /nfs/dbraw/zinc/64/74/07/567647407.db2.gz IZBAPEHPZZMLDZ-GFCCVEGCSA-N 1 2 377.432 3.071 10 0 GGAELO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)C(C)(C)c1cccc(Br)c1 ZINC000553395911 567649449 /nfs/dbraw/zinc/64/94/49/567649449.db2.gz QSRLSSNRTZSFNG-RHSMWYFYSA-N 1 2 395.341 3.048 10 0 GGAELO Cc1c(Br)cncc1C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000666020592 567649748 /nfs/dbraw/zinc/64/97/48/567649748.db2.gz PQLSYWPQABZWOD-UHFFFAOYSA-N 1 2 375.270 3.078 10 0 GGAELO Cn1nccc1[C@@H](CO)[NH2+]Cc1csc(-c2cccc(Br)c2)n1 ZINC000459710761 567653474 /nfs/dbraw/zinc/65/34/74/567653474.db2.gz LKAGROIIUWVUBP-CQSZACIVSA-N 1 2 393.310 3.129 10 0 GGAELO CCN(Cc1cc(Br)ccc1F)C(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000666087060 567654511 /nfs/dbraw/zinc/65/45/11/567654511.db2.gz MHLALDOWUDZYOL-NSHDSACASA-N 1 2 380.261 3.465 10 0 GGAELO CCN(Cc1cc(Br)ccc1F)C(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000666087060 567654518 /nfs/dbraw/zinc/65/45/18/567654518.db2.gz MHLALDOWUDZYOL-NSHDSACASA-N 1 2 380.261 3.465 10 0 GGAELO Cn1nccc1[C@@H](CO)[NH2+]Cc1cc(C(F)(F)F)ccc1Br ZINC000459721955 567655213 /nfs/dbraw/zinc/65/52/13/567655213.db2.gz UJUJXUWKJJZJLK-GFCCVEGCSA-N 1 2 378.192 3.025 10 0 GGAELO O=C(CN1Cc2ccc(Cl)cc2C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000459774129 567657696 /nfs/dbraw/zinc/65/76/96/567657696.db2.gz WHKRTAIJWAVJTG-UHFFFAOYSA-N 1 2 375.925 3.062 10 0 GGAELO O=C([C@H]1CCc2[nH+]c[nH]c2C1)N1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000666167379 567657653 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O=C(NC[C@@H]1CC[NH2+]CC1(F)F)c1cc2c(cc(Br)cc2F)[nH]1 ZINC000572777052 567664028 /nfs/dbraw/zinc/66/40/28/567664028.db2.gz BCTCOFHGQJVNBW-QMMMGPOBSA-N 1 2 390.203 3.044 10 0 GGAELO COc1ccc(Br)cc1[C@@H]1CCC[N@@H+]1CC(=O)N(C)CC1CC1 ZINC000507213667 567667166 /nfs/dbraw/zinc/66/71/66/567667166.db2.gz WNNMYDHSEGLDJM-INIZCTEOSA-N 1 2 381.314 3.463 10 0 GGAELO COc1ccc(Br)cc1[C@@H]1CCC[N@H+]1CC(=O)N(C)CC1CC1 ZINC000507213667 567667175 /nfs/dbraw/zinc/66/71/75/567667175.db2.gz WNNMYDHSEGLDJM-INIZCTEOSA-N 1 2 381.314 3.463 10 0 GGAELO Cc1nnc(C[NH2+][C@@H]2CC(=O)N(C(C)C)[C@H]2c2ccc(Cl)c(F)c2)s1 ZINC000572816139 567669029 /nfs/dbraw/zinc/66/90/29/567669029.db2.gz UIKRLXNSUNLHMD-PBHICJAKSA-N 1 2 382.892 3.479 10 0 GGAELO CCC[C@H](C)Sc1nc2ccsc2c(=O)n1CCC[NH+]1CCOCC1 ZINC000481314349 567670795 /nfs/dbraw/zinc/67/07/95/567670795.db2.gz BFMURMSPBNQVCW-AWEZNQCLSA-N 1 2 381.567 3.461 10 0 GGAELO C[C@@H]1CCC[N@H+](CCCCNC(=O)N=c2nc(-c3ccsc3)[nH]s2)C1 ZINC000460131225 567673638 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/nfs/dbraw/zinc/72/05/38/567720538.db2.gz HRALSMVTDCVUTR-JSGCOSHPSA-N 1 2 392.297 3.402 10 0 GGAELO O=C(NCC[NH+]1CCOCC1)N1CCC(c2cccc(Cl)c2Cl)CC1 ZINC000461113951 567721413 /nfs/dbraw/zinc/72/14/13/567721413.db2.gz YHBSQDIIJSULQD-UHFFFAOYSA-N 1 2 386.323 3.215 10 0 GGAELO COc1ccccc1O[C@@H]1CCC[N@H+](Cc2c(Br)cnn2C)C1 ZINC000573552729 567721435 /nfs/dbraw/zinc/72/14/35/567721435.db2.gz AKKWFCDLEXCVLN-CYBMUJFWSA-N 1 2 380.286 3.235 10 0 GGAELO COc1ccccc1O[C@@H]1CCC[N@@H+](Cc2c(Br)cnn2C)C1 ZINC000573552729 567721441 /nfs/dbraw/zinc/72/14/41/567721441.db2.gz AKKWFCDLEXCVLN-CYBMUJFWSA-N 1 2 380.286 3.235 10 0 GGAELO CCS[C@H]1CC[C@H](N(C)S(=O)(=O)c2ccccc2Cn2cc[nH+]c2)C1 ZINC000443008270 567722882 /nfs/dbraw/zinc/72/28/82/567722882.db2.gz SJABTDJTNRHAHP-IRXDYDNUSA-N 1 2 379.551 3.226 10 0 GGAELO CCn1nncc1C[NH2+]Cc1cc(Br)c(C)cc1Br ZINC000623584174 567723235 /nfs/dbraw/zinc/72/32/35/567723235.db2.gz NOHQLKMKUMWYLJ-UHFFFAOYSA-N 1 2 388.107 3.421 10 0 GGAELO Cn1ncc(C(F)(F)F)c1C[NH2+]Cc1cn2ccc(Br)cc2n1 ZINC000623600413 567724855 /nfs/dbraw/zinc/72/48/55/567724855.db2.gz MRARZTIPQCVHOA-UHFFFAOYSA-N 1 2 388.191 3.139 10 0 GGAELO COc1cc(Br)ccc1[C@@H]1CCCN1C(=O)NCc1[nH+]ccn1C ZINC000623632993 567726260 /nfs/dbraw/zinc/72/62/60/567726260.db2.gz ZPGUETIFYDHXNW-AWEZNQCLSA-N 1 2 393.285 3.238 10 0 GGAELO C[C@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)NCc1[nH+]ccn1C ZINC000623632779 567726597 /nfs/dbraw/zinc/72/65/97/567726597.db2.gz ODPSVBOTNBUYQN-JSGCOSHPSA-N 1 2 377.286 3.270 10 0 GGAELO O=C(NCCCNc1cccc[nH+]1)NCc1ccc(Br)c(F)c1F ZINC000623628016 567726684 /nfs/dbraw/zinc/72/66/84/567726684.db2.gz ZTDGGWQATTYJDM-UHFFFAOYSA-N 1 2 399.239 3.424 10 0 GGAELO O=C(NCCc1cn2ccccc2[nH+]1)[C@@H]1CCc2cc(Br)ccc21 ZINC000573686537 567729983 /nfs/dbraw/zinc/72/99/83/567729983.db2.gz YUUHPJXYLWZHCI-QGZVFWFLSA-N 1 2 384.277 3.486 10 0 GGAELO CC[C@H](NC(=O)c1cc(=O)[nH]c2ccc(Br)cc21)c1[nH]cc[nH+]1 ZINC000443110831 567732396 /nfs/dbraw/zinc/73/23/96/567732396.db2.gz BWWWXOFSAYVNPP-LBPRGKRZSA-N 1 2 375.226 3.307 10 0 GGAELO C[NH+](C)Cc1ccc(NS(=O)(=O)c2ccsc2)cc1Br ZINC000508188545 567735836 /nfs/dbraw/zinc/73/58/36/567735836.db2.gz WLWIGHWKLLPNEJ-UHFFFAOYSA-N 1 2 375.313 3.373 10 0 GGAELO C[C@H](NC(=O)N1CCOC[C@H]1c1ccc(Br)cc1)c1[nH+]ccn1C ZINC000667246685 567737743 /nfs/dbraw/zinc/73/77/43/567737743.db2.gz NBZTZTQZJOMELO-WFASDCNBSA-N 1 2 393.285 3.027 10 0 GGAELO C[C@@H](NC(=O)N1CCC[C@H]1c1ccc(Br)cn1)c1[nH+]ccn1C ZINC000667248050 567737963 /nfs/dbraw/zinc/73/79/63/567737963.db2.gz QLOYENHOPBOJGQ-RISCZKNCSA-N 1 2 378.274 3.185 10 0 GGAELO C[C@H](NC(=O)N(C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O)c1[nH+]ccn1C ZINC000667250357 567737983 /nfs/dbraw/zinc/73/79/83/567737983.db2.gz MUPUIZVAFKADGM-TZTCFGBESA-N 1 2 383.279 3.088 10 0 GGAELO C[C@H](NC(=O)N(CCCO)Cc1ccc(Cl)c(Cl)c1)c1[nH+]ccn1C ZINC000667256229 567739440 /nfs/dbraw/zinc/73/94/40/567739440.db2.gz HKMFDAFALNAMAC-LBPRGKRZSA-N 1 2 385.295 3.382 10 0 GGAELO Cc1cn2c([nH+]1)C[C@@H](C(=O)N(C)Cc1cc(Br)ccc1F)CC2 ZINC000623859928 567741776 /nfs/dbraw/zinc/74/17/76/567741776.db2.gz BIKCCLDHCOIIKS-LBPRGKRZSA-N 1 2 380.261 3.314 10 0 GGAELO COc1cc(C[N@H+](C)[C@@H](C(N)=O)c2ccc(Br)cc2)cc(OC)c1 ZINC000532929133 567743282 /nfs/dbraw/zinc/74/32/82/567743282.db2.gz XXYREUZYQGHGNX-QGZVFWFLSA-N 1 2 393.281 3.125 10 0 GGAELO COc1cc(C[N@@H+](C)[C@@H](C(N)=O)c2ccc(Br)cc2)cc(OC)c1 ZINC000532929133 567743284 /nfs/dbraw/zinc/74/32/84/567743284.db2.gz XXYREUZYQGHGNX-QGZVFWFLSA-N 1 2 393.281 3.125 10 0 GGAELO CSc1cc(Cl)ccc1NC(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000667382250 567743547 /nfs/dbraw/zinc/74/35/47/567743547.db2.gz ZFZVRPBCOKAPMI-UHFFFAOYSA-N 1 2 379.917 3.145 10 0 GGAELO CC(C)(CNC(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1)C(F)(F)F ZINC000554715723 567744530 /nfs/dbraw/zinc/74/45/30/567744530.db2.gz FIXSXHDVXUCGED-GFCCVEGCSA-N 1 2 379.448 3.009 10 0 GGAELO Cc1cc(Br)c(F)c(C(=O)NCCc2cn3c([nH+]2)CCCC3)c1 ZINC000623908173 567744998 /nfs/dbraw/zinc/74/49/98/567744998.db2.gz RAPYOKLXPPVJGJ-UHFFFAOYSA-N 1 2 380.261 3.402 10 0 GGAELO Cc1cc(Br)ccc1CN(C)C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000508431523 567748199 /nfs/dbraw/zinc/74/81/99/567748199.db2.gz FDTWWPFFZSFWLO-SFHVURJKSA-N 1 2 395.341 3.359 10 0 GGAELO Cc1cc(Br)ccc1CN(C)C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000508431523 567748202 /nfs/dbraw/zinc/74/82/02/567748202.db2.gz FDTWWPFFZSFWLO-SFHVURJKSA-N 1 2 395.341 3.359 10 0 GGAELO Cc1cc(Br)ccc1CN(C)C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000508431521 567748824 /nfs/dbraw/zinc/74/88/24/567748824.db2.gz FDTWWPFFZSFWLO-GOSISDBHSA-N 1 2 395.341 3.359 10 0 GGAELO Cc1cc(Br)ccc1CN(C)C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000508431521 567748828 /nfs/dbraw/zinc/74/88/28/567748828.db2.gz FDTWWPFFZSFWLO-GOSISDBHSA-N 1 2 395.341 3.359 10 0 GGAELO Fc1cncc(Br)c1C[N@@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000667490942 567750341 /nfs/dbraw/zinc/75/03/41/567750341.db2.gz VYBANQUBLMUVSA-GFCCVEGCSA-N 1 2 390.260 3.406 10 0 GGAELO Fc1cncc(Br)c1C[N@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000667490942 567750342 /nfs/dbraw/zinc/75/03/42/567750342.db2.gz VYBANQUBLMUVSA-GFCCVEGCSA-N 1 2 390.260 3.406 10 0 GGAELO Cn1ncc(C2CCC2)c1C[NH+]1CCN(c2ccc(Br)cn2)CC1 ZINC000667498395 567750638 /nfs/dbraw/zinc/75/06/38/567750638.db2.gz HDOWKZUKAZRYCF-UHFFFAOYSA-N 1 2 390.329 3.167 10 0 GGAELO COc1ncc(C[NH+]2CCN(c3ccc(Br)cn3)CC2)cc1Cl ZINC000533098967 567752717 /nfs/dbraw/zinc/75/27/17/567752717.db2.gz UYAGIGQCSVNQBJ-UHFFFAOYSA-N 1 2 397.704 3.223 10 0 GGAELO CCn1nccc1CC[N@@H+]1CCO[C@H](c2ccc(F)c(Br)c2)C1 ZINC000574090956 567755029 /nfs/dbraw/zinc/75/50/29/567755029.db2.gz FAYXMLVISUQSEQ-KRWDZBQOSA-N 1 2 382.277 3.421 10 0 GGAELO CCn1nccc1CC[N@H+]1CCO[C@H](c2ccc(F)c(Br)c2)C1 ZINC000574090956 567755037 /nfs/dbraw/zinc/75/50/37/567755037.db2.gz FAYXMLVISUQSEQ-KRWDZBQOSA-N 1 2 382.277 3.421 10 0 GGAELO CC(C)Cc1nnc(N2CC[NH+](Cc3ccc(Br)cc3)CC2)n1C ZINC000508584144 567755728 /nfs/dbraw/zinc/75/57/28/567755728.db2.gz UQMGTOUBIMRTTK-UHFFFAOYSA-N 1 2 392.345 3.098 10 0 GGAELO CC(C)[C@@H](C)NC(=O)C1CC[NH+](Cc2c(F)cncc2Br)CC1 ZINC000667568689 567757753 /nfs/dbraw/zinc/75/77/53/567757753.db2.gz MXYIQSSPAYOWRI-GFCCVEGCSA-N 1 2 386.309 3.356 10 0 GGAELO C[C@@H](Nc1cc[nH+]c(C2CC2)n1)c1ccc(Br)cc1OCCCO ZINC000462000174 567758387 /nfs/dbraw/zinc/75/83/87/567758387.db2.gz ONECECGBLRPIFO-GFCCVEGCSA-N 1 2 392.297 3.473 10 0 GGAELO C[C@H](c1cccnc1)[NH+]1CCN(Cc2c(F)cncc2Br)CC1 ZINC000667637163 567760538 /nfs/dbraw/zinc/76/05/38/567760538.db2.gz KIVNORKZNDXPLK-CYBMUJFWSA-N 1 2 379.277 3.257 10 0 GGAELO CN(Cc1cc[nH]n1)Cc1cc(Br)c(O)c(Br)c1 ZINC000667617808 567761345 /nfs/dbraw/zinc/76/13/45/567761345.db2.gz APVGVDIBUPBMNQ-UHFFFAOYSA-N 1 2 375.064 3.272 10 0 GGAELO C[N@H+](Cc1cc[nH]n1)Cc1cc(Br)c(O)c(Br)c1 ZINC000667617808 567761347 /nfs/dbraw/zinc/76/13/47/567761347.db2.gz APVGVDIBUPBMNQ-UHFFFAOYSA-N 1 2 375.064 3.272 10 0 GGAELO C[N@@H+](Cc1cc[nH]n1)Cc1cc(Br)c(O)c(Br)c1 ZINC000667617808 567761354 /nfs/dbraw/zinc/76/13/54/567761354.db2.gz APVGVDIBUPBMNQ-UHFFFAOYSA-N 1 2 375.064 3.272 10 0 GGAELO CC(C)c1nnc(N2CC[NH+](Cc3ccc(Br)cc3)CC2)n1C ZINC000508683937 567762107 /nfs/dbraw/zinc/76/21/07/567762107.db2.gz UAENKNOHOYKADD-UHFFFAOYSA-N 1 2 378.318 3.023 10 0 GGAELO O=S(=O)(NCc1[nH+]ccn1CC(F)(F)F)c1ccc(C(F)(F)F)s1 ZINC000462052699 567762747 /nfs/dbraw/zinc/76/27/47/567762747.db2.gz BEKSXTKBYQCIGP-UHFFFAOYSA-N 1 2 393.334 3.004 10 0 GGAELO C[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(C(F)(F)F)s2)[C@@H]1c1ccccc1 ZINC000462060724 567763613 /nfs/dbraw/zinc/76/36/13/567763613.db2.gz UIKJFPNFXWGCQA-WFASDCNBSA-N 1 2 390.452 3.491 10 0 GGAELO C[N@H+]1CC[C@H](NS(=O)(=O)c2ccc(C(F)(F)F)s2)[C@@H]1c1ccccc1 ZINC000462060724 567763617 /nfs/dbraw/zinc/76/36/17/567763617.db2.gz UIKJFPNFXWGCQA-WFASDCNBSA-N 1 2 390.452 3.491 10 0 GGAELO CCn1cc[nH+]c1CNC(=O)N1CCc2cc(F)cc(Br)c2C1 ZINC000624150572 567763791 /nfs/dbraw/zinc/76/37/91/567763791.db2.gz NWIJVLGKOXAAFS-UHFFFAOYSA-N 1 2 381.249 3.073 10 0 GGAELO CN(C[C@@H]1CCS(=O)(=O)C1)c1cc[nH+]c2c(Br)ccc(F)c12 ZINC000443515730 567763883 /nfs/dbraw/zinc/76/38/83/567763883.db2.gz DAYDKZYCFJJYRY-JTQLQIEISA-N 1 2 387.274 3.007 10 0 GGAELO Cn1ncc(C(F)(F)F)c1C[N@H+](C)[C@H](CO)c1cccc(Br)c1 ZINC000667683324 567765272 /nfs/dbraw/zinc/76/52/72/567765272.db2.gz MHUSTKIHZDZOJP-CQSZACIVSA-N 1 2 392.219 3.367 10 0 GGAELO Cn1ncc(C(F)(F)F)c1C[N@@H+](C)[C@H](CO)c1cccc(Br)c1 ZINC000667683324 567765278 /nfs/dbraw/zinc/76/52/78/567765278.db2.gz MHUSTKIHZDZOJP-CQSZACIVSA-N 1 2 392.219 3.367 10 0 GGAELO O=C(C[N@H+](Cc1cscc1C(F)(F)F)C[C@@H]1CCCO1)N1CCCC1 ZINC000555092566 567768097 /nfs/dbraw/zinc/76/80/97/567768097.db2.gz JADXFBVMZSBQBU-AWEZNQCLSA-N 1 2 376.444 3.370 10 0 GGAELO O=C(C[N@@H+](Cc1cscc1C(F)(F)F)C[C@@H]1CCCO1)N1CCCC1 ZINC000555092566 567768102 /nfs/dbraw/zinc/76/81/02/567768102.db2.gz JADXFBVMZSBQBU-AWEZNQCLSA-N 1 2 376.444 3.370 10 0 GGAELO Clc1cccc(C[NH+]2CCN(c3nnc(C4CCOCC4)s3)CC2)c1 ZINC000555119323 567769335 /nfs/dbraw/zinc/76/93/35/567769335.db2.gz DHHALSSRQUDGDX-UHFFFAOYSA-N 1 2 378.929 3.408 10 0 GGAELO Fc1cncc(Br)c1C[N@@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000667712250 567770506 /nfs/dbraw/zinc/77/05/06/567770506.db2.gz AMXUCJXMONDVRC-LLVKDONJSA-N 1 2 380.265 3.358 10 0 GGAELO Fc1cncc(Br)c1C[N@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000667712250 567770509 /nfs/dbraw/zinc/77/05/09/567770509.db2.gz AMXUCJXMONDVRC-LLVKDONJSA-N 1 2 380.265 3.358 10 0 GGAELO O=C(Nc1cc(Cl)ccc1N1CCSCC1)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000667738493 567771827 /nfs/dbraw/zinc/77/18/27/567771827.db2.gz PPDBXRRNVNOJSO-GFCCVEGCSA-N 1 2 376.913 3.360 10 0 GGAELO O=C(Nc1cc(Cl)ccc1N1CCSCC1)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000667738493 567771830 /nfs/dbraw/zinc/77/18/30/567771830.db2.gz PPDBXRRNVNOJSO-GFCCVEGCSA-N 1 2 376.913 3.360 10 0 GGAELO Cc1c(Cl)c(C[NH2+][C@@H](CCO)c2cccc(OC(F)(F)F)c2)nn1C ZINC000647236101 567773108 /nfs/dbraw/zinc/77/31/08/567773108.db2.gz SVEQZPOYMXFREF-ZDUSSCGKSA-N 1 2 377.794 3.494 10 0 GGAELO O=C(CCOCC(F)F)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000555245116 567776500 /nfs/dbraw/zinc/77/65/00/567776500.db2.gz BYSLSUBBPINJHH-UHFFFAOYSA-N 1 2 395.277 3.352 10 0 GGAELO Cc1cc(Br)cn2cc(CNC(=O)NCC[C@H]3CCCOC3)[nH+]c12 ZINC000624451961 567780609 /nfs/dbraw/zinc/78/06/09/567780609.db2.gz DCXWNBFZMZLRJV-CYBMUJFWSA-N 1 2 395.301 3.021 10 0 GGAELO CC[N@@H+]1CCO[C@H](c2nc(Cc3ccc(Cl)cc3Br)no2)C1 ZINC000647416040 567784258 /nfs/dbraw/zinc/78/42/58/567784258.db2.gz DZIUVDQISHKKGP-ZDUSSCGKSA-N 1 2 386.677 3.470 10 0 GGAELO CC[N@H+]1CCO[C@H](c2nc(Cc3ccc(Cl)cc3Br)no2)C1 ZINC000647416040 567784264 /nfs/dbraw/zinc/78/42/64/567784264.db2.gz DZIUVDQISHKKGP-ZDUSSCGKSA-N 1 2 386.677 3.470 10 0 GGAELO Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@@H]1CCOc3ccc(Br)cc31)CC2 ZINC000624548521 567786371 /nfs/dbraw/zinc/78/63/71/567786371.db2.gz RCVHXCZQLGHBRS-IUODEOHRSA-N 1 2 390.281 3.156 10 0 GGAELO COc1cc(Br)c(NC(=O)[C@@H]2CCn3cc(C)[nH+]c3C2)cc1OC ZINC000624540014 567786554 /nfs/dbraw/zinc/78/65/54/567786554.db2.gz AELDBIRUPSZGSB-LLVKDONJSA-N 1 2 394.269 3.172 10 0 GGAELO COc1cccc(N2C[C@H]([NH2+][C@H](C)c3ncc(Br)s3)CC2=O)c1 ZINC000533786625 567786949 /nfs/dbraw/zinc/78/69/49/567786949.db2.gz XGXAKYGLPOGYCZ-GHMZBOCLSA-N 1 2 396.310 3.370 10 0 GGAELO COc1cccc(N2C[C@@H]([NH2+][C@H](C)c3ncc(Br)s3)CC2=O)c1 ZINC000533786626 567787515 /nfs/dbraw/zinc/78/75/15/567787515.db2.gz XGXAKYGLPOGYCZ-MNOVXSKESA-N 1 2 396.310 3.370 10 0 GGAELO CN(C)c1[nH+]cccc1N(C)S(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000444058743 567787696 /nfs/dbraw/zinc/78/76/96/567787696.db2.gz YNCYEVGGVLLXLC-UHFFFAOYSA-N 1 2 377.363 3.131 10 0 GGAELO CN(CC1CC1)C(=O)C[N@@H+]1CCC[C@@H]1c1ccc(I)cc1 ZINC000533835074 567789417 /nfs/dbraw/zinc/78/94/17/567789417.db2.gz OLNSOXUCHLBKMR-MRXNPFEDSA-N 1 2 398.288 3.297 10 0 GGAELO CN(CC1CC1)C(=O)C[N@H+]1CCC[C@@H]1c1ccc(I)cc1 ZINC000533835074 567789422 /nfs/dbraw/zinc/78/94/22/567789422.db2.gz OLNSOXUCHLBKMR-MRXNPFEDSA-N 1 2 398.288 3.297 10 0 GGAELO O=C(NCC[NH+]1Cc2ccccc2C1)[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000624596891 567790686 /nfs/dbraw/zinc/79/06/86/567790686.db2.gz NMNPLJDWSRQMDC-YZGWKJHDSA-N 1 2 397.316 3.467 10 0 GGAELO Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@@H](C)Cc1cccc(Br)c1)CC2 ZINC000624628745 567791128 /nfs/dbraw/zinc/79/11/28/567791128.db2.gz NSDCRMSTRMBNHW-SWLSCSKDSA-N 1 2 376.298 3.264 10 0 GGAELO COC[C@@H](CC[NH2+]Cc1cc(Br)c(O)c(Br)c1)OC ZINC000668449218 567809977 /nfs/dbraw/zinc/80/99/77/567809977.db2.gz GRNFWAIKEGRQGX-SNVBAGLBSA-N 1 2 397.107 3.058 10 0 GGAELO COc1cc(NC(=O)NCCc2cn(C)c[nH+]2)c(Cl)cc1Br ZINC000668036873 567792216 /nfs/dbraw/zinc/79/22/16/567792216.db2.gz GNIRXHWMVZGOPG-UHFFFAOYSA-N 1 2 387.665 3.209 10 0 GGAELO C[C@@H]1C[N@@H+](Cc2cc(Br)c(O)c(Br)c2)C[C@H](C)[C@H]1O ZINC000668554304 567813630 /nfs/dbraw/zinc/81/36/30/567813630.db2.gz NGXIXICJRKMOKR-WOFXILAISA-N 1 2 393.119 3.366 10 0 GGAELO C[C@@H]1C[N@H+](Cc2cc(Br)c(O)c(Br)c2)C[C@H](C)[C@H]1O ZINC000668554304 567813632 /nfs/dbraw/zinc/81/36/32/567813632.db2.gz NGXIXICJRKMOKR-WOFXILAISA-N 1 2 393.119 3.366 10 0 GGAELO Cc1csc(NC(=O)CN2CC[NH+]([C@H](C)c3ccc(Cl)cc3)CC2)n1 ZINC000444171061 567794966 /nfs/dbraw/zinc/79/49/66/567794966.db2.gz OORYWMJGJKHPSV-CQSZACIVSA-N 1 2 378.929 3.422 10 0 GGAELO Cc1cc(Br)cn2cc(CN3C(=O)N[C@@H](CC(C)(C)C)C3=O)[nH+]c12 ZINC000647666026 567796089 /nfs/dbraw/zinc/79/60/89/567796089.db2.gz YRZIJWPZHSMGQX-ZDUSSCGKSA-N 1 2 393.285 3.262 10 0 GGAELO COc1c(Br)cc(Br)cc1C[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000668598179 567814738 /nfs/dbraw/zinc/81/47/38/567814738.db2.gz HKLLSIBLDVPBFF-IINYFYTJSA-N 1 2 391.103 3.177 10 0 GGAELO Clc1cc(Br)cnc1NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000624705015 567796636 /nfs/dbraw/zinc/79/66/36/567796636.db2.gz HRKRQTGJKYMYGU-AWEZNQCLSA-N 1 2 397.704 3.205 10 0 GGAELO Clc1cc(Br)cnc1NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000624705015 567796638 /nfs/dbraw/zinc/79/66/38/567796638.db2.gz HRKRQTGJKYMYGU-AWEZNQCLSA-N 1 2 397.704 3.205 10 0 GGAELO O=C(Cc1ccc(Br)cc1F)NCc1[nH+]ccn1CC(F)(F)F ZINC000668106535 567796814 /nfs/dbraw/zinc/79/68/14/567796814.db2.gz DVVFTNUDLUZZDW-UHFFFAOYSA-N 1 2 394.166 3.206 10 0 GGAELO O=C1N[C@H](c2cccs2)C(=O)N1CC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000555748277 567797052 /nfs/dbraw/zinc/79/70/52/567797052.db2.gz OTBIMNILNIAEHQ-MRXNPFEDSA-N 1 2 375.881 3.053 10 0 GGAELO O=C1N[C@H](c2cccs2)C(=O)N1CC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000555748277 567797058 /nfs/dbraw/zinc/79/70/58/567797058.db2.gz OTBIMNILNIAEHQ-MRXNPFEDSA-N 1 2 375.881 3.053 10 0 GGAELO COc1c(Br)cc(Br)cc1C[N@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000668598179 567814740 /nfs/dbraw/zinc/81/47/40/567814740.db2.gz HKLLSIBLDVPBFF-IINYFYTJSA-N 1 2 391.103 3.177 10 0 GGAELO C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CC=C(c2ccc(Cl)c(Cl)c2)CC1 ZINC000624735636 567797946 /nfs/dbraw/zinc/79/79/46/567797946.db2.gz XABMRLKQYABWNE-HNNXBMFYSA-N 1 2 384.307 3.123 10 0 GGAELO C[N@H+]1CCOC[C@@H]1CNC(=O)N1CC=C(c2ccc(Cl)c(Cl)c2)CC1 ZINC000624735636 567797948 /nfs/dbraw/zinc/79/79/48/567797948.db2.gz XABMRLKQYABWNE-HNNXBMFYSA-N 1 2 384.307 3.123 10 0 GGAELO C[N@@H+]1CCOC[C@@H]1CNC(=O)N[C@@H](c1cccs1)c1ccc(Cl)cc1 ZINC000624742838 567798229 /nfs/dbraw/zinc/79/82/29/567798229.db2.gz ZTFJROUQHZRENR-DOTOQJQBSA-N 1 2 379.913 3.121 10 0 GGAELO C[N@H+]1CCOC[C@@H]1CNC(=O)N[C@@H](c1cccs1)c1ccc(Cl)cc1 ZINC000624742838 567798233 /nfs/dbraw/zinc/79/82/33/567798233.db2.gz ZTFJROUQHZRENR-DOTOQJQBSA-N 1 2 379.913 3.121 10 0 GGAELO C[N@@H+]1CCOC[C@@H]1CNC(=O)N[C@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000624738658 567798269 /nfs/dbraw/zinc/79/82/69/567798269.db2.gz LPPMFTLXTFWNKP-IRXDYDNUSA-N 1 2 379.913 3.121 10 0 GGAELO C[N@H+]1CCOC[C@@H]1CNC(=O)N[C@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000624738658 567798273 /nfs/dbraw/zinc/79/82/73/567798273.db2.gz LPPMFTLXTFWNKP-IRXDYDNUSA-N 1 2 379.913 3.121 10 0 GGAELO C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000574830457 567799522 /nfs/dbraw/zinc/79/95/22/567799522.db2.gz SIRIZDSBKOGIGA-KCQAQPDRSA-N 1 2 387.307 3.082 10 0 GGAELO Cc1cn2c([nH+]1)C[C@H](C(=O)Nc1ccc(C)c(I)c1)CC2 ZINC000598966616 567800788 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C[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(F)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534351159 567808224 /nfs/dbraw/zinc/80/82/24/567808224.db2.gz PDSSYUSESAEMDZ-SJORKVTESA-N 1 2 386.851 3.342 10 0 GGAELO C[N@H+]1CC[C@@H](NS(=O)(=O)c2ccc(F)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534351159 567808229 /nfs/dbraw/zinc/80/82/29/567808229.db2.gz PDSSYUSESAEMDZ-SJORKVTESA-N 1 2 386.851 3.342 10 0 GGAELO Cn1cc([C@@H]([NH2+]Cc2c(F)cccc2Br)C2(CO)CCC2)cn1 ZINC000647944554 567808373 /nfs/dbraw/zinc/80/83/73/567808373.db2.gz ILHUMSUBWOLKJA-MRXNPFEDSA-N 1 2 382.277 3.315 10 0 GGAELO COC[C@H](CC[NH2+]Cc1cc(Br)c(O)c(Br)c1)OC ZINC000668449217 567809808 /nfs/dbraw/zinc/80/98/08/567809808.db2.gz GRNFWAIKEGRQGX-JTQLQIEISA-N 1 2 397.107 3.058 10 0 GGAELO C[N@H+](Cc1cn2cc(Br)ccc2n1)[C@H]1CCN(c2ccccc2)C1=O ZINC000599197274 567810181 /nfs/dbraw/zinc/81/01/81/567810181.db2.gz XSTYTABWEBUHKE-KRWDZBQOSA-N 1 2 399.292 3.334 10 0 GGAELO C[N@@H+]1CC[C@H](NC(=O)CCn2cc(Cl)cn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534393728 567810124 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ZINC000012985073 570948042 /nfs/dbraw/zinc/94/80/42/570948042.db2.gz RPAFNBMTQURCLU-HUUCEWRRSA-N 1 2 385.430 3.055 10 0 GGAELO CCN(C(=O)C[NH+]1CCC(Nc2cccnn2)CC1)c1nc2ccccc2s1 ZINC000106081928 570948113 /nfs/dbraw/zinc/94/81/13/570948113.db2.gz RYDTZMJSWSRWQZ-UHFFFAOYSA-N 1 2 396.520 3.016 10 0 GGAELO C[C@@H]1CCC[C@H](C)[C@@]12NC(=O)N(C[N@H+](C)CCOc1ccc(Cl)cc1)C2=O ZINC000252444543 570957667 /nfs/dbraw/zinc/95/76/67/570957667.db2.gz ZULZVZFSSQRILJ-QVDMIQRCSA-N 1 2 393.915 3.355 10 0 GGAELO C[C@@H]1CCC[C@H](C)[C@@]12NC(=O)N(C[N@@H+](C)CCOc1ccc(Cl)cc1)C2=O ZINC000252444543 570957669 /nfs/dbraw/zinc/95/76/69/570957669.db2.gz ZULZVZFSSQRILJ-QVDMIQRCSA-N 1 2 393.915 3.355 10 0 GGAELO Cc1cccc(OCC(=O)N2CCC[C@H](Nc3ccc(N(C)C)[nH+]c3)CC2)c1 ZINC000252490925 570973700 /nfs/dbraw/zinc/97/37/00/570973700.db2.gz LFBQMRCZWWPHQA-SFHVURJKSA-N 1 2 382.508 3.328 10 0 GGAELO CCOc1ccccc1-c1noc(C[NH+]2CCN(c3ccccc3OC)CC2)n1 ZINC000054582706 570976067 /nfs/dbraw/zinc/97/60/67/570976067.db2.gz KICZDUDKFJBPDV-UHFFFAOYSA-N 1 2 394.475 3.466 10 0 GGAELO Cc1cc(N2CCN([C@H](C)C(=O)N[C@@H](C)c3ccccc3)CC2)nc(C(C)C)[nH+]1 ZINC000012733220 570976314 /nfs/dbraw/zinc/97/63/14/570976314.db2.gz ODTZOJWWXXOJQB-RBUKOAKNSA-N 1 2 395.551 3.296 10 0 GGAELO CN(C)c1ccc(N[C@@H]2CCCN(C(=O)c3cccc4nc[nH]c43)CC2)c[nH+]1 ZINC000252532842 570989223 /nfs/dbraw/zinc/98/92/23/570989223.db2.gz FIBOESKENFTUCJ-OAHLLOKOSA-N 1 2 378.480 3.131 10 0 GGAELO O=C(C[NH+]1CCC(C(=O)N2CCCCCC2)CC1)Nc1cc(F)cc(F)c1 ZINC000012753181 571006746 /nfs/dbraw/zinc/00/67/46/571006746.db2.gz LPRMZDWYANDSJM-UHFFFAOYSA-N 1 2 379.451 3.018 10 0 GGAELO Cc1ccc([C@H](CNC(=O)[C@H]2C[C@@H]2c2cccc(F)c2)[NH+]2CCOCC2)s1 ZINC000084205295 571009569 /nfs/dbraw/zinc/00/95/69/571009569.db2.gz XYWJUVMSFLTAND-QYZOEREBSA-N 1 2 388.508 3.489 10 0 GGAELO Cc1ccc(-c2cc(NC(=O)C[N@@H+](C)Cc3ccc4c(c3)OCO4)on2)cc1 ZINC000007641637 571010051 /nfs/dbraw/zinc/01/00/51/571010051.db2.gz XROBUCIMWITFBJ-UHFFFAOYSA-N 1 2 379.416 3.449 10 0 GGAELO Cc1ccc(-c2cc(NC(=O)C[N@H+](C)Cc3ccc4c(c3)OCO4)on2)cc1 ZINC000007641637 571010053 /nfs/dbraw/zinc/01/00/53/571010053.db2.gz XROBUCIMWITFBJ-UHFFFAOYSA-N 1 2 379.416 3.449 10 0 GGAELO COC(=O)c1ccc(C[N@@H+]2CCN(c3ccc4c(c3)CCC4)C(=O)[C@H]2C)cc1 ZINC000037519859 571022415 /nfs/dbraw/zinc/02/24/15/571022415.db2.gz CJPCRVUAXNISQD-MRXNPFEDSA-N 1 2 378.472 3.199 10 0 GGAELO COC(=O)c1ccc(C[N@H+]2CCN(c3ccc4c(c3)CCC4)C(=O)[C@H]2C)cc1 ZINC000037519859 571022421 /nfs/dbraw/zinc/02/24/21/571022421.db2.gz CJPCRVUAXNISQD-MRXNPFEDSA-N 1 2 378.472 3.199 10 0 GGAELO COc1cc(Cn2c3ccccc3[nH+]c2NC[C@H](C)O)c(Br)cn1 ZINC000622017866 652175660 /nfs/dbraw/zinc/17/56/60/652175660.db2.gz LIEXVDKBJYCMGY-NSHDSACASA-N 1 2 391.269 3.043 10 0 GGAELO COC(=O)c1ccc(C[NH+]2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)cc1 ZINC000053944579 1406562203 /nfs/dbraw/zinc/56/22/03/1406562203.db2.gz KWQJOKSWDVSRJI-UHFFFAOYSA-N 1 2 396.531 3.334 10 0 GGAELO CCC(=O)Nc1c2ccccc2oc1C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000009265432 1398856440 /nfs/dbraw/zinc/85/64/40/1398856440.db2.gz NGFJACUKKWZLKL-UHFFFAOYSA-N 1 2 378.432 3.139 10 0 GGAELO Cc1nn(CC(C)C)c2sc(C(=O)N3CCN(c4cccc[nH+]4)CC3)cc12 ZINC000009579032 1398861111 /nfs/dbraw/zinc/86/11/11/1398861111.db2.gz PYLKZHXXDIEPDF-UHFFFAOYSA-N 1 2 383.521 3.420 10 0 GGAELO Cc1ccc2c(c1)C[N@@H+](CC(=O)NCc1cc(-c3ccccc3)n[nH]1)C[C@H](C)O2 ZINC000011789528 1399012226 /nfs/dbraw/zinc/01/22/26/1399012226.db2.gz OSTOPLXVWPBNOR-KRWDZBQOSA-N 1 2 390.487 3.284 10 0 GGAELO Cc1ccc2c(c1)C[N@H+](CC(=O)NCc1cc(-c3ccccc3)n[nH]1)C[C@H](C)O2 ZINC000011789528 1399012233 /nfs/dbraw/zinc/01/22/33/1399012233.db2.gz OSTOPLXVWPBNOR-KRWDZBQOSA-N 1 2 390.487 3.284 10 0 GGAELO CCOC(=O)CCC(=O)N1CC[NH+]([C@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000022627708 1399484399 /nfs/dbraw/zinc/48/43/99/1399484399.db2.gz SDGHUTJKPXCHRN-HSZRJFAPSA-N 1 2 398.478 3.403 10 0 GGAELO C[C@@H](CCc1ccccc1)NC(=O)CN1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000022773735 1399500450 /nfs/dbraw/zinc/50/04/50/1399500450.db2.gz MMDMUBBJJPINDD-SYZXBLONSA-N 1 2 391.559 3.455 10 0 GGAELO O=C(CCNC(=O)Nc1ccccc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000023675345 1399579349 /nfs/dbraw/zinc/57/93/49/1399579349.db2.gz DIIUMOOOUAJCPV-JXMROGBWSA-N 1 2 392.503 3.056 10 0 GGAELO CC(C)(C)CC(=O)N1CC[NH+](C[C@H](O)COc2cccc3ccccc32)CC1 ZINC000028922008 1400211706 /nfs/dbraw/zinc/21/17/06/1400211706.db2.gz NBZPHQHRPIWYHD-IBGZPJMESA-N 1 2 384.520 3.160 10 0 GGAELO O=S(=O)(NC1CCN(c2cccc[nH+]2)CC1)c1ccccc1C(F)(F)F ZINC000056060303 1407184996 /nfs/dbraw/zinc/18/49/96/1407184996.db2.gz OSDWUIUKZWMORG-UHFFFAOYSA-N 1 2 385.411 3.048 10 0 GGAELO COc1ncccc1CNC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000043546738 1403783311 /nfs/dbraw/zinc/78/33/11/1403783311.db2.gz FSXOWAQZAUDXQQ-CYBMUJFWSA-N 1 2 375.498 3.100 10 0 GGAELO COc1ncccc1CNC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000043546738 1403783318 /nfs/dbraw/zinc/78/33/18/1403783318.db2.gz FSXOWAQZAUDXQQ-CYBMUJFWSA-N 1 2 375.498 3.100 10 0 GGAELO O=S(=O)(Cc1cccc(Cl)c1)NCC1CCN(c2cccc[nH+]2)CC1 ZINC000043955236 1403853181 /nfs/dbraw/zinc/85/31/81/1403853181.db2.gz YICUYBDMCPBGLA-UHFFFAOYSA-N 1 2 379.913 3.071 10 0 GGAELO CN(Cc1ccccc1)C(=O)C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000046228013 1404337669 /nfs/dbraw/zinc/33/76/69/1404337669.db2.gz IEJOXIHQEGGMPW-UHFFFAOYSA-N 1 2 391.437 3.486 10 0 GGAELO C[NH+](C)Cc1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1 ZINC000048798384 1405293874 /nfs/dbraw/zinc/29/38/74/1405293874.db2.gz AGMFQYQFAOVXNP-UHFFFAOYSA-N 1 2 375.313 3.373 10 0 GGAELO COc1cccc(C[NH+]2CCN(C(=O)c3ccccc3Br)CC2)c1 ZINC000049718683 1405398728 /nfs/dbraw/zinc/39/87/28/1405398728.db2.gz AEKSXIWGAZLAIC-UHFFFAOYSA-N 1 2 389.293 3.416 10 0 GGAELO NC(=[NH+]OCc1nnc(-c2ccccc2Br)o1)c1ccc(F)cc1 ZINC000050513442 1405593411 /nfs/dbraw/zinc/59/34/11/1405593411.db2.gz DQVNOXDKTSEOJJ-UHFFFAOYSA-N 1 2 391.200 3.475 10 0 GGAELO CCOC(=O)N[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N(C)Cc2c(F)cccc2Cl)C1 ZINC000052870662 1406210084 /nfs/dbraw/zinc/21/00/84/1406210084.db2.gz BMBMSQGGSRONCQ-KBPBESRZSA-N 1 2 399.894 3.037 10 0 GGAELO CCOC(=O)N[C@H]1CCC[N@H+]([C@@H](C)C(=O)N(C)Cc2c(F)cccc2Cl)C1 ZINC000052870662 1406210097 /nfs/dbraw/zinc/21/00/97/1406210097.db2.gz BMBMSQGGSRONCQ-KBPBESRZSA-N 1 2 399.894 3.037 10 0 GGAELO O=C(NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)NC[C@@H]1CCCOC1 ZINC000057161454 1407539485 /nfs/dbraw/zinc/53/94/85/1407539485.db2.gz DWBIFKNIGOAQDA-YOEHRIQHSA-N 1 2 383.895 3.342 10 0 GGAELO Fc1cccc(Cl)c1[C@H](CNC(=S)NC1CCOCC1)[NH+]1CCCC1 ZINC000057956121 1407761602 /nfs/dbraw/zinc/76/16/02/1407761602.db2.gz FHZLCRIDORIUJG-INIZCTEOSA-N 1 2 385.936 3.259 10 0 GGAELO COc1cc(C)c(S(=O)(=O)N2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1C ZINC000062690605 1408290462 /nfs/dbraw/zinc/29/04/62/1408290462.db2.gz BXHXJFYOUAHCNP-GOSISDBHSA-N 1 2 388.533 3.207 10 0 GGAELO COc1cc(C)c(S(=O)(=O)N2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1C ZINC000062690605 1408290467 /nfs/dbraw/zinc/29/04/67/1408290467.db2.gz BXHXJFYOUAHCNP-GOSISDBHSA-N 1 2 388.533 3.207 10 0 GGAELO Cc1cc(NCc2ccc(-n3cc[nH+]c3)c(F)c2)n2nc(C(F)(F)F)nc2n1 ZINC000063254672 1408324460 /nfs/dbraw/zinc/32/44/60/1408324460.db2.gz DJWZTKHBYVVXOP-UHFFFAOYSA-N 1 2 391.332 3.388 10 0 GGAELO CC(C)c1nc(C[NH2+]Cc2cccc(OCCN3CCOCC3)c2)cs1 ZINC000065013995 1408636244 /nfs/dbraw/zinc/63/62/44/1408636244.db2.gz DONVDTDCZVGYRD-UHFFFAOYSA-N 1 2 375.538 3.267 10 0 GGAELO C[C@@H]1C[N@@H+](Cc2ccc(CNCc3nc4ccccc4n3C)cc2)C[C@H](C)O1 ZINC000066971273 1408968725 /nfs/dbraw/zinc/96/87/25/1408968725.db2.gz DJKOJCIRMVGOJE-HDICACEKSA-N 1 2 378.520 3.472 10 0 GGAELO C[C@@H]1C[N@H+](Cc2ccc(CNCc3nc4ccccc4n3C)cc2)C[C@H](C)O1 ZINC000066971273 1408968728 /nfs/dbraw/zinc/96/87/28/1408968728.db2.gz DJKOJCIRMVGOJE-HDICACEKSA-N 1 2 378.520 3.472 10 0 GGAELO C[C@H]1C[NH+](Cc2ccc(CNCc3nc4ccccc4n3C)cc2)C[C@H](C)O1 ZINC000066971274 1408968807 /nfs/dbraw/zinc/96/88/07/1408968807.db2.gz DJKOJCIRMVGOJE-ROUUACIJSA-N 1 2 378.520 3.472 10 0 GGAELO O=C(CCn1cc[nH+]c1)Nc1cccc(C(=O)N[C@H]2C[C@H]2c2cccc(F)c2)c1 ZINC000067106115 1409010591 /nfs/dbraw/zinc/01/05/91/1409010591.db2.gz CASJUJUDZUKQIK-PMACEKPBSA-N 1 2 392.434 3.337 10 0 GGAELO CC(C)CCC(=O)NCC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000067152102 1409023247 /nfs/dbraw/zinc/02/32/47/1409023247.db2.gz IETHODMNEIKQJE-QGZVFWFLSA-N 1 2 397.922 3.285 10 0 GGAELO CC(C)(CNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)c1cccc(Cl)c1 ZINC000073912956 1409867333 /nfs/dbraw/zinc/86/73/33/1409867333.db2.gz FQSWKSSHBABUMT-GOSISDBHSA-N 1 2 379.932 3.124 10 0 GGAELO CN(CC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)C(=O)OC(C)(C)C ZINC000078975762 1409946723 /nfs/dbraw/zinc/94/67/23/1409946723.db2.gz XDYTTWFEMNGTIJ-MJGOQNOKSA-N 1 2 384.480 3.095 10 0 GGAELO CN(CC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)C(=O)OC(C)(C)C ZINC000078975744 1409946772 /nfs/dbraw/zinc/94/67/72/1409946772.db2.gz XDYTTWFEMNGTIJ-PKOBYXMFSA-N 1 2 384.480 3.095 10 0 GGAELO CC(C)(C)OC(=O)N1CCc2cccc(C[NH+]3CCN(CC(F)F)CC3)c21 ZINC000092586616 1410175887 /nfs/dbraw/zinc/17/58/87/1410175887.db2.gz 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BNSAFQKGRNCMMN-BEFAXECRSA-N 1 2 381.480 3.199 10 0 GGAELO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N(C)C[C@@H]2CCCCO2)C[C@H](C)O1 ZINC000128431353 1415985882 /nfs/dbraw/zinc/98/58/82/1415985882.db2.gz BKMNPSQERLZUHB-SCTDSRPQSA-N 1 2 375.513 3.329 10 0 GGAELO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N(C)C[C@@H]2CCCCO2)C[C@H](C)O1 ZINC000128431353 1415985884 /nfs/dbraw/zinc/98/58/84/1415985884.db2.gz BKMNPSQERLZUHB-SCTDSRPQSA-N 1 2 375.513 3.329 10 0 GGAELO C[C@H]1CCN(C(=O)[C@@H]2CCCN2C(=O)OCc2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000128482158 1415997528 /nfs/dbraw/zinc/99/75/28/1415997528.db2.gz GHHKACCVYHOIMF-IHPCNDPISA-N 1 2 396.491 3.094 10 0 GGAELO C[C@H]1CCN(C(=O)Nc2ccc(CN3CCCC3=O)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000128597404 1416021156 /nfs/dbraw/zinc/02/11/56/1416021156.db2.gz CZWYUQHISJYSKJ-LPHOPBHVSA-N 1 2 381.480 3.121 10 0 GGAELO CC(=O)N1CCCc2cc(NC(=O)N3CC[C@H](C)[C@@H](n4cc[nH+]c4)C3)ccc21 ZINC000129476667 1416216067 /nfs/dbraw/zinc/21/60/67/1416216067.db2.gz CQDPPGAYYHGKQP-YWZLYKJASA-N 1 2 381.480 3.297 10 0 GGAELO COCCN1[C@H](C)C[N@H+]([C@@H](C)C(=O)N[C@@H](C)c2cccc3ccccc32)C[C@@H]1C ZINC000130123143 1416322682 /nfs/dbraw/zinc/32/26/82/1416322682.db2.gz DLFKPBPTHCWINS-YRPNKDGESA-N 1 2 397.563 3.447 10 0 GGAELO COCCN1[C@H](C)C[N@@H+]([C@@H](C)C(=O)N[C@@H](C)c2cccc3ccccc32)C[C@@H]1C ZINC000130123143 1416322686 /nfs/dbraw/zinc/32/26/86/1416322686.db2.gz DLFKPBPTHCWINS-YRPNKDGESA-N 1 2 397.563 3.447 10 0 GGAELO CC(=O)N(Cc1ccc(NC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1)C1CC1 ZINC000130620912 1416412064 /nfs/dbraw/zinc/41/20/64/1416412064.db2.gz DPWLETHHAHOISQ-OAQYLSRUSA-N 1 2 394.475 3.278 10 0 GGAELO C[C@@H]1CN(c2ccc(NC(=O)N3CC[C@H](C)[C@@H](n4cc[nH+]c4)C3)cc2)CCO1 ZINC000130659889 1416419509 /nfs/dbraw/zinc/41/95/09/1416419509.db2.gz HPEAIKYHZYKOMK-QKLQHJQFSA-N 1 2 383.496 3.223 10 0 GGAELO COC(=O)C(C)(C)c1ccc(NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000130915759 1416480306 /nfs/dbraw/zinc/48/03/06/1416480306.db2.gz BJTWLKDHEXDTIU-YJBOKZPZSA-N 1 2 384.480 3.449 10 0 GGAELO Cc1c(NC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cccc1N1CCOC1=O ZINC000131184857 1416520895 /nfs/dbraw/zinc/52/08/95/1416520895.db2.gz DDEZHOPOTSTQOE-RDTXWAMCSA-N 1 2 383.452 3.263 10 0 GGAELO CCOc1ccc(C(=O)N(C)C)cc1NC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000131411624 1416553494 /nfs/dbraw/zinc/55/34/94/1416553494.db2.gz FJVKOFLRGZDNTH-YJBOKZPZSA-N 1 2 399.495 3.099 10 0 GGAELO O=C(Nc1ccc(F)cc1OC1CCCC1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000132205625 1416716824 /nfs/dbraw/zinc/71/68/24/1416716824.db2.gz DPZUSUQWEFITJL-QGZVFWFLSA-N 1 2 391.487 3.476 10 0 GGAELO CC[NH+](CC)Cc1nc(C2(NCc3ccc(N4CCCC4)nc3)CCCC2)no1 ZINC000132712787 1416806988 /nfs/dbraw/zinc/80/69/88/1416806988.db2.gz GHXMUHPTQQLWEV-UHFFFAOYSA-N 1 2 398.555 3.466 10 0 GGAELO CN1CCN(c2ncc(C[NH2+][C@@H](c3ccc(F)cc3F)C(C)(C)C)cn2)CC1 ZINC000134410925 1417066770 /nfs/dbraw/zinc/06/67/70/1417066770.db2.gz FBCVABATMAOLEQ-IBGZPJMESA-N 1 2 389.494 3.384 10 0 GGAELO C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)[N@@H+]1CCOC2(CCOCC2)C1 ZINC000135649109 1417252964 /nfs/dbraw/zinc/25/29/64/1417252964.db2.gz GGSBHJZDBFJLNQ-ZWKOTPCHSA-N 1 2 382.504 3.287 10 0 GGAELO C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)[N@H+]1CCOC2(CCOCC2)C1 ZINC000135649109 1417252976 /nfs/dbraw/zinc/25/29/76/1417252976.db2.gz GGSBHJZDBFJLNQ-ZWKOTPCHSA-N 1 2 382.504 3.287 10 0 GGAELO CN(CCCn1cc[nH+]c1)C(=O)NCc1ccc(OCc2ccccn2)cc1 ZINC000137162527 1417371898 /nfs/dbraw/zinc/37/18/98/1417371898.db2.gz CSAWDHQYRRBCLM-UHFFFAOYSA-N 1 2 379.464 3.089 10 0 GGAELO CCc1nc(NC(=O)C[N@@H+]2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)sc1C ZINC000140814888 1417518341 /nfs/dbraw/zinc/51/83/41/1417518341.db2.gz ATTOGJLDMABYDS-AWEZNQCLSA-N 1 2 396.557 3.189 10 0 GGAELO CCc1nc(NC(=O)C[N@H+]2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)sc1C ZINC000140814888 1417518353 /nfs/dbraw/zinc/51/83/53/1417518353.db2.gz ATTOGJLDMABYDS-AWEZNQCLSA-N 1 2 396.557 3.189 10 0 GGAELO O=S(=O)(c1ccc(F)cc1C(F)(F)F)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000151140537 1417880489 /nfs/dbraw/zinc/88/04/89/1417880489.db2.gz BTLFSVRBTQYPEV-CYBMUJFWSA-N 1 2 390.358 3.082 10 0 GGAELO Cc1nc(-c2ccc(S(=O)(=O)N3CC[C@@H](C)[C@H](n4cc[nH+]c4)C3)cc2)co1 ZINC000151246272 1417902460 /nfs/dbraw/zinc/90/24/60/1417902460.db2.gz ASYWJDTYBDOEKZ-AUUYWEPGSA-N 1 2 386.477 3.118 10 0 GGAELO C[C@H]1CCN(C(=O)C(=O)Nc2cccc(SC(F)F)c2)C[C@@H]1n1cc[nH+]c1 ZINC000151402421 1417950575 /nfs/dbraw/zinc/95/05/75/1417950575.db2.gz FSNFVZGTPJHHFQ-WFASDCNBSA-N 1 2 394.447 3.246 10 0 GGAELO Cc1ccc(NC(=O)C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1C(F)(F)F ZINC000151409528 1417954198 /nfs/dbraw/zinc/95/41/98/1417954198.db2.gz CXJQBYVBTPMTLG-CZUORRHYSA-N 1 2 394.397 3.259 10 0 GGAELO CCSCc1cccc(NC(=O)C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000151438100 1417968351 /nfs/dbraw/zinc/96/83/51/1417968351.db2.gz COSSHQXLMADEAR-YJBOKZPZSA-N 1 2 386.521 3.184 10 0 GGAELO C[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2OC(C)(C)C)C[C@H]1n1cc[nH+]c1 ZINC000151486584 1417997846 /nfs/dbraw/zinc/99/78/46/1417997846.db2.gz CIHPRFMGTLVXBO-NVXWUHKLSA-N 1 2 384.480 3.109 10 0 GGAELO Cc1ccc(NCc2ccc(-n3cc[nH+]c3)cc2)cc1N1CCCS1(=O)=O ZINC000151601707 1418037034 /nfs/dbraw/zinc/03/70/34/1418037034.db2.gz HWJKKCORECBWSQ-UHFFFAOYSA-N 1 2 382.489 3.333 10 0 GGAELO Cc1nn(-c2ccccc2)c(C)c1CNC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000151781586 1418085353 /nfs/dbraw/zinc/08/53/53/1418085353.db2.gz FHWQQRNNUMVGFK-KKSFZXQISA-N 1 2 392.507 3.478 10 0 GGAELO CN1CC[NH+](Cc2cccc(NC(=O)[C@@H]3C[C@@H]3c3cccc(F)c3F)c2)CC1 ZINC000152277281 1418191914 /nfs/dbraw/zinc/19/19/14/1418191914.db2.gz GZBZHRJDLKEGHR-RTBURBONSA-N 1 2 385.458 3.454 10 0 GGAELO COc1ccc(C[NH+]2CCN(c3ccc(C(F)(F)F)cn3)CC2)c(OC)c1 ZINC000179655104 1429492550 /nfs/dbraw/zinc/49/25/50/1429492550.db2.gz MDUNFEKJNLVMCR-UHFFFAOYSA-N 1 2 381.398 3.440 10 0 GGAELO C[C@H]1CCN(C(=O)NCCNc2ncc(Cl)cc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000152311910 1422069751 /nfs/dbraw/zinc/06/97/51/1422069751.db2.gz FXXLFGVOVGMEPG-WFASDCNBSA-N 1 2 397.310 3.290 10 0 GGAELO Cc1oc2nc(CN3CC[NH+](Cc4ccc(Cl)cc4)CC3)nc(N)c2c1C ZINC000152761233 1422239735 /nfs/dbraw/zinc/23/97/35/1422239735.db2.gz TUOZDUVGRLOZLD-UHFFFAOYSA-N 1 2 385.899 3.393 10 0 GGAELO C[C@H](NC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1cccc(N2CCOC2=O)c1 ZINC000152822779 1422261629 /nfs/dbraw/zinc/26/16/29/1422261629.db2.gz CIVJMJMWJUDLFN-TXPKVOOTSA-N 1 2 397.479 3.193 10 0 GGAELO COc1cc(F)c([C@H](C)NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1OC ZINC000153582084 1422632771 /nfs/dbraw/zinc/63/27/71/1422632771.db2.gz BQFNFFULSXYILT-ZQIUZPCESA-N 1 2 390.459 3.393 10 0 GGAELO CC(C)[C@H](CNC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)NC(=O)OC(C)(C)C ZINC000153648234 1422674852 /nfs/dbraw/zinc/67/48/52/1422674852.db2.gz CQHOXAVCFDCTRM-IXDOHACOSA-N 1 2 393.532 3.025 10 0 GGAELO COC(=O)c1sccc1S(=O)(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000153842592 1422793905 /nfs/dbraw/zinc/79/39/05/1422793905.db2.gz CBYKSAAFJUVSKE-UHFFFAOYSA-N 1 2 394.518 3.321 10 0 GGAELO Cc1cccc(S(=O)(=O)CCC[N@@H+]2CCC[C@@H]2CNC(=O)OC(C)(C)C)c1 ZINC000155286077 1423300446 /nfs/dbraw/zinc/30/04/46/1423300446.db2.gz HLZVGUFPPASDBQ-QGZVFWFLSA-N 1 2 396.553 3.148 10 0 GGAELO Cc1cccc(S(=O)(=O)CCC[N@H+]2CCC[C@@H]2CNC(=O)OC(C)(C)C)c1 ZINC000155286077 1423300455 /nfs/dbraw/zinc/30/04/55/1423300455.db2.gz HLZVGUFPPASDBQ-QGZVFWFLSA-N 1 2 396.553 3.148 10 0 GGAELO COc1cccc(-c2nc(C)c(C(=O)N3CC[C@@H](C)[C@@H](n4cc[nH+]c4)C3)[nH]2)c1 ZINC000156619972 1423836850 /nfs/dbraw/zinc/83/68/50/1423836850.db2.gz IDRZRNCVEOSWGC-KDOFPFPSSA-N 1 2 379.464 3.314 10 0 GGAELO C[C@H](NC(=O)[C@H](C)[N@H+](CCO)Cc1cccnc1)c1cccc2ccccc21 ZINC000157033495 1423907994 /nfs/dbraw/zinc/90/79/94/1423907994.db2.gz ALNLGDNAYQPAIJ-ROUUACIJSA-N 1 2 377.488 3.295 10 0 GGAELO C[C@H](NC(=O)[C@H](C)[N@@H+](CCO)Cc1cccnc1)c1cccc2ccccc21 ZINC000157033495 1423907997 /nfs/dbraw/zinc/90/79/97/1423907997.db2.gz ALNLGDNAYQPAIJ-ROUUACIJSA-N 1 2 377.488 3.295 10 0 GGAELO Cn1ccnc1CC1CC[NH+]([C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)CC1 ZINC000157150093 1423938048 /nfs/dbraw/zinc/93/80/48/1423938048.db2.gz UHKKLNRKHAVPIC-GOSISDBHSA-N 1 2 390.890 3.273 10 0 GGAELO O=C(Nc1ccccc1OCCn1cc[nH+]c1)N1CCO[C@H](c2nccs2)C1 ZINC000159246280 1424457472 /nfs/dbraw/zinc/45/74/72/1424457472.db2.gz YVGGNYCTCIOGGT-KRWDZBQOSA-N 1 2 399.476 3.024 10 0 GGAELO C[C@H](c1ccccn1)[NH+]1CCN(C(=O)c2cn(C)nc2-c2ccccc2)CC1 ZINC000162527044 1424862341 /nfs/dbraw/zinc/86/23/41/1424862341.db2.gz WCIACPAPHQVLRA-QGZVFWFLSA-N 1 2 375.476 3.001 10 0 GGAELO C[C@@H](c1ccccn1)[NH+]1CCN(C(=O)c2cn(C)nc2-c2ccccc2)CC1 ZINC000162526903 1424862522 /nfs/dbraw/zinc/86/25/22/1424862522.db2.gz WCIACPAPHQVLRA-KRWDZBQOSA-N 1 2 375.476 3.001 10 0 GGAELO CCNC(=O)N1CCC2(CC1)c1nccn1-c1ccccc1C[N@H+]2CC(C)C ZINC000169763842 1425250040 /nfs/dbraw/zinc/25/00/40/1425250040.db2.gz QRJQLUHKGUFNKQ-UHFFFAOYSA-N 1 2 381.524 3.365 10 0 GGAELO CCNC(=O)N1CCC2(CC1)c1nccn1-c1ccccc1C[N@@H+]2CC(C)C ZINC000169763842 1425250042 /nfs/dbraw/zinc/25/00/42/1425250042.db2.gz QRJQLUHKGUFNKQ-UHFFFAOYSA-N 1 2 381.524 3.365 10 0 GGAELO COc1cc(C)c(S(=O)(=O)N2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1C ZINC000169869155 1425260258 /nfs/dbraw/zinc/26/02/58/1425260258.db2.gz BXHXJFYOUAHCNP-SFHVURJKSA-N 1 2 388.533 3.207 10 0 GGAELO COc1cc(C)c(S(=O)(=O)N2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1C ZINC000169869155 1425260268 /nfs/dbraw/zinc/26/02/68/1425260268.db2.gz BXHXJFYOUAHCNP-SFHVURJKSA-N 1 2 388.533 3.207 10 0 GGAELO Cc1nc(C[C@@H]2CCCN(C(=O)/C=C/c3ccc(-n4cc[nH+]c4)cc3)C2)no1 ZINC000171489545 1425702836 /nfs/dbraw/zinc/70/28/36/1425702836.db2.gz APFWIXUUALOZRB-YOCVDRLZSA-N 1 2 377.448 3.058 10 0 GGAELO C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172757060 1426174452 /nfs/dbraw/zinc/17/44/52/1426174452.db2.gz GCUYGEUPKSHUSI-WIYYLYMNSA-N 1 2 380.488 3.054 10 0 GGAELO Cc1nnc(SCCC(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)[nH]1 ZINC000173192390 1426385219 /nfs/dbraw/zinc/38/52/19/1426385219.db2.gz CUSMHRDTBSSVQF-UHFFFAOYSA-N 1 2 399.520 3.137 10 0 GGAELO Cc1nnc(SCCC(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)[nH]1 ZINC000173192390 1426385222 /nfs/dbraw/zinc/38/52/22/1426385222.db2.gz CUSMHRDTBSSVQF-UHFFFAOYSA-N 1 2 399.520 3.137 10 0 GGAELO O=C([C@@H]1C[C@H]1c1ccccc1C(F)(F)F)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000174489513 1427178497 /nfs/dbraw/zinc/17/84/97/1427178497.db2.gz BJUARBNSNOYYMB-HYVNUMGLSA-N 1 2 382.426 3.132 10 0 GGAELO O=C(CCCOc1cccc2ccccc21)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000174497832 1427183487 /nfs/dbraw/zinc/18/34/87/1427183487.db2.gz BIKHFJVGVYYPKS-HXUWFJFHSA-N 1 2 382.504 3.322 10 0 GGAELO C[C@H](Cc1ccccc1C(F)(F)F)NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000181884847 1430377417 /nfs/dbraw/zinc/37/74/17/1430377417.db2.gz GWVYXMUYECQPSX-NVXWUHKLSA-N 1 2 399.457 3.143 10 0 GGAELO C[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000181884827 1430377557 /nfs/dbraw/zinc/37/75/57/1430377557.db2.gz GWVYXMUYECQPSX-DOTOQJQBSA-N 1 2 399.457 3.143 10 0 GGAELO C[C@@H]1CCN(Cc2nnc(C(=O)Nc3ccccc3)s2)C[C@@H]1n1cc[nH+]c1 ZINC000182649269 1430510035 /nfs/dbraw/zinc/51/00/35/1430510035.db2.gz CPFPRQUNGNVSCH-ZBFHGGJFSA-N 1 2 382.493 3.070 10 0 GGAELO COC(=O)c1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2CCc3c(cccc3OC)C2)c1 ZINC000182726166 1430528095 /nfs/dbraw/zinc/52/80/95/1430528095.db2.gz FDTYDTRLFCAEIM-HNNXBMFYSA-N 1 2 382.460 3.176 10 0 GGAELO COC(=O)c1ccc(C)c(NC(=O)[C@H](C)[N@H+]2CCc3c(cccc3OC)C2)c1 ZINC000182726166 1430528096 /nfs/dbraw/zinc/52/80/96/1430528096.db2.gz FDTYDTRLFCAEIM-HNNXBMFYSA-N 1 2 382.460 3.176 10 0 GGAELO Clc1cc(CCN2CC[NH+](Cc3cccnc3)CC2)cc2c1OCCCO2 ZINC000183097364 1430611704 /nfs/dbraw/zinc/61/17/04/1430611704.db2.gz JWAALKZNZVRMOH-UHFFFAOYSA-N 1 2 387.911 3.257 10 0 GGAELO CNC(=O)c1cccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2nc(C(C)(C)C)cs2)c1 ZINC000184495016 1430894689 /nfs/dbraw/zinc/89/46/89/1430894689.db2.gz HTWCWDGRLWSXRB-CHWSQXEVSA-N 1 2 388.537 3.478 10 0 GGAELO CNC(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2nc(C(C)(C)C)cs2)c1 ZINC000184494986 1430894702 /nfs/dbraw/zinc/89/47/02/1430894702.db2.gz HTWCWDGRLWSXRB-QWHCGFSZSA-N 1 2 388.537 3.478 10 0 GGAELO CCc1ccc([C@@H](COC)[NH2+][C@H](C)C(=O)Nc2cc(C(=O)OC)ccc2C)o1 ZINC000184776922 1430974156 /nfs/dbraw/zinc/97/41/56/1430974156.db2.gz BSNOTAOJKZNZLF-RDTXWAMCSA-N 1 2 388.464 3.241 10 0 GGAELO CCOc1ccc2c(c1)[C@H](NC(=O)N1CC[C@@H](C)[C@H](n3cc[nH+]c3)C1)CCO2 ZINC000186063264 1431322428 /nfs/dbraw/zinc/32/24/28/1431322428.db2.gz CCWJYZSPJDHKIP-ATZDWAIDSA-N 1 2 384.480 3.398 10 0 GGAELO O=S(=O)(c1c(Cl)cccc1Cl)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186110225 1431332351 /nfs/dbraw/zinc/33/23/51/1431332351.db2.gz RYEPTBBYPKLTLJ-UHFFFAOYSA-N 1 2 386.304 3.289 10 0 GGAELO Cc1cn(-c2c(F)cccc2F)nc1C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000188346987 1431875657 /nfs/dbraw/zinc/87/56/57/1431875657.db2.gz AXIUMRYEMMDYRE-CXAGYDPISA-N 1 2 385.418 3.379 10 0 GGAELO CCc1nnc(C2CC[NH+](CC(=O)N(C)[C@H](C)c3ccc(F)c(F)c3)CC2)[nH]1 ZINC000190665667 1432436933 /nfs/dbraw/zinc/43/69/33/1432436933.db2.gz IOQUXOHHJOPBBT-CYBMUJFWSA-N 1 2 391.466 3.044 10 0 GGAELO CCc1n[nH]c(C2CC[NH+](CC(=O)N(C)[C@H](C)c3ccc(F)c(F)c3)CC2)n1 ZINC000190665667 1432436944 /nfs/dbraw/zinc/43/69/44/1432436944.db2.gz IOQUXOHHJOPBBT-CYBMUJFWSA-N 1 2 391.466 3.044 10 0 GGAELO CCc1nc(C2CC[NH+](CC(=O)N(C)[C@H](C)c3ccc(F)c(F)c3)CC2)n[nH]1 ZINC000190665667 1432436958 /nfs/dbraw/zinc/43/69/58/1432436958.db2.gz IOQUXOHHJOPBBT-CYBMUJFWSA-N 1 2 391.466 3.044 10 0 GGAELO C[C@H](CNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC000191094202 1432566592 /nfs/dbraw/zinc/56/65/92/1432566592.db2.gz FNLHLGZNLFEXAS-CRAIPNDOSA-N 1 2 399.457 3.315 10 0 GGAELO CC1CCN(c2nn(C[NH+]3CCCCC3)c(=S)n2C[C@@H]2CCCO2)CC1 ZINC000192762910 1432886426 /nfs/dbraw/zinc/88/64/26/1432886426.db2.gz HMRLHILAWUTKJQ-KRWDZBQOSA-N 1 2 379.574 3.273 10 0 GGAELO CC1CCN(c2nn(C[NH+]3CCCCC3)c(=S)n2C[C@H]2CCCO2)CC1 ZINC000192762924 1432886487 /nfs/dbraw/zinc/88/64/87/1432886487.db2.gz HMRLHILAWUTKJQ-QGZVFWFLSA-N 1 2 379.574 3.273 10 0 GGAELO CN1CC[C@@H](CNC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)c2ccccc21 ZINC000194034066 1433104895 /nfs/dbraw/zinc/10/48/95/1433104895.db2.gz YQORSUIWZFRGTE-KRWDZBQOSA-N 1 2 393.466 3.434 10 0 GGAELO COc1c(C)c[nH+]c(CN(C)C(=O)NCc2cnn(Cc3ccccc3)c2)c1C ZINC000195143189 1433298989 /nfs/dbraw/zinc/29/89/89/1433298989.db2.gz HCADPEKQOFYGEJ-UHFFFAOYSA-N 1 2 393.491 3.293 10 0 GGAELO O=C(C[NH+]1CCC(c2cc[nH]n2)CC1)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC000195507205 1433337703 /nfs/dbraw/zinc/33/77/03/1433337703.db2.gz NAGSEUWUEGQCDP-UHFFFAOYSA-N 1 2 399.495 3.414 10 0 GGAELO CN(CCc1ccncc1)c1cc(N2CCN(c3ccccc3F)CC2)nc[nH+]1 ZINC000242553390 1433446817 /nfs/dbraw/zinc/44/68/17/1433446817.db2.gz CCHHBAYAWZKVJL-UHFFFAOYSA-N 1 2 392.482 3.016 10 0 GGAELO CN(CCc1ccncc1)c1cc(N2CCN(c3ccccc3F)CC2)[nH+]cn1 ZINC000242553390 1433446819 /nfs/dbraw/zinc/44/68/19/1433446819.db2.gz CCHHBAYAWZKVJL-UHFFFAOYSA-N 1 2 392.482 3.016 10 0 GGAELO O=C(c1cccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c1)N1CCCCC1 ZINC000242973149 1433448093 /nfs/dbraw/zinc/44/80/93/1433448093.db2.gz HOEVSBWDUVOFHK-UHFFFAOYSA-N 1 2 391.515 3.271 10 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O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)[C@H]1C[C@@H]1c1ccccc1Cl ZINC000247459699 1433725392 /nfs/dbraw/zinc/72/53/92/1433725392.db2.gz AKUAQOKVUODYMV-RLLQIKCJSA-N 1 2 384.907 3.461 10 0 GGAELO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@H]1C[C@@H]1c1ccccc1Cl ZINC000247459699 1433725399 /nfs/dbraw/zinc/72/53/99/1433725399.db2.gz AKUAQOKVUODYMV-RLLQIKCJSA-N 1 2 384.907 3.461 10 0 GGAELO CCOC(=O)N[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N(C)Cc2c(F)cccc2Cl)C1 ZINC000249707390 1433849325 /nfs/dbraw/zinc/84/93/25/1433849325.db2.gz BMBMSQGGSRONCQ-ZIAGYGMSSA-N 1 2 399.894 3.037 10 0 GGAELO CCOC(=O)N[C@@H]1CCC[N@H+]([C@H](C)C(=O)N(C)Cc2c(F)cccc2Cl)C1 ZINC000249707390 1433849326 /nfs/dbraw/zinc/84/93/26/1433849326.db2.gz BMBMSQGGSRONCQ-ZIAGYGMSSA-N 1 2 399.894 3.037 10 0 GGAELO C[C@@H]1CCN(C(=O)N[C@@H](c2cnn(C)c2)c2ccc(F)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000251432773 1433858185 /nfs/dbraw/zinc/85/81/85/1433858185.db2.gz BKWYYLAATKWRNS-UIAACRFSSA-N 1 2 396.470 3.138 10 0 GGAELO CCOc1ccc2c(c1)[C@H](NC(=O)N1CC[C@H](C)[C@@H](n3cc[nH+]c3)C1)CCO2 ZINC000251435609 1433858200 /nfs/dbraw/zinc/85/82/00/1433858200.db2.gz CCWJYZSPJDHKIP-IPELMVKDSA-N 1 2 384.480 3.398 10 0 GGAELO Oc1c(Br)cc(Br)cc1CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000252734001 1433864449 /nfs/dbraw/zinc/86/44/49/1433864449.db2.gz XTIGLBHRTOCRQK-LBPRGKRZSA-N 1 2 390.119 3.197 10 0 GGAELO Oc1c(Br)cc(Br)cc1CN1CC[N@H+]2CCC[C@H]2C1 ZINC000252734001 1433864451 /nfs/dbraw/zinc/86/44/51/1433864451.db2.gz XTIGLBHRTOCRQK-LBPRGKRZSA-N 1 2 390.119 3.197 10 0 GGAELO C[N@@H+]1CCc2nc[nH]c2[C@]12CCN(C(=O)Nc1ccccc1C(F)(F)F)C2 ZINC000257174609 1433893123 /nfs/dbraw/zinc/89/31/23/1433893123.db2.gz ISCZWGJISPVMKK-QGZVFWFLSA-N 1 2 379.386 3.050 10 0 GGAELO C[N@H+]1CCc2nc[nH]c2[C@]12CCN(C(=O)Nc1ccccc1C(F)(F)F)C2 ZINC000257174609 1433893124 /nfs/dbraw/zinc/89/31/24/1433893124.db2.gz ISCZWGJISPVMKK-QGZVFWFLSA-N 1 2 379.386 3.050 10 0 GGAELO COc1cccc(C(=O)N2C[C@H](COc3cc[nH+]cc3)C3(C2)CCOCC3)c1C ZINC000257174146 1433893215 /nfs/dbraw/zinc/89/32/15/1433893215.db2.gz CQQKWPKVHLVLLP-GOSISDBHSA-N 1 2 396.487 3.346 10 0 GGAELO Cc1c[nH+]c(CO[C@H]2CCCN(C(=O)c3cc(-c4ccc(F)cc4)n[nH]3)C2)n1C ZINC000257176052 1433893422 /nfs/dbraw/zinc/89/34/22/1433893422.db2.gz RPMNUVLNSHRVSX-KRWDZBQOSA-N 1 2 397.454 3.079 10 0 GGAELO Cc1ccc(C[NH+]2CC(Oc3ccccc3C(=O)N3CCOCC3)C2)cc1C ZINC000257195584 1433894889 /nfs/dbraw/zinc/89/48/89/1433894889.db2.gz WKLQCLKGBFCBCB-UHFFFAOYSA-N 1 2 380.488 3.039 10 0 GGAELO O=C(NCc1cc(-c2ccccc2)no1)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000263905479 1434047737 /nfs/dbraw/zinc/04/77/37/1434047737.db2.gz GKOXPHFLJSWYJI-JOCHJYFZSA-N 1 2 391.471 3.156 10 0 GGAELO C[C@H](c1cccc(NC(=O)N[C@H](CCO)c2ccccc2)c1)[NH+]1CCOCC1 ZINC000265858497 1434273722 /nfs/dbraw/zinc/27/37/22/1434273722.db2.gz BXOSPLRRFMEYPP-DYESRHJHSA-N 1 2 383.492 3.325 10 0 GGAELO O=C(CCOC1CCOCC1)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000267747401 1434460785 /nfs/dbraw/zinc/46/07/85/1434460785.db2.gz BANTXVAQJZCVTL-SFHVURJKSA-N 1 2 398.906 3.318 10 0 GGAELO C[C@H]1CCN(C(=O)Nc2ccc(N3CCCC3=O)c(F)c2)C[C@@H]1n1cc[nH+]c1 ZINC000268317755 1434511585 /nfs/dbraw/zinc/51/15/85/1434511585.db2.gz FBXYVPYNFBAPMP-KSSFIOAISA-N 1 2 385.443 3.264 10 0 GGAELO C[C@@H]1CCN(C(=O)Nc2ccc(N3CCCC3=O)c(F)c2)C[C@H]1n1cc[nH+]c1 ZINC000268317757 1434511650 /nfs/dbraw/zinc/51/16/50/1434511650.db2.gz FBXYVPYNFBAPMP-RDTXWAMCSA-N 1 2 385.443 3.264 10 0 GGAELO CCOC(=O)c1c[nH+]c2c(C)c(C)ccc2c1N1CCc2nc[nH]c(=O)c2C1 ZINC000269693408 1434669868 /nfs/dbraw/zinc/66/98/68/1434669868.db2.gz HMPDAWZURPTFNK-UHFFFAOYSA-N 1 2 378.432 3.087 10 0 GGAELO COc1ccc([C@H](OC)[C@H](C)NC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000271329602 1434816468 /nfs/dbraw/zinc/81/64/68/1434816468.db2.gz AEECYWNBABIOAB-WOUAJJJCSA-N 1 2 386.496 3.260 10 0 GGAELO CN(C)C(=O)CC1CC[NH+](Cc2cn(-c3ccc(Cl)cc3Cl)nn2)CC1 ZINC000272806493 1434932407 /nfs/dbraw/zinc/93/24/07/1434932407.db2.gz DULLPIMWGHJMRN-UHFFFAOYSA-N 1 2 396.322 3.264 10 0 GGAELO Cc1n[nH]c(C)c1CC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000274946217 1435105099 /nfs/dbraw/zinc/10/50/99/1435105099.db2.gz HHIXOONQPSCPDN-KRWDZBQOSA-N 1 2 378.879 3.315 10 0 GGAELO Cc1n[nH]c(C)c1CC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000274946223 1435105168 /nfs/dbraw/zinc/10/51/68/1435105168.db2.gz HHIXOONQPSCPDN-QGZVFWFLSA-N 1 2 378.879 3.315 10 0 GGAELO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)[C@H]3C[C@H]3c3ccc(F)cc3)c2)CC1 ZINC000275441506 1435139530 /nfs/dbraw/zinc/13/95/30/1435139530.db2.gz BPXSQJGEQBEGFO-VXKWHMMOSA-N 1 2 395.478 3.232 10 0 GGAELO COC(=O)[C@@H]1CC[C@@H](c2ccccc2)N1C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000279046725 1435455320 /nfs/dbraw/zinc/45/53/20/1435455320.db2.gz GSDBHIRSWSUPJW-SFTDATJTSA-N 1 2 389.455 3.450 10 0 GGAELO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21 ZINC000279924746 1435563846 /nfs/dbraw/zinc/56/38/46/1435563846.db2.gz GTZFBSVQGBSETN-RYRKJORJSA-N 1 2 399.520 3.049 10 0 GGAELO C[C@@H]1CCN(C(=O)NCc2ccncc2OCC(F)(F)F)C[C@@H]1n1cc[nH+]c1 ZINC000282134374 1435835953 /nfs/dbraw/zinc/83/59/53/1435835953.db2.gz GMQVUSNBGHKWSP-HIFRSBDPSA-N 1 2 397.401 3.012 10 0 GGAELO C[C@H]1CCN(C(=O)NCc2ccncc2OCC(F)(F)F)C[C@H]1n1cc[nH+]c1 ZINC000282134370 1435835989 /nfs/dbraw/zinc/83/59/89/1435835989.db2.gz GMQVUSNBGHKWSP-DZGCQCFKSA-N 1 2 397.401 3.012 10 0 GGAELO CC(C)c1ccc([C@H](NC(=O)C(=O)NCCn2cc[nH+]c2)c2cccs2)cc1 ZINC000283212170 1435879530 /nfs/dbraw/zinc/87/95/30/1435879530.db2.gz ALCNRUSSVZNTAH-IBGZPJMESA-N 1 2 396.516 3.090 10 0 GGAELO C[C@]12CCC(=O)N1[C@H](C(=O)Oc1ccc(-c3[nH+]cc4n3CCCC4)cc1)CS2 ZINC000284162712 1436000795 /nfs/dbraw/zinc/00/07/95/1436000795.db2.gz FQAZHWJTOVLFJK-UWJYYQICSA-N 1 2 397.500 3.246 10 0 GGAELO O=C([O-])[C@@H](Cc1c[nH]c2cc(F)ccc12)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000426766750 1126089243 /nfs/dbraw/zinc/08/92/43/1126089243.db2.gz GVWUQGFPVPOAIH-HXUWFJFHSA-N 1 2 378.407 3.278 10 0 GGAELO Cc1cc(C)cc(OCc2noc(C[NH2+][C@](C)(CO)Cc3ccccc3F)n2)c1 ZINC001560182220 1126208266 /nfs/dbraw/zinc/20/82/66/1126208266.db2.gz BLBZPPXPBWWNRG-QFIPXVFZSA-N 1 2 399.466 3.488 10 0 GGAELO C[C@@](CO)(Cc1ccccc1F)[NH2+]Cc1noc(-c2ccc(F)cc2F)n1 ZINC001654935892 1126254408 /nfs/dbraw/zinc/25/44/08/1126254408.db2.gz NROXNLFBHUAOLD-IBGZPJMESA-N 1 2 377.366 3.237 10 0 GGAELO C[C@](CO)(Cc1ccccc1F)[NH2+]Cc1noc(-c2ccc(F)cc2F)n1 ZINC001654935893 1126254430 /nfs/dbraw/zinc/25/44/30/1126254430.db2.gz NROXNLFBHUAOLD-LJQANCHMSA-N 1 2 377.366 3.237 10 0 GGAELO O=C(/C=C\c1ccc(Br)s1)N1CCN(c2cccc[nH+]2)CC1 ZINC000096402985 212156105 /nfs/dbraw/zinc/15/61/05/212156105.db2.gz AHKWJZUDELVGFB-ALCCZGGFSA-N 1 2 378.295 3.268 10 0 GGAELO O=C(Nc1cnn(-c2cccc(C(F)(F)F)c2)c1)[C@H]1CCn2c[nH+]cc2C1 ZINC000095972730 212153448 /nfs/dbraw/zinc/15/34/48/212153448.db2.gz UFXYNSNNZCEFER-LBPRGKRZSA-N 1 2 375.354 3.289 10 0 GGAELO O=C(/C=C\c1c(F)cccc1F)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000096291483 212153066 /nfs/dbraw/zinc/15/30/66/212153066.db2.gz ULVNGYMUJJENCZ-ALCCZGGFSA-N 1 2 384.426 3.257 10 0 GGAELO C[C@@H]1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccccc2)C[C@H](C)[NH2+]1 ZINC000005929721 212148031 /nfs/dbraw/zinc/14/80/31/212148031.db2.gz PUQMQQUAZHQKAX-OKILXGFUSA-N 1 2 395.434 3.015 10 0 GGAELO NC(=O)[C@@H]1CCCC[N@@H+]1Cc1cc(F)cc2c1O[C@@H](c1ccsc1)OC2 ZINC000229664241 212115817 /nfs/dbraw/zinc/11/58/17/212115817.db2.gz ZQHXXDNZOKDYGJ-LPHOPBHVSA-N 1 2 376.453 3.335 10 0 GGAELO NC(=O)[C@@H]1CCCC[N@H+]1Cc1cc(F)cc2c1O[C@@H](c1ccsc1)OC2 ZINC000229664241 212115821 /nfs/dbraw/zinc/11/58/21/212115821.db2.gz ZQHXXDNZOKDYGJ-LPHOPBHVSA-N 1 2 376.453 3.335 10 0 GGAELO CNC(=O)c1ccc([C@@H]2CCCCN2Cc2[nH+]ccn2Cc2ccccc2)n1C ZINC000328628067 212087881 /nfs/dbraw/zinc/08/78/81/212087881.db2.gz GXIZNKUAIUXGGI-FQEVSTJZSA-N 1 2 391.519 3.357 10 0 GGAELO CNC(=O)c1ccc([C@H]2CCCCN2Cc2[nH+]ccn2Cc2ccccc2)n1C ZINC000328628068 212087175 /nfs/dbraw/zinc/08/71/75/212087175.db2.gz GXIZNKUAIUXGGI-HXUWFJFHSA-N 1 2 391.519 3.357 10 0 GGAELO C[C@@H](NC(=O)C1CCN(C(=O)C(C)(C)C)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000008013763 221023446 /nfs/dbraw/zinc/02/34/46/221023446.db2.gz IYQWNROUXWAUCV-MRXNPFEDSA-N 1 2 382.508 3.334 10 0 GGAELO Cc1cccc(NC(=O)CNC(=O)C[N@@H+](C)Cc2ccc(Cl)s2)c1C ZINC000008158369 221029612 /nfs/dbraw/zinc/02/96/12/221029612.db2.gz LCAMNBGPRVQCEH-UHFFFAOYSA-N 1 2 379.913 3.205 10 0 GGAELO Cc1cccc(NC(=O)CNC(=O)C[N@H+](C)Cc2ccc(Cl)s2)c1C ZINC000008158369 221029614 /nfs/dbraw/zinc/02/96/14/221029614.db2.gz LCAMNBGPRVQCEH-UHFFFAOYSA-N 1 2 379.913 3.205 10 0 GGAELO O=C(C[N@@H+]1CCc2sccc2[C@@H]1c1ccccc1)NC(=O)NC1CCCC1 ZINC000008325735 221036593 /nfs/dbraw/zinc/03/65/93/221036593.db2.gz YCHLOHLLXVJEMT-FQEVSTJZSA-N 1 2 383.517 3.464 10 0 GGAELO O=C(C[N@H+]1CCc2sccc2[C@@H]1c1ccccc1)NC(=O)NC1CCCC1 ZINC000008325735 221036594 /nfs/dbraw/zinc/03/65/94/221036594.db2.gz YCHLOHLLXVJEMT-FQEVSTJZSA-N 1 2 383.517 3.464 10 0 GGAELO COc1ccc(F)cc1C[N@H+](C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C ZINC000009389938 221079622 /nfs/dbraw/zinc/07/96/22/221079622.db2.gz HVKAMHFDLXLUFU-AWEZNQCLSA-N 1 2 385.439 3.030 10 0 GGAELO COc1ccc(F)cc1C[N@@H+](C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C ZINC000009389938 221079624 /nfs/dbraw/zinc/07/96/24/221079624.db2.gz HVKAMHFDLXLUFU-AWEZNQCLSA-N 1 2 385.439 3.030 10 0 GGAELO Cc1cc(N2CCN(C(=O)COc3cccc(C)c3C)CC2)nc(C(C)C)[nH+]1 ZINC000011009851 221110034 /nfs/dbraw/zinc/11/00/34/221110034.db2.gz BBGSEBPSZGWGFW-UHFFFAOYSA-N 1 2 382.508 3.253 10 0 GGAELO COc1ccc2c(c1)O[C@H](C)C[N@@H+](CC(=O)N[C@@H]1CCCc3ccccc31)C2 ZINC000012512770 221200168 /nfs/dbraw/zinc/20/01/68/221200168.db2.gz YXOBJRKNJSMOBF-IIBYNOLFSA-N 1 2 380.488 3.472 10 0 GGAELO COc1ccc2c(c1)O[C@H](C)C[N@H+](CC(=O)N[C@@H]1CCCc3ccccc31)C2 ZINC000012512770 221200171 /nfs/dbraw/zinc/20/01/71/221200171.db2.gz YXOBJRKNJSMOBF-IIBYNOLFSA-N 1 2 380.488 3.472 10 0 GGAELO CS(=O)(=O)Nc1ccc(-c2csc(Cc3cn4ccccc4[nH+]3)n2)cc1 ZINC000012525437 221200991 /nfs/dbraw/zinc/20/09/91/221200991.db2.gz HQXLBKKMURZYES-UHFFFAOYSA-N 1 2 384.486 3.420 10 0 GGAELO COc1ccc([C@@H](NC(=O)C2=Cc3ccccc3OC2)c2[nH+]ccn2C)cc1 ZINC000012520720 221201446 /nfs/dbraw/zinc/20/14/46/221201446.db2.gz HNUBAXOKMSBAGW-HXUWFJFHSA-N 1 2 375.428 3.110 10 0 GGAELO Cn1cc[nH+]c1[C@H](NC(=O)[C@@H]1Cc2cc(Cl)ccc2O1)c1ccccc1F ZINC000012549858 221204485 /nfs/dbraw/zinc/20/44/85/221204485.db2.gz ZMKNUJSBPOSRSC-ZWKOTPCHSA-N 1 2 385.826 3.422 10 0 GGAELO Cn1cc[nH+]c1[C@@H](NC(=O)[C@H]1Cc2cc(Cl)ccc2O1)c1ccccc1F ZINC000012549860 221204716 /nfs/dbraw/zinc/20/47/16/221204716.db2.gz ZMKNUJSBPOSRSC-MSOLQXFVSA-N 1 2 385.826 3.422 10 0 GGAELO Cn1cc[nH+]c1[C@H](NC(=O)CN1CCCc2ccccc21)c1ccc(F)cc1 ZINC000012551086 221204825 /nfs/dbraw/zinc/20/48/25/221204825.db2.gz OBLIMKUGBDYOCK-OAQYLSRUSA-N 1 2 378.451 3.218 10 0 GGAELO Cn1c2nn(C[N@@H+]3CCC[C@H]4CCCC[C@@H]43)c(=S)n2c2ccccc2c1=O ZINC000012551061 221204872 /nfs/dbraw/zinc/20/48/72/221204872.db2.gz XRJVHDDLSICMBJ-ZBFHGGJFSA-N 1 2 383.521 3.329 10 0 GGAELO Cn1c2nn(C[N@H+]3CCC[C@H]4CCCC[C@@H]43)c(=S)n2c2ccccc2c1=O ZINC000012551061 221204876 /nfs/dbraw/zinc/20/48/76/221204876.db2.gz XRJVHDDLSICMBJ-ZBFHGGJFSA-N 1 2 383.521 3.329 10 0 GGAELO Cc1nn(CC(C)C)c(C)c1CC(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000012577218 221208470 /nfs/dbraw/zinc/20/84/70/221208470.db2.gz GOLLYCYIYWJSIT-NRFANRHFSA-N 1 2 397.498 3.477 10 0 GGAELO COc1ccc(CCC[N@H+](C)Cn2nc(-c3cccs3)oc2=O)cc1OC ZINC000012684844 221218039 /nfs/dbraw/zinc/21/80/39/221218039.db2.gz GAWNIJUFGBDHDZ-UHFFFAOYSA-N 1 2 389.477 3.104 10 0 GGAELO COc1ccc(CCC[N@@H+](C)Cn2nc(-c3cccs3)oc2=O)cc1OC ZINC000012684844 221218042 /nfs/dbraw/zinc/21/80/42/221218042.db2.gz GAWNIJUFGBDHDZ-UHFFFAOYSA-N 1 2 389.477 3.104 10 0 GGAELO O=C(Nc1nc(C[NH+]2CCCC2)cs1)c1cc(Br)ccc1O ZINC000012736423 221222667 /nfs/dbraw/zinc/22/26/67/221222667.db2.gz MNTMNEGCKWHHEU-UHFFFAOYSA-N 1 2 382.283 3.459 10 0 GGAELO Clc1ccccc1C[N@@H+]1CCO[C@@H](CSc2nnnn2C2CCCC2)C1 ZINC000012750905 221224622 /nfs/dbraw/zinc/22/46/22/221224622.db2.gz ILARJNBSMDKXNK-MRXNPFEDSA-N 1 2 393.944 3.435 10 0 GGAELO Clc1ccccc1C[N@H+]1CCO[C@@H](CSc2nnnn2C2CCCC2)C1 ZINC000012750905 221224624 /nfs/dbraw/zinc/22/46/24/221224624.db2.gz ILARJNBSMDKXNK-MRXNPFEDSA-N 1 2 393.944 3.435 10 0 GGAELO O=C(/C=C/c1cc(Cl)c2c(c1)OCCCO2)N1CCN(c2cccc[nH+]2)CC1 ZINC000012800730 221234216 /nfs/dbraw/zinc/23/42/16/221234216.db2.gz NSMVAOFXLKQVNK-AATRIKPKSA-N 1 2 399.878 3.258 10 0 GGAELO COC(=O)c1cccnc1N1CC[NH+]([C@H](C)c2nc3ccccc3s2)CC1 ZINC000012780502 221230688 /nfs/dbraw/zinc/23/06/88/221230688.db2.gz HQTMOHCCHJJQNY-CQSZACIVSA-N 1 2 382.489 3.361 10 0 GGAELO C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(C[N@H+]2CCC[C@@H](C(F)(F)F)C2)C1=O ZINC000012908316 221245003 /nfs/dbraw/zinc/24/50/03/221245003.db2.gz NJNUZZOGUBYXAI-VQIMIIECSA-N 1 2 395.425 3.174 10 0 GGAELO C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)C1=O ZINC000012908316 221244999 /nfs/dbraw/zinc/24/49/99/221244999.db2.gz NJNUZZOGUBYXAI-VQIMIIECSA-N 1 2 395.425 3.174 10 0 GGAELO C[C@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)o1)C(=O)N1CC[NH+](C)CC1 ZINC000012929479 221248202 /nfs/dbraw/zinc/24/82/02/221248202.db2.gz HWYYVAXSVLXUIU-AWEZNQCLSA-N 1 2 388.537 3.289 10 0 GGAELO C[N@H+](CN1C(=O)C(=O)N(C2CCCC2)C1=O)C(c1ccccc1)c1ccccc1 ZINC000013008207 221256894 /nfs/dbraw/zinc/25/68/94/221256894.db2.gz CRKJFGCUZBEYGP-UHFFFAOYSA-N 1 2 391.471 3.399 10 0 GGAELO C[N@@H+](CN1C(=O)C(=O)N(C2CCCC2)C1=O)C(c1ccccc1)c1ccccc1 ZINC000013008207 221256895 /nfs/dbraw/zinc/25/68/95/221256895.db2.gz CRKJFGCUZBEYGP-UHFFFAOYSA-N 1 2 391.471 3.399 10 0 GGAELO Cc1cc(C)n(-c2nnc(N3CCN(c4cccc[nH+]4)CC3)c3ccccc32)n1 ZINC000013364605 221266954 /nfs/dbraw/zinc/26/69/54/221266954.db2.gz XJHAFIZVYGTSAM-UHFFFAOYSA-N 1 2 385.475 3.154 10 0 GGAELO O=C(Cn1c2ccccc2[nH+]c1NCCO)NCc1ccc(Cl)cc1Cl ZINC000013101361 221260758 /nfs/dbraw/zinc/26/07/58/221260758.db2.gz ZBRVOFWYKYMZIX-UHFFFAOYSA-N 1 2 393.274 3.064 10 0 GGAELO Cc1ccccc1NC(=S)N(CCC[NH+]1CCOCC1)Cc1cccnc1 ZINC000013573206 221274416 /nfs/dbraw/zinc/27/44/16/221274416.db2.gz IGXBLYAXHIGLAZ-UHFFFAOYSA-N 1 2 384.549 3.311 10 0 GGAELO CC[C@@H](c1nnc(SCC(=O)N2CCCC2)n1Cc1ccccc1)[NH+](C)C ZINC000014124083 221299508 /nfs/dbraw/zinc/29/95/08/221299508.db2.gz QPUSPRJAAIGFBN-KRWDZBQOSA-N 1 2 387.553 3.054 10 0 GGAELO CC(=O)Nc1ccc(SCC(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc1 ZINC000014202446 221304512 /nfs/dbraw/zinc/30/45/12/221304512.db2.gz VZZDXVFLQQFIFU-HXUWFJFHSA-N 1 2 383.517 3.252 10 0 GGAELO CC(=O)Nc1ccc(SCC(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)cc1 ZINC000014202446 221304514 /nfs/dbraw/zinc/30/45/14/221304514.db2.gz VZZDXVFLQQFIFU-HXUWFJFHSA-N 1 2 383.517 3.252 10 0 GGAELO CCOc1ccc(OCCC(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000015519960 221336296 /nfs/dbraw/zinc/33/62/96/221336296.db2.gz CDKBQFHNLXXRJD-JOCHJYFZSA-N 1 2 398.503 3.044 10 0 GGAELO O=C(NCc1ccccc1)[C@@H]1Cc2[nH]c[nH+]c2CN1Cc1ccc(Cl)cc1 ZINC000015676220 221340558 /nfs/dbraw/zinc/34/05/58/221340558.db2.gz DPFWLKXCLDWLLM-FQEVSTJZSA-N 1 2 380.879 3.306 10 0 biogenic GGAELO O=C(NCc1ccccc1)[C@@H]1Cc2[nH+]c[nH]c2CN1Cc1ccc(Cl)cc1 ZINC000015676220 221340560 /nfs/dbraw/zinc/34/05/60/221340560.db2.gz DPFWLKXCLDWLLM-FQEVSTJZSA-N 1 2 380.879 3.306 10 0 biogenic GGAELO C[NH+]1CCN(C(=O)c2oc3ccccc3c2NC(=O)Cc2ccc(F)cc2)CC1 ZINC000015727906 221341776 /nfs/dbraw/zinc/34/17/76/221341776.db2.gz AMFATLVRFYNTBX-UHFFFAOYSA-N 1 2 395.434 3.141 10 0 GGAELO Cc1cccc(-c2nc3nc(C)cc(N4CCN(c5cccc[nH+]5)CC4)n3n2)c1 ZINC000015785049 221345643 /nfs/dbraw/zinc/34/56/43/221345643.db2.gz WJRKLNLPGWIVNX-UHFFFAOYSA-N 1 2 385.475 3.130 10 0 GGAELO O=C(c1ccc2c(c1)nc1n2CCCCC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000015786944 221345771 /nfs/dbraw/zinc/34/57/71/221345771.db2.gz WUGVIDZKHMKCCD-UHFFFAOYSA-N 1 2 375.476 3.120 10 0 GGAELO O=C1NC2(CCCC2)C(=O)N1C[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000016358074 221360147 /nfs/dbraw/zinc/36/01/47/221360147.db2.gz NUEXXUDJLSDKIP-UHFFFAOYSA-N 1 2 384.505 3.298 10 0 GGAELO Cc1ccccc1C(=O)NCCC(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000016494226 221364593 /nfs/dbraw/zinc/36/45/93/221364593.db2.gz QOZXBJNJSRRKNK-UHFFFAOYSA-N 1 2 399.922 3.113 10 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ZINC000117291138 564225489 /nfs/dbraw/zinc/22/54/89/564225489.db2.gz WSMXJOAITPROGI-ZDUSSCGKSA-N 1 2 379.913 3.256 10 0 GGAELO CCOCC[N@@H+]1CCN(C(=O)c2sc(-c3cccs3)nc2C)C[C@H]1C ZINC000117277730 564225646 /nfs/dbraw/zinc/22/56/46/564225646.db2.gz DQQRWSMXZBGCBF-CYBMUJFWSA-N 1 2 379.551 3.363 10 0 GGAELO CCOCC[N@H+]1CCN(C(=O)c2sc(-c3cccs3)nc2C)C[C@H]1C ZINC000117277730 564225648 /nfs/dbraw/zinc/22/56/48/564225648.db2.gz DQQRWSMXZBGCBF-CYBMUJFWSA-N 1 2 379.551 3.363 10 0 GGAELO Cc1cccn2c(=O)cc(C[N@@H+]3CCc4cccc(Br)c4C3)nc12 ZINC000118410857 564239518 /nfs/dbraw/zinc/23/95/18/564239518.db2.gz CYPWAPNKALXNJS-UHFFFAOYSA-N 1 2 384.277 3.324 10 0 GGAELO Cc1cccn2c(=O)cc(C[N@H+]3CCc4cccc(Br)c4C3)nc12 ZINC000118410857 564239521 /nfs/dbraw/zinc/23/95/21/564239521.db2.gz CYPWAPNKALXNJS-UHFFFAOYSA-N 1 2 384.277 3.324 10 0 GGAELO C[N@H+](CC(=O)Nc1c(Cl)cccc1Cl)Cc1cc(=O)n2ccsc2n1 ZINC000008152255 564245874 /nfs/dbraw/zinc/24/58/74/564245874.db2.gz NWCZUDRVFKCHPX-UHFFFAOYSA-N 1 2 397.287 3.133 10 0 GGAELO C[N@@H+](CC(=O)Nc1c(Cl)cccc1Cl)Cc1cc(=O)n2ccsc2n1 ZINC000008152255 564245879 /nfs/dbraw/zinc/24/58/79/564245879.db2.gz NWCZUDRVFKCHPX-UHFFFAOYSA-N 1 2 397.287 3.133 10 0 GGAELO O=C(Cc1ccc(Br)s1)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000119290373 564263974 /nfs/dbraw/zinc/26/39/74/564263974.db2.gz CELUNHLOTJDSLA-UHFFFAOYSA-N 1 2 395.322 3.103 10 0 GGAELO NC(=O)C[N@@H+]1CCc2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2C1 ZINC000011990182 564265523 /nfs/dbraw/zinc/26/55/23/564265523.db2.gz VTBVCKNGCTYWBQ-UHFFFAOYSA-N 1 2 378.259 3.089 10 0 GGAELO NC(=O)C[N@H+]1CCc2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2C1 ZINC000011990182 564265525 /nfs/dbraw/zinc/26/55/25/564265525.db2.gz VTBVCKNGCTYWBQ-UHFFFAOYSA-N 1 2 378.259 3.089 10 0 GGAELO Brc1cc(C[N@@H+]2CCC[C@H](n3cncn3)C2)cc2c1OCCCO2 ZINC000119480166 564273238 /nfs/dbraw/zinc/27/32/38/564273238.db2.gz XNPOBUPTKBUWKA-AWEZNQCLSA-N 1 2 393.285 3.039 10 0 GGAELO Brc1cc(C[N@H+]2CCC[C@H](n3cncn3)C2)cc2c1OCCCO2 ZINC000119480166 564273242 /nfs/dbraw/zinc/27/32/42/564273242.db2.gz XNPOBUPTKBUWKA-AWEZNQCLSA-N 1 2 393.285 3.039 10 0 GGAELO Cc1cc(NC(=O)NCc2nnc(-c3ccc(Br)cc3)[nH]2)cc[nH+]1 ZINC000119625192 564280306 /nfs/dbraw/zinc/28/03/06/564280306.db2.gz PMCRMPJFHPJWRR-UHFFFAOYSA-N 1 2 387.241 3.259 10 0 GGAELO Brc1ccc(-c2nnc(C[NH2+]Cc3cccc4c3OCO4)[nH]2)cc1 ZINC000119739763 564285835 /nfs/dbraw/zinc/28/58/35/564285835.db2.gz USOJJBXHCUHMCA-UHFFFAOYSA-N 1 2 387.237 3.253 10 0 GGAELO O=C(NCc1ccnc(-n2cc[nH+]c2)c1)c1cc2ccc(Br)cc2[nH]1 ZINC000119747940 564286730 /nfs/dbraw/zinc/28/67/30/564286730.db2.gz JIAHSIBOJHOMGB-UHFFFAOYSA-N 1 2 396.248 3.441 10 0 GGAELO Cc1ccc(I)cc1C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000119779802 564287818 /nfs/dbraw/zinc/28/78/18/564287818.db2.gz OXFGNCFJSRKAFI-CQSZACIVSA-N 1 2 395.244 3.101 10 0 GGAELO CCN1CC[NH+]([C@H](c2cccs2)[C@@H](C)NC(=O)Cc2cccs2)CC1 ZINC000020857408 564307654 /nfs/dbraw/zinc/30/76/54/564307654.db2.gz ZNSJQNXKNGIMFP-BEFAXECRSA-N 1 2 377.579 3.236 10 0 GGAELO Cc1ncc(C[NH+]2CCN(C(=O)c3cccc(C)c3Br)CC2)s1 ZINC000120213514 564309667 /nfs/dbraw/zinc/30/96/67/564309667.db2.gz FLOPBFXILSSVKZ-UHFFFAOYSA-N 1 2 394.338 3.480 10 0 GGAELO Cc1nc(C)c(C(=O)N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)s1 ZINC000120233583 564311161 /nfs/dbraw/zinc/31/11/61/564311161.db2.gz TXMSJPFJGHTDKG-UHFFFAOYSA-N 1 2 379.913 3.250 10 0 GGAELO COc1ccc2cc3cc(C(=O)N4CC[NH+](C)CC4)sc3nc2c1Cl ZINC000021646677 564312176 /nfs/dbraw/zinc/31/21/76/564312176.db2.gz VOQQISKBJWRJLC-UHFFFAOYSA-N 1 2 375.881 3.499 10 0 GGAELO COc1sc(C[NH+]2CCC(Nc3cccnn3)CC2)cc1Br ZINC000120287282 564313689 /nfs/dbraw/zinc/31/36/89/564313689.db2.gz GOEWIBKOACVQOE-UHFFFAOYSA-N 1 2 383.315 3.386 10 0 GGAELO Cc1cc(S(=O)(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2F)c(C)s1 ZINC000022245638 564315265 /nfs/dbraw/zinc/31/52/65/564315265.db2.gz ROEKFZHNRTYAMF-INIZCTEOSA-N 1 2 379.482 3.305 10 0 GGAELO Cc1cnc(CNC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)s1 ZINC000120526759 564324158 /nfs/dbraw/zinc/32/41/58/564324158.db2.gz GGGUIYLEEZUWKD-GDBMZVCRSA-N 1 2 382.892 3.489 10 0 GGAELO Cc1cnc(CNC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)s1 ZINC000120526759 564324161 /nfs/dbraw/zinc/32/41/61/564324161.db2.gz GGGUIYLEEZUWKD-GDBMZVCRSA-N 1 2 382.892 3.489 10 0 GGAELO COc1ccccc1[C@H](C)[N@H+](C)CC(=O)Nc1ccc(Br)cn1 ZINC000026334657 564346058 /nfs/dbraw/zinc/34/60/58/564346058.db2.gz AZBOUUOSFPHMLZ-LBPRGKRZSA-N 1 2 378.270 3.484 10 0 GGAELO COc1ccccc1[C@H](C)[N@@H+](C)CC(=O)Nc1ccc(Br)cn1 ZINC000026334657 564346064 /nfs/dbraw/zinc/34/60/64/564346064.db2.gz AZBOUUOSFPHMLZ-LBPRGKRZSA-N 1 2 378.270 3.484 10 0 GGAELO O=C(CCC(=O)c1cc(Cl)sc1Cl)NCCCC[NH+]1CCOCC1 ZINC000121022156 564349110 /nfs/dbraw/zinc/34/91/10/564349110.db2.gz BXQJPNONXBSWMT-UHFFFAOYSA-N 1 2 393.336 3.246 10 0 GGAELO CC[N@H+](CCc1nccs1)[C@H](C(N)=O)c1ccc(Br)cc1F ZINC000121117730 564354144 /nfs/dbraw/zinc/35/41/44/564354144.db2.gz VPYXJCIUGGVXRS-AWEZNQCLSA-N 1 2 386.290 3.136 10 0 GGAELO CC[N@@H+](CCc1nccs1)[C@H](C(N)=O)c1ccc(Br)cc1F ZINC000121117730 564354146 /nfs/dbraw/zinc/35/41/46/564354146.db2.gz VPYXJCIUGGVXRS-AWEZNQCLSA-N 1 2 386.290 3.136 10 0 GGAELO Cc1noc([C@@H](C)N2CC[NH+](Cc3cnc(-c4cccs4)s3)CC2)n1 ZINC000121308426 564364113 /nfs/dbraw/zinc/36/41/13/564364113.db2.gz QXRVOUQOISTZNB-GFCCVEGCSA-N 1 2 375.523 3.442 10 0 GGAELO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1c[nH]c2cccc(Br)c12 ZINC000121464444 564370567 /nfs/dbraw/zinc/37/05/67/564370567.db2.gz KLWUIMBRGAVKNK-LBPRGKRZSA-N 1 2 385.265 3.334 10 0 GGAELO O=C(COc1ccc(Cl)c(Cl)c1)NCc1cccnc1-n1cc[nH+]c1 ZINC000029908152 564374376 /nfs/dbraw/zinc/37/43/76/564374376.db2.gz CXSMOKLCKZRPAE-UHFFFAOYSA-N 1 2 377.231 3.269 10 0 GGAELO CC(C)N(C(=O)[C@@H](C)[NH+]1CCN(c2ccc(Br)cn2)CC1)C(C)C ZINC000030201692 564376541 /nfs/dbraw/zinc/37/65/41/564376541.db2.gz FGLZSQXEMLHOQF-OAHLLOKOSA-N 1 2 397.361 3.000 10 0 GGAELO Cc1nc(C[NH+]2CCN(c3ccc(Br)cn3)CC2)nc2ccccc12 ZINC000030203465 564376896 /nfs/dbraw/zinc/37/68/96/564376896.db2.gz OARXLILFZQRMHE-UHFFFAOYSA-N 1 2 398.308 3.418 10 0 GGAELO Oc1cccc(N2CCN(Cc3c[nH+]c4ccc(Br)cn34)CC2)c1 ZINC000121621853 564378220 /nfs/dbraw/zinc/37/82/20/564378220.db2.gz CTWCPFIYAQLWQA-UHFFFAOYSA-N 1 2 387.281 3.125 10 0 GGAELO O=C(C[N@@H+]1CCC[C@@H]1CC(=O)c1cccs1)Nc1nc2c(s1)CCC2 ZINC000121729352 564383452 /nfs/dbraw/zinc/38/34/52/564383452.db2.gz KANPNOMBMKNRRB-GFCCVEGCSA-N 1 2 375.519 3.369 10 0 GGAELO O=C(C[N@H+]1CCC[C@@H]1CC(=O)c1cccs1)Nc1nc2c(s1)CCC2 ZINC000121729352 564383454 /nfs/dbraw/zinc/38/34/54/564383454.db2.gz KANPNOMBMKNRRB-GFCCVEGCSA-N 1 2 375.519 3.369 10 0 GGAELO C[N@@H+]1CC[C@H](NS(=O)(=O)Cc2ccccc2F)[C@@H]1c1ccc(Cl)cc1 ZINC000121742964 564384501 /nfs/dbraw/zinc/38/45/01/564384501.db2.gz UJGBPMGBCDLWKS-ROUUACIJSA-N 1 2 382.888 3.344 10 0 GGAELO C[N@H+]1CC[C@H](NS(=O)(=O)Cc2ccccc2F)[C@@H]1c1ccc(Cl)cc1 ZINC000121742964 564384505 /nfs/dbraw/zinc/38/45/05/564384505.db2.gz UJGBPMGBCDLWKS-ROUUACIJSA-N 1 2 382.888 3.344 10 0 GGAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)COc1ccccc1Br)C2 ZINC000121926152 564393122 /nfs/dbraw/zinc/39/31/22/564393122.db2.gz VVYMABANHAWRBB-UHFFFAOYSA-N 1 2 392.297 3.270 10 0 GGAELO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)c1cc2cc(Cl)ccc2o1 ZINC000031939215 564394351 /nfs/dbraw/zinc/39/43/51/564394351.db2.gz KSFPXRXZTADGCL-GOSISDBHSA-N 1 2 380.897 3.024 10 0 GGAELO C[C@@H](CNC(=O)N1CCC[C@@H]1c1cccc(Br)c1)[NH+]1CCOCC1 ZINC000122111133 564400501 /nfs/dbraw/zinc/40/05/01/564400501.db2.gz HAHZHVDQLHGXEG-WMLDXEAASA-N 1 2 396.329 3.016 10 0 GGAELO Cn1cc[nH+]c1[C@@H](NC(=O)c1coc(Br)c1)c1ccc(F)cc1 ZINC000032613460 564402999 /nfs/dbraw/zinc/40/29/99/564402999.db2.gz CQBJOJPDUMTMMG-AWEZNQCLSA-N 1 2 378.201 3.434 10 0 GGAELO C[C@H](Oc1ccc(F)cc1Br)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000032690238 564404190 /nfs/dbraw/zinc/40/41/90/564404190.db2.gz IIOXHECTDBBYJP-NSHDSACASA-N 1 2 396.260 3.133 10 0 GGAELO C[C@H]([NH2+]C[C@@H](O)C(F)(F)F)c1nc(-c2ccc(Br)cc2)no1 ZINC000122192163 564404408 /nfs/dbraw/zinc/40/44/08/564404408.db2.gz ZFKGLAQDAWZEHG-OIBJUYFYSA-N 1 2 380.164 3.073 10 0 GGAELO C[C@@H]([NH2+]C[C@@H](O)C(F)(F)F)c1nc(-c2ccc(Br)cc2)no1 ZINC000122192332 564404431 /nfs/dbraw/zinc/40/44/31/564404431.db2.gz ZFKGLAQDAWZEHG-GMSGAONNSA-N 1 2 380.164 3.073 10 0 GGAELO COc1ccc(CCC(=O)NCc2ccc[nH+]c2N(C)C)cc1Br ZINC000032690209 564404550 /nfs/dbraw/zinc/40/45/50/564404550.db2.gz LCKMEHOFCTYIEP-UHFFFAOYSA-N 1 2 392.297 3.168 10 0 GGAELO CN(C)c1[nH+]cccc1CNC(=O)COc1ccc(Br)cc1Cl ZINC000032687810 564404758 /nfs/dbraw/zinc/40/47/58/564404758.db2.gz POCQIZJIIXYENH-UHFFFAOYSA-N 1 2 398.688 3.259 10 0 GGAELO CN(C)c1[nH+]cccc1N(C)C(=O)[C@H]1COc2ccc(Br)cc21 ZINC000122243243 564406282 /nfs/dbraw/zinc/40/62/82/564406282.db2.gz VPYOJSIJIZWSNB-ZDUSSCGKSA-N 1 2 376.254 3.049 10 0 GGAELO C[C@H](CNc1ncnc2cccc(I)c21)Cn1cc[nH+]c1 ZINC000545157212 564409884 /nfs/dbraw/zinc/40/98/84/564409884.db2.gz DEXQAOOCOAISNY-LLVKDONJSA-N 1 2 393.232 3.179 10 0 GGAELO C[NH+]1CCN(C(=O)c2csc(COc3cc(Cl)ccc3Cl)n2)CC1 ZINC000036084677 564416664 /nfs/dbraw/zinc/41/66/64/564416664.db2.gz DVFYSJVEKPXIOL-UHFFFAOYSA-N 1 2 386.304 3.417 10 0 GGAELO O=C(c1ccc(Cl)cc1)N1CC[NH+](C[C@H](O)c2ccccc2Cl)CC1 ZINC000040105720 564426410 /nfs/dbraw/zinc/42/64/10/564426410.db2.gz LLSJWTPYJWZVEM-SFHVURJKSA-N 1 2 379.287 3.485 10 0 GGAELO O=C(NCc1cn2cc(Cl)ccc2[nH+]1)C(=O)Nc1ccc(Cl)c(F)c1 ZINC000041311425 564431943 /nfs/dbraw/zinc/43/19/43/564431943.db2.gz YBDMINUQXDJHKI-UHFFFAOYSA-N 1 2 381.194 3.035 10 0 GGAELO O=C(NCc1csc(Br)c1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000041323677 564432157 /nfs/dbraw/zinc/43/21/57/564432157.db2.gz CPEVBGYNBFDTQO-UHFFFAOYSA-N 1 2 395.326 3.374 10 0 GGAELO C[N@H+](CC(=O)N1CCC[C@@H](C(F)(F)F)C1)Cc1ccc(Br)o1 ZINC000123313447 564444933 /nfs/dbraw/zinc/44/49/33/564444933.db2.gz STNTWKGRMHIQIO-SNVBAGLBSA-N 1 2 383.208 3.275 10 0 GGAELO C[N@@H+](CC(=O)N1CCC[C@@H](C(F)(F)F)C1)Cc1ccc(Br)o1 ZINC000123313447 564444938 /nfs/dbraw/zinc/44/49/38/564444938.db2.gz STNTWKGRMHIQIO-SNVBAGLBSA-N 1 2 383.208 3.275 10 0 GGAELO C[C@@H](C(=O)Nc1ccccc1Br)N1CC[NH+](Cc2ccco2)CC1 ZINC000042539998 564447723 /nfs/dbraw/zinc/44/77/23/564447723.db2.gz 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386.290 3.214 10 0 GGAELO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1Cc1ccc(OC)c(OC)c1Br ZINC000065297041 564742179 /nfs/dbraw/zinc/74/21/79/564742179.db2.gz WLRKZMPYRRFGFO-CQSZACIVSA-N 1 2 399.329 3.299 10 0 GGAELO CCN(CC)C(=O)[C@H]1CCC[N@H+]1Cc1ccc(OC)c(OC)c1Br ZINC000065297041 564742184 /nfs/dbraw/zinc/74/21/84/564742184.db2.gz WLRKZMPYRRFGFO-CQSZACIVSA-N 1 2 399.329 3.299 10 0 GGAELO Cc1noc(C)c1C[NH+]1CCN(C(=O)Nc2cccc(Br)c2)CC1 ZINC000132620672 564748667 /nfs/dbraw/zinc/74/86/67/564748667.db2.gz BDQVYPJPOZYRLY-UHFFFAOYSA-N 1 2 393.285 3.404 10 0 GGAELO Cc1noc([C@H]2CCC[N@H+](Cc3nc4ccc(Br)cc4[nH]3)C2)n1 ZINC000132625994 564749079 /nfs/dbraw/zinc/74/90/79/564749079.db2.gz DTJAIILGZPIJGR-NSHDSACASA-N 1 2 376.258 3.396 10 0 GGAELO Cc1noc([C@H]2CCC[N@@H+](Cc3nc4ccc(Br)cc4[nH]3)C2)n1 ZINC000132625994 564749084 /nfs/dbraw/zinc/74/90/84/564749084.db2.gz DTJAIILGZPIJGR-NSHDSACASA-N 1 2 376.258 3.396 10 0 GGAELO O=C(c1ncccc1O)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000133190860 564765362 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CSCCCCNC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000133711269 564783071 /nfs/dbraw/zinc/78/30/71/564783071.db2.gz QLVABZCYAPWIEF-IAGOWNOFSA-N 1 2 385.961 3.154 10 0 GGAELO CSCCCCNC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000133711269 564783076 /nfs/dbraw/zinc/78/30/76/564783076.db2.gz QLVABZCYAPWIEF-IAGOWNOFSA-N 1 2 385.961 3.154 10 0 GGAELO CN(C)C(=O)[C@H]1CCC[N@@H+]1Cc1coc(-c2ccc(Br)cc2)n1 ZINC000068298846 564813694 /nfs/dbraw/zinc/81/36/94/564813694.db2.gz VPSFNGCNCDAXIH-OAHLLOKOSA-N 1 2 378.270 3.157 10 0 GGAELO CN(C)C(=O)[C@H]1CCC[N@H+]1Cc1coc(-c2ccc(Br)cc2)n1 ZINC000068298846 564813695 /nfs/dbraw/zinc/81/36/95/564813695.db2.gz VPSFNGCNCDAXIH-OAHLLOKOSA-N 1 2 378.270 3.157 10 0 GGAELO Cc1cccc2[nH+]c(CNC(=O)NCCc3ccccc3Br)cn21 ZINC000069089170 564832613 /nfs/dbraw/zinc/83/26/13/564832613.db2.gz NOAYQQRYGVVRFW-UHFFFAOYSA-N 1 2 387.281 3.447 10 0 GGAELO CCc1ccc(C[NH+]2CCN(C(=O)c3csc(NC4CC4)n3)CC2)s1 ZINC000494550603 564833171 /nfs/dbraw/zinc/83/31/71/564833171.db2.gz YYDJOJIRIYUDCH-UHFFFAOYSA-N 1 2 376.551 3.299 10 0 GGAELO CN(C)c1[nH+]cccc1CNC(=O)N[C@@H]1CCc2c1cccc2Br ZINC000069270359 564835842 /nfs/dbraw/zinc/83/58/42/564835842.db2.gz GQPGSRXRIMKFLL-MRXNPFEDSA-N 1 2 389.297 3.397 10 0 GGAELO CN(Cc1cc(Br)cs1)C(=O)C[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000070693957 564850133 /nfs/dbraw/zinc/85/01/33/564850133.db2.gz PSNIGSNHABATRF-GJZGRUSLSA-N 1 2 387.343 3.112 10 0 GGAELO CN(Cc1cc(Br)cs1)C(=O)C[N@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000070693957 564850139 /nfs/dbraw/zinc/85/01/39/564850139.db2.gz PSNIGSNHABATRF-GJZGRUSLSA-N 1 2 387.343 3.112 10 0 GGAELO CCc1csc([C@H]2CCC[N@H+](CC(=O)Nc3nnc(C(C)C)s3)C2)n1 ZINC000136935054 564856422 /nfs/dbraw/zinc/85/64/22/564856422.db2.gz YVAPJKFXSNJHOB-LBPRGKRZSA-N 1 2 379.555 3.499 10 0 GGAELO CCc1csc([C@H]2CCC[N@@H+](CC(=O)Nc3nnc(C(C)C)s3)C2)n1 ZINC000136935054 564856423 /nfs/dbraw/zinc/85/64/23/564856423.db2.gz YVAPJKFXSNJHOB-LBPRGKRZSA-N 1 2 379.555 3.499 10 0 GGAELO CCc1csc([C@@H]2CCC[N@H+](CC(=O)Nc3nnc(C(C)C)s3)C2)n1 ZINC000136935009 564856511 /nfs/dbraw/zinc/85/65/11/564856511.db2.gz YVAPJKFXSNJHOB-GFCCVEGCSA-N 1 2 379.555 3.499 10 0 GGAELO CCc1csc([C@@H]2CCC[N@@H+](CC(=O)Nc3nnc(C(C)C)s3)C2)n1 ZINC000136935009 564856513 /nfs/dbraw/zinc/85/65/13/564856513.db2.gz YVAPJKFXSNJHOB-GFCCVEGCSA-N 1 2 379.555 3.499 10 0 GGAELO CCCCc1nnc(NC(=O)C[N@@H+]2CCC[C@H](c3nc(C)cs3)C2)s1 ZINC000136928011 564856555 /nfs/dbraw/zinc/85/65/55/564856555.db2.gz SUEUVRSFYLGHEN-ZDUSSCGKSA-N 1 2 379.555 3.464 10 0 GGAELO CCCCc1nnc(NC(=O)C[N@H+]2CCC[C@H](c3nc(C)cs3)C2)s1 ZINC000136928011 564856558 /nfs/dbraw/zinc/85/65/58/564856558.db2.gz SUEUVRSFYLGHEN-ZDUSSCGKSA-N 1 2 379.555 3.464 10 0 GGAELO CC(C)Oc1ccc(S(=O)(=O)NCc2cn3cc(Cl)ccc3[nH+]2)cc1 ZINC000071556503 564857372 /nfs/dbraw/zinc/85/73/72/564857372.db2.gz DTUIYTCNSDWCDL-UHFFFAOYSA-N 1 2 379.869 3.253 10 0 GGAELO CN(C)c1[nH+]cccc1CNC(=O)Cc1cc(Cl)ccc1Br ZINC000137265560 564861082 /nfs/dbraw/zinc/86/10/82/564861082.db2.gz SCQNQMGCKPAKNW-UHFFFAOYSA-N 1 2 382.689 3.422 10 0 GGAELO CCOc1c(Br)cc(C[NH2+]Cc2nncn2C(C)C)cc1OC ZINC000078869819 564865161 /nfs/dbraw/zinc/86/51/61/564865161.db2.gz JCKJKNAWWQFSFS-UHFFFAOYSA-N 1 2 383.290 3.319 10 0 GGAELO Cc1csc([C@@H]2CN(Cc3c[nH+]c4ccc(Br)cn34)CCO2)n1 ZINC000092789772 564880800 /nfs/dbraw/zinc/88/08/00/564880800.db2.gz VOGFKELUFXBUQV-AWEZNQCLSA-N 1 2 393.310 3.435 10 0 GGAELO CCCC(=O)N[C@@H]1CCC[N@H+](Cc2c(Br)cc(OC)cc2OC)C1 ZINC000092708248 564881035 /nfs/dbraw/zinc/88/10/35/564881035.db2.gz GELFGNFTISSRJV-CYBMUJFWSA-N 1 2 399.329 3.347 10 0 GGAELO CCCC(=O)N[C@@H]1CCC[N@@H+](Cc2c(Br)cc(OC)cc2OC)C1 ZINC000092708248 564881037 /nfs/dbraw/zinc/88/10/37/564881037.db2.gz GELFGNFTISSRJV-CYBMUJFWSA-N 1 2 399.329 3.347 10 0 GGAELO CCC(=O)N[C@@H]1CCC[N@H+](Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000092705584 564881544 /nfs/dbraw/zinc/88/15/44/564881544.db2.gz QSMXBTKWVIAIIG-OAHLLOKOSA-N 1 2 391.313 3.330 10 0 GGAELO CCC(=O)N[C@@H]1CCC[N@@H+](Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000092705584 564881548 /nfs/dbraw/zinc/88/15/48/564881548.db2.gz QSMXBTKWVIAIIG-OAHLLOKOSA-N 1 2 391.313 3.330 10 0 GGAELO NC(=O)c1c(F)cc(Br)cc1N1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000092829497 564882165 /nfs/dbraw/zinc/88/21/65/564882165.db2.gz BHNGIYYIICDXAZ-LLVKDONJSA-N 1 2 393.260 3.021 10 0 GGAELO COc1sc(CN2CCCC[C@H]2C[NH+]2CCOCC2)cc1Br ZINC000093011244 564883653 /nfs/dbraw/zinc/88/36/53/564883653.db2.gz HCNSOZLSMUYZTH-ZDUSSCGKSA-N 1 2 389.359 3.206 10 0 GGAELO C[C@@H](C[NH+]1CCN(Cc2nccn2C)CC1)c1cccc(Br)c1 ZINC000093131987 564883949 /nfs/dbraw/zinc/88/39/49/564883949.db2.gz VQCNCSQJOSABPX-HNNXBMFYSA-N 1 2 377.330 3.104 10 0 GGAELO C[N@H+](Cc1cnc2ccc(Br)cn12)[C@H]1CCN(c2ccccc2)C1=O ZINC000093104328 564884050 /nfs/dbraw/zinc/88/40/50/564884050.db2.gz VVWOHGAFYYTRKH-KRWDZBQOSA-N 1 2 399.292 3.334 10 0 GGAELO C[N@@H+](Cc1cnc2ccc(Br)cn12)[C@H]1CCN(c2ccccc2)C1=O ZINC000093104328 564884052 /nfs/dbraw/zinc/88/40/52/564884052.db2.gz VVWOHGAFYYTRKH-KRWDZBQOSA-N 1 2 399.292 3.334 10 0 GGAELO C[N@H+](Cc1cnc2ccc(Br)cn12)[C@@H]1CCN(c2ccccc2)C1=O ZINC000093104326 564884160 /nfs/dbraw/zinc/88/41/60/564884160.db2.gz VVWOHGAFYYTRKH-QGZVFWFLSA-N 1 2 399.292 3.334 10 0 GGAELO C[N@@H+](Cc1cnc2ccc(Br)cn12)[C@@H]1CCN(c2ccccc2)C1=O ZINC000093104326 564884163 /nfs/dbraw/zinc/88/41/63/564884163.db2.gz VVWOHGAFYYTRKH-QGZVFWFLSA-N 1 2 399.292 3.334 10 0 GGAELO COc1sc(C[NH+]2CCC(N(C)c3cccnn3)CC2)cc1Br ZINC000093272485 564884769 /nfs/dbraw/zinc/88/47/69/564884769.db2.gz OPBPKUHDUOWJPH-UHFFFAOYSA-N 1 2 397.342 3.410 10 0 GGAELO Oc1cccc([C@@H]2CN(Cc3c[nH+]c4ccc(Br)cn34)CCO2)c1 ZINC000093457568 564886423 /nfs/dbraw/zinc/88/64/23/564886423.db2.gz RPUOHMIFIDJRIW-KRWDZBQOSA-N 1 2 388.265 3.376 10 0 GGAELO C[N@H+](CCOc1ccccc1Br)Cc1nc(-c2cccnc2)no1 ZINC000093796173 564890767 /nfs/dbraw/zinc/89/07/67/564890767.db2.gz BVHLDKJVUXZPLC-UHFFFAOYSA-N 1 2 389.253 3.405 10 0 GGAELO C[N@@H+](CCOc1ccccc1Br)Cc1nc(-c2cccnc2)no1 ZINC000093796173 564890771 /nfs/dbraw/zinc/89/07/71/564890771.db2.gz BVHLDKJVUXZPLC-UHFFFAOYSA-N 1 2 389.253 3.405 10 0 GGAELO COc1ccc(Br)cc1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000151090036 564904241 /nfs/dbraw/zinc/90/42/41/564904241.db2.gz URCLUDVJKLSEOL-UHFFFAOYSA-N 1 2 390.281 3.252 10 0 GGAELO COc1ccccc1C[N@H+](CCO)Cc1nc2cc(Br)ccc2[nH]1 ZINC000097141145 564906607 /nfs/dbraw/zinc/90/66/07/564906607.db2.gz WOJOAFASYUDNMF-UHFFFAOYSA-N 1 2 390.281 3.329 10 0 GGAELO COc1ccccc1C[N@@H+](CCO)Cc1nc2cc(Br)ccc2[nH]1 ZINC000097141145 564906611 /nfs/dbraw/zinc/90/66/11/564906611.db2.gz WOJOAFASYUDNMF-UHFFFAOYSA-N 1 2 390.281 3.329 10 0 GGAELO COc1cc(C[N@H+](C)CC(=O)Nc2nc3c(s2)CCC3)ccc1SC ZINC000101547082 564917261 /nfs/dbraw/zinc/91/72/61/564917261.db2.gz MVSZQFJSRJMUIJ-UHFFFAOYSA-N 1 2 377.535 3.433 10 0 GGAELO COc1cc(C[N@@H+](C)CC(=O)Nc2nc3c(s2)CCC3)ccc1SC ZINC000101547082 564917266 /nfs/dbraw/zinc/91/72/66/564917266.db2.gz MVSZQFJSRJMUIJ-UHFFFAOYSA-N 1 2 377.535 3.433 10 0 GGAELO Cc1nc(C2([NH2+]C[C@H](O)COc3c(Cl)cccc3Cl)CCCC2)no1 ZINC000101550630 564917757 /nfs/dbraw/zinc/91/77/57/564917757.db2.gz CMRLSTRSRTXXBM-LBPRGKRZSA-N 1 2 386.279 3.484 10 0 GGAELO Cn1cc(Br)cc1C[N@H+](C)CC(=O)Nc1ccnn1C1CCCC1 ZINC000151480623 564922375 /nfs/dbraw/zinc/92/23/75/564922375.db2.gz BDKTYSUHBVYRLS-UHFFFAOYSA-N 1 2 394.317 3.170 10 0 GGAELO Cn1cc(Br)cc1C[N@@H+](C)CC(=O)Nc1ccnn1C1CCCC1 ZINC000151480623 564922380 /nfs/dbraw/zinc/92/23/80/564922380.db2.gz BDKTYSUHBVYRLS-UHFFFAOYSA-N 1 2 394.317 3.170 10 0 GGAELO Cc1ccc(NC(=O)NC2CCN(c3cccc[nH+]3)CC2)c(Br)n1 ZINC000151572587 564927163 /nfs/dbraw/zinc/92/71/63/564927163.db2.gz UARQMBAYJNTZSM-UHFFFAOYSA-N 1 2 390.285 3.338 10 0 GGAELO CCOC(=O)c1sc([C@@H](C)[NH2+][C@H](C)C(=O)NCc2cccs2)nc1C ZINC000151757256 564935072 /nfs/dbraw/zinc/93/50/72/564935072.db2.gz LWPFASBOAGSQPN-VXGBXAGGSA-N 1 2 381.523 3.045 10 0 GGAELO CCOC(=O)c1sc([C@H](C)[NH2+][C@@H](C)C(=O)NCc2cccs2)nc1C ZINC000151757193 564935114 /nfs/dbraw/zinc/93/51/14/564935114.db2.gz LWPFASBOAGSQPN-RYUDHWBXSA-N 1 2 381.523 3.045 10 0 GGAELO CCOC(=O)c1sc([C@H](C)[NH2+][C@H](C)C(=O)NCc2cccs2)nc1C ZINC000151757317 564936174 /nfs/dbraw/zinc/93/61/74/564936174.db2.gz LWPFASBOAGSQPN-NEPJUHHUSA-N 1 2 381.523 3.045 10 0 GGAELO O=C(Nc1ccc(Cl)c(Br)c1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000151765145 564936189 /nfs/dbraw/zinc/93/61/89/564936189.db2.gz FADPOYMLWLXTHH-LBPRGKRZSA-N 1 2 388.693 3.041 10 0 GGAELO CCn1cnnc1C1CC[NH+](CC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000152156877 564948584 /nfs/dbraw/zinc/94/85/84/564948584.db2.gz ZORRGYDSWFJALG-UHFFFAOYSA-N 1 2 382.295 3.423 10 0 GGAELO CCn1cnnc1[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000103478529 564948880 /nfs/dbraw/zinc/94/88/80/564948880.db2.gz QZCLEEJFCZAZLJ-GFCCVEGCSA-N 1 2 382.295 3.423 10 0 GGAELO CCn1cnnc1[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000103478529 564948882 /nfs/dbraw/zinc/94/88/82/564948882.db2.gz QZCLEEJFCZAZLJ-GFCCVEGCSA-N 1 2 382.295 3.423 10 0 GGAELO C[C@H](C(=O)Nc1ccccc1Br)[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000152214363 564951149 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O=C(COc1cc(Cl)ccc1Cl)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000110959557 565048197 /nfs/dbraw/zinc/04/81/97/565048197.db2.gz DGOATKHNPDGCNE-OAHLLOKOSA-N 1 2 387.307 3.086 10 0 GGAELO O=C(COc1ccc(Cl)cc1Cl)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000110952416 565048265 /nfs/dbraw/zinc/04/82/65/565048265.db2.gz HQPYGLZTCPUUDP-OAHLLOKOSA-N 1 2 387.307 3.086 10 0 GGAELO O=C(COc1ccc(Cl)c(Cl)c1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000110955073 565048398 /nfs/dbraw/zinc/04/83/98/565048398.db2.gz NAHIMFCMENLUAN-CQSZACIVSA-N 1 2 387.307 3.086 10 0 GGAELO CCc1nc([C@@H](C)NC(=O)N2CCC[N@H+](Cc3cscn3)CC2)cs1 ZINC000111526294 565055262 /nfs/dbraw/zinc/05/52/62/565055262.db2.gz CRASXXKXBGGEDL-CYBMUJFWSA-N 1 2 379.555 3.141 10 0 GGAELO CCc1nc([C@@H](C)NC(=O)N2CCC[N@@H+](Cc3cscn3)CC2)cs1 ZINC000111526294 565055266 /nfs/dbraw/zinc/05/52/66/565055266.db2.gz CRASXXKXBGGEDL-CYBMUJFWSA-N 1 2 379.555 3.141 10 0 GGAELO Cc1ncc(C[NH+]2CCN(C(=O)NCCc3ccccc3Cl)CC2)s1 ZINC000111843754 565058095 /nfs/dbraw/zinc/05/80/95/565058095.db2.gz 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ZINC000185205176 565187181 /nfs/dbraw/zinc/18/71/81/565187181.db2.gz WIGMQQWNGBVLIM-QGZVFWFLSA-N 1 2 379.254 3.095 10 0 GGAELO O=C(CCCCOc1ccc(Br)cc1)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000371350121 565188310 /nfs/dbraw/zinc/18/83/10/565188310.db2.gz PTBJXEJGGPEMAY-AWEZNQCLSA-N 1 2 392.297 3.395 10 0 GGAELO O=C(CCCCOc1ccc(Br)cc1)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000371350121 565188317 /nfs/dbraw/zinc/18/83/17/565188317.db2.gz PTBJXEJGGPEMAY-AWEZNQCLSA-N 1 2 392.297 3.395 10 0 GGAELO Cc1ccc(CS(=O)(=O)CC(=O)N[C@H](C)c2ccc(Cl)cc2)c(C)[nH+]1 ZINC000185233206 565188541 /nfs/dbraw/zinc/18/85/41/565188541.db2.gz ZCIGXTUVMOJCCV-CYBMUJFWSA-N 1 2 380.897 3.144 10 0 GGAELO O=C(CCCCOc1ccc(Br)cc1)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000371350122 565188944 /nfs/dbraw/zinc/18/89/44/565188944.db2.gz PTBJXEJGGPEMAY-CQSZACIVSA-N 1 2 392.297 3.395 10 0 GGAELO O=C(CCCCOc1ccc(Br)cc1)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000371350122 565188945 /nfs/dbraw/zinc/18/89/45/565188945.db2.gz PTBJXEJGGPEMAY-CQSZACIVSA-N 1 2 392.297 3.395 10 0 GGAELO Cc1ccc(CS(=O)(=O)[C@@H](C)C(=O)Nc2cc(Cl)ccc2F)c(C)[nH+]1 ZINC000185237879 565189705 /nfs/dbraw/zinc/18/97/05/565189705.db2.gz JTUUYVYRUKTKIS-LBPRGKRZSA-N 1 2 384.860 3.433 10 0 GGAELO CCN(CC)C(=O)C1CC[NH+](Cc2nc3cc(Br)ccc3[nH]2)CC1 ZINC000159024308 565191890 /nfs/dbraw/zinc/19/18/90/565191890.db2.gz UWQRHMUSZLCXOL-UHFFFAOYSA-N 1 2 393.329 3.406 10 0 GGAELO CCN(CC)C(=O)C1CC[NH+](Cc2nc3ccc(Br)cc3[nH]2)CC1 ZINC000159024308 565191894 /nfs/dbraw/zinc/19/18/94/565191894.db2.gz UWQRHMUSZLCXOL-UHFFFAOYSA-N 1 2 393.329 3.406 10 0 GGAELO O=C(NCc1ccc(Cl)cc1Cl)N1CC[NH+](Cc2ccccn2)CC1 ZINC000159034527 565191921 /nfs/dbraw/zinc/19/19/21/565191921.db2.gz CWNBSBULIUDGQQ-UHFFFAOYSA-N 1 2 379.291 3.416 10 0 GGAELO Cc1cc(N2CC[NH+](Cc3cc(Cl)ccc3Cl)CC2)n2ncnc2n1 ZINC000159053885 565192592 /nfs/dbraw/zinc/19/25/92/565192592.db2.gz HJMGKVAAYLIOEJ-UHFFFAOYSA-N 1 2 377.279 3.062 10 0 GGAELO CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2nc3ccc(Br)cc3[nH]2)C1 ZINC000159051102 565193333 /nfs/dbraw/zinc/19/33/33/565193333.db2.gz DFRVHFFDEVYSLB-CYBMUJFWSA-N 1 2 393.329 3.454 10 0 GGAELO CCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2nc3ccc(Br)cc3[nH]2)C1 ZINC000159051102 565193335 /nfs/dbraw/zinc/19/33/35/565193335.db2.gz DFRVHFFDEVYSLB-CYBMUJFWSA-N 1 2 393.329 3.454 10 0 GGAELO CCC1(CC)C[N@H+](C[C@H](O)COc2cc(Cl)ccc2Cl)CC[S@]1=O ZINC000185285584 565193410 /nfs/dbraw/zinc/19/34/10/565193410.db2.gz XQERZLHXAWVCMB-LFPIHBKWSA-N 1 2 394.364 3.356 10 0 GGAELO CCC1(CC)C[N@@H+](C[C@H](O)COc2cc(Cl)ccc2Cl)CC[S@]1=O ZINC000185285584 565193413 /nfs/dbraw/zinc/19/34/13/565193413.db2.gz XQERZLHXAWVCMB-LFPIHBKWSA-N 1 2 394.364 3.356 10 0 GGAELO O=C(NCc1cccnc1-n1cc[nH+]c1)[C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000371476091 565195495 /nfs/dbraw/zinc/19/54/95/565195495.db2.gz VKGMDVNJPDBIKT-SJORKVTESA-N 1 2 397.276 3.450 10 0 GGAELO Cc1nc(N2CCN(C(=O)CCSc3ccccc3Cl)CC2)cc[nH+]1 ZINC000185383679 565198457 /nfs/dbraw/zinc/19/84/57/565198457.db2.gz NQRANQSYOKHXAL-UHFFFAOYSA-N 1 2 376.913 3.269 10 0 GGAELO Cc1nc(N2CCN(C(=O)c3ccc(Br)c(Cl)c3)CC2)cc[nH+]1 ZINC000185384370 565198620 /nfs/dbraw/zinc/19/86/20/565198620.db2.gz SFCCGGYSUOPHGF-UHFFFAOYSA-N 1 2 395.688 3.163 10 0 GGAELO Brc1ccc2[nH]c(C[NH+]3CCC(Nc4cccnn4)CC3)nc2c1 ZINC000159312842 565201871 /nfs/dbraw/zinc/20/18/71/565201871.db2.gz OIOVVHIMUROJRU-UHFFFAOYSA-N 1 2 387.285 3.192 10 0 GGAELO Brc1ccc2nc(C[NH+]3CCC(Nc4cccnn4)CC3)[nH]c2c1 ZINC000159312842 565201878 /nfs/dbraw/zinc/20/18/78/565201878.db2.gz OIOVVHIMUROJRU-UHFFFAOYSA-N 1 2 387.285 3.192 10 0 GGAELO Cc1cn2c([nH+]1)CN(C(=O)NCCc1nc3cc(Cl)ccc3s1)CC2 ZINC000371695109 565205444 /nfs/dbraw/zinc/20/54/44/565205444.db2.gz DWDWJYMLWZEBLA-UHFFFAOYSA-N 1 2 375.885 3.223 10 0 GGAELO O=C(NCc1cccnc1-n1cc[nH+]c1)N1Cc2cccc(Br)c2C1 ZINC000185516029 565206866 /nfs/dbraw/zinc/20/68/66/565206866.db2.gz FFIMFSURKUPSML-UHFFFAOYSA-N 1 2 398.264 3.255 10 0 GGAELO C[C@]1(C(N)=O)CCCC[N@@H+]1CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000185926189 565228855 /nfs/dbraw/zinc/22/88/55/565228855.db2.gz LZYJPBROEMKBJF-OAHLLOKOSA-N 1 2 377.794 3.027 10 0 GGAELO C[C@]1(C(N)=O)CCCC[N@H+]1CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000185926189 565228858 /nfs/dbraw/zinc/22/88/58/565228858.db2.gz LZYJPBROEMKBJF-OAHLLOKOSA-N 1 2 377.794 3.027 10 0 GGAELO C[C@]1(C(N)=O)CCCC[N@@H+]1Cc1ncc(-c2cccc(Br)c2)o1 ZINC000185912687 565229021 /nfs/dbraw/zinc/22/90/21/565229021.db2.gz VIWUIIDUIOHNIW-QGZVFWFLSA-N 1 2 378.270 3.334 10 0 GGAELO C[C@]1(C(N)=O)CCCC[N@H+]1Cc1ncc(-c2cccc(Br)c2)o1 ZINC000185912687 565229025 /nfs/dbraw/zinc/22/90/25/565229025.db2.gz VIWUIIDUIOHNIW-QGZVFWFLSA-N 1 2 378.270 3.334 10 0 GGAELO C[C@H]1CN(C(=O)c2ccc(Cl)cc2C(F)(F)F)C[C@@H]1[NH+]1CCOCC1 ZINC000185937252 565229462 /nfs/dbraw/zinc/22/94/62/565229462.db2.gz BFTJBFROORSJIQ-NHYWBVRUSA-N 1 2 376.806 3.152 10 0 GGAELO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N(C)Cc1cc(Br)cn1C)C2 ZINC000372444874 565238985 /nfs/dbraw/zinc/23/89/85/565238985.db2.gz CHZMVWUUQYZCIJ-GFCCVEGCSA-N 1 2 393.329 3.398 10 0 GGAELO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N(C)Cc1cc(Br)cn1C)CC2 ZINC000372444874 565238989 /nfs/dbraw/zinc/23/89/89/565238989.db2.gz CHZMVWUUQYZCIJ-GFCCVEGCSA-N 1 2 393.329 3.398 10 0 GGAELO NC(=O)c1cccc(C[NH2+][C@@H](c2ccc(Br)cc2)c2cncnc2)c1 ZINC000186095204 565239351 /nfs/dbraw/zinc/23/93/51/565239351.db2.gz YLZHYEZOJNDHAF-SFHVURJKSA-N 1 2 397.276 3.217 10 0 GGAELO C[C@H](C(=O)Nc1ccccc1Br)[N@@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000372587097 565246885 /nfs/dbraw/zinc/24/68/85/565246885.db2.gz UZDTZUJIXJQCIL-ZIAGYGMSSA-N 1 2 389.297 3.446 10 0 GGAELO C[C@H](C(=O)Nc1ccccc1Br)[N@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000372587097 565246892 /nfs/dbraw/zinc/24/68/92/565246892.db2.gz UZDTZUJIXJQCIL-ZIAGYGMSSA-N 1 2 389.297 3.446 10 0 GGAELO C[C@@H](C(=O)Nc1ccccc1Br)[N@@H+]1CCC[C@H](c2ccncn2)C1 ZINC000372587086 565247013 /nfs/dbraw/zinc/24/70/13/565247013.db2.gz UZDTZUJIXJQCIL-KBPBESRZSA-N 1 2 389.297 3.446 10 0 GGAELO C[C@@H](C(=O)Nc1ccccc1Br)[N@H+]1CCC[C@H](c2ccncn2)C1 ZINC000372587086 565247017 /nfs/dbraw/zinc/24/70/17/565247017.db2.gz UZDTZUJIXJQCIL-KBPBESRZSA-N 1 2 389.297 3.446 10 0 GGAELO O=C(c1ccc(Br)cc1F)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186442431 565261157 /nfs/dbraw/zinc/26/11/57/565261157.db2.gz HDIGAURMLWPPCA-UHFFFAOYSA-N 1 2 378.245 3.336 10 0 GGAELO C[C@H]([NH2+][C@@H]1CCOc2c(Br)cccc21)c1nc(N)nc(Cl)n1 ZINC000295443157 565266384 /nfs/dbraw/zinc/26/63/84/565266384.db2.gz VULMPHYJDBVJKL-OIBJUYFYSA-N 1 2 384.665 3.044 10 0 GGAELO C[C@H]([NH2+][C@H]1CCOc2c(Br)cccc21)c1nc(N)nc(Cl)n1 ZINC000295443163 565267126 /nfs/dbraw/zinc/26/71/26/565267126.db2.gz VULMPHYJDBVJKL-XVKPBYJWSA-N 1 2 384.665 3.044 10 0 GGAELO CCn1cc[nH+]c1CNC(=O)[C@H](C)CC(=O)c1cccc(Br)c1 ZINC000295563037 565273380 /nfs/dbraw/zinc/27/33/80/565273380.db2.gz FPMDWLFQBUPSEV-GFCCVEGCSA-N 1 2 378.270 3.191 10 0 GGAELO O=S(=O)(/C=C/c1ccc(Br)cc1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000373389583 565283343 /nfs/dbraw/zinc/28/33/43/565283343.db2.gz CHLXOPBRTZXTGC-DPQIITEBSA-N 1 2 382.283 3.310 10 0 GGAELO CCOC(=O)C1CCC(S(=O)(=O)Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000295857880 565290178 /nfs/dbraw/zinc/29/01/78/565290178.db2.gz JBKPQWYGIBWODX-UHFFFAOYSA-N 1 2 384.885 3.024 10 0 GGAELO O[C@@H]1Cc2ccccc2[C@H]1[NH2+]Cc1ncc(Br)cc1Br ZINC000373580104 565292336 /nfs/dbraw/zinc/29/23/36/565292336.db2.gz HCYLNOQGMBMCGJ-HUUCEWRRSA-N 1 2 398.098 3.355 10 0 GGAELO Cn1cc[nH+]c1[C@@H]1N(C(=O)c2n[nH]c3ccc(Br)cc32)CC1(C)C ZINC000295901896 565293069 /nfs/dbraw/zinc/29/30/69/565293069.db2.gz NKNPXIBZTKDZNW-AWEZNQCLSA-N 1 2 388.269 3.282 10 0 GGAELO CCOC(=O)C1(COC)CC[NH+](Cc2sc(C)nc2C(F)(F)F)CC1 ZINC000373788669 565302946 /nfs/dbraw/zinc/30/29/46/565302946.db2.gz AZMQMDLHSWWKRC-UHFFFAOYSA-N 1 2 380.432 3.262 10 0 GGAELO CCn1cc[nH+]c1CNC(=O)N[C@@H](C)c1ccc(OC)c(Br)c1 ZINC000296132053 565303417 /nfs/dbraw/zinc/30/34/17/565303417.db2.gz IHVHMALQPHXDOH-NSHDSACASA-N 1 2 381.274 3.235 10 0 GGAELO CC[C@@H]1C[N@H+](Cc2nc3cc(Br)ccc3[nH]2)C[C@]2(CCOC2)O1 ZINC000373802988 565304090 /nfs/dbraw/zinc/30/40/90/565304090.db2.gz BYGGAEMWVCIAOZ-DYVFJYSZSA-N 1 2 380.286 3.095 10 0 GGAELO CC[C@@H]1C[N@@H+](Cc2nc3cc(Br)ccc3[nH]2)C[C@]2(CCOC2)O1 ZINC000373802988 565304095 /nfs/dbraw/zinc/30/40/95/565304095.db2.gz BYGGAEMWVCIAOZ-DYVFJYSZSA-N 1 2 380.286 3.095 10 0 GGAELO O[C@H](COCc1ccc(Cl)cc1)C[N@@H+]1CCSC[C@@H]1c1nccs1 ZINC000187036740 565304259 /nfs/dbraw/zinc/30/42/59/565304259.db2.gz DZZNJVFLXASHDN-JKSUJKDBSA-N 1 2 384.954 3.464 10 0 GGAELO O[C@H](COCc1ccc(Cl)cc1)C[N@H+]1CCSC[C@@H]1c1nccs1 ZINC000187036740 565304264 /nfs/dbraw/zinc/30/42/64/565304264.db2.gz DZZNJVFLXASHDN-JKSUJKDBSA-N 1 2 384.954 3.464 10 0 GGAELO COc1cccc(F)c1[C@@H](C)[NH2+][C@@H](C(N)=O)c1cccc(Br)c1 ZINC000162168463 565307147 /nfs/dbraw/zinc/30/71/47/565307147.db2.gz NVDMWOIXDWQNNK-QLJPJBMISA-N 1 2 381.245 3.474 10 0 GGAELO CCn1cc[nH+]c1CNC(=O)NCC1(c2cccc(Br)c2)CC1 ZINC000296267995 565310516 /nfs/dbraw/zinc/31/05/16/565310516.db2.gz DBWWCRJXIKNDJK-UHFFFAOYSA-N 1 2 377.286 3.197 10 0 GGAELO O=C(C[N@@H+]1CCC[C@H](c2ccncn2)C1)Nc1ccc(Br)cc1F ZINC000373939288 565311418 /nfs/dbraw/zinc/31/14/18/565311418.db2.gz REUSYZPRKXTXCL-LBPRGKRZSA-N 1 2 393.260 3.196 10 0 GGAELO O=C(C[N@H+]1CCC[C@H](c2ccncn2)C1)Nc1ccc(Br)cc1F ZINC000373939288 565311422 /nfs/dbraw/zinc/31/14/22/565311422.db2.gz REUSYZPRKXTXCL-LBPRGKRZSA-N 1 2 393.260 3.196 10 0 GGAELO Brc1cc2cccnc2c(C[NH+]2CCN(c3cccnn3)CC2)c1 ZINC000162298201 565312907 /nfs/dbraw/zinc/31/29/07/565312907.db2.gz QMXSXMZVDRMDSJ-UHFFFAOYSA-N 1 2 384.281 3.110 10 0 GGAELO C[C@@H]1C[C@]2(CCO1)C[N@@H+](C[C@@H](O)c1cccc(Br)c1)C[C@H](C)O2 ZINC000374017106 565316069 /nfs/dbraw/zinc/31/60/69/565316069.db2.gz IQLCHYWVHZWIRJ-LTCOOKNTSA-N 1 2 384.314 3.141 10 0 GGAELO C[C@@H]1C[C@]2(CCO1)C[N@H+](C[C@@H](O)c1cccc(Br)c1)C[C@H](C)O2 ZINC000374017106 565316073 /nfs/dbraw/zinc/31/60/73/565316073.db2.gz IQLCHYWVHZWIRJ-LTCOOKNTSA-N 1 2 384.314 3.141 10 0 GGAELO C[C@H](C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1)c1ccc(Br)cc1 ZINC000162446927 565317777 /nfs/dbraw/zinc/31/77/77/565317777.db2.gz BEDWEUONGBJQQS-MAUKXSAKSA-N 1 2 395.341 3.266 10 0 GGAELO O=C(CN1CCC(c2c[nH]c[nH+]2)CC1)Nc1c(F)cc(F)cc1Br ZINC000374199131 565325255 /nfs/dbraw/zinc/32/52/55/565325255.db2.gz WZECCPUAVFWZNB-UHFFFAOYSA-N 1 2 399.239 3.269 10 0 GGAELO Brc1cc2cccnc2c(C[N@@H+]2CCO[C@@H](Cn3cccn3)C2)c1 ZINC000162701481 565325727 /nfs/dbraw/zinc/32/57/27/565325727.db2.gz LQUUSOSOEYJRLN-QGZVFWFLSA-N 1 2 387.281 3.095 10 0 GGAELO Brc1cc2cccnc2c(C[N@H+]2CCO[C@@H](Cn3cccn3)C2)c1 ZINC000162701481 565325734 /nfs/dbraw/zinc/32/57/34/565325734.db2.gz LQUUSOSOEYJRLN-QGZVFWFLSA-N 1 2 387.281 3.095 10 0 GGAELO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)c1ccc(Cl)c(Cl)c1O ZINC000162875334 565330339 /nfs/dbraw/zinc/33/03/39/565330339.db2.gz JLSKIFLTEVZXMO-UHFFFAOYSA-N 1 2 375.296 3.129 10 0 GGAELO C[C@H](NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccccc1Br ZINC000162931240 565331999 /nfs/dbraw/zinc/33/19/99/565331999.db2.gz VNGCWHZAXVRICS-KBPBESRZSA-N 1 2 389.297 3.483 10 0 GGAELO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2cc(Br)cc3nc[nH]c32)C1 ZINC000374335139 565332607 /nfs/dbraw/zinc/33/26/07/565332607.db2.gz XCHUDSHIQNLAMY-NSHDSACASA-N 1 2 388.269 3.079 10 0 GGAELO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(C)(C)c2cccc(Br)c2)C1 ZINC000374333570 565333057 /nfs/dbraw/zinc/33/30/57/565333057.db2.gz RSQRULIPWMOUAC-CYBMUJFWSA-N 1 2 376.298 3.476 10 0 GGAELO Cc1ncc(CNC(=O)NCc2cn3cc(Br)cc(C)c3[nH+]2)s1 ZINC000273758942 565334324 /nfs/dbraw/zinc/33/43/24/565334324.db2.gz WPSYDYBRGPBAJF-UHFFFAOYSA-N 1 2 394.298 3.170 10 0 GGAELO Cc1cc(Br)cc(NC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)c1 ZINC000187501078 565337527 /nfs/dbraw/zinc/33/75/27/565337527.db2.gz OYLCXCLOORYTGJ-KRWDZBQOSA-N 1 2 396.329 3.476 10 0 GGAELO CCC1(CC)CN(Cc2c[nH+]c3ccc(Br)cn23)CC[S@@]1=O ZINC000187562395 565341817 /nfs/dbraw/zinc/34/18/17/565341817.db2.gz LXHMMQHYHBXGRC-QFIPXVFZSA-N 1 2 384.343 3.220 10 0 GGAELO CCC1(CC)CN(Cc2c[nH+]c3ccc(Br)cn23)CC[S@]1=O ZINC000187562416 565341945 /nfs/dbraw/zinc/34/19/45/565341945.db2.gz LXHMMQHYHBXGRC-JOCHJYFZSA-N 1 2 384.343 3.220 10 0 GGAELO COc1ccc(Br)cc1[C@H]1CCC[N@@H+]1C[C@@H](C)CS(C)(=O)=O ZINC000163373289 565345468 /nfs/dbraw/zinc/34/54/68/565345468.db2.gz XZZFRJAXWCLKSD-IUODEOHRSA-N 1 2 390.343 3.275 10 0 GGAELO COc1ccc(Br)cc1[C@H]1CCC[N@@H+]1C[C@H](C)CS(C)(=O)=O ZINC000163373159 565344909 /nfs/dbraw/zinc/34/49/09/565344909.db2.gz XZZFRJAXWCLKSD-SWLSCSKDSA-N 1 2 390.343 3.275 10 0 GGAELO COc1ccc(Br)cc1[C@H]1CCC[N@H+]1C[C@H](C)CS(C)(=O)=O ZINC000163373159 565344918 /nfs/dbraw/zinc/34/49/18/565344918.db2.gz XZZFRJAXWCLKSD-SWLSCSKDSA-N 1 2 390.343 3.275 10 0 GGAELO COc1ccc(Br)cc1[C@H]1CCC[N@H+]1C[C@@H](C)CS(C)(=O)=O ZINC000163373289 565345469 /nfs/dbraw/zinc/34/54/69/565345469.db2.gz XZZFRJAXWCLKSD-IUODEOHRSA-N 1 2 390.343 3.275 10 0 GGAELO C[C@H](NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)c1cccc(Br)c1 ZINC000163509601 565346992 /nfs/dbraw/zinc/34/69/92/565346992.db2.gz QUVYLVBILFTSKT-XJKSGUPXSA-N 1 2 389.297 3.483 10 0 GGAELO Cc1cn2c([nH+]1)CN(C(=O)c1cnn(-c3ccc(Cl)cc3Cl)c1)CC2 ZINC000374664085 565349252 /nfs/dbraw/zinc/34/92/52/565349252.db2.gz RFWDRXPHHUSOBN-UHFFFAOYSA-N 1 2 376.247 3.340 10 0 GGAELO Cc1cn2c([nH+]1)CN(C(=O)c1cc(Br)cc(Br)c1)CC2 ZINC000374713346 565352192 /nfs/dbraw/zinc/35/21/92/565352192.db2.gz KAHBTGAHOPLYEP-UHFFFAOYSA-N 1 2 399.086 3.373 10 0 GGAELO Cc1cn2c([nH+]1)CN(C(=O)CCCOc1cccc(Br)c1)CC2 ZINC000374715398 565352274 /nfs/dbraw/zinc/35/22/74/565352274.db2.gz NIGBJGPUPCDHSX-UHFFFAOYSA-N 1 2 378.270 3.155 10 0 GGAELO Cc1cc(Cl)c(NC(=O)C(=O)NCc2[nH+]ccn2CC(C)C)cc1Cl ZINC000164379597 565359057 /nfs/dbraw/zinc/35/90/57/565359057.db2.gz GJAQESPFEZCVPL-UHFFFAOYSA-N 1 2 383.279 3.409 10 0 GGAELO COc1ccc(Br)c(CC(=O)N(C)c2ccc[nH+]c2N(C)C)c1 ZINC000164400707 565360352 /nfs/dbraw/zinc/36/03/52/565360352.db2.gz JRSXZKQUVOAXMI-UHFFFAOYSA-N 1 2 378.270 3.124 10 0 GGAELO O=C(NCc1c(F)cc(Br)cc1F)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000187864157 565360616 /nfs/dbraw/zinc/36/06/16/565360616.db2.gz GZCHWAPKWVTENO-LBPRGKRZSA-N 1 2 399.239 3.298 10 0 GGAELO CC(=O)N1CCCc2ccc(S(=O)(=O)Nc3cc[nH+]c(C)c3Cl)cc21 ZINC000165259344 565369658 /nfs/dbraw/zinc/36/96/58/565369658.db2.gz GBKQKFSNKRBWTL-UHFFFAOYSA-N 1 2 379.869 3.143 10 0 GGAELO O=C(Nc1ccc2nccnc2c1Br)C1CC[NH+](CC(F)F)CC1 ZINC000297599250 565379327 /nfs/dbraw/zinc/37/93/27/565379327.db2.gz ALJHGTXHISALHT-UHFFFAOYSA-N 1 2 399.239 3.308 10 0 GGAELO O=C(C[N@@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1)Nc1ccccc1Br ZINC000188145306 565382816 /nfs/dbraw/zinc/38/28/16/565382816.db2.gz BXAQKSITYKVYTM-KBPBESRZSA-N 1 2 395.322 3.157 10 0 GGAELO O=C(C[N@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1)Nc1ccccc1Br ZINC000188145306 565382821 /nfs/dbraw/zinc/38/28/21/565382821.db2.gz BXAQKSITYKVYTM-KBPBESRZSA-N 1 2 395.322 3.157 10 0 GGAELO CCCC(=O)N[C@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2Br)C1 ZINC000170652064 565384601 /nfs/dbraw/zinc/38/46/01/565384601.db2.gz CYMFZFNRMYRSBB-AWEZNQCLSA-N 1 2 399.329 3.347 10 0 GGAELO CCCC(=O)N[C@H]1CCC[N@@H+](Cc2cc(OC)c(OC)cc2Br)C1 ZINC000170652064 565384606 /nfs/dbraw/zinc/38/46/06/565384606.db2.gz CYMFZFNRMYRSBB-AWEZNQCLSA-N 1 2 399.329 3.347 10 0 GGAELO CCOc1cc(C[NH+]2CCC(NC(=O)C(C)C)CC2)cc(Br)c1O ZINC000297786177 565386525 /nfs/dbraw/zinc/38/65/25/565386525.db2.gz MYCLIKGJOAAYAX-UHFFFAOYSA-N 1 2 399.329 3.290 10 0 GGAELO CCOc1cc(C[N@@H+]2CCS[C@H]3COCC[C@H]32)cc(Br)c1O ZINC000297965822 565393915 /nfs/dbraw/zinc/39/39/15/565393915.db2.gz WWQWIKWCYOZEJD-HIFRSBDPSA-N 1 2 388.327 3.260 10 0 GGAELO CCOc1cc(C[N@H+]2CCS[C@H]3COCC[C@H]32)cc(Br)c1O ZINC000297965822 565393917 /nfs/dbraw/zinc/39/39/17/565393917.db2.gz WWQWIKWCYOZEJD-HIFRSBDPSA-N 1 2 388.327 3.260 10 0 GGAELO CCOc1cc(C[N@@H+]2CCS[C@H]3COCC[C@@H]32)cc(Br)c1O ZINC000297965828 565394207 /nfs/dbraw/zinc/39/42/07/565394207.db2.gz WWQWIKWCYOZEJD-ZFWWWQNUSA-N 1 2 388.327 3.260 10 0 GGAELO CCOc1cc(C[N@H+]2CCS[C@H]3COCC[C@@H]32)cc(Br)c1O ZINC000297965828 565394213 /nfs/dbraw/zinc/39/42/13/565394213.db2.gz WWQWIKWCYOZEJD-ZFWWWQNUSA-N 1 2 388.327 3.260 10 0 GGAELO CCn1cc[nH+]c1CNC(=O)NC1(Cc2ccccc2Br)CC1 ZINC000298220564 565404959 /nfs/dbraw/zinc/40/49/59/565404959.db2.gz VSEFRZRGLRUJKP-UHFFFAOYSA-N 1 2 377.286 3.240 10 0 GGAELO C[C@@H](NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1)c1cccc(Br)c1 ZINC000188568687 565410305 /nfs/dbraw/zinc/41/03/05/565410305.db2.gz KFZFWBFWUOLTBJ-CXAGYDPISA-N 1 2 381.314 3.270 10 0 GGAELO C[C@@H](NC(=O)[C@H]1COCC[N@H+]1C1CCCC1)c1cccc(Br)c1 ZINC000188568687 565410310 /nfs/dbraw/zinc/41/03/10/565410310.db2.gz KFZFWBFWUOLTBJ-CXAGYDPISA-N 1 2 381.314 3.270 10 0 GGAELO C[C@H](NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)c1cccc(Br)c1 ZINC000188568617 565410627 /nfs/dbraw/zinc/41/06/27/565410627.db2.gz KFZFWBFWUOLTBJ-GUYCJALGSA-N 1 2 381.314 3.270 10 0 GGAELO C[C@H](NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1)c1cccc(Br)c1 ZINC000188568617 565410634 /nfs/dbraw/zinc/41/06/34/565410634.db2.gz KFZFWBFWUOLTBJ-GUYCJALGSA-N 1 2 381.314 3.270 10 0 GGAELO CCn1cc[nH+]c1CNC(=O)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000298381249 565412097 /nfs/dbraw/zinc/41/20/97/565412097.db2.gz IWVZVRTWCYTKPW-HNNXBMFYSA-N 1 2 383.279 3.493 10 0 GGAELO O=C(c1ccc(Cl)cc1Cl)N1CC[NH+](C[C@@H](O)CC(F)(F)F)CC1 ZINC000188714989 565419294 /nfs/dbraw/zinc/41/92/94/565419294.db2.gz LADSADIIHKZYCD-NSHDSACASA-N 1 2 385.213 3.065 10 0 GGAELO Cc1ccc(CC(=O)NCc2ccnc(-n3cc[nH+]c3)c2)cc1Br ZINC000188717662 565419559 /nfs/dbraw/zinc/41/95/59/565419559.db2.gz KVONGNMTRYAHHC-UHFFFAOYSA-N 1 2 385.265 3.197 10 0 GGAELO O=C(NCC[N@H+]1CCc2c(Cl)cccc2C1)c1occc1Br ZINC000188754232 565421750 /nfs/dbraw/zinc/42/17/50/565421750.db2.gz LZNLGQOTACVWGU-UHFFFAOYSA-N 1 2 383.673 3.484 10 0 GGAELO O=C(NCC[N@@H+]1CCc2c(Cl)cccc2C1)c1occc1Br ZINC000188754232 565421757 /nfs/dbraw/zinc/42/17/57/565421757.db2.gz LZNLGQOTACVWGU-UHFFFAOYSA-N 1 2 383.673 3.484 10 0 GGAELO O=C(NCC[N@H+]1CCc2c(Cl)cccc2C1)c1cc2c(s1)CCOC2 ZINC000188758061 565421984 /nfs/dbraw/zinc/42/19/84/565421984.db2.gz YJYJEAGTDIRIFU-UHFFFAOYSA-N 1 2 376.909 3.262 10 0 GGAELO O=C(NCC[N@@H+]1CCc2c(Cl)cccc2C1)c1cc2c(s1)CCOC2 ZINC000188758061 565421988 /nfs/dbraw/zinc/42/19/88/565421988.db2.gz YJYJEAGTDIRIFU-UHFFFAOYSA-N 1 2 376.909 3.262 10 0 GGAELO O=C(CSCc1cscn1)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000188750775 565422071 /nfs/dbraw/zinc/42/20/71/565422071.db2.gz SDYPQOXBHOSYFJ-UHFFFAOYSA-N 1 2 381.954 3.204 10 0 GGAELO O=C(CSCc1cscn1)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000188750775 565422075 /nfs/dbraw/zinc/42/20/75/565422075.db2.gz SDYPQOXBHOSYFJ-UHFFFAOYSA-N 1 2 381.954 3.204 10 0 GGAELO C[N@@H+]1CCO[C@H](CNC(=O)c2ccc(-c3ccc(Br)cc3)s2)C1 ZINC000171287679 565424072 /nfs/dbraw/zinc/42/40/72/565424072.db2.gz XJJGGXSVBVUVBA-CQSZACIVSA-N 1 2 395.322 3.238 10 0 GGAELO C[N@H+]1CCO[C@H](CNC(=O)c2ccc(-c3ccc(Br)cc3)s2)C1 ZINC000171287679 565424076 /nfs/dbraw/zinc/42/40/76/565424076.db2.gz XJJGGXSVBVUVBA-CQSZACIVSA-N 1 2 395.322 3.238 10 0 GGAELO CCn1cc[nH+]c1CS(=O)(=O)Cc1ccc(Br)c(Cl)c1 ZINC000188839555 565426176 /nfs/dbraw/zinc/42/61/76/565426176.db2.gz HLHRBEQHNZHBCV-UHFFFAOYSA-N 1 2 377.691 3.434 10 0 GGAELO CCCC[N@@H+]1Cc2cccc(NS(=O)(=O)c3c(C)nn(C)c3Cl)c2C1 ZINC000171345701 565426924 /nfs/dbraw/zinc/42/69/24/565426924.db2.gz ZNBQOMIMBDLDQA-UHFFFAOYSA-N 1 2 382.917 3.298 10 0 GGAELO CCCC[N@H+]1Cc2cccc(NS(=O)(=O)c3c(C)nn(C)c3Cl)c2C1 ZINC000171345701 565426928 /nfs/dbraw/zinc/42/69/28/565426928.db2.gz ZNBQOMIMBDLDQA-UHFFFAOYSA-N 1 2 382.917 3.298 10 0 GGAELO Cn1c[nH+]cc1[C@H]1C[C@H](NC(=O)/C=C/c2ccccc2Br)CCO1 ZINC000275805829 565427904 /nfs/dbraw/zinc/42/79/04/565427904.db2.gz DOQDJTRIBJDZGS-CMFPSAGXSA-N 1 2 390.281 3.232 10 0 GGAELO Cc1cn2c([nH+]1)CN(C(=O)[C@H](C)Sc1ccc(Br)cc1)CC2 ZINC000376265377 565428936 /nfs/dbraw/zinc/42/89/36/565428936.db2.gz KPKGHZYTQMTOOG-LBPRGKRZSA-N 1 2 380.311 3.477 10 0 GGAELO Cn1c[nH+]cc1[C@H]1C[C@H](NC(=O)/C=C/c2ccc(Br)cc2)CCO1 ZINC000276189159 565440198 /nfs/dbraw/zinc/44/01/98/565440198.db2.gz HQVWFPPECIGKJK-CFUSNMPFSA-N 1 2 390.281 3.232 10 0 GGAELO O=C(NC1CC[NH+](Cc2ccncc2)CC1)c1ccc(Cl)c(Cl)c1O ZINC000171674464 565443340 /nfs/dbraw/zinc/44/33/40/565443340.db2.gz YHGXEEFQZSJHRA-UHFFFAOYSA-N 1 2 380.275 3.488 10 0 GGAELO CCOc1cc(C[NH2+]Cc2nnc3n2CCCCC3)cc(Br)c1O ZINC000299264247 565445238 /nfs/dbraw/zinc/44/52/38/565445238.db2.gz MMDGKYZWAWQBRO-UHFFFAOYSA-N 1 2 395.301 3.161 10 0 GGAELO COc1ccc(Cl)cc1C[NH2+][C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000171758557 565449470 /nfs/dbraw/zinc/44/94/70/565449470.db2.gz PUKMIIZCLGJACU-OAHLLOKOSA-N 1 2 383.673 3.427 10 0 GGAELO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc(Br)cc1C ZINC000171995175 565461365 /nfs/dbraw/zinc/46/13/65/565461365.db2.gz DABFNUIOLLTVMM-MRXNPFEDSA-N 1 2 396.329 3.029 10 0 GGAELO CCN(CC)C(=O)[C@H]1CCC[N@H+]1CC(=O)Nc1ccc(Br)cc1C ZINC000171995175 565461371 /nfs/dbraw/zinc/46/13/71/565461371.db2.gz DABFNUIOLLTVMM-MRXNPFEDSA-N 1 2 396.329 3.029 10 0 GGAELO CO[C@H]1C[N@H+](CC(=O)Nc2ccc(Br)cc2Cl)CC[C@@H]1C ZINC000189359804 565461232 /nfs/dbraw/zinc/46/12/32/565461232.db2.gz KWTHZPJDHCZHRK-HZMBPMFUSA-N 1 2 375.694 3.398 10 0 GGAELO CO[C@H]1C[N@@H+](CC(=O)Nc2ccc(Br)cc2Cl)CC[C@@H]1C ZINC000189359804 565461237 /nfs/dbraw/zinc/46/12/37/565461237.db2.gz KWTHZPJDHCZHRK-HZMBPMFUSA-N 1 2 375.694 3.398 10 0 GGAELO CC(C)c1ccc(-c2nc(C[N@@H+]3CC[C@H](NS(C)(=O)=O)C3)cs2)cc1 ZINC000172021661 565462394 /nfs/dbraw/zinc/46/23/94/565462394.db2.gz LWCPJAQBZNRFKZ-INIZCTEOSA-N 1 2 379.551 3.057 10 0 GGAELO CC(C)c1ccc(-c2nc(C[N@H+]3CC[C@H](NS(C)(=O)=O)C3)cs2)cc1 ZINC000172021661 565462399 /nfs/dbraw/zinc/46/23/99/565462399.db2.gz LWCPJAQBZNRFKZ-INIZCTEOSA-N 1 2 379.551 3.057 10 0 GGAELO Cc1ccc([C@H]2COCC[N@@H+]2C[C@H](O)COc2cccc(Br)c2)o1 ZINC000172027057 565463829 /nfs/dbraw/zinc/46/38/29/565463829.db2.gz OTQSHKUZDCMMOD-DOTOQJQBSA-N 1 2 396.281 3.164 10 0 GGAELO Cc1ccc([C@H]2COCC[N@H+]2C[C@H](O)COc2cccc(Br)c2)o1 ZINC000172027057 565463836 /nfs/dbraw/zinc/46/38/36/565463836.db2.gz OTQSHKUZDCMMOD-DOTOQJQBSA-N 1 2 396.281 3.164 10 0 GGAELO O=C(CSc1ccc(O)cc1)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000189413110 565464145 /nfs/dbraw/zinc/46/41/45/565464145.db2.gz GPIKNVUBNGPIIX-UHFFFAOYSA-N 1 2 376.909 3.312 10 0 GGAELO O=C(CSc1ccc(O)cc1)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000189413110 565464148 /nfs/dbraw/zinc/46/41/48/565464148.db2.gz GPIKNVUBNGPIIX-UHFFFAOYSA-N 1 2 376.909 3.312 10 0 GGAELO C[C@H](NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)c1ccc(Br)cn1 ZINC000377075255 565465147 /nfs/dbraw/zinc/46/51/47/565465147.db2.gz YCFWOMSOWDSVGZ-NSHDSACASA-N 1 2 378.274 3.217 10 0 GGAELO C[C@H](NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)c1ccc(Br)cn1 ZINC000377075255 565465154 /nfs/dbraw/zinc/46/51/54/565465154.db2.gz YCFWOMSOWDSVGZ-NSHDSACASA-N 1 2 378.274 3.217 10 0 GGAELO C[C@@H]1C[N@@H+]([C@H](CNC(=O)N2CCSCC[C@H]2C)c2cccs2)CCO1 ZINC000189444623 565466462 /nfs/dbraw/zinc/46/64/62/565466462.db2.gz BCKREWRRQHJXOD-BZUAXINKSA-N 1 2 383.583 3.047 10 0 GGAELO C[C@@H]1C[N@H+]([C@H](CNC(=O)N2CCSCC[C@H]2C)c2cccs2)CCO1 ZINC000189444623 565466464 /nfs/dbraw/zinc/46/64/64/565466464.db2.gz BCKREWRRQHJXOD-BZUAXINKSA-N 1 2 383.583 3.047 10 0 GGAELO Cc1ccc(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1I ZINC000377274049 565472583 /nfs/dbraw/zinc/47/25/83/565472583.db2.gz VDQMMSBGRRTMIO-UHFFFAOYSA-N 1 2 395.244 3.343 10 0 GGAELO Cc1ccc(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1I ZINC000377274049 565472587 /nfs/dbraw/zinc/47/25/87/565472587.db2.gz VDQMMSBGRRTMIO-UHFFFAOYSA-N 1 2 395.244 3.343 10 0 GGAELO COC(=O)Cn1ncc2c1nc[nH+]c2N[C@H](C)c1cccc(Cl)c1Cl ZINC000301263002 565475753 /nfs/dbraw/zinc/47/57/53/565475753.db2.gz DOSYTIYEBYITJE-SECBINFHSA-N 1 2 380.235 3.479 10 0 GGAELO COc1cc(Br)cc(C)c1NC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000377779456 565498715 /nfs/dbraw/zinc/49/87/15/565498715.db2.gz YKEYZYRAJDSYSP-LLVKDONJSA-N 1 2 379.258 3.168 10 0 GGAELO COc1cc(Br)cc(C)c1NC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000377779456 565498720 /nfs/dbraw/zinc/49/87/20/565498720.db2.gz YKEYZYRAJDSYSP-LLVKDONJSA-N 1 2 379.258 3.168 10 0 GGAELO CCOc1cc(Br)ccc1NC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000377810792 565499430 /nfs/dbraw/zinc/49/94/30/565499430.db2.gz FGEYKQHBWVNURK-NSHDSACASA-N 1 2 379.258 3.250 10 0 GGAELO CCOc1cc(Br)ccc1NC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000377810792 565499435 /nfs/dbraw/zinc/49/94/35/565499435.db2.gz FGEYKQHBWVNURK-NSHDSACASA-N 1 2 379.258 3.250 10 0 GGAELO O=C(c1ccc(C2SCCCS2)cc1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172751469 565502266 /nfs/dbraw/zinc/50/22/66/565502266.db2.gz CKMXIFUCUKVXGY-QGZVFWFLSA-N 1 2 378.563 3.102 10 0 GGAELO COCc1csc(NC(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)n1 ZINC000190024708 565502770 /nfs/dbraw/zinc/50/27/70/565502770.db2.gz BIYCFYJRBXJXLB-UHFFFAOYSA-N 1 2 380.901 3.123 10 0 GGAELO COCc1csc(NC(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)n1 ZINC000190024708 565502775 /nfs/dbraw/zinc/50/27/75/565502775.db2.gz BIYCFYJRBXJXLB-UHFFFAOYSA-N 1 2 380.901 3.123 10 0 GGAELO Cc1c2cc(Br)ccc2oc1C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172751274 565502771 /nfs/dbraw/zinc/50/27/71/565502771.db2.gz PDSNJRFIYCFRCX-AWEZNQCLSA-N 1 2 393.281 3.050 10 0 GGAELO CC(C)Cn1cc[nH+]c1CNS(=O)(=O)c1ccc(CC(F)(F)F)cc1 ZINC000190107544 565508949 /nfs/dbraw/zinc/50/89/49/565508949.db2.gz YWVBYBYJBDFEKL-UHFFFAOYSA-N 1 2 375.416 3.122 10 0 GGAELO C[C@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[NH+]1CCN(Cc2ccc(Cl)s2)CC1 ZINC000301768215 565509028 /nfs/dbraw/zinc/50/90/28/565509028.db2.gz ZRQQNHPJAMORCD-BZUAXINKSA-N 1 2 383.989 3.412 10 0 GGAELO C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[NH+]1CCN(Cc2ccc(Cl)s2)CC1 ZINC000301768217 565509190 /nfs/dbraw/zinc/50/91/90/565509190.db2.gz ZRQQNHPJAMORCD-OWCLPIDISA-N 1 2 383.989 3.412 10 0 GGAELO O=C(N[C@H]1CCc2c1cccc2Br)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000378051237 565510620 /nfs/dbraw/zinc/51/06/20/565510620.db2.gz HJDXFQKBAHAHPT-HZMBPMFUSA-N 1 2 375.270 3.016 10 0 GGAELO O=C(N[C@H]1CCc2c1cccc2Br)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000378051237 565510626 /nfs/dbraw/zinc/51/06/26/565510626.db2.gz HJDXFQKBAHAHPT-HZMBPMFUSA-N 1 2 375.270 3.016 10 0 GGAELO C[C@H](Oc1ccc(F)cc1Br)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000378082302 565511758 /nfs/dbraw/zinc/51/17/58/565511758.db2.gz GLVWXEGHRPWMLY-NSHDSACASA-N 1 2 396.260 3.485 10 0 GGAELO C[C@H](Oc1ccc(F)cc1Br)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000378082302 565511764 /nfs/dbraw/zinc/51/17/64/565511764.db2.gz GLVWXEGHRPWMLY-NSHDSACASA-N 1 2 396.260 3.485 10 0 GGAELO O=C1[C@H]([N@@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)CCN1c1ccc(Cl)cc1 ZINC000277662786 565512970 /nfs/dbraw/zinc/51/29/70/565512970.db2.gz FBCRFYDXJJMEPS-DFBGVHRSSA-N 1 2 376.806 3.081 10 0 GGAELO O=C1[C@H]([N@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)CCN1c1ccc(Cl)cc1 ZINC000277662786 565512976 /nfs/dbraw/zinc/51/29/76/565512976.db2.gz FBCRFYDXJJMEPS-DFBGVHRSSA-N 1 2 376.806 3.081 10 0 GGAELO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)NC1(c2cccc(Br)c2)CCC1 ZINC000378121238 565512971 /nfs/dbraw/zinc/51/29/71/565512971.db2.gz WDGKEOJFVKJEFI-AWEZNQCLSA-N 1 2 389.297 3.408 10 0 GGAELO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)NC1(c2cccc(Br)c2)CCC1 ZINC000378121238 565512979 /nfs/dbraw/zinc/51/29/79/565512979.db2.gz WDGKEOJFVKJEFI-AWEZNQCLSA-N 1 2 389.297 3.408 10 0 GGAELO O=C(NCC1(c2cccc(Br)c2)CC1)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000378125035 565513222 /nfs/dbraw/zinc/51/32/22/565513222.db2.gz BMOBVLKFYUBSSQ-AWEZNQCLSA-N 1 2 389.297 3.061 10 0 GGAELO O=C(NCC1(c2cccc(Br)c2)CC1)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000378125035 565513229 /nfs/dbraw/zinc/51/32/29/565513229.db2.gz BMOBVLKFYUBSSQ-AWEZNQCLSA-N 1 2 389.297 3.061 10 0 GGAELO C[N@@H+]1CC[C@@H](Nc2ncc(C(N)=O)cc2Cl)[C@H]1c1ccc(Cl)c(F)c1 ZINC000301858973 565513880 /nfs/dbraw/zinc/51/38/80/565513880.db2.gz SIXXZLLJWYRIGY-HUUCEWRRSA-N 1 2 383.254 3.484 10 0 GGAELO C[N@H+]1CC[C@@H](Nc2ncc(C(N)=O)cc2Cl)[C@H]1c1ccc(Cl)c(F)c1 ZINC000301858973 565513884 /nfs/dbraw/zinc/51/38/84/565513884.db2.gz SIXXZLLJWYRIGY-HUUCEWRRSA-N 1 2 383.254 3.484 10 0 GGAELO COc1cccc(S(=O)(=O)CC[N@@H+]2CC[C@H](C(F)(F)F)C(C)(C)C2)c1 ZINC000190180300 565513965 /nfs/dbraw/zinc/51/39/65/565513965.db2.gz SBYGAOQJPNDHSP-HNNXBMFYSA-N 1 2 379.444 3.379 10 0 GGAELO COc1cccc(S(=O)(=O)CC[N@H+]2CC[C@H](C(F)(F)F)C(C)(C)C2)c1 ZINC000190180300 565513971 /nfs/dbraw/zinc/51/39/71/565513971.db2.gz SBYGAOQJPNDHSP-HNNXBMFYSA-N 1 2 379.444 3.379 10 0 GGAELO Cc1cc(N2C[C@H]3OCC[N@H+](Cc4ccccc4)[C@H]3C2)ncc1Br ZINC000301847888 565514519 /nfs/dbraw/zinc/51/45/19/565514519.db2.gz VESHIZDQYLREMO-ZWKOTPCHSA-N 1 2 388.309 3.242 10 0 GGAELO Cc1cc(N2C[C@H]3OCC[N@@H+](Cc4ccccc4)[C@H]3C2)ncc1Br ZINC000301847888 565514522 /nfs/dbraw/zinc/51/45/22/565514522.db2.gz VESHIZDQYLREMO-ZWKOTPCHSA-N 1 2 388.309 3.242 10 0 GGAELO Nc1nc(N2CC[NH+](Cc3ccc(Br)cc3)CC2)nc2ccccc12 ZINC000301853025 565514562 /nfs/dbraw/zinc/51/45/62/565514562.db2.gz AATJZWFXOCXNOF-UHFFFAOYSA-N 1 2 398.308 3.297 10 0 GGAELO CC1(C)C[N@H+](CCOc2cccc(S(C)(=O)=O)c2)CC[C@H]1C(F)(F)F ZINC000190204544 565515146 /nfs/dbraw/zinc/51/51/46/565515146.db2.gz HSVDHDRBEXXGEI-OAHLLOKOSA-N 1 2 379.444 3.379 10 0 GGAELO CC1(C)C[N@@H+](CCOc2cccc(S(C)(=O)=O)c2)CC[C@H]1C(F)(F)F ZINC000190204544 565515150 /nfs/dbraw/zinc/51/51/50/565515150.db2.gz HSVDHDRBEXXGEI-OAHLLOKOSA-N 1 2 379.444 3.379 10 0 GGAELO Cc1cc(Br)ccc1SCC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000378198825 565515509 /nfs/dbraw/zinc/51/55/09/565515509.db2.gz HJMZKAFNNJJLPY-LBPRGKRZSA-N 1 2 380.311 3.246 10 0 GGAELO Cc1cc(Br)ccc1SCC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000378198825 565515514 /nfs/dbraw/zinc/51/55/14/565515514.db2.gz HJMZKAFNNJJLPY-LBPRGKRZSA-N 1 2 380.311 3.246 10 0 GGAELO Cc1cc(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)c2ccc(Br)cc2n1 ZINC000378304093 565520128 /nfs/dbraw/zinc/52/01/28/565520128.db2.gz GNEBUHCTJFKPOE-LBPRGKRZSA-N 1 2 385.265 3.316 10 0 GGAELO Cc1cc(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)c2ccc(Br)cc2n1 ZINC000378304093 565520135 /nfs/dbraw/zinc/52/01/35/565520135.db2.gz GNEBUHCTJFKPOE-LBPRGKRZSA-N 1 2 385.265 3.316 10 0 GGAELO CC[C@@H](Cc1ccccc1Br)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000378310071 565521691 /nfs/dbraw/zinc/52/16/91/565521691.db2.gz NZDHCKOLPYZBGF-JSGCOSHPSA-N 1 2 376.298 3.415 10 0 GGAELO CC[C@@H](Cc1ccccc1Br)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000378310071 565521693 /nfs/dbraw/zinc/52/16/93/565521693.db2.gz NZDHCKOLPYZBGF-JSGCOSHPSA-N 1 2 376.298 3.415 10 0 GGAELO CC(C)c1nc(N2CCc3cccc(Br)c3C2)nc(N(C)C)[nH+]1 ZINC000302013914 565525583 /nfs/dbraw/zinc/52/55/83/565525583.db2.gz XKOGIQKKUURLPA-UHFFFAOYSA-N 1 2 376.302 3.386 10 0 GGAELO O=C(c1cc(=O)[nH]c2ccc(Br)cc21)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000378513216 565530972 /nfs/dbraw/zinc/53/09/72/565530972.db2.gz AYBHRHDURUJJID-CQSZACIVSA-N 1 2 387.237 3.403 10 0 GGAELO O=C(NCc1cccnc1-n1cc[nH+]c1)Nc1cc(Br)ccc1F ZINC000173145789 565531091 /nfs/dbraw/zinc/53/10/91/565531091.db2.gz WTJLIVRXSQNRDN-UHFFFAOYSA-N 1 2 390.216 3.491 10 0 GGAELO Cc1nc(N2CCN(c3cnc4cc(Cl)c(Cl)cc4n3)CC2)cc[nH+]1 ZINC000302152378 565534153 /nfs/dbraw/zinc/53/41/53/565534153.db2.gz LBORSOJYGOIMMF-UHFFFAOYSA-N 1 2 375.263 3.362 10 0 GGAELO Cc1cc(Br)cn2cc(CNC(=O)c3c[nH]nc3C(C)C)[nH+]c12 ZINC000278067868 565537473 /nfs/dbraw/zinc/53/74/73/565537473.db2.gz NYQPLWSMCHFYPL-UHFFFAOYSA-N 1 2 376.258 3.182 10 0 GGAELO COc1cc(Br)ccc1CNc1nc(N(C)C)nc(C(C)C)[nH+]1 ZINC000302541432 565545003 /nfs/dbraw/zinc/54/50/03/565545003.db2.gz SWMRZMXXNICFOU-UHFFFAOYSA-N 1 2 380.290 3.444 10 0 GGAELO COc1cc(Br)ccc1CNc1nc(C(C)C)[nH+]c(N(C)C)n1 ZINC000302541432 565545006 /nfs/dbraw/zinc/54/50/06/565545006.db2.gz SWMRZMXXNICFOU-UHFFFAOYSA-N 1 2 380.290 3.444 10 0 GGAELO CNc1nc(N2CCO[C@@H](c3ccc(F)cc3F)C2)[nH+]cc1Br ZINC000302572053 565546466 /nfs/dbraw/zinc/54/64/66/565546466.db2.gz ZLPJCQUSIRQYKX-CYBMUJFWSA-N 1 2 385.212 3.137 10 0 GGAELO CCc1nnc(N2CC[NH+](Cc3ccc(Br)cc3)CC2)nc1CC ZINC000302742381 565554080 /nfs/dbraw/zinc/55/40/80/565554080.db2.gz QYPGPBPUJSUCEN-UHFFFAOYSA-N 1 2 390.329 3.081 10 0 GGAELO Cn1ncc(Br)c1C[NH2+]Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000278414151 565556918 /nfs/dbraw/zinc/55/69/18/565556918.db2.gz PRFPBXCDMIBUDI-UHFFFAOYSA-N 1 2 386.297 3.147 10 0 GGAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2cccc(Cl)c2Cl)nc[nH+]1 ZINC000173438332 565557436 /nfs/dbraw/zinc/55/74/36/565557436.db2.gz XJYBBFQQEVCQPX-LLVKDONJSA-N 1 2 380.279 3.224 10 0 GGAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2cccc(Cl)c2Cl)[nH+]cn1 ZINC000173438332 565557439 /nfs/dbraw/zinc/55/74/39/565557439.db2.gz XJYBBFQQEVCQPX-LLVKDONJSA-N 1 2 380.279 3.224 10 0 GGAELO CC(C)Cn1cc[nH+]c1CNC(=O)NCCNc1ncc(Cl)cc1Cl ZINC000173456476 565558408 /nfs/dbraw/zinc/55/84/08/565558408.db2.gz RIOPQYDWXJMYAH-UHFFFAOYSA-N 1 2 385.299 3.152 10 0 GGAELO C[C@@H]1COCC[C@@H]1NC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000278431444 565558516 /nfs/dbraw/zinc/55/85/16/565558516.db2.gz GXIHOZBILYFQMV-COXVUDFISA-N 1 2 381.314 3.127 10 0 GGAELO C[C@@H]1COCC[C@@H]1NC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000278431450 565558591 /nfs/dbraw/zinc/55/85/91/565558591.db2.gz GXIHOZBILYFQMV-XOKHGSTOSA-N 1 2 381.314 3.127 10 0 GGAELO CN(C)C(=O)[C@H]1CCC[N@@H+]1Cc1ncc(-c2cccc(Br)c2)o1 ZINC000173505482 565562349 /nfs/dbraw/zinc/56/23/49/565562349.db2.gz KXBWYPPEIXFZRY-CQSZACIVSA-N 1 2 378.270 3.157 10 0 GGAELO CN(C)C(=O)[C@H]1CCC[N@H+]1Cc1ncc(-c2cccc(Br)c2)o1 ZINC000173505482 565562353 /nfs/dbraw/zinc/56/23/53/565562353.db2.gz KXBWYPPEIXFZRY-CQSZACIVSA-N 1 2 378.270 3.157 10 0 GGAELO Nc1[nH+]cnc(N[C@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)c1Cl ZINC000302893089 565563442 /nfs/dbraw/zinc/56/34/42/565563442.db2.gz OFGIGPAMUIPMQV-QMMMGPOBSA-N 1 2 393.200 3.470 10 0 GGAELO Nc1nc[nH+]c(N[C@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)c1Cl ZINC000302893089 565563446 /nfs/dbraw/zinc/56/34/46/565563446.db2.gz OFGIGPAMUIPMQV-QMMMGPOBSA-N 1 2 393.200 3.470 10 0 GGAELO CCc1csc([C@@H]2CCCN(c3cc(N4CCSCC4)nc[nH+]3)C2)n1 ZINC000302905015 565563724 /nfs/dbraw/zinc/56/37/24/565563724.db2.gz SHMCKHUOSJVRFU-CQSZACIVSA-N 1 2 375.567 3.433 10 0 GGAELO CCc1csc([C@@H]2CCCN(c3cc(N4CCSCC4)[nH+]cn3)C2)n1 ZINC000302905015 565563731 /nfs/dbraw/zinc/56/37/31/565563731.db2.gz SHMCKHUOSJVRFU-CQSZACIVSA-N 1 2 375.567 3.433 10 0 GGAELO Cn1ncc(Br)c1C[N@@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000278546520 565564466 /nfs/dbraw/zinc/56/44/66/565564466.db2.gz DDGPVQRZUMXBKH-JTQLQIEISA-N 1 2 392.223 3.235 10 0 GGAELO Cn1ncc(Br)c1C[N@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000278546520 565564469 /nfs/dbraw/zinc/56/44/69/565564469.db2.gz DDGPVQRZUMXBKH-JTQLQIEISA-N 1 2 392.223 3.235 10 0 GGAELO Cc1ncsc1CN(C)C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000190864608 565565595 /nfs/dbraw/zinc/56/55/95/565565595.db2.gz ZSRQERRCIXYSRS-UHFFFAOYSA-N 1 2 378.929 3.305 10 0 GGAELO Cc1ncsc1CN(C)C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000190864608 565565600 /nfs/dbraw/zinc/56/56/00/565565600.db2.gz ZSRQERRCIXYSRS-UHFFFAOYSA-N 1 2 378.929 3.305 10 0 GGAELO COc1ccccc1COC1CC[NH+](Cc2c(Br)cnn2C)CC1 ZINC000278644546 565570389 /nfs/dbraw/zinc/57/03/89/565570389.db2.gz LUNQPGDBSMQJAQ-UHFFFAOYSA-N 1 2 394.313 3.372 10 0 GGAELO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc(Br)c(C)c1 ZINC000303580922 565571586 /nfs/dbraw/zinc/57/15/86/565571586.db2.gz MPGFIAGDOGANBE-INIZCTEOSA-N 1 2 396.329 3.029 10 0 GGAELO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc(Br)c(C)c1 ZINC000303580922 565571589 /nfs/dbraw/zinc/57/15/89/565571589.db2.gz MPGFIAGDOGANBE-INIZCTEOSA-N 1 2 396.329 3.029 10 0 GGAELO Cc1csc(C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)c1Br ZINC000190955866 565572887 /nfs/dbraw/zinc/57/28/87/565572887.db2.gz DBSFTQBNOJDFEX-CYBMUJFWSA-N 1 2 387.343 3.146 10 0 GGAELO CN(C)c1[nH+]cccc1CNC(=O)N1CCc2cc(Br)ccc2C1 ZINC000190985223 565574607 /nfs/dbraw/zinc/57/46/07/565574607.db2.gz RHHORXRYUXFCJO-UHFFFAOYSA-N 1 2 389.297 3.178 10 0 GGAELO C[C@H]([NH2+]Cc1ncc(C(F)(F)F)s1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000278778459 565577438 /nfs/dbraw/zinc/57/74/38/565577438.db2.gz YXDBDGPXUPXRCP-JTQLQIEISA-N 1 2 393.456 3.263 10 0 GGAELO CC(C)[C@](C)(CO)[NH2+]Cc1cc(Br)c(O)c(Br)c1 ZINC000398488282 565577581 /nfs/dbraw/zinc/57/75/81/565577581.db2.gz FIXDMAKLDNXFAJ-ZDUSSCGKSA-N 1 2 381.108 3.414 10 0 GGAELO C[C@@H]([NH2+]Cc1ncc(I)s1)c1ccc2c(c1)OCO2 ZINC000311477808 565581143 /nfs/dbraw/zinc/58/11/43/565581143.db2.gz KHAXVQXNWCPAOL-MRVPVSSYSA-N 1 2 388.230 3.327 10 0 GGAELO CO[C@@]1(CO)CCC[N@H+](CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)C1 ZINC000401796523 565581852 /nfs/dbraw/zinc/58/18/52/565581852.db2.gz YZRSUIQMMRKNNM-HNNXBMFYSA-N 1 2 381.687 3.059 10 0 GGAELO CO[C@@]1(CO)CCC[N@@H+](CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)C1 ZINC000401796523 565581853 /nfs/dbraw/zinc/58/18/53/565581853.db2.gz YZRSUIQMMRKNNM-HNNXBMFYSA-N 1 2 381.687 3.059 10 0 GGAELO COc1ccc([C@H]2C[C@@H](C)[N@H+](Cc3csc(CS(C)(=O)=O)n3)C2)cc1 ZINC000173774635 565585388 /nfs/dbraw/zinc/58/53/88/565585388.db2.gz UJVYZHNIPIAFKZ-HIFRSBDPSA-N 1 2 380.535 3.074 10 0 GGAELO COc1ccc([C@H]2C[C@@H](C)[N@@H+](Cc3csc(CS(C)(=O)=O)n3)C2)cc1 ZINC000173774635 565585394 /nfs/dbraw/zinc/58/53/94/565585394.db2.gz UJVYZHNIPIAFKZ-HIFRSBDPSA-N 1 2 380.535 3.074 10 0 GGAELO CC(C)C[NH+]1CCN(S(=O)(=O)c2c(Cl)cccc2Br)CC1 ZINC000314439089 565587936 /nfs/dbraw/zinc/58/79/36/565587936.db2.gz GOLMUDPAFAJPNI-UHFFFAOYSA-N 1 2 395.750 3.065 10 0 GGAELO C[C@@H]1CN(C(=O)c2csc(-c3ccc(Cl)s3)n2)C[C@H]1[NH+]1CCOCC1 ZINC000173830396 565590646 /nfs/dbraw/zinc/59/06/46/565590646.db2.gz LWASGOPPNYDICI-DGCLKSJQSA-N 1 2 397.953 3.318 10 0 GGAELO C[C@H]1CN(C(=O)CSc2cc(Cl)ccc2Cl)C[C@@H]1[NH+]1CCOCC1 ZINC000173835507 565590983 /nfs/dbraw/zinc/59/09/83/565590983.db2.gz PXITYUHEDHBTJL-WFASDCNBSA-N 1 2 389.348 3.265 10 0 GGAELO O=C(c1cc(-c2ccc(Br)cc2)[nH]n1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000408023657 565591162 /nfs/dbraw/zinc/59/11/62/565591162.db2.gz UCPFCKFWWNBUGF-OAHLLOKOSA-N 1 2 389.297 3.150 10 0 GGAELO O=C(c1cc(-c2ccc(Br)cc2)[nH]n1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000408023657 565591166 /nfs/dbraw/zinc/59/11/66/565591166.db2.gz UCPFCKFWWNBUGF-OAHLLOKOSA-N 1 2 389.297 3.150 10 0 GGAELO O=C([C@H]1COc2ccc(Br)cc21)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000408006762 565591177 /nfs/dbraw/zinc/59/11/77/565591177.db2.gz APDQWFPBJMMFTE-AWEZNQCLSA-N 1 2 376.254 3.054 10 0 GGAELO C[C@@H]1CN(C(=O)CSc2cc(Cl)ccc2Cl)C[C@H]1[NH+]1CCOCC1 ZINC000173835520 565591877 /nfs/dbraw/zinc/59/18/77/565591877.db2.gz PXITYUHEDHBTJL-IUODEOHRSA-N 1 2 389.348 3.265 10 0 GGAELO C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2Cl)C[C@H]1[NH+]1CCOCC1 ZINC000173845715 565592139 /nfs/dbraw/zinc/59/21/39/565592139.db2.gz WRVKUTIVWGRXEN-HALQFCHDSA-N 1 2 383.319 3.276 10 0 GGAELO C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2Cl)C[C@@H]1[NH+]1CCOCC1 ZINC000173845691 565592336 /nfs/dbraw/zinc/59/23/36/565592336.db2.gz WRVKUTIVWGRXEN-YMCQQKJTSA-N 1 2 383.319 3.276 10 0 GGAELO O=C(c1cc(C(F)(F)F)ccc1Br)N1CC[NH+](C2CC2)CC1 ZINC000316868217 565593144 /nfs/dbraw/zinc/59/31/44/565593144.db2.gz WCLNECMFXLGJRW-UHFFFAOYSA-N 1 2 377.204 3.388 10 0 GGAELO C[C@H]1CC(O)C[C@H](C)[NH+]1CC(=O)Nc1ccc(Br)cc1Cl ZINC000191280465 565593271 /nfs/dbraw/zinc/59/32/71/565593271.db2.gz CVAARRGSPPXPAO-UWVGGRQHSA-N 1 2 375.694 3.275 10 0 GGAELO O=C(COc1cc(Cl)cc(Cl)c1)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000173885424 565597160 /nfs/dbraw/zinc/59/71/60/565597160.db2.gz ZSLBWJDDXOZEBU-UHFFFAOYSA-N 1 2 377.231 3.269 10 0 GGAELO COc1ccc(Br)cc1CC(=O)NCc1[nH+]ccn1CC(C)C ZINC000173907848 565598177 /nfs/dbraw/zinc/59/81/77/565598177.db2.gz DBCXLZUOHXQOJB-UHFFFAOYSA-N 1 2 380.286 3.169 10 0 GGAELO Brc1ccc(-c2nc(CN3CC[C@@H]([NH+]4CCOCC4)C3)co2)cc1 ZINC000173904902 565598347 /nfs/dbraw/zinc/59/83/47/565598347.db2.gz DURRYFSUBLHOLT-QGZVFWFLSA-N 1 2 392.297 3.011 10 0 GGAELO Cc1sc(CC(=O)N2CCC[N@H+](Cc3cscn3)CC2)nc1C(C)C ZINC000279163354 565599172 /nfs/dbraw/zinc/59/91/72/565599172.db2.gz GJUNZMCDGFASTI-UHFFFAOYSA-N 1 2 378.567 3.308 10 0 GGAELO Cc1sc(CC(=O)N2CCC[N@@H+](Cc3cscn3)CC2)nc1C(C)C ZINC000279163354 565599175 /nfs/dbraw/zinc/59/91/75/565599175.db2.gz GJUNZMCDGFASTI-UHFFFAOYSA-N 1 2 378.567 3.308 10 0 GGAELO Cc1ccc(S(=O)(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1Br ZINC000408269504 565601725 /nfs/dbraw/zinc/60/17/25/565601725.db2.gz CKRDQNQWOYTWRF-CZUORRHYSA-N 1 2 398.326 3.226 10 0 GGAELO C[C@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000408347784 565605062 /nfs/dbraw/zinc/60/50/62/565605062.db2.gz BIBQXWBYUWKWHF-FZKQIMNGSA-N 1 2 397.313 3.046 10 0 GGAELO C[C@H](C(=O)Nc1cccc(Br)c1)[N@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000408347784 565605069 /nfs/dbraw/zinc/60/50/69/565605069.db2.gz BIBQXWBYUWKWHF-FZKQIMNGSA-N 1 2 397.313 3.046 10 0 GGAELO Cn1c2c([nH+]c1[C@@H]1CCCN1C(=O)c1cncc(Br)c1)CCCC2 ZINC000279269971 565605188 /nfs/dbraw/zinc/60/51/88/565605188.db2.gz WBVINQJVZKPEBF-INIZCTEOSA-N 1 2 389.297 3.434 10 0 GGAELO C[C@@H](c1ccccc1Cl)[NH+]1CCN(C(=O)NCCOCC(F)F)CC1 ZINC000191627055 565618273 /nfs/dbraw/zinc/61/82/73/565618273.db2.gz ZNEIKNILBQFISA-ZDUSSCGKSA-N 1 2 375.847 3.010 10 0 GGAELO COc1cccc(F)c1[C@H](C)[NH2+][C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000174221087 565621800 /nfs/dbraw/zinc/62/18/00/565621800.db2.gz ZRNXGAXPTGZSMZ-MGPLVRAMSA-N 1 2 381.245 3.474 10 0 GGAELO COc1cccc(F)c1[C@H](C)[NH2+][C@H](C(N)=O)c1ccc(Br)cc1 ZINC000174221063 565621804 /nfs/dbraw/zinc/62/18/04/565621804.db2.gz ZRNXGAXPTGZSMZ-QFYYESIMSA-N 1 2 381.245 3.474 10 0 GGAELO C[C@@H]([NH2+][C@@H](C)c1nnc2n1CCCC2)C(=O)Nc1ccc(Br)cc1 ZINC000174297883 565628107 /nfs/dbraw/zinc/62/81/07/565628107.db2.gz RZXMQUDIPPIZKT-NWDGAFQWSA-N 1 2 392.301 3.055 10 0 GGAELO COCc1csc(NC(=O)N2CC[NH+](Cc3cccc(Cl)c3)CC2)n1 ZINC000174377364 565632613 /nfs/dbraw/zinc/63/26/13/565632613.db2.gz IWNFBOGXUYBHSB-UHFFFAOYSA-N 1 2 380.901 3.293 10 0 GGAELO O=S(=O)(NC[C@@H]1CCn2cc[nH+]c2C1)c1c(Cl)cccc1C(F)(F)F ZINC000328625908 565635840 /nfs/dbraw/zinc/63/58/40/565635840.db2.gz LCIXMANDCYXCGC-SNVBAGLBSA-N 1 2 393.818 3.096 10 0 GGAELO Cn1ncc2c1nc(N1CCC(c3ccc(Br)cc3)CC1)[nH+]c2N ZINC000328675247 565638479 /nfs/dbraw/zinc/63/84/79/565638479.db2.gz QQOCABWPAVKQTQ-UHFFFAOYSA-N 1 2 387.285 3.092 10 0 GGAELO O=C(c1csc([C@H]2CCCO2)n1)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000328700812 565639878 /nfs/dbraw/zinc/63/98/78/565639878.db2.gz WJKZCVCXYGXRID-GOEBONIOSA-N 1 2 377.897 3.435 10 0 GGAELO C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000174483852 565639853 /nfs/dbraw/zinc/63/98/53/565639853.db2.gz DJBDZARQCQMEHL-XJKSGUPXSA-N 1 2 387.307 3.084 10 0 GGAELO CSc1ccsc1C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC000409789752 565640045 /nfs/dbraw/zinc/64/00/45/565640045.db2.gz MTDXKSFGOHSMOF-CHWSQXEVSA-N 1 2 377.535 3.409 10 0 GGAELO O=C(C[N@H+]1CC[C@@](O)(C(F)(F)F)C1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000174751798 565655872 /nfs/dbraw/zinc/65/58/72/565655872.db2.gz YMAACXTUJGBRIX-LBPRGKRZSA-N 1 2 390.711 3.296 10 0 GGAELO O=C(C[N@@H+]1CC[C@@](O)(C(F)(F)F)C1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000174751798 565655880 /nfs/dbraw/zinc/65/58/80/565655880.db2.gz YMAACXTUJGBRIX-LBPRGKRZSA-N 1 2 390.711 3.296 10 0 GGAELO Cc1nc([C@H](C)[N@@H+]2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)oc1-c1ccc(Cl)cc1 ZINC000329182271 565658049 /nfs/dbraw/zinc/65/80/49/565658049.db2.gz ONPOJWGDZFRNCU-DUVNUKRYSA-N 1 2 380.897 3.483 10 0 GGAELO Cc1nc([C@H](C)[N@H+]2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)oc1-c1ccc(Cl)cc1 ZINC000329182271 565658056 /nfs/dbraw/zinc/65/80/56/565658056.db2.gz ONPOJWGDZFRNCU-DUVNUKRYSA-N 1 2 380.897 3.483 10 0 GGAELO Cn1ccnc1C[NH2+][C@@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000280331009 565665797 /nfs/dbraw/zinc/66/57/97/565665797.db2.gz 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Brc1cc2cccnc2c(C[N@H+]2CCO[C@@]3(CCCOC3)C2)c1 ZINC000285378159 565903193 /nfs/dbraw/zinc/90/31/93/565903193.db2.gz RLHVGKUPSYERFU-SFHVURJKSA-N 1 2 377.282 3.379 10 0 GGAELO CCc1ncc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cn1 ZINC000414370408 565917150 /nfs/dbraw/zinc/91/71/50/565917150.db2.gz LHWYWEMSTVHFKQ-UHFFFAOYSA-N 1 2 375.314 3.119 10 0 GGAELO Cc1cc(Br)cn2cc(CN3C(=O)[C@H](CC(C)C)N(C)C3=O)[nH+]c12 ZINC000349138267 565923081 /nfs/dbraw/zinc/92/30/81/565923081.db2.gz ITMDQGCOCFKPFL-AWEZNQCLSA-N 1 2 393.285 3.214 10 0 GGAELO O=S(=O)(c1ccc(C(F)(F)F)cc1Cl)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000178635108 565930561 /nfs/dbraw/zinc/93/05/61/565930561.db2.gz OACCSZRDCZROJE-GFCCVEGCSA-N 1 2 382.835 3.218 10 0 GGAELO O=S(=O)(c1ccc(C(F)(F)F)cc1Cl)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000178635108 565930566 /nfs/dbraw/zinc/93/05/66/565930566.db2.gz OACCSZRDCZROJE-GFCCVEGCSA-N 1 2 382.835 3.218 10 0 GGAELO Brc1ccc(C[N@@H+]2CCO[C@H](C3CCC3)C2)c(N2CCOCC2)c1 ZINC000414476764 565940766 /nfs/dbraw/zinc/94/07/66/565940766.db2.gz YLJCKELCUFGFCS-IBGZPJMESA-N 1 2 395.341 3.287 10 0 GGAELO C[C@H](NC(=O)C[N@@H+]1CCC[C@@H]1c1cc[nH]n1)c1ccc(Br)cc1 ZINC000286081046 565940842 /nfs/dbraw/zinc/94/08/42/565940842.db2.gz KCSXWNVYOUZMGO-BLLLJJGKSA-N 1 2 377.286 3.187 10 0 GGAELO C[C@H](NC(=O)C[N@H+]1CCC[C@@H]1c1cc[nH]n1)c1ccc(Br)cc1 ZINC000286081046 565940844 /nfs/dbraw/zinc/94/08/44/565940844.db2.gz KCSXWNVYOUZMGO-BLLLJJGKSA-N 1 2 377.286 3.187 10 0 GGAELO Brc1ccc(C[N@H+]2CCO[C@H](C3CCC3)C2)c(N2CCOCC2)c1 ZINC000414476764 565940770 /nfs/dbraw/zinc/94/07/70/565940770.db2.gz YLJCKELCUFGFCS-IBGZPJMESA-N 1 2 395.341 3.287 10 0 GGAELO COc1cc(-c2noc([C@H]3CCn4cc[nH+]c4C3)n2)cc(Br)c1O ZINC000350614346 565940884 /nfs/dbraw/zinc/94/08/84/565940884.db2.gz SETHDFCEURKKSP-VIFPVBQESA-N 1 2 391.225 3.140 10 0 GGAELO OCC1(c2ccccc2)C[NH+](Cc2ccc(I)cc2)C1 ZINC000414550870 565948411 /nfs/dbraw/zinc/94/84/11/565948411.db2.gz NVOKELCFGQRQRH-UHFFFAOYSA-N 1 2 379.241 3.037 10 0 GGAELO C[C@H](O)[C@H]1C[N@H+](Cc2cnc(-c3ccc(Br)cc3)s2)CCO1 ZINC000414573231 565950122 /nfs/dbraw/zinc/95/01/22/565950122.db2.gz LWMSFKMUWXLDFP-XHDPSFHLSA-N 1 2 383.311 3.154 10 0 GGAELO C[C@H](O)[C@H]1C[N@@H+](Cc2cnc(-c3ccc(Br)cc3)s2)CCO1 ZINC000414573231 565950130 /nfs/dbraw/zinc/95/01/30/565950130.db2.gz LWMSFKMUWXLDFP-XHDPSFHLSA-N 1 2 383.311 3.154 10 0 GGAELO COc1ccc(Sc2ccc(NC(=O)[C@H]3COCC[NH2+]3)cc2Cl)cc1 ZINC000237472518 565960675 /nfs/dbraw/zinc/96/06/75/565960675.db2.gz GXMRZJXDLNPSNA-MRXNPFEDSA-N 1 2 378.881 3.427 10 0 GGAELO C[N@@H+]1CC[C@@H](NC(=O)NCCc2nccs2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179203811 565964665 /nfs/dbraw/zinc/96/46/65/565964665.db2.gz ZDCSRYPIOSWWCI-ZBFHGGJFSA-N 1 2 382.892 3.223 10 0 GGAELO C[N@H+]1CC[C@@H](NC(=O)NCCc2nccs2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179203811 565964670 /nfs/dbraw/zinc/96/46/70/565964670.db2.gz ZDCSRYPIOSWWCI-ZBFHGGJFSA-N 1 2 382.892 3.223 10 0 GGAELO C[C@@](CO)([NH2+]Cc1nnc(C2CC2)n1C1CC1)c1ccc(Br)cc1 ZINC000286540785 565965761 /nfs/dbraw/zinc/96/57/61/565965761.db2.gz OFWMCDXWTXBPEH-SFHVURJKSA-N 1 2 391.313 3.250 10 0 GGAELO O=C(Cc1ccc(Br)c(F)c1)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000179260390 565969415 /nfs/dbraw/zinc/96/94/15/565969415.db2.gz USTULLBRGDNEKG-UHFFFAOYSA-N 1 2 389.228 3.028 10 0 GGAELO Brc1cccc(-c2c[nH]c(C[N@@H+]3CCC[C@H](n4cncn4)C3)n2)c1 ZINC000179464440 565982085 /nfs/dbraw/zinc/98/20/85/565982085.db2.gz BYPZGPVPRUIYJZ-HNNXBMFYSA-N 1 2 387.285 3.268 10 0 GGAELO Brc1cccc(-c2c[nH]c(C[N@H+]3CCC[C@H](n4cncn4)C3)n2)c1 ZINC000179464440 565982087 /nfs/dbraw/zinc/98/20/87/565982087.db2.gz BYPZGPVPRUIYJZ-HNNXBMFYSA-N 1 2 387.285 3.268 10 0 GGAELO CCOc1c(Br)cc(C[N@@H+]2CCC[C@H](n3cncn3)C2)cc1OC ZINC000179464788 565982130 /nfs/dbraw/zinc/98/21/30/565982130.db2.gz BGABGDGGRYNGML-AWEZNQCLSA-N 1 2 395.301 3.285 10 0 GGAELO CCOc1c(Br)cc(C[N@H+]2CCC[C@H](n3cncn3)C2)cc1OC ZINC000179464788 565982131 /nfs/dbraw/zinc/98/21/31/565982131.db2.gz BGABGDGGRYNGML-AWEZNQCLSA-N 1 2 395.301 3.285 10 0 GGAELO O=C(CCn1cc[nH+]c1)N1CCC[C@@H]1c1ccccc1I ZINC000362973629 565986024 /nfs/dbraw/zinc/98/60/24/565986024.db2.gz KNTFRMHIPZQTSX-OAHLLOKOSA-N 1 2 395.244 3.242 10 0 GGAELO CC[C@@H](C)NC(=O)[C@@H](C)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000179552235 565988756 /nfs/dbraw/zinc/98/87/56/565988756.db2.gz AWGGIXWPZNEKMU-HUUCEWRRSA-N 1 2 386.367 3.457 10 0 GGAELO CC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCN(CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000179552235 565988762 /nfs/dbraw/zinc/98/87/62/565988762.db2.gz AWGGIXWPZNEKMU-HUUCEWRRSA-N 1 2 386.367 3.457 10 0 GGAELO O=C(Nc1nncs1)C1CC[NH+](Cc2cc(Br)ccc2F)CC1 ZINC000363124099 565990812 /nfs/dbraw/zinc/99/08/12/565990812.db2.gz OBWSHHWLNUYVDZ-UHFFFAOYSA-N 1 2 399.289 3.290 10 0 GGAELO Cc1nnc([C@@H]2C[N@@H+]([C@@H]3CCCc4ccc(Br)cc43)CCO2)[nH]1 ZINC000179614090 565992346 /nfs/dbraw/zinc/99/23/46/565992346.db2.gz FOQIGJBOHZANBX-CVEARBPZSA-N 1 2 377.286 3.327 10 0 GGAELO Cc1nnc([C@@H]2C[N@H+]([C@@H]3CCCc4ccc(Br)cc43)CCO2)[nH]1 ZINC000179614090 565992349 /nfs/dbraw/zinc/99/23/49/565992349.db2.gz FOQIGJBOHZANBX-CVEARBPZSA-N 1 2 377.286 3.327 10 0 GGAELO Brc1ccc2c(c1)[C@H]([N@@H+]1CCO[C@@H](Cn3cccn3)C1)CCC2 ZINC000179609186 565992751 /nfs/dbraw/zinc/99/27/51/565992751.db2.gz KVDCWOKLWKRSOC-SJLPKXTDSA-N 1 2 376.298 3.424 10 0 GGAELO Brc1ccc2c(c1)[C@H]([N@H+]1CCO[C@@H](Cn3cccn3)C1)CCC2 ZINC000179609186 565992754 /nfs/dbraw/zinc/99/27/54/565992754.db2.gz KVDCWOKLWKRSOC-SJLPKXTDSA-N 1 2 376.298 3.424 10 0 GGAELO C[C@H](N1CC[NH+](C[C@H]2CC(c3ccc(Cl)cc3)=NO2)CC1)C(F)(F)F ZINC000179615683 565994120 /nfs/dbraw/zinc/99/41/20/565994120.db2.gz WPNHORFHWIBMAV-SWLSCSKDSA-N 1 2 375.822 3.401 10 0 GGAELO COc1ccsc1S(=O)(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000245543242 565994646 /nfs/dbraw/zinc/99/46/46/565994646.db2.gz ADMMUDGRYLBUPV-UKRRQHHQSA-N 1 2 386.926 3.134 10 0 GGAELO COc1ccsc1S(=O)(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000245543242 565994649 /nfs/dbraw/zinc/99/46/49/565994649.db2.gz ADMMUDGRYLBUPV-UKRRQHHQSA-N 1 2 386.926 3.134 10 0 GGAELO CCNS(=O)(=O)[C@H]1CC[N@@H+]([C@H](C)c2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000245540037 565994895 /nfs/dbraw/zinc/99/48/95/565994895.db2.gz OUIXNGHUKNUJAB-DOMZBBRYSA-N 1 2 383.901 3.070 10 0 GGAELO CCNS(=O)(=O)[C@H]1CC[N@H+]([C@H](C)c2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000245540037 565994899 /nfs/dbraw/zinc/99/48/99/565994899.db2.gz OUIXNGHUKNUJAB-DOMZBBRYSA-N 1 2 383.901 3.070 10 0 GGAELO CC[N@@H+]1CC[C@@H](NC(=O)c2ncncc2Cl)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245570175 565997067 /nfs/dbraw/zinc/99/70/67/565997067.db2.gz BCBDPRILNZFFSY-GDBMZVCRSA-N 1 2 383.254 3.488 10 0 GGAELO CC[N@H+]1CC[C@@H](NC(=O)c2ncncc2Cl)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245570175 565997069 /nfs/dbraw/zinc/99/70/69/565997069.db2.gz BCBDPRILNZFFSY-GDBMZVCRSA-N 1 2 383.254 3.488 10 0 GGAELO CCCn1cc(C[N@H+](C)CC(=O)Nc2ccc(Br)cc2C)cn1 ZINC000179665809 565998528 /nfs/dbraw/zinc/99/85/28/565998528.db2.gz RGGXAKUEGKBOCO-UHFFFAOYSA-N 1 2 379.302 3.435 10 0 GGAELO CCCn1cc(C[N@@H+](C)CC(=O)Nc2ccc(Br)cc2C)cn1 ZINC000179665809 565998542 /nfs/dbraw/zinc/99/85/42/565998542.db2.gz RGGXAKUEGKBOCO-UHFFFAOYSA-N 1 2 379.302 3.435 10 0 GGAELO C[N@@H+]1CC[C@H](NS(=O)(=O)Cc2ccccc2F)[C@H]1c1ccc(Cl)cc1 ZINC000245633168 565999020 /nfs/dbraw/zinc/99/90/20/565999020.db2.gz UJGBPMGBCDLWKS-ZWKOTPCHSA-N 1 2 382.888 3.344 10 0 GGAELO C[N@H+]1CC[C@H](NS(=O)(=O)Cc2ccccc2F)[C@H]1c1ccc(Cl)cc1 ZINC000245633168 565999026 /nfs/dbraw/zinc/99/90/26/565999026.db2.gz UJGBPMGBCDLWKS-ZWKOTPCHSA-N 1 2 382.888 3.344 10 0 GGAELO CCc1nnsc1C(=O)N[C@@H]1CC[N@@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245601120 565999200 /nfs/dbraw/zinc/99/92/00/565999200.db2.gz OWBLAYWXVLVOOV-CABCVRRESA-N 1 2 382.892 3.458 10 0 GGAELO CCc1nnsc1C(=O)N[C@@H]1CC[N@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245601120 565999201 /nfs/dbraw/zinc/99/92/01/565999201.db2.gz OWBLAYWXVLVOOV-CABCVRRESA-N 1 2 382.892 3.458 10 0 GGAELO CNc1snc(C)c1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245674657 565999783 /nfs/dbraw/zinc/99/97/83/565999783.db2.gz FPTIRFJAUITEHK-HIFRSBDPSA-N 1 2 382.892 3.461 10 0 GGAELO CNc1snc(C)c1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245674657 565999786 /nfs/dbraw/zinc/99/97/86/565999786.db2.gz FPTIRFJAUITEHK-HIFRSBDPSA-N 1 2 382.892 3.461 10 0 GGAELO O=C(c1ccc(Cl)c(Cl)c1O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000179691440 565999919 /nfs/dbraw/zinc/99/99/19/565999919.db2.gz VKBGJCIFGFJEHO-UHFFFAOYSA-N 1 2 387.307 3.416 10 0 GGAELO CC[C@H](CSC)N(C)C(=O)NC[C@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1 ZINC000179703919 566001326 /nfs/dbraw/zinc/00/13/26/566001326.db2.gz FVCBFHKEHLTHIL-BZUAXINKSA-N 1 2 385.599 3.293 10 0 GGAELO CC[C@H](CSC)N(C)C(=O)NC[C@H](c1cccs1)[N@H+]1CCO[C@H](C)C1 ZINC000179703919 566001330 /nfs/dbraw/zinc/00/13/30/566001330.db2.gz FVCBFHKEHLTHIL-BZUAXINKSA-N 1 2 385.599 3.293 10 0 GGAELO C[C@@H]1C[N@H+](C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)CCN1CC(F)(F)F ZINC000179710269 566002263 /nfs/dbraw/zinc/00/22/63/566002263.db2.gz MGKPEXWHEMMELZ-DOMZBBRYSA-N 1 2 375.822 3.401 10 0 GGAELO C[C@@H]1C[N@@H+](C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)CCN1CC(F)(F)F ZINC000179710269 566002266 /nfs/dbraw/zinc/00/22/66/566002266.db2.gz MGKPEXWHEMMELZ-DOMZBBRYSA-N 1 2 375.822 3.401 10 0 GGAELO C[N@@H+]1CC[C@H](NC(=O)c2ccncc2Br)[C@H]1c1ccc(F)c(F)c1 ZINC000245715459 566003029 /nfs/dbraw/zinc/00/30/29/566003029.db2.gz UUMLOLZNKYXALW-JKSUJKDBSA-N 1 2 396.235 3.298 10 0 GGAELO C[N@H+]1CC[C@H](NC(=O)c2ccncc2Br)[C@H]1c1ccc(F)c(F)c1 ZINC000245715459 566003033 /nfs/dbraw/zinc/00/30/33/566003033.db2.gz UUMLOLZNKYXALW-JKSUJKDBSA-N 1 2 396.235 3.298 10 0 GGAELO C[N@@H+]1CC[C@H](NC(=O)c2occc2Br)[C@H]1c1ccc(F)c(F)c1 ZINC000245731823 566003634 /nfs/dbraw/zinc/00/36/34/566003634.db2.gz YVSANMVTHIXILG-UONOGXRCSA-N 1 2 385.208 3.496 10 0 GGAELO C[N@H+]1CC[C@H](NC(=O)c2occc2Br)[C@H]1c1ccc(F)c(F)c1 ZINC000245731823 566003638 /nfs/dbraw/zinc/00/36/38/566003638.db2.gz YVSANMVTHIXILG-UONOGXRCSA-N 1 2 385.208 3.496 10 0 GGAELO C[N@H+](CC(=O)Nc1cc(F)cc(F)c1)[C@H](CO)c1cccc(Br)c1 ZINC000179740307 566005127 /nfs/dbraw/zinc/00/51/27/566005127.db2.gz GCEXZAZZBWLCPH-MRXNPFEDSA-N 1 2 399.235 3.331 10 0 GGAELO C[N@@H+](CC(=O)Nc1cc(F)cc(F)c1)[C@H](CO)c1cccc(Br)c1 ZINC000179740307 566005132 /nfs/dbraw/zinc/00/51/32/566005132.db2.gz GCEXZAZZBWLCPH-MRXNPFEDSA-N 1 2 399.235 3.331 10 0 GGAELO O=C(NCc1cc(Br)cs1)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000363442726 566005760 /nfs/dbraw/zinc/00/57/60/566005760.db2.gz SMNXHDRCHWITGX-UHFFFAOYSA-N 1 2 392.282 3.091 10 0 GGAELO C[N@@H+]1CCO[C@@H](CN[C@H](c2ccccc2)c2ccccc2Br)C1 ZINC000245976190 566011882 /nfs/dbraw/zinc/01/18/82/566011882.db2.gz OTNQFZXZSLLKTI-QFBILLFUSA-N 1 2 375.310 3.459 10 0 GGAELO C[N@H+]1CCO[C@@H](CN[C@H](c2ccccc2)c2ccccc2Br)C1 ZINC000245976190 566011887 /nfs/dbraw/zinc/01/18/87/566011887.db2.gz OTNQFZXZSLLKTI-QFBILLFUSA-N 1 2 375.310 3.459 10 0 GGAELO O=C(NCCNc1ccc2ccccc2[nH+]1)C(=O)c1ccc(Br)cc1 ZINC000608369044 566011867 /nfs/dbraw/zinc/01/18/67/566011867.db2.gz DLOYPSIJEUWCTE-UHFFFAOYSA-N 1 2 398.260 3.408 10 0 GGAELO 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CCn1ccnc1NC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000556837085 566335728 /nfs/dbraw/zinc/33/57/28/566335728.db2.gz ACWARPWZONPPLD-OAHLLOKOSA-N 1 2 377.286 3.441 10 0 GGAELO Brc1cccc(C[C@@H]2CCCC[N@@H+]2Cc2nnc3n2CCOC3)c1 ZINC000421029519 566336074 /nfs/dbraw/zinc/33/60/74/566336074.db2.gz BFJKRMTVRFOWAC-INIZCTEOSA-N 1 2 391.313 3.168 10 0 GGAELO Brc1cccc(C[C@@H]2CCCC[N@H+]2Cc2nnc3n2CCOC3)c1 ZINC000421029519 566336083 /nfs/dbraw/zinc/33/60/83/566336083.db2.gz BFJKRMTVRFOWAC-INIZCTEOSA-N 1 2 391.313 3.168 10 0 GGAELO COc1cc(C(=O)N2CC[NH2+][C@@H](c3ccccc3Cl)C2)cc(Cl)c1O ZINC000669914117 566337133 /nfs/dbraw/zinc/33/71/33/566337133.db2.gz YIFRNFMYESOKLG-OAHLLOKOSA-N 1 2 381.259 3.494 10 0 GGAELO O=C([C@@H]1Cc2cc(Cl)ccc2O1)N1CC[NH2+][C@H](c2ccccc2Cl)C1 ZINC000669912657 566337913 /nfs/dbraw/zinc/33/79/13/566337913.db2.gz GZYAKGSFTWYFMC-WMZOPIPTSA-N 1 2 377.271 3.470 10 0 GGAELO CN(C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1)[C@H]1C[NH+]2CCC1CC2 ZINC000600512911 566343075 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CCN(Cc1cccc(Br)c1)C(=O)Nc1cc[nH+]cc1N(C)C ZINC000670079862 566348104 /nfs/dbraw/zinc/34/81/04/566348104.db2.gz ZVVPMAXKACUEKU-UHFFFAOYSA-N 1 2 377.286 3.386 10 0 GGAELO COc1ccc(Br)cc1CN(C)C(=O)Nc1cc[nH+]cc1N(C)C ZINC000670076546 566348166 /nfs/dbraw/zinc/34/81/66/566348166.db2.gz RFVVCEBKYPUUDY-UHFFFAOYSA-N 1 2 393.285 3.005 10 0 GGAELO CCc1nc(C(=O)NCCc2cn3cc(Br)cc(C)c3[nH+]2)c(C)o1 ZINC000556984778 566352793 /nfs/dbraw/zinc/35/27/93/566352793.db2.gz XOHBLQZSWCJJIN-UHFFFAOYSA-N 1 2 391.269 3.237 10 0 GGAELO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1Cc1cc(Br)cc2c1OCC2 ZINC000462784766 566352811 /nfs/dbraw/zinc/35/28/11/566352811.db2.gz JLOUCOYPKXKGIK-INIZCTEOSA-N 1 2 381.314 3.217 10 0 GGAELO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1Cc1cc(Br)cc2c1OCC2 ZINC000462784766 566352817 /nfs/dbraw/zinc/35/28/17/566352817.db2.gz JLOUCOYPKXKGIK-INIZCTEOSA-N 1 2 381.314 3.217 10 0 GGAELO Oc1cccc(N2CC[NH+](Cc3cc(Br)cc4c3OCC4)CC2)c1 ZINC000462805590 566354391 /nfs/dbraw/zinc/35/43/91/566354391.db2.gz 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CCN(CC)C(=O)[C@H]1CCC[N@@H+]1Cc1nc2ccc(Br)cc2o1 ZINC000463084831 566383163 /nfs/dbraw/zinc/38/31/63/566383163.db2.gz KILFODARNCZXRK-CQSZACIVSA-N 1 2 380.286 3.423 10 0 GGAELO CCN(CC)C(=O)[C@H]1CCC[N@H+]1Cc1nc2ccc(Br)cc2o1 ZINC000463084831 566383166 /nfs/dbraw/zinc/38/31/66/566383166.db2.gz KILFODARNCZXRK-CQSZACIVSA-N 1 2 380.286 3.423 10 0 GGAELO CC1(C)CC[C@@H](C(=O)N(CCn2cc[nH+]c2)Cc2ccc(Br)o2)O1 ZINC000557415113 566383932 /nfs/dbraw/zinc/38/39/32/566383932.db2.gz NIYNSOCCXMRXRB-AWEZNQCLSA-N 1 2 396.285 3.225 10 0 GGAELO CSCCCC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000557419929 566384579 /nfs/dbraw/zinc/38/45/79/566384579.db2.gz CLUCTEIWGBQWCQ-UHFFFAOYSA-N 1 2 386.315 3.411 10 0 GGAELO Cc1cn2c([nH+]1)C[C@@H](C(=O)N[C@@H](C)Cc1ccccc1Br)CC2 ZINC000626096134 566384933 /nfs/dbraw/zinc/38/49/33/566384933.db2.gz PSJMLMWCOIHSDR-WFASDCNBSA-N 1 2 376.298 3.264 10 0 GGAELO Cc1sc2nc(C[NH+]3CCCC3)nc(N[C@@H](C)CC[S@@](C)=O)c2c1C ZINC000447072736 566385043 /nfs/dbraw/zinc/38/50/43/566385043.db2.gz 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CCn1c(C[NH2+]Cc2ccoc2C(=O)OC)nc2cc(Br)ccc21 ZINC000483498935 566387168 /nfs/dbraw/zinc/38/71/68/566387168.db2.gz DXHOZGVNGULYFJ-UHFFFAOYSA-N 1 2 392.253 3.488 10 0 GGAELO O=C(C[NH+]1CCC2(CC1)C(F)(F)C2(F)F)Nc1nc2c(s1)CCCC2 ZINC000649709978 566387310 /nfs/dbraw/zinc/38/73/10/566387310.db2.gz HYGATQNTMFBRLU-UHFFFAOYSA-N 1 2 377.407 3.327 10 0 GGAELO O=C(NC[C@H]1CC12CCSCC2)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000421593200 566387356 /nfs/dbraw/zinc/38/73/56/566387356.db2.gz VQJFDCAXXFTZBP-MSOLQXFVSA-N 1 2 376.591 3.426 10 0 GGAELO O[C@@H](COCc1ccco1)C[N@@H+]1CCc2cc(F)cc(Br)c2C1 ZINC000626132031 566388004 /nfs/dbraw/zinc/38/80/04/566388004.db2.gz SFGAXOYVJGRFDT-CQSZACIVSA-N 1 2 384.245 3.117 10 0 GGAELO O[C@@H](COCc1ccco1)C[N@H+]1CCc2cc(F)cc(Br)c2C1 ZINC000626132031 566388007 /nfs/dbraw/zinc/38/80/07/566388007.db2.gz SFGAXOYVJGRFDT-CQSZACIVSA-N 1 2 384.245 3.117 10 0 GGAELO CCN(C#N)CCSc1nnc([C@@H](C)[NH+](C)C)n1-c1ccc(Cl)cc1 ZINC000601070361 566388765 /nfs/dbraw/zinc/38/87/65/566388765.db2.gz ONJMIKMIWMQLGQ-CYBMUJFWSA-N 1 2 378.933 3.438 10 0 GGAELO CNS(=O)(=O)C[C@H]1CCC[N@H+](Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000626165913 566389393 /nfs/dbraw/zinc/38/93/93/566389393.db2.gz IZJWTTNIMDRWDG-LBPRGKRZSA-N 1 2 384.851 3.120 10 0 GGAELO CNS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000626165913 566389401 /nfs/dbraw/zinc/38/94/01/566389401.db2.gz IZJWTTNIMDRWDG-LBPRGKRZSA-N 1 2 384.851 3.120 10 0 GGAELO Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@@H](C)Cc1ccc(F)c(Br)c1)CC2 ZINC000626152687 566389842 /nfs/dbraw/zinc/38/98/42/566389842.db2.gz ATGWMWABTCADMR-SMDDNHRTSA-N 1 2 394.288 3.403 10 0 GGAELO COC[C@@]1(C)C[N@H+](Cc2ncc(-c3cccc(Br)c3)o2)CCO1 ZINC000626174382 566391046 /nfs/dbraw/zinc/39/10/46/566391046.db2.gz QBAIHIWFTMEHAL-QGZVFWFLSA-N 1 2 381.270 3.341 10 0 GGAELO COC[C@@]1(C)C[N@@H+](Cc2ncc(-c3cccc(Br)c3)o2)CCO1 ZINC000626174382 566391053 /nfs/dbraw/zinc/39/10/53/566391053.db2.gz QBAIHIWFTMEHAL-QGZVFWFLSA-N 1 2 381.270 3.341 10 0 GGAELO CC(C)n1ncnc1C[NH2+]Cc1cc(Cl)cc(I)c1 ZINC000601128997 566392034 /nfs/dbraw/zinc/39/20/34/566392034.db2.gz KICNBMWRDSSJBF-UHFFFAOYSA-N 1 2 390.656 3.407 10 0 GGAELO COC[C@]1(C)C[N@H+](Cc2coc(-c3ccc(Br)cc3)n2)CCO1 ZINC000626172827 566392058 /nfs/dbraw/zinc/39/20/58/566392058.db2.gz HTFHVXMNEMVBAH-KRWDZBQOSA-N 1 2 381.270 3.341 10 0 GGAELO COC[C@]1(C)C[N@@H+](Cc2coc(-c3ccc(Br)cc3)n2)CCO1 ZINC000626172827 566392062 /nfs/dbraw/zinc/39/20/62/566392062.db2.gz HTFHVXMNEMVBAH-KRWDZBQOSA-N 1 2 381.270 3.341 10 0 GGAELO CC(C)[N@H+](Cc1nc(Cc2cccc(Br)c2)no1)[C@H]1CCOC1 ZINC000463228484 566392385 /nfs/dbraw/zinc/39/23/85/566392385.db2.gz BPGRYDTVYAICMV-HNNXBMFYSA-N 1 2 380.286 3.422 10 0 GGAELO CC(C)[N@@H+](Cc1nc(Cc2cccc(Br)c2)no1)[C@H]1CCOC1 ZINC000463228484 566392395 /nfs/dbraw/zinc/39/23/95/566392395.db2.gz BPGRYDTVYAICMV-HNNXBMFYSA-N 1 2 380.286 3.422 10 0 GGAELO CN(C)c1[nH+]cccc1CNS(=O)(=O)c1ccc(Cl)c2ccccc21 ZINC000447191055 566393410 /nfs/dbraw/zinc/39/34/10/566393410.db2.gz GZQFWKFFTACDBT-UHFFFAOYSA-N 1 2 375.881 3.433 10 0 GGAELO COc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cn1 ZINC000483595679 566393990 /nfs/dbraw/zinc/39/39/90/566393990.db2.gz SUXZMWZMGFYDNJ-UHFFFAOYSA-N 1 2 376.298 3.171 10 0 GGAELO CC[C@@H](CO)[NH+]1CCN(C(=O)c2cc3cc(Br)ccc3s2)CC1 ZINC000626209259 566394315 /nfs/dbraw/zinc/39/43/15/566394315.db2.gz MESVAHBGLZKETC-AWEZNQCLSA-N 1 2 397.338 3.193 10 0 GGAELO C[C@@H]1C[N@H+](CC(=O)N(C)Cc2cc(Br)cs2)C2(CCC2)CO1 ZINC000649823399 566395883 /nfs/dbraw/zinc/39/58/83/566395883.db2.gz DOMBBRNGHYZXPG-GFCCVEGCSA-N 1 2 387.343 3.112 10 0 GGAELO C[C@@H]1C[N@@H+](CC(=O)N(C)Cc2cc(Br)cs2)C2(CCC2)CO1 ZINC000649823399 566395889 /nfs/dbraw/zinc/39/58/89/566395889.db2.gz DOMBBRNGHYZXPG-GFCCVEGCSA-N 1 2 387.343 3.112 10 0 GGAELO CC(C)n1ncc2cc(C[NH2+][C@@H](C)c3ncc(Br)cn3)cnc21 ZINC000576999131 566397003 /nfs/dbraw/zinc/39/70/03/566397003.db2.gz TTWCHNZTQABHHI-NSHDSACASA-N 1 2 375.274 3.416 10 0 GGAELO Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@@H](C)Cc1cc(Br)ccc1F)CC2 ZINC000626265468 566397382 /nfs/dbraw/zinc/39/73/82/566397382.db2.gz SCYLTLOERWCQSJ-WCQYABFASA-N 1 2 394.288 3.403 10 0 GGAELO Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@H](C)Cc1cc(Br)ccc1F)CC2 ZINC000626265467 566397487 /nfs/dbraw/zinc/39/74/87/566397487.db2.gz SCYLTLOERWCQSJ-DGCLKSJQSA-N 1 2 394.288 3.403 10 0 GGAELO O=C(c1nscc1Br)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000649844983 566398742 /nfs/dbraw/zinc/39/87/42/566398742.db2.gz KUJWCOVCPUVBOS-UHFFFAOYSA-N 1 2 384.274 3.003 10 0 GGAELO CCC[C@H]([NH2+]Cc1nn(C)cc1I)c1cc(C)ccn1 ZINC000601278234 566398767 /nfs/dbraw/zinc/39/87/67/566398767.db2.gz CCUHKIVAVXFLMP-ZDUSSCGKSA-N 1 2 384.265 3.359 10 0 GGAELO CN(C)c1nc(N)nc(C[NH+]2CCC(c3cccc(Cl)c3Cl)CC2)n1 ZINC000463360434 566401823 /nfs/dbraw/zinc/40/18/23/566401823.db2.gz IMBCKIXVHZOJHX-UHFFFAOYSA-N 1 2 381.311 3.037 10 0 GGAELO Cc1nnc(C[NH2+][C@H](C)c2ccc(Br)cc2OCCCO)s1 ZINC000463357252 566402119 /nfs/dbraw/zinc/40/21/19/566402119.db2.gz AGDSZZSTPDYCAN-SNVBAGLBSA-N 1 2 386.315 3.221 10 0 GGAELO Cc1cn2c([nH+]1)C[C@H](C(=O)N(CCO)Cc1ccc(Cl)c(Cl)c1)CC2 ZINC000626328917 566402790 /nfs/dbraw/zinc/40/27/90/566402790.db2.gz LMMVCJNYIQOHPD-CQSZACIVSA-N 1 2 382.291 3.082 10 0 GGAELO Cc1cn2c([nH+]1)C[C@H](C(=O)N1Cc3cc(Br)ccc3C[C@@H]1C)CC2 ZINC000626323152 566403211 /nfs/dbraw/zinc/40/32/11/566403211.db2.gz UENMBTQYJOGBQL-DZGCQCFKSA-N 1 2 388.309 3.490 10 0 GGAELO CS(=O)(=O)c1ccc(-c2nc(C[N@@H+]3CC[C@@]4(CC4(F)F)C3)cs2)cc1 ZINC000649902484 566404471 /nfs/dbraw/zinc/40/44/71/566404471.db2.gz BGMXXWXQKCWOLM-MRXNPFEDSA-N 1 2 384.473 3.445 10 0 GGAELO CS(=O)(=O)c1ccc(-c2nc(C[N@H+]3CC[C@@]4(CC4(F)F)C3)cs2)cc1 ZINC000649902484 566404475 /nfs/dbraw/zinc/40/44/75/566404475.db2.gz BGMXXWXQKCWOLM-MRXNPFEDSA-N 1 2 384.473 3.445 10 0 GGAELO Cc1cnc(C[NH2+][C@H](C)c2ccc(Br)cc2OCCCO)nc1 ZINC000463374297 566405144 /nfs/dbraw/zinc/40/51/44/566405144.db2.gz GFUDBMOKIYYQIP-CYBMUJFWSA-N 1 2 380.286 3.160 10 0 GGAELO Cc1cn2c([nH+]1)C[C@@H](C(=O)NCCOCc1ccc(Cl)cc1Cl)CC2 ZINC000626371788 566405706 /nfs/dbraw/zinc/40/57/06/566405706.db2.gz DVYKBHWUUAIPKF-ZDUSSCGKSA-N 1 2 382.291 3.394 10 0 GGAELO CC[N@@H+]1CC[C@H](NC(=O)c2nn(C)cc2Cl)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000626359220 566405733 /nfs/dbraw/zinc/40/57/33/566405733.db2.gz UEARAEKNZZHKCC-HOCLYGCPSA-N 1 2 385.270 3.431 10 0 GGAELO CC[N@H+]1CC[C@H](NC(=O)c2nn(C)cc2Cl)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000626359220 566405739 /nfs/dbraw/zinc/40/57/39/566405739.db2.gz UEARAEKNZZHKCC-HOCLYGCPSA-N 1 2 385.270 3.431 10 0 GGAELO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)c2ncsc2Br)CC1 ZINC000557669696 566406342 /nfs/dbraw/zinc/40/63/42/566406342.db2.gz KUGKJORMWQOIIB-JTQLQIEISA-N 1 2 386.340 3.486 10 0 GGAELO Cc1c(Cl)c(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)nn1C ZINC000421789218 566408282 /nfs/dbraw/zinc/40/82/82/566408282.db2.gz ABMWNLMXMUIURJ-CJNGLKHVSA-N 1 2 385.270 3.350 10 0 GGAELO Cc1c(Cl)c(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)nn1C ZINC000421789218 566408286 /nfs/dbraw/zinc/40/82/86/566408286.db2.gz ABMWNLMXMUIURJ-CJNGLKHVSA-N 1 2 385.270 3.350 10 0 GGAELO C[N@@H+]1CCOC[C@@H]1CNC(=O)Nc1cc(Cl)ccc1SCC(F)(F)F ZINC000626399213 566408336 /nfs/dbraw/zinc/40/83/36/566408336.db2.gz SBTLWJNKYIRQDC-NSHDSACASA-N 1 2 397.850 3.447 10 0 GGAELO C[N@H+]1CCOC[C@@H]1CNC(=O)Nc1cc(Cl)ccc1SCC(F)(F)F ZINC000626399213 566408341 /nfs/dbraw/zinc/40/83/41/566408341.db2.gz SBTLWJNKYIRQDC-NSHDSACASA-N 1 2 397.850 3.447 10 0 GGAELO COCCN(Cc1sccc1Br)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000649958565 566409834 /nfs/dbraw/zinc/40/98/34/566409834.db2.gz IRBBSIBGEVHPKN-GFCCVEGCSA-N 1 2 386.315 3.333 10 0 GGAELO Cc1cn2c([nH+]1)C[C@H](C(=O)N1CCc3c(Br)ccc(F)c3C1)CC2 ZINC000626449709 566411737 /nfs/dbraw/zinc/41/17/37/566411737.db2.gz ASZDHDVLUSGHKE-GFCCVEGCSA-N 1 2 392.272 3.240 10 0 GGAELO COc1cc(C)c(Br)cc1NC(=O)[C@H]1CCn2cc(C)[nH+]c2C1 ZINC000626466723 566413043 /nfs/dbraw/zinc/41/30/43/566413043.db2.gz MUUQZPBPWKFFHS-LBPRGKRZSA-N 1 2 378.270 3.472 10 0 GGAELO O=C(Nc1cccc(Br)c1)C1CC[NH+](Cc2ncccn2)CC1 ZINC000484075182 566414752 /nfs/dbraw/zinc/41/47/52/566414752.db2.gz YTMHCAGFGFOCHG-UHFFFAOYSA-N 1 2 375.270 3.090 10 0 GGAELO Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CCc3c(Br)cc(C)cc3C1)CC2 ZINC000626520237 566419005 /nfs/dbraw/zinc/41/90/05/566419005.db2.gz UOBPUVCLZNUYPR-AWEZNQCLSA-N 1 2 388.309 3.410 10 0 GGAELO CCn1cc[nH+]c1[C@H](C)NC(=O)[C@H]1CCOc2ccc(Br)cc21 ZINC000650075398 566420258 /nfs/dbraw/zinc/42/02/58/566420258.db2.gz JDPFFLNILSREET-AAEUAGOBSA-N 1 2 378.270 3.409 10 0 GGAELO CCC(C)(C)NC(=O)CN(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510933348 566420552 /nfs/dbraw/zinc/42/05/52/566420552.db2.gz CTCXTMWYCSWYOB-UHFFFAOYSA-N 1 2 397.317 3.046 10 0 GGAELO C[NH+](C)Cc1csc(NC(=O)[C@H]2CCOc3ccc(Br)cc32)n1 ZINC000650087359 566421283 /nfs/dbraw/zinc/42/12/83/566421283.db2.gz CCTFQUKIIRMPOP-LBPRGKRZSA-N 1 2 396.310 3.472 10 0 GGAELO CC[NH+]1CCN(C(=O)[C@H](C)SCc2csc(Br)c2)CC1 ZINC000577319552 566424166 /nfs/dbraw/zinc/42/41/66/566424166.db2.gz WCPYCASESGRNKT-NSHDSACASA-N 1 2 377.373 3.296 10 0 GGAELO 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FC(F)Oc1ccc(C[N@@H+]2CCO[C@@]3(CCCOC3)C2)cc1Br ZINC000578175559 566499177 /nfs/dbraw/zinc/49/91/77/566499177.db2.gz NATHOSDMFFZCOF-INIZCTEOSA-N 1 2 392.240 3.432 10 0 GGAELO FC(F)Oc1ccc(C[N@H+]2CCO[C@@]3(CCCOC3)C2)cc1Br ZINC000578175559 566499185 /nfs/dbraw/zinc/49/91/85/566499185.db2.gz NATHOSDMFFZCOF-INIZCTEOSA-N 1 2 392.240 3.432 10 0 GGAELO CC[NH+](CC)CC1CCN(C(=O)c2cc(Br)c(F)cc2O)CC1 ZINC000448819869 566499514 /nfs/dbraw/zinc/49/95/14/566499514.db2.gz CWJLFVWKTOLXOZ-UHFFFAOYSA-N 1 2 387.293 3.488 10 0 GGAELO C[C@H](Cc1cccc(Br)c1)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651178870 566501063 /nfs/dbraw/zinc/50/10/63/566501063.db2.gz AYKZEWXBFCJRDP-CYBMUJFWSA-N 1 2 376.298 3.272 10 0 GGAELO Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CCC[C@@H]1c1ccc(Br)cn1)CC2 ZINC000627711984 566501391 /nfs/dbraw/zinc/50/13/91/566501391.db2.gz HKSKONYOSWZOLT-XJKSGUPXSA-N 1 2 389.297 3.275 10 0 GGAELO O=C(Cc1cn2c([nH+]1)CCCC2)NCCc1cc(Br)ccc1F ZINC000651183169 566501614 /nfs/dbraw/zinc/50/16/14/566501614.db2.gz 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O=C([C@@H]1CCOc2ccc(Br)cc21)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000651255172 566504072 /nfs/dbraw/zinc/50/40/72/566504072.db2.gz JKVYZWUBFZBSGY-HUUCEWRRSA-N 1 2 390.281 3.375 10 0 GGAELO O=C([C@H](c1ccc(Br)cc1)[NH+]1CCCC1)N1CCO[C@@H](C2CC2)C1 ZINC000485514994 566506436 /nfs/dbraw/zinc/50/64/36/566506436.db2.gz KOMQJPXBAHKMID-MSOLQXFVSA-N 1 2 393.325 3.223 10 0 GGAELO Cn1cc([C@@H]([NH2+]Cc2ncc(I)s2)C(C)(C)C)cn1 ZINC000512044230 566508393 /nfs/dbraw/zinc/50/83/93/566508393.db2.gz DIDDBORPVURBJC-GFCCVEGCSA-N 1 2 390.294 3.358 10 0 GGAELO Cn1c([C@@H]2CCCS2)nnc1N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000424095485 566510603 /nfs/dbraw/zinc/51/06/03/566510603.db2.gz WLPJEVLCJXHCOD-INIZCTEOSA-N 1 2 377.945 3.359 10 0 GGAELO Cn1c([C@@H]2CCCS2)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000424087858 566511070 /nfs/dbraw/zinc/51/10/70/566511070.db2.gz IQWNXDJFAUBVSD-INIZCTEOSA-N 1 2 377.945 3.359 10 0 GGAELO Cn1c([C@H]2CCCS2)nnc1N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000424096100 566511519 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ZINC000512122254 566515551 /nfs/dbraw/zinc/51/55/51/566515551.db2.gz KOSMTIQGIRYQGI-UHFFFAOYSA-N 1 2 396.257 3.223 10 0 GGAELO O=C(NC1CC([NH+]2CCOCC2)C1)c1cc2cc(Br)ccc2s1 ZINC000627942711 566519453 /nfs/dbraw/zinc/51/94/53/566519453.db2.gz GTBYSMJTWPOKEW-UHFFFAOYSA-N 1 2 395.322 3.257 10 0 GGAELO O=S1(=O)CC[C@@H]([N@H+](Cc2cnc(-c3c(F)cccc3F)s2)C2CC2)C1 ZINC000449012417 566520193 /nfs/dbraw/zinc/52/01/93/566520193.db2.gz CFJDVQBJHRMAKZ-GFCCVEGCSA-N 1 2 384.473 3.240 10 0 GGAELO O=S1(=O)CC[C@@H]([N@@H+](Cc2cnc(-c3c(F)cccc3F)s2)C2CC2)C1 ZINC000449012417 566520199 /nfs/dbraw/zinc/52/01/99/566520199.db2.gz CFJDVQBJHRMAKZ-GFCCVEGCSA-N 1 2 384.473 3.240 10 0 GGAELO CCC[N@H+](Cc1cnc(-c2c(F)cccc2F)s1)[C@H]1CCS(=O)(=O)C1 ZINC000449006634 566520389 /nfs/dbraw/zinc/52/03/89/566520389.db2.gz HLBOOGWQLHITEW-LBPRGKRZSA-N 1 2 386.489 3.487 10 0 GGAELO CCC[N@@H+](Cc1cnc(-c2c(F)cccc2F)s1)[C@H]1CCS(=O)(=O)C1 ZINC000449006634 566520398 /nfs/dbraw/zinc/52/03/98/566520398.db2.gz HLBOOGWQLHITEW-LBPRGKRZSA-N 1 2 386.489 3.487 10 0 GGAELO Cc1cc(Br)cn2cc(CNC(=O)N[C@@H]3CCCC3(F)F)[nH+]c12 ZINC000673017579 566521122 /nfs/dbraw/zinc/52/11/22/566521122.db2.gz SQOPDWARZKHZED-GFCCVEGCSA-N 1 2 387.228 3.392 10 0 GGAELO O[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccnc3c(Br)cccc23)C1 ZINC000449026810 566521165 /nfs/dbraw/zinc/52/11/65/566521165.db2.gz GSANYZPHKMCKBG-AWEZNQCLSA-N 1 2 375.188 3.496 10 0 GGAELO O[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccnc3c(Br)cccc23)C1 ZINC000449026810 566521173 /nfs/dbraw/zinc/52/11/73/566521173.db2.gz GSANYZPHKMCKBG-AWEZNQCLSA-N 1 2 375.188 3.496 10 0 GGAELO COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1C[N@H+](C)[C@H]1CCOC1 ZINC000449023923 566521340 /nfs/dbraw/zinc/52/13/40/566521340.db2.gz WJBYHRUTEDAURD-ZDUSSCGKSA-N 1 2 384.263 3.186 10 0 GGAELO COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1C[N@@H+](C)[C@H]1CCOC1 ZINC000449023923 566521345 /nfs/dbraw/zinc/52/13/45/566521345.db2.gz WJBYHRUTEDAURD-ZDUSSCGKSA-N 1 2 384.263 3.186 10 0 GGAELO O=C(c1cc2sc(N3CCCC3)nc2s1)N1CC[NH+](CCCF)CC1 ZINC000627961856 566521525 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CCc1ccc(C[NH+]2CCN(C(=O)c3ccc(Br)cc3)CC2)nc1 ZINC000559070844 566522628 /nfs/dbraw/zinc/52/26/28/566522628.db2.gz HCSBNGUHZFVDFM-UHFFFAOYSA-N 1 2 388.309 3.365 10 0 GGAELO C[C@@H](CS(C)(=O)=O)[N@H+](Cc1cnc(-c2c(F)cccc2F)s1)C1CC1 ZINC000449034978 566522960 /nfs/dbraw/zinc/52/29/60/566522960.db2.gz LVFACSUHTHBNLE-NSHDSACASA-N 1 2 386.489 3.486 10 0 GGAELO C[C@@H](CS(C)(=O)=O)[N@@H+](Cc1cnc(-c2c(F)cccc2F)s1)C1CC1 ZINC000449034978 566522969 /nfs/dbraw/zinc/52/29/69/566522969.db2.gz LVFACSUHTHBNLE-NSHDSACASA-N 1 2 386.489 3.486 10 0 GGAELO O=C(Nc1nccs1)[C@H]1CCC[N@H+]1CCOc1cccc(Br)c1 ZINC000512277244 566522891 /nfs/dbraw/zinc/52/28/91/566522891.db2.gz GCIXWAPDDYTAKW-CQSZACIVSA-N 1 2 396.310 3.388 10 0 GGAELO O=C(Nc1nccs1)[C@H]1CCC[N@@H+]1CCOc1cccc(Br)c1 ZINC000512277244 566522898 /nfs/dbraw/zinc/52/28/98/566522898.db2.gz GCIXWAPDDYTAKW-CQSZACIVSA-N 1 2 396.310 3.388 10 0 GGAELO Cc1cc[nH+]cc1N1CCN(C(=O)Cc2cscc2Br)CC1 ZINC000512278894 566523436 /nfs/dbraw/zinc/52/34/36/566523436.db2.gz 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566570109 /nfs/dbraw/zinc/57/01/09/566570109.db2.gz VSOMHIGKNKJWGJ-UHFFFAOYSA-N 1 2 383.319 3.008 10 0 GGAELO COc1cc(Br)ccc1[C@@H](C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651864328 566570085 /nfs/dbraw/zinc/57/00/85/566570085.db2.gz PWYBEOKJNQQILK-GFCCVEGCSA-N 1 2 392.297 3.410 10 0 GGAELO CC1(C[NH+]2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)CCC1 ZINC000559791253 566571272 /nfs/dbraw/zinc/57/12/72/566571272.db2.gz OPKCMWQNWMVVMP-UHFFFAOYSA-N 1 2 393.372 3.007 10 0 GGAELO C[C@@H]([NH2+][C@H](C)c1ncc(Br)cn1)c1cccc(NS(C)(=O)=O)c1 ZINC000559861683 566572188 /nfs/dbraw/zinc/57/21/88/566572188.db2.gz CJXUEOAMNLRRQX-GHMZBOCLSA-N 1 2 399.314 3.022 10 0 GGAELO C[C@@H]([NH2+][C@@H](C)c1ncc(Br)cn1)c1cccc(NS(C)(=O)=O)c1 ZINC000559861685 566572493 /nfs/dbraw/zinc/57/24/93/566572493.db2.gz CJXUEOAMNLRRQX-MNOVXSKESA-N 1 2 399.314 3.022 10 0 GGAELO COc1nc(C)c(Br)cc1C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000486250276 566573044 /nfs/dbraw/zinc/57/30/44/566573044.db2.gz BPTHRNGXGDGUTE-UHFFFAOYSA-N 1 2 375.226 3.370 10 0 GGAELO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+][C@@H](c1ccccc1F)[C@H](C)O ZINC000651892223 566572980 /nfs/dbraw/zinc/57/29/80/566572980.db2.gz LEMWGCDRJIXGRV-YVEFUNNKSA-N 1 2 385.888 3.484 10 0 GGAELO C[C@H]([NH2+][C@@H](C)c1ncc(Br)cn1)c1ccc(C(=O)N(C)C)cc1 ZINC000559862355 566573189 /nfs/dbraw/zinc/57/31/89/566573189.db2.gz KXBKFYAKMIODNZ-RYUDHWBXSA-N 1 2 377.286 3.353 10 0 GGAELO C[C@H](C(=O)N1CC2(CC2)c2ccc(Br)cc21)[NH+]1CCSCC1 ZINC000628658511 566573185 /nfs/dbraw/zinc/57/31/85/566573185.db2.gz SMPURKLVEZMGFX-GFCCVEGCSA-N 1 2 381.339 3.265 10 0 GGAELO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+][C@H](c1ccccc1F)[C@H](C)O ZINC000651892221 566573280 /nfs/dbraw/zinc/57/32/80/566573280.db2.gz LEMWGCDRJIXGRV-SJCJKPOMSA-N 1 2 385.888 3.484 10 0 GGAELO C[C@@H]([NH2+][C@H](C)c1ncc(Br)cn1)c1ccc(C(=O)N(C)C)cc1 ZINC000559862357 566573397 /nfs/dbraw/zinc/57/33/97/566573397.db2.gz KXBKFYAKMIODNZ-VXGBXAGGSA-N 1 2 377.286 3.353 10 0 GGAELO COc1cc(Br)ccc1C[N@@H+]1CCn2c(CC3CC3)nnc2C1 ZINC000651898619 566575198 /nfs/dbraw/zinc/57/51/98/566575198.db2.gz QJSWCMHUTXRGSG-UHFFFAOYSA-N 1 2 377.286 3.018 10 0 GGAELO COc1cc(Br)ccc1C[N@H+]1CCn2c(CC3CC3)nnc2C1 ZINC000651898619 566575203 /nfs/dbraw/zinc/57/52/03/566575203.db2.gz QJSWCMHUTXRGSG-UHFFFAOYSA-N 1 2 377.286 3.018 10 0 GGAELO Cc1cc(Br)cc2c1C[N@H+](Cc1cc(=O)n3ccccc3n1)CC2 ZINC000539377047 566576818 /nfs/dbraw/zinc/57/68/18/566576818.db2.gz PJFKFVLHWICDPT-UHFFFAOYSA-N 1 2 384.277 3.324 10 0 GGAELO Cc1cc(Br)cc2c1C[N@@H+](Cc1cc(=O)n3ccccc3n1)CC2 ZINC000539377047 566576824 /nfs/dbraw/zinc/57/68/24/566576824.db2.gz PJFKFVLHWICDPT-UHFFFAOYSA-N 1 2 384.277 3.324 10 0 GGAELO C[C@H]1C[C@H]1c1noc(CC2CC[NH+](Cc3c(Br)cnn3C)CC2)n1 ZINC000651954270 566579447 /nfs/dbraw/zinc/57/94/47/566579447.db2.gz IMTFQOZVDPMHAP-WCQYABFASA-N 1 2 394.317 3.144 10 0 GGAELO Cc1nc(N2CCC[C@H]2c2cc(F)cc(Br)c2)nc(N(C)C)[nH+]1 ZINC000466500463 566579928 /nfs/dbraw/zinc/57/99/28/566579928.db2.gz VFXGQYNADRMVKV-AWEZNQCLSA-N 1 2 380.265 3.489 10 0 GGAELO Cc1nc(N(C)C)nc(N2CCC[C@H]2c2cc(F)cc(Br)c2)[nH+]1 ZINC000466500463 566579938 /nfs/dbraw/zinc/57/99/38/566579938.db2.gz VFXGQYNADRMVKV-AWEZNQCLSA-N 1 2 380.265 3.489 10 0 GGAELO CCOCc1nc([C@H](C)[NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)no1 ZINC000579113161 566581775 /nfs/dbraw/zinc/58/17/75/566581775.db2.gz FRHKNAMRDQTERC-WDEREUQCSA-N 1 2 390.267 3.003 10 0 GGAELO CCOCc1nc([C@H](C)[NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)no1 ZINC000579113159 566582138 /nfs/dbraw/zinc/58/21/38/566582138.db2.gz FRHKNAMRDQTERC-QWRGUYRKSA-N 1 2 390.267 3.003 10 0 GGAELO CCCn1ncnc1C[NH2+][C@](C)(CC(=O)OC)c1ccc(Br)cc1 ZINC000513139419 566583279 /nfs/dbraw/zinc/58/32/79/566583279.db2.gz RAQPXSQYKQEXIX-QGZVFWFLSA-N 1 2 395.301 3.019 10 0 GGAELO COC(=O)C[C@@](C)([NH2+]Cc1nc(C2CC2)no1)c1ccc(Br)cc1 ZINC000513143370 566583484 /nfs/dbraw/zinc/58/34/84/566583484.db2.gz CINFLDMNZYYJNF-QGZVFWFLSA-N 1 2 394.269 3.278 10 0 GGAELO COC(=O)C[C@](C)([NH2+]Cc1nc(C2CC2)no1)c1ccc(Br)cc1 ZINC000513143368 566584034 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ZINC000674342176 566587109 /nfs/dbraw/zinc/58/71/09/566587109.db2.gz BJQOFIOKODZMEK-LLVKDONJSA-N 1 2 390.328 3.041 10 0 GGAELO O[C@H]([C@@H]1CC[N@H+](Cc2cn(-c3ccc(Cl)cc3Cl)nn2)C1)C(F)(F)F ZINC000449672340 566587283 /nfs/dbraw/zinc/58/72/83/566587283.db2.gz MLOLBCSHOWJFRD-YMTOWFKASA-N 1 2 395.212 3.319 10 0 GGAELO O[C@H]([C@@H]1CC[N@@H+](Cc2cn(-c3ccc(Cl)cc3Cl)nn2)C1)C(F)(F)F ZINC000449672340 566587289 /nfs/dbraw/zinc/58/72/89/566587289.db2.gz MLOLBCSHOWJFRD-YMTOWFKASA-N 1 2 395.212 3.319 10 0 GGAELO O[C@@H]([C@H]1CC[N@H+](Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)C1)C(F)(F)F ZINC000449668881 566587455 /nfs/dbraw/zinc/58/74/55/566587455.db2.gz GZNCSTLHUWPEAE-XPTSAGLGSA-N 1 2 395.212 3.319 10 0 GGAELO O[C@@H]([C@H]1CC[N@@H+](Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)C1)C(F)(F)F ZINC000449668881 566587461 /nfs/dbraw/zinc/58/74/61/566587461.db2.gz GZNCSTLHUWPEAE-XPTSAGLGSA-N 1 2 395.212 3.319 10 0 GGAELO CC1(C)C[N@H+](CC2=Cc3cc(Br)ccc3OC2)[C@@H]2COC[C@H]2O1 ZINC000652064919 566587716 /nfs/dbraw/zinc/58/77/16/566587716.db2.gz FFGHZGGIGKTEGQ-NVXWUHKLSA-N 1 2 380.282 3.103 10 0 GGAELO CC1(C)C[N@@H+](CC2=Cc3cc(Br)ccc3OC2)[C@@H]2COC[C@H]2O1 ZINC000652064919 566587722 /nfs/dbraw/zinc/58/77/22/566587722.db2.gz FFGHZGGIGKTEGQ-NVXWUHKLSA-N 1 2 380.282 3.103 10 0 GGAELO O[C@H]([C@H]1CC[N@H+](Cc2ccc(I)cc2)C1)C(F)(F)F ZINC000449669313 566587704 /nfs/dbraw/zinc/58/77/04/566587704.db2.gz HRHYHZUHCGWUQC-CMPLNLGQSA-N 1 2 385.167 3.036 10 0 GGAELO O[C@H]([C@H]1CC[N@@H+](Cc2ccc(I)cc2)C1)C(F)(F)F ZINC000449669313 566587707 /nfs/dbraw/zinc/58/77/07/566587707.db2.gz HRHYHZUHCGWUQC-CMPLNLGQSA-N 1 2 385.167 3.036 10 0 GGAELO Cc1cc[nH+]cc1N1CCN(C(=O)Cc2ccc(Br)s2)CC1 ZINC000466599955 566588839 /nfs/dbraw/zinc/58/88/39/566588839.db2.gz IPVHYQMRYARWOD-UHFFFAOYSA-N 1 2 380.311 3.105 10 0 GGAELO O[C@H]([C@@H]1CC[N@H+](Cc2cn(-c3cccc(Cl)c3Cl)nn2)C1)C(F)(F)F ZINC000449674464 566589110 /nfs/dbraw/zinc/58/91/10/566589110.db2.gz UWVOGJHSXBCVGM-YMTOWFKASA-N 1 2 395.212 3.319 10 0 GGAELO O[C@H]([C@@H]1CC[N@@H+](Cc2cn(-c3cccc(Cl)c3Cl)nn2)C1)C(F)(F)F ZINC000449674464 566589116 /nfs/dbraw/zinc/58/91/16/566589116.db2.gz UWVOGJHSXBCVGM-YMTOWFKASA-N 1 2 395.212 3.319 10 0 GGAELO CCn1c(CNC(=O)C[C@H](C)n2cc[nH+]c2)nc2cc(Br)ccc21 ZINC000579236673 566591284 /nfs/dbraw/zinc/59/12/84/566591284.db2.gz GDIMISLHXFEYCJ-LBPRGKRZSA-N 1 2 390.285 3.283 10 0 GGAELO Nc1ccc(SCC(=O)N2CC[NH+](Cc3cccs3)CC2)c(Cl)c1 ZINC000513305796 566594328 /nfs/dbraw/zinc/59/43/28/566594328.db2.gz ZDGPTKKGZSFJKS-UHFFFAOYSA-N 1 2 381.954 3.420 10 0 GGAELO Cc1cn2c([nH+]1)C[C@H](C(=O)NCc1cc(F)c(Br)cc1F)CC2 ZINC000628892800 566594833 /nfs/dbraw/zinc/59/48/33/566594833.db2.gz GBFMMARRELTKRZ-SNVBAGLBSA-N 1 2 384.224 3.111 10 0 GGAELO O=C(Cc1cn2c([nH+]1)CCCC2)NCc1ccc(Br)c(F)c1F ZINC000628894132 566595731 /nfs/dbraw/zinc/59/57/31/566595731.db2.gz MYGQJQKBOMBYOQ-UHFFFAOYSA-N 1 2 384.224 3.119 10 0 GGAELO CC[N@@H+]1CC[C@@H](NS(=O)(=O)N(C)CC(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539757634 566600118 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CC[N@@H+](Cc1cn(C)nn1)Cc1cc(Br)cc(Br)c1 ZINC000561953867 566752287 /nfs/dbraw/zinc/75/22/87/566752287.db2.gz AQFBUDNKVOFAJT-UHFFFAOYSA-N 1 2 388.107 3.362 10 0 GGAELO CCc1ccc(C[NH+]2CCN(C(=O)c3scc4c3OCCO4)CC2)s1 ZINC000654817247 566756499 /nfs/dbraw/zinc/75/64/99/566756499.db2.gz ONOVIUGDFLUUPN-UHFFFAOYSA-N 1 2 378.519 3.101 10 0 GGAELO COc1c(C)c[nH+]c(CN(C)C(=O)c2c(F)cncc2Br)c1C ZINC000630854144 566758504 /nfs/dbraw/zinc/75/85/04/566758504.db2.gz BJHYAWBPAQIQPK-UHFFFAOYSA-N 1 2 382.233 3.276 10 0 GGAELO CN(C)c1[nH+]cccc1CNc1ccc(Br)c(C(F)(F)F)n1 ZINC000581208249 566758555 /nfs/dbraw/zinc/75/85/55/566758555.db2.gz MXWYWIWJROHNJC-UHFFFAOYSA-N 1 2 375.192 3.358 10 0 GGAELO C[C@H](NC(=O)C[NH+]1CC(C)(C)C1)c1nc(-c2ccc(Br)cc2)no1 ZINC000654900796 566761738 /nfs/dbraw/zinc/76/17/38/566761738.db2.gz QYFXGGIMRMNYIX-NSHDSACASA-N 1 2 393.285 3.018 10 0 GGAELO CN(Cc1cc(Br)cs1)C(=O)C[NH+]1CC2(C1)CC(F)(F)C2 ZINC000677735161 566761918 /nfs/dbraw/zinc/76/19/18/566761918.db2.gz 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C[C@@H]1CC[C@@]2(CC[N@@H+](Cc3nnnn3-c3ccccc3Br)C2)C1 ZINC000516504298 566766410 /nfs/dbraw/zinc/76/64/10/566766410.db2.gz LFGUIMJXDQCZLJ-CXAGYDPISA-N 1 2 376.302 3.437 10 0 GGAELO C[N@@H+]1CC[C@@H](NC(=O)c2scc3c2OCCO3)[C@H]1c1ccc(Cl)cc1 ZINC000654969735 566768674 /nfs/dbraw/zinc/76/86/74/566768674.db2.gz FTUORZIFBDTPHW-UKRRQHHQSA-N 1 2 378.881 3.348 10 0 GGAELO C[N@H+]1CC[C@@H](NC(=O)c2scc3c2OCCO3)[C@H]1c1ccc(Cl)cc1 ZINC000654969735 566768681 /nfs/dbraw/zinc/76/86/81/566768681.db2.gz FTUORZIFBDTPHW-UKRRQHHQSA-N 1 2 378.881 3.348 10 0 GGAELO Clc1cc(Br)cnc1C[NH2+]Cc1ccnc(N2CCOCC2)c1 ZINC000631039412 566772449 /nfs/dbraw/zinc/77/24/49/566772449.db2.gz JFLGOENDHULBEA-UHFFFAOYSA-N 1 2 397.704 3.019 10 0 GGAELO CO[C@@H](C)[C@@H](C)NC(=O)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000516611168 566772547 /nfs/dbraw/zinc/77/25/47/566772547.db2.gz HCVLAOFQMAMJIX-KGLIPLIRSA-N 1 2 388.339 3.287 10 0 GGAELO O=C(C[N@@H+](Cc1csc(Br)c1)C1CC1)N1CCOC[C@H]1C1CC1 ZINC000677990003 566773067 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O=C(C[N@H+]1CCC[C@H]1c1ccc(Br)cc1)N1CCOC[C@H]1C1CC1 ZINC000677980538 566774378 /nfs/dbraw/zinc/77/43/78/566774378.db2.gz FAEMRDVSLFBPPI-ROUUACIJSA-N 1 2 393.325 3.223 10 0 GGAELO O=C(C[N@@H+]1CCC[C@H]1c1ccc(Br)cc1)N1CCOC[C@H]1C1CC1 ZINC000677980538 566774382 /nfs/dbraw/zinc/77/43/82/566774382.db2.gz FAEMRDVSLFBPPI-ROUUACIJSA-N 1 2 393.325 3.223 10 0 GGAELO Brc1ccc(Cc2nc(C[N@@H+]3CCC[C@@]4(CCOC4)C3)no2)cc1 ZINC000581410809 566775436 /nfs/dbraw/zinc/77/54/36/566775436.db2.gz BWBPUORIZIEJAM-GOSISDBHSA-N 1 2 392.297 3.425 10 0 GGAELO Brc1ccc(Cc2nc(C[N@H+]3CCC[C@@]4(CCOC4)C3)no2)cc1 ZINC000581410809 566775442 /nfs/dbraw/zinc/77/54/42/566775442.db2.gz BWBPUORIZIEJAM-GOSISDBHSA-N 1 2 392.297 3.425 10 0 GGAELO Cc1oc(-c2ccsc2)nc1C[NH2+][C@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000542135045 566776396 /nfs/dbraw/zinc/77/63/96/566776396.db2.gz XDVSCHQPRUDODO-LLVKDONJSA-N 1 2 377.491 3.210 10 0 GGAELO Cc1oc(-c2ccsc2)nc1C[NH2+][C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000542135047 566776809 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CCCCNC(=O)NC(=O)C[N@H+]1CCC[C@H]1c1ccc(Br)s1 ZINC000542317434 566793889 /nfs/dbraw/zinc/79/38/89/566793889.db2.gz XQONRKFGOFFPET-NSHDSACASA-N 1 2 388.331 3.273 10 0 GGAELO COCCN(Cc1ccc(Br)s1)C(=O)c1ccc2[nH+]ccn2c1 ZINC000427763613 566796588 /nfs/dbraw/zinc/79/65/88/566796588.db2.gz ROROIDZQKTWICZ-UHFFFAOYSA-N 1 2 394.294 3.447 10 0 GGAELO Clc1ccc(-n2cc(C[N@@H+]3CCC[C@H](n4ccnn4)C3)nn2)c(Cl)c1 ZINC000516966144 566796769 /nfs/dbraw/zinc/79/67/69/566796769.db2.gz BPTKQPAVDKEEMF-AWEZNQCLSA-N 1 2 378.267 3.003 10 0 GGAELO Clc1ccc(-n2cc(C[N@H+]3CCC[C@H](n4ccnn4)C3)nn2)c(Cl)c1 ZINC000516966144 566796774 /nfs/dbraw/zinc/79/67/74/566796774.db2.gz BPTKQPAVDKEEMF-AWEZNQCLSA-N 1 2 378.267 3.003 10 0 GGAELO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1n[nH]c2ccc(Br)cc21 ZINC000655349299 566797213 /nfs/dbraw/zinc/79/72/13/566797213.db2.gz FRABAWRHCVWOKJ-CABCVRRESA-N 1 2 377.286 3.072 10 0 GGAELO O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1n[nH]c2ccc(Br)cc21 ZINC000655349299 566797217 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Cn1cc[nH+]c1CN1CCN(Cc2ccc(Br)c(Cl)c2)CC1 ZINC000469583930 566800768 /nfs/dbraw/zinc/80/07/68/566800768.db2.gz ACEOVJOJZUWMIJ-UHFFFAOYSA-N 1 2 383.721 3.154 10 0 GGAELO NC(=O)[C@H](c1ccc(Br)cc1F)[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451347717 566800786 /nfs/dbraw/zinc/80/07/86/566800786.db2.gz UQTGIIAZEBGMSK-ORQFMDKSSA-N 1 2 399.304 3.130 10 0 GGAELO NC(=O)[C@H](c1ccc(Br)cc1F)[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451347717 566800793 /nfs/dbraw/zinc/80/07/93/566800793.db2.gz UQTGIIAZEBGMSK-ORQFMDKSSA-N 1 2 399.304 3.130 10 0 GGAELO C[N@@H+]1CC[C@@H](NS(=O)(=O)CC2CC(F)(F)C2)[C@H]1c1ccc(Cl)cc1 ZINC000451352563 566801823 /nfs/dbraw/zinc/80/18/23/566801823.db2.gz HVQRTTJNDOZEOG-HUUCEWRRSA-N 1 2 378.872 3.050 10 0 GGAELO C[N@H+]1CC[C@@H](NS(=O)(=O)CC2CC(F)(F)C2)[C@H]1c1ccc(Cl)cc1 ZINC000451352563 566801828 /nfs/dbraw/zinc/80/18/28/566801828.db2.gz HVQRTTJNDOZEOG-HUUCEWRRSA-N 1 2 378.872 3.050 10 0 GGAELO C[N@@H+]1CC[C@H](NS(=O)(=O)C[C@H]2CCCC2(F)F)[C@@H]1c1ccc(Cl)cc1 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FQKQZOFQXCNTBM-GFCCVEGCSA-N 1 2 391.313 3.307 10 0 GGAELO CC(C)(CNC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)c1ccccc1Br ZINC000518850430 566906913 /nfs/dbraw/zinc/90/69/13/566906913.db2.gz FQKQZOFQXCNTBM-GFCCVEGCSA-N 1 2 391.313 3.307 10 0 GGAELO CCCn1cc[nH+]c1CCCN(C)C(=O)c1c(C)c(Br)c[nH]c1=O ZINC000632760491 566910382 /nfs/dbraw/zinc/91/03/82/566910382.db2.gz DRRNJPCDOAVLHY-UHFFFAOYSA-N 1 2 395.301 3.169 10 0 GGAELO Cc1cc(Br)cn2cc(CCNC(=O)N3CC(C(C)C)C3)[nH+]c12 ZINC000680519034 566915021 /nfs/dbraw/zinc/91/50/21/566915021.db2.gz HCXOTFDPVAGMBD-UHFFFAOYSA-N 1 2 379.302 3.245 10 0 GGAELO C[C@@H](Cn1cc[nH+]c1)NC(=O)NCC1(Cc2ccc(Br)cc2)CC1 ZINC000656550224 566915645 /nfs/dbraw/zinc/91/56/45/566915645.db2.gz SICLWDXALXHEIQ-AWEZNQCLSA-N 1 2 391.313 3.356 10 0 GGAELO CCOC(=O)c1cc(C)sc1NC(=O)C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000470939058 566916074 /nfs/dbraw/zinc/91/60/74/566916074.db2.gz BOVAOSIBVXLKCG-CMPLNLGQSA-N 1 2 378.416 3.444 10 0 GGAELO CCOC(=O)c1cc(C)sc1NC(=O)C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000470939058 566916075 /nfs/dbraw/zinc/91/60/75/566916075.db2.gz BOVAOSIBVXLKCG-CMPLNLGQSA-N 1 2 378.416 3.444 10 0 GGAELO COC(=O)c1c(C)c(C)sc1NC(=O)C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000470959094 566918843 /nfs/dbraw/zinc/91/88/43/566918843.db2.gz KMDYNKSLVOFHPN-ONGXEEELSA-N 1 2 378.416 3.363 10 0 GGAELO COC(=O)c1c(C)c(C)sc1NC(=O)C[N@H+]1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000470959094 566918847 /nfs/dbraw/zinc/91/88/47/566918847.db2.gz KMDYNKSLVOFHPN-ONGXEEELSA-N 1 2 378.416 3.363 10 0 GGAELO COc1cc(Br)c(C[NH+]2CCN(c3ccccc3)CC2)cc1O ZINC000491903017 566919377 /nfs/dbraw/zinc/91/93/77/566919377.db2.gz UGKFBFACQHFYGH-UHFFFAOYSA-N 1 2 377.282 3.486 10 0 GGAELO CCc1cc(NC(=O)NCc2cn3cc(Br)cc(C)c3[nH+]2)no1 ZINC000680590894 566921012 /nfs/dbraw/zinc/92/10/12/566921012.db2.gz MNLYZSLYPMYSCS-UHFFFAOYSA-N 1 2 378.230 3.277 10 0 GGAELO Cc1cc(Br)cn2cc(CNC(=O)N3CC[C@@H](C)[C@H](F)C3)[nH+]c12 ZINC000680613897 566921074 /nfs/dbraw/zinc/92/10/74/566921074.db2.gz ITYXTYMBLQETRV-QMTHXVAHSA-N 1 2 383.265 3.295 10 0 GGAELO C[C@@H](C(=O)Nc1cccc(I)c1)[N@@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000611502658 566922312 /nfs/dbraw/zinc/92/23/12/566922312.db2.gz WTHPCZUWCXLEPX-UHIISALHSA-N 1 2 390.240 3.298 10 0 GGAELO C[C@@H](C(=O)Nc1cccc(I)c1)[N@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000611502658 566922319 /nfs/dbraw/zinc/92/23/19/566922319.db2.gz WTHPCZUWCXLEPX-UHIISALHSA-N 1 2 390.240 3.298 10 0 GGAELO O=C(NCCCCn1cc[nH+]c1)N[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000632913620 566922504 /nfs/dbraw/zinc/92/25/04/566922504.db2.gz QQNMBQPVJBSUOB-HYVNUMGLSA-N 1 2 389.297 3.063 10 0 GGAELO C[C@@H](C(=O)Nc1ccc(I)cc1)[N@@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000611501853 566922478 /nfs/dbraw/zinc/92/24/78/566922478.db2.gz JIEVPFWKCZYIHG-UHIISALHSA-N 1 2 390.240 3.298 10 0 GGAELO C[C@@H](C(=O)Nc1ccc(I)cc1)[N@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000611501853 566922482 /nfs/dbraw/zinc/92/24/82/566922482.db2.gz JIEVPFWKCZYIHG-UHIISALHSA-N 1 2 390.240 3.298 10 0 GGAELO O=C(CC1CSC1)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000633011546 566929216 /nfs/dbraw/zinc/92/92/16/566929216.db2.gz SUPUYOUICBVJFP-UHFFFAOYSA-N 1 2 384.299 3.021 10 0 GGAELO Brc1cnn(CCc2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)c1 ZINC000680749964 566929575 /nfs/dbraw/zinc/92/95/75/566929575.db2.gz QOZCTTFHKWBOMA-UHFFFAOYSA-N 1 2 385.225 3.124 10 0 GGAELO Cc1ccnc(C(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)n1 ZINC000471113376 566929398 /nfs/dbraw/zinc/92/93/98/566929398.db2.gz RTDNZCPEBSIOQP-UHFFFAOYSA-N 1 2 379.291 3.486 10 0 GGAELO C[C@H](O)CNc1[nH+]c2ccccc2n1Cc1cc(Br)ccc1F ZINC000519286438 566931393 /nfs/dbraw/zinc/93/13/93/566931393.db2.gz ZWWLTUVLMJLIQS-NSHDSACASA-N 1 2 378.245 3.201 10 0 GGAELO CCOc1cccc(C[S@@](=O)Cc2cn3cc(Br)ccc3[nH+]2)n1 ZINC000544046339 566931710 /nfs/dbraw/zinc/93/17/10/566931710.db2.gz OMECPYWBFOPQJM-HSZRJFAPSA-N 1 2 394.294 3.339 10 0 GGAELO O=C(Nc1ccc(Br)c(C2CC2)n1)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000519325312 566932707 /nfs/dbraw/zinc/93/27/07/566932707.db2.gz AKYLBSGCPLGATP-SNVBAGLBSA-N 1 2 376.258 3.124 10 0 GGAELO O=C(Nc1ccc(Br)c(C2CC2)n1)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000519325312 566932712 /nfs/dbraw/zinc/93/27/12/566932712.db2.gz AKYLBSGCPLGATP-SNVBAGLBSA-N 1 2 376.258 3.124 10 0 GGAELO NC(=O)[C@@H]([NH2+][C@H]1C[C@H](Oc2ccccc2)C1)c1ccc(Br)cc1F ZINC000656685242 566934306 /nfs/dbraw/zinc/93/43/06/566934306.db2.gz NOPXKWQCJXDEOK-JDFRZJQESA-N 1 2 393.256 3.314 10 0 GGAELO O=C(C[N@H+]1CCCC[C@H]1C1(O)CC1)Nc1ccc(Br)cc1Cl ZINC000656693901 566934379 /nfs/dbraw/zinc/93/43/79/566934379.db2.gz XGGBOUNOIHQVIB-AWEZNQCLSA-N 1 2 387.705 3.420 10 0 GGAELO O=C(C[N@@H+]1CCCC[C@H]1C1(O)CC1)Nc1ccc(Br)cc1Cl ZINC000656693901 566934385 /nfs/dbraw/zinc/93/43/85/566934385.db2.gz XGGBOUNOIHQVIB-AWEZNQCLSA-N 1 2 387.705 3.420 10 0 GGAELO CCn1nccc1CC[N@H+](C)[C@@H](C(=O)OC)c1cccc(Br)c1 ZINC000583275672 566935730 /nfs/dbraw/zinc/93/57/30/566935730.db2.gz QXSVSPKVTGNPBT-MRXNPFEDSA-N 1 2 380.286 3.054 10 0 GGAELO CCn1nccc1CC[N@@H+](C)[C@@H](C(=O)OC)c1cccc(Br)c1 ZINC000583275672 566935736 /nfs/dbraw/zinc/93/57/36/566935736.db2.gz QXSVSPKVTGNPBT-MRXNPFEDSA-N 1 2 380.286 3.054 10 0 GGAELO O=C(Nc1cc(Br)ccc1NC1CC1)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000611752204 566936897 /nfs/dbraw/zinc/93/68/97/566936897.db2.gz VRYMNYQSEZMKTC-SNVBAGLBSA-N 1 2 375.270 3.490 10 0 GGAELO O=C(Nc1cc(Br)ccc1NC1CC1)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000611752204 566936905 /nfs/dbraw/zinc/93/69/05/566936905.db2.gz VRYMNYQSEZMKTC-SNVBAGLBSA-N 1 2 375.270 3.490 10 0 GGAELO COC(=O)[C@H](c1cc(Cl)cc(Cl)c1)[N@H+](C)CCCNC(=O)C1CCC1 ZINC000429556811 566937466 /nfs/dbraw/zinc/93/74/66/566937466.db2.gz PWGXDSKNHXGYAX-INIZCTEOSA-N 1 2 387.307 3.446 10 0 GGAELO COC(=O)[C@H](c1cc(Cl)cc(Cl)c1)[N@@H+](C)CCCNC(=O)C1CCC1 ZINC000429556811 566937477 /nfs/dbraw/zinc/93/74/77/566937477.db2.gz PWGXDSKNHXGYAX-INIZCTEOSA-N 1 2 387.307 3.446 10 0 GGAELO Cc1cc(Br)c2c(c1)CCN(C(=O)N[C@@H]1CCn3cc[nH+]c3C1)C2 ZINC000633177273 566939979 /nfs/dbraw/zinc/93/99/79/566939979.db2.gz BDLNQOQRSCVXIY-CQSZACIVSA-N 1 2 389.297 3.037 10 0 GGAELO Cc1cc(Br)c2c(c1)CCN(C(=O)N[C@H]1CCn3cc[nH+]c3C1)C2 ZINC000633177272 566940397 /nfs/dbraw/zinc/94/03/97/566940397.db2.gz BDLNQOQRSCVXIY-AWEZNQCLSA-N 1 2 389.297 3.037 10 0 GGAELO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCc1cc(Br)ccn1)C2 ZINC000452144464 566943172 /nfs/dbraw/zinc/94/31/72/566943172.db2.gz GUZQIYBLYUOBPB-LLVKDONJSA-N 1 2 377.286 3.112 10 0 GGAELO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCc1cc(Br)ccn1)CC2 ZINC000452144464 566943179 /nfs/dbraw/zinc/94/31/79/566943179.db2.gz GUZQIYBLYUOBPB-LLVKDONJSA-N 1 2 377.286 3.112 10 0 GGAELO Nc1nccc([C@@H]2CCC[N@H+](CC(=O)Nc3ccc(Cl)c(Cl)c3)C2)n1 ZINC000429699405 566945892 /nfs/dbraw/zinc/94/58/92/566945892.db2.gz FLOHXMQEIBKCDA-LLVKDONJSA-N 1 2 380.279 3.014 10 0 GGAELO Nc1nccc([C@@H]2CCC[N@@H+](CC(=O)Nc3ccc(Cl)c(Cl)c3)C2)n1 ZINC000429699405 566945896 /nfs/dbraw/zinc/94/58/96/566945896.db2.gz FLOHXMQEIBKCDA-LLVKDONJSA-N 1 2 380.279 3.014 10 0 GGAELO CCn1cc[nH+]c1[C@@H](C)NC(=O)N[C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12 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ZINC000545196895 567027202 /nfs/dbraw/zinc/02/72/02/567027202.db2.gz LSRGZIUVNLPQOX-STQMWFEESA-N 1 2 392.359 3.491 10 0 GGAELO CCCOc1ccc(Br)cc1C[N@@H+](C)[C@@H](C)[C@H](C)S(C)(=O)=O ZINC000545196895 567027208 /nfs/dbraw/zinc/02/72/08/567027208.db2.gz LSRGZIUVNLPQOX-STQMWFEESA-N 1 2 392.359 3.491 10 0 GGAELO COc1ccc(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)cc1Cl ZINC000634304817 567029790 /nfs/dbraw/zinc/02/97/90/567029790.db2.gz VQIXVJKMRWNBOJ-UHFFFAOYSA-N 1 2 377.897 3.227 10 0 GGAELO O=C(N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000613306266 567029909 /nfs/dbraw/zinc/02/99/09/567029909.db2.gz YNBBMDGVERBNEN-VXGBXAGGSA-N 1 2 379.291 3.217 10 0 GGAELO O=C(N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000613306266 567029916 /nfs/dbraw/zinc/02/99/16/567029916.db2.gz YNBBMDGVERBNEN-VXGBXAGGSA-N 1 2 379.291 3.217 10 0 GGAELO Cn1ncc(Br)c1C[N@H+](CCCO)[C@@H]1CCCc2ccccc21 ZINC000494929176 567034505 /nfs/dbraw/zinc/03/45/05/567034505.db2.gz HKUYDZHTILRJJR-QGZVFWFLSA-N 1 2 378.314 3.445 10 0 GGAELO Cn1ncc(Br)c1C[N@@H+](CCCO)[C@@H]1CCCc2ccccc21 ZINC000494929176 567034517 /nfs/dbraw/zinc/03/45/17/567034517.db2.gz HKUYDZHTILRJJR-QGZVFWFLSA-N 1 2 378.314 3.445 10 0 GGAELO COc1cc(Br)ccc1CCCNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000613450349 567038264 /nfs/dbraw/zinc/03/82/64/567038264.db2.gz BABDWTAGEMNUKY-CYBMUJFWSA-N 1 2 392.297 3.035 10 0 GGAELO COc1cc(Br)ccc1CCCNC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000613450349 567038275 /nfs/dbraw/zinc/03/82/75/567038275.db2.gz BABDWTAGEMNUKY-CYBMUJFWSA-N 1 2 392.297 3.035 10 0 GGAELO Cn1ncc(Br)c1C[N@@H+]1CCC[C@H]1c1cccc2c1OCCO2 ZINC000494991100 567038717 /nfs/dbraw/zinc/03/87/17/567038717.db2.gz CNUIPWBLSLVAGR-AWEZNQCLSA-N 1 2 378.270 3.291 10 0 GGAELO Cn1ncc(Br)c1C[N@H+]1CCC[C@H]1c1cccc2c1OCCO2 ZINC000494991100 567038725 /nfs/dbraw/zinc/03/87/25/567038725.db2.gz CNUIPWBLSLVAGR-AWEZNQCLSA-N 1 2 378.270 3.291 10 0 GGAELO Cc1ccn2cc(CNC(=O)NCc3csc(Br)c3)[nH+]c2c1 ZINC000521090442 567039527 /nfs/dbraw/zinc/03/95/27/567039527.db2.gz GARNJZVYAPDJHW-UHFFFAOYSA-N 1 2 379.283 3.466 10 0 GGAELO O=C([C@@H]1CCc2[nH+]c[nH]c2C1)N1CCc2c(Br)ccc(F)c2C1 ZINC000613493188 567039911 /nfs/dbraw/zinc/03/99/11/567039911.db2.gz SFDQUAKXSWGKGI-SNVBAGLBSA-N 1 2 378.245 3.001 10 0 GGAELO O=C([C@@H]1CCc2[nH]c[nH+]c2C1)N1CCc2c(Br)ccc(F)c2C1 ZINC000613493188 567039920 /nfs/dbraw/zinc/03/99/20/567039920.db2.gz SFDQUAKXSWGKGI-SNVBAGLBSA-N 1 2 378.245 3.001 10 0 GGAELO CCOC(=O)C[N@H+](C[C@H](O)COc1ccc(Cl)c(Cl)c1)C1CCC1 ZINC000613493891 567040407 /nfs/dbraw/zinc/04/04/07/567040407.db2.gz VTRQPTJJYQZOFR-ZDUSSCGKSA-N 1 2 376.280 3.151 10 0 GGAELO CCOC(=O)C[N@@H+](C[C@H](O)COc1ccc(Cl)c(Cl)c1)C1CCC1 ZINC000613493891 567040414 /nfs/dbraw/zinc/04/04/14/567040414.db2.gz VTRQPTJJYQZOFR-ZDUSSCGKSA-N 1 2 376.280 3.151 10 0 GGAELO Cc1cc(Br)cn2cc(CNC(=O)Cc3cc(C4CC4)no3)[nH+]c12 ZINC000613505185 567042895 /nfs/dbraw/zinc/04/28/95/567042895.db2.gz XFZPPYDLVDKFBV-UHFFFAOYSA-N 1 2 389.253 3.130 10 0 GGAELO O=c1c2c([nH]n1-c1cncc(Br)c1)CC[N@@H+](Cc1ccccc1)C2 ZINC000634620494 567043021 /nfs/dbraw/zinc/04/30/21/567043021.db2.gz GFPCPQAHPURSAL-INIZCTEOSA-N 1 2 385.265 3.069 10 0 GGAELO O=c1c2c([nH]n1-c1cncc(Br)c1)CC[N@H+](Cc1ccccc1)C2 ZINC000634620494 567043023 /nfs/dbraw/zinc/04/30/23/567043023.db2.gz GFPCPQAHPURSAL-INIZCTEOSA-N 1 2 385.265 3.069 10 0 GGAELO Cc1cc(Br)cn2cc(CNC(=O)C[C@H](C)[C@@H]3CCCO3)[nH+]c12 ZINC000613504249 567043004 /nfs/dbraw/zinc/04/30/04/567043004.db2.gz MNQZLVDRAKMWSO-NHYWBVRUSA-N 1 2 380.286 3.227 10 0 GGAELO Cn1ncc(Br)c1CN1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000495093026 567045858 /nfs/dbraw/zinc/04/58/58/567045858.db2.gz JHCVZLFPGSIBAY-UHFFFAOYSA-N 1 2 383.721 3.154 10 0 GGAELO O=C1CCCN1Cc1cccc(C[NH2+]Cc2c(F)cncc2Br)c1 ZINC000657308042 567046847 /nfs/dbraw/zinc/04/68/47/567046847.db2.gz LOLDLNSJVJFERB-UHFFFAOYSA-N 1 2 392.272 3.395 10 0 GGAELO C[C@H]([NH2+]Cc1cn(C2CCC2)nn1)c1cc2c(cc1Br)OCCO2 ZINC000657320140 567046929 /nfs/dbraw/zinc/04/69/29/567046929.db2.gz UHBVCANLGKCPKZ-NSHDSACASA-N 1 2 393.285 3.388 10 0 GGAELO C[C@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1CC=C(c2ccnn2C)CC1 ZINC000584485420 567047198 /nfs/dbraw/zinc/04/71/98/567047198.db2.gz WUAGIHMXVMSKTJ-CYBMUJFWSA-N 1 2 389.297 3.299 10 0 GGAELO C[C@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CC=C(c2ccnn2C)CC1 ZINC000584485420 567047203 /nfs/dbraw/zinc/04/72/03/567047203.db2.gz WUAGIHMXVMSKTJ-CYBMUJFWSA-N 1 2 389.297 3.299 10 0 GGAELO O=C(Cc1sccc1Br)NCC1CC[NH+](CC(F)F)CC1 ZINC000565207440 567048067 /nfs/dbraw/zinc/04/80/67/567048067.db2.gz JBJUWGKRJRKEHS-UHFFFAOYSA-N 1 2 381.286 3.146 10 0 GGAELO COc1cc(C[NH2+]Cc2cn(C3CCC3)nn2)cc(Br)c1OC ZINC000657349764 567049104 /nfs/dbraw/zinc/04/91/04/567049104.db2.gz MJMJXVKHFAEFDB-UHFFFAOYSA-N 1 2 381.274 3.073 10 0 GGAELO CCN(Cc1ccccc1)C(=O)C[NH2+]Cc1c(F)cncc1Br ZINC000657333073 567049295 /nfs/dbraw/zinc/04/92/95/567049295.db2.gz YCPMQKFBXANQHS-UHFFFAOYSA-N 1 2 380.261 3.122 10 0 GGAELO Fc1cncc(Br)c1C[NH2+]Cc1ccnc(OC2CCOCC2)c1 ZINC000657360320 567051439 /nfs/dbraw/zinc/05/14/39/567051439.db2.gz BXPUZSLSMQXKIV-UHFFFAOYSA-N 1 2 396.260 3.226 10 0 GGAELO C[C@H]([NH2+][C@@H](C)c1ncc(Br)cn1)C(=O)Nc1cc(F)ccc1F ZINC000431078256 567052131 /nfs/dbraw/zinc/05/21/31/567052131.db2.gz FKIHGPVZTALESL-IUCAKERBSA-N 1 2 385.212 3.195 10 0 GGAELO COc1ccc(C)cc1NC(=O)[C@H](C)[NH2+][C@H](C)c1ncc(Br)cn1 ZINC000431078383 567052184 /nfs/dbraw/zinc/05/21/84/567052184.db2.gz TZTNJLNVASXYOP-NEPJUHHUSA-N 1 2 393.285 3.234 10 0 GGAELO CCOc1ccccc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ncc(Br)cn1 ZINC000431082057 567052419 /nfs/dbraw/zinc/05/24/19/567052419.db2.gz SJMOJYDCLZDRJL-NWDGAFQWSA-N 1 2 393.285 3.316 10 0 GGAELO C[C@@H]([NH2+][C@@H](C)C(=O)NCCC1=CCCCC1)c1ncc(Br)cn1 ZINC000431079217 567052749 /nfs/dbraw/zinc/05/27/49/567052749.db2.gz YAVCUXOPOOHFNZ-OLZOCXBDSA-N 1 2 381.318 3.285 10 0 GGAELO O=C(NCCc1ccc(Br)cc1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000584567487 567053655 /nfs/dbraw/zinc/05/36/55/567053655.db2.gz CQXUZSXTDHWAPB-QGZVFWFLSA-N 1 2 390.281 3.250 10 0 GGAELO C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2Cl)C1=O)c1ncc(Br)cn1 ZINC000431086764 567053688 /nfs/dbraw/zinc/05/36/88/567053688.db2.gz SCZSJYBKBYSHAD-ZWNOBZJWSA-N 1 2 395.688 3.349 10 0 GGAELO CC(=O)c1cccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ncc(Br)cn2)c1 ZINC000431095141 567053763 /nfs/dbraw/zinc/05/37/63/567053763.db2.gz DNWVKLMCDDGHHP-WDEREUQCSA-N 1 2 391.269 3.120 10 0 GGAELO CC(=O)c1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ncc(Br)cn2)cc1 ZINC000431101080 567053987 /nfs/dbraw/zinc/05/39/87/567053987.db2.gz XIXQNEFAGPCTFE-WDEREUQCSA-N 1 2 391.269 3.120 10 0 GGAELO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH2+][C@H](C)c1ncc(Br)cn1 ZINC000431092635 567054055 /nfs/dbraw/zinc/05/40/55/567054055.db2.gz CVUYFITWMPPPLQ-MJBXVCDLSA-N 1 2 391.313 3.464 10 0 GGAELO CCc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ncc(Br)cn1 ZINC000431088502 567054257 /nfs/dbraw/zinc/05/42/57/567054257.db2.gz DOEKXVGMNJOXQC-RYUDHWBXSA-N 1 2 377.286 3.479 10 0 GGAELO C[C@H]([NH2+][C@H]1CCN(c2cccc(Cl)c2)C1=O)c1ncc(Br)cn1 ZINC000431109273 567055014 /nfs/dbraw/zinc/05/50/14/567055014.db2.gz DGBSAQACABWXEP-HZMBPMFUSA-N 1 2 395.688 3.349 10 0 GGAELO Cc1ccccc1CN(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ncc(Br)cn1 ZINC000431109623 567055204 /nfs/dbraw/zinc/05/52/04/567055204.db2.gz RNDYSLUEKGUSQD-UONOGXRCSA-N 1 2 391.313 3.245 10 0 GGAELO FC(F)[C@H]1CC[N@H+](Cc2nc(-c3cccc(Br)c3)no2)CCO1 ZINC000634749797 567055568 /nfs/dbraw/zinc/05/55/68/567055568.db2.gz FWHRRPFARFSELI-GFCCVEGCSA-N 1 2 388.212 3.355 10 0 GGAELO FC(F)[C@H]1CC[N@@H+](Cc2nc(-c3cccc(Br)c3)no2)CCO1 ZINC000634749797 567055573 /nfs/dbraw/zinc/05/55/73/567055573.db2.gz FWHRRPFARFSELI-GFCCVEGCSA-N 1 2 388.212 3.355 10 0 GGAELO C[C@H]([NH2+][C@@H](C)c1ncc(Br)cn1)C(=O)NCc1ccccc1Cl ZINC000431115945 567056458 /nfs/dbraw/zinc/05/64/58/567056458.db2.gz CUPNXXUPIAIPEK-QWRGUYRKSA-N 1 2 397.704 3.248 10 0 GGAELO CCc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ncc(Br)cn2)cc1 ZINC000431122127 567056667 /nfs/dbraw/zinc/05/66/67/567056667.db2.gz ZFEIXIBNSUGZCV-NWDGAFQWSA-N 1 2 377.286 3.479 10 0 GGAELO FC(F)[C@H]1CC[N@H+](Cc2nc(-c3cc(Br)cs3)no2)CCO1 ZINC000634752215 567056651 /nfs/dbraw/zinc/05/66/51/567056651.db2.gz HVBFBGFNKBROFO-SECBINFHSA-N 1 2 394.241 3.417 10 0 GGAELO FC(F)[C@H]1CC[N@@H+](Cc2nc(-c3cc(Br)cs3)no2)CCO1 ZINC000634752215 567056654 /nfs/dbraw/zinc/05/66/54/567056654.db2.gz HVBFBGFNKBROFO-SECBINFHSA-N 1 2 394.241 3.417 10 0 GGAELO CCc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ncc(Br)cn2)cc1 ZINC000431122128 567056943 /nfs/dbraw/zinc/05/69/43/567056943.db2.gz ZFEIXIBNSUGZCV-RYUDHWBXSA-N 1 2 377.286 3.479 10 0 GGAELO C[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C)c1ncc(Br)cn1 ZINC000431117211 567056952 /nfs/dbraw/zinc/05/69/52/567056952.db2.gz HGSZYGOSPVMKDS-XLFUENPSSA-N 1 2 383.334 3.219 10 0 GGAELO C[C@H]([NH2+][C@@H](C)c1ncc(Br)cn1)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000431116849 567057057 /nfs/dbraw/zinc/05/70/57/567057057.db2.gz DVYMSMUOEAGZHM-SRVKXCTJSA-N 1 2 395.276 3.295 10 0 GGAELO CC[N@@H+]1CC[C@@H](NCc2nsc(N(C)C)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000584667600 567059468 /nfs/dbraw/zinc/05/94/68/567059468.db2.gz NAEVBVQQQQETGU-ZBFHGGJFSA-N 1 2 383.924 3.322 10 0 GGAELO CC[N@H+]1CC[C@@H](NCc2nsc(N(C)C)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000584667600 567059475 /nfs/dbraw/zinc/05/94/75/567059475.db2.gz NAEVBVQQQQETGU-ZBFHGGJFSA-N 1 2 383.924 3.322 10 0 GGAELO CCN1CC[C@@H]([NH2+]Cc2nsc(N(C)C)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000584667600 567059479 /nfs/dbraw/zinc/05/94/79/567059479.db2.gz NAEVBVQQQQETGU-ZBFHGGJFSA-N 1 2 383.924 3.322 10 0 GGAELO O=C1C[C@H]([NH2+]Cc2c(F)cncc2Br)CN1c1ccccc1F ZINC000657472282 567060402 /nfs/dbraw/zinc/06/04/02/567060402.db2.gz LKEJZWLZOUNFLM-JTQLQIEISA-N 1 2 382.208 3.017 10 0 GGAELO Brc1cncc(Br)c1C[NH2+]Cc1cnn2c1CCC2 ZINC000657480428 567060450 /nfs/dbraw/zinc/06/04/50/567060450.db2.gz NJUXHMPIYMXHQY-UHFFFAOYSA-N 1 2 386.091 3.039 10 0 GGAELO COc1cc(Br)ccc1[C@H](C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000682586755 567060665 /nfs/dbraw/zinc/06/06/65/567060665.db2.gz HRFMUSSYTKCKPY-NWDGAFQWSA-N 1 2 378.270 3.094 10 0 GGAELO O=C([C@H]1CCn2cc[nH+]c2C1)N1CCc2cc(Br)c(Cl)cc21 ZINC000682570338 567060711 /nfs/dbraw/zinc/06/07/11/567060711.db2.gz NKKJORPYINNQAK-NSHDSACASA-N 1 2 380.673 3.451 10 0 GGAELO CCc1ccc(C[NH+]2CCN(C(=O)c3cccc([S@](C)=O)c3)CC2)s1 ZINC000613794218 567062408 /nfs/dbraw/zinc/06/24/08/567062408.db2.gz CKVVDABBCDMZBM-VWLOTQADSA-N 1 2 376.547 3.006 10 0 GGAELO C[N@@H+]1CC[C@H](NC(=O)c2cccc([S@](C)=O)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000613807634 567063893 /nfs/dbraw/zinc/06/38/93/567063893.db2.gz ARPOZZSRHQUUQR-RPPIVITFSA-N 1 2 376.909 3.253 10 0 GGAELO C[N@H+]1CC[C@H](NC(=O)c2cccc([S@](C)=O)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000613807634 567063900 /nfs/dbraw/zinc/06/39/00/567063900.db2.gz ARPOZZSRHQUUQR-RPPIVITFSA-N 1 2 376.909 3.253 10 0 GGAELO Brc1c[nH+]c(N2CCCSCC2)nc1N1CCCSCC1 ZINC000634798281 567064631 /nfs/dbraw/zinc/06/46/31/567064631.db2.gz QRISSBHHJABMFZ-UHFFFAOYSA-N 1 2 389.388 3.126 10 0 GGAELO OC[C@@H]([NH2+]Cc1nc(-c2ccc(Br)s2)no1)c1ccsc1 ZINC000473162093 567064945 /nfs/dbraw/zinc/06/49/45/567064945.db2.gz DUSZJOATMWZJIR-SECBINFHSA-N 1 2 386.296 3.445 10 0 GGAELO CS(=O)(=O)c1ccc(-c2nc(C[NH2+][C@H](CO)c3ccsc3)cs2)cc1 ZINC000473165821 567065274 /nfs/dbraw/zinc/06/52/74/567065274.db2.gz GOTJQQZCLPWNOY-MRXNPFEDSA-N 1 2 394.543 3.098 10 0 GGAELO OC[C@H]([NH2+]Cc1nnc(-c2ccccc2Br)o1)c1ccsc1 ZINC000473157527 567065903 /nfs/dbraw/zinc/06/59/03/567065903.db2.gz CWZIBLRKSSKASR-ZDUSSCGKSA-N 1 2 380.267 3.384 10 0 GGAELO COCCOCc1ccc(C[NH2+][C@@H](C)c2ncc(Br)cn2)cc1 ZINC000521596812 567068743 /nfs/dbraw/zinc/06/87/43/567068743.db2.gz PAJMONMMLFGORR-ZDUSSCGKSA-N 1 2 380.286 3.253 10 0 GGAELO CCOc1cc(C[NH2+][C@@H]2C[C@H](C)n3ncnc32)cc(Br)c1OC ZINC000657566963 567070736 /nfs/dbraw/zinc/07/07/36/567070736.db2.gz GIZCSPVBDWQAJQ-GXFFZTMASA-N 1 2 381.274 3.244 10 0 GGAELO O=C(N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000613903257 567070960 /nfs/dbraw/zinc/07/09/60/567070960.db2.gz YUAFNURHMPFDKD-YPMHNXCESA-N 1 2 379.291 3.217 10 0 GGAELO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@H]1C[C@@H](C)n2ncnc21 ZINC000657571238 567070984 /nfs/dbraw/zinc/07/09/84/567070984.db2.gz XFIABHRMIOZCGI-BZNIZROVSA-N 1 2 387.285 3.330 10 0 GGAELO O=C(N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000613903257 567070969 /nfs/dbraw/zinc/07/09/69/567070969.db2.gz YUAFNURHMPFDKD-YPMHNXCESA-N 1 2 379.291 3.217 10 0 GGAELO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+][C@H]1C[C@H](C)n2ncnc21 ZINC000657571781 567071137 /nfs/dbraw/zinc/07/11/37/567071137.db2.gz ZHTMKDRJBCSESM-ZBEGNZNMSA-N 1 2 387.285 3.330 10 0 GGAELO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+][C@@H]1C[C@H](C)n2ncnc21 ZINC000657571780 567071172 /nfs/dbraw/zinc/07/11/72/567071172.db2.gz ZHTMKDRJBCSESM-MEDUHNTESA-N 1 2 387.285 3.330 10 0 GGAELO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+][C@H]1C[C@@H](C)n2ncnc21 ZINC000657571779 567071289 /nfs/dbraw/zinc/07/12/89/567071289.db2.gz ZHTMKDRJBCSESM-BZNIZROVSA-N 1 2 387.285 3.330 10 0 GGAELO C[C@@H]1CN(C(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)CCC1=O ZINC000473266328 567071917 /nfs/dbraw/zinc/07/19/17/567071917.db2.gz UZSDCBFUPDBEGA-DYVFJYSZSA-N 1 2 379.298 3.024 10 0 GGAELO C[C@H]([NH2+]Cc1nn(C)cc1Br)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000453311174 567074851 /nfs/dbraw/zinc/07/48/51/567074851.db2.gz RWJADMAONIGHQN-JTQLQIEISA-N 1 2 377.286 3.263 10 0 GGAELO Cc1ccc(C(=O)N2CC[NH+](Cc3ccccn3)CC2)c(C)c1Br ZINC000682851984 567075419 /nfs/dbraw/zinc/07/54/19/567075419.db2.gz GCSBEAAMQIRAFI-UHFFFAOYSA-N 1 2 388.309 3.419 10 0 GGAELO C[C@H]([NH2+]Cc1nn(C)cc1I)c1cc2c(s1)CCC2 ZINC000453336566 567076764 /nfs/dbraw/zinc/07/67/64/567076764.db2.gz ALQLYZCLLXAGJH-VIFPVBQESA-N 1 2 387.290 3.426 10 0 GGAELO O=C(N1CC[NH+](Cc2ccco2)CC1)C1(c2ccccc2Br)CC1 ZINC000473386809 567077101 /nfs/dbraw/zinc/07/71/01/567077101.db2.gz IKMRPRDDAQDMCU-UHFFFAOYSA-N 1 2 389.293 3.418 10 0 GGAELO Cn1c[nH+]cc1Cc1noc(-c2cnn(-c3ccc(Br)cc3)c2)n1 ZINC000545843387 567079593 /nfs/dbraw/zinc/07/95/93/567079593.db2.gz PPSHRFBCJONSGV-UHFFFAOYSA-N 1 2 385.225 3.009 10 0 GGAELO Cn1cc(I)c(C[NH2+][C@@H](c2ccc(F)cc2)C2CC2)n1 ZINC000453388832 567085912 /nfs/dbraw/zinc/08/59/12/567085912.db2.gz WWLCEZJFRAWJFU-OAHLLOKOSA-N 1 2 385.224 3.405 10 0 GGAELO CCCc1ncc(C[NH2+][C@@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)o1 ZINC000453402273 567087147 /nfs/dbraw/zinc/08/71/47/567087147.db2.gz ZSKHGECELIYRDK-VIFPVBQESA-N 1 2 392.308 3.432 10 0 GGAELO Cc1cc(C)c(S(=O)(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)s1 ZINC000431524179 567087390 /nfs/dbraw/zinc/08/73/90/567087390.db2.gz OFHNGMJADIFMSY-CVEARBPZSA-N 1 2 386.489 3.367 10 0 GGAELO Cc1cc(C)c(S(=O)(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)s1 ZINC000431524179 567087393 /nfs/dbraw/zinc/08/73/93/567087393.db2.gz OFHNGMJADIFMSY-CVEARBPZSA-N 1 2 386.489 3.367 10 0 GGAELO CCCc1ncc(C[NH2+][C@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)o1 ZINC000453402272 567087526 /nfs/dbraw/zinc/08/75/26/567087526.db2.gz ZSKHGECELIYRDK-SECBINFHSA-N 1 2 392.308 3.432 10 0 GGAELO Cc1cc(C)c(S(=O)(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)s1 ZINC000431524180 567087888 /nfs/dbraw/zinc/08/78/88/567087888.db2.gz OFHNGMJADIFMSY-HOTGVXAUSA-N 1 2 386.489 3.367 10 0 GGAELO Cc1cc(C)c(S(=O)(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)s1 ZINC000431524180 567087894 /nfs/dbraw/zinc/08/78/94/567087894.db2.gz OFHNGMJADIFMSY-HOTGVXAUSA-N 1 2 386.489 3.367 10 0 GGAELO Cn1cc[nH+]c1[C@@H](NS(=O)(=O)c1c(F)cccc1Cl)c1ccccc1 ZINC000545920978 567088548 /nfs/dbraw/zinc/08/85/48/567088548.db2.gz SJLQIXFIYLLLTH-HNNXBMFYSA-N 1 2 379.844 3.281 10 0 GGAELO COC(=O)c1ccc(C[N@H+]2CCC[C@@H](OC(F)F)C2)c(Br)c1 ZINC000585767306 567089732 /nfs/dbraw/zinc/08/97/32/567089732.db2.gz JOMULPNLHQEIHF-GFCCVEGCSA-N 1 2 378.213 3.439 10 0 GGAELO COC(=O)c1ccc(C[N@@H+]2CCC[C@@H](OC(F)F)C2)c(Br)c1 ZINC000585767306 567089729 /nfs/dbraw/zinc/08/97/29/567089729.db2.gz JOMULPNLHQEIHF-GFCCVEGCSA-N 1 2 378.213 3.439 10 0 GGAELO COc1cc(C[N@@H+]2CCN(C(=O)c3cscn3)[C@@H](C)C2)ccc1SC ZINC000453572790 567093043 /nfs/dbraw/zinc/09/30/43/567093043.db2.gz HWGJEMBJRYCSMB-ZDUSSCGKSA-N 1 2 377.535 3.220 10 0 GGAELO COc1cc(C[N@H+]2CCN(C(=O)c3cscn3)[C@@H](C)C2)ccc1SC ZINC000453572790 567093052 /nfs/dbraw/zinc/09/30/52/567093052.db2.gz HWGJEMBJRYCSMB-ZDUSSCGKSA-N 1 2 377.535 3.220 10 0 GGAELO Cc1ccc(CC(=O)NCc2[nH+]ccn2CC(F)(F)F)cc1Br ZINC000473629144 567093162 /nfs/dbraw/zinc/09/31/62/567093162.db2.gz YYMOIHHTAHWYFK-UHFFFAOYSA-N 1 2 390.203 3.375 10 0 GGAELO CCN(Cc1ccccc1Br)C(=O)C1([NH+]2CCOCC2)CCC1 ZINC000545993898 567093508 /nfs/dbraw/zinc/09/35/08/567093508.db2.gz WDMWSJDAQGLXMG-UHFFFAOYSA-N 1 2 381.314 3.053 10 0 GGAELO CCc1ccc(C[NH+]2CCN(C(=O)N[C@@H](C3CC3)C(F)(F)F)CC2)s1 ZINC000565737777 567094134 /nfs/dbraw/zinc/09/41/34/567094134.db2.gz ODJBDZSRPPKYNS-HNNXBMFYSA-N 1 2 375.460 3.479 10 0 GGAELO C[C@@H]([NH2+]Cc1nnnn1CC1CC1)c1cc2cc(Br)ccc2o1 ZINC000546017425 567095486 /nfs/dbraw/zinc/09/54/86/567095486.db2.gz MVGNMVBVJRFQIJ-SNVBAGLBSA-N 1 2 376.258 3.443 10 0 GGAELO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@@H+]1Cc1c(Cl)cccc1OC(F)F ZINC000614255870 567097695 /nfs/dbraw/zinc/09/76/95/567097695.db2.gz IABHWXQXKQUGCT-VXGBXAGGSA-N 1 2 377.815 3.484 10 0 GGAELO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@H+]1Cc1c(Cl)cccc1OC(F)F ZINC000614255870 567097697 /nfs/dbraw/zinc/09/76/97/567097697.db2.gz IABHWXQXKQUGCT-VXGBXAGGSA-N 1 2 377.815 3.484 10 0 GGAELO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)c1cc(Br)ccc1OC(F)F ZINC000565779231 567098056 /nfs/dbraw/zinc/09/80/56/567098056.db2.gz TYSPPPIZYWAYPT-SECBINFHSA-N 1 2 386.196 3.061 10 0 GGAELO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)c1cc(Br)ccc1OC(F)F ZINC000565779231 567098058 /nfs/dbraw/zinc/09/80/58/567098058.db2.gz TYSPPPIZYWAYPT-SECBINFHSA-N 1 2 386.196 3.061 10 0 GGAELO COc1ccccc1-c1cc(C[NH2+]Cc2c(Br)cnn2C)on1 ZINC000657817823 567098757 /nfs/dbraw/zinc/09/87/57/567098757.db2.gz PQBVTBKHNCYRJI-UHFFFAOYSA-N 1 2 377.242 3.136 10 0 GGAELO Cc1nc(N2CCC(Oc3cccc(Br)c3)CC2)nc(N(C)C)[nH+]1 ZINC000546051525 567098796 /nfs/dbraw/zinc/09/87/96/567098796.db2.gz RXQFSDRRCCQGKX-UHFFFAOYSA-N 1 2 392.301 3.056 10 0 GGAELO Cc1nc(N(C)C)nc(N2CCC(Oc3cccc(Br)c3)CC2)[nH+]1 ZINC000546051525 567098802 /nfs/dbraw/zinc/09/88/02/567098802.db2.gz RXQFSDRRCCQGKX-UHFFFAOYSA-N 1 2 392.301 3.056 10 0 GGAELO Cc1cc(NC(=O)c2ncc(Br)cc2Br)c(C)c[nH+]1 ZINC000546049174 567098938 /nfs/dbraw/zinc/09/89/38/567098938.db2.gz ZBQHEQXXDLEDDB-UHFFFAOYSA-N 1 2 385.059 3.293 10 0 GGAELO Cc1cc(Br)cc2c(C(=O)N[C@@H](C)[C@H](C)[NH+]3CCOCC3)coc21 ZINC000473730962 567099157 /nfs/dbraw/zinc/09/91/57/567099157.db2.gz CRGGDTRQBBIDHP-STQMWFEESA-N 1 2 395.297 3.343 10 0 GGAELO CCOCC[NH+]1CCN(C(=O)c2coc3c2cc(Br)cc3C)CC1 ZINC000473739739 567099653 /nfs/dbraw/zinc/09/96/53/567099653.db2.gz DSKTZPQBQSEGJJ-UHFFFAOYSA-N 1 2 395.297 3.298 10 0 GGAELO Cc1ccsc1-c1nc(=NC(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)s[nH]1 ZINC000473827420 567104676 /nfs/dbraw/zinc/10/46/76/567104676.db2.gz HUJPUPYGHVBRMJ-WCQYABFASA-N 1 2 379.555 3.239 10 0 GGAELO Cc1ccsc1-c1nc(=NC(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)s[nH]1 ZINC000473827420 567104681 /nfs/dbraw/zinc/10/46/81/567104681.db2.gz HUJPUPYGHVBRMJ-WCQYABFASA-N 1 2 379.555 3.239 10 0 GGAELO Cc1ccsc1-c1nc(=NC(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)s[nH]1 ZINC000473819123 567105040 /nfs/dbraw/zinc/10/50/40/567105040.db2.gz MYANGDLUVZEPOV-CHWSQXEVSA-N 1 2 379.555 3.381 10 0 GGAELO Cc1ccsc1-c1nc(=NC(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)s[nH]1 ZINC000473825573 567105095 /nfs/dbraw/zinc/10/50/95/567105095.db2.gz CIPDWVVEAZATKT-STQMWFEESA-N 1 2 379.555 3.381 10 0 GGAELO Cc1ccsc1-c1nc(=NC(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)s[nH]1 ZINC000473825573 567105105 /nfs/dbraw/zinc/10/51/05/567105105.db2.gz CIPDWVVEAZATKT-STQMWFEESA-N 1 2 379.555 3.381 10 0 GGAELO Cc1ccsc1-c1nc(=NC(=O)NCCC[NH+]2CCC(C)CC2)s[nH]1 ZINC000473823167 567105275 /nfs/dbraw/zinc/10/52/75/567105275.db2.gz VWVSBNIHKSHGER-UHFFFAOYSA-N 1 2 379.555 3.240 10 0 GGAELO Cc1cc(Br)cn2cc(CNC(=O)c3cccc4nccnc43)[nH+]c12 ZINC000546112792 567105276 /nfs/dbraw/zinc/10/52/76/567105276.db2.gz UVBBSQPXNQRXHT-UHFFFAOYSA-N 1 2 396.248 3.278 10 0 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ZINC000474924665 567210005 /nfs/dbraw/zinc/21/00/05/567210005.db2.gz NUCCQAQSHCJWHC-CQSZACIVSA-N 1 2 396.203 3.339 10 0 GGAELO FC(F)(F)Oc1ccc(C[N@H+]2CCO[C@]3(CCOC3)C2)cc1Br ZINC000474924665 567210007 /nfs/dbraw/zinc/21/00/07/567210007.db2.gz NUCCQAQSHCJWHC-CQSZACIVSA-N 1 2 396.203 3.339 10 0 GGAELO Cc1ccsc1-c1nc(=NC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)s[nH]1 ZINC000547450604 567211063 /nfs/dbraw/zinc/21/10/63/567211063.db2.gz XVFFTQUSSHQCLR-ZDUSSCGKSA-N 1 2 377.539 3.089 10 0 GGAELO O=C(NCc1[nH+]ccn1CC(F)(F)F)NCc1ccccc1Br ZINC000590163331 567212330 /nfs/dbraw/zinc/21/23/30/567212330.db2.gz ARBNMEIXQZTBCI-UHFFFAOYSA-N 1 2 391.191 3.207 10 0 GGAELO C[C@@H]([NH2+]CC(=O)N(C)[C@@H](C)c1ccc(F)cc1)c1ncc(Br)cn1 ZINC000432989258 567212382 /nfs/dbraw/zinc/21/23/82/567212382.db2.gz PERYAZMSXMTEKU-NEPJUHHUSA-N 1 2 395.276 3.248 10 0 GGAELO CC(=O)c1ccccc1NC(=O)[C@H](C)[NH2+][C@H](C)c1ncc(Br)cn1 ZINC000432986906 567212539 /nfs/dbraw/zinc/21/25/39/567212539.db2.gz SDYHSKSUMLYJHT-MNOVXSKESA-N 1 2 391.269 3.120 10 0 GGAELO O=C(N[C@H]1CCc2c1ccc(F)c2Br)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000615871004 567213204 /nfs/dbraw/zinc/21/32/04/567213204.db2.gz IGLFMJKQUCXZOZ-ZANVPECISA-N 1 2 378.245 3.220 10 0 GGAELO O=C(N[C@H]1CCc2c1ccc(F)c2Br)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000615871004 567213212 /nfs/dbraw/zinc/21/32/12/567213212.db2.gz IGLFMJKQUCXZOZ-ZANVPECISA-N 1 2 378.245 3.220 10 0 GGAELO C[C@@H](CNS(=O)(=O)c1ccc2ncsc2c1)[N@@H+]1CCc2sccc2C1 ZINC000547473409 567213634 /nfs/dbraw/zinc/21/36/34/567213634.db2.gz BJLLNSSDEROTMI-LBPRGKRZSA-N 1 2 393.559 3.083 10 0 GGAELO C[C@@H](CNS(=O)(=O)c1ccc2ncsc2c1)[N@H+]1CCc2sccc2C1 ZINC000547473409 567213638 /nfs/dbraw/zinc/21/36/38/567213638.db2.gz BJLLNSSDEROTMI-LBPRGKRZSA-N 1 2 393.559 3.083 10 0 GGAELO Cc1cccc(S(=O)(=O)CCC[NH2+][C@@H](C)c2ncc(Br)cn2)c1 ZINC000432992319 567214159 /nfs/dbraw/zinc/21/41/59/567214159.db2.gz JFDFQUJKHLCARB-ZDUSSCGKSA-N 1 2 398.326 3.062 10 0 GGAELO CSc1cccc(NC(=O)C[NH2+][C@H](C)c2ncc(Br)cn2)c1 ZINC000432996322 567214314 /nfs/dbraw/zinc/21/43/14/567214314.db2.gz ZZNQTKFMMGDODQ-SNVBAGLBSA-N 1 2 381.299 3.250 10 0 GGAELO CCc1ccc(CN(C)C(=O)C[NH2+][C@H](C)c2ncc(Br)cn2)cc1 ZINC000432989791 567214365 /nfs/dbraw/zinc/21/43/65/567214365.db2.gz UTZOBRPDEDQGSQ-CYBMUJFWSA-N 1 2 391.313 3.111 10 0 GGAELO C[C@@H]([NH2+]CC(=O)N(C)[C@H](C)c1ccccc1)c1ncc(Br)cn1 ZINC000432994700 567214382 /nfs/dbraw/zinc/21/43/82/567214382.db2.gz VKSZVDZENJKFEQ-CHWSQXEVSA-N 1 2 377.286 3.109 10 0 GGAELO CC(C)[C@H](NC(=O)C[NH2+][C@H](C)c1ncc(Br)cn1)c1ccccc1 ZINC000432991064 567214489 /nfs/dbraw/zinc/21/44/89/567214489.db2.gz IMFFIWIFRLSZGN-DYVFJYSZSA-N 1 2 391.313 3.403 10 0 GGAELO C[C@H](NC(=O)C[NH2+][C@@H](C)c1ncc(Br)cn1)c1ccc(Cl)cc1 ZINC000432989420 567214671 /nfs/dbraw/zinc/21/46/71/567214671.db2.gz QQARCHNQDBZSOJ-QWRGUYRKSA-N 1 2 397.704 3.421 10 0 GGAELO C[C@@H](NC(=O)C[NH2+][C@@H](C)c1ncc(Br)cn1)c1ccc(Cl)cc1 ZINC000432989419 567214705 /nfs/dbraw/zinc/21/47/05/567214705.db2.gz QQARCHNQDBZSOJ-MNOVXSKESA-N 1 2 397.704 3.421 10 0 GGAELO Cc1ccc([C@H](C)NC(=O)C[NH2+][C@H](C)c2ncc(Br)cn2)cc1C ZINC000432991080 567214803 /nfs/dbraw/zinc/21/48/03/567214803.db2.gz IOJDAGJHJQCOMJ-UONOGXRCSA-N 1 2 391.313 3.384 10 0 GGAELO CSc1ccc(NC(=O)C[NH2+][C@@H](C)c2ncc(Br)cn2)cc1 ZINC000433008852 567215607 /nfs/dbraw/zinc/21/56/07/567215607.db2.gz QCHHUPFCQBPLJS-JTQLQIEISA-N 1 2 381.299 3.250 10 0 GGAELO CCc1ccc([C@@H](C)NC(=O)C[NH2+][C@@H](C)c2ncc(Br)cn2)cc1 ZINC000433007600 567215748 /nfs/dbraw/zinc/21/57/48/567215748.db2.gz VQERNGYTUUTRSJ-OLZOCXBDSA-N 1 2 391.313 3.330 10 0 GGAELO COc1ccc(CCC(=O)N[C@H]2C[C@H](C)n3cc[nH+]c32)c(Br)c1 ZINC000615962602 567216282 /nfs/dbraw/zinc/21/62/82/567216282.db2.gz FKYIWOYNZUCJOX-NHYWBVRUSA-N 1 2 378.270 3.409 10 0 GGAELO CN(C)c1cc(NC(=O)[C@H]2COC[C@@H]2c2ccccc2)[nH+]cc1Br ZINC000615993228 567218664 /nfs/dbraw/zinc/21/86/64/567218664.db2.gz NUJUVNIILXJDPY-KGLIPLIRSA-N 1 2 390.281 3.279 10 0 GGAELO CN(C)c1cc(NC(=O)C2(C(F)(F)F)CCOCC2)[nH+]cc1Br ZINC000615993035 567218858 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ZINC000659843332 567231016 /nfs/dbraw/zinc/23/10/16/567231016.db2.gz RCRKUJMFLWFHJK-GFCCVEGCSA-N 1 2 386.721 3.236 10 0 GGAELO O=C(c1ccc(Cl)cc1Cl)N1CC[NH+](CCO[C@H]2CC2(F)F)CC1 ZINC000659836177 567231475 /nfs/dbraw/zinc/23/14/75/567231475.db2.gz NJNUIJMBAFDAHW-AWEZNQCLSA-N 1 2 379.234 3.175 10 0 GGAELO CCS(=O)(=O)c1ccc(C[NH2+]Cc2nccn2Cc2ccccc2)s1 ZINC000475219325 567232905 /nfs/dbraw/zinc/23/29/05/567232905.db2.gz LEWYGXMPKXSHRT-UHFFFAOYSA-N 1 2 375.519 3.076 10 0 GGAELO Cn1cc(Br)c(CN[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)n1 ZINC000433212505 567233231 /nfs/dbraw/zinc/23/32/31/567233231.db2.gz JGHOOBXQVOHZMP-GDBMZVCRSA-N 1 2 383.721 3.371 10 0 GGAELO Cn1cc(Br)c(CN[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)n1 ZINC000433212505 567233234 /nfs/dbraw/zinc/23/32/34/567233234.db2.gz JGHOOBXQVOHZMP-GDBMZVCRSA-N 1 2 383.721 3.371 10 0 GGAELO Brc1ccccc1[C@@H]1CCC[N@@H+]1Cc1cn(C[C@H]2CCOC2)nn1 ZINC000638150168 567235021 /nfs/dbraw/zinc/23/50/21/567235021.db2.gz WWESWSNWNDGBII-KDOFPFPSSA-N 1 2 391.313 3.414 10 0 GGAELO Brc1ccccc1[C@@H]1CCC[N@H+]1Cc1cn(C[C@H]2CCOC2)nn1 ZINC000638150168 567235026 /nfs/dbraw/zinc/23/50/26/567235026.db2.gz WWESWSNWNDGBII-KDOFPFPSSA-N 1 2 391.313 3.414 10 0 GGAELO O=C(NCc1ccc(F)cc1Br)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000547633397 567235469 /nfs/dbraw/zinc/23/54/69/567235469.db2.gz APDBGQWXNCZKTL-UHFFFAOYSA-N 1 2 381.249 3.401 10 0 GGAELO Cc1c2cc(Br)cc(C)c2oc1C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000547652678 567236158 /nfs/dbraw/zinc/23/61/58/567236158.db2.gz VQRIIBWMGVYASB-GFCCVEGCSA-N 1 2 395.297 3.263 10 0 GGAELO Cc1c2cc(Br)cc(C)c2oc1C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000547652678 567236165 /nfs/dbraw/zinc/23/61/65/567236165.db2.gz VQRIIBWMGVYASB-GFCCVEGCSA-N 1 2 395.297 3.263 10 0 GGAELO O=C([C@@H]1CCC[N@@H+](Cc2ncc(Br)cc2Cl)C1)N1CCCC1 ZINC000659919208 567237960 /nfs/dbraw/zinc/23/79/60/567237960.db2.gz ARLOGVLGRJZTGP-GFCCVEGCSA-N 1 2 386.721 3.332 10 0 GGAELO O=C([C@@H]1CCC[N@H+](Cc2ncc(Br)cc2Cl)C1)N1CCCC1 ZINC000659919208 567237971 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ZINC000502361416 567429879 /nfs/dbraw/zinc/42/98/79/567429879.db2.gz PIAAOHSRKRTZFO-JKSUJKDBSA-N 1 2 385.961 3.138 10 0 GGAELO O=C(NCC[N@@H+]1CCc2c(Cl)cccc2C1)N[C@@H](C1CC1)C(F)(F)F ZINC000502383628 567431231 /nfs/dbraw/zinc/43/12/31/567431231.db2.gz CJFIFGZNHGAMMB-HNNXBMFYSA-N 1 2 375.822 3.338 10 0 GGAELO O=C(NCC[N@H+]1CCc2c(Cl)cccc2C1)N[C@@H](C1CC1)C(F)(F)F ZINC000502383628 567431237 /nfs/dbraw/zinc/43/12/37/567431237.db2.gz CJFIFGZNHGAMMB-HNNXBMFYSA-N 1 2 375.822 3.338 10 0 GGAELO CC1(C)C(=O)N[C@@H]1C1CC[NH+](Cc2ccc(Br)c(F)c2F)CC1 ZINC000528514700 567432046 /nfs/dbraw/zinc/43/20/46/567432046.db2.gz URYUKMUCSQNCSN-OAHLLOKOSA-N 1 2 387.268 3.464 10 0 GGAELO O=C(N[C@@H]1C[C@H](O)C12CCC2)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000619080219 567433506 /nfs/dbraw/zinc/43/35/06/567433506.db2.gz IYCWBFQIRCNHNC-IKGGRYGDSA-N 1 2 393.325 3.006 10 0 GGAELO O=[S@]1C[C@@H]2C[C@H]1C[N@H+]2Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000593685900 567434121 /nfs/dbraw/zinc/43/41/21/567434121.db2.gz BTSUBYIMAXXLFH-VUCVNMQBSA-N 1 2 383.336 3.278 10 0 GGAELO O=[S@]1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000593685900 567434128 /nfs/dbraw/zinc/43/41/28/567434128.db2.gz BTSUBYIMAXXLFH-VUCVNMQBSA-N 1 2 383.336 3.278 10 0 GGAELO O=C(c1sc2ncccc2c1Cl)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000528520390 567434304 /nfs/dbraw/zinc/43/43/04/567434304.db2.gz OTNWFVJLRFQNFJ-CYBMUJFWSA-N 1 2 379.913 3.277 10 0 GGAELO OC[C@H]1CCC2(CCOCC2)C[N@@H+]1Cc1cc(Br)cc(F)c1F ZINC000528641149 567444357 /nfs/dbraw/zinc/44/43/57/567444357.db2.gz SBASLZBURMWBFG-CQSZACIVSA-N 1 2 390.268 3.481 10 0 GGAELO OC[C@H]1CCC2(CCOCC2)C[N@H+]1Cc1cc(Br)cc(F)c1F ZINC000528641149 567444361 /nfs/dbraw/zinc/44/43/61/567444361.db2.gz SBASLZBURMWBFG-CQSZACIVSA-N 1 2 390.268 3.481 10 0 GGAELO OC[C@@H]1CCC2(CCOCC2)C[N@@H+]1Cc1cc(Br)cc(F)c1F ZINC000528641148 567445049 /nfs/dbraw/zinc/44/50/49/567445049.db2.gz SBASLZBURMWBFG-AWEZNQCLSA-N 1 2 390.268 3.481 10 0 GGAELO OC[C@@H]1CCC2(CCOCC2)C[N@H+]1Cc1cc(Br)cc(F)c1F ZINC000528641148 567445053 /nfs/dbraw/zinc/44/50/53/567445053.db2.gz SBASLZBURMWBFG-AWEZNQCLSA-N 1 2 390.268 3.481 10 0 GGAELO COC(=O)[C@@H](C)Oc1ccc(C[NH2+][C@@H](C)c2ncc(Br)cn2)cc1 ZINC000569949064 567446513 /nfs/dbraw/zinc/44/65/13/567446513.db2.gz MARGGYZYRTZYAG-NWDGAFQWSA-N 1 2 394.269 3.030 10 0 GGAELO Cc1n[nH]c(C(F)F)c1NC(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000662543542 567447796 /nfs/dbraw/zinc/44/77/96/567447796.db2.gz VUWKCJWQWMMFJE-UHFFFAOYSA-N 1 2 377.214 3.335 10 0 GGAELO O=C(NCC1CCC(O)CC1)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000619415176 567449304 /nfs/dbraw/zinc/44/93/04/567449304.db2.gz AXWODFPGADITEN-UYJHFMRCSA-N 1 2 395.341 3.253 10 0 GGAELO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@H]1C[C@@]1(C)Br ZINC000528701307 567449438 /nfs/dbraw/zinc/44/94/38/567449438.db2.gz MWXSGTWTXAIVNJ-CRAIPNDOSA-N 1 2 380.330 3.320 10 0 GGAELO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@@H]1C[C@]1(C)Br ZINC000528701316 567449993 /nfs/dbraw/zinc/44/99/93/567449993.db2.gz MWXSGTWTXAIVNJ-YJBOKZPZSA-N 1 2 380.330 3.320 10 0 GGAELO C[C@H](NC(=O)N[C@H]1CCc2c1ccc(Cl)c2Cl)[C@H](C)[NH+]1CCOCC1 ZINC000502767683 567450462 /nfs/dbraw/zinc/45/04/62/567450462.db2.gz PVXQGBPFWJHBGD-MKBNYLNASA-N 1 2 386.323 3.389 10 0 GGAELO COc1cc(C[NH2+]C(C)(C)C(F)F)cc(I)c1OC ZINC000619432070 567452358 /nfs/dbraw/zinc/45/23/58/567452358.db2.gz MLRNKTCHAAVTQE-UHFFFAOYSA-N 1 2 385.192 3.442 10 0 GGAELO Nc1cccc(CNC(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)c1 ZINC000662613210 567452594 /nfs/dbraw/zinc/45/25/94/567452594.db2.gz FYKYNUOHKCXEJA-SFHVURJKSA-N 1 2 388.309 3.485 10 0 GGAELO Nc1cccc(CNC(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)c1 ZINC000662613209 567452686 /nfs/dbraw/zinc/45/26/86/567452686.db2.gz FYKYNUOHKCXEJA-GOSISDBHSA-N 1 2 388.309 3.485 10 0 GGAELO Cc1cc(N[C@H](CO)c2ccc(Br)cc2)nc(-c2ccncc2)[nH+]1 ZINC000502799490 567453119 /nfs/dbraw/zinc/45/31/19/567453119.db2.gz MDCFSNLLWPCHRD-MRXNPFEDSA-N 1 2 385.265 3.177 10 0 GGAELO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]Cc1noc(Cc2ccc(Br)cc2)n1 ZINC000528756771 567453226 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C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000528789555 567456676 /nfs/dbraw/zinc/45/66/76/567456676.db2.gz UENXTNGAXUYSEB-MUDLARRYSA-N 1 2 375.321 3.306 10 0 GGAELO C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000528789555 567456680 /nfs/dbraw/zinc/45/66/80/567456680.db2.gz UENXTNGAXUYSEB-MUDLARRYSA-N 1 2 375.321 3.306 10 0 GGAELO C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000528787441 567456873 /nfs/dbraw/zinc/45/68/73/567456873.db2.gz MSKXDYGOBQHYCM-XMPIBTTJSA-N 1 2 375.321 3.306 10 0 GGAELO C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)[N@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000528787441 567456878 /nfs/dbraw/zinc/45/68/78/567456878.db2.gz MSKXDYGOBQHYCM-XMPIBTTJSA-N 1 2 375.321 3.306 10 0 GGAELO C[C@H](C(=O)Nc1cccc(Cl)c1Cl)[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000528784106 567457189 /nfs/dbraw/zinc/45/71/89/567457189.db2.gz JBFBSKLRAOXGNH-FQIIOQTKSA-N 1 2 375.321 3.306 10 0 GGAELO C[C@H](C(=O)Nc1cccc(Cl)c1Cl)[N@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000528784106 567457197 /nfs/dbraw/zinc/45/71/97/567457197.db2.gz JBFBSKLRAOXGNH-FQIIOQTKSA-N 1 2 375.321 3.306 10 0 GGAELO CC1(C)C[N@H+](CCNC(=O)N[C@H]2CCc3c2ccc(Cl)c3Cl)CCO1 ZINC000502848886 567457869 /nfs/dbraw/zinc/45/78/69/567457869.db2.gz KRCIKMXSFHUIHT-HNNXBMFYSA-N 1 2 386.323 3.391 10 0 GGAELO CC1(C)C[N@@H+](CCNC(=O)N[C@H]2CCc3c2ccc(Cl)c3Cl)CCO1 ZINC000502848886 567457870 /nfs/dbraw/zinc/45/78/70/567457870.db2.gz KRCIKMXSFHUIHT-HNNXBMFYSA-N 1 2 386.323 3.391 10 0 GGAELO C[C@]1(Br)C[C@H]1C(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000528804369 567458212 /nfs/dbraw/zinc/45/82/12/567458212.db2.gz MGHUDDXTHSDMPE-YJBOKZPZSA-N 1 2 376.298 3.306 10 0 GGAELO C[C@@H]([NH2+][C@H](C)c1ncc(Br)cn1)c1ccc(NS(C)(=O)=O)cc1 ZINC000550832293 567465190 /nfs/dbraw/zinc/46/51/90/567465190.db2.gz DRIVYTFDDKYUGT-GHMZBOCLSA-N 1 2 399.314 3.022 10 0 GGAELO C[C@@H]([NH2+][C@H](C)c1ncc(Br)cn1)c1cccc(N2CCOCC2)c1 ZINC000550832114 567465461 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C[C@H]1CCC[N@H+](Cc2csc(NC(=O)NCCOCC(F)(F)F)n2)C1 ZINC000642437529 567479732 /nfs/dbraw/zinc/47/97/32/567479732.db2.gz DTWDSKIEEOFLJI-NSHDSACASA-N 1 2 380.436 3.075 10 0 GGAELO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)NCCOCC(F)(F)F)n2)C1 ZINC000642437529 567479739 /nfs/dbraw/zinc/47/97/39/567479739.db2.gz DTWDSKIEEOFLJI-NSHDSACASA-N 1 2 380.436 3.075 10 0 GGAELO C[C@H](CC(F)(F)F)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000457680991 567482438 /nfs/dbraw/zinc/48/24/38/567482438.db2.gz FWQJWHKSRVGIPH-KCPJHIHWSA-N 1 2 378.822 3.416 10 0 GGAELO C[C@H](CC(F)(F)F)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000457680991 567482442 /nfs/dbraw/zinc/48/24/42/567482442.db2.gz FWQJWHKSRVGIPH-KCPJHIHWSA-N 1 2 378.822 3.416 10 0 GGAELO C[C@H](CC(F)(F)F)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000457680989 567482647 /nfs/dbraw/zinc/48/26/47/567482647.db2.gz FWQJWHKSRVGIPH-BYCMXARLSA-N 1 2 378.822 3.416 10 0 GGAELO C[C@H](CC(F)(F)F)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000457680989 567482653 /nfs/dbraw/zinc/48/26/53/567482653.db2.gz FWQJWHKSRVGIPH-BYCMXARLSA-N 1 2 378.822 3.416 10 0 GGAELO Cc1cc(CNC(=O)NCc2ccc[nH+]c2N(C)C)ccc1Br ZINC000457679325 567482825 /nfs/dbraw/zinc/48/28/25/567482825.db2.gz ADUBCWFGIFVOAJ-UHFFFAOYSA-N 1 2 377.286 3.218 10 0 GGAELO C[C@H](CC(F)(F)F)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000457680990 567482880 /nfs/dbraw/zinc/48/28/80/567482880.db2.gz FWQJWHKSRVGIPH-DFBGVHRSSA-N 1 2 378.822 3.416 10 0 GGAELO C[C@H](CC(F)(F)F)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000457680990 567482887 /nfs/dbraw/zinc/48/28/87/567482887.db2.gz FWQJWHKSRVGIPH-DFBGVHRSSA-N 1 2 378.822 3.416 10 0 GGAELO CCOC(=O)COCC[N@@H+]1CCSC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000570437945 567485370 /nfs/dbraw/zinc/48/53/70/567485370.db2.gz JBLKKEZGXWMAKA-HNNXBMFYSA-N 1 2 377.428 3.375 10 0 GGAELO CCOC(=O)COCC[N@H+]1CCSC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000570437945 567485376 /nfs/dbraw/zinc/48/53/76/567485376.db2.gz JBLKKEZGXWMAKA-HNNXBMFYSA-N 1 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/nfs/dbraw/zinc/48/88/89/567488889.db2.gz AGJYCVSCLLWJEZ-UHFFFAOYSA-N 1 2 384.224 3.399 10 0 GGAELO COc1cc(Cl)ccc1S(=O)(=O)N1C[C@@H](C)[NH2+]Cc2ccc(F)cc21 ZINC000643092582 567491386 /nfs/dbraw/zinc/49/13/86/567491386.db2.gz FCXBSLSMIYAUOK-LLVKDONJSA-N 1 2 384.860 3.175 10 0 GGAELO O[C@@H]1CC[N@H+](Cc2nc(Cc3cccc(Br)c3)no2)C2(CCC2)C1 ZINC000570560481 567495108 /nfs/dbraw/zinc/49/51/08/567495108.db2.gz SATLBDDGUCKJTB-OAHLLOKOSA-N 1 2 392.297 3.302 10 0 GGAELO O[C@@H]1CC[N@@H+](Cc2nc(Cc3cccc(Br)c3)no2)C2(CCC2)C1 ZINC000570560481 567495118 /nfs/dbraw/zinc/49/51/18/567495118.db2.gz SATLBDDGUCKJTB-OAHLLOKOSA-N 1 2 392.297 3.302 10 0 GGAELO CN1C(=O)N([C@H]2CCc3[nH+]c[nH]c3C2)C(=O)[C@@H]1c1cccc(Cl)c1Cl ZINC000663318764 567496171 /nfs/dbraw/zinc/49/61/71/567496171.db2.gz MQSSWMBSSIARNX-VFZGTOFNSA-N 1 2 379.247 3.209 10 0 GGAELO CN1C(=O)N([C@H]2CCc3[nH]c[nH+]c3C2)C(=O)[C@@H]1c1cccc(Cl)c1Cl ZINC000663318764 567496175 /nfs/dbraw/zinc/49/61/75/567496175.db2.gz MQSSWMBSSIARNX-VFZGTOFNSA-N 1 2 379.247 3.209 10 0 GGAELO Cn1c[nH+]c(CCNC(=O)CCCCOc2ccc(Br)cc2)c1 ZINC000457846085 567497413 /nfs/dbraw/zinc/49/74/13/567497413.db2.gz BRGAGJBNSYQNBK-UHFFFAOYSA-N 1 2 380.286 3.091 10 0 GGAELO C[C@@H](c1[nH+]ccn1C)N1C(=O)CN([C@@H](C)c2cccc(Br)c2)C1=O ZINC000663329454 567498092 /nfs/dbraw/zinc/49/80/92/567498092.db2.gz XXOIKWMGSVPTGB-RYUDHWBXSA-N 1 2 391.269 3.269 10 0 GGAELO O=S(=O)(c1cc(Cl)ccc1OC(F)F)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000643205370 567498167 /nfs/dbraw/zinc/49/81/67/567498167.db2.gz CGMBIMIMCUZFTI-GFCCVEGCSA-N 1 2 391.827 3.164 10 0 GGAELO C[C@H](c1cccc(Br)c1)N1CC(=O)N([C@@H](C)c2[nH+]ccn2C)C1=O ZINC000663329452 567498128 /nfs/dbraw/zinc/49/81/28/567498128.db2.gz XXOIKWMGSVPTGB-NEPJUHHUSA-N 1 2 391.269 3.269 10 0 GGAELO Cn1c[nH+]c(CCNC(=O)C2(c3ccc(Br)cc3)CCCC2)c1 ZINC000457880683 567501374 /nfs/dbraw/zinc/50/13/74/567501374.db2.gz KDEPDKWVAOLQIA-UHFFFAOYSA-N 1 2 376.298 3.353 10 0 GGAELO O=C(NC[C@H](c1cccs1)[NH+]1CCOCC1)[C@@H]1CC[C@@H](C(F)(F)F)C1 ZINC000503699929 567501796 /nfs/dbraw/zinc/50/17/96/567501796.db2.gz TUGGDNHHWZPCCY-MGPQQGTHSA-N 1 2 376.444 3.216 10 0 GGAELO CCS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2csc(N(C)C3CC3)n2)cc1 ZINC000551401709 567503217 /nfs/dbraw/zinc/50/32/17/567503217.db2.gz NNLDCEMQPJRVSU-ZDUSSCGKSA-N 1 2 379.551 3.386 10 0 GGAELO CC1(O)CCN(c2cc(NCc3cc(F)cc(Br)c3)[nH+]cn2)CC1 ZINC000663411896 567505591 /nfs/dbraw/zinc/50/55/91/567505591.db2.gz QYTGUONSNBUCRG-UHFFFAOYSA-N 1 2 395.276 3.342 10 0 GGAELO CC1(O)CCN(c2cc(NCc3cc(F)cc(Br)c3)nc[nH+]2)CC1 ZINC000663411896 567505598 /nfs/dbraw/zinc/50/55/98/567505598.db2.gz QYTGUONSNBUCRG-UHFFFAOYSA-N 1 2 395.276 3.342 10 0 GGAELO O=C(NCc1ccc(Cl)cc1Cl)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000663411131 567506198 /nfs/dbraw/zinc/50/61/98/567506198.db2.gz KIMKKMPRHAZQPG-UHFFFAOYSA-N 1 2 386.323 3.247 10 0 GGAELO O=S(=O)(CC1CC1)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000479183714 567512437 /nfs/dbraw/zinc/51/24/37/567512437.db2.gz FOFHMVSODSYWDG-GOSISDBHSA-N 1 2 376.547 3.177 10 0 GGAELO O=S(=O)(CC1CC1)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000479183714 567512443 /nfs/dbraw/zinc/51/24/43/567512443.db2.gz FOFHMVSODSYWDG-GOSISDBHSA-N 1 2 376.547 3.177 10 0 GGAELO CC[C@@H](Cc1ccc(Br)cc1)NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000620338137 567514630 /nfs/dbraw/zinc/51/46/30/567514630.db2.gz KZAKAKHJNOFEMM-HIFRSBDPSA-N 1 2 376.298 3.415 10 0 GGAELO CC[C@@H](Cc1ccc(Br)cc1)NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000620338137 567514631 /nfs/dbraw/zinc/51/46/31/567514631.db2.gz KZAKAKHJNOFEMM-HIFRSBDPSA-N 1 2 376.298 3.415 10 0 GGAELO NC(=O)C[C@@H]1CCCC[N@@H+]1Cc1ccc(I)cc1Cl ZINC000503956817 567514960 /nfs/dbraw/zinc/51/49/60/567514960.db2.gz BYDMTUAYANZASH-LBPRGKRZSA-N 1 2 392.668 3.175 10 0 GGAELO NC(=O)C[C@@H]1CCCC[N@H+]1Cc1ccc(I)cc1Cl ZINC000503956817 567514966 /nfs/dbraw/zinc/51/49/66/567514966.db2.gz BYDMTUAYANZASH-LBPRGKRZSA-N 1 2 392.668 3.175 10 0 GGAELO Cn1c[nH+]c(CCNC(=O)N2CCC(c3ccc(Br)cc3)CC2)c1 ZINC000570799722 567515579 /nfs/dbraw/zinc/51/55/79/567515579.db2.gz KQXUBHULHZGFAH-UHFFFAOYSA-N 1 2 391.313 3.314 10 0 GGAELO CCSc1ccc(Cl)cc1C(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000438066298 567517508 /nfs/dbraw/zinc/51/75/08/567517508.db2.gz PKSFJNZKNUAISV-UHFFFAOYSA-N 1 2 378.929 3.144 10 0 GGAELO O=C(Nc1cc(N2CCOCC2)c(Br)c[nH+]1)[C@H]1CCCC12CC2 ZINC000529474923 567518924 /nfs/dbraw/zinc/51/89/24/567518924.db2.gz XCQIQFRXDLVMNR-GFCCVEGCSA-N 1 2 380.286 3.200 10 0 GGAELO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1ccsc1Br ZINC000529518164 567522966 /nfs/dbraw/zinc/52/29/66/567522966.db2.gz AFOZNUATZCQVCV-JTQLQIEISA-N 1 2 389.340 3.351 10 0 GGAELO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)Cc1ccsc1Br ZINC000529518164 567522971 /nfs/dbraw/zinc/52/29/71/567522971.db2.gz AFOZNUATZCQVCV-JTQLQIEISA-N 1 2 389.340 3.351 10 0 GGAELO O=c1cc(N2CC[NH+](Cc3ccc(Br)cc3)CC2)c2ncccc2[nH]1 ZINC000663722710 567523628 /nfs/dbraw/zinc/52/36/28/567523628.db2.gz KVMYJJPQCYIUBW-UHFFFAOYSA-N 1 2 399.292 3.420 10 0 GGAELO Cn1c[nH+]c(CCNC(=O)N2CCC[C@@H]2c2ccc(Br)cc2)c1 ZINC000570925004 567524442 /nfs/dbraw/zinc/52/44/42/567524442.db2.gz VJFPXHLVTSVQNE-MRXNPFEDSA-N 1 2 377.286 3.272 10 0 GGAELO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)Cc1ccsc1Br ZINC000529526131 567526173 /nfs/dbraw/zinc/52/61/73/567526173.db2.gz RRAKCMAESIKXMA-JTQLQIEISA-N 1 2 389.340 3.351 10 0 GGAELO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)Cc1ccsc1Br ZINC000529526131 567526176 /nfs/dbraw/zinc/52/61/76/567526176.db2.gz RRAKCMAESIKXMA-JTQLQIEISA-N 1 2 389.340 3.351 10 0 GGAELO C[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000479336728 567526319 /nfs/dbraw/zinc/52/63/19/567526319.db2.gz WDWSXGFVTGTKGY-SJORKVTESA-N 1 2 386.851 3.342 10 0 GGAELO C[N@H+]1CC[C@@H](NS(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000479336728 567526322 /nfs/dbraw/zinc/52/63/22/567526322.db2.gz WDWSXGFVTGTKGY-SJORKVTESA-N 1 2 386.851 3.342 10 0 GGAELO CC(C)[C@@H](C)NC(=O)C1CC[NH+](Cc2ncc(Br)cc2F)CC1 ZINC000529533345 567527209 /nfs/dbraw/zinc/52/72/09/567527209.db2.gz XGMXWECINATBKO-GFCCVEGCSA-N 1 2 386.309 3.356 10 0 GGAELO CC(C)Oc1cc(Cl)c(C[N@@H+]2CCC[C@@H]2CS(N)(=O)=O)cc1Cl ZINC000529533020 567528002 /nfs/dbraw/zinc/52/80/02/567528002.db2.gz LPQSCWXLHXZGJP-GFCCVEGCSA-N 1 2 381.325 3.034 10 0 GGAELO CC(C)Oc1cc(Cl)c(C[N@H+]2CCC[C@@H]2CS(N)(=O)=O)cc1Cl ZINC000529533020 567528004 /nfs/dbraw/zinc/52/80/04/567528004.db2.gz LPQSCWXLHXZGJP-GFCCVEGCSA-N 1 2 381.325 3.034 10 0 GGAELO Clc1ccc(I)c(C[NH2+]Cc2cnc3n2CCC3)c1 ZINC000594956219 567529553 /nfs/dbraw/zinc/52/95/53/567529553.db2.gz IHTUZMDWUXACAG-UHFFFAOYSA-N 1 2 387.652 3.377 10 0 GGAELO CC(C)Oc1cc(Cl)c(C[NH+]2CCC(S(N)(=O)=O)CC2)cc1Cl ZINC000529556848 567531147 /nfs/dbraw/zinc/53/11/47/567531147.db2.gz QDNNHTSMPIQXLJ-UHFFFAOYSA-N 1 2 381.325 3.034 10 0 GGAELO Brc1ccc(-c2n[nH]cc2C[N@@H+]2CCO[C@]3(CCCOC3)C2)s1 ZINC000529563831 567531870 /nfs/dbraw/zinc/53/18/70/567531870.db2.gz BMDLWVPKLDSQGW-MRXNPFEDSA-N 1 2 398.326 3.282 10 0 GGAELO Brc1ccc(-c2n[nH]cc2C[N@H+]2CCO[C@]3(CCCOC3)C2)s1 ZINC000529563831 567531876 /nfs/dbraw/zinc/53/18/76/567531876.db2.gz BMDLWVPKLDSQGW-MRXNPFEDSA-N 1 2 398.326 3.282 10 0 GGAELO C[C@@H](NCc1c(F)ccc(I)c1F)c1[nH+]ccn1C ZINC000594995989 567532677 /nfs/dbraw/zinc/53/26/77/567532677.db2.gz PSVRWGXBOWOXTM-MRVPVSSYSA-N 1 2 377.176 3.154 10 0 GGAELO O=C(NCCCCn1cc[nH+]c1)C(=O)Nc1cc(Cl)c(Cl)c(Cl)c1 ZINC000571051976 567533056 /nfs/dbraw/zinc/53/30/56/567533056.db2.gz GMUZXVLUJACTPH-UHFFFAOYSA-N 1 2 389.670 3.378 10 0 GGAELO Cc1ccc2c(c1Br)CN(C(=O)[C@H]1COCC[N@@H+]1C1CCCC1)C2 ZINC000620653976 567533872 /nfs/dbraw/zinc/53/38/72/567533872.db2.gz YMERUCVLDSUNLH-QGZVFWFLSA-N 1 2 393.325 3.243 10 0 GGAELO Cc1ccc2c(c1Br)CN(C(=O)[C@H]1COCC[N@H+]1C1CCCC1)C2 ZINC000620653976 567533876 /nfs/dbraw/zinc/53/38/76/567533876.db2.gz YMERUCVLDSUNLH-QGZVFWFLSA-N 1 2 393.325 3.243 10 0 GGAELO C[C@H]([NH2+][C@H](CO)c1ccsc1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479456544 567537821 /nfs/dbraw/zinc/53/78/21/567537821.db2.gz PVTCOAFPNGJORJ-ISVAXAHUSA-N 1 2 395.333 3.087 10 0 GGAELO Cc1c(Br)cc(C[N@@H+]2C[C@H](O)C3(CC3)C2)cc1Br ZINC000551805756 567538128 /nfs/dbraw/zinc/53/81/28/567538128.db2.gz JRAWDBCBFQSNLF-ZDUSSCGKSA-N 1 2 375.104 3.477 10 0 GGAELO Cc1c(Br)cc(C[N@H+]2C[C@H](O)C3(CC3)C2)cc1Br ZINC000551805756 567538134 /nfs/dbraw/zinc/53/81/34/567538134.db2.gz JRAWDBCBFQSNLF-ZDUSSCGKSA-N 1 2 375.104 3.477 10 0 GGAELO Cc1cc(Br)c(C[N@@H+](C)[C@@]2(CO)CCOC2)cc1Br ZINC000529630842 567538358 /nfs/dbraw/zinc/53/83/58/567538358.db2.gz RDTXYEDRYCTXFY-CQSZACIVSA-N 1 2 393.119 3.103 10 0 GGAELO Cc1cc(Br)c(C[N@H+](C)[C@@]2(CO)CCOC2)cc1Br ZINC000529630842 567538362 /nfs/dbraw/zinc/53/83/62/567538362.db2.gz RDTXYEDRYCTXFY-CQSZACIVSA-N 1 2 393.119 3.103 10 0 GGAELO C[C@@H]([NH2+]Cc1nn(C)cc1I)c1cc2cnccc2o1 ZINC000595054167 567538884 /nfs/dbraw/zinc/53/88/84/567538884.db2.gz YNRLOTPGKGQSOX-SECBINFHSA-N 1 2 382.205 3.017 10 0 GGAELO CCc1ccc(S(=O)(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)s1 ZINC000479490791 567539107 /nfs/dbraw/zinc/53/91/07/567539107.db2.gz 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ZINC000551921895 567543145 /nfs/dbraw/zinc/54/31/45/567543145.db2.gz HOTUVJDTFDCQMQ-KOLCDFICSA-N 1 2 398.688 3.267 10 0 GGAELO Cc1nc(N2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)c(Br)c(C)[nH+]1 ZINC000663954834 567544289 /nfs/dbraw/zinc/54/42/89/567544289.db2.gz CWGZMAVGVQMMFG-YOEHRIQHSA-N 1 2 380.261 3.160 10 0 GGAELO CC1(C)OCC[C@H]1Nc1nc[nH+]c(N[C@H]2CCOC2(C)C)c1Br ZINC000663955954 567544665 /nfs/dbraw/zinc/54/46/65/567544665.db2.gz WGKIIZCGHMZIGI-PHIMTYICSA-N 1 2 385.306 3.198 10 0 GGAELO CC1(C)OCC[C@H]1Nc1[nH+]cnc(N[C@H]2CCOC2(C)C)c1Br ZINC000663955954 567544670 /nfs/dbraw/zinc/54/46/70/567544670.db2.gz WGKIIZCGHMZIGI-PHIMTYICSA-N 1 2 385.306 3.198 10 0 GGAELO Cc1nc(NCCc2cnc3c(Cl)cnn3c2)c(Br)c(C)[nH+]1 ZINC000663946317 567544819 /nfs/dbraw/zinc/54/48/19/567544819.db2.gz NPVNUHSULJLEKE-UHFFFAOYSA-N 1 2 381.665 3.207 10 0 GGAELO Cc1nc(N2CCN(CC(F)(F)F)C[C@@H](C)C2)c(Br)c(C)[nH+]1 ZINC000663980331 567546401 /nfs/dbraw/zinc/54/64/01/567546401.db2.gz OTQMLOLCJNIQAU-SECBINFHSA-N 1 2 381.240 3.176 10 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C[C@@H]1CN(c2ccc(CNc3cc(Br)ccn3)c[nH+]2)C[C@@H](C)O1 ZINC000480083125 567580490 /nfs/dbraw/zinc/58/04/90/567580490.db2.gz NQSHOZJFHJQJKT-CHWSQXEVSA-N 1 2 377.286 3.465 10 0 GGAELO C[C@H](F)CCNC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000458870655 567580736 /nfs/dbraw/zinc/58/07/36/567580736.db2.gz DTTLRNSYXGPNAZ-LBPRGKRZSA-N 1 2 387.253 3.199 10 0 GGAELO COc1ccc(C[NH2+][C@H]2CS(=O)(=O)Cc3ccccc32)c(Br)c1 ZINC000621353182 567581792 /nfs/dbraw/zinc/58/17/92/567581792.db2.gz NBRLLPYZVRTKBB-KRWDZBQOSA-N 1 2 396.306 3.217 10 0 GGAELO Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+]1CC[C@@H]2CN(C)C[C@@H]21 ZINC000644840327 567581773 /nfs/dbraw/zinc/58/17/73/567581773.db2.gz KHCQDWGLKRSAPR-KDOFPFPSSA-N 1 2 375.314 3.079 10 0 GGAELO Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1CC[C@@H]2CN(C)C[C@@H]21 ZINC000644840327 567581780 /nfs/dbraw/zinc/58/17/80/567581780.db2.gz KHCQDWGLKRSAPR-KDOFPFPSSA-N 1 2 375.314 3.079 10 0 GGAELO COC(=O)[C@@](C)(CCF)[NH2+]CCCc1ccc(Br)cc1OC ZINC000595775153 567581935 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CC[C@H]1C[N@H+](Cc2ccc(C(=O)OC)cc2Br)C[C@@]2(CCOC2)O1 ZINC000571887586 567596353 /nfs/dbraw/zinc/59/63/53/567596353.db2.gz DMZCNTQYJWCZOK-MAUKXSAKSA-N 1 2 398.297 3.006 10 0 GGAELO CC[C@H]1C[N@@H+](Cc2ccc(C(=O)OC)cc2Br)C[C@@]2(CCOC2)O1 ZINC000571887586 567596358 /nfs/dbraw/zinc/59/63/58/567596358.db2.gz DMZCNTQYJWCZOK-MAUKXSAKSA-N 1 2 398.297 3.006 10 0 GGAELO CC[C@@H]1C[N@H+](Cc2ccc(C(=O)OC)cc2Br)C[C@]2(CCOC2)O1 ZINC000571887587 567596672 /nfs/dbraw/zinc/59/66/72/567596672.db2.gz DMZCNTQYJWCZOK-QAPCUYQASA-N 1 2 398.297 3.006 10 0 GGAELO CC[C@@H]1C[N@@H+](Cc2ccc(C(=O)OC)cc2Br)C[C@]2(CCOC2)O1 ZINC000571887587 567596675 /nfs/dbraw/zinc/59/66/75/567596675.db2.gz DMZCNTQYJWCZOK-QAPCUYQASA-N 1 2 398.297 3.006 10 0 GGAELO C[C@@H]([NH2+]CC(=O)N1c2ccccc2CC[C@H]1C)c1ncc(Br)cn1 ZINC000645017342 567599624 /nfs/dbraw/zinc/59/96/24/567599624.db2.gz KYQDSOWUPVUIMO-CHWSQXEVSA-N 1 2 389.297 3.258 10 0 GGAELO CCn1cc[nH+]c1[C@@H](C)NC(=O)Nc1cnc2c(Br)cccn12 ZINC000645009496 567599859 /nfs/dbraw/zinc/59/98/59/567599859.db2.gz SPNSRKISCNQHIT-SNVBAGLBSA-N 1 2 377.246 3.196 10 0 GGAELO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)N1CC(Oc2cccc(Cl)c2Cl)C1 ZINC000664925859 567600446 /nfs/dbraw/zinc/60/04/46/567600446.db2.gz DOZPNLMNBMCEIA-SNVBAGLBSA-N 1 2 381.263 3.047 10 0 GGAELO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)N1CC(Oc2cccc(Cl)c2Cl)C1 ZINC000664925859 567600449 /nfs/dbraw/zinc/60/04/49/567600449.db2.gz DOZPNLMNBMCEIA-SNVBAGLBSA-N 1 2 381.263 3.047 10 0 GGAELO Cc1nc([C@](C)(NCc2cn3cc(Br)ccc3[nH+]2)C2CC2)no1 ZINC000645024127 567601570 /nfs/dbraw/zinc/60/15/70/567601570.db2.gz UAJVMYCRKCWFQX-MRXNPFEDSA-N 1 2 376.258 3.203 10 0 GGAELO Cc1cc(CC(C)(C)NC(=O)NCCc2cn(C)c[nH+]2)ccc1Br ZINC000459156966 567603711 /nfs/dbraw/zinc/60/37/11/567603711.db2.gz XMIIUGMKOFPNRZ-UHFFFAOYSA-N 1 2 393.329 3.354 10 0 GGAELO CC[C@H](Cc1ccccc1Br)N(C)C(=O)NCCc1cn(C)c[nH+]1 ZINC000459157780 567603881 /nfs/dbraw/zinc/60/38/81/567603881.db2.gz YISPCXZZOXVJHV-MRXNPFEDSA-N 1 2 393.329 3.388 10 0 GGAELO CC[C@@H](Cc1ccccc1Br)N(C)C(=O)NCCc1cn(C)c[nH+]1 ZINC000459157779 567603951 /nfs/dbraw/zinc/60/39/51/567603951.db2.gz YISPCXZZOXVJHV-INIZCTEOSA-N 1 2 393.329 3.388 10 0 GGAELO COc1ccc(Br)cc1C1(NC(=O)NCCCn2cc[nH+]c2)CC1 ZINC000645099506 567605504 /nfs/dbraw/zinc/60/55/04/567605504.db2.gz JAXUTVKQYANDTF-UHFFFAOYSA-N 1 2 393.285 3.033 10 0 GGAELO CCN(Cc1cc(Br)ccc1F)C(=O)NCCc1cn(C)c[nH+]1 ZINC000459182401 567605694 /nfs/dbraw/zinc/60/56/94/567605694.db2.gz QCKBICMANRSINZ-UHFFFAOYSA-N 1 2 383.265 3.096 10 0 GGAELO COC(=O)Cc1cc[nH+]c(N(C)CCOc2ccc(Br)cc2)c1 ZINC000596056168 567605929 /nfs/dbraw/zinc/60/59/29/567605929.db2.gz YPQLVODLFMDBBK-UHFFFAOYSA-N 1 2 379.254 3.075 10 0 GGAELO CCOc1cc(C[NH2+][C@@H]2CS(=O)(=O)Cc3ccccc32)cc(Cl)c1O ZINC000621735149 567607122 /nfs/dbraw/zinc/60/71/22/567607122.db2.gz BTEOEKWJAICTCF-MRXNPFEDSA-N 1 2 381.881 3.204 10 0 GGAELO C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@H+](C)Cc1cnc(N(C)C)nc1 ZINC000506029807 567607781 /nfs/dbraw/zinc/60/77/81/567607781.db2.gz DQUZLQWDTPPPBT-LLVKDONJSA-N 1 2 382.295 3.308 10 0 GGAELO C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@@H+](C)Cc1cnc(N(C)C)nc1 ZINC000506029807 567607782 /nfs/dbraw/zinc/60/77/82/567607782.db2.gz DQUZLQWDTPPPBT-LLVKDONJSA-N 1 2 382.295 3.308 10 0 GGAELO CN(C)c1cc(Cl)cc(Cl)c1CN1CCN(Cc2[nH+]ccn2C)CC1 ZINC000572055503 567609566 /nfs/dbraw/zinc/60/95/66/567609566.db2.gz WOPZYKZYTFOJCC-UHFFFAOYSA-N 1 2 382.339 3.111 10 0 GGAELO NC(=O)[C@H]1CCCC[N@@H+]1Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000506086922 567609792 /nfs/dbraw/zinc/60/97/92/567609792.db2.gz UYYZMGZOCZGOQW-CQSZACIVSA-N 1 2 380.311 3.412 10 0 GGAELO NC(=O)[C@H]1CCCC[N@H+]1Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000506086922 567609798 /nfs/dbraw/zinc/60/97/98/567609798.db2.gz UYYZMGZOCZGOQW-CQSZACIVSA-N 1 2 380.311 3.412 10 0 GGAELO COC(=O)Cc1cc[nH+]c(N[C@@H]2CCN(c3ccc(Br)cc3)C2)c1 ZINC000596111932 567609827 /nfs/dbraw/zinc/60/98/27/567609827.db2.gz DTLSSBWYALSJOZ-OAHLLOKOSA-N 1 2 390.281 3.250 10 0 GGAELO COC(=O)Cc1cc[nH+]c(N[C@H]2CCN(c3ccccc3Br)C2)c1 ZINC000596123927 567610135 /nfs/dbraw/zinc/61/01/35/567610135.db2.gz SPZZJDVUKIWNKB-AWEZNQCLSA-N 1 2 390.281 3.250 10 0 GGAELO CC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ncc(Br)cn2)c2ccccc21 ZINC000621762800 567610110 /nfs/dbraw/zinc/61/01/10/567610110.db2.gz KWBRTCCZKOPYSW-XHDPSFHLSA-N 1 2 375.270 3.388 10 0 GGAELO COCCO[C@@H]1COCC[C@@H]1[NH2+][C@H](c1ccc(Br)cc1)C(F)F ZINC000621760631 567610622 /nfs/dbraw/zinc/61/06/22/567610622.db2.gz OVIQWKYGAGKVRM-RRFJBIMHSA-N 1 2 394.256 3.165 10 0 GGAELO O=C([C@H]1C[C@@H]1C(F)F)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000552806537 567610582 /nfs/dbraw/zinc/61/05/82/567610582.db2.gz GKBMYHQGVPUNPM-RYUDHWBXSA-N 1 2 388.212 3.169 10 0 GGAELO O=C([C@H]1CCC[N@@H+](Cc2nc3ccc(Br)cc3[nH]2)C1)N1CCCC1 ZINC000480535910 567611208 /nfs/dbraw/zinc/61/12/08/567611208.db2.gz AKBWROXDUBPYTM-ZDUSSCGKSA-N 1 2 391.313 3.160 10 0 GGAELO O=C([C@H]1CCC[N@H+](Cc2nc3ccc(Br)cc3[nH]2)C1)N1CCCC1 ZINC000480535910 567611214 /nfs/dbraw/zinc/61/12/14/567611214.db2.gz AKBWROXDUBPYTM-ZDUSSCGKSA-N 1 2 391.313 3.160 10 0 GGAELO CNC(=O)Cc1nc(C[NH2+][C@H](C)c2ccc(F)c(Br)c2)cs1 ZINC000645197018 567611935 /nfs/dbraw/zinc/61/19/35/567611935.db2.gz XDSMGXMATOCQLO-SECBINFHSA-N 1 2 386.290 3.184 10 0 GGAELO COC(=O)Cc1cc[nH+]c(NC[C@@H](C)Oc2ccc(Br)cc2)c1 ZINC000596141744 567611957 /nfs/dbraw/zinc/61/19/57/567611957.db2.gz JYVKBFLWZQDWLO-GFCCVEGCSA-N 1 2 379.254 3.439 10 0 GGAELO O=S(=O)(CCc1ccccc1)Cc1cn2cc(Br)ccc2[nH+]1 ZINC000552825769 567612449 /nfs/dbraw/zinc/61/24/49/567612449.db2.gz SUTWMRIJLBSFEJ-UHFFFAOYSA-N 1 2 379.279 3.254 10 0 GGAELO C[C@H]1C[C@H](NS(=O)(=O)c2cccc(Br)c2Cl)c2[nH+]ccn21 ZINC000572091480 567612655 /nfs/dbraw/zinc/61/26/55/567612655.db2.gz IEFJDZHIPCGDRB-WPRPVWTQSA-N 1 2 390.690 3.283 10 0 GGAELO CC(C)Cn1cc[nH+]c1CNC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1F ZINC000440051087 567613154 /nfs/dbraw/zinc/61/31/54/567613154.db2.gz LZNIPQYLMRAIAG-UHFFFAOYSA-N 1 2 387.242 3.240 10 0 GGAELO CC(C)(C(=O)N1CCO[C@H](c2cccc(Br)c2)C1)c1c[nH+]c[nH]1 ZINC000621811252 567613907 /nfs/dbraw/zinc/61/39/07/567613907.db2.gz MQYRPWTYFIEIKQ-AWEZNQCLSA-N 1 2 378.270 3.050 10 0 GGAELO Cc1cc(Br)cc(Cl)c1C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000480598547 567614833 /nfs/dbraw/zinc/61/48/33/567614833.db2.gz TVZFHNVERVEMAF-RYUDHWBXSA-N 1 2 389.721 3.250 10 0 GGAELO COC(=O)Cc1cc[nH+]c(N2CCN(c3c(Cl)cccc3Cl)CC2)c1 ZINC000596198358 567615931 /nfs/dbraw/zinc/61/59/31/567615931.db2.gz ZIRDRJNECDDLHS-UHFFFAOYSA-N 1 2 380.275 3.431 10 0 GGAELO COC(=O)Cc1cc[nH+]c(N[C@H]2CCN(c3cccc(Br)c3)C2)c1 ZINC000596214599 567616196 /nfs/dbraw/zinc/61/61/96/567616196.db2.gz WZGTVWQLHLSONG-HNNXBMFYSA-N 1 2 390.281 3.250 10 0 GGAELO CCOc1cc(C[N@@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)cc(Br)c1O ZINC000459338948 567616232 /nfs/dbraw/zinc/61/62/32/567616232.db2.gz SLWMHTBBRTYDEI-SMDDNHRTSA-N 1 2 398.219 3.441 10 0 GGAELO CCOc1cc(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)C2)cc(Br)c1O ZINC000459350880 567616501 /nfs/dbraw/zinc/61/65/01/567616501.db2.gz TTYKAIIIRXVKQI-AWEZNQCLSA-N 1 2 398.219 3.443 10 0 GGAELO CCOc1cc(C[N@@H+]2CCC[C@](O)(C(F)(F)F)C2)cc(Br)c1O ZINC000459350882 567616571 /nfs/dbraw/zinc/61/65/71/567616571.db2.gz TTYKAIIIRXVKQI-CQSZACIVSA-N 1 2 398.219 3.443 10 0 GGAELO CC[C@H](c1ccc(Br)cc1)[NH+]1CCN(Cc2cnnn2CC)CC1 ZINC000459349334 567617204 /nfs/dbraw/zinc/61/72/04/567617204.db2.gz ZKTFMLXSIAFFDI-GOSISDBHSA-N 1 2 392.345 3.329 10 0 GGAELO Cc1cc(Br)cn2cc(CCNC(=O)N[C@@H]3CC[C@H]4C[C@H]4C3)[nH+]c12 ZINC000645317568 567617881 /nfs/dbraw/zinc/61/78/81/567617881.db2.gz OOAMJCJFXSZASG-KCQAQPDRSA-N 1 2 391.313 3.436 10 0 GGAELO COCCN1CC[NH+](Cc2cnc(-c3ccc(Br)cc3)s2)CC1 ZINC000506262756 567618730 /nfs/dbraw/zinc/61/87/30/567618730.db2.gz QQHARTHFCDXDTK-UHFFFAOYSA-N 1 2 396.354 3.337 10 0 GGAELO COC(=O)Cc1cc[nH+]c(N2CCC[C@H]2c2ccc(Br)cn2)c1 ZINC000596260865 567620444 /nfs/dbraw/zinc/62/04/44/567620444.db2.gz MSTRJMSBUWOGDJ-HNNXBMFYSA-N 1 2 376.254 3.296 10 0 GGAELO O=C(COc1ccc(F)cc1Br)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000530719309 567620628 /nfs/dbraw/zinc/62/06/28/567620628.db2.gz NPQKAMMUZFESOX-UHFFFAOYSA-N 1 2 382.233 3.096 10 0 GGAELO O=C(COc1ccc(F)cc1Br)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000530719309 567620634 /nfs/dbraw/zinc/62/06/34/567620634.db2.gz NPQKAMMUZFESOX-UHFFFAOYSA-N 1 2 382.233 3.096 10 0 GGAELO Cc1c(Br)cncc1C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000665445163 567625014 /nfs/dbraw/zinc/62/50/14/567625014.db2.gz JSYFAQQNIDMUSG-UHFFFAOYSA-N 1 2 390.281 3.237 10 0 GGAELO OCC1CCN(c2[nH+]cccc2NCc2cccc(O)c2Br)CC1 ZINC000459457775 567625074 /nfs/dbraw/zinc/62/50/74/567625074.db2.gz PWAQJVKENJDICJ-UHFFFAOYSA-N 1 2 392.297 3.371 10 0 GGAELO CC[C@@H](C)NC(=O)C[N@@H+]1CCC[C@H]1c1ccccc1I ZINC000506469643 567626280 /nfs/dbraw/zinc/62/62/80/567626280.db2.gz JAUGQEBGXUUDKD-DOMZBBRYSA-N 1 2 386.277 3.343 10 0 GGAELO CC[C@@H](C)NC(=O)C[N@H+]1CCC[C@H]1c1ccccc1I ZINC000506469643 567626282 /nfs/dbraw/zinc/62/62/82/567626282.db2.gz JAUGQEBGXUUDKD-DOMZBBRYSA-N 1 2 386.277 3.343 10 0 GGAELO CN(Cc1[nH+]ccn1C)C(=O)c1cc(Br)cc(N2CCCC2)c1 ZINC000665473735 567626456 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/nfs/dbraw/zinc/26/44/71/570264471.db2.gz NQPBRMZCKXGMGJ-UHFFFAOYSA-N 1 2 380.448 3.134 10 0 GGAELO Cc1ccccc1N1CC[NH+](Cc2ccc(C(=O)NCc3ccncc3)o2)CC1 ZINC000034684171 570301381 /nfs/dbraw/zinc/30/13/81/570301381.db2.gz ODQKFFFBDXFZRB-UHFFFAOYSA-N 1 2 390.487 3.235 10 0 GGAELO Cc1ccccc1N1CC[NH+](Cc2ccc(C(=O)NCc3ccco3)o2)CC1 ZINC000034684174 570301394 /nfs/dbraw/zinc/30/13/94/570301394.db2.gz BNEUAVGFYPDRSO-UHFFFAOYSA-N 1 2 379.460 3.433 10 0 GGAELO CCOC(=O)Nc1cccc(C(=O)N2CC[NH+](Cc3ccc(OC)cc3)CC2)c1 ZINC000022239317 570309914 /nfs/dbraw/zinc/30/99/14/570309914.db2.gz WMTUEZMNYYJKMC-UHFFFAOYSA-N 1 2 397.475 3.222 10 0 GGAELO COc1cc(C)c(C[NH+]2CCN([C@H](C)C(=O)Nc3ccccc3)CC2)cc1OC ZINC000022783772 570327502 /nfs/dbraw/zinc/32/75/02/570327502.db2.gz KVUGHNHKRXPXRM-GOSISDBHSA-N 1 2 397.519 3.157 10 0 GGAELO C[C@@H](NC(=O)[C@H](C)[NH+]1CCN(Cc2ccccc2F)CC1)c1ccc(F)cc1 ZINC000022787126 570327833 /nfs/dbraw/zinc/32/78/33/570327833.db2.gz RCMJEUSVQNWVSC-SJORKVTESA-N 1 2 387.474 3.348 10 0 GGAELO C[C@@H](NC(=O)[C@H](C)N1CC[NH+](Cc2ccccc2F)CC1)c1ccc(F)cc1 ZINC000022787126 570327834 /nfs/dbraw/zinc/32/78/34/570327834.db2.gz RCMJEUSVQNWVSC-SJORKVTESA-N 1 2 387.474 3.348 10 0 GGAELO CCCn1c2ccccc2[nH+]c1N1CCC(C(=O)NCc2cccnc2)CC1 ZINC000034906619 570339359 /nfs/dbraw/zinc/33/93/59/570339359.db2.gz WFUGTWSJYBLRQP-UHFFFAOYSA-N 1 2 377.492 3.374 10 0 GGAELO COCCCNC(=O)[C@@H]1CCCN(c2[nH+]c3ccccc3n2CCC(C)C)C1 ZINC000034906813 570339487 /nfs/dbraw/zinc/33/94/87/570339487.db2.gz UPDOIUBXKZNSSQ-GOSISDBHSA-N 1 2 386.540 3.452 10 0 GGAELO O=C(C[N@H+]1CC=C(c2cnn(-c3ccc(F)cc3)c2)CC1)NCc1ccccc1 ZINC000035404456 570351450 /nfs/dbraw/zinc/35/14/50/570351450.db2.gz YJXUZOAAYALPAR-UHFFFAOYSA-N 1 2 390.462 3.417 10 0 GGAELO O=C(C[N@@H+]1CC=C(c2cnn(-c3ccc(F)cc3)c2)CC1)NCc1ccccc1 ZINC000035404456 570351451 /nfs/dbraw/zinc/35/14/51/570351451.db2.gz YJXUZOAAYALPAR-UHFFFAOYSA-N 1 2 390.462 3.417 10 0 GGAELO c1c(C[NH+]2CCOCC2)c(-c2ccc3c(c2)OCCO3)nn1-c1ccccc1 ZINC000023424828 570362063 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ZINC000026303286 570424245 /nfs/dbraw/zinc/42/42/45/570424245.db2.gz CWUAYCDQMLQHSR-OAHLLOKOSA-N 1 2 384.480 3.259 10 0 GGAELO COc1ccc(OC)c([C@H](C)NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)c1 ZINC000026303291 570424443 /nfs/dbraw/zinc/42/44/43/570424443.db2.gz CWUAYCDQMLQHSR-HNNXBMFYSA-N 1 2 384.480 3.259 10 0 GGAELO COc1ccc(N2C(=O)C[C@H]([N@H+](C)Cc3ccc([C@H]4C[C@H]4C)o3)C2=O)c(OC)c1 ZINC000248149892 570443772 /nfs/dbraw/zinc/44/37/72/570443772.db2.gz XALMLCWFWFSLEF-SKDZVZGDSA-N 1 2 398.459 3.184 10 0 GGAELO COc1ccc(N2C(=O)C[C@H]([N@@H+](C)Cc3ccc([C@H]4C[C@H]4C)o3)C2=O)c(OC)c1 ZINC000248149892 570443775 /nfs/dbraw/zinc/44/37/75/570443775.db2.gz XALMLCWFWFSLEF-SKDZVZGDSA-N 1 2 398.459 3.184 10 0 GGAELO Cc1cccc(N2CC[NH+](CC(=O)NC3CCC(C(F)(F)F)CC3)CC2)c1 ZINC000027879050 570444840 /nfs/dbraw/zinc/44/48/40/570444840.db2.gz HLHVUQKHWGSAHR-UHFFFAOYSA-N 1 2 383.458 3.354 10 0 GGAELO Cc1cccc(N2CC[NH+](CC(=O)N[C@@H]3CCC[C@@H](C(F)(F)F)C3)CC2)c1 ZINC000027878030 570444875 /nfs/dbraw/zinc/44/48/75/570444875.db2.gz ASELEPBPLPNDRM-IAGOWNOFSA-N 1 2 383.458 3.354 10 0 GGAELO COc1ccc(OCc2noc(C[N@H+](C)CCOc3cccc(C)c3)n2)cc1 ZINC000028635108 570461967 /nfs/dbraw/zinc/46/19/67/570461967.db2.gz ILAPXGWIOZINDW-UHFFFAOYSA-N 1 2 383.448 3.476 10 0 GGAELO COc1ccc(OCc2noc(C[N@@H+](C)CCOc3cccc(C)c3)n2)cc1 ZINC000028635108 570461972 /nfs/dbraw/zinc/46/19/72/570461972.db2.gz ILAPXGWIOZINDW-UHFFFAOYSA-N 1 2 383.448 3.476 10 0 GGAELO O=C1C=C(N2CCC(c3[nH]c4ccccc4[nH+]3)CC2)C(=O)N1c1ccc(F)cc1 ZINC000006188398 570471515 /nfs/dbraw/zinc/47/15/15/570471515.db2.gz NHAAQAHKNBDTJX-UHFFFAOYSA-N 1 2 390.418 3.339 10 0 GGAELO C[C@H](C(=O)N(C)c1ccccc1)[NH+]1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000006578869 570481532 /nfs/dbraw/zinc/48/15/32/570481532.db2.gz BZHOMEFJOSJTHO-OAHLLOKOSA-N 1 2 392.425 3.274 10 0 GGAELO O=C(C[C@@H]1Sc2ccccc2NC1=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000030220275 570487414 /nfs/dbraw/zinc/48/74/14/570487414.db2.gz TUOICYXKJYXGCP-IBGZPJMESA-N 1 2 392.484 3.051 10 0 GGAELO COc1ccc(CC[N@H+](C)CCS(=O)(=O)c2ccc(Cl)cc2)cc1OC ZINC000030537471 570490760 /nfs/dbraw/zinc/49/07/60/570490760.db2.gz FUMDIIOSOGRXPX-UHFFFAOYSA-N 1 2 397.924 3.305 10 0 GGAELO COc1ccc(CC[N@@H+](C)CCS(=O)(=O)c2ccc(Cl)cc2)cc1OC ZINC000030537471 570490765 /nfs/dbraw/zinc/49/07/65/570490765.db2.gz FUMDIIOSOGRXPX-UHFFFAOYSA-N 1 2 397.924 3.305 10 0 GGAELO Cc1ccc2cc(C(=O)NCc3ccc[nH+]c3N3CCOCC3)c(C)nc2c1 ZINC000030634364 570493077 /nfs/dbraw/zinc/49/30/77/570493077.db2.gz SYYWBNYHMCCNNJ-UHFFFAOYSA-N 1 2 376.460 3.013 10 0 GGAELO COc1cccc(N2CC[NH+](CC(=O)N[C@@H]3CCC[C@H](C(F)(F)F)C3)CC2)c1 ZINC000030964449 570502416 /nfs/dbraw/zinc/50/24/16/570502416.db2.gz WPSDFIXJPQXRAZ-JKSUJKDBSA-N 1 2 399.457 3.055 10 0 GGAELO COC(=O)Cn1ncc2c1nc[nH+]c2N(C)[C@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000078988839 570509582 /nfs/dbraw/zinc/50/95/82/570509582.db2.gz VDLQBDWHKIRPAJ-QWHCGFSZSA-N 1 2 387.871 3.281 10 0 GGAELO CC(C)C[C@@H]1[NH2+]C2(CCN(C(=O)C3CCC3)CC2)N(Cc2ccccc2)C1=O ZINC000036028848 570513871 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385.533 3.292 10 0 GGAELO COc1cc2c(cc1OC)[C@@H](CNC(=O)C1CC1)[N@H+](Cc1ccccc1F)CC2 ZINC000036041011 570518576 /nfs/dbraw/zinc/51/85/76/570518576.db2.gz SJXUPTVTHDLIDX-HXUWFJFHSA-N 1 2 398.478 3.469 10 0 GGAELO COc1cc2c(cc1OC)[C@@H](CNC(=O)C1CC1)[N@@H+](Cc1ccccc1F)CC2 ZINC000036041011 570518579 /nfs/dbraw/zinc/51/85/79/570518579.db2.gz SJXUPTVTHDLIDX-HXUWFJFHSA-N 1 2 398.478 3.469 10 0 GGAELO COc1cc2c(cc1OC)[C@H](CNC(=O)C1CC1)[N@H+](Cc1ccccc1F)CC2 ZINC000036041010 570518700 /nfs/dbraw/zinc/51/87/00/570518700.db2.gz SJXUPTVTHDLIDX-FQEVSTJZSA-N 1 2 398.478 3.469 10 0 GGAELO COc1cc2c(cc1OC)[C@H](CNC(=O)C1CC1)[N@@H+](Cc1ccccc1F)CC2 ZINC000036041010 570518704 /nfs/dbraw/zinc/51/87/04/570518704.db2.gz SJXUPTVTHDLIDX-FQEVSTJZSA-N 1 2 398.478 3.469 10 0 GGAELO Cc1ccc(S(=O)(=O)CCC(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000005267922 570534152 /nfs/dbraw/zinc/53/41/52/570534152.db2.gz VZYQFHRTNOZUQX-KRWDZBQOSA-N 1 2 397.500 3.222 10 0 GGAELO 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ZINC000126399133 1415439195 /nfs/dbraw/zinc/43/91/95/1415439195.db2.gz FWMHHOSNJOLYMP-MAUKXSAKSA-N 1 2 383.521 3.206 10 0 GGAELO COc1ccc(C(N)=[NH+]O[C@H](C)C(=O)N[C@H](C)c2cc3ccccc3o2)cc1 ZINC000178141167 1428996816 /nfs/dbraw/zinc/99/68/16/1428996816.db2.gz FTMXWLYBUPNDRY-ZIAGYGMSSA-N 1 2 381.432 3.344 10 0 GGAELO C[C@H]1CCN(C(=O)Nc2cccc(-c3nnc4n3CCC4)c2)C[C@H]1n1cc[nH+]c1 ZINC000127867534 1415866344 /nfs/dbraw/zinc/86/63/44/1415866344.db2.gz BCQLUCCWLGQVGQ-MAUKXSAKSA-N 1 2 391.479 3.203 10 0 GGAELO O=C(Nc1ccc(C(=O)N2CCCC2)cc1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000128033210 1415897592 /nfs/dbraw/zinc/89/75/92/1415897592.db2.gz BQPQZXYPRPJPSR-LJQANCHMSA-N 1 2 380.448 3.003 10 0 GGAELO CC[NH+](CC)Cc1nc(C2(NC(=O)C3=Cc4ccccc4OC3)CCCC2)no1 ZINC000128276264 1415952813 /nfs/dbraw/zinc/95/28/13/1415952813.db2.gz CHVMQDSERFLRMD-UHFFFAOYSA-N 1 2 396.491 3.273 10 0 GGAELO CC[NH+](CC)Cc1nc(C2(NC(=O)c3ccc(COC)cc3)CCCC2)no1 ZINC000128278814 1415953005 /nfs/dbraw/zinc/95/30/05/1415953005.db2.gz 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COCCOc1ccc(NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1F ZINC000129126114 1416151684 /nfs/dbraw/zinc/15/16/84/1416151684.db2.gz HGKHACVBKUESGO-YOEHRIQHSA-N 1 2 376.432 3.162 10 0 GGAELO Clc1cnc(N2CC[NH+](Cc3ccc(-n4cncn4)cc3)CC2)c(Cl)c1 ZINC000129519778 1416222019 /nfs/dbraw/zinc/22/20/19/1416222019.db2.gz GPAAZJNNNRUJRR-UHFFFAOYSA-N 1 2 389.290 3.291 10 0 GGAELO CCc1ccccc1Nc1nc(N)nc(CN2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)n1 ZINC000129816012 1416268085 /nfs/dbraw/zinc/26/80/85/1416268085.db2.gz CTARPLFLZCWXIF-MAUKXSAKSA-N 1 2 392.511 3.039 10 0 GGAELO C[C@@H]1CN(c2ccc(NC(=O)N3CC[C@@H](C)[C@@H](n4cc[nH+]c4)C3)cc2)CCO1 ZINC000130659654 1416419384 /nfs/dbraw/zinc/41/93/84/1416419384.db2.gz HPEAIKYHZYKOMK-HLIPFELVSA-N 1 2 383.496 3.223 10 0 GGAELO Cc1ccc(NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1N1CCOC1=O ZINC000131306953 1416537603 /nfs/dbraw/zinc/53/76/03/1416537603.db2.gz GMFYBJKVUUNURX-YJBOKZPZSA-N 1 2 383.452 3.263 10 0 GGAELO Cc1ccc(NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1N1CCOC1=O ZINC000131306535 1416537814 /nfs/dbraw/zinc/53/78/14/1416537814.db2.gz GMFYBJKVUUNURX-MAUKXSAKSA-N 1 2 383.452 3.263 10 0 GGAELO C[C@H]1CCN(C(=O)Nc2cccn(Cc3ccccc3)c2=O)C[C@@H]1n1cc[nH+]c1 ZINC000131889413 1416642805 /nfs/dbraw/zinc/64/28/05/1416642805.db2.gz DCALVCCFXDBBJL-PXNSSMCTSA-N 1 2 391.475 3.208 10 0 GGAELO C[C@@H]1CCN(C(=O)Nc2cccn(Cc3ccccc3)c2=O)C[C@H]1n1cc[nH+]c1 ZINC000131889626 1416642863 /nfs/dbraw/zinc/64/28/63/1416642863.db2.gz DCALVCCFXDBBJL-YLJYHZDGSA-N 1 2 391.475 3.208 10 0 GGAELO C[C@@H]1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000151284589 1417915099 /nfs/dbraw/zinc/91/50/99/1417915099.db2.gz BYJGCSLYAJNNIX-DOMZBBRYSA-N 1 2 389.399 3.054 10 0 GGAELO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)c1cc(N2CCCC2=O)ccc1F ZINC000151398191 1417948633 /nfs/dbraw/zinc/94/86/33/1417948633.db2.gz HMYVEVDDFMEGIP-UHFFFAOYSA-N 1 2 396.466 3.268 10 0 GGAELO C[C@H]1CCN(C(=O)C(=O)Nc2cccc(SC(F)F)c2)C[C@H]1n1cc[nH+]c1 ZINC000151402571 1417950092 /nfs/dbraw/zinc/95/00/92/1417950092.db2.gz FSNFVZGTPJHHFQ-SWLSCSKDSA-N 1 2 394.447 3.246 10 0 GGAELO Cc1ccc(NC(=O)C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1C(F)(F)F ZINC000151409594 1417954300 /nfs/dbraw/zinc/95/43/00/1417954300.db2.gz CXJQBYVBTPMTLG-BBRMVZONSA-N 1 2 394.397 3.259 10 0 GGAELO C[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2CC(F)(F)F)C[C@@H]1n1cc[nH+]c1 ZINC000151410542 1417955994 /nfs/dbraw/zinc/95/59/94/1417955994.db2.gz CHQWLKLQDVGQAT-CJNGLKHVSA-N 1 2 394.397 3.036 10 0 GGAELO CCCCN(C)c1ccc(NC(=O)C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000151414387 1417957933 /nfs/dbraw/zinc/95/79/33/1417957933.db2.gz HAWUFHBRWDLGNJ-FXAWDEMLSA-N 1 2 397.523 3.168 10 0 GGAELO CSc1ccc(NC(=O)C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1Cl ZINC000151421810 1417959405 /nfs/dbraw/zinc/95/94/05/1417959405.db2.gz DYFIYNKIFLZNNT-IUODEOHRSA-N 1 2 392.912 3.307 10 0 GGAELO CCCOc1cc(C)ccc1NC(=O)C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000151477152 1417992768 /nfs/dbraw/zinc/99/27/68/1417992768.db2.gz HFQGKUHZAXGHFS-WMZOPIPTSA-N 1 2 384.480 3.029 10 0 GGAELO Cc1nn(-c2ccccc2)c(C)c1CNC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000151781659 1418085311 /nfs/dbraw/zinc/08/53/11/1418085311.db2.gz FHWQQRNNUMVGFK-IERDGZPVSA-N 1 2 392.507 3.478 10 0 GGAELO CN1CC[NH+](Cc2cccc(NC(=O)[C@H]3C[C@@H]3c3cccc(F)c3F)c2)CC1 ZINC000152277368 1418191937 /nfs/dbraw/zinc/19/19/37/1418191937.db2.gz GZBZHRJDLKEGHR-MOPGFXCFSA-N 1 2 385.458 3.454 10 0 GGAELO CO[C@H](C)c1noc(CN2CC[NH+](CCc3ccc(Cl)c(Cl)c3)CC2)n1 ZINC000153229689 1422405033 /nfs/dbraw/zinc/40/50/33/1422405033.db2.gz YQKFFJHJVAUDMN-CYBMUJFWSA-N 1 2 399.322 3.444 10 0 GGAELO COc1cc(F)c([C@H](C)NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1OC ZINC000153582240 1422632654 /nfs/dbraw/zinc/63/26/54/1422632654.db2.gz BQFNFFULSXYILT-GRDNDAEWSA-N 1 2 390.459 3.393 10 0 GGAELO C[C@H]1CCN(C(=O)NCCc2nc(C(F)(F)F)cs2)C[C@H]1n1cc[nH+]c1 ZINC000154142466 1422846193 /nfs/dbraw/zinc/84/61/93/1422846193.db2.gz AAHXCZCPPOGMQK-NWDGAFQWSA-N 1 2 387.431 3.194 10 0 GGAELO C[C@H](NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)c1cccc(-n2cccn2)c1 ZINC000154175406 1422850815 /nfs/dbraw/zinc/85/08/15/1422850815.db2.gz BNMZBAAGFIECSG-FUHIMQAGSA-N 1 2 378.480 3.423 10 0 GGAELO COC(=O)CCC[N@H+](CC(=O)Nc1nnc(C(C)C)s1)Cc1ccccc1 ZINC000155617101 1423448464 /nfs/dbraw/zinc/44/84/64/1423448464.db2.gz ALILTOTVWIAXPB-UHFFFAOYSA-N 1 2 390.509 3.055 10 0 GGAELO COC(=O)CCC[N@@H+](CC(=O)Nc1nnc(C(C)C)s1)Cc1ccccc1 ZINC000155617101 1423448466 /nfs/dbraw/zinc/44/84/66/1423448466.db2.gz ALILTOTVWIAXPB-UHFFFAOYSA-N 1 2 390.509 3.055 10 0 GGAELO C[C@H](NC(=O)[C@H](C)[N@@H+]1CCCN(CC(F)(F)F)CC1)c1ccc(Cl)cc1 ZINC000155897247 1423583088 /nfs/dbraw/zinc/58/30/88/1423583088.db2.gz CVPPMVXKKWTJGF-KBPBESRZSA-N 1 2 391.865 3.476 10 0 GGAELO C[C@H](NC(=O)[C@H](C)[N@H+]1CCCN(CC(F)(F)F)CC1)c1ccc(Cl)cc1 ZINC000155897247 1423583099 /nfs/dbraw/zinc/58/30/99/1423583099.db2.gz CVPPMVXKKWTJGF-KBPBESRZSA-N 1 2 391.865 3.476 10 0 GGAELO O=C(c1ccc(C[NH+]2CCN(c3ncccc3Cl)CC2)cc1)N1CCCC1 ZINC000155970049 1423614414 /nfs/dbraw/zinc/61/44/14/1423614414.db2.gz UUYUGJCYOJNKQS-UHFFFAOYSA-N 1 2 384.911 3.293 10 0 GGAELO COc1cccc(-c2nc(C)c(C(=O)N3CC[C@@H](C)[C@H](n4cc[nH+]c4)C3)[nH]2)c1 ZINC000156619724 1423836719 /nfs/dbraw/zinc/83/67/19/1423836719.db2.gz IDRZRNCVEOSWGC-RDTXWAMCSA-N 1 2 379.464 3.314 10 0 GGAELO COc1cccc(-c2nc(C)c(C(=O)N3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)[nH]2)c1 ZINC000156619600 1423836866 /nfs/dbraw/zinc/83/68/66/1423836866.db2.gz IDRZRNCVEOSWGC-KBXCAEBGSA-N 1 2 379.464 3.314 10 0 GGAELO CN1C(=O)C[C@H](C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)[C@H]1c1ccc(F)cc1 ZINC000156940252 1423890079 /nfs/dbraw/zinc/89/00/79/1423890079.db2.gz DZVFGYJREADNDE-OXJNMPFZSA-N 1 2 396.397 3.309 10 0 GGAELO Cn1ccnc1CC1CC[NH+]([C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)CC1 ZINC000157150260 1423938003 /nfs/dbraw/zinc/93/80/03/1423938003.db2.gz UHKKLNRKHAVPIC-SFHVURJKSA-N 1 2 390.890 3.273 10 0 GGAELO CC(C)C(=O)NCC[N@H+](C)[C@H](C)C(=O)Nc1ccccc1Cc1ccccc1 ZINC000157371101 1423996683 /nfs/dbraw/zinc/99/66/83/1423996683.db2.gz FULFNQAVNMQERR-GOSISDBHSA-N 1 2 381.520 3.308 10 0 GGAELO CC(C)C(=O)NCC[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1Cc1ccccc1 ZINC000157371101 1423996686 /nfs/dbraw/zinc/99/66/86/1423996686.db2.gz FULFNQAVNMQERR-GOSISDBHSA-N 1 2 381.520 3.308 10 0 GGAELO COc1ccccc1N1CC[NH+](Cc2c(C)nn(C)c2Oc2cccnc2)CC1 ZINC000157409318 1424005559 /nfs/dbraw/zinc/00/55/59/1424005559.db2.gz PIOXMRFRJQXUNE-UHFFFAOYSA-N 1 2 393.491 3.247 10 0 GGAELO Cc1ccc2[nH+]cc(CNc3ccc(NC(=O)[C@@H](C)n4cncn4)cc3)n2c1 ZINC000157750275 1424080061 /nfs/dbraw/zinc/08/00/61/1424080061.db2.gz BCKCKOMVERQWKR-OAHLLOKOSA-N 1 2 375.436 3.046 10 0 GGAELO C[C@@H](NC(=O)[C@@H](C)O[NH+]=C(N)c1ccc2c(c1)CCO2)c1ccc(Cl)cc1 ZINC000158160567 1424183093 /nfs/dbraw/zinc/18/30/93/1424183093.db2.gz AKTNZPHZPXCFIB-CHWSQXEVSA-N 1 2 387.867 3.178 10 0 GGAELO COc1cc(C)cc(CNC(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)c1 ZINC000162693801 1424881275 /nfs/dbraw/zinc/88/12/75/1424881275.db2.gz CIMHQZAUXBMYSA-UHFFFAOYSA-N 1 2 397.523 3.257 10 0 GGAELO COc1ccccc1C[NH+]1CCN(C(=O)[C@H]2C[C@H]2c2cccc(F)c2F)CC1 ZINC000163537851 1425013471 /nfs/dbraw/zinc/01/34/71/1425013471.db2.gz HKHVQGAAZDVZLJ-ROUUACIJSA-N 1 2 386.442 3.421 10 0 GGAELO C[N@@H+]1CCC[C@H]1c1nc(C2CN(C(=O)CCc3nc4ccccc4s3)C2)no1 ZINC000169782885 1425255588 /nfs/dbraw/zinc/25/55/88/1425255588.db2.gz YAOQEAUFVPHZNR-HNNXBMFYSA-N 1 2 397.504 3.005 10 0 GGAELO C[N@H+]1CCC[C@H]1c1nc(C2CN(C(=O)CCc3nc4ccccc4s3)C2)no1 ZINC000169782885 1425255592 /nfs/dbraw/zinc/25/55/92/1425255592.db2.gz YAOQEAUFVPHZNR-HNNXBMFYSA-N 1 2 397.504 3.005 10 0 GGAELO C[N@@H+]1CCC[C@@H]1c1nc(C2CN(C(=O)CCc3nc4ccccc4s3)C2)no1 ZINC000169782884 1425256030 /nfs/dbraw/zinc/25/60/30/1425256030.db2.gz YAOQEAUFVPHZNR-OAHLLOKOSA-N 1 2 397.504 3.005 10 0 GGAELO C[N@H+]1CCC[C@@H]1c1nc(C2CN(C(=O)CCc3nc4ccccc4s3)C2)no1 ZINC000169782884 1425256040 /nfs/dbraw/zinc/25/60/40/1425256040.db2.gz YAOQEAUFVPHZNR-OAHLLOKOSA-N 1 2 397.504 3.005 10 0 GGAELO C[N@@H+]1CCC[C@H]1c1nc(C2CN(Cc3cc(F)cc(Br)c3)C2)no1 ZINC000169791483 1425258440 /nfs/dbraw/zinc/25/84/40/1425258440.db2.gz GJTIICLNABKWMT-HNNXBMFYSA-N 1 2 395.276 3.337 10 0 GGAELO C[N@H+]1CCC[C@H]1c1nc(C2CN(Cc3cc(F)cc(Br)c3)C2)no1 ZINC000169791483 1425258447 /nfs/dbraw/zinc/25/84/47/1425258447.db2.gz GJTIICLNABKWMT-HNNXBMFYSA-N 1 2 395.276 3.337 10 0 GGAELO C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172757041 1426174544 /nfs/dbraw/zinc/17/45/44/1426174544.db2.gz GCUYGEUPKSHUSI-RXVVDRJESA-N 1 2 380.488 3.054 10 0 GGAELO Cc1cnc(CCNC(=O)N[C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)s1 ZINC000173623848 1426801500 /nfs/dbraw/zinc/80/15/00/1426801500.db2.gz WVAFTLSDVXVKFK-CQSZACIVSA-N 1 2 394.491 3.236 10 0 GGAELO Cc1cnc(CCNC(=O)N[C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)s1 ZINC000173623848 1426801502 /nfs/dbraw/zinc/80/15/02/1426801502.db2.gz WVAFTLSDVXVKFK-CQSZACIVSA-N 1 2 394.491 3.236 10 0 GGAELO Cc1noc([C@@H](C)N2CC[NH+](Cc3ccccc3OCC(F)(F)F)CC2)n1 ZINC000173683943 1426820444 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ZINC000182726144 1430528052 /nfs/dbraw/zinc/52/80/52/1430528052.db2.gz FDTYDTRLFCAEIM-OAHLLOKOSA-N 1 2 382.460 3.176 10 0 GGAELO COC(=O)c1ccc(C)c(NC(=O)[C@@H](C)[N@H+]2CCc3c(cccc3OC)C2)c1 ZINC000182726144 1430528054 /nfs/dbraw/zinc/52/80/54/1430528054.db2.gz FDTYDTRLFCAEIM-OAHLLOKOSA-N 1 2 382.460 3.176 10 0 GGAELO CC(C)n1nnnc1-c1ccccc1NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000184640011 1430926918 /nfs/dbraw/zinc/92/69/18/1430926918.db2.gz CMMFZDKLMWYBIJ-CRAIPNDOSA-N 1 2 394.483 3.233 10 0 GGAELO CC(C)n1nnnc1-c1ccccc1NC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000184640029 1430927684 /nfs/dbraw/zinc/92/76/84/1430927684.db2.gz CMMFZDKLMWYBIJ-MAUKXSAKSA-N 1 2 394.483 3.233 10 0 GGAELO CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)[NH2+][C@@H](C)c2ncc(-c3ccccc3)o2)C1 ZINC000184871836 1431008528 /nfs/dbraw/zinc/00/85/28/1431008528.db2.gz GDKQMBYIBARZQS-XYJFISCASA-N 1 2 399.491 3.182 10 0 GGAELO C[C@@H]1CCN(C(=O)N[C@H](c2cnn(C)c2)c2ccc(F)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000185975973 1431303044 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399.466 3.130 10 0 GGAELO CCOC(=O)[C@@H](Cc1ccccc1)[NH2+]C1CCN(C(=O)c2ccccc2)CC1 ZINC000187343818 1431703591 /nfs/dbraw/zinc/70/35/91/1431703591.db2.gz ULLMABDIAJIEHW-OAQYLSRUSA-N 1 2 380.488 3.055 10 0 GGAELO C[C@@H]1C[N@H+](Cc2cc(Br)cc(Br)c2O)CC[C@@H]1O ZINC000190048171 1432310631 /nfs/dbraw/zinc/31/06/31/1432310631.db2.gz AFBOSVYGJYLEJA-PELKAZGASA-N 1 2 379.092 3.120 10 0 GGAELO C[C@@H]1C[N@@H+](Cc2cc(Br)cc(Br)c2O)CC[C@@H]1O ZINC000190048171 1432310635 /nfs/dbraw/zinc/31/06/35/1432310635.db2.gz AFBOSVYGJYLEJA-PELKAZGASA-N 1 2 379.092 3.120 10 0 GGAELO C[C@@H]1CCN(C(=O)C(=O)Nc2cc(Cl)c(F)c(Cl)c2)C[C@@H]1n1cc[nH+]c1 ZINC000190630977 1432425891 /nfs/dbraw/zinc/42/58/91/1432425891.db2.gz BNIDMRWCWYTXSP-YGRLFVJLSA-N 1 2 399.253 3.377 10 0 GGAELO C[C@H](c1nnnn1C1CC1)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000192139524 1432805342 /nfs/dbraw/zinc/80/53/42/1432805342.db2.gz UFKYEYNXMOFWEO-CYBMUJFWSA-N 1 2 395.338 3.236 10 0 GGAELO C/C=C\c1ccc(OC[C@H](O)C[NH+]2CCN(Cc3ccccc3)CC2)c(OC)c1 ZINC000210122553 1433356497 /nfs/dbraw/zinc/35/64/97/1433356497.db2.gz GXTSPQLTLPKKOH-NEAHNDPRSA-N 1 2 396.531 3.286 10 0 GGAELO OC[C@H]1CCC[C@H]1[NH2+]Cc1cc(Br)c(O)c(Br)c1 ZINC000231292412 1433372961 /nfs/dbraw/zinc/37/29/61/1433372961.db2.gz HGPJXGRELCHAKI-BXKDBHETSA-N 1 2 379.092 3.168 10 0 GGAELO C[C@H](NCc1cccc2c1OCCO2)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000237497431 1433406541 /nfs/dbraw/zinc/40/65/41/1433406541.db2.gz AVNOMVBJDAUOCG-INIZCTEOSA-N 1 2 385.483 3.200 10 0 GGAELO COc1ccc(CC[NH+]2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1OC ZINC000243023539 1433448126 /nfs/dbraw/zinc/44/81/26/1433448126.db2.gz HYTOCSUKYQSXLI-UHFFFAOYSA-N 1 2 388.895 3.358 10 0 GGAELO Cc1ccc(N2CCC[C@H](NC(=O)N3CC[C@H](C)[C@@H](n4cc[nH+]c4)C3)C2)cc1 ZINC000246894467 1433683868 /nfs/dbraw/zinc/68/38/68/1433683868.db2.gz BHBRLDRGRUERIA-ZJOUEHCJSA-N 1 2 381.524 3.453 10 0 GGAELO CC(C)CC(=O)N[C@H](C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000246907641 1433686076 /nfs/dbraw/zinc/68/60/76/1433686076.db2.gz BLPBIVDOSIYKPD-DSKINZAPSA-N 1 2 382.508 3.196 10 0 GGAELO COc1cccc(C(=O)N2C[C@@H](COc3cc[nH+]cc3)C3(C2)CCOCC3)c1C ZINC000257174147 1433893113 /nfs/dbraw/zinc/89/31/13/1433893113.db2.gz CQQKWPKVHLVLLP-SFHVURJKSA-N 1 2 396.487 3.346 10 0 GGAELO Cc1c[nH+]c(-c2cccnc2)n1C[C@H]1CCCN(C(=O)c2c(C)nn(C)c2C)C1 ZINC000257176998 1433893323 /nfs/dbraw/zinc/89/33/23/1433893323.db2.gz VLQCZSBZRDCTEN-SFHVURJKSA-N 1 2 392.507 3.156 10 0 GGAELO Cc1c[nH+]c(-c2cccnc2)n1CCC1CCN(C(=O)c2cc(C)n(C)n2)CC1 ZINC000257179417 1433893776 /nfs/dbraw/zinc/89/37/76/1433893776.db2.gz CPYSBUONUOYOGZ-UHFFFAOYSA-N 1 2 392.507 3.238 10 0 GGAELO O=C(CCc1nc([C@@H]2CCC[N@@H+]2Cc2cccc3[nH]ccc32)no1)N1CCCC1 ZINC000257194083 1433894640 /nfs/dbraw/zinc/89/46/40/1433894640.db2.gz SMKJUAQQHRHOMF-IBGZPJMESA-N 1 2 393.491 3.443 10 0 GGAELO O=C(CCc1nc([C@@H]2CCC[N@H+]2Cc2cccc3[nH]ccc32)no1)N1CCCC1 ZINC000257194083 1433894642 /nfs/dbraw/zinc/89/46/42/1433894642.db2.gz SMKJUAQQHRHOMF-IBGZPJMESA-N 1 2 393.491 3.443 10 0 GGAELO COc1ccnc(C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)c1 ZINC000261411319 1433895862 /nfs/dbraw/zinc/89/58/62/1433895862.db2.gz CZDWZRHLQMZTSN-KRWDZBQOSA-N 1 2 377.847 3.450 10 0 GGAELO COc1ccnc(C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)c1 ZINC000261411320 1433895939 /nfs/dbraw/zinc/89/59/39/1433895939.db2.gz CZDWZRHLQMZTSN-QGZVFWFLSA-N 1 2 377.847 3.450 10 0 GGAELO CC(=O)Nc1cccc(NC(=O)[C@@H](C)[N@H+](C)C[C@H]2OCCc3ccccc32)c1 ZINC000263672773 1434018620 /nfs/dbraw/zinc/01/86/20/1434018620.db2.gz GODQCKVNKKAROL-QVKFZJNVSA-N 1 2 381.476 3.218 10 0 GGAELO CC(=O)Nc1cccc(NC(=O)[C@@H](C)[N@@H+](C)C[C@H]2OCCc3ccccc32)c1 ZINC000263672773 1434018623 /nfs/dbraw/zinc/01/86/23/1434018623.db2.gz GODQCKVNKKAROL-QVKFZJNVSA-N 1 2 381.476 3.218 10 0 GGAELO O=C(NCc1cc(-c2ccccc2)no1)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000263905482 1434047643 /nfs/dbraw/zinc/04/76/43/1434047643.db2.gz GKOXPHFLJSWYJI-QFIPXVFZSA-N 1 2 391.471 3.156 10 0 GGAELO CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000263939619 1434051161 /nfs/dbraw/zinc/05/11/61/1434051161.db2.gz DUSFPRBDRCEYNZ-DZGCQCFKSA-N 1 2 386.448 3.047 10 0 GGAELO CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000263939619 1434051163 /nfs/dbraw/zinc/05/11/63/1434051163.db2.gz DUSFPRBDRCEYNZ-DZGCQCFKSA-N 1 2 386.448 3.047 10 0 GGAELO O=C(Nc1cccc(C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)c1)C1CCCCC1 ZINC000266310442 1434318811 /nfs/dbraw/zinc/31/88/11/1434318811.db2.gz GMCUUENRCZZFKY-OAQYLSRUSA-N 1 2 399.535 3.142 10 0 GGAELO C[C@@H]1CN(c2ccc(NC(=O)N3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)cn2)C[C@@H](C)O1 ZINC000268320347 1434512076 /nfs/dbraw/zinc/51/20/76/1434512076.db2.gz FLWIQZBQSKFPTI-DODZYUBVSA-N 1 2 398.511 3.007 10 0 GGAELO COCCOc1cc(NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)ccc1OC ZINC000268342699 1434514122 /nfs/dbraw/zinc/51/41/22/1434514122.db2.gz ASMACOYTTORPMQ-RDJZCZTQSA-N 1 2 388.468 3.032 10 0 GGAELO CC(=O)Nc1ccc(O)c(C(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000270016650 1434693677 /nfs/dbraw/zinc/69/36/77/1434693677.db2.gz CPBJVUZBYZQDPD-HUUCEWRRSA-N 1 2 397.475 3.212 10 0 GGAELO CCC(=O)N[C@H](CCSC)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000270407375 1434730692 /nfs/dbraw/zinc/73/06/92/1434730692.db2.gz DFLOTXQUSMZDAL-GOSISDBHSA-N 1 2 398.532 3.188 10 0 GGAELO COc1ccc([C@H](OC)[C@H](C)NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000271329606 1434816519 /nfs/dbraw/zinc/81/65/19/1434816519.db2.gz AEECYWNBABIOAB-XAMWDVODSA-N 1 2 386.496 3.260 10 0 GGAELO C[C@H]1CCN(C(=O)NC2CCC(O)(c3ccccc3)CC2)C[C@H]1n1cc[nH+]c1 ZINC000273646949 1435002181 /nfs/dbraw/zinc/00/21/81/1435002181.db2.gz DPBBQJFVMDOEBU-ACIXJAQOSA-N 1 2 382.508 3.306 10 0 GGAELO Cn1c[nH+]cc1[C@H]1C[C@H](NC(=O)/C=C/c2ccc(OC(F)F)cc2)CCO1 ZINC000275808075 1435171546 /nfs/dbraw/zinc/17/15/46/1435171546.db2.gz DSFOYXQFQLATSZ-GKXYRXCGSA-N 1 2 377.391 3.071 10 0 GGAELO CCCOc1ccc(/C=C/C(=O)N[C@@H]2CCO[C@H](c3c[nH+]cn3C)C2)cc1OC ZINC000275813102 1435171959 /nfs/dbraw/zinc/17/19/59/1435171959.db2.gz DXOWEBQZQOGJOO-YSKVMHACSA-N 1 2 399.491 3.267 10 0 GGAELO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]21 ZINC000279927085 1435564704 /nfs/dbraw/zinc/56/47/04/1435564704.db2.gz GTZFBSVQGBSETN-XYJFISCASA-N 1 2 399.520 3.049 10 0 GGAELO Cc1cccc(C)c1OC[C@@H]([NH2+]Cc1nnc2n1CCOC2)c1ccccc1 ZINC000280972143 1435749708 /nfs/dbraw/zinc/74/97/08/1435749708.db2.gz CCUCAHZYKVUOHZ-LJQANCHMSA-N 1 2 378.476 3.335 10 0 GGAELO O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)c1cccc(Nc2nn[nH]n2)c1 ZINC000922831247 1443143853 /nfs/dbraw/zinc/14/38/53/1443143853.db2.gz YYLNFLPIOMNUQR-UHFFFAOYSA-N 1 2 377.452 3.182 10 0 GGAELO Cc1nc(N(C)C)nc(N[C@H](CO)c2ccc(Cl)cc2C(F)(F)F)[nH+]1 ZINC000481055472 532665815 /nfs/dbraw/zinc/66/58/15/532665815.db2.gz IEYPAFAMVGCTEK-GFCCVEGCSA-N 1 2 375.782 3.064 10 0 GGAELO Cc1nc(N[C@H](CO)c2ccc(Cl)cc2C(F)(F)F)nc(N(C)C)[nH+]1 ZINC000481055472 532665822 /nfs/dbraw/zinc/66/58/22/532665822.db2.gz IEYPAFAMVGCTEK-GFCCVEGCSA-N 1 2 375.782 3.064 10 0 GGAELO CC[NH+](CC)c1ccc(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c(C)c1 ZINC000004885308 204086662 /nfs/dbraw/zinc/08/66/62/204086662.db2.gz VRJQBOFPAMNNOL-UHFFFAOYSA-N 1 2 389.477 3.087 10 0 GGAELO CC1=C(C(=O)N2CCOCC2)[C@H](c2ccccc2F)n2c3ccccc3[nH+]c2N1 ZINC000004597477 204057269 /nfs/dbraw/zinc/05/72/69/204057269.db2.gz WPJHOHPLNQHSTK-FQEVSTJZSA-N 1 2 392.434 3.323 10 0 GGAELO CCOc1ccc(CNC(=O)C2CCN(c3[nH]c4ccccc4[nH+]3)CC2)cc1 ZINC000004955351 204096349 /nfs/dbraw/zinc/09/63/49/204096349.db2.gz ZUBIHSLHXRVGKD-UHFFFAOYSA-N 1 2 378.476 3.494 10 0 GGAELO Cc1ccc(Cc2c(C)[nH+]c(C)nc2N2CCN(C(=O)NC(C)C)CC2)cc1 ZINC000006776664 204203596 /nfs/dbraw/zinc/20/35/96/204203596.db2.gz NFTBYBMOAXPWKF-UHFFFAOYSA-N 1 2 381.524 3.233 10 0 GGAELO Cc1ccccc1Cc1c(C)[nH+]c(C)nc1N1CCN(C(=O)C2CCC2)CC1 ZINC000006801793 204208376 /nfs/dbraw/zinc/20/83/76/204208376.db2.gz ZZKHUEZEDJYFAN-UHFFFAOYSA-N 1 2 378.520 3.441 10 0 GGAELO CC[NH+](CC)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)c(C)c1 ZINC000006748922 204199711 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/nfs/dbraw/zinc/18/79/25/136187925.db2.gz VICUGCRTUMAPJV-AWEZNQCLSA-N 1 2 398.507 3.028 10 0 GGAELO CCCc1c(C(=O)NCc2cc[nH+]c(N3CCO[C@H](C)C3)c2)[nH]c(C)c1C(C)=O ZINC000097010969 136187950 /nfs/dbraw/zinc/18/79/50/136187950.db2.gz VICUGCRTUMAPJV-CQSZACIVSA-N 1 2 398.507 3.028 10 0 GGAELO Cc1[nH+]c(N2C[C@H](C)OC(C)(C)C2)nc(N2C[C@@H](C)OC(C)(C)C2)c1Cl ZINC000107152144 136191685 /nfs/dbraw/zinc/19/16/85/136191685.db2.gz VXZRMWOKRQIXPB-OLZOCXBDSA-N 1 2 382.936 3.446 10 0 GGAELO CCOC(=O)C1C(C[NH2+]Cc2ccc(Cl)cc2)=NC(=O)N[C@@H]1c1ccccc1 ZINC000058056271 520520268 /nfs/dbraw/zinc/52/02/68/520520268.db2.gz LSIRHLISMIBJTB-LJQANCHMSA-N 1 2 399.878 3.301 10 0 GGAELO CCCNc1cc(N2CCC[C@@H](CCC(=O)NCCc3ccccn3)C2)nc[nH+]1 ZINC000065242425 535192710 /nfs/dbraw/zinc/19/27/10/535192710.db2.gz NMZVJYHXVJSTHR-SFHVURJKSA-N 1 2 396.539 3.049 10 0 GGAELO CCCNc1cc(N2CCC[C@@H](CCC(=O)NCCc3ccccn3)C2)[nH+]cn1 ZINC000065242425 535192717 /nfs/dbraw/zinc/19/27/17/535192717.db2.gz NMZVJYHXVJSTHR-SFHVURJKSA-N 1 2 396.539 3.049 10 0 GGAELO CCNc1cc(N2CCC[C@@H](CCC(=O)N3CCc4ccccc4C3)C2)nc[nH+]1 ZINC000065245133 535520301 /nfs/dbraw/zinc/52/03/01/535520301.db2.gz RUIMKKVTVALJPE-SFHVURJKSA-N 1 2 393.535 3.490 10 0 GGAELO CCNc1cc(N2CCC[C@@H](CCC(=O)N3CCc4ccccc4C3)C2)[nH+]cn1 ZINC000065245133 535520306 /nfs/dbraw/zinc/52/03/06/535520306.db2.gz RUIMKKVTVALJPE-SFHVURJKSA-N 1 2 393.535 3.490 10 0 GGAELO CCNc1cc(N2CCC[C@@H](CCC(=O)N(C)CCc3ccccn3)C2)nc[nH+]1 ZINC000065244995 535520509 /nfs/dbraw/zinc/52/05/09/535520509.db2.gz SNLDWUUFDHNNLW-SFHVURJKSA-N 1 2 396.539 3.001 10 0 GGAELO CCNc1cc(N2CCC[C@@H](CCC(=O)N(C)CCc3ccccn3)C2)[nH+]cn1 ZINC000065244995 535520516 /nfs/dbraw/zinc/52/05/16/535520516.db2.gz SNLDWUUFDHNNLW-SFHVURJKSA-N 1 2 396.539 3.001 10 0 GGAELO CCNc1cc(N2CCC[C@H](CCC(=O)N(C)CCc3ccccn3)C2)nc[nH+]1 ZINC000065244994 535521369 /nfs/dbraw/zinc/52/13/69/535521369.db2.gz SNLDWUUFDHNNLW-GOSISDBHSA-N 1 2 396.539 3.001 10 0 GGAELO CCNc1cc(N2CCC[C@H](CCC(=O)N(C)CCc3ccccn3)C2)[nH+]cn1 ZINC000065244994 535521375 /nfs/dbraw/zinc/52/13/75/535521375.db2.gz SNLDWUUFDHNNLW-GOSISDBHSA-N 1 2 396.539 3.001 10 0 GGAELO CCOc1ccccc1NC(=O)Cn1ncc2c1nc[nH+]c2N1CCC(C)CC1 ZINC000065295577 535526033 /nfs/dbraw/zinc/52/60/33/535526033.db2.gz WFSMUMMSSFRJAW-UHFFFAOYSA-N 1 2 394.479 3.100 10 0 GGAELO CCc1[nH+]c(C2CC2)nc(N2CCN(C(C)=O)CC2)c1Cc1ccc(F)cc1 ZINC000096317139 536127769 /nfs/dbraw/zinc/12/77/69/536127769.db2.gz HEBVPVWWCDEXST-UHFFFAOYSA-N 1 2 382.483 3.315 10 0 GGAELO COCC(=O)N1CCN(c2nc(C(C)C)[nH+]c(C)c2Cc2cccc(C)c2)CC1 ZINC000096317260 536767838 /nfs/dbraw/zinc/76/78/38/536767838.db2.gz OOKNQLCFSJKIPN-UHFFFAOYSA-N 1 2 396.535 3.103 10 0 GGAELO COC(=O)c1c(C)c2ccccc2nc1C[NH+]1CCN(c2ccccc2O)CC1 ZINC000057692659 536850032 /nfs/dbraw/zinc/85/00/32/536850032.db2.gz NWJLNQYHDWCVPX-UHFFFAOYSA-N 1 2 391.471 3.358 10 0 GGAELO COc1c(Br)cc(Br)cc1C[NH2+]Cc1ccn(C)n1 ZINC000213128057 565895355 /nfs/dbraw/zinc/89/53/55/565895355.db2.gz VYGBUNHKRADTQL-UHFFFAOYSA-N 1 2 389.091 3.244 10 0 GGAELO C[C@H](CC[NH2+]Cc1cc(Br)c(O)c(Br)c1)[S@](C)=O ZINC000235426560 565936301 /nfs/dbraw/zinc/93/63/01/565936301.db2.gz XETULBMCQVQGJL-CVJBHZAOSA-N 1 2 399.148 3.164 10 0 GGAELO C[C@@H]1CN(Cc2cc(Br)c(O)c(Br)c2)C[C@@H]1[NH+](C)C ZINC000235341485 565934659 /nfs/dbraw/zinc/93/46/59/565934659.db2.gz QQMKKHNGXXCOSS-RNCFNFMXSA-N 1 2 392.135 3.299 10 0 GGAELO CCOCC[N@@H+]1CCN(C(=O)c2cc(-c3ccc(Cl)s3)on2)C[C@H]1C ZINC000117282272 564225270 /nfs/dbraw/zinc/22/52/70/564225270.db2.gz NLZFBVGEZYQGBZ-GFCCVEGCSA-N 1 2 383.901 3.239 10 0 GGAELO CCOCC[N@H+]1CCN(C(=O)c2cc(-c3ccc(Cl)s3)on2)C[C@H]1C ZINC000117282272 564225273 /nfs/dbraw/zinc/22/52/73/564225273.db2.gz NLZFBVGEZYQGBZ-GFCCVEGCSA-N 1 2 383.901 3.239 10 0 GGAELO CCOCC[N@@H+]1CCN(C(=O)c2cc(-c3ccc(Cl)s3)on2)C[C@@H]1C ZINC000117282270 564225710 /nfs/dbraw/zinc/22/57/10/564225710.db2.gz NLZFBVGEZYQGBZ-LBPRGKRZSA-N 1 2 383.901 3.239 10 0 GGAELO CCOCC[N@H+]1CCN(C(=O)c2cc(-c3ccc(Cl)s3)on2)C[C@@H]1C ZINC000117282270 564225712 /nfs/dbraw/zinc/22/57/12/564225712.db2.gz NLZFBVGEZYQGBZ-LBPRGKRZSA-N 1 2 383.901 3.239 10 0 GGAELO O=C(CS(=O)(=O)c1ccc(Cl)cc1)Nc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000118643599 564243150 /nfs/dbraw/zinc/24/31/50/564243150.db2.gz CHKNHBGFCDYDKH-UHFFFAOYSA-N 1 2 375.837 3.143 10 0 GGAELO C[N@H+](Cc1ccc(F)cc1)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1=O ZINC000010169607 564255973 /nfs/dbraw/zinc/25/59/73/564255973.db2.gz SISXFSVOIAZYMW-INIZCTEOSA-N 1 2 391.240 3.352 10 0 GGAELO C[N@@H+](Cc1ccc(F)cc1)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1=O ZINC000010169607 564255977 /nfs/dbraw/zinc/25/59/77/564255977.db2.gz SISXFSVOIAZYMW-INIZCTEOSA-N 1 2 391.240 3.352 10 0 GGAELO COc1cc(C(=O)NCc2ccnc(-n3cc[nH+]c3)c2)sc1Br ZINC000119516729 564275534 /nfs/dbraw/zinc/27/55/34/564275534.db2.gz IKJKMVLAKQSVRD-UHFFFAOYSA-N 1 2 393.266 3.030 10 0 GGAELO CCN1CC[NH+]([C@@H](c2cccs2)[C@H](C)NC(=O)Cc2cccs2)CC1 ZINC000020857424 564307426 /nfs/dbraw/zinc/30/74/26/564307426.db2.gz ZNSJQNXKNGIMFP-HNAYVOBHSA-N 1 2 377.579 3.236 10 0 GGAELO CC(C)(C)c1ccc(S(=O)(=O)NCc2cccnc2-n2cc[nH+]c2)s1 ZINC000120175301 564307702 /nfs/dbraw/zinc/30/77/02/564307702.db2.gz LOWINGVOOBUMMJ-UHFFFAOYSA-N 1 2 376.507 3.105 10 0 GGAELO C[C@@H](C(=O)NCc1cccs1)N1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000023260785 564322917 /nfs/dbraw/zinc/32/29/17/564322917.db2.gz WLVFRYSMELSAFU-ZDUSSCGKSA-N 1 2 383.970 3.286 10 0 GGAELO Cn1c(SC[C@H]2C[N@H+](Cc3ccccc3Cl)CCO2)nnc1C1CC1 ZINC000023718469 564326657 /nfs/dbraw/zinc/32/66/57/564326657.db2.gz GJZNOMODQOOUIB-OAHLLOKOSA-N 1 2 378.929 3.339 10 0 GGAELO Cn1c(SC[C@H]2C[N@@H+](Cc3ccccc3Cl)CCO2)nnc1C1CC1 ZINC000023718469 564326662 /nfs/dbraw/zinc/32/66/62/564326662.db2.gz GJZNOMODQOOUIB-OAHLLOKOSA-N 1 2 378.929 3.339 10 0 GGAELO Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(n3cncn3)CC2)c(Br)c1 ZINC000120603965 564328522 /nfs/dbraw/zinc/32/85/22/564328522.db2.gz GDJSOLPOFWUQSZ-ZDUSSCGKSA-N 1 2 392.301 3.013 10 0 GGAELO NC(=O)[C@@H](c1cccc(Br)c1)[NH+]1CCC(C2CCOCC2)CC1 ZINC000120632679 564329644 /nfs/dbraw/zinc/32/96/44/564329644.db2.gz QPTPRJLNZTXFJV-QGZVFWFLSA-N 1 2 381.314 3.114 10 0 GGAELO Cc1cc(S(=O)(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)c(C)s1 ZINC000024367426 564329940 /nfs/dbraw/zinc/32/99/40/564329940.db2.gz JHEMHYYVXTZXSO-UHFFFAOYSA-N 1 2 382.526 3.401 10 0 GGAELO Cc1cc(S(=O)(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)c(C)s1 ZINC000024367426 564329942 /nfs/dbraw/zinc/32/99/42/564329942.db2.gz JHEMHYYVXTZXSO-UHFFFAOYSA-N 1 2 382.526 3.401 10 0 GGAELO Cc1nn(C)c(OCC(F)(F)F)c1C[N@@H+]1CCO[C@@H](c2cccs2)C1 ZINC000120761453 564335996 /nfs/dbraw/zinc/33/59/96/564335996.db2.gz IUOKPMXEQXZCKW-CYBMUJFWSA-N 1 2 375.416 3.305 10 0 GGAELO Cc1nn(C)c(OCC(F)(F)F)c1C[N@H+]1CCO[C@@H](c2cccs2)C1 ZINC000120761453 564336000 /nfs/dbraw/zinc/33/60/00/564336000.db2.gz IUOKPMXEQXZCKW-CYBMUJFWSA-N 1 2 375.416 3.305 10 0 GGAELO Cc1cccc(NC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)c1Br ZINC000120773425 564336792 /nfs/dbraw/zinc/33/67/92/564336792.db2.gz FJGIDTLFIHNWCX-OAHLLOKOSA-N 1 2 396.329 3.476 10 0 GGAELO FC(F)(F)c1cc(Br)cc(C[N@@H+]2CC[C@H](N3CCOCC3)C2)c1 ZINC000121042999 564350216 /nfs/dbraw/zinc/35/02/16/564350216.db2.gz OKUVKKIGCZUMHI-HNNXBMFYSA-N 1 2 393.247 3.374 10 0 GGAELO FC(F)(F)c1cc(Br)cc(C[N@H+]2CC[C@H](N3CCOCC3)C2)c1 ZINC000121042999 564350218 /nfs/dbraw/zinc/35/02/18/564350218.db2.gz OKUVKKIGCZUMHI-HNNXBMFYSA-N 1 2 393.247 3.374 10 0 GGAELO Cc1noc([C@H](C)N2CC[NH+](Cc3ccc(Br)cc3C)CC2)n1 ZINC000121334427 564364589 /nfs/dbraw/zinc/36/45/89/564364589.db2.gz YXFGHRWZBHAQOG-ZDUSSCGKSA-N 1 2 379.302 3.328 10 0 GGAELO CC[N@@H+]1CCc2nc(NS(=O)(=O)c3ccc(Cl)cc3F)sc2C1 ZINC000121496376 564371462 /nfs/dbraw/zinc/37/14/62/564371462.db2.gz BZPWZYYFJJNOKR-UHFFFAOYSA-N 1 2 375.878 3.114 10 0 GGAELO CC[N@H+]1CCc2nc(NS(=O)(=O)c3ccc(Cl)cc3F)sc2C1 ZINC000121496376 564371466 /nfs/dbraw/zinc/37/14/66/564371466.db2.gz BZPWZYYFJJNOKR-UHFFFAOYSA-N 1 2 375.878 3.114 10 0 GGAELO Cc1cc(N2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)n2ncnc2n1 ZINC000029723556 564372826 /nfs/dbraw/zinc/37/28/26/564372826.db2.gz VBMPEBGACFLISQ-UHFFFAOYSA-N 1 2 377.279 3.062 10 0 GGAELO Cc1cc(N2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)n2ncnc2n1 ZINC000029721542 564373050 /nfs/dbraw/zinc/37/30/50/564373050.db2.gz FULZRHRWWVWYPW-UHFFFAOYSA-N 1 2 377.279 3.062 10 0 GGAELO Brc1ccc(N2CC[NH+](Cc3cnn(-c4ccccc4)c3)CC2)nc1 ZINC000030202048 564376816 /nfs/dbraw/zinc/37/68/16/564376816.db2.gz LVXNJXDCNPUCSC-UHFFFAOYSA-N 1 2 398.308 3.352 10 0 GGAELO COC(=O)c1ccc([C@@H](C)[NH+]2CCN(c3ccc(Br)cn3)CC2)o1 ZINC000030203684 564377145 /nfs/dbraw/zinc/37/71/45/564377145.db2.gz DMWDHMAJPQGXGA-GFCCVEGCSA-N 1 2 394.269 3.107 10 0 GGAELO CCCS(=O)(=O)NC1CC[NH+](CCOc2c(Cl)cccc2Cl)CC1 ZINC000030132943 564377234 /nfs/dbraw/zinc/37/72/34/564377234.db2.gz BKRURYWOFRLNBE-UHFFFAOYSA-N 1 2 395.352 3.166 10 0 GGAELO CCOc1ccc(C[NH+]2CCN(C(=O)c3coc(Br)c3)CC2)cc1 ZINC000032466597 564401880 /nfs/dbraw/zinc/40/18/80/564401880.db2.gz CZKPUZXQJQSQSW-UHFFFAOYSA-N 1 2 393.281 3.399 10 0 GGAELO Clc1cc(Cl)c2c(c1)C=C(C[N@@H+]1CCO[C@@H](Cn3cccn3)C1)CO2 ZINC000122180366 564402917 /nfs/dbraw/zinc/40/29/17/564402917.db2.gz 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ZINC000184962289 565167354 /nfs/dbraw/zinc/16/73/54/565167354.db2.gz YOUNNOKDBPPWAW-ZDUSSCGKSA-N 1 2 393.329 3.310 10 0 GGAELO CC(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2nc3ccc(Br)cc3[nH]2)C1 ZINC000184962289 565167359 /nfs/dbraw/zinc/16/73/59/565167359.db2.gz YOUNNOKDBPPWAW-ZDUSSCGKSA-N 1 2 393.329 3.310 10 0 GGAELO O=C(NCC1CC1)[C@H]1CCC[N@@H+](Cc2nc3ccc(Br)cc3[nH]2)C1 ZINC000184948058 565167773 /nfs/dbraw/zinc/16/77/73/565167773.db2.gz CXENTSSZTDVLJP-ZDUSSCGKSA-N 1 2 391.313 3.064 10 0 GGAELO O=C(NCC1CC1)[C@H]1CCC[N@H+](Cc2nc3ccc(Br)cc3[nH]2)C1 ZINC000184948058 565167778 /nfs/dbraw/zinc/16/77/78/565167778.db2.gz CXENTSSZTDVLJP-ZDUSSCGKSA-N 1 2 391.313 3.064 10 0 GGAELO O=C(c1cccs1)N1CCC[N@@H+](C[C@H](O)c2ccc(F)cc2Cl)CC1 ZINC000185010097 565172141 /nfs/dbraw/zinc/17/21/41/565172141.db2.gz QRIJLDAKXLHEHW-INIZCTEOSA-N 1 2 382.888 3.422 10 0 GGAELO O=C(c1cccs1)N1CCC[N@H+](C[C@H](O)c2ccc(F)cc2Cl)CC1 ZINC000185010097 565172143 /nfs/dbraw/zinc/17/21/43/565172143.db2.gz QRIJLDAKXLHEHW-INIZCTEOSA-N 1 2 382.888 3.422 10 0 GGAELO CCCCn1c(SCc2nsc(N(C)C)n2)nnc1[C@H](CC)[NH+](C)C ZINC000158544355 565173515 /nfs/dbraw/zinc/17/35/15/565173515.db2.gz RZGAPUUEKFPJRD-LBPRGKRZSA-N 1 2 383.591 3.301 10 0 GGAELO Brc1ccc(-c2cnc(C[N@@H+]3CCO[C@]4(CCOC4)C3)o2)cc1 ZINC000185155950 565182034 /nfs/dbraw/zinc/18/20/34/565182034.db2.gz AMGCKPAFAIKRCE-QGZVFWFLSA-N 1 2 379.254 3.095 10 0 GGAELO Brc1ccc(-c2cnc(C[N@H+]3CCO[C@]4(CCOC4)C3)o2)cc1 ZINC000185155950 565182037 /nfs/dbraw/zinc/18/20/37/565182037.db2.gz AMGCKPAFAIKRCE-QGZVFWFLSA-N 1 2 379.254 3.095 10 0 GGAELO Brc1ccc(-c2cnc(C[N@@H+]3CCO[C@@]4(CCOC4)C3)o2)cc1 ZINC000185155975 565182243 /nfs/dbraw/zinc/18/22/43/565182243.db2.gz AMGCKPAFAIKRCE-KRWDZBQOSA-N 1 2 379.254 3.095 10 0 GGAELO Brc1ccc(-c2cnc(C[N@H+]3CCO[C@@]4(CCOC4)C3)o2)cc1 ZINC000185155975 565182247 /nfs/dbraw/zinc/18/22/47/565182247.db2.gz AMGCKPAFAIKRCE-KRWDZBQOSA-N 1 2 379.254 3.095 10 0 GGAELO O=C(CCCOc1ccccc1Br)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000371280194 565184345 /nfs/dbraw/zinc/18/43/45/565184345.db2.gz NZOCKNGKXUEILP-GFCCVEGCSA-N 1 2 378.270 3.005 10 0 GGAELO O=C(CCCOc1ccccc1Br)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000371280194 565184352 /nfs/dbraw/zinc/18/43/52/565184352.db2.gz NZOCKNGKXUEILP-GFCCVEGCSA-N 1 2 378.270 3.005 10 0 GGAELO O=C(CCCOc1ccccc1Br)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000371280195 565184762 /nfs/dbraw/zinc/18/47/62/565184762.db2.gz NZOCKNGKXUEILP-LBPRGKRZSA-N 1 2 378.270 3.005 10 0 GGAELO O=C(CCCOc1ccccc1Br)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000371280195 565184769 /nfs/dbraw/zinc/18/47/69/565184769.db2.gz NZOCKNGKXUEILP-LBPRGKRZSA-N 1 2 378.270 3.005 10 0 GGAELO C[C@@H](CC(=O)c1cccc(Br)c1)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000371301339 565185903 /nfs/dbraw/zinc/18/59/03/565185903.db2.gz FDQXBWOMLKWPRC-SMDDNHRTSA-N 1 2 390.281 3.055 10 0 GGAELO C[C@@H](CC(=O)c1cccc(Br)c1)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000371301339 565185908 /nfs/dbraw/zinc/18/59/08/565185908.db2.gz FDQXBWOMLKWPRC-SMDDNHRTSA-N 1 2 390.281 3.055 10 0 GGAELO O=C(CCCOc1cccc(Br)c1)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000371307155 565186344 /nfs/dbraw/zinc/18/63/44/565186344.db2.gz BGCRAKVCUSAPJN-ZDUSSCGKSA-N 1 2 378.270 3.005 10 0 GGAELO O=C(CCCOc1cccc(Br)c1)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000371307155 565186347 /nfs/dbraw/zinc/18/63/47/565186347.db2.gz BGCRAKVCUSAPJN-ZDUSSCGKSA-N 1 2 378.270 3.005 10 0 GGAELO CN(C)c1[nH+]cccc1CNC(=O)CSc1cccc(Br)c1 ZINC000158883438 565186410 /nfs/dbraw/zinc/18/64/10/565186410.db2.gz SNXBDWJQAYLJGJ-UHFFFAOYSA-N 1 2 380.311 3.319 10 0 GGAELO Cc1ccc(CS(=O)(=O)CC(=O)Nc2ccccc2Br)c(C)[nH+]1 ZINC000185244834 565189712 /nfs/dbraw/zinc/18/97/12/565189712.db2.gz MYBXCHNZDBHMEG-UHFFFAOYSA-N 1 2 397.294 3.014 10 0 GGAELO CCC1(CC)C[N@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)CC[S@]1=O ZINC000185256347 565190404 /nfs/dbraw/zinc/19/04/04/565190404.db2.gz NRAKNQKYJGBZNW-LFPIHBKWSA-N 1 2 394.364 3.356 10 0 GGAELO CCC1(CC)C[N@@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)CC[S@]1=O ZINC000185256347 565190411 /nfs/dbraw/zinc/19/04/11/565190411.db2.gz NRAKNQKYJGBZNW-LFPIHBKWSA-N 1 2 394.364 3.356 10 0 GGAELO CCCC(=O)N[C@@H]1CCC[N@H+](Cc2nc3cc(Br)ccc3[nH]2)C1 ZINC000159155901 565196440 /nfs/dbraw/zinc/19/64/40/565196440.db2.gz ACLSMGYRGPINKX-CYBMUJFWSA-N 1 2 379.302 3.206 10 0 GGAELO CCCC(=O)N[C@@H]1CCC[N@@H+](Cc2nc3cc(Br)ccc3[nH]2)C1 ZINC000159155901 565196444 /nfs/dbraw/zinc/19/64/44/565196444.db2.gz ACLSMGYRGPINKX-CYBMUJFWSA-N 1 2 379.302 3.206 10 0 GGAELO Cc1nc(N2CCN(C(=O)[C@H](C)Sc3ccccc3Cl)CC2)cc[nH+]1 ZINC000185422942 565200434 /nfs/dbraw/zinc/20/04/34/565200434.db2.gz UPJDHXYQMSGQFC-ZDUSSCGKSA-N 1 2 376.913 3.268 10 0 GGAELO Cc1nc(N2CCN(C(=O)c3ccc(Br)cc3Cl)CC2)cc[nH+]1 ZINC000185422875 565200916 /nfs/dbraw/zinc/20/09/16/565200916.db2.gz DBLCXUWZSSDHOI-UHFFFAOYSA-N 1 2 395.688 3.163 10 0 GGAELO Cc1nc(N2CCN(C(=O)c3cccc(Br)c3Cl)CC2)cc[nH+]1 ZINC000185428452 565201999 /nfs/dbraw/zinc/20/19/99/565201999.db2.gz JXCYPWKPAIJSDJ-UHFFFAOYSA-N 1 2 395.688 3.163 10 0 GGAELO CSCCCCCNC(=O)NC[C@@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1 ZINC000185590605 565209705 /nfs/dbraw/zinc/20/97/05/565209705.db2.gz VBCWNHOFLJMIQY-CVEARBPZSA-N 1 2 385.599 3.342 10 0 GGAELO CSCCCCCNC(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@H](C)C1 ZINC000185590605 565209710 /nfs/dbraw/zinc/20/97/10/565209710.db2.gz VBCWNHOFLJMIQY-CVEARBPZSA-N 1 2 385.599 3.342 10 0 GGAELO CSCCCCCNC(=O)NC[C@@H](c1ccc(C)s1)[NH+]1CCOCC1 ZINC000185590008 565210085 /nfs/dbraw/zinc/21/00/85/565210085.db2.gz UFZOXGHCQGUERQ-INIZCTEOSA-N 1 2 385.599 3.262 10 0 GGAELO O=C(Cc1sccc1Br)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000294517425 565215442 /nfs/dbraw/zinc/21/54/42/565215442.db2.gz WGMAZNHJSPTSKE-UHFFFAOYSA-N 1 2 380.311 3.365 10 0 GGAELO Nc1c(Br)cc(Br)cc1C[N@H+]1[C@@H]2CC[C@H]1CC(O)C2 ZINC000185719576 565218509 /nfs/dbraw/zinc/21/85/09/565218509.db2.gz JECMPSUOLSFLHG-FOSCPWQOSA-N 1 2 390.119 3.282 10 0 GGAELO Nc1c(Br)cc(Br)cc1C[N@@H+]1[C@@H]2CC[C@H]1CC(O)C2 ZINC000185719576 565218511 /nfs/dbraw/zinc/21/85/11/565218511.db2.gz JECMPSUOLSFLHG-FOSCPWQOSA-N 1 2 390.119 3.282 10 0 GGAELO CCOc1c(Br)cc(C[NH2+]Cc2nnc(C3CC3)[nH]2)cc1OC ZINC000294713383 565224706 /nfs/dbraw/zinc/22/47/06/565224706.db2.gz DUOAZTMHWBMCEU-UHFFFAOYSA-N 1 2 381.274 3.142 10 0 GGAELO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)Cc1sccc1Br ZINC000294741514 565225661 /nfs/dbraw/zinc/22/56/61/565225661.db2.gz YDJSSHGGRFNVSL-UHFFFAOYSA-N 1 2 396.232 3.471 10 0 GGAELO C[C@@]1(C(N)=O)CCCC[N@@H+]1Cc1coc(-c2ccc(Br)cc2)n1 ZINC000185958493 565231150 /nfs/dbraw/zinc/23/11/50/565231150.db2.gz YXQVCHAFPUKZJL-KRWDZBQOSA-N 1 2 378.270 3.334 10 0 GGAELO C[C@@]1(C(N)=O)CCCC[N@H+]1Cc1coc(-c2ccc(Br)cc2)n1 ZINC000185958493 565231154 /nfs/dbraw/zinc/23/11/54/565231154.db2.gz YXQVCHAFPUKZJL-KRWDZBQOSA-N 1 2 378.270 3.334 10 0 GGAELO COC(=O)[C@H](c1cccc(Br)c1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000372450207 565238647 /nfs/dbraw/zinc/23/86/47/565238647.db2.gz RXDYUXTWQIBXPC-INIZCTEOSA-N 1 2 378.270 3.266 10 0 GGAELO O=C(Cc1ccc(F)cc1Br)NC1CCN(c2cccc[nH+]2)CC1 ZINC000186145706 565242315 /nfs/dbraw/zinc/24/23/15/565242315.db2.gz YQOJFVKUQMCMKB-UHFFFAOYSA-N 1 2 392.272 3.311 10 0 GGAELO NC(=O)[C@@H]([NH2+][C@@H]1CCOc2c(Br)cccc21)c1ccc(F)cc1 ZINC000372519650 565243103 /nfs/dbraw/zinc/24/31/03/565243103.db2.gz BFRUCWYYCNHFRW-CABCVRRESA-N 1 2 379.229 3.228 10 0 GGAELO Cc1nn(C)c(C)c1C[NH2+][C@H](c1ccc(Br)cc1)c1cncnc1 ZINC000186155797 565243608 /nfs/dbraw/zinc/24/36/08/565243608.db2.gz PRRNQLMTZYONII-GOSISDBHSA-N 1 2 386.297 3.469 10 0 GGAELO C[C@H]1CCN(C(=O)c2cc(Br)c(F)cc2O)C[C@@H]1n1cc[nH+]c1 ZINC000295120762 565246481 /nfs/dbraw/zinc/24/64/81/565246481.db2.gz MJCKRGBJKRLFHM-HZMBPMFUSA-N 1 2 382.233 3.214 10 0 GGAELO C[C@@H]1CCN(C(=O)c2cc(Br)c(F)cc2O)C[C@@H]1n1cc[nH+]c1 ZINC000295120769 565246838 /nfs/dbraw/zinc/24/68/38/565246838.db2.gz MJCKRGBJKRLFHM-YGRLFVJLSA-N 1 2 382.233 3.214 10 0 GGAELO Cc1c([C@H](C)[NH2+][C@@H](C)c2cn[nH]c2)nnn1-c1cccc(Br)c1 ZINC000271478469 565255127 /nfs/dbraw/zinc/25/51/27/565255127.db2.gz JJIOKSWTGMPZLZ-QWRGUYRKSA-N 1 2 375.274 3.473 10 0 GGAELO Cc1c([C@@H](C)[NH2+][C@H](C)c2cn[nH]c2)nnn1-c1cccc(Br)c1 ZINC000271478461 565256116 /nfs/dbraw/zinc/25/61/16/565256116.db2.gz JJIOKSWTGMPZLZ-GHMZBOCLSA-N 1 2 375.274 3.473 10 0 GGAELO O=C(c1cc(Br)cnc1Cl)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186444209 565261183 /nfs/dbraw/zinc/26/11/83/565261183.db2.gz JMCOLPYBFASIHJ-UHFFFAOYSA-N 1 2 395.688 3.245 10 0 GGAELO COc1ccc(Br)cc1CC(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C ZINC000295376786 565262051 /nfs/dbraw/zinc/26/20/51/565262051.db2.gz DMMAXIINUWXZQJ-INIZCTEOSA-N 1 2 392.297 3.343 10 0 GGAELO O=C(CCCC(=O)c1ccc(Br)cc1)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000373093560 565268881 /nfs/dbraw/zinc/26/88/81/565268881.db2.gz WUGDBBQGVWOANB-AWEZNQCLSA-N 1 2 390.281 3.199 10 0 GGAELO O=C(CCCC(=O)c1ccc(Br)cc1)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000373093560 565268884 /nfs/dbraw/zinc/26/88/84/565268884.db2.gz WUGDBBQGVWOANB-AWEZNQCLSA-N 1 2 390.281 3.199 10 0 GGAELO O=C1[C@H]([N@@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)CCN1c1ccccc1Cl ZINC000373115422 565270262 /nfs/dbraw/zinc/27/02/62/565270262.db2.gz KKAVZBROFSVDSX-DFBGVHRSSA-N 1 2 376.806 3.081 10 0 GGAELO O=C1[C@H]([N@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)CCN1c1ccccc1Cl ZINC000373115422 565270266 /nfs/dbraw/zinc/27/02/66/565270266.db2.gz KKAVZBROFSVDSX-DFBGVHRSSA-N 1 2 376.806 3.081 10 0 GGAELO O=C1[C@H]([N@@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)CCN1c1ccccc1Cl ZINC000373115424 565270457 /nfs/dbraw/zinc/27/04/57/565270457.db2.gz KKAVZBROFSVDSX-KCPJHIHWSA-N 1 2 376.806 3.081 10 0 GGAELO O=C1[C@H]([N@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)CCN1c1ccccc1Cl ZINC000373115424 565270460 /nfs/dbraw/zinc/27/04/60/565270460.db2.gz KKAVZBROFSVDSX-KCPJHIHWSA-N 1 2 376.806 3.081 10 0 GGAELO Cc1cn2c([nH+]1)CN(C(=O)CCSc1ccccc1Br)CC2 ZINC000373298957 565277835 /nfs/dbraw/zinc/27/78/35/565277835.db2.gz CMWNNBFJBQEUMZ-UHFFFAOYSA-N 1 2 380.311 3.479 10 0 GGAELO O=C(c1nc(Cl)cs1)N1CCN(c2cc(C(F)(F)F)cc[nH+]2)CC1 ZINC000373510357 565289785 /nfs/dbraw/zinc/28/97/85/565289785.db2.gz SWOPIJCPLBAHEW-UHFFFAOYSA-N 1 2 376.791 3.173 10 0 GGAELO CN(C)C(=O)CC1CC[NH+](Cc2nc3cc(Br)ccc3[nH]2)CC1 ZINC000161710352 565291526 /nfs/dbraw/zinc/29/15/26/565291526.db2.gz YXZDAPPPERBQMO-UHFFFAOYSA-N 1 2 379.302 3.016 10 0 GGAELO CN(C)C(=O)CC1CC[NH+](Cc2nc3ccc(Br)cc3[nH]2)CC1 ZINC000161710352 565291532 /nfs/dbraw/zinc/29/15/32/565291532.db2.gz YXZDAPPPERBQMO-UHFFFAOYSA-N 1 2 379.302 3.016 10 0 GGAELO C[C@@H](C[N@@H+]1CCSC[C@@H]1c1cccc(C(F)(F)F)c1)CS(C)(=O)=O ZINC000186859274 565291497 /nfs/dbraw/zinc/29/14/97/565291497.db2.gz KTFXWKZZSGHOHY-SWLSCSKDSA-N 1 2 381.485 3.476 10 0 GGAELO C[C@@H](C[N@H+]1CCSC[C@@H]1c1cccc(C(F)(F)F)c1)CS(C)(=O)=O ZINC000186859274 565291505 /nfs/dbraw/zinc/29/15/05/565291505.db2.gz KTFXWKZZSGHOHY-SWLSCSKDSA-N 1 2 381.485 3.476 10 0 GGAELO Cn1cc[nH+]c1[C@H]1N(C(=O)c2n[nH]c3ccc(Br)cc32)CC1(C)C ZINC000295901897 565293019 /nfs/dbraw/zinc/29/30/19/565293019.db2.gz NKNPXIBZTKDZNW-CQSZACIVSA-N 1 2 388.269 3.282 10 0 GGAELO Cc1ccc(C[N@@H+]2CCCN(S(=O)(=O)c3ccc(Cl)s3)CC2)c(C)n1 ZINC000186904537 565293704 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CCn1cc[nH+]c1CNC(=O)NCC1(c2ccccc2Br)CC1 ZINC000296208430 565306721 /nfs/dbraw/zinc/30/67/21/565306721.db2.gz ADWKVMBCUXPQKB-UHFFFAOYSA-N 1 2 377.286 3.197 10 0 GGAELO O=C(C[N@@H+]1CCC[C@@H](c2ccncn2)C1)Nc1ccc(Br)cc1F ZINC000373939287 565310906 /nfs/dbraw/zinc/31/09/06/565310906.db2.gz REUSYZPRKXTXCL-GFCCVEGCSA-N 1 2 393.260 3.196 10 0 GGAELO O=C(C[N@H+]1CCC[C@@H](c2ccncn2)C1)Nc1ccc(Br)cc1F ZINC000373939287 565310911 /nfs/dbraw/zinc/31/09/11/565310911.db2.gz REUSYZPRKXTXCL-GFCCVEGCSA-N 1 2 393.260 3.196 10 0 GGAELO CO[C@@H](C)c1noc(CN(C)Cc2c[nH+]c3c(C)cc(Br)cn23)n1 ZINC000273180054 565311755 /nfs/dbraw/zinc/31/17/55/565311755.db2.gz ODTLKPXJANMNCT-NSHDSACASA-N 1 2 394.273 3.128 10 0 GGAELO CCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1Cl)C[C@@H](C)CS(C)(=O)=O ZINC000162294667 565312702 /nfs/dbraw/zinc/31/27/02/565312702.db2.gz JJBPBDHHIRSDHB-GFCCVEGCSA-N 1 2 395.352 3.325 10 0 GGAELO CCC[N@H+](CC(=O)Nc1ccc(Cl)cc1Cl)C[C@@H](C)CS(C)(=O)=O ZINC000162294667 565312710 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ZINC000189777199 565488499 /nfs/dbraw/zinc/48/84/99/565488499.db2.gz BKHRDOQOUDMSMB-SJORKVTESA-N 1 2 384.954 3.309 10 0 GGAELO C[C@@H](C(=O)Nc1ncccn1)[NH+]1CCC(c2ccccc2Br)CC1 ZINC000189806201 565489986 /nfs/dbraw/zinc/48/99/86/565489986.db2.gz CRSSMHOJDYOMJM-ZDUSSCGKSA-N 1 2 389.297 3.446 10 0 GGAELO O=S(=O)(Cc1c(Cl)cccc1Cl)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000377659416 565490777 /nfs/dbraw/zinc/49/07/77/565490777.db2.gz YWDFEAROYXRGMW-UHFFFAOYSA-N 1 2 397.287 3.194 10 0 GGAELO C[C@H](N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)cc1)c1ncc(Br)cn1 ZINC000377680517 565492962 /nfs/dbraw/zinc/49/29/62/565492962.db2.gz VRTBYOWQLUQEJG-UVBJJODRSA-N 1 2 379.277 3.474 10 0 GGAELO C[C@H](N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)cc1)c1ncc(Br)cn1 ZINC000377680517 565492968 /nfs/dbraw/zinc/49/29/68/565492968.db2.gz VRTBYOWQLUQEJG-UVBJJODRSA-N 1 2 379.277 3.474 10 0 GGAELO O=C(NCc1ccc[nH+]c1N1CCOCC1)c1c(Cl)cc(F)cc1Cl ZINC000277385269 565493469 /nfs/dbraw/zinc/49/34/69/565493469.db2.gz NANZJVNZKXYQBR-UHFFFAOYSA-N 1 2 384.238 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/nfs/dbraw/zinc/50/23/45/565502345.db2.gz OKVXDEHYHKYGCY-ZDUSSCGKSA-N 1 2 375.321 3.019 10 0 GGAELO O=C(CSc1cc(Cl)ccc1Cl)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172762314 565502704 /nfs/dbraw/zinc/50/27/04/565502704.db2.gz OKVXDEHYHKYGCY-CYBMUJFWSA-N 1 2 375.321 3.019 10 0 GGAELO O=C(CCCOc1ccc(Cl)cc1Cl)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172745843 565502984 /nfs/dbraw/zinc/50/29/84/565502984.db2.gz NXRFZSPLDQDXPQ-HNNXBMFYSA-N 1 2 387.307 3.086 10 0 GGAELO Cc1nc(N2CCN(Cc3ccc(Br)cc3)CC2)c(C)c(C)[nH+]1 ZINC000301727454 565508288 /nfs/dbraw/zinc/50/82/88/565508288.db2.gz VUBYPICLNJEKRT-UHFFFAOYSA-N 1 2 375.314 3.487 10 0 GGAELO O=C(N[C@@H]1CCc2c1cccc2Br)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000378051243 565510158 /nfs/dbraw/zinc/51/01/58/565510158.db2.gz HJDXFQKBAHAHPT-QMTHXVAHSA-N 1 2 375.270 3.016 10 0 GGAELO O=C(N[C@@H]1CCc2c1cccc2Br)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000378051243 565510162 /nfs/dbraw/zinc/51/01/62/565510162.db2.gz HJDXFQKBAHAHPT-QMTHXVAHSA-N 1 2 375.270 3.016 10 0 GGAELO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)NC1(c2ccc(Br)cc2)CC1 ZINC000378113380 565513116 /nfs/dbraw/zinc/51/31/16/565513116.db2.gz PNTMPEFJYWLTHN-ZDUSSCGKSA-N 1 2 375.270 3.018 10 0 GGAELO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)NC1(c2ccc(Br)cc2)CC1 ZINC000378113380 565513121 /nfs/dbraw/zinc/51/31/21/565513121.db2.gz PNTMPEFJYWLTHN-ZDUSSCGKSA-N 1 2 375.270 3.018 10 0 GGAELO O=C1[C@H]([N@@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)CCN1c1ccc(Cl)cc1 ZINC000277662793 565513478 /nfs/dbraw/zinc/51/34/78/565513478.db2.gz FBCRFYDXJJMEPS-KCPJHIHWSA-N 1 2 376.806 3.081 10 0 GGAELO O=C1[C@H]([N@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)CCN1c1ccc(Cl)cc1 ZINC000277662793 565513484 /nfs/dbraw/zinc/51/34/84/565513484.db2.gz FBCRFYDXJJMEPS-KCPJHIHWSA-N 1 2 376.806 3.081 10 0 GGAELO C[N@@H+]1CC[C@H](Nc2ncc(C(N)=O)cc2Cl)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000301858972 565513910 /nfs/dbraw/zinc/51/39/10/565513910.db2.gz SIXXZLLJWYRIGY-GJZGRUSLSA-N 1 2 383.254 3.484 10 0 GGAELO C[N@H+]1CC[C@H](Nc2ncc(C(N)=O)cc2Cl)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000301858972 565513913 /nfs/dbraw/zinc/51/39/13/565513913.db2.gz SIXXZLLJWYRIGY-GJZGRUSLSA-N 1 2 383.254 3.484 10 0 GGAELO C[N@@H+]1CC[C@@H](Nc2ncc(C(N)=O)cc2Cl)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000301858970 565514438 /nfs/dbraw/zinc/51/44/38/565514438.db2.gz SIXXZLLJWYRIGY-CABCVRRESA-N 1 2 383.254 3.484 10 0 GGAELO C[N@H+]1CC[C@@H](Nc2ncc(C(N)=O)cc2Cl)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000301858970 565514443 /nfs/dbraw/zinc/51/44/43/565514443.db2.gz SIXXZLLJWYRIGY-CABCVRRESA-N 1 2 383.254 3.484 10 0 GGAELO CC[C@H](Cc1cccc(Br)c1)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000378200158 565515852 /nfs/dbraw/zinc/51/58/52/565515852.db2.gz JZDCQNSYEHSUGD-UKRRQHHQSA-N 1 2 376.298 3.415 10 0 GGAELO CC[C@H](Cc1cccc(Br)c1)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000378200158 565515857 /nfs/dbraw/zinc/51/58/57/565515857.db2.gz JZDCQNSYEHSUGD-UKRRQHHQSA-N 1 2 376.298 3.415 10 0 GGAELO O=C1[C@H]([N@@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)CCN1c1cccc(Cl)c1 ZINC000277729629 565516420 /nfs/dbraw/zinc/51/64/20/565516420.db2.gz JYALJTRZWMNGPE-GLQYFDAESA-N 1 2 376.806 3.081 10 0 GGAELO O=C1[C@H]([N@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)CCN1c1cccc(Cl)c1 ZINC000277729629 565516426 /nfs/dbraw/zinc/51/64/26/565516426.db2.gz JYALJTRZWMNGPE-GLQYFDAESA-N 1 2 376.806 3.081 10 0 GGAELO Cc1[nH+]ccn1CCCCNC(=O)c1n[nH]c2ccc(Br)cc21 ZINC000173024384 565520369 /nfs/dbraw/zinc/52/03/69/565520369.db2.gz VNIYYYLDNTYGKD-UHFFFAOYSA-N 1 2 376.258 3.041 10 0 GGAELO CC[C@H](Cc1ccccc1Br)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000378310073 565521506 /nfs/dbraw/zinc/52/15/06/565521506.db2.gz NZDHCKOLPYZBGF-OCCSQVGLSA-N 1 2 376.298 3.415 10 0 GGAELO CC[C@H](Cc1ccccc1Br)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000378310073 565521509 /nfs/dbraw/zinc/52/15/09/565521509.db2.gz NZDHCKOLPYZBGF-OCCSQVGLSA-N 1 2 376.298 3.415 10 0 GGAELO Cn1nc(Br)c2c1nc[nH+]c2N[C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000378411094 565526036 /nfs/dbraw/zinc/52/60/36/565526036.db2.gz KHGFLVQMBWWVLE-TZMCWYRMSA-N 1 2 388.269 3.316 10 0 GGAELO O=C(c1cc(=O)[nH]c2ccc(Br)cc21)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000378513214 565531867 /nfs/dbraw/zinc/53/18/67/565531867.db2.gz AYBHRHDURUJJID-AWEZNQCLSA-N 1 2 387.237 3.403 10 0 GGAELO Cn1nc(Br)c2c1nc[nH+]c2NCc1nc2ccccc2n1C1CC1 ZINC000302148563 565533054 /nfs/dbraw/zinc/53/30/54/565533054.db2.gz JERKIEGYNJEZLC-UHFFFAOYSA-N 1 2 398.268 3.423 10 0 GGAELO Brc1cccc(C2(c3noc(Cn4cc[nH+]c4)n3)CCOCC2)c1 ZINC000277999648 565533751 /nfs/dbraw/zinc/53/37/51/565533751.db2.gz WGUSHPVGMXZSCH-UHFFFAOYSA-N 1 2 389.253 3.173 10 0 GGAELO O=C1[C@@H]([NH+]2CCC(n3cncn3)CC2)CCN1c1ccc(Cl)cc1Cl ZINC000190495353 565535348 /nfs/dbraw/zinc/53/53/48/565535348.db2.gz TWMBNZBFAYIVJV-INIZCTEOSA-N 1 2 380.279 3.027 10 0 GGAELO O=C1[C@H]([N@@H+]2CCC[C@H](n3cncn3)C2)CCN1c1ccc(Cl)cc1Cl ZINC000190527631 565540372 /nfs/dbraw/zinc/54/03/72/565540372.db2.gz XEHQBDQVFPDVPS-XJKSGUPXSA-N 1 2 380.279 3.027 10 0 GGAELO O=C1[C@H]([N@H+]2CCC[C@H](n3cncn3)C2)CCN1c1ccc(Cl)cc1Cl ZINC000190527631 565540375 /nfs/dbraw/zinc/54/03/75/565540375.db2.gz XEHQBDQVFPDVPS-XJKSGUPXSA-N 1 2 380.279 3.027 10 0 GGAELO CC(C)Cn1cc[nH+]c1CNC(=O)C(=O)Nc1cc(Cl)c(F)c(Cl)c1 ZINC000190546476 565541711 /nfs/dbraw/zinc/54/17/11/565541711.db2.gz JUIJAPSYVFFEPR-UHFFFAOYSA-N 1 2 387.242 3.240 10 0 GGAELO CN(CC(=O)OC(C)(C)C)C1CC[NH+](Cc2ccc(Br)o2)CC1 ZINC000190580202 565543976 /nfs/dbraw/zinc/54/39/76/565543976.db2.gz HNCKHRBUDOMDSF-UHFFFAOYSA-N 1 2 387.318 3.280 10 0 GGAELO CCc1cnc(CNC(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)s1 ZINC000190630117 565547057 /nfs/dbraw/zinc/54/70/57/565547057.db2.gz XYKVJLGTPOCANI-UHFFFAOYSA-N 1 2 378.929 3.216 10 0 GGAELO CCc1cnc(CNC(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)s1 ZINC000190630117 565547060 /nfs/dbraw/zinc/54/70/60/565547060.db2.gz XYKVJLGTPOCANI-UHFFFAOYSA-N 1 2 378.929 3.216 10 0 GGAELO O=C(C[NH2+]Cc1ccsc1Br)Nc1ccc2c(c1)OCCO2 ZINC000388429391 565550438 /nfs/dbraw/zinc/55/04/38/565550438.db2.gz MOZORGWAVULVSO-UHFFFAOYSA-N 1 2 383.267 3.010 10 0 GGAELO COc1ccc(Br)cc1CC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000173354406 565551275 /nfs/dbraw/zinc/55/12/75/565551275.db2.gz NAGAQKBFAJRRIU-UHFFFAOYSA-N 1 2 378.270 3.060 10 0 GGAELO COc1ccc(Br)cc1CC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000173350850 565551619 /nfs/dbraw/zinc/55/16/19/565551619.db2.gz JTUSANUPUOUDTG-AWEZNQCLSA-N 1 2 378.270 3.477 10 0 GGAELO C[C@@H]([NH2+]Cc1c(Br)cnn1C)c1cccc(N2CCCC2=O)c1 ZINC000278357948 565553013 /nfs/dbraw/zinc/55/30/13/565553013.db2.gz IOEVYISBJHGCON-GFCCVEGCSA-N 1 2 377.286 3.160 10 0 GGAELO CCc1nnc(C2CC[NH+](CC(=O)Nc3ccc(Cl)c(Cl)c3)CC2)[nH]1 ZINC000190721211 565553847 /nfs/dbraw/zinc/55/38/47/565553847.db2.gz GLSAJIGKNAJYNY-UHFFFAOYSA-N 1 2 382.295 3.492 10 0 GGAELO CCc1n[nH]c(C2CC[NH+](CC(=O)Nc3ccc(Cl)c(Cl)c3)CC2)n1 ZINC000190721211 565553851 /nfs/dbraw/zinc/55/38/51/565553851.db2.gz GLSAJIGKNAJYNY-UHFFFAOYSA-N 1 2 382.295 3.492 10 0 GGAELO CCc1nc(C2CC[NH+](CC(=O)Nc3ccc(Cl)c(Cl)c3)CC2)n[nH]1 ZINC000190721211 565553853 /nfs/dbraw/zinc/55/38/53/565553853.db2.gz GLSAJIGKNAJYNY-UHFFFAOYSA-N 1 2 382.295 3.492 10 0 GGAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2ccc(Cl)cc2Cl)nc[nH+]1 ZINC000173442861 565557368 /nfs/dbraw/zinc/55/73/68/565557368.db2.gz XNEPJUFCLFKTKM-GFCCVEGCSA-N 1 2 380.279 3.224 10 0 GGAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2ccc(Cl)cc2Cl)[nH+]cn1 ZINC000173442861 565557371 /nfs/dbraw/zinc/55/73/71/565557371.db2.gz XNEPJUFCLFKTKM-GFCCVEGCSA-N 1 2 380.279 3.224 10 0 GGAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2ccc(Cl)cc2Cl)nc[nH+]1 ZINC000173442877 565557727 /nfs/dbraw/zinc/55/77/27/565557727.db2.gz XNEPJUFCLFKTKM-LBPRGKRZSA-N 1 2 380.279 3.224 10 0 GGAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2ccc(Cl)cc2Cl)[nH+]cn1 ZINC000173442877 565557732 /nfs/dbraw/zinc/55/77/32/565557732.db2.gz XNEPJUFCLFKTKM-LBPRGKRZSA-N 1 2 380.279 3.224 10 0 GGAELO O=C(NCC[N@@H+]1CCc2c(Cl)cccc2C1)NCc1ccc(Cl)cn1 ZINC000190806683 565560745 /nfs/dbraw/zinc/56/07/45/565560745.db2.gz ZEIHLRKLTUTSIM-UHFFFAOYSA-N 1 2 379.291 3.246 10 0 GGAELO O=C(NCC[N@H+]1CCc2c(Cl)cccc2C1)NCc1ccc(Cl)cn1 ZINC000190806683 565560748 /nfs/dbraw/zinc/56/07/48/565560748.db2.gz ZEIHLRKLTUTSIM-UHFFFAOYSA-N 1 2 379.291 3.246 10 0 GGAELO OC[C@@H]1CCCCN1c1cc(NCc2cc(F)cc(Br)c2)[nH+]cn1 ZINC000302875191 565561738 /nfs/dbraw/zinc/56/17/38/565561738.db2.gz DVZDMXVDEDPEDR-HNNXBMFYSA-N 1 2 395.276 3.342 10 0 GGAELO OC[C@@H]1CCCCN1c1cc(NCc2cc(F)cc(Br)c2)nc[nH+]1 ZINC000302875191 565561740 /nfs/dbraw/zinc/56/17/40/565561740.db2.gz DVZDMXVDEDPEDR-HNNXBMFYSA-N 1 2 395.276 3.342 10 0 GGAELO C[C@@H](CNc1nc2c(cnn2C)c(N)[nH+]1)Sc1ccc(Br)cc1 ZINC000302885621 565563243 /nfs/dbraw/zinc/56/32/43/565563243.db2.gz MNPIEFBCORTSEZ-VIFPVBQESA-N 1 2 393.314 3.301 10 0 GGAELO O=C1C[C@H]([NH2+]Cc2ncc(C(F)(F)F)s2)CN1c1c(F)cccc1F ZINC000278591099 565567965 /nfs/dbraw/zinc/56/79/65/565567965.db2.gz GXXVVLHIDHCPLC-QMMMGPOBSA-N 1 2 377.338 3.335 10 0 GGAELO CC(C)CC(=O)Nc1cccc(C[NH2+]Cc2c(Br)cnn2C)c1 ZINC000278593987 565568738 /nfs/dbraw/zinc/56/87/38/565568738.db2.gz ZXWGCGHQJRVTER-UHFFFAOYSA-N 1 2 379.302 3.457 10 0 GGAELO Cn1cc(Br)c(C[NH2+]Cc2cc(F)cc(Br)c2)n1 ZINC000393337973 565568894 /nfs/dbraw/zinc/56/88/94/565568894.db2.gz MRXGWUMIUVQYKW-UHFFFAOYSA-N 1 2 377.055 3.374 10 0 GGAELO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]Cc2ncc(C(F)(F)F)s2)cc1 ZINC000278713494 565574289 /nfs/dbraw/zinc/57/42/89/565574289.db2.gz SCFFWGGLNFHECC-LLVKDONJSA-N 1 2 378.441 3.422 10 0 GGAELO CC[N@H+](Cc1csc(CS(C)(=O)=O)n1)[C@H](C)Cc1ccc(OC)cc1 ZINC000173720573 565579714 /nfs/dbraw/zinc/57/97/14/565579714.db2.gz NLEUAAPQJSLQQB-CQSZACIVSA-N 1 2 382.551 3.149 10 0 GGAELO CC[N@@H+](Cc1csc(CS(C)(=O)=O)n1)[C@H](C)Cc1ccc(OC)cc1 ZINC000173720573 565579720 /nfs/dbraw/zinc/57/97/20/565579720.db2.gz NLEUAAPQJSLQQB-CQSZACIVSA-N 1 2 382.551 3.149 10 0 GGAELO C[C@H]([NH2+]Cc1ncc(I)s1)c1ccc2c(c1)OCO2 ZINC000311477810 565581125 /nfs/dbraw/zinc/58/11/25/565581125.db2.gz KHAXVQXNWCPAOL-QMMMGPOBSA-N 1 2 388.230 3.327 10 0 GGAELO COCC[C@H](COC)[NH2+]Cc1cc(Br)c(O)c(Br)c1 ZINC000311586187 565581158 /nfs/dbraw/zinc/58/11/58/565581158.db2.gz YRCLTWYSDXVYAU-SNVBAGLBSA-N 1 2 397.107 3.058 10 0 GGAELO COc1ccc([C@@H]2C[C@H](C)[N@H+](Cc3csc(CS(C)(=O)=O)n3)C2)cc1 ZINC000173774675 565585018 /nfs/dbraw/zinc/58/50/18/565585018.db2.gz UJVYZHNIPIAFKZ-DZGCQCFKSA-N 1 2 380.535 3.074 10 0 GGAELO COc1ccc([C@@H]2C[C@H](C)[N@@H+](Cc3csc(CS(C)(=O)=O)n3)C2)cc1 ZINC000173774675 565585023 /nfs/dbraw/zinc/58/50/23/565585023.db2.gz UJVYZHNIPIAFKZ-DZGCQCFKSA-N 1 2 380.535 3.074 10 0 GGAELO O=C(Nc1ccc(Br)cc1Cl)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173778422 565585368 /nfs/dbraw/zinc/58/53/68/565585368.db2.gz MSZBJHQBLUUQCD-GFCCVEGCSA-N 1 2 388.693 3.041 10 0 GGAELO C[C@@H](NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)c1c(Cl)ccc(F)c1Cl ZINC000173784527 565585926 /nfs/dbraw/zinc/58/59/26/565585926.db2.gz BNBGYUYCMMWVGM-NEPJUHHUSA-N 1 2 390.286 3.310 10 0 GGAELO C[C@H](NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)c1c(Cl)ccc(F)c1Cl ZINC000173784400 565586040 /nfs/dbraw/zinc/58/60/40/565586040.db2.gz BNBGYUYCMMWVGM-RYUDHWBXSA-N 1 2 390.286 3.310 10 0 GGAELO C[C@@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)c1cccc(Br)c1 ZINC000173792045 565586263 /nfs/dbraw/zinc/58/62/63/565586263.db2.gz SNQBPINAHIPWNT-RHSMWYFYSA-N 1 2 396.329 3.016 10 0 GGAELO C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173798567 565587392 /nfs/dbraw/zinc/58/73/92/565587392.db2.gz UHLSFJNWYXATIC-BBRMVZONSA-N 1 2 386.323 3.041 10 0 GGAELO CN(C)C(=O)Sc1ccc(C[N@@H+]2CCSC[C@@H]2c2cnn(C)c2)cc1 ZINC000191199134 565587943 /nfs/dbraw/zinc/58/79/43/565587943.db2.gz CPEBGALHPWBCJM-QGZVFWFLSA-N 1 2 376.551 3.484 10 0 GGAELO CN(C)C(=O)Sc1ccc(C[N@H+]2CCSC[C@@H]2c2cnn(C)c2)cc1 ZINC000191199134 565587945 /nfs/dbraw/zinc/58/79/45/565587945.db2.gz CPEBGALHPWBCJM-QGZVFWFLSA-N 1 2 376.551 3.484 10 0 GGAELO C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)C[C@@H]1[NH+]1CCOCC1 ZINC000173820516 565589631 /nfs/dbraw/zinc/58/96/31/565589631.db2.gz TZVCNOGDYLKDMM-DRRHNWJESA-N 1 2 383.319 3.276 10 0 GGAELO O=C([C@@H]1COc2ccc(Br)cc21)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000408006763 565590554 /nfs/dbraw/zinc/59/05/54/565590554.db2.gz APDQWFPBJMMFTE-CQSZACIVSA-N 1 2 376.254 3.054 10 0 GGAELO Cn1c2c([nH+]c1[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1)CCCC2 ZINC000408025199 565590752 /nfs/dbraw/zinc/59/07/52/565590752.db2.gz ACDZHVMEBAIHFL-KRWDZBQOSA-N 1 2 379.913 3.478 10 0 GGAELO COc1ccc(Br)cc1CC(=O)NCCCNc1cccc[nH+]1 ZINC000173829096 565590831 /nfs/dbraw/zinc/59/08/31/565590831.db2.gz MMSTYEJGEJRGKM-UHFFFAOYSA-N 1 2 378.270 3.014 10 0 GGAELO Cn1c2c([nH+]c1[C@H]1CCCN1S(=O)(=O)c1cccc(Cl)c1)CCCC2 ZINC000408027894 565592057 /nfs/dbraw/zinc/59/20/57/565592057.db2.gz PMWHJHLZLGJXKG-QGZVFWFLSA-N 1 2 379.913 3.478 10 0 GGAELO Cn1c2c([nH+]c1[C@H]1CCCN1S(=O)(=O)c1ccccc1Cl)CCCC2 ZINC000408028724 565592280 /nfs/dbraw/zinc/59/22/80/565592280.db2.gz USTPPWCQNATUAL-MRXNPFEDSA-N 1 2 379.913 3.478 10 0 GGAELO CC(C)n1cc(Br)cc1C(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000173885226 565596543 /nfs/dbraw/zinc/59/65/43/565596543.db2.gz SOUNIQFCABGKNV-UHFFFAOYSA-N 1 2 388.269 3.342 10 0 GGAELO O=C(Nc1ccc(C(F)(F)F)cc1Cl)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173902615 565596766 /nfs/dbraw/zinc/59/67/66/565596766.db2.gz BLYFXQCKHQQSCH-LBPRGKRZSA-N 1 2 377.794 3.297 10 0 GGAELO Cc1cc(Br)cc(C)c1S(=O)(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000408215364 565599052 /nfs/dbraw/zinc/59/90/52/565599052.db2.gz PEMBJPJSCHYVSJ-ZDUSSCGKSA-N 1 2 384.299 3.315 10 0 GGAELO COc1cc(Br)ccc1[C@H](C)NC(=O)N(C)CCCn1cc[nH+]c1 ZINC000191434806 565603770 /nfs/dbraw/zinc/60/37/70/565603770.db2.gz NAXYCTIAOGLAEO-ZDUSSCGKSA-N 1 2 395.301 3.447 10 0 GGAELO C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000408350073 565605241 /nfs/dbraw/zinc/60/52/41/565605241.db2.gz XFAFRHMJFCRHIJ-SCLBCKFNSA-N 1 2 397.313 3.046 10 0 GGAELO C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000408350073 565605247 /nfs/dbraw/zinc/60/52/47/565605247.db2.gz XFAFRHMJFCRHIJ-SCLBCKFNSA-N 1 2 397.313 3.046 10 0 GGAELO Cn1c2c([nH+]c1[C@H]1CCCN1C(=O)c1ccncc1Br)CCCC2 ZINC000279279573 565605372 /nfs/dbraw/zinc/60/53/72/565605372.db2.gz XKVCPSQJFQOHIH-MRXNPFEDSA-N 1 2 389.297 3.434 10 0 GGAELO C[C@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000408350072 565605416 /nfs/dbraw/zinc/60/54/16/565605416.db2.gz XFAFRHMJFCRHIJ-FZKQIMNGSA-N 1 2 397.313 3.046 10 0 GGAELO C[C@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000408350072 565605421 /nfs/dbraw/zinc/60/54/21/565605421.db2.gz XFAFRHMJFCRHIJ-FZKQIMNGSA-N 1 2 397.313 3.046 10 0 GGAELO O=C(C[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O)Nc1ccccc1Br ZINC000322516572 565610349 /nfs/dbraw/zinc/61/03/49/565610349.db2.gz RIYBCMMOJGEARQ-IAOVAPTHSA-N 1 2 381.314 3.403 10 0 GGAELO O=C(C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O)Nc1ccccc1Br ZINC000322516572 565610353 /nfs/dbraw/zinc/61/03/53/565610353.db2.gz RIYBCMMOJGEARQ-IAOVAPTHSA-N 1 2 381.314 3.403 10 0 GGAELO CC(C)(C)[C@H](O)C[NH2+]Cc1cc(Br)c(O)c(Br)c1 ZINC000324289686 565617403 /nfs/dbraw/zinc/61/74/03/565617403.db2.gz RQODMYAJGJSHAB-LLVKDONJSA-N 1 2 381.108 3.414 10 0 GGAELO C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=O)NCCOCC(F)F)CC1 ZINC000191627071 565618209 /nfs/dbraw/zinc/61/82/09/565618209.db2.gz ZNEIKNILBQFISA-CYBMUJFWSA-N 1 2 375.847 3.010 10 0 GGAELO C[C@@H]([NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1)c1nc(C(F)(F)F)cs1 ZINC000279544756 565618740 /nfs/dbraw/zinc/61/87/40/565618740.db2.gz QLPPWSLCOFSVQN-RKDXNWHRSA-N 1 2 379.429 3.221 10 0 GGAELO C[N@H+](Cc1cncnc1)Cc1cccc(Br)c1OCC(C)(C)O ZINC000191687272 565621436 /nfs/dbraw/zinc/62/14/36/565621436.db2.gz LNISAWSKDAEKBG-UHFFFAOYSA-N 1 2 380.286 3.021 10 0 GGAELO C[N@@H+](Cc1cncnc1)Cc1cccc(Br)c1OCC(C)(C)O ZINC000191687272 565621440 /nfs/dbraw/zinc/62/14/40/565621440.db2.gz LNISAWSKDAEKBG-UHFFFAOYSA-N 1 2 380.286 3.021 10 0 GGAELO CC(C)Cn1cc[nH+]c1CNC(=O)Nc1ccc(I)cc1 ZINC000174289302 565627506 /nfs/dbraw/zinc/62/75/06/565627506.db2.gz FTXCZWVNNQVIDZ-UHFFFAOYSA-N 1 2 398.248 3.465 10 0 GGAELO C[C@@H]([NH2+][C@H](C)c1nnc2n1CCCC2)C(=O)Nc1ccc(Br)cc1 ZINC000174297896 565628444 /nfs/dbraw/zinc/62/84/44/565628444.db2.gz RZXMQUDIPPIZKT-VXGBXAGGSA-N 1 2 392.301 3.055 10 0 GGAELO C[C@@H]([NH2+][C@@H](C)c1nnc2n1CCCC2)C(=O)Nc1ccccc1Br ZINC000174299800 565628609 /nfs/dbraw/zinc/62/86/09/565628609.db2.gz CNJFRMRIXBLYGQ-NWDGAFQWSA-N 1 2 392.301 3.055 10 0 GGAELO CCc1ccc(C[NH+]2CCN(C(=O)NCc3nc(C)c(C)s3)CC2)s1 ZINC000174315899 565629931 /nfs/dbraw/zinc/62/99/31/565629931.db2.gz IWCRKTWFOVMXDJ-UHFFFAOYSA-N 1 2 378.567 3.411 10 0 GGAELO Cc1nc(N2CCC(c3ccc(Br)cc3)CC2)nc(N(C)C)[nH+]1 ZINC000409644449 565629948 /nfs/dbraw/zinc/62/99/48/565629948.db2.gz NEEULNQNPNTOGR-UHFFFAOYSA-N 1 2 376.302 3.393 10 0 GGAELO Cc1nc(N(C)C)nc(N2CCC(c3ccc(Br)cc3)CC2)[nH+]1 ZINC000409644449 565629954 /nfs/dbraw/zinc/62/99/54/565629954.db2.gz NEEULNQNPNTOGR-UHFFFAOYSA-N 1 2 376.302 3.393 10 0 GGAELO CC(C)c1nc(N(C)C)nc(N[C@H]2CCOc3c(Br)cccc32)[nH+]1 ZINC000409641667 565630337 /nfs/dbraw/zinc/63/03/37/565630337.db2.gz NXKGSLKHPUNEAX-ZDUSSCGKSA-N 1 2 392.301 3.181 10 0 GGAELO CC(C)c1nc(N[C@H]2CCOc3c(Br)cccc32)nc(N(C)C)[nH+]1 ZINC000409641667 565630342 /nfs/dbraw/zinc/63/03/42/565630342.db2.gz NXKGSLKHPUNEAX-ZDUSSCGKSA-N 1 2 392.301 3.181 10 0 GGAELO OC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c(F)ccc(I)c1F ZINC000279752605 565632004 /nfs/dbraw/zinc/63/20/04/565632004.db2.gz YFCDXTMNNMICNU-ULKQDVFKSA-N 1 2 379.188 3.057 10 0 GGAELO OC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c(F)ccc(I)c1F ZINC000279752605 565632006 /nfs/dbraw/zinc/63/20/06/565632006.db2.gz YFCDXTMNNMICNU-ULKQDVFKSA-N 1 2 379.188 3.057 10 0 GGAELO O=S(=O)(NC[C@@H]1CCn2cc[nH+]c2C1)c1ccc(C(F)(F)F)cc1Cl ZINC000328634597 565636038 /nfs/dbraw/zinc/63/60/38/565636038.db2.gz UGADSYONPAVQEX-SNVBAGLBSA-N 1 2 393.818 3.096 10 0 GGAELO O=C(NCCNc1cccc[nH+]1)N[C@H]1CCOc2c(Br)cccc21 ZINC000409714711 565636727 /nfs/dbraw/zinc/63/67/27/565636727.db2.gz LZYUZMCOXPAVGM-AWEZNQCLSA-N 1 2 391.269 3.079 10 0 GGAELO O=C(c1ccc(C2SCCS2)cc1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000174473602 565637836 /nfs/dbraw/zinc/63/78/36/565637836.db2.gz AFIMVRQRRANXOM-QGZVFWFLSA-N 1 2 378.563 3.102 10 0 GGAELO C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000174483864 565639092 /nfs/dbraw/zinc/63/90/92/565639092.db2.gz DJBDZARQCQMEHL-CZUORRHYSA-N 1 2 387.307 3.084 10 0 GGAELO COc1cc(NC(=O)C[N@H+](C)Cc2ccc(Cl)nc2)c(OC)cc1Cl ZINC000174581232 565645734 /nfs/dbraw/zinc/64/57/34/565645734.db2.gz IOEQZIHYIQERLJ-UHFFFAOYSA-N 1 2 384.263 3.476 10 0 GGAELO COc1cc(NC(=O)C[N@@H+](C)Cc2ccc(Cl)nc2)c(OC)cc1Cl ZINC000174581232 565645737 /nfs/dbraw/zinc/64/57/37/565645737.db2.gz IOEQZIHYIQERLJ-UHFFFAOYSA-N 1 2 384.263 3.476 10 0 GGAELO O=C(NC1CCN(c2cccc[nH+]2)CC1)c1cccc(Br)c1F ZINC000192072851 565655693 /nfs/dbraw/zinc/65/56/93/565655693.db2.gz UHPJBVWVJVSYEJ-UHFFFAOYSA-N 1 2 378.245 3.382 10 0 GGAELO O=C(NCc1cccnc1-n1cc[nH+]c1)c1cc(Br)c(F)cc1F ZINC000192111666 565659736 /nfs/dbraw/zinc/65/97/36/565659736.db2.gz IGYKXLWBRONRBI-UHFFFAOYSA-N 1 2 393.191 3.238 10 0 GGAELO Cc1cc(C)cc(CS(=O)(=O)N(C)Cc2[nH+]ccn2CC(F)(F)F)c1 ZINC000410135294 565666316 /nfs/dbraw/zinc/66/63/16/565666316.db2.gz FNIWYURRHINXDA-UHFFFAOYSA-N 1 2 375.416 3.024 10 0 GGAELO CCSCC[C@H](C)NC(=O)NC[C@H](c1ccc(C)s1)[NH+]1CCOCC1 ZINC000174964289 565669484 /nfs/dbraw/zinc/66/94/84/565669484.db2.gz XZBQCMIMTDUMSB-GOEBONIOSA-N 1 2 385.599 3.261 10 0 GGAELO CCSCC[C@H](C)NC(=O)N(C)C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000174963795 565669771 /nfs/dbraw/zinc/66/97/71/565669771.db2.gz JNJBBGVBVCJAEQ-JKSUJKDBSA-N 1 2 385.599 3.295 10 0 GGAELO CCSCC[C@H](C)NC(=O)NC[C@@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1 ZINC000174963961 565670066 /nfs/dbraw/zinc/67/00/66/565670066.db2.gz BYNMBCIDADMLSS-XHSDSOJGSA-N 1 2 385.599 3.341 10 0 GGAELO CCSCC[C@H](C)NC(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@H](C)C1 ZINC000174963961 565670070 /nfs/dbraw/zinc/67/00/70/565670070.db2.gz BYNMBCIDADMLSS-XHSDSOJGSA-N 1 2 385.599 3.341 10 0 GGAELO CCSCC[C@H](C)NC(=O)NC[C@@H](c1ccc(C)s1)[NH+]1CCOCC1 ZINC000174964253 565670186 /nfs/dbraw/zinc/67/01/86/565670186.db2.gz XZBQCMIMTDUMSB-HOCLYGCPSA-N 1 2 385.599 3.261 10 0 GGAELO 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395.219 3.084 10 0 GGAELO COc1cc(Br)ccc1[C@@H](C)Nc1cc(NC[C@H](C)O)[nH+]cn1 ZINC000413257294 565842349 /nfs/dbraw/zinc/84/23/49/565842349.db2.gz NRDBPECMNSCRLE-WDEREUQCSA-N 1 2 381.274 3.214 10 0 GGAELO COc1cc(Br)ccc1[C@@H](C)Nc1cc(NC[C@H](C)O)nc[nH+]1 ZINC000413257294 565842354 /nfs/dbraw/zinc/84/23/54/565842354.db2.gz NRDBPECMNSCRLE-WDEREUQCSA-N 1 2 381.274 3.214 10 0 GGAELO COCCOCCOCCN(C)c1[nH+]ccc2cc(Br)ccc21 ZINC000413255124 565842470 /nfs/dbraw/zinc/84/24/70/565842470.db2.gz GDOXHDAVOBEUGH-UHFFFAOYSA-N 1 2 383.286 3.113 10 0 GGAELO CC(=O)N1C[C@@H]2CCC[C@@H](Nc3[nH+]ccc4cc(Br)ccc43)[C@H]2C1 ZINC000413297635 565844808 /nfs/dbraw/zinc/84/48/08/565844808.db2.gz JLKZQSMGFAIINS-JCGIZDLHSA-N 1 2 388.309 3.478 10 0 GGAELO O=C(NCc1ccnc(-n2cc[nH+]c2)c1)[C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000194894969 565845358 /nfs/dbraw/zinc/84/53/58/565845358.db2.gz QCEURMZLBORKTJ-SJORKVTESA-N 1 2 397.276 3.450 10 0 GGAELO O=C(NCc1ccnc(-n2cc[nH+]c2)c1)[C@H]1C[C@H]1c1cccc(Br)c1 ZINC000194894954 565845884 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GGAELO Cc1ccc(OCCC(=O)NCc2ccc[nH+]c2N(C)C)c(Br)c1 ZINC000195024186 565854266 /nfs/dbraw/zinc/85/42/66/565854266.db2.gz RCISKHRAXRSNDQ-UHFFFAOYSA-N 1 2 392.297 3.304 10 0 GGAELO CC(C)S(=O)(=O)CCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000177502049 565855828 /nfs/dbraw/zinc/85/58/28/565855828.db2.gz CWRBHWDPYOAPFT-UHFFFAOYSA-N 1 2 378.460 3.041 10 0 GGAELO CNc1cc(N2CCC[C@@H]2CNC(=O)[C@H](C)c2ccc(Cl)s2)nc[nH+]1 ZINC000177576279 565860657 /nfs/dbraw/zinc/86/06/57/565860657.db2.gz XKXBBOUPAMJVAU-VXGBXAGGSA-N 1 2 379.917 3.122 10 0 GGAELO CNc1cc(N2CCC[C@@H]2CNC(=O)[C@H](C)c2ccc(Cl)s2)[nH+]cn1 ZINC000177576279 565860660 /nfs/dbraw/zinc/86/06/60/565860660.db2.gz XKXBBOUPAMJVAU-VXGBXAGGSA-N 1 2 379.917 3.122 10 0 GGAELO C[N@H+](CC(=O)N(Cc1ccco1)CC(F)(F)F)Cc1ccc(Cl)nc1 ZINC000177633904 565864542 /nfs/dbraw/zinc/86/45/42/565864542.db2.gz OVHOPSKXHVIVSD-UHFFFAOYSA-N 1 2 375.778 3.351 10 0 GGAELO C[N@@H+](CC(=O)N(Cc1ccco1)CC(F)(F)F)Cc1ccc(Cl)nc1 ZINC000177633904 565864545 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Cc1csc([C@@H]2C[N@@H+](C[C@H](O)COCc3ccccc3Cl)CCO2)n1 ZINC000195404506 565880333 /nfs/dbraw/zinc/88/03/33/565880333.db2.gz CHKNRJJPQAEFQX-RDJZCZTQSA-N 1 2 382.913 3.056 10 0 GGAELO Cc1csc([C@H]2C[N@H+](C[C@H](O)COCc3ccccc3Cl)CCO2)n1 ZINC000195404512 565880674 /nfs/dbraw/zinc/88/06/74/565880674.db2.gz CHKNRJJPQAEFQX-DOTOQJQBSA-N 1 2 382.913 3.056 10 0 GGAELO Cc1csc([C@H]2C[N@@H+](C[C@H](O)COCc3ccccc3Cl)CCO2)n1 ZINC000195404512 565880679 /nfs/dbraw/zinc/88/06/79/565880679.db2.gz CHKNRJJPQAEFQX-DOTOQJQBSA-N 1 2 382.913 3.056 10 0 GGAELO Cc1ncc(/C=C/C(=O)N(C)C[C@@H](c2cccs2)[NH+]2CCOCC2)s1 ZINC000177968191 565884920 /nfs/dbraw/zinc/88/49/20/565884920.db2.gz VRQQYIOATBNMLX-JFDDCEBESA-N 1 2 377.535 3.058 10 0 GGAELO C[C@H](C(=O)Nc1ccccc1Br)[NH+]1CCC(c2ccnn2C)CC1 ZINC000195501982 565888353 /nfs/dbraw/zinc/88/83/53/565888353.db2.gz HRSLXONNEWPKJZ-CYBMUJFWSA-N 1 2 391.313 3.389 10 0 GGAELO C[C@H](NC(=O)C[NH+]1CCC(c2ccn[nH]2)CC1)c1ccc(Br)cc1 ZINC000195506186 565888614 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Brc1cccc(-c2cnc(C[N@H+]3CCO[C@@]4(CCCOC4)C3)o2)c1 ZINC000285429765 565907216 /nfs/dbraw/zinc/90/72/16/565907216.db2.gz WNMFFVDOUBALTJ-SFHVURJKSA-N 1 2 393.281 3.486 10 0 GGAELO O=S(=O)(c1cc(C(F)(F)F)ccc1Cl)N1CC[NH+](CCCF)CC1 ZINC000178264117 565908864 /nfs/dbraw/zinc/90/88/64/565908864.db2.gz DXMWNNNHUVHNQJ-UHFFFAOYSA-N 1 2 388.814 3.025 10 0 GGAELO O=C(Cc1cc(F)ccc1Br)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000178274994 565909923 /nfs/dbraw/zinc/90/99/23/565909923.db2.gz BKEIVWRPRSOFQK-UHFFFAOYSA-N 1 2 389.228 3.028 10 0 GGAELO C[C@H](CC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C)c1ccc(Br)cc1 ZINC000285631626 565917765 /nfs/dbraw/zinc/91/77/65/565917765.db2.gz CWXGZKSDVYLBPI-VKJFTORMSA-N 1 2 395.341 3.264 10 0 GGAELO CN1C(=O)N([C@@H]2CCc3[nH+]c[nH]c3C2)C(=O)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000348983290 565920374 /nfs/dbraw/zinc/92/03/74/565920374.db2.gz HSOVESJJSWOXFG-MEBBXXQBSA-N 1 2 379.247 3.209 10 0 GGAELO CN1C(=O)N([C@@H]2CCc3[nH]c[nH+]c3C2)C(=O)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000348983290 565920380 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C[C@@H](CNS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)Cn1cc[nH+]c1 ZINC000414469758 565939217 /nfs/dbraw/zinc/93/92/17/565939217.db2.gz MTJSIHXKHAPADD-VIFPVBQESA-N 1 2 382.700 3.458 10 0 GGAELO C[C@@H](CNS(=O)(=O)c1cc(Cl)cc(C(F)(F)F)c1)Cn1cc[nH+]c1 ZINC000414475981 565940644 /nfs/dbraw/zinc/94/06/44/565940644.db2.gz YYKDMPKULWVJHQ-JTQLQIEISA-N 1 2 381.807 3.170 10 0 GGAELO COc1cc(Br)ccc1C[NH2+]Cc1ccccc1S(C)(=O)=O ZINC000414500805 565943331 /nfs/dbraw/zinc/94/33/31/565943331.db2.gz CWGUMGWUMWLDLG-UHFFFAOYSA-N 1 2 384.295 3.151 10 0 GGAELO CC(C)[N@@H+](Cc1cn(-c2cccc(Cl)c2Cl)nn1)C[C@@H]1CCC(=O)N1 ZINC000414580518 565950863 /nfs/dbraw/zinc/95/08/63/565950863.db2.gz QNBZRDBRPLTFQN-LBPRGKRZSA-N 1 2 382.295 3.063 10 0 GGAELO CC(C)[N@H+](Cc1cn(-c2cccc(Cl)c2Cl)nn1)C[C@@H]1CCC(=O)N1 ZINC000414580518 565950869 /nfs/dbraw/zinc/95/08/69/565950869.db2.gz QNBZRDBRPLTFQN-LBPRGKRZSA-N 1 2 382.295 3.063 10 0 GGAELO Cn1c[nH+]cc1Cc1noc([C@@H]2CCOc3ccc(Br)cc32)n1 ZINC000351416250 565954086 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CC(C)([NH2+]Cc1csc(CS(C)(=O)=O)n1)c1nc2ccccc2s1 ZINC000625721005 566354579 /nfs/dbraw/zinc/35/45/79/566354579.db2.gz QSWKIZUTJRHHFA-UHFFFAOYSA-N 1 2 381.548 3.322 10 0 GGAELO Cc1cc[nH+]cc1N1CCN(CC(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000536163964 566355043 /nfs/dbraw/zinc/35/50/43/566355043.db2.gz XZWKSUZTJWNWLG-UHFFFAOYSA-N 1 2 379.291 3.458 10 0 GGAELO O=C1C[N@H+](Cc2cccc(NCc3ccc(Br)c(F)c3)c2)CCN1 ZINC000462828694 566356450 /nfs/dbraw/zinc/35/64/50/566356450.db2.gz YUMOHFKQISFXDM-UHFFFAOYSA-N 1 2 392.272 3.132 10 0 GGAELO O=C1C[N@@H+](Cc2cccc(NCc3ccc(Br)c(F)c3)c2)CCN1 ZINC000462828694 566356452 /nfs/dbraw/zinc/35/64/52/566356452.db2.gz YUMOHFKQISFXDM-UHFFFAOYSA-N 1 2 392.272 3.132 10 0 GGAELO O=C(C[N@H+](Cc1cc(F)cc(Br)c1)C[C@@H]1CCCO1)N1CCCC1 ZINC000483062948 566357316 /nfs/dbraw/zinc/35/73/16/566357316.db2.gz LCFQYZYYPBVGNQ-KRWDZBQOSA-N 1 2 399.304 3.192 10 0 GGAELO O=C(C[N@@H+](Cc1cc(F)cc(Br)c1)C[C@@H]1CCCO1)N1CCCC1 ZINC000483062948 566357324 /nfs/dbraw/zinc/35/73/24/566357324.db2.gz 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ZINC000625793590 566359224 /nfs/dbraw/zinc/35/92/24/566359224.db2.gz XWELLQWNRFSRBA-CQSZACIVSA-N 1 2 376.316 3.029 10 0 GGAELO COc1cc(Br)ccc1[C@H]1CCC[N@H+]1CCCS(C)(=O)=O ZINC000625793590 566359227 /nfs/dbraw/zinc/35/92/27/566359227.db2.gz XWELLQWNRFSRBA-CQSZACIVSA-N 1 2 376.316 3.029 10 0 GGAELO C[N@H+](Cc1nc2ccc(Br)cc2[nH]1)[C@@H](CC(N)=O)c1ccccc1 ZINC000483112397 566359518 /nfs/dbraw/zinc/35/95/18/566359518.db2.gz SDDYNHSOJPHHTB-INIZCTEOSA-N 1 2 387.281 3.374 10 0 GGAELO C[N@@H+](Cc1nc2ccc(Br)cc2[nH]1)[C@@H](CC(N)=O)c1ccccc1 ZINC000483112397 566359529 /nfs/dbraw/zinc/35/95/29/566359529.db2.gz SDDYNHSOJPHHTB-INIZCTEOSA-N 1 2 387.281 3.374 10 0 GGAELO COc1cc(Br)c(C[NH2+]Cc2c3c(nn2C)CCCC3)cc1O ZINC000462855736 566360140 /nfs/dbraw/zinc/36/01/40/566360140.db2.gz QRMOYTOERAXDTQ-UHFFFAOYSA-N 1 2 380.286 3.065 10 0 GGAELO CC[C@@H]1C[N@H+](Cc2nc3ccc(Br)cc3n2C)C[C@@]2(CCOC2)O1 ZINC000483151757 566360826 /nfs/dbraw/zinc/36/08/26/566360826.db2.gz JFEPDIIGAMNHRM-RDTXWAMCSA-N 1 2 394.313 3.106 10 0 GGAELO CC[C@@H]1C[N@@H+](Cc2nc3ccc(Br)cc3n2C)C[C@@]2(CCOC2)O1 ZINC000483151757 566360832 /nfs/dbraw/zinc/36/08/32/566360832.db2.gz JFEPDIIGAMNHRM-RDTXWAMCSA-N 1 2 394.313 3.106 10 0 GGAELO CC1(C)[C@@H](O)CC[N@@H+]1Cc1cc(Br)cc(Br)c1N ZINC000462860883 566361282 /nfs/dbraw/zinc/36/12/82/566361282.db2.gz HROJYOKAILYGAD-NSHDSACASA-N 1 2 378.108 3.139 10 0 GGAELO CC1(C)[C@@H](O)CC[N@H+]1Cc1cc(Br)cc(Br)c1N ZINC000462860883 566361288 /nfs/dbraw/zinc/36/12/88/566361288.db2.gz HROJYOKAILYGAD-NSHDSACASA-N 1 2 378.108 3.139 10 0 GGAELO COc1cccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)n1 ZINC000483175532 566362641 /nfs/dbraw/zinc/36/26/41/566362641.db2.gz UQTIECPLTQADLZ-UHFFFAOYSA-N 1 2 376.298 3.171 10 0 GGAELO Cc1ccc(C[N@H+](CCO)CC(=O)Nc2ccc(Br)c(C)c2)o1 ZINC000483168261 566362772 /nfs/dbraw/zinc/36/27/72/566362772.db2.gz LFHSJIOHCRNALE-UHFFFAOYSA-N 1 2 381.270 3.092 10 0 GGAELO Cc1ccc(C[N@@H+](CCO)CC(=O)Nc2ccc(Br)c(C)c2)o1 ZINC000483168261 566362779 /nfs/dbraw/zinc/36/27/79/566362779.db2.gz LFHSJIOHCRNALE-UHFFFAOYSA-N 1 2 381.270 3.092 10 0 GGAELO Cc1ccc(C[N@@H+](CCO)Cc2nc3ccc(Br)cc3n2C)o1 ZINC000483173777 566362896 /nfs/dbraw/zinc/36/28/96/566362896.db2.gz IFANEKYSYOPZAZ-UHFFFAOYSA-N 1 2 378.270 3.232 10 0 GGAELO Cc1ccc(C[N@H+](CCO)Cc2nc3ccc(Br)cc3n2C)o1 ZINC000483173777 566362904 /nfs/dbraw/zinc/36/29/04/566362904.db2.gz IFANEKYSYOPZAZ-UHFFFAOYSA-N 1 2 378.270 3.232 10 0 GGAELO CC1(C)C[N@H+](CC[S@@](=O)c2cc(Cl)ccc2Cl)C[C@]2(CCOC2)O1 ZINC000483193672 566364204 /nfs/dbraw/zinc/36/42/04/566364204.db2.gz HWMJNPOOKQVQAT-BXKMTCNYSA-N 1 2 392.348 3.371 10 0 GGAELO CC1(C)C[N@@H+](CC[S@@](=O)c2cc(Cl)ccc2Cl)C[C@]2(CCOC2)O1 ZINC000483193672 566364211 /nfs/dbraw/zinc/36/42/11/566364211.db2.gz HWMJNPOOKQVQAT-BXKMTCNYSA-N 1 2 392.348 3.371 10 0 GGAELO CC(C)(C)c1csc(CS(=O)(=O)Cc2[nH+]ccn2CC(F)(F)F)n1 ZINC000446709708 566364502 /nfs/dbraw/zinc/36/45/02/566364502.db2.gz AYUGVHMSECCOQR-UHFFFAOYSA-N 1 2 381.445 3.314 10 0 GGAELO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](Cc2nn(C)c(C)c2Cl)C1 ZINC000421318700 566364786 /nfs/dbraw/zinc/36/47/86/566364786.db2.gz HGYMUROIKNOLME-GFCCVEGCSA-N 1 2 380.842 3.005 10 0 GGAELO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](Cc2nn(C)c(C)c2Cl)C1 ZINC000421318700 566364787 /nfs/dbraw/zinc/36/47/87/566364787.db2.gz HGYMUROIKNOLME-GFCCVEGCSA-N 1 2 380.842 3.005 10 0 GGAELO Cc1c(Cl)c(CN[C@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)nn1C ZINC000421323461 566364918 /nfs/dbraw/zinc/36/49/18/566364918.db2.gz ARAFJFVUGNWIEB-SJLPKXTDSA-N 1 2 383.323 3.197 10 0 GGAELO Cc1c(Cl)c(CN[C@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)nn1C ZINC000421323461 566364921 /nfs/dbraw/zinc/36/49/21/566364921.db2.gz ARAFJFVUGNWIEB-SJLPKXTDSA-N 1 2 383.323 3.197 10 0 GGAELO Cc1ccc(C[N@H+](CCO)CC(=O)NCCc2cccc(Cl)c2Cl)o1 ZINC000483198570 566364891 /nfs/dbraw/zinc/36/48/91/566364891.db2.gz QXTOUAJJJGRSBX-UHFFFAOYSA-N 1 2 385.291 3.048 10 0 GGAELO Cc1ccc(C[N@@H+](CCO)CC(=O)NCCc2cccc(Cl)c2Cl)o1 ZINC000483198570 566364893 /nfs/dbraw/zinc/36/48/93/566364893.db2.gz QXTOUAJJJGRSBX-UHFFFAOYSA-N 1 2 385.291 3.048 10 0 GGAELO OC[C@@H]([NH2+]Cc1ncccn1)c1ccc(Br)cc1C(F)(F)F ZINC000483235875 566365355 /nfs/dbraw/zinc/36/53/55/566365355.db2.gz NWKMOWDZIZALBM-GFCCVEGCSA-N 1 2 376.176 3.081 10 0 GGAELO Cc1ccc(C[N@H+](CCO)CC[S@@](=O)c2cc(Cl)ccc2Cl)o1 ZINC000483219972 566365543 /nfs/dbraw/zinc/36/55/43/566365543.db2.gz VKYNIADDZQZPOL-HSZRJFAPSA-N 1 2 376.305 3.497 10 0 GGAELO Cc1ccc(C[N@@H+](CCO)CC[S@@](=O)c2cc(Cl)ccc2Cl)o1 ZINC000483219972 566365546 /nfs/dbraw/zinc/36/55/46/566365546.db2.gz VKYNIADDZQZPOL-HSZRJFAPSA-N 1 2 376.305 3.497 10 0 GGAELO CCCOc1c(Br)cc(C[N@@H+]2CCC[C@@H]2C(=O)NC)cc1OCC ZINC000510122815 566365994 /nfs/dbraw/zinc/36/59/94/566365994.db2.gz CFRLNZGHPIXNIP-OAHLLOKOSA-N 1 2 399.329 3.347 10 0 GGAELO CCCOc1c(Br)cc(C[N@H+]2CCC[C@@H]2C(=O)NC)cc1OCC ZINC000510122815 566366004 /nfs/dbraw/zinc/36/60/04/566366004.db2.gz CFRLNZGHPIXNIP-OAHLLOKOSA-N 1 2 399.329 3.347 10 0 GGAELO Cc1c(Cl)c(C[NH+]2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)nn1C ZINC000421329246 566366182 /nfs/dbraw/zinc/36/61/82/566366182.db2.gz NVSLZLBUDFECKM-UHFFFAOYSA-N 1 2 382.295 3.281 10 0 GGAELO Cc1cn2c([nH+]1)C[C@@H](C(=O)NC[C@@H](C)Oc1cccc(Br)c1)CC2 ZINC000625890535 566366851 /nfs/dbraw/zinc/36/68/51/566366851.db2.gz LZIJCWMCDCEIKC-KGLIPLIRSA-N 1 2 392.297 3.100 10 0 GGAELO Cc1c(Cl)c(C[NH2+]C[C@@H](O)COc2cccc(Cl)c2Cl)nn1C ZINC000421327451 566366844 /nfs/dbraw/zinc/36/68/44/566366844.db2.gz QHHYFAHLNKTIQQ-SNVBAGLBSA-N 1 2 378.687 3.218 10 0 GGAELO Cc1cn2c([nH+]1)C[C@H](C(=O)NC[C@H](C)Oc1cccc(Br)c1)CC2 ZINC000625890536 566366989 /nfs/dbraw/zinc/36/69/89/566366989.db2.gz LZIJCWMCDCEIKC-UONOGXRCSA-N 1 2 392.297 3.100 10 0 GGAELO Cc1cn2c([nH+]1)C[C@@H](C(=O)NC[C@H](C)Oc1cccc(Br)c1)CC2 ZINC000625890534 566367243 /nfs/dbraw/zinc/36/72/43/566367243.db2.gz LZIJCWMCDCEIKC-KBPBESRZSA-N 1 2 392.297 3.100 10 0 GGAELO O=C(NCc1ccccc1Cn1cc[nH+]c1)C(=O)c1ccc(Br)cc1 ZINC000510152562 566367770 /nfs/dbraw/zinc/36/77/70/566367770.db2.gz WQFQLCZTZZKXQU-UHFFFAOYSA-N 1 2 398.260 3.193 10 0 GGAELO 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COc1nc(C(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)co1 ZINC000626426471 566410311 /nfs/dbraw/zinc/41/03/11/566410311.db2.gz VDOYMHPCJVDSHC-UHFFFAOYSA-N 1 2 384.263 3.384 10 0 GGAELO O=C(c1nscc1Br)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000649975303 566410856 /nfs/dbraw/zinc/41/08/56/566410856.db2.gz WIOLEOQPTTYNRQ-UHFFFAOYSA-N 1 2 395.326 3.458 10 0 GGAELO Cc1nc([C@](C)([NH2+]Cc2cc3c(c(Br)c2)OCO3)C2CC2)no1 ZINC000577169879 566410886 /nfs/dbraw/zinc/41/08/86/566410886.db2.gz GTJCZJMNTILEKH-MRXNPFEDSA-N 1 2 380.242 3.284 10 0 GGAELO CCCCN(C)S(=O)(=O)N[C@H]1CC[N@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000536901225 566411038 /nfs/dbraw/zinc/41/10/38/566411038.db2.gz ODHPLLXOVFWEBN-DLBZAZTESA-N 1 2 391.940 3.181 10 0 GGAELO CCCCN(C)S(=O)(=O)N[C@H]1CC[N@@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000536901225 566411044 /nfs/dbraw/zinc/41/10/44/566411044.db2.gz ODHPLLXOVFWEBN-DLBZAZTESA-N 1 2 391.940 3.181 10 0 GGAELO CCO[C@H](C(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1)C(C)C ZINC000626445784 566411511 /nfs/dbraw/zinc/41/15/11/566411511.db2.gz ONRIDJWRIDULSS-HNNXBMFYSA-N 1 2 382.302 3.125 10 0 GGAELO O=C(COc1cc(Cl)cc(Cl)c1)NCc1[nH+]ccn1CC(F)(F)F ZINC000463480027 566414302 /nfs/dbraw/zinc/41/43/02/566414302.db2.gz UYAPEJDVQLPQJT-UHFFFAOYSA-N 1 2 382.169 3.447 10 0 GGAELO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1nc2cc(Br)ccc2o1 ZINC000510810802 566415550 /nfs/dbraw/zinc/41/55/50/566415550.db2.gz KQMRVRHIOWVVRI-SIVJFFJCSA-N 1 2 379.254 3.364 10 0 GGAELO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1nc2cc(Br)ccc2o1 ZINC000510810802 566415559 /nfs/dbraw/zinc/41/55/59/566415559.db2.gz KQMRVRHIOWVVRI-SIVJFFJCSA-N 1 2 379.254 3.364 10 0 GGAELO C[N@@H+]1CCOC[C@@H]1CNC(=O)Nc1ccc(Br)c(Cl)c1Cl ZINC000626499933 566416475 /nfs/dbraw/zinc/41/64/75/566416475.db2.gz XRPSRIVEMMGIMW-QMMMGPOBSA-N 1 2 397.100 3.208 10 0 GGAELO C[N@H+]1CCOC[C@@H]1CNC(=O)Nc1ccc(Br)c(Cl)c1Cl ZINC000626499933 566416480 /nfs/dbraw/zinc/41/64/80/566416480.db2.gz XRPSRIVEMMGIMW-QMMMGPOBSA-N 1 2 397.100 3.208 10 0 GGAELO O=C(CC(F)(F)F)NC[C@H]1CCC[N@H+](Cc2ccc(Br)cn2)C1 ZINC000510875045 566417393 /nfs/dbraw/zinc/41/73/93/566417393.db2.gz UHXXHPPMBDTCRF-LLVKDONJSA-N 1 2 394.235 3.125 10 0 GGAELO O=C(CC(F)(F)F)NC[C@H]1CCC[N@@H+](Cc2ccc(Br)cn2)C1 ZINC000510875045 566417398 /nfs/dbraw/zinc/41/73/98/566417398.db2.gz UHXXHPPMBDTCRF-LLVKDONJSA-N 1 2 394.235 3.125 10 0 GGAELO C[C@@]1(C(=O)N2CC[NH+](CCc3ccc(Cl)c(Cl)c3)CC2)CCCOC1 ZINC000510878655 566417534 /nfs/dbraw/zinc/41/75/34/566417534.db2.gz KGLYBLXHFPLXBM-LJQANCHMSA-N 1 2 385.335 3.497 10 0 GGAELO CCSc1ccc(CC(=O)N[C@H]2CCn3cc[nH+]c3C2)c(Br)c1 ZINC000626521768 566418505 /nfs/dbraw/zinc/41/85/05/566418505.db2.gz JTLGBSKDZNWNGA-ZDUSSCGKSA-N 1 2 394.338 3.431 10 0 GGAELO C[C@H](CNS(=O)(=O)c1c(F)cccc1Cl)[N@@H+]1CCc2ccccc2C1 ZINC000463678308 566425861 /nfs/dbraw/zinc/42/58/61/566425861.db2.gz JSKKXLVFHJHANQ-CYBMUJFWSA-N 1 2 382.888 3.204 10 0 GGAELO C[C@H](CNS(=O)(=O)c1c(F)cccc1Cl)[N@H+]1CCc2ccccc2C1 ZINC000463678308 566425866 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387.307 3.184 10 0 GGAELO O=C(C[N@@H+]1CCOC[C@@H]1[C@@H]1CCCC[C@@H]1O)Nc1ccc(Cl)c(Cl)c1 ZINC000671533294 566427480 /nfs/dbraw/zinc/42/74/80/566427480.db2.gz UCEVWBQKYQGVBN-XKQJLSEDSA-N 1 2 387.307 3.184 10 0 GGAELO O=S(=O)(c1c(F)cccc1Cl)N1CC[NH+](CCc2ccccc2)CC1 ZINC000463694671 566427591 /nfs/dbraw/zinc/42/75/91/566427591.db2.gz BJAMAFKJFLFILU-UHFFFAOYSA-N 1 2 382.888 3.028 10 0 GGAELO C[C@H](CNS(=O)(=O)c1c(F)cccc1Cl)[N@@H+]1CCc2sccc2C1 ZINC000463691229 566427895 /nfs/dbraw/zinc/42/78/95/566427895.db2.gz QGLSYRJZDFFIJZ-LLVKDONJSA-N 1 2 388.917 3.266 10 0 GGAELO C[C@H](CNS(=O)(=O)c1c(F)cccc1Cl)[N@H+]1CCc2sccc2C1 ZINC000463691229 566427899 /nfs/dbraw/zinc/42/78/99/566427899.db2.gz QGLSYRJZDFFIJZ-LLVKDONJSA-N 1 2 388.917 3.266 10 0 GGAELO Cc1nc2[nH]ccc2c(NCc2nc(-c3cccc(Br)c3)no2)[nH+]1 ZINC000447811294 566433472 /nfs/dbraw/zinc/43/34/72/566433472.db2.gz DJQCUOREIODWCM-UHFFFAOYSA-N 1 2 385.225 3.113 10 0 GGAELO Cc1cn2c([nH+]1)C[C@@H](C(=O)N(C)Cc1ccc(Br)c(F)c1)CC2 ZINC000626659730 566436719 /nfs/dbraw/zinc/43/67/19/566436719.db2.gz NMEIEUYWOYBINX-ZDUSSCGKSA-N 1 2 380.261 3.314 10 0 GGAELO C[C@H](OC[C@H](O)C[N@@H+]1C[C@H](C(F)(F)F)OC[C@@H]1C)c1ccc(Cl)cc1 ZINC000671708981 566443220 /nfs/dbraw/zinc/44/32/20/566443220.db2.gz LOHJHXDHRXETBU-YXAMBPQSSA-N 1 2 381.822 3.430 10 0 GGAELO C[C@H](OC[C@H](O)C[N@H+]1C[C@H](C(F)(F)F)OC[C@@H]1C)c1ccc(Cl)cc1 ZINC000671708981 566443223 /nfs/dbraw/zinc/44/32/23/566443223.db2.gz LOHJHXDHRXETBU-YXAMBPQSSA-N 1 2 381.822 3.430 10 0 GGAELO O=C([C@H]1[C@@H]2c3cccc(Br)c3C[C@H]12)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000626707565 566444003 /nfs/dbraw/zinc/44/40/03/566444003.db2.gz REIARNDBOINEAP-ZFKCKOODSA-N 1 2 399.288 3.410 10 0 GGAELO C[C@@H]1CO[C@H](C(F)(F)F)C[N@@H+]1C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000671713621 566444077 /nfs/dbraw/zinc/44/40/77/566444077.db2.gz ACLYQRLKGYQBJH-UDZFHETQSA-N 1 2 388.213 3.385 10 0 GGAELO C[C@@H]1CO[C@H](C(F)(F)F)C[N@H+]1C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000671713621 566444083 /nfs/dbraw/zinc/44/40/83/566444083.db2.gz 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C[C@H]1CO[C@H](C(F)(F)F)C[N@H+]1CCC(=O)Nc1ccc(Br)cc1 ZINC000671714239 566444284 /nfs/dbraw/zinc/44/42/84/566444284.db2.gz QJUBYFPFFPXYRV-GWCFXTLKSA-N 1 2 395.219 3.429 10 0 GGAELO C[C@@H]1CO[C@@H](C(F)(F)F)C[N@@H+]1C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000671714736 566444493 /nfs/dbraw/zinc/44/44/93/566444493.db2.gz DWHMUGLKCPWIQV-GLXFQSAKSA-N 1 2 388.213 3.385 10 0 GGAELO C[C@@H]1CO[C@@H](C(F)(F)F)C[N@H+]1C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000671714736 566444496 /nfs/dbraw/zinc/44/44/96/566444496.db2.gz DWHMUGLKCPWIQV-GLXFQSAKSA-N 1 2 388.213 3.385 10 0 GGAELO C[C@@H]1CO[C@H](C(F)(F)F)C[N@@H+]1C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000671714738 566444638 /nfs/dbraw/zinc/44/46/38/566444638.db2.gz DWHMUGLKCPWIQV-PUYPPJJSSA-N 1 2 388.213 3.385 10 0 GGAELO C[C@@H]1CO[C@H](C(F)(F)F)C[N@H+]1C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000671714738 566444641 /nfs/dbraw/zinc/44/46/41/566444641.db2.gz DWHMUGLKCPWIQV-PUYPPJJSSA-N 1 2 388.213 3.385 10 0 GGAELO C[C@@H]1CO[C@@H](C(F)(F)F)C[N@@H+]1CCC(=O)Nc1cccc(Br)c1 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CO[C@H](CC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)C(F)(F)F ZINC000651577699 566537540 /nfs/dbraw/zinc/53/75/40/566537540.db2.gz VFCUYXPJTOJXHV-NFAWXSAZSA-N 1 2 382.785 3.308 10 0 GGAELO CO[C@H](CC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)C(F)(F)F ZINC000651577699 566537546 /nfs/dbraw/zinc/53/75/46/566537546.db2.gz VFCUYXPJTOJXHV-NFAWXSAZSA-N 1 2 382.785 3.308 10 0 GGAELO Cc1noc(CN2CC[NH+]([C@H]3CCCc4ccc(Br)cc43)CC2)n1 ZINC000538782481 566537491 /nfs/dbraw/zinc/53/74/91/566537491.db2.gz OEJFYZHNGGKYBL-KRWDZBQOSA-N 1 2 391.313 3.336 10 0 GGAELO O=C(C[N@H+](Cc1csc(C(F)(F)F)c1)C[C@@H]1CCCO1)N1CCCC1 ZINC000628183555 566537758 /nfs/dbraw/zinc/53/77/58/566537758.db2.gz GJKNJQHXNJSZAX-AWEZNQCLSA-N 1 2 376.444 3.370 10 0 GGAELO O=C(C[N@@H+](Cc1csc(C(F)(F)F)c1)C[C@@H]1CCCO1)N1CCCC1 ZINC000628183555 566537764 /nfs/dbraw/zinc/53/77/64/566537764.db2.gz GJKNJQHXNJSZAX-AWEZNQCLSA-N 1 2 376.444 3.370 10 0 GGAELO COC(=O)[C@H](c1cc(Cl)cc(Cl)c1)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000512478406 566538253 /nfs/dbraw/zinc/53/82/53/566538253.db2.gz BYNCBINKMOVIOI-ZLIFDBKOSA-N 1 2 387.307 3.003 10 0 GGAELO C[C@@H](CCc1ccc(Br)cc1)NC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000538837790 566540483 /nfs/dbraw/zinc/54/04/83/566540483.db2.gz AXFLJOSCKJCBSW-HNNXBMFYSA-N 1 2 395.341 3.141 10 0 GGAELO CCC1(CC)C[N@H+](Cc2c(Cl)cccc2N2CCOCC2)CC[S@@]1=O ZINC000449247744 566541245 /nfs/dbraw/zinc/54/12/45/566541245.db2.gz HALNGSVPTYZUJF-VWLOTQADSA-N 1 2 384.973 3.300 10 0 GGAELO CCC1(CC)C[N@@H+](Cc2c(Cl)cccc2N2CCOCC2)CC[S@@]1=O ZINC000449247744 566541249 /nfs/dbraw/zinc/54/12/49/566541249.db2.gz HALNGSVPTYZUJF-VWLOTQADSA-N 1 2 384.973 3.300 10 0 GGAELO COc1c(Br)ccc(C)c1C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000424580626 566542508 /nfs/dbraw/zinc/54/25/08/566542508.db2.gz FSGVBYYURMENID-UHFFFAOYSA-N 1 2 378.270 3.157 10 0 GGAELO COC(=O)c1nc(N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)sc1C ZINC000485956515 566542545 /nfs/dbraw/zinc/54/25/45/566542545.db2.gz LFBCGQFKAPBBBA-DZGCQCFKSA-N 1 2 383.876 3.310 10 0 GGAELO COC(=O)c1nc(N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)sc1C ZINC000485956515 566542554 /nfs/dbraw/zinc/54/25/54/566542554.db2.gz LFBCGQFKAPBBBA-DZGCQCFKSA-N 1 2 383.876 3.310 10 0 GGAELO O=C(Nc1ccc2[nH+]ccn2c1)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000603883626 566544545 /nfs/dbraw/zinc/54/45/45/566544545.db2.gz HKKPUUKMCCVKDS-OAHLLOKOSA-N 1 2 399.248 3.088 10 0 GGAELO CCS(=O)(=O)C1CC[NH+](Cc2cnc(-c3c(F)cccc3F)s2)CC1 ZINC000449284137 566544675 /nfs/dbraw/zinc/54/46/75/566544675.db2.gz AKUIZVMNUBWTED-UHFFFAOYSA-N 1 2 386.489 3.487 10 0 GGAELO CS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2cccc(F)c2OCC(F)(F)F)C1 ZINC000628292960 566544820 /nfs/dbraw/zinc/54/48/20/566544820.db2.gz DKDQMESIMHECGA-GFCCVEGCSA-N 1 2 383.407 3.023 10 0 GGAELO CS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2cccc(F)c2OCC(F)(F)F)C1 ZINC000628292960 566544823 /nfs/dbraw/zinc/54/48/23/566544823.db2.gz DKDQMESIMHECGA-GFCCVEGCSA-N 1 2 383.407 3.023 10 0 GGAELO O=C(N1CC[C@H](Sc2cccc(Cl)c2)C1)C1([NH+]2CCOCC2)CCC1 ZINC000578685096 566545625 /nfs/dbraw/zinc/54/56/25/566545625.db2.gz NFJZXESUHKTBAL-KRWDZBQOSA-N 1 2 380.941 3.288 10 0 GGAELO CCOC(=O)C1(COC)CC[NH+](Cc2cccc(F)c2Br)CC1 ZINC000449304262 566546580 /nfs/dbraw/zinc/54/65/80/566546580.db2.gz ZDCOSUHJBKAJFF-UHFFFAOYSA-N 1 2 388.277 3.380 10 0 GGAELO CS(=O)(=O)[C@@H]1CCC[N@H+](Cc2cnc(-c3c(F)cccc3F)s2)CC1 ZINC000449304541 566546820 /nfs/dbraw/zinc/54/68/20/566546820.db2.gz BYQHOKSEULNHML-CYBMUJFWSA-N 1 2 386.489 3.487 10 0 GGAELO CS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2cnc(-c3c(F)cccc3F)s2)CC1 ZINC000449304541 566546827 /nfs/dbraw/zinc/54/68/27/566546827.db2.gz BYQHOKSEULNHML-CYBMUJFWSA-N 1 2 386.489 3.487 10 0 GGAELO O=C(Cc1cn2c([nH+]1)CCCC2)N1CCc2cc(Br)cc(F)c2C1 ZINC000651657478 566548101 /nfs/dbraw/zinc/54/81/01/566548101.db2.gz HDUNEBZKIWJVPT-UHFFFAOYSA-N 1 2 392.272 3.248 10 0 GGAELO O=C(Cn1cc[nH+]c1)N1CCCC[C@@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000578717599 566548766 /nfs/dbraw/zinc/54/87/66/566548766.db2.gz FINREPPMSOJXNP-OAHLLOKOSA-N 1 2 381.263 3.210 10 0 GGAELO CN(C)[C@@H](C(=O)NCC/C=C\c1ccc(Br)cc1)c1c[nH+]cn1C ZINC000628336406 566548934 /nfs/dbraw/zinc/54/89/34/566548934.db2.gz HGTNJTZXXJIDJK-XQDHMALISA-N 1 2 391.313 3.005 10 0 GGAELO Cc1cc(Br)c(C[N@H+](C)C[C@@H]2COCCO2)cc1Br ZINC000628338229 566549057 /nfs/dbraw/zinc/54/90/57/566549057.db2.gz FCHRIIUAXHCJBR-GFCCVEGCSA-N 1 2 393.119 3.367 10 0 GGAELO Cc1cc(Br)c(C[N@@H+](C)C[C@@H]2COCCO2)cc1Br ZINC000628338229 566549060 /nfs/dbraw/zinc/54/90/60/566549060.db2.gz FCHRIIUAXHCJBR-GFCCVEGCSA-N 1 2 393.119 3.367 10 0 GGAELO FC(F)n1ccnc1CN1CC[NH+](Cc2sccc2Br)CC1 ZINC000512671221 566549180 /nfs/dbraw/zinc/54/91/80/566549180.db2.gz ADHSQJPYNMSUBI-UHFFFAOYSA-N 1 2 391.285 3.420 10 0 GGAELO C[C@H](Cc1ccccc1Br)NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000538952339 566549348 /nfs/dbraw/zinc/54/93/48/566549348.db2.gz JBLGQTPNWQELIV-CYBMUJFWSA-N 1 2 385.265 3.391 10 0 GGAELO C[C@H](O)CNc1[nH+]c2ccccc2n1Cc1c(F)cccc1Br ZINC000538938754 566549623 /nfs/dbraw/zinc/54/96/23/566549623.db2.gz IRBHHJIASIOFBF-NSHDSACASA-N 1 2 378.245 3.201 10 0 GGAELO O=C(Nc1nncs1)C1CC[NH+](Cc2cccc(Br)c2F)CC1 ZINC000449325658 566549890 /nfs/dbraw/zinc/54/98/90/566549890.db2.gz ONCKSNPOOKAYKC-UHFFFAOYSA-N 1 2 399.289 3.290 10 0 GGAELO COc1c(Br)ccc(C)c1C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000424630981 566549794 /nfs/dbraw/zinc/54/97/94/566549794.db2.gz RDTVBRXINLGJLP-UHFFFAOYSA-N 1 2 378.270 3.440 10 0 GGAELO O=C(Cc1cn2c([nH+]1)CCCC2)NCCOCc1ccc(Cl)cc1Cl ZINC000651664356 566549881 /nfs/dbraw/zinc/54/98/81/566549881.db2.gz NOHQJBRYLNEUBB-UHFFFAOYSA-N 1 2 382.291 3.402 10 0 GGAELO Brc1ccc(-c2n[nH]cc2C[N@@H+]2CCc3nccnc3C2)s1 ZINC000628351345 566550360 /nfs/dbraw/zinc/55/03/60/566550360.db2.gz CIIJVFMNGOETCA-UHFFFAOYSA-N 1 2 376.283 3.249 10 0 GGAELO Brc1ccc(-c2n[nH]cc2C[N@H+]2CCc3nccnc3C2)s1 ZINC000628351345 566550366 /nfs/dbraw/zinc/55/03/66/566550366.db2.gz CIIJVFMNGOETCA-UHFFFAOYSA-N 1 2 376.283 3.249 10 0 GGAELO COc1cc(Br)c(C[NH2+]Cc2c(C(F)(F)F)cnn2C)cc1O ZINC000628382173 566552030 /nfs/dbraw/zinc/55/20/30/566552030.db2.gz JFXJKHAVMXTANW-UHFFFAOYSA-N 1 2 394.191 3.205 10 0 GGAELO CSc1ccc(F)cc1CNC(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000465945216 566552920 /nfs/dbraw/zinc/55/29/20/566552920.db2.gz XBWXPDKBPANSQL-UHFFFAOYSA-N 1 2 376.379 3.306 10 0 GGAELO Cc1cccc(Cl)c1CC(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000486050427 566552940 /nfs/dbraw/zinc/55/29/40/566552940.db2.gz CPUZWDDFTWDRME-QGZVFWFLSA-N 1 2 378.925 3.442 10 0 GGAELO CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+]C(CF)CF ZINC000449378674 566554859 /nfs/dbraw/zinc/55/48/59/566554859.db2.gz FIZNZVTVMSRUSN-UHFFFAOYSA-N 1 2 380.229 3.097 10 0 GGAELO Cc1sc(C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)cc1Br ZINC000424664889 566555347 /nfs/dbraw/zinc/55/53/47/566555347.db2.gz MXHHCHKULMBMAR-ZDUSSCGKSA-N 1 2 387.343 3.146 10 0 GGAELO CSc1cc(Br)ccc1C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000628455914 566555664 /nfs/dbraw/zinc/55/56/64/566555664.db2.gz ZLMRAHAFBOAVHI-KGLIPLIRSA-N 1 2 390.368 3.323 10 0 GGAELO CSc1cc(Br)ccc1C[N@H+]1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000628455914 566555667 /nfs/dbraw/zinc/55/56/67/566555667.db2.gz ZLMRAHAFBOAVHI-KGLIPLIRSA-N 1 2 390.368 3.323 10 0 GGAELO O[C@@H](C[NH+]1CCN(c2ccc(C(F)(F)F)cc2Cl)CC1)C(F)(F)F ZINC000512812273 566559246 /nfs/dbraw/zinc/55/92/46/566559246.db2.gz RPDVRFPSRMAIOB-LBPRGKRZSA-N 1 2 376.728 3.404 10 0 GGAELO CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1ncc(Br)cc1Br ZINC000449418081 566561087 /nfs/dbraw/zinc/56/10/87/566561087.db2.gz BFVWSWPFOLMKRT-TVQRCGJNSA-N 1 2 378.108 3.199 10 0 GGAELO CC[C@@H]1[C@H](CO)CC[N@H+]1Cc1ncc(Br)cc1Br ZINC000449418081 566561088 /nfs/dbraw/zinc/56/10/88/566561088.db2.gz BFVWSWPFOLMKRT-TVQRCGJNSA-N 1 2 378.108 3.199 10 0 GGAELO CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1c(Br)cncc1Br ZINC000449419264 566561166 /nfs/dbraw/zinc/56/11/66/566561166.db2.gz HBBDNSWPGIJUHB-TVQRCGJNSA-N 1 2 378.108 3.199 10 0 GGAELO CC[C@@H]1[C@H](CO)CC[N@H+]1Cc1c(Br)cncc1Br ZINC000449419264 566561173 /nfs/dbraw/zinc/56/11/73/566561173.db2.gz HBBDNSWPGIJUHB-TVQRCGJNSA-N 1 2 378.108 3.199 10 0 GGAELO O=C1COc2ccc(C[N@@H+]3CCc4cc(F)cc(Br)c4C3)cc2N1 ZINC000628488987 566561868 /nfs/dbraw/zinc/56/18/68/566561868.db2.gz MJJSLMBOVRZSMY-UHFFFAOYSA-N 1 2 391.240 3.477 10 0 GGAELO O=C1COc2ccc(C[N@H+]3CCc4cc(F)cc(Br)c4C3)cc2N1 ZINC000628488987 566561876 /nfs/dbraw/zinc/56/18/76/566561876.db2.gz MJJSLMBOVRZSMY-UHFFFAOYSA-N 1 2 391.240 3.477 10 0 GGAELO COC[C@@]1(C)C[N@H+](Cc2cn(-c3ccc(Br)cc3)nc2C)CCO1 ZINC000628497305 566561899 /nfs/dbraw/zinc/56/18/99/566561899.db2.gz LAIPWIYQVOVQPV-GOSISDBHSA-N 1 2 394.313 3.181 10 0 GGAELO COC[C@@]1(C)C[N@@H+](Cc2cn(-c3ccc(Br)cc3)nc2C)CCO1 ZINC000628497305 566561904 /nfs/dbraw/zinc/56/19/04/566561904.db2.gz LAIPWIYQVOVQPV-GOSISDBHSA-N 1 2 394.313 3.181 10 0 GGAELO COC(=O)[C@@H]1Cc2c(Br)cccc2C[N@@H+]1C[C@H]1CCO[C@H](C)C1 ZINC000449428580 566562439 /nfs/dbraw/zinc/56/24/39/566562439.db2.gz VIPFCGQIORZBFE-IGCXYCKISA-N 1 2 382.298 3.164 10 0 GGAELO COC(=O)[C@@H]1Cc2c(Br)cccc2C[N@H+]1C[C@H]1CCO[C@H](C)C1 ZINC000449428580 566562444 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CCCn1cc(C[N@@H+](C)[C@H](CO)c2cc(OC)ccc2Br)cn1 ZINC000449468625 566565418 /nfs/dbraw/zinc/56/54/18/566565418.db2.gz FFVSHUPGYQJZHC-QGZVFWFLSA-N 1 2 382.302 3.230 10 0 GGAELO O=C(c1cc(Cl)c(F)cc1Cl)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000559714020 566566659 /nfs/dbraw/zinc/56/66/59/566566659.db2.gz KNLVUZZGIUWMDX-LBPRGKRZSA-N 1 2 375.271 3.459 10 0 GGAELO COc1c(Br)ccc(C)c1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000424764017 566568355 /nfs/dbraw/zinc/56/83/55/566568355.db2.gz HOLZJMBQIHEYFO-CYBMUJFWSA-N 1 2 390.281 3.170 10 0 GGAELO COc1ccc([C@@H](C)[NH2+]Cc2nn(C)cc2Br)cc1NC(C)=O ZINC000449487269 566569972 /nfs/dbraw/zinc/56/99/72/566569972.db2.gz XMEQVIIBSPHDJY-SNVBAGLBSA-N 1 2 381.274 3.000 10 0 GGAELO Cc1cc(S(=O)(=O)N[C@H](Cc2ccccc2)c2[nH+]ccn2C)c(C)s1 ZINC000651875275 566571812 /nfs/dbraw/zinc/57/18/12/566571812.db2.gz YVNHIQXRJNOLKF-MRXNPFEDSA-N 1 2 375.519 3.361 10 0 GGAELO C[C@@H]([NH2+][C@@H](C)c1ccc(C(=O)N(C)C)cc1)c1ncc(Br)cn1 ZINC000559862354 566572361 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/nfs/dbraw/zinc/70/91/89/566709189.db2.gz KHHPKAZIVUKUTD-HOTGVXAUSA-N 1 2 392.348 3.204 10 0 GGAELO O=S1(=O)CC[C@H]([N@@H+](CCc2cc(Cl)ccc2Cl)C[C@@H]2CCCO2)C1 ZINC000488137515 566709193 /nfs/dbraw/zinc/70/91/93/566709193.db2.gz KHHPKAZIVUKUTD-HOTGVXAUSA-N 1 2 392.348 3.204 10 0 GGAELO CCc1ncc(CNC(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)o1 ZINC000580624161 566710290 /nfs/dbraw/zinc/71/02/90/566710290.db2.gz OPESAHRGTPLLIK-KRWDZBQOSA-N 1 2 392.297 3.453 10 0 GGAELO Cc1sc(C(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1Br ZINC000654051553 566710762 /nfs/dbraw/zinc/71/07/62/566710762.db2.gz IYUXLAKVGUKBRT-MXWKQRLJSA-N 1 2 375.332 3.047 10 0 GGAELO Cc1sc(C(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1Br ZINC000654051553 566710771 /nfs/dbraw/zinc/71/07/71/566710771.db2.gz IYUXLAKVGUKBRT-MXWKQRLJSA-N 1 2 375.332 3.047 10 0 GGAELO CCOC(=O)c1ccc(C[N@H+](CCO)Cc2cc(Br)cs2)nc1 ZINC000450850323 566711962 /nfs/dbraw/zinc/71/19/62/566711962.db2.gz XCEFAYDEYJWPPI-UHFFFAOYSA-N 1 2 399.310 3.077 10 0 GGAELO CCOC(=O)c1ccc(C[N@@H+](CCO)Cc2cc(Br)cs2)nc1 ZINC000450850323 566711969 /nfs/dbraw/zinc/71/19/69/566711969.db2.gz XCEFAYDEYJWPPI-UHFFFAOYSA-N 1 2 399.310 3.077 10 0 GGAELO COC(=O)c1sc2cccc(F)c2c1C[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000426453093 566713657 /nfs/dbraw/zinc/71/36/57/566713657.db2.gz CHGCLXFUOQQFFJ-HNNXBMFYSA-N 1 2 377.359 3.326 10 0 GGAELO COC(=O)c1sc2cccc(F)c2c1C[N@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000426453093 566713660 /nfs/dbraw/zinc/71/36/60/566713660.db2.gz CHGCLXFUOQQFFJ-HNNXBMFYSA-N 1 2 377.359 3.326 10 0 GGAELO COC(=O)[C@H](NCC[N@@H+]1CCc2sccc2C1)c1c(F)cccc1Cl ZINC000541307536 566713982 /nfs/dbraw/zinc/71/39/82/566713982.db2.gz MBSAPSOASLVHEK-QGZVFWFLSA-N 1 2 382.888 3.403 10 0 GGAELO COC(=O)[C@H](NCC[N@H+]1CCc2sccc2C1)c1c(F)cccc1Cl ZINC000541307536 566713991 /nfs/dbraw/zinc/71/39/91/566713991.db2.gz MBSAPSOASLVHEK-QGZVFWFLSA-N 1 2 382.888 3.403 10 0 GGAELO COC(=O)[C@@H](NCC[N@@H+]1CCc2sccc2C1)c1c(F)cccc1Cl ZINC000541307532 566714343 /nfs/dbraw/zinc/71/43/43/566714343.db2.gz MBSAPSOASLVHEK-KRWDZBQOSA-N 1 2 382.888 3.403 10 0 GGAELO COC(=O)[C@@H](NCC[N@H+]1CCc2sccc2C1)c1c(F)cccc1Cl ZINC000541307532 566714345 /nfs/dbraw/zinc/71/43/45/566714345.db2.gz MBSAPSOASLVHEK-KRWDZBQOSA-N 1 2 382.888 3.403 10 0 GGAELO COCC[N@H+](Cc1nc(-c2ccc(Br)cc2)c[nH]1)[C@@H]1CCOC1 ZINC000426524923 566716110 /nfs/dbraw/zinc/71/61/10/566716110.db2.gz UFIKGXSHYLKNQQ-OAHLLOKOSA-N 1 2 380.286 3.077 10 0 GGAELO COCC[N@@H+](Cc1nc(-c2ccc(Br)cc2)c[nH]1)[C@@H]1CCOC1 ZINC000426524923 566716114 /nfs/dbraw/zinc/71/61/14/566716114.db2.gz UFIKGXSHYLKNQQ-OAHLLOKOSA-N 1 2 380.286 3.077 10 0 GGAELO COc1cc(Br)ccc1[C@H](C)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000580716802 566716336 /nfs/dbraw/zinc/71/63/36/566716336.db2.gz OBQWNPVKLGLPFV-RYUDHWBXSA-N 1 2 378.270 3.094 10 0 GGAELO O=C1N=NC(C2CC[NH+](CC[S@@](=O)c3cc(Cl)ccc3Cl)CC2)O1 ZINC000450915015 566720591 /nfs/dbraw/zinc/72/05/91/566720591.db2.gz OREDFMCAEUCERG-XMMPIXPASA-N 1 2 390.292 3.069 10 0 GGAELO O=C(C[N@H+](Cc1csc(Br)c1)C[C@H]1CCCO1)N1CCCC1 ZINC000608508687 566721891 /nfs/dbraw/zinc/72/18/91/566721891.db2.gz AQDBENHRGDLDSS-CQSZACIVSA-N 1 2 387.343 3.114 10 0 GGAELO O=C(C[N@@H+](Cc1csc(Br)c1)C[C@H]1CCCO1)N1CCCC1 ZINC000608508687 566721898 /nfs/dbraw/zinc/72/18/98/566721898.db2.gz AQDBENHRGDLDSS-CQSZACIVSA-N 1 2 387.343 3.114 10 0 GGAELO COC(=O)c1csc(C[NH2+][C@@H]2CCOc3c(Br)cccc32)n1 ZINC000450927056 566722392 /nfs/dbraw/zinc/72/23/92/566722392.db2.gz OHOWPWQFSKASOH-LLVKDONJSA-N 1 2 383.267 3.306 10 0 GGAELO C[C@@H]1C[N@H+](C[C@H](O)COc2c(Cl)cccc2Cl)C[C@H](C(F)(F)F)O1 ZINC000608578423 566724167 /nfs/dbraw/zinc/72/41/67/566724167.db2.gz CTCDFJMBTGCELB-GBIKHYSHSA-N 1 2 388.213 3.385 10 0 GGAELO C[C@@H]1C[N@@H+](C[C@H](O)COc2c(Cl)cccc2Cl)C[C@H](C(F)(F)F)O1 ZINC000608578423 566724169 /nfs/dbraw/zinc/72/41/69/566724169.db2.gz CTCDFJMBTGCELB-GBIKHYSHSA-N 1 2 388.213 3.385 10 0 GGAELO C[C@@H]1C[N@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)C[C@@H](C(F)(F)F)O1 ZINC000608578422 566724221 /nfs/dbraw/zinc/72/42/21/566724221.db2.gz CTCDFJMBTGCELB-BREBYQMCSA-N 1 2 388.213 3.385 10 0 GGAELO C[C@@H]1C[N@@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)C[C@@H](C(F)(F)F)O1 ZINC000608578422 566724226 /nfs/dbraw/zinc/72/42/26/566724226.db2.gz CTCDFJMBTGCELB-BREBYQMCSA-N 1 2 388.213 3.385 10 0 GGAELO O=C(c1cc(-n2cc[nH+]c2)ccn1)N1CCc2c(Br)cccc2C1 ZINC000488490033 566730135 /nfs/dbraw/zinc/73/01/35/566730135.db2.gz BVXDBSLCPRCIND-UHFFFAOYSA-N 1 2 383.249 3.228 10 0 GGAELO C[C@H](c1nccc(N)n1)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000580871704 566730892 /nfs/dbraw/zinc/73/08/92/566730892.db2.gz ZQQSOXNAEJWTMB-CYBMUJFWSA-N 1 2 380.323 3.117 10 0 GGAELO O[C@@H]1Cc2ccccc2[C@H]1[NH2+]Cc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000677244785 566733975 /nfs/dbraw/zinc/73/39/75/566733975.db2.gz HFDUDLCAFBGULL-SJLPKXTDSA-N 1 2 375.259 3.322 10 0 GGAELO C[C@H](CC(=O)N(C)[C@H](C)C[NH+]1CCOCC1)c1ccc(Br)cc1 ZINC000468833664 566736222 /nfs/dbraw/zinc/73/62/22/566736222.db2.gz GHGJQNZRWYPXBR-HUUCEWRRSA-N 1 2 383.330 3.122 10 0 GGAELO CCC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(F)cc1I ZINC000426875987 566737615 /nfs/dbraw/zinc/73/76/15/566737615.db2.gz QBXUKNCQXYECKN-ZDUSSCGKSA-N 1 2 376.213 3.243 10 0 GGAELO CCC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(F)cc1I ZINC000426875987 566737620 /nfs/dbraw/zinc/73/76/20/566737620.db2.gz QBXUKNCQXYECKN-ZDUSSCGKSA-N 1 2 376.213 3.243 10 0 GGAELO Cc1ccn2cc(CNS(=O)(=O)c3ccc(F)cc3Br)[nH+]c2c1 ZINC000515904316 566737764 /nfs/dbraw/zinc/73/77/64/566737764.db2.gz DPJMVQIOKQCYLN-UHFFFAOYSA-N 1 2 398.257 3.023 10 0 GGAELO Cc1nnccc1NC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000541602882 566738278 /nfs/dbraw/zinc/73/82/78/566738278.db2.gz ILWZIKZBVUIZOO-INIZCTEOSA-N 1 2 375.270 3.323 10 0 GGAELO CC(C)(C)[C@@H]1CC[N@H+](CCS(=O)(=O)c2cc(Cl)ccc2Cl)C[C@H]1O ZINC000541616919 566738415 /nfs/dbraw/zinc/73/84/15/566738415.db2.gz ZMEMVDPVCYLXJE-UKRRQHHQSA-N 1 2 394.364 3.496 10 0 GGAELO CC(C)(C)[C@@H]1CC[N@@H+](CCS(=O)(=O)c2cc(Cl)ccc2Cl)C[C@H]1O ZINC000541616919 566738420 /nfs/dbraw/zinc/73/84/20/566738420.db2.gz ZMEMVDPVCYLXJE-UKRRQHHQSA-N 1 2 394.364 3.496 10 0 GGAELO Cc1ccn2cc(CNS(=O)(=O)c3ccc(Br)c(C)c3)[nH+]c2c1 ZINC000515923766 566739874 /nfs/dbraw/zinc/73/98/74/566739874.db2.gz CVXSQAUODXSLEA-UHFFFAOYSA-N 1 2 394.294 3.192 10 0 GGAELO COc1ccc(C[NH2+][C@](C)(CO)c2cccc(O)c2)c(Br)c1OC ZINC000451034935 566740337 /nfs/dbraw/zinc/74/03/37/566740337.db2.gz YXCNUMMLJJSOFJ-GOSISDBHSA-N 1 2 396.281 3.169 10 0 GGAELO Cc1ccc(-c2nnc(C[N@H+](C)CCn3cc(Br)cn3)o2)cc1 ZINC000561791660 566740650 /nfs/dbraw/zinc/74/06/50/566740650.db2.gz BLGGIBMHFMQWAH-UHFFFAOYSA-N 1 2 376.258 3.136 10 0 GGAELO Cc1ccc(-c2nnc(C[N@@H+](C)CCn3cc(Br)cn3)o2)cc1 ZINC000561791660 566740653 /nfs/dbraw/zinc/74/06/53/566740653.db2.gz BLGGIBMHFMQWAH-UHFFFAOYSA-N 1 2 376.258 3.136 10 0 GGAELO Cc1c(Cl)c(C[NH2+][C@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)c(F)c2)nn1C ZINC000581005496 566742315 /nfs/dbraw/zinc/74/23/15/566742315.db2.gz UUAOXNCZSOEFHH-SUMWQHHRSA-N 1 2 385.270 3.236 10 0 GGAELO COC(=O)[C@H]([NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl)C1CCCCC1 ZINC000541691855 566742381 /nfs/dbraw/zinc/74/23/81/566742381.db2.gz QSVJOGZXCOOFKN-CZUORRHYSA-N 1 2 390.307 3.445 10 0 GGAELO CCOC(=O)c1sc([C@H](C)NCc2[nH+]ccn2CC(F)(F)F)nc1C ZINC000541684098 566742786 /nfs/dbraw/zinc/74/27/86/566742786.db2.gz GTOYVFWXQOELLH-JTQLQIEISA-N 1 2 376.404 3.238 10 0 GGAELO COc1nc(C)cc(C)c1C[NH+]1CCN(c2ccc(Br)cn2)CC1 ZINC000561848982 566742997 /nfs/dbraw/zinc/74/29/97/566742997.db2.gz AAMWBEQQPAXXCS-UHFFFAOYSA-N 1 2 391.313 3.187 10 0 GGAELO COc1ccc(Br)cc1C[NH+]1CCC(Oc2cnccn2)CC1 ZINC000488720616 566743223 /nfs/dbraw/zinc/74/32/23/566743223.db2.gz KUFMBXKAMFHPHW-UHFFFAOYSA-N 1 2 378.270 3.291 10 0 GGAELO CCN(CC)c1ccc(CNC(=O)c2c(F)cncc2Br)c[nH+]1 ZINC000630755276 566749254 /nfs/dbraw/zinc/74/92/54/566749254.db2.gz KKQARULVXSUOLI-UHFFFAOYSA-N 1 2 381.249 3.154 10 0 GGAELO O=C(NCc1ccc(N2CCCCC2)[nH+]c1)c1c(F)cncc1Br ZINC000630752107 566749760 /nfs/dbraw/zinc/74/97/60/566749760.db2.gz CLCFGLKAOXTBJR-UHFFFAOYSA-N 1 2 393.260 3.299 10 0 GGAELO CO[C@@H](C(=O)N1CCC[C@H](n2cc[nH+]c2)C1)c1ccccc1Br ZINC000654706606 566749888 /nfs/dbraw/zinc/74/98/88/566749888.db2.gz HFSQCFXXQPDUMU-XJKSGUPXSA-N 1 2 378.270 3.197 10 0 GGAELO Cc1c(Br)ccc(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c1F ZINC000469060278 566757406 /nfs/dbraw/zinc/75/74/06/566757406.db2.gz QCWYRDJJJXTWOI-GFCCVEGCSA-N 1 2 378.245 3.300 10 0 GGAELO Cc1sccc1CC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000469059893 566757988 /nfs/dbraw/zinc/75/79/88/566757988.db2.gz UHCMCULZXWVRQN-HKUYNNGSSA-N 1 2 378.925 3.441 10 0 GGAELO Cc1sccc1CC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000469059893 566757995 /nfs/dbraw/zinc/75/79/95/566757995.db2.gz UHCMCULZXWVRQN-HKUYNNGSSA-N 1 2 378.925 3.441 10 0 GGAELO CCOc1c(Br)cc(C[N@H+](CC)Cc2cn(C)nn2)cc1OC ZINC000541922975 566759374 /nfs/dbraw/zinc/75/93/74/566759374.db2.gz WFWXTNMDJKJOCR-UHFFFAOYSA-N 1 2 383.290 3.007 10 0 GGAELO CCOc1c(Br)cc(C[N@@H+](CC)Cc2cn(C)nn2)cc1OC ZINC000541922975 566759380 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CNC(=O)Cc1nc(C[N@H+]2CC[C@H](c3cccc(Br)c3)C2)cs1 ZINC000451571468 566840858 /nfs/dbraw/zinc/84/08/58/566840858.db2.gz RIVXGWHHRGWWND-ZDUSSCGKSA-N 1 2 394.338 3.184 10 0 GGAELO CC[N@@H+]1CC[C@H](NC(=O)N[C@H](C)CSC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000542965345 566841903 /nfs/dbraw/zinc/84/19/03/566841903.db2.gz WGLGHNBHVQOTMB-FUEDEBDSSA-N 1 2 375.460 3.290 10 0 GGAELO CC[N@H+]1CC[C@H](NC(=O)N[C@H](C)CSC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000542965345 566841909 /nfs/dbraw/zinc/84/19/09/566841909.db2.gz WGLGHNBHVQOTMB-FUEDEBDSSA-N 1 2 375.460 3.290 10 0 GGAELO CC[C@@H](Cc1ccccc1Br)NC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000543012911 566845373 /nfs/dbraw/zinc/84/53/73/566845373.db2.gz TVJVKLUTGQJNRL-INIZCTEOSA-N 1 2 395.341 3.141 10 0 GGAELO COc1cc(S(=O)(=O)N2C[C@@H](C)[NH2+]Cc3ccc(F)cc32)ccc1Cl ZINC000517758849 566845943 /nfs/dbraw/zinc/84/59/43/566845943.db2.gz HBKIYVOSMQXTFY-LLVKDONJSA-N 1 2 384.860 3.175 10 0 GGAELO O=C(c1cc(-n2cc[nH+]c2)ccn1)N1CCc2sc(Br)cc2C1 ZINC000679312454 566847161 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384.851 3.189 10 0 GGAELO C[N@H+]1CC[C@@H](NS(=O)(=O)CCC(C)(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000632142449 566855108 /nfs/dbraw/zinc/85/51/08/566855108.db2.gz GDOYAKPNBSUIAC-KGLIPLIRSA-N 1 2 384.851 3.189 10 0 GGAELO COc1cccc(-c2nc(C[N@@H+]3CCSC[C@H]3CCO)cs2)c1OC ZINC000470205283 566856397 /nfs/dbraw/zinc/85/63/97/566856397.db2.gz LOLHEHNPPYTOLP-CQSZACIVSA-N 1 2 380.535 3.127 10 0 GGAELO COc1cccc(-c2nc(C[N@H+]3CCSC[C@H]3CCO)cs2)c1OC ZINC000470205283 566856405 /nfs/dbraw/zinc/85/64/05/566856405.db2.gz LOLHEHNPPYTOLP-CQSZACIVSA-N 1 2 380.535 3.127 10 0 GGAELO OCC[C@@H]1CSCC[N@@H+]1CCOc1ccc(Cl)cc1Br ZINC000470191383 566856492 /nfs/dbraw/zinc/85/64/92/566856492.db2.gz VXYKGPGUORHJKO-GFCCVEGCSA-N 1 2 380.735 3.281 10 0 GGAELO OCC[C@@H]1CSCC[N@H+]1CCOc1ccc(Cl)cc1Br ZINC000470191383 566856500 /nfs/dbraw/zinc/85/65/00/566856500.db2.gz VXYKGPGUORHJKO-GFCCVEGCSA-N 1 2 380.735 3.281 10 0 GGAELO O=S(=O)(C[C@@H]1CCCC1(F)F)N1CC[NH2+]C[C@H]1c1ccccc1Cl ZINC000563138173 566858463 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566897610 /nfs/dbraw/zinc/89/76/10/566897610.db2.gz ALBJTDABJAMOKM-CHWSQXEVSA-N 1 2 377.838 3.483 10 0 GGAELO C[C@H](C(=O)Nc1ccccc1Cl)[N@H+]1CCN(CC(F)(F)F)C[C@@H](C)C1 ZINC000451865796 566897614 /nfs/dbraw/zinc/89/76/14/566897614.db2.gz ALBJTDABJAMOKM-CHWSQXEVSA-N 1 2 377.838 3.483 10 0 GGAELO Cc1c(Cl)cccc1NC(=O)C[N@H+]1CCN(CC(F)(F)F)C[C@H](C)C1 ZINC000451876621 566898257 /nfs/dbraw/zinc/89/82/57/566898257.db2.gz YLGPDYXQCLEAHB-GFCCVEGCSA-N 1 2 377.838 3.403 10 0 GGAELO Cc1c(Cl)cccc1NC(=O)C[N@@H+]1CCN(CC(F)(F)F)C[C@H](C)C1 ZINC000451876621 566898263 /nfs/dbraw/zinc/89/82/63/566898263.db2.gz YLGPDYXQCLEAHB-GFCCVEGCSA-N 1 2 377.838 3.403 10 0 GGAELO C[C@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CCN(CC(F)(F)F)C[C@H](C)C1 ZINC000451872020 566898430 /nfs/dbraw/zinc/89/84/30/566898430.db2.gz LQXVVMAOMZGQHQ-QWHCGFSZSA-N 1 2 377.838 3.483 10 0 GGAELO C[C@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CCN(CC(F)(F)F)C[C@H](C)C1 ZINC000451872020 566898436 /nfs/dbraw/zinc/89/84/36/566898436.db2.gz LQXVVMAOMZGQHQ-QWHCGFSZSA-N 1 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ZINC000451874045 566899225 /nfs/dbraw/zinc/89/92/25/566899225.db2.gz PYKBIYNXWCJMPA-ZDUSSCGKSA-N 1 2 375.460 3.163 10 0 GGAELO CSc1cccc(NC(=O)C[N@@H+]2CCN(CC(F)(F)F)C[C@@H](C)C2)c1 ZINC000451878081 566899389 /nfs/dbraw/zinc/89/93/89/566899389.db2.gz LJGCINAVOBNZIN-ZDUSSCGKSA-N 1 2 375.460 3.163 10 0 GGAELO CSc1cccc(NC(=O)C[N@H+]2CCN(CC(F)(F)F)C[C@@H](C)C2)c1 ZINC000451878081 566899393 /nfs/dbraw/zinc/89/93/93/566899393.db2.gz LJGCINAVOBNZIN-ZDUSSCGKSA-N 1 2 375.460 3.163 10 0 GGAELO CN(C)c1c[nH+]ccc1NC(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1 ZINC000680322396 566899680 /nfs/dbraw/zinc/89/96/80/566899680.db2.gz ROQTZNDPFGASBD-UHFFFAOYSA-N 1 2 376.247 3.314 10 0 GGAELO CN(C)c1c[nH+]ccc1NC(=O)c1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC000680321894 566901019 /nfs/dbraw/zinc/90/10/19/566901019.db2.gz VVRTXMRRGDWRPM-UHFFFAOYSA-N 1 2 376.247 3.314 10 0 GGAELO Cn1c(C[N@@H+]2CC[C@@H]([C@H](O)C(F)(F)F)C2)nc2ccc(Br)cc21 ZINC000451885662 566900966 /nfs/dbraw/zinc/90/09/66/566900966.db2.gz HQTLGSPQTFNOIK-OTYXRUKQSA-N 1 2 392.219 3.081 10 0 GGAELO Cn1c(C[N@H+]2CC[C@@H]([C@H](O)C(F)(F)F)C2)nc2ccc(Br)cc21 ZINC000451885662 566900972 /nfs/dbraw/zinc/90/09/72/566900972.db2.gz HQTLGSPQTFNOIK-OTYXRUKQSA-N 1 2 392.219 3.081 10 0 GGAELO O=C1[C@H]([N@@H+]2CC[C@@H]([C@@H](O)C(F)(F)F)C2)CCCN1c1ccccc1Cl ZINC000451883389 566901373 /nfs/dbraw/zinc/90/13/73/566901373.db2.gz DCHQFWNSVBPJJS-KCPJHIHWSA-N 1 2 376.806 3.081 10 0 GGAELO O=C1[C@H]([N@H+]2CC[C@@H]([C@@H](O)C(F)(F)F)C2)CCCN1c1ccccc1Cl ZINC000451883389 566901376 /nfs/dbraw/zinc/90/13/76/566901376.db2.gz DCHQFWNSVBPJJS-KCPJHIHWSA-N 1 2 376.806 3.081 10 0 GGAELO O=C(C[N@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1)Nc1nc(-c2cccs2)cs1 ZINC000451888653 566903300 /nfs/dbraw/zinc/90/33/00/566903300.db2.gz LKCUOXNFYKZEGC-TVQRCGJNSA-N 1 2 391.440 3.055 10 0 GGAELO O=C(C[N@@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1)Nc1nc(-c2cccs2)cs1 ZINC000451888653 566903306 /nfs/dbraw/zinc/90/33/06/566903306.db2.gz LKCUOXNFYKZEGC-TVQRCGJNSA-N 1 2 391.440 3.055 10 0 GGAELO COc1cc(NC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)ncc1Br ZINC000680368564 566903882 /nfs/dbraw/zinc/90/38/82/566903882.db2.gz PZKCHZPPAWBAHG-LLVKDONJSA-N 1 2 380.246 3.335 10 0 GGAELO Cc1cc(Br)cn2cc(CCNC(=O)NCCCC3CC3)[nH+]c12 ZINC000543698306 566904440 /nfs/dbraw/zinc/90/44/40/566904440.db2.gz LMORKCBPZNAORX-UHFFFAOYSA-N 1 2 379.302 3.437 10 0 GGAELO CC[C@@H]([NH2+][C@H](C(N)=O)c1ccc(Br)cc1)c1c(C)nn(C)c1C ZINC000680399969 566905484 /nfs/dbraw/zinc/90/54/84/566905484.db2.gz JSEHJBVCURTIJH-ZBFHGGJFSA-N 1 2 379.302 3.067 10 0 GGAELO Cc1cc(Br)cc(C)c1S(=O)(=O)NCCCCn1cc[nH+]c1 ZINC000543728163 566905520 /nfs/dbraw/zinc/90/55/20/566905520.db2.gz DLDMAJCRSSIRRO-UHFFFAOYSA-N 1 2 386.315 3.021 10 0 GGAELO C[C@H](C(=O)Nc1ccccc1Br)[N@@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000451915983 566907906 /nfs/dbraw/zinc/90/79/06/566907906.db2.gz WBHYYZNKNVQLCR-BREBYQMCSA-N 1 2 395.219 3.021 10 0 GGAELO C[C@H](C(=O)Nc1ccccc1Br)[N@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000451915983 566907915 /nfs/dbraw/zinc/90/79/15/566907915.db2.gz WBHYYZNKNVQLCR-BREBYQMCSA-N 1 2 395.219 3.021 10 0 GGAELO Cc1cc(Br)cn2cc(CCNC(=O)C3(C(F)(F)F)CC3)[nH+]c12 ZINC000680403783 566907971 /nfs/dbraw/zinc/90/79/71/566907971.db2.gz RWAGHKUKDQVHHP-UHFFFAOYSA-N 1 2 390.203 3.406 10 0 GGAELO O=C(COc1c(Cl)cccc1Cl)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000518960474 566911729 /nfs/dbraw/zinc/91/17/29/566911729.db2.gz YTDZQNGQLXCHNB-AWEZNQCLSA-N 1 2 387.307 3.086 10 0 GGAELO COC(=O)c1ccc(Br)cc1C[N@@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000429242899 566916831 /nfs/dbraw/zinc/91/68/31/566916831.db2.gz YNKPHDLHSQCLOL-HNNXBMFYSA-N 1 2 382.298 3.484 10 0 GGAELO COC(=O)c1ccc(Br)cc1C[N@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000429242899 566916839 /nfs/dbraw/zinc/91/68/39/566916839.db2.gz YNKPHDLHSQCLOL-HNNXBMFYSA-N 1 2 382.298 3.484 10 0 GGAELO Cc1c(Br)csc1C(=O)NCc1nc(C[NH+]2CCCCC2)no1 ZINC000632875820 566920810 /nfs/dbraw/zinc/92/08/10/566920810.db2.gz LYLJFPOLDZUNIA-UHFFFAOYSA-N 1 2 399.314 3.118 10 0 GGAELO CC(=O)C(C)(C)CCC(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000680605873 566921058 /nfs/dbraw/zinc/92/10/58/566921058.db2.gz RAWVLVNUGSARAH-UHFFFAOYSA-N 1 2 380.286 3.417 10 0 GGAELO Cc1cc(Br)cn2cc(CNC(=O)N3CC[C@@H](C)[C@@H](F)C3)[nH+]c12 ZINC000680613900 566921706 /nfs/dbraw/zinc/92/17/06/566921706.db2.gz ITYXTYMBLQETRV-YGRLFVJLSA-N 1 2 383.265 3.295 10 0 GGAELO Cc1cc(I)ccc1NC(=O)C[N@H+]1CC[C@H](C)[C@H](F)C1 ZINC000611501488 566922100 /nfs/dbraw/zinc/92/21/00/566922100.db2.gz CWTVIRSWNKFOER-GXFFZTMASA-N 1 2 390.240 3.218 10 0 GGAELO Cc1cc(I)ccc1NC(=O)C[N@@H+]1CC[C@H](C)[C@H](F)C1 ZINC000611501488 566922108 /nfs/dbraw/zinc/92/21/08/566922108.db2.gz CWTVIRSWNKFOER-GXFFZTMASA-N 1 2 390.240 3.218 10 0 GGAELO Cc1cn2cc(NC(=O)Cc3cccc(I)c3)ccc2[nH+]1 ZINC000471038615 566923685 /nfs/dbraw/zinc/92/36/85/566923685.db2.gz QNCGHEGXLYNNLP-UHFFFAOYSA-N 1 2 391.212 3.429 10 0 GGAELO O=C(Nc1ccc(Br)c(C2CC2)n1)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000519325311 566932888 /nfs/dbraw/zinc/93/28/88/566932888.db2.gz AKYLBSGCPLGATP-JTQLQIEISA-N 1 2 376.258 3.124 10 0 GGAELO O=C(Nc1ccc(Br)c(C2CC2)n1)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000519325311 566932892 /nfs/dbraw/zinc/93/28/92/566932892.db2.gz AKYLBSGCPLGATP-JTQLQIEISA-N 1 2 376.258 3.124 10 0 GGAELO COC(=O)C(C)(C)[NH2+]CCCC(=O)Nc1c(C)cc(Br)cc1C ZINC000611661587 566933309 /nfs/dbraw/zinc/93/33/09/566933309.db2.gz KZBAYUAABUOYFI-UHFFFAOYSA-N 1 2 385.302 3.326 10 0 GGAELO C[C@@H]([NH2+]CC(=O)Nc1ccc(Br)cc1)c1nnc2n1CCCCC2 ZINC000680831290 566934733 /nfs/dbraw/zinc/93/47/33/566934733.db2.gz FHXGMJQGMPSRIC-GFCCVEGCSA-N 1 2 392.301 3.056 10 0 GGAELO C[N@H+](CCCNC(=O)C1CCC1)Cc1nc2ccc(Br)cc2[nH]1 ZINC000429548797 566937813 /nfs/dbraw/zinc/93/78/13/566937813.db2.gz QWLJHHAAGMRAII-UHFFFAOYSA-N 1 2 379.302 3.064 10 0 GGAELO C[N@@H+](CCCNC(=O)C1CCC1)Cc1nc2ccc(Br)cc2[nH]1 ZINC000429548797 566937817 /nfs/dbraw/zinc/93/78/17/566937817.db2.gz QWLJHHAAGMRAII-UHFFFAOYSA-N 1 2 379.302 3.064 10 0 GGAELO COC(=O)[C@@H](c1cc(Cl)cc(Cl)c1)[N@H+](C)CCCNC(=O)C1CCC1 ZINC000429556812 566937929 /nfs/dbraw/zinc/93/79/29/566937929.db2.gz PWGXDSKNHXGYAX-MRXNPFEDSA-N 1 2 387.307 3.446 10 0 GGAELO COC(=O)[C@@H](c1cc(Cl)cc(Cl)c1)[N@@H+](C)CCCNC(=O)C1CCC1 ZINC000429556812 566937937 /nfs/dbraw/zinc/93/79/37/566937937.db2.gz PWGXDSKNHXGYAX-MRXNPFEDSA-N 1 2 387.307 3.446 10 0 GGAELO CC(C)(CNC(=O)NCc1cc[nH+]c(N2CCSCC2)c1)C(F)(F)F ZINC000633212861 566943207 /nfs/dbraw/zinc/94/32/07/566943207.db2.gz QWAFEUOROUCKLY-UHFFFAOYSA-N 1 2 376.448 3.023 10 0 GGAELO Cc1c(S(=O)(=O)Nc2cc[nH+]c(C)c2Cl)cnn1-c1ccc(Cl)cc1 ZINC000680950543 566943340 /nfs/dbraw/zinc/94/33/40/566943340.db2.gz AQKBEOBLSRTOFQ-UHFFFAOYSA-N 1 2 397.287 3.414 10 0 GGAELO Cc1[nH+]ccc(NS(=O)(=O)c2ccc(OCC(F)(F)F)cc2)c1Cl ZINC000680951945 566944176 /nfs/dbraw/zinc/94/41/76/566944176.db2.gz DEPURSSQNZBWSM-UHFFFAOYSA-N 1 2 380.775 3.207 10 0 GGAELO CCn1cc[nH+]c1[C@H](C)NC(=O)N[C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12 ZINC000633286322 566948678 /nfs/dbraw/zinc/94/86/78/566948678.db2.gz DNBFVXSGBWXPAA-MZORAGNBSA-N 1 2 389.297 3.364 10 0 GGAELO Cc1cc(Br)cn2c(CNc3ccc4c(n3)OCCO4)c[nH+]c12 ZINC000656780629 566949567 /nfs/dbraw/zinc/94/95/67/566949567.db2.gz UDQKFKQQRNNXNU-UHFFFAOYSA-N 1 2 375.226 3.184 10 0 GGAELO Cc1cc(Br)ccc1S(=O)(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000681129688 566952745 /nfs/dbraw/zinc/95/27/45/566952745.db2.gz QACSLQVIQLDCQK-UHFFFAOYSA-N 1 2 393.266 3.139 10 0 GGAELO Cc1ccccc1C[NH+]1CCN(S(=O)(=O)C[C@H](C)CC(F)(F)F)CC1 ZINC000656864896 566959118 /nfs/dbraw/zinc/95/91/18/566959118.db2.gz PAZUAXXBRVAPBC-CQSZACIVSA-N 1 2 378.460 3.031 10 0 GGAELO Cc1cc(Br)cc2c(C(=O)N3CC[NH+]([C@H]4CCOC4)CC3)coc21 ZINC000681195254 566959201 /nfs/dbraw/zinc/95/92/01/566959201.db2.gz OXKSCUYVCWGTPB-AWEZNQCLSA-N 1 2 393.281 3.050 10 0 GGAELO C[C@H](CC(F)(F)F)CS(=O)(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000656864730 566959522 /nfs/dbraw/zinc/95/95/22/566959522.db2.gz NVQJNPOHCLSGGD-BXUZGUMPSA-N 1 2 386.867 3.451 10 0 GGAELO CCOc1ccc(Br)cc1CN(C(=O)Cn1cc[nH+]c1)C1CC1 ZINC000564266050 566960032 /nfs/dbraw/zinc/96/00/32/566960032.db2.gz SGPUZHRZEPJJFP-UHFFFAOYSA-N 1 2 378.270 3.236 10 0 GGAELO C[C@H](CNS(=O)(=O)C[C@@H](C)CC(F)(F)F)[N@@H+]1CCc2sccc2C1 ZINC000656872615 566961049 /nfs/dbraw/zinc/96/10/49/566961049.db2.gz UDCMSKQCKPKLPK-NWDGAFQWSA-N 1 2 384.489 3.003 10 0 GGAELO C[C@H](CNS(=O)(=O)C[C@@H](C)CC(F)(F)F)[N@H+]1CCc2sccc2C1 ZINC000656872615 566961055 /nfs/dbraw/zinc/96/10/55/566961055.db2.gz UDCMSKQCKPKLPK-NWDGAFQWSA-N 1 2 384.489 3.003 10 0 GGAELO CO[C@H](CS(=O)(=O)NCc1cn2cc(Cl)ccc2[nH+]1)C1CCCCC1 ZINC000656870891 566961295 /nfs/dbraw/zinc/96/12/95/566961295.db2.gz SSPBGATXISNQMW-MRXNPFEDSA-N 1 2 385.917 3.002 10 0 GGAELO C[C@H](CC(F)(F)F)CS(=O)(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000656885889 566965702 /nfs/dbraw/zinc/96/57/02/566965702.db2.gz WCTLVFVNHSKEMS-LLVKDONJSA-N 1 2 379.379 3.019 10 0 GGAELO O=C(c1ccc(Br)cc1F)N1CCc2[nH]c[nH+]c2C12CCOCC2 ZINC000633523913 566966248 /nfs/dbraw/zinc/96/62/48/566966248.db2.gz AMKKZVHMELGWNJ-UHFFFAOYSA-N 1 2 394.244 3.016 10 0 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1 2 393.325 3.020 10 0 GGAELO O=C(N1CC[C@@H](c2cccc(Br)c2)C1)C1([NH+]2CCOCC2)CCC1 ZINC000452849822 567025226 /nfs/dbraw/zinc/02/52/26/567025226.db2.gz PGFKLEBRHWSTLG-MRXNPFEDSA-N 1 2 393.325 3.020 10 0 GGAELO Cc1cc(-c2nnc(C[N@H+](C)CCn3cc(Br)cn3)o2)c(C)o1 ZINC000584255771 567025679 /nfs/dbraw/zinc/02/56/79/567025679.db2.gz WZJLAVBJXGZYDF-UHFFFAOYSA-N 1 2 380.246 3.037 10 0 GGAELO Cc1cc(-c2nnc(C[N@@H+](C)CCn3cc(Br)cn3)o2)c(C)o1 ZINC000584255771 567025687 /nfs/dbraw/zinc/02/56/87/567025687.db2.gz WZJLAVBJXGZYDF-UHFFFAOYSA-N 1 2 380.246 3.037 10 0 GGAELO CC[N@@H+]1CC[C@H](NC(=O)Cc2nnc(C)s2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000613250746 567026177 /nfs/dbraw/zinc/02/61/77/567026177.db2.gz SDBJGCLTQRYLFQ-WMLDXEAASA-N 1 2 382.892 3.133 10 0 GGAELO CC[N@H+]1CC[C@H](NC(=O)Cc2nnc(C)s2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000613250746 567026182 /nfs/dbraw/zinc/02/61/82/567026182.db2.gz SDBJGCLTQRYLFQ-WMLDXEAASA-N 1 2 382.892 3.133 10 0 GGAELO Cc1nc2scc(C3CC3)n2c1C[N@@H+]1CCCC[C@H]1CCS(C)(=O)=O ZINC000584277654 567027850 /nfs/dbraw/zinc/02/78/50/567027850.db2.gz VOGHCPXTPMOMPP-HNNXBMFYSA-N 1 2 381.567 3.371 10 0 GGAELO Cc1nc2scc(C3CC3)n2c1C[N@H+]1CCCC[C@H]1CCS(C)(=O)=O ZINC000584277654 567027857 /nfs/dbraw/zinc/02/78/57/567027857.db2.gz VOGHCPXTPMOMPP-HNNXBMFYSA-N 1 2 381.567 3.371 10 0 GGAELO Cc1nc([C@H]2CCCC[N@@H+]2C[C@@H](O)COc2ccc(Br)cc2)no1 ZINC000613382324 567034307 /nfs/dbraw/zinc/03/43/07/567034307.db2.gz BQVLDVDBMJUFLK-GDBMZVCRSA-N 1 2 396.285 3.107 10 0 GGAELO Cc1nc([C@H]2CCCC[N@H+]2C[C@@H](O)COc2ccc(Br)cc2)no1 ZINC000613382324 567034316 /nfs/dbraw/zinc/03/43/16/567034316.db2.gz BQVLDVDBMJUFLK-GDBMZVCRSA-N 1 2 396.285 3.107 10 0 GGAELO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N[C@H](CO)c3ccsc3)n2)C1 ZINC000545325317 567037909 /nfs/dbraw/zinc/03/79/09/567037909.db2.gz WWJAMJBZWBQQPM-SWLSCSKDSA-N 1 2 380.539 3.292 10 0 GGAELO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N[C@H](CO)c3ccsc3)n2)C1 ZINC000545325317 567037914 /nfs/dbraw/zinc/03/79/14/567037914.db2.gz WWJAMJBZWBQQPM-SWLSCSKDSA-N 1 2 380.539 3.292 10 0 GGAELO Cn1ncc(Br)c1C[N@@H+]1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000494991101 567038555 /nfs/dbraw/zinc/03/85/55/567038555.db2.gz CNUIPWBLSLVAGR-CQSZACIVSA-N 1 2 378.270 3.291 10 0 GGAELO Cn1ncc(Br)c1C[N@H+]1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000494991101 567038566 /nfs/dbraw/zinc/03/85/66/567038566.db2.gz CNUIPWBLSLVAGR-CQSZACIVSA-N 1 2 378.270 3.291 10 0 GGAELO Cc1cc(Br)cn2cc(CCNC(=O)C[C@@H](C)[C@H]3CCCO3)[nH+]c12 ZINC000613479682 567039860 /nfs/dbraw/zinc/03/98/60/567039860.db2.gz HECPJJOAHWSMLR-MLGOLLRUSA-N 1 2 394.313 3.269 10 0 GGAELO Cc1cn2cc(C(=O)NC[C@@H]3C[C@H](F)C[N@@H+]3Cc3cccs3)sc2n1 ZINC000472594650 567040058 /nfs/dbraw/zinc/04/00/58/567040058.db2.gz BPRFGQIIJVEGAT-STQMWFEESA-N 1 2 378.498 3.108 10 0 GGAELO Cc1cn2cc(C(=O)NC[C@@H]3C[C@H](F)C[N@H+]3Cc3cccs3)sc2n1 ZINC000472594650 567040062 /nfs/dbraw/zinc/04/00/62/567040062.db2.gz BPRFGQIIJVEGAT-STQMWFEESA-N 1 2 378.498 3.108 10 0 GGAELO Cc1c2cc(Br)cc(C)c2oc1C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000495022460 567040316 /nfs/dbraw/zinc/04/03/16/567040316.db2.gz YPBWFTNRSOYFGH-GFCCVEGCSA-N 1 2 395.297 3.263 10 0 GGAELO CO[C@H](C(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1)C1CCCC1 ZINC000613478659 567040597 /nfs/dbraw/zinc/04/05/97/567040597.db2.gz CZZPNIIBNUOAEZ-INIZCTEOSA-N 1 2 394.313 3.269 10 0 GGAELO Clc1sccc1Cn1nnc([C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000657248232 567041771 /nfs/dbraw/zinc/04/17/71/567041771.db2.gz FXXJZKPRBYALLP-OAHLLOKOSA-N 1 2 375.885 3.010 10 0 GGAELO Clc1sccc1Cn1nnc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000657248232 567041779 /nfs/dbraw/zinc/04/17/79/567041779.db2.gz FXXJZKPRBYALLP-OAHLLOKOSA-N 1 2 375.885 3.010 10 0 GGAELO CCC[N@@H+](Cc1c(Br)cnn1C)C[C@H]1COc2ccccc2O1 ZINC000495054088 567042415 /nfs/dbraw/zinc/04/24/15/567042415.db2.gz RAWOQFBAGPEXNQ-ZDUSSCGKSA-N 1 2 380.286 3.235 10 0 GGAELO CCC[N@H+](Cc1c(Br)cnn1C)C[C@H]1COc2ccccc2O1 ZINC000495054088 567042423 /nfs/dbraw/zinc/04/24/23/567042423.db2.gz RAWOQFBAGPEXNQ-ZDUSSCGKSA-N 1 2 380.286 3.235 10 0 GGAELO CC(C)[C@H](NCC(F)(F)F)C(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000613545527 567043951 /nfs/dbraw/zinc/04/39/51/567043951.db2.gz QDCQOJCKFRVNRR-HIFRSBDPSA-N 1 2 377.476 3.130 10 0 GGAELO CC(C)[C@H](NCC(F)(F)F)C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000613545528 567044293 /nfs/dbraw/zinc/04/42/93/567044293.db2.gz QDCQOJCKFRVNRR-ZFWWWQNUSA-N 1 2 377.476 3.130 10 0 GGAELO CCCNC(=O)c1cccc(C[NH2+]Cc2c(F)cncc2Br)c1 ZINC000657313197 567045789 /nfs/dbraw/zinc/04/57/89/567045789.db2.gz PQJIGFZVYMYXAI-UHFFFAOYSA-N 1 2 380.261 3.413 10 0 GGAELO O=C([C@@H]1CCc2[nH+]c[nH]c2C1)N1CCN(c2c(Cl)cccc2Cl)CC1 ZINC000613571375 567046050 /nfs/dbraw/zinc/04/60/50/567046050.db2.gz RVNKZZOSYLNCHM-GFCCVEGCSA-N 1 2 379.291 3.170 10 0 GGAELO O=C([C@@H]1CCc2[nH]c[nH+]c2C1)N1CCN(c2c(Cl)cccc2Cl)CC1 ZINC000613571375 567046052 /nfs/dbraw/zinc/04/60/52/567046052.db2.gz RVNKZZOSYLNCHM-GFCCVEGCSA-N 1 2 379.291 3.170 10 0 GGAELO O=C([C@H]1CCc2[nH+]c[nH]c2C1)N1CCN(c2c(Cl)cccc2Cl)CC1 ZINC000613571377 567046181 /nfs/dbraw/zinc/04/61/81/567046181.db2.gz RVNKZZOSYLNCHM-LBPRGKRZSA-N 1 2 379.291 3.170 10 0 GGAELO O=C([C@H]1CCc2[nH]c[nH+]c2C1)N1CCN(c2c(Cl)cccc2Cl)CC1 ZINC000613571377 567046186 /nfs/dbraw/zinc/04/61/86/567046186.db2.gz RVNKZZOSYLNCHM-LBPRGKRZSA-N 1 2 379.291 3.170 10 0 GGAELO CCC1(CC)C[N@H+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC[S@]1=O ZINC000613584804 567048732 /nfs/dbraw/zinc/04/87/32/567048732.db2.gz MMPQMUJFHCPURD-RKNYENMMSA-N 1 2 394.364 3.356 10 0 GGAELO CCC1(CC)C[N@@H+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC[S@]1=O ZINC000613584804 567048739 /nfs/dbraw/zinc/04/87/39/567048739.db2.gz MMPQMUJFHCPURD-RKNYENMMSA-N 1 2 394.364 3.356 10 0 GGAELO Cc1cc(Br)cn2cc(CNC(=O)C[C@H](C)n3cccc3)[nH+]c12 ZINC000545406806 567049123 /nfs/dbraw/zinc/04/91/23/567049123.db2.gz KEKVIOYRNLXLDU-ZDUSSCGKSA-N 1 2 375.270 3.474 10 0 GGAELO CC1(C)C[N@H+](CCNC(=O)c2cc(Br)cc3ccccc32)CCO1 ZINC000521238012 567050736 /nfs/dbraw/zinc/05/07/36/567050736.db2.gz LSVQLVMRQYEPLG-UHFFFAOYSA-N 1 2 391.309 3.443 10 0 GGAELO CC1(C)C[N@@H+](CCNC(=O)c2cc(Br)cc3ccccc32)CCO1 ZINC000521238012 567050739 /nfs/dbraw/zinc/05/07/39/567050739.db2.gz LSVQLVMRQYEPLG-UHFFFAOYSA-N 1 2 391.309 3.443 10 0 GGAELO C[C@@H]([NH2+][C@H](C)c1ncc(Br)cn1)C(=O)Nc1ccc(F)c(F)c1 ZINC000431081100 567051405 /nfs/dbraw/zinc/05/14/05/567051405.db2.gz OJNZIXSFKITAMP-RKDXNWHRSA-N 1 2 385.212 3.195 10 0 GGAELO C[C@@H]([NH2+][C@@H](C)c1ncc(Br)cn1)C(=O)NCCC1=CCCCC1 ZINC000431079218 567051687 /nfs/dbraw/zinc/05/16/87/567051687.db2.gz YAVCUXOPOOHFNZ-QWHCGFSZSA-N 1 2 381.318 3.285 10 0 GGAELO C[C@@H]([NH2+][C@@H](C)c1ncc(Br)cn1)C(=O)Nc1cc(F)ccc1F ZINC000431078255 567052381 /nfs/dbraw/zinc/05/23/81/567052381.db2.gz FKIHGPVZTALESL-DTWKUNHWSA-N 1 2 385.212 3.195 10 0 GGAELO C[C@H]([NH2+][C@@H]1CCN(c2ccccc2Cl)C1=O)c1ncc(Br)cn1 ZINC000431086762 567052504 /nfs/dbraw/zinc/05/25/04/567052504.db2.gz SCZSJYBKBYSHAD-GXFFZTMASA-N 1 2 395.688 3.349 10 0 GGAELO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cc(F)ccc1F)c1ncc(Br)cn1 ZINC000431078254 567052597 /nfs/dbraw/zinc/05/25/97/567052597.db2.gz FKIHGPVZTALESL-BDAKNGLRSA-N 1 2 385.212 3.195 10 0 GGAELO C[C@@H]([NH2+]Cc1nnc2ccccn21)c1ccccc1I ZINC000545457081 567052981 /nfs/dbraw/zinc/05/29/81/567052981.db2.gz CIVPBBNKBRGIMY-LLVKDONJSA-N 1 2 378.217 3.185 10 0 GGAELO O=C(NCc1cc2cccnc2cc1Br)[C@@H]1CCc2[nH+]ccn2C1 ZINC000682514932 567052959 /nfs/dbraw/zinc/05/29/59/567052959.db2.gz ILRWNBGYZRMJEN-CYBMUJFWSA-N 1 2 385.265 3.073 10 0 GGAELO O=S(=O)(Cc1ccc(F)c(Cl)c1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000431094387 567053285 /nfs/dbraw/zinc/05/32/85/567053285.db2.gz AVWIEUXJHAWNCN-UHFFFAOYSA-N 1 2 382.888 3.127 10 0 GGAELO OCC1CCN(c2ccc(NCc3c(F)cncc3Br)[nH+]c2)CC1 ZINC000657402799 567053677 /nfs/dbraw/zinc/05/36/77/567053677.db2.gz ZBWMQOMFOGWTCN-UHFFFAOYSA-N 1 2 395.276 3.199 10 0 GGAELO CCN(C(=O)[C@H](C)[NH2+][C@@H](C)c1ncc(Br)cn1)c1ccccc1 ZINC000431098823 567053779 /nfs/dbraw/zinc/05/37/79/567053779.db2.gz DMRRCRHHZWGNAI-STQMWFEESA-N 1 2 377.286 3.331 10 0 GGAELO C[N@@H+]1CCO[C@@H]2CN(C(=O)c3csc(-c4ccc(Cl)c(Cl)c4)n3)C[C@H]21 ZINC000472876746 567054127 /nfs/dbraw/zinc/05/41/27/567054127.db2.gz JGOUGNLRKNZAPE-HUUCEWRRSA-N 1 2 398.315 3.272 10 0 GGAELO C[N@H+]1CCO[C@@H]2CN(C(=O)c3csc(-c4ccc(Cl)c(Cl)c4)n3)C[C@H]21 ZINC000472876746 567054128 /nfs/dbraw/zinc/05/41/28/567054128.db2.gz JGOUGNLRKNZAPE-HUUCEWRRSA-N 1 2 398.315 3.272 10 0 GGAELO C[C@H]([NH2+][C@@H](C)c1ncc(Br)cn1)C(=O)N(C)Cc1cccc(F)c1 ZINC000431102429 567055031 /nfs/dbraw/zinc/05/50/31/567055031.db2.gz LSPYOADIGPDYKC-RYUDHWBXSA-N 1 2 395.276 3.076 10 0 GGAELO C[C@H]([NH2+][C@@H]1CCCN(c2cccc(F)c2)C1=O)c1ncc(Br)cn1 ZINC000431108654 567055126 /nfs/dbraw/zinc/05/51/26/567055126.db2.gz VAANITDYVOVAND-XHDPSFHLSA-N 1 2 393.260 3.224 10 0 GGAELO C[N@H+](CC(=O)N1CCO[C@@H]2CCCC[C@H]21)Cc1cc(Br)cs1 ZINC000613683684 567055318 /nfs/dbraw/zinc/05/53/18/567055318.db2.gz FAYKNGSWGURREQ-HUUCEWRRSA-N 1 2 387.343 3.112 10 0 GGAELO C[N@@H+](CC(=O)N1CCO[C@@H]2CCCC[C@H]21)Cc1cc(Br)cs1 ZINC000613683684 567055326 /nfs/dbraw/zinc/05/53/26/567055326.db2.gz FAYKNGSWGURREQ-HUUCEWRRSA-N 1 2 387.343 3.112 10 0 GGAELO C[C@@H]([NH2+][C@@H](C)c1ncc(Br)cn1)C(=O)NCc1ccc(Cl)cc1 ZINC000431105030 567055397 /nfs/dbraw/zinc/05/53/97/567055397.db2.gz XLTARSNVVHDGNE-WDEREUQCSA-N 1 2 397.704 3.248 10 0 GGAELO C[C@@H]([NH2+][C@@H]1CCCN(c2cccc(F)c2)C1=O)c1ncc(Br)cn1 ZINC000431108651 567055446 /nfs/dbraw/zinc/05/54/46/567055446.db2.gz VAANITDYVOVAND-IAQYHMDHSA-N 1 2 393.260 3.224 10 0 GGAELO Cc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ncc(Br)cn2)cc1F ZINC000431105441 567055529 /nfs/dbraw/zinc/05/55/29/567055529.db2.gz YXIFCXSCHJIGLN-WDEREUQCSA-N 1 2 381.249 3.364 10 0 GGAELO COc1ccc(C[N@@H+]2CCO[C@H](C(F)F)CC2)c(Br)c1OC ZINC000634752609 567055596 /nfs/dbraw/zinc/05/55/96/567055596.db2.gz PCNXIDDYXQEPIF-LBPRGKRZSA-N 1 2 380.229 3.322 10 0 GGAELO COc1ccc(C[N@H+]2CCO[C@H](C(F)F)CC2)c(Br)c1OC ZINC000634752609 567055605 /nfs/dbraw/zinc/05/56/05/567055605.db2.gz PCNXIDDYXQEPIF-LBPRGKRZSA-N 1 2 380.229 3.322 10 0 GGAELO COc1ccc(C[N@@H+]2CCO[C@@H](C(F)F)CC2)c(Br)c1OC ZINC000634752608 567056451 /nfs/dbraw/zinc/05/64/51/567056451.db2.gz PCNXIDDYXQEPIF-GFCCVEGCSA-N 1 2 380.229 3.322 10 0 GGAELO COc1ccc(C[N@H+]2CCO[C@@H](C(F)F)CC2)c(Br)c1OC ZINC000634752608 567056457 /nfs/dbraw/zinc/05/64/57/567056457.db2.gz PCNXIDDYXQEPIF-GFCCVEGCSA-N 1 2 380.229 3.322 10 0 GGAELO FC(F)[C@@H]1CC[N@H+](Cc2nc(-c3cc(Br)cs3)no2)CCO1 ZINC000634752216 567056526 /nfs/dbraw/zinc/05/65/26/567056526.db2.gz HVBFBGFNKBROFO-VIFPVBQESA-N 1 2 394.241 3.417 10 0 GGAELO FC(F)[C@@H]1CC[N@@H+](Cc2nc(-c3cc(Br)cs3)no2)CCO1 ZINC000634752216 567056531 /nfs/dbraw/zinc/05/65/31/567056531.db2.gz HVBFBGFNKBROFO-VIFPVBQESA-N 1 2 394.241 3.417 10 0 GGAELO FC(F)[C@@H]1CC[N@H+](Cc2nnc(-c3ccccc3Br)o2)CCO1 ZINC000634750430 567056686 /nfs/dbraw/zinc/05/66/86/567056686.db2.gz WPPJJQGJVYQBEH-LBPRGKRZSA-N 1 2 388.212 3.355 10 0 GGAELO FC(F)[C@@H]1CC[N@@H+](Cc2nnc(-c3ccccc3Br)o2)CCO1 ZINC000634750430 567056692 /nfs/dbraw/zinc/05/66/92/567056692.db2.gz WPPJJQGJVYQBEH-LBPRGKRZSA-N 1 2 388.212 3.355 10 0 GGAELO C[C@@H]([NH2+][C@H](C)c1ncc(Br)cn1)C(=O)Nc1ccc(F)cc1F ZINC000431128769 567056743 /nfs/dbraw/zinc/05/67/43/567056743.db2.gz SEZCNEZGBDGCMU-RKDXNWHRSA-N 1 2 385.212 3.195 10 0 GGAELO COc1ccc2c(c1)nc(C[NH2+]Cc1c(F)cncc1Br)n2C ZINC000657436781 567056781 /nfs/dbraw/zinc/05/67/81/567056781.db2.gz CKOQPARQYCEQPU-UHFFFAOYSA-N 1 2 379.233 3.168 10 0 GGAELO C[C@@H]([NH2+][C@@H](C)C(=O)N1c2ccccc2C[C@H]1C)c1ncc(Br)cn1 ZINC000431122082 567056902 /nfs/dbraw/zinc/05/69/02/567056902.db2.gz YQKDHXOMJDFYDE-UPJWGTAASA-N 1 2 389.297 3.256 10 0 GGAELO C[C@H]([NH2+][C@@H](C)c1ncc(Br)cn1)C(=O)Nc1ccc(F)cc1F ZINC000431128768 567057090 /nfs/dbraw/zinc/05/70/90/567057090.db2.gz SEZCNEZGBDGCMU-IUCAKERBSA-N 1 2 385.212 3.195 10 0 GGAELO C[C@H]([NH2+][C@@H](C)c1ncc(Br)cn1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000431122081 567057128 /nfs/dbraw/zinc/05/71/28/567057128.db2.gz YQKDHXOMJDFYDE-AVGNSLFASA-N 1 2 389.297 3.256 10 0 GGAELO C[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1)c1ncc(Br)cn1 ZINC000431116850 567057247 /nfs/dbraw/zinc/05/72/47/567057247.db2.gz DVYMSMUOEAGZHM-TUAOUCFPSA-N 1 2 395.276 3.295 10 0 GGAELO NC(=O)c1coc(C[NH2+]Cc2cc(C(F)(F)F)ccc2Br)c1 ZINC000565332145 567059008 /nfs/dbraw/zinc/05/90/08/567059008.db2.gz BVNNBEAKOPLROC-UHFFFAOYSA-N 1 2 377.160 3.450 10 0 GGAELO CCS(=O)(=O)c1ccc(C[NH2+]Cc2c(F)cncc2Br)s1 ZINC000657453174 567059029 /nfs/dbraw/zinc/05/90/29/567059029.db2.gz QWZPHABACBETGZ-UHFFFAOYSA-N 1 2 393.303 3.128 10 0 GGAELO C[C@H]([NH2+]Cc1ccc(O[C@@H]2CCOC2)cc1)c1ncc(Br)cn1 ZINC000657473452 567059898 /nfs/dbraw/zinc/05/98/98/567059898.db2.gz JROYFHBKMJSNIY-BLLLJJGKSA-N 1 2 378.270 3.258 10 0 GGAELO CC[N@@H+]1CC[C@@H](NC(=O)Cn2cc(Cl)cn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000584673523 567060007 /nfs/dbraw/zinc/06/00/07/567060007.db2.gz OCCCFILFBGZXKQ-NVXWUHKLSA-N 1 2 385.270 3.281 10 0 GGAELO CC[N@H+]1CC[C@@H](NC(=O)Cn2cc(Cl)cn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000584673523 567060013 /nfs/dbraw/zinc/06/00/13/567060013.db2.gz OCCCFILFBGZXKQ-NVXWUHKLSA-N 1 2 385.270 3.281 10 0 GGAELO O=C([C@@H]1CCc2[nH+]ccn2C1)N1CCc2cc(Br)c(Cl)cc21 ZINC000682570400 567060925 /nfs/dbraw/zinc/06/09/25/567060925.db2.gz PXFCSGLYLXLRBE-LLVKDONJSA-N 1 2 380.673 3.451 10 0 GGAELO O=C1C[C@@H]([NH2+]Cc2c(F)cncc2Br)CN1c1ccccc1F ZINC000657472283 567061282 /nfs/dbraw/zinc/06/12/82/567061282.db2.gz LKEJZWLZOUNFLM-SNVBAGLBSA-N 1 2 382.208 3.017 10 0 GGAELO CCc1ccc(C[NH+]2CCN(C(=O)c3cccc([S@@](C)=O)c3)CC2)s1 ZINC000613794217 567062652 /nfs/dbraw/zinc/06/26/52/567062652.db2.gz CKVVDABBCDMZBM-RUZDIDTESA-N 1 2 376.547 3.006 10 0 GGAELO COc1ccc(C[NH+]2CCN(c3ccccc3)CC2)c(Br)c1O ZINC000545560685 567063059 /nfs/dbraw/zinc/06/30/59/567063059.db2.gz DPAHJZXVKDZORO-UHFFFAOYSA-N 1 2 377.282 3.486 10 0 GGAELO C[C@@H]([NH2+]Cc1ccc(S(C)(=O)=O)s1)c1ncc(-c2ccccc2)n1C ZINC000453211367 567063798 /nfs/dbraw/zinc/06/37/98/567063798.db2.gz FBGIFNNTSXRQPA-CYBMUJFWSA-N 1 2 375.519 3.403 10 0 GGAELO OC[C@@H]([NH2+]Cc1nnc(-c2ccccc2Br)o1)c1ccsc1 ZINC000473157521 567065823 /nfs/dbraw/zinc/06/58/23/567065823.db2.gz CWZIBLRKSSKASR-CYBMUJFWSA-N 1 2 380.267 3.384 10 0 GGAELO OC[C@H]([NH2+]Cc1nc(-c2cccc(Br)c2)no1)c1ccsc1 ZINC000473169970 567065950 /nfs/dbraw/zinc/06/59/50/567065950.db2.gz KTXBFNTVZNJNGP-ZDUSSCGKSA-N 1 2 380.267 3.384 10 0 GGAELO COc1cc(Br)ccc1[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000613865602 567067929 /nfs/dbraw/zinc/06/79/29/567067929.db2.gz HBCWYZNUNMSEBG-LERXQTSPSA-N 1 2 378.270 3.172 10 0 GGAELO COc1cc(Br)ccc1[C@H](C)NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000613864981 567068082 /nfs/dbraw/zinc/06/80/82/567068082.db2.gz BQRNMMXUBJJNEU-WDEREUQCSA-N 1 2 378.270 3.163 10 0 GGAELO COc1cc(Br)ccc1[C@H](C)NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000613864981 567068085 /nfs/dbraw/zinc/06/80/85/567068085.db2.gz BQRNMMXUBJJNEU-WDEREUQCSA-N 1 2 378.270 3.163 10 0 GGAELO Cc1sc(NC(=O)C[N@@H+]2C[C@H](O)C3(CC3)C2)nc1-c1ccc(Cl)cc1 ZINC000584756713 567068687 /nfs/dbraw/zinc/06/86/87/567068687.db2.gz RODFHWOPBODUIU-AWEZNQCLSA-N 1 2 377.897 3.167 10 0 GGAELO Cc1sc(NC(=O)C[N@H+]2C[C@H](O)C3(CC3)C2)nc1-c1ccc(Cl)cc1 ZINC000584756713 567068697 /nfs/dbraw/zinc/06/86/97/567068697.db2.gz RODFHWOPBODUIU-AWEZNQCLSA-N 1 2 377.897 3.167 10 0 GGAELO Cc1cc(NC(=O)C[N@@H+]2CCC[C@@H](c3ccncn3)C2)ccc1Br ZINC000613888205 567069090 /nfs/dbraw/zinc/06/90/90/567069090.db2.gz SBYYDVQXZLLBOQ-CQSZACIVSA-N 1 2 389.297 3.366 10 0 GGAELO Cc1cc(NC(=O)C[N@H+]2CCC[C@@H](c3ccncn3)C2)ccc1Br ZINC000613888205 567069094 /nfs/dbraw/zinc/06/90/94/567069094.db2.gz SBYYDVQXZLLBOQ-CQSZACIVSA-N 1 2 389.297 3.366 10 0 GGAELO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]Cc1cnc(C(F)(F)F)nc1 ZINC000657550142 567069829 /nfs/dbraw/zinc/06/98/29/567069829.db2.gz OHSRGBIABSQIEQ-UHFFFAOYSA-N 1 2 393.818 3.232 10 0 GGAELO CCOc1c(Br)cc(C[NH2+][C@@H]2C[C@H](C)n3ncnc32)cc1OC ZINC000657567495 567070506 /nfs/dbraw/zinc/07/05/06/567070506.db2.gz RRGHZJFRNJLFDO-GXFFZTMASA-N 1 2 381.274 3.244 10 0 GGAELO O=C(N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000613903255 567070551 /nfs/dbraw/zinc/07/05/51/567070551.db2.gz YUAFNURHMPFDKD-DGCLKSJQSA-N 1 2 379.291 3.217 10 0 GGAELO O=C(N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000613903255 567070561 /nfs/dbraw/zinc/07/05/61/567070561.db2.gz YUAFNURHMPFDKD-DGCLKSJQSA-N 1 2 379.291 3.217 10 0 GGAELO Cc1nn(-c2ccccc2Br)cc1C[NH2+][C@@H]1C[C@@H](C)n2ncnc21 ZINC000657570901 567071207 /nfs/dbraw/zinc/07/12/07/567071207.db2.gz UXGPHPPWQOEGRU-IAQYHMDHSA-N 1 2 387.285 3.330 10 0 GGAELO Cc1ccc([C@@H](CCn2cncn2)[NH2+]Cc2nn(C)cc2Br)cc1 ZINC000453310010 567074952 /nfs/dbraw/zinc/07/49/52/567074952.db2.gz QMGJBPHVSIVZFB-MRXNPFEDSA-N 1 2 389.301 3.004 10 0 GGAELO COCCN(Cc1cc(Br)cs1)C(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000613977736 567075364 /nfs/dbraw/zinc/07/53/64/567075364.db2.gz YKABVIYLAFEESE-NSHDSACASA-N 1 2 398.326 3.014 10 0 GGAELO COCCN(Cc1cc(Br)cs1)C(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000613977736 567075370 /nfs/dbraw/zinc/07/53/70/567075370.db2.gz YKABVIYLAFEESE-NSHDSACASA-N 1 2 398.326 3.014 10 0 GGAELO COCCN(Cc1cc(Br)cs1)C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000613977735 567075685 /nfs/dbraw/zinc/07/56/85/567075685.db2.gz YKABVIYLAFEESE-LLVKDONJSA-N 1 2 398.326 3.014 10 0 GGAELO COCCN(Cc1cc(Br)cs1)C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000613977735 567075690 /nfs/dbraw/zinc/07/56/90/567075690.db2.gz YKABVIYLAFEESE-LLVKDONJSA-N 1 2 398.326 3.014 10 0 GGAELO CCNc1c(N)c[nH+]c2c(Br)ccc(I)c12 ZINC000584882434 567077100 /nfs/dbraw/zinc/07/71/00/567077100.db2.gz HDGHYCXPEUZLLO-UHFFFAOYSA-N 1 2 392.038 3.038 10 0 GGAELO C[C@H]([NH2+]Cc1nn(C)cc1I)c1cnn(C2CCCC2)c1 ZINC000453344164 567077563 /nfs/dbraw/zinc/07/75/63/567077563.db2.gz DBRKJMCPRRZCJG-NSHDSACASA-N 1 2 399.280 3.187 10 0 GGAELO CCNc1c(N)c[nH+]c2c(I)ccc(Br)c12 ZINC000584882607 567077756 /nfs/dbraw/zinc/07/77/56/567077756.db2.gz LUQXSXVLZDMYCK-UHFFFAOYSA-N 1 2 392.038 3.038 10 0 GGAELO CC[C@@H]([NH2+]Cc1nn(C)cc1I)c1cccc(OC)c1 ZINC000453360143 567080212 /nfs/dbraw/zinc/08/02/12/567080212.db2.gz JOHRPKAJVUDRHK-CQSZACIVSA-N 1 2 385.249 3.274 10 0 GGAELO Cn1c[nH+]cc1Cc1noc(-c2cc3c(cc(Br)cc3F)[nH]2)n1 ZINC000545842303 567080215 /nfs/dbraw/zinc/08/02/15/567080215.db2.gz JYFYZVUHADRWMP-UHFFFAOYSA-N 1 2 376.189 3.444 10 0 GGAELO Cc1ccc(CCNc2ncnc3cccc(I)c32)c[nH+]1 ZINC000545867333 567081669 /nfs/dbraw/zinc/08/16/69/567081669.db2.gz PESYNTQONHDVKX-UHFFFAOYSA-N 1 2 390.228 3.014 10 0 GGAELO COc1cc(Br)c(C[NH2+]Cc2nccc(OC)c2F)c(OC)c1 ZINC000657673199 567082470 /nfs/dbraw/zinc/08/24/70/567082470.db2.gz PRPNNUHOZOQXCJ-UHFFFAOYSA-N 1 2 385.233 3.299 10 0 GGAELO Cc1ccc(C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)c(C)c1Br ZINC000682908739 567082558 /nfs/dbraw/zinc/08/25/58/567082558.db2.gz JEAKPWVJEUTLBB-HNNXBMFYSA-N 1 2 381.314 3.003 10 0 GGAELO CCc1cc(N[C@@H](C)c2ncc(Br)cn2)nc(-c2ccncc2)[nH+]1 ZINC000431494134 567084146 /nfs/dbraw/zinc/08/41/46/567084146.db2.gz FCNJVZJQNQPZJM-NSHDSACASA-N 1 2 385.269 3.249 10 0 GGAELO O=C(NCCc1cc(Cl)ccc1Br)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000565632315 567084357 /nfs/dbraw/zinc/08/43/57/567084357.db2.gz WOARELVJKWHDMQ-LBPRGKRZSA-N 1 2 397.704 3.225 10 0 GGAELO O=C(NCCc1cc(Cl)ccc1Br)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000565632315 567084362 /nfs/dbraw/zinc/08/43/62/567084362.db2.gz WOARELVJKWHDMQ-LBPRGKRZSA-N 1 2 397.704 3.225 10 0 GGAELO CCc1cc(N[C@H](C)c2ncc(Br)cn2)nc(-c2ccncc2)[nH+]1 ZINC000431494038 567084621 /nfs/dbraw/zinc/08/46/21/567084621.db2.gz FCNJVZJQNQPZJM-LLVKDONJSA-N 1 2 385.269 3.249 10 0 GGAELO CC(C)(CNC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1)c1cccc(Br)c1 ZINC000521948164 567088308 /nfs/dbraw/zinc/08/83/08/567088308.db2.gz YVJKYKHEWFQYKW-AWEZNQCLSA-N 1 2 391.313 3.307 10 0 GGAELO CC(C)(CNC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1)c1cccc(Br)c1 ZINC000521948164 567088313 /nfs/dbraw/zinc/08/83/13/567088313.db2.gz YVJKYKHEWFQYKW-AWEZNQCLSA-N 1 2 391.313 3.307 10 0 GGAELO C[C@@H](c1ccccc1Br)N(C)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000521947945 567088690 /nfs/dbraw/zinc/08/86/90/567088690.db2.gz OHFFWKUKOZFUAG-RYUDHWBXSA-N 1 2 377.286 3.432 10 0 GGAELO C[C@@H](c1ccccc1Br)N(C)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000521947945 567088698 /nfs/dbraw/zinc/08/86/98/567088698.db2.gz OHFFWKUKOZFUAG-RYUDHWBXSA-N 1 2 377.286 3.432 10 0 GGAELO C[N@@H+]1CC[C@H](NC(=O)NCCOC(F)(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000473553145 567088804 /nfs/dbraw/zinc/08/88/04/567088804.db2.gz PCIKNWBTWPLUQG-QWHCGFSZSA-N 1 2 383.773 3.060 10 0 GGAELO C[N@H+]1CC[C@H](NC(=O)NCCOC(F)(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000473553145 567088808 /nfs/dbraw/zinc/08/88/08/567088808.db2.gz PCIKNWBTWPLUQG-QWHCGFSZSA-N 1 2 383.773 3.060 10 0 GGAELO O=C(CC[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1)Nc1c(Cl)cccc1Cl ZINC000565702852 567091741 /nfs/dbraw/zinc/09/17/41/567091741.db2.gz IQJMBWDTAOEGGT-UHFFFAOYSA-N 1 2 384.267 3.025 10 0 GGAELO CCS(=O)(=O)C1(C[NH2+]Cc2csc(COc3ccc(C)cc3)n2)CC1 ZINC000657757144 567092460 /nfs/dbraw/zinc/09/24/60/567092460.db2.gz BPSYHKKRLPGEMR-UHFFFAOYSA-N 1 2 380.535 3.087 10 0 GGAELO O=C(NCc1ncccc1O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000473638041 567093389 /nfs/dbraw/zinc/09/33/89/567093389.db2.gz LSFBBMAJXHFLAO-KRWDZBQOSA-N 1 2 390.281 3.003 10 0 GGAELO CCc1ccc(C[NH+]2CCN(C(=O)N[C@H](C3CC3)C(F)(F)F)CC2)s1 ZINC000565737781 567093947 /nfs/dbraw/zinc/09/39/47/567093947.db2.gz ODJBDZSRPPKYNS-OAHLLOKOSA-N 1 2 375.460 3.479 10 0 GGAELO Cc1nc(CC2CC2)sc1C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000473700466 567097657 /nfs/dbraw/zinc/09/76/57/567097657.db2.gz YCADEMDSQYXMDS-UHFFFAOYSA-N 1 2 375.563 3.466 10 0 GGAELO O=C(NCc1cc(Br)ccc1OC(F)F)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635465557 567100881 /nfs/dbraw/zinc/10/08/81/567100881.db2.gz LSAASWRUVPWXMK-GHMZBOCLSA-N 1 2 386.196 3.194 10 0 GGAELO O=C(NCc1cc(Br)ccc1OC(F)F)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635465557 567100890 /nfs/dbraw/zinc/10/08/90/567100890.db2.gz LSAASWRUVPWXMK-GHMZBOCLSA-N 1 2 386.196 3.194 10 0 GGAELO CCCCCS(=O)(=O)N[C@@H]1CC[N@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000546073960 567104092 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379.555 3.381 10 0 GGAELO Cc1ccsc1-c1nc(=NC(=O)NCC[C@@H](C)[NH+]2CCCCC2)s[nH]1 ZINC000473820753 567105305 /nfs/dbraw/zinc/10/53/05/567105305.db2.gz JQLIRWHOSIFRCL-CYBMUJFWSA-N 1 2 379.555 3.383 10 0 GGAELO O=C(Cc1ccc(Br)cc1O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000431744476 567105492 /nfs/dbraw/zinc/10/54/92/567105492.db2.gz MNSJAMKGFTZENV-UHFFFAOYSA-N 1 2 394.656 3.315 10 0 GGAELO Cc1cc(C)n([C@@H](C)C(=O)NCc2cn3cc(Br)cc(C)c3[nH+]2)n1 ZINC000546113276 567105497 /nfs/dbraw/zinc/10/54/97/567105497.db2.gz VCTKKVARAOFXDS-ZDUSSCGKSA-N 1 2 390.285 3.096 10 0 GGAELO CCC[N@H+](C)C[C@@H]1CCN(C(=O)N=c2nc(-c3sccc3C)[nH]s2)C1 ZINC000473833818 567106169 /nfs/dbraw/zinc/10/61/69/567106169.db2.gz DLRHGZRFOMBJQJ-ZDUSSCGKSA-N 1 2 379.555 3.193 10 0 GGAELO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N=c2nc(-c3sccc3C)[nH]s2)C1 ZINC000473833818 567106176 /nfs/dbraw/zinc/10/61/76/567106176.db2.gz DLRHGZRFOMBJQJ-ZDUSSCGKSA-N 1 2 379.555 3.193 10 0 GGAELO Clc1ccccc1OCC[NH+]1CCN(Cc2cn3ccsc3n2)CC1 ZINC000522208492 567106355 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567283056 /nfs/dbraw/zinc/28/30/56/567283056.db2.gz SXDLOVBWPQBUCY-CABCVRRESA-N 1 2 398.345 3.008 10 0 GGAELO C[C@@H]([NH2+]Cc1nc2cc(Br)ccc2[nH]1)c1nnc2n1CCCCC2 ZINC000660262869 567283112 /nfs/dbraw/zinc/28/31/12/567283112.db2.gz UTHUMVFKLPKUKN-LLVKDONJSA-N 1 2 389.301 3.494 10 0 GGAELO C[C@@H]([NH2+]CC(=O)N(C)Cc1ccc(Cl)s1)c1nnc2n1CCCCC2 ZINC000660259338 567283646 /nfs/dbraw/zinc/28/36/46/567283646.db2.gz IOTNITRRODDHMS-GFCCVEGCSA-N 1 2 381.933 3.029 10 0 GGAELO Cc1cn2cc(NC(=O)Cc3ccccc3I)ccc2[nH+]1 ZINC000433933941 567283640 /nfs/dbraw/zinc/28/36/40/567283640.db2.gz NGXOZYGOAJTWCK-UHFFFAOYSA-N 1 2 391.212 3.429 10 0 GGAELO Cc1cc(Br)ccc1CN(C)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000433933254 567284305 /nfs/dbraw/zinc/28/43/05/567284305.db2.gz STGAUEOPQPFCDE-UHFFFAOYSA-N 1 2 398.345 3.010 10 0 GGAELO Cc1cc(Br)ccc1CN(C)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000433933254 567284314 /nfs/dbraw/zinc/28/43/14/567284314.db2.gz STGAUEOPQPFCDE-UHFFFAOYSA-N 1 2 398.345 3.010 10 0 GGAELO 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O=C(c1csc(=O)[nH]1)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000526921166 567297708 /nfs/dbraw/zinc/29/77/08/567297708.db2.gz HWHPRTROXGGJLJ-UHFFFAOYSA-N 1 2 386.304 3.156 10 0 GGAELO OC[C@]1([NH2+]Cc2ncc(Br)cc2Cl)CCOc2ccccc21 ZINC000660478897 567299886 /nfs/dbraw/zinc/29/98/86/567299886.db2.gz SWYLQAXDVWPVNT-MRXNPFEDSA-N 1 2 383.673 3.257 10 0 GGAELO Cc1ccn2cc(CNC(=O)COc3ccc(F)cc3Br)[nH+]c2c1 ZINC000617352126 567301997 /nfs/dbraw/zinc/30/19/97/567301997.db2.gz FPDPLJBEZAEXFD-UHFFFAOYSA-N 1 2 392.228 3.240 10 0 GGAELO O=C(N[C@@H](CO)CC(F)F)[C@H](c1c(F)cccc1Cl)[NH+]1CCCCC1 ZINC000434277357 567302122 /nfs/dbraw/zinc/30/21/22/567302122.db2.gz YRHMZTLCHBKTIR-BZNIZROVSA-N 1 2 378.822 3.138 10 0 GGAELO Cc1ncc(Br)cc1NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000455791681 567303726 /nfs/dbraw/zinc/30/37/26/567303726.db2.gz CFMRCCYTYQQUNM-UHFFFAOYSA-N 1 2 390.285 3.338 10 0 GGAELO Brc1cncc(Br)c1C[NH+]1CC(C2CCOCC2)C1 ZINC000685846387 567305070 /nfs/dbraw/zinc/30/50/70/567305070.db2.gz 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COC(=O)c1ccc(C[NH2+]C2(c3cc(Br)ccc3OC)CC2)nc1 ZINC000592137529 567316705 /nfs/dbraw/zinc/31/67/05/567316705.db2.gz FIFFAPSBVIYTPD-UHFFFAOYSA-N 1 2 391.265 3.418 10 0 GGAELO O=C(N[C@H]1CCc2c1ccc(Cl)c2Cl)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000660660924 567316749 /nfs/dbraw/zinc/31/67/49/567316749.db2.gz XLEFWHQGDRAKFR-WBMJQRKESA-N 1 2 384.307 3.097 10 0 GGAELO C[C@@H](NC(=O)NCC1(c2cccc(Br)c2)CC1)c1[nH+]ccn1C ZINC000660671345 567318070 /nfs/dbraw/zinc/31/80/70/567318070.db2.gz KINILTJDXWSJSU-GFCCVEGCSA-N 1 2 377.286 3.275 10 0 GGAELO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@H+](Cc2ncc(Br)cc2Cl)C1 ZINC000660668523 567318189 /nfs/dbraw/zinc/31/81/89/567318189.db2.gz GHVDUEKQBHBSPE-NWDGAFQWSA-N 1 2 394.700 3.279 10 0 GGAELO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@@H+](Cc2ncc(Br)cc2Cl)C1 ZINC000660668523 567318192 /nfs/dbraw/zinc/31/81/92/567318192.db2.gz GHVDUEKQBHBSPE-NWDGAFQWSA-N 1 2 394.700 3.279 10 0 GGAELO O=C1C[C@@H]([N@@H+]2CC[C@@H](CC(F)(F)F)C2)C(=O)N1c1ccc(F)c(Cl)c1 ZINC000568349534 567321313 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3.005 10 0 GGAELO Brc1cccc(Cc2noc(C[N@@H+]3CCC[C@H]3c3cn[nH]c3)n2)c1 ZINC000639779906 567322876 /nfs/dbraw/zinc/32/28/76/567322876.db2.gz BFONLAGIIYLDGG-HNNXBMFYSA-N 1 2 388.269 3.483 10 0 GGAELO Brc1cccc(Cc2noc(C[N@H+]3CCC[C@H]3c3cn[nH]c3)n2)c1 ZINC000639779906 567322881 /nfs/dbraw/zinc/32/28/81/567322881.db2.gz BFONLAGIIYLDGG-HNNXBMFYSA-N 1 2 388.269 3.483 10 0 GGAELO C[C@@H](NC(=O)NC[C@H](C)Oc1ccc(Br)cc1)c1[nH+]ccn1C ZINC000660772546 567325909 /nfs/dbraw/zinc/32/59/09/567325909.db2.gz WIOIHBLZBSSQBI-NWDGAFQWSA-N 1 2 381.274 3.010 10 0 GGAELO CCOc1cc(C[N@@H+]2CC[C@H](Nc3ncccn3)C2)cc(Br)c1O ZINC000568394960 567326360 /nfs/dbraw/zinc/32/63/60/567326360.db2.gz GBTIVJSGGVYZIH-ZDUSSCGKSA-N 1 2 393.285 3.030 10 0 GGAELO C[C@@H]1C[N@H+](CCNC(=O)c2c(Cl)cc(F)cc2Br)[C@H](C)CO1 ZINC000617720038 567329123 /nfs/dbraw/zinc/32/91/23/567329123.db2.gz YLOGZVFOLFQMLI-NXEZZACHSA-N 1 2 393.684 3.081 10 0 GGAELO C[C@@H]1C[N@@H+](CCNC(=O)c2c(Cl)cc(F)cc2Br)[C@H](C)CO1 ZINC000617720038 567329131 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GGAELO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)CSc1cccc(C(F)(F)F)c1 ZINC000617743166 567332434 /nfs/dbraw/zinc/33/24/34/567332434.db2.gz GSPFXWIRMAKXRP-OLZOCXBDSA-N 1 2 376.444 3.023 10 0 GGAELO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)CSc1cccc(C(F)(F)F)c1 ZINC000617743166 567332439 /nfs/dbraw/zinc/33/24/39/567332439.db2.gz GSPFXWIRMAKXRP-OLZOCXBDSA-N 1 2 376.444 3.023 10 0 GGAELO CCN(CC)c1ccc(CNC(=O)Nc2ccnc(C)c2Br)c[nH+]1 ZINC000527337760 567332700 /nfs/dbraw/zinc/33/27/00/567332700.db2.gz CZSOSTUASMCBPT-UHFFFAOYSA-N 1 2 392.301 3.137 10 0 GGAELO Cc1ccc(Cl)cc1S(=O)(=O)Nc1cc[nH+]c(C)c1Br ZINC000527361926 567333697 /nfs/dbraw/zinc/33/36/97/567333697.db2.gz UEZWCELWVBVBSO-UHFFFAOYSA-N 1 2 375.675 3.337 10 0 GGAELO CCCc1[nH+]c2ccccc2n1CCC(=O)NCc1nnc(SC)s1 ZINC000527365246 567335407 /nfs/dbraw/zinc/33/54/07/567335407.db2.gz RVSLMZWKPXEVQK-UHFFFAOYSA-N 1 2 375.523 3.269 10 0 GGAELO Cc1cc[nH+]cc1N1CCN(C(=O)COc2c(Cl)cccc2Cl)CC1 ZINC000500667447 567336781 /nfs/dbraw/zinc/33/67/81/567336781.db2.gz QPNUOVNXGJIODQ-UHFFFAOYSA-N 1 2 380.275 3.424 10 0 GGAELO Cc1cc[nH+]cc1N1CCN(C(=O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000500660339 567336830 /nfs/dbraw/zinc/33/68/30/567336830.db2.gz AIULMABRYLJFHG-UHFFFAOYSA-N 1 2 380.275 3.424 10 0 GGAELO Cc1csc(C(=O)N2CCN(c3c[nH+]ccc3C)CC2)c1Br ZINC000500659831 567337350 /nfs/dbraw/zinc/33/73/50/567337350.db2.gz AVAHFAQMPBOBOB-UHFFFAOYSA-N 1 2 380.311 3.485 10 0 GGAELO Cc1[nH+]c2ccc(C(=O)N[C@H](CO)c3cccc(Br)c3)cc2n1C ZINC000476576341 567337462 /nfs/dbraw/zinc/33/74/62/567337462.db2.gz ZDQCBCHAXSYBGX-MRXNPFEDSA-N 1 2 388.265 3.108 10 0 GGAELO Cc1cc[nH+]cc1N1CCN(C(=O)c2c(F)cc(Br)cc2F)CC1 ZINC000500663141 567337535 /nfs/dbraw/zinc/33/75/35/567337535.db2.gz LWHSNEVMDZAEQG-UHFFFAOYSA-N 1 2 396.235 3.393 10 0 GGAELO OC[C@@H]1C[N@H+](Cc2nc3ccc(Br)cc3o2)C[C@H]1C(F)(F)F ZINC000640044137 567338763 /nfs/dbraw/zinc/33/87/63/567338763.db2.gz NWKACTXUIHZTAI-WCBMZHEXSA-N 1 2 379.176 3.193 10 0 GGAELO OC[C@@H]1C[N@@H+](Cc2nc3ccc(Br)cc3o2)C[C@H]1C(F)(F)F ZINC000640044137 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376.913 3.465 10 0 GGAELO Cc1ccc(NCc2c[nH+]c3ccc(Br)cn23)cc1S(C)(=O)=O ZINC000500738095 567341877 /nfs/dbraw/zinc/34/18/77/567341877.db2.gz WGSHRINMVPUYQK-UHFFFAOYSA-N 1 2 394.294 3.421 10 0 GGAELO COc1ncncc1C[N@@H+]1CCC[C@H]1c1ccccc1I ZINC000592501286 567342348 /nfs/dbraw/zinc/34/23/48/567342348.db2.gz RFBRDIAFDNYNDA-HNNXBMFYSA-N 1 2 395.244 3.427 10 0 GGAELO COc1ncncc1C[N@H+]1CCC[C@H]1c1ccccc1I ZINC000592501286 567342355 /nfs/dbraw/zinc/34/23/55/567342355.db2.gz RFBRDIAFDNYNDA-HNNXBMFYSA-N 1 2 395.244 3.427 10 0 GGAELO Cc1nc(C)c([C@H](C)N(C)C(=O)NCc2[nH+]ccn2CC(F)(F)F)s1 ZINC000592519867 567343814 /nfs/dbraw/zinc/34/38/14/567343814.db2.gz ZXUFAIZUEKUQGA-JTQLQIEISA-N 1 2 375.420 3.421 10 0 GGAELO C[C@H](NC(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1)c1[nH+]ccn1C ZINC000661062824 567344289 /nfs/dbraw/zinc/34/42/89/567344289.db2.gz HFQJLWMPAYJQRJ-AAEUAGOBSA-N 1 2 382.295 3.366 10 0 GGAELO Cc1nn(C)c(C[N@H+]2CC[C@H](C)[C@@H](C(=O)OC(C)(C)C)C2)c1Br ZINC000592516793 567344308 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CC(C)N(Cc1cc(Br)ccc1F)C(=O)NCCc1cn(C)c[nH+]1 ZINC000459192322 567607055 /nfs/dbraw/zinc/60/70/55/567607055.db2.gz YLZGYTWCFJYQMV-UHFFFAOYSA-N 1 2 397.292 3.484 10 0 GGAELO COc1cc(C[NH2+][C@@H]2CS(=O)(=O)Cc3ccccc32)cc(Cl)c1OC ZINC000621735899 567607422 /nfs/dbraw/zinc/60/74/22/567607422.db2.gz UDBHCNPRKCVTEJ-MRXNPFEDSA-N 1 2 381.881 3.117 10 0 GGAELO COc1cc(Br)ccc1C[NH2+][C@@H]1CS(=O)(=O)Cc2ccccc21 ZINC000621735712 567607680 /nfs/dbraw/zinc/60/76/80/567607680.db2.gz PCEYUJMFVBBGOX-MRXNPFEDSA-N 1 2 396.306 3.217 10 0 GGAELO C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@H+](C)Cc1cnc(N(C)C)nc1 ZINC000506032885 567607848 /nfs/dbraw/zinc/60/78/48/567607848.db2.gz STQYYHLMTZSLQM-NSHDSACASA-N 1 2 382.295 3.308 10 0 GGAELO C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@@H+](C)Cc1cnc(N(C)C)nc1 ZINC000506032885 567607856 /nfs/dbraw/zinc/60/78/56/567607856.db2.gz STQYYHLMTZSLQM-NSHDSACASA-N 1 2 382.295 3.308 10 0 GGAELO C[C@H]([NH2+][C@@H](c1ccc(Br)cc1)C(F)F)[C@H](C)N1CCOCC1 ZINC000621751230 567607988 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GGAELO Cn1ncc(C(F)(F)F)c1C[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000667623063 567761298 /nfs/dbraw/zinc/76/12/98/567761298.db2.gz IHEVXBGOUYODRD-UHFFFAOYSA-N 1 2 392.223 3.235 10 0 GGAELO COc1ncc(Br)cc1C[NH2+][C@@H](c1nnc[nH]1)C1CCCCC1 ZINC000624134465 567761773 /nfs/dbraw/zinc/76/17/73/567761773.db2.gz VZQFLLQNVZHCLG-CQSZACIVSA-N 1 2 380.290 3.382 10 0 GGAELO COC[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)s1)c1cccc(Cl)c1 ZINC000554982461 567761822 /nfs/dbraw/zinc/76/18/22/567761822.db2.gz MXVGLFKSHNZHES-OAHLLOKOSA-N 1 2 388.942 3.129 10 0 GGAELO Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@@H](C)Cc1ccc(Br)cc1)CC2 ZINC000624165437 567764844 /nfs/dbraw/zinc/76/48/44/567764844.db2.gz CGTVFXMCWQMZBI-SWLSCSKDSA-N 1 2 376.298 3.264 10 0 GGAELO O=S1(=O)NC(C[N@H+]2CC[C@H](c3cccc(Cl)c3)C2)=Nc2ccccc21 ZINC000574230814 567765310 /nfs/dbraw/zinc/76/53/10/567765310.db2.gz WSYWAPJMDLQNFA-AWEZNQCLSA-N 1 2 375.881 3.151 10 0 GGAELO O=S1(=O)NC(C[N@@H+]2CC[C@H](c3cccc(Cl)c3)C2)=Nc2ccccc21 ZINC000574230814 567765318 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1408261170 /nfs/dbraw/zinc/26/11/70/1408261170.db2.gz FJSFGYQYWKVTSK-OAQYLSRUSA-N 1 2 378.472 3.100 10 0 GGAELO COc1ccc(C(=O)CCC(=O)N2CC[N@H+]3CCc4ccccc4[C@H]3C2)cc1 ZINC000062456392 1408261183 /nfs/dbraw/zinc/26/11/83/1408261183.db2.gz FJSFGYQYWKVTSK-OAQYLSRUSA-N 1 2 378.472 3.100 10 0 GGAELO Cn1cc([C@@H]2C[C@H]2C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)cn1 ZINC000064386602 1408543756 /nfs/dbraw/zinc/54/37/56/1408543756.db2.gz AFFZPSKPTTZHJO-DAYGRLMNSA-N 1 2 390.890 3.269 10 0 GGAELO O=C(CCn1cc[nH+]c1)Nc1cccc(C(=O)N[C@@H]2C[C@@H]2c2cccc(F)c2)c1 ZINC000067106121 1409011269 /nfs/dbraw/zinc/01/12/69/1409011269.db2.gz CASJUJUDZUKQIK-WOJBJXKFSA-N 1 2 392.434 3.337 10 0 GGAELO CC(C)CCC(=O)NCC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000067152100 1409023502 /nfs/dbraw/zinc/02/35/02/1409023502.db2.gz IETHODMNEIKQJE-KRWDZBQOSA-N 1 2 397.922 3.285 10 0 GGAELO O=C(N[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000067568179 1409168268 /nfs/dbraw/zinc/16/82/68/1409168268.db2.gz FLOUPWSNYNPHNM-DLBZAZTESA-N 1 2 390.409 3.488 10 0 GGAELO CC(C)Cc1noc(C[NH+]2CCC3(C[C@@H]3c3nc(-c4cccnc4)no3)CC2)n1 ZINC000069741450 1409687176 /nfs/dbraw/zinc/68/71/76/1409687176.db2.gz UFSWXMMWPYIHGB-MRXNPFEDSA-N 1 2 394.479 3.483 10 0 GGAELO CC(C)Cc1noc(C[NH+]2CCC3(C[C@H]3c3nc(-c4cccnc4)no3)CC2)n1 ZINC000069741452 1409687480 /nfs/dbraw/zinc/68/74/80/1409687480.db2.gz UFSWXMMWPYIHGB-INIZCTEOSA-N 1 2 394.479 3.483 10 0 GGAELO Cc1ccn2cc(CNC(=O)[C@@H](c3ccccc3)[NH+]3CCSCC3)nc2c1 ZINC000070448143 1409745914 /nfs/dbraw/zinc/74/59/14/1409745914.db2.gz DOLBJJFRIFVSCM-HXUWFJFHSA-N 1 2 380.517 3.049 10 0 GGAELO CCOC(=O)COc1cccc(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000071998357 1409835087 /nfs/dbraw/zinc/83/50/87/1409835087.db2.gz BWGYUMCREXUVNI-UHFFFAOYSA-N 1 2 379.416 3.126 10 0 GGAELO O=C1c2ccccc2C(=O)N1CCc1[nH+]ccn1Cc1ccc(OC(F)F)cc1 ZINC000078815268 1409937766 /nfs/dbraw/zinc/93/77/66/1409937766.db2.gz NARPUUGWTYOHGD-UHFFFAOYSA-N 1 2 397.381 3.372 10 0 GGAELO 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1410831538 /nfs/dbraw/zinc/83/15/38/1410831538.db2.gz CJJYEQGAVLBPFH-HNNXBMFYSA-N 1 2 376.884 3.020 10 0 GGAELO COc1ccccc1C[N@@H+](CCO)CC(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000103143920 1410831542 /nfs/dbraw/zinc/83/15/42/1410831542.db2.gz CJJYEQGAVLBPFH-HNNXBMFYSA-N 1 2 376.884 3.020 10 0 GGAELO COc1ccccc1C[N@H+](CCO)CC(=O)N(C)[C@H](C)c1ccc(Cl)cc1 ZINC000103143767 1410831556 /nfs/dbraw/zinc/83/15/56/1410831556.db2.gz BKSXLYKBQXGPBM-MRXNPFEDSA-N 1 2 390.911 3.363 10 0 GGAELO COc1ccccc1C[N@@H+](CCO)CC(=O)N(C)[C@H](C)c1ccc(Cl)cc1 ZINC000103143767 1410831559 /nfs/dbraw/zinc/83/15/59/1410831559.db2.gz BKSXLYKBQXGPBM-MRXNPFEDSA-N 1 2 390.911 3.363 10 0 GGAELO O=C(NCCCCNc1cccc[nH+]1)C(O)(c1ccccc1)c1ccccc1 ZINC000109628050 1411801680 /nfs/dbraw/zinc/80/16/80/1411801680.db2.gz GRXZRDFEFXXKLF-UHFFFAOYSA-N 1 2 375.472 3.326 10 0 GGAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)N[C@H]2CCC[C@@H]2c2ccccc2)CC1 ZINC000115682421 1412760218 /nfs/dbraw/zinc/76/02/18/1412760218.db2.gz HZYDNKYARQYKKU-IRLDBZIGSA-N 1 2 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1414653177 /nfs/dbraw/zinc/65/31/77/1414653177.db2.gz ADIKTCLYWQESJW-RHSMWYFYSA-N 1 2 377.872 3.285 10 0 GGAELO C[C@@H]1CCN(C(=O)c2nn(-c3ccccc3)c3c2CCC3)C[C@H]1n1cc[nH+]c1 ZINC000123446336 1414735126 /nfs/dbraw/zinc/73/51/26/1414735126.db2.gz BPTWEIPRHMSUMU-OXQOHEQNSA-N 1 2 375.476 3.281 10 0 GGAELO CCCCOc1cccc(NC(=O)C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000177707793 1428838970 /nfs/dbraw/zinc/83/89/70/1428838970.db2.gz GKAOMRHTHKUVCJ-VQIMIIECSA-N 1 2 384.480 3.110 10 0 GGAELO C[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2OC2CCCC2)C[C@H]1n1cc[nH+]c1 ZINC000177708728 1428839348 /nfs/dbraw/zinc/83/93/48/1428839348.db2.gz GMLDJFAQQKYGBC-VQIMIIECSA-N 1 2 396.491 3.253 10 0 GGAELO C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(SC(F)F)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000177708978 1428839434 /nfs/dbraw/zinc/83/94/34/1428839434.db2.gz HLBFOUZQZWHDSO-DOMZBBRYSA-N 1 2 394.447 3.246 10 0 GGAELO C[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2OC2CCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000177708696 1428839502 /nfs/dbraw/zinc/83/95/02/1428839502.db2.gz 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Cc1nn(-c2ccccc2)cc1CNc1ccc(N2CCC(CO)CC2)c[nH+]1 ZINC000150934744 1417838935 /nfs/dbraw/zinc/83/89/35/1417838935.db2.gz BPECTBBDBMKVRC-UHFFFAOYSA-N 1 2 377.492 3.397 10 0 GGAELO C[C@H]1CCN(S(=O)(=O)c2ccc(F)cc2C(F)(F)F)C[C@@H]1n1cc[nH+]c1 ZINC000151257666 1417906199 /nfs/dbraw/zinc/90/61/99/1417906199.db2.gz ATZMAJYMKAVJOG-FZMZJTMJSA-N 1 2 391.390 3.313 10 0 GGAELO CCCCN(C)c1ccc(NC(=O)C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000151414462 1417957987 /nfs/dbraw/zinc/95/79/87/1417957987.db2.gz HAWUFHBRWDLGNJ-YLJYHZDGSA-N 1 2 397.523 3.168 10 0 GGAELO CSc1ccc(NC(=O)C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1Cl ZINC000151421864 1417959713 /nfs/dbraw/zinc/95/97/13/1417959713.db2.gz DYFIYNKIFLZNNT-SWLSCSKDSA-N 1 2 392.912 3.307 10 0 GGAELO O=C(NCc1ccc(COCc2ccccc2)cc1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000151446582 1417974784 /nfs/dbraw/zinc/97/47/84/1417974784.db2.gz FVYQHGQMKLHWOM-OAQYLSRUSA-N 1 2 375.472 3.479 10 0 GGAELO Cc1nc2ccccc2n1CCCNC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000151728049 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/nfs/dbraw/zinc/25/74/31/1435257431.db2.gz CYSBDIUNJGONCR-ZYSHUDEJSA-N 1 2 394.479 3.151 10 0 GGAELO Cc1noc(C[C@H](NC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c2ccccc2)n1 ZINC000277057195 1435257504 /nfs/dbraw/zinc/25/75/04/1435257504.db2.gz CYSBDIUNJGONCR-MNEFBYGVSA-N 1 2 394.479 3.151 10 0 GGAELO FC(F)(F)c1ccccc1OCC1CC[NH+](Cc2nnc3n2CCOC3)CC1 ZINC000280980934 1435751089 /nfs/dbraw/zinc/75/10/89/1435751089.db2.gz CXSZYWIMGBXBOK-UHFFFAOYSA-N 1 2 396.413 3.118 10 0 GGAELO C[C@H](C(=O)Nc1ccccc1Cc1ccccc1)[N@@H+]1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000281206339 1435796068 /nfs/dbraw/zinc/79/60/68/1435796068.db2.gz AUCBXAKGKIWIAE-BSIFCXSSSA-N 1 2 393.487 3.035 10 0 GGAELO C[C@H](C(=O)Nc1ccccc1Cc1ccccc1)[N@H+]1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000281206339 1435796069 /nfs/dbraw/zinc/79/60/69/1435796069.db2.gz AUCBXAKGKIWIAE-BSIFCXSSSA-N 1 2 393.487 3.035 10 0 GGAELO C[C@@]12CCC(=O)N1[C@H](C(=O)Oc1ccc(-c3[nH+]cc4n3CCCC4)cc1)CS2 ZINC000284162697 1436000658 /nfs/dbraw/zinc/00/06/58/1436000658.db2.gz FQAZHWJTOVLFJK-LAUBAEHRSA-N 1 2 397.500 3.246 10 0 GGAELO CCO[C@@H](Cc1ccccc1)N1CC[NH+](CCC(=O)c2ccc(OC)cc2)CC1 ZINC000022859864 206297987 /nfs/dbraw/zinc/29/79/87/206297987.db2.gz OXUZJSKOROCEBZ-DEOSSOPVSA-N 1 2 396.531 3.491 10 0 GGAELO Cc1cc(/C=C/C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)c(C)n1C1CC1 ZINC000011130222 206821953 /nfs/dbraw/zinc/82/19/53/206821953.db2.gz AEBMOPQIYGOMKT-XBXARRHUSA-N 1 2 380.492 3.001 10 0 GGAELO CCn1cc(C[NH+]2CCC(c3ncc(Cl)cc3S(C)(=O)=O)CC2)c(C)n1 ZINC000012186960 206867220 /nfs/dbraw/zinc/86/72/20/206867220.db2.gz ANSOGKKOOWIORS-UHFFFAOYSA-N 1 2 396.944 3.043 10 0 GGAELO CCOC(=O)c1c(C)oc2nc(C[N@H+](C)Cc3ccc(C)cc3C)[nH]c(=O)c21 ZINC000014022090 207008454 /nfs/dbraw/zinc/00/84/54/207008454.db2.gz XQQFJTROTXJFPV-UHFFFAOYSA-N 1 2 383.448 3.250 10 0 GGAELO CCOC(=O)c1c(C)oc2nc(C[N@@H+](C)Cc3ccc(C)cc3C)[nH]c(=O)c21 ZINC000014022090 207008456 /nfs/dbraw/zinc/00/84/56/207008456.db2.gz XQQFJTROTXJFPV-UHFFFAOYSA-N 1 2 383.448 3.250 10 0 GGAELO COc1ccccc1NC(=O)Cc1noc(C[N@H+](C)Cc2ccc(F)cc2)n1 ZINC000014085478 207009445 /nfs/dbraw/zinc/00/94/45/207009445.db2.gz TXQRMTRHHGWINK-UHFFFAOYSA-N 1 2 384.411 3.031 10 0 GGAELO COc1ccccc1NC(=O)Cc1noc(C[N@@H+](C)Cc2ccc(F)cc2)n1 ZINC000014085478 207009449 /nfs/dbraw/zinc/00/94/49/207009449.db2.gz TXQRMTRHHGWINK-UHFFFAOYSA-N 1 2 384.411 3.031 10 0 GGAELO CC[C@H](c1nnc(SCC(=O)N2CCCC2)n1Cc1ccccc1)[NH+](C)C ZINC000014124080 207010518 /nfs/dbraw/zinc/01/05/18/207010518.db2.gz QPUSPRJAAIGFBN-QGZVFWFLSA-N 1 2 387.553 3.054 10 0 GGAELO C[C@@H]1CCCC[C@]12NC(=O)N(C[N@H+](C)CCOc1ccc(Cl)cc1)C2=O ZINC000014241291 207018353 /nfs/dbraw/zinc/01/83/53/207018353.db2.gz DGJRZKTYGABNCX-KUHUBIRLSA-N 1 2 379.888 3.109 10 0 GGAELO C[C@@H]1CCCC[C@]12NC(=O)N(C[N@@H+](C)CCOc1ccc(Cl)cc1)C2=O ZINC000014241291 207018357 /nfs/dbraw/zinc/01/83/57/207018357.db2.gz DGJRZKTYGABNCX-KUHUBIRLSA-N 1 2 379.888 3.109 10 0 GGAELO CC[N@H+](CC(=O)NCc1cccs1)Cc1cc(Cl)cc2c1OCOC2 ZINC000014252158 207019909 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O=S(=O)(NC[C@@H](c1cccnc1)[N@@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000015941975 207068502 /nfs/dbraw/zinc/06/85/02/207068502.db2.gz JQSAUAOVLFVURA-QFIPXVFZSA-N 1 2 393.512 3.160 10 0 GGAELO O=S(=O)(NC[C@@H](c1cccnc1)[N@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000015941975 207068506 /nfs/dbraw/zinc/06/85/06/207068506.db2.gz JQSAUAOVLFVURA-QFIPXVFZSA-N 1 2 393.512 3.160 10 0 GGAELO Cc1ccc2[nH+]c(COC(=O)c3nn(C(C)C)c(=O)c4ccccc43)cn2c1 ZINC000016250476 207074940 /nfs/dbraw/zinc/07/49/40/207074940.db2.gz PUYVLLVLCZVZNW-UHFFFAOYSA-N 1 2 376.416 3.291 10 0 GGAELO Cc1ccccc1Cc1cc2c(n(CC3CC3)c1=O)CC[N@H+](Cc1cc[nH]n1)C2 ZINC000019300802 207114783 /nfs/dbraw/zinc/11/47/83/207114783.db2.gz HZIRDZZNIYHGLZ-UHFFFAOYSA-N 1 2 388.515 3.439 10 0 GGAELO Cc1ccccc1Cc1cc2c(n(CC3CC3)c1=O)CC[N@@H+](Cc1cc[nH]n1)C2 ZINC000019300802 207114787 /nfs/dbraw/zinc/11/47/87/207114787.db2.gz HZIRDZZNIYHGLZ-UHFFFAOYSA-N 1 2 388.515 3.439 10 0 GGAELO Cc1ccccc1NC(=S)N(CCC[NH+]1CCOCC1)Cc1ccccn1 ZINC000020107617 207178241 /nfs/dbraw/zinc/17/82/41/207178241.db2.gz XDFWLOHIPWSPKE-UHFFFAOYSA-N 1 2 384.549 3.311 10 0 GGAELO CCN1CC[NH+]([C@@H](c2cccs2)[C@@H](C)NC(=O)c2ccc(OC)cc2)CC1 ZINC000020288071 207185716 /nfs/dbraw/zinc/18/57/16/207185716.db2.gz CJJODRLVNMCIAF-OXQOHEQNSA-N 1 2 387.549 3.254 10 0 GGAELO CCN1CC[NH+]([C@@H](c2cccs2)[C@@H](C)NC(=O)c2ccc(F)cc2)CC1 ZINC000020288126 207186162 /nfs/dbraw/zinc/18/61/62/207186162.db2.gz JGUSEISULZEGFX-DNVCBOLYSA-N 1 2 375.513 3.384 10 0 GGAELO CCN1CC[NH+]([C@H](c2cccs2)[C@@H](C)NC(=O)c2ccc(OC)cc2)CC1 ZINC000020288068 207186438 /nfs/dbraw/zinc/18/64/38/207186438.db2.gz CJJODRLVNMCIAF-UZLBHIALSA-N 1 2 387.549 3.254 10 0 GGAELO CCOc1ccc2oc(=O)cc(C[NH+]3CCN(C(=O)c4ccccc4)CC3)c2c1 ZINC000020463647 207196217 /nfs/dbraw/zinc/19/62/17/207196217.db2.gz FBONFUYLBUGHGA-UHFFFAOYSA-N 1 2 392.455 3.150 10 0 GGAELO Fc1ccc(-c2noc3ncnc(N4CCN(c5cccc[nH+]5)CC4)c23)cc1 ZINC000020574429 207204424 /nfs/dbraw/zinc/20/44/24/207204424.db2.gz ULCAMFVRNCAFDL-UHFFFAOYSA-N 1 2 376.395 3.146 10 0 GGAELO CCOc1cc2[nH]c(=S)n(CC[N@@H+]3CCCC[C@H]3C)c(=O)c2cc1OCC ZINC000020644605 207209521 /nfs/dbraw/zinc/20/95/21/207209521.db2.gz IULJJIUOFBTKTH-CQSZACIVSA-N 1 2 391.537 3.357 10 0 GGAELO CCOc1cc2[nH]c(=S)n(CC[N@H+]3CCCC[C@H]3C)c(=O)c2cc1OCC ZINC000020644605 207209525 /nfs/dbraw/zinc/20/95/25/207209525.db2.gz IULJJIUOFBTKTH-CQSZACIVSA-N 1 2 391.537 3.357 10 0 GGAELO Cn1nc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c2c1-c1ccsc1CC2 ZINC000020993108 207222959 /nfs/dbraw/zinc/22/29/59/207222959.db2.gz REHHRMFLGQGAMR-UHFFFAOYSA-N 1 2 392.528 3.205 10 0 GGAELO CC[N@H+](CCCNC(=O)[C@H]1Cc2ccccc2N1C(C)=O)c1cccc(C)c1 ZINC000021148171 207226975 /nfs/dbraw/zinc/22/69/75/207226975.db2.gz FICDFVLPQGLJRP-JOCHJYFZSA-N 1 2 379.504 3.305 10 0 GGAELO CC[N@@H+](CCCNC(=O)[C@H]1Cc2ccccc2N1C(C)=O)c1cccc(C)c1 ZINC000021148171 207226979 /nfs/dbraw/zinc/22/69/79/207226979.db2.gz FICDFVLPQGLJRP-JOCHJYFZSA-N 1 2 379.504 3.305 10 0 GGAELO O=C([C@H]1CCCN(c2[nH]c3ccccc3[nH+]2)C1)N1CCN(c2ccccc2)CC1 ZINC000021159223 207227189 /nfs/dbraw/zinc/22/71/89/207227189.db2.gz IWRPKJJUAYASEB-SFHVURJKSA-N 1 2 389.503 3.128 10 0 GGAELO COc1ccc2[nH]c(N3CCC[C@@H](C(=O)NCCc4ccccc4)C3)[nH+]c2c1 ZINC000021146068 207227395 /nfs/dbraw/zinc/22/73/95/207227395.db2.gz HPGKWFWARQZRHI-QGZVFWFLSA-N 1 2 378.476 3.147 10 0 biogenic GGAELO O=C(NCCC1=CCCCC1)c1ccc(SCC[NH+]2CCOCC2)nc1 ZINC000021663569 207233958 /nfs/dbraw/zinc/23/39/58/207233958.db2.gz CGBLGETUXLKAJE-UHFFFAOYSA-N 1 2 375.538 3.126 10 0 GGAELO Cc1ccc(CNC(=O)[C@@H]2CCC[N@H+](Cc3noc(-c4ccc(C)cc4)n3)C2)o1 ZINC000021724730 207236087 /nfs/dbraw/zinc/23/60/87/207236087.db2.gz NLRAPSITOYQFOW-GOSISDBHSA-N 1 2 394.475 3.475 10 0 GGAELO Cc1ccc(CNC(=O)[C@@H]2CCC[N@@H+](Cc3noc(-c4ccc(C)cc4)n3)C2)o1 ZINC000021724730 207236093 /nfs/dbraw/zinc/23/60/93/207236093.db2.gz NLRAPSITOYQFOW-GOSISDBHSA-N 1 2 394.475 3.475 10 0 GGAELO Cc1ccc(CNC(=O)[C@H]2CCC[N@H+](Cc3noc(-c4ccc(C)cc4)n3)C2)o1 ZINC000021724734 207237189 /nfs/dbraw/zinc/23/71/89/207237189.db2.gz NLRAPSITOYQFOW-SFHVURJKSA-N 1 2 394.475 3.475 10 0 GGAELO Cc1ccc(CNC(=O)[C@H]2CCC[N@@H+](Cc3noc(-c4ccc(C)cc4)n3)C2)o1 ZINC000021724734 207237192 /nfs/dbraw/zinc/23/71/92/207237192.db2.gz NLRAPSITOYQFOW-SFHVURJKSA-N 1 2 394.475 3.475 10 0 GGAELO Cc1ccc(N2C[C@@H](C(=O)Nc3nc(C[NH+]4CCCCC4)cs3)CC2=O)cc1 ZINC000022238320 207249706 /nfs/dbraw/zinc/24/97/06/207249706.db2.gz IUQWNKSMXAMHNB-INIZCTEOSA-N 1 2 398.532 3.429 10 0 GGAELO COc1cccc(CN2CC[N@H+](Cc3cc4ccccc4[nH]3)C[C@@H]2CCO)c1 ZINC000022913245 207263141 /nfs/dbraw/zinc/26/31/41/207263141.db2.gz DNGUVEADOPDXFA-NRFANRHFSA-N 1 2 379.504 3.245 10 0 GGAELO COc1cccc(CN2CC[N@@H+](Cc3cc4ccccc4[nH]3)C[C@@H]2CCO)c1 ZINC000022913245 207263142 /nfs/dbraw/zinc/26/31/42/207263142.db2.gz DNGUVEADOPDXFA-NRFANRHFSA-N 1 2 379.504 3.245 10 0 GGAELO C[C@@H]1C[N@@H+](CCNC(=O)c2cc(-c3ccncc3)nc3ccccc32)C[C@H](C)O1 ZINC000022612171 207257910 /nfs/dbraw/zinc/25/79/10/207257910.db2.gz JLLNRTYKGZWTOH-CALCHBBNSA-N 1 2 390.487 3.136 10 0 GGAELO 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ZINC000119738389 564286219 /nfs/dbraw/zinc/28/62/19/564286219.db2.gz PARDNATYGTYSKF-UHFFFAOYSA-N 1 2 375.274 3.131 10 0 GGAELO CS(=O)(=O)c1csc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)c1 ZINC000120094710 564304166 /nfs/dbraw/zinc/30/41/66/564304166.db2.gz XIDMFXVHTSDSGG-UHFFFAOYSA-N 1 2 381.866 3.243 10 0 GGAELO O[C@@H](COc1c(Cl)cccc1Cl)C[NH+]1CCN(c2nccs2)CC1 ZINC000021380288 564310051 /nfs/dbraw/zinc/31/00/51/564310051.db2.gz UJTGBHISEOMCCG-GFCCVEGCSA-N 1 2 388.320 3.012 10 0 GGAELO Cc1cccc(C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)c1Br ZINC000120231474 564310959 /nfs/dbraw/zinc/31/09/59/564310959.db2.gz LORIXOLRSXDCSQ-HNNXBMFYSA-N 1 2 381.314 3.084 10 0 GGAELO Cc1cc(C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)ccc1Br ZINC000120232253 564311112 /nfs/dbraw/zinc/31/11/12/564311112.db2.gz QMBKNXGFXYRACS-MRXNPFEDSA-N 1 2 381.314 3.084 10 0 GGAELO Cc1ccc(Br)c(S(=O)(=O)N(C)c2ccc[nH+]c2N(C)C)c1 ZINC000120359033 564316696 /nfs/dbraw/zinc/31/66/96/564316696.db2.gz BWASDPAUQFYFLU-UHFFFAOYSA-N 1 2 384.299 3.044 10 0 GGAELO Ic1ccc(OCCNc2cc[nH+]c(C3CC3)n2)cc1 ZINC000509934691 564318836 /nfs/dbraw/zinc/31/88/36/564318836.db2.gz NCOXURZPIRYLAO-UHFFFAOYSA-N 1 2 381.217 3.450 10 0 GGAELO Cc1ncc(C[NH+]2CCN(Cc3cc(O)ccc3Br)CC2)s1 ZINC000120453199 564321255 /nfs/dbraw/zinc/32/12/55/564321255.db2.gz MJSWYRNCUXLZDM-UHFFFAOYSA-N 1 2 382.327 3.237 10 0 GGAELO Cc1cnc(CNC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)s1 ZINC000120526937 564323698 /nfs/dbraw/zinc/32/36/98/564323698.db2.gz GGGUIYLEEZUWKD-GOEBONIOSA-N 1 2 382.892 3.489 10 0 GGAELO Cc1cnc(CNC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)s1 ZINC000120526937 564323702 /nfs/dbraw/zinc/32/37/02/564323702.db2.gz GGGUIYLEEZUWKD-GOEBONIOSA-N 1 2 382.892 3.489 10 0 GGAELO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)Cc2ccc(Br)s2)C1 ZINC000120688681 564332691 /nfs/dbraw/zinc/33/26/91/564332691.db2.gz KQZONCBSNGAJOR-GFCCVEGCSA-N 1 2 382.327 3.268 10 0 GGAELO CCc1cnc(NC(=O)N(C)C[C@@H](c2cccs2)[NH+]2CCOCC2)s1 ZINC000120743869 564334723 /nfs/dbraw/zinc/33/47/23/564334723.db2.gz KRKACNITFIMBGC-AWEZNQCLSA-N 1 2 380.539 3.304 10 0 GGAELO CC[NH+]1CCN(c2ccccc2NS(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000025001238 564335724 /nfs/dbraw/zinc/33/57/24/564335724.db2.gz UFEAZLBFURNLQN-UHFFFAOYSA-N 1 2 385.942 3.344 10 0 GGAELO CC(=O)N[C@H]1CCC[N@H+](Cc2csc(COc3ccc(Cl)cc3)n2)C1 ZINC000120846524 564339740 /nfs/dbraw/zinc/33/97/40/564339740.db2.gz WMEQBNWIXHAKFN-HNNXBMFYSA-N 1 2 379.913 3.476 10 0 GGAELO CC(=O)N[C@H]1CCC[N@@H+](Cc2csc(COc3ccc(Cl)cc3)n2)C1 ZINC000120846524 564339743 /nfs/dbraw/zinc/33/97/43/564339743.db2.gz WMEQBNWIXHAKFN-HNNXBMFYSA-N 1 2 379.913 3.476 10 0 GGAELO CC(=O)N[C@@H]1CCC[N@H+](Cc2csc(COc3ccc(Cl)cc3)n2)C1 ZINC000120846386 564339989 /nfs/dbraw/zinc/33/99/89/564339989.db2.gz WMEQBNWIXHAKFN-OAHLLOKOSA-N 1 2 379.913 3.476 10 0 GGAELO CC(=O)N[C@@H]1CCC[N@@H+](Cc2csc(COc3ccc(Cl)cc3)n2)C1 ZINC000120846386 564339995 /nfs/dbraw/zinc/33/99/95/564339995.db2.gz WMEQBNWIXHAKFN-OAHLLOKOSA-N 1 2 379.913 3.476 10 0 GGAELO CCCOc1ccc(Br)cc1CN1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000120977128 564347221 /nfs/dbraw/zinc/34/72/21/564347221.db2.gz YTALJQVHVRICMZ-QGZVFWFLSA-N 1 2 383.330 3.144 10 0 GGAELO COc1ccc(Br)cc1C[N@H+](C)CC(=O)Nc1nc(C)cs1 ZINC000026901169 564351816 /nfs/dbraw/zinc/35/18/16/564351816.db2.gz CSEOUTLIFFVJJN-UHFFFAOYSA-N 1 2 384.299 3.293 10 0 GGAELO COc1ccc(Br)cc1C[N@@H+](C)CC(=O)Nc1nc(C)cs1 ZINC000026901169 564351820 /nfs/dbraw/zinc/35/18/20/564351820.db2.gz CSEOUTLIFFVJJN-UHFFFAOYSA-N 1 2 384.299 3.293 10 0 GGAELO Cc1csc(NC(=O)C[N@H+](C)CCOc2ccc(Br)cc2)n1 ZINC000026902263 564351940 /nfs/dbraw/zinc/35/19/40/564351940.db2.gz ZOLNOGLRGGZDTJ-UHFFFAOYSA-N 1 2 384.299 3.163 10 0 GGAELO Cc1csc(NC(=O)C[N@@H+](C)CCOc2ccc(Br)cc2)n1 ZINC000026902263 564351942 /nfs/dbraw/zinc/35/19/42/564351942.db2.gz ZOLNOGLRGGZDTJ-UHFFFAOYSA-N 1 2 384.299 3.163 10 0 GGAELO CC[N@H+](CCc1nccs1)[C@@H](C(N)=O)c1ccc(Br)cc1F ZINC000121117874 564354342 /nfs/dbraw/zinc/35/43/42/564354342.db2.gz VPYXJCIUGGVXRS-CQSZACIVSA-N 1 2 386.290 3.136 10 0 GGAELO CC[N@@H+](CCc1nccs1)[C@@H](C(N)=O)c1ccc(Br)cc1F ZINC000121117874 564354345 /nfs/dbraw/zinc/35/43/45/564354345.db2.gz VPYXJCIUGGVXRS-CQSZACIVSA-N 1 2 386.290 3.136 10 0 GGAELO CN(CC[NH+]1CCOCC1)C(=O)NC[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000121202493 564358936 /nfs/dbraw/zinc/35/89/36/564358936.db2.gz DLYYBEFUPDGCJV-XJKSGUPXSA-N 1 2 386.323 3.071 10 0 GGAELO Cc1noc([C@H](C)N2CC[NH+](Cc3ccc(C)cc3Br)CC2)n1 ZINC000121309838 564363541 /nfs/dbraw/zinc/36/35/41/564363541.db2.gz HLPAKVLRYQVACL-ZDUSSCGKSA-N 1 2 379.302 3.328 10 0 GGAELO Cc1noc([C@@H](C)N2CC[NH+](Cc3ccc(Br)cc3C)CC2)n1 ZINC000121334609 564364743 /nfs/dbraw/zinc/36/47/43/564364743.db2.gz YXFGHRWZBHAQOG-CYBMUJFWSA-N 1 2 379.302 3.328 10 0 GGAELO O=C(NCc1cccnc1-n1cc[nH+]c1)C1(c2cccc(Br)c2)CC1 ZINC000029909214 564374956 /nfs/dbraw/zinc/37/49/56/564374956.db2.gz CJLJLTLQOLGTJR-UHFFFAOYSA-N 1 2 397.276 3.378 10 0 GGAELO Cc1c(Cl)cccc1S(=O)(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000121589541 564377108 /nfs/dbraw/zinc/37/71/08/564377108.db2.gz 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ZINC000032424139 564399605 /nfs/dbraw/zinc/39/96/05/564399605.db2.gz XHJYXMFCZNIZGR-MRXNPFEDSA-N 1 2 393.281 3.154 10 0 GGAELO Cc1c(Cl)cccc1S(=O)(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000032433913 564399626 /nfs/dbraw/zinc/39/96/26/564399626.db2.gz LXOQWLYIEJWHRU-LBPRGKRZSA-N 1 2 384.954 3.435 10 0 GGAELO Cc1c(Cl)cccc1S(=O)(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000032433913 564399630 /nfs/dbraw/zinc/39/96/30/564399630.db2.gz LXOQWLYIEJWHRU-LBPRGKRZSA-N 1 2 384.954 3.435 10 0 GGAELO C[C@H](CNC(=O)N1CCC[C@H]1c1cccc(Br)c1)[NH+]1CCOCC1 ZINC000122111703 564400176 /nfs/dbraw/zinc/40/01/76/564400176.db2.gz HAHZHVDQLHGXEG-PBHICJAKSA-N 1 2 396.329 3.016 10 0 GGAELO C[C@@H](Oc1ccc(F)cc1Br)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000032690237 564404753 /nfs/dbraw/zinc/40/47/53/564404753.db2.gz IIOXHECTDBBYJP-LLVKDONJSA-N 1 2 396.260 3.133 10 0 GGAELO Cn1ccnc1[C@H](O)C1CC[NH+](Cc2ccc(Br)c(F)c2)CC1 ZINC000122355346 564411037 /nfs/dbraw/zinc/41/10/37/564411037.db2.gz FMLMUMQNHVVCMZ-MRXNPFEDSA-N 1 2 382.277 3.267 10 0 GGAELO Cc1cnn(C[C@H]2C[N@H+](C[C@@H](C)c3cccc(Br)c3)CCO2)c1 ZINC000122491524 564416605 /nfs/dbraw/zinc/41/66/05/564416605.db2.gz BCEJMJFVYWXHQR-CRAIPNDOSA-N 1 2 378.314 3.459 10 0 GGAELO Cc1cnn(C[C@H]2C[N@@H+](C[C@@H](C)c3cccc(Br)c3)CCO2)c1 ZINC000122491524 564416607 /nfs/dbraw/zinc/41/66/07/564416607.db2.gz BCEJMJFVYWXHQR-CRAIPNDOSA-N 1 2 378.314 3.459 10 0 GGAELO Cc1cc(C)n(C[C@@H]2C[N@H+](Cc3ccc(Br)c(C)c3)CCO2)n1 ZINC000122551604 564419349 /nfs/dbraw/zinc/41/93/49/564419349.db2.gz ZOCWPIHUDKQPTM-KRWDZBQOSA-N 1 2 378.314 3.472 10 0 GGAELO Cc1cc(C)n(C[C@@H]2C[N@@H+](Cc3ccc(Br)c(C)c3)CCO2)n1 ZINC000122551604 564419351 /nfs/dbraw/zinc/41/93/51/564419351.db2.gz ZOCWPIHUDKQPTM-KRWDZBQOSA-N 1 2 378.314 3.472 10 0 GGAELO Cc1cc(C)n(C[C@H]2C[N@H+](Cc3ccc(Br)cc3C)CCO2)n1 ZINC000122649862 564422058 /nfs/dbraw/zinc/42/20/58/564422058.db2.gz JAQCIXNXHSYSEG-GOSISDBHSA-N 1 2 378.314 3.472 10 0 GGAELO Cc1cc(C)n(C[C@H]2C[N@@H+](Cc3ccc(Br)cc3C)CCO2)n1 ZINC000122649862 564422063 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COc1ccc(Br)cc1CC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000124188946 564473876 /nfs/dbraw/zinc/47/38/76/564473876.db2.gz KLDMIKUHLCLPOR-BBRMVZONSA-N 1 2 392.297 3.306 10 0 GGAELO COc1ccc(Br)cc1CC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000124189174 564473943 /nfs/dbraw/zinc/47/39/43/564473943.db2.gz KLDMIKUHLCLPOR-CZUORRHYSA-N 1 2 392.297 3.306 10 0 GGAELO COc1ccc(Br)cc1CC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000124188719 564474534 /nfs/dbraw/zinc/47/45/34/564474534.db2.gz KLDMIKUHLCLPOR-CJNGLKHVSA-N 1 2 392.297 3.306 10 0 GGAELO O=C(NCc1cccnc1-n1cc[nH+]c1)c1cc(Br)ccc1F ZINC000044895422 564475509 /nfs/dbraw/zinc/47/55/09/564475509.db2.gz FOZLFRQGJRQGPK-UHFFFAOYSA-N 1 2 375.201 3.099 10 0 GGAELO O=C(Cc1cccnc1)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000124439138 564482753 /nfs/dbraw/zinc/48/27/53/564482753.db2.gz PVAUMKCODVHFBP-UHFFFAOYSA-N 1 2 378.303 3.318 10 0 GGAELO CC[C@@H](Cc1cccc(Br)c1)C(=O)NCc1c[nH+]c(C)nc1N ZINC000515654232 564484746 /nfs/dbraw/zinc/48/47/46/564484746.db2.gz JLSCOAKHJBZTJF-ZDUSSCGKSA-N 1 2 377.286 3.015 10 0 GGAELO COCCN(Cc1cccs1)C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000045492205 564485317 /nfs/dbraw/zinc/48/53/17/564485317.db2.gz YSVPYPGKBMALGL-UHFFFAOYSA-N 1 2 378.885 3.407 10 0 GGAELO O[C@@H](COc1ccc(-c2ccc(Br)cc2)cc1)C[NH+]1CCOCC1 ZINC000045822033 564490766 /nfs/dbraw/zinc/49/07/66/564490766.db2.gz ULXWZUAGKRBXFO-GOSISDBHSA-N 1 2 392.293 3.188 10 0 GGAELO COc1cc(Br)ccc1C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000125183643 564505781 /nfs/dbraw/zinc/50/57/81/564505781.db2.gz ACKDXVNLFJWNDQ-SWLSCSKDSA-N 1 2 378.270 3.378 10 0 GGAELO COCc1nc2n(n1)C[C@@H](Nc1[nH+]ccc3cc(Br)ccc31)CC2 ZINC000516630767 564508048 /nfs/dbraw/zinc/50/80/48/564508048.db2.gz NWJYIXFBCFLQNH-ZDUSSCGKSA-N 1 2 388.269 3.162 10 0 GGAELO Cc1noc(CN2CC[NH+](C[C@@H](C)c3cccc(Br)c3)CC2)n1 ZINC000125370788 564512185 /nfs/dbraw/zinc/51/21/85/564512185.db2.gz PIXNIWGYBOKFQV-CYBMUJFWSA-N 1 2 379.302 3.062 10 0 GGAELO COc1ccccc1NC(=O)C[N@H+](C)[C@H](CO)c1cccc(Br)c1 ZINC000125560782 564518903 /nfs/dbraw/zinc/51/89/03/564518903.db2.gz QVPPTKJZUIKYPD-MRXNPFEDSA-N 1 2 393.281 3.062 10 0 GGAELO COc1ccccc1NC(=O)C[N@@H+](C)[C@H](CO)c1cccc(Br)c1 ZINC000125560782 564518907 /nfs/dbraw/zinc/51/89/07/564518907.db2.gz QVPPTKJZUIKYPD-MRXNPFEDSA-N 1 2 393.281 3.062 10 0 GGAELO C[C@H](NC(=O)NCc1ccc[nH+]c1N(C)C)c1ccccc1Br ZINC000047913670 564528345 /nfs/dbraw/zinc/52/83/45/564528345.db2.gz QAMWWFXDWLSNSX-LBPRGKRZSA-N 1 2 377.286 3.471 10 0 GGAELO O=C(CSc1cccc(Br)c1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000125956210 564531686 /nfs/dbraw/zinc/53/16/86/564531686.db2.gz DUZMCBTVUPWRIN-CQSZACIVSA-N 1 2 380.311 3.429 10 0 GGAELO C[C@@H]1CCN(C(=O)c2cccc(I)c2)C[C@H]1n1cc[nH+]c1 ZINC000126137302 564538012 /nfs/dbraw/zinc/53/80/12/564538012.db2.gz CAXUTHGSRSGIQH-IUODEOHRSA-N 1 2 395.244 3.211 10 0 GGAELO C[C@H]1CCN(C(=O)c2cccc(I)c2)C[C@@H]1n1cc[nH+]c1 ZINC000126137124 564538103 /nfs/dbraw/zinc/53/81/03/564538103.db2.gz CAXUTHGSRSGIQH-WFASDCNBSA-N 1 2 395.244 3.211 10 0 GGAELO C[C@@H]1CCN(C(=O)NCc2ccc(O)c(Br)c2)C[C@@H]1n1cc[nH+]c1 ZINC000126330356 564545808 /nfs/dbraw/zinc/54/58/08/564545808.db2.gz BIEXWTBLMQMXAB-DOMZBBRYSA-N 1 2 393.285 3.144 10 0 GGAELO C[C@H]1CCN(C(=O)NCc2ccc(O)c(Br)c2)C[C@@H]1n1cc[nH+]c1 ZINC000126330603 564546022 /nfs/dbraw/zinc/54/60/22/564546022.db2.gz BIEXWTBLMQMXAB-WFASDCNBSA-N 1 2 393.285 3.144 10 0 GGAELO C[C@@H](Cc1ccc(Br)cc1)NC(=O)NCc1ccc[nH+]c1N(C)C ZINC000049160508 564549323 /nfs/dbraw/zinc/54/93/23/564549323.db2.gz YMZZOYLOQFYPIE-ZDUSSCGKSA-N 1 2 391.313 3.341 10 0 GGAELO CN(C)c1[nH+]cccc1CNC(=O)NCc1cc(Br)ccc1F ZINC000049161852 564549366 /nfs/dbraw/zinc/54/93/66/564549366.db2.gz UTNMKQFFIUUORZ-UHFFFAOYSA-N 1 2 381.249 3.049 10 0 GGAELO C[N@H+](CCS(=O)(=O)c1ccc(Br)cc1)Cc1ccc(F)cc1 ZINC000049092790 564549572 /nfs/dbraw/zinc/54/95/72/564549572.db2.gz XKJKZQPHSDUVQW-UHFFFAOYSA-N 1 2 386.286 3.494 10 0 GGAELO C[N@@H+](CCS(=O)(=O)c1ccc(Br)cc1)Cc1ccc(F)cc1 ZINC000049092790 564549576 /nfs/dbraw/zinc/54/95/76/564549576.db2.gz XKJKZQPHSDUVQW-UHFFFAOYSA-N 1 2 386.286 3.494 10 0 GGAELO Cc1ccc(CC(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)s1 ZINC000126797956 564562384 /nfs/dbraw/zinc/56/23/84/564562384.db2.gz PGJSZHWDMYJROQ-PKOBYXMFSA-N 1 2 378.925 3.441 10 0 GGAELO Cc1ccc(CC(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)s1 ZINC000126797956 564562389 /nfs/dbraw/zinc/56/23/89/564562389.db2.gz PGJSZHWDMYJROQ-PKOBYXMFSA-N 1 2 378.925 3.441 10 0 GGAELO Cc1ccc(CC(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)s1 ZINC000126797742 564562435 /nfs/dbraw/zinc/56/24/35/564562435.db2.gz PGJSZHWDMYJROQ-HKUYNNGSSA-N 1 2 378.925 3.441 10 0 GGAELO Cc1ccc(CC(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)s1 ZINC000126797742 564562438 /nfs/dbraw/zinc/56/24/38/564562438.db2.gz PGJSZHWDMYJROQ-HKUYNNGSSA-N 1 2 378.925 3.441 10 0 GGAELO C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=O)NCCc2nccs2)CC1 ZINC000051337210 564563738 /nfs/dbraw/zinc/56/37/38/564563738.db2.gz CZGJFRKQJBNPMQ-CQSZACIVSA-N 1 2 378.929 3.427 10 0 GGAELO C[N@H+](CC(=O)N1CCO[C@H]2CCCC[C@@H]21)Cc1ccc(Br)s1 ZINC000051682179 564566007 /nfs/dbraw/zinc/56/60/07/564566007.db2.gz KYZJITGTEOAESK-KBPBESRZSA-N 1 2 387.343 3.112 10 0 GGAELO C[N@@H+](CC(=O)N1CCO[C@H]2CCCC[C@@H]21)Cc1ccc(Br)s1 ZINC000051682179 564566008 /nfs/dbraw/zinc/56/60/08/564566008.db2.gz KYZJITGTEOAESK-KBPBESRZSA-N 1 2 387.343 3.112 10 0 GGAELO O=C(NCc1ccnc(-n2cc[nH+]c2)c1)[C@@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000127101903 564573187 /nfs/dbraw/zinc/57/31/87/564573187.db2.gz BCWHXIMOSITINS-IAGOWNOFSA-N 1 2 397.276 3.450 10 0 GGAELO O=C(NCc1ccnc(-n2cc[nH+]c2)c1)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000127101694 564573545 /nfs/dbraw/zinc/57/35/45/564573545.db2.gz BCWHXIMOSITINS-DLBZAZTESA-N 1 2 397.276 3.450 10 0 GGAELO Cc1nccc(CNC(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)n1 ZINC000127235181 564577741 /nfs/dbraw/zinc/57/77/41/564577741.db2.gz CMJCSNKLZAPGCV-QGZVFWFLSA-N 1 2 389.297 3.001 10 0 GGAELO Brc1cccc2c1C[N@H+](Cc1cnc(N3CCOCC3)s1)CC2 ZINC000127619483 564589513 /nfs/dbraw/zinc/58/95/13/564589513.db2.gz BIXOLJYOQUKELN-UHFFFAOYSA-N 1 2 394.338 3.301 10 0 GGAELO Brc1cccc2c1C[N@@H+](Cc1cnc(N3CCOCC3)s1)CC2 ZINC000127619483 564589519 /nfs/dbraw/zinc/58/95/19/564589519.db2.gz BIXOLJYOQUKELN-UHFFFAOYSA-N 1 2 394.338 3.301 10 0 GGAELO C[N@@H+]1CC[C@@H](NC(=O)c2coc(Br)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000127615983 564589845 /nfs/dbraw/zinc/58/98/45/564589845.db2.gz WASHJHZIGUILAR-HIFRSBDPSA-N 1 2 385.208 3.496 10 0 GGAELO C[N@H+]1CC[C@@H](NC(=O)c2coc(Br)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000127615983 564589848 /nfs/dbraw/zinc/58/98/48/564589848.db2.gz WASHJHZIGUILAR-HIFRSBDPSA-N 1 2 385.208 3.496 10 0 GGAELO C[N@@H+]1CC[C@H](NC(=O)c2coc(Br)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000127615728 564589885 /nfs/dbraw/zinc/58/98/85/564589885.db2.gz WASHJHZIGUILAR-ZFWWWQNUSA-N 1 2 385.208 3.496 10 0 GGAELO C[N@H+]1CC[C@H](NC(=O)c2coc(Br)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000127615728 564589888 /nfs/dbraw/zinc/58/98/88/564589888.db2.gz WASHJHZIGUILAR-ZFWWWQNUSA-N 1 2 385.208 3.496 10 0 GGAELO C[N@@H+]1CC[C@H](NC(=O)c2occc2Br)[C@@H]1c1ccc(F)c(F)c1 ZINC000127751698 564594327 /nfs/dbraw/zinc/59/43/27/564594327.db2.gz YVSANMVTHIXILG-KBPBESRZSA-N 1 2 385.208 3.496 10 0 GGAELO C[N@H+]1CC[C@H](NC(=O)c2occc2Br)[C@@H]1c1ccc(F)c(F)c1 ZINC000127751698 564594330 /nfs/dbraw/zinc/59/43/30/564594330.db2.gz YVSANMVTHIXILG-KBPBESRZSA-N 1 2 385.208 3.496 10 0 GGAELO O=C(N[C@@H]1CCOc2ccc(Br)cc21)c1ccc(-n2cc[nH+]c2)nc1 ZINC000054311950 564603728 /nfs/dbraw/zinc/60/37/28/564603728.db2.gz OZHOQDXBWPPUCM-OAHLLOKOSA-N 1 2 399.248 3.283 10 0 GGAELO CN(C[C@@H]1CCCO1)C(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000128315835 564614090 /nfs/dbraw/zinc/61/40/90/564614090.db2.gz NNWSHDAEYUGTAN-DLBZAZTESA-N 1 2 381.314 3.223 10 0 GGAELO Cc1sc(Br)cc1S(=O)(=O)N(C)c1ccc[nH+]c1N(C)C ZINC000128342031 564615005 /nfs/dbraw/zinc/61/50/05/564615005.db2.gz OUGOCDOPALNBFR-UHFFFAOYSA-N 1 2 390.328 3.105 10 0 GGAELO CCc1ccc(C[NH+]2CCN(C(=O)c3ccc(C(=O)OC)s3)CC2)s1 ZINC000128648616 564624672 /nfs/dbraw/zinc/62/46/72/564624672.db2.gz LHLYWOJMPJVGGS-UHFFFAOYSA-N 1 2 378.519 3.117 10 0 GGAELO C[C@@H]1CCN(C(=O)[C@@H]2COc3ccc(Br)cc32)C[C@H]1n1cc[nH+]c1 ZINC000128701619 564626339 /nfs/dbraw/zinc/62/63/39/564626339.db2.gz DBMBWVZCJMLKNR-DAXOMENPSA-N 1 2 390.281 3.231 10 0 GGAELO Cc1nc(NC(=O)NC2CCN(c3cccc[nH+]3)CC2)ccc1Br ZINC000128823545 564631154 /nfs/dbraw/zinc/63/11/54/564631154.db2.gz IGUFLTKJMDZGRL-UHFFFAOYSA-N 1 2 390.285 3.338 10 0 GGAELO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)[C@@H]2CCCN2c2nccs2)CC1 ZINC000128910007 564633276 /nfs/dbraw/zinc/63/32/76/564633276.db2.gz BROYQUGCBJRRKL-ZBFHGGJFSA-N 1 2 376.551 3.079 10 0 GGAELO C[C@H](C(=O)Nc1cccc(Cl)c1Cl)[NH+]1CCC(C(=O)NC2CC2)CC1 ZINC000055915494 564634055 /nfs/dbraw/zinc/63/40/55/564634055.db2.gz DZQAPJQQMFUSTC-LLVKDONJSA-N 1 2 384.307 3.311 10 0 GGAELO O=S(=O)(NC1CCN(c2cccc[nH+]2)CC1)c1c(Cl)cccc1Cl ZINC000056060319 564638771 /nfs/dbraw/zinc/63/87/71/564638771.db2.gz UYZMKOICNLDDPS-UHFFFAOYSA-N 1 2 386.304 3.336 10 0 GGAELO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)CSCC(=O)OC(C)(C)C)CC1 ZINC000129241317 564642346 /nfs/dbraw/zinc/64/23/46/564642346.db2.gz QDTLNQZGBULGJY-AWEZNQCLSA-N 1 2 384.567 3.028 10 0 GGAELO C[NH+](C)[C@H](CNS(=O)(=O)Cc1ccc(Cl)cc1Cl)c1ccco1 ZINC000129233732 564642748 /nfs/dbraw/zinc/64/27/48/564642748.db2.gz BYMONRZQCYXLKP-CQSZACIVSA-N 1 2 377.293 3.309 10 0 GGAELO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)CSCC(=O)OC(C)(C)C)CC1 ZINC000129241548 564642935 /nfs/dbraw/zinc/64/29/35/564642935.db2.gz QDTLNQZGBULGJY-CQSZACIVSA-N 1 2 384.567 3.028 10 0 GGAELO C[C@H](NC(=O)N1CCN(c2cccc[nH+]2)CC1)c1cccc(Br)c1 ZINC000129297184 564644659 /nfs/dbraw/zinc/64/46/59/564644659.db2.gz VWLIQBQGHYPPNA-AWEZNQCLSA-N 1 2 389.297 3.437 10 0 GGAELO C[C@@H](CNC(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1)[NH+]1CCOCC1 ZINC000056863744 564653725 /nfs/dbraw/zinc/65/37/25/564653725.db2.gz DYUCWVGWDXWAPJ-ZDUSSCGKSA-N 1 2 386.323 3.388 10 0 GGAELO COCc1nc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cs1 ZINC000129809402 564661112 /nfs/dbraw/zinc/66/11/12/564661112.db2.gz BGCHNQNBPJDDDK-BBRMVZONSA-N 1 2 383.876 3.257 10 0 GGAELO COCc1nc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cs1 ZINC000129809402 564661114 /nfs/dbraw/zinc/66/11/14/564661114.db2.gz BGCHNQNBPJDDDK-BBRMVZONSA-N 1 2 383.876 3.257 10 0 GGAELO CNc1snc(C)c1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000129800330 564661167 /nfs/dbraw/zinc/66/11/67/564661167.db2.gz FPTIRFJAUITEHK-UKRRQHHQSA-N 1 2 382.892 3.461 10 0 GGAELO CNc1snc(C)c1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000129800330 564661170 /nfs/dbraw/zinc/66/11/70/564661170.db2.gz FPTIRFJAUITEHK-UKRRQHHQSA-N 1 2 382.892 3.461 10 0 GGAELO CNc1snc(C)c1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000129800562 564661280 /nfs/dbraw/zinc/66/12/80/564661280.db2.gz FPTIRFJAUITEHK-DZGCQCFKSA-N 1 2 382.892 3.461 10 0 GGAELO CNc1snc(C)c1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000129800562 564661284 /nfs/dbraw/zinc/66/12/84/564661284.db2.gz FPTIRFJAUITEHK-DZGCQCFKSA-N 1 2 382.892 3.461 10 0 GGAELO COCc1nc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cs1 ZINC000129809644 564661304 /nfs/dbraw/zinc/66/13/04/564661304.db2.gz BGCHNQNBPJDDDK-CJNGLKHVSA-N 1 2 383.876 3.257 10 0 GGAELO COCc1nc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cs1 ZINC000129809644 564661306 /nfs/dbraw/zinc/66/13/06/564661306.db2.gz BGCHNQNBPJDDDK-CJNGLKHVSA-N 1 2 383.876 3.257 10 0 GGAELO CN(C)c1[nH+]cccc1CNC(=O)NCc1cc(F)cc(Br)c1 ZINC000057249489 564664218 /nfs/dbraw/zinc/66/42/18/564664218.db2.gz LXTTWSOLCWJLQV-UHFFFAOYSA-N 1 2 381.249 3.049 10 0 GGAELO CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc2[nH+]ccn2c1 ZINC000057829297 564674989 /nfs/dbraw/zinc/67/49/89/564674989.db2.gz CBBMQGJCRLPXOB-UHFFFAOYSA-N 1 2 377.231 3.352 10 0 GGAELO C[C@@H](NC(=O)[C@@H](C)[NH+]1CCN(CC(F)F)CC1)c1ccc(Cl)cc1Cl ZINC000057919131 564677051 /nfs/dbraw/zinc/67/70/51/564677051.db2.gz FTSGIXUJCRQGGA-VXGBXAGGSA-N 1 2 394.293 3.442 10 0 GGAELO O[C@@H](COc1ccc(F)cc1)C[NH+]1CCN(Cc2ccc(Cl)s2)CC1 ZINC000057950222 564677103 /nfs/dbraw/zinc/67/71/03/564677103.db2.gz BZQXCNHYTKGDIJ-OAHLLOKOSA-N 1 2 384.904 3.098 10 0 GGAELO CCCCCc1nnc(NC(=O)NCc2[nH+]ccn2CC(F)(F)F)s1 ZINC000524365740 564681218 /nfs/dbraw/zinc/68/12/18/564681218.db2.gz XRDXRMQHPVWHKH-UHFFFAOYSA-N 1 2 376.408 3.351 10 0 GGAELO COCc1nc(C)c(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)s1 ZINC000130503280 564684236 /nfs/dbraw/zinc/68/42/36/564684236.db2.gz UAPMYKTYZPZFLS-GDBMZVCRSA-N 1 2 379.913 3.427 10 0 GGAELO COCc1nc(C)c(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)s1 ZINC000130503280 564684239 /nfs/dbraw/zinc/68/42/39/564684239.db2.gz UAPMYKTYZPZFLS-GDBMZVCRSA-N 1 2 379.913 3.427 10 0 GGAELO CN(C)c1[nH+]cccc1CNC(=O)Cc1c[nH]c2cccc(Br)c12 ZINC000130627263 564688389 /nfs/dbraw/zinc/68/83/89/564688389.db2.gz ZVRJAKHRMQPGMI-UHFFFAOYSA-N 1 2 387.281 3.250 10 0 GGAELO Cc1ncc(C[NH+]2CCN(CC(=O)Nc3c(C)cccc3Cl)CC2)s1 ZINC000131382923 564710004 /nfs/dbraw/zinc/71/00/04/564710004.db2.gz JBDOCUBHQSVABK-UHFFFAOYSA-N 1 2 378.929 3.170 10 0 GGAELO COc1cc([C@@H](C)[NH2+][C@H](C(N)=O)c2cccc(Br)c2)ccc1F ZINC000131383429 564710031 /nfs/dbraw/zinc/71/00/31/564710031.db2.gz KYEWHHFPFZPPCH-HWPZZCPQSA-N 1 2 381.245 3.474 10 0 GGAELO CC(C)Cn1cc[nH+]c1CNC(=O)COc1ccc(Br)cc1F ZINC000131523635 564714311 /nfs/dbraw/zinc/71/43/11/564714311.db2.gz WSKWRFQSQKDICI-UHFFFAOYSA-N 1 2 384.249 3.136 10 0 GGAELO Cc1ccn(-c2ccccc2CNc2[nH+]cnc3c2c(Br)nn3C)n1 ZINC000132206778 564736709 /nfs/dbraw/zinc/73/67/09/564736709.db2.gz DGWVBCZVVFLOBW-UHFFFAOYSA-N 1 2 398.268 3.232 10 0 GGAELO Cc1cc(NC(=O)CC[N@@H+]2CCc3ccc(F)c(Br)c3C2)no1 ZINC000527621375 564751160 /nfs/dbraw/zinc/75/11/60/564751160.db2.gz KGOWRPUEIIYAPS-UHFFFAOYSA-N 1 2 382.233 3.272 10 0 GGAELO Cc1cc(NC(=O)CC[N@H+]2CCc3ccc(F)c(Br)c3C2)no1 ZINC000527621375 564751166 /nfs/dbraw/zinc/75/11/66/564751166.db2.gz KGOWRPUEIIYAPS-UHFFFAOYSA-N 1 2 382.233 3.272 10 0 GGAELO Cc1cc(Br)ccc1S(=O)(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000133431641 564774088 /nfs/dbraw/zinc/77/40/88/564774088.db2.gz GTIJSYURNCDQGG-SWLSCSKDSA-N 1 2 398.326 3.226 10 0 GGAELO CCS(=O)(=O)N(C)C1CC[NH+](CCOc2c(Cl)cccc2Cl)CC1 ZINC000066879099 564777335 /nfs/dbraw/zinc/77/73/35/564777335.db2.gz QVWRYQRIGRANDE-UHFFFAOYSA-N 1 2 395.352 3.118 10 0 GGAELO O=C(N[C@@H]1CCCC[C@@H]1O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000134098978 564793720 /nfs/dbraw/zinc/79/37/20/564793720.db2.gz KHMOJIIRYQMNCD-IKGGRYGDSA-N 1 2 381.314 3.006 10 0 GGAELO CC(C)Cn1cc[nH+]c1CNC(=O)NCCOc1ncc(Cl)cc1Cl ZINC000134779185 564815465 /nfs/dbraw/zinc/81/54/65/564815465.db2.gz MSEQNSCZNZOJCL-UHFFFAOYSA-N 1 2 386.283 3.119 10 0 GGAELO CN(C)c1[nH+]cccc1CNC(=O)N[C@H]1CCc2c1cccc2Br ZINC000069270363 564836906 /nfs/dbraw/zinc/83/69/06/564836906.db2.gz GQPGSRXRIMKFLL-INIZCTEOSA-N 1 2 389.297 3.397 10 0 GGAELO O=C(N[C@@H]1CCCc2sccc21)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000136600571 564852887 /nfs/dbraw/zinc/85/28/87/564852887.db2.gz BREDAFKKDGAFFH-MRXNPFEDSA-N 1 2 376.551 3.500 10 0 GGAELO O=C(N[C@@H]1CCCc2sccc21)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000136600571 564852891 /nfs/dbraw/zinc/85/28/91/564852891.db2.gz BREDAFKKDGAFFH-MRXNPFEDSA-N 1 2 376.551 3.500 10 0 GGAELO Cc1nc(C(=O)NCCNc2cc(C)[nH+]c(C(C)C)n2)c(Br)s1 ZINC000529845202 564853531 /nfs/dbraw/zinc/85/35/31/564853531.db2.gz OQVYJIGPXGTGII-UHFFFAOYSA-N 1 2 398.330 3.278 10 0 GGAELO Cc1ccn2cc(CNC(=O)c3ccc(I)cc3)[nH+]c2c1 ZINC000071435583 564856155 /nfs/dbraw/zinc/85/61/55/564856155.db2.gz GZJLEMGCUGTGTE-UHFFFAOYSA-N 1 2 391.212 3.177 10 0 GGAELO C[NH+](C)[C@H](C(=O)NCCCNc1ncccn1)c1cc(Cl)cc(Cl)c1 ZINC000083847814 564868205 /nfs/dbraw/zinc/86/82/05/564868205.db2.gz GTEVFFKNQXBCDS-HNNXBMFYSA-N 1 2 382.295 3.005 10 0 GGAELO Cn1ccnc1CN1CC[NH+]([C@@H]2CCCc3ccc(Br)cc32)CC1 ZINC000091744421 564871613 /nfs/dbraw/zinc/87/16/13/564871613.db2.gz LPHUTEYITYZMMV-GOSISDBHSA-N 1 2 389.341 3.378 10 0 GGAELO Cc1cccn2cc(CCNc3cc(Br)cc(F)c3C(N)=O)[nH+]c12 ZINC000091731142 564871702 /nfs/dbraw/zinc/87/17/02/564871702.db2.gz FJYOBUKQWYBFFY-UHFFFAOYSA-N 1 2 391.244 3.298 10 0 GGAELO COc1c(C[N@@H+]2CCO[C@H](c3ccc(Br)cc3)C2)c(C)nn1C ZINC000092452379 564877051 /nfs/dbraw/zinc/87/70/51/564877051.db2.gz RLLGMABZXUNYEW-INIZCTEOSA-N 1 2 380.286 3.073 10 0 GGAELO COc1c(C[N@H+]2CCO[C@H](c3ccc(Br)cc3)C2)c(C)nn1C ZINC000092452379 564877053 /nfs/dbraw/zinc/87/70/53/564877053.db2.gz RLLGMABZXUNYEW-INIZCTEOSA-N 1 2 380.286 3.073 10 0 GGAELO O=C(c1ccc(I)cc1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000144270658 564877461 /nfs/dbraw/zinc/87/74/61/564877461.db2.gz JGIGHTUXKGYPIU-UHFFFAOYSA-N 1 2 381.217 3.034 10 0 GGAELO O=C(c1ccc(I)cc1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000144270658 564877465 /nfs/dbraw/zinc/87/74/65/564877465.db2.gz JGIGHTUXKGYPIU-UHFFFAOYSA-N 1 2 381.217 3.034 10 0 GGAELO CCC(=O)N[C@H]1CCC[N@H+](Cc2cc(Br)c3c(c2)OCCCO3)C1 ZINC000092705137 564879733 /nfs/dbraw/zinc/87/97/33/564879733.db2.gz NZZCFXVLNPZCLY-AWEZNQCLSA-N 1 2 397.313 3.101 10 0 GGAELO CCC(=O)N[C@H]1CCC[N@@H+](Cc2cc(Br)c3c(c2)OCCCO3)C1 ZINC000092705137 564879735 /nfs/dbraw/zinc/87/97/35/564879735.db2.gz NZZCFXVLNPZCLY-AWEZNQCLSA-N 1 2 397.313 3.101 10 0 GGAELO Brc1ccc2[nH+]cc(CN3CCO[C@@H](c4nccs4)C3)n2c1 ZINC000092831285 564882767 /nfs/dbraw/zinc/88/27/67/564882767.db2.gz KSVMTQFASXJPLC-CYBMUJFWSA-N 1 2 379.283 3.127 10 0 GGAELO Cc1occc1C(=O)NC1CC[NH+](Cc2cc(O)ccc2Br)CC1 ZINC000093010506 564883378 /nfs/dbraw/zinc/88/33/78/564883378.db2.gz NUUCLUFBTMCNFN-UHFFFAOYSA-N 1 2 393.281 3.451 10 0 GGAELO COc1sc(C[N@@H+]2CCCN(c3cccnn3)CC2)cc1Br ZINC000093150122 564884953 /nfs/dbraw/zinc/88/49/53/564884953.db2.gz SRMGOZWGTKGDJN-UHFFFAOYSA-N 1 2 383.315 3.022 10 0 GGAELO COc1sc(C[N@H+]2CCCN(c3cccnn3)CC2)cc1Br ZINC000093150122 564884955 /nfs/dbraw/zinc/88/49/55/564884955.db2.gz SRMGOZWGTKGDJN-UHFFFAOYSA-N 1 2 383.315 3.022 10 0 GGAELO CCCOc1ccc(Br)cc1C[N@H+](C)[C@H](C)[C@@H](C)S(C)(=O)=O ZINC000093420328 564886929 /nfs/dbraw/zinc/88/69/29/564886929.db2.gz LSRGZIUVNLPQOX-CHWSQXEVSA-N 1 2 392.359 3.491 10 0 GGAELO CCCOc1ccc(Br)cc1C[N@@H+](C)[C@H](C)[C@@H](C)S(C)(=O)=O ZINC000093420328 564886930 /nfs/dbraw/zinc/88/69/30/564886930.db2.gz LSRGZIUVNLPQOX-CHWSQXEVSA-N 1 2 392.359 3.491 10 0 GGAELO O[C@]1(C(F)(F)F)CC[N@H+](Cc2cc(Br)c3c(c2)OCCCO3)C1 ZINC000093611497 564887607 /nfs/dbraw/zinc/88/76/07/564887607.db2.gz IDNKRDHGPZUTAJ-CQSZACIVSA-N 1 2 396.203 3.110 10 0 GGAELO O[C@]1(C(F)(F)F)CC[N@@H+](Cc2cc(Br)c3c(c2)OCCCO3)C1 ZINC000093611497 564887609 /nfs/dbraw/zinc/88/76/09/564887609.db2.gz IDNKRDHGPZUTAJ-CQSZACIVSA-N 1 2 396.203 3.110 10 0 GGAELO Brc1ccccc1OCCN1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000093792336 564890064 /nfs/dbraw/zinc/89/00/64/564890064.db2.gz ASVAYPYDHXWVMV-MRXNPFEDSA-N 1 2 383.330 3.015 10 0 GGAELO Cc1ccc(Br)cc1S(=O)(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000151287614 564913428 /nfs/dbraw/zinc/91/34/28/564913428.db2.gz FRGXYUJVZBLXDE-IUODEOHRSA-N 1 2 398.326 3.226 10 0 GGAELO O=C(Nc1cccc(Cl)c1Cl)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000151366460 564916281 /nfs/dbraw/zinc/91/62/81/564916281.db2.gz FVOCJPDOCMBSAZ-GFCCVEGCSA-N 1 2 380.231 3.007 10 0 GGAELO O=C(CC[N@@H+]1CCO[C@@H](c2nccs2)C1)Nc1ccc(Br)cc1 ZINC000101587079 564919430 /nfs/dbraw/zinc/91/94/30/564919430.db2.gz VHOAIUMSCZAUQI-CQSZACIVSA-N 1 2 396.310 3.308 10 0 GGAELO O=C(CC[N@H+]1CCO[C@@H](c2nccs2)C1)Nc1ccc(Br)cc1 ZINC000101587079 564919434 /nfs/dbraw/zinc/91/94/34/564919434.db2.gz VHOAIUMSCZAUQI-CQSZACIVSA-N 1 2 396.310 3.308 10 0 GGAELO C[C@H](NC(=O)C[N@H+](C)Cc1cc(Br)cn1C)c1ccc(F)cc1 ZINC000151441326 564920058 /nfs/dbraw/zinc/92/00/58/564920058.db2.gz WQCPOYILYGVEMA-LBPRGKRZSA-N 1 2 382.277 3.236 10 0 GGAELO C[C@H](NC(=O)C[N@@H+](C)Cc1cc(Br)cn1C)c1ccc(F)cc1 ZINC000151441326 564920059 /nfs/dbraw/zinc/92/00/59/564920059.db2.gz WQCPOYILYGVEMA-LBPRGKRZSA-N 1 2 382.277 3.236 10 0 GGAELO C[C@H](C(=O)N[C@@H](C)c1ccccc1)[N@H+](C)Cc1cc(Br)cn1C ZINC000151495276 564922588 /nfs/dbraw/zinc/92/25/88/564922588.db2.gz UZOBQURMOYZROM-UONOGXRCSA-N 1 2 378.314 3.485 10 0 GGAELO C[C@H](C(=O)N[C@@H](C)c1ccccc1)[N@@H+](C)Cc1cc(Br)cn1C ZINC000151495276 564922590 /nfs/dbraw/zinc/92/25/90/564922590.db2.gz UZOBQURMOYZROM-UONOGXRCSA-N 1 2 378.314 3.485 10 0 GGAELO CCN(Cc1ccccc1)C(=O)C[N@H+](C)Cc1cc(Br)cn1C ZINC000151503350 564923496 /nfs/dbraw/zinc/92/34/96/564923496.db2.gz HDYYFJIOIHWCMC-UHFFFAOYSA-N 1 2 378.314 3.268 10 0 GGAELO CCN(Cc1ccccc1)C(=O)C[N@@H+](C)Cc1cc(Br)cn1C ZINC000151503350 564923498 /nfs/dbraw/zinc/92/34/98/564923498.db2.gz HDYYFJIOIHWCMC-UHFFFAOYSA-N 1 2 378.314 3.268 10 0 GGAELO C[N@@H+]1CCO[C@@H](CNC(=O)Nc2cccc(Cl)c2SCC(F)F)C1 ZINC000151747067 564934954 /nfs/dbraw/zinc/93/49/54/564934954.db2.gz PSONIIZXFAUICI-JTQLQIEISA-N 1 2 379.860 3.149 10 0 GGAELO C[N@H+]1CCO[C@@H](CNC(=O)Nc2cccc(Cl)c2SCC(F)F)C1 ZINC000151747067 564934957 /nfs/dbraw/zinc/93/49/57/564934957.db2.gz PSONIIZXFAUICI-JTQLQIEISA-N 1 2 379.860 3.149 10 0 GGAELO CCn1cnnc1[C@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000103478531 564948612 /nfs/dbraw/zinc/94/86/12/564948612.db2.gz QZCLEEJFCZAZLJ-LBPRGKRZSA-N 1 2 382.295 3.423 10 0 GGAELO CCn1cnnc1[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000103478531 564948619 /nfs/dbraw/zinc/94/86/19/564948619.db2.gz QZCLEEJFCZAZLJ-LBPRGKRZSA-N 1 2 382.295 3.423 10 0 GGAELO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1CC(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000104075631 564953062 /nfs/dbraw/zinc/95/30/62/564953062.db2.gz WGDGOJFWBDTCKE-IUCAKERBSA-N 1 2 378.687 3.171 10 0 GGAELO C[C@H]1CC[C@H](C(N)=O)C[N@H+]1CC(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000104075631 564953064 /nfs/dbraw/zinc/95/30/64/564953064.db2.gz WGDGOJFWBDTCKE-IUCAKERBSA-N 1 2 378.687 3.171 10 0 GGAELO C[C@@H](NC(=O)CSc1cccc(C(F)(F)F)c1)[C@@H](C)[NH+]1CCOCC1 ZINC000104592221 564957444 /nfs/dbraw/zinc/95/74/44/564957444.db2.gz QTUHKYSECXLCQS-CHWSQXEVSA-N 1 2 376.444 3.023 10 0 GGAELO C[C@@H](NC(=O)CSc1cccc(C(F)(F)F)c1)[C@H](C)[NH+]1CCOCC1 ZINC000104592229 564957533 /nfs/dbraw/zinc/95/75/33/564957533.db2.gz QTUHKYSECXLCQS-OLZOCXBDSA-N 1 2 376.444 3.023 10 0 GGAELO CCn1cc(C2CC[NH+]([C@@H](C(N)=O)c3ccc(Br)cc3)CC2)cn1 ZINC000104681475 564958331 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ZINC000112667811 565065238 /nfs/dbraw/zinc/06/52/38/565065238.db2.gz JKRBPGDHTSSHCQ-UHFFFAOYSA-N 1 2 392.297 3.270 10 0 GGAELO CCn1cc(CN2CCC[N@H+](Cc3cccc(Br)c3)CC2)cn1 ZINC000112731347 565065965 /nfs/dbraw/zinc/06/59/65/565065965.db2.gz JGMMGWABTMDBMA-UHFFFAOYSA-N 1 2 377.330 3.373 10 0 GGAELO CCn1cc(CN2CCC[N@@H+](Cc3cccc(Br)c3)CC2)cn1 ZINC000112731347 565065967 /nfs/dbraw/zinc/06/59/67/565065967.db2.gz JGMMGWABTMDBMA-UHFFFAOYSA-N 1 2 377.330 3.373 10 0 GGAELO CCn1cc(C2CC[NH+]([C@@H](C(N)=O)c3cccc(Br)c3)CC2)cn1 ZINC000155379957 565066912 /nfs/dbraw/zinc/06/69/12/565066912.db2.gz TVSUFRHZQUSDHH-QGZVFWFLSA-N 1 2 391.313 3.072 10 0 GGAELO CCn1cc(C2CC[NH+]([C@H](C(N)=O)c3cccc(Br)c3)CC2)cn1 ZINC000155379854 565066999 /nfs/dbraw/zinc/06/69/99/565066999.db2.gz TVSUFRHZQUSDHH-KRWDZBQOSA-N 1 2 391.313 3.072 10 0 GGAELO CC(C)c1[nH+]c2c(n1C)CCN(S(=O)(=O)c1cccc3c1N=S=N3)C2 ZINC000113299456 565069418 /nfs/dbraw/zinc/06/94/18/565069418.db2.gz YLDRCVOWZPJXIK-UHFFFAOYSA-N 1 2 377.495 3.017 10 0 GGAELO O=C(C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1)Nc1ccc(Br)cc1F ZINC000114203194 565072615 /nfs/dbraw/zinc/07/26/15/565072615.db2.gz AQUJJUKBJMBGGX-OAHLLOKOSA-N 1 2 381.249 3.477 10 0 GGAELO O=C(C[N@H+]1CCCC[C@@H]1c1cn[nH]c1)Nc1ccc(Br)cc1F ZINC000114203194 565072616 /nfs/dbraw/zinc/07/26/16/565072616.db2.gz AQUJJUKBJMBGGX-OAHLLOKOSA-N 1 2 381.249 3.477 10 0 GGAELO Cc1ncsc1-c1nc(C[S@@](=O)Cc2cn3cc(Cl)ccc3[nH+]2)no1 ZINC000155965899 565073527 /nfs/dbraw/zinc/07/35/27/565073527.db2.gz PWQIHFAJNWYSSY-RUZDIDTESA-N 1 2 393.881 3.252 10 0 GGAELO O=C(Nc1ccccc1Br)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000156306039 565079285 /nfs/dbraw/zinc/07/92/85/565079285.db2.gz MXHKTVXVACBZDU-AWEZNQCLSA-N 1 2 382.302 3.168 10 0 GGAELO Cc1nsc(N2CCC[N@@H+](Cc3sc(C)nc3C(F)(F)F)CC2)n1 ZINC000183591417 565080828 /nfs/dbraw/zinc/08/08/28/565080828.db2.gz QPCDERPUNXQNMI-UHFFFAOYSA-N 1 2 377.461 3.343 10 0 GGAELO Cc1nsc(N2CCC[N@H+](Cc3sc(C)nc3C(F)(F)F)CC2)n1 ZINC000183591417 565080835 /nfs/dbraw/zinc/08/08/35/565080835.db2.gz QPCDERPUNXQNMI-UHFFFAOYSA-N 1 2 377.461 3.343 10 0 GGAELO O=C(NCc1ccnc(-n2cc[nH+]c2)c1)N1CCc2ccc(Br)cc21 ZINC000369248360 565084046 /nfs/dbraw/zinc/08/40/46/565084046.db2.gz HMFOZIKVBQXSEC-UHFFFAOYSA-N 1 2 398.264 3.302 10 0 GGAELO Cc1ccc(NC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)c(Br)c1 ZINC000156388038 565084618 /nfs/dbraw/zinc/08/46/18/565084618.db2.gz SYPIHQBLFLQQEN-HNNXBMFYSA-N 1 2 396.329 3.476 10 0 GGAELO Cc1nc(C(F)(F)F)c(C[NH2+][C@H](CS(C)(=O)=O)c2ccccc2)s1 ZINC000183645403 565085156 /nfs/dbraw/zinc/08/51/56/565085156.db2.gz UGLNWQLVZKSGTM-GFCCVEGCSA-N 1 2 378.441 3.346 10 0 GGAELO C[C@H]1C[N@H+](Cc2nc3cc(Br)ccc3[nH]2)CC2(CCOCC2)O1 ZINC000369313328 565086856 /nfs/dbraw/zinc/08/68/56/565086856.db2.gz ZGDMOEDRDGYOGR-LBPRGKRZSA-N 1 2 380.286 3.095 10 0 GGAELO C[C@H]1C[N@@H+](Cc2nc3cc(Br)ccc3[nH]2)CC2(CCOCC2)O1 ZINC000369313328 565086860 /nfs/dbraw/zinc/08/68/60/565086860.db2.gz ZGDMOEDRDGYOGR-LBPRGKRZSA-N 1 2 380.286 3.095 10 0 GGAELO Cc1nc(C(F)(F)F)c(CS(=O)(=O)Cc2cn3ccccc3[nH+]2)s1 ZINC000183704600 565089866 /nfs/dbraw/zinc/08/98/66/565089866.db2.gz PQSHQJDJOLXPKV-UHFFFAOYSA-N 1 2 375.397 3.233 10 0 GGAELO Brc1ccc2c(c1)[C@@H]([NH2+]Cc1nnc3n1CCCC3)CCCO2 ZINC000183863922 565098911 /nfs/dbraw/zinc/09/89/11/565098911.db2.gz SYNOWYQFGJHOTR-AWEZNQCLSA-N 1 2 377.286 3.380 10 0 GGAELO Cn1c(C[NH2+][C@H](CO)c2cccc(Br)c2)nnc1-c1ccccc1 ZINC000183883486 565099660 /nfs/dbraw/zinc/09/96/60/565099660.db2.gz CXPRQSANXJOMIY-MRXNPFEDSA-N 1 2 387.281 3.068 10 0 GGAELO Cc1csc(C2CC[NH+](CC(=O)Nc3ccc(Br)cn3)CC2)n1 ZINC000156691908 565101110 /nfs/dbraw/zinc/10/11/10/565101110.db2.gz QTVZDMGXQOEQNC-UHFFFAOYSA-N 1 2 395.326 3.427 10 0 GGAELO OC[C@H]([NH2+]Cc1nc(-c2ccsc2)no1)c1cccc(Br)c1 ZINC000183885203 565101275 /nfs/dbraw/zinc/10/12/75/565101275.db2.gz MMOAVFNXIZECTM-ZDUSSCGKSA-N 1 2 380.267 3.384 10 0 GGAELO Cc1ccc(NC(=O)c2cc3c(cc2Br)NC(=O)CO3)c(C)[nH+]1 ZINC000183888546 565101883 /nfs/dbraw/zinc/10/18/83/565101883.db2.gz HHKLIWKUKVIRSW-UHFFFAOYSA-N 1 2 376.210 3.044 10 0 GGAELO C[C@H](C(=O)Nc1ccccc1Br)[N@@H+]1CCC[C@H](C2(C)OCCO2)C1 ZINC000183905505 565102572 /nfs/dbraw/zinc/10/25/72/565102572.db2.gz ACMRTGIGXXHVDJ-KGLIPLIRSA-N 1 2 397.313 3.251 10 0 GGAELO C[C@H](C(=O)Nc1ccccc1Br)[N@H+]1CCC[C@H](C2(C)OCCO2)C1 ZINC000183905505 565102579 /nfs/dbraw/zinc/10/25/79/565102579.db2.gz ACMRTGIGXXHVDJ-KGLIPLIRSA-N 1 2 397.313 3.251 10 0 GGAELO O=S1(=O)CC[C@@H]([NH2+]Cc2nc(-c3cc(Cl)ccc3Cl)cs2)C1 ZINC000156727891 565104008 /nfs/dbraw/zinc/10/40/08/565104008.db2.gz RGCJLCVFOMPITG-SNVBAGLBSA-N 1 2 377.318 3.394 10 0 GGAELO CO[C@H](C)c1noc(C[N@H+](C)CCC(=O)Nc2cccc(Br)c2)n1 ZINC000267133227 565107125 /nfs/dbraw/zinc/10/71/25/565107125.db2.gz WWANXNVHXMOSRB-LLVKDONJSA-N 1 2 397.273 3.000 10 0 GGAELO CO[C@H](C)c1noc(C[N@@H+](C)CCC(=O)Nc2cccc(Br)c2)n1 ZINC000267133227 565107131 /nfs/dbraw/zinc/10/71/31/565107131.db2.gz WWANXNVHXMOSRB-LLVKDONJSA-N 1 2 397.273 3.000 10 0 GGAELO C[C@H](C(=O)Nc1ccccc1Br)[N@@H+]1CC[C@H](Cc2cnn(C)c2)C1 ZINC000370006021 565122029 /nfs/dbraw/zinc/12/20/29/565122029.db2.gz GRXGXLSVPUYQOW-ZIAGYGMSSA-N 1 2 391.313 3.074 10 0 GGAELO C[C@H](C(=O)Nc1ccccc1Br)[N@H+]1CC[C@H](Cc2cnn(C)c2)C1 ZINC000370006021 565122032 /nfs/dbraw/zinc/12/20/32/565122032.db2.gz GRXGXLSVPUYQOW-ZIAGYGMSSA-N 1 2 391.313 3.074 10 0 GGAELO Cc1cn2c(CN3CCC[N@H+](Cc4csc(C)n4)CC3)c(C)nc2s1 ZINC000157255927 565125567 /nfs/dbraw/zinc/12/55/67/565125567.db2.gz GTAVMYMNRYYNSD-UHFFFAOYSA-N 1 2 375.567 3.485 10 0 GGAELO Cc1cn2c(CN3CCC[N@@H+](Cc4csc(C)n4)CC3)c(C)nc2s1 ZINC000157255927 565125569 /nfs/dbraw/zinc/12/55/69/565125569.db2.gz GTAVMYMNRYYNSD-UHFFFAOYSA-N 1 2 375.567 3.485 10 0 GGAELO Cc1cc(C[NH2+][C@@H](CO)c2ccc(Br)cc2C(F)(F)F)ncn1 ZINC000292687608 565129132 /nfs/dbraw/zinc/12/91/32/565129132.db2.gz DDOFAIUIWQKLPI-AWEZNQCLSA-N 1 2 390.203 3.390 10 0 GGAELO O=C(NCCOc1cccc(Br)c1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000370226089 565134374 /nfs/dbraw/zinc/13/43/74/565134374.db2.gz BVPJDEBMJYHLRM-UHFFFAOYSA-N 1 2 393.285 3.140 10 0 GGAELO O=C(NCCOc1cccc(Br)c1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000370226089 565134378 /nfs/dbraw/zinc/13/43/78/565134378.db2.gz BVPJDEBMJYHLRM-UHFFFAOYSA-N 1 2 393.285 3.140 10 0 GGAELO Cc1cnc(CC[N@@H+](C)[C@@H](C(N)=O)c2ccc(Br)cc2F)s1 ZINC000157543024 565135627 /nfs/dbraw/zinc/13/56/27/565135627.db2.gz BHVRGPXYLLYOAC-CQSZACIVSA-N 1 2 386.290 3.054 10 0 GGAELO Cc1cnc(CC[N@H+](C)[C@@H](C(N)=O)c2ccc(Br)cc2F)s1 ZINC000157543024 565135633 /nfs/dbraw/zinc/13/56/33/565135633.db2.gz BHVRGPXYLLYOAC-CQSZACIVSA-N 1 2 386.290 3.054 10 0 GGAELO O=C(Cc1cscc1Br)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000292808735 565135958 /nfs/dbraw/zinc/13/59/58/565135958.db2.gz SQXKANGMFMFKGZ-UHFFFAOYSA-N 1 2 380.311 3.365 10 0 GGAELO Cc1ccc(NC(=O)C(=O)NCc2c(C)cc(Br)cc2C)c(C)[nH+]1 ZINC000268006748 565137786 /nfs/dbraw/zinc/13/77/86/565137786.db2.gz CYDRDVQEMFKWSF-UHFFFAOYSA-N 1 2 390.281 3.333 10 0 GGAELO NC(=O)[C@H]([NH2+]Cc1nc2ccccc2n1C1CC1)c1cccc(Br)c1 ZINC000184484301 565138541 /nfs/dbraw/zinc/13/85/41/565138541.db2.gz VPZFPXQZALIRMT-GOSISDBHSA-N 1 2 399.292 3.450 10 0 GGAELO COc1cccc2sc(NC(=O)C[N@H+](C)CCc3ncc(C)s3)nc21 ZINC000157715730 565141132 /nfs/dbraw/zinc/14/11/32/565141132.db2.gz QXHFEBDNYDEASK-UHFFFAOYSA-N 1 2 376.507 3.183 10 0 GGAELO COc1cccc2sc(NC(=O)C[N@@H+](C)CCc3ncc(C)s3)nc21 ZINC000157715730 565141134 /nfs/dbraw/zinc/14/11/34/565141134.db2.gz QXHFEBDNYDEASK-UHFFFAOYSA-N 1 2 376.507 3.183 10 0 GGAELO Cc1cc(Br)cc2cc(C(=O)N3CC[C@@H]([NH+]4CCOCC4)C3)oc21 ZINC000157749259 565142249 /nfs/dbraw/zinc/14/22/49/565142249.db2.gz VWBVJXRMIWZZEN-OAHLLOKOSA-N 1 2 393.281 3.050 10 0 GGAELO Cn1nc(Br)c2c1nc[nH+]c2NCCOCc1ccc(Cl)cc1 ZINC000157745812 565142608 /nfs/dbraw/zinc/14/26/08/565142608.db2.gz HQKQUIHIQPEVTR-UHFFFAOYSA-N 1 2 396.676 3.408 10 0 GGAELO Cc1ccc(I)cc1C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000370559820 565149340 /nfs/dbraw/zinc/14/93/40/565149340.db2.gz ZLYPVUJPLLXYJJ-UHFFFAOYSA-N 1 2 395.244 3.343 10 0 GGAELO Cc1ccc(I)cc1C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000370559820 565149345 /nfs/dbraw/zinc/14/93/45/565149345.db2.gz ZLYPVUJPLLXYJJ-UHFFFAOYSA-N 1 2 395.244 3.343 10 0 GGAELO O=C(c1c(F)cccc1I)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000268412906 565151118 /nfs/dbraw/zinc/15/11/18/565151118.db2.gz UHGZROURXDXCPV-JTQLQIEISA-N 1 2 399.207 3.173 10 0 GGAELO CC(C)OC[C@@H](O)CSc1[nH+]cnc2c1cnn2-c1ccc(Cl)cc1 ZINC000157968607 565151514 /nfs/dbraw/zinc/15/15/14/565151514.db2.gz LQYKDRLZRKCVIS-CQSZACIVSA-N 1 2 378.885 3.347 10 0 GGAELO Brc1cccc2c1OCC[C@H]2[NH2+]Cc1nnnn1-c1ccccc1 ZINC000370652201 565154314 /nfs/dbraw/zinc/15/43/14/565154314.db2.gz NCCCPCNNYDAICI-OAHLLOKOSA-N 1 2 386.253 3.038 10 0 GGAELO Cc1c(I)cccc1C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000268486218 565154409 /nfs/dbraw/zinc/15/44/09/565154409.db2.gz MPCCKPUKIKBMKQ-UHFFFAOYSA-N 1 2 395.244 3.343 10 0 GGAELO O=C(c1c(F)cccc1I)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000268494480 565154645 /nfs/dbraw/zinc/15/46/45/565154645.db2.gz ORTPFMJSICMYTJ-UHFFFAOYSA-N 1 2 399.207 3.173 10 0 GGAELO COc1ccc([C@H](C)NC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)cc1Br ZINC000370672129 565155519 /nfs/dbraw/zinc/15/55/19/565155519.db2.gz BOAHKJFUOOTNBT-CMPLNLGQSA-N 1 2 393.285 3.099 10 0 GGAELO COc1ccc([C@H](C)NC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)cc1Br ZINC000370672129 565155523 /nfs/dbraw/zinc/15/55/23/565155523.db2.gz BOAHKJFUOOTNBT-CMPLNLGQSA-N 1 2 393.285 3.099 10 0 GGAELO Cc1ccc(CSCCOc2ccc(S(=O)(=O)N(C)C)cc2)c(C)[nH+]1 ZINC000184807436 565158082 /nfs/dbraw/zinc/15/80/82/565158082.db2.gz VXWOYHDXEJZXDH-UHFFFAOYSA-N 1 2 380.535 3.261 10 0 GGAELO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)c1cnn(-c2ccc(Cl)cc2Cl)c1 ZINC000370814442 565162083 /nfs/dbraw/zinc/16/20/83/565162083.db2.gz KQWJGXZCUGWTCA-LBPRGKRZSA-N 1 2 376.247 3.190 10 0 GGAELO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)c1cnn(-c2ccc(Cl)cc2Cl)c1 ZINC000370814442 565162088 /nfs/dbraw/zinc/16/20/88/565162088.db2.gz KQWJGXZCUGWTCA-LBPRGKRZSA-N 1 2 376.247 3.190 10 0 GGAELO COc1cc[nH+]cc1CNC(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000293329805 565163214 /nfs/dbraw/zinc/16/32/14/565163214.db2.gz KHNITIGWKOMQPT-CQSZACIVSA-N 1 2 392.253 3.176 10 0 GGAELO COc1cc[nH+]cc1CNC(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000293329797 565163298 /nfs/dbraw/zinc/16/32/98/565163298.db2.gz KHNITIGWKOMQPT-AWEZNQCLSA-N 1 2 392.253 3.176 10 0 GGAELO C[C@@H](c1ccc(Br)cc1)N1CC[NH+](C[C@@H](O)C(F)(F)F)CC1 ZINC000158286345 565163480 /nfs/dbraw/zinc/16/34/80/565163480.db2.gz PFRZTIJSTNZMCO-SMDDNHRTSA-N 1 2 381.236 3.051 10 0 GGAELO C[C@@H](c1ccc(Br)cc1)[NH+]1CCN(C[C@@H](O)C(F)(F)F)CC1 ZINC000158286345 565163487 /nfs/dbraw/zinc/16/34/87/565163487.db2.gz PFRZTIJSTNZMCO-SMDDNHRTSA-N 1 2 381.236 3.051 10 0 GGAELO Cc1c(Br)scc1C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000184943064 565167239 /nfs/dbraw/zinc/16/72/39/565167239.db2.gz FVRTXTZQNOSJIW-UHFFFAOYSA-N 1 2 377.267 3.330 10 0 GGAELO CCCCNC(=O)C1CC[NH+](Cc2nc3ccc(Br)cc3[nH]2)CC1 ZINC000184966335 565168724 /nfs/dbraw/zinc/16/87/24/565168724.db2.gz WFVJIMUXELCPBD-UHFFFAOYSA-N 1 2 393.329 3.454 10 0 GGAELO Brc1ccc2nc(C[NH+]3CCC(OC[C@@H]4CCCO4)CC3)[nH]c2c1 ZINC000184980056 565168745 /nfs/dbraw/zinc/16/87/45/565168745.db2.gz CMKDKNHUQQPCIF-HNNXBMFYSA-N 1 2 394.313 3.485 10 0 GGAELO CCOC(=O)c1csc(C[NH2+][C@](C)(CO)c2ccc(Br)cc2)n1 ZINC000293436262 565168969 /nfs/dbraw/zinc/16/89/69/565168969.db2.gz UTXJTBUJDAAHHI-MRXNPFEDSA-N 1 2 399.310 3.080 10 0 GGAELO COc1ccc([C@H](CO)[N@H+](C)Cc2nc3cc(Br)ccc3[nH]2)cc1 ZINC000184970807 565169157 /nfs/dbraw/zinc/16/91/57/565169157.db2.gz IRMBWXORRNCHCB-KRWDZBQOSA-N 1 2 390.281 3.499 10 0 GGAELO COc1ccc([C@H](CO)[N@@H+](C)Cc2nc3cc(Br)ccc3[nH]2)cc1 ZINC000184970807 565169159 /nfs/dbraw/zinc/16/91/59/565169159.db2.gz IRMBWXORRNCHCB-KRWDZBQOSA-N 1 2 390.281 3.499 10 0 GGAELO COc1ccc([C@H](CO)[N@H+](C)Cc2nc3ccc(Br)cc3[nH]2)cc1 ZINC000184970807 565169162 /nfs/dbraw/zinc/16/91/62/565169162.db2.gz IRMBWXORRNCHCB-KRWDZBQOSA-N 1 2 390.281 3.499 10 0 GGAELO COc1ccc([C@H](CO)[N@@H+](C)Cc2nc3ccc(Br)cc3[nH]2)cc1 ZINC000184970807 565169164 /nfs/dbraw/zinc/16/91/64/565169164.db2.gz IRMBWXORRNCHCB-KRWDZBQOSA-N 1 2 390.281 3.499 10 0 GGAELO CCO[C@@H]1C[C@@H](O)C12CC[NH+](Cc1nc3ccc(Br)cc3[nH]1)CC2 ZINC000184974154 565169690 /nfs/dbraw/zinc/16/96/90/565169690.db2.gz VNTZVAFLDONMOC-HZPDHXFCSA-N 1 2 394.313 3.077 10 0 GGAELO Oc1cccc(N2CC[NH+](Cc3nc4cc(Br)ccc4[nH]3)CC2)c1 ZINC000158600059 565174661 /nfs/dbraw/zinc/17/46/61/565174661.db2.gz FHPZOQQPYNLQDJ-UHFFFAOYSA-N 1 2 387.281 3.353 10 0 GGAELO Brc1ccc(-c2nc(C[N@@H+]3CCO[C@]4(CCOC4)C3)co2)cc1 ZINC000185151116 565181016 /nfs/dbraw/zinc/18/10/16/565181016.db2.gz VRXUFLNMKYYOOG-QGZVFWFLSA-N 1 2 379.254 3.095 10 0 GGAELO Brc1ccc(-c2nc(C[N@H+]3CCO[C@]4(CCOC4)C3)co2)cc1 ZINC000185151116 565181020 /nfs/dbraw/zinc/18/10/20/565181020.db2.gz VRXUFLNMKYYOOG-QGZVFWFLSA-N 1 2 379.254 3.095 10 0 GGAELO Cc1cc(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)c2cc(Br)ccc2n1 ZINC000371307234 565185618 /nfs/dbraw/zinc/18/56/18/565185618.db2.gz CDXNCFOARFDBLN-GFCCVEGCSA-N 1 2 385.265 3.316 10 0 GGAELO Cc1cc(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)c2cc(Br)ccc2n1 ZINC000371307234 565185621 /nfs/dbraw/zinc/18/56/21/565185621.db2.gz CDXNCFOARFDBLN-GFCCVEGCSA-N 1 2 385.265 3.316 10 0 GGAELO Cc1ccc(CS(=O)(=O)[C@H](C)C(=O)Nc2cc(Cl)ccc2F)c(C)[nH+]1 ZINC000185237898 565189420 /nfs/dbraw/zinc/18/94/20/565189420.db2.gz JTUUYVYRUKTKIS-GFCCVEGCSA-N 1 2 384.860 3.433 10 0 GGAELO CCC1(CC)C[N@H+](CC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)CC[S@@]1=O ZINC000185250136 565190184 /nfs/dbraw/zinc/19/01/84/565190184.db2.gz QELQOMYXXYBSAG-MQNRADLISA-N 1 2 384.973 3.483 10 0 GGAELO CCC1(CC)C[N@@H+](CC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)CC[S@@]1=O ZINC000185250136 565190193 /nfs/dbraw/zinc/19/01/93/565190193.db2.gz QELQOMYXXYBSAG-MQNRADLISA-N 1 2 384.973 3.483 10 0 GGAELO CCC1(CC)C[N@H+](C[C@H](O)COc2c(Cl)cccc2Cl)CC[S@]1=O ZINC000185285621 565193588 /nfs/dbraw/zinc/19/35/88/565193588.db2.gz LIIOTRFQQMXZRH-RKNYENMMSA-N 1 2 394.364 3.356 10 0 GGAELO CCC1(CC)C[N@@H+](C[C@H](O)COc2c(Cl)cccc2Cl)CC[S@]1=O ZINC000185285621 565193591 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CCn1cnnc1[C@@H]1CCC[N@@H+](Cc2nc3ccc(Br)cc3[nH]2)C1 ZINC000159129353 565195659 /nfs/dbraw/zinc/19/56/59/565195659.db2.gz PTFFTVYYYKFGTQ-GFCCVEGCSA-N 1 2 389.301 3.316 10 0 GGAELO CC(C)C[C@H](CO)[N@H+](C)Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000185347335 565196792 /nfs/dbraw/zinc/19/67/92/565196792.db2.gz PSLZTJWWPMJTKY-MRXNPFEDSA-N 1 2 382.551 3.052 10 0 GGAELO CC(C)C[C@H](CO)[N@@H+](C)Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000185347335 565196795 /nfs/dbraw/zinc/19/67/95/565196795.db2.gz PSLZTJWWPMJTKY-MRXNPFEDSA-N 1 2 382.551 3.052 10 0 GGAELO CC(C)C[C@H](CO)[N@H+](C)Cc1noc(Cc2ccc(Br)cc2)n1 ZINC000185369586 565197980 /nfs/dbraw/zinc/19/79/80/565197980.db2.gz YJAHKAWVPMTNSR-OAHLLOKOSA-N 1 2 382.302 3.262 10 0 GGAELO CC(C)C[C@H](CO)[N@@H+](C)Cc1noc(Cc2ccc(Br)cc2)n1 ZINC000185369586 565197985 /nfs/dbraw/zinc/19/79/85/565197985.db2.gz YJAHKAWVPMTNSR-OAHLLOKOSA-N 1 2 382.302 3.262 10 0 GGAELO Cc1ccc(CN(Cc2cccc(Br)c2)S(C)(=O)=O)c(C)[nH+]1 ZINC000185376121 565198191 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O=S1(=O)CCC(C[N@@H+]2CCC[C@H]2c2ccc(Br)s2)CC1 ZINC000371712816 565206927 /nfs/dbraw/zinc/20/69/27/565206927.db2.gz BAAKYNVFSLBKHY-LBPRGKRZSA-N 1 2 378.357 3.472 10 0 GGAELO COc1cc[nH+]cc1CNC(=O)N[C@H]1CCOc2ccc(Br)cc21 ZINC000294374501 565209850 /nfs/dbraw/zinc/20/98/50/565209850.db2.gz WFHQWNBWNWDGSX-AWEZNQCLSA-N 1 2 392.253 3.176 10 0 GGAELO CSCCCCCNC(=O)NC[C@@H](c1cccs1)[N@@H+]1CCO[C@@H](C)C1 ZINC000185590621 565209862 /nfs/dbraw/zinc/20/98/62/565209862.db2.gz VBCWNHOFLJMIQY-HOTGVXAUSA-N 1 2 385.599 3.342 10 0 GGAELO CSCCCCCNC(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@@H](C)C1 ZINC000185590621 565209864 /nfs/dbraw/zinc/20/98/64/565209864.db2.gz VBCWNHOFLJMIQY-HOTGVXAUSA-N 1 2 385.599 3.342 10 0 GGAELO CSCCCCCNC(=O)NC[C@H](c1ccc(C)s1)[NH+]1CCOCC1 ZINC000185589992 565209887 /nfs/dbraw/zinc/20/98/87/565209887.db2.gz UFZOXGHCQGUERQ-MRXNPFEDSA-N 1 2 385.599 3.262 10 0 GGAELO C[C@@H](NC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1)c1cn[nH]c1 ZINC000270310447 565214698 /nfs/dbraw/zinc/21/46/98/565214698.db2.gz YTPIXHVMRVZAQG-WBMJQRKESA-N 1 2 377.286 3.187 10 0 GGAELO C[C@H](NC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1)c1cn[nH]c1 ZINC000270310442 565214870 /nfs/dbraw/zinc/21/48/70/565214870.db2.gz YTPIXHVMRVZAQG-BLLLJJGKSA-N 1 2 377.286 3.187 10 0 GGAELO C[C@@H](O)C1CC[NH+](Cc2cc(Br)cc(Br)c2N)CC1 ZINC000185720577 565218073 /nfs/dbraw/zinc/21/80/73/565218073.db2.gz QTCZDLCOCVLIES-SECBINFHSA-N 1 2 392.135 3.387 10 0 GGAELO O=[S@@](Cc1cn2cc(Br)ccc2[nH+]1)Cc1ncc(C2CC2)o1 ZINC000270540970 565221458 /nfs/dbraw/zinc/22/14/58/565221458.db2.gz XNDJCWWVUCPLMC-QFIPXVFZSA-N 1 2 380.267 3.411 10 0 GGAELO Cc1cc(C)c(NC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)c(Br)c1 ZINC000270744664 565227486 /nfs/dbraw/zinc/22/74/86/565227486.db2.gz IAZGDFZOBCVCJM-OAHLLOKOSA-N 1 2 396.329 3.394 10 0 GGAELO C[C@@]1(C(N)=O)CCCC[N@@H+]1Cc1ncc(-c2ccccc2Br)o1 ZINC000185924649 565228179 /nfs/dbraw/zinc/22/81/79/565228179.db2.gz WLNXPKXIOSHAAQ-KRWDZBQOSA-N 1 2 378.270 3.334 10 0 GGAELO C[C@@]1(C(N)=O)CCCC[N@H+]1Cc1ncc(-c2ccccc2Br)o1 ZINC000185924649 565228183 /nfs/dbraw/zinc/22/81/83/565228183.db2.gz WLNXPKXIOSHAAQ-KRWDZBQOSA-N 1 2 378.270 3.334 10 0 GGAELO C[C@@]1(C(N)=O)CCCC[N@@H+]1CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000185926211 565228631 /nfs/dbraw/zinc/22/86/31/565228631.db2.gz LZYJPBROEMKBJF-HNNXBMFYSA-N 1 2 377.794 3.027 10 0 GGAELO C[C@@]1(C(N)=O)CCCC[N@H+]1CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000185926211 565228635 /nfs/dbraw/zinc/22/86/35/565228635.db2.gz LZYJPBROEMKBJF-HNNXBMFYSA-N 1 2 377.794 3.027 10 0 GGAELO C[C@]1(C(N)=O)CCCC[N@@H+]1Cc1ncc(-c2ccccc2Br)o1 ZINC000185924629 565229050 /nfs/dbraw/zinc/22/90/50/565229050.db2.gz WLNXPKXIOSHAAQ-QGZVFWFLSA-N 1 2 378.270 3.334 10 0 GGAELO C[C@]1(C(N)=O)CCCC[N@H+]1Cc1ncc(-c2ccccc2Br)o1 ZINC000185924629 565229051 /nfs/dbraw/zinc/22/90/51/565229051.db2.gz WLNXPKXIOSHAAQ-QGZVFWFLSA-N 1 2 378.270 3.334 10 0 GGAELO O=C(c1ccc(I)cc1F)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000294817922 565230987 /nfs/dbraw/zinc/23/09/87/565230987.db2.gz VYVJVICZNPBQEW-UHFFFAOYSA-N 1 2 399.207 3.173 10 0 GGAELO C[N@@H+](Cc1cccc(S(C)(=O)=O)c1)C[C@H](O)c1ccccc1Br ZINC000294862270 565232089 /nfs/dbraw/zinc/23/20/89/565232089.db2.gz OLKGDHQITOATOM-KRWDZBQOSA-N 1 2 398.322 3.018 10 0 GGAELO C[N@H+](Cc1cccc(S(C)(=O)=O)c1)C[C@H](O)c1ccccc1Br ZINC000294862270 565232095 /nfs/dbraw/zinc/23/20/95/565232095.db2.gz OLKGDHQITOATOM-KRWDZBQOSA-N 1 2 398.322 3.018 10 0 GGAELO CCOc1ccc(NC(=O)N2CCn3cc(C)[nH+]c3C2)cc1Br ZINC000372387733 565235518 /nfs/dbraw/zinc/23/55/18/565235518.db2.gz SYNWRLPBSGNBSO-UHFFFAOYSA-N 1 2 379.258 3.400 10 0 GGAELO Cn1cc[nH+]c1CNC(=O)NCc1ccc(Br)cc1C(F)(F)F ZINC000271057837 565237635 /nfs/dbraw/zinc/23/76/35/565237635.db2.gz UMOPXVLFGZRLLJ-UHFFFAOYSA-N 1 2 391.191 3.201 10 0 GGAELO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N(C)Cc1cc(Br)cn1C)C2 ZINC000372444876 565238820 /nfs/dbraw/zinc/23/88/20/565238820.db2.gz CHZMVWUUQYZCIJ-LBPRGKRZSA-N 1 2 393.329 3.398 10 0 GGAELO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N(C)Cc1cc(Br)cn1C)CC2 ZINC000372444876 565238825 /nfs/dbraw/zinc/23/88/25/565238825.db2.gz CHZMVWUUQYZCIJ-LBPRGKRZSA-N 1 2 393.329 3.398 10 0 GGAELO NC(=O)c1cccc(C[NH2+][C@H](c2ccc(Br)cc2)c2cncnc2)c1 ZINC000186095225 565240019 /nfs/dbraw/zinc/24/00/19/565240019.db2.gz YLZHYEZOJNDHAF-GOSISDBHSA-N 1 2 397.276 3.217 10 0 GGAELO O=C([C@H](c1ccc(Br)cc1)[NH+]1CCCC1)N1CCCn2nccc21 ZINC000271325120 565248758 /nfs/dbraw/zinc/24/87/58/565248758.db2.gz ZOPDSNLQMVESCA-KRWDZBQOSA-N 1 2 389.297 3.219 10 0 GGAELO Cc1c([C@H](C)[NH2+][C@H](C)c2cn[nH]c2)nnn1-c1cccc(Br)c1 ZINC000271478466 565255159 /nfs/dbraw/zinc/25/51/59/565255159.db2.gz JJIOKSWTGMPZLZ-MNOVXSKESA-N 1 2 375.274 3.473 10 0 GGAELO O=C(NCc1cc(Br)cs1)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186363981 565257374 /nfs/dbraw/zinc/25/73/74/565257374.db2.gz FEBQCKYNOMRMIF-UHFFFAOYSA-N 1 2 395.326 3.328 10 0 GGAELO O=C(NCc1sccc1Br)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186380111 565258674 /nfs/dbraw/zinc/25/86/74/565258674.db2.gz GCAHUSRKWGMXLC-UHFFFAOYSA-N 1 2 395.326 3.328 10 0 GGAELO C[C@@H]([NH2+][C@H]1CCOc2c(Br)cccc21)c1nc(N)nc(Cl)n1 ZINC000295443160 565267075 /nfs/dbraw/zinc/26/70/75/565267075.db2.gz VULMPHYJDBVJKL-XCBNKYQSSA-N 1 2 384.665 3.044 10 0 GGAELO Brc1ccc2[nH]c(C[NH+]3CCC(Oc4cnccn4)CC3)nc2c1 ZINC000373279276 565277866 /nfs/dbraw/zinc/27/78/66/565277866.db2.gz SBAWTZHIRBUGBS-UHFFFAOYSA-N 1 2 388.269 3.159 10 0 GGAELO COc1cc(Br)ccc1CNC(=O)NCc1[nH+]ccn1CC(C)C ZINC000186830501 565288921 /nfs/dbraw/zinc/28/89/21/565288921.db2.gz CYMJJFIOSNNMRR-UHFFFAOYSA-N 1 2 395.301 3.310 10 0 GGAELO Cn1c[nH+]cc1CCC(=O)N1CCCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000373510404 565290246 /nfs/dbraw/zinc/29/02/46/565290246.db2.gz UEXFDQBNHPWGOC-UHFFFAOYSA-N 1 2 381.307 3.398 10 0 GGAELO CCn1ccnc1CNC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000295880313 565291739 /nfs/dbraw/zinc/29/17/39/565291739.db2.gz YMFAVGUFCZWADK-KRWDZBQOSA-N 1 2 391.313 3.119 10 0 GGAELO CCn1ccnc1CNC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000295880316 565291924 /nfs/dbraw/zinc/29/19/24/565291924.db2.gz 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GGAELO COc1ccc([C@H](C)Nc2[nH+]cnc3c2c(Br)nn3C)cc1F ZINC000301174566 565469844 /nfs/dbraw/zinc/46/98/44/565469844.db2.gz KYIQWHLVRZDFKF-QMMMGPOBSA-N 1 2 380.221 3.447 10 0 GGAELO C[C@H](CNC(=O)Nc1cccnc1-c1ccc(Cl)s1)[NH+]1CCOCC1 ZINC000189523999 565471746 /nfs/dbraw/zinc/47/17/46/565471746.db2.gz CZVMIEYNEWCRJS-GFCCVEGCSA-N 1 2 380.901 3.306 10 0 GGAELO COc1cccc(CS(=O)(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)c1 ZINC000172196721 565472048 /nfs/dbraw/zinc/47/20/48/565472048.db2.gz GWKQTNLCEJPMFV-SFHVURJKSA-N 1 2 382.913 3.071 10 0 GGAELO Cc1ccc(I)c(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c1 ZINC000377272814 565472500 /nfs/dbraw/zinc/47/25/00/565472500.db2.gz HLLUOYJOWLEVNG-UHFFFAOYSA-N 1 2 395.244 3.343 10 0 GGAELO Cc1ccc(I)c(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000377272814 565472505 /nfs/dbraw/zinc/47/25/05/565472505.db2.gz HLLUOYJOWLEVNG-UHFFFAOYSA-N 1 2 395.244 3.343 10 0 GGAELO O=C([C@@H](c1ccc(Br)cc1)[NH+]1CCCC1)N1CC([C@H]2CCOC2)C1 ZINC000377409618 565478315 /nfs/dbraw/zinc/47/83/15/565478315.db2.gz BUGSGJHBRSTPDG-MAUKXSAKSA-N 1 2 393.325 3.081 10 0 GGAELO CN(C)c1[nH+]cccc1NC(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000172395556 565483412 /nfs/dbraw/zinc/48/34/12/565483412.db2.gz UIOUHURLBHOLCC-UHFFFAOYSA-N 1 2 387.237 3.004 10 0 GGAELO CN(C)c1[nH+]cccc1CNC(=O)N1CCc2cccc(Br)c2C1 ZINC000172427268 565484623 /nfs/dbraw/zinc/48/46/23/565484623.db2.gz UNBQZYIRTKNCEH-UHFFFAOYSA-N 1 2 389.297 3.178 10 0 GGAELO Cc1cc(=O)n2nc(C[NH2+][C@H](C)c3ccccc3Br)sc2n1 ZINC000172461508 565486897 /nfs/dbraw/zinc/48/68/97/565486897.db2.gz HNQXWOXUNAGKML-SNVBAGLBSA-N 1 2 379.283 3.073 10 0 GGAELO Cc1nc([C@H]2CCC[N@@H+]2CCCOc2ccc(S(C)(=O)=O)cc2)cs1 ZINC000189774765 565487546 /nfs/dbraw/zinc/48/75/46/565487546.db2.gz ZUMLIPWYFIEJGL-GOSISDBHSA-N 1 2 380.535 3.461 10 0 GGAELO Cc1nc([C@H]2CCC[N@H+]2CCCOc2ccc(S(C)(=O)=O)cc2)cs1 ZINC000189774765 565487550 /nfs/dbraw/zinc/48/75/50/565487550.db2.gz ZUMLIPWYFIEJGL-GOSISDBHSA-N 1 2 380.535 3.461 10 0 GGAELO Cc1nc([C@H]2CCC[N@@H+]2CC(=O)NCCOc2ccc(Cl)cc2)cs1 ZINC000189813533 565489383 /nfs/dbraw/zinc/48/93/83/565489383.db2.gz FIXQIHQADYUMHD-QGZVFWFLSA-N 1 2 379.913 3.437 10 0 GGAELO Cc1nc([C@H]2CCC[N@H+]2CC(=O)NCCOc2ccc(Cl)cc2)cs1 ZINC000189813533 565489386 /nfs/dbraw/zinc/48/93/86/565489386.db2.gz FIXQIHQADYUMHD-QGZVFWFLSA-N 1 2 379.913 3.437 10 0 GGAELO C[C@H](C(=O)Nc1ncccn1)[NH+]1CCC(c2ccccc2Br)CC1 ZINC000189806219 565489791 /nfs/dbraw/zinc/48/97/91/565489791.db2.gz CRSSMHOJDYOMJM-CYBMUJFWSA-N 1 2 389.297 3.446 10 0 GGAELO O=C(N1CCN(c2cccc[nH+]2)CC1)C1(c2ccccc2Br)CC1 ZINC000189891550 565495759 /nfs/dbraw/zinc/49/57/59/565495759.db2.gz FSGVPAUJCOMABZ-UHFFFAOYSA-N 1 2 386.293 3.225 10 0 GGAELO Cn1nc(Br)c2c1nc[nH+]c2NCc1cc(Cl)c(Cl)n1C ZINC000301621207 565499480 /nfs/dbraw/zinc/49/94/80/565499480.db2.gz FFTRUAXULKZZMJ-UHFFFAOYSA-N 1 2 390.072 3.383 10 0 GGAELO Cc1c2cc(Br)ccc2oc1C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172751279 565502335 /nfs/dbraw/zinc/50/23/35/565502335.db2.gz PDSNJRFIYCFRCX-CQSZACIVSA-N 1 2 393.281 3.050 10 0 GGAELO O=C(c1csc(-c2ccc(Cl)cc2)n1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172757488 565502913 /nfs/dbraw/zinc/50/29/13/565502913.db2.gz DNOLJXNUPAZZNH-HNNXBMFYSA-N 1 2 377.897 3.010 10 0 GGAELO C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172763786 565503549 /nfs/dbraw/zinc/50/35/49/565503549.db2.gz CYUHPQHLOXIMAA-JSGCOSHPSA-N 1 2 389.348 3.407 10 0 GGAELO C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172763793 565503716 /nfs/dbraw/zinc/50/37/16/565503716.db2.gz CYUHPQHLOXIMAA-OCCSQVGLSA-N 1 2 389.348 3.407 10 0 GGAELO Cc1cc(Br)c2c(c1)CN(C(=O)N[C@@H]1CCc3[nH+]c[nH]c3C1)CC2 ZINC000378044386 565510281 /nfs/dbraw/zinc/51/02/81/565510281.db2.gz ANUAPFUZZRIHBC-CYBMUJFWSA-N 1 2 389.297 3.106 10 0 GGAELO Cc1cc(Br)c2c(c1)CN(C(=O)N[C@@H]1CCc3[nH]c[nH+]c3C1)CC2 ZINC000378044386 565510282 /nfs/dbraw/zinc/51/02/82/565510282.db2.gz ANUAPFUZZRIHBC-CYBMUJFWSA-N 1 2 389.297 3.106 10 0 GGAELO O=C(NCCCc1ccc(Br)cc1F)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000378088847 565511650 /nfs/dbraw/zinc/51/16/50/565511650.db2.gz CQWMMHYIOJTXGR-ZDUSSCGKSA-N 1 2 395.276 3.101 10 0 GGAELO O=C(NCCCc1ccc(Br)cc1F)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000378088847 565511653 /nfs/dbraw/zinc/51/16/53/565511653.db2.gz CQWMMHYIOJTXGR-ZDUSSCGKSA-N 1 2 395.276 3.101 10 0 GGAELO O=C(NCCCc1ccc(Br)cc1F)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000378088844 565511954 /nfs/dbraw/zinc/51/19/54/565511954.db2.gz CQWMMHYIOJTXGR-CYBMUJFWSA-N 1 2 395.276 3.101 10 0 GGAELO O=C(NCCCc1ccc(Br)cc1F)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000378088844 565511960 /nfs/dbraw/zinc/51/19/60/565511960.db2.gz CQWMMHYIOJTXGR-CYBMUJFWSA-N 1 2 395.276 3.101 10 0 GGAELO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)NC1(c2ccc(Br)cc2)CC1 ZINC000378113377 565512836 /nfs/dbraw/zinc/51/28/36/565512836.db2.gz PNTMPEFJYWLTHN-CYBMUJFWSA-N 1 2 375.270 3.018 10 0 GGAELO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)NC1(c2ccc(Br)cc2)CC1 ZINC000378113377 565512839 /nfs/dbraw/zinc/51/28/39/565512839.db2.gz PNTMPEFJYWLTHN-CYBMUJFWSA-N 1 2 375.270 3.018 10 0 GGAELO O=C(NCC1(c2cccc(Br)c2)CC1)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000378125037 565512898 /nfs/dbraw/zinc/51/28/98/565512898.db2.gz BMOBVLKFYUBSSQ-CQSZACIVSA-N 1 2 389.297 3.061 10 0 GGAELO O=C(NCC1(c2cccc(Br)c2)CC1)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000378125037 565512902 /nfs/dbraw/zinc/51/29/02/565512902.db2.gz BMOBVLKFYUBSSQ-CQSZACIVSA-N 1 2 389.297 3.061 10 0 GGAELO O=C1[C@H]([N@@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)CCN1c1ccc(Cl)cc1 ZINC000277662797 565513654 /nfs/dbraw/zinc/51/36/54/565513654.db2.gz FBCRFYDXJJMEPS-NILFDRSVSA-N 1 2 376.806 3.081 10 0 GGAELO O=C1[C@H]([N@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)CCN1c1ccc(Cl)cc1 ZINC000277662797 565513658 /nfs/dbraw/zinc/51/36/58/565513658.db2.gz FBCRFYDXJJMEPS-NILFDRSVSA-N 1 2 376.806 3.081 10 0 GGAELO Cc1cc(N2C[C@@H]3OCC[N@H+](Cc4ccccc4)[C@H]3C2)ncc1Br ZINC000301847887 565514222 /nfs/dbraw/zinc/51/42/22/565514222.db2.gz VESHIZDQYLREMO-ROUUACIJSA-N 1 2 388.309 3.242 10 0 GGAELO Cc1cc(N2C[C@@H]3OCC[N@@H+](Cc4ccccc4)[C@H]3C2)ncc1Br ZINC000301847887 565514229 /nfs/dbraw/zinc/51/42/29/565514229.db2.gz VESHIZDQYLREMO-ROUUACIJSA-N 1 2 388.309 3.242 10 0 GGAELO CC[N@H+](CCOc1ccc(Br)cc1)Cc1nnc(C2CC2)n1C ZINC000172941725 565514867 /nfs/dbraw/zinc/51/48/67/565514867.db2.gz AEWOKLWSPMHZBZ-UHFFFAOYSA-N 1 2 379.302 3.356 10 0 GGAELO CC[N@@H+](CCOc1ccc(Br)cc1)Cc1nnc(C2CC2)n1C ZINC000172941725 565514868 /nfs/dbraw/zinc/51/48/68/565514868.db2.gz AEWOKLWSPMHZBZ-UHFFFAOYSA-N 1 2 379.302 3.356 10 0 GGAELO O=C1[C@H]([N@@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)CCN1c1cccc(Cl)c1 ZINC000277729634 565516151 /nfs/dbraw/zinc/51/61/51/565516151.db2.gz JYALJTRZWMNGPE-KCPJHIHWSA-N 1 2 376.806 3.081 10 0 GGAELO O=C1[C@H]([N@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)CCN1c1cccc(Cl)c1 ZINC000277729634 565516153 /nfs/dbraw/zinc/51/61/53/565516153.db2.gz JYALJTRZWMNGPE-KCPJHIHWSA-N 1 2 376.806 3.081 10 0 GGAELO O=C(NCc1cccnc1-n1cc[nH+]c1)C1(c2ccccc2Br)CC1 ZINC000190213536 565516762 /nfs/dbraw/zinc/51/67/62/565516762.db2.gz PIQDPLGVMKJAMB-UHFFFAOYSA-N 1 2 397.276 3.378 10 0 GGAELO CCc1cnc(CCNC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)s1 ZINC000173036367 565521320 /nfs/dbraw/zinc/52/13/20/565521320.db2.gz LEGGFLSLQXYLOA-GOSISDBHSA-N 1 2 375.563 3.154 10 0 GGAELO CCS(=O)(=O)CCCCC[NH+]1CCN(Cc2ccc(F)cc2Cl)CC1 ZINC000190323005 565521936 /nfs/dbraw/zinc/52/19/36/565521936.db2.gz MMXHQFLOAVTAKI-UHFFFAOYSA-N 1 2 390.952 3.202 10 0 GGAELO Cc1ccc(Br)cc1C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000173101898 565527255 /nfs/dbraw/zinc/52/72/55/565527255.db2.gz DWGUMFNDIISCKA-INIZCTEOSA-N 1 2 381.314 3.084 10 0 GGAELO C[C@@H]1C[NH+]=C(N2CCN(c3nnc(-c4ccccc4Cl)s3)CC2)S1 ZINC000302124227 565531960 /nfs/dbraw/zinc/53/19/60/565531960.db2.gz VPVJAZWJHMRRLN-LLVKDONJSA-N 1 2 379.942 3.472 10 0 GGAELO COc1cc(Br)ccc1[C@@H](C)[NH2+]Cc1cc(=O)n2ccsc2n1 ZINC000190447776 565533114 /nfs/dbraw/zinc/53/31/14/565533114.db2.gz SCAILFHIWWDUHI-SNVBAGLBSA-N 1 2 394.294 3.378 10 0 GGAELO Cn1cc([C@@H]2CC[N@@H+]([C@@H]3CCN(c4ccc(Cl)cc4Cl)C3=O)C2)cn1 ZINC000190572790 565542692 /nfs/dbraw/zinc/54/26/92/565542692.db2.gz WIZFYKKEVOXPTB-SJKOYZFVSA-N 1 2 379.291 3.322 10 0 GGAELO Cn1cc([C@@H]2CC[N@H+]([C@@H]3CCN(c4ccc(Cl)cc4Cl)C3=O)C2)cn1 ZINC000190572790 565542693 /nfs/dbraw/zinc/54/26/93/565542693.db2.gz WIZFYKKEVOXPTB-SJKOYZFVSA-N 1 2 379.291 3.322 10 0 GGAELO CC[C@@H](C)[NH+]1CCN(S(=O)(=O)c2c(Cl)cccc2Br)CC1 ZINC000385672791 565545238 /nfs/dbraw/zinc/54/52/38/565545238.db2.gz BFDMIBNDOIKQLE-LLVKDONJSA-N 1 2 395.750 3.207 10 0 GGAELO CCc1nnc(C2CC[NH+](Cc3ccc(I)cc3)CC2)[nH]1 ZINC000190648169 565549430 /nfs/dbraw/zinc/54/94/30/565549430.db2.gz OCGQOIOCQBJEBJ-UHFFFAOYSA-N 1 2 396.276 3.351 10 0 GGAELO CCc1n[nH]c(C2CC[NH+](Cc3ccc(I)cc3)CC2)n1 ZINC000190648169 565549435 /nfs/dbraw/zinc/54/94/35/565549435.db2.gz OCGQOIOCQBJEBJ-UHFFFAOYSA-N 1 2 396.276 3.351 10 0 GGAELO CCc1nc(C2CC[NH+](Cc3ccc(I)cc3)CC2)n[nH]1 ZINC000190648169 565549438 /nfs/dbraw/zinc/54/94/38/565549438.db2.gz OCGQOIOCQBJEBJ-UHFFFAOYSA-N 1 2 396.276 3.351 10 0 GGAELO CC[N@@H+](CC(=O)Nc1cc(O)c(Br)cc1Br)C1CC1 ZINC000278505510 565563290 /nfs/dbraw/zinc/56/32/90/565563290.db2.gz AHNIIRDELXVPPK-UHFFFAOYSA-N 1 2 392.091 3.340 10 0 GGAELO CCc1nnc(C2CC[NH+](CCOc3ccccc3Br)CC2)[nH]1 ZINC000190699191 565552667 /nfs/dbraw/zinc/55/26/67/565552667.db2.gz VWFXXVRXJHMEAU-UHFFFAOYSA-N 1 2 379.302 3.388 10 0 GGAELO CCc1n[nH]c(C2CC[NH+](CCOc3ccccc3Br)CC2)n1 ZINC000190699191 565552669 /nfs/dbraw/zinc/55/26/69/565552669.db2.gz VWFXXVRXJHMEAU-UHFFFAOYSA-N 1 2 379.302 3.388 10 0 GGAELO CCc1nc(C2CC[NH+](CCOc3ccccc3Br)CC2)n[nH]1 ZINC000190699191 565552675 /nfs/dbraw/zinc/55/26/75/565552675.db2.gz VWFXXVRXJHMEAU-UHFFFAOYSA-N 1 2 379.302 3.388 10 0 GGAELO C[C@@H]1CN(C(=O)c2[nH]c3ccc(Cl)cc3c2Cl)C[C@@H]1[NH+]1CCOCC1 ZINC000173396915 565555185 /nfs/dbraw/zinc/55/51/85/565555185.db2.gz QXXBSZYFYFMNEB-ABAIWWIYSA-N 1 2 382.291 3.267 10 0 GGAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2cc(Cl)ccc2Cl)nc[nH+]1 ZINC000173413451 565556227 /nfs/dbraw/zinc/55/62/27/565556227.db2.gz NMXWYSGICPRNHR-GFCCVEGCSA-N 1 2 380.279 3.224 10 0 GGAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2cc(Cl)ccc2Cl)[nH+]cn1 ZINC000173413451 565556229 /nfs/dbraw/zinc/55/62/29/565556229.db2.gz NMXWYSGICPRNHR-GFCCVEGCSA-N 1 2 380.279 3.224 10 0 GGAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2cc(Cl)sc2Cl)nc[nH+]1 ZINC000173435244 565557380 /nfs/dbraw/zinc/55/73/80/565557380.db2.gz UOYQLRRBZOEQMO-VIFPVBQESA-N 1 2 386.308 3.285 10 0 GGAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2cc(Cl)sc2Cl)[nH+]cn1 ZINC000173435244 565557384 /nfs/dbraw/zinc/55/73/84/565557384.db2.gz UOYQLRRBZOEQMO-VIFPVBQESA-N 1 2 386.308 3.285 10 0 GGAELO CC(C)Cn1cc[nH+]c1CNC(=O)NCCc1ccc(F)c(Br)c1 ZINC000173442709 565557592 /nfs/dbraw/zinc/55/75/92/565557592.db2.gz BMNYQXXJSZSNHB-UHFFFAOYSA-N 1 2 397.292 3.483 10 0 GGAELO C[C@@H]1COCC[C@H]1NC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000278431447 565559030 /nfs/dbraw/zinc/55/90/30/565559030.db2.gz GXIHOZBILYFQMV-KBRIMQKVSA-N 1 2 381.314 3.127 10 0 GGAELO O=C(NC1CCN(c2cccc[nH+]2)CC1)c1cccc(F)c1Br ZINC000391512788 565561904 /nfs/dbraw/zinc/56/19/04/565561904.db2.gz MOMAXAJEGITFBR-UHFFFAOYSA-N 1 2 378.245 3.382 10 0 GGAELO COc1cc(Br)ccc1CNc1cc(N2CCSCC2)nc[nH+]1 ZINC000302857374 565562086 /nfs/dbraw/zinc/56/20/86/565562086.db2.gz SKIZBNNHURJPQO-UHFFFAOYSA-N 1 2 395.326 3.413 10 0 GGAELO COc1cc(Br)ccc1CNc1cc(N2CCSCC2)[nH+]cn1 ZINC000302857374 565562088 /nfs/dbraw/zinc/56/20/88/565562088.db2.gz SKIZBNNHURJPQO-UHFFFAOYSA-N 1 2 395.326 3.413 10 0 GGAELO Cn1ncc(Br)c1C[NH2+]C1(c2ccc(F)cc2F)CCOCC1 ZINC000278491463 565562276 /nfs/dbraw/zinc/56/22/76/565562276.db2.gz MCMZFBZFDXAQAM-UHFFFAOYSA-N 1 2 386.240 3.256 10 0 GGAELO CC[C@@H](Nc1nc2c(cnn2C)c(N)[nH+]1)c1cc(F)cc(Br)c1 ZINC000302900381 565563197 /nfs/dbraw/zinc/56/31/97/565563197.db2.gz SMNDRSDPWKBSAV-GFCCVEGCSA-N 1 2 379.237 3.410 10 0 GGAELO CC[N@H+](CC(=O)Nc1cc(O)c(Br)cc1Br)C1CC1 ZINC000278505510 565563285 /nfs/dbraw/zinc/56/32/85/565563285.db2.gz AHNIIRDELXVPPK-UHFFFAOYSA-N 1 2 392.091 3.340 10 0 GGAELO CC[C@@H](Cc1ccccc1Br)N(C)c1nc2c(cnn2C)c(N)[nH+]1 ZINC000302887814 565563323 /nfs/dbraw/zinc/56/33/23/565563323.db2.gz OAXSYNSHMFFFBT-LBPRGKRZSA-N 1 2 389.301 3.166 10 0 GGAELO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc(Br)c(C)c1 ZINC000303580923 565571236 /nfs/dbraw/zinc/57/12/36/565571236.db2.gz MPGFIAGDOGANBE-MRXNPFEDSA-N 1 2 396.329 3.029 10 0 GGAELO CCN(CC)C(=O)[C@H]1CCC[N@H+]1CC(=O)Nc1ccc(Br)c(C)c1 ZINC000303580923 565571240 /nfs/dbraw/zinc/57/12/40/565571240.db2.gz MPGFIAGDOGANBE-MRXNPFEDSA-N 1 2 396.329 3.029 10 0 GGAELO Cc1csc(C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)c1Br ZINC000190955882 565572750 /nfs/dbraw/zinc/57/27/50/565572750.db2.gz DBSFTQBNOJDFEX-ZDUSSCGKSA-N 1 2 387.343 3.146 10 0 GGAELO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]Cc2ncc(C(F)(F)F)s2)cc1 ZINC000278713499 565574383 /nfs/dbraw/zinc/57/43/83/565574383.db2.gz SCFFWGGLNFHECC-NSHDSACASA-N 1 2 378.441 3.422 10 0 GGAELO Cc1ncc(C[NH+]2CCN(CC(=O)Nc3sc(C)c(C)c3C)CC2)s1 ZINC000173673223 565576023 /nfs/dbraw/zinc/57/60/23/565576023.db2.gz 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C[C@@H](O)CNc1cc(N2CCC[C@@H]2c2ccc(Br)cc2)[nH+]cn1 ZINC000413173466 565839038 /nfs/dbraw/zinc/83/90/38/565839038.db2.gz PECQYBXADQSRQG-IUODEOHRSA-N 1 2 377.286 3.373 10 0 GGAELO C[C@H](NC(=O)C[N@@H+]1CC[C@](O)(C(F)(F)F)C1)c1ccc(Cl)c(Cl)c1 ZINC000177270543 565839242 /nfs/dbraw/zinc/83/92/42/565839242.db2.gz LQBUIOWILVTPMU-LKFCYVNXSA-N 1 2 385.213 3.170 10 0 GGAELO C[C@H](NC(=O)C[N@H+]1CC[C@](O)(C(F)(F)F)C1)c1ccc(Cl)c(Cl)c1 ZINC000177270543 565839246 /nfs/dbraw/zinc/83/92/46/565839246.db2.gz LQBUIOWILVTPMU-LKFCYVNXSA-N 1 2 385.213 3.170 10 0 GGAELO Brc1ccc2c(cc[nH+]c2NCCc2cn3c(n2)SCC3)c1 ZINC000413223035 565840970 /nfs/dbraw/zinc/84/09/70/565840970.db2.gz BPJQVFPWFVGHMP-UHFFFAOYSA-N 1 2 375.295 3.376 10 0 GGAELO COc1cc(Br)ccc1[C@H](C)Nc1cc(NC[C@H](C)O)[nH+]cn1 ZINC000413257293 565841778 /nfs/dbraw/zinc/84/17/78/565841778.db2.gz NRDBPECMNSCRLE-QWRGUYRKSA-N 1 2 381.274 3.214 10 0 GGAELO COc1cc(Br)ccc1[C@H](C)Nc1cc(NC[C@H](C)O)nc[nH+]1 ZINC000413257293 565841783 /nfs/dbraw/zinc/84/17/83/565841783.db2.gz NRDBPECMNSCRLE-QWRGUYRKSA-N 1 2 381.274 3.214 10 0 GGAELO CCOC(=O)[C@@H]1CN(c2[nH+]ccc3cc(Br)ccc32)CC12COC2 ZINC000413330536 565847098 /nfs/dbraw/zinc/84/70/98/565847098.db2.gz PALHNGAGCPZSQD-HNNXBMFYSA-N 1 2 391.265 3.013 10 0 GGAELO O=C(NCc1cc(F)cc(Br)c1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177435436 565849981 /nfs/dbraw/zinc/84/99/81/565849981.db2.gz QDHJKECUPBRRGD-OAHLLOKOSA-N 1 2 381.249 3.159 10 0 GGAELO O=C(/C=C/c1ccccc1Br)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000194988637 565852008 /nfs/dbraw/zinc/85/20/08/565852008.db2.gz KHVGVVZPLBICOV-AATRIKPKSA-N 1 2 383.249 3.359 10 0 GGAELO CSC1(CNC(=O)NC[C@@H](c2cccs2)[N@@H+]2CCO[C@H](C)C2)CCC1 ZINC000195009864 565853625 /nfs/dbraw/zinc/85/36/25/565853625.db2.gz KHVQCVDYANVRFK-CABCVRRESA-N 1 2 383.583 3.095 10 0 GGAELO CSC1(CNC(=O)NC[C@@H](c2cccs2)[N@H+]2CCO[C@H](C)C2)CCC1 ZINC000195009864 565853629 /nfs/dbraw/zinc/85/36/29/565853629.db2.gz KHVQCVDYANVRFK-CABCVRRESA-N 1 2 383.583 3.095 10 0 GGAELO Cc1cn2c([nH+]1)[C@@H](CNC(=O)[C@@H]1COc3ccc(Br)cc31)CCC2 ZINC000332754425 565854521 /nfs/dbraw/zinc/85/45/21/565854521.db2.gz KBXSTIMILBXHLA-IUODEOHRSA-N 1 2 390.281 3.124 10 0 GGAELO COc1cc(C[NH2+]C2(c3noc(C)n3)CCCC2)cc(Br)c1O ZINC000177556972 565859792 /nfs/dbraw/zinc/85/97/92/565859792.db2.gz ILENYILYCDOUPE-UHFFFAOYSA-N 1 2 382.258 3.414 10 0 GGAELO CC1(C)C[C@@H]1NC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000413670615 565867012 /nfs/dbraw/zinc/86/70/12/565867012.db2.gz NWAGSBPWFCVWGB-ZDUSSCGKSA-N 1 2 381.274 3.249 10 0 GGAELO CN(c1cccnn1)C1CC[NH+](Cc2ccc(Br)c(F)c2)CC1 ZINC000177708964 565869393 /nfs/dbraw/zinc/86/93/93/565869393.db2.gz KDEPMPLLMWHXOT-UHFFFAOYSA-N 1 2 379.277 3.479 10 0 GGAELO Cc1cc(Br)cn2cc(CNS(=O)(=O)[C@H]3C[C@@H]4CC[C@H]3C4)[nH+]c12 ZINC000333183318 565870584 /nfs/dbraw/zinc/87/05/84/565870584.db2.gz QFUNBBVVNIHJHP-XUJVJEKNSA-N 1 2 398.326 3.013 10 0 GGAELO O=C(NCc1ccn2cc[nH+]c2c1)N1CCc2cccc(Br)c2C1 ZINC000177756636 565871989 /nfs/dbraw/zinc/87/19/89/565871989.db2.gz 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ZINC000178277370 565909432 /nfs/dbraw/zinc/90/94/32/565909432.db2.gz WGEZZXKVGLJJBL-UHFFFAOYSA-N 1 2 392.257 3.205 10 0 GGAELO CN1C(=O)N([C@H]2CCc3[nH+]c[nH]c3C2)C(=O)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000348983289 565920157 /nfs/dbraw/zinc/92/01/57/565920157.db2.gz HSOVESJJSWOXFG-BONVTDFDSA-N 1 2 379.247 3.209 10 0 GGAELO CN1C(=O)N([C@H]2CCc3[nH]c[nH+]c3C2)C(=O)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000348983289 565920159 /nfs/dbraw/zinc/92/01/59/565920159.db2.gz HSOVESJJSWOXFG-BONVTDFDSA-N 1 2 379.247 3.209 10 0 GGAELO CN1C(=O)N([C@H]2CCc3[nH+]c[nH]c3C2)C(=O)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000348983291 565920648 /nfs/dbraw/zinc/92/06/48/565920648.db2.gz HSOVESJJSWOXFG-ZUZCIYMTSA-N 1 2 379.247 3.209 10 0 GGAELO CN1C(=O)N([C@H]2CCc3[nH]c[nH+]c3C2)C(=O)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000348983291 565920654 /nfs/dbraw/zinc/92/06/54/565920654.db2.gz HSOVESJJSWOXFG-ZUZCIYMTSA-N 1 2 379.247 3.209 10 0 GGAELO CC(C)(C)OC(=O)[C@H]1CC[N@H+](Cc2nnc(-c3ccc(Br)o3)o2)C1 ZINC000178528464 565924085 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Cc1cc(C[NH2+]Cc2ccc(I)cc2Cl)nn1C ZINC000414443907 565933203 /nfs/dbraw/zinc/93/32/03/565933203.db2.gz JQWGHWNVUIBIML-UHFFFAOYSA-N 1 2 375.641 3.276 10 0 GGAELO C[C@@H](CC[NH2+]Cc1cc(Br)c(O)c(Br)c1)[S@@](C)=O ZINC000235111519 565934477 /nfs/dbraw/zinc/93/44/77/565934477.db2.gz XETULBMCQVQGJL-DCXZOGHSSA-N 1 2 399.148 3.164 10 0 GGAELO C[C@H](CC[NH2+]Cc1cc(Br)c(O)c(Br)c1)[S@@](C)=O ZINC000235426522 565937219 /nfs/dbraw/zinc/93/72/19/565937219.db2.gz XETULBMCQVQGJL-NTCNTBNZSA-N 1 2 399.148 3.164 10 0 GGAELO C[C@@H](CNS(=O)(=O)c1ccc(C(F)(F)F)cc1Cl)Cn1cc[nH+]c1 ZINC000414469744 565938824 /nfs/dbraw/zinc/93/88/24/565938824.db2.gz MQZAHZUZDSMXKX-JTQLQIEISA-N 1 2 381.807 3.170 10 0 GGAELO Cc1nn(-c2cccc(F)c2)cc1C[NH2+]Cc1nn(C)cc1Br ZINC000414472687 565940279 /nfs/dbraw/zinc/94/02/79/565940279.db2.gz UHLMGDIYXZMBJW-UHFFFAOYSA-N 1 2 378.249 3.106 10 0 GGAELO OCC1(c2ccccc2)C[NH+](Cc2cccc(I)c2)C1 ZINC000414532992 565946531 /nfs/dbraw/zinc/94/65/31/565946531.db2.gz AVVPNVCDDGYKNY-UHFFFAOYSA-N 1 2 379.241 3.037 10 0 GGAELO COc1cc(Br)c(C[NH2+]Cc2nnc(C3CC3)s2)cc1OC ZINC000414557760 565948161 /nfs/dbraw/zinc/94/81/61/565948161.db2.gz QQCBXSOUHDPQRT-UHFFFAOYSA-N 1 2 384.299 3.485 10 0 GGAELO C[C@@H](O)[C@@H]1C[N@H+](Cc2cnc(-c3ccc(Br)cc3)s2)CCO1 ZINC000414573219 565949952 /nfs/dbraw/zinc/94/99/52/565949952.db2.gz LWMSFKMUWXLDFP-ABAIWWIYSA-N 1 2 383.311 3.154 10 0 GGAELO C[C@@H](O)[C@@H]1C[N@@H+](Cc2cnc(-c3ccc(Br)cc3)s2)CCO1 ZINC000414573219 565949957 /nfs/dbraw/zinc/94/99/57/565949957.db2.gz LWMSFKMUWXLDFP-ABAIWWIYSA-N 1 2 383.311 3.154 10 0 GGAELO CC(C)[N@@H+](Cc1cn(-c2ccc(Cl)cc2Cl)nn1)C[C@@H]1CCC(=O)N1 ZINC000414572703 565950154 /nfs/dbraw/zinc/95/01/54/565950154.db2.gz LQVNOFJCKXXVCP-ZDUSSCGKSA-N 1 2 382.295 3.063 10 0 GGAELO CC(C)[N@H+](Cc1cn(-c2ccc(Cl)cc2Cl)nn1)C[C@@H]1CCC(=O)N1 ZINC000414572703 565950160 /nfs/dbraw/zinc/95/01/60/565950160.db2.gz LQVNOFJCKXXVCP-ZDUSSCGKSA-N 1 2 382.295 3.063 10 0 GGAELO CC(C)[N@@H+](Cc1cn(-c2ccc(Cl)cc2Cl)nn1)C[C@H]1CCC(=O)N1 ZINC000414572701 565950260 /nfs/dbraw/zinc/95/02/60/565950260.db2.gz LQVNOFJCKXXVCP-CYBMUJFWSA-N 1 2 382.295 3.063 10 0 GGAELO CC(C)[N@H+](Cc1cn(-c2ccc(Cl)cc2Cl)nn1)C[C@H]1CCC(=O)N1 ZINC000414572701 565950265 /nfs/dbraw/zinc/95/02/65/565950265.db2.gz LQVNOFJCKXXVCP-CYBMUJFWSA-N 1 2 382.295 3.063 10 0 GGAELO COc1cc(-c2noc(C[C@H](C)n3cc[nH+]c3)n2)cc(Br)c1O ZINC000351503126 565955028 /nfs/dbraw/zinc/95/50/28/565955028.db2.gz IQEQFUPTIBLPBK-VIFPVBQESA-N 1 2 379.214 3.214 10 0 GGAELO COc1ccc(Sc2ccc(NC(=O)[C@@H]3COCC[NH2+]3)cc2Cl)cc1 ZINC000237472070 565960095 /nfs/dbraw/zinc/96/00/95/565960095.db2.gz GXMRZJXDLNPSNA-INIZCTEOSA-N 1 2 378.881 3.427 10 0 GGAELO Cc1cn2c([nH+]1)CN(C(=O)N[C@H](C)Cc1ccc(Br)cc1)CC2 ZINC000360680723 565960851 /nfs/dbraw/zinc/96/08/51/565960851.db2.gz MRWCBLSYHCYNIQ-GFCCVEGCSA-N 1 2 377.286 3.110 10 0 GGAELO C[C@@H]([NH2+][C@H](Cc1ccccc1)C(=O)N(C)C)c1ncc(Br)s1 ZINC000179228476 565968354 /nfs/dbraw/zinc/96/83/54/565968354.db2.gz YUZUWRYGNMVHKQ-DGCLKSJQSA-N 1 2 382.327 3.256 10 0 GGAELO C[C@](CO)([NH2+]Cc1nnc(-c2ccco2)o1)c1ccc(Br)cc1 ZINC000286713664 565975858 /nfs/dbraw/zinc/97/58/58/565975858.db2.gz WWIWXNSXAHOQSL-MRXNPFEDSA-N 1 2 378.226 3.089 10 0 GGAELO O=C(c1cncc(O)c1)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000179479835 565982873 /nfs/dbraw/zinc/98/28/73/565982873.db2.gz VBGLVJSDKDOAJK-UHFFFAOYSA-N 1 2 380.275 3.095 10 0 GGAELO O=C(CCn1cc[nH+]c1)N1CCC[C@H]1c1ccccc1I ZINC000362973628 565986332 /nfs/dbraw/zinc/98/63/32/565986332.db2.gz KNTFRMHIPZQTSX-HNNXBMFYSA-N 1 2 395.244 3.242 10 0 GGAELO Cc1cc[nH+]c(NCc2cnc(N3CCOCC3)c(F)c2)c1Br ZINC000286931444 565987244 /nfs/dbraw/zinc/98/72/44/565987244.db2.gz QRHYDIHNTCEFQI-UHFFFAOYSA-N 1 2 381.249 3.135 10 0 GGAELO CCCC(=O)N[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc(Br)cc2)C1 ZINC000245200836 565987698 /nfs/dbraw/zinc/98/76/98/565987698.db2.gz MTPWXJMESMXUIA-CJNGLKHVSA-N 1 2 396.329 3.157 10 0 GGAELO CCCC(=O)N[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc(Br)cc2)C1 ZINC000245200836 565987701 /nfs/dbraw/zinc/98/77/01/565987701.db2.gz 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CO[C@@H](C)c1nc(C[N@@H+](C)C[C@H](c2cccs2)N2CCOCC2)cs1 ZINC000245478994 565991600 /nfs/dbraw/zinc/99/16/00/565991600.db2.gz WAGMYPHKHOKKFN-GOEBONIOSA-N 1 2 381.567 3.417 10 0 GGAELO C[C@@H](N1CC[NH+](C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)CC1)C(F)(F)F ZINC000179615671 565993860 /nfs/dbraw/zinc/99/38/60/565993860.db2.gz WPNHORFHWIBMAV-DOMZBBRYSA-N 1 2 375.822 3.401 10 0 GGAELO O=C(NC1CCOCC1)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000179621333 565993938 /nfs/dbraw/zinc/99/39/38/565993938.db2.gz GFJRMQJHBPPFED-UHFFFAOYSA-N 1 2 386.323 3.042 10 0 GGAELO C[N@@H+]1CC[C@H](NS(=O)(=O)Cc2cccc(F)c2)[C@H]1c1ccc(Cl)cc1 ZINC000245634012 565998645 /nfs/dbraw/zinc/99/86/45/565998645.db2.gz UTIKHWRYGSXGKQ-ZWKOTPCHSA-N 1 2 382.888 3.344 10 0 GGAELO C[N@H+]1CC[C@H](NS(=O)(=O)Cc2cccc(F)c2)[C@H]1c1ccc(Cl)cc1 ZINC000245634012 565998649 /nfs/dbraw/zinc/99/86/49/565998649.db2.gz UTIKHWRYGSXGKQ-ZWKOTPCHSA-N 1 2 382.888 3.344 10 0 GGAELO CC(=O)N[C@H]1CCC[N@H+](Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000179691678 565999642 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GGAELO Cc1cnn(C[C@H]2C[N@@H+](C[C@H](C)c3cccc(Br)c3)CCO2)c1 ZINC000245689331 566001981 /nfs/dbraw/zinc/00/19/81/566001981.db2.gz BCEJMJFVYWXHQR-MAUKXSAKSA-N 1 2 378.314 3.459 10 0 GGAELO C[N@@H+]1CC[C@H](NC(=O)c2cncc(Br)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000245723515 566003355 /nfs/dbraw/zinc/00/33/55/566003355.db2.gz WRNOKGOBRYVGHB-JKSUJKDBSA-N 1 2 396.235 3.298 10 0 GGAELO C[N@H+]1CC[C@H](NC(=O)c2cncc(Br)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000245723515 566003361 /nfs/dbraw/zinc/00/33/61/566003361.db2.gz WRNOKGOBRYVGHB-JKSUJKDBSA-N 1 2 396.235 3.298 10 0 GGAELO CC(C)[N@@H+]1CC[C@@H](NS(=O)(=O)CCCF)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245735521 566004781 /nfs/dbraw/zinc/00/47/81/566004781.db2.gz KDVYLHIHVKDGOJ-HZPDHXFCSA-N 1 2 380.888 3.282 10 0 GGAELO CC(C)[N@H+]1CC[C@@H](NS(=O)(=O)CCCF)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245735521 566004786 /nfs/dbraw/zinc/00/47/86/566004786.db2.gz KDVYLHIHVKDGOJ-HZPDHXFCSA-N 1 2 380.888 3.282 10 0 GGAELO Cc1nnc([C@H]2C[N@@H+]([C@H]3CCCc4ccc(Br)cc43)CCO2)[nH]1 ZINC000245735149 566005299 /nfs/dbraw/zinc/00/52/99/566005299.db2.gz FOQIGJBOHZANBX-JKSUJKDBSA-N 1 2 377.286 3.327 10 0 GGAELO Cc1nnc([C@H]2C[N@H+]([C@H]3CCCc4ccc(Br)cc43)CCO2)[nH]1 ZINC000245735149 566005301 /nfs/dbraw/zinc/00/53/01/566005301.db2.gz FOQIGJBOHZANBX-JKSUJKDBSA-N 1 2 377.286 3.327 10 0 GGAELO CSCCCCNC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000245763416 566006308 /nfs/dbraw/zinc/00/63/08/566006308.db2.gz QLVABZCYAPWIEF-SJORKVTESA-N 1 2 385.961 3.154 10 0 GGAELO CSCCCCNC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000245763416 566006314 /nfs/dbraw/zinc/00/63/14/566006314.db2.gz QLVABZCYAPWIEF-SJORKVTESA-N 1 2 385.961 3.154 10 0 GGAELO COCc1nc(C)c(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)s1 ZINC000245924944 566010699 /nfs/dbraw/zinc/01/06/99/566010699.db2.gz UAPMYKTYZPZFLS-HOCLYGCPSA-N 1 2 379.913 3.427 10 0 GGAELO COCc1nc(C)c(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)s1 ZINC000245924944 566010702 /nfs/dbraw/zinc/01/07/02/566010702.db2.gz UAPMYKTYZPZFLS-HOCLYGCPSA-N 1 2 379.913 3.427 10 0 GGAELO C[C@@H]1C[N@H+](CC(=O)N2N=C(c3ccco3)C[C@@H]2c2cccs2)CCS1 ZINC000246068735 566014879 /nfs/dbraw/zinc/01/48/79/566014879.db2.gz BIJUIACGMFXVFO-UKRRQHHQSA-N 1 2 375.519 3.456 10 0 GGAELO C[C@@H]1C[N@@H+](CC(=O)N2N=C(c3ccco3)C[C@@H]2c2cccs2)CCS1 ZINC000246068735 566014884 /nfs/dbraw/zinc/01/48/84/566014884.db2.gz BIJUIACGMFXVFO-UKRRQHHQSA-N 1 2 375.519 3.456 10 0 GGAELO Cc1cn2c([nH+]1)CN(C(=O)Nc1ccc(I)cc1C)CC2 ZINC000363714374 566018371 /nfs/dbraw/zinc/01/83/71/566018371.db2.gz QBQYLMVDDZSGDI-UHFFFAOYSA-N 1 2 396.232 3.152 10 0 GGAELO C[C@@H]1C[N@@H+]([C@H](CNC(=O)N2CCSC(C)(C)C2)c2cccs2)CCO1 ZINC000246147214 566018470 /nfs/dbraw/zinc/01/84/70/566018470.db2.gz OLYPLTTYSNFYGI-HUUCEWRRSA-N 1 2 383.583 3.047 10 0 GGAELO C[C@@H]1C[N@H+]([C@H](CNC(=O)N2CCSC(C)(C)C2)c2cccs2)CCO1 ZINC000246147214 566018473 /nfs/dbraw/zinc/01/84/73/566018473.db2.gz OLYPLTTYSNFYGI-HUUCEWRRSA-N 1 2 383.583 3.047 10 0 GGAELO Cc1cc[nH+]c(C)c1NC(=O)N[C@](C)(CO)c1ccc(Br)cc1 ZINC000287460126 566019348 /nfs/dbraw/zinc/01/93/48/566019348.db2.gz ISFBGRKLDIHLKB-QGZVFWFLSA-N 1 2 378.270 3.490 10 0 GGAELO Cc1cnc(CNC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)s1 ZINC000246241891 566022815 /nfs/dbraw/zinc/02/28/15/566022815.db2.gz GGGUIYLEEZUWKD-ZBFHGGJFSA-N 1 2 382.892 3.489 10 0 GGAELO Cc1cnc(CNC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)s1 ZINC000246241891 566022820 /nfs/dbraw/zinc/02/28/20/566022820.db2.gz GGGUIYLEEZUWKD-ZBFHGGJFSA-N 1 2 382.892 3.489 10 0 GGAELO C[C@]1(C(=O)N(CCCn2cc[nH+]c2)c2ccc(Br)cn2)CCCO1 ZINC000416024540 566026510 /nfs/dbraw/zinc/02/65/10/566026510.db2.gz FBKVBFVATNWJRB-QGZVFWFLSA-N 1 2 393.285 3.033 10 0 GGAELO CC(C)[N@@H+]1CC[C@H](NS(=O)(=O)CCCF)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180097621 566032417 /nfs/dbraw/zinc/03/24/17/566032417.db2.gz KDVYLHIHVKDGOJ-HOTGVXAUSA-N 1 2 380.888 3.282 10 0 GGAELO CC(C)[N@H+]1CC[C@H](NS(=O)(=O)CCCF)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180097621 566032422 /nfs/dbraw/zinc/03/24/22/566032422.db2.gz KDVYLHIHVKDGOJ-HOTGVXAUSA-N 1 2 380.888 3.282 10 0 GGAELO C[C@@H]1C[N@@H+]([C@H](CNC(=O)NCCc2ccsc2)c2cccs2)CCO1 ZINC000246644744 566036120 /nfs/dbraw/zinc/03/61/20/566036120.db2.gz BOPNQGOKVUHWNZ-GDBMZVCRSA-N 1 2 379.551 3.113 10 0 GGAELO C[C@@H]1C[N@H+]([C@H](CNC(=O)NCCc2ccsc2)c2cccs2)CCO1 ZINC000246644744 566036124 /nfs/dbraw/zinc/03/61/24/566036124.db2.gz BOPNQGOKVUHWNZ-GDBMZVCRSA-N 1 2 379.551 3.113 10 0 GGAELO C[C@@H]1C[N@@H+]([C@H](CNC(=O)NC[C@@]2(C)CCCS2)c2cccs2)CCO1 ZINC000246693509 566036486 /nfs/dbraw/zinc/03/64/86/566036486.db2.gz RLMIPMQVNPOMTD-IIDMSEBBSA-N 1 2 383.583 3.095 10 0 GGAELO C[C@@H]1C[N@H+]([C@H](CNC(=O)NC[C@@]2(C)CCCS2)c2cccs2)CCO1 ZINC000246693509 566036490 /nfs/dbraw/zinc/03/64/90/566036490.db2.gz RLMIPMQVNPOMTD-IIDMSEBBSA-N 1 2 383.583 3.095 10 0 GGAELO COc1ccc(Br)cc1[C@@H]1CCC[N@@H+]1C[C@H](C)CS(C)(=O)=O ZINC000246683725 566037446 /nfs/dbraw/zinc/03/74/46/566037446.db2.gz XZZFRJAXWCLKSD-WFASDCNBSA-N 1 2 390.343 3.275 10 0 GGAELO COc1ccc(Br)cc1[C@@H]1CCC[N@H+]1C[C@H](C)CS(C)(=O)=O 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ZINC000483294874 566371525 /nfs/dbraw/zinc/37/15/25/566371525.db2.gz KNBNKKWKIWQFES-DYVFJYSZSA-N 1 2 382.913 3.347 10 0 GGAELO Cc1ccsc1[C@H](CO)NC(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000536434846 566373265 /nfs/dbraw/zinc/37/32/65/566373265.db2.gz RHFISNFOYPFKLP-HNNXBMFYSA-N 1 2 375.519 3.096 10 0 GGAELO O=C1CCC(=O)N1CC[N@H+]1CCC[C@@H]1c1ccc(Br)cc1Cl ZINC000626008622 566373746 /nfs/dbraw/zinc/37/37/46/566373746.db2.gz CJMWEPSDHMJMNL-CQSZACIVSA-N 1 2 385.689 3.388 10 0 GGAELO O=C1CCC(=O)N1CC[N@@H+]1CCC[C@@H]1c1ccc(Br)cc1Cl ZINC000626008622 566373752 /nfs/dbraw/zinc/37/37/52/566373752.db2.gz CJMWEPSDHMJMNL-CQSZACIVSA-N 1 2 385.689 3.388 10 0 GGAELO CCCN(CC(F)(F)F)C(=O)C[S@](=O)Cc1cn2cc(Cl)ccc2[nH+]1 ZINC000600901718 566373783 /nfs/dbraw/zinc/37/37/83/566373783.db2.gz CRYUGMPRNARMDK-RUZDIDTESA-N 1 2 395.834 3.037 10 0 GGAELO CN(C)S(=O)(=O)CC[N@@H+]1CCC[C@H]1c1ccc(Br)cc1Cl ZINC000626009205 566374906 /nfs/dbraw/zinc/37/49/06/566374906.db2.gz BDFNZAYEOMUYFQ-AWEZNQCLSA-N 1 2 395.750 3.131 10 0 GGAELO CN(C)S(=O)(=O)CC[N@H+]1CCC[C@H]1c1ccc(Br)cc1Cl ZINC000626009205 566374913 /nfs/dbraw/zinc/37/49/13/566374913.db2.gz BDFNZAYEOMUYFQ-AWEZNQCLSA-N 1 2 395.750 3.131 10 0 GGAELO C[C@H](OC[C@H](O)C[N@@H+]1CCO[C@H](C(F)(F)F)[C@@H]1C)c1ccc(Cl)cc1 ZINC000626017361 566376527 /nfs/dbraw/zinc/37/65/27/566376527.db2.gz INVYUNAYROPEPS-RKLWJJNISA-N 1 2 381.822 3.430 10 0 GGAELO C[C@H](OC[C@H](O)C[N@H+]1CCO[C@H](C(F)(F)F)[C@@H]1C)c1ccc(Cl)cc1 ZINC000626017361 566376534 /nfs/dbraw/zinc/37/65/34/566376534.db2.gz INVYUNAYROPEPS-RKLWJJNISA-N 1 2 381.822 3.430 10 0 GGAELO Cc1cn2cc(NC(=O)N[C@H](CO)c3cccc(Br)c3)ccc2[nH+]1 ZINC000483362706 566376709 /nfs/dbraw/zinc/37/67/09/566376709.db2.gz AVPSQQJFIQPJHZ-OAHLLOKOSA-N 1 2 389.253 3.260 10 0 GGAELO CN(C)c1[nH+]cccc1NC(=O)[C@H]1CCOc2ccc(Br)cc21 ZINC000649607777 566377470 /nfs/dbraw/zinc/37/74/70/566377470.db2.gz ATBLDBBYLYUADE-LBPRGKRZSA-N 1 2 376.254 3.415 10 0 GGAELO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000557350136 566379356 /nfs/dbraw/zinc/37/93/56/566379356.db2.gz OLYGTJHVOTXXQX-UHFFFAOYSA-N 1 2 377.231 3.238 10 0 GGAELO C[C@@H]1C[C@@H](c2ccc(Br)cc2)C[N@@H+]1CC(=O)Nc1nncs1 ZINC000626041400 566379927 /nfs/dbraw/zinc/37/99/27/566379927.db2.gz WMACUFIHUWHFGS-ZYHUDNBSSA-N 1 2 381.299 3.117 10 0 GGAELO C[C@@H]1C[C@@H](c2ccc(Br)cc2)C[N@H+]1CC(=O)Nc1nncs1 ZINC000626041400 566379935 /nfs/dbraw/zinc/37/99/35/566379935.db2.gz WMACUFIHUWHFGS-ZYHUDNBSSA-N 1 2 381.299 3.117 10 0 GGAELO C[C@@H](NC(=O)C(=O)Nc1ccc2[nH+]ccn2c1)c1cccc(Cl)c1Cl ZINC000557367686 566379921 /nfs/dbraw/zinc/37/99/21/566379921.db2.gz CKVVNOUEKVIMPN-SNVBAGLBSA-N 1 2 377.231 3.457 10 0 GGAELO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1Cc1nc2ccc(Br)cc2o1 ZINC000463084829 566383111 /nfs/dbraw/zinc/38/31/11/566383111.db2.gz KILFODARNCZXRK-AWEZNQCLSA-N 1 2 380.286 3.423 10 0 GGAELO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1Cc1nc2ccc(Br)cc2o1 ZINC000463084829 566383117 /nfs/dbraw/zinc/38/31/17/566383117.db2.gz KILFODARNCZXRK-AWEZNQCLSA-N 1 2 380.286 3.423 10 0 GGAELO O=C([C@H]1CC12CC2)N(CCCn1cc[nH+]c1)c1ccc(Br)cn1 ZINC000421563218 566383814 /nfs/dbraw/zinc/38/38/14/566383814.db2.gz UNVLDPJKJZGEGU-CQSZACIVSA-N 1 2 375.270 3.264 10 0 GGAELO Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(C3(O)CC3)CC2)c(Br)c1 ZINC000649674061 566383759 /nfs/dbraw/zinc/38/37/59/566383759.db2.gz FYFGKABIDIVXTI-ZDUSSCGKSA-N 1 2 381.314 3.321 10 0 GGAELO Cc1c(Cl)c(C(=O)N2CC[NH+](Cc3ccc(Cl)cc3C)CC2)nn1C ZINC000421546082 566384570 /nfs/dbraw/zinc/38/45/70/566384570.db2.gz VLGQAOCNNOCPNF-UHFFFAOYSA-N 1 2 381.307 3.302 10 0 GGAELO O=C(C[NH+]1CCC(C2(O)CC2)CC1)Nc1ccc(Br)cc1Cl ZINC000649672123 566384347 /nfs/dbraw/zinc/38/43/47/566384347.db2.gz RXNSEYZXUOCLLL-UHFFFAOYSA-N 1 2 387.705 3.278 10 0 GGAELO Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CCc3c(F)cc(Br)cc3C1)CC2 ZINC000626091453 566384811 /nfs/dbraw/zinc/38/48/11/566384811.db2.gz WVYPUSYMNQYHRB-LBPRGKRZSA-N 1 2 392.272 3.240 10 0 GGAELO C[C@@H](C[NH+]1CCOCC1)C(=O)Nc1ncc(Cc2cccc(Cl)c2)s1 ZINC000536600930 566385988 /nfs/dbraw/zinc/38/59/88/566385988.db2.gz YXGPJZYNYUVELE-ZDUSSCGKSA-N 1 2 379.913 3.294 10 0 GGAELO C[C@@H]1C[C@H](CO)CC[N@@H+]1CC(=O)Nc1ccc(Br)cc1Cl ZINC000626119275 566386341 /nfs/dbraw/zinc/38/63/41/566386341.db2.gz OLKJZLNDJXRQRI-GHMZBOCLSA-N 1 2 375.694 3.134 10 0 GGAELO C[C@@H]1C[C@H](CO)CC[N@H+]1CC(=O)Nc1ccc(Br)cc1Cl ZINC000626119275 566386348 /nfs/dbraw/zinc/38/63/48/566386348.db2.gz OLKJZLNDJXRQRI-GHMZBOCLSA-N 1 2 375.694 3.134 10 0 GGAELO CC[C@@H](C(=O)OC(C)(C)C)[NH+]1CCN(c2ccc(Br)cn2)CC1 ZINC000483540603 566389248 /nfs/dbraw/zinc/38/92/48/566389248.db2.gz DMUFFEWSTZQNPN-AWEZNQCLSA-N 1 2 384.318 3.086 10 0 GGAELO CC[N@H+](Cc1nc(Cc2cccc(Br)c2)no1)[C@@H]1CCCOC1 ZINC000649758351 566390429 /nfs/dbraw/zinc/39/04/29/566390429.db2.gz MTBNDJYPGUHKOZ-OAHLLOKOSA-N 1 2 380.286 3.424 10 0 GGAELO CC[N@@H+](Cc1nc(Cc2cccc(Br)c2)no1)[C@@H]1CCCOC1 ZINC000649758351 566390433 /nfs/dbraw/zinc/39/04/33/566390433.db2.gz MTBNDJYPGUHKOZ-OAHLLOKOSA-N 1 2 380.286 3.424 10 0 GGAELO COC[C@@]1(C)C[N@H+](Cc2ncc(-c3ccc(Br)cc3)o2)CCO1 ZINC000626173994 566392101 /nfs/dbraw/zinc/39/21/01/566392101.db2.gz HYZOLXAFAUDADH-QGZVFWFLSA-N 1 2 381.270 3.341 10 0 GGAELO COC[C@@]1(C)C[N@@H+](Cc2ncc(-c3ccc(Br)cc3)o2)CCO1 ZINC000626173994 566392105 /nfs/dbraw/zinc/39/21/05/566392105.db2.gz HYZOLXAFAUDADH-QGZVFWFLSA-N 1 2 381.270 3.341 10 0 GGAELO C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)[NH+]1CCC(Cn2cnnc2)CC1 ZINC000649786345 566392707 /nfs/dbraw/zinc/39/27/07/566392707.db2.gz JUDUOTRHARDWMG-LBPRGKRZSA-N 1 2 382.295 3.324 10 0 GGAELO CC(C)n1ncc2cc(C[NH2+][C@H](C)c3ncc(Br)cn3)cnc21 ZINC000576999130 566396297 /nfs/dbraw/zinc/39/62/97/566396297.db2.gz TTWCHNZTQABHHI-LLVKDONJSA-N 1 2 375.274 3.416 10 0 GGAELO C[C@@H](NC(=O)C[N@@H+]1C[C@@H](C)OCC12CCC2)c1ccc(Br)cc1 ZINC000649825802 566396910 /nfs/dbraw/zinc/39/69/10/566396910.db2.gz HIJUYSABLAOBIP-ZIAGYGMSSA-N 1 2 381.314 3.270 10 0 GGAELO C[C@@H](NC(=O)C[N@H+]1C[C@@H](C)OCC12CCC2)c1ccc(Br)cc1 ZINC000649825802 566396913 /nfs/dbraw/zinc/39/69/13/566396913.db2.gz HIJUYSABLAOBIP-ZIAGYGMSSA-N 1 2 381.314 3.270 10 0 GGAELO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)[C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)C1 ZINC000626269992 566397726 /nfs/dbraw/zinc/39/77/26/566397726.db2.gz KIWNANFGJBJMBT-QQDQCYIDSA-N 1 2 386.293 3.084 10 0 GGAELO Clc1ccc(OCC[N@@H+]2CCO[C@@]3(CCCOC3)C2)c(Br)c1 ZINC000510625446 566399124 /nfs/dbraw/zinc/39/91/24/566399124.db2.gz VIJWIZTVQLIUFX-INIZCTEOSA-N 1 2 390.705 3.363 10 0 GGAELO Clc1ccc(OCC[N@H+]2CCO[C@@]3(CCCOC3)C2)c(Br)c1 ZINC000510625446 566399130 /nfs/dbraw/zinc/39/91/30/566399130.db2.gz VIJWIZTVQLIUFX-INIZCTEOSA-N 1 2 390.705 3.363 10 0 GGAELO C[N@H+](CC1=Nc2ccccc2S(=O)(=O)N1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000577034986 566399582 /nfs/dbraw/zinc/39/95/82/566399582.db2.gz VLGLXUATFYTPFW-YPMHNXCESA-N 1 2 375.416 3.061 10 0 GGAELO C[N@@H+](CC1=Nc2ccccc2S(=O)(=O)N1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000577034986 566399589 /nfs/dbraw/zinc/39/95/89/566399589.db2.gz VLGLXUATFYTPFW-YPMHNXCESA-N 1 2 375.416 3.061 10 0 GGAELO Cc1cn2c([nH+]1)C[C@@H](C(=O)N(CCO)Cc1ccc(Cl)c(Cl)c1)CC2 ZINC000626328916 566402417 /nfs/dbraw/zinc/40/24/17/566402417.db2.gz LMMVCJNYIQOHPD-AWEZNQCLSA-N 1 2 382.291 3.082 10 0 GGAELO CN(C)c1noc(C[NH2+]Cc2cnc(-c3ccc(Br)cc3)s2)n1 ZINC000483816336 566402693 /nfs/dbraw/zinc/40/26/93/566402693.db2.gz DBUQBGPZWCRTPQ-UHFFFAOYSA-N 1 2 394.298 3.311 10 0 GGAELO O=C(NCc1cn2ccccc2[nH+]1)c1c(F)cccc1I ZINC000483814641 566402731 /nfs/dbraw/zinc/40/27/31/566402731.db2.gz JCOSYQPUEJYVPE-UHFFFAOYSA-N 1 2 395.175 3.008 10 0 GGAELO CC1(C)C[N@H+](Cc2cc(Br)cc3cccnc32)[C@@H]2COC[C@H]2O1 ZINC000649911825 566404879 /nfs/dbraw/zinc/40/48/79/566404879.db2.gz IRVMVUAOORBJID-HZPDHXFCSA-N 1 2 377.282 3.376 10 0 GGAELO CC1(C)C[N@@H+](Cc2cc(Br)cc3cccnc32)[C@@H]2COC[C@H]2O1 ZINC000649911825 566404886 /nfs/dbraw/zinc/40/48/86/566404886.db2.gz IRVMVUAOORBJID-HZPDHXFCSA-N 1 2 377.282 3.376 10 0 GGAELO Cc1cn2c([nH+]1)C[C@H](C(=O)NCCOCc1ccc(Cl)cc1Cl)CC2 ZINC000626371787 566405226 /nfs/dbraw/zinc/40/52/26/566405226.db2.gz DVYKBHWUUAIPKF-CYBMUJFWSA-N 1 2 382.291 3.394 10 0 GGAELO O[C@@H]1CC[N@H+](Cc2noc(Cc3ccc(Br)cc3)n2)C2(CCC2)C1 ZINC000557672350 566405781 /nfs/dbraw/zinc/40/57/81/566405781.db2.gz MESJAOMETIKLEH-OAHLLOKOSA-N 1 2 392.297 3.302 10 0 GGAELO O[C@@H]1CC[N@@H+](Cc2noc(Cc3ccc(Br)cc3)n2)C2(CCC2)C1 ZINC000557672350 566405791 /nfs/dbraw/zinc/40/57/91/566405791.db2.gz MESJAOMETIKLEH-OAHLLOKOSA-N 1 2 392.297 3.302 10 0 GGAELO Cc1cn2c([nH+]1)C[C@H](C(=O)N1CCc3cc(Br)cc(F)c3C1)CC2 ZINC000626363338 566406035 /nfs/dbraw/zinc/40/60/35/566406035.db2.gz MLEKTPORERKCEO-CYBMUJFWSA-N 1 2 392.272 3.240 10 0 GGAELO Cn1c[nH+]cc1CCNC(=O)c1c(F)ccc(C(F)(F)F)c1Br ZINC000626420516 566408415 /nfs/dbraw/zinc/40/84/15/566408415.db2.gz HVUXZJPSUTZNNU-UHFFFAOYSA-N 1 2 394.166 3.313 10 0 GGAELO Cc1nc([C@@](C)([NH2+]Cc2cc3c(c(Br)c2)OCO3)C2CC2)no1 ZINC000577169878 566410389 /nfs/dbraw/zinc/41/03/89/566410389.db2.gz GTJCZJMNTILEKH-INIZCTEOSA-N 1 2 380.242 3.284 10 0 GGAELO CCCCN(C)S(=O)(=O)N[C@@H]1CC[N@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000536901231 566410520 /nfs/dbraw/zinc/41/05/20/566410520.db2.gz ODHPLLXOVFWEBN-SJORKVTESA-N 1 2 391.940 3.181 10 0 GGAELO CCCCN(C)S(=O)(=O)N[C@@H]1CC[N@@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000536901231 566410528 /nfs/dbraw/zinc/41/05/28/566410528.db2.gz ODHPLLXOVFWEBN-SJORKVTESA-N 1 2 391.940 3.181 10 0 GGAELO Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CCc3c(Br)ccc(F)c3C1)CC2 ZINC000626449710 566411633 /nfs/dbraw/zinc/41/16/33/566411633.db2.gz ASZDHDVLUSGHKE-LBPRGKRZSA-N 1 2 392.272 3.240 10 0 GGAELO Cc1cn2c([nH+]1)C[C@H](C(=O)NCc1cc3cc(Br)ccc3[nH]1)CC2 ZINC000626478511 566414620 /nfs/dbraw/zinc/41/46/20/566414620.db2.gz KBDVBJYTGPGBES-GFCCVEGCSA-N 1 2 387.281 3.314 10 0 GGAELO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1nc2cc(Br)ccc2o1 ZINC000510810800 566415176 /nfs/dbraw/zinc/41/51/76/566415176.db2.gz KQMRVRHIOWVVRI-PKWAYOAASA-N 1 2 379.254 3.364 10 0 GGAELO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1nc2cc(Br)ccc2o1 ZINC000510810800 566415182 /nfs/dbraw/zinc/41/51/82/566415182.db2.gz KQMRVRHIOWVVRI-PKWAYOAASA-N 1 2 379.254 3.364 10 0 GGAELO O=C(Nc1ccc(Br)cc1)C1CC[NH+](Cc2ncccn2)CC1 ZINC000484074336 566415126 /nfs/dbraw/zinc/41/51/26/566415126.db2.gz JPNVESPXTCBDCO-UHFFFAOYSA-N 1 2 375.270 3.090 10 0 GGAELO CC(C)(C)S(=O)(=O)c1ccc(NCc2[nH+]ccn2CC(F)(F)F)cn1 ZINC000536985070 566416463 /nfs/dbraw/zinc/41/64/63/566416463.db2.gz IBBIPHYXAOIDFC-UHFFFAOYSA-N 1 2 376.404 3.025 10 0 GGAELO CC(C)n1ncnc1CN(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510872905 566416832 /nfs/dbraw/zinc/41/68/32/566416832.db2.gz QFOWFUDZNURMCG-UHFFFAOYSA-N 1 2 393.289 3.113 10 0 GGAELO CCSc1ccc(CC(=O)N[C@@H]2CCn3cc[nH+]c3C2)c(Br)c1 ZINC000626521767 566419076 /nfs/dbraw/zinc/41/90/76/566419076.db2.gz JTLGBSKDZNWNGA-CYBMUJFWSA-N 1 2 394.338 3.431 10 0 GGAELO C[C@@H]1C[C@H](NC(=O)[C@H]2CCOc3ccc(Br)cc32)c2[nH+]ccn21 ZINC000650075945 566419954 /nfs/dbraw/zinc/41/99/54/566419954.db2.gz CVBUCVQZEOCTMQ-OSMZGAPFSA-N 1 2 376.254 3.334 10 0 GGAELO C[NH+](C)Cc1csc(NC(=O)[C@@H]2CCOc3ccc(Br)cc32)n1 ZINC000650087358 566421734 /nfs/dbraw/zinc/42/17/34/566421734.db2.gz CCTFQUKIIRMPOP-GFCCVEGCSA-N 1 2 396.310 3.472 10 0 GGAELO CO[C@@H](C)c1nc(C[N@@H+]2CCC[C@H](CNC(=O)CC(F)(F)F)C2)cs1 ZINC000510950125 566423452 /nfs/dbraw/zinc/42/34/52/566423452.db2.gz SMYQAZLXIVCLGH-NWDGAFQWSA-N 1 2 379.448 3.131 10 0 GGAELO CO[C@@H](C)c1nc(C[N@H+]2CCC[C@H](CNC(=O)CC(F)(F)F)C2)cs1 ZINC000510950125 566423459 /nfs/dbraw/zinc/42/34/59/566423459.db2.gz SMYQAZLXIVCLGH-NWDGAFQWSA-N 1 2 379.448 3.131 10 0 GGAELO COc1ccc(Br)cc1C1(NC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC000650121181 566424927 /nfs/dbraw/zinc/42/49/27/566424927.db2.gz MONHZYUIQCKHMF-GFCCVEGCSA-N 1 2 378.270 3.411 10 0 GGAELO CC(C)[N@@H+]1CC[C@H](NS(=O)(=O)CCCCF)[C@H]1c1ccc(F)c(F)c1 ZINC000557835385 566425150 /nfs/dbraw/zinc/42/51/50/566425150.db2.gz BOMPCYQIZWULPX-DLBZAZTESA-N 1 2 378.460 3.158 10 0 GGAELO CC(C)[N@H+]1CC[C@H](NS(=O)(=O)CCCCF)[C@H]1c1ccc(F)c(F)c1 ZINC000557835385 566425154 /nfs/dbraw/zinc/42/51/54/566425154.db2.gz BOMPCYQIZWULPX-DLBZAZTESA-N 1 2 378.460 3.158 10 0 GGAELO Cc1ccc([C@H](CNS(=O)(=O)c2c(F)cccc2Cl)[NH+]2CCCC2)o1 ZINC000463675622 566426446 /nfs/dbraw/zinc/42/64/46/566426446.db2.gz BDUBJZPZVLIUJR-HNNXBMFYSA-N 1 2 386.876 3.496 10 0 GGAELO O=C(C[N@H+]1CCOC[C@@H]1[C@H]1CCCC[C@@H]1O)Nc1ccc(Cl)c(Cl)c1 ZINC000671533295 566427350 /nfs/dbraw/zinc/42/73/50/566427350.db2.gz UCEVWBQKYQGVBN-XYPHTWIQSA-N 1 2 387.307 3.184 10 0 GGAELO O=C(C[N@@H+]1CCOC[C@@H]1[C@H]1CCCC[C@@H]1O)Nc1ccc(Cl)c(Cl)c1 ZINC000671533295 566427354 /nfs/dbraw/zinc/42/73/54/566427354.db2.gz UCEVWBQKYQGVBN-XYPHTWIQSA-N 1 2 387.307 3.184 10 0 GGAELO COCc1cnc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)s1 ZINC000537206431 566430701 /nfs/dbraw/zinc/43/07/01/566430701.db2.gz QDADMMWQPBSYIC-GFCCVEGCSA-N 1 2 380.901 3.189 10 0 GGAELO COCc1cnc(C[N@H+]2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)s1 ZINC000537206431 566430703 /nfs/dbraw/zinc/43/07/03/566430703.db2.gz QDADMMWQPBSYIC-GFCCVEGCSA-N 1 2 380.901 3.189 10 0 GGAELO COc1cc(Br)ccc1[C@H](C)NC(=O)[C@@H]1CCn2cc(C)[nH+]c2C1 ZINC000626628521 566431066 /nfs/dbraw/zinc/43/10/66/566431066.db2.gz SSDWCNQXJRWQIZ-QWHCGFSZSA-N 1 2 392.297 3.402 10 0 GGAELO Cc1cn2c([nH+]1)C[C@H](C(=O)N(C)Cc1ccc(F)cc1Br)CC2 ZINC000626640002 566432822 /nfs/dbraw/zinc/43/28/22/566432822.db2.gz OPTDZLXNGIFZII-GFCCVEGCSA-N 1 2 380.261 3.314 10 0 GGAELO Cc1cc(Br)cc(C(=O)NCc2[nH+]ccn2CC(F)(F)F)c1 ZINC000463774196 566432900 /nfs/dbraw/zinc/43/29/00/566432900.db2.gz WYRGVNHOPRZFNP-UHFFFAOYSA-N 1 2 376.176 3.446 10 0 GGAELO Cc1c(Cl)c(C[N@H+]2CCC[C@H](S(=O)(=O)N(C)C)C2)nc2ccccc12 ZINC000511071793 566433956 /nfs/dbraw/zinc/43/39/56/566433956.db2.gz HYXLMNSVFMRNAM-AWEZNQCLSA-N 1 2 381.929 3.052 10 0 GGAELO Cc1c(Cl)c(C[N@@H+]2CCC[C@H](S(=O)(=O)N(C)C)C2)nc2ccccc12 ZINC000511071793 566433963 /nfs/dbraw/zinc/43/39/63/566433963.db2.gz HYXLMNSVFMRNAM-AWEZNQCLSA-N 1 2 381.929 3.052 10 0 GGAELO Cn1nccc1C1=CC[N@H+](Cc2ccc(I)cc2)CC1 ZINC000511074502 566434264 /nfs/dbraw/zinc/43/42/64/566434264.db2.gz VBKXLIULLTUSMO-UHFFFAOYSA-N 1 2 379.245 3.314 10 0 GGAELO Cn1nccc1C1=CC[N@@H+](Cc2ccc(I)cc2)CC1 ZINC000511074502 566434271 /nfs/dbraw/zinc/43/42/71/566434271.db2.gz VBKXLIULLTUSMO-UHFFFAOYSA-N 1 2 379.245 3.314 10 0 GGAELO CN(C)c1[nH+]cccc1CNC(=O)N1CCc2c1cccc2Br ZINC000422141523 566434729 /nfs/dbraw/zinc/43/47/29/566434729.db2.gz DVAYXCMQMHYXNS-UHFFFAOYSA-N 1 2 375.270 3.182 10 0 GGAELO CCn1c2ccc(Br)cc2nc1C[NH2+]Cc1cn(C(C)C)nn1 ZINC000577443123 566434779 /nfs/dbraw/zinc/43/47/79/566434779.db2.gz LERKVDMMWWSNDI-UHFFFAOYSA-N 1 2 377.290 3.281 10 0 GGAELO O=C(NCCCNc1cccc[nH+]1)N1CCc2c1cccc2Br ZINC000422161555 566436403 /nfs/dbraw/zinc/43/64/03/566436403.db2.gz CXSKNXDVJFJVSH-UHFFFAOYSA-N 1 2 375.270 3.418 10 0 GGAELO COc1ccc(Br)c(CN(C)C(=O)[C@H]2CCn3cc(C)[nH+]c3C2)c1 ZINC000626661118 566436635 /nfs/dbraw/zinc/43/66/35/566436635.db2.gz HQXAEAIFPMFGHS-ZDUSSCGKSA-N 1 2 392.297 3.184 10 0 GGAELO O=C(NCCc1cn2c([nH+]1)CCCC2)N1CCc2c1cccc2Br ZINC000422168231 566436803 /nfs/dbraw/zinc/43/68/03/566436803.db2.gz JUTKBLVSIGBVJR-UHFFFAOYSA-N 1 2 389.297 3.297 10 0 GGAELO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)N1CCc2c1cccc2Br ZINC000422184945 566438352 /nfs/dbraw/zinc/43/83/52/566438352.db2.gz PZZQJKLMSCNSPK-ZDUSSCGKSA-N 1 2 387.281 3.195 10 0 GGAELO CN(C)c1[nH+]cccc1N(C)S(=O)(=O)c1ccc(C(F)(F)F)c(F)c1 ZINC000447870047 566440223 /nfs/dbraw/zinc/44/02/23/566440223.db2.gz WRCNRHAHNJOYPM-UHFFFAOYSA-N 1 2 377.363 3.131 10 0 GGAELO Cc1cc(Cl)ccc1C[NH+]1CCN(C(=O)NCCOC(F)(F)F)CC1 ZINC000558016164 566441315 /nfs/dbraw/zinc/44/13/15/566441315.db2.gz PQWVFUNYRHJWJD-UHFFFAOYSA-N 1 2 379.810 3.012 10 0 GGAELO Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@H]1CSc3ccc(Br)cc31)CC2 ZINC000626691356 566441516 /nfs/dbraw/zinc/44/15/16/566441516.db2.gz AGLXYAWOGUNDRB-RISCZKNCSA-N 1 2 392.322 3.480 10 0 GGAELO Cc1cn2c([nH+]1)C[C@@H](C(=O)N[C@H]1CSc3ccc(Br)cc31)CC2 ZINC000626691355 566442486 /nfs/dbraw/zinc/44/24/86/566442486.db2.gz AGLXYAWOGUNDRB-FZMZJTMJSA-N 1 2 392.322 3.480 10 0 GGAELO C[C@@H]1CO[C@H](C(F)(F)F)C[N@@H+]1C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000671709827 566442802 /nfs/dbraw/zinc/44/28/02/566442802.db2.gz OSGLTNJYPRVRIY-RULNRJAQSA-N 1 2 388.213 3.385 10 0 GGAELO C[C@@H]1CO[C@H](C(F)(F)F)C[N@H+]1C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000671709827 566442808 /nfs/dbraw/zinc/44/28/08/566442808.db2.gz OSGLTNJYPRVRIY-RULNRJAQSA-N 1 2 388.213 3.385 10 0 GGAELO O=C(Cn1cc[nH+]c1)NCCOc1c(Cl)cc(Br)cc1Cl ZINC000558035356 566444492 /nfs/dbraw/zinc/44/44/92/566444492.db2.gz JFMCXPOCFWSWMH-UHFFFAOYSA-N 1 2 393.068 3.148 10 0 GGAELO COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1C[C@@H](C(F)(F)F)OC[C@@H]1C ZINC000671712383 566444445 /nfs/dbraw/zinc/44/44/45/566444445.db2.gz ZDLUSHMLXMSFQP-HZMBPMFUSA-N 1 2 380.794 3.329 10 0 GGAELO COc1ccc(Cl)cc1NC(=O)CC[N@H+]1C[C@@H](C(F)(F)F)OC[C@@H]1C ZINC000671712383 566444446 /nfs/dbraw/zinc/44/44/46/566444446.db2.gz ZDLUSHMLXMSFQP-HZMBPMFUSA-N 1 2 380.794 3.329 10 0 GGAELO C[C@H]1CO[C@@H](C(F)(F)F)CN1Cc1cn2cc(Br)ccc2[nH+]1 ZINC000671711837 566444611 /nfs/dbraw/zinc/44/46/11/566444611.db2.gz NAKGPBYVQLOQQL-JOYOIKCWSA-N 1 2 378.192 3.248 10 0 GGAELO COc1cc(Cl)c(S(=O)(=O)Nc2ccc3[nH+]c(C)cn3c2)cc1OC ZINC000447896429 566445295 /nfs/dbraw/zinc/44/52/95/566445295.db2.gz HPEDUOBDQGYTHV-UHFFFAOYSA-N 1 2 381.841 3.114 10 0 GGAELO CC(C)(C(=O)N1CC(Oc2cc[nH+]cc2)C1)c1cccc(Br)c1 ZINC000602128471 566446660 /nfs/dbraw/zinc/44/66/60/566446660.db2.gz UHVYGEFHESIWCA-UHFFFAOYSA-N 1 2 375.266 3.412 10 0 GGAELO C[C@@H](Oc1ccccc1Br)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000602141586 566448599 /nfs/dbraw/zinc/44/85/99/566448599.db2.gz HDCFVPNCIQJBDD-ZIAGYGMSSA-N 1 2 378.270 3.277 10 0 GGAELO COC(=O)[C@@](C)(NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)c1ccc(Cl)c(Cl)c1 ZINC000602142075 566448968 /nfs/dbraw/zinc/44/89/68/566448968.db2.gz MEMJHHRRLJCRAD-AGKHESDQSA-N 1 2 382.247 3.025 10 0 GGAELO COC(=O)[C@@](C)(NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)c1ccc(Cl)c(Cl)c1 ZINC000602142075 566448975 /nfs/dbraw/zinc/44/89/75/566448975.db2.gz MEMJHHRRLJCRAD-AGKHESDQSA-N 1 2 382.247 3.025 10 0 GGAELO C[N@H+](CCCNC(=O)N=c1nc(-c2ccsc2)[nH]s1)C1CCCCC1 ZINC000448003364 566453377 /nfs/dbraw/zinc/45/33/77/566453377.db2.gz HCZWQOGYERBCRM-UHFFFAOYSA-N 1 2 379.555 3.465 10 0 GGAELO C[N@@H+](CCCNC(=O)N=c1nc(-c2ccsc2)[nH]s1)C1CCCCC1 ZINC000448003364 566453379 /nfs/dbraw/zinc/45/33/79/566453379.db2.gz HCZWQOGYERBCRM-UHFFFAOYSA-N 1 2 379.555 3.465 10 0 GGAELO CC[NH+](CC)CC1CCN(C(=O)N=c2nc(-c3ccsc3)[nH]s2)CC1 ZINC000448009863 566454163 /nfs/dbraw/zinc/45/41/63/566454163.db2.gz LBYAQVTVZVSUNB-UHFFFAOYSA-N 1 2 379.555 3.274 10 0 GGAELO CC(=O)NCC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2Br)C1 ZINC000558153074 566455590 /nfs/dbraw/zinc/45/55/90/566455590.db2.gz AWEZETABEAPUCD-ZFWWWQNUSA-N 1 2 396.329 3.014 10 0 GGAELO CC(=O)NCC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2Br)C1 ZINC000558153074 566455593 /nfs/dbraw/zinc/45/55/93/566455593.db2.gz AWEZETABEAPUCD-ZFWWWQNUSA-N 1 2 396.329 3.014 10 0 GGAELO Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC000537615087 566455665 /nfs/dbraw/zinc/45/56/65/566455665.db2.gz QHOZHRTUOXCKSW-HNNXBMFYSA-N 1 2 381.929 3.009 10 0 GGAELO Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC000537615087 566455667 /nfs/dbraw/zinc/45/56/67/566455667.db2.gz QHOZHRTUOXCKSW-HNNXBMFYSA-N 1 2 381.929 3.009 10 0 GGAELO Cc1ccc(C(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)c(C)c1Br ZINC000671867945 566456724 /nfs/dbraw/zinc/45/67/24/566456724.db2.gz AUPOOZHEOQNXTG-DZGCQCFKSA-N 1 2 381.314 3.001 10 0 GGAELO Cc1ccc(C(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)c(C)c1Br ZINC000671867948 566456831 /nfs/dbraw/zinc/45/68/31/566456831.db2.gz AUPOOZHEOQNXTG-ZFWWWQNUSA-N 1 2 381.314 3.001 10 0 GGAELO CCCOc1ccc(Br)cc1C[N@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC000537615376 566457757 /nfs/dbraw/zinc/45/77/57/566457757.db2.gz RCRDMSXROWZXEF-ZDUSSCGKSA-N 1 2 390.343 3.104 10 0 GGAELO CCCOc1ccc(Br)cc1C[N@@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC000537615376 566457764 /nfs/dbraw/zinc/45/77/64/566457764.db2.gz RCRDMSXROWZXEF-ZDUSSCGKSA-N 1 2 390.343 3.104 10 0 GGAELO CC[C@H]1CN(Cc2c[nH+]c3ccc(Br)cn23)CCN1CC(F)F ZINC000537650278 566459067 /nfs/dbraw/zinc/45/90/67/566459067.db2.gz SISVDFAWZNZGQU-ZDUSSCGKSA-N 1 2 387.272 3.258 10 0 GGAELO Brc1ccc(N2CC[NH+](Cc3ccnn3-c3ccccc3)CC2)nc1 ZINC000448214390 566464161 /nfs/dbraw/zinc/46/41/61/566464161.db2.gz SPUYUKXBRFFMSJ-UHFFFAOYSA-N 1 2 398.308 3.352 10 0 GGAELO CCOc1cc(C[N@@H+]2CCSC[C@H]2CCO)cc(Br)c1OC ZINC000537709135 566464208 /nfs/dbraw/zinc/46/42/08/566464208.db2.gz FWIPFPORRZYKMH-CYBMUJFWSA-N 1 2 390.343 3.156 10 0 GGAELO CCOc1cc(C[N@H+]2CCSC[C@H]2CCO)cc(Br)c1OC ZINC000537709135 566464214 /nfs/dbraw/zinc/46/42/14/566464214.db2.gz FWIPFPORRZYKMH-CYBMUJFWSA-N 1 2 390.343 3.156 10 0 GGAELO OCC[C@H]1CSCC[N@@H+]1Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000537709043 566464427 /nfs/dbraw/zinc/46/44/27/566464427.db2.gz CPXJHCGHOILTIE-AWEZNQCLSA-N 1 2 382.327 3.139 10 0 GGAELO OCC[C@H]1CSCC[N@H+]1Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000537709043 566464435 /nfs/dbraw/zinc/46/44/35/566464435.db2.gz CPXJHCGHOILTIE-AWEZNQCLSA-N 1 2 382.327 3.139 10 0 GGAELO COC(=O)[C@H](C)C[N@H+](Cc1c(Br)c(C)nn1C)Cc1ccccc1 ZINC000448211502 566464531 /nfs/dbraw/zinc/46/45/31/566464531.db2.gz CSIVIJXZWSITCR-CYBMUJFWSA-N 1 2 394.313 3.302 10 0 GGAELO COC(=O)[C@H](C)C[N@@H+](Cc1c(Br)c(C)nn1C)Cc1ccccc1 ZINC000448211502 566464536 /nfs/dbraw/zinc/46/45/36/566464536.db2.gz CSIVIJXZWSITCR-CYBMUJFWSA-N 1 2 394.313 3.302 10 0 GGAELO C[C@H]1CO[C@@H](CO)C[N@@H+]1Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000537702005 566464540 /nfs/dbraw/zinc/46/45/40/566464540.db2.gz VWGMXNNTMIDRCJ-SMDDNHRTSA-N 1 2 383.311 3.154 10 0 GGAELO C[C@H]1CO[C@@H](CO)C[N@H+]1Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000537702005 566464545 /nfs/dbraw/zinc/46/45/45/566464545.db2.gz VWGMXNNTMIDRCJ-SMDDNHRTSA-N 1 2 383.311 3.154 10 0 GGAELO Cc1c(C(=O)N(CCn2cc[nH+]c2)Cc2ccc(Br)o2)ccn1C ZINC000672113474 566465351 /nfs/dbraw/zinc/46/53/51/566465351.db2.gz XKGXWEJFBTXLGM-UHFFFAOYSA-N 1 2 391.269 3.228 10 0 GGAELO O=C(N[C@H]1CCc2c[nH+]cn2C1)c1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC000672149290 566466852 /nfs/dbraw/zinc/46/68/52/566466852.db2.gz KYALDDAIRKTJIB-LBPRGKRZSA-N 1 2 376.247 3.120 10 0 GGAELO Cc1cn2c([nH+]1)C[C@@H](C(=O)NCc1cc(F)c(F)cc1Br)CC2 ZINC000627186990 566470970 /nfs/dbraw/zinc/47/09/70/566470970.db2.gz VUXRPTCFQHRZTF-JTQLQIEISA-N 1 2 384.224 3.111 10 0 GGAELO C[C@](CO)([NH2+]Cc1nncn1-c1ccccc1)c1ccc(Br)cc1 ZINC000511555761 566472164 /nfs/dbraw/zinc/47/21/64/566472164.db2.gz PSTZAWJNGXYYMD-GOSISDBHSA-N 1 2 387.281 3.027 10 0 GGAELO CNC(=O)Cc1nc(C[N@@H+]2CCC[C@@H]2Cc2c(F)cccc2Cl)cs1 ZINC000485056682 566472438 /nfs/dbraw/zinc/47/24/38/566472438.db2.gz MIEOLKQIRFIINC-CYBMUJFWSA-N 1 2 381.904 3.431 10 0 GGAELO CNC(=O)Cc1nc(C[N@H+]2CCC[C@@H]2Cc2c(F)cccc2Cl)cs1 ZINC000485056682 566472442 /nfs/dbraw/zinc/47/24/42/566472442.db2.gz MIEOLKQIRFIINC-CYBMUJFWSA-N 1 2 381.904 3.431 10 0 GGAELO C[C@@](CO)([NH2+]Cc1cn(-c2ccccc2)nn1)c1ccc(Br)cc1 ZINC000511575389 566474058 /nfs/dbraw/zinc/47/40/58/566474058.db2.gz MRNAICPYHQRDFL-SFHVURJKSA-N 1 2 387.281 3.027 10 0 GGAELO C[C@@](CO)([NH2+]Cc1nc(-c2ccoc2)no1)c1ccc(Br)cc1 ZINC000511572024 566474070 /nfs/dbraw/zinc/47/40/70/566474070.db2.gz CQYQJPYJUAMFPU-INIZCTEOSA-N 1 2 378.226 3.089 10 0 GGAELO COC(=O)c1sccc1C[NH2+][C@@](C)(CO)c1ccc(Br)cc1 ZINC000511625132 566477118 /nfs/dbraw/zinc/47/71/18/566477118.db2.gz QYPGSTKXYYKEKO-INIZCTEOSA-N 1 2 384.295 3.295 10 0 GGAELO O=C(CCc1cccc(F)c1Br)N1CCN(c2cccc[nH+]2)CC1 ZINC000448566825 566478821 /nfs/dbraw/zinc/47/88/21/566478821.db2.gz URGHTLOVVSPXDJ-UHFFFAOYSA-N 1 2 392.272 3.265 10 0 GGAELO CC(C)(C)n1nnnc1C[N@H+]1CC=C(c2cccc(Br)c2)CC1 ZINC000464501584 566480256 /nfs/dbraw/zinc/48/02/56/566480256.db2.gz ZZRXCSATSJZVLL-UHFFFAOYSA-N 1 2 376.302 3.480 10 0 GGAELO CC(C)(C)n1nnnc1C[N@@H+]1CC=C(c2cccc(Br)c2)CC1 ZINC000464501584 566480260 /nfs/dbraw/zinc/48/02/60/566480260.db2.gz ZZRXCSATSJZVLL-UHFFFAOYSA-N 1 2 376.302 3.480 10 0 GGAELO OC[C@@H]1C[N@H+](Cc2nc3cc(Br)ccc3[nH]2)CC[C@H]1C(F)(F)F ZINC000511663577 566480304 /nfs/dbraw/zinc/48/03/04/566480304.db2.gz DIOANEMZOBLJAO-GXSJLCMTSA-N 1 2 392.219 3.318 10 0 GGAELO OC[C@@H]1C[N@@H+](Cc2nc3cc(Br)ccc3[nH]2)CC[C@H]1C(F)(F)F ZINC000511663577 566480311 /nfs/dbraw/zinc/48/03/11/566480311.db2.gz DIOANEMZOBLJAO-GXSJLCMTSA-N 1 2 392.219 3.318 10 0 GGAELO Cc1ccc(CC(=O)N2CC[NH+](Cc3ccncc3)CC2)c(Br)c1 ZINC000448596315 566481610 /nfs/dbraw/zinc/48/16/10/566481610.db2.gz FAYCCIVGPGVGNS-UHFFFAOYSA-N 1 2 388.309 3.039 10 0 GGAELO CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000537965393 566481858 /nfs/dbraw/zinc/48/18/58/566481858.db2.gz IUHVZUCNVIUWQZ-UHFFFAOYSA-N 1 2 379.913 3.291 10 0 GGAELO C[C@@H](Nc1ccc2c(c1)CC[NH2+]2)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000423222086 566482817 /nfs/dbraw/zinc/48/28/17/566482817.db2.gz ZPSJVTKNNYETTE-SNVBAGLBSA-N 1 2 396.310 3.238 10 0 GGAELO O=C(NC1(c2ccc(Br)cc2)CC1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000511729457 566485059 /nfs/dbraw/zinc/48/50/59/566485059.db2.gz MGJJFNVDVPFMPU-UHFFFAOYSA-N 1 2 383.249 3.449 10 0 GGAELO Cc1ccc(S(=O)(=O)N(C)C)cc1NCc1cc(-n2cc[nH+]c2)cs1 ZINC000511758739 566486815 /nfs/dbraw/zinc/48/68/15/566486815.db2.gz ROMIPSMTNIAQRI-UHFFFAOYSA-N 1 2 376.507 3.105 10 0 GGAELO Cc1cc(S(=O)(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)sc1C ZINC000538016359 566487070 /nfs/dbraw/zinc/48/70/70/566487070.db2.gz BWDSCJJAYMMBRG-WBVHZDCISA-N 1 2 386.489 3.367 10 0 GGAELO Cc1cc(S(=O)(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)sc1C ZINC000538016359 566487076 /nfs/dbraw/zinc/48/70/76/566487076.db2.gz BWDSCJJAYMMBRG-WBVHZDCISA-N 1 2 386.489 3.367 10 0 GGAELO COC(=O)c1cc(C[NH2+]C2(c3cc(Br)ccc3OC)CC2)on1 ZINC000602700817 566488086 /nfs/dbraw/zinc/48/80/86/566488086.db2.gz ORTUNVLNJYLNCN-UHFFFAOYSA-N 1 2 381.226 3.011 10 0 GGAELO Cc1ccc(Br)cc1CC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000448703939 566488486 /nfs/dbraw/zinc/48/84/86/566488486.db2.gz GPCDEMXLIIUBNX-UHFFFAOYSA-N 1 2 388.309 3.480 10 0 GGAELO COc1ccc([C@@H](C)NC(=O)Cc2cn3c([nH+]2)CCCC3)cc1Br ZINC000651028266 566489812 /nfs/dbraw/zinc/48/98/12/566489812.db2.gz LBDKXLXEGLUDDD-GFCCVEGCSA-N 1 2 392.297 3.410 10 0 GGAELO O=C(N[C@H]1CCn2cc[nH+]c2C1)NC1(c2ccccc2Br)CCC1 ZINC000651044786 566491806 /nfs/dbraw/zinc/49/18/06/566491806.db2.gz XJMPLCWAYZFBHE-ZDUSSCGKSA-N 1 2 389.297 3.339 10 0 GGAELO Cc1cc(NC(=O)[C@H](c2cc(Cl)cc(Cl)c2)N2CCOCC2)cc[nH+]1 ZINC000511850998 566492873 /nfs/dbraw/zinc/49/28/73/566492873.db2.gz WILYHDJVTLNJRX-KRWDZBQOSA-N 1 2 380.275 3.131 10 0 GGAELO CN(Cc1cc(Br)ccc1F)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651075024 566493473 /nfs/dbraw/zinc/49/34/73/566493473.db2.gz BWBZPATTXKLHJX-UHFFFAOYSA-N 1 2 380.261 3.322 10 0 GGAELO Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@@H]1CCc3c1ccc(F)c3Br)CC2 ZINC000627641847 566493880 /nfs/dbraw/zinc/49/38/80/566493880.db2.gz UVADPARYDISKAD-IAQYHMDHSA-N 1 2 392.272 3.459 10 0 GGAELO Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@H]1CCc3c1ccc(F)c3Br)CC2 ZINC000627641846 566494094 /nfs/dbraw/zinc/49/40/94/566494094.db2.gz UVADPARYDISKAD-ABAIWWIYSA-N 1 2 392.272 3.459 10 0 GGAELO C[C@H]1CC[C@H]1NC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000511879400 566494483 /nfs/dbraw/zinc/49/44/83/566494483.db2.gz KTOTVKOGKOOEKJ-GXTWGEPZSA-N 1 2 381.274 3.249 10 0 GGAELO Cc1cc([C@H]2CCCN2c2nc3c(cnn3C)c(N)[nH+]2)ccc1Br ZINC000485399991 566496092 /nfs/dbraw/zinc/49/60/92/566496092.db2.gz BPLAOKQLGATYGG-CQSZACIVSA-N 1 2 387.285 3.358 10 0 GGAELO O=C(NCc1ccc(N2CCCCC2)[nH+]c1)c1nscc1Br ZINC000651114815 566496910 /nfs/dbraw/zinc/49/69/10/566496910.db2.gz PKFCWQLOBKAVLJ-UHFFFAOYSA-N 1 2 381.299 3.221 10 0 GGAELO FC(F)Oc1ccc(C[N@@H+]2CCO[C@]3(CCCOC3)C2)cc1Br ZINC000578175560 566497974 /nfs/dbraw/zinc/49/79/74/566497974.db2.gz NATHOSDMFFZCOF-MRXNPFEDSA-N 1 2 392.240 3.432 10 0 GGAELO FC(F)Oc1ccc(C[N@H+]2CCO[C@]3(CCCOC3)C2)cc1Br ZINC000578175560 566497980 /nfs/dbraw/zinc/49/79/80/566497980.db2.gz NATHOSDMFFZCOF-MRXNPFEDSA-N 1 2 392.240 3.432 10 0 GGAELO O=C(Cc1cn2c([nH+]1)CCCC2)N[C@H]1CCOc2ccc(Br)cc21 ZINC000651167960 566499976 /nfs/dbraw/zinc/49/99/76/566499976.db2.gz CNUBDCYUUAOBDS-HNNXBMFYSA-N 1 2 390.281 3.164 10 0 GGAELO C[NH+](C)Cc1csc(NC(=O)[C@H]2[C@@H]3c4cccc(Br)c4C[C@H]23)n1 ZINC000627711200 566500449 /nfs/dbraw/zinc/50/04/49/566500449.db2.gz ZWYHFLSSOQTXOR-NWANDNLSSA-N 1 2 392.322 3.492 10 0 GGAELO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)CSCc2cscn2)CC1 ZINC000538271877 566501048 /nfs/dbraw/zinc/50/10/48/566501048.db2.gz VLQQILRBPMQIAL-CQSZACIVSA-N 1 2 379.526 3.421 10 0 GGAELO Nc1nccc([C@@H]2CCC[N@H+](Cc3c(F)ccc(Br)c3F)C2)n1 ZINC000558738649 566503064 /nfs/dbraw/zinc/50/30/64/566503064.db2.gz UVGKFECUPVGHNB-SNVBAGLBSA-N 1 2 383.240 3.309 10 0 GGAELO Nc1nccc([C@@H]2CCC[N@@H+](Cc3c(F)ccc(Br)c3F)C2)n1 ZINC000558738649 566503072 /nfs/dbraw/zinc/50/30/72/566503072.db2.gz UVGKFECUPVGHNB-SNVBAGLBSA-N 1 2 383.240 3.309 10 0 GGAELO COCc1c(Br)cccc1NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651223772 566504122 /nfs/dbraw/zinc/50/41/22/566504122.db2.gz WBVVEHWZYQLQOY-UHFFFAOYSA-N 1 2 378.270 3.310 10 0 GGAELO O=C([C@@H]1CCOc2ccc(Br)cc21)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000651255173 566504233 /nfs/dbraw/zinc/50/42/33/566504233.db2.gz JKVYZWUBFZBSGY-LSDHHAIUSA-N 1 2 390.281 3.375 10 0 GGAELO O=C([C@H]1CCOc2ccc(Br)cc21)N1CCC(n2cc[nH+]c2)CC1 ZINC000651209885 566504422 /nfs/dbraw/zinc/50/44/22/566504422.db2.gz UFOBQSSKWHDMAU-HNNXBMFYSA-N 1 2 390.281 3.375 10 0 GGAELO CN(CCc1ccc(Br)cc1)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651275829 566505974 /nfs/dbraw/zinc/50/59/74/566505974.db2.gz CVDPEVVTGYCLIS-UHFFFAOYSA-N 1 2 376.298 3.226 10 0 GGAELO O=C([C@@H](c1ccc(Br)cc1)[NH+]1CCCC1)N1CCO[C@H](C2CC2)C1 ZINC000485515000 566506918 /nfs/dbraw/zinc/50/69/18/566506918.db2.gz KOMQJPXBAHKMID-ZWKOTPCHSA-N 1 2 393.325 3.223 10 0 GGAELO C[C@H](O)C[NH+]1CCN(c2cc3nccc(Cl)c3cc2Br)CC1 ZINC000651306034 566509328 /nfs/dbraw/zinc/50/93/28/566509328.db2.gz NKHFZQYCNKCEOH-NSHDSACASA-N 1 2 384.705 3.154 10 0 GGAELO C[C@H]1COCC[N@@H+]1CCNC(=O)c1ccc2scc(Br)c2c1 ZINC000448910350 566510833 /nfs/dbraw/zinc/51/08/33/566510833.db2.gz MURXKHUCCJDJHO-NSHDSACASA-N 1 2 383.311 3.114 10 0 GGAELO C[C@H]1COCC[N@H+]1CCNC(=O)c1ccc2scc(Br)c2c1 ZINC000448910350 566510838 /nfs/dbraw/zinc/51/08/38/566510838.db2.gz MURXKHUCCJDJHO-NSHDSACASA-N 1 2 383.311 3.114 10 0 GGAELO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1Cc1c(Br)cc(OC)cc1OC ZINC000512066188 566511012 /nfs/dbraw/zinc/51/10/12/566511012.db2.gz DKLCJPWVELZPQO-INIZCTEOSA-N 1 2 399.329 3.299 10 0 GGAELO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1Cc1c(Br)cc(OC)cc1OC ZINC000512066188 566511015 /nfs/dbraw/zinc/51/10/15/566511015.db2.gz DKLCJPWVELZPQO-INIZCTEOSA-N 1 2 399.329 3.299 10 0 GGAELO Cn1c([C@@H]2CCCS2)nnc1N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000424096099 566511219 /nfs/dbraw/zinc/51/12/19/566511219.db2.gz XNHLTPSDNOPBGY-INIZCTEOSA-N 1 2 377.945 3.359 10 0 GGAELO Cn1cc[nH+]c1CN1CCN(C(=O)c2c(Cl)cc(Cl)cc2Cl)CC1 ZINC000448921414 566512470 /nfs/dbraw/zinc/51/24/70/566512470.db2.gz MRAFBDHATDHRDL-UHFFFAOYSA-N 1 2 387.698 3.338 10 0 GGAELO CN(C)S(=O)(=O)c1ccc(CSCc2[nH+]ccn2CC(F)(F)F)s1 ZINC000424120514 566512899 /nfs/dbraw/zinc/51/28/99/566512899.db2.gz 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GGAELO CC(C)(C(=O)NCC/C=C/c1ccc(Br)cc1)[NH+]1CCOCC1 ZINC000628335093 566547769 /nfs/dbraw/zinc/54/77/69/566547769.db2.gz FMVDVCNEALFOJH-HWKANZROSA-N 1 2 381.314 3.079 10 0 GGAELO Cc1cn2c([nH+]1)CN(C(=O)C(=O)Nc1cc(Cl)c(Cl)c(Cl)c1)CC2 ZINC000651658654 566548610 /nfs/dbraw/zinc/54/86/10/566548610.db2.gz CCWAOGBQKOTQKQ-UHFFFAOYSA-N 1 2 387.654 3.133 10 0 GGAELO CC[C@@H](NC(=O)N1CCN(Cc2[nH+]ccn2C)CC1)c1ccc(Cl)s1 ZINC000603988949 566548870 /nfs/dbraw/zinc/54/88/70/566548870.db2.gz RXMZXZWATNYWHX-CYBMUJFWSA-N 1 2 381.933 3.114 10 0 GGAELO Cc1cc(Br)c(C[N@@H+]2CC[C@@]3(O)C[C@H]3C2)cc1Br ZINC000628340406 566549269 /nfs/dbraw/zinc/54/92/69/566549269.db2.gz MAMQACOERNQJQU-SMDDNHRTSA-N 1 2 375.104 3.477 10 0 GGAELO Cc1cc(Br)c(C[N@H+]2CC[C@@]3(O)C[C@H]3C2)cc1Br ZINC000628340406 566549275 /nfs/dbraw/zinc/54/92/75/566549275.db2.gz MAMQACOERNQJQU-SMDDNHRTSA-N 1 2 375.104 3.477 10 0 GGAELO COC(=O)Cn1cc(C[NH+]2CCC(c3cccc(Cl)c3Cl)CC2)nn1 ZINC000449335520 566550551 /nfs/dbraw/zinc/55/05/51/566550551.db2.gz 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/nfs/dbraw/zinc/55/82/50/566558250.db2.gz VTGCIYPMUMXPHV-UHFFFAOYSA-N 1 2 378.270 3.480 10 0 GGAELO CC[C@H]1[C@@H](CO)CC[N@@H+]1Cc1c(Br)cncc1Br ZINC000449419263 566560533 /nfs/dbraw/zinc/56/05/33/566560533.db2.gz HBBDNSWPGIJUHB-RNCFNFMXSA-N 1 2 378.108 3.199 10 0 GGAELO CC[C@H]1[C@@H](CO)CC[N@H+]1Cc1c(Br)cncc1Br ZINC000449419263 566560538 /nfs/dbraw/zinc/56/05/38/566560538.db2.gz HBBDNSWPGIJUHB-RNCFNFMXSA-N 1 2 378.108 3.199 10 0 GGAELO COC[C@@]1(C)C[N@H+](Cc2c[nH]nc2-c2ccc(Br)s2)CCO1 ZINC000628498671 566562477 /nfs/dbraw/zinc/56/24/77/566562477.db2.gz SUKYPNVLWWZYSH-OAHLLOKOSA-N 1 2 386.315 3.138 10 0 GGAELO COC[C@@]1(C)C[N@@H+](Cc2c[nH]nc2-c2ccc(Br)s2)CCO1 ZINC000628498671 566562482 /nfs/dbraw/zinc/56/24/82/566562482.db2.gz SUKYPNVLWWZYSH-OAHLLOKOSA-N 1 2 386.315 3.138 10 0 GGAELO COC[C@@]1(C)C[N@H+](Cc2cc(OC(F)F)ccc2Br)CCO1 ZINC000628497882 566562722 /nfs/dbraw/zinc/56/27/22/566562722.db2.gz ZCQSQYMKECSMKU-OAHLLOKOSA-N 1 2 380.229 3.288 10 0 GGAELO COC[C@@]1(C)C[N@@H+](Cc2cc(OC(F)F)ccc2Br)CCO1 ZINC000628497882 566562731 /nfs/dbraw/zinc/56/27/31/566562731.db2.gz ZCQSQYMKECSMKU-OAHLLOKOSA-N 1 2 380.229 3.288 10 0 GGAELO COC[C@]1(C)C[N@H+](Cc2cc(OC(F)F)ccc2Br)CCO1 ZINC000628497881 566562838 /nfs/dbraw/zinc/56/28/38/566562838.db2.gz ZCQSQYMKECSMKU-HNNXBMFYSA-N 1 2 380.229 3.288 10 0 GGAELO COC[C@]1(C)C[N@@H+](Cc2cc(OC(F)F)ccc2Br)CCO1 ZINC000628497881 566562843 /nfs/dbraw/zinc/56/28/43/566562843.db2.gz ZCQSQYMKECSMKU-HNNXBMFYSA-N 1 2 380.229 3.288 10 0 GGAELO FCC1([NH2+]Cc2ncc(Br)cc2Br)CCOCC1 ZINC000449445098 566562900 /nfs/dbraw/zinc/56/29/00/566562900.db2.gz GGNZYBNLSPPVGG-UHFFFAOYSA-N 1 2 382.071 3.215 10 0 GGAELO Cc1cc(Br)cc2c1CN(C(=O)N[C@@H](C)Cn1cc[nH+]c1)CC2 ZINC000539191156 566566344 /nfs/dbraw/zinc/56/63/44/566566344.db2.gz QAHSQRIZTVDLMA-ZDUSSCGKSA-N 1 2 377.286 3.110 10 0 GGAELO O=S(=O)(NCc1[nH+]ccn1CC(F)(F)F)c1cc(Cl)sc1Cl ZINC000539172950 566566447 /nfs/dbraw/zinc/56/64/47/566566447.db2.gz NNFDPGVMWUNQCT-UHFFFAOYSA-N 1 2 394.227 3.292 10 0 GGAELO O[C@@H]([C@H]1CC[N@@H+](Cc2ccc(I)cc2)C1)C(F)(F)F ZINC000449669314 566587743 /nfs/dbraw/zinc/58/77/43/566587743.db2.gz HRHYHZUHCGWUQC-JQWIXIFHSA-N 1 2 385.167 3.036 10 0 GGAELO CCOCCOc1ccc(Br)cc1C[N@@H+]1CC[C@](O)(C(F)F)C1 ZINC000449477277 566568289 /nfs/dbraw/zinc/56/82/89/566568289.db2.gz WGKBRVCECQXSSC-MRXNPFEDSA-N 1 2 394.256 3.066 10 0 GGAELO CCOCCOc1ccc(Br)cc1C[N@H+]1CC[C@](O)(C(F)F)C1 ZINC000449477277 566568291 /nfs/dbraw/zinc/56/82/91/566568291.db2.gz WGKBRVCECQXSSC-MRXNPFEDSA-N 1 2 394.256 3.066 10 0 GGAELO COc1c(Br)cccc1C[NH2+]Cc1nn(C)cc1Br ZINC000449484653 566569836 /nfs/dbraw/zinc/56/98/36/566569836.db2.gz MYKPBOUUGYCUSV-UHFFFAOYSA-N 1 2 389.091 3.244 10 0 GGAELO COc1ccc(C[NH2+]Cc2nn(C)cc2Br)c(OC(F)F)c1 ZINC000449484681 566569931 /nfs/dbraw/zinc/56/99/31/566569931.db2.gz NAYLQDINKHECHI-UHFFFAOYSA-N 1 2 376.201 3.082 10 0 GGAELO CCc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)c2[nH+]ccn2C)s1 ZINC000651874959 566571394 /nfs/dbraw/zinc/57/13/94/566571394.db2.gz NUVMIWUASVAIFA-MRXNPFEDSA-N 1 2 375.519 3.306 10 0 GGAELO CN(Cc1ccc(F)cc1Br)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651877039 566571480 /nfs/dbraw/zinc/57/14/80/566571480.db2.gz RUPAFYOZTPAUMY-UHFFFAOYSA-N 1 2 380.261 3.322 10 0 GGAELO Cc1cc(S(=O)(=O)N[C@@H](Cc2ccccc2)c2[nH+]ccn2C)c(C)s1 ZINC000651875274 566571505 /nfs/dbraw/zinc/57/15/05/566571505.db2.gz YVNHIQXRJNOLKF-INIZCTEOSA-N 1 2 375.519 3.361 10 0 GGAELO C[C@@H](C(=O)N1CC2(CC2)c2ccc(Br)cc21)[NH+]1CCSCC1 ZINC000628658513 566573134 /nfs/dbraw/zinc/57/31/34/566573134.db2.gz SMPURKLVEZMGFX-LBPRGKRZSA-N 1 2 381.339 3.265 10 0 GGAELO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+][C@H](c1ccccc1F)[C@@H](C)O ZINC000651892220 566573339 /nfs/dbraw/zinc/57/33/39/566573339.db2.gz LEMWGCDRJIXGRV-PXAZEXFGSA-N 1 2 385.888 3.484 10 0 GGAELO CCn1nccc1CC[NH+]1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000579008660 566573755 /nfs/dbraw/zinc/57/37/55/566573755.db2.gz QUEKOQUUSACVIP-UHFFFAOYSA-N 1 2 381.307 3.210 10 0 GGAELO COc1c(Br)cccc1C[N@@H+]1CCn2c(CC3CC3)nnc2C1 ZINC000651898448 566574608 /nfs/dbraw/zinc/57/46/08/566574608.db2.gz HQKNSEQWRZHBRC-UHFFFAOYSA-N 1 2 377.286 3.018 10 0 GGAELO COc1c(Br)cccc1C[N@H+]1CCn2c(CC3CC3)nnc2C1 ZINC000651898448 566574610 /nfs/dbraw/zinc/57/46/10/566574610.db2.gz HQKNSEQWRZHBRC-UHFFFAOYSA-N 1 2 377.286 3.018 10 0 GGAELO COc1cc(Br)ccc1[C@H]1CCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000628677125 566576068 /nfs/dbraw/zinc/57/60/68/566576068.db2.gz QLXPDCMJBKANLC-CQSZACIVSA-N 1 2 378.270 3.477 10 0 GGAELO COc1cc(Br)ccc1[C@H]1CCCN1C(=O)CCn1cc[nH+]c1 ZINC000628676904 566576126 /nfs/dbraw/zinc/57/61/26/566576126.db2.gz ONGQKCZHDGHTBU-OAHLLOKOSA-N 1 2 378.270 3.408 10 0 GGAELO CCc1ncc(C[N@H+](Cc2cc(C)c(C)c(S(N)(=O)=O)c2)C2CC2)s1 ZINC000651938209 566577789 /nfs/dbraw/zinc/57/77/89/566577789.db2.gz PPSLMFUKFDOHET-UHFFFAOYSA-N 1 2 379.551 3.134 10 0 GGAELO CCc1ncc(C[N@@H+](Cc2cc(C)c(C)c(S(N)(=O)=O)c2)C2CC2)s1 ZINC000651938209 566577795 /nfs/dbraw/zinc/57/77/95/566577795.db2.gz PPSLMFUKFDOHET-UHFFFAOYSA-N 1 2 379.551 3.134 10 0 GGAELO Cc1nc(N2CCC[C@@H]2c2cc(F)cc(Br)c2)nc(N(C)C)[nH+]1 ZINC000466500464 566579359 /nfs/dbraw/zinc/57/93/59/566579359.db2.gz VFXGQYNADRMVKV-CQSZACIVSA-N 1 2 380.265 3.489 10 0 GGAELO Cc1nc(N(C)C)nc(N2CCC[C@@H]2c2cc(F)cc(Br)c2)[nH+]1 ZINC000466500464 566579364 /nfs/dbraw/zinc/57/93/64/566579364.db2.gz VFXGQYNADRMVKV-CQSZACIVSA-N 1 2 380.265 3.489 10 0 GGAELO O=C(Cc1cn2c([nH+]1)CCCC2)N[C@H]1CCOc2c(Br)cccc21 ZINC000651994132 566582493 /nfs/dbraw/zinc/58/24/93/566582493.db2.gz GGEXFHLGZDODNV-HNNXBMFYSA-N 1 2 390.281 3.164 10 0 GGAELO CCCc1noc(C[NH2+][C@](C)(CC(=O)OC)c2ccc(Br)cc2)n1 ZINC000513143616 566582560 /nfs/dbraw/zinc/58/25/60/566582560.db2.gz FHMFGZVWXUNINR-QGZVFWFLSA-N 1 2 396.285 3.353 10 0 GGAELO COc1cc([C@@H](C)[NH2+]Cc2nn(C)cc2I)ccc1F ZINC000449604844 566582799 /nfs/dbraw/zinc/58/27/99/566582799.db2.gz LOIHZGOGYTZIDT-SECBINFHSA-N 1 2 389.212 3.023 10 0 GGAELO CC1(C)C(=O)N[C@@H]1C1CC[NH+](Cc2nc3ccc(Br)cc3[nH]2)CC1 ZINC000579137426 566584047 /nfs/dbraw/zinc/58/40/47/566584047.db2.gz BSEVUCZIGNEBQV-MRXNPFEDSA-N 1 2 391.313 3.062 10 0 GGAELO COC(=O)C[C@](C)([NH2+]Cc1nnc(C)s1)c1ccc(Br)cc1 ZINC000513151490 566585764 /nfs/dbraw/zinc/58/57/64/566585764.db2.gz YBXSMZWSUUOQMF-HNNXBMFYSA-N 1 2 384.299 3.177 10 0 GGAELO O[C@@H]([C@H]1CC[N@H+](Cc2ccc(I)cc2)C1)C(F)(F)F ZINC000449669314 566587740 /nfs/dbraw/zinc/58/77/40/566587740.db2.gz HRHYHZUHCGWUQC-JQWIXIFHSA-N 1 2 385.167 3.036 10 0 GGAELO Cc1cc(Br)cn2cc(CNC(=O)NC[C@@H]3C[C@H]3C3CC3)[nH+]c12 ZINC000579200125 566588637 /nfs/dbraw/zinc/58/86/37/566588637.db2.gz NLNZFKVBZUHMCR-WFASDCNBSA-N 1 2 377.286 3.251 10 0 GGAELO O=C(Cc1cn2c([nH+]1)CCCC2)N[C@@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000652101839 566591012 /nfs/dbraw/zinc/59/10/12/566591012.db2.gz ZRGGHQKOHSZHPY-INIZCTEOSA-N 1 2 382.291 3.309 10 0 GGAELO C[N@H+](CCC(F)(F)F)[C@H](CNS(=O)(=O)C1CC1)c1ccc(Cl)cc1 ZINC000560058905 566592026 /nfs/dbraw/zinc/59/20/26/566592026.db2.gz RZKRCDICXAVOAV-CQSZACIVSA-N 1 2 384.851 3.347 10 0 GGAELO C[N@@H+](CCC(F)(F)F)[C@H](CNS(=O)(=O)C1CC1)c1ccc(Cl)cc1 ZINC000560058905 566592030 /nfs/dbraw/zinc/59/20/30/566592030.db2.gz RZKRCDICXAVOAV-CQSZACIVSA-N 1 2 384.851 3.347 10 0 GGAELO Nc1ccc(SCC(=O)N2CC[NH+](Cc3ccccc3)CC2)c(Cl)c1 ZINC000513305187 566594286 /nfs/dbraw/zinc/59/42/86/566594286.db2.gz PZECBOWJAZAVAU-UHFFFAOYSA-N 1 2 375.925 3.359 10 0 GGAELO C[N@@H+]1CCN(S(=O)(=O)c2c(F)cccc2Cl)C[C@@H]1Cc1ccccc1 ZINC000560069900 566595312 /nfs/dbraw/zinc/59/53/12/566595312.db2.gz MUDGYSSRZDTEKB-HNNXBMFYSA-N 1 2 382.888 3.027 10 0 GGAELO C[N@H+]1CCN(S(=O)(=O)c2c(F)cccc2Cl)C[C@@H]1Cc1ccccc1 ZINC000560069900 566595319 /nfs/dbraw/zinc/59/53/19/566595319.db2.gz MUDGYSSRZDTEKB-HNNXBMFYSA-N 1 2 382.888 3.027 10 0 GGAELO Cc1cn2c([nH+]1)C[C@@H](C(=O)NCc1ccc(Br)c(F)c1F)CC2 ZINC000628893910 566596056 /nfs/dbraw/zinc/59/60/56/566596056.db2.gz GWPOIHOIVSGCCF-JTQLQIEISA-N 1 2 384.224 3.111 10 0 GGAELO Cc1cc[nH+]cc1N1CCN(C(=O)NCc2ccc(Br)s2)CC1 ZINC000539705131 566596835 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COc1ncc(C(=O)N2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1Cl ZINC000560120985 566600107 /nfs/dbraw/zinc/60/01/07/566600107.db2.gz GZGDDDBEYGXRSR-UHFFFAOYSA-N 1 2 380.275 3.355 10 0 GGAELO CC(C)[N@@H+](Cc1cc(Br)ccc1F)C[C@H](C)CS(C)(=O)=O ZINC000466828571 566601752 /nfs/dbraw/zinc/60/17/52/566601752.db2.gz YYALISSIMCPVPN-LBPRGKRZSA-N 1 2 380.323 3.479 10 0 GGAELO CC(C)[N@H+](Cc1cc(Br)ccc1F)C[C@H](C)CS(C)(=O)=O ZINC000466828571 566601757 /nfs/dbraw/zinc/60/17/57/566601757.db2.gz YYALISSIMCPVPN-LBPRGKRZSA-N 1 2 380.323 3.479 10 0 GGAELO C[C@@H](c1noc([C@@H](c2ccccc2)[NH+](C)C)n1)n1cc(Br)cn1 ZINC000579353266 566602533 /nfs/dbraw/zinc/60/25/33/566602533.db2.gz WNDNSIYBRMTPHS-SMDDNHRTSA-N 1 2 376.258 3.289 10 0 GGAELO CC[C@H](Nc1cc(COC)cc[nH+]1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000652330730 566603976 /nfs/dbraw/zinc/60/39/76/566603976.db2.gz NTKIGFLXYYYEQX-HNNXBMFYSA-N 1 2 383.901 3.353 10 0 GGAELO O=C([C@@H](c1ccc(Br)cc1)[NH+]1CCCC1)N1CCO[C@H](CCF)C1 ZINC000629016727 566605547 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CN(C(=O)Nc1ccc2[nH+]ccn2c1)[C@H](CO)c1cccc(Br)c1 ZINC000678006362 566775023 /nfs/dbraw/zinc/77/50/23/566775023.db2.gz SCMHYNGREMTGRA-OAHLLOKOSA-N 1 2 389.253 3.294 10 0 GGAELO C[C@@H]([NH2+]Cc1cn(C[C@H]2CCOC2)nn1)c1ccc(F)c(Br)c1 ZINC000631069762 566776221 /nfs/dbraw/zinc/77/62/21/566776221.db2.gz XESYKGMFJALKAJ-VXGBXAGGSA-N 1 2 383.265 3.067 10 0 GGAELO Cc1ccc(C(=O)Nc2ccc3[nH+]ccn3c2)cc1I ZINC000609623133 566777190 /nfs/dbraw/zinc/77/71/90/566777190.db2.gz OULTVDPTFVBNBD-UHFFFAOYSA-N 1 2 377.185 3.500 10 0 GGAELO CC(C)n1ncnc1C[NH2+][C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000631122027 566782375 /nfs/dbraw/zinc/78/23/75/566782375.db2.gz VKCOHBBTQOXLGT-CQSZACIVSA-N 1 2 382.295 3.451 10 0 GGAELO C[C@@H]([NH2+]Cc1cn(C[C@H]2CCOC2)nn1)c1ccc(Br)cc1F ZINC000631136203 566783901 /nfs/dbraw/zinc/78/39/01/566783901.db2.gz SPWQLJIIBQDMHQ-VXGBXAGGSA-N 1 2 383.265 3.067 10 0 GGAELO O=C([C@@H](c1ccc(Br)cc1)[NH+]1CCCC1)N1CC2(CC2(F)F)C1 ZINC000655186600 566784271 /nfs/dbraw/zinc/78/42/71/566784271.db2.gz JMDJOSFKTYYTBV-CQSZACIVSA-N 1 2 385.252 3.454 10 0 GGAELO COCC[N@H+](Cc1scnc1C)Cc1ccc(OCC(F)(F)F)nc1 ZINC000489392628 566785371 /nfs/dbraw/zinc/78/53/71/566785371.db2.gz ATKGYISIHTWIEW-UHFFFAOYSA-N 1 2 375.416 3.436 10 0 GGAELO COCC[N@@H+](Cc1scnc1C)Cc1ccc(OCC(F)(F)F)nc1 ZINC000489392628 566785378 /nfs/dbraw/zinc/78/53/78/566785378.db2.gz ATKGYISIHTWIEW-UHFFFAOYSA-N 1 2 375.416 3.436 10 0 GGAELO COC(=O)[C@H]1Cc2c(Br)cccc2CN1Cc1[nH+]ccn1C(C)C ZINC000451281356 566787854 /nfs/dbraw/zinc/78/78/54/566787854.db2.gz YKGLUPMWSDBWCI-MRXNPFEDSA-N 1 2 392.297 3.326 10 0 GGAELO Cn1ncc(Br)c1C[NH2+][C@@H](CO)c1cccc(C(F)(F)F)c1 ZINC000631190886 566789049 /nfs/dbraw/zinc/78/90/49/566789049.db2.gz JTOIBQHOPPERKF-LBPRGKRZSA-N 1 2 378.192 3.025 10 0 GGAELO Cn1ncc(Br)c1C[NH2+][C@H](CCO)c1ccc(Cl)c(F)c1 ZINC000631189610 566789694 /nfs/dbraw/zinc/78/96/94/566789694.db2.gz CULFFETUMLVBOG-CYBMUJFWSA-N 1 2 376.657 3.188 10 0 GGAELO COCC[N@H+](CC(=O)Nc1ccc(OC)c(Cl)c1)Cc1scnc1C ZINC000489468517 566790595 /nfs/dbraw/zinc/79/05/95/566790595.db2.gz IOLXISUPGCEVIJ-UHFFFAOYSA-N 1 2 383.901 3.201 10 0 GGAELO COCC[N@@H+](CC(=O)Nc1ccc(OC)c(Cl)c1)Cc1scnc1C ZINC000489468517 566790599 /nfs/dbraw/zinc/79/05/99/566790599.db2.gz IOLXISUPGCEVIJ-UHFFFAOYSA-N 1 2 383.901 3.201 10 0 GGAELO Clc1ccc(Br)cc1C[NH2+]Cc1nnc(C2CCOCC2)[nH]1 ZINC000631212772 566790621 /nfs/dbraw/zinc/79/06/21/566790621.db2.gz GJSOBKSAPALRTN-UHFFFAOYSA-N 1 2 385.693 3.404 10 0 GGAELO COCC[N@H+](CC(=O)N1CCSc2ccccc21)Cc1scnc1C ZINC000489469081 566790734 /nfs/dbraw/zinc/79/07/34/566790734.db2.gz CTWSBOJPDXQWAZ-UHFFFAOYSA-N 1 2 377.535 3.039 10 0 GGAELO COCC[N@@H+](CC(=O)N1CCSc2ccccc21)Cc1scnc1C ZINC000489469081 566790736 /nfs/dbraw/zinc/79/07/36/566790736.db2.gz CTWSBOJPDXQWAZ-UHFFFAOYSA-N 1 2 377.535 3.039 10 0 GGAELO CCO[C@@H](C)c1nc(C[N@H+](C)Cc2cccc(NS(C)(=O)=O)c2)cs1 ZINC000678282882 566791226 /nfs/dbraw/zinc/79/12/26/566791226.db2.gz NOTXZURECKIPBT-ZDUSSCGKSA-N 1 2 383.539 3.244 10 0 GGAELO CCO[C@@H](C)c1nc(C[N@@H+](C)Cc2cccc(NS(C)(=O)=O)c2)cs1 ZINC000678282882 566791231 /nfs/dbraw/zinc/79/12/31/566791231.db2.gz NOTXZURECKIPBT-ZDUSSCGKSA-N 1 2 383.539 3.244 10 0 GGAELO Brc1ccc2[nH+]cc(CNc3ccn(C4CCSCC4)n3)n2c1 ZINC000631202234 566791633 /nfs/dbraw/zinc/79/16/33/566791633.db2.gz HJPCKDPXIOYUGS-UHFFFAOYSA-N 1 2 392.326 3.395 10 0 GGAELO CCn1nc2c(cc1=O)C[N@@H+](Cc1ccc(Br)cc1SC)CC2 ZINC000678284223 566791586 /nfs/dbraw/zinc/79/15/86/566791586.db2.gz MDCKBXYJZANREE-UHFFFAOYSA-N 1 2 394.338 3.306 10 0 GGAELO CCn1nc2c(cc1=O)C[N@H+](Cc1ccc(Br)cc1SC)CC2 ZINC000678284223 566791592 /nfs/dbraw/zinc/79/15/92/566791592.db2.gz MDCKBXYJZANREE-UHFFFAOYSA-N 1 2 394.338 3.306 10 0 GGAELO CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC000469445192 566791669 /nfs/dbraw/zinc/79/16/69/566791669.db2.gz YCUGVZRJLKKMSF-UHFFFAOYSA-N 1 2 383.279 3.481 10 0 GGAELO O=C(NCC[C@H]1CCOC1)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000542299951 566792243 /nfs/dbraw/zinc/79/22/43/566792243.db2.gz AUAZLPCUALVUDH-YOEHRIQHSA-N 1 2 381.314 3.129 10 0 GGAELO Cc1cc(Br)cn2cc(CNC(=O)NC[C@H]3CCC(C)(C)O3)[nH+]c12 ZINC000489522951 566792908 /nfs/dbraw/zinc/79/29/08/566792908.db2.gz RHDMDFURRPPDPQ-CQSZACIVSA-N 1 2 395.301 3.162 10 0 GGAELO Cc1nc(SCCC(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)n[nH]1 ZINC000469484139 566793183 /nfs/dbraw/zinc/79/31/83/566793183.db2.gz PANZHBOBGCYWHA-UHFFFAOYSA-N 1 2 398.330 3.058 10 0 GGAELO Cc1nnc(SCCC(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)[nH]1 ZINC000469484139 566793189 /nfs/dbraw/zinc/79/31/89/566793189.db2.gz PANZHBOBGCYWHA-UHFFFAOYSA-N 1 2 398.330 3.058 10 0 GGAELO Cc1cc(Br)cn2cc(CNC(=O)NC[C@@H]3CCC(C)(C)O3)[nH+]c12 ZINC000489522949 566793975 /nfs/dbraw/zinc/79/39/75/566793975.db2.gz RHDMDFURRPPDPQ-AWEZNQCLSA-N 1 2 395.301 3.162 10 0 GGAELO COc1cc(-c2noc(C[N@H+](C)Cc3cc(Cl)cc(Cl)c3)n2)ncn1 ZINC000562528958 566798280 /nfs/dbraw/zinc/79/82/80/566798280.db2.gz VKQIVVWYSKZTLZ-UHFFFAOYSA-N 1 2 380.235 3.474 10 0 GGAELO COc1cc(-c2noc(C[N@@H+](C)Cc3cc(Cl)cc(Cl)c3)n2)ncn1 ZINC000562528958 566798284 /nfs/dbraw/zinc/79/82/84/566798284.db2.gz VKQIVVWYSKZTLZ-UHFFFAOYSA-N 1 2 380.235 3.474 10 0 GGAELO CCc1ccc(C[NH+]2CCN(C(=O)CSC[C@@H]3CCCCO3)CC2)s1 ZINC000609995166 566799124 /nfs/dbraw/zinc/79/91/24/566799124.db2.gz JCRNQTRIKCZYOZ-INIZCTEOSA-N 1 2 382.595 3.257 10 0 GGAELO NC(=O)[C@H](c1ccc(Br)cc1F)[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000451347718 566800323 /nfs/dbraw/zinc/80/03/23/566800323.db2.gz UQTGIIAZEBGMSK-SIXLDLHFSA-N 1 2 399.304 3.130 10 0 GGAELO NC(=O)[C@H](c1ccc(Br)cc1F)[N@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000451347718 566800327 /nfs/dbraw/zinc/80/03/27/566800327.db2.gz UQTGIIAZEBGMSK-SIXLDLHFSA-N 1 2 399.304 3.130 10 0 GGAELO C[C@@H]([NH2+]Cc1cn(-c2ccccc2Br)nn1)c1cncc(F)c1 ZINC000678581433 566805783 /nfs/dbraw/zinc/80/57/83/566805783.db2.gz XBKFSZNPXPEHHV-LLVKDONJSA-N 1 2 376.233 3.415 10 0 GGAELO O=C(c1ncsc1Br)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000581843586 566808871 /nfs/dbraw/zinc/80/88/71/566808871.db2.gz BGJWYDXVYMWLAT-DAXSKMNVSA-N 1 2 392.322 3.377 10 0 GGAELO CCOC(=O)[C@@H](C)[N@H+](C[C@@H](O)COc1c(Cl)cccc1Cl)C1CC1 ZINC000469710060 566808961 /nfs/dbraw/zinc/80/89/61/566808961.db2.gz KTUSUMYHWODVMH-DGCLKSJQSA-N 1 2 376.280 3.149 10 0 GGAELO CCOC(=O)[C@@H](C)[N@@H+](C[C@@H](O)COc1c(Cl)cccc1Cl)C1CC1 ZINC000469710060 566808964 /nfs/dbraw/zinc/80/89/64/566808964.db2.gz KTUSUMYHWODVMH-DGCLKSJQSA-N 1 2 376.280 3.149 10 0 GGAELO Cc1nsc(C)c1C[NH+]1CCN(Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000517168268 566809404 /nfs/dbraw/zinc/80/94/04/566809404.db2.gz WXBUDDAVVXGRMV-UHFFFAOYSA-N 1 2 375.929 3.379 10 0 GGAELO C[C@@H](c1ccsc1)[NH+]1CCN(S(=O)(=O)C[C@@H]2CCCC2(F)F)CC1 ZINC000451398845 566811327 /nfs/dbraw/zinc/81/13/27/566811327.db2.gz GEMOLFLHENKGOO-ZFWWWQNUSA-N 1 2 378.510 3.192 10 0 GGAELO C[C@H]1CCN(C(=O)NCCc2ccccc2Br)C[C@H]1n1cc[nH+]c1 ZINC000469765358 566812090 /nfs/dbraw/zinc/81/20/90/566812090.db2.gz TVMRDDJLWIDDGO-WMLDXEAASA-N 1 2 391.313 3.481 10 0 GGAELO O=C(Nc1ccc(Cl)cn1)[C@@H]1CCC[N@H+](Cc2nnc(C3CC3)s2)C1 ZINC000562695425 566813339 /nfs/dbraw/zinc/81/33/39/566813339.db2.gz QMEDCQRGGIFUGJ-GFCCVEGCSA-N 1 2 377.901 3.315 10 0 GGAELO O=C(Nc1ccc(Cl)cn1)[C@@H]1CCC[N@@H+](Cc2nnc(C3CC3)s2)C1 ZINC000562695425 566813343 /nfs/dbraw/zinc/81/33/43/566813343.db2.gz QMEDCQRGGIFUGJ-GFCCVEGCSA-N 1 2 377.901 3.315 10 0 GGAELO CN1C(=O)C[C@@H]([NH2+]Cc2nnc(C3CC3)s2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000562700208 566813561 /nfs/dbraw/zinc/81/35/61/566813561.db2.gz KLYMWJOJYFTZMJ-CJNGLKHVSA-N 1 2 380.876 3.270 10 0 GGAELO COC(=O)C(C)(C)[NH+]1CCN(c2cnc3cc(Cl)c(Cl)cc3n2)CC1 ZINC000489894708 566816098 /nfs/dbraw/zinc/81/60/98/566816098.db2.gz ZIDCDINZOUHKJI-UHFFFAOYSA-N 1 2 383.279 3.010 10 0 GGAELO COC(=O)C(C)(C)[NH+]1CCN(c2ccc3cc(Br)ccc3n2)CC1 ZINC000489889212 566816346 /nfs/dbraw/zinc/81/63/46/566816346.db2.gz QIDOILRUVGIQLC-UHFFFAOYSA-N 1 2 392.297 3.071 10 0 GGAELO C[C@H]([NH2+]Cc1nnc(C2CCOCC2)[nH]1)c1cc(Br)ccc1F ZINC000631694392 566816328 /nfs/dbraw/zinc/81/63/28/566816328.db2.gz AQSMMDMFVLPTQT-JTQLQIEISA-N 1 2 383.265 3.451 10 0 GGAELO C[C@H]([NH2+]Cc1c(Br)cnn1C)c1ccc(-n2cncn2)cc1Cl ZINC000631683522 566816508 /nfs/dbraw/zinc/81/65/08/566816508.db2.gz HZHNXLZUXSTYIZ-JTQLQIEISA-N 1 2 395.692 3.268 10 0 GGAELO COC(=O)C(C)(C)[NH+]1CCN(c2ccc3cccc(Br)c3n2)CC1 ZINC000489909220 566817004 /nfs/dbraw/zinc/81/70/04/566817004.db2.gz GWVXJNDQBUZXTP-UHFFFAOYSA-N 1 2 392.297 3.071 10 0 GGAELO Cn1cc[nH+]c1[C@H](NS(=O)(=O)C[C@H]1CCC1(F)F)c1ccc(Cl)cc1 ZINC000631683159 566817138 /nfs/dbraw/zinc/81/71/38/566817138.db2.gz PTSOZLPFBCAVRO-TZMCWYRMSA-N 1 2 389.855 3.128 10 0 GGAELO C[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[N@@H+]1CC[C@@](O)(C(F)F)C1 ZINC000451431140 566817647 /nfs/dbraw/zinc/81/76/47/566817647.db2.gz DPYDAFLQBFALOI-RTHLEPHNSA-N 1 2 386.748 3.388 10 0 GGAELO C[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[N@H+]1CC[C@@](O)(C(F)F)C1 ZINC000451431140 566817653 /nfs/dbraw/zinc/81/76/53/566817653.db2.gz DPYDAFLQBFALOI-RTHLEPHNSA-N 1 2 386.748 3.388 10 0 GGAELO Fc1ccc(Br)c2c1CC[C@@H]2[NH2+]Cc1nnc(C2CCOCC2)[nH]1 ZINC000631695153 566818170 /nfs/dbraw/zinc/81/81/70/566818170.db2.gz ZBIWXBQTSRJCIU-AWEZNQCLSA-N 1 2 395.276 3.377 10 0 GGAELO COC(=O)C(C)(C)N1CCN(c2cc[nH+]c3c(Br)cccc23)CC1 ZINC000489936512 566819355 /nfs/dbraw/zinc/81/93/55/566819355.db2.gz JSTBJAPQGRZYED-UHFFFAOYSA-N 1 2 392.297 3.071 10 0 GGAELO O=S(=O)(C[C@@H]1CCCC1(F)F)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000451447728 566819484 /nfs/dbraw/zinc/81/94/84/566819484.db2.gz RWFLIPMRVCZCLA-AWEZNQCLSA-N 1 2 392.899 3.053 10 0 GGAELO O=S(=O)(C[C@@H]1CCCC1(F)F)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000451447728 566819488 /nfs/dbraw/zinc/81/94/88/566819488.db2.gz RWFLIPMRVCZCLA-AWEZNQCLSA-N 1 2 392.899 3.053 10 0 GGAELO C[C@H]([NH2+]Cc1c(Cl)cccc1OC(F)F)c1cccc(S(N)(=O)=O)c1 ZINC000631772400 566824035 /nfs/dbraw/zinc/82/40/35/566824035.db2.gz FEXDLAUVUUSQJE-JTQLQIEISA-N 1 2 390.839 3.440 10 0 GGAELO Cc1cc(C[NH+]2CCN([C@H](C)c3ccc(Br)cc3)CC2)ncn1 ZINC000428248494 566826776 /nfs/dbraw/zinc/82/67/76/566826776.db2.gz SEIICJKQJFVDGM-OAHLLOKOSA-N 1 2 375.314 3.426 10 0 GGAELO Cc1cc(C[NH+]2CCN([C@@H](C)c3ccc(Br)cc3)CC2)ncn1 ZINC000428248492 566826884 /nfs/dbraw/zinc/82/68/84/566826884.db2.gz SEIICJKQJFVDGM-HNNXBMFYSA-N 1 2 375.314 3.426 10 0 GGAELO COCC[N@H+](CC(=O)Nc1c(Cl)cc(Cl)cc1Cl)[C@@H]1CCOC1 ZINC000490039729 566827398 /nfs/dbraw/zinc/82/73/98/566827398.db2.gz JQHUUEXXIXVIRY-LLVKDONJSA-N 1 2 381.687 3.323 10 0 GGAELO COCC[N@@H+](CC(=O)Nc1c(Cl)cc(Cl)cc1Cl)[C@@H]1CCOC1 ZINC000490039729 566827406 /nfs/dbraw/zinc/82/74/06/566827406.db2.gz JQHUUEXXIXVIRY-LLVKDONJSA-N 1 2 381.687 3.323 10 0 GGAELO C[C@@H]([NH2+][C@@H]1CCCn2nccc21)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000631810557 566828190 /nfs/dbraw/zinc/82/81/90/566828190.db2.gz VRTNORGLSMMOJQ-NOZJJQNGSA-N 1 2 389.308 3.023 10 0 GGAELO COCC[N@H+](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[C@@H]1CCOC1 ZINC000490075167 566828467 /nfs/dbraw/zinc/82/84/67/566828467.db2.gz WNRFNUQHZPWYCB-GFCCVEGCSA-N 1 2 380.794 3.035 10 0 GGAELO COCC[N@@H+](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[C@@H]1CCOC1 ZINC000490075167 566828474 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O=C(N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000613306265 567028982 /nfs/dbraw/zinc/02/89/82/567028982.db2.gz YNBBMDGVERBNEN-RYUDHWBXSA-N 1 2 379.291 3.217 10 0 GGAELO NC(=O)c1ncc(Br)cc1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC000472492662 567029860 /nfs/dbraw/zinc/02/98/60/567029860.db2.gz CDGHVXHBBGBJPX-UHFFFAOYSA-N 1 2 376.258 3.072 10 0 GGAELO CC(C)(C)CC(=O)N1CCN(Cc2cn3cc(Br)ccc3[nH+]2)CC1 ZINC000613307954 567030067 /nfs/dbraw/zinc/03/00/67/567030067.db2.gz UXVXYNIKAWRDJZ-UHFFFAOYSA-N 1 2 393.329 3.177 10 0 GGAELO O=C(NCCOCC(F)F)[C@H](c1c(F)cccc1Cl)[NH+]1CCCCC1 ZINC000472507654 567033108 /nfs/dbraw/zinc/03/31/08/567033108.db2.gz UZNDSTFKUKFIGS-INIZCTEOSA-N 1 2 378.822 3.404 10 0 GGAELO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N[C@@H](CO)c3ccsc3)n2)C1 ZINC000545325318 567038055 /nfs/dbraw/zinc/03/80/55/567038055.db2.gz WWJAMJBZWBQQPM-WFASDCNBSA-N 1 2 380.539 3.292 10 0 GGAELO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N[C@@H](CO)c3ccsc3)n2)C1 ZINC000545325318 567038058 /nfs/dbraw/zinc/03/80/58/567038058.db2.gz WWJAMJBZWBQQPM-WFASDCNBSA-N 1 2 380.539 3.292 10 0 GGAELO Cc1nc2ccc(S(=O)(=O)N3CC(C)(C)[C@@H]3c3[nH+]ccn3C)cc2s1 ZINC000584392267 567038164 /nfs/dbraw/zinc/03/81/64/567038164.db2.gz MAHMYIFYGHZAHZ-HNNXBMFYSA-N 1 2 376.507 3.110 10 0 GGAELO COC[C@H](CSc1nnc([C@@H](C)[NH+](C)C)n1-c1ccc(Cl)cc1)OC ZINC000657226027 567038270 /nfs/dbraw/zinc/03/82/70/567038270.db2.gz SHWJMIGUHSAFFY-IUODEOHRSA-N 1 2 384.933 3.297 10 0 GGAELO O=C(Cc1ccc(Br)cc1O)N1CC[NH+](Cc2cccs2)CC1 ZINC000430882634 567039162 /nfs/dbraw/zinc/03/91/62/567039162.db2.gz MRLQCKMVDDIBSA-UHFFFAOYSA-N 1 2 395.322 3.103 10 0 GGAELO CC1(C2CC2)CC[NH+](Cc2nnnn2-c2ccccc2Br)CC1 ZINC000565124978 567039952 /nfs/dbraw/zinc/03/99/52/567039952.db2.gz OLFJUUGMIOEUTB-UHFFFAOYSA-N 1 2 376.302 3.437 10 0 GGAELO Clc1sccc1Cn1nnc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000657248230 567041581 /nfs/dbraw/zinc/04/15/81/567041581.db2.gz FXXJZKPRBYALLP-HNNXBMFYSA-N 1 2 375.885 3.010 10 0 GGAELO Clc1sccc1Cn1nnc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000657248230 567041590 /nfs/dbraw/zinc/04/15/90/567041590.db2.gz FXXJZKPRBYALLP-HNNXBMFYSA-N 1 2 375.885 3.010 10 0 GGAELO CCC[N@@H+](Cc1c(Br)cnn1C)C[C@@H]1COc2ccccc2O1 ZINC000495054087 567041634 /nfs/dbraw/zinc/04/16/34/567041634.db2.gz RAWOQFBAGPEXNQ-CYBMUJFWSA-N 1 2 380.286 3.235 10 0 GGAELO CCC[N@H+](Cc1c(Br)cnn1C)C[C@@H]1COc2ccccc2O1 ZINC000495054087 567041643 /nfs/dbraw/zinc/04/16/43/567041643.db2.gz RAWOQFBAGPEXNQ-CYBMUJFWSA-N 1 2 380.286 3.235 10 0 GGAELO Cc1ccn([C@@H](C)CC(=O)NCc2cn3cc(Br)cc(C)c3[nH+]2)n1 ZINC000613504363 567042029 /nfs/dbraw/zinc/04/20/29/567042029.db2.gz PHDKZVMJVVKALH-ZDUSSCGKSA-N 1 2 390.285 3.178 10 0 GGAELO C[C@@H]1CC(c2cccc(Br)c2)=NN(CCCn2cc[nH+]c2)C1=O ZINC000634633858 567042747 /nfs/dbraw/zinc/04/27/47/567042747.db2.gz IASCTRVGSYRXQM-CYBMUJFWSA-N 1 2 375.270 3.308 10 0 GGAELO O=C1C[N@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)Cc2ccccc2N1 ZINC000565169377 567044774 /nfs/dbraw/zinc/04/47/74/567044774.db2.gz 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ZINC000613584806 567048345 /nfs/dbraw/zinc/04/83/45/567048345.db2.gz MMPQMUJFHCPURD-OZAJXLCCSA-N 1 2 394.364 3.356 10 0 GGAELO CCC1(CC)C[N@@H+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC[S@@]1=O ZINC000613584806 567048351 /nfs/dbraw/zinc/04/83/51/567048351.db2.gz MMPQMUJFHCPURD-OZAJXLCCSA-N 1 2 394.364 3.356 10 0 GGAELO O=C(C[NH2+]Cc1c(F)cncc1Br)N1CCCc2ccccc21 ZINC000657332877 567049242 /nfs/dbraw/zinc/04/92/42/567049242.db2.gz SOJYFHZBZRCTEH-UHFFFAOYSA-N 1 2 378.245 3.052 10 0 GGAELO Cn1ncc(Br)c1C[NH+]1CCC(CN2CCc3ccccc32)CC1 ZINC000495162619 567050229 /nfs/dbraw/zinc/05/02/29/567050229.db2.gz BGWRMQHMTXBUDW-UHFFFAOYSA-N 1 2 389.341 3.457 10 0 GGAELO C[C@@H](CNC(=O)[C@H](C)[NH2+][C@H](C)c1ncc(Br)cn1)c1ccccc1 ZINC000431084607 567051435 /nfs/dbraw/zinc/05/14/35/567051435.db2.gz HDNIQIWVTAXCLA-MJBXVCDLSA-N 1 2 391.313 3.198 10 0 GGAELO C[C@H]([NH2+][C@@H](C)c1ncc(Br)cn1)C(=O)NCCC1=CCCCC1 ZINC000431079219 567051453 /nfs/dbraw/zinc/05/14/53/567051453.db2.gz YAVCUXOPOOHFNZ-STQMWFEESA-N 1 2 381.318 3.285 10 0 GGAELO Fc1ccc(N2CCOCC2)c(C[NH2+]Cc2c(F)cncc2Br)c1 ZINC000657373567 567052668 /nfs/dbraw/zinc/05/26/68/567052668.db2.gz ZGBUJMOUMPKGEA-UHFFFAOYSA-N 1 2 398.251 3.249 10 0 GGAELO COc1ccc(C)cc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ncc(Br)cn1 ZINC000431078384 567052625 /nfs/dbraw/zinc/05/26/25/567052625.db2.gz TZTNJLNVASXYOP-NWDGAFQWSA-N 1 2 393.285 3.234 10 0 GGAELO C[C@@H](CNC(=O)[C@H](C)[NH2+][C@@H](C)c1ncc(Br)cn1)c1ccccc1 ZINC000431084603 567052794 /nfs/dbraw/zinc/05/27/94/567052794.db2.gz HDNIQIWVTAXCLA-IHRRRGAJSA-N 1 2 391.313 3.198 10 0 GGAELO CC(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ncc(Br)cn2)c1 ZINC000431095140 567053222 /nfs/dbraw/zinc/05/32/22/567053222.db2.gz DNWVKLMCDDGHHP-QWRGUYRKSA-N 1 2 391.269 3.120 10 0 GGAELO Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ncc(Br)cn1 ZINC000431092634 567053531 /nfs/dbraw/zinc/05/35/31/567053531.db2.gz CVUYFITWMPPPLQ-MELADBBJSA-N 1 2 391.313 3.464 10 0 GGAELO CCN(C(=O)[C@@H](C)[NH2+][C@H](C)c1ncc(Br)cn1)c1ccccc1 ZINC000431098820 567053553 /nfs/dbraw/zinc/05/35/53/567053553.db2.gz DMRRCRHHZWGNAI-CHWSQXEVSA-N 1 2 377.286 3.331 10 0 GGAELO CCc1ccccc1NC(=O)[C@H](C)[NH2+][C@H](C)c1ncc(Br)cn1 ZINC000431088500 567053620 /nfs/dbraw/zinc/05/36/20/567053620.db2.gz DOEKXVGMNJOXQC-NEPJUHHUSA-N 1 2 377.286 3.479 10 0 GGAELO CCc1ccccc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ncc(Br)cn1 ZINC000431088503 567053801 /nfs/dbraw/zinc/05/38/01/567053801.db2.gz DOEKXVGMNJOXQC-VXGBXAGGSA-N 1 2 377.286 3.479 10 0 GGAELO CCOc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ncc(Br)cn2)cc1 ZINC000431087945 567054023 /nfs/dbraw/zinc/05/40/23/567054023.db2.gz RHPLMXFFCZJCAJ-NEPJUHHUSA-N 1 2 393.285 3.316 10 0 GGAELO Brc1ccc(-c2nnc(C[NH2+]Cc3ccnn3CC3CC3)[nH]2)cc1 ZINC000657389957 567054335 /nfs/dbraw/zinc/05/43/35/567054335.db2.gz PRZHKQGXLBYNAY-UHFFFAOYSA-N 1 2 387.285 3.131 10 0 GGAELO C[C@@H]([NH2+][C@H]1CCCN(c2ccccc2F)C1=O)c1ncc(Br)cn1 ZINC000431111691 567055149 /nfs/dbraw/zinc/05/51/49/567055149.db2.gz MKZUIAMWQHHAGO-RISCZKNCSA-N 1 2 393.260 3.224 10 0 GGAELO C[C@@H]([NH2+][C@H](C)c1ncc(Br)cn1)C(=O)N(C)Cc1cccc(F)c1 ZINC000431102430 567055170 /nfs/dbraw/zinc/05/51/70/567055170.db2.gz LSPYOADIGPDYKC-VXGBXAGGSA-N 1 2 395.276 3.076 10 0 GGAELO CN1CCCC[C@H]([N@H+](C)Cc2nc(-c3ccc(Br)s3)no2)C1=O ZINC000634740116 567055289 /nfs/dbraw/zinc/05/52/89/567055289.db2.gz OZPPMERENQXRRX-JTQLQIEISA-N 1 2 399.314 3.003 10 0 GGAELO CN1CCCC[C@H]([N@@H+](C)Cc2nc(-c3ccc(Br)s3)no2)C1=O ZINC000634740116 567055293 /nfs/dbraw/zinc/05/52/93/567055293.db2.gz OZPPMERENQXRRX-JTQLQIEISA-N 1 2 399.314 3.003 10 0 GGAELO Cc1ccccc1CN(C)C(=O)[C@H](C)[NH2+][C@@H](C)c1ncc(Br)cn1 ZINC000431109621 567055333 /nfs/dbraw/zinc/05/53/33/567055333.db2.gz RNDYSLUEKGUSQD-KBPBESRZSA-N 1 2 391.313 3.245 10 0 GGAELO C[C@@H]1C[N@H+](CCNC(=O)c2ccc3scc(Br)c3c2)CCO1 ZINC000584570317 567056087 /nfs/dbraw/zinc/05/60/87/567056087.db2.gz SDECKIBXZZOHHH-LLVKDONJSA-N 1 2 383.311 3.114 10 0 GGAELO C[C@@H]1C[N@@H+](CCNC(=O)c2ccc3scc(Br)c3c2)CCO1 ZINC000584570317 567056093 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COC(=O)c1ccc2c(c1)[C@@H]([NH2+]Cc1nn(C)cc1Br)CCC2 ZINC000594506216 567482451 /nfs/dbraw/zinc/48/24/51/567482451.db2.gz MSYDNHDBLQIVCL-HNNXBMFYSA-N 1 2 378.270 3.136 10 0 GGAELO O=C(c1c(Cl)cc(F)cc1Cl)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000619883727 567484505 /nfs/dbraw/zinc/48/45/05/567484505.db2.gz VBEJYGJSSJSFPJ-UHFFFAOYSA-N 1 2 375.271 3.317 10 0 GGAELO CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NCc1c[nH+]c[nH]1 ZINC000478828545 567485821 /nfs/dbraw/zinc/48/58/21/567485821.db2.gz QGJHLJNQFMENGP-OAHLLOKOSA-N 1 2 383.279 3.177 10 0 GGAELO CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NCc1c[nH]c[nH+]1 ZINC000478828545 567485828 /nfs/dbraw/zinc/48/58/28/567485828.db2.gz QGJHLJNQFMENGP-OAHLLOKOSA-N 1 2 383.279 3.177 10 0 GGAELO C[N@H+](CC(=O)Nc1nc2c(s1)CCC2)Cc1cccc(Br)c1 ZINC000551221702 567489804 /nfs/dbraw/zinc/48/98/04/567489804.db2.gz WZWOUNATXLSFIN-UHFFFAOYSA-N 1 2 380.311 3.465 10 0 GGAELO C[N@@H+](CC(=O)Nc1nc2c(s1)CCC2)Cc1cccc(Br)c1 ZINC000551221702 567489806 /nfs/dbraw/zinc/48/98/06/567489806.db2.gz 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567499057 /nfs/dbraw/zinc/49/90/57/567499057.db2.gz RMRLUJOAXHECDT-BQFCYCMXSA-N 1 2 393.325 3.081 10 0 GGAELO Cc1nc(N2CCC(c3nnc4ccccn43)CC2)c(Br)c(C)[nH+]1 ZINC000663352735 567500005 /nfs/dbraw/zinc/50/00/05/567500005.db2.gz YBQHHJKQIWXURF-UHFFFAOYSA-N 1 2 387.285 3.283 10 0 GGAELO Cn1nccc1[C@H]1C[C@@H](Nc2[nH+]ccc3cc(Br)ccc32)CCO1 ZINC000570686624 567505330 /nfs/dbraw/zinc/50/53/30/567505330.db2.gz LLENODANJVAEDY-WMLDXEAASA-N 1 2 387.281 3.485 10 0 GGAELO CC[C@H](Cc1ccc(Br)cc1)NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000620338136 567514508 /nfs/dbraw/zinc/51/45/08/567514508.db2.gz KZAKAKHJNOFEMM-DZGCQCFKSA-N 1 2 376.298 3.415 10 0 GGAELO CC[C@H](Cc1ccc(Br)cc1)NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000620338136 567514513 /nfs/dbraw/zinc/51/45/13/567514513.db2.gz KZAKAKHJNOFEMM-DZGCQCFKSA-N 1 2 376.298 3.415 10 0 GGAELO CC[C@H](Cc1ccc(Br)cc1)NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000620338138 567514649 /nfs/dbraw/zinc/51/46/49/567514649.db2.gz KZAKAKHJNOFEMM-UKRRQHHQSA-N 1 2 376.298 3.415 10 0 GGAELO CC[C@H](Cc1ccc(Br)cc1)NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000620338138 567514653 /nfs/dbraw/zinc/51/46/53/567514653.db2.gz KZAKAKHJNOFEMM-UKRRQHHQSA-N 1 2 376.298 3.415 10 0 GGAELO CN(C)c1c(Cl)cccc1NC(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000551548865 567515740 /nfs/dbraw/zinc/51/57/40/567515740.db2.gz HVFDHGZWNLMJJA-UHFFFAOYSA-N 1 2 375.782 3.487 10 0 GGAELO O=C(Cc1c(F)ccc(Br)c1F)NCCc1cn2c([nH+]1)CCCC2 ZINC000503973206 567516767 /nfs/dbraw/zinc/51/67/67/567516767.db2.gz CUIDPYGKTPVBQF-UHFFFAOYSA-N 1 2 398.251 3.162 10 0 GGAELO CC[C@H](Cc1ccc(Br)cc1)NC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000620340551 567517271 /nfs/dbraw/zinc/51/72/71/567517271.db2.gz XKDQHCRNQMDNOQ-QGZVFWFLSA-N 1 2 395.341 3.141 10 0 GGAELO O=C([C@H]1CCc2cc(Br)ccc21)N1CCN(c2cccc[nH+]2)CC1 ZINC000570846332 567517974 /nfs/dbraw/zinc/51/79/74/567517974.db2.gz VFJIWHDWQKEYRG-KRWDZBQOSA-N 1 2 386.293 3.223 10 0 GGAELO CC[C@@H]1C[N@H+](Cc2cccc(I)c2)C[C@@]2(CCOC2)O1 ZINC000551583501 567520789 /nfs/dbraw/zinc/52/07/89/567520789.db2.gz 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ZINC000529527560 567524954 /nfs/dbraw/zinc/52/49/54/567524954.db2.gz ORERFFIRRAUUJS-GFCCVEGCSA-N 1 2 395.352 3.281 10 0 GGAELO CC(C)Oc1cc(Cl)c(CN2CC[NH+](CC[S@](C)=O)CC2)cc1Cl ZINC000529529881 567525738 /nfs/dbraw/zinc/52/57/38/567525738.db2.gz OSPYTCBOWWLHFH-DEOSSOPVSA-N 1 2 393.380 3.277 10 0 GGAELO CC(C)Oc1cc(Cl)c(C[N@@H+]2CCc3nn(C)c(=O)cc3C2)cc1Cl ZINC000529527765 567525780 /nfs/dbraw/zinc/52/57/80/567525780.db2.gz CGFYENBAUHPDIA-UHFFFAOYSA-N 1 2 382.291 3.433 10 0 GGAELO CC(C)Oc1cc(Cl)c(C[N@H+]2CCc3nn(C)c(=O)cc3C2)cc1Cl ZINC000529527765 567525784 /nfs/dbraw/zinc/52/57/84/567525784.db2.gz CGFYENBAUHPDIA-UHFFFAOYSA-N 1 2 382.291 3.433 10 0 GGAELO CC(C)Oc1cc(Cl)c(C[N@@H+]2CCC[C@H](CS(N)(=O)=O)C2)cc1Cl ZINC000529527562 567526070 /nfs/dbraw/zinc/52/60/70/567526070.db2.gz ORERFFIRRAUUJS-LBPRGKRZSA-N 1 2 395.352 3.281 10 0 GGAELO CC(C)Oc1cc(Cl)c(C[N@H+]2CCC[C@H](CS(N)(=O)=O)C2)cc1Cl ZINC000529527562 567526073 /nfs/dbraw/zinc/52/60/73/567526073.db2.gz ORERFFIRRAUUJS-LBPRGKRZSA-N 1 2 395.352 3.281 10 0 GGAELO CC(C)Oc1cc(Cl)c(C[N@@H+]2CCC[C@H]2CS(N)(=O)=O)cc1Cl ZINC000529533021 567526831 /nfs/dbraw/zinc/52/68/31/567526831.db2.gz LPQSCWXLHXZGJP-LBPRGKRZSA-N 1 2 381.325 3.034 10 0 GGAELO CC(C)Oc1cc(Cl)c(C[N@H+]2CCC[C@H]2CS(N)(=O)=O)cc1Cl ZINC000529533021 567526833 /nfs/dbraw/zinc/52/68/33/567526833.db2.gz LPQSCWXLHXZGJP-LBPRGKRZSA-N 1 2 381.325 3.034 10 0 GGAELO Clc1cc(I)ccc1C[NH2+]Cc1cc2n(n1)CCC2 ZINC000594935344 567527623 /nfs/dbraw/zinc/52/76/23/567527623.db2.gz CXOLYMXXUNJJDU-UHFFFAOYSA-N 1 2 387.652 3.377 10 0 GGAELO Clc1ccc(C[NH2+]Cc2cc3n(n2)CCC3)c(I)c1 ZINC000594939129 567527742 /nfs/dbraw/zinc/52/77/42/567527742.db2.gz PNOYFUQCLVMTAC-UHFFFAOYSA-N 1 2 387.652 3.377 10 0 GGAELO CC[N@H+](Cc1cn(C)nn1)Cc1c[nH]nc1-c1ccc(Br)s1 ZINC000529541949 567528661 /nfs/dbraw/zinc/52/86/61/567528661.db2.gz NQGMLCARNBQRJM-UHFFFAOYSA-N 1 2 381.303 3.051 10 0 GGAELO CC[N@@H+](Cc1cn(C)nn1)Cc1c[nH]nc1-c1ccc(Br)s1 ZINC000529541949 567528668 /nfs/dbraw/zinc/52/86/68/567528668.db2.gz NQGMLCARNBQRJM-UHFFFAOYSA-N 1 2 381.303 3.051 10 0 GGAELO O=C(N[C@@H]1CCOc2c(Br)cccc21)c1cc(-n2cc[nH+]c2)ccn1 ZINC000504318263 567530014 /nfs/dbraw/zinc/53/00/14/567530014.db2.gz XEWXUBAENCRFHB-OAHLLOKOSA-N 1 2 399.248 3.283 10 0 GGAELO O=C(NCCCCc1ccc(Cl)s1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000551746441 567532370 /nfs/dbraw/zinc/53/23/70/567532370.db2.gz VFVLLQHRWDXDOJ-UHFFFAOYSA-N 1 2 376.869 3.127 10 0 GGAELO Cc1cc(S(=O)(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)c(C)s1 ZINC000479414002 567533145 /nfs/dbraw/zinc/53/31/45/567533145.db2.gz CGMUQOGWZZLASI-WBVHZDCISA-N 1 2 386.489 3.367 10 0 GGAELO Cc1cc(S(=O)(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)c(C)s1 ZINC000479414002 567533151 /nfs/dbraw/zinc/53/31/51/567533151.db2.gz CGMUQOGWZZLASI-WBVHZDCISA-N 1 2 386.489 3.367 10 0 GGAELO C[N@@H+]1CC[C@@H](NS(=O)(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000479410306 567533479 /nfs/dbraw/zinc/53/34/79/567533479.db2.gz QZJOZOGMVWETSB-SJORKVTESA-N 1 2 386.851 3.342 10 0 GGAELO C[N@H+]1CC[C@@H](NS(=O)(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000479410306 567533484 /nfs/dbraw/zinc/53/34/84/567533484.db2.gz QZJOZOGMVWETSB-SJORKVTESA-N 1 2 386.851 3.342 10 0 GGAELO CC(C)Oc1cc(Cl)c(C[N@H+](C)[C@@H]2CCN(S(C)(=O)=O)C2)cc1Cl ZINC000529583207 567533932 /nfs/dbraw/zinc/53/39/32/567533932.db2.gz XXFQNJRJOZCULZ-CYBMUJFWSA-N 1 2 395.352 3.246 10 0 GGAELO CC(C)Oc1cc(Cl)c(C[N@@H+](C)[C@@H]2CCN(S(C)(=O)=O)C2)cc1Cl ZINC000529583207 567533936 /nfs/dbraw/zinc/53/39/36/567533936.db2.gz XXFQNJRJOZCULZ-CYBMUJFWSA-N 1 2 395.352 3.246 10 0 GGAELO CCn1nc(C)c(CNc2[nH]c3ccc(I)cc3[nH+]2)c1C ZINC000595001179 567534132 /nfs/dbraw/zinc/53/41/32/567534132.db2.gz RLCLWRWJORTQTF-UHFFFAOYSA-N 1 2 395.248 3.035 10 0 GGAELO CCn1nc(C)c(CNc2[nH]c3cc(I)ccc3[nH+]2)c1C ZINC000595001179 567534138 /nfs/dbraw/zinc/53/41/38/567534138.db2.gz RLCLWRWJORTQTF-UHFFFAOYSA-N 1 2 395.248 3.035 10 0 GGAELO COc1ncc(C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)cc1Cl ZINC000551771946 567534219 /nfs/dbraw/zinc/53/42/19/567534219.db2.gz YHIVJNLZMCMOSR-UHFFFAOYSA-N 1 2 380.275 3.185 10 0 GGAELO COc1ncc(C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)cc1Cl ZINC000551771946 567534228 /nfs/dbraw/zinc/53/42/28/567534228.db2.gz YHIVJNLZMCMOSR-UHFFFAOYSA-N 1 2 380.275 3.185 10 0 GGAELO CCNS(=O)(=O)c1cccc(C[NH2+]Cc2ccsc2Br)c1 ZINC000529608567 567534867 /nfs/dbraw/zinc/53/48/67/567534867.db2.gz NYYULLRXIUGDIX-UHFFFAOYSA-N 1 2 389.340 3.099 10 0 GGAELO C[C@H]([NH2+][C@@H](CO)c1ccsc1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479456548 567537766 /nfs/dbraw/zinc/53/77/66/567537766.db2.gz PVTCOAFPNGJORJ-SDBXPKJASA-N 1 2 395.333 3.087 10 0 GGAELO COC(=O)c1ccc(C[N@@H+]2C[C@@]3(CCOC3)OC(C)(C)C2)c(Br)c1 ZINC000551823009 567538250 /nfs/dbraw/zinc/53/82/50/567538250.db2.gz ODMRUZMIJMGWLX-GOSISDBHSA-N 1 2 398.297 3.006 10 0 GGAELO COC(=O)c1ccc(C[N@H+]2C[C@@]3(CCOC3)OC(C)(C)C2)c(Br)c1 ZINC000551823009 567538252 /nfs/dbraw/zinc/53/82/52/567538252.db2.gz ODMRUZMIJMGWLX-GOSISDBHSA-N 1 2 398.297 3.006 10 0 GGAELO Cc1cc(Br)c(C[N@@H+](C)[C@]2(CO)CCOC2)cc1Br ZINC000529630830 567538400 /nfs/dbraw/zinc/53/84/00/567538400.db2.gz RDTXYEDRYCTXFY-AWEZNQCLSA-N 1 2 393.119 3.103 10 0 GGAELO Cc1cc(Br)c(C[N@H+](C)[C@]2(CO)CCOC2)cc1Br ZINC000529630830 567538404 /nfs/dbraw/zinc/53/84/04/567538404.db2.gz RDTXYEDRYCTXFY-AWEZNQCLSA-N 1 2 393.119 3.103 10 0 GGAELO CCc1ccc(S(=O)(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)s1 ZINC000479490785 567538851 /nfs/dbraw/zinc/53/88/51/567538851.db2.gz VTOIHMKVOSGYIY-DOTOQJQBSA-N 1 2 386.489 3.312 10 0 GGAELO CCc1ccc(S(=O)(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)s1 ZINC000479490785 567538857 /nfs/dbraw/zinc/53/88/57/567538857.db2.gz VTOIHMKVOSGYIY-DOTOQJQBSA-N 1 2 386.489 3.312 10 0 GGAELO Cc1cc(Br)cn2cc(CCNC(=O)N[C@H]3[C@@H]4CCC[C@@H]43)[nH+]c12 ZINC000571115279 567539028 /nfs/dbraw/zinc/53/90/28/567539028.db2.gz UNZFGKUDIVSSKT-FICVDOATSA-N 1 2 377.286 3.045 10 0 GGAELO CCc1ccc(S(=O)(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)s1 ZINC000479490790 567539584 /nfs/dbraw/zinc/53/95/84/567539584.db2.gz VTOIHMKVOSGYIY-RDJZCZTQSA-N 1 2 386.489 3.312 10 0 GGAELO CCc1ccc(S(=O)(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)s1 ZINC000479490790 567539590 /nfs/dbraw/zinc/53/95/90/567539590.db2.gz VTOIHMKVOSGYIY-RDJZCZTQSA-N 1 2 386.489 3.312 10 0 GGAELO CN(C(=O)[C@H]1CCn2c[nH+]cc2C1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000438629610 567539545 /nfs/dbraw/zinc/53/95/45/567539545.db2.gz VGFBXTKCZMYUIO-BLLLJJGKSA-N 1 2 390.281 3.190 10 0 GGAELO CC(=O)NCC[N@H+](Cc1ccc(Br)s1)Cc1nc(C)ccc1O ZINC000504547282 567539858 /nfs/dbraw/zinc/53/98/58/567539858.db2.gz QJJJWCAQJVWTMT-UHFFFAOYSA-N 1 2 398.326 3.058 10 0 GGAELO CC(=O)NCC[N@@H+](Cc1ccc(Br)s1)Cc1nc(C)ccc1O ZINC000504547282 567539861 /nfs/dbraw/zinc/53/98/61/567539861.db2.gz QJJJWCAQJVWTMT-UHFFFAOYSA-N 1 2 398.326 3.058 10 0 GGAELO C[C@H]([NH2+][C@H]1C[C@@H](C)n2ncnc21)c1ccc(F)c(I)c1 ZINC000595065582 567540820 /nfs/dbraw/zinc/54/08/20/567540820.db2.gz HRNYSSLWORPHEN-ZDMBXUJBSA-N 1 2 386.212 3.378 10 0 GGAELO CCn1c(C[NH2+][C@H](C(N)=O)c2ccccc2)nc2cc(Br)ccc21 ZINC000479520577 567541533 /nfs/dbraw/zinc/54/15/33/567541533.db2.gz XUUZTSXPNRPDPY-KRWDZBQOSA-N 1 2 387.281 3.135 10 0 GGAELO COc1ncc(Br)cc1Cn1c2ccccc2[nH+]c1NC[C@H](C)O ZINC000663920456 567541560 /nfs/dbraw/zinc/54/15/60/567541560.db2.gz CXDUDPUNXWDIOB-NSHDSACASA-N 1 2 391.269 3.043 10 0 GGAELO Cc1nc(N2C[C@@H](c3ccccc3)[C@](F)(CO)C2)c(Br)c(C)[nH+]1 ZINC000663954833 567544427 /nfs/dbraw/zinc/54/44/27/567544427.db2.gz CWGZMAVGVQMMFG-WMLDXEAASA-N 1 2 380.261 3.160 10 0 GGAELO COCCOc1ccc(Br)cc1NC(=O)c1ccc2[nH+]ccn2c1 ZINC000479624006 567548460 /nfs/dbraw/zinc/54/84/60/567548460.db2.gz QMRBNZRGYNAMAJ-UHFFFAOYSA-N 1 2 390.237 3.374 10 0 GGAELO CCOC(=O)c1nc(C[NH2+][C@](C)(CO)c2ccc(Br)cc2)cs1 ZINC000552004579 567549517 /nfs/dbraw/zinc/54/95/17/567549517.db2.gz YMOLWHGBQWMHQF-MRXNPFEDSA-N 1 2 399.310 3.080 10 0 GGAELO O=C(NC/C=C/c1ccc(Br)cc1)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000571278308 567550032 /nfs/dbraw/zinc/55/00/32/567550032.db2.gz 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ZINC000552083565 567555793 /nfs/dbraw/zinc/55/57/93/567555793.db2.gz MOOYHASJDDSGDF-LBPRGKRZSA-N 1 2 390.260 3.474 10 0 GGAELO C[C@@H](CC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(F)c(Br)c1 ZINC000571373063 567557982 /nfs/dbraw/zinc/55/79/82/567557982.db2.gz UVOCVINYVNQVHQ-CMPLNLGQSA-N 1 2 380.261 3.479 10 0 GGAELO C[C@@H](CC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)c1ccc(F)c(Br)c1 ZINC000571373063 567557989 /nfs/dbraw/zinc/55/79/89/567557989.db2.gz UVOCVINYVNQVHQ-CMPLNLGQSA-N 1 2 380.261 3.479 10 0 GGAELO CSc1c(C(=O)N2CC[NH+]([C@@H](C)c3ccc(Cl)cc3)CC2)cnn1C ZINC000479795188 567559967 /nfs/dbraw/zinc/55/99/67/567559967.db2.gz GPQVKUDZNDJJEN-ZDUSSCGKSA-N 1 2 378.929 3.314 10 0 GGAELO COC(=O)[C@H](c1ccccc1Br)[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000595388512 567560507 /nfs/dbraw/zinc/56/05/07/567560507.db2.gz HGCPPBDJKROHKG-VBQJREDUSA-N 1 2 382.298 3.412 10 0 GGAELO COC(=O)[C@H](c1ccccc1Br)[N@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000595388512 567560511 /nfs/dbraw/zinc/56/05/11/567560511.db2.gz HGCPPBDJKROHKG-VBQJREDUSA-N 1 2 382.298 3.412 10 0 GGAELO COC(=O)CC[C@H](C(=O)OC)[NH+]1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000595386418 567560777 /nfs/dbraw/zinc/56/07/77/567560777.db2.gz FTPZCNPXZMNRMM-MRXNPFEDSA-N 1 2 385.913 3.391 10 0 GGAELO CCOC(=O)CN(Cc1cn(C)c[nH+]1)[C@H](C)c1cccc(Br)c1 ZINC000595396495 567560888 /nfs/dbraw/zinc/56/08/88/567560888.db2.gz MOPCMZXOLMNYJP-CYBMUJFWSA-N 1 2 380.286 3.309 10 0 GGAELO COC(=O)[C@@H](c1ccccc1Br)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000595391889 567561023 /nfs/dbraw/zinc/56/10/23/567561023.db2.gz HAUHHTIFLMWLAU-MRXNPFEDSA-N 1 2 378.270 3.266 10 0 GGAELO Cc1cc(Br)cn2cc(CCNC(=O)N3CC[C@H]3C3CC3)[nH+]c12 ZINC000458660998 567561813 /nfs/dbraw/zinc/56/18/13/567561813.db2.gz MNUGBTUOMQXFIO-HNNXBMFYSA-N 1 2 377.286 3.142 10 0 GGAELO COC(=O)CC[C@@H](C(=O)OC)[N@H+]1CC=C(c2cccc(Br)c2)CC1 ZINC000595435923 567564184 /nfs/dbraw/zinc/56/41/84/567564184.db2.gz YBHVLZXLWUHRAZ-INIZCTEOSA-N 1 2 396.281 3.033 10 0 GGAELO COC(=O)CC[C@@H](C(=O)OC)[N@@H+]1CC=C(c2cccc(Br)c2)CC1 ZINC000595435923 567564188 /nfs/dbraw/zinc/56/41/88/567564188.db2.gz YBHVLZXLWUHRAZ-INIZCTEOSA-N 1 2 396.281 3.033 10 0 GGAELO CC[C@@H](NC(=O)NCCc1cn(C)c[nH+]1)c1cc(F)cc(Br)c1 ZINC000458677648 567564766 /nfs/dbraw/zinc/56/47/66/567564766.db2.gz PNXCIUSDBGIPQQ-OAHLLOKOSA-N 1 2 383.265 3.315 10 0 GGAELO Cn1ncc2c1nc(N[C@H]1CSCc3ccc(Br)cc31)[nH+]c2N ZINC000664362509 567565280 /nfs/dbraw/zinc/56/52/80/567565280.db2.gz WWGPHATVRNTBSA-LBPRGKRZSA-N 1 2 391.298 3.108 10 0 GGAELO Cc1nc(-c2ccc(Cl)s2)sc1C(=O)NCc1c[nH+]c(C)nc1N ZINC000552183194 567565804 /nfs/dbraw/zinc/56/58/04/567565804.db2.gz GCWDYDGWWFEODC-UHFFFAOYSA-N 1 2 379.898 3.274 10 0 GGAELO COC(=O)C[C@](C)([NH2+]Cc1cc(OC)no1)c1ccc(Br)cc1 ZINC000595483778 567566553 /nfs/dbraw/zinc/56/65/53/567566553.db2.gz LXVNHJVNWQLSJT-INIZCTEOSA-N 1 2 383.242 3.014 10 0 GGAELO Cc1[nH+]ccc(NS(=O)(=O)c2cccc(OC(F)(F)F)c2F)c1Cl ZINC000644635031 567567347 /nfs/dbraw/zinc/56/73/47/567567347.db2.gz BBKVDRYYYAZGOX-UHFFFAOYSA-N 1 2 384.738 3.304 10 0 GGAELO Cc1cc(Br)c(CNc2cc(N3CC[C@H]([C@@H](C)O)C3)nc[nH+]2)s1 ZINC000664401106 567567655 /nfs/dbraw/zinc/56/76/55/567567655.db2.gz JTDNGLPPDMGUCJ-NEPJUHHUSA-N 1 2 397.342 3.428 10 0 GGAELO Cc1cc(Br)c(CNc2cc(N3CC[C@H]([C@@H](C)O)C3)[nH+]cn2)s1 ZINC000664401106 567567660 /nfs/dbraw/zinc/56/76/60/567567660.db2.gz JTDNGLPPDMGUCJ-NEPJUHHUSA-N 1 2 397.342 3.428 10 0 GGAELO COc1cc(C[NH+]2CCC(C(=O)N[C@H](C)C(C)C)CC2)c(Br)cn1 ZINC000621253006 567568778 /nfs/dbraw/zinc/56/87/78/567568778.db2.gz MRQMNSCNGASYTM-CYBMUJFWSA-N 1 2 398.345 3.225 10 0 GGAELO C[C@@H]1CO[C@@H](C(F)(F)F)C[N@@H+]1CCC(=O)Nc1ccccc1Br ZINC000664431700 567569440 /nfs/dbraw/zinc/56/94/40/567569440.db2.gz JFCCJKBQLSRSLP-ZWNOBZJWSA-N 1 2 395.219 3.429 10 0 GGAELO C[C@@H]1CO[C@@H](C(F)(F)F)C[N@H+]1CCC(=O)Nc1ccccc1Br ZINC000664431700 567569444 /nfs/dbraw/zinc/56/94/44/567569444.db2.gz JFCCJKBQLSRSLP-ZWNOBZJWSA-N 1 2 395.219 3.429 10 0 GGAELO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+][C@H](C)c1cscn1 ZINC000571539102 567569994 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GGAELO O=C(CC(F)(F)F)NC[C@H]1CCC[N@H+](Cc2ncc(C(F)(F)F)s2)C1 ZINC000571602800 567575476 /nfs/dbraw/zinc/57/54/76/567575476.db2.gz YFUPLYIKCFADQT-SECBINFHSA-N 1 2 389.365 3.443 10 0 GGAELO O=C(CC(F)(F)F)NC[C@H]1CCC[N@@H+](Cc2ncc(C(F)(F)F)s2)C1 ZINC000571602800 567575480 /nfs/dbraw/zinc/57/54/80/567575480.db2.gz YFUPLYIKCFADQT-SECBINFHSA-N 1 2 389.365 3.443 10 0 GGAELO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@H+](Cc2cn3cc(Cl)ccc3n2)C1 ZINC000595628620 567575648 /nfs/dbraw/zinc/57/56/48/567575648.db2.gz PDNVNVLZJYLDOY-MNOVXSKESA-N 1 2 375.778 3.161 10 0 GGAELO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@@H+](Cc2cn3cc(Cl)ccc3n2)C1 ZINC000595628620 567575652 /nfs/dbraw/zinc/57/56/52/567575652.db2.gz PDNVNVLZJYLDOY-MNOVXSKESA-N 1 2 375.778 3.161 10 0 GGAELO COC(=O)[C@@H]1OCC[C@@H]1[NH2+][C@H](C)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000595660640 567577208 /nfs/dbraw/zinc/57/72/08/567577208.db2.gz CKNKGNJZBPOZFX-OXHMUOHRSA-N 1 2 386.235 3.025 10 0 GGAELO CCOC(=O)c1c2c(sc1NC(=O)C[NH2+][C@@H](C)c1cscn1)CCC2 ZINC000595669199 567577270 /nfs/dbraw/zinc/57/72/70/567577270.db2.gz SWQWEVUNCGYBEM-JTQLQIEISA-N 1 2 379.507 3.159 10 0 GGAELO COCCC1CN(C(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000644767544 567578005 /nfs/dbraw/zinc/57/80/05/567578005.db2.gz ILCKXHLXQRNJPV-QGZVFWFLSA-N 1 2 381.314 3.081 10 0 GGAELO C[C@@]1(Br)C[C@@H]1c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000530157272 567578285 /nfs/dbraw/zinc/57/82/85/567578285.db2.gz CJDHTTDEJKHVTH-RHSMWYFYSA-N 1 2 378.270 3.210 10 0 GGAELO C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)[N@H+](C)Cc1cnc(N(C)C)nc1 ZINC000505478270 567578322 /nfs/dbraw/zinc/57/83/22/567578322.db2.gz BARSYWBIKPMXOT-LLVKDONJSA-N 1 2 382.295 3.308 10 0 GGAELO C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)[N@@H+](C)Cc1cnc(N(C)C)nc1 ZINC000505478270 567578324 /nfs/dbraw/zinc/57/83/24/567578324.db2.gz BARSYWBIKPMXOT-LLVKDONJSA-N 1 2 382.295 3.308 10 0 GGAELO C[C@]1(Br)C[C@@H]1c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000530157270 567578777 /nfs/dbraw/zinc/57/87/77/567578777.db2.gz CJDHTTDEJKHVTH-PBHICJAKSA-N 1 2 378.270 3.210 10 0 GGAELO CS(=O)(=O)c1nnc(C[NH2+]C2(c3ccc(C(F)(F)F)cc3)CCC2)s1 ZINC000621351093 567580981 /nfs/dbraw/zinc/58/09/81/567580981.db2.gz FBPHDHJZDVTVNP-UHFFFAOYSA-N 1 2 391.440 3.129 10 0 GGAELO O=S1(=O)Cc2ccccc2[C@@H]([NH2+]Cc2cc(F)ccc2Br)C1 ZINC000621356517 567581266 /nfs/dbraw/zinc/58/12/66/567581266.db2.gz PCFHFMJZYBDRGQ-INIZCTEOSA-N 1 2 384.270 3.348 10 0 GGAELO COc1ccc(C[NH2+][C@@H]2CS(=O)(=O)Cc3ccccc32)cc1Br ZINC000621358209 567581298 /nfs/dbraw/zinc/58/12/98/567581298.db2.gz BCXWVCAIVXQNKG-MRXNPFEDSA-N 1 2 396.306 3.217 10 0 GGAELO NC(=O)c1cc(F)ccc1N1CC[NH+](Cc2cc(Br)cs2)CC1 ZINC000621384421 567583012 /nfs/dbraw/zinc/58/30/12/567583012.db2.gz GZLZLIAMNUOERC-UHFFFAOYSA-N 1 2 398.301 3.071 10 0 GGAELO Cc1cc[nH+]cc1N1CCN(C(=O)Nc2ccc(Br)c(C)n2)CC1 ZINC000439384584 567583175 /nfs/dbraw/zinc/58/31/75/567583175.db2.gz HGZFLRGVHVYQBU-UHFFFAOYSA-N 1 2 390.285 3.210 10 0 GGAELO Clc1cc(I)ccc1C[N@@H+]1CC[C@H]2COC[C@H]2C1 ZINC000595827867 567585407 /nfs/dbraw/zinc/58/54/07/567585407.db2.gz SUJQJCDJGCFCMS-NWDGAFQWSA-N 1 2 377.653 3.413 10 0 GGAELO Clc1cc(I)ccc1C[N@H+]1CC[C@H]2COC[C@H]2C1 ZINC000595827867 567585408 /nfs/dbraw/zinc/58/54/08/567585408.db2.gz SUJQJCDJGCFCMS-NWDGAFQWSA-N 1 2 377.653 3.413 10 0 GGAELO Cc1cc(Br)cn2cc(CCNC(=O)N3CC(CC4CC4)C3)[nH+]c12 ZINC000621505188 567589578 /nfs/dbraw/zinc/58/95/78/567589578.db2.gz XSCWKQCXQTVDOA-UHFFFAOYSA-N 1 2 391.313 3.389 10 0 GGAELO COC(=O)c1sc2c(c1Br)CN(Cc1cc(OC)cc[nH+]1)C2 ZINC000595909864 567591657 /nfs/dbraw/zinc/59/16/57/567591657.db2.gz UKRMVNHYLHCAOB-UHFFFAOYSA-N 1 2 383.267 3.217 10 0 GGAELO Cc1c(Br)cncc1-c1nc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1 ZINC000664822900 567591955 /nfs/dbraw/zinc/59/19/55/567591955.db2.gz XQCREQNUGICIPV-BXUZGUMPSA-N 1 2 379.258 3.128 10 0 GGAELO Cc1c(Br)cncc1-c1nc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)no1 ZINC000664822900 567591960 /nfs/dbraw/zinc/59/19/60/567591960.db2.gz XQCREQNUGICIPV-BXUZGUMPSA-N 1 2 379.258 3.128 10 0 GGAELO Cn1c[nH+]cc1Cc1noc(-c2cc(Br)cc(N3CCCC3)c2)n1 ZINC000664822718 567592206 /nfs/dbraw/zinc/59/22/06/567592206.db2.gz BRWWLDKYCDFSFW-UHFFFAOYSA-N 1 2 388.269 3.424 10 0 GGAELO Cc1c(Br)cncc1-c1nc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)no1 ZINC000664822908 567592288 /nfs/dbraw/zinc/59/22/88/567592288.db2.gz XQCREQNUGICIPV-SMDDNHRTSA-N 1 2 379.258 3.128 10 0 GGAELO Cc1c(Br)cncc1-c1nc([C@H]2C[N@H+]3CCCC[C@H]3CO2)no1 ZINC000664822908 567592293 /nfs/dbraw/zinc/59/22/93/567592293.db2.gz XQCREQNUGICIPV-SMDDNHRTSA-N 1 2 379.258 3.128 10 0 GGAELO COC(=O)c1cnc([C@H]2CCC[N@H+](Cc3cnc(OC)c(Cl)c3)C2)s1 ZINC000595920662 567592975 /nfs/dbraw/zinc/59/29/75/567592975.db2.gz PZODQXHVZAEXOU-LBPRGKRZSA-N 1 2 381.885 3.366 10 0 GGAELO COC(=O)c1cnc([C@H]2CCC[N@@H+](Cc3cnc(OC)c(Cl)c3)C2)s1 ZINC000595920662 567592983 /nfs/dbraw/zinc/59/29/83/567592983.db2.gz PZODQXHVZAEXOU-LBPRGKRZSA-N 1 2 381.885 3.366 10 0 GGAELO C[C@H](NC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1)C1CC1 ZINC000505711772 567592944 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CC1(C)Cc2n[nH]cc2C[N@@H+](CC(=O)Nc2ccc(Br)cc2)C1 ZINC000664866158 567596264 /nfs/dbraw/zinc/59/62/64/567596264.db2.gz AYTFSQIVOCCLDQ-UHFFFAOYSA-N 1 2 377.286 3.195 10 0 GGAELO CC1(C)Cc2n[nH]cc2C[N@H+](CC(=O)Nc2ccc(Br)cc2)C1 ZINC000664866158 567596269 /nfs/dbraw/zinc/59/62/69/567596269.db2.gz AYTFSQIVOCCLDQ-UHFFFAOYSA-N 1 2 377.286 3.195 10 0 GGAELO Cn1ncc2c1CC(C)(C)C[N@H+](Cc1cn3cc(Br)ccc3n1)C2 ZINC000664873912 567596700 /nfs/dbraw/zinc/59/67/00/567596700.db2.gz NDYHKMWQPJMADD-UHFFFAOYSA-N 1 2 388.313 3.415 10 0 GGAELO Cn1ncc2c1CC(C)(C)C[N@@H+](Cc1cn3cc(Br)ccc3n1)C2 ZINC000664873912 567596707 /nfs/dbraw/zinc/59/67/07/567596707.db2.gz NDYHKMWQPJMADD-UHFFFAOYSA-N 1 2 388.313 3.415 10 0 GGAELO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)N1CC(Oc2cccc(Cl)c2Cl)C1 ZINC000664925858 567600360 /nfs/dbraw/zinc/60/03/60/567600360.db2.gz DOZPNLMNBMCEIA-JTQLQIEISA-N 1 2 381.263 3.047 10 0 GGAELO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)N1CC(Oc2cccc(Cl)c2Cl)C1 ZINC000664925858 567600363 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O=C(Nc1nnc(SCc2cccs2)s1)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000621706500 567605852 /nfs/dbraw/zinc/60/58/52/567605852.db2.gz WIMISMXWMHSUOZ-SECBINFHSA-N 1 2 377.520 3.359 10 0 GGAELO O=C(Nc1nnc(SCc2cccs2)s1)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000621706500 567605864 /nfs/dbraw/zinc/60/58/64/567605864.db2.gz WIMISMXWMHSUOZ-SECBINFHSA-N 1 2 377.520 3.359 10 0 GGAELO COc1cc(C[NH2+][C@H]2CS(=O)(=O)Cc3ccccc32)cc(Cl)c1OC ZINC000621735898 567606500 /nfs/dbraw/zinc/60/65/00/567606500.db2.gz UDBHCNPRKCVTEJ-INIZCTEOSA-N 1 2 381.881 3.117 10 0 GGAELO COc1ccc(C[NH2+][C@H]2CS(=O)(=O)Cc3ccccc32)c(Cl)c1OC ZINC000621735421 567606716 /nfs/dbraw/zinc/60/67/16/567606716.db2.gz IWZCQRTVBAZASH-HNNXBMFYSA-N 1 2 381.881 3.117 10 0 GGAELO O=S1(=O)Cc2ccccc2[C@H]([NH2+]Cc2cccc(Br)c2F)C1 ZINC000621735864 567607571 /nfs/dbraw/zinc/60/75/71/567607571.db2.gz SSNGHSIPICCAES-OAHLLOKOSA-N 1 2 384.270 3.348 10 0 GGAELO COC(=O)Cc1cc[nH+]c(N2CCO[C@H](c3cccc(Br)c3)C2)c1 ZINC000596097314 567608041 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C[C@H]([NH2+][C@H](c1ccc(Br)cc1)C(F)F)[C@H](C)N1CCOCC1 ZINC000621751231 567609114 /nfs/dbraw/zinc/60/91/14/567609114.db2.gz CCLIZRQTPCVWHF-SLEUVZQESA-N 1 2 377.273 3.454 10 0 GGAELO COCCO[C@@H]1COCC[C@H]1[NH2+][C@H](c1ccc(Br)cc1)C(F)F ZINC000621760630 567609961 /nfs/dbraw/zinc/60/99/61/567609961.db2.gz OVIQWKYGAGKVRM-RBSFLKMASA-N 1 2 394.256 3.165 10 0 GGAELO COc1ccc(Br)cc1C1(NC(=O)N[C@@H](C)Cn2cc[nH+]c2)CC1 ZINC000645178923 567610035 /nfs/dbraw/zinc/61/00/35/567610035.db2.gz YVDBSLVGNROUSZ-LBPRGKRZSA-N 1 2 393.285 3.031 10 0 GGAELO CC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ncc(Br)cn2)c2ccccc21 ZINC000621762798 567610417 /nfs/dbraw/zinc/61/04/17/567610417.db2.gz KWBRTCCZKOPYSW-IAQYHMDHSA-N 1 2 375.270 3.388 10 0 GGAELO CNC(=O)Cc1nc(C[NH2+][C@@H](C)c2ccc(F)c(Br)c2)cs1 ZINC000645197019 567611570 /nfs/dbraw/zinc/61/15/70/567611570.db2.gz XDSMGXMATOCQLO-VIFPVBQESA-N 1 2 386.290 3.184 10 0 GGAELO COC(=O)Cc1cc[nH+]c(NC[C@@H](C)Oc2cccc(Br)c2)c1 ZINC000596141539 567611575 /nfs/dbraw/zinc/61/15/75/567611575.db2.gz LUJCBGUENGWJFJ-GFCCVEGCSA-N 1 2 379.254 3.439 10 0 GGAELO CSc1cccc(F)c1CNC(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000572067625 567611727 /nfs/dbraw/zinc/61/17/27/567611727.db2.gz OVFWONRJHVKKNO-UHFFFAOYSA-N 1 2 376.379 3.306 10 0 GGAELO Oc1c(F)cc(-c2noc(Cn3c[nH+]c4c3CCCC4)n2)cc1Br ZINC000621808527 567612313 /nfs/dbraw/zinc/61/23/13/567612313.db2.gz MKIZGGWZZUHVSQ-UHFFFAOYSA-N 1 2 393.216 3.467 10 0 GGAELO CCOC(=O)C1CC[NH+](Cc2cc(Br)c(O)c(OCC)c2)CC1 ZINC000459295947 567612598 /nfs/dbraw/zinc/61/25/98/567612598.db2.gz MDZSOVUPBDLNFO-UHFFFAOYSA-N 1 2 386.286 3.329 10 0 GGAELO C[C@H]1C[C@@H](NS(=O)(=O)c2cccc(Br)c2Cl)c2[nH+]ccn21 ZINC000572091478 567612536 /nfs/dbraw/zinc/61/25/36/567612536.db2.gz IEFJDZHIPCGDRB-WCBMZHEXSA-N 1 2 390.690 3.283 10 0 GGAELO CCOc1cc(C[N@@H+]2CCC[C@@H](NC(=O)CC)C2)cc(Br)c1O ZINC000459307985 567613115 /nfs/dbraw/zinc/61/31/15/567613115.db2.gz AVYQIBOYISWAPL-CYBMUJFWSA-N 1 2 385.302 3.044 10 0 GGAELO CCOC(=O)c1sc([C@@H](C)Nc2nc(C)[nH+]c(C)c2Br)nc1C ZINC000596156185 567613000 /nfs/dbraw/zinc/61/30/00/567613000.db2.gz GPBSIBCQWKOQDQ-SECBINFHSA-N 1 2 399.314 3.393 10 0 GGAELO CCOc1cc(C[N@H+]2CCC[C@@H](NC(=O)CC)C2)cc(Br)c1O ZINC000459307985 567613121 /nfs/dbraw/zinc/61/31/21/567613121.db2.gz AVYQIBOYISWAPL-CYBMUJFWSA-N 1 2 385.302 3.044 10 0 GGAELO COC(=O)Cc1cc[nH+]c(NC[C@H](C)Oc2ccccc2Br)c1 ZINC000596151131 567613403 /nfs/dbraw/zinc/61/34/03/567613403.db2.gz OIFXNOUNBHHSCE-LBPRGKRZSA-N 1 2 379.254 3.439 10 0 GGAELO COC(=O)Cc1cc[nH+]c(N2CCc3cc(Br)cc(F)c3C2)c1 ZINC000596184947 567614003 /nfs/dbraw/zinc/61/40/03/567614003.db2.gz LBJMJJVFCLMWFO-UHFFFAOYSA-N 1 2 379.229 3.261 10 0 GGAELO COC(=O)Cc1cc[nH+]c(N(C)Cc2cc(OC)ccc2Br)c1 ZINC000596209179 567616089 /nfs/dbraw/zinc/61/60/89/567616089.db2.gz BNEREFTUSHJUQY-UHFFFAOYSA-N 1 2 379.254 3.205 10 0 GGAELO Oc1cccc(C[N@@H+]2CCCN(Cc3cscn3)CC2)c1Br ZINC000459334649 567617173 /nfs/dbraw/zinc/61/71/73/567617173.db2.gz GKSHOOULJXXVSE-UHFFFAOYSA-N 1 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CSc1ccccc1NC(=O)C[NH+]1CCC(C(=O)N2CCCCCC2)CC1 ZINC000012797261 570716771 /nfs/dbraw/zinc/71/67/71/570716771.db2.gz NCWTWBOXUPGQCE-UHFFFAOYSA-N 1 2 389.565 3.462 10 0 GGAELO COc1ccc(C[NH+]2CCN(Cc3nnc(Cc4ccccc4)o3)CC2)cc1F ZINC000058218819 570721358 /nfs/dbraw/zinc/72/13/58/570721358.db2.gz SLXFVOFFYZJERN-UHFFFAOYSA-N 1 2 396.466 3.126 10 0 GGAELO O=C(NC[C@H]1CCCO1)c1ccc(-c2ccc(N3CCSCC3)[nH+]c2)cc1 ZINC000065178285 570723860 /nfs/dbraw/zinc/72/38/60/570723860.db2.gz JMVXPAOQSLGFPH-LJQANCHMSA-N 1 2 383.517 3.211 10 0 GGAELO COc1ccc(C[N@@H+](Cc2nc3ccccc3c(=O)[nH]2)C[C@H]2CCCO2)cc1F ZINC000058368712 570729275 /nfs/dbraw/zinc/72/92/75/570729275.db2.gz AQNSKBPUYHYQKT-MRXNPFEDSA-N 1 2 397.450 3.252 10 0 GGAELO COc1ccc(C[N@H+](Cc2nc3ccccc3c(=O)[nH]2)C[C@H]2CCCO2)cc1F ZINC000058368712 570729277 /nfs/dbraw/zinc/72/92/77/570729277.db2.gz AQNSKBPUYHYQKT-MRXNPFEDSA-N 1 2 397.450 3.252 10 0 GGAELO COc1ccccc1COC[C@@H](O)C[N@@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000058439357 570734088 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ZINC000052870660 1406209577 /nfs/dbraw/zinc/20/95/77/1406209577.db2.gz BMBMSQGGSRONCQ-UONOGXRCSA-N 1 2 399.894 3.037 10 0 GGAELO CCOC(=O)N[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N(C)Cc2c(F)cccc2Cl)C1 ZINC000052870660 1406209595 /nfs/dbraw/zinc/20/95/95/1406209595.db2.gz BMBMSQGGSRONCQ-UONOGXRCSA-N 1 2 399.894 3.037 10 0 GGAELO COc1ccc(OC)c(CCNC(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)c1 ZINC000057618115 1407668880 /nfs/dbraw/zinc/66/88/80/1407668880.db2.gz DREUSIQMEGQQKI-UHFFFAOYSA-N 1 2 387.480 3.108 10 0 GGAELO CC(C)OC(=O)CCNC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000061572425 1408149140 /nfs/dbraw/zinc/14/91/40/1408149140.db2.gz GLYWIWXAWKZMIN-INIZCTEOSA-N 1 2 399.894 3.257 10 0 GGAELO COc1ccc(C[N@@H+]2CCc3oc(C)c(C(=O)NC[C@H]4CCCO4)c3C2)cc1 ZINC000065289712 1408659715 /nfs/dbraw/zinc/65/97/15/1408659715.db2.gz BAKQWVVWLVEGSU-GOSISDBHSA-N 1 2 384.476 3.064 10 0 GGAELO COc1ccc(C[N@H+]2CCc3oc(C)c(C(=O)NC[C@H]4CCCO4)c3C2)cc1 ZINC000065289712 1408659718 /nfs/dbraw/zinc/65/97/18/1408659718.db2.gz BAKQWVVWLVEGSU-GOSISDBHSA-N 1 2 384.476 3.064 10 0 GGAELO C[C@@H]1C[NH+](Cc2ccc(CNCc3nc4ccccc4n3C)cc2)C[C@@H](C)O1 ZINC000066971275 1408968947 /nfs/dbraw/zinc/96/89/47/1408968947.db2.gz DJKOJCIRMVGOJE-QZTJIDSGSA-N 1 2 378.520 3.472 10 0 GGAELO COC(=O)c1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2CCc3ccc(OC)cc3C2)c1 ZINC000067462744 1409126777 /nfs/dbraw/zinc/12/67/77/1409126777.db2.gz IFIPFZGWTYVJDY-HNNXBMFYSA-N 1 2 382.460 3.176 10 0 GGAELO COC(=O)c1ccc(C)c(NC(=O)[C@H](C)[N@H+]2CCc3ccc(OC)cc3C2)c1 ZINC000067462744 1409126789 /nfs/dbraw/zinc/12/67/89/1409126789.db2.gz IFIPFZGWTYVJDY-HNNXBMFYSA-N 1 2 382.460 3.176 10 0 GGAELO Cc1noc(C)c1[C@H](C)C(=O)N1CC[NH+](CCOc2ccc3c(c2)CCC3)CC1 ZINC000069792321 1409700942 /nfs/dbraw/zinc/70/09/42/1409700942.db2.gz UEWOGKLQJKOCGF-INIZCTEOSA-N 1 2 397.519 3.107 10 0 GGAELO Cc1cc(/C=C(/C#N)C(=O)NCCn2cc[nH+]c2)c(C)n1-c1ccc(F)cc1 ZINC000070752379 1409766433 /nfs/dbraw/zinc/76/64/33/1409766433.db2.gz HVSWJLFKSBSRTC-PDGQHHTCSA-N 1 2 377.423 3.153 10 0 GGAELO 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ZINC000103180140 1410834703 /nfs/dbraw/zinc/83/47/03/1410834703.db2.gz XAODDDQNQTTWFU-UHFFFAOYSA-N 1 2 377.492 3.382 10 0 GGAELO COC(=O)c1cc(F)ccc1C[NH+]1CCC(NC(=O)C2CCCCC2)CC1 ZINC000103471084 1410861337 /nfs/dbraw/zinc/86/13/37/1410861337.db2.gz TZMQOBIGBUEJRN-UHFFFAOYSA-N 1 2 376.472 3.273 10 0 GGAELO Cc1noc([C@@H](C)N2CC[NH+](Cc3ccccc3Oc3cccnc3)CC2)n1 ZINC000106131257 1411172994 /nfs/dbraw/zinc/17/29/94/1411172994.db2.gz MSWARBKGQLSPQG-MRXNPFEDSA-N 1 2 379.464 3.444 10 0 GGAELO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000108785857 1411610345 /nfs/dbraw/zinc/61/03/45/1411610345.db2.gz GRBTXNIBWYWBGW-QZNHQXDQSA-N 1 2 396.556 3.267 10 0 GGAELO COc1ccc(OC)c(CCNC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)c1 ZINC000108815370 1411620847 /nfs/dbraw/zinc/62/08/47/1411620847.db2.gz FPKRNERYFVEOMP-UHFFFAOYSA-N 1 2 398.507 3.131 10 0 GGAELO CC[NH+](CC)Cc1nc(C2(NC(=O)CC[C@H]3CCCCO3)CCCC2)no1 ZINC000110662118 1411862798 /nfs/dbraw/zinc/86/27/98/1411862798.db2.gz FVHHOFCQTKUMIZ-MRXNPFEDSA-N 1 2 378.517 3.146 10 0 GGAELO CC[NH+](CC)Cc1nc(C2(NC(=O)CC[C@@H]3CCCCO3)CCCC2)no1 ZINC000110662116 1411862878 /nfs/dbraw/zinc/86/28/78/1411862878.db2.gz FVHHOFCQTKUMIZ-INIZCTEOSA-N 1 2 378.517 3.146 10 0 GGAELO Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+]CC(=O)NCCc1ccccc1 ZINC000111400515 1411942596 /nfs/dbraw/zinc/94/25/96/1411942596.db2.gz GPPMAZJRXQXGKX-UHFFFAOYSA-N 1 2 382.895 3.283 10 0 GGAELO CC[NH+](CC)Cc1nc(C2(NC(=O)CO[C@H]3CCC[C@H](C)C3)CCCC2)no1 ZINC000112631385 1412182681 /nfs/dbraw/zinc/18/26/81/1412182681.db2.gz GELZUSDOJANROW-IRXDYDNUSA-N 1 2 392.544 3.392 10 0 GGAELO CNC(=O)c1cccc(C[NH+]2CCN(Cc3csc(C(C)(C)C)n3)CC2)c1 ZINC000113929726 1412353489 /nfs/dbraw/zinc/35/34/89/1412353489.db2.gz BOGYLSGBPVINFJ-UHFFFAOYSA-N 1 2 386.565 3.118 10 0 GGAELO COc1cccc([C@@H](O)C[NH+]2CCN(c3ncc(Cl)cc3Cl)CC2)c1 ZINC000115536251 1412704557 /nfs/dbraw/zinc/70/45/57/1412704557.db2.gz YHRSUSIEQOIPKN-KRWDZBQOSA-N 1 2 382.291 3.253 10 0 GGAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)N[C@H]2CCC[C@H]2c2ccccc2)CC1 ZINC000115682427 1412759529 /nfs/dbraw/zinc/75/95/29/1412759529.db2.gz HZYDNKYARQYKKU-UNMCSNQZSA-N 1 2 395.551 3.200 10 0 GGAELO Cc1cccn2c(CNc3ccc(NC(=O)[C@@H](C)n4cncn4)cc3)c[nH+]c12 ZINC000119195859 1413372693 /nfs/dbraw/zinc/37/26/93/1413372693.db2.gz DJJPHKHPMQJBFX-OAHLLOKOSA-N 1 2 375.436 3.046 10 0 GGAELO Cc1cccn2c(CNc3ccc(NC(=O)[C@H](C)n4cncn4)cc3)c[nH+]c12 ZINC000119195975 1413372739 /nfs/dbraw/zinc/37/27/39/1413372739.db2.gz DJJPHKHPMQJBFX-HNNXBMFYSA-N 1 2 375.436 3.046 10 0 GGAELO Fc1cccc(Cc2nn(CN3CC[C@@H](Oc4cc[nH+]cc4)C3)c(=S)o2)c1 ZINC000120994254 1413971702 /nfs/dbraw/zinc/97/17/02/1413971702.db2.gz DGPPQBDTQUIGHO-QGZVFWFLSA-N 1 2 386.452 3.441 10 0 GGAELO O=C1c2cc(Cl)c(Cl)cc2C(=O)N1CN1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000121045621 1413988248 /nfs/dbraw/zinc/98/82/48/1413988248.db2.gz FOOZTENHVRGMHQ-GFCCVEGCSA-N 1 2 392.242 3.095 10 0 GGAELO Fc1cc(F)cc(-c2nc(=S)n(CN3CC[C@@H](Oc4cc[nH+]cc4)C3)[nH]2)c1 ZINC000121229311 1414051311 /nfs/dbraw/zinc/05/13/11/1414051311.db2.gz CMBOJTCWZPEDJM-MRXNPFEDSA-N 1 2 389.431 3.392 10 0 GGAELO C[C@H]1CCN(C(=O)c2nn(-c3ccccc3)c3c2CCC3)C[C@H]1n1cc[nH+]c1 ZINC000123446477 1414734393 /nfs/dbraw/zinc/73/43/93/1414734393.db2.gz BPTWEIPRHMSUMU-OXJNMPFZSA-N 1 2 375.476 3.281 10 0 GGAELO COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]c1ccc(N2CCNC(=O)C2)cc1)CC3 ZINC000123547787 1414770109 /nfs/dbraw/zinc/77/01/09/1414770109.db2.gz DVHDUNMPTZUVPV-MRXNPFEDSA-N 1 2 390.487 3.082 10 0 GGAELO CCCCOc1cccc(NC(=O)C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000177707819 1428839013 /nfs/dbraw/zinc/83/90/13/1428839013.db2.gz GKAOMRHTHKUVCJ-APWZRJJASA-N 1 2 384.480 3.110 10 0 GGAELO C[C@H]1CCN(C(=O)C(=O)Nc2ccc(SC(F)F)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000177708991 1428839401 /nfs/dbraw/zinc/83/94/01/1428839401.db2.gz HLBFOUZQZWHDSO-WFASDCNBSA-N 1 2 394.447 3.246 10 0 GGAELO C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(SC(F)F)cc2)C[C@H]1n1cc[nH+]c1 ZINC000177709007 1428839606 /nfs/dbraw/zinc/83/96/06/1428839606.db2.gz HLBFOUZQZWHDSO-IUODEOHRSA-N 1 2 394.447 3.246 10 0 GGAELO C[C@@H]1CCN(C(=O)CCNC(=O)c2ccc(C(C)(C)C)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000123915593 1414848930 /nfs/dbraw/zinc/84/89/30/1414848930.db2.gz AMFDINMXUGWJSS-XLIONFOSSA-N 1 2 396.535 3.410 10 0 GGAELO Cc1cc([C@@H]2CN(C(=O)NCc3cc[nH+]c(N4CCCC4)c3)CCO2)ccc1F ZINC000124429527 1414965981 /nfs/dbraw/zinc/96/59/81/1414965981.db2.gz NDYYWHXDGVTFHK-FQEVSTJZSA-N 1 2 398.482 3.412 10 0 GGAELO CC1CCN(c2nn(C[N@H+](C)CC3CCOCC3)c(=S)n2C2CC2)CC1 ZINC000124722528 1415029696 /nfs/dbraw/zinc/02/96/96/1415029696.db2.gz GBCKQRKSLCCUKI-UHFFFAOYSA-N 1 2 379.574 3.301 10 0 GGAELO CC1CCN(c2nn(C[N@@H+](C)CC3CCOCC3)c(=S)n2C2CC2)CC1 ZINC000124722528 1415029699 /nfs/dbraw/zinc/02/96/99/1415029699.db2.gz GBCKQRKSLCCUKI-UHFFFAOYSA-N 1 2 379.574 3.301 10 0 GGAELO Cc1nn(C)c2nc(C3CC3)cc(C(=O)N3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)c12 ZINC000124793762 1415045508 /nfs/dbraw/zinc/04/55/08/1415045508.db2.gz BBNBHLLLRYLGFP-SCLBCKFNSA-N 1 2 378.480 3.074 10 0 GGAELO CCn1c(CCNC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)nc2ccccc21 ZINC000177802483 1428861490 /nfs/dbraw/zinc/86/14/90/1428861490.db2.gz CJKILJMWSNORHP-VQIMIIECSA-N 1 2 380.496 3.088 10 0 GGAELO C[C@@H]1CCN(C(=O)CCNC(=O)c2ccc3ccccc3c2)C[C@@H]1n1cc[nH+]c1 ZINC000125560263 1415226351 /nfs/dbraw/zinc/22/63/51/1415226351.db2.gz DNQGUVGHEITUHR-UTKZUKDTSA-N 1 2 390.487 3.266 10 0 GGAELO C[C@H]1CCN(C(=O)CCNC(=O)c2ccc3ccccc3c2)C[C@H]1n1cc[nH+]c1 ZINC000125560940 1415226908 /nfs/dbraw/zinc/22/69/08/1415226908.db2.gz DNQGUVGHEITUHR-LAUBAEHRSA-N 1 2 390.487 3.266 10 0 GGAELO CCCc1nc(C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)nn1-c1ccccc1F ZINC000125712156 1415259645 /nfs/dbraw/zinc/25/96/45/1415259645.db2.gz HSGIFAXESYKOBG-QAPCUYQASA-N 1 2 396.470 3.279 10 0 GGAELO CC(=O)Nc1cccc(NC(=O)[C@H](C)[NH+]2CCN(c3cccc(C)c3C)CC2)c1 ZINC000125922033 1415313941 /nfs/dbraw/zinc/31/39/41/1415313941.db2.gz AWSHUYUEAZJUAN-SFHVURJKSA-N 1 2 394.519 3.411 10 0 GGAELO Oc1ccc(Br)c(CNC[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000126258336 1415396444 /nfs/dbraw/zinc/39/64/44/1415396444.db2.gz DJMDVSNBPLUNCD-SFHVURJKSA-N 1 2 391.309 3.145 10 0 GGAELO Oc1ccc(Br)c(CNC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000126258336 1415396446 /nfs/dbraw/zinc/39/64/46/1415396446.db2.gz DJMDVSNBPLUNCD-SFHVURJKSA-N 1 2 391.309 3.145 10 0 GGAELO CC(C)[C@H](C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)S(=O)(=O)C1CCCCC1 ZINC000126284594 1415403521 /nfs/dbraw/zinc/40/35/21/1415403521.db2.gz CDGMWKVMSAXXRM-BHIYHBOVSA-N 1 2 395.569 3.065 10 0 GGAELO COc1cc(OC)c(OC)cc1/C=C/C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000126340039 1415421898 /nfs/dbraw/zinc/42/18/98/1415421898.db2.gz CMKLMHUOCZSPKX-KAWBWNIXSA-N 1 2 385.464 3.032 10 0 GGAELO CSCc1nc2ccccc2n1CC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000126398653 1415438235 /nfs/dbraw/zinc/43/82/35/1415438235.db2.gz FWMHHOSNJOLYMP-YJBOKZPZSA-N 1 2 383.521 3.206 10 0 GGAELO COc1c(C)c[nH+]c(CNC(=O)C(O)(c2ccccc2)c2ccccc2)c1C ZINC000126648473 1415516145 /nfs/dbraw/zinc/51/61/45/1415516145.db2.gz DAVXDDNRMZQLPZ-UHFFFAOYSA-N 1 2 376.456 3.259 10 0 GGAELO Cc1cc(NC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)n(Cc2ccccc2)n1 ZINC000127478548 1415794950 /nfs/dbraw/zinc/79/49/50/1415794950.db2.gz BDPDIWQUOBJZHD-LJQANCHMSA-N 1 2 377.448 3.320 10 0 GGAELO COc1ccc(C(N)=[NH+]O[C@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)cc1 ZINC000178141152 1428996724 /nfs/dbraw/zinc/99/67/24/1428996724.db2.gz FTMXWLYBUPNDRY-UONOGXRCSA-N 1 2 381.432 3.344 10 0 GGAELO CCN(CC)C(=O)c1ccc(NC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000127561519 1415810041 /nfs/dbraw/zinc/81/00/41/1415810041.db2.gz FWLXVMAUVISVED-APWZRJJASA-N 1 2 383.496 3.480 10 0 GGAELO CC[NH+](CC)Cc1nc(C2(NC(=O)Cc3ccccc3OC)CCCC2)no1 ZINC000128280635 1415953571 /nfs/dbraw/zinc/95/35/71/1415953571.db2.gz APFBFDBZGCGJMW-UHFFFAOYSA-N 1 2 386.496 3.048 10 0 GGAELO CC[NH+](CC)Cc1nc(C2(NC(=O)[C@H](C)Oc3ccccc3)CCCC2)no1 ZINC000128281325 1415953843 /nfs/dbraw/zinc/95/38/43/1415953843.db2.gz AOFCEXMEFVXXRG-INIZCTEOSA-N 1 2 386.496 3.264 10 0 GGAELO C[C@H](NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1cnn(Cc2ccccc2)c1 ZINC000128765738 1416062889 /nfs/dbraw/zinc/06/28/89/1416062889.db2.gz ARJODYGSVDMULL-LAUBAEHRSA-N 1 2 391.475 3.250 10 0 GGAELO CCc1ccccc1Nc1nc(N)nc(CN2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)n1 ZINC000129816216 1416268294 /nfs/dbraw/zinc/26/82/94/1416268294.db2.gz CTARPLFLZCWXIF-CRAIPNDOSA-N 1 2 392.511 3.039 10 0 GGAELO C[C@@H]1CN(c2ccc(NC(=O)N3CC[C@@H](C)[C@H](n4cc[nH+]c4)C3)cc2)CCO1 ZINC000130660072 1416419034 /nfs/dbraw/zinc/41/90/34/1416419034.db2.gz HPEAIKYHZYKOMK-MBOZVWFJSA-N 1 2 383.496 3.223 10 0 GGAELO C[C@@H]1CN(c2ccc(NC(=O)N3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)cc2)CCO1 ZINC000130660271 1416419060 /nfs/dbraw/zinc/41/90/60/1416419060.db2.gz HPEAIKYHZYKOMK-SQGPQFPESA-N 1 2 383.496 3.223 10 0 GGAELO O=C(c1cc(N2CCCC2=O)ccc1Cl)N1CC[NH+](Cc2ccccc2)CC1 ZINC000130706609 1416430025 /nfs/dbraw/zinc/43/00/25/1416430025.db2.gz CICSPDJICGDKKF-UHFFFAOYSA-N 1 2 397.906 3.425 10 0 GGAELO COC(=O)C(C)(C)c1ccc(NC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000130915950 1416480384 /nfs/dbraw/zinc/48/03/84/1416480384.db2.gz BJTWLKDHEXDTIU-CRAIPNDOSA-N 1 2 384.480 3.449 10 0 GGAELO COC(=O)C(C)(C)c1ccc(NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000130916165 1416480547 /nfs/dbraw/zinc/48/05/47/1416480547.db2.gz BJTWLKDHEXDTIU-MAUKXSAKSA-N 1 2 384.480 3.449 10 0 GGAELO O=S(=O)(NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1)c1ccccn1 ZINC000130918417 1416481077 /nfs/dbraw/zinc/48/10/77/1416481077.db2.gz BMOXGBVDACVXLL-UHFFFAOYSA-N 1 2 399.438 3.043 10 0 GGAELO CCOc1ccc(C(=O)N(C)C)cc1NC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000131411813 1416553525 /nfs/dbraw/zinc/55/35/25/1416553525.db2.gz FJVKOFLRGZDNTH-QAPCUYQASA-N 1 2 399.495 3.099 10 0 GGAELO C[C@H]1CCN(C(=O)Nc2cccn(Cc3ccccc3)c2=O)C[C@H]1n1cc[nH+]c1 ZINC000131889842 1416642474 /nfs/dbraw/zinc/64/24/74/1416642474.db2.gz DCALVCCFXDBBJL-FXAWDEMLSA-N 1 2 391.475 3.208 10 0 GGAELO CCOC(=O)[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2c(C)nn(-c3ccccc3)c2C)C1 ZINC000139064684 1417447330 /nfs/dbraw/zinc/44/73/30/1417447330.db2.gz BZFPYZKMDJJFFQ-QZTJIDSGSA-N 1 2 398.507 3.091 10 0 GGAELO CCOC(=O)[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2c(C)nn(-c3ccccc3)c2C)C1 ZINC000139064684 1417447339 /nfs/dbraw/zinc/44/73/39/1417447339.db2.gz BZFPYZKMDJJFFQ-QZTJIDSGSA-N 1 2 398.507 3.091 10 0 GGAELO O=S(=O)(c1cc(Cl)sc1Cl)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000151138313 1417880064 /nfs/dbraw/zinc/88/00/64/1417880064.db2.gz DGERVPDKPWSXNH-JTQLQIEISA-N 1 2 379.290 3.292 10 0 GGAELO Cc1cc(S(=O)(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)ccc1OC(C)C ZINC000151165411 1417885784 /nfs/dbraw/zinc/88/57/84/1417885784.db2.gz HCRHMLSGERQBKJ-QGZVFWFLSA-N 1 2 376.478 3.019 10 0 GGAELO CCSCc1cccc(NC(=O)C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000151438036 1417968423 /nfs/dbraw/zinc/96/84/23/1417968423.db2.gz COSSHQXLMADEAR-CRAIPNDOSA-N 1 2 386.521 3.184 10 0 GGAELO CCCOc1cc(C)ccc1NC(=O)C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000151477064 1417990908 /nfs/dbraw/zinc/99/09/08/1417990908.db2.gz HFQGKUHZAXGHFS-SJLPKXTDSA-N 1 2 384.480 3.029 10 0 GGAELO Cc1cc(NC(=O)C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)ccc1C(F)(F)F ZINC000151483353 1417996937 /nfs/dbraw/zinc/99/69/37/1417996937.db2.gz DQNHWHVOTPAWHJ-BLLLJJGKSA-N 1 2 394.397 3.259 10 0 GGAELO Cc1cc(NC(=O)C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)ccc1C(F)(F)F ZINC000151483497 1417996981 /nfs/dbraw/zinc/99/69/81/1417996981.db2.gz DQNHWHVOTPAWHJ-LRDDRELGSA-N 1 2 394.397 3.259 10 0 GGAELO Cc1nn(-c2ccccc2)c(C)c1CNC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000151781443 1418085265 /nfs/dbraw/zinc/08/52/65/1418085265.db2.gz FHWQQRNNUMVGFK-HRAATJIYSA-N 1 2 392.507 3.478 10 0 GGAELO C[C@H]1CCN(C(=O)NCc2ccnc(OCC(F)(F)F)c2)C[C@H]1n1cc[nH+]c1 ZINC000152094517 1418143591 /nfs/dbraw/zinc/14/35/91/1418143591.db2.gz DTTSLURNRHSCCB-DZGCQCFKSA-N 1 2 397.401 3.012 10 0 GGAELO CN1CC[NH+](Cc2cccc(NC(=O)[C@H]3C[C@H]3c3cccc(F)c3F)c2)CC1 ZINC000152277563 1418191843 /nfs/dbraw/zinc/19/18/43/1418191843.db2.gz GZBZHRJDLKEGHR-OALUTQOASA-N 1 2 385.458 3.454 10 0 GGAELO CN1CC[NH+](Cc2cccc(NC(=O)[C@@H]3C[C@H]3c3cccc(F)c3F)c2)CC1 ZINC000152277468 1418192081 /nfs/dbraw/zinc/19/20/81/1418192081.db2.gz GZBZHRJDLKEGHR-RBUKOAKNSA-N 1 2 385.458 3.454 10 0 GGAELO O=C(C[N@@H+]1CCC[C@H](c2nncn2C2CC2)C1)Nc1ccccc1C(F)(F)F ZINC000152399552 1422092988 /nfs/dbraw/zinc/09/29/88/1422092988.db2.gz KTTJWNNFFQZRNC-ZDUSSCGKSA-N 1 2 393.413 3.450 10 0 GGAELO O=C(C[N@H+]1CCC[C@H](c2nncn2C2CC2)C1)Nc1ccccc1C(F)(F)F ZINC000152399552 1422092996 /nfs/dbraw/zinc/09/29/96/1422092996.db2.gz KTTJWNNFFQZRNC-ZDUSSCGKSA-N 1 2 393.413 3.450 10 0 GGAELO C[C@H]1CCN(C(=O)N[C@@H](c2ccc3c(c2)OCCO3)C2CC2)C[C@H]1n1cc[nH+]c1 ZINC000152663653 1422197437 /nfs/dbraw/zinc/19/74/37/1422197437.db2.gz GJSUMUJGRRSUGU-RRMPHLOHSA-N 1 2 396.491 3.398 10 0 GGAELO CC(C)(C)OC(=O)Nc1cccc(C[NH+]2CCN(C(=O)c3cccnc3)CC2)c1 ZINC000153056678 1422342054 /nfs/dbraw/zinc/34/20/54/1422342054.db2.gz YNBRMZYPWSZUJZ-UHFFFAOYSA-N 1 2 396.491 3.387 10 0 GGAELO Cc1nn(C)c(N2CCOCC2)c1C[NH2+][C@@H](c1cccc(C)c1)c1ccccn1 ZINC000153535628 1422592780 /nfs/dbraw/zinc/59/27/80/1422592780.db2.gz IFVMSJMGXBLGLY-QFIPXVFZSA-N 1 2 391.519 3.148 10 0 GGAELO CC(C)[C@H](CNC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)NC(=O)OC(C)(C)C ZINC000153648140 1422674807 /nfs/dbraw/zinc/67/48/07/1422674807.db2.gz CQHOXAVCFDCTRM-ULQDDVLXSA-N 1 2 393.532 3.025 10 0 GGAELO O=C(CN1CC[C@@H](Oc2cc[nH+]cc2)C1)Nc1nc(-c2cccs2)cs1 ZINC000154061788 1422834102 /nfs/dbraw/zinc/83/41/02/1422834102.db2.gz HTVRRMZQVAZIMN-CQSZACIVSA-N 1 2 386.502 3.358 10 0 GGAELO C[C@@H]1CCN(C(=O)NCCc2nc(C(F)(F)F)cs2)C[C@@H]1n1cc[nH+]c1 ZINC000154142166 1422846141 /nfs/dbraw/zinc/84/61/41/1422846141.db2.gz AAHXCZCPPOGMQK-NEPJUHHUSA-N 1 2 387.431 3.194 10 0 GGAELO C[C@H](NC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)c1cccc(-n2cccn2)c1 ZINC000154175177 1422850516 /nfs/dbraw/zinc/85/05/16/1422850516.db2.gz BNMZBAAGFIECSG-UWVAXJGDSA-N 1 2 378.480 3.423 10 0 GGAELO CC(C)Oc1ccccc1CC(=O)N1C[C@H]2OCC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC000155088474 1423155721 /nfs/dbraw/zinc/15/57/21/1423155721.db2.gz AMDZZBYIXMWNDG-JTHBVZDNSA-N 1 2 394.515 3.128 10 0 GGAELO CC(C)Oc1ccccc1CC(=O)N1C[C@H]2OCC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC000155088474 1423155728 /nfs/dbraw/zinc/15/57/28/1423155728.db2.gz AMDZZBYIXMWNDG-JTHBVZDNSA-N 1 2 394.515 3.128 10 0 GGAELO Cc1[nH+]cc(CNc2cccc(N3CCCS3(=O)=O)c2)n1-c1ccccc1 ZINC000156551121 1423827047 /nfs/dbraw/zinc/82/70/47/1423827047.db2.gz FPUCPOJAVXZNPN-UHFFFAOYSA-N 1 2 382.489 3.333 10 0 GGAELO C[C@@H](NC(=O)[C@@H](C)[N@H+](CCO)Cc1cccnc1)c1cccc2ccccc21 ZINC000157033352 1423907898 /nfs/dbraw/zinc/90/78/98/1423907898.db2.gz ALNLGDNAYQPAIJ-QZTJIDSGSA-N 1 2 377.488 3.295 10 0 GGAELO C[C@@H](NC(=O)[C@@H](C)[N@@H+](CCO)Cc1cccnc1)c1cccc2ccccc21 ZINC000157033352 1423907903 /nfs/dbraw/zinc/90/79/03/1423907903.db2.gz ALNLGDNAYQPAIJ-QZTJIDSGSA-N 1 2 377.488 3.295 10 0 GGAELO CC1CCN(c2ccc(NC(=O)N3CCC[C@@H]3C[NH+]3CCOCC3)cc2)CC1 ZINC000180060608 1429719174 /nfs/dbraw/zinc/71/91/74/1429719174.db2.gz GNRWVRNAUJNADZ-OAQYLSRUSA-N 1 2 386.540 3.251 10 0 GGAELO CC[NH+](CC)Cc1nc(C2(NC(=O)[C@H](OC)c3ccccc3)CCCC2)no1 ZINC000162349295 1424840483 /nfs/dbraw/zinc/84/04/83/1424840483.db2.gz ANDMOJQBWJMQFX-GOSISDBHSA-N 1 2 386.496 3.185 10 0 GGAELO O=C(NCc1nc(-c2ccccc2)cs1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000164042664 1425071514 /nfs/dbraw/zinc/07/15/14/1425071514.db2.gz BRIKWWOTRBWEHV-MRXNPFEDSA-N 1 2 379.489 3.283 10 0 GGAELO CC(=O)NCCC[NH+]1CCN(Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000164493656 1425117633 /nfs/dbraw/zinc/11/76/33/1425117633.db2.gz HLPWNNJQFAGVIK-UHFFFAOYSA-N 1 2 375.513 3.198 10 0 GGAELO O=C(Nc1ccc(Cl)cc1Cl)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000170328901 1425262108 /nfs/dbraw/zinc/26/21/08/1425262108.db2.gz HCMGYQDLPCMRHA-UHFFFAOYSA-N 1 2 392.286 3.276 10 0 GGAELO Cc1nc(C[C@H]2CCCN(C(=O)/C=C/c3ccc(-n4cc[nH+]c4)cc3)C2)no1 ZINC000171489547 1425702985 /nfs/dbraw/zinc/70/29/85/1425702985.db2.gz 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Cc1noc(C)c1C[NH+]1CCN(C(=O)/C=C\c2cccc3cccnc23)CC1 ZINC000097220109 211362423 /nfs/dbraw/zinc/36/24/23/211362423.db2.gz BQWPSUBYAHZWAT-HJWRWDBZSA-N 1 2 376.460 3.197 10 0 GGAELO COC(=O)c1sccc1NC(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000096438854 211342307 /nfs/dbraw/zinc/34/23/07/211342307.db2.gz ASBXLBIKVNVONA-YVMONPNESA-N 1 2 385.489 3.398 10 0 GGAELO Clc1ccc(-c2nnc(-c3cccnc3NCC[NH+]3CCOCC3)o2)cc1 ZINC000096339029 211336507 /nfs/dbraw/zinc/33/65/07/211336507.db2.gz NQNTWAHPDJJNIY-UHFFFAOYSA-N 1 2 385.855 3.196 10 0 GGAELO Cc1ccc(NC(=O)[C@H]2c3c([nH+]cn3C)CCN2C(=O)c2ccccc2)cc1C ZINC000096062710 211298893 /nfs/dbraw/zinc/29/88/93/211298893.db2.gz GODZYYRKZIQCHS-OAQYLSRUSA-N 1 2 388.471 3.415 10 0 GGAELO C[NH+](C)[C@H](CNC(=O)c1ccc2c(c1)CCC(=O)N2)c1c(F)cccc1Cl ZINC000096014222 211293859 /nfs/dbraw/zinc/29/38/59/211293859.db2.gz KFKIDSJAXGBYQL-QGZVFWFLSA-N 1 2 389.858 3.397 10 0 GGAELO COc1cccc(-c2nc3c([nH]2)C[N@@H+]([C@@H](C)C(=O)NC2CCCCC2)CC3)c1 ZINC000096132017 211305209 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Cc1noc(C)c1[C@@H](C)C(=O)N1CC[NH+](CCOc2ccc3c(c2)CCC3)CC1 ZINC000069792318 211040543 /nfs/dbraw/zinc/04/05/43/211040543.db2.gz UEWOGKLQJKOCGF-MRXNPFEDSA-N 1 2 397.519 3.107 10 0 GGAELO C[C@@H](c1nc2ccccc2c(=O)[nH]1)[N@@H+]1CCCN(c2nc3ccccc3[nH]2)CC1 ZINC000068453534 211033573 /nfs/dbraw/zinc/03/35/73/211033573.db2.gz VMCWMDBKPLCOII-HNNXBMFYSA-N 1 2 388.475 3.073 10 0 GGAELO C[C@@H](c1nc2ccccc2c(=O)[nH]1)[N@H+]1CCCN(c2nc3ccccc3[nH]2)CC1 ZINC000068453534 211033577 /nfs/dbraw/zinc/03/35/77/211033577.db2.gz VMCWMDBKPLCOII-HNNXBMFYSA-N 1 2 388.475 3.073 10 0 GGAELO Cc1nc(-c2ccsc2)sc1C(=O)NC(C)(C)c1noc(C[NH+](C)C)n1 ZINC000065415606 210991984 /nfs/dbraw/zinc/99/19/84/210991984.db2.gz OWNACAICXCOUES-UHFFFAOYSA-N 1 2 391.522 3.290 10 0 GGAELO O=C(CCNC(=O)Nc1ccccc1)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000040122079 210776496 /nfs/dbraw/zinc/77/64/96/210776496.db2.gz FLLBQUKPFDQNHI-UHFFFAOYSA-N 1 2 395.507 3.290 10 0 GGAELO CCn1c2ccccc2[nH+]c1N1CCN(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000033106469 210624673 /nfs/dbraw/zinc/62/46/73/210624673.db2.gz SQKYLFRZYAPNTR-UHFFFAOYSA-N 1 2 393.447 3.139 10 0 GGAELO Cn1c2ccccc2[nH+]c1N1CCN(C(=O)c2ccccc2Br)CC1 ZINC000033106658 210624245 /nfs/dbraw/zinc/62/42/45/210624245.db2.gz XNCSQNIVTNUNEA-UHFFFAOYSA-N 1 2 399.292 3.298 10 0 GGAELO Cc1cccc(N2CC[NH+](CC(=O)N[C@H]3CCC[C@@H](C(F)(F)F)C3)CC2)c1 ZINC000027878035 210518817 /nfs/dbraw/zinc/51/88/17/210518817.db2.gz ASELEPBPLPNDRM-SJORKVTESA-N 1 2 383.458 3.354 10 0 GGAELO O=C(NCc1ccccc1)C1CC[NH+](Cc2noc(-c3ccc(F)cc3)n2)CC1 ZINC000021724273 210391520 /nfs/dbraw/zinc/39/15/20/210391520.db2.gz CEPYFGOSPXGXHV-UHFFFAOYSA-N 1 2 394.450 3.404 10 0 GGAELO COc1cccc(-c2noc3ncnc(N4CCN(c5cccc[nH+]5)CC4)c23)c1 ZINC000021714962 210389292 /nfs/dbraw/zinc/38/92/92/210389292.db2.gz TWCKQLHIYLHUKN-UHFFFAOYSA-N 1 2 388.431 3.015 10 0 GGAELO O=C(NCc1ccc(Cl)cc1)c1ccc(SCC[NH+]2CCOCC2)nc1 ZINC000021663527 210388777 /nfs/dbraw/zinc/38/87/77/210388777.db2.gz AFOLOBJWYWKCMV-UHFFFAOYSA-N 1 2 391.924 3.089 10 0 GGAELO O=C([C@@H]1CCCN(c2[nH]c3ccccc3[nH+]2)C1)N1CCN(c2ccccc2)CC1 ZINC000021159219 210378758 /nfs/dbraw/zinc/37/87/58/210378758.db2.gz IWRPKJJUAYASEB-GOSISDBHSA-N 1 2 389.503 3.128 10 0 GGAELO COc1cccc(CNC(=O)C2CCN(c3[nH]c4ccccc4[nH+]3)CC2)c1OC ZINC000021162118 210377959 /nfs/dbraw/zinc/37/79/59/210377959.db2.gz RGEIAZJFMKDESD-UHFFFAOYSA-N 1 2 394.475 3.113 10 0 GGAELO CC[N@H+](CCCNC(=O)[C@@H]1Cc2ccccc2N1C(C)=O)c1cccc(C)c1 ZINC000021148168 210377924 /nfs/dbraw/zinc/37/79/24/210377924.db2.gz FICDFVLPQGLJRP-QFIPXVFZSA-N 1 2 379.504 3.305 10 0 GGAELO CC[N@@H+](CCCNC(=O)[C@@H]1Cc2ccccc2N1C(C)=O)c1cccc(C)c1 ZINC000021148168 210377926 /nfs/dbraw/zinc/37/79/26/210377926.db2.gz FICDFVLPQGLJRP-QFIPXVFZSA-N 1 2 379.504 3.305 10 0 GGAELO CSc1ncc(C(=O)N2CCN(c3cccc[nH+]3)CC2)c(-c2ccccc2)n1 ZINC000021529717 210384097 /nfs/dbraw/zinc/38/40/97/210384097.db2.gz HSWAWMQYUXDFTP-UHFFFAOYSA-N 1 2 391.500 3.223 10 0 GGAELO COc1cccc([C@H](CC(=O)N2CCN(c3cccc[nH+]3)CC2)n2cccc2)c1 ZINC000020998458 210373565 /nfs/dbraw/zinc/37/35/65/210373565.db2.gz HWUUGEFHVFIEDW-NRFANRHFSA-N 1 2 390.487 3.220 10 0 GGAELO COc1cccc([C@@H](CC(=O)N2CCN(c3cccc[nH+]3)CC2)n2cccc2)c1 ZINC000020998456 210372296 /nfs/dbraw/zinc/37/22/96/210372296.db2.gz HWUUGEFHVFIEDW-OAQYLSRUSA-N 1 2 390.487 3.220 10 0 GGAELO CC[N@H+](CCCNC(=O)C[C@H]1Nc2ccccc2NC1=O)c1cccc(C)c1 ZINC000020732862 210359321 /nfs/dbraw/zinc/35/93/21/210359321.db2.gz PZVUMLGTDFMVPN-HXUWFJFHSA-N 1 2 380.492 3.151 10 0 GGAELO CC[N@@H+](CCCNC(=O)C[C@H]1Nc2ccccc2NC1=O)c1cccc(C)c1 ZINC000020732862 210359327 /nfs/dbraw/zinc/35/93/27/210359327.db2.gz PZVUMLGTDFMVPN-HXUWFJFHSA-N 1 2 380.492 3.151 10 0 GGAELO CC(C)C(=O)NC[C@@H](c1ccc2c(c1)OCO2)[NH+]1CCN(c2ccccc2)CC1 ZINC000020614462 210352632 /nfs/dbraw/zinc/35/26/32/210352632.db2.gz ABOZICVTOXROBG-FQEVSTJZSA-N 1 2 395.503 3.051 10 0 GGAELO CCCC(=O)NC[C@@H](c1ccc2c(c1)OCO2)[NH+]1CCN(c2ccccc2)CC1 ZINC000020614391 210352162 /nfs/dbraw/zinc/35/21/62/210352162.db2.gz PWGWGEGFKDTAKE-FQEVSTJZSA-N 1 2 395.503 3.195 10 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210335341 /nfs/dbraw/zinc/33/53/41/210335341.db2.gz OUGMKOPJRKMOKR-IBGZPJMESA-N 1 2 384.476 3.043 10 0 GGAELO Cc1ccc(N2C(=O)C[C@@H]([NH+]3CCN(c4cc(C)ccc4C)CC3)C2=O)cc1 ZINC000019889472 210303806 /nfs/dbraw/zinc/30/38/06/210303806.db2.gz OQCNIAVVAUZDAK-OAQYLSRUSA-N 1 2 377.488 3.066 10 0 GGAELO Cc1ccc(-c2nn(-c3cccc(F)c3)cc2C[NH2+]Cc2nnc3n2CCC3)o1 ZINC000019791456 210295602 /nfs/dbraw/zinc/29/56/02/210295602.db2.gz RFUARAAWMWHRJC-UHFFFAOYSA-N 1 2 392.438 3.407 10 0 GGAELO CC[C@@H]1CCc2sc(C(=O)NCc3ccc(N4CCOCC4)[nH+]c3)cc2C1 ZINC000012173544 221161408 /nfs/dbraw/zinc/16/14/08/221161408.db2.gz CTTMOPAXLLWTOY-OAHLLOKOSA-N 1 2 385.533 3.425 10 0 GGAELO O=C(NC[C@@H](c1cccnc1)[NH+]1CCN(c2ccc(F)cc2)CC1)c1ccco1 ZINC000058135964 136154488 /nfs/dbraw/zinc/15/44/88/136154488.db2.gz NICIBKGNCYVQSO-FQEVSTJZSA-N 1 2 394.450 3.107 10 0 GGAELO O=C(Nc1cccc(CN2CCCC2=O)c1)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000058225425 136155193 /nfs/dbraw/zinc/15/51/93/136155193.db2.gz CYCITYREVGOAEI-GOSISDBHSA-N 1 2 378.476 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CC[NH+](CC)[C@H](CNS(=O)(=O)N1CCC[C@H](C)C1)c1ccccc1Cl ZINC000058723732 564687921 /nfs/dbraw/zinc/68/79/21/564687921.db2.gz RSQMPXLFWQZULU-MAUKXSAKSA-N 1 2 387.977 3.289 10 0 GGAELO COCCOc1cc2c(cc1C[N@H+](C)Cc1ccc(Br)o1)OCO2 ZINC000130694135 564690175 /nfs/dbraw/zinc/69/01/75/564690175.db2.gz PLPAKIRAEFAOIW-UHFFFAOYSA-N 1 2 398.253 3.428 10 0 GGAELO COCCOc1cc2c(cc1C[N@@H+](C)Cc1ccc(Br)o1)OCO2 ZINC000130694135 564690176 /nfs/dbraw/zinc/69/01/76/564690176.db2.gz PLPAKIRAEFAOIW-UHFFFAOYSA-N 1 2 398.253 3.428 10 0 GGAELO Oc1c(Br)cc(C[NH2+][C@H]2CCC[C@@H](O)C2)cc1Br ZINC000059811625 564693536 /nfs/dbraw/zinc/69/35/36/564693536.db2.gz KLERNTFVTLXLIO-VHSXEESVSA-N 1 2 379.092 3.310 10 0 GGAELO COc1cc(C(=O)NCc2[nH+]ccn2CC(C)C)cc(OC)c1Br ZINC000130861865 564694803 /nfs/dbraw/zinc/69/48/03/564694803.db2.gz FRRSJWRWPNXJOD-UHFFFAOYSA-N 1 2 396.285 3.249 10 0 GGAELO COc1cc([C@H](C)[NH2+][C@@H](C(N)=O)c2cccc(Br)c2)ccc1F ZINC000131383628 564710420 /nfs/dbraw/zinc/71/04/20/564710420.db2.gz 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O=C(NCc1cccnc1-n1cc[nH+]c1)Nc1cc(F)ccc1Br ZINC000136444074 564850750 /nfs/dbraw/zinc/85/07/50/564850750.db2.gz PVPHQDPCCMHLBA-UHFFFAOYSA-N 1 2 390.216 3.491 10 0 GGAELO Cc1ncc(C[NH+]2CCN(C(=O)N[C@@H]3CCCc4sccc43)CC2)s1 ZINC000136516977 564851986 /nfs/dbraw/zinc/85/19/86/564851986.db2.gz ZAQGPBTYCLNPQN-MRXNPFEDSA-N 1 2 376.551 3.418 10 0 GGAELO O=C(N[C@H]1CCCc2sccc21)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000136600611 564852773 /nfs/dbraw/zinc/85/27/73/564852773.db2.gz BREDAFKKDGAFFH-INIZCTEOSA-N 1 2 376.551 3.500 10 0 GGAELO O=C(N[C@H]1CCCc2sccc21)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000136600611 564852777 /nfs/dbraw/zinc/85/27/77/564852777.db2.gz BREDAFKKDGAFFH-INIZCTEOSA-N 1 2 376.551 3.500 10 0 GGAELO Cc1csc([C@@H]2CCC[N@@H+](CC(=O)Nc3nnc(CC(C)C)s3)C2)n1 ZINC000136927873 564856698 /nfs/dbraw/zinc/85/66/98/564856698.db2.gz BRDODCUNYGNDOC-CYBMUJFWSA-N 1 2 379.555 3.320 10 0 GGAELO Cc1csc([C@@H]2CCC[N@H+](CC(=O)Nc3nnc(CC(C)C)s3)C2)n1 ZINC000136927873 564856699 /nfs/dbraw/zinc/85/66/99/564856699.db2.gz BRDODCUNYGNDOC-CYBMUJFWSA-N 1 2 379.555 3.320 10 0 GGAELO COc1ccc(Cl)cc1S(=O)(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000071556505 564857280 /nfs/dbraw/zinc/85/72/80/564857280.db2.gz SKIMSAVIIMKMDN-UHFFFAOYSA-N 1 2 386.260 3.128 10 0 GGAELO CCCNC(=O)CSc1nnc(SCc2c(C)[nH+]c3ccccn32)s1 ZINC000078876781 564864808 /nfs/dbraw/zinc/86/48/08/564864808.db2.gz LHHQFVHVUFNYCT-UHFFFAOYSA-N 1 2 393.563 3.405 10 0 GGAELO CC[C@H]1C[N@H+](CCOc2ccccc2Br)CCN1CC(F)F ZINC000091707791 564871294 /nfs/dbraw/zinc/87/12/94/564871294.db2.gz YBGPMEXACQOZEA-ZDUSSCGKSA-N 1 2 377.273 3.489 10 0 GGAELO CC[C@H]1C[N@@H+](CCOc2ccccc2Br)CCN1CC(F)F ZINC000091707791 564871296 /nfs/dbraw/zinc/87/12/96/564871296.db2.gz YBGPMEXACQOZEA-ZDUSSCGKSA-N 1 2 377.273 3.489 10 0 GGAELO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1Cc1cc(Br)c(OC)s1 ZINC000092509984 564878571 /nfs/dbraw/zinc/87/85/71/564878571.db2.gz VYYJETBFLOVMMR-ZDUSSCGKSA-N 1 2 375.332 3.352 10 0 GGAELO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1Cc1cc(Br)c(OC)s1 ZINC000092509984 564878574 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Cc1nc(C[C@@H]2CCC[N@@H+](Cc3cnc4ccc(Br)cn34)C2)no1 ZINC000092813742 564881693 /nfs/dbraw/zinc/88/16/93/564881693.db2.gz DFOLBNJTGFWSAF-ZDUSSCGKSA-N 1 2 390.285 3.243 10 0 GGAELO Cc1cccc2[nH+]c(CNc3cc(Br)cc(F)c3C(N)=O)cn21 ZINC000092829842 564882212 /nfs/dbraw/zinc/88/22/12/564882212.db2.gz NILMXTQJENNDDS-UHFFFAOYSA-N 1 2 377.217 3.255 10 0 GGAELO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(-c2cccc(Br)c2)s1 ZINC000093103109 564883319 /nfs/dbraw/zinc/88/33/19/564883319.db2.gz GYPGHNYCAXORNL-HIFRSBDPSA-N 1 2 396.306 3.286 10 0 GGAELO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccc(-c2cccc(Br)c2)s1 ZINC000093103109 564883323 /nfs/dbraw/zinc/88/33/23/564883323.db2.gz GYPGHNYCAXORNL-HIFRSBDPSA-N 1 2 396.306 3.286 10 0 GGAELO Cn1cc[nH+]c1CN1CCN(Cc2cc(Cl)ccc2Br)CC1 ZINC000093108498 564883600 /nfs/dbraw/zinc/88/36/00/564883600.db2.gz BLSGYGWCRMZSMS-UHFFFAOYSA-N 1 2 383.721 3.154 10 0 GGAELO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(-c2ccccc2Br)s1 ZINC000093103263 564884060 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CCOc1c(Br)cc(C[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)cc1OC ZINC000093611572 564888313 /nfs/dbraw/zinc/88/83/13/564888313.db2.gz VFXNXIFJTMHOQB-AWEZNQCLSA-N 1 2 398.219 3.356 10 0 GGAELO CCOc1c(Br)cc(C[N@H+]2CC[C@@](O)(C(F)(F)F)C2)cc1OC ZINC000093611572 564888318 /nfs/dbraw/zinc/88/83/18/564888318.db2.gz VFXNXIFJTMHOQB-AWEZNQCLSA-N 1 2 398.219 3.356 10 0 GGAELO Cc1ccc(S(=O)(=O)NCC[N@@H+](C)Cc2cnc(CC(C)C)s2)cc1 ZINC000093685962 564889173 /nfs/dbraw/zinc/88/91/73/564889173.db2.gz AIBZGJUGPRJSSJ-UHFFFAOYSA-N 1 2 381.567 3.060 10 0 GGAELO Cc1ccc(S(=O)(=O)NCC[N@H+](C)Cc2cnc(CC(C)C)s2)cc1 ZINC000093685962 564889179 /nfs/dbraw/zinc/88/91/79/564889179.db2.gz AIBZGJUGPRJSSJ-UHFFFAOYSA-N 1 2 381.567 3.060 10 0 GGAELO CCCC(=O)N[C@H]1CCC[N@H+](CC(=O)Nc2ccc(Br)c(C)c2)C1 ZINC000101565434 564917601 /nfs/dbraw/zinc/91/76/01/564917601.db2.gz PVDBKPBLBLKQII-HNNXBMFYSA-N 1 2 396.329 3.077 10 0 GGAELO CCCC(=O)N[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(Br)c(C)c2)C1 ZINC000101565434 564917604 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COc1ccccc1C[NH+]1CCN(C(=O)c2coc(Br)c2)CC1 ZINC000102760404 564935090 /nfs/dbraw/zinc/93/50/90/564935090.db2.gz CSWAOIQSCUIHEQ-UHFFFAOYSA-N 1 2 379.254 3.009 10 0 GGAELO O=C(NCc1cn2cc(Cl)ccc2[nH+]1)C(=O)Nc1cc(F)ccc1Cl ZINC000102811758 564936596 /nfs/dbraw/zinc/93/65/96/564936596.db2.gz BOELRMIRKUFUKZ-UHFFFAOYSA-N 1 2 381.194 3.035 10 0 GGAELO O=C(NCc1cc(F)cc(Br)c1)N1CCC(n2cc[nH+]c2)CC1 ZINC000103309221 564946641 /nfs/dbraw/zinc/94/66/41/564946641.db2.gz PNYCRVZSIRANCC-UHFFFAOYSA-N 1 2 381.249 3.331 10 0 GGAELO O=C(CC[N@@H+]1CCO[C@H](c2nccs2)C1)Nc1ccccc1Br ZINC000103478735 564948837 /nfs/dbraw/zinc/94/88/37/564948837.db2.gz BAQNKUKCRHXPIX-AWEZNQCLSA-N 1 2 396.310 3.308 10 0 GGAELO O=C(CC[N@H+]1CCO[C@H](c2nccs2)C1)Nc1ccccc1Br ZINC000103478735 564948839 /nfs/dbraw/zinc/94/88/39/564948839.db2.gz BAQNKUKCRHXPIX-AWEZNQCLSA-N 1 2 396.310 3.308 10 0 GGAELO CCn1cnnc1[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000103478397 564948868 /nfs/dbraw/zinc/94/88/68/564948868.db2.gz 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ZINC000152560652 564964023 /nfs/dbraw/zinc/96/40/23/564964023.db2.gz UNVPCUOCCXRLHY-INIZCTEOSA-N 1 2 390.281 3.244 10 0 GGAELO C[N@@H+]1CCO[C@@H]2CN(C(=O)c3csc(-c4ccc(Cl)c(Cl)c4)n3)C[C@@H]21 ZINC000152808994 564972128 /nfs/dbraw/zinc/97/21/28/564972128.db2.gz JGOUGNLRKNZAPE-LSDHHAIUSA-N 1 2 398.315 3.272 10 0 GGAELO C[N@H+]1CCO[C@@H]2CN(C(=O)c3csc(-c4ccc(Cl)c(Cl)c4)n3)C[C@@H]21 ZINC000152808994 564972131 /nfs/dbraw/zinc/97/21/31/564972131.db2.gz JGOUGNLRKNZAPE-LSDHHAIUSA-N 1 2 398.315 3.272 10 0 GGAELO O=C(Nc1ccc(Cl)cc1Br)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000152912114 564977141 /nfs/dbraw/zinc/97/71/41/564977141.db2.gz QCAOLEUDWWRHGE-LBPRGKRZSA-N 1 2 388.693 3.041 10 0 GGAELO CN(c1cccnn1)C1CC[NH+](Cc2cc(Br)ccc2F)CC1 ZINC000106083317 564977196 /nfs/dbraw/zinc/97/71/96/564977196.db2.gz ZESSMWZMPVGCID-UHFFFAOYSA-N 1 2 379.277 3.479 10 0 GGAELO Cc1ncc(C[NH+]2CCN([C@H](C)C(=O)Nc3ccccc3Cl)CC2)s1 ZINC000106090618 564977845 /nfs/dbraw/zinc/97/78/45/564977845.db2.gz XRYFNIDGSDVKRI-CYBMUJFWSA-N 1 2 378.929 3.250 10 0 GGAELO Cc1ncc(C[NH+]2CCN([C@H](C)C(=O)Nc3cccc(Cl)c3)CC2)s1 ZINC000106091697 564978049 /nfs/dbraw/zinc/97/80/49/564978049.db2.gz CYALFMAFCSDHKZ-CYBMUJFWSA-N 1 2 378.929 3.250 10 0 GGAELO C[C@H](c1ccc(Cl)cc1Cl)[NH+]1CCN(c2ccc3nncn3n2)CC1 ZINC000106091833 564978611 /nfs/dbraw/zinc/97/86/11/564978611.db2.gz VGWDSHOUDXCFFI-GFCCVEGCSA-N 1 2 377.279 3.314 10 0 GGAELO Cc1noc([C@H](C)N2CC[NH+](CCOc3ccc(Cl)cc3Cl)CC2)n1 ZINC000106135429 564979643 /nfs/dbraw/zinc/97/96/43/564979643.db2.gz MQGGNDKEYMZHPV-LBPRGKRZSA-N 1 2 385.295 3.442 10 0 GGAELO C[C@@H](C(=O)Nc1ccccc1Br)[NH+]1CCC(Cn2cccn2)CC1 ZINC000106183732 564980231 /nfs/dbraw/zinc/98/02/31/564980231.db2.gz VVYJKSSXKLSWKF-AWEZNQCLSA-N 1 2 391.313 3.385 10 0 GGAELO CC(C)n1cc[nH+]c1CS(=O)(=O)c1nnc(-c2cccs2)n1C1CC1 ZINC000153049949 564982947 /nfs/dbraw/zinc/98/29/47/564982947.db2.gz CJHQUHTVVLGKOT-UHFFFAOYSA-N 1 2 377.495 3.093 10 0 GGAELO CN(C)c1[nH+]cccc1CNC(=O)N(C)CCc1ccc(Br)cc1 ZINC000106530121 564983850 /nfs/dbraw/zinc/98/38/50/564983850.db2.gz GYIQCUJTXGHDEA-UHFFFAOYSA-N 1 2 391.313 3.294 10 0 GGAELO CCN(CC)C(=O)[C@H](C)[NH+]1CCN(CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000153222239 564988195 /nfs/dbraw/zinc/98/81/95/564988195.db2.gz NYYIQSXWXUQZNG-HNNXBMFYSA-N 1 2 386.367 3.410 10 0 GGAELO CCN(CC)C(=O)[C@H](C)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000153222239 564988198 /nfs/dbraw/zinc/98/81/98/564988198.db2.gz NYYIQSXWXUQZNG-HNNXBMFYSA-N 1 2 386.367 3.410 10 0 GGAELO CC(C)[C@H](C)NC(=O)CN1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000153291276 564990070 /nfs/dbraw/zinc/99/00/70/564990070.db2.gz RKJFNKMINIQLTN-HNNXBMFYSA-N 1 2 386.367 3.314 10 0 GGAELO O=C(CN1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1)NC1CCCC1 ZINC000153264238 564990367 /nfs/dbraw/zinc/99/03/67/564990367.db2.gz MIVGBHLLFVSNAN-UHFFFAOYSA-N 1 2 384.351 3.212 10 0 GGAELO CC(C)[C@@H](C)NC(=O)CN1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000153291144 564990382 /nfs/dbraw/zinc/99/03/82/564990382.db2.gz RKJFNKMINIQLTN-OAHLLOKOSA-N 1 2 386.367 3.314 10 0 GGAELO NC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCC(C2CCOCC2)CC1 ZINC000153313150 564990936 /nfs/dbraw/zinc/99/09/36/564990936.db2.gz FFKNLPNNPINIFF-KRWDZBQOSA-N 1 2 381.314 3.114 10 0 GGAELO NC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCC(C2CCOCC2)CC1 ZINC000153313262 564991008 /nfs/dbraw/zinc/99/10/08/564991008.db2.gz FFKNLPNNPINIFF-QGZVFWFLSA-N 1 2 381.314 3.114 10 0 GGAELO O=C(CN1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1)N1CCCCC1 ZINC000153293699 564991061 /nfs/dbraw/zinc/99/10/61/564991061.db2.gz SAJBTXKVKREHGU-UHFFFAOYSA-N 1 2 384.351 3.166 10 0 GGAELO O=C(C[NH+]1CCN(CCc2ccc(Cl)c(Cl)c2)CC1)N1CCCCC1 ZINC000153293699 564991064 /nfs/dbraw/zinc/99/10/64/564991064.db2.gz SAJBTXKVKREHGU-UHFFFAOYSA-N 1 2 384.351 3.166 10 0 GGAELO Cc1nc(C[N@H+]2CCCN(C(=O)NCCCSCC(C)C)CC2)cs1 ZINC000153294272 564991230 /nfs/dbraw/zinc/99/12/30/564991230.db2.gz JUCXMPMLUCYMKB-UHFFFAOYSA-N 1 2 384.615 3.448 10 0 GGAELO Cc1nc(C[N@@H+]2CCCN(C(=O)NCCCSCC(C)C)CC2)cs1 ZINC000153294272 564991232 /nfs/dbraw/zinc/99/12/32/564991232.db2.gz JUCXMPMLUCYMKB-UHFFFAOYSA-N 1 2 384.615 3.448 10 0 GGAELO Cc1cc(NC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)ccc1Br ZINC000153615286 565003370 /nfs/dbraw/zinc/00/33/70/565003370.db2.gz GMGKMDZLLUDWGQ-OAHLLOKOSA-N 1 2 382.302 3.086 10 0 GGAELO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1CC(=O)Nc1ccc(Br)cc1 ZINC000108191723 565007940 /nfs/dbraw/zinc/00/79/40/565007940.db2.gz HXTJIAYAGCDVBS-RCBQFDQVSA-N 1 2 395.297 3.194 10 0 GGAELO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CC(=O)Nc1ccc(Br)cc1 ZINC000108191723 565007944 /nfs/dbraw/zinc/00/79/44/565007944.db2.gz HXTJIAYAGCDVBS-RCBQFDQVSA-N 1 2 395.297 3.194 10 0 GGAELO Cc1ccc(Br)c(C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)c1 ZINC000153918272 565017597 /nfs/dbraw/zinc/01/75/97/565017597.db2.gz WIVUKNDRRWTIIC-HNNXBMFYSA-N 1 2 381.314 3.084 10 0 GGAELO CCCOc1c(Br)cc(C[N@@H+]2CCC[C@@H](NC(C)=O)C2)cc1OC ZINC000153920053 565017930 /nfs/dbraw/zinc/01/79/30/565017930.db2.gz GYKSJDGEQJVMGE-OAHLLOKOSA-N 1 2 399.329 3.347 10 0 GGAELO CCCOc1c(Br)cc(C[N@H+]2CCC[C@@H](NC(C)=O)C2)cc1OC ZINC000153920053 565017934 /nfs/dbraw/zinc/01/79/34/565017934.db2.gz GYKSJDGEQJVMGE-OAHLLOKOSA-N 1 2 399.329 3.347 10 0 GGAELO Cc1c(I)cccc1C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000154141269 565027952 /nfs/dbraw/zinc/02/79/52/565027952.db2.gz HVIROBABCRVWIB-CYBMUJFWSA-N 1 2 395.244 3.101 10 0 GGAELO Cn1cc(C[N@@H+]2CCCN(C(=O)c3cc(F)c(Cl)cc3Cl)CC2)cn1 ZINC000109657081 565029711 /nfs/dbraw/zinc/02/97/11/565029711.db2.gz YAOBPQORPRHYIT-UHFFFAOYSA-N 1 2 385.270 3.214 10 0 GGAELO Cn1cc(C[N@H+]2CCCN(C(=O)c3cc(F)c(Cl)cc3Cl)CC2)cn1 ZINC000109657081 565029714 /nfs/dbraw/zinc/02/97/14/565029714.db2.gz YAOBPQORPRHYIT-UHFFFAOYSA-N 1 2 385.270 3.214 10 0 GGAELO NC(=O)C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000109699144 565030521 /nfs/dbraw/zinc/03/05/21/565030521.db2.gz DTGHFRLVOZBUEQ-VIFPVBQESA-N 1 2 378.687 3.315 10 0 GGAELO NC(=O)C[C@@H]1CCCC[N@H+]1CC(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000109699144 565030525 /nfs/dbraw/zinc/03/05/25/565030525.db2.gz DTGHFRLVOZBUEQ-VIFPVBQESA-N 1 2 378.687 3.315 10 0 GGAELO O=C(CN1CCCC[C@@H]1C[NH+]1CCOCC1)Nc1cccc(Cl)c1Cl ZINC000109819140 565031868 /nfs/dbraw/zinc/03/18/68/565031868.db2.gz CBNXUWKKYVHSHI-CQSZACIVSA-N 1 2 386.323 3.119 10 0 GGAELO O=C(CN1CCCC[C@H]1C[NH+]1CCOCC1)Nc1cccc(Cl)c1Cl ZINC000109819144 565031899 /nfs/dbraw/zinc/03/18/99/565031899.db2.gz CBNXUWKKYVHSHI-AWEZNQCLSA-N 1 2 386.323 3.119 10 0 GGAELO O=C(CN1CCCC[C@H]1C[NH+]1CCOCC1)Nc1c(Cl)cccc1Cl ZINC000109820801 565031911 /nfs/dbraw/zinc/03/19/11/565031911.db2.gz IWHQEHHHPLFSIO-AWEZNQCLSA-N 1 2 386.323 3.119 10 0 GGAELO Cc1cc(NC(=O)[C@H](C)CS(=O)(=O)c2ccc(Br)cc2)cc[nH+]1 ZINC000154367770 565036163 /nfs/dbraw/zinc/03/61/63/565036163.db2.gz RGJTXVOOEQAOGT-LLVKDONJSA-N 1 2 397.294 3.201 10 0 GGAELO Cc1ccc(NC(=O)C(=O)N[C@H](C)c2ccccc2Br)c(C)[nH+]1 ZINC000154371617 565036171 /nfs/dbraw/zinc/03/61/71/565036171.db2.gz JBYPDXGPZJIFOC-LLVKDONJSA-N 1 2 376.254 3.277 10 0 GGAELO Cc1ncc(C[NH+]2CCN(C(=O)[C@H](C)Oc3ccccc3Cl)CC2)s1 ZINC000110942676 565048036 /nfs/dbraw/zinc/04/80/36/565048036.db2.gz QXHQESWRGZFIQR-ZDUSSCGKSA-N 1 2 379.913 3.217 10 0 GGAELO Cc1ncc(C[NH+]2CCN(C(=O)c3ccc(Br)c(F)c3)CC2)s1 ZINC000110944676 565048285 /nfs/dbraw/zinc/04/82/85/565048285.db2.gz YOXRDBCTAJHWIY-UHFFFAOYSA-N 1 2 398.301 3.311 10 0 GGAELO O=C(c1cc(F)c(Cl)cc1Cl)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000110957441 565048352 /nfs/dbraw/zinc/04/83/52/565048352.db2.gz GGMXMBJRDIXLDT-LBPRGKRZSA-N 1 2 375.271 3.459 10 0 GGAELO Cc1ncc(C[NH+]2CCN(C(=O)[C@@H](C)Oc3ccccc3Cl)CC2)s1 ZINC000110942673 565048370 /nfs/dbraw/zinc/04/83/70/565048370.db2.gz QXHQESWRGZFIQR-CYBMUJFWSA-N 1 2 379.913 3.217 10 0 GGAELO Cc1ncc(C[NH+]2CCN(C(=O)c3cccc(Br)c3)CC2)s1 ZINC000110940832 565048427 /nfs/dbraw/zinc/04/84/27/565048427.db2.gz OXGSYGXUHKDPPH-UHFFFAOYSA-N 1 2 380.311 3.172 10 0 GGAELO Cc1ncc(C[NH+]2CCN(C(=O)c3cc(Cl)c(N)c(Cl)c3)CC2)s1 ZINC000154818025 565053792 /nfs/dbraw/zinc/05/37/92/565053792.db2.gz VXKLJERIUFAFEN-UHFFFAOYSA-N 1 2 385.320 3.299 10 0 GGAELO O=C(NCc1cscn1)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000111482861 565055023 /nfs/dbraw/zinc/05/50/23/565055023.db2.gz TVFWVULXBLQVLQ-AWEZNQCLSA-N 1 2 382.892 3.399 10 0 GGAELO O=C(NCc1cscn1)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000111482861 565055025 /nfs/dbraw/zinc/05/50/25/565055025.db2.gz TVFWVULXBLQVLQ-AWEZNQCLSA-N 1 2 382.892 3.399 10 0 GGAELO CCc1nc([C@H](C)NC(=O)N2CCC[N@H+](Cc3cscn3)CC2)cs1 ZINC000111526297 565055469 /nfs/dbraw/zinc/05/54/69/565055469.db2.gz CRASXXKXBGGEDL-ZDUSSCGKSA-N 1 2 379.555 3.141 10 0 GGAELO CCc1nc([C@H](C)NC(=O)N2CCC[N@@H+](Cc3cscn3)CC2)cs1 ZINC000111526297 565055473 /nfs/dbraw/zinc/05/54/73/565055473.db2.gz CRASXXKXBGGEDL-ZDUSSCGKSA-N 1 2 379.555 3.141 10 0 GGAELO Cc1ncc(C[NH+]2CCN(C(=O)NCCc3cccc(Cl)c3)CC2)s1 ZINC000111802848 565057953 /nfs/dbraw/zinc/05/79/53/565057953.db2.gz UFVCSCUUNLCWBX-UHFFFAOYSA-N 1 2 378.929 3.175 10 0 GGAELO COc1cc(Br)ccc1C[NH2+][C@@H](CS(C)(=O)=O)c1ccccc1 ZINC000154960213 565058210 /nfs/dbraw/zinc/05/82/10/565058210.db2.gz WOQWGVIRSSFFOQ-INIZCTEOSA-N 1 2 398.322 3.333 10 0 GGAELO O=C(C[NH+]1CCC(OCCCO)CC1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000155073540 565061079 /nfs/dbraw/zinc/06/10/79/565061079.db2.gz CENBZVDWNIWUNM-UHFFFAOYSA-N 1 2 395.714 3.449 10 0 GGAELO CSc1ccc(C(=O)N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)o1 ZINC000112269270 565061489 /nfs/dbraw/zinc/06/14/89/565061489.db2.gz MXYMUKKQRSAURR-UHFFFAOYSA-N 1 2 380.897 3.492 10 0 GGAELO CCc1noc([C@H](C)N2CC[NH+](Cc3cccc(Br)c3)CC2)n1 ZINC000155128547 565062642 /nfs/dbraw/zinc/06/26/42/565062642.db2.gz CISDAQHVVVYDNB-ZDUSSCGKSA-N 1 2 379.302 3.273 10 0 GGAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)c1cc(Br)ccc1O)C2 ZINC000112725566 565065860 /nfs/dbraw/zinc/06/58/60/565065860.db2.gz BCPKOXGXAGXNIO-UHFFFAOYSA-N 1 2 378.270 3.210 10 0 GGAELO Cn1cc[nH+]c1CN1CCN(Cc2cc(Br)ccc2Cl)CC1 ZINC000112731364 565065888 /nfs/dbraw/zinc/06/58/88/565065888.db2.gz ZQOWWHRNHQFDLV-UHFFFAOYSA-N 1 2 383.721 3.154 10 0 GGAELO CN(Cc1ccc(Cl)s1)C(=O)C[N@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC000155371822 565066744 /nfs/dbraw/zinc/06/67/44/565066744.db2.gz OHYGWGULXRMLAS-UHFFFAOYSA-N 1 2 394.850 3.244 10 0 GGAELO CN(Cc1ccc(Cl)s1)C(=O)C[N@@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC000155371822 565066746 /nfs/dbraw/zinc/06/67/46/565066746.db2.gz OHYGWGULXRMLAS-UHFFFAOYSA-N 1 2 394.850 3.244 10 0 GGAELO OC[C@@H](Nc1cc(N2CCCCC2)nc[nH+]1)c1cccc(Br)c1 ZINC000155440056 565067646 /nfs/dbraw/zinc/06/76/46/565067646.db2.gz FCAGLWIGXJEDKG-OAHLLOKOSA-N 1 2 377.286 3.375 10 0 GGAELO OC[C@@H](Nc1cc(N2CCCCC2)[nH+]cn1)c1cccc(Br)c1 ZINC000155440056 565067647 /nfs/dbraw/zinc/06/76/47/565067647.db2.gz FCAGLWIGXJEDKG-OAHLLOKOSA-N 1 2 377.286 3.375 10 0 GGAELO CC(C)c1[nH+]c2c(n1C)CCN(S(=O)(=O)c1ccccc1Br)C2 ZINC000113299712 565069174 /nfs/dbraw/zinc/06/91/74/565069174.db2.gz IFIWTVYXDIHLIX-UHFFFAOYSA-N 1 2 398.326 3.053 10 0 GGAELO CC(C)c1[nH+]c2c(n1C)CCN(S(=O)(=O)c1ccc(Br)cc1)C2 ZINC000113299383 565069191 /nfs/dbraw/zinc/06/91/91/565069191.db2.gz XFJRJPRIZWBXGM-UHFFFAOYSA-N 1 2 398.326 3.053 10 0 GGAELO COc1cc[nH+]cc1NC(=O)C(=O)N[C@H]1CCc2c1ccc(Cl)c2Cl ZINC000113647263 565070782 /nfs/dbraw/zinc/07/07/82/565070782.db2.gz BFFUSJYUDCOOGM-LBPRGKRZSA-N 1 2 380.231 3.139 10 0 GGAELO O=C(C[N@@H+]1CCCC[C@H]1c1cn[nH]c1)Nc1ccc(Br)cc1F ZINC000114203196 565072716 /nfs/dbraw/zinc/07/27/16/565072716.db2.gz AQUJJUKBJMBGGX-HNNXBMFYSA-N 1 2 381.249 3.477 10 0 GGAELO O=C(C[N@H+]1CCCC[C@H]1c1cn[nH]c1)Nc1ccc(Br)cc1F ZINC000114203196 565072718 /nfs/dbraw/zinc/07/27/18/565072718.db2.gz AQUJJUKBJMBGGX-HNNXBMFYSA-N 1 2 381.249 3.477 10 0 GGAELO CCCNC(=O)CSc1nnc(SCc2c[nH+]c3ccccn23)s1 ZINC000155897595 565072846 /nfs/dbraw/zinc/07/28/46/565072846.db2.gz DZKWQAUEPIHMJC-UHFFFAOYSA-N 1 2 379.536 3.096 10 0 GGAELO O=C(NCCCCNc1cccc[nH+]1)C(=O)c1ccc(Br)cc1 ZINC000114330280 565073925 /nfs/dbraw/zinc/07/39/25/565073925.db2.gz GMSKHEHQNRVTOP-UHFFFAOYSA-N 1 2 376.254 3.035 10 0 GGAELO O=C(Nc1cccc(Br)c1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000156308915 565079089 /nfs/dbraw/zinc/07/90/89/565079089.db2.gz IWJSOOLGCXDZHT-INIZCTEOSA-N 1 2 382.302 3.168 10 0 GGAELO O=C(Nc1ccc(Br)cc1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000156307329 565079226 /nfs/dbraw/zinc/07/92/26/565079226.db2.gz NGAUGLBKEARBMH-INIZCTEOSA-N 1 2 382.302 3.168 10 0 GGAELO C[C@H]1CCN(C(=O)c2cc(Br)cc3nc[nH]c32)C[C@H]1n1cc[nH+]c1 ZINC000369206319 565081003 /nfs/dbraw/zinc/08/10/03/565081003.db2.gz MKHYTKBFBDSMHO-XHDPSFHLSA-N 1 2 388.269 3.245 10 0 GGAELO C[C@H]1CCN(C(=O)c2cc(Br)cc3nc[nH]c32)C[C@@H]1n1cc[nH+]c1 ZINC000369206318 565081334 /nfs/dbraw/zinc/08/13/34/565081334.db2.gz MKHYTKBFBDSMHO-NHYWBVRUSA-N 1 2 388.269 3.245 10 0 GGAELO Cc1cnc(C(=O)N2CC[NH+](CCc3ccc(Cl)c(Cl)c3)CC2)cn1 ZINC000156430412 565087285 /nfs/dbraw/zinc/08/72/85/565087285.db2.gz DJZUEQRFRXMFRZ-UHFFFAOYSA-N 1 2 379.291 3.092 10 0 GGAELO OCC1CCN(c2[nH+]cccc2NCc2cncc(Br)c2)CC1 ZINC000183752861 565094417 /nfs/dbraw/zinc/09/44/17/565094417.db2.gz PFMCXMHFGMDWCB-UHFFFAOYSA-N 1 2 377.286 3.060 10 0 GGAELO Cc1nccc(N2CC[NH+](Cc3ccc(Br)c4cccnc34)CC2)n1 ZINC000183784811 565095240 /nfs/dbraw/zinc/09/52/40/565095240.db2.gz AMYWYKJNOZYSLO-UHFFFAOYSA-N 1 2 398.308 3.418 10 0 GGAELO OC[C@@H]([NH2+]Cc1nc(-c2ccsc2)no1)c1cccc(Br)c1 ZINC000183885178 565100906 /nfs/dbraw/zinc/10/09/06/565100906.db2.gz MMOAVFNXIZECTM-CYBMUJFWSA-N 1 2 380.267 3.384 10 0 GGAELO CO[C@@H](C)c1noc(C[N@H+](C)Cc2ccc(I)cc2)n1 ZINC000267123412 565106887 /nfs/dbraw/zinc/10/68/87/565106887.db2.gz UUKVABYMIJNMGA-JTQLQIEISA-N 1 2 387.221 3.014 10 0 GGAELO CO[C@@H](C)c1noc(C[N@@H+](C)Cc2ccc(I)cc2)n1 ZINC000267123412 565106892 /nfs/dbraw/zinc/10/68/92/565106892.db2.gz UUKVABYMIJNMGA-JTQLQIEISA-N 1 2 387.221 3.014 10 0 GGAELO Cc1ccc(Br)cc1S(=O)(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000267540641 565120579 /nfs/dbraw/zinc/12/05/79/565120579.db2.gz BMOQQFWGFWSTDS-UHFFFAOYSA-N 1 2 384.299 3.049 10 0 GGAELO C[C@H](C(=O)Nc1ccccc1Br)[N@@H+]1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000370006017 565122049 /nfs/dbraw/zinc/12/20/49/565122049.db2.gz GRXGXLSVPUYQOW-KGLIPLIRSA-N 1 2 391.313 3.074 10 0 GGAELO C[C@H](C(=O)Nc1ccccc1Br)[N@H+]1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000370006017 565122054 /nfs/dbraw/zinc/12/20/54/565122054.db2.gz GRXGXLSVPUYQOW-KGLIPLIRSA-N 1 2 391.313 3.074 10 0 GGAELO O=C(Cc1cscc1Br)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000292676935 565127576 /nfs/dbraw/zinc/12/75/76/565127576.db2.gz KEOMGINKDLPAAP-UHFFFAOYSA-N 1 2 380.311 3.365 10 0 GGAELO Cc1cc(C[N@@H+](C)Cc2cccc(Br)c2OCC(C)(C)O)ncn1 ZINC000292717458 565130607 /nfs/dbraw/zinc/13/06/07/565130607.db2.gz FROSMTIGDSLXOF-UHFFFAOYSA-N 1 2 394.313 3.329 10 0 GGAELO Cc1cc(C[N@H+](C)Cc2cccc(Br)c2OCC(C)(C)O)ncn1 ZINC000292717458 565130609 /nfs/dbraw/zinc/13/06/09/565130609.db2.gz FROSMTIGDSLXOF-UHFFFAOYSA-N 1 2 394.313 3.329 10 0 GGAELO O=C(NCc1cc(F)cc(Br)c1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000370226509 565134427 /nfs/dbraw/zinc/13/44/27/565134427.db2.gz HEOFFCMNLOLYKZ-UHFFFAOYSA-N 1 2 381.249 3.401 10 0 GGAELO O=C(NCc1cc(F)cc(Br)c1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000370226509 565134431 /nfs/dbraw/zinc/13/44/31/565134431.db2.gz HEOFFCMNLOLYKZ-UHFFFAOYSA-N 1 2 381.249 3.401 10 0 GGAELO O=C(c1ccc(Br)c(Cl)c1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000157581063 565137596 /nfs/dbraw/zinc/13/75/96/565137596.db2.gz BAHUUQKFXRUECP-CYBMUJFWSA-N 1 2 387.705 3.039 10 0 GGAELO NC(=O)[C@H]([NH2+]Cc1nc2ccccc2n1C1CC1)c1ccc(Br)cc1 ZINC000184487878 565138288 /nfs/dbraw/zinc/13/82/88/565138288.db2.gz LOOQNOITTALSIB-GOSISDBHSA-N 1 2 399.292 3.450 10 0 GGAELO Cc1cc(Br)cc2cc(C(=O)N3CC[C@H]([NH+]4CCOCC4)C3)oc21 ZINC000157749104 565142480 /nfs/dbraw/zinc/14/24/80/565142480.db2.gz VWBVJXRMIWZZEN-HNNXBMFYSA-N 1 2 393.281 3.050 10 0 GGAELO Cc1ccc([C@H](CNC(=O)Nc2sc(C)nc2C)[NH+]2CCOCC2)s1 ZINC000268129034 565142444 /nfs/dbraw/zinc/14/24/44/565142444.db2.gz KQXDBEIQRWLJPJ-AWEZNQCLSA-N 1 2 380.539 3.325 10 0 GGAELO Cc1ccc([C@@H](CNC(=O)Nc2sc(C)nc2C)[NH+]2CCOCC2)s1 ZINC000268129035 565142642 /nfs/dbraw/zinc/14/26/42/565142642.db2.gz KQXDBEIQRWLJPJ-CQSZACIVSA-N 1 2 380.539 3.325 10 0 GGAELO O=S(=O)(/C=C/c1ccc(Br)cc1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000268310199 565146751 /nfs/dbraw/zinc/14/67/51/565146751.db2.gz ZDVCYCWUSVZZHQ-KPKJPENVSA-N 1 2 396.310 3.352 10 0 GGAELO CCc1noc(C)c1C[NH2+]Cc1cn(-c2ccccc2Br)nn1 ZINC000293074201 565149518 /nfs/dbraw/zinc/14/95/18/565149518.db2.gz VSKDAJWNQXFVOX-UHFFFAOYSA-N 1 2 376.258 3.178 10 0 GGAELO CC(C)OC[C@H](O)CSc1[nH+]cnc2c1cnn2-c1ccc(Cl)cc1 ZINC000157968454 565151290 /nfs/dbraw/zinc/15/12/90/565151290.db2.gz LQYKDRLZRKCVIS-AWEZNQCLSA-N 1 2 378.885 3.347 10 0 GGAELO COc1ccc([C@H](C)NC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)cc1Br ZINC000370672130 565155551 /nfs/dbraw/zinc/15/55/51/565155551.db2.gz BOAHKJFUOOTNBT-JQWIXIFHSA-N 1 2 393.285 3.099 10 0 GGAELO COc1ccc([C@H](C)NC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)cc1Br ZINC000370672130 565155556 /nfs/dbraw/zinc/15/55/56/565155556.db2.gz BOAHKJFUOOTNBT-JQWIXIFHSA-N 1 2 393.285 3.099 10 0 GGAELO Cc1cc(C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)c(C)cc1Br ZINC000158097984 565156244 /nfs/dbraw/zinc/15/62/44/565156244.db2.gz QGZWETYLQDXDMV-INIZCTEOSA-N 1 2 395.341 3.393 10 0 GGAELO COc1ccccc1NC(=O)C[N@H+](CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000158187060 565159565 /nfs/dbraw/zinc/15/95/65/565159565.db2.gz ORHNPZOOGLVALJ-UHFFFAOYSA-N 1 2 383.275 3.435 10 0 GGAELO COc1ccccc1NC(=O)C[N@@H+](CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000158187060 565159567 /nfs/dbraw/zinc/15/95/67/565159567.db2.gz ORHNPZOOGLVALJ-UHFFFAOYSA-N 1 2 383.275 3.435 10 0 GGAELO C[N@@H+]1CCO[C@H](CNC(=O)Nc2ccc(Br)c(Cl)c2Cl)C1 ZINC000184873885 565162500 /nfs/dbraw/zinc/16/25/00/565162500.db2.gz FKMZYMIJEUOXQR-MRVPVSSYSA-N 1 2 397.100 3.208 10 0 GGAELO C[N@H+]1CCO[C@H](CNC(=O)Nc2ccc(Br)c(Cl)c2Cl)C1 ZINC000184873885 565162504 /nfs/dbraw/zinc/16/25/04/565162504.db2.gz FKMZYMIJEUOXQR-MRVPVSSYSA-N 1 2 397.100 3.208 10 0 GGAELO C[C@H](c1ccc(Br)cc1)N1CC[NH+](C[C@H](O)C(F)(F)F)CC1 ZINC000158286195 565163900 /nfs/dbraw/zinc/16/39/00/565163900.db2.gz PFRZTIJSTNZMCO-RISCZKNCSA-N 1 2 381.236 3.051 10 0 GGAELO C[C@H](c1ccc(Br)cc1)[NH+]1CCN(C[C@H](O)C(F)(F)F)CC1 ZINC000158286195 565163905 /nfs/dbraw/zinc/16/39/05/565163905.db2.gz PFRZTIJSTNZMCO-RISCZKNCSA-N 1 2 381.236 3.051 10 0 GGAELO Brc1cccc2c1OCC[C@H]2[NH2+]Cc1nnc2n1CCCCC2 ZINC000268734674 565164833 /nfs/dbraw/zinc/16/48/33/565164833.db2.gz PIXXYRPHUAQRMJ-CQSZACIVSA-N 1 2 377.286 3.380 10 0 GGAELO Oc1ccc(N2CC[NH+](Cc3nc4cc(Br)ccc4[nH]3)CC2)cc1 ZINC000184933349 565166433 /nfs/dbraw/zinc/16/64/33/565166433.db2.gz QMEIFJTWWZPVJO-UHFFFAOYSA-N 1 2 387.281 3.353 10 0 GGAELO Brc1cscc1Cc1nc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1 ZINC000293413745 565166817 /nfs/dbraw/zinc/16/68/17/565166817.db2.gz UEVFJOPCGAJMCO-DGCLKSJQSA-N 1 2 384.299 3.410 10 0 GGAELO Brc1cscc1Cc1nc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)no1 ZINC000293413745 565166820 /nfs/dbraw/zinc/16/68/20/565166820.db2.gz UEVFJOPCGAJMCO-DGCLKSJQSA-N 1 2 384.299 3.410 10 0 GGAELO O=C1C[C@@H](c2ccccc2)[N@H+](Cc2nc3cc(Br)ccc3[nH]2)CCN1 ZINC000184961339 565167453 /nfs/dbraw/zinc/16/74/53/565167453.db2.gz PFUJTZZMAXNGCW-KRWDZBQOSA-N 1 2 399.292 3.389 10 0 GGAELO O=C1C[C@@H](c2ccccc2)[N@@H+](Cc2nc3cc(Br)ccc3[nH]2)CCN1 ZINC000184961339 565167456 /nfs/dbraw/zinc/16/74/56/565167456.db2.gz PFUJTZZMAXNGCW-KRWDZBQOSA-N 1 2 399.292 3.389 10 0 GGAELO COc1ccc([C@@H](CO)[N@H+](C)Cc2nc3cc(Br)ccc3[nH]2)cc1 ZINC000184970835 565168609 /nfs/dbraw/zinc/16/86/09/565168609.db2.gz IRMBWXORRNCHCB-QGZVFWFLSA-N 1 2 390.281 3.499 10 0 GGAELO COc1ccc([C@@H](CO)[N@@H+](C)Cc2nc3cc(Br)ccc3[nH]2)cc1 ZINC000184970835 565168613 /nfs/dbraw/zinc/16/86/13/565168613.db2.gz IRMBWXORRNCHCB-QGZVFWFLSA-N 1 2 390.281 3.499 10 0 GGAELO COc1ccc([C@@H](CO)[N@H+](C)Cc2nc3ccc(Br)cc3[nH]2)cc1 ZINC000184970835 565168616 /nfs/dbraw/zinc/16/86/16/565168616.db2.gz IRMBWXORRNCHCB-QGZVFWFLSA-N 1 2 390.281 3.499 10 0 GGAELO COc1ccc([C@@H](CO)[N@@H+](C)Cc2nc3ccc(Br)cc3[nH]2)cc1 ZINC000184970835 565168618 /nfs/dbraw/zinc/16/86/18/565168618.db2.gz IRMBWXORRNCHCB-QGZVFWFLSA-N 1 2 390.281 3.499 10 0 GGAELO Brc1ccc2nc(C[NH+]3CCC(OC[C@H]4CCCO4)CC3)[nH]c2c1 ZINC000184980077 565168944 /nfs/dbraw/zinc/16/89/44/565168944.db2.gz CMKDKNHUQQPCIF-OAHLLOKOSA-N 1 2 394.313 3.485 10 0 GGAELO CCCNC(=O)C1CC[NH+](Cc2nc3ccc(Br)cc3[nH]2)CC1 ZINC000184969641 565169282 /nfs/dbraw/zinc/16/92/82/565169282.db2.gz XODYDPORARTXGX-UHFFFAOYSA-N 1 2 379.302 3.064 10 0 GGAELO CCCCn1c(SCc2nsc(N(C)C)n2)nnc1[C@@H](CC)[NH+](C)C ZINC000158544214 565174296 /nfs/dbraw/zinc/17/42/96/565174296.db2.gz RZGAPUUEKFPJRD-GFCCVEGCSA-N 1 2 383.591 3.301 10 0 GGAELO CC[C@H]([NH2+]CCS(=O)(=O)c1cccc(Br)c1)c1nccs1 ZINC000185056310 565175610 /nfs/dbraw/zinc/17/56/10/565175610.db2.gz VYKUPSWJYBWCAN-ZDUSSCGKSA-N 1 2 389.340 3.420 10 0 GGAELO Cc1ccc(CS(=O)(=O)Cc2cc3c(cc2Br)OCO3)c(C)[nH+]1 ZINC000185138282 565180122 /nfs/dbraw/zinc/18/01/22/565180122.db2.gz HWDPTMXWDBWHDV-UHFFFAOYSA-N 1 2 398.278 3.305 10 0 GGAELO Brc1cccc(-c2cnc(C[N@@H+]3CCO[C@@]4(CCOC4)C3)o2)c1 ZINC000185154169 565181860 /nfs/dbraw/zinc/18/18/60/565181860.db2.gz VRVVNZRNVDYFGW-KRWDZBQOSA-N 1 2 379.254 3.095 10 0 GGAELO Brc1cccc(-c2cnc(C[N@H+]3CCO[C@@]4(CCOC4)C3)o2)c1 ZINC000185154169 565181866 /nfs/dbraw/zinc/18/18/66/565181866.db2.gz VRVVNZRNVDYFGW-KRWDZBQOSA-N 1 2 379.254 3.095 10 0 GGAELO CCn1cc[nH+]c1CS(=O)(=O)Cc1nc(-c2c(F)cccc2F)cs1 ZINC000185183046 565184172 /nfs/dbraw/zinc/18/41/72/565184172.db2.gz IVBKKEYNINUFAC-UHFFFAOYSA-N 1 2 383.445 3.420 10 0 GGAELO C[C@H](CC(=O)c1cccc(Br)c1)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000371301336 565186541 /nfs/dbraw/zinc/18/65/41/565186541.db2.gz FDQXBWOMLKWPRC-BXUZGUMPSA-N 1 2 390.281 3.055 10 0 GGAELO C[C@H](CC(=O)c1cccc(Br)c1)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000371301336 565186544 /nfs/dbraw/zinc/18/65/44/565186544.db2.gz FDQXBWOMLKWPRC-BXUZGUMPSA-N 1 2 390.281 3.055 10 0 GGAELO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1Cc1nc2cc(Br)ccc2[nH]1 ZINC000158931926 565186831 /nfs/dbraw/zinc/18/68/31/565186831.db2.gz DQZIYRPKKLRJAI-OAHLLOKOSA-N 1 2 379.302 3.158 10 0 GGAELO CCN(CC)C(=O)[C@H]1CCC[N@H+]1Cc1nc2cc(Br)ccc2[nH]1 ZINC000158931926 565186833 /nfs/dbraw/zinc/18/68/33/565186833.db2.gz DQZIYRPKKLRJAI-OAHLLOKOSA-N 1 2 379.302 3.158 10 0 GGAELO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1Cc1nc2cc(Br)ccc2[nH]1 ZINC000158931800 565187521 /nfs/dbraw/zinc/18/75/21/565187521.db2.gz DQZIYRPKKLRJAI-HNNXBMFYSA-N 1 2 379.302 3.158 10 0 GGAELO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1Cc1nc2cc(Br)ccc2[nH]1 ZINC000158931800 565187527 /nfs/dbraw/zinc/18/75/27/565187527.db2.gz DQZIYRPKKLRJAI-HNNXBMFYSA-N 1 2 379.302 3.158 10 0 GGAELO Cc1ccc(CS(=O)(=O)CCC(=O)Nc2ccc(Cl)cc2F)c(C)[nH+]1 ZINC000185232194 565187977 /nfs/dbraw/zinc/18/79/77/565187977.db2.gz CRDZLZMZAFQZJV-UHFFFAOYSA-N 1 2 384.860 3.435 10 0 GGAELO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)c1cc(Br)cc(C(F)(F)F)c1 ZINC000371358785 565188446 /nfs/dbraw/zinc/18/84/46/565188446.db2.gz DGUHOLJGNROPDX-NSHDSACASA-N 1 2 388.187 3.478 10 0 GGAELO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)c1cc(Br)cc(C(F)(F)F)c1 ZINC000371358785 565188451 /nfs/dbraw/zinc/18/84/51/565188451.db2.gz DGUHOLJGNROPDX-NSHDSACASA-N 1 2 388.187 3.478 10 0 GGAELO Cc1ccc(CS(=O)(=O)CC(=O)Nc2ccc(Br)cc2)c(C)[nH+]1 ZINC000185238445 565189719 /nfs/dbraw/zinc/18/97/19/565189719.db2.gz MPUSQLGTHWXDMQ-UHFFFAOYSA-N 1 2 397.294 3.014 10 0 GGAELO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)c1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC000371454327 565193799 /nfs/dbraw/zinc/19/37/99/565193799.db2.gz GOGRQJJSEQBEGW-LLVKDONJSA-N 1 2 376.247 3.190 10 0 GGAELO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)c1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC000371454327 565193802 /nfs/dbraw/zinc/19/38/02/565193802.db2.gz GOGRQJJSEQBEGW-LLVKDONJSA-N 1 2 376.247 3.190 10 0 GGAELO Cc1c(Br)scc1C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000185369768 565198536 /nfs/dbraw/zinc/19/85/36/565198536.db2.gz DBQORMJPAMRSBA-ZDUSSCGKSA-N 1 2 387.343 3.146 10 0 GGAELO Cn1ccnc1C[NH+]1CCC(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)CC1 ZINC000159268071 565199249 /nfs/dbraw/zinc/19/92/49/565199249.db2.gz CKGJFLASNOMFCO-UHFFFAOYSA-N 1 2 383.279 3.283 10 0 GGAELO CC[N@H+](CCc1nccs1)Cc1nc2cc(S(=O)(=O)CC)ccc2o1 ZINC000159276570 565200164 /nfs/dbraw/zinc/20/01/64/565200164.db2.gz PWOCGVLDPAXXRK-UHFFFAOYSA-N 1 2 379.507 3.143 10 0 GGAELO CC[N@@H+](CCc1nccs1)Cc1nc2cc(S(=O)(=O)CC)ccc2o1 ZINC000159276570 565200167 /nfs/dbraw/zinc/20/01/67/565200167.db2.gz PWOCGVLDPAXXRK-UHFFFAOYSA-N 1 2 379.507 3.143 10 0 GGAELO Cc1nc(N2CCN(C(=O)CSCc3ccc(Cl)cc3)CC2)cc[nH+]1 ZINC000185420135 565200314 /nfs/dbraw/zinc/20/03/14/565200314.db2.gz VGQGNPJTCRYKRM-UHFFFAOYSA-N 1 2 376.913 3.020 10 0 GGAELO Cc1nc(N2CCN(C(=O)CCSc3ccc(Cl)cc3)CC2)cc[nH+]1 ZINC000185438095 565201372 /nfs/dbraw/zinc/20/13/72/565201372.db2.gz HVYABDIHBDANFA-UHFFFAOYSA-N 1 2 376.913 3.269 10 0 GGAELO Cc1cc(C(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)c(C)cc1Br ZINC000185436518 565201441 /nfs/dbraw/zinc/20/14/41/565201441.db2.gz BEJZFARNPWLLNL-UHFFFAOYSA-N 1 2 389.297 3.127 10 0 GGAELO CCOc1cc(CN2CCn3cc(C)[nH+]c3C2)cc(Br)c1OC ZINC000371674247 565204850 /nfs/dbraw/zinc/20/48/50/565204850.db2.gz FBGHMOZWUIYKEP-UHFFFAOYSA-N 1 2 380.286 3.377 10 0 GGAELO CN(C)c1[nH+]cccc1CNC(=O)N1Cc2cccc(Br)c2C1 ZINC000185536856 565206418 /nfs/dbraw/zinc/20/64/18/565206418.db2.gz SUFZLMOILUGPIX-UHFFFAOYSA-N 1 2 375.270 3.136 10 0 GGAELO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)Cc2cscc2Br)CC1 ZINC000294297751 565206467 /nfs/dbraw/zinc/20/64/67/565206467.db2.gz NCXYTVCYJRWJLB-ZDUSSCGKSA-N 1 2 394.338 3.354 10 0 GGAELO O=C(c1cc(Br)c(F)cc1O)N1CCC([NH+]2CCCCC2)CC1 ZINC000294441657 565213575 /nfs/dbraw/zinc/21/35/75/565213575.db2.gz HAMLOCGXFBFGEI-UHFFFAOYSA-N 1 2 385.277 3.384 10 0 GGAELO C[C@@H](C[N@@H+]1CCC[C@@H]1c1cc(F)cc(Br)c1)CS(C)(=O)=O ZINC000185641409 565213746 /nfs/dbraw/zinc/21/37/46/565213746.db2.gz XUPCPENGBKELJR-XHDPSFHLSA-N 1 2 378.307 3.406 10 0 GGAELO C[C@@H](C[N@H+]1CCC[C@@H]1c1cc(F)cc(Br)c1)CS(C)(=O)=O ZINC000185641409 565213749 /nfs/dbraw/zinc/21/37/49/565213749.db2.gz XUPCPENGBKELJR-XHDPSFHLSA-N 1 2 378.307 3.406 10 0 GGAELO O=C(NCCc1cc(Br)ccc1F)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000371901753 565214216 /nfs/dbraw/zinc/21/42/16/565214216.db2.gz CXSAJBBOMIOWRZ-UHFFFAOYSA-N 1 2 395.276 3.443 10 0 GGAELO O=C(NCCc1cc(Br)ccc1F)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000371901753 565214221 /nfs/dbraw/zinc/21/42/21/565214221.db2.gz CXSAJBBOMIOWRZ-UHFFFAOYSA-N 1 2 395.276 3.443 10 0 GGAELO C[C@H](NC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1)c1cn[nH]c1 ZINC000270310443 565214899 /nfs/dbraw/zinc/21/48/99/565214899.db2.gz YTPIXHVMRVZAQG-LRDDRELGSA-N 1 2 377.286 3.187 10 0 GGAELO C[C@@H](NC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1)c1cn[nH]c1 ZINC000270310445 565214926 /nfs/dbraw/zinc/21/49/26/565214926.db2.gz YTPIXHVMRVZAQG-MLGOLLRUSA-N 1 2 377.286 3.187 10 0 GGAELO C[C@@]1(C(N)=O)CCCC[N@@H+]1Cc1ncc(-c2ccc(Br)cc2)o1 ZINC000185912653 565228284 /nfs/dbraw/zinc/22/82/84/565228284.db2.gz WSVNTQCUJROELB-KRWDZBQOSA-N 1 2 378.270 3.334 10 0 GGAELO C[C@@]1(C(N)=O)CCCC[N@H+]1Cc1ncc(-c2ccc(Br)cc2)o1 ZINC000185912653 565228287 /nfs/dbraw/zinc/22/82/87/565228287.db2.gz WSVNTQCUJROELB-KRWDZBQOSA-N 1 2 378.270 3.334 10 0 GGAELO C[C@]1(C(N)=O)CCCC[N@@H+]1Cc1ncc(-c2ccc(Br)cc2)o1 ZINC000185912635 565228784 /nfs/dbraw/zinc/22/87/84/565228784.db2.gz WSVNTQCUJROELB-QGZVFWFLSA-N 1 2 378.270 3.334 10 0 GGAELO C[C@]1(C(N)=O)CCCC[N@H+]1Cc1ncc(-c2ccc(Br)cc2)o1 ZINC000185912635 565228790 /nfs/dbraw/zinc/22/87/90/565228790.db2.gz WSVNTQCUJROELB-QGZVFWFLSA-N 1 2 378.270 3.334 10 0 GGAELO O=S(=O)(NC1CC[NH+](Cc2cccc(O)c2Cl)CC1)c1cccs1 ZINC000294829019 565230850 /nfs/dbraw/zinc/23/08/50/565230850.db2.gz GXFMBTLMUFJKCR-UHFFFAOYSA-N 1 2 386.926 3.050 10 0 GGAELO Cn1nc(Br)c2c1nc[nH+]c2NCc1ncc(-c2ccccc2)cn1 ZINC000185995544 565233283 /nfs/dbraw/zinc/23/32/83/565233283.db2.gz RSEBNSNDYLMZEH-UHFFFAOYSA-N 1 2 396.252 3.195 10 0 GGAELO NC(=O)[C@H]([NH2+][C@@H]1CCOc2c(Br)cccc21)c1ccc(F)cc1 ZINC000372519652 565243293 /nfs/dbraw/zinc/24/32/93/565243293.db2.gz BFRUCWYYCNHFRW-HUUCEWRRSA-N 1 2 379.229 3.228 10 0 GGAELO C[C@H](C(=O)Nc1ccccc1Br)[N@@H+]1CCC[C@H](c2ccncn2)C1 ZINC000372587090 565246150 /nfs/dbraw/zinc/24/61/50/565246150.db2.gz UZDTZUJIXJQCIL-KGLIPLIRSA-N 1 2 389.297 3.446 10 0 GGAELO C[C@H](C(=O)Nc1ccccc1Br)[N@H+]1CCC[C@H](c2ccncn2)C1 ZINC000372587090 565246153 /nfs/dbraw/zinc/24/61/53/565246153.db2.gz UZDTZUJIXJQCIL-KGLIPLIRSA-N 1 2 389.297 3.446 10 0 GGAELO C[C@@H](C(=O)Nc1ccccc1Br)[N@@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000372587093 565246933 /nfs/dbraw/zinc/24/69/33/565246933.db2.gz UZDTZUJIXJQCIL-UONOGXRCSA-N 1 2 389.297 3.446 10 0 GGAELO C[C@@H](C(=O)Nc1ccccc1Br)[N@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000372587093 565246936 /nfs/dbraw/zinc/24/69/36/565246936.db2.gz UZDTZUJIXJQCIL-UONOGXRCSA-N 1 2 389.297 3.446 10 0 GGAELO O=C([C@@H](c1ccc(Br)cc1)[NH+]1CCCC1)N1CCCn2nccc21 ZINC000271325122 565248711 /nfs/dbraw/zinc/24/87/11/565248711.db2.gz ZOPDSNLQMVESCA-QGZVFWFLSA-N 1 2 389.297 3.219 10 0 GGAELO O=C(c1cc(Br)ccc1Br)N1CCn2cc[nH+]c2C1 ZINC000160542282 565249850 /nfs/dbraw/zinc/24/98/50/565249850.db2.gz WFNMXSRLAGDVPM-UHFFFAOYSA-N 1 2 385.059 3.064 10 0 GGAELO O=C(Nc1cc(Cl)cc(C(F)(F)F)c1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000186300805 565253360 /nfs/dbraw/zinc/25/33/60/565253360.db2.gz ZGEUZFUVHPLQMT-CQSZACIVSA-N 1 2 377.794 3.297 10 0 GGAELO Cc1c([C@@H](C)[NH2+][C@@H](C)c2cn[nH]c2)nnn1-c1cccc(Br)c1 ZINC000271478473 565255591 /nfs/dbraw/zinc/25/55/91/565255591.db2.gz JJIOKSWTGMPZLZ-WDEREUQCSA-N 1 2 375.274 3.473 10 0 GGAELO COC(=O)[C@@]1(C)CCC[N@@H+]1Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000186338632 565256213 /nfs/dbraw/zinc/25/62/13/565256213.db2.gz UKSMJNFMMLIKDR-GOSISDBHSA-N 1 2 390.281 3.434 10 0 GGAELO COC(=O)[C@@]1(C)CCC[N@H+]1Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000186338632 565256214 /nfs/dbraw/zinc/25/62/14/565256214.db2.gz UKSMJNFMMLIKDR-GOSISDBHSA-N 1 2 390.281 3.434 10 0 GGAELO Brc1ccc2[nH]c(C[N@@H+]3CCCN(c4nccs4)CC3)nc2c1 ZINC000186757592 565283810 /nfs/dbraw/zinc/28/38/10/565283810.db2.gz CEWHMBZAHFVEEH-UHFFFAOYSA-N 1 2 392.326 3.494 10 0 GGAELO Brc1ccc2[nH]c(C[N@H+]3CCCN(c4nccs4)CC3)nc2c1 ZINC000186757592 565283815 /nfs/dbraw/zinc/28/38/15/565283815.db2.gz CEWHMBZAHFVEEH-UHFFFAOYSA-N 1 2 392.326 3.494 10 0 GGAELO Brc1ccc2nc(C[N@@H+]3CCCN(c4nccs4)CC3)[nH]c2c1 ZINC000186757592 565283818 /nfs/dbraw/zinc/28/38/18/565283818.db2.gz CEWHMBZAHFVEEH-UHFFFAOYSA-N 1 2 392.326 3.494 10 0 GGAELO Brc1ccc2nc(C[N@H+]3CCCN(c4nccs4)CC3)[nH]c2c1 ZINC000186757592 565283827 /nfs/dbraw/zinc/28/38/27/565283827.db2.gz CEWHMBZAHFVEEH-UHFFFAOYSA-N 1 2 392.326 3.494 10 0 GGAELO CCOC(=O)C1CCC(O)(C[N@@H+]2CCO[C@@H](c3ccc(Cl)s3)C2)CC1 ZINC000373787795 565303391 /nfs/dbraw/zinc/30/33/91/565303391.db2.gz PBVAODVEOYGLBF-TXKKKEFDSA-N 1 2 387.929 3.259 10 0 GGAELO CCOC(=O)C1CCC(O)(C[N@H+]2CCO[C@@H](c3ccc(Cl)s3)C2)CC1 ZINC000373787795 565303394 /nfs/dbraw/zinc/30/33/94/565303394.db2.gz PBVAODVEOYGLBF-TXKKKEFDSA-N 1 2 387.929 3.259 10 0 GGAELO O[C@@H](COCc1ccc(Cl)cc1)C[N@@H+]1CCSC[C@@H]1c1nccs1 ZINC000187036722 565303596 /nfs/dbraw/zinc/30/35/96/565303596.db2.gz DZZNJVFLXASHDN-HZPDHXFCSA-N 1 2 384.954 3.464 10 0 GGAELO O[C@@H](COCc1ccc(Cl)cc1)C[N@H+]1CCSC[C@@H]1c1nccs1 ZINC000187036722 565303600 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C[C@@H]1C[C@]2(CCO1)C[N@H+](C[C@H](O)c1cccc(Br)c1)C[C@H](C)O2 ZINC000374017104 565316047 /nfs/dbraw/zinc/31/60/47/565316047.db2.gz IQLCHYWVHZWIRJ-IDCJVQTKSA-N 1 2 384.314 3.141 10 0 GGAELO CCC(=O)c1cccc(S(=O)(=O)NCc2cn3cc(Cl)ccc3[nH+]2)c1 ZINC000162395885 565316002 /nfs/dbraw/zinc/31/60/02/565316002.db2.gz JEIVWVRKUMSNOH-UHFFFAOYSA-N 1 2 377.853 3.059 10 0 GGAELO OC[C@]1([NH2+]Cc2nc3cc(Br)ccc3[nH]2)CCOc2ccccc21 ZINC000374134247 565322010 /nfs/dbraw/zinc/32/20/10/565322010.db2.gz AHOOPKSBKGMSAR-GOSISDBHSA-N 1 2 388.265 3.085 10 0 GGAELO OC[C@]1([NH2+]Cc2nc3ccc(Br)cc3[nH]2)CCOc2ccccc21 ZINC000374134247 565322015 /nfs/dbraw/zinc/32/20/15/565322015.db2.gz AHOOPKSBKGMSAR-GOSISDBHSA-N 1 2 388.265 3.085 10 0 GGAELO C[C@H]([NH2+][C@H]1CCN(c2ccccc2)C1=O)c1ncc(Br)cc1F ZINC000187309704 565322901 /nfs/dbraw/zinc/32/29/01/565322901.db2.gz GRPKFGQVPMYJFB-NHYWBVRUSA-N 1 2 378.245 3.439 10 0 GGAELO CC[C@H](NC(=O)N1CCC[N@H+](Cc2csc(C)n2)CC1)c1nccs1 ZINC000162634582 565323484 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CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000378067463 565510408 /nfs/dbraw/zinc/51/04/08/565510408.db2.gz HRKUESVRRNOCDH-CYBMUJFWSA-N 1 2 395.276 3.400 10 0 GGAELO C[C@@H](Oc1ccc(F)cc1Br)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000378082301 565511852 /nfs/dbraw/zinc/51/18/52/565511852.db2.gz GLVWXEGHRPWMLY-LLVKDONJSA-N 1 2 396.260 3.485 10 0 GGAELO C[C@@H](Oc1ccc(F)cc1Br)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000378082301 565511856 /nfs/dbraw/zinc/51/18/56/565511856.db2.gz GLVWXEGHRPWMLY-LLVKDONJSA-N 1 2 396.260 3.485 10 0 GGAELO O=C1[C@H]([N@@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)CCN1c1ccc(Cl)cc1 ZINC000277662790 565513194 /nfs/dbraw/zinc/51/31/94/565513194.db2.gz FBCRFYDXJJMEPS-GLQYFDAESA-N 1 2 376.806 3.081 10 0 GGAELO O=C1[C@H]([N@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)CCN1c1ccc(Cl)cc1 ZINC000277662790 565513199 /nfs/dbraw/zinc/51/31/99/565513199.db2.gz FBCRFYDXJJMEPS-GLQYFDAESA-N 1 2 376.806 3.081 10 0 GGAELO COc1cccc(S(=O)(=O)CC[N@@H+]2CC[C@@H](C(F)(F)F)C(C)(C)C2)c1 ZINC000190180316 565514010 /nfs/dbraw/zinc/51/40/10/565514010.db2.gz SBYGAOQJPNDHSP-OAHLLOKOSA-N 1 2 379.444 3.379 10 0 GGAELO COc1cccc(S(=O)(=O)CC[N@H+]2CC[C@@H](C(F)(F)F)C(C)(C)C2)c1 ZINC000190180316 565514016 /nfs/dbraw/zinc/51/40/16/565514016.db2.gz SBYGAOQJPNDHSP-OAHLLOKOSA-N 1 2 379.444 3.379 10 0 GGAELO COCCN(Cc1sccc1Br)C(=O)[C@@H]1CCCn2cc[nH+]c21 ZINC000190189983 565514907 /nfs/dbraw/zinc/51/49/07/565514907.db2.gz ZRLOBSYRKDQUGY-GFCCVEGCSA-N 1 2 398.326 3.260 10 0 GGAELO Cc1cc(Br)ccc1SCC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000378198824 565515374 /nfs/dbraw/zinc/51/53/74/565515374.db2.gz HJMZKAFNNJJLPY-GFCCVEGCSA-N 1 2 380.311 3.246 10 0 GGAELO Cc1cc(Br)ccc1SCC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000378198824 565515381 /nfs/dbraw/zinc/51/53/81/565515381.db2.gz HJMZKAFNNJJLPY-GFCCVEGCSA-N 1 2 380.311 3.246 10 0 GGAELO CC[C@@H](Cc1cccc(Br)c1)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000378200159 565515488 /nfs/dbraw/zinc/51/54/88/565515488.db2.gz JZDCQNSYEHSUGD-ZFWWWQNUSA-N 1 2 376.298 3.415 10 0 GGAELO CC[C@@H](Cc1cccc(Br)c1)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000378200159 565515492 /nfs/dbraw/zinc/51/54/92/565515492.db2.gz JZDCQNSYEHSUGD-ZFWWWQNUSA-N 1 2 376.298 3.415 10 0 GGAELO Clc1ccc(CC[NH+]2CCN(c3ncnc4[nH]cnc43)CC2)cc1Cl ZINC000301894457 565517046 /nfs/dbraw/zinc/51/70/46/565517046.db2.gz PJMKZYMWPOQFDO-UHFFFAOYSA-N 1 2 377.279 3.024 10 0 GGAELO CCS(=O)(=O)c1c(Cl)cccc1C[N@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000190286787 565520016 /nfs/dbraw/zinc/52/00/16/565520016.db2.gz ZTODIDXEGMDOEP-HOTGVXAUSA-N 1 2 399.965 3.403 10 0 GGAELO CCS(=O)(=O)c1c(Cl)cccc1C[N@@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000190286787 565520021 /nfs/dbraw/zinc/52/00/21/565520021.db2.gz ZTODIDXEGMDOEP-HOTGVXAUSA-N 1 2 399.965 3.403 10 0 GGAELO CCc1cnc(CCNC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)s1 ZINC000173036374 565521361 /nfs/dbraw/zinc/52/13/61/565521361.db2.gz LEGGFLSLQXYLOA-SFHVURJKSA-N 1 2 375.563 3.154 10 0 GGAELO CC(C)Oc1cc(Br)cc(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000378315894 565521534 /nfs/dbraw/zinc/52/15/34/565521534.db2.gz WYVJGHWXHGIDRH-CYBMUJFWSA-N 1 2 378.270 3.247 10 0 GGAELO CC(C)Oc1cc(Br)cc(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000378315894 565521537 /nfs/dbraw/zinc/52/15/37/565521537.db2.gz WYVJGHWXHGIDRH-CYBMUJFWSA-N 1 2 378.270 3.247 10 0 GGAELO O=C(Cc1csc(-c2ccc(Cl)s2)n1)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000378320299 565521565 /nfs/dbraw/zinc/52/15/65/565521565.db2.gz XHWFDLCGAWYCII-VIFPVBQESA-N 1 2 378.910 3.464 10 0 GGAELO O=C(Cc1csc(-c2ccc(Cl)s2)n1)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000378320299 565521568 /nfs/dbraw/zinc/52/15/68/565521568.db2.gz XHWFDLCGAWYCII-VIFPVBQESA-N 1 2 378.910 3.464 10 0 GGAELO Cc1nc2c(s1)[C@H](Nc1[nH+]cnc3c1c(Br)nn3C)CCC2 ZINC000302014005 565525624 /nfs/dbraw/zinc/52/56/24/565525624.db2.gz DULNDAOWUNYLCX-SECBINFHSA-N 1 2 379.287 3.380 10 0 GGAELO Cn1nc(Br)c2c1nc[nH+]c2N[C@H](c1ccccc1)[C@H]1CCOC1 ZINC000378411091 565526325 /nfs/dbraw/zinc/52/63/25/565526325.db2.gz KHGFLVQMBWWVLE-GXTWGEPZSA-N 1 2 388.269 3.316 10 0 GGAELO CNC(=O)Cc1nc(C[NH2+][C@H](C)c2ccc(Br)cc2OC)cs1 ZINC000190453184 565533189 /nfs/dbraw/zinc/53/31/89/565533189.db2.gz GNADZJGUQCWPKZ-SNVBAGLBSA-N 1 2 398.326 3.054 10 0 GGAELO COc1cc(Br)ccc1[C@H](C)[NH2+]Cc1cc(=O)n2ccsc2n1 ZINC000190447758 565533352 /nfs/dbraw/zinc/53/33/52/565533352.db2.gz SCAILFHIWWDUHI-JTQLQIEISA-N 1 2 394.294 3.378 10 0 GGAELO C[C@H]1COCC[C@@H]1[NH2+]Cc1cc(Br)c(O)c(Br)c1 ZINC000302285638 565540038 /nfs/dbraw/zinc/54/00/38/565540038.db2.gz CBEVHMHSOWDTIQ-UFBFGSQYSA-N 1 2 379.092 3.432 10 0 GGAELO Cn1cc([C@H]2CC[N@@H+]([C@@H]3CCN(c4ccc(Cl)cc4Cl)C3=O)C2)cn1 ZINC000190572806 565542779 /nfs/dbraw/zinc/54/27/79/565542779.db2.gz WIZFYKKEVOXPTB-YVEFUNNKSA-N 1 2 379.291 3.322 10 0 GGAELO Cn1cc([C@H]2CC[N@H+]([C@@H]3CCN(c4ccc(Cl)cc4Cl)C3=O)C2)cn1 ZINC000190572806 565542785 /nfs/dbraw/zinc/54/27/85/565542785.db2.gz WIZFYKKEVOXPTB-YVEFUNNKSA-N 1 2 379.291 3.322 10 0 GGAELO C[C@@H]1C[NH+]=C(N2CCN(c3nn4cc(C5CCCC5)nc4s3)CC2)S1 ZINC000302503060 565543493 /nfs/dbraw/zinc/54/34/93/565543493.db2.gz DFGKUSHPVHRNMV-GFCCVEGCSA-N 1 2 376.555 3.062 10 0 GGAELO CC(C)n1cc(Br)cc1C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000173308542 565546641 /nfs/dbraw/zinc/54/66/41/565546641.db2.gz IHPHEIYTUIOTIP-INIZCTEOSA-N 1 2 398.345 3.158 10 0 GGAELO CC(C)n1cc(Br)cc1C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000173308525 565547028 /nfs/dbraw/zinc/54/70/28/565547028.db2.gz IHPHEIYTUIOTIP-MRXNPFEDSA-N 1 2 398.345 3.158 10 0 GGAELO O=C(/C=C/c1cc(Br)cs1)NCc1cccnc1-n1cc[nH+]c1 ZINC000173324160 565549342 /nfs/dbraw/zinc/54/93/42/565549342.db2.gz MBPXQJLEJLDICT-ONEGZZNKSA-N 1 2 389.278 3.421 10 0 GGAELO COc1ccc(Br)cc1CC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000173350836 565551594 /nfs/dbraw/zinc/55/15/94/565551594.db2.gz JTUSANUPUOUDTG-CQSZACIVSA-N 1 2 378.270 3.477 10 0 GGAELO O=C(NCc1cccs1)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000302852869 565560568 /nfs/dbraw/zinc/56/05/68/565560568.db2.gz WJMCSFZOJOZEFL-UHFFFAOYSA-N 1 2 379.913 3.308 10 0 GGAELO Cn1ncc2c1nc(NCC1(c3cccc(Br)c3)CCC1)[nH+]c2N ZINC000302864230 565561602 /nfs/dbraw/zinc/56/16/02/565561602.db2.gz XJKIPKLIAVJJJW-UHFFFAOYSA-N 1 2 387.285 3.242 10 0 GGAELO C[C@@H](CNC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1)c1nccs1 ZINC000190832528 565562023 /nfs/dbraw/zinc/56/20/23/565562023.db2.gz LJKPMPCNGQHYPP-ZDUSSCGKSA-N 1 2 378.929 3.258 10 0 GGAELO C[C@@H](CNC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1)c1nccs1 ZINC000190832528 565562028 /nfs/dbraw/zinc/56/20/28/565562028.db2.gz LJKPMPCNGQHYPP-ZDUSSCGKSA-N 1 2 378.929 3.258 10 0 GGAELO Cn1ncc2c1nc(NCc1cc(Cl)cc(Cl)c1OC(F)F)[nH+]c2N ZINC000302878309 565561974 /nfs/dbraw/zinc/56/19/74/565561974.db2.gz GZGKTNOHSJUQPU-UHFFFAOYSA-N 1 2 389.193 3.466 10 0 GGAELO CCOCCOc1cc(C)ccc1C[NH2+]Cc1c(Br)cnn1C ZINC000278521744 565563048 /nfs/dbraw/zinc/56/30/48/565563048.db2.gz QJPBUNDFZYDLRV-UHFFFAOYSA-N 1 2 382.302 3.196 10 0 GGAELO CC[C@H](Cc1ccccc1Br)N(C)c1nc2c(cnn2C)c(N)[nH+]1 ZINC000302887813 565563379 /nfs/dbraw/zinc/56/33/79/565563379.db2.gz OAXSYNSHMFFFBT-GFCCVEGCSA-N 1 2 389.301 3.166 10 0 GGAELO CCc1csc([C@H]2CCCN(c3cc(N4CCSCC4)nc[nH+]3)C2)n1 ZINC000302905014 565563654 /nfs/dbraw/zinc/56/36/54/565563654.db2.gz SHMCKHUOSJVRFU-AWEZNQCLSA-N 1 2 375.567 3.433 10 0 GGAELO CCc1csc([C@H]2CCCN(c3cc(N4CCSCC4)[nH+]cn3)C2)n1 ZINC000302905014 565563658 /nfs/dbraw/zinc/56/36/58/565563658.db2.gz SHMCKHUOSJVRFU-AWEZNQCLSA-N 1 2 375.567 3.433 10 0 GGAELO Brc1cccc2c1CN(c1cc(N3CCSCC3)[nH+]cn1)CC2 ZINC000302882324 565563674 /nfs/dbraw/zinc/56/36/74/565563674.db2.gz IRQSQIRILQAELH-UHFFFAOYSA-N 1 2 391.338 3.355 10 0 GGAELO Brc1cccc2c1CN(c1cc(N3CCSCC3)nc[nH+]1)CC2 ZINC000302882324 565563678 /nfs/dbraw/zinc/56/36/78/565563678.db2.gz IRQSQIRILQAELH-UHFFFAOYSA-N 1 2 391.338 3.355 10 0 GGAELO Brc1ccc([C@H]2CCCN2c2cc(N3CCOCC3)[nH+]cn2)cc1 ZINC000302903731 565563770 /nfs/dbraw/zinc/56/37/70/565563770.db2.gz ROYQORPYCGLDEU-MRXNPFEDSA-N 1 2 389.297 3.417 10 0 GGAELO Brc1ccc([C@H]2CCCN2c2cc(N3CCOCC3)nc[nH+]2)cc1 ZINC000302903731 565563773 /nfs/dbraw/zinc/56/37/73/565563773.db2.gz ROYQORPYCGLDEU-MRXNPFEDSA-N 1 2 389.297 3.417 10 0 GGAELO CC[C@H](C)C(=O)Nc1cccc(C[NH2+]Cc2c(Br)cnn2C)c1 ZINC000278537575 565564216 /nfs/dbraw/zinc/56/42/16/565564216.db2.gz SPSVOXZWQVFORH-LBPRGKRZSA-N 1 2 379.302 3.457 10 0 GGAELO C[C@@H]([NH2+]Cc1ncc(C(F)(F)F)s1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000278572229 565565796 /nfs/dbraw/zinc/56/57/96/565565796.db2.gz DSUXZFRCCDJZFS-SNVBAGLBSA-N 1 2 393.456 3.263 10 0 GGAELO CC(C)[C@@](C)(CO)[NH2+]Cc1cc(Br)c(O)c(Br)c1 ZINC000398488278 565578040 /nfs/dbraw/zinc/57/80/40/565578040.db2.gz FIXDMAKLDNXFAJ-CYBMUJFWSA-N 1 2 381.108 3.414 10 0 GGAELO CO[C@]1(CO)CCC[N@H+](CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)C1 ZINC000401796525 565581522 /nfs/dbraw/zinc/58/15/22/565581522.db2.gz YZRSUIQMMRKNNM-OAHLLOKOSA-N 1 2 381.687 3.059 10 0 GGAELO CO[C@]1(CO)CCC[N@@H+](CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)C1 ZINC000401796525 565581527 /nfs/dbraw/zinc/58/15/27/565581527.db2.gz YZRSUIQMMRKNNM-OAHLLOKOSA-N 1 2 381.687 3.059 10 0 GGAELO C[C@H](NC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)c1cc(F)c(Cl)cc1Cl ZINC000173766383 565583951 /nfs/dbraw/zinc/58/39/51/565583951.db2.gz MIADWAIVYDDDCA-NWDGAFQWSA-N 1 2 390.286 3.310 10 0 GGAELO Cn1c[nH+]c(CCNC(=O)c2ccc(Br)c(C(F)(F)F)c2)c1 ZINC000313490568 565584471 /nfs/dbraw/zinc/58/44/71/565584471.db2.gz HPCUSDXCSFAMDZ-UHFFFAOYSA-N 1 2 376.176 3.174 10 0 GGAELO COc1ccc([C@H]2C[C@H](C)[N@H+](Cc3csc(CS(C)(=O)=O)n3)C2)cc1 ZINC000173774650 565584951 /nfs/dbraw/zinc/58/49/51/565584951.db2.gz UJVYZHNIPIAFKZ-ZFWWWQNUSA-N 1 2 380.535 3.074 10 0 GGAELO COc1ccc([C@H]2C[C@H](C)[N@@H+](Cc3csc(CS(C)(=O)=O)n3)C2)cc1 ZINC000173774650 565584955 /nfs/dbraw/zinc/58/49/55/565584955.db2.gz UJVYZHNIPIAFKZ-ZFWWWQNUSA-N 1 2 380.535 3.074 10 0 GGAELO C[C@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)c1cccc(Br)c1 ZINC000173792028 565586003 /nfs/dbraw/zinc/58/60/03/565586003.db2.gz SNQBPINAHIPWNT-WMLDXEAASA-N 1 2 396.329 3.016 10 0 GGAELO Cc1cc(Br)cc(C)c1NC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173800980 565587766 /nfs/dbraw/zinc/58/77/66/565587766.db2.gz BYVZAFLMXWEKPM-OAHLLOKOSA-N 1 2 382.302 3.004 10 0 GGAELO Cn1c2c([nH+]c1[C@H]1CCCN1C(=O)c1ccc(Br)cn1)CCCC2 ZINC000279132854 565597191 /nfs/dbraw/zinc/59/71/91/565597191.db2.gz FDXJXNSQNFBCIX-MRXNPFEDSA-N 1 2 389.297 3.434 10 0 GGAELO Brc1ccc(-c2nc(CN3CC[C@H]([NH+]4CCOCC4)C3)co2)cc1 ZINC000173904883 565598071 /nfs/dbraw/zinc/59/80/71/565598071.db2.gz DURRYFSUBLHOLT-KRWDZBQOSA-N 1 2 392.297 3.011 10 0 GGAELO CC(C)(C)n1cc(C[NH+]2CCN(Cc3ccc(Br)o3)CC2)cn1 ZINC000191339621 565598072 /nfs/dbraw/zinc/59/80/72/565598072.db2.gz VTQCCGRSCZYJMN-UHFFFAOYSA-N 1 2 381.318 3.311 10 0 GGAELO Clc1ccc(Cc2nc(C[N@@H+]3CC[C@@H](N4CCOCC4)C3)cs2)cc1 ZINC000173905933 565598435 /nfs/dbraw/zinc/59/84/35/565598435.db2.gz SUXFVTTTYYJNOB-GOSISDBHSA-N 1 2 377.941 3.294 10 0 GGAELO Clc1ccc(Cc2nc(C[N@H+]3CC[C@@H](N4CCOCC4)C3)cs2)cc1 ZINC000173905933 565598439 /nfs/dbraw/zinc/59/84/39/565598439.db2.gz SUXFVTTTYYJNOB-GOSISDBHSA-N 1 2 377.941 3.294 10 0 GGAELO Clc1ccc(Cc2nc(CN3CC[C@@H]([NH+]4CCOCC4)C3)cs2)cc1 ZINC000173905933 565598444 /nfs/dbraw/zinc/59/84/44/565598444.db2.gz SUXFVTTTYYJNOB-GOSISDBHSA-N 1 2 377.941 3.294 10 0 GGAELO Clc1ccc(Cc2nc(C[N@@H+]3CC[C@H](N4CCOCC4)C3)cs2)cc1 ZINC000173905919 565598627 /nfs/dbraw/zinc/59/86/27/565598627.db2.gz SUXFVTTTYYJNOB-SFHVURJKSA-N 1 2 377.941 3.294 10 0 GGAELO Clc1ccc(Cc2nc(C[N@H+]3CC[C@H](N4CCOCC4)C3)cs2)cc1 ZINC000173905919 565598629 /nfs/dbraw/zinc/59/86/29/565598629.db2.gz SUXFVTTTYYJNOB-SFHVURJKSA-N 1 2 377.941 3.294 10 0 GGAELO Clc1ccc(Cc2nc(CN3CC[C@H]([NH+]4CCOCC4)C3)cs2)cc1 ZINC000173905919 565598631 /nfs/dbraw/zinc/59/86/31/565598631.db2.gz SUXFVTTTYYJNOB-SFHVURJKSA-N 1 2 377.941 3.294 10 0 GGAELO Cc1cc(S(=O)(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c(C)cc1Br ZINC000408252528 565600831 /nfs/dbraw/zinc/60/08/31/565600831.db2.gz SATSKUHHNVBWDE-UHFFFAOYSA-N 1 2 398.326 3.357 10 0 GGAELO Cc1c(Br)cccc1S(=O)(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000408270449 565601488 /nfs/dbraw/zinc/60/14/88/565601488.db2.gz IFKPLBKUTGIYDO-SWLSCSKDSA-N 1 2 398.326 3.226 10 0 GGAELO C[C@H]1C[N@H+](Cc2cc(Br)c(Cl)s2)C[C@@H]1N1CCOCC1 ZINC000191433303 565604160 /nfs/dbraw/zinc/60/41/60/565604160.db2.gz VOLDOZBAVNBIRL-GWCFXTLKSA-N 1 2 379.751 3.317 10 0 GGAELO C[C@H]1C[N@@H+](Cc2cc(Br)c(Cl)s2)C[C@@H]1N1CCOCC1 ZINC000191433303 565604165 /nfs/dbraw/zinc/60/41/65/565604165.db2.gz VOLDOZBAVNBIRL-GWCFXTLKSA-N 1 2 379.751 3.317 10 0 GGAELO C[C@H]1CN(Cc2cc(Br)c(Cl)s2)C[C@@H]1[NH+]1CCOCC1 ZINC000191433303 565604168 /nfs/dbraw/zinc/60/41/68/565604168.db2.gz VOLDOZBAVNBIRL-GWCFXTLKSA-N 1 2 379.751 3.317 10 0 GGAELO C[C@@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000408347785 565605028 /nfs/dbraw/zinc/60/50/28/565605028.db2.gz BIBQXWBYUWKWHF-SCLBCKFNSA-N 1 2 397.313 3.046 10 0 GGAELO C[C@@H](C(=O)Nc1cccc(Br)c1)[N@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000408347785 565605033 /nfs/dbraw/zinc/60/50/33/565605033.db2.gz BIBQXWBYUWKWHF-SCLBCKFNSA-N 1 2 397.313 3.046 10 0 GGAELO C[C@@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000408347786 565605091 /nfs/dbraw/zinc/60/50/91/565605091.db2.gz BIBQXWBYUWKWHF-UGSOOPFHSA-N 1 2 397.313 3.046 10 0 GGAELO C[C@@H](C(=O)Nc1cccc(Br)c1)[N@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000408347786 565605095 /nfs/dbraw/zinc/60/50/95/565605095.db2.gz BIBQXWBYUWKWHF-UGSOOPFHSA-N 1 2 397.313 3.046 10 0 GGAELO C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000408350074 565605201 /nfs/dbraw/zinc/60/52/01/565605201.db2.gz XFAFRHMJFCRHIJ-UGSOOPFHSA-N 1 2 397.313 3.046 10 0 GGAELO C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000408350074 565605207 /nfs/dbraw/zinc/60/52/07/565605207.db2.gz XFAFRHMJFCRHIJ-UGSOOPFHSA-N 1 2 397.313 3.046 10 0 GGAELO COc1cc(C[NH2+][C@@H](C)c2nnc3n2CCCCC3)cc(Br)c1O ZINC000324446409 565617503 /nfs/dbraw/zinc/61/75/03/565617503.db2.gz GBEVTEMYJBCHLB-NSHDSACASA-N 1 2 395.301 3.332 10 0 GGAELO CO[C@@H]1CC[C@H](NC(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000191624863 565618198 /nfs/dbraw/zinc/61/81/98/565618198.db2.gz BCSGNBDCDMONNP-GVDBMIGSSA-N 1 2 381.314 3.270 10 0 GGAELO C[C@@H]([NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1)c1nc(C(F)(F)F)cs1 ZINC000279544752 565618611 /nfs/dbraw/zinc/61/86/11/565618611.db2.gz QLPPWSLCOFSVQN-DTWKUNHWSA-N 1 2 379.429 3.221 10 0 GGAELO CCc1ccc(C[NH+]2CCN(C(=O)NCc3ncc(CC)s3)CC2)s1 ZINC000174170691 565619474 /nfs/dbraw/zinc/61/94/74/565619474.db2.gz YVIROULPFUJTDT-UHFFFAOYSA-N 1 2 378.567 3.357 10 0 GGAELO COc1cccc(F)c1[C@@H](C)[NH2+][C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000174221099 565621604 /nfs/dbraw/zinc/62/16/04/565621604.db2.gz ZRNXGAXPTGZSMZ-QLJPJBMISA-N 1 2 381.245 3.474 10 0 GGAELO CS(=O)(=O)Cc1nc(CSCc2[nH+]ccn2Cc2ccccc2)cs1 ZINC000174252848 565625197 /nfs/dbraw/zinc/62/51/97/565625197.db2.gz VVSMJIJWTZEDNF-UHFFFAOYSA-N 1 2 393.559 3.366 10 0 GGAELO CC(C)Cc1ncc(C[NH2+][C@@H](C(N)=O)c2cccc(Br)c2)s1 ZINC000279673087 565625826 /nfs/dbraw/zinc/62/58/26/565625826.db2.gz NPAJFBJSAJEVIQ-OAHLLOKOSA-N 1 2 382.327 3.420 10 0 GGAELO O=C(Nc1cccc(Cl)c1Br)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000191730372 565626811 /nfs/dbraw/zinc/62/68/11/565626811.db2.gz XNAZFPQEMIYGSU-LLVKDONJSA-N 1 2 388.693 3.041 10 0 GGAELO C[C@@H]([NH2+][C@H](C)c1nnc2n1CCCC2)C(=O)Nc1cccc(Br)c1 ZINC000174296681 565628618 /nfs/dbraw/zinc/62/86/18/565628618.db2.gz UMIFCTLTQAKANQ-VXGBXAGGSA-N 1 2 392.301 3.055 10 0 GGAELO C[C@@H]([NH2+][C@@H](C)c1nnc2n1CCCC2)C(=O)Nc1cccc(Br)c1 ZINC000174296666 565628713 /nfs/dbraw/zinc/62/87/13/565628713.db2.gz UMIFCTLTQAKANQ-NWDGAFQWSA-N 1 2 392.301 3.055 10 0 GGAELO O=C1[C@@H]([NH2+]Cc2cc(O)ccc2Br)CCN1Cc1ccc(F)cc1 ZINC000191766707 565629911 /nfs/dbraw/zinc/62/99/11/565629911.db2.gz QZEQPTZEELNADO-KRWDZBQOSA-N 1 2 393.256 3.185 10 0 GGAELO CCc1ccc(C[NH+]2CCN(C(=O)Nc3nc(COC)cs3)CC2)s1 ZINC000174405324 565633967 /nfs/dbraw/zinc/63/39/67/565633967.db2.gz IXERGXRACPNPQD-UHFFFAOYSA-N 1 2 380.539 3.263 10 0 GGAELO O=S(=O)(NC[C@H]1CCn2cc[nH+]c2C1)c1ccc(C(F)(F)F)cc1Cl ZINC000328634596 565635891 /nfs/dbraw/zinc/63/58/91/565635891.db2.gz UGADSYONPAVQEX-JTQLQIEISA-N 1 2 393.818 3.096 10 0 GGAELO Cc1cc(S(=O)(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)sc1Cl ZINC000191895442 565640493 /nfs/dbraw/zinc/64/04/93/565640493.db2.gz WHFABNTXWRSXJC-UHFFFAOYSA-N 1 2 381.910 3.433 10 0 GGAELO Fc1cccc(Br)c1C[NH2+]Cc1cccc(N2CCOCC2)n1 ZINC000280048906 565649144 /nfs/dbraw/zinc/64/91/44/565649144.db2.gz XKJJUWAZOALEKB-UHFFFAOYSA-N 1 2 380.261 3.110 10 0 GGAELO Cc1csc(C(=O)NCc2cccnc2-n2cc[nH+]c2)c1Br ZINC000192039751 565651999 /nfs/dbraw/zinc/65/19/99/565651999.db2.gz DSOAINUTRLUKSS-UHFFFAOYSA-N 1 2 377.267 3.330 10 0 GGAELO Ic1ccccc1OC1CC[NH+](Cc2ncccn2)CC1 ZINC000192060818 565654325 /nfs/dbraw/zinc/65/43/25/565654325.db2.gz SJXAEICUMYKPET-UHFFFAOYSA-N 1 2 395.244 3.125 10 0 GGAELO O=C(Cc1c(F)ccc(Br)c1F)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000410092570 565662898 /nfs/dbraw/zinc/66/28/98/565662898.db2.gz ANCWZLHRXGYOTQ-NSHDSACASA-N 1 2 396.235 3.060 10 0 GGAELO O=C(Cc1c(F)ccc(Br)c1F)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000410092568 565663070 /nfs/dbraw/zinc/66/30/70/565663070.db2.gz ANCWZLHRXGYOTQ-LLVKDONJSA-N 1 2 396.235 3.060 10 0 GGAELO COc1cc(I)c(Cl)cc1C[NH2+]Cc1cocn1 ZINC000280326273 565665624 /nfs/dbraw/zinc/66/56/24/565665624.db2.gz PXNBQAOMWRJVPV-UHFFFAOYSA-N 1 2 378.597 3.231 10 0 GGAELO CCSCC[C@@H](C)NC(=O)N(C)C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000174963776 565670278 /nfs/dbraw/zinc/67/02/78/565670278.db2.gz JNJBBGVBVCJAEQ-HZPDHXFCSA-N 1 2 385.599 3.295 10 0 GGAELO COc1cc(NC(=O)NCc2ccc[nH+]c2N(C)C)ccc1Br ZINC000175017485 565673599 /nfs/dbraw/zinc/67/35/99/565673599.db2.gz BLDCMKFQXUNRIJ-UHFFFAOYSA-N 1 2 379.258 3.240 10 0 GGAELO C[C@@H](O)CNc1[nH+]c2ccccc2n1Cc1c(F)ccc(Br)c1F ZINC000410296549 565675826 /nfs/dbraw/zinc/67/58/26/565675826.db2.gz MJHSVMKAOPLXGO-SNVBAGLBSA-N 1 2 396.235 3.340 10 0 GGAELO CSCC[C@H](C)N(C)C(=O)NC[C@@H](c1cccs1)[N@@H+]1CCO[C@@H](C)C1 ZINC000175055535 565675984 /nfs/dbraw/zinc/67/59/84/565675984.db2.gz DLQYUTYILIBHEG-JYJNAYRXSA-N 1 2 385.599 3.293 10 0 GGAELO CSCC[C@H](C)N(C)C(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@@H](C)C1 ZINC000175055535 565675986 /nfs/dbraw/zinc/67/59/86/565675986.db2.gz DLQYUTYILIBHEG-JYJNAYRXSA-N 1 2 385.599 3.293 10 0 GGAELO CCCN(CC(F)F)C(=O)NC[C@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1 ZINC000175044491 565676126 /nfs/dbraw/zinc/67/61/26/565676126.db2.gz SAVDZLBMZVXLSN-ZIAGYGMSSA-N 1 2 375.485 3.197 10 0 GGAELO CCCN(CC(F)F)C(=O)NC[C@H](c1cccs1)[N@H+]1CCO[C@H](C)C1 ZINC000175044491 565676131 /nfs/dbraw/zinc/67/61/31/565676131.db2.gz SAVDZLBMZVXLSN-ZIAGYGMSSA-N 1 2 375.485 3.197 10 0 GGAELO CCCN(CC(F)F)C(=O)NC[C@@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1 ZINC000175044472 565676475 /nfs/dbraw/zinc/67/64/75/565676475.db2.gz SAVDZLBMZVXLSN-KGLIPLIRSA-N 1 2 375.485 3.197 10 0 GGAELO CCCN(CC(F)F)C(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@H](C)C1 ZINC000175044472 565676478 /nfs/dbraw/zinc/67/64/78/565676478.db2.gz SAVDZLBMZVXLSN-KGLIPLIRSA-N 1 2 375.485 3.197 10 0 GGAELO Nc1c(Cl)cc(NC(=O)NCc2cccnc2-n2cc[nH+]c2)cc1Cl ZINC000192300586 565678869 /nfs/dbraw/zinc/67/88/69/565678869.db2.gz JPGFLTFMZNFWJD-UHFFFAOYSA-N 1 2 377.235 3.478 10 0 GGAELO O=C(NCc1ccnc(-n2cc[nH+]c2)c1)c1cc(Br)c(F)cc1F ZINC000192304450 565678923 /nfs/dbraw/zinc/67/89/23/565678923.db2.gz LUPQCISATFIWDZ-UHFFFAOYSA-N 1 2 393.191 3.238 10 0 GGAELO C[C@H](Cc1ccc(Br)cc1)NC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000280655286 565687414 /nfs/dbraw/zinc/68/74/14/565687414.db2.gz ADOUVENEVTYJOS-GFCCVEGCSA-N 1 2 389.284 3.473 10 0 GGAELO Cc1cc(NC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)cc(C)c1Br ZINC000192420387 565687730 /nfs/dbraw/zinc/68/77/30/565687730.db2.gz GVHGCNIRROVIQE-OAHLLOKOSA-N 1 2 382.302 3.004 10 0 GGAELO C[C@@H]1C[N@@H+]([C@@H](CNC(=O)N2CCS[C@H](C)CC2)c2cccs2)CCO1 ZINC000192429164 565690786 /nfs/dbraw/zinc/69/07/86/565690786.db2.gz DYEPZLQABPZWIS-OAGGEKHMSA-N 1 2 383.583 3.047 10 0 GGAELO C[C@@H]1C[N@H+]([C@@H](CNC(=O)N2CCS[C@H](C)CC2)c2cccs2)CCO1 ZINC000192429164 565690790 /nfs/dbraw/zinc/69/07/90/565690790.db2.gz DYEPZLQABPZWIS-OAGGEKHMSA-N 1 2 383.583 3.047 10 0 GGAELO C[C@@H]1C[N@@H+]([C@H](CNC(=O)N2CCS[C@H](C)CC2)c2cccs2)CCO1 ZINC000192429167 565690894 /nfs/dbraw/zinc/69/08/94/565690894.db2.gz DYEPZLQABPZWIS-BZUAXINKSA-N 1 2 383.583 3.047 10 0 GGAELO C[C@@H]1C[N@H+]([C@H](CNC(=O)N2CCS[C@H](C)CC2)c2cccs2)CCO1 ZINC000192429167 565690896 /nfs/dbraw/zinc/69/08/96/565690896.db2.gz DYEPZLQABPZWIS-BZUAXINKSA-N 1 2 383.583 3.047 10 0 GGAELO Cc1cc(NCCNC(=O)Nc2cncc(Br)c2)nc(C(C)C)[nH+]1 ZINC000626460466 565693958 /nfs/dbraw/zinc/69/39/58/565693958.db2.gz KXZUVLIHWNPXST-UHFFFAOYSA-N 1 2 393.289 3.300 10 0 GGAELO CN(C[C@@H](c1cccs1)[NH+]1CCOCC1)C(=O)Nc1ccc(Cl)nc1 ZINC000175357032 565695069 /nfs/dbraw/zinc/69/50/69/565695069.db2.gz QEWIORZMMCDWLB-AWEZNQCLSA-N 1 2 380.901 3.334 10 0 GGAELO CCc1csc([C@@H]2CCC[N@H+](CCS(=O)(=O)c3ccc(F)cc3)C2)n1 ZINC000192562598 565698992 /nfs/dbraw/zinc/69/89/92/565698992.db2.gz DOKBSIMCEPHUPC-CQSZACIVSA-N 1 2 382.526 3.498 10 0 GGAELO CCc1csc([C@@H]2CCC[N@@H+](CCS(=O)(=O)c3ccc(F)cc3)C2)n1 ZINC000192562598 565698998 /nfs/dbraw/zinc/69/89/98/565698998.db2.gz DOKBSIMCEPHUPC-CQSZACIVSA-N 1 2 382.526 3.498 10 0 GGAELO CCc1csc([C@H]2CCC[N@H+](CCS(=O)(=O)c3ccc(F)cc3)C2)n1 ZINC000192562608 565699815 /nfs/dbraw/zinc/69/98/15/565699815.db2.gz DOKBSIMCEPHUPC-AWEZNQCLSA-N 1 2 382.526 3.498 10 0 GGAELO CCc1csc([C@H]2CCC[N@@H+](CCS(=O)(=O)c3ccc(F)cc3)C2)n1 ZINC000192562608 565699817 /nfs/dbraw/zinc/69/98/17/565699817.db2.gz DOKBSIMCEPHUPC-AWEZNQCLSA-N 1 2 382.526 3.498 10 0 GGAELO CCc1cnc(NC(=O)NC[C@@H](c2ccc(C)s2)[NH+]2CCOCC2)s1 ZINC000175438401 565700617 /nfs/dbraw/zinc/70/06/17/565700617.db2.gz LTHDEXSDRBCQEN-AWEZNQCLSA-N 1 2 380.539 3.270 10 0 GGAELO CCc1cnc(NC(=O)NC[C@H](c2ccc(C)s2)[NH+]2CCOCC2)s1 ZINC000175438421 565700866 /nfs/dbraw/zinc/70/08/66/565700866.db2.gz LTHDEXSDRBCQEN-CQSZACIVSA-N 1 2 380.539 3.270 10 0 GGAELO C[C@H]1COCC[C@H]1C(=O)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000192649038 565703876 /nfs/dbraw/zinc/70/38/76/565703876.db2.gz OOFYXQGNXPXIGC-GOEBONIOSA-N 1 2 385.335 3.353 10 0 GGAELO C[C@@H]1COCC[C@@H]1C(=O)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000192649002 565704271 /nfs/dbraw/zinc/70/42/71/565704271.db2.gz OOFYXQGNXPXIGC-ZBFHGGJFSA-N 1 2 385.335 3.353 10 0 GGAELO CO[C@H](C)c1nc(C)c(C(=O)NC[C@@H](C)[N@@H+]2CCc3sccc3C2)s1 ZINC000175528185 565705046 /nfs/dbraw/zinc/70/50/46/565705046.db2.gz CMNSWGPCKXNGNY-DGCLKSJQSA-N 1 2 379.551 3.397 10 0 GGAELO CO[C@H](C)c1nc(C)c(C(=O)NC[C@@H](C)[N@H+]2CCc3sccc3C2)s1 ZINC000175528185 565705050 /nfs/dbraw/zinc/70/50/50/565705050.db2.gz CMNSWGPCKXNGNY-DGCLKSJQSA-N 1 2 379.551 3.397 10 0 GGAELO Fc1cccc(Br)c1C[NH2+]Cc1cnc(N2CCOCC2)c(F)c1 ZINC000192733268 565707580 /nfs/dbraw/zinc/70/75/80/565707580.db2.gz PIMFZHGVGGTQFT-UHFFFAOYSA-N 1 2 398.251 3.249 10 0 GGAELO O=S(=O)(CC[N@@H+]1CCCC[C@H]1c1cn[nH]c1)c1cccc(Br)c1 ZINC000175673288 565714581 /nfs/dbraw/zinc/71/45/81/565714581.db2.gz ZWACJLZTZAXWDL-INIZCTEOSA-N 1 2 398.326 3.173 10 0 GGAELO O=S(=O)(CC[N@H+]1CCCC[C@H]1c1cn[nH]c1)c1cccc(Br)c1 ZINC000175673288 565714585 /nfs/dbraw/zinc/71/45/85/565714585.db2.gz ZWACJLZTZAXWDL-INIZCTEOSA-N 1 2 398.326 3.173 10 0 GGAELO COc1cc2c(cc1F)CC[C@H]2[NH2+][C@H](C(N)=O)c1cccc(Br)c1 ZINC000281158097 565715847 /nfs/dbraw/zinc/71/58/47/565715847.db2.gz BEUFQWIQFGDOOQ-WBVHZDCISA-N 1 2 393.256 3.400 10 0 GGAELO O=C(CCc1cccc(Br)c1)NCc1cccnc1-n1cc[nH+]c1 ZINC000192864372 565716224 /nfs/dbraw/zinc/71/62/24/565716224.db2.gz FYDFQPLBMQTBSL-UHFFFAOYSA-N 1 2 385.265 3.279 10 0 GGAELO Clc1ccc(O[C@@H]2CCC[N@H+](Cc3nnc4n3CCOC4)C2)cc1Cl ZINC000281229645 565719016 /nfs/dbraw/zinc/71/90/16/565719016.db2.gz HSQJDFKAQMRVOT-CYBMUJFWSA-N 1 2 383.279 3.159 10 0 GGAELO Clc1ccc(O[C@@H]2CCC[N@@H+](Cc3nnc4n3CCOC4)C2)cc1Cl ZINC000281229645 565719021 /nfs/dbraw/zinc/71/90/21/565719021.db2.gz HSQJDFKAQMRVOT-CYBMUJFWSA-N 1 2 383.279 3.159 10 0 GGAELO CC(C)n1cc(C[NH2+]Cc2nnc(-c3ccc(Br)cc3)[nH]2)cn1 ZINC000175717005 565719018 /nfs/dbraw/zinc/71/90/18/565719018.db2.gz XJDVHBLPHRXHBJ-UHFFFAOYSA-N 1 2 375.274 3.301 10 0 GGAELO Cc1ccc(NC(=O)C[N@@H+]2CC[C@H](C(C)(C)C)[C@H](O)C2)c(Br)c1 ZINC000330724291 565720319 /nfs/dbraw/zinc/72/03/19/565720319.db2.gz YYKPDTGRPXRRJZ-XJKSGUPXSA-N 1 2 383.330 3.425 10 0 GGAELO Cc1ccc(NC(=O)C[N@H+]2CC[C@H](C(C)(C)C)[C@H](O)C2)c(Br)c1 ZINC000330724291 565720323 /nfs/dbraw/zinc/72/03/23/565720323.db2.gz YYKPDTGRPXRRJZ-XJKSGUPXSA-N 1 2 383.330 3.425 10 0 GGAELO COc1cccc(C[NH+]2CCN(c3ccc(Br)cn3)CC2)c1F ZINC000192940155 565720738 /nfs/dbraw/zinc/72/07/38/565720738.db2.gz QNXRRETVXSOOBT-UHFFFAOYSA-N 1 2 380.261 3.314 10 0 GGAELO CCOC(=O)[C@H](NCc1[nH+]ccn1CC(F)(F)F)c1ccc(Cl)cc1 ZINC000192946568 565721122 /nfs/dbraw/zinc/72/11/22/565721122.db2.gz UEZJIXMNOJZVGC-CQSZACIVSA-N 1 2 375.778 3.493 10 0 GGAELO O=C(NCCCc1ccc(Cl)cc1Cl)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000175783957 565724233 /nfs/dbraw/zinc/72/42/33/565724233.db2.gz YDLHPRCQSOLMNF-MRXNPFEDSA-N 1 2 386.323 3.042 10 0 GGAELO CN(C)c1[nH+]cccc1N(C)S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000175870654 565730054 /nfs/dbraw/zinc/73/00/54/565730054.db2.gz PYEWMILVNHGJTK-UHFFFAOYSA-N 1 2 377.363 3.131 10 0 GGAELO CCS[C@H]1CCC[C@@H](NC(=O)N2CC[NH+](Cc3cnc(C)s3)CC2)C1 ZINC000175878708 565730951 /nfs/dbraw/zinc/73/09/51/565730951.db2.gz VTALXTNTOUOWNF-CVEARBPZSA-N 1 2 382.599 3.343 10 0 GGAELO CN(C[C@@H](c1cccs1)[NH+]1CCOCC1)C(=O)Nc1ccc(Cl)cn1 ZINC000175888528 565732310 /nfs/dbraw/zinc/73/23/10/565732310.db2.gz JAQHCPCGAJOCAO-AWEZNQCLSA-N 1 2 380.901 3.334 10 0 GGAELO CCOC(=O)c1ccc(C[NH2+][C@@H](CCO)c2ccccc2Br)nc1 ZINC000411501844 565732862 /nfs/dbraw/zinc/73/28/62/565732862.db2.gz BANVMQMLCWSSKW-KRWDZBQOSA-N 1 2 393.281 3.234 10 0 GGAELO C[C@@H](c1ccccc1Br)[N@@H+]1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000411687889 565745804 /nfs/dbraw/zinc/74/58/04/565745804.db2.gz BBJUVVQBARPEHV-ZDUSSCGKSA-N 1 2 387.343 3.010 10 0 GGAELO C[C@@H](c1ccccc1Br)[N@H+]1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000411687889 565745809 /nfs/dbraw/zinc/74/58/09/565745809.db2.gz BBJUVVQBARPEHV-ZDUSSCGKSA-N 1 2 387.343 3.010 10 0 GGAELO C[C@@H](c1cccc(Br)c1)[N@@H+]1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000411702615 565746597 /nfs/dbraw/zinc/74/65/97/565746597.db2.gz ZLQNEJCXDMMXLP-ZDUSSCGKSA-N 1 2 387.343 3.010 10 0 GGAELO C[C@@H](c1cccc(Br)c1)[N@H+]1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000411702615 565746601 /nfs/dbraw/zinc/74/66/01/565746601.db2.gz ZLQNEJCXDMMXLP-ZDUSSCGKSA-N 1 2 387.343 3.010 10 0 GGAELO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N1CCC=C(Br)C1 ZINC000281785525 565748240 /nfs/dbraw/zinc/74/82/40/565748240.db2.gz JLKYRVNBENGQBZ-UHFFFAOYSA-N 1 2 379.302 3.266 10 0 GGAELO O=C(CCc1c[nH+]c[nH]1)N1CCC[C@@H]1c1ccc(I)cc1 ZINC000193395590 565749331 /nfs/dbraw/zinc/74/93/31/565749331.db2.gz WWXFNTBSQBIRQX-OAHLLOKOSA-N 1 2 395.244 3.311 10 0 GGAELO O=C(CCc1c[nH]c[nH+]1)N1CCC[C@@H]1c1ccc(I)cc1 ZINC000193395590 565749335 /nfs/dbraw/zinc/74/93/35/565749335.db2.gz WWXFNTBSQBIRQX-OAHLLOKOSA-N 1 2 395.244 3.311 10 0 GGAELO Cc1nc([C@](C)([NH2+]CCC(=O)Nc2ccc(Br)cc2)C2CC2)no1 ZINC000411780122 565751891 /nfs/dbraw/zinc/75/18/91/565751891.db2.gz HWFZUDVQLLLHQF-QGZVFWFLSA-N 1 2 393.285 3.384 10 0 GGAELO Cn1cc(Br)cc1C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281875157 565752259 /nfs/dbraw/zinc/75/22/59/565752259.db2.gz CUDYHWYDZUKNOD-CYBMUJFWSA-N 1 2 391.313 3.340 10 0 GGAELO O=C([C@H]1CCCn2cc[nH+]c21)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000176164905 565754493 /nfs/dbraw/zinc/75/44/93/565754493.db2.gz RENRKCVGYBRXIG-HOTGVXAUSA-N 1 2 390.281 3.123 10 0 GGAELO Cc1nc([C@@](C)([NH2+]CCC(=O)Nc2ccccc2Br)C2CC2)no1 ZINC000411810332 565756228 /nfs/dbraw/zinc/75/62/28/565756228.db2.gz ZZFAQYFFEMUQBU-KRWDZBQOSA-N 1 2 393.285 3.384 10 0 GGAELO C[C@@H](NC(=O)C[N@@H+]1CCO[C@H](C2CCC2)C1)c1ccc(Br)cc1 ZINC000411862360 565758348 /nfs/dbraw/zinc/75/83/48/565758348.db2.gz OZTDRGLBDAHBOJ-DYVFJYSZSA-N 1 2 381.314 3.127 10 0 GGAELO C[C@@H](NC(=O)C[N@H+]1CCO[C@H](C2CCC2)C1)c1ccc(Br)cc1 ZINC000411862360 565758356 /nfs/dbraw/zinc/75/83/56/565758356.db2.gz OZTDRGLBDAHBOJ-DYVFJYSZSA-N 1 2 381.314 3.127 10 0 GGAELO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cc(Cl)cc(Br)c1O ZINC000176316534 565764569 /nfs/dbraw/zinc/76/45/69/565764569.db2.gz SGXSWJWYYZDPME-LLVKDONJSA-N 1 2 375.694 3.364 10 0 GGAELO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1cc(Cl)cc(Br)c1O ZINC000176316534 565764574 /nfs/dbraw/zinc/76/45/74/565764574.db2.gz SGXSWJWYYZDPME-LLVKDONJSA-N 1 2 375.694 3.364 10 0 GGAELO COc1ccnc(C[NH2+][C@@H]2CCOc3c(Br)cccc32)c1OC ZINC000282126237 565766389 /nfs/dbraw/zinc/76/63/89/565766389.db2.gz RBEUYRKODUVXFB-CYBMUJFWSA-N 1 2 379.254 3.475 10 0 GGAELO COC(=O)[C@H]1CSCC[N@@H+]([C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000412078114 565769612 /nfs/dbraw/zinc/76/96/12/565769612.db2.gz OICSCMXJCGKVAI-GHMZBOCLSA-N 1 2 391.320 3.158 10 0 GGAELO COC(=O)[C@H]1CSCC[N@H+]([C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000412078114 565769620 /nfs/dbraw/zinc/76/96/20/565769620.db2.gz OICSCMXJCGKVAI-GHMZBOCLSA-N 1 2 391.320 3.158 10 0 GGAELO COC(=O)[C@@H]1CSCC[N@@H+]([C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000412078115 565769868 /nfs/dbraw/zinc/76/98/68/565769868.db2.gz OICSCMXJCGKVAI-MNOVXSKESA-N 1 2 391.320 3.158 10 0 GGAELO COC(=O)[C@@H]1CSCC[N@H+]([C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000412078115 565769869 /nfs/dbraw/zinc/76/98/69/565769869.db2.gz OICSCMXJCGKVAI-MNOVXSKESA-N 1 2 391.320 3.158 10 0 GGAELO CC(C)[N@@H+](Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1)C[C@H]1CCC(=O)N1 ZINC000412084000 565769894 /nfs/dbraw/zinc/76/98/94/565769894.db2.gz QABPNTCSCXCGIU-GFCCVEGCSA-N 1 2 382.295 3.063 10 0 GGAELO CC(C)[N@H+](Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1)C[C@H]1CCC(=O)N1 ZINC000412084000 565769895 /nfs/dbraw/zinc/76/98/95/565769895.db2.gz QABPNTCSCXCGIU-GFCCVEGCSA-N 1 2 382.295 3.063 10 0 GGAELO COC(=O)[C@@H]1CSCC[N@@H+]([C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000412080168 565769900 /nfs/dbraw/zinc/76/99/00/565769900.db2.gz PMJPVZSBBKQISI-MNOVXSKESA-N 1 2 391.320 3.158 10 0 GGAELO COC(=O)[C@@H]1CSCC[N@H+]([C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000412080168 565769901 /nfs/dbraw/zinc/76/99/01/565769901.db2.gz PMJPVZSBBKQISI-MNOVXSKESA-N 1 2 391.320 3.158 10 0 GGAELO Cn1c[nH+]cc1CCC(=O)NCc1ccc(Br)cc1C(F)(F)F ZINC000193717298 565771569 /nfs/dbraw/zinc/77/15/69/565771569.db2.gz LGVKXYYRJBGRHC-UHFFFAOYSA-N 1 2 390.203 3.450 10 0 GGAELO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)[N@@H+]2Cc2sc(C)nc2C(F)(F)F)O1 ZINC000282334722 565774232 /nfs/dbraw/zinc/77/42/32/565774232.db2.gz BFWYJNCEIYPQBX-YJQGPUDQSA-N 1 2 378.416 3.154 10 0 GGAELO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)[N@H+]2Cc2sc(C)nc2C(F)(F)F)O1 ZINC000282334722 565774237 /nfs/dbraw/zinc/77/42/37/565774237.db2.gz BFWYJNCEIYPQBX-YJQGPUDQSA-N 1 2 378.416 3.154 10 0 GGAELO Cn1cc2c(n1)CCC[C@@H]2[NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000282324316 565774260 /nfs/dbraw/zinc/77/42/60/565774260.db2.gz AKCXNSNSWDYANI-INIZCTEOSA-N 1 2 377.279 3.475 10 0 GGAELO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)[N@@H+]2Cc2sc(C)nc2C(F)(F)F)O1 ZINC000282334715 565774520 /nfs/dbraw/zinc/77/45/20/565774520.db2.gz BFWYJNCEIYPQBX-GMNPVEAJSA-N 1 2 378.416 3.154 10 0 GGAELO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)[N@H+]2Cc2sc(C)nc2C(F)(F)F)O1 ZINC000282334715 565774527 /nfs/dbraw/zinc/77/45/27/565774527.db2.gz BFWYJNCEIYPQBX-GMNPVEAJSA-N 1 2 378.416 3.154 10 0 GGAELO CN(C[C@H](c1cccs1)[NH+]1CCOCC1)C(=O)Cc1ccc(Cl)cc1 ZINC000176532397 565781227 /nfs/dbraw/zinc/78/12/27/565781227.db2.gz WCDGXCCJUNKRRF-QGZVFWFLSA-N 1 2 378.925 3.476 10 0 GGAELO O=C(C[S@](=O)Cc1cn2cc(Cl)ccc2[nH+]1)Nc1cc(F)cc(F)c1 ZINC000176528048 565781351 /nfs/dbraw/zinc/78/13/51/565781351.db2.gz FBFQSVLVEPTBRP-RUZDIDTESA-N 1 2 383.807 3.153 10 0 GGAELO O=C(c1ncccc1Br)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282495574 565782205 /nfs/dbraw/zinc/78/22/05/565782205.db2.gz YPVXWVCGJFCRJG-CYBMUJFWSA-N 1 2 389.297 3.397 10 0 GGAELO Cc1ccc([C@H](CNC(=O)Cc2sc(=S)[nH]c2C)[NH+]2CCOCC2)s1 ZINC000176547954 565783478 /nfs/dbraw/zinc/78/34/78/565783478.db2.gz HWJKDAJUIUKPHC-ZDUSSCGKSA-N 1 2 397.591 3.216 10 0 GGAELO C[C@H]1CCN(C(=O)C2(c3cncc(Br)c3)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000282552887 565785046 /nfs/dbraw/zinc/78/50/46/565785046.db2.gz ASJHMUFJZOEMAP-BBRMVZONSA-N 1 2 389.297 3.182 10 0 GGAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)[C@H](C)c2ccc(Cl)s2)CC1 ZINC000176583993 565786476 /nfs/dbraw/zinc/78/64/76/565786476.db2.gz ULTQNHYRRLSENT-GFCCVEGCSA-N 1 2 380.945 3.200 10 0 GGAELO CSc1cc(C(=O)NC[C@@H](c2cccs2)[N@@H+]2CCO[C@@H](C)C2)ccn1 ZINC000176586948 565787679 /nfs/dbraw/zinc/78/76/79/565787679.db2.gz OTAYTFPRORVRDL-ZFWWWQNUSA-N 1 2 377.535 3.057 10 0 GGAELO CSc1cc(C(=O)NC[C@@H](c2cccs2)[N@H+]2CCO[C@@H](C)C2)ccn1 ZINC000176586948 565787685 /nfs/dbraw/zinc/78/76/85/565787685.db2.gz OTAYTFPRORVRDL-ZFWWWQNUSA-N 1 2 377.535 3.057 10 0 GGAELO CSc1cc(C(=O)NC[C@@H](c2cccs2)[N@@H+]2CCO[C@H](C)C2)ccn1 ZINC000176586927 565787763 /nfs/dbraw/zinc/78/77/63/565787763.db2.gz OTAYTFPRORVRDL-HIFRSBDPSA-N 1 2 377.535 3.057 10 0 GGAELO CSc1cc(C(=O)NC[C@@H](c2cccs2)[N@H+]2CCO[C@H](C)C2)ccn1 ZINC000176586927 565787766 /nfs/dbraw/zinc/78/77/66/565787766.db2.gz OTAYTFPRORVRDL-HIFRSBDPSA-N 1 2 377.535 3.057 10 0 GGAELO C[C@@H]1C[N@@H+]([C@@H](CNC(=O)c2cc(Br)c[nH]2)c2cccs2)CCO1 ZINC000176600790 565788779 /nfs/dbraw/zinc/78/87/79/565788779.db2.gz ZUDHVCTYDQPZRU-RISCZKNCSA-N 1 2 398.326 3.031 10 0 GGAELO C[C@@H]1C[N@H+]([C@@H](CNC(=O)c2cc(Br)c[nH]2)c2cccs2)CCO1 ZINC000176600790 565788783 /nfs/dbraw/zinc/78/87/83/565788783.db2.gz ZUDHVCTYDQPZRU-RISCZKNCSA-N 1 2 398.326 3.031 10 0 GGAELO CN(Cc1cnccn1)C(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000176623002 565789375 /nfs/dbraw/zinc/78/93/75/565789375.db2.gz WPFDGVKSFKKAPG-QGZVFWFLSA-N 1 2 389.297 3.035 10 0 GGAELO CN(Cc1cnccn1)C(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000176623021 565789708 /nfs/dbraw/zinc/78/97/08/565789708.db2.gz WPFDGVKSFKKAPG-KRWDZBQOSA-N 1 2 389.297 3.035 10 0 GGAELO Cc1[nH]c(=S)sc1CC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282894669 565801389 /nfs/dbraw/zinc/80/13/89/565801389.db2.gz WISNHORDPNGNQR-CYBMUJFWSA-N 1 2 376.551 3.222 10 0 GGAELO Cc1[nH]c(=S)sc1CC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282894680 565801748 /nfs/dbraw/zinc/80/17/48/565801748.db2.gz WISNHORDPNGNQR-ZDUSSCGKSA-N 1 2 376.551 3.222 10 0 GGAELO CC(C)Cn1cc[nH+]c1CNC(=O)NCc1ccc(F)cc1Br ZINC000176795022 565803997 /nfs/dbraw/zinc/80/39/97/565803997.db2.gz LBBPNGYHEKOUSO-UHFFFAOYSA-N 1 2 383.265 3.440 10 0 GGAELO Cn1cc[nH+]c1[C@H](NC(=O)N1CCC=C(Br)C1)c1ccccc1F ZINC000283055392 565807798 /nfs/dbraw/zinc/80/77/98/565807798.db2.gz RMSBDVJDARXVQU-OAHLLOKOSA-N 1 2 393.260 3.343 10 0 GGAELO C[N@@H+]1CC[C@H](NC(=O)NCCCOC(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000194339248 565809033 /nfs/dbraw/zinc/80/90/33/565809033.db2.gz NAXQXIILNSWJKV-KBPBESRZSA-N 1 2 379.810 3.153 10 0 GGAELO C[N@H+]1CC[C@H](NC(=O)NCCCOC(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000194339248 565809035 /nfs/dbraw/zinc/80/90/35/565809035.db2.gz NAXQXIILNSWJKV-KBPBESRZSA-N 1 2 379.810 3.153 10 0 GGAELO CSc1ccc(NC(=O)C(=O)NCc2[nH+]ccn2CC(C)C)cc1Cl ZINC000176862157 565809383 /nfs/dbraw/zinc/80/93/83/565809383.db2.gz ACWFGCBOLXRLQQ-UHFFFAOYSA-N 1 2 380.901 3.169 10 0 GGAELO 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O=C(NC1CC[NH+](Cc2cccc(Br)c2)CC1)C1CCC(=O)CC1 ZINC000414058206 565890933 /nfs/dbraw/zinc/89/09/33/565890933.db2.gz SZOMNQHFWVQVKK-UHFFFAOYSA-N 1 2 393.325 3.289 10 0 GGAELO Ic1cnc(CNc2ccc(N3CCCC3)[nH+]c2)s1 ZINC000285167425 565891287 /nfs/dbraw/zinc/89/12/87/565891287.db2.gz QAHPODNKBFRJIM-UHFFFAOYSA-N 1 2 386.262 3.355 10 0 GGAELO CN(C)c1cc(NC(=O)N2C[C@@]3(CCCO3)[C@H]2C2CC2)[nH+]cc1Br ZINC000333688188 565892823 /nfs/dbraw/zinc/89/28/23/565892823.db2.gz QBWQRXCXPOOJEV-WBVHZDCISA-N 1 2 395.301 3.085 10 0 GGAELO C[C@H](Cn1cc(Br)ccc1=O)Nc1ccc(N2CCCC2)[nH+]c1 ZINC000414089128 565893473 /nfs/dbraw/zinc/89/34/73/565893473.db2.gz AMYQQZLZOWBJMJ-CYBMUJFWSA-N 1 2 377.286 3.107 10 0 GGAELO Brc1ccc(C[N@@H+]2CCO[C@@]3(CCCOC3)C2)c2ncccc12 ZINC000285203074 565893790 /nfs/dbraw/zinc/89/37/90/565893790.db2.gz DCIJJCHVFLSDHR-SFHVURJKSA-N 1 2 377.282 3.379 10 0 GGAELO Brc1ccc(C[N@H+]2CCO[C@@]3(CCCOC3)C2)c2ncccc12 ZINC000285203074 565893796 /nfs/dbraw/zinc/89/37/96/565893796.db2.gz DCIJJCHVFLSDHR-SFHVURJKSA-N 1 2 377.282 3.379 10 0 GGAELO CN(C)c1cc(NC(=O)N2CCOC3(CCCC3)C2)[nH+]cc1Br ZINC000333733750 565894478 /nfs/dbraw/zinc/89/44/78/565894478.db2.gz WYEUQGGJYHKKCQ-UHFFFAOYSA-N 1 2 383.290 3.087 10 0 GGAELO COC(=O)c1cnc([C@H](C)[NH2+][C@H](CO)c2cccc(Br)c2)s1 ZINC000414096962 565894488 /nfs/dbraw/zinc/89/44/88/565894488.db2.gz RHONMDOYUFKNNR-JOYOIKCWSA-N 1 2 385.283 3.076 10 0 GGAELO COC(=O)c1cnc([C@@H](C)[NH2+][C@H](CO)c2cccc(Br)c2)s1 ZINC000414096960 565894756 /nfs/dbraw/zinc/89/47/56/565894756.db2.gz RHONMDOYUFKNNR-BXKDBHETSA-N 1 2 385.283 3.076 10 0 GGAELO C[C@@H](Cn1cc(Br)ccc1=O)Nc1ccc(N2CCCCC2)[nH+]c1 ZINC000414117089 565896983 /nfs/dbraw/zinc/89/69/83/565896983.db2.gz YNSNQSLZBCDWDC-AWEZNQCLSA-N 1 2 391.313 3.497 10 0 GGAELO O=C(Cc1cc(Br)ccc1F)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000178274981 565909499 /nfs/dbraw/zinc/90/94/99/565909499.db2.gz GSQIJLCKZJZROK-UHFFFAOYSA-N 1 2 389.228 3.028 10 0 GGAELO C[C@H](CC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C)c1ccc(Br)cc1 ZINC000285631618 565918151 /nfs/dbraw/zinc/91/81/51/565918151.db2.gz CWXGZKSDVYLBPI-RVKKMQEKSA-N 1 2 395.341 3.264 10 0 GGAELO C[C@@H](C(=O)Nc1ccccc1Br)[N@@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000178525860 565924901 /nfs/dbraw/zinc/92/49/01/565924901.db2.gz FRKHHQLXKQYNTP-STQMWFEESA-N 1 2 397.313 3.440 10 0 GGAELO C[C@@H](C(=O)Nc1ccccc1Br)[N@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000178525860 565924908 /nfs/dbraw/zinc/92/49/08/565924908.db2.gz FRKHHQLXKQYNTP-STQMWFEESA-N 1 2 397.313 3.440 10 0 GGAELO CC(C)Cn1cc[nH+]c1CN1C(=O)N[C@@H](c2ccc(Br)cc2)C1=O ZINC000349401666 565927222 /nfs/dbraw/zinc/92/72/22/565927222.db2.gz RIZSXBWVJGOXND-HNNXBMFYSA-N 1 2 391.269 3.095 10 0 GGAELO C[C@H](Cc1ccc(Br)cc1)NC(=O)N(C)CCCn1cc[nH+]c1 ZINC000178688717 565932701 /nfs/dbraw/zinc/93/27/01/565932701.db2.gz IBSWGYLVPIEDFT-CQSZACIVSA-N 1 2 379.302 3.308 10 0 GGAELO Cn1c[nH+]cc1Cc1noc(CCCC(=O)c2ccc(Br)cc2)n1 ZINC000350187928 565933200 /nfs/dbraw/zinc/93/32/00/565933200.db2.gz CFCXPAJSPCVJIF-UHFFFAOYSA-N 1 2 389.253 3.362 10 0 GGAELO C[C@H](CNS(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)Cn1cc[nH+]c1 ZINC000414460927 565938143 /nfs/dbraw/zinc/93/81/43/565938143.db2.gz RGHQSHHGXWBPNT-SNVBAGLBSA-N 1 2 381.807 3.170 10 0 GGAELO Cc1cnn(CC[NH2+]Cc2cc(Br)c(O)c(Br)c2)c1 ZINC000235947892 565938530 /nfs/dbraw/zinc/93/85/30/565938530.db2.gz ZZTJJJPPXBANHO-UHFFFAOYSA-N 1 2 389.091 3.212 10 0 GGAELO Oc1c(Br)cc(C[NH2+]C[C@@H]2CCC[C@H]2O)cc1Br ZINC000236541141 565938767 /nfs/dbraw/zinc/93/87/67/565938767.db2.gz ZNOHKDOTDWSBEJ-JOYOIKCWSA-N 1 2 379.092 3.168 10 0 GGAELO C[C@H](CNS(=O)(=O)c1cc(Cl)cc(C(F)(F)F)c1)Cn1cc[nH+]c1 ZINC000414475982 565940819 /nfs/dbraw/zinc/94/08/19/565940819.db2.gz YYKDMPKULWVJHQ-SNVBAGLBSA-N 1 2 381.807 3.170 10 0 GGAELO C[C@H](NC(=O)C[N@@H+]1CCC[C@H]1c1cc[nH]n1)c1ccc(Br)cc1 ZINC000286081049 565941062 /nfs/dbraw/zinc/94/10/62/565941062.db2.gz KCSXWNVYOUZMGO-LRDDRELGSA-N 1 2 377.286 3.187 10 0 GGAELO C[C@H](NC(=O)C[N@H+]1CCC[C@H]1c1cc[nH]n1)c1ccc(Br)cc1 ZINC000286081049 565941069 /nfs/dbraw/zinc/94/10/69/565941069.db2.gz KCSXWNVYOUZMGO-LRDDRELGSA-N 1 2 377.286 3.187 10 0 GGAELO COC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000178854677 565941055 /nfs/dbraw/zinc/94/10/55/565941055.db2.gz IYNIIIUMMIPNAJ-INIZCTEOSA-N 1 2 390.281 3.434 10 0 GGAELO COC(=O)[C@@H]1CCCC[N@H+]1Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000178854677 565941060 /nfs/dbraw/zinc/94/10/60/565941060.db2.gz IYNIIIUMMIPNAJ-INIZCTEOSA-N 1 2 390.281 3.434 10 0 GGAELO C[C@H](O)[C@@H]1C[N@H+](Cc2cnc(-c3ccc(Br)cc3)s2)CCO1 ZINC000414573226 565949281 /nfs/dbraw/zinc/94/92/81/565949281.db2.gz LWMSFKMUWXLDFP-NHYWBVRUSA-N 1 2 383.311 3.154 10 0 GGAELO C[C@H](O)[C@@H]1C[N@@H+](Cc2cnc(-c3ccc(Br)cc3)s2)CCO1 ZINC000414573226 565949286 /nfs/dbraw/zinc/94/92/86/565949286.db2.gz LWMSFKMUWXLDFP-NHYWBVRUSA-N 1 2 383.311 3.154 10 0 GGAELO Cc1nc(C(=O)N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)c(C)s1 ZINC000178968809 565950370 /nfs/dbraw/zinc/95/03/70/565950370.db2.gz KXQHZTFFYBHXFC-UHFFFAOYSA-N 1 2 379.913 3.250 10 0 GGAELO COC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2sc(C)nc2C(F)(F)F)C1 ZINC000286345728 565955111 /nfs/dbraw/zinc/95/51/11/565955111.db2.gz FJDVIXMKFYDULP-NSHDSACASA-N 1 2 376.322 3.398 10 0 GGAELO COC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2sc(C)nc2C(F)(F)F)C1 ZINC000286345728 565955113 /nfs/dbraw/zinc/95/51/13/565955113.db2.gz FJDVIXMKFYDULP-NSHDSACASA-N 1 2 376.322 3.398 10 0 GGAELO Cc1ccc(C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)c(Br)c1 ZINC000179069309 565956336 /nfs/dbraw/zinc/95/63/36/565956336.db2.gz KLUGUSCUSGZWBA-HNNXBMFYSA-N 1 2 381.314 3.084 10 0 GGAELO COc1cc(Br)ccc1C[N@@H+]1CCn2c(nnc2C(F)(F)F)C1 ZINC000360472499 565958968 /nfs/dbraw/zinc/95/89/68/565958968.db2.gz KPSXAKGBFUMIQU-UHFFFAOYSA-N 1 2 391.191 3.084 10 0 GGAELO COc1cc(Br)ccc1C[N@H+]1CCn2c(nnc2C(F)(F)F)C1 ZINC000360472499 565958972 /nfs/dbraw/zinc/95/89/72/565958972.db2.gz KPSXAKGBFUMIQU-UHFFFAOYSA-N 1 2 391.191 3.084 10 0 GGAELO C[C@H](Cc1ccc(Br)cc1)NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000360774819 565962152 /nfs/dbraw/zinc/96/21/52/565962152.db2.gz APGQQVPVRZBQOH-HIFRSBDPSA-N 1 2 391.313 3.313 10 0 GGAELO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)c2ccc(Br)c(O)c2)C1 ZINC000179228147 565966817 /nfs/dbraw/zinc/96/68/17/565966817.db2.gz DYGBNCUGUARPOW-CYBMUJFWSA-N 1 2 378.270 3.391 10 0 GGAELO C[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)N(C)C)c1ncc(Br)s1 ZINC000179228453 565967277 /nfs/dbraw/zinc/96/72/77/565967277.db2.gz YUZUWRYGNMVHKQ-YPMHNXCESA-N 1 2 382.327 3.256 10 0 GGAELO CCOC(=O)CN(Cc1[nH+]ccn1C)[C@H](C)c1cccc(Br)c1 ZINC000179310960 565971505 /nfs/dbraw/zinc/97/15/05/565971505.db2.gz GKAXTGIPGYZODY-CYBMUJFWSA-N 1 2 380.286 3.309 10 0 GGAELO CCc1[nH+]c2ccccc2n1CC(=O)Nc1c[nH]cc(Br)c1=O ZINC000179408330 565978845 /nfs/dbraw/zinc/97/88/45/565978845.db2.gz PVMLXDYMANCMQT-UHFFFAOYSA-N 1 2 375.226 3.101 10 0 GGAELO C[N@@H+]1CC[C@H](NC(=O)c2ccc([S@](C)=O)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000179421634 565979787 /nfs/dbraw/zinc/97/97/87/565979787.db2.gz YQHZNGWBSREUOZ-RPPIVITFSA-N 1 2 376.909 3.253 10 0 GGAELO C[N@H+]1CC[C@H](NC(=O)c2ccc([S@](C)=O)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000179421634 565979792 /nfs/dbraw/zinc/97/97/92/565979792.db2.gz YQHZNGWBSREUOZ-RPPIVITFSA-N 1 2 376.909 3.253 10 0 GGAELO CCCC(=O)N[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc(Br)cc2)C1 ZINC000245200928 565987710 /nfs/dbraw/zinc/98/77/10/565987710.db2.gz MTPWXJMESMXUIA-CZUORRHYSA-N 1 2 396.329 3.157 10 0 GGAELO CCCC(=O)N[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc(Br)cc2)C1 ZINC000245200928 565987714 /nfs/dbraw/zinc/98/77/14/565987714.db2.gz MTPWXJMESMXUIA-CZUORRHYSA-N 1 2 396.329 3.157 10 0 GGAELO CCc1nnc(CN2CC[NH+](CCc3ccc(Cl)c(Cl)c3)CC2)n1C ZINC000179552512 565989345 /nfs/dbraw/zinc/98/93/45/565989345.db2.gz OZFKJEISAOSLCC-UHFFFAOYSA-N 1 2 382.339 3.045 10 0 GGAELO CC[N@@H+]1CC[C@@H](NC(=O)COCC(F)(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245580805 565997096 /nfs/dbraw/zinc/99/70/96/565997096.db2.gz HAUNTFXTDGXLEI-UKRRQHHQSA-N 1 2 382.785 3.310 10 0 GGAELO CC[N@H+]1CC[C@@H](NC(=O)COCC(F)(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245580805 565997101 /nfs/dbraw/zinc/99/71/01/565997101.db2.gz HAUNTFXTDGXLEI-UKRRQHHQSA-N 1 2 382.785 3.310 10 0 GGAELO CC[C@H](CSC)N(C)C(=O)NC[C@H](c1ccc(C)s1)[NH+]1CCOCC1 ZINC000179703737 566001535 /nfs/dbraw/zinc/00/15/35/566001535.db2.gz PMHGFFAANOVPSS-HZPDHXFCSA-N 1 2 385.599 3.213 10 0 GGAELO O=C(NC[C@H]1CC[NH2+]CC1(F)F)N[C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000415511762 566002388 /nfs/dbraw/zinc/00/23/88/566002388.db2.gz ACDDYHBCCGSAPL-ZYHUDNBSSA-N 1 2 385.764 3.487 10 0 GGAELO Cn1cc(Br)cc1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000245713225 566002660 /nfs/dbraw/zinc/00/26/60/566002660.db2.gz UGMSBDJSIWJHON-ZBFHGGJFSA-N 1 2 398.251 3.241 10 0 GGAELO Cn1cc(Br)cc1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000245713225 566002663 /nfs/dbraw/zinc/00/26/63/566002663.db2.gz UGMSBDJSIWJHON-ZBFHGGJFSA-N 1 2 398.251 3.241 10 0 GGAELO C[N@@H+]1CC[C@H](NC(=O)c2ccc(Br)o2)[C@H]1c1ccc(F)c(F)c1 ZINC000245708278 566002725 /nfs/dbraw/zinc/00/27/25/566002725.db2.gz SFGMIECQAXQEQE-SWLSCSKDSA-N 1 2 385.208 3.496 10 0 GGAELO C[N@H+]1CC[C@H](NC(=O)c2ccc(Br)o2)[C@H]1c1ccc(F)c(F)c1 ZINC000245708278 566002731 /nfs/dbraw/zinc/00/27/31/566002731.db2.gz SFGMIECQAXQEQE-SWLSCSKDSA-N 1 2 385.208 3.496 10 0 GGAELO O=C(NCc1cccc(Br)c1)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000363376713 566002784 /nfs/dbraw/zinc/00/27/84/566002784.db2.gz POABKAPALTTWIX-UHFFFAOYSA-N 1 2 386.253 3.029 10 0 GGAELO C[N@@H+]1CC[C@@H](NC(=O)c2ccc(Br)o2)[C@H]1c1ccc(F)c(F)c1 ZINC000245708275 566003129 /nfs/dbraw/zinc/00/31/29/566003129.db2.gz SFGMIECQAXQEQE-IUODEOHRSA-N 1 2 385.208 3.496 10 0 GGAELO C[N@H+]1CC[C@@H](NC(=O)c2ccc(Br)o2)[C@H]1c1ccc(F)c(F)c1 ZINC000245708275 566003133 /nfs/dbraw/zinc/00/31/33/566003133.db2.gz SFGMIECQAXQEQE-IUODEOHRSA-N 1 2 385.208 3.496 10 0 GGAELO O=C(NCc1sccc1Br)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000363453718 566006407 /nfs/dbraw/zinc/00/64/07/566006407.db2.gz BSNVNMVQCXTRRH-UHFFFAOYSA-N 1 2 392.282 3.091 10 0 GGAELO NC(=O)[C@@H](c1ccc(Br)cc1)[N@@H+]1CCC[C@@H](c2nccs2)C1 ZINC000245917035 566010353 /nfs/dbraw/zinc/01/03/53/566010353.db2.gz ROMINDHPHRSEPC-TZMCWYRMSA-N 1 2 380.311 3.312 10 0 GGAELO NC(=O)[C@@H](c1ccc(Br)cc1)[N@H+]1CCC[C@@H](c2nccs2)C1 ZINC000245917035 566010357 /nfs/dbraw/zinc/01/03/57/566010357.db2.gz ROMINDHPHRSEPC-TZMCWYRMSA-N 1 2 380.311 3.312 10 0 GGAELO CC(=O)N(c1nc(C[N@H+](C[C@H]2CCCO2)[C@H]2CCSC2)cs1)C1CC1 ZINC000245918232 566010871 /nfs/dbraw/zinc/01/08/71/566010871.db2.gz SGVVSGVSCCSERO-DLBZAZTESA-N 1 2 381.567 3.145 10 0 GGAELO CC(=O)N(c1nc(C[N@@H+](C[C@H]2CCCO2)[C@H]2CCSC2)cs1)C1CC1 ZINC000245918232 566010876 /nfs/dbraw/zinc/01/08/76/566010876.db2.gz SGVVSGVSCCSERO-DLBZAZTESA-N 1 2 381.567 3.145 10 0 GGAELO Cc1cn2c([nH+]1)CN(C(=O)c1cc3c(cc(Br)cc3F)[nH]1)CC2 ZINC000363671463 566016002 /nfs/dbraw/zinc/01/60/02/566016002.db2.gz JVFANBPNIBWFSA-UHFFFAOYSA-N 1 2 377.217 3.230 10 0 GGAELO COc1cccc(F)c1[C@H](C)[NH2+]CC(=O)Nc1ccc(Br)cn1 ZINC000179899589 566017016 /nfs/dbraw/zinc/01/70/16/566017016.db2.gz HDVAIIZTWPORQO-JTQLQIEISA-N 1 2 382.233 3.281 10 0 GGAELO Cc1cn2c([nH+]1)CN(C(=O)N[C@@H](C)Cc1ccccc1Br)CC2 ZINC000363721609 566018244 /nfs/dbraw/zinc/01/82/44/566018244.db2.gz VCBONCKKKLGKEY-LBPRGKRZSA-N 1 2 377.286 3.110 10 0 GGAELO Cc1cc[nH+]c(C)c1NC(=O)N[C@@](C)(CO)c1ccc(Br)cc1 ZINC000287460123 566019426 /nfs/dbraw/zinc/01/94/26/566019426.db2.gz ISFBGRKLDIHLKB-KRWDZBQOSA-N 1 2 378.270 3.490 10 0 GGAELO CC(C)(C)OC(=O)[C@@H]1CC[N@H+](Cc2cnc3ccc(Br)cn23)C1 ZINC000179959425 566022073 /nfs/dbraw/zinc/02/20/73/566022073.db2.gz IAFCPIISFMRECT-GFCCVEGCSA-N 1 2 380.286 3.260 10 0 GGAELO CC(C)(C)OC(=O)[C@@H]1CC[N@@H+](Cc2cnc3ccc(Br)cn23)C1 ZINC000179959425 566022077 /nfs/dbraw/zinc/02/20/77/566022077.db2.gz IAFCPIISFMRECT-GFCCVEGCSA-N 1 2 380.286 3.260 10 0 GGAELO C[C@H](OC[C@@H](O)C[N@@H+]1CCO[C@@H](c2nccs2)C1)c1ccc(Cl)cc1 ZINC000246306672 566025273 /nfs/dbraw/zinc/02/52/73/566025273.db2.gz FPZQMZZBZCDHIP-RRQGHBQHSA-N 1 2 382.913 3.309 10 0 GGAELO C[C@H](OC[C@@H](O)C[N@H+]1CCO[C@@H](c2nccs2)C1)c1ccc(Cl)cc1 ZINC000246306672 566025277 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566335267 /nfs/dbraw/zinc/33/52/67/566335267.db2.gz NSBUHLZSFGWUBZ-MRXNPFEDSA-N 1 2 396.228 3.311 10 0 GGAELO CC(C)NC(=O)[C@H]1CCC[N@H+](Cc2ccc(Br)c(F)c2F)C1 ZINC000625559811 566335610 /nfs/dbraw/zinc/33/56/10/566335610.db2.gz DKRLJKLWBFIJJF-LBPRGKRZSA-N 1 2 375.257 3.464 10 0 GGAELO CC(C)NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(Br)c(F)c2F)C1 ZINC000625559811 566335616 /nfs/dbraw/zinc/33/56/16/566335616.db2.gz DKRLJKLWBFIJJF-LBPRGKRZSA-N 1 2 375.257 3.464 10 0 GGAELO O=C(C[N@@H+]1CC[C@]12CCOC2)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000421026585 566336109 /nfs/dbraw/zinc/33/61/09/566336109.db2.gz FUOZOWYIUHVFLV-CQSZACIVSA-N 1 2 393.203 3.271 10 0 GGAELO O=C(C[N@H+]1CC[C@]12CCOC2)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000421026585 566336113 /nfs/dbraw/zinc/33/61/13/566336113.db2.gz FUOZOWYIUHVFLV-CQSZACIVSA-N 1 2 393.203 3.271 10 0 GGAELO COc1cc(C(=O)N2CC[NH2+][C@H](c3ccccc3Cl)C2)cc(Cl)c1O ZINC000669914116 566336524 /nfs/dbraw/zinc/33/65/24/566336524.db2.gz YIFRNFMYESOKLG-HNNXBMFYSA-N 1 2 381.259 3.494 10 0 GGAELO Brc1cccc(C[C@H]2CCCC[N@@H+]2Cc2nnc3n2CCOC3)c1 ZINC000421029521 566336595 /nfs/dbraw/zinc/33/65/95/566336595.db2.gz BFJKRMTVRFOWAC-MRXNPFEDSA-N 1 2 391.313 3.168 10 0 GGAELO Brc1cccc(C[C@H]2CCCC[N@H+]2Cc2nnc3n2CCOC3)c1 ZINC000421029521 566336600 /nfs/dbraw/zinc/33/66/00/566336600.db2.gz BFJKRMTVRFOWAC-MRXNPFEDSA-N 1 2 391.313 3.168 10 0 GGAELO C[C@@H](NS(=O)(=O)c1ccccc1Cn1cc[nH+]c1)c1ccc(Cl)cn1 ZINC000509781392 566338075 /nfs/dbraw/zinc/33/80/75/566338075.db2.gz FMYMPXFOQBKSLB-CYBMUJFWSA-N 1 2 376.869 3.019 10 0 GGAELO O=S1(=O)CC[C@H](CC[N@H+]2CC[C@](F)(c3cccc(C(F)(F)F)c3)C2)C1 ZINC000669943366 566338975 /nfs/dbraw/zinc/33/89/75/566338975.db2.gz GNBFNPPADDLLHI-XJKSGUPXSA-N 1 2 379.419 3.401 10 0 GGAELO O=S1(=O)CC[C@H](CC[N@@H+]2CC[C@](F)(c3cccc(C(F)(F)F)c3)C2)C1 ZINC000669943366 566338981 /nfs/dbraw/zinc/33/89/81/566338981.db2.gz GNBFNPPADDLLHI-XJKSGUPXSA-N 1 2 379.419 3.401 10 0 GGAELO C[C@]1(C(N)=O)CCCC[N@@H+]1CCOc1ccc(Cl)cc1Br ZINC000576385635 566342130 /nfs/dbraw/zinc/34/21/30/566342130.db2.gz ASGKAMFGMFQCAG-OAHLLOKOSA-N 1 2 375.694 3.211 10 0 GGAELO C[C@]1(C(N)=O)CCCC[N@H+]1CCOc1ccc(Cl)cc1Br ZINC000576385635 566342134 /nfs/dbraw/zinc/34/21/34/566342134.db2.gz ASGKAMFGMFQCAG-OAHLLOKOSA-N 1 2 375.694 3.211 10 0 GGAELO C[C@@H]([NH2+]CC(=O)N1CCC(c2ccccc2)=N1)c1ccc(Br)cn1 ZINC000482961631 566345889 /nfs/dbraw/zinc/34/58/89/566345889.db2.gz OAUXJNILICYLBP-CYBMUJFWSA-N 1 2 387.281 3.131 10 0 GGAELO O=C(C[N@H+]1CCC[C@@H]1c1ccc(I)cc1)NCC1CCC1 ZINC000536039828 566346613 /nfs/dbraw/zinc/34/66/13/566346613.db2.gz SLEXAZLXTPXZPI-MRXNPFEDSA-N 1 2 398.288 3.344 10 0 GGAELO O=C(C[N@@H+]1CCC[C@@H]1c1ccc(I)cc1)NCC1CCC1 ZINC000536039828 566346616 /nfs/dbraw/zinc/34/66/16/566346616.db2.gz SLEXAZLXTPXZPI-MRXNPFEDSA-N 1 2 398.288 3.344 10 0 GGAELO CN(C)c1c[nH+]ccc1NC(=O)NC1(c2ccc(Br)cc2)CC1 ZINC000670075486 566347188 /nfs/dbraw/zinc/34/71/88/566347188.db2.gz QJQJUKALAYZQOS-UHFFFAOYSA-N 1 2 375.270 3.143 10 0 GGAELO CN(C)c1c[nH+]ccc1NC(=O)NCCc1nc2cc(Cl)ccc2s1 ZINC000670075546 566348052 /nfs/dbraw/zinc/34/80/52/566348052.db2.gz XCEADTXOJAJRLT-UHFFFAOYSA-N 1 2 375.885 3.197 10 0 GGAELO CN(C)c1c[nH+]ccc1NC(=O)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1 ZINC000670078568 566348086 /nfs/dbraw/zinc/34/80/86/566348086.db2.gz HXZGLYYDTDIWKV-XHDPSFHLSA-N 1 2 393.260 3.149 10 0 GGAELO Brc1cccc2c(C[NH+]3CCN(c4nccnn4)CC3)cccc12 ZINC000625645700 566347965 /nfs/dbraw/zinc/34/79/65/566347965.db2.gz ZWFGSDRMUUZOSL-UHFFFAOYSA-N 1 2 384.281 3.110 10 0 GGAELO C[C@H]1Cc2ccc(Br)cc2CN1C(=O)Nc1cc[nH+]cc1N(C)C ZINC000670077151 566348117 /nfs/dbraw/zinc/34/81/17/566348117.db2.gz JRPWKUKEQNBPAE-LBPRGKRZSA-N 1 2 389.297 3.311 10 0 GGAELO COCCOc1ccc(Br)cc1NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000576478397 566349794 /nfs/dbraw/zinc/34/97/94/566349794.db2.gz YEWLPOIOZGCZBY-LLVKDONJSA-N 1 2 382.258 3.015 10 0 GGAELO COCCOc1ccc(Br)cc1NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000576478397 566349797 /nfs/dbraw/zinc/34/97/97/566349797.db2.gz 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566358889 /nfs/dbraw/zinc/35/88/89/566358889.db2.gz ROCLXRFZZLBOPF-GOSISDBHSA-N 1 2 394.313 3.184 10 0 GGAELO COc1cc(Br)ccc1[C@@H]1CCC[N@@H+]1C[C@H]1CCS(=O)(=O)C1 ZINC000625795762 566359780 /nfs/dbraw/zinc/35/97/80/566359780.db2.gz WOYLAELWYZAAMD-DOMZBBRYSA-N 1 2 388.327 3.029 10 0 GGAELO COc1cc(Br)ccc1[C@@H]1CCC[N@H+]1C[C@H]1CCS(=O)(=O)C1 ZINC000625795762 566359788 /nfs/dbraw/zinc/35/97/88/566359788.db2.gz WOYLAELWYZAAMD-DOMZBBRYSA-N 1 2 388.327 3.029 10 0 GGAELO CC[C@@H]1C[N@H+](Cc2nc3ccc(Br)cc3n2C)C[C@]2(CCOC2)O1 ZINC000483151752 566360361 /nfs/dbraw/zinc/36/03/61/566360361.db2.gz JFEPDIIGAMNHRM-KDOFPFPSSA-N 1 2 394.313 3.106 10 0 GGAELO CC[C@@H]1C[N@@H+](Cc2nc3ccc(Br)cc3n2C)C[C@]2(CCOC2)O1 ZINC000483151752 566360367 /nfs/dbraw/zinc/36/03/67/566360367.db2.gz JFEPDIIGAMNHRM-KDOFPFPSSA-N 1 2 394.313 3.106 10 0 GGAELO CC[C@@H]1C[N@H+](Cc2ccc(I)cc2)C[C@]2(CCOC2)O1 ZINC000483182041 566361986 /nfs/dbraw/zinc/36/19/86/566361986.db2.gz HPXIDWZOFGPUFB-CVEARBPZSA-N 1 2 387.261 3.061 10 0 GGAELO CC[C@@H]1C[N@@H+](Cc2ccc(I)cc2)C[C@]2(CCOC2)O1 ZINC000483182041 566361989 /nfs/dbraw/zinc/36/19/89/566361989.db2.gz HPXIDWZOFGPUFB-CVEARBPZSA-N 1 2 387.261 3.061 10 0 GGAELO Cc1ccc(C[N@H+](CCO)CC(=O)Nc2ccc(Br)cc2C)o1 ZINC000483185302 566363610 /nfs/dbraw/zinc/36/36/10/566363610.db2.gz MXDWEKPKOBMLQG-UHFFFAOYSA-N 1 2 381.270 3.092 10 0 GGAELO Cc1ccc(C[N@@H+](CCO)CC(=O)Nc2ccc(Br)cc2C)o1 ZINC000483185302 566363613 /nfs/dbraw/zinc/36/36/13/566363613.db2.gz MXDWEKPKOBMLQG-UHFFFAOYSA-N 1 2 381.270 3.092 10 0 GGAELO C[N@@H+]1CC[C@@H](NS(=O)(=O)c2cc(F)ccc2F)[C@@H]1c1ccc(Cl)cc1 ZINC000536323056 566364596 /nfs/dbraw/zinc/36/45/96/566364596.db2.gz BXKNQMZHHKKMEX-WBVHZDCISA-N 1 2 386.851 3.342 10 0 GGAELO C[N@H+]1CC[C@@H](NS(=O)(=O)c2cc(F)ccc2F)[C@@H]1c1ccc(Cl)cc1 ZINC000536323056 566364604 /nfs/dbraw/zinc/36/46/04/566364604.db2.gz BXKNQMZHHKKMEX-WBVHZDCISA-N 1 2 386.851 3.342 10 0 GGAELO COc1ccc(C[N@H+](CCO)Cc2ccc(C)o2)c(Br)c1OC ZINC000483216727 566364880 /nfs/dbraw/zinc/36/48/80/566364880.db2.gz BFGMEZAOOHNERR-UHFFFAOYSA-N 1 2 384.270 3.362 10 0 GGAELO COc1ccc(C[N@@H+](CCO)Cc2ccc(C)o2)c(Br)c1OC ZINC000483216727 566364881 /nfs/dbraw/zinc/36/48/81/566364881.db2.gz BFGMEZAOOHNERR-UHFFFAOYSA-N 1 2 384.270 3.362 10 0 GGAELO Cc1c(Cl)c(CN[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)nn1C ZINC000421323459 566364974 /nfs/dbraw/zinc/36/49/74/566364974.db2.gz ARAFJFVUGNWIEB-AEFFLSMTSA-N 1 2 383.323 3.197 10 0 GGAELO Cc1c(Cl)c(CN[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)nn1C ZINC000421323459 566364976 /nfs/dbraw/zinc/36/49/76/566364976.db2.gz ARAFJFVUGNWIEB-AEFFLSMTSA-N 1 2 383.323 3.197 10 0 GGAELO Cc1c(Cl)c(C[NH2+]Cc2cc(Br)c3c(c2)OCCO3)nn1C ZINC000421320442 566365163 /nfs/dbraw/zinc/36/51/63/566365163.db2.gz CFXASCHVCFZZJL-UHFFFAOYSA-N 1 2 386.677 3.205 10 0 GGAELO Cc1ccc(C[N@H+](CCO)CC[S@](=O)c2cc(Cl)ccc2Cl)o1 ZINC000483219973 566365368 /nfs/dbraw/zinc/36/53/68/566365368.db2.gz VKYNIADDZQZPOL-QHCPKHFHSA-N 1 2 376.305 3.497 10 0 GGAELO Cc1ccc(C[N@@H+](CCO)CC[S@](=O)c2cc(Cl)ccc2Cl)o1 ZINC000483219973 566365375 /nfs/dbraw/zinc/36/53/75/566365375.db2.gz VKYNIADDZQZPOL-QHCPKHFHSA-N 1 2 376.305 3.497 10 0 GGAELO Cc1c(Cl)c(C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)nn1C ZINC000421333203 566366299 /nfs/dbraw/zinc/36/62/99/566366299.db2.gz WLBBQPOTSSSGIO-LBPRGKRZSA-N 1 2 382.295 3.281 10 0 GGAELO Cc1c(Cl)c(C[N@H+]2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)nn1C ZINC000421333203 566366307 /nfs/dbraw/zinc/36/63/07/566366307.db2.gz WLBBQPOTSSSGIO-LBPRGKRZSA-N 1 2 382.295 3.281 10 0 GGAELO Cc1cn2c([nH+]1)C[C@H](C(=O)NC[C@@H](C)Oc1cccc(Br)c1)CC2 ZINC000625890537 566367082 /nfs/dbraw/zinc/36/70/82/566367082.db2.gz LZIJCWMCDCEIKC-ZIAGYGMSSA-N 1 2 392.297 3.100 10 0 GGAELO Cc1cnc(CN2CC[NH+]([C@@H](C)c3ccc(Br)cc3)CC2)nc1 ZINC000536364444 566367349 /nfs/dbraw/zinc/36/73/49/566367349.db2.gz BOVZUWQOJRRHQB-HNNXBMFYSA-N 1 2 375.314 3.426 10 0 GGAELO C[C@@H](Cn1cc[nH+]c1)NC(=O)NC1(c2ccccc2Br)CCC1 ZINC000649491285 566367590 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DPHVFEHASFMTDT-OAHLLOKOSA-N 1 2 381.263 3.210 10 0 GGAELO CS(=O)(=O)CC[C@H]1CCCC[N@@H+]1Cc1cccc(F)c1Br ZINC000449335860 566550846 /nfs/dbraw/zinc/55/08/46/566550846.db2.gz KNOSBKKJXQAIMC-CYBMUJFWSA-N 1 2 378.307 3.377 10 0 GGAELO CS(=O)(=O)CC[C@H]1CCCC[N@H+]1Cc1cccc(F)c1Br ZINC000449335860 566550850 /nfs/dbraw/zinc/55/08/50/566550850.db2.gz KNOSBKKJXQAIMC-CYBMUJFWSA-N 1 2 378.307 3.377 10 0 GGAELO CS(=O)(=O)CC[C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1Br ZINC000449335861 566551091 /nfs/dbraw/zinc/55/10/91/566551091.db2.gz KNOSBKKJXQAIMC-ZDUSSCGKSA-N 1 2 378.307 3.377 10 0 GGAELO CS(=O)(=O)CC[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1Br ZINC000449335861 566551097 /nfs/dbraw/zinc/55/10/97/566551097.db2.gz KNOSBKKJXQAIMC-ZDUSSCGKSA-N 1 2 378.307 3.377 10 0 GGAELO Cc1nn(C)c(C)c1[C@@H]1COCC[N@@H+]1CCOc1cccc(Br)c1 ZINC000538957413 566551873 /nfs/dbraw/zinc/55/18/73/566551873.db2.gz AVIKTVNHUREYGX-KRWDZBQOSA-N 1 2 394.313 3.252 10 0 GGAELO Cc1nn(C)c(C)c1[C@@H]1COCC[N@H+]1CCOc1cccc(Br)c1 ZINC000538957413 566551883 /nfs/dbraw/zinc/55/18/83/566551883.db2.gz AVIKTVNHUREYGX-KRWDZBQOSA-N 1 2 394.313 3.252 10 0 GGAELO CS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2cnc(-c3c(F)cccc3F)s2)C1 ZINC000449341456 566553057 /nfs/dbraw/zinc/55/30/57/566553057.db2.gz UAXTZOWXJMWILA-GFCCVEGCSA-N 1 2 386.489 3.345 10 0 GGAELO CS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2cnc(-c3c(F)cccc3F)s2)C1 ZINC000449341456 566553060 /nfs/dbraw/zinc/55/30/60/566553060.db2.gz UAXTZOWXJMWILA-GFCCVEGCSA-N 1 2 386.489 3.345 10 0 GGAELO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@@H+]1CCC[C@@](C)(F)C1 ZINC000449349173 566553136 /nfs/dbraw/zinc/55/31/36/566553136.db2.gz IZFUOLAEBWZJDG-YVEFUNNKSA-N 1 2 387.293 3.286 10 0 GGAELO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@H+]1CCC[C@@](C)(F)C1 ZINC000449349173 566553139 /nfs/dbraw/zinc/55/31/39/566553139.db2.gz IZFUOLAEBWZJDG-YVEFUNNKSA-N 1 2 387.293 3.286 10 0 GGAELO CCc1ccc(C[NH+]2CCN(C(=O)NCc3sc(C)nc3C)CC2)s1 ZINC000466114014 566558414 /nfs/dbraw/zinc/55/84/14/566558414.db2.gz VRRMZTKSEKDFGS-UHFFFAOYSA-N 1 2 378.567 3.411 10 0 GGAELO C[C@H](C[NH+]1CCN(c2ccc(C(F)(F)F)cc2Cl)CC1)CS(C)(=O)=O ZINC000512805889 566558761 /nfs/dbraw/zinc/55/87/61/566558761.db2.gz NLIIOIIFVVILAD-GFCCVEGCSA-N 1 2 398.878 3.162 10 0 GGAELO Cc1cc(Br)c2c(c1)CN(C(=O)Cc1cn3c([nH+]1)CCCC3)CC2 ZINC000651774436 566561581 /nfs/dbraw/zinc/56/15/81/566561581.db2.gz BBACTOBTYQMFHA-UHFFFAOYSA-N 1 2 388.309 3.418 10 0 GGAELO COC(=O)[C@@H]1Cc2c(Br)cccc2C[N@@H+]1C[C@@H]1CCO[C@@H](C)C1 ZINC000449428578 566562360 /nfs/dbraw/zinc/56/23/60/566562360.db2.gz VIPFCGQIORZBFE-AHIWAGSCSA-N 1 2 382.298 3.164 10 0 GGAELO COC(=O)[C@@H]1Cc2c(Br)cccc2C[N@H+]1C[C@@H]1CCO[C@@H](C)C1 ZINC000449428578 566562364 /nfs/dbraw/zinc/56/23/64/566562364.db2.gz VIPFCGQIORZBFE-AHIWAGSCSA-N 1 2 382.298 3.164 10 0 GGAELO CO[C@H]1C[C@@H](C[NH2+]Cc2cc(Br)c(O)c(Br)c2)C1 ZINC000628494807 566562592 /nfs/dbraw/zinc/56/25/92/566562592.db2.gz ZGOVGHRKEPCKAT-WAAGHKOSSA-N 1 2 379.092 3.432 10 0 GGAELO Cn1ncc(Br)c1C[NH2+][C@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000449438850 566563038 /nfs/dbraw/zinc/56/30/38/566563038.db2.gz RKVRTDGJLPKEGJ-CYBMUJFWSA-N 1 2 392.219 3.415 10 0 GGAELO CCc1ncc(C[NH2+]Cc2c(Br)cncc2Br)o1 ZINC000449611119 566585093 /nfs/dbraw/zinc/58/50/93/566585093.db2.gz UIWKSDXIAOHAJY-UHFFFAOYSA-N 1 2 375.064 3.447 10 0 GGAELO O=S(=O)(NCc1[nH+]ccn1CC(F)(F)F)c1cc(Cl)cc(Cl)c1 ZINC000539174077 566566054 /nfs/dbraw/zinc/56/60/54/566566054.db2.gz XOIWGZWIHOIOPP-UHFFFAOYSA-N 1 2 388.198 3.231 10 0 GGAELO Cc1cc(Br)cc2c1CN(C(=O)N[C@H](C)Cn1cc[nH+]c1)CC2 ZINC000539191155 566566534 /nfs/dbraw/zinc/56/65/34/566566534.db2.gz QAHSQRIZTVDLMA-CYBMUJFWSA-N 1 2 377.286 3.110 10 0 GGAELO CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]Cc1nn(C)cc1Br ZINC000449482071 566567067 /nfs/dbraw/zinc/56/70/67/566567067.db2.gz AIOLQZAZKOGEKS-GFCCVEGCSA-N 1 2 379.302 3.252 10 0 GGAELO CCc1ccccc1NC(=O)C[C@H](C)[NH2+]Cc1nn(C)cc1Br ZINC000449482072 566567174 /nfs/dbraw/zinc/56/71/74/566567174.db2.gz AIOLQZAZKOGEKS-LBPRGKRZSA-N 1 2 379.302 3.252 10 0 GGAELO O=C(c1cc(Cl)c(F)cc1Cl)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000559714019 566567500 /nfs/dbraw/zinc/56/75/00/566567500.db2.gz KNLVUZZGIUWMDX-GFCCVEGCSA-N 1 2 375.271 3.459 10 0 GGAELO CCOCCOc1ccc(Br)cc1C[N@@H+]1CC[C@@](O)(C(F)F)C1 ZINC000449477276 566568057 /nfs/dbraw/zinc/56/80/57/566568057.db2.gz WGKBRVCECQXSSC-INIZCTEOSA-N 1 2 394.256 3.066 10 0 GGAELO CCOCCOc1ccc(Br)cc1C[N@H+]1CC[C@@](O)(C(F)F)C1 ZINC000449477276 566568058 /nfs/dbraw/zinc/56/80/58/566568058.db2.gz WGKBRVCECQXSSC-INIZCTEOSA-N 1 2 394.256 3.066 10 0 GGAELO O=C(Nc1ccccc1OCCn1cc[nH+]c1)c1ncsc1Br ZINC000512943437 566569402 /nfs/dbraw/zinc/56/94/02/566569402.db2.gz PBFFHCDWUPIILR-UHFFFAOYSA-N 1 2 393.266 3.433 10 0 GGAELO COc1cc(Br)ccc1[C@H](C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651864329 566569840 /nfs/dbraw/zinc/56/98/40/566569840.db2.gz PWYBEOKJNQQILK-LBPRGKRZSA-N 1 2 392.297 3.410 10 0 GGAELO Cc1cc(S(=O)(=O)N[C@H](Cc2ccccc2)c2[nH+]ccn2C)sc1C ZINC000651874178 566571719 /nfs/dbraw/zinc/57/17/19/566571719.db2.gz NVPMRAFKMDJDOE-MRXNPFEDSA-N 1 2 375.519 3.361 10 0 GGAELO Cc1cc(S(=O)(=O)N[C@@H](Cc2ccccc2)c2[nH+]ccn2C)sc1C ZINC000651874177 566571758 /nfs/dbraw/zinc/57/17/58/566571758.db2.gz NVPMRAFKMDJDOE-INIZCTEOSA-N 1 2 375.519 3.361 10 0 GGAELO Cc1cc(Br)cc2c1CN(C(=O)NCCCn1cc[nH+]c1)CC2 ZINC000539313142 566573972 /nfs/dbraw/zinc/57/39/72/566573972.db2.gz NTKGDMQXOSYDLY-UHFFFAOYSA-N 1 2 377.286 3.112 10 0 GGAELO O=C(N[C@@H]1CCc2cc(Br)ccc21)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000486268443 566574487 /nfs/dbraw/zinc/57/44/87/566574487.db2.gz KCSOASGKPZPVCN-QZTJIDSGSA-N 1 2 393.325 3.196 10 0 GGAELO O=C(N[C@@H]1CCc2cc(Br)ccc21)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000486268443 566574495 /nfs/dbraw/zinc/57/44/95/566574495.db2.gz KCSOASGKPZPVCN-QZTJIDSGSA-N 1 2 393.325 3.196 10 0 GGAELO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1nc2ccc(Br)cc2o1 ZINC000579064977 566576345 /nfs/dbraw/zinc/57/63/45/566576345.db2.gz XEPWCNFWULMVIS-SIVJFFJCSA-N 1 2 379.254 3.364 10 0 GGAELO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1nc2ccc(Br)cc2o1 ZINC000579064977 566576353 /nfs/dbraw/zinc/57/63/53/566576353.db2.gz XEPWCNFWULMVIS-SIVJFFJCSA-N 1 2 379.254 3.364 10 0 GGAELO O=C(Cc1cn2c([nH+]1)CCCC2)N[C@@H]1CSc2ccc(Br)cc21 ZINC000651921456 566576601 /nfs/dbraw/zinc/57/66/01/566576601.db2.gz KLCPEFRSWJDWHF-CQSZACIVSA-N 1 2 392.322 3.488 10 0 GGAELO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1nc2ccc(Br)cc2o1 ZINC000579064975 566576596 /nfs/dbraw/zinc/57/65/96/566576596.db2.gz XEPWCNFWULMVIS-IETSOEAISA-N 1 2 379.254 3.364 10 0 GGAELO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1Cc1nc2ccc(Br)cc2o1 ZINC000579064975 566576598 /nfs/dbraw/zinc/57/65/98/566576598.db2.gz XEPWCNFWULMVIS-IETSOEAISA-N 1 2 379.254 3.364 10 0 GGAELO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1nc2ccc(Br)cc2o1 ZINC000579064978 566577087 /nfs/dbraw/zinc/57/70/87/566577087.db2.gz XEPWCNFWULMVIS-XAGWURHQSA-N 1 2 379.254 3.364 10 0 GGAELO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1nc2ccc(Br)cc2o1 ZINC000579064978 566577091 /nfs/dbraw/zinc/57/70/91/566577091.db2.gz XEPWCNFWULMVIS-XAGWURHQSA-N 1 2 379.254 3.364 10 0 GGAELO Cc1[nH+]c2ccccc2n1CCc1noc(-c2nn(C)cc2Br)n1 ZINC000559967456 566579695 /nfs/dbraw/zinc/57/96/95/566579695.db2.gz HOKLMDWBJUBNAK-UHFFFAOYSA-N 1 2 387.241 3.133 10 0 GGAELO CSc1ccc(NC(=O)C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1Cl ZINC000674202594 566579689 /nfs/dbraw/zinc/57/96/89/566579689.db2.gz CRVPRMRENSFLSS-ZDUSSCGKSA-N 1 2 378.885 3.061 10 0 GGAELO O=C(c1nscc1Br)N1CC[NH2+][C@@H](c2ccccc2Cl)C1 ZINC000651997829 566582586 /nfs/dbraw/zinc/58/25/86/566582586.db2.gz BDAHGNHOADJAPA-GFCCVEGCSA-N 1 2 386.702 3.346 10 0 GGAELO O=C(Cc1cn2c([nH+]1)CCCC2)N[C@H](c1cncc(Br)c1)C1CC1 ZINC000652025588 566584235 /nfs/dbraw/zinc/58/42/35/566584235.db2.gz LHTMOOIUTDPUOP-SFHVURJKSA-N 1 2 389.297 3.187 10 0 GGAELO COC(=O)C[C@@](C)([NH2+]Cc1nnc(C)s1)c1ccc(Br)cc1 ZINC000513151491 566584567 /nfs/dbraw/zinc/58/45/67/566584567.db2.gz YBXSMZWSUUOQMF-OAHLLOKOSA-N 1 2 384.299 3.177 10 0 GGAELO Cc1cc(Br)cn2c(CN3CC[C@H]([C@@H](O)C(F)(F)F)C3)c[nH+]c12 ZINC000449671171 566586548 /nfs/dbraw/zinc/58/65/48/566586548.db2.gz KDIMQUBJJLVXJA-GXFFZTMASA-N 1 2 392.219 3.150 10 0 GGAELO Cc1cc(Br)cn2c(CN3CC[C@@H]([C@@H](O)C(F)(F)F)C3)c[nH+]c12 ZINC000449671173 566587207 /nfs/dbraw/zinc/58/72/07/566587207.db2.gz KDIMQUBJJLVXJA-ZWNOBZJWSA-N 1 2 392.219 3.150 10 0 GGAELO C[C@@H](NC(=O)Cc1noc(Cn2cc[nH+]c2)n1)c1ccc(Cl)cc1Cl ZINC000579183893 566587216 /nfs/dbraw/zinc/58/72/16/566587216.db2.gz XPBHFQJAZVQUEZ-SNVBAGLBSA-N 1 2 380.235 3.041 10 0 GGAELO O[C@H]([C@@H]1CC[N@H+](Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)C1)C(F)(F)F ZINC000449668882 566587406 /nfs/dbraw/zinc/58/74/06/566587406.db2.gz GZNCSTLHUWPEAE-YMTOWFKASA-N 1 2 395.212 3.319 10 0 GGAELO O[C@H]([C@@H]1CC[N@@H+](Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)C1)C(F)(F)F ZINC000449668882 566587408 /nfs/dbraw/zinc/58/74/08/566587408.db2.gz GZNCSTLHUWPEAE-YMTOWFKASA-N 1 2 395.212 3.319 10 0 GGAELO O[C@@H]([C@H]1CC[N@H+](Cc2cn(-c3ccc(Cl)cc3Cl)nn2)C1)C(F)(F)F ZINC000449672339 566587977 /nfs/dbraw/zinc/58/79/77/566587977.db2.gz MLOLBCSHOWJFRD-XPTSAGLGSA-N 1 2 395.212 3.319 10 0 GGAELO O[C@@H]([C@H]1CC[N@@H+](Cc2cn(-c3ccc(Cl)cc3Cl)nn2)C1)C(F)(F)F ZINC000449672339 566587981 /nfs/dbraw/zinc/58/79/81/566587981.db2.gz MLOLBCSHOWJFRD-XPTSAGLGSA-N 1 2 395.212 3.319 10 0 GGAELO O[C@@H]([C@@H]1CC[N@H+](Cc2ccc(I)cc2)C1)C(F)(F)F ZINC000449669315 566588031 /nfs/dbraw/zinc/58/80/31/566588031.db2.gz HRHYHZUHCGWUQC-PWSUYJOCSA-N 1 2 385.167 3.036 10 0 GGAELO O[C@@H]([C@@H]1CC[N@@H+](Cc2ccc(I)cc2)C1)C(F)(F)F ZINC000449669315 566588032 /nfs/dbraw/zinc/58/80/32/566588032.db2.gz HRHYHZUHCGWUQC-PWSUYJOCSA-N 1 2 385.167 3.036 10 0 GGAELO O=C(N=c1nc(-c2ccsc2)[nH]s1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000560041043 566590630 /nfs/dbraw/zinc/59/06/30/566590630.db2.gz HWDOXVFSAASFHN-UHFFFAOYSA-N 1 2 391.547 3.100 10 0 GGAELO O=C(Cc1cn2c([nH+]1)CCCC2)N[C@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000652101840 566590772 /nfs/dbraw/zinc/59/07/72/566590772.db2.gz ZRGGHQKOHSZHPY-MRXNPFEDSA-N 1 2 382.291 3.309 10 0 GGAELO O=C(NCCc1ccc(Br)cc1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000605058132 566594805 /nfs/dbraw/zinc/59/48/05/566594805.db2.gz COTDVLWSWAGRRQ-INIZCTEOSA-N 1 2 377.286 3.235 10 0 GGAELO CCc1[nH+]c2ccccc2n1CC(=O)N[C@H](C)c1ncc(Br)cn1 ZINC000486510672 566594966 /nfs/dbraw/zinc/59/49/66/566594966.db2.gz XRGYGOCDQFNIEL-LLVKDONJSA-N 1 2 388.269 3.029 10 0 GGAELO CCc1[nH+]c2ccccc2n1CC(=O)N[C@@H](C)c1ncc(Br)cn1 ZINC000486510673 566595311 /nfs/dbraw/zinc/59/53/11/566595311.db2.gz XRGYGOCDQFNIEL-NSHDSACASA-N 1 2 388.269 3.029 10 0 GGAELO O=C(NCCc1ccc(Br)cc1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000605058133 566595825 /nfs/dbraw/zinc/59/58/25/566595825.db2.gz COTDVLWSWAGRRQ-MRXNPFEDSA-N 1 2 377.286 3.235 10 0 GGAELO COc1ccc2c(c1)c(=O)ncn2Cc1cn2cc(Cl)cc(Cl)c2[nH+]1 ZINC000579290851 566596759 /nfs/dbraw/zinc/59/67/59/566596759.db2.gz OELCTSDCBQSIKJ-UHFFFAOYSA-N 1 2 375.215 3.408 10 0 GGAELO Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628923975 566597445 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3.037 10 0 GGAELO CC[N@H+](CC(=O)OC)Cc1cc(Br)c(OC(F)F)c(OC)c1 ZINC000513412219 566600493 /nfs/dbraw/zinc/60/04/93/566600493.db2.gz WQSCZYQOVGJAKL-UHFFFAOYSA-N 1 2 382.201 3.054 10 0 GGAELO CC[N@@H+](CC(=O)OC)Cc1cc(Br)c(OC(F)F)c(OC)c1 ZINC000513412219 566600499 /nfs/dbraw/zinc/60/04/99/566600499.db2.gz WQSCZYQOVGJAKL-UHFFFAOYSA-N 1 2 382.201 3.054 10 0 GGAELO C[C@@H](c1noc([C@H](c2ccccc2)[NH+](C)C)n1)n1cc(Br)cn1 ZINC000579353261 566603233 /nfs/dbraw/zinc/60/32/33/566603233.db2.gz WNDNSIYBRMTPHS-FZMZJTMJSA-N 1 2 376.258 3.289 10 0 GGAELO COC(=O)[C@@H]([NH2+]CC1(c2ccc(Br)cc2)CCOCC1)C1CC1 ZINC000513459170 566603365 /nfs/dbraw/zinc/60/33/65/566603365.db2.gz YAUSYUWULZKRGW-INIZCTEOSA-N 1 2 382.298 3.039 10 0 GGAELO O=C(C[N@H+](Cc1ccc(Br)s1)C[C@@H]1CCCO1)N1CCCC1 ZINC000539836103 566607531 /nfs/dbraw/zinc/60/75/31/566607531.db2.gz RPUSSEPJMUTBMF-ZDUSSCGKSA-N 1 2 387.343 3.114 10 0 GGAELO O=C(C[N@@H+](Cc1ccc(Br)s1)C[C@@H]1CCCO1)N1CCCC1 ZINC000539836103 566607536 /nfs/dbraw/zinc/60/75/36/566607536.db2.gz RPUSSEPJMUTBMF-ZDUSSCGKSA-N 1 2 387.343 3.114 10 0 GGAELO C[C@@H](NC(=O)c1c(Cl)cc(F)cc1Br)[C@H](C)[NH+]1CCOCC1 ZINC000449845465 566609129 /nfs/dbraw/zinc/60/91/29/566609129.db2.gz PRTLKPSXBRIZAV-ZJUUUORDSA-N 1 2 393.684 3.081 10 0 GGAELO C[C@H](NC(=O)c1c(Cl)cc(F)cc1Br)[C@H](C)[NH+]1CCOCC1 ZINC000449845463 566609196 /nfs/dbraw/zinc/60/91/96/566609196.db2.gz PRTLKPSXBRIZAV-UWVGGRQHSA-N 1 2 393.684 3.081 10 0 GGAELO CN(C)c1cc(NC(=O)C2CCC(C(C)(C)O)CC2)[nH+]cc1Br ZINC000652418522 566610914 /nfs/dbraw/zinc/61/09/14/566610914.db2.gz XOKJPRORSNGVKR-UHFFFAOYSA-N 1 2 384.318 3.426 10 0 GGAELO COC(=O)c1ccc(C[NH2+]Cc2nccn2CC(C)C)c(Br)c1 ZINC000560257455 566611221 /nfs/dbraw/zinc/61/12/21/566611221.db2.gz OEABXFHTORQMKS-UHFFFAOYSA-N 1 2 380.286 3.378 10 0 GGAELO COC(=O)c1ccc(CNCc2[nH+]ccn2CC(C)C)c(Br)c1 ZINC000560257455 566611226 /nfs/dbraw/zinc/61/12/26/566611226.db2.gz OEABXFHTORQMKS-UHFFFAOYSA-N 1 2 380.286 3.378 10 0 GGAELO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3cccc(I)c3)[C@@H]2C1 ZINC000560260978 566611827 /nfs/dbraw/zinc/61/18/27/566611827.db2.gz KPUPLCJGGHXIMB-OAGGEKHMSA-N 1 2 387.261 3.060 10 0 GGAELO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3cccc(I)c3)[C@@H]2C1 ZINC000560260978 566611833 /nfs/dbraw/zinc/61/18/33/566611833.db2.gz KPUPLCJGGHXIMB-OAGGEKHMSA-N 1 2 387.261 3.060 10 0 GGAELO O=C(CC[N@@H+]1CCOC[C@@H]1c1ccco1)Nc1cccc(Br)c1 ZINC000605574991 566613755 /nfs/dbraw/zinc/61/37/55/566613755.db2.gz BDPSGLSPAHCLAH-OAHLLOKOSA-N 1 2 379.254 3.444 10 0 GGAELO O=C(CC[N@H+]1CCOC[C@@H]1c1ccco1)Nc1cccc(Br)c1 ZINC000605574991 566613763 /nfs/dbraw/zinc/61/37/63/566613763.db2.gz BDPSGLSPAHCLAH-OAHLLOKOSA-N 1 2 379.254 3.444 10 0 GGAELO O=C(CC[N@@H+]1CCOC[C@H]1c1ccco1)Nc1cccc(Br)c1 ZINC000605574990 566614025 /nfs/dbraw/zinc/61/40/25/566614025.db2.gz BDPSGLSPAHCLAH-HNNXBMFYSA-N 1 2 379.254 3.444 10 0 GGAELO O=C(CC[N@H+]1CCOC[C@H]1c1ccco1)Nc1cccc(Br)c1 ZINC000605574990 566614033 /nfs/dbraw/zinc/61/40/33/566614033.db2.gz BDPSGLSPAHCLAH-HNNXBMFYSA-N 1 2 379.254 3.444 10 0 GGAELO O=C(c1cc(Br)c(F)cc1O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000449914361 566614688 /nfs/dbraw/zinc/61/46/88/566614688.db2.gz QBDGNEFOADJHHR-UHFFFAOYSA-N 1 2 385.277 3.384 10 0 GGAELO O=C(c1cc(Br)c(F)cc1O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000449914361 566614692 /nfs/dbraw/zinc/61/46/92/566614692.db2.gz QBDGNEFOADJHHR-UHFFFAOYSA-N 1 2 385.277 3.384 10 0 GGAELO O=C(CSCc1ccc(Br)cc1F)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000560344737 566616489 /nfs/dbraw/zinc/61/64/89/566616489.db2.gz GWNYQFLVKLYYOB-GFCCVEGCSA-N 1 2 398.301 3.218 10 0 GGAELO O=C(CSCc1ccc(Br)cc1F)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000560344737 566616497 /nfs/dbraw/zinc/61/64/97/566616497.db2.gz GWNYQFLVKLYYOB-GFCCVEGCSA-N 1 2 398.301 3.218 10 0 GGAELO Cc1cnc(N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c(I)c1 ZINC000425232127 566620208 /nfs/dbraw/zinc/62/02/08/566620208.db2.gz FCCLQKWICDRYPP-TZMCWYRMSA-N 1 2 382.249 3.279 10 0 GGAELO Cc1cnc(N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c(I)c1 ZINC000425232126 566620364 /nfs/dbraw/zinc/62/03/64/566620364.db2.gz FCCLQKWICDRYPP-OCCSQVGLSA-N 1 2 382.249 3.279 10 0 GGAELO Cc1cnc(N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c(I)c1 ZINC000425232120 566620472 /nfs/dbraw/zinc/62/04/72/566620472.db2.gz FCCLQKWICDRYPP-GXTWGEPZSA-N 1 2 382.249 3.279 10 0 GGAELO O=C(N[C@H]1CCc2c1cccc2Br)c1cc(-n2cc[nH+]c2)ccn1 ZINC000540036916 566623571 /nfs/dbraw/zinc/62/35/71/566623571.db2.gz HFPYGIRXEUZGHU-INIZCTEOSA-N 1 2 383.249 3.447 10 0 GGAELO COc1cc(Br)ccc1[C@@H](C)NC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000579657985 566627917 /nfs/dbraw/zinc/62/79/17/566627917.db2.gz RPUKVLHPCBLJIP-ZYHUDNBSSA-N 1 2 393.285 3.099 10 0 GGAELO COc1cc(Br)ccc1[C@@H](C)NC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000579657985 566627922 /nfs/dbraw/zinc/62/79/22/566627922.db2.gz RPUKVLHPCBLJIP-ZYHUDNBSSA-N 1 2 393.285 3.099 10 0 GGAELO Cc1cccc2c1C[C@@H]([NH2+][C@H](C(N)=O)c1ccc(Br)cc1F)CO2 ZINC000629252589 566629492 /nfs/dbraw/zinc/62/94/92/566629492.db2.gz GZRBPBDFCCPAFH-PXAZEXFGSA-N 1 2 393.256 3.016 10 0 GGAELO Cc1cccc2c1C[C@H]([NH2+][C@H](C(N)=O)c1ccc(Br)cc1F)CO2 ZINC000629252590 566629566 /nfs/dbraw/zinc/62/95/66/566629566.db2.gz GZRBPBDFCCPAFH-SJCJKPOMSA-N 1 2 393.256 3.016 10 0 GGAELO Cc1cccc2c1C[C@@H]([NH2+][C@@H](C(N)=O)c1ccc(Br)cc1F)CO2 ZINC000629252591 566629743 /nfs/dbraw/zinc/62/97/43/566629743.db2.gz GZRBPBDFCCPAFH-SJKOYZFVSA-N 1 2 393.256 3.016 10 0 GGAELO CCc1ccc(C[NH+]2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)s1 ZINC000606462427 566632820 /nfs/dbraw/zinc/63/28/20/566632820.db2.gz RDPJSWTUNBWZAG-UHFFFAOYSA-N 1 2 384.954 3.470 10 0 GGAELO CCc1ccc(C[NH+]2CCN(S(=O)(=O)Cc3cccc(F)c3)CC2)s1 ZINC000606462411 566633109 /nfs/dbraw/zinc/63/31/09/566633109.db2.gz NIQXBAOAIZTODX-UHFFFAOYSA-N 1 2 382.526 3.097 10 0 GGAELO CCOC(=O)C[N@H+](C[C@@H](O)COc1c(Cl)cccc1Cl)C1CCC1 ZINC000467188659 566633345 /nfs/dbraw/zinc/63/33/45/566633345.db2.gz XHQKYLCWRYSSTJ-CYBMUJFWSA-N 1 2 376.280 3.151 10 0 GGAELO CCOC(=O)C[N@@H+](C[C@@H](O)COc1c(Cl)cccc1Cl)C1CCC1 ZINC000467188659 566633355 /nfs/dbraw/zinc/63/33/55/566633355.db2.gz XHQKYLCWRYSSTJ-CYBMUJFWSA-N 1 2 376.280 3.151 10 0 GGAELO CCOC(=O)C[N@H+](C[C@H](O)COc1c(Cl)cccc1Cl)C1CCC1 ZINC000467188660 566633602 /nfs/dbraw/zinc/63/36/02/566633602.db2.gz XHQKYLCWRYSSTJ-ZDUSSCGKSA-N 1 2 376.280 3.151 10 0 GGAELO CCOC(=O)C[N@@H+](C[C@H](O)COc1c(Cl)cccc1Cl)C1CCC1 ZINC000467188660 566633608 /nfs/dbraw/zinc/63/36/08/566633608.db2.gz XHQKYLCWRYSSTJ-ZDUSSCGKSA-N 1 2 376.280 3.151 10 0 GGAELO CN(C)c1[nH]c2ccc(NC(=O)Cc3ccc(Br)cc3O)cc2[nH+]1 ZINC000579737875 566634917 /nfs/dbraw/zinc/63/49/17/566634917.db2.gz SSRVATFIEZKYMX-UHFFFAOYSA-N 1 2 389.253 3.278 10 0 GGAELO COC(=O)c1conc1C(C)(C)[NH2+]Cc1ccc(OC)c(Br)c1 ZINC000425369747 566635750 /nfs/dbraw/zinc/63/57/50/566635750.db2.gz AXDBNPWFBHWODB-UHFFFAOYSA-N 1 2 383.242 3.257 10 0 GGAELO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH+]1CC(CC(F)F)C1 ZINC000425367342 566635992 /nfs/dbraw/zinc/63/59/92/566635992.db2.gz SMGAVOINEDDZPV-SNVBAGLBSA-N 1 2 391.256 3.049 10 0 GGAELO CCOc1ccc(S(=O)(=O)Nc2ccc3[nH+]ccn3c2)cc1Br ZINC000675283796 566636816 /nfs/dbraw/zinc/63/68/16/566636816.db2.gz SQAKOBPRCDCQQN-UHFFFAOYSA-N 1 2 396.266 3.296 10 0 GGAELO CN(C)S(=O)(=O)c1ccc(C[NH+]2CCC(OC3CCCCC3)CC2)s1 ZINC000425393028 566636960 /nfs/dbraw/zinc/63/69/60/566636960.db2.gz BWDTYCJNAFRDAQ-UHFFFAOYSA-N 1 2 386.583 3.312 10 0 GGAELO COc1cc2c(cc1C[NH2+][C@@H](C)c1ncc(Br)cn1)O[C@H](C)C2 ZINC000560563097 566637142 /nfs/dbraw/zinc/63/71/42/566637142.db2.gz WGIPAWORWJWIKP-MNOVXSKESA-N 1 2 378.270 3.422 10 0 GGAELO CN(C)S(=O)(=O)c1ccc(C[N@H+](C)CCOc2ccccc2Cl)s1 ZINC000425382423 566637177 /nfs/dbraw/zinc/63/71/77/566637177.db2.gz IOGQSOCOCZHLNW-UHFFFAOYSA-N 1 2 388.942 3.163 10 0 GGAELO CN(C)S(=O)(=O)c1ccc(C[N@@H+](C)CCOc2ccccc2Cl)s1 ZINC000425382423 566637184 /nfs/dbraw/zinc/63/71/84/566637184.db2.gz IOGQSOCOCZHLNW-UHFFFAOYSA-N 1 2 388.942 3.163 10 0 GGAELO CN(C)S(=O)(=O)c1ccc(C[N@H+](C)Cc2ccc(OC(F)F)cc2)s1 ZINC000425387513 566637665 /nfs/dbraw/zinc/63/76/65/566637665.db2.gz 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COC(=O)[C@](C)(O)C[N@H+](Cc1ccco1)Cc1ccc(C)cc1Br ZINC000514965266 566681582 /nfs/dbraw/zinc/68/15/82/566681582.db2.gz FRQNPNGCNQNAGG-GOSISDBHSA-N 1 2 396.281 3.277 10 0 GGAELO COC(=O)[C@](C)(O)C[N@@H+](Cc1ccco1)Cc1ccc(C)cc1Br ZINC000514965266 566681592 /nfs/dbraw/zinc/68/15/92/566681592.db2.gz FRQNPNGCNQNAGG-GOSISDBHSA-N 1 2 396.281 3.277 10 0 GGAELO Cn1cc(Br)cc1C[N@H+](C)CC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000468102187 566683625 /nfs/dbraw/zinc/68/36/25/566683625.db2.gz NNODHLBKVUJUGG-UHFFFAOYSA-N 1 2 394.357 3.304 10 0 GGAELO Cn1cc(Br)cc1C[N@@H+](C)CC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000468102187 566683631 /nfs/dbraw/zinc/68/36/31/566683631.db2.gz NNODHLBKVUJUGG-UHFFFAOYSA-N 1 2 394.357 3.304 10 0 GGAELO COc1cc(Br)ccc1C[NH+]1CCC(Oc2cnccn2)CC1 ZINC000425963907 566684145 /nfs/dbraw/zinc/68/41/45/566684145.db2.gz BWYNPKVXZAXTAY-UHFFFAOYSA-N 1 2 378.270 3.291 10 0 GGAELO COc1ccc(S(=O)(=O)Nc2cnn(-c3cc[nH+]cc3)c2)c(Cl)c1Cl ZINC000607881435 566684784 /nfs/dbraw/zinc/68/47/84/566684784.db2.gz GPYJHYYIVNXPIT-UHFFFAOYSA-N 1 2 399.259 3.384 10 0 GGAELO COc1c(Br)cc(Br)cc1C[N@@H+]1CC[C@H](CO)[C@@H]1C ZINC000425988194 566685789 /nfs/dbraw/zinc/68/57/89/566685789.db2.gz MMYWXLSHAOCZGQ-VHSXEESVSA-N 1 2 393.119 3.423 10 0 GGAELO COc1c(Br)cc(Br)cc1C[N@H+]1CC[C@H](CO)[C@@H]1C ZINC000425988194 566685795 /nfs/dbraw/zinc/68/57/95/566685795.db2.gz MMYWXLSHAOCZGQ-VHSXEESVSA-N 1 2 393.119 3.423 10 0 GGAELO O=C(NCc1ccc(F)cc1Br)c1cc(-n2cc[nH+]c2)ccn1 ZINC000487677348 566687447 /nfs/dbraw/zinc/68/74/47/566687447.db2.gz SGABZSWJSYTZLB-UHFFFAOYSA-N 1 2 375.201 3.099 10 0 GGAELO C[C@H](Cc1cccc(Br)c1)NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000487717802 566688369 /nfs/dbraw/zinc/68/83/69/566688369.db2.gz UUIYYMVXMHFINK-CYBMUJFWSA-N 1 2 385.265 3.391 10 0 GGAELO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)N[C@H]1CCCc2sc(Cl)cc21 ZINC000426047304 566688681 /nfs/dbraw/zinc/68/86/81/566688681.db2.gz ZPSJERZHZULQAN-NFAWXSAZSA-N 1 2 383.945 3.284 10 0 GGAELO C[C@@H](Cc1cccc(Br)c1)NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000487717804 566688736 /nfs/dbraw/zinc/68/87/36/566688736.db2.gz UUIYYMVXMHFINK-ZDUSSCGKSA-N 1 2 385.265 3.391 10 0 GGAELO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)N[C@@H]1CCCc2sc(Cl)cc21 ZINC000426047306 566689545 /nfs/dbraw/zinc/68/95/45/566689545.db2.gz ZPSJERZHZULQAN-VNHYZAJKSA-N 1 2 383.945 3.284 10 0 GGAELO O=C(NCc1[nH+]ccn1CCc1ccccc1)c1ncsc1Br ZINC000561270608 566690236 /nfs/dbraw/zinc/69/02/36/566690236.db2.gz UMWPFCSJZHDLOL-UHFFFAOYSA-N 1 2 391.294 3.275 10 0 GGAELO CC(C)(C)NC(=O)C[N@H+](CCc1ccc(Cl)cc1)C[C@@H](O)C(F)(F)F ZINC000515090387 566690530 /nfs/dbraw/zinc/69/05/30/566690530.db2.gz WWTHPNCPENMIEH-CQSZACIVSA-N 1 2 380.838 3.022 10 0 GGAELO CC(C)(C)NC(=O)C[N@@H+](CCc1ccc(Cl)cc1)C[C@@H](O)C(F)(F)F ZINC000515090387 566690536 /nfs/dbraw/zinc/69/05/36/566690536.db2.gz WWTHPNCPENMIEH-CQSZACIVSA-N 1 2 380.838 3.022 10 0 GGAELO Cn1c(C[NH2+][C@H](CO)c2ccc(Br)cc2)nnc1-c1ccccc1 ZINC000541054685 566691600 /nfs/dbraw/zinc/69/16/00/566691600.db2.gz MZRWXQAMIHVWHW-MRXNPFEDSA-N 1 2 387.281 3.068 10 0 GGAELO Cn1c(C[NH2+][C@@H](CO)c2ccc(Br)cc2)nnc1-c1ccccc1 ZINC000541054684 566691779 /nfs/dbraw/zinc/69/17/79/566691779.db2.gz MZRWXQAMIHVWHW-INIZCTEOSA-N 1 2 387.281 3.068 10 0 GGAELO C[N@@H+]1CCc2nc(NC(=O)c3cccc(F)c3OC(F)(F)F)sc2C1 ZINC000629944071 566695888 /nfs/dbraw/zinc/69/58/88/566695888.db2.gz LFIGGAZYLZNTGE-UHFFFAOYSA-N 1 2 375.347 3.421 10 0 GGAELO C[N@H+]1CCc2nc(NC(=O)c3cccc(F)c3OC(F)(F)F)sc2C1 ZINC000629944071 566695898 /nfs/dbraw/zinc/69/58/98/566695898.db2.gz LFIGGAZYLZNTGE-UHFFFAOYSA-N 1 2 375.347 3.421 10 0 GGAELO Cc1cn2c([nH+]1)C[C@@H](C(=O)Nc1cc(-c3ccc(Br)o3)no1)CC2 ZINC000629973108 566696504 /nfs/dbraw/zinc/69/65/04/566696504.db2.gz LIJKNQJEZUUHQE-JTQLQIEISA-N 1 2 391.225 3.403 10 0 GGAELO O=C1C[N@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)Cc2ccccc2N1 ZINC000653830591 566696710 /nfs/dbraw/zinc/69/67/10/566696710.db2.gz SMMMDQVGYBQESG-CQSZACIVSA-N 1 2 381.259 3.187 10 0 GGAELO O=C1C[N@@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)Cc2ccccc2N1 ZINC000653830591 566696714 /nfs/dbraw/zinc/69/67/14/566696714.db2.gz SMMMDQVGYBQESG-CQSZACIVSA-N 1 2 381.259 3.187 10 0 GGAELO COCc1nc(C[NH2+]Cc2cc(Br)c(OC)c(OC)c2)cs1 ZINC000608055728 566697317 /nfs/dbraw/zinc/69/73/17/566697317.db2.gz ZIVITLWKBAARRV-UHFFFAOYSA-N 1 2 387.299 3.359 10 0 GGAELO Cc1nc([C@H](C)[NH2+]CCS(=O)(=O)c2ccc(Br)cc2)cs1 ZINC000676488513 566698056 /nfs/dbraw/zinc/69/80/56/566698056.db2.gz CMNBSQQLXKNGSJ-JTQLQIEISA-N 1 2 389.340 3.339 10 0 GGAELO O[C@@H](COc1ccccc1)C[N@@H+]1CCOc2cccc(Br)c2C1 ZINC000653837061 566698218 /nfs/dbraw/zinc/69/82/18/566698218.db2.gz MVDPVXFCBMRVAP-CQSZACIVSA-N 1 2 378.266 3.083 10 0 GGAELO O[C@@H](COc1ccccc1)C[N@H+]1CCOc2cccc(Br)c2C1 ZINC000653837061 566698227 /nfs/dbraw/zinc/69/82/27/566698227.db2.gz MVDPVXFCBMRVAP-CQSZACIVSA-N 1 2 378.266 3.083 10 0 GGAELO CS(=O)(=O)c1ccc(C[NH2+]C2(c3cccc(OC(F)(F)F)c3)CC2)o1 ZINC000653847219 566699149 /nfs/dbraw/zinc/69/91/49/566699149.db2.gz VXEMLWPJBRXLPF-UHFFFAOYSA-N 1 2 375.368 3.361 10 0 GGAELO CS(=O)(=O)c1cccc([C@H]([NH2+]Cc2cn[nH]c2)c2ccc(Cl)cc2)c1 ZINC000608068345 566699299 /nfs/dbraw/zinc/69/92/99/566699299.db2.gz WRWTVRBHQHFTGC-GOSISDBHSA-N 1 2 375.881 3.346 10 0 GGAELO Clc1cc(N2CCN(CC[NH+]3CCOCC3)CC2)cc(Cl)c1Cl ZINC000653882494 566700703 /nfs/dbraw/zinc/70/07/03/566700703.db2.gz IZDONMMREUNEQT-UHFFFAOYSA-N 1 2 378.731 3.101 10 0 GGAELO C[C@@H](Cc1ccsc1)[NH+]1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000541200227 566702953 /nfs/dbraw/zinc/70/29/53/566702953.db2.gz FUPUZYJXJPFUJJ-LBPRGKRZSA-N 1 2 390.983 3.401 10 0 GGAELO COc1ccccc1[C@H](C)[NH2+][C@H](C(N)=O)c1ccc(Br)cc1F ZINC000608140736 566706185 /nfs/dbraw/zinc/70/61/85/566706185.db2.gz LSKLWJSMUBLBGX-QFYYESIMSA-N 1 2 381.245 3.474 10 0 GGAELO COc1ccccc1[C@@H](C)[NH2+][C@H](C(N)=O)c1ccc(Br)cc1F ZINC000608140734 566706232 /nfs/dbraw/zinc/70/62/32/566706232.db2.gz LSKLWJSMUBLBGX-HWPZZCPQSA-N 1 2 381.245 3.474 10 0 GGAELO O=c1[nH]ccc2c1C[N@H+](Cc1nc(-c3ccc(Br)cc3)c[nH]1)CC2 ZINC000426374553 566706825 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C[NH+](C)C[C@H](Cc1ccccc1)NS(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000561496315 566710862 /nfs/dbraw/zinc/71/08/62/566710862.db2.gz MWWOGHRYOWQMQG-ZDUSSCGKSA-N 1 2 388.867 3.069 10 0 GGAELO Cc1csc(C(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1Br ZINC000654054131 566711863 /nfs/dbraw/zinc/71/18/63/566711863.db2.gz DWAUKCRAMFSHHL-SDDRHHMPSA-N 1 2 375.332 3.047 10 0 GGAELO Cc1csc(C(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1Br ZINC000654054131 566711869 /nfs/dbraw/zinc/71/18/69/566711869.db2.gz DWAUKCRAMFSHHL-SDDRHHMPSA-N 1 2 375.332 3.047 10 0 GGAELO C[C@H](CNC(=O)c1cc(Cl)ccc1OC(F)F)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654057397 566712351 /nfs/dbraw/zinc/71/23/51/566712351.db2.gz LGEKJTYLGXXKHS-UTUOFQBUSA-N 1 2 376.831 3.169 10 0 GGAELO C[C@H](CNC(=O)c1cc(Cl)ccc1OC(F)F)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654057397 566712358 /nfs/dbraw/zinc/71/23/58/566712358.db2.gz LGEKJTYLGXXKHS-UTUOFQBUSA-N 1 2 376.831 3.169 10 0 GGAELO Cc1csc(C(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1Br ZINC000654054132 566712564 /nfs/dbraw/zinc/71/25/64/566712564.db2.gz DWAUKCRAMFSHHL-UTUOFQBUSA-N 1 2 375.332 3.047 10 0 GGAELO Cc1csc(C(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1Br ZINC000654054132 566712570 /nfs/dbraw/zinc/71/25/70/566712570.db2.gz DWAUKCRAMFSHHL-UTUOFQBUSA-N 1 2 375.332 3.047 10 0 GGAELO COc1ncccc1C[NH+]1CCN(Cc2ccc(Br)cc2)CC1 ZINC000488207068 566713574 /nfs/dbraw/zinc/71/35/74/566713574.db2.gz WYUKRJUGJUXCGP-UHFFFAOYSA-N 1 2 376.298 3.171 10 0 GGAELO COc1cc(OC)c(OC)cc1C[NH2+][C@H](C)c1ncc(Br)cn1 ZINC000580665314 566713767 /nfs/dbraw/zinc/71/37/67/566713767.db2.gz ANKMZACTYBIZAL-SNVBAGLBSA-N 1 2 382.258 3.116 10 0 GGAELO C[C@H](c1ccc(Br)cc1)N1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000488212735 566714057 /nfs/dbraw/zinc/71/40/57/566714057.db2.gz DGRGEHTXHZLWPP-CQSZACIVSA-N 1 2 382.346 3.042 10 0 GGAELO C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)[N@H+](C)CCN1CCCS1(=O)=O ZINC000676890271 566714698 /nfs/dbraw/zinc/71/46/98/566714698.db2.gz HBFKLDJPXZKMLJ-CYBMUJFWSA-N 1 2 383.901 3.023 10 0 GGAELO C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)[N@@H+](C)CCN1CCCS1(=O)=O ZINC000676890271 566714703 /nfs/dbraw/zinc/71/47/03/566714703.db2.gz HBFKLDJPXZKMLJ-CYBMUJFWSA-N 1 2 383.901 3.023 10 0 GGAELO COCC1(CNC(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)CC1 ZINC000654091479 566716648 /nfs/dbraw/zinc/71/66/48/566716648.db2.gz QVHSTAZXOXCOQK-MRXNPFEDSA-N 1 2 381.314 3.129 10 0 GGAELO CO[C@H]1C[N@H+](Cc2c(Br)cncc2Br)CC[C@@H]1C ZINC000580806169 566724491 /nfs/dbraw/zinc/72/44/91/566724491.db2.gz YZVMSSQGTWGGJR-ZANVPECISA-N 1 2 378.108 3.463 10 0 GGAELO CO[C@H]1C[N@@H+](Cc2c(Br)cncc2Br)CC[C@@H]1C ZINC000580806169 566724495 /nfs/dbraw/zinc/72/44/95/566724495.db2.gz YZVMSSQGTWGGJR-ZANVPECISA-N 1 2 378.108 3.463 10 0 GGAELO CO[C@H]1C[N@H+](Cc2c(Br)cncc2Br)CC[C@H]1C ZINC000580806167 566724890 /nfs/dbraw/zinc/72/48/90/566724890.db2.gz YZVMSSQGTWGGJR-RNCFNFMXSA-N 1 2 378.108 3.463 10 0 GGAELO CO[C@H]1C[N@@H+](Cc2c(Br)cncc2Br)CC[C@H]1C ZINC000580806167 566724897 /nfs/dbraw/zinc/72/48/97/566724897.db2.gz YZVMSSQGTWGGJR-RNCFNFMXSA-N 1 2 378.108 3.463 10 0 GGAELO C[NH+](C)[C@@H](CNS(=O)(=O)C[C@H]1CCCC1(F)F)c1ccccc1Cl ZINC000450987052 566731217 /nfs/dbraw/zinc/73/12/17/566731217.db2.gz SYMYADJPRPJYEL-DOMZBBRYSA-N 1 2 380.888 3.298 10 0 GGAELO O=C(NCc1[nH+]ccn1CC(F)(F)F)c1c(F)ccc(Br)c1F ZINC000468831870 566736024 /nfs/dbraw/zinc/73/60/24/566736024.db2.gz DMIJKRZVPIBBLR-UHFFFAOYSA-N 1 2 398.129 3.416 10 0 GGAELO CC[C@H]([NH2+]Cc1cc(=O)n2cc(Br)ccc2n1)c1nccs1 ZINC000541593394 566736052 /nfs/dbraw/zinc/73/60/52/566736052.db2.gz HGTXDMFLLGVXHW-LBPRGKRZSA-N 1 2 379.283 3.154 10 0 GGAELO Cc1nc(CNC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cs1 ZINC000677248727 566736089 /nfs/dbraw/zinc/73/60/89/566736089.db2.gz BWYJUOIUSNCXEW-JKSUJKDBSA-N 1 2 382.892 3.489 10 0 GGAELO Cc1nc(CNC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cs1 ZINC000677248727 566736094 /nfs/dbraw/zinc/73/60/94/566736094.db2.gz BWYJUOIUSNCXEW-JKSUJKDBSA-N 1 2 382.892 3.489 10 0 GGAELO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C[C@H](C)c1ccc(Br)cc1 ZINC000468833825 566736266 /nfs/dbraw/zinc/73/62/66/566736266.db2.gz GHGJQNZRWYPXBR-LSDHHAIUSA-N 1 2 383.330 3.122 10 0 GGAELO C[C@@H](CC(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1)n1cccc1 ZINC000654483962 566736396 /nfs/dbraw/zinc/73/63/96/566736396.db2.gz BSFVNCCUXNPSHZ-ZDUSSCGKSA-N 1 2 393.285 3.072 10 0 GGAELO CCOc1cc(C[N@H+]2CCC[C@H](N3CCCC3=O)C2)cc(Br)c1O ZINC000580937768 566736760 /nfs/dbraw/zinc/73/67/60/566736760.db2.gz ISYNNMNKVIORMR-AWEZNQCLSA-N 1 2 397.313 3.140 10 0 GGAELO Cc1ccn2cc(CNS(=O)(=O)c3cc(Cl)sc3Cl)[nH+]c2c1 ZINC000515923794 566739231 /nfs/dbraw/zinc/73/92/31/566739231.db2.gz FYJGUDOPHDXTJJ-UHFFFAOYSA-N 1 2 376.290 3.490 10 0 GGAELO CCCC[N@H+](CC(=O)NC(=O)NCC(F)(F)F)Cc1ccccc1Cl ZINC000608856388 566739531 /nfs/dbraw/zinc/73/95/31/566739531.db2.gz DNFRCFPKYOJDSK-UHFFFAOYSA-N 1 2 379.810 3.330 10 0 GGAELO CCCC[N@@H+](CC(=O)NC(=O)NCC(F)(F)F)Cc1ccccc1Cl ZINC000608856388 566739538 /nfs/dbraw/zinc/73/95/38/566739538.db2.gz DNFRCFPKYOJDSK-UHFFFAOYSA-N 1 2 379.810 3.330 10 0 GGAELO COc1ccc(C[NH2+][C@@](C)(CO)c2cccc(O)c2)c(Br)c1OC ZINC000451034936 566740387 /nfs/dbraw/zinc/74/03/87/566740387.db2.gz YXCNUMMLJJSOFJ-SFHVURJKSA-N 1 2 396.281 3.169 10 0 GGAELO CCn1cc[nH+]c1[C@@H](C)NC(=O)N1CCOc2cccc(Br)c2C1 ZINC000654583556 566742645 /nfs/dbraw/zinc/74/26/45/566742645.db2.gz PWRLKZANQWURTG-GFCCVEGCSA-N 1 2 393.285 3.331 10 0 GGAELO Cn1c2cc(Br)ccc2nc1C[NH2+][C@](C)(CO)c1cccc(O)c1 ZINC000451043726 566743043 /nfs/dbraw/zinc/74/30/43/566743043.db2.gz ULWQDQKTMNCYCE-GOSISDBHSA-N 1 2 390.281 3.039 10 0 GGAELO CCn1cc[nH+]c1[C@H](C)NC(=O)N1CCOc2cccc(Br)c2C1 ZINC000654583561 566743306 /nfs/dbraw/zinc/74/33/06/566743306.db2.gz PWRLKZANQWURTG-LBPRGKRZSA-N 1 2 393.285 3.331 10 0 GGAELO O=C(Nc1cc(N2CCOCC2)c(Br)c[nH+]1)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000516043695 566744317 /nfs/dbraw/zinc/74/43/17/566744317.db2.gz SEIFTGAXEPVTQU-XQQFMLRXSA-N 1 2 380.286 3.055 10 0 GGAELO CO[C@H](C(=O)N1CCC[C@H](n2cc[nH+]c2)C1)c1ccccc1Br ZINC000654706603 566750090 /nfs/dbraw/zinc/75/00/90/566750090.db2.gz HFSQCFXXQPDUMU-BBRMVZONSA-N 1 2 378.270 3.197 10 0 GGAELO O=C(NCc1ccccc1OCC[NH+]1CCOCC1)c1cscc1Cl ZINC000630841647 566756673 /nfs/dbraw/zinc/75/66/73/566756673.db2.gz CSJUAAIYOCERPI-UHFFFAOYSA-N 1 2 380.897 3.043 10 0 GGAELO O=C([C@@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000630864135 566757838 /nfs/dbraw/zinc/75/78/38/566757838.db2.gz YLEKDAZJSILYJZ-IXDOHACOSA-N 1 2 386.293 3.464 10 0 GGAELO CO[C@@H](C(=O)N1CCC(c2c[nH+]c[nH]2)CC1)c1ccccc1Br ZINC000654873169 566759179 /nfs/dbraw/zinc/75/91/79/566759179.db2.gz APXWQPLTPHGEOX-MRXNPFEDSA-N 1 2 378.270 3.266 10 0 GGAELO CO[C@@H](C(=O)N1CCC(c2c[nH]c[nH+]2)CC1)c1ccccc1Br ZINC000654873169 566759185 /nfs/dbraw/zinc/75/91/85/566759185.db2.gz APXWQPLTPHGEOX-MRXNPFEDSA-N 1 2 378.270 3.266 10 0 GGAELO FC(F)[C@H]1CC[N@H+](Cc2nnnn2-c2ccc(Cl)cc2C(F)(F)F)C1 ZINC000677730235 566761433 /nfs/dbraw/zinc/76/14/33/566761433.db2.gz FRYRQTATTATTMI-QMMMGPOBSA-N 1 2 381.736 3.422 10 0 GGAELO FC(F)[C@H]1CC[N@@H+](Cc2nnnn2-c2ccc(Cl)cc2C(F)(F)F)C1 ZINC000677730235 566761439 /nfs/dbraw/zinc/76/14/39/566761439.db2.gz FRYRQTATTATTMI-QMMMGPOBSA-N 1 2 381.736 3.422 10 0 GGAELO Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)NCC[NH+]1CCSCC1 ZINC000488997294 566761656 /nfs/dbraw/zinc/76/16/56/566761656.db2.gz BSMCVBWGOLDFFX-UHFFFAOYSA-N 1 2 389.468 3.402 10 0 GGAELO CO[C@H](C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccccc1Br ZINC000654893469 566761644 /nfs/dbraw/zinc/76/16/44/566761644.db2.gz FPWAFBLQNSOVAH-COXVUDFISA-N 1 2 392.297 3.443 10 0 GGAELO COc1cc(Br)ccc1[C@H](C)NC(=O)N(C)Cc1[nH+]ccn1C ZINC000469112489 566761880 /nfs/dbraw/zinc/76/18/80/566761880.db2.gz ULABXPDYQXMJOS-NSHDSACASA-N 1 2 381.274 3.094 10 0 GGAELO CO[C@H](C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccccc1Br ZINC000654893470 566762259 /nfs/dbraw/zinc/76/22/59/566762259.db2.gz FPWAFBLQNSOVAH-JQFCIGGWSA-N 1 2 392.297 3.443 10 0 GGAELO CCC[C@@H](C)[C@H](CO)[NH2+]Cc1noc(Cc2ccc(Br)cc2)n1 ZINC000581254657 566762661 /nfs/dbraw/zinc/76/26/61/566762661.db2.gz PCGKRSYZNYXTSH-DOMZBBRYSA-N 1 2 382.302 3.310 10 0 GGAELO O=C([C@@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000630911146 566763009 /nfs/dbraw/zinc/76/30/09/566763009.db2.gz NVERWALASCMZHW-RGXXSHLXSA-N 1 2 386.293 3.464 10 0 GGAELO COc1cnccc1[C@@H](C)[NH2+]Cc1cn(-c2ccccc2Br)nn1 ZINC000562079731 566763911 /nfs/dbraw/zinc/76/39/11/566763911.db2.gz SAZHFPMWNSDLPB-GFCCVEGCSA-N 1 2 388.269 3.284 10 0 GGAELO Cc1ccn2cc(CNC(=O)C(=O)Nc3cccc(Cl)c3Cl)[nH+]c2c1 ZINC000516484528 566764242 /nfs/dbraw/zinc/76/42/42/566764242.db2.gz AQIQEFOEYMMGHQ-UHFFFAOYSA-N 1 2 377.231 3.204 10 0 GGAELO C[N@@H+]1CC[C@@H](NC(=O)c2scc3c2OCCO3)[C@@H]1c1ccc(Cl)cc1 ZINC000654969734 566768585 /nfs/dbraw/zinc/76/85/85/566768585.db2.gz FTUORZIFBDTPHW-HIFRSBDPSA-N 1 2 378.881 3.348 10 0 GGAELO C[N@H+]1CC[C@@H](NC(=O)c2scc3c2OCCO3)[C@@H]1c1ccc(Cl)cc1 ZINC000654969734 566768591 /nfs/dbraw/zinc/76/85/91/566768591.db2.gz FTUORZIFBDTPHW-HIFRSBDPSA-N 1 2 378.881 3.348 10 0 GGAELO C[C@H](Cc1ccc(Br)cc1)NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000489101175 566769486 /nfs/dbraw/zinc/76/94/86/566769486.db2.gz RSKPTHNPCRFUHM-KDOFPFPSSA-N 1 2 395.341 3.140 10 0 GGAELO C[C@H](Cc1ccc(Br)cc1)NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000489101175 566769490 /nfs/dbraw/zinc/76/94/90/566769490.db2.gz RSKPTHNPCRFUHM-KDOFPFPSSA-N 1 2 395.341 3.140 10 0 GGAELO O=C(NCc1[nH+]ccn1CC(F)(F)F)c1cccc(Br)c1F ZINC000469190811 566770084 /nfs/dbraw/zinc/77/00/84/566770084.db2.gz QZRLRFOPUJAMKN-UHFFFAOYSA-N 1 2 380.139 3.277 10 0 GGAELO O=C(Nc1ccccc1I)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609552241 566770475 /nfs/dbraw/zinc/77/04/75/566770475.db2.gz GTZSNYCYDOBOEP-LBPRGKRZSA-N 1 2 396.232 3.357 10 0 GGAELO COc1cc(S(=O)(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)ccc1F ZINC000469214826 566771880 /nfs/dbraw/zinc/77/18/80/566771880.db2.gz QSLVPEKNXAKHQJ-MRXNPFEDSA-N 1 2 386.876 3.069 10 0 GGAELO O=C(C[N@H+]1CCSC[C@H]1c1ccc(Cl)cc1)N1CCOC[C@H]1C1CC1 ZINC000677985693 566773403 /nfs/dbraw/zinc/77/34/03/566773403.db2.gz WKNCPIWSSHKJPO-ROUUACIJSA-N 1 2 380.941 3.067 10 0 GGAELO O=C(C[N@@H+]1CCSC[C@H]1c1ccc(Cl)cc1)N1CCOC[C@H]1C1CC1 ZINC000677985693 566773409 /nfs/dbraw/zinc/77/34/09/566773409.db2.gz WKNCPIWSSHKJPO-ROUUACIJSA-N 1 2 380.941 3.067 10 0 GGAELO O=C(C[N@H+]1CCC[C@H]1c1cccc(Br)c1)N1CCOC[C@@H]1C1CC1 ZINC000677981172 566774248 /nfs/dbraw/zinc/77/42/48/566774248.db2.gz WLLMTAOISHUTRW-ZWKOTPCHSA-N 1 2 393.325 3.223 10 0 GGAELO O=C(C[N@@H+]1CCC[C@H]1c1cccc(Br)c1)N1CCOC[C@@H]1C1CC1 ZINC000677981172 566774251 /nfs/dbraw/zinc/77/42/51/566774251.db2.gz WLLMTAOISHUTRW-ZWKOTPCHSA-N 1 2 393.325 3.223 10 0 GGAELO C[C@H]([NH2+]Cc1ncc(Br)cc1Cl)C(=O)NCc1ccccc1 ZINC000631051209 566774296 /nfs/dbraw/zinc/77/42/96/566774296.db2.gz QNGCNFJGHWECBS-NSHDSACASA-N 1 2 382.689 3.292 10 0 GGAELO COc1ccccc1C[N@H+](CCO)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000489192120 566775371 /nfs/dbraw/zinc/77/53/71/566775371.db2.gz AXJXXXYAHPWKCW-UHFFFAOYSA-N 1 2 383.275 3.435 10 0 GGAELO COc1ccccc1C[N@@H+](CCO)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000489192120 566775377 /nfs/dbraw/zinc/77/53/77/566775377.db2.gz AXJXXXYAHPWKCW-UHFFFAOYSA-N 1 2 383.275 3.435 10 0 GGAELO CCc1nc(C[N@@H+]2CC[C@@H](Cc3cccc(I)c3)C2)no1 ZINC000451197398 566775623 /nfs/dbraw/zinc/77/56/23/566775623.db2.gz YPTJZDQIZMMIDB-ZDUSSCGKSA-N 1 2 397.260 3.301 10 0 GGAELO CCc1nc(C[N@H+]2CC[C@@H](Cc3cccc(I)c3)C2)no1 ZINC000451197398 566775632 /nfs/dbraw/zinc/77/56/32/566775632.db2.gz YPTJZDQIZMMIDB-ZDUSSCGKSA-N 1 2 397.260 3.301 10 0 GGAELO O=C(Nc1ccc2[nH+]ccn2c1)c1ccc(F)cc1I ZINC000609619417 566776919 /nfs/dbraw/zinc/77/69/19/566776919.db2.gz NDFJUCVQWLQRKR-UHFFFAOYSA-N 1 2 381.148 3.330 10 0 GGAELO C[C@H]([NH2+]Cc1c(F)cccc1Br)c1cccc(S(N)(=O)=O)c1 ZINC000542134110 566777455 /nfs/dbraw/zinc/77/74/55/566777455.db2.gz MWCNBRQNFCYOEE-JTQLQIEISA-N 1 2 387.274 3.086 10 0 GGAELO CCOC(=O)C1([S@@](C)=O)CC[NH+]([C@H](C)c2cccc(Cl)c2F)CC1 ZINC000451212497 566778586 /nfs/dbraw/zinc/77/85/86/566778586.db2.gz ZKWFEUBIYZGXPD-OIRASMEMSA-N 1 2 375.893 3.316 10 0 GGAELO CCOC(=O)C1([S@](C)=O)CC[NH+]([C@@H](C)c2cccc(Cl)c2F)CC1 ZINC000451212496 566778737 /nfs/dbraw/zinc/77/87/37/566778737.db2.gz ZKWFEUBIYZGXPD-MCFWBGNESA-N 1 2 375.893 3.316 10 0 GGAELO OC1CCN(c2[nH+]cccc2NCc2ncc(Br)cc2Cl)CC1 ZINC000631107298 566780024 /nfs/dbraw/zinc/78/00/24/566780024.db2.gz VHPHGSKYTFUOAN-UHFFFAOYSA-N 1 2 397.704 3.466 10 0 GGAELO Cn1c[nH+]c(CCNC(=O)N2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)c1 ZINC000581474154 566781789 /nfs/dbraw/zinc/78/17/89/566781789.db2.gz XTMKVDFHTQETFX-AWEZNQCLSA-N 1 2 383.279 3.132 10 0 GGAELO Cn1c[nH+]c(CCNC(=O)N2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)c1 ZINC000581474155 566782238 /nfs/dbraw/zinc/78/22/38/566782238.db2.gz XTMKVDFHTQETFX-CQSZACIVSA-N 1 2 383.279 3.132 10 0 GGAELO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(Br)cc1)c1cscn1 ZINC000678115224 566782773 /nfs/dbraw/zinc/78/27/73/566782773.db2.gz VPKJOOVQLXZKOU-SNVBAGLBSA-N 1 2 375.313 3.030 10 0 GGAELO Cc1cc(C(=O)C[N@H+](CCO)Cc2cc(Br)cs2)c(C)n1C ZINC000562338835 566783579 /nfs/dbraw/zinc/78/35/79/566783579.db2.gz UJDPVMRNISIMCV-UHFFFAOYSA-N 1 2 385.327 3.143 10 0 GGAELO CC[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1noc(Cc2ccc(Br)cc2)n1 ZINC000451255184 566783589 /nfs/dbraw/zinc/78/35/89/566783589.db2.gz MSBGKZLBFFIOHG-UKRRQHHQSA-N 1 2 380.286 3.016 10 0 GGAELO CC[C@@H]1[C@@H](CO)CC[N@H+]1Cc1noc(Cc2ccc(Br)cc2)n1 ZINC000451255184 566783593 /nfs/dbraw/zinc/78/35/93/566783593.db2.gz MSBGKZLBFFIOHG-UKRRQHHQSA-N 1 2 380.286 3.016 10 0 GGAELO Cc1cc(C(=O)C[N@@H+](CCO)Cc2cc(Br)cs2)c(C)n1C ZINC000562338835 566783586 /nfs/dbraw/zinc/78/35/86/566783586.db2.gz UJDPVMRNISIMCV-UHFFFAOYSA-N 1 2 385.327 3.143 10 0 GGAELO CC(C)(C)CC(=O)N1CCN(Cc2c[nH+]c3ccc(Br)cn23)CC1 ZINC000678136767 566784042 /nfs/dbraw/zinc/78/40/42/566784042.db2.gz FGTCCBJIAQDHLJ-UHFFFAOYSA-N 1 2 393.329 3.177 10 0 GGAELO Cc1ncccc1NC(=O)[C@H](C)[NH2+]Cc1ncc(Br)cc1Cl ZINC000631155188 566786606 /nfs/dbraw/zinc/78/66/06/566786606.db2.gz LLDCQKHACFIBRL-JTQLQIEISA-N 1 2 383.677 3.318 10 0 GGAELO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1CC[S@@](=O)c1cc(Cl)ccc1Cl ZINC000609799623 566787328 /nfs/dbraw/zinc/78/73/28/566787328.db2.gz XMNCXEYDAJSINS-IZHWHUGBSA-N 1 2 391.364 3.434 10 0 GGAELO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1CC[S@@](=O)c1cc(Cl)ccc1Cl ZINC000609799623 566787335 /nfs/dbraw/zinc/78/73/35/566787335.db2.gz XMNCXEYDAJSINS-IZHWHUGBSA-N 1 2 391.364 3.434 10 0 GGAELO Clc1cc(Br)cc(C[NH2+]Cc2cn(C[C@@H]3CCOC3)nn2)c1 ZINC000631163150 566787505 /nfs/dbraw/zinc/78/75/05/566787505.db2.gz KEWCSZWNVFXIRS-NSHDSACASA-N 1 2 385.693 3.020 10 0 GGAELO COCC[N@H+](CCCS(=O)(=O)c1cccc(C)c1)Cc1scnc1C ZINC000489430833 566788591 /nfs/dbraw/zinc/78/85/91/566788591.db2.gz GYNXTODJVZAIPG-UHFFFAOYSA-N 1 2 382.551 3.072 10 0 GGAELO COCC[N@@H+](CCCS(=O)(=O)c1cccc(C)c1)Cc1scnc1C ZINC000489430833 566788598 /nfs/dbraw/zinc/78/85/98/566788598.db2.gz GYNXTODJVZAIPG-UHFFFAOYSA-N 1 2 382.551 3.072 10 0 GGAELO CS(=O)(=O)c1csc(C(=O)N(CC[NH+]2CCCCCC2)C2CCC2)c1 ZINC000581568819 566790317 /nfs/dbraw/zinc/79/03/17/566790317.db2.gz ZXXNKYRIBMLDJB-UHFFFAOYSA-N 1 2 384.567 3.022 10 0 GGAELO COCC[N@H+](CC(=O)N[C@@H](C)c1ccc(Cl)cc1)Cc1scnc1C ZINC000489466105 566790429 /nfs/dbraw/zinc/79/04/29/566790429.db2.gz PNWVZJVHXBCODO-ZDUSSCGKSA-N 1 2 381.929 3.431 10 0 GGAELO COCC[N@@H+](CC(=O)N[C@@H](C)c1ccc(Cl)cc1)Cc1scnc1C ZINC000489466105 566790438 /nfs/dbraw/zinc/79/04/38/566790438.db2.gz PNWVZJVHXBCODO-ZDUSSCGKSA-N 1 2 381.929 3.431 10 0 GGAELO Cc1ccc(CC(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)s1 ZINC000581651432 566795706 /nfs/dbraw/zinc/79/57/06/566795706.db2.gz STJBLLBXAAXGOJ-UHFFFAOYSA-N 1 2 396.310 3.232 10 0 GGAELO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1n[nH]c2ccc(Br)cc21 ZINC000655349304 566797079 /nfs/dbraw/zinc/79/70/79/566797079.db2.gz FRABAWRHCVWOKJ-LSDHHAIUSA-N 1 2 377.286 3.072 10 0 GGAELO O=C(N[C@H]1CCC[N@H+]2CCCC[C@H]12)c1n[nH]c2ccc(Br)cc21 ZINC000655349304 566797080 /nfs/dbraw/zinc/79/70/80/566797080.db2.gz FRABAWRHCVWOKJ-LSDHHAIUSA-N 1 2 377.286 3.072 10 0 GGAELO C[N@@H+]1CC[C@@H](NS(=O)(=O)CC2CC(F)(F)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000451335357 566799150 /nfs/dbraw/zinc/79/91/50/566799150.db2.gz DBVIHLHEUVJMFE-CABCVRRESA-N 1 2 396.862 3.189 10 0 GGAELO C[N@H+]1CC[C@@H](NS(=O)(=O)CC2CC(F)(F)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000451335357 566799155 /nfs/dbraw/zinc/79/91/55/566799155.db2.gz DBVIHLHEUVJMFE-CABCVRRESA-N 1 2 396.862 3.189 10 0 GGAELO CCc1ccc(C[NH+]2CCN(C(=O)CSC[C@H]3CCCCO3)CC2)s1 ZINC000609995167 566799408 /nfs/dbraw/zinc/79/94/08/566799408.db2.gz JCRNQTRIKCZYOZ-MRXNPFEDSA-N 1 2 382.595 3.257 10 0 GGAELO C[N@@H+]1CC[C@H](NS(=O)(=O)CC2CC(F)(F)C2)[C@H]1c1ccc(Cl)cc1 ZINC000451352564 566802335 /nfs/dbraw/zinc/80/23/35/566802335.db2.gz HVQRTTJNDOZEOG-LSDHHAIUSA-N 1 2 378.872 3.050 10 0 GGAELO C[N@H+]1CC[C@H](NS(=O)(=O)CC2CC(F)(F)C2)[C@H]1c1ccc(Cl)cc1 ZINC000451352564 566802342 /nfs/dbraw/zinc/80/23/42/566802342.db2.gz HVQRTTJNDOZEOG-LSDHHAIUSA-N 1 2 378.872 3.050 10 0 GGAELO C[N@@H+]1CC[C@@H](NS(=O)(=O)CC2CC(F)(F)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000451352560 566802402 /nfs/dbraw/zinc/80/24/02/566802402.db2.gz HVQRTTJNDOZEOG-CABCVRRESA-N 1 2 378.872 3.050 10 0 GGAELO C[N@H+]1CC[C@@H](NS(=O)(=O)CC2CC(F)(F)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000451352560 566802407 /nfs/dbraw/zinc/80/24/07/566802407.db2.gz HVQRTTJNDOZEOG-CABCVRRESA-N 1 2 378.872 3.050 10 0 GGAELO Cc1c(Br)cccc1CS(=O)(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000655500011 566805275 /nfs/dbraw/zinc/80/52/75/566805275.db2.gz JSUAAWBSYHIWRS-OAHLLOKOSA-N 1 2 398.326 3.121 10 0 GGAELO OCCC1(CCO)CCN(c2[nH+]ccc3cc(Br)ccc32)CC1 ZINC000631475385 566806339 /nfs/dbraw/zinc/80/63/39/566806339.db2.gz RNKBZNPFNVHUTO-UHFFFAOYSA-N 1 2 379.298 3.349 10 0 GGAELO OCCC1(CCO)CCN(c2cc[nH+]c3c(Br)cccc23)CC1 ZINC000631474004 566806793 /nfs/dbraw/zinc/80/67/93/566806793.db2.gz DCWCXIDMNHGJIK-UHFFFAOYSA-N 1 2 379.298 3.349 10 0 GGAELO COCCN1CCC[N@@H+]([C@@H]2CCCc3ccc(Br)cc32)CC1=O ZINC000469703017 566808153 /nfs/dbraw/zinc/80/81/53/566808153.db2.gz LYZGBMVVHBOYPB-QGZVFWFLSA-N 1 2 381.314 3.007 10 0 GGAELO COCCN1CCC[N@H+]([C@@H]2CCCc3ccc(Br)cc32)CC1=O ZINC000469703017 566808158 /nfs/dbraw/zinc/80/81/58/566808158.db2.gz LYZGBMVVHBOYPB-QGZVFWFLSA-N 1 2 381.314 3.007 10 0 GGAELO O=S(=O)(C[C@@H]1CCCC1(F)F)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000451389245 566809861 /nfs/dbraw/zinc/80/98/61/566809861.db2.gz RADDLPILAHUTES-INIZCTEOSA-N 1 2 375.485 3.141 10 0 GGAELO CNC(=O)CCOC1CC[NH+](Cc2ccc(Br)c(Cl)c2)CC1 ZINC000469730248 566809768 /nfs/dbraw/zinc/80/97/68/566809768.db2.gz WKCSOAMBDRFISD-UHFFFAOYSA-N 1 2 389.721 3.220 10 0 GGAELO O=C(CCC(=O)c1ccc(Cl)cn1)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000469715600 566809848 /nfs/dbraw/zinc/80/98/48/566809848.db2.gz OPGRCKOLXJYWQC-UHFFFAOYSA-N 1 2 377.231 3.315 10 0 GGAELO COc1ccc(-c2nc([C@@H]([NH3+])CC(C)C)no2)c(I)c1 ZINC000581883912 566811759 /nfs/dbraw/zinc/81/17/59/566811759.db2.gz ISCYTGZXIRVRKJ-LBPRGKRZSA-N 1 2 387.221 3.396 10 0 GGAELO COc1ccc([C@@H](C)NC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1Br ZINC000581873715 566812170 /nfs/dbraw/zinc/81/21/70/566812170.db2.gz YLDZJFJTFMPBJM-BNOWGMLFSA-N 1 2 382.302 3.055 10 0 GGAELO CN(Cc1ccc(Cl)cc1Cl)C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000678669371 566812661 /nfs/dbraw/zinc/81/26/61/566812661.db2.gz QZJRFPMREHVLOO-UHFFFAOYSA-N 1 2 377.231 3.238 10 0 GGAELO OC1([C@@H]2CCCC[N@@H+]2Cc2noc(Cc3ccc(Br)cc3)n2)CC1 ZINC000562683907 566813672 /nfs/dbraw/zinc/81/36/72/566813672.db2.gz KYQVHIHWCZVCPF-HNNXBMFYSA-N 1 2 392.297 3.302 10 0 GGAELO OC1([C@@H]2CCCC[N@H+]2Cc2noc(Cc3ccc(Br)cc3)n2)CC1 ZINC000562683907 566813679 /nfs/dbraw/zinc/81/36/79/566813679.db2.gz KYQVHIHWCZVCPF-HNNXBMFYSA-N 1 2 392.297 3.302 10 0 GGAELO O=C(c1ccc2cncc(Br)c2n1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000631672555 566814827 /nfs/dbraw/zinc/81/48/27/566814827.db2.gz BNDAHZMOGNSJNJ-UHFFFAOYSA-N 1 2 386.253 3.135 10 0 GGAELO O=C(c1ccc2cncc(Br)c2n1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000631672555 566814832 /nfs/dbraw/zinc/81/48/32/566814832.db2.gz BNDAHZMOGNSJNJ-UHFFFAOYSA-N 1 2 386.253 3.135 10 0 GGAELO C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@@H+]1CC[C@@](O)(C(F)F)C1 ZINC000451416061 566816180 /nfs/dbraw/zinc/81/61/80/566816180.db2.gz AETCIXPGZYEHFG-CLAHSXSESA-N 1 2 386.748 3.388 10 0 GGAELO C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@H+]1CC[C@@](O)(C(F)F)C1 ZINC000451416061 566816184 /nfs/dbraw/zinc/81/61/84/566816184.db2.gz AETCIXPGZYEHFG-CLAHSXSESA-N 1 2 386.748 3.388 10 0 GGAELO C[C@@H]([NH2+]Cc1nnc(C2CCOCC2)[nH]1)c1ccc(Br)c(F)c1 ZINC000631691821 566816738 /nfs/dbraw/zinc/81/67/38/566816738.db2.gz BSTOEHICMQFWEQ-SNVBAGLBSA-N 1 2 383.265 3.451 10 0 GGAELO O=S(=O)(C[C@H]1CCCC1(F)F)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000451447729 566819322 /nfs/dbraw/zinc/81/93/22/566819322.db2.gz RWFLIPMRVCZCLA-CQSZACIVSA-N 1 2 392.899 3.053 10 0 GGAELO O=S(=O)(C[C@H]1CCCC1(F)F)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000451447729 566819325 /nfs/dbraw/zinc/81/93/25/566819325.db2.gz RWFLIPMRVCZCLA-CQSZACIVSA-N 1 2 392.899 3.053 10 0 GGAELO O=S(=O)(C[C@@H]1CCCC(F)(F)C1)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000631720874 566819848 /nfs/dbraw/zinc/81/98/48/566819848.db2.gz VTEXLQMNGKGATE-LLVKDONJSA-N 1 2 377.844 3.233 10 0 GGAELO Cc1nnsc1CNC(=O)N1CC[NH+]([C@H](C)c2ccccc2Cl)CC1 ZINC000581979572 566820039 /nfs/dbraw/zinc/82/00/39/566820039.db2.gz IJAGTQGQLBPVPR-CYBMUJFWSA-N 1 2 379.917 3.088 10 0 GGAELO Cc1nnsc1CNC(=O)N1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000581979573 566820367 /nfs/dbraw/zinc/82/03/67/566820367.db2.gz IJAGTQGQLBPVPR-ZDUSSCGKSA-N 1 2 379.917 3.088 10 0 GGAELO O=S(=O)(C[C@H]1CCCC(F)(F)C1)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000631720875 566820568 /nfs/dbraw/zinc/82/05/68/566820568.db2.gz VTEXLQMNGKGATE-NSHDSACASA-N 1 2 377.844 3.233 10 0 GGAELO Cc1nnc(CN2CC[NH+](CCSc3cc(Cl)ccc3Cl)CC2)[nH]1 ZINC000678888521 566824311 /nfs/dbraw/zinc/82/43/11/566824311.db2.gz KGNUDWMTITZUHK-UHFFFAOYSA-N 1 2 386.352 3.330 10 0 GGAELO C[C@@H]([NH2+][C@H]1CCCn2nccc21)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000631810558 566829007 /nfs/dbraw/zinc/82/90/07/566829007.db2.gz VRTNORGLSMMOJQ-RNCFNFMXSA-N 1 2 389.308 3.023 10 0 GGAELO O=C(NCc1ccn2cc[nH+]c2c1)[C@@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21 ZINC000631821812 566829084 /nfs/dbraw/zinc/82/90/84/566829084.db2.gz JWCHPOLISBQXSB-BPQIPLTHSA-N 1 2 382.261 3.299 10 0 GGAELO COCC[N@H+](Cc1ncc(-c2ccc(Br)cc2)o1)[C@@H]1CCOC1 ZINC000490093872 566831036 /nfs/dbraw/zinc/83/10/36/566831036.db2.gz JYZJELDCFCMQDD-OAHLLOKOSA-N 1 2 381.270 3.341 10 0 GGAELO COCC[N@@H+](Cc1ncc(-c2ccc(Br)cc2)o1)[C@@H]1CCOC1 ZINC000490093872 566831038 /nfs/dbraw/zinc/83/10/38/566831038.db2.gz JYZJELDCFCMQDD-OAHLLOKOSA-N 1 2 381.270 3.341 10 0 GGAELO CC(C)C[C@@H]([NH2+]Cc1nccn1S(=O)(=O)N(C)C)c1ccc(Cl)cc1 ZINC000562913276 566833692 /nfs/dbraw/zinc/83/36/92/566833692.db2.gz IVYUGIYDEOAIIS-MRXNPFEDSA-N 1 2 384.933 3.068 10 0 GGAELO CC1(C2(NC(=O)Nc3cc(N4CCOCC4)c(Br)c[nH+]3)CC2)CC1 ZINC000562926070 566835190 /nfs/dbraw/zinc/83/51/90/566835190.db2.gz BPDBFCQPAUDSHL-UHFFFAOYSA-N 1 2 395.301 3.135 10 0 GGAELO CN(c1nc(C[NH2+][C@@H](CO)c2ccc(Br)cc2)cs1)C1CC1 ZINC000542910107 566837847 /nfs/dbraw/zinc/83/78/47/566837847.db2.gz CZFCEAVHKBTMNO-HNNXBMFYSA-N 1 2 382.327 3.327 10 0 GGAELO CSC[C@@H]1CCCN(C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)C1 ZINC000490233189 566839192 /nfs/dbraw/zinc/83/91/92/566839192.db2.gz BCGCATNHKLSATF-OAHLLOKOSA-N 1 2 381.973 3.483 10 0 GGAELO CSC[C@@H]1CCCN(C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)C1 ZINC000490233189 566839194 /nfs/dbraw/zinc/83/91/94/566839194.db2.gz BCGCATNHKLSATF-OAHLLOKOSA-N 1 2 381.973 3.483 10 0 GGAELO Cc1cc(NC(=O)C[NH2+]Cc2cc3n(n2)CCCC3)ccc1Br ZINC000655735585 566841168 /nfs/dbraw/zinc/84/11/68/566841168.db2.gz VWZGLWWHJKMFKQ-UHFFFAOYSA-N 1 2 377.286 3.019 10 0 GGAELO CNC(=O)Cc1nc(C[N@@H+]2CC[C@@H](c3cccc(Br)c3)C2)cs1 ZINC000451571467 566841609 /nfs/dbraw/zinc/84/16/09/566841609.db2.gz RIVXGWHHRGWWND-CYBMUJFWSA-N 1 2 394.338 3.184 10 0 GGAELO CNC(=O)Cc1nc(C[N@H+]2CC[C@@H](c3cccc(Br)c3)C2)cs1 ZINC000451571467 566841615 /nfs/dbraw/zinc/84/16/15/566841615.db2.gz RIVXGWHHRGWWND-CYBMUJFWSA-N 1 2 394.338 3.184 10 0 GGAELO Cn1c[nH+]c(CCNC(=O)N2CCc3c(Br)ccc(Cl)c3C2)c1 ZINC000517704291 566842300 /nfs/dbraw/zinc/84/23/00/566842300.db2.gz VOVFGLHUWOWNOK-UHFFFAOYSA-N 1 2 397.704 3.146 10 0 GGAELO O=C1[C@H]([NH2+]Cc2cc3n(n2)CCCC3)CCN1c1ccc(Cl)c(Cl)c1 ZINC000655756697 566845069 /nfs/dbraw/zinc/84/50/69/566845069.db2.gz WIGQOBLMVHPPGA-QGZVFWFLSA-N 1 2 379.291 3.421 10 0 GGAELO O=C(NCCCc1cccc(Br)c1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000679305011 566846606 /nfs/dbraw/zinc/84/66/06/566846606.db2.gz KUTQGRMIMOLOAU-UHFFFAOYSA-N 1 2 385.265 3.392 10 0 GGAELO OC1(C(F)F)CC[NH+](Cc2cn(-c3ccc(Cl)cc3Cl)nn2)CC1 ZINC000428472370 566847674 /nfs/dbraw/zinc/84/76/74/566847674.db2.gz HYVRPGBDZQHFED-UHFFFAOYSA-N 1 2 377.222 3.166 10 0 GGAELO C[C@@H](Cc1ccsc1)[NH+]1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000543057336 566848085 /nfs/dbraw/zinc/84/80/85/566848085.db2.gz BBYJUQLMCLVBLH-AWEZNQCLSA-N 1 2 384.954 3.339 10 0 GGAELO Brc1ccc2c(c1)[C@@H]([NH2+]Cc1nc([C@@H]3CCCO3)n[nH]1)CCCO2 ZINC000655797074 566849209 /nfs/dbraw/zinc/84/92/09/566849209.db2.gz KWSAEYZVGINMEU-ZFWWWQNUSA-N 1 2 393.285 3.422 10 0 GGAELO COc1cc(C)[nH+]c(CNc2cnc(N3CCOCC3)c(Br)c2)c1 ZINC000543067030 566849219 /nfs/dbraw/zinc/84/92/19/566849219.db2.gz MCGZZSULTLDAQQ-UHFFFAOYSA-N 1 2 393.285 3.005 10 0 GGAELO Fc1ccc2c(c1Br)CC[C@@H]2[NH2+]Cc1nc([C@H]2CCCO2)n[nH]1 ZINC000655795821 566849255 /nfs/dbraw/zinc/84/92/55/566849255.db2.gz CRKQCHNZEZYBHJ-QWHCGFSZSA-N 1 2 381.249 3.335 10 0 GGAELO C[C@H]1C[N@H+](Cc2cnc(-c3ccc(Br)cc3)s2)C[C@@H](CO)O1 ZINC000470147135 566849581 /nfs/dbraw/zinc/84/95/81/566849581.db2.gz NKANSEXZGHRFNK-FZMZJTMJSA-N 1 2 383.311 3.154 10 0 GGAELO C[C@H]1C[N@@H+](Cc2cnc(-c3ccc(Br)cc3)s2)C[C@@H](CO)O1 ZINC000470147135 566849585 /nfs/dbraw/zinc/84/95/85/566849585.db2.gz NKANSEXZGHRFNK-FZMZJTMJSA-N 1 2 383.311 3.154 10 0 GGAELO C[C@@H](Cc1ccc(Br)cc1F)[NH2+]Cc1nnc([C@H]2CCCO2)[nH]1 ZINC000655795854 566849986 /nfs/dbraw/zinc/84/99/86/566849986.db2.gz DFKMMHIYCCAAQR-IINYFYTJSA-N 1 2 383.265 3.279 10 0 GGAELO Brc1ccc2c(c1)[C@H]([NH2+]Cc1nc([C@H]3CCCO3)n[nH]1)CCCO2 ZINC000655797073 566850085 /nfs/dbraw/zinc/85/00/85/566850085.db2.gz KWSAEYZVGINMEU-UKRRQHHQSA-N 1 2 393.285 3.422 10 0 GGAELO COc1cc(Br)c(C[N@@H+]2CC[C@@H](C(=O)OC(C)(C)C)C2)cc1O ZINC000490439559 566850589 /nfs/dbraw/zinc/85/05/89/566850589.db2.gz XONGXWPPIIIBHW-LLVKDONJSA-N 1 2 386.286 3.327 10 0 GGAELO COc1cc(Br)c(C[N@H+]2CC[C@@H](C(=O)OC(C)(C)C)C2)cc1O ZINC000490439559 566850594 /nfs/dbraw/zinc/85/05/94/566850594.db2.gz XONGXWPPIIIBHW-LLVKDONJSA-N 1 2 386.286 3.327 10 0 GGAELO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@@H+]1CCO[C@@]2(CCSC2)C1 ZINC000563070526 566850994 /nfs/dbraw/zinc/85/09/94/566850994.db2.gz BBCBISWZNNTEFJ-KRWDZBQOSA-N 1 2 389.348 3.160 10 0 GGAELO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@H+]1CCO[C@@]2(CCSC2)C1 ZINC000563070526 566851000 /nfs/dbraw/zinc/85/10/00/566851000.db2.gz BBCBISWZNNTEFJ-KRWDZBQOSA-N 1 2 389.348 3.160 10 0 GGAELO Cn1c[nH+]c(CCNC(=O)N2CCC[C@H]2c2ccc(Br)s2)c1 ZINC000563074325 566852178 /nfs/dbraw/zinc/85/21/78/566852178.db2.gz MOBNVLOZDOBYNK-LBPRGKRZSA-N 1 2 383.315 3.333 10 0 GGAELO Cn1c[nH+]c(CCNC(=O)N2CCC[C@@H]2c2ccc(Br)s2)c1 ZINC000563074323 566852457 /nfs/dbraw/zinc/85/24/57/566852457.db2.gz MOBNVLOZDOBYNK-GFCCVEGCSA-N 1 2 383.315 3.333 10 0 GGAELO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)c1n[nH]c2ccc(Br)cc21 ZINC000470165800 566852847 /nfs/dbraw/zinc/85/28/47/566852847.db2.gz OQFQLCZJXGZAES-CYBMUJFWSA-N 1 2 377.286 3.072 10 0 GGAELO O=C(NC[C@H]1CCCC[N@H+]1C1CC1)c1n[nH]c2ccc(Br)cc21 ZINC000470165800 566852853 /nfs/dbraw/zinc/85/28/53/566852853.db2.gz OQFQLCZJXGZAES-CYBMUJFWSA-N 1 2 377.286 3.072 10 0 GGAELO C[N@@H+]1CC[C@@H](NS(=O)(=O)CCC(C)(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000632142451 566854620 /nfs/dbraw/zinc/85/46/20/566854620.db2.gz GDOYAKPNBSUIAC-ZIAGYGMSSA-N 1 2 384.851 3.189 10 0 GGAELO C[N@H+]1CC[C@@H](NS(=O)(=O)CCC(C)(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000632142451 566854625 /nfs/dbraw/zinc/85/46/25/566854625.db2.gz GDOYAKPNBSUIAC-ZIAGYGMSSA-N 1 2 384.851 3.189 10 0 GGAELO C[N@@H+]1CC[C@H](NS(=O)(=O)CCC(C)(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000632142447 566854767 /nfs/dbraw/zinc/85/47/67/566854767.db2.gz GDOYAKPNBSUIAC-KBPBESRZSA-N 1 2 384.851 3.189 10 0 GGAELO C[N@H+]1CC[C@H](NS(=O)(=O)CCC(C)(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000632142447 566854770 /nfs/dbraw/zinc/85/47/70/566854770.db2.gz GDOYAKPNBSUIAC-KBPBESRZSA-N 1 2 384.851 3.189 10 0 GGAELO O[C@@H](C[NH2+]Cc1nccc(C(F)F)n1)COc1ccc(Cl)cc1Cl ZINC000517925016 566855070 /nfs/dbraw/zinc/85/50/70/566855070.db2.gz GZUYGNWKZLTQOC-JTQLQIEISA-N 1 2 378.206 3.251 10 0 GGAELO CC(C)OCC[NH+]1CCN(C(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)CC1 ZINC000470212356 566855983 /nfs/dbraw/zinc/85/59/83/566855983.db2.gz UGMRGIJJWAXEKF-AWEZNQCLSA-N 1 2 389.323 3.330 10 0 GGAELO OCC[C@@H]1CSCC[N@@H+]1Cc1ncc(-c2ccccc2Br)o1 ZINC000470197182 566856249 /nfs/dbraw/zinc/85/62/49/566856249.db2.gz YLCMEIXCIFEQMF-GFCCVEGCSA-N 1 2 383.311 3.404 10 0 GGAELO OCC[C@@H]1CSCC[N@H+]1Cc1ncc(-c2ccccc2Br)o1 ZINC000470197182 566856256 /nfs/dbraw/zinc/85/62/56/566856256.db2.gz YLCMEIXCIFEQMF-GFCCVEGCSA-N 1 2 383.311 3.404 10 0 GGAELO COc1ccc(-c2nc(C[N@@H+]3CCSC[C@H]3CCO)cs2)cc1OC ZINC000470209369 566856333 /nfs/dbraw/zinc/85/63/33/566856333.db2.gz ZQBISOSQHRHFAO-OAHLLOKOSA-N 1 2 380.535 3.127 10 0 GGAELO COc1ccc(-c2nc(C[N@H+]3CCSC[C@H]3CCO)cs2)cc1OC ZINC000470209369 566856338 /nfs/dbraw/zinc/85/63/38/566856338.db2.gz ZQBISOSQHRHFAO-OAHLLOKOSA-N 1 2 380.535 3.127 10 0 GGAELO COc1ccc(-c2nc(C[N@@H+]3CCSC[C@@H]3CCO)cs2)c(OC)c1 ZINC000470211504 566856778 /nfs/dbraw/zinc/85/67/78/566856778.db2.gz IRUXLBLRUAZVNT-AWEZNQCLSA-N 1 2 380.535 3.127 10 0 GGAELO COc1ccc(-c2nc(C[N@H+]3CCSC[C@@H]3CCO)cs2)c(OC)c1 ZINC000470211504 566856787 /nfs/dbraw/zinc/85/67/87/566856787.db2.gz IRUXLBLRUAZVNT-AWEZNQCLSA-N 1 2 380.535 3.127 10 0 GGAELO OCC[C@H]1CSCC[N@@H+]1Cc1coc(-c2ccc(Br)cc2)n1 ZINC000470189739 566856830 /nfs/dbraw/zinc/85/68/30/566856830.db2.gz HIVXJKGUCXMYJF-HNNXBMFYSA-N 1 2 383.311 3.404 10 0 GGAELO OCC[C@H]1CSCC[N@H+]1Cc1coc(-c2ccc(Br)cc2)n1 ZINC000470189739 566856837 /nfs/dbraw/zinc/85/68/37/566856837.db2.gz HIVXJKGUCXMYJF-HNNXBMFYSA-N 1 2 383.311 3.404 10 0 GGAELO OCC[C@@H]1CSCC[N@@H+]1Cc1ncc(-c2ccc(Br)cc2)o1 ZINC000470194723 566856900 /nfs/dbraw/zinc/85/69/00/566856900.db2.gz QLMVGMJSVHRJJI-CQSZACIVSA-N 1 2 383.311 3.404 10 0 GGAELO OCC[C@@H]1CSCC[N@H+]1Cc1ncc(-c2ccc(Br)cc2)o1 ZINC000470194723 566856906 /nfs/dbraw/zinc/85/69/06/566856906.db2.gz QLMVGMJSVHRJJI-CQSZACIVSA-N 1 2 383.311 3.404 10 0 GGAELO O=S(=O)(C[C@H]1CCCC1(F)F)N1CC[NH2+]C[C@@H]1c1ccccc1Cl ZINC000563138167 566858054 /nfs/dbraw/zinc/85/80/54/566858054.db2.gz UCDNYHLYAGFMBG-IUODEOHRSA-N 1 2 378.872 3.052 10 0 GGAELO CS(=O)(=O)c1ccc(-c2nc(C[N@@H+]3CCSC[C@H]3C3CC3)co2)cc1 ZINC000451658948 566859365 /nfs/dbraw/zinc/85/93/65/566859365.db2.gz ZBEWVLBNGOHGSF-KRWDZBQOSA-N 1 2 378.519 3.073 10 0 GGAELO CS(=O)(=O)c1ccc(-c2nc(C[N@H+]3CCSC[C@H]3C3CC3)co2)cc1 ZINC000451658948 566859370 /nfs/dbraw/zinc/85/93/70/566859370.db2.gz ZBEWVLBNGOHGSF-KRWDZBQOSA-N 1 2 378.519 3.073 10 0 GGAELO COc1ccc(C(=O)Nc2ccc3[nH+]ccn3c2)c(I)c1 ZINC000610756815 566859838 /nfs/dbraw/zinc/85/98/38/566859838.db2.gz AAGXFTJPGGCOST-UHFFFAOYSA-N 1 2 393.184 3.200 10 0 GGAELO COc1cc(Br)c(C[N@@H+]2CCCC[C@@H]2[C@H](O)C(F)(F)F)cc1O ZINC000490543045 566862820 /nfs/dbraw/zinc/86/28/20/566862820.db2.gz KNOABZDDUZIQQQ-RISCZKNCSA-N 1 2 398.219 3.441 10 0 GGAELO COc1cc(Br)c(C[N@H+]2CCCC[C@@H]2[C@H](O)C(F)(F)F)cc1O ZINC000490543045 566862824 /nfs/dbraw/zinc/86/28/24/566862824.db2.gz KNOABZDDUZIQQQ-RISCZKNCSA-N 1 2 398.219 3.441 10 0 GGAELO O=C(Cn1cc[nH+]c1)Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 ZINC000582460187 566865481 /nfs/dbraw/zinc/86/54/81/566865481.db2.gz UDTZOIBZZOWXSD-UHFFFAOYSA-N 1 2 377.231 3.039 10 0 GGAELO C[C@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CCC[C@H](OC(F)F)C1 ZINC000679676941 566866384 /nfs/dbraw/zinc/86/63/84/566866384.db2.gz QNXKBBMTKJNJQJ-MFKMUULPSA-N 1 2 377.229 3.480 10 0 GGAELO C[C@H](C(=O)Nc1cccc(Br)c1)[N@H+]1CCC[C@H](OC(F)F)C1 ZINC000679676941 566866391 /nfs/dbraw/zinc/86/63/91/566866391.db2.gz QNXKBBMTKJNJQJ-MFKMUULPSA-N 1 2 377.229 3.480 10 0 GGAELO FC(F)O[C@H]1CCC[N@H+](Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000679740769 566871367 /nfs/dbraw/zinc/87/13/67/566871367.db2.gz QTNGICYGBRDOJV-NSHDSACASA-N 1 2 378.213 3.424 10 0 GGAELO FC(F)O[C@H]1CCC[N@@H+](Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000679740769 566871370 /nfs/dbraw/zinc/87/13/70/566871370.db2.gz QTNGICYGBRDOJV-NSHDSACASA-N 1 2 378.213 3.424 10 0 GGAELO Cn1cc[nH+]c1CN1CCN(c2nc3ccccc3cc2Br)CC1 ZINC000656121648 566871608 /nfs/dbraw/zinc/87/16/08/566871608.db2.gz QQOPKIQLANTEGL-UHFFFAOYSA-N 1 2 386.297 3.053 10 0 GGAELO OCC[C@H]([NH2+]Cc1cn2cccc(F)c2n1)c1ccccc1Br ZINC000679750725 566871668 /nfs/dbraw/zinc/87/16/68/566871668.db2.gz IWTPSTGHQCISDL-INIZCTEOSA-N 1 2 378.245 3.449 10 0 GGAELO Cc1cn2c([nH+]1)CN(C(=O)NC/C=C\c1ccc(Br)cc1)CC2 ZINC000656140509 566872958 /nfs/dbraw/zinc/87/29/58/566872958.db2.gz CZAUMILLICSELV-IHWYPQMZSA-N 1 2 375.270 3.193 10 0 GGAELO COc1cc(Br)ccc1C[N@H+](C)CC(=O)Nc1cc(C)ccn1 ZINC000679772380 566873216 /nfs/dbraw/zinc/87/32/16/566873216.db2.gz WIYDKHOPOSHYDP-UHFFFAOYSA-N 1 2 378.270 3.232 10 0 GGAELO COc1cc(Br)ccc1C[N@@H+](C)CC(=O)Nc1cc(C)ccn1 ZINC000679772380 566873219 /nfs/dbraw/zinc/87/32/19/566873219.db2.gz WIYDKHOPOSHYDP-UHFFFAOYSA-N 1 2 378.270 3.232 10 0 GGAELO C[C@@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@@H+]1CC[S@](=O)C(C)(C)CC1 ZINC000451751609 566874609 /nfs/dbraw/zinc/87/46/09/566874609.db2.gz BVTALGVVBNIUML-CANCMXDXSA-N 1 2 388.936 3.059 10 0 GGAELO C[C@@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@H+]1CC[S@](=O)C(C)(C)CC1 ZINC000451751609 566874617 /nfs/dbraw/zinc/87/46/17/566874617.db2.gz BVTALGVVBNIUML-CANCMXDXSA-N 1 2 388.936 3.059 10 0 GGAELO CC[C@@H]([NH2+]Cc1ncc(Br)s1)c1ccccc1OCC(=O)NC ZINC000679848635 566878194 /nfs/dbraw/zinc/87/81/94/566878194.db2.gz WNWUXTBKCDLMNQ-GFCCVEGCSA-N 1 2 398.326 3.271 10 0 GGAELO COc1cc(Br)ccc1CCC(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000679884705 566878751 /nfs/dbraw/zinc/87/87/51/566878751.db2.gz HMRZZVJRNCWPRB-UHFFFAOYSA-N 1 2 391.265 3.075 10 0 GGAELO CCOC(=O)CCC1CC[NH+]([C@H](C(N)=O)c2ccc(Br)cc2)CC1 ZINC000610997732 566879639 /nfs/dbraw/zinc/87/96/39/566879639.db2.gz CWYUWZSDCOSWRQ-KRWDZBQOSA-N 1 2 397.313 3.031 10 0 GGAELO Cc1cn2c([nH+]1)CN(C(=O)NCc1c(C)cc(Br)cc1C)CC2 ZINC000679892557 566880356 /nfs/dbraw/zinc/88/03/56/566880356.db2.gz TXXWUSMVODVXGS-UHFFFAOYSA-N 1 2 377.286 3.296 10 0 GGAELO Cc1cn2c([nH+]1)CN(C(=O)NCCOCc1ccc(Cl)cc1Cl)CC2 ZINC000679898630 566880556 /nfs/dbraw/zinc/88/05/56/566880556.db2.gz OFHKIBDLRSPRIN-UHFFFAOYSA-N 1 2 383.279 3.240 10 0 GGAELO Cc1cn2c([nH+]1)CN(C(=O)NCC(C)(C)c1cccc(Br)c1)CC2 ZINC000679890111 566880748 /nfs/dbraw/zinc/88/07/48/566880748.db2.gz LSCGZHYSQRKOEY-UHFFFAOYSA-N 1 2 391.313 3.457 10 0 GGAELO Cc1cn2c([nH+]1)CN(C(=O)N[C@H]1C[C@@H]1c1cccc(Br)c1)CC2 ZINC000679891800 566881302 /nfs/dbraw/zinc/88/13/02/566881302.db2.gz LCKSVPLMADOWAM-CABCVRRESA-N 1 2 375.270 3.035 10 0 GGAELO Cc1cn2c([nH+]1)CN(C(=O)Cn1c(C)c(Br)c3ccccc31)CC2 ZINC000679908423 566881559 /nfs/dbraw/zinc/88/15/59/566881559.db2.gz OKQAHSFEZOOONO-UHFFFAOYSA-N 1 2 387.281 3.260 10 0 GGAELO CN(C(=O)c1n[nH]c(-c2ccccc2)c1Br)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000518431460 566882100 /nfs/dbraw/zinc/88/21/00/566882100.db2.gz BUXILNVLAIKBIK-AWEZNQCLSA-N 1 2 389.297 3.148 10 0 GGAELO CN(C(=O)c1n[nH]c(-c2ccccc2)c1Br)[C@H]1CC[N@H+](C2CC2)C1 ZINC000518431460 566882109 /nfs/dbraw/zinc/88/21/09/566882109.db2.gz BUXILNVLAIKBIK-AWEZNQCLSA-N 1 2 389.297 3.148 10 0 GGAELO Brc1ccccc1-n1nnnc1C[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000543447984 566882174 /nfs/dbraw/zinc/88/21/74/566882174.db2.gz LDLAHLUFZUCAEP-QGZVFWFLSA-N 1 2 385.269 3.061 10 0 GGAELO C[C@@H](c1ccccc1)[C@@H]([NH2+]Cc1nc2ccc(Br)cc2[nH]1)C(N)=O ZINC000428838939 566882098 /nfs/dbraw/zinc/88/20/98/566882098.db2.gz ZFDUTRJKBYEIRF-APPDUMDISA-N 1 2 387.281 3.073 10 0 GGAELO CCCOc1c(Br)cc(C[NH2+]Cc2cn(C)nn2)cc1OCC ZINC000679933229 566882555 /nfs/dbraw/zinc/88/25/55/566882555.db2.gz KRDBKTHQURPBHJ-UHFFFAOYSA-N 1 2 383.290 3.055 10 0 GGAELO Brc1ccccc1-n1nnnc1C[NH2+][C@H](c1cccnc1)C1CC1 ZINC000543447983 566882838 /nfs/dbraw/zinc/88/28/38/566882838.db2.gz LDLAHLUFZUCAEP-KRWDZBQOSA-N 1 2 385.269 3.061 10 0 GGAELO CC(C)c1nn(-c2ccc(Br)cc2)cc1C[NH2+]Cc1cn(C)nn1 ZINC000679932421 566883417 /nfs/dbraw/zinc/88/34/17/566883417.db2.gz DOHDZEOJVGTAMW-UHFFFAOYSA-N 1 2 389.301 3.177 10 0 GGAELO CC[NH+](CC)Cc1csc(NS(=O)(=O)c2ccc(Cl)c(OC)c2)n1 ZINC000656185181 566883654 /nfs/dbraw/zinc/88/36/54/566883654.db2.gz OSCIVJXGOLRWBG-UHFFFAOYSA-N 1 2 389.930 3.448 10 0 GGAELO CS(=O)(=O)CC[C@H]1CCCC[N@@H+]1Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000428840122 566884025 /nfs/dbraw/zinc/88/40/25/566884025.db2.gz NIWSDIFURFKXKY-OAHLLOKOSA-N 1 2 387.929 3.291 10 0 GGAELO CS(=O)(=O)CC[C@H]1CCCC[N@H+]1Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000428840122 566884031 /nfs/dbraw/zinc/88/40/31/566884031.db2.gz NIWSDIFURFKXKY-OAHLLOKOSA-N 1 2 387.929 3.291 10 0 GGAELO CC[C@H]([NH2+][C@@H](C(N)=O)c1ccc(Br)cc1F)c1c(C)nn(C)c1C ZINC000543457234 566884124 /nfs/dbraw/zinc/88/41/24/566884124.db2.gz JDBMEQJYMGRVIS-GOEBONIOSA-N 1 2 397.292 3.206 10 0 GGAELO C[C@H](c1ccccc1)[C@@H]([NH2+]Cc1nc2ccc(Br)cc2[nH]1)C(N)=O ZINC000428838953 566884421 /nfs/dbraw/zinc/88/44/21/566884421.db2.gz ZFDUTRJKBYEIRF-PIGZYNQJSA-N 1 2 387.281 3.073 10 0 GGAELO CC[C@H]([NH2+][C@H](C(N)=O)c1ccc(Br)cc1F)c1c(C)nn(C)c1C ZINC000543457235 566884538 /nfs/dbraw/zinc/88/45/38/566884538.db2.gz JDBMEQJYMGRVIS-HOCLYGCPSA-N 1 2 397.292 3.206 10 0 GGAELO COc1c(C)[nH+]cnc1NCc1c(Br)cncc1Br ZINC000656193134 566884969 /nfs/dbraw/zinc/88/49/69/566884969.db2.gz RMGDRUPMLPHUNG-UHFFFAOYSA-N 1 2 388.063 3.326 10 0 GGAELO C[C@@H]([NH2+]CC(=O)N(C)CC1CC1)c1nc(-c2ccc(Br)cc2)no1 ZINC000543548614 566889468 /nfs/dbraw/zinc/88/94/68/566889468.db2.gz WGYIIIVAKXTMET-LLVKDONJSA-N 1 2 393.285 3.018 10 0 GGAELO COC(=O)[C@H]1CC[N@H+](Cc2cc(Br)cc(C)c2OC(F)F)C1 ZINC000491113606 566893636 /nfs/dbraw/zinc/89/36/36/566893636.db2.gz SGUMPAGXNPCXFK-JTQLQIEISA-N 1 2 378.213 3.354 10 0 GGAELO COC(=O)[C@H]1CC[N@@H+](Cc2cc(Br)cc(C)c2OC(F)F)C1 ZINC000491113606 566893641 /nfs/dbraw/zinc/89/36/41/566893641.db2.gz SGUMPAGXNPCXFK-JTQLQIEISA-N 1 2 378.213 3.354 10 0 GGAELO O=S1(=O)CC[C@@H](CC[N@H+]2CCC[C@@H]2c2ccc(Br)s2)C1 ZINC000680117476 566894997 /nfs/dbraw/zinc/89/49/97/566894997.db2.gz REMQPKLDCXVFRQ-VXGBXAGGSA-N 1 2 378.357 3.472 10 0 GGAELO O=S1(=O)CC[C@@H](CC[N@@H+]2CCC[C@@H]2c2ccc(Br)s2)C1 ZINC000680117476 566895010 /nfs/dbraw/zinc/89/50/10/566895010.db2.gz REMQPKLDCXVFRQ-VXGBXAGGSA-N 1 2 378.357 3.472 10 0 GGAELO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000611179483 566896024 /nfs/dbraw/zinc/89/60/24/566896024.db2.gz DAFXCHQWYUNGMQ-MRVPVSSYSA-N 1 2 381.206 3.306 10 0 GGAELO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[N@H+]1CC[C@@H](C(F)F)C1 ZINC000611179483 566896026 /nfs/dbraw/zinc/89/60/26/566896026.db2.gz DAFXCHQWYUNGMQ-MRVPVSSYSA-N 1 2 381.206 3.306 10 0 GGAELO Cn1c[nH+]cc1Cc1noc(-c2n[nH]c(-c3ccccc3)c2Br)n1 ZINC000563579756 566896235 /nfs/dbraw/zinc/89/62/35/566896235.db2.gz UKHAIBZUMCKZHS-UHFFFAOYSA-N 1 2 385.225 3.214 10 0 GGAELO C[C@@H](C(=O)Nc1ccccc1Cl)[N@@H+]1CCN(CC(F)(F)F)C[C@H](C)C1 ZINC000451865806 566896408 /nfs/dbraw/zinc/89/64/08/566896408.db2.gz ALBJTDABJAMOKM-STQMWFEESA-N 1 2 377.838 3.483 10 0 GGAELO C[C@@H](C(=O)Nc1ccccc1Cl)[N@H+]1CCN(CC(F)(F)F)C[C@H](C)C1 ZINC000451865806 566896416 /nfs/dbraw/zinc/89/64/16/566896416.db2.gz ALBJTDABJAMOKM-STQMWFEESA-N 1 2 377.838 3.483 10 0 GGAELO Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCN(CC(F)(F)F)C[C@H](C)C1 ZINC000451873828 566898100 /nfs/dbraw/zinc/89/81/00/566898100.db2.gz PLIXJLWCHJRAPJ-GFCCVEGCSA-N 1 2 377.838 3.403 10 0 GGAELO Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCN(CC(F)(F)F)C[C@H](C)C1 ZINC000451873828 566898105 /nfs/dbraw/zinc/89/81/05/566898105.db2.gz PLIXJLWCHJRAPJ-GFCCVEGCSA-N 1 2 377.838 3.403 10 0 GGAELO OC[C@@H]([NH2+]Cc1nc(-c2ccoc2)no1)c1ccc(Br)c(F)c1 ZINC000429012731 566898215 /nfs/dbraw/zinc/89/82/15/566898215.db2.gz UFOFISPPYOKYAU-CYBMUJFWSA-N 1 2 382.189 3.054 10 0 GGAELO Cc1c(Cl)cccc1NC(=O)C[N@H+]1CCN(CC(F)(F)F)C[C@@H](C)C1 ZINC000451876623 566898384 /nfs/dbraw/zinc/89/83/84/566898384.db2.gz YLGPDYXQCLEAHB-LBPRGKRZSA-N 1 2 377.838 3.403 10 0 GGAELO Cc1c(Cl)cccc1NC(=O)C[N@@H+]1CCN(CC(F)(F)F)C[C@@H](C)C1 ZINC000451876623 566898391 /nfs/dbraw/zinc/89/83/91/566898391.db2.gz YLGPDYXQCLEAHB-LBPRGKRZSA-N 1 2 377.838 3.403 10 0 GGAELO C[C@@H]1CN(CC(F)(F)F)CC[N@H+](CC(=O)N(C)Cc2ccc(Cl)s2)C1 ZINC000451875390 566898781 /nfs/dbraw/zinc/89/87/81/566898781.db2.gz BQWXVOCXXUEZPG-LBPRGKRZSA-N 1 2 397.894 3.176 10 0 GGAELO C[C@@H]1CN(CC(F)(F)F)CC[N@@H+](CC(=O)N(C)Cc2ccc(Cl)s2)C1 ZINC000451875390 566898789 /nfs/dbraw/zinc/89/87/89/566898789.db2.gz BQWXVOCXXUEZPG-LBPRGKRZSA-N 1 2 397.894 3.176 10 0 GGAELO Cc1ccc(NC(=O)C[N@H+]2CCN(CC(F)(F)F)C[C@H](C)C2)cc1Cl ZINC000451875553 566899467 /nfs/dbraw/zinc/89/94/67/566899467.db2.gz VISJOSNPWGAAPN-GFCCVEGCSA-N 1 2 377.838 3.403 10 0 GGAELO Cc1ccc(NC(=O)C[N@@H+]2CCN(CC(F)(F)F)C[C@H](C)C2)cc1Cl ZINC000451875553 566899471 /nfs/dbraw/zinc/89/94/71/566899471.db2.gz VISJOSNPWGAAPN-GFCCVEGCSA-N 1 2 377.838 3.403 10 0 GGAELO Cc1sc2nc([C@H](C)[N@@H+]3CC[C@@H]([C@H](O)C(F)(F)F)C3)[nH]c(=O)c2c1C ZINC000451881344 566899901 /nfs/dbraw/zinc/89/99/01/566899901.db2.gz BIBYLSYTWANAJH-XRNSZHNASA-N 1 2 375.416 3.320 10 0 GGAELO Cc1sc2nc([C@H](C)[N@H+]3CC[C@@H]([C@H](O)C(F)(F)F)C3)[nH]c(=O)c2c1C ZINC000451881344 566899907 /nfs/dbraw/zinc/89/99/07/566899907.db2.gz BIBYLSYTWANAJH-XRNSZHNASA-N 1 2 375.416 3.320 10 0 GGAELO Cn1c(C[N@@H+]2CC[C@H]([C@H](O)C(F)(F)F)C2)nc2ccc(Br)cc21 ZINC000451885663 566901045 /nfs/dbraw/zinc/90/10/45/566901045.db2.gz HQTLGSPQTFNOIK-XPTSAGLGSA-N 1 2 392.219 3.081 10 0 GGAELO Cn1c(C[N@H+]2CC[C@H]([C@H](O)C(F)(F)F)C2)nc2ccc(Br)cc21 ZINC000451885663 566901051 /nfs/dbraw/zinc/90/10/51/566901051.db2.gz HQTLGSPQTFNOIK-XPTSAGLGSA-N 1 2 392.219 3.081 10 0 GGAELO CCc1sc(-c2nnc(C[N@@H+]3CC[C@H]([C@@H](O)C(F)(F)F)C3)o2)cc1C ZINC000451884081 566901220 /nfs/dbraw/zinc/90/12/20/566901220.db2.gz WLUXQIYBSHQPEN-IINYFYTJSA-N 1 2 375.416 3.414 10 0 GGAELO CCc1sc(-c2nnc(C[N@H+]3CC[C@H]([C@@H](O)C(F)(F)F)C3)o2)cc1C ZINC000451884081 566901223 /nfs/dbraw/zinc/90/12/23/566901223.db2.gz WLUXQIYBSHQPEN-IINYFYTJSA-N 1 2 375.416 3.414 10 0 GGAELO CCCC(=O)NC1CC[NH+](Cc2cc(Br)c(O)c(OCC)c2)CC1 ZINC000656420797 566901288 /nfs/dbraw/zinc/90/12/88/566901288.db2.gz OLZORYFZEDRZTG-UHFFFAOYSA-N 1 2 399.329 3.434 10 0 GGAELO O=C(C[N@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1)Nc1nc(-c2cccs2)cs1 ZINC000451888651 566902819 /nfs/dbraw/zinc/90/28/19/566902819.db2.gz LKCUOXNFYKZEGC-RNCFNFMXSA-N 1 2 391.440 3.055 10 0 GGAELO O=C(C[N@@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1)Nc1nc(-c2cccs2)cs1 ZINC000451888651 566902825 /nfs/dbraw/zinc/90/28/25/566902825.db2.gz LKCUOXNFYKZEGC-RNCFNFMXSA-N 1 2 391.440 3.055 10 0 GGAELO O[C@H]([C@@H]1CC[N@H+](Cc2nc3cc(Br)ccc3[nH]2)C1)C(F)(F)F ZINC000451895695 566903050 /nfs/dbraw/zinc/90/30/50/566903050.db2.gz UFHDFZCCURJFSF-AMIZOPFISA-N 1 2 378.192 3.071 10 0 GGAELO O[C@H]([C@@H]1CC[N@@H+](Cc2nc3cc(Br)ccc3[nH]2)C1)C(F)(F)F ZINC000451895695 566903057 /nfs/dbraw/zinc/90/30/57/566903057.db2.gz UFHDFZCCURJFSF-AMIZOPFISA-N 1 2 378.192 3.071 10 0 GGAELO O[C@H]([C@@H]1CC[N@H+](Cc2nc3ccc(Br)cc3[nH]2)C1)C(F)(F)F ZINC000451895695 566903059 /nfs/dbraw/zinc/90/30/59/566903059.db2.gz UFHDFZCCURJFSF-AMIZOPFISA-N 1 2 378.192 3.071 10 0 GGAELO O[C@H]([C@@H]1CC[N@@H+](Cc2nc3ccc(Br)cc3[nH]2)C1)C(F)(F)F ZINC000451895695 566903063 /nfs/dbraw/zinc/90/30/63/566903063.db2.gz UFHDFZCCURJFSF-AMIZOPFISA-N 1 2 378.192 3.071 10 0 GGAELO COC(=O)c1sccc1C[NH2+][C@@H](CO)c1ccc(Br)c(F)c1 ZINC000429038321 566904569 /nfs/dbraw/zinc/90/45/69/566904569.db2.gz WKXRALAZQCAASQ-ZDUSSCGKSA-N 1 2 388.258 3.260 10 0 GGAELO Cc1cc(Br)cn2cc(CCNC(=O)N3CC[C@H](C)[C@H](F)C3)[nH+]c12 ZINC000680391958 566905434 /nfs/dbraw/zinc/90/54/34/566905434.db2.gz ZOZWPUKZIQQAGL-XHDPSFHLSA-N 1 2 397.292 3.337 10 0 GGAELO O=C([C@H]1CC12CC[NH+](Cc1ccc(Br)cn1)CC2)N1CCCCC1 ZINC000543711632 566905897 /nfs/dbraw/zinc/90/58/97/566905897.db2.gz DIOCJFOKGDYQLK-QGZVFWFLSA-N 1 2 392.341 3.459 10 0 GGAELO O=[S@](CC[N@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1)c1cc(Cl)ccc1Cl ZINC000451911297 566906729 /nfs/dbraw/zinc/90/67/29/566906729.db2.gz PMYYYCBOONNCMV-BIIPMVSMSA-N 1 2 390.254 3.346 10 0 GGAELO O=[S@](CC[N@@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1)c1cc(Cl)ccc1Cl ZINC000451911297 566906733 /nfs/dbraw/zinc/90/67/33/566906733.db2.gz PMYYYCBOONNCMV-BIIPMVSMSA-N 1 2 390.254 3.346 10 0 GGAELO C[C@H](C(=O)Nc1ccccc1Br)[N@@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000451916258 566908420 /nfs/dbraw/zinc/90/84/20/566908420.db2.gz WBHYYZNKNVQLCR-NRUUGDAUSA-N 1 2 395.219 3.021 10 0 GGAELO C[C@H](C(=O)Nc1ccccc1Br)[N@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000451916258 566908424 /nfs/dbraw/zinc/90/84/24/566908424.db2.gz WBHYYZNKNVQLCR-NRUUGDAUSA-N 1 2 395.219 3.021 10 0 GGAELO Cc1sc2nc(C[NH+]3CCCC3)nc(N(C)[C@@H](C)C[S@](C)=O)c2c1C ZINC000543785460 566909727 /nfs/dbraw/zinc/90/97/27/566909727.db2.gz XEORSQRCRCMZAC-VDBVYFBLSA-N 1 2 380.583 3.107 10 0 GGAELO COc1cc(Br)ccc1CN1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000543782748 566909973 /nfs/dbraw/zinc/90/99/73/566909973.db2.gz QRFHSRHJRKJVQJ-UHFFFAOYSA-N 1 2 376.298 3.483 10 0 GGAELO CCn1cc[nH+]c1[C@H](C)NS(=O)(=O)c1c(C)cc(Br)cc1C ZINC000451929277 566910127 /nfs/dbraw/zinc/91/01/27/566910127.db2.gz HDVOUUBKKVGNHH-LBPRGKRZSA-N 1 2 386.315 3.322 10 0 GGAELO COC(=O)c1ccc(Br)cc1C[N@@H+]1CC[C@@H](n2cc(C)cn2)C1 ZINC000583016804 566914696 /nfs/dbraw/zinc/91/46/96/566914696.db2.gz IYZGXGJHWGQVHY-OAHLLOKOSA-N 1 2 378.270 3.188 10 0 GGAELO COC(=O)c1ccc(Br)cc1C[N@H+]1CC[C@@H](n2cc(C)cn2)C1 ZINC000583016804 566914706 /nfs/dbraw/zinc/91/47/06/566914706.db2.gz IYZGXGJHWGQVHY-OAHLLOKOSA-N 1 2 378.270 3.188 10 0 GGAELO COC(=O)c1ccc(Br)cc1C[N@@H+]1CC[C@H](n2cc(C)cn2)C1 ZINC000583016803 566915196 /nfs/dbraw/zinc/91/51/96/566915196.db2.gz 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C[C@@H]1C[N@@H+](Cc2cc3c(cc2Br)OCO3)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000430249383 567002293 /nfs/dbraw/zinc/00/22/93/567002293.db2.gz IPGWKCMUTQNBNW-VFVRVIDISA-N 1 2 398.297 3.336 10 0 GGAELO CCCc1cc(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)ccc1Cl ZINC000472146170 567002709 /nfs/dbraw/zinc/00/27/09/567002709.db2.gz SBNLAEBAXYJTML-IBGZPJMESA-N 1 2 382.957 3.230 10 0 GGAELO Cc1nc(-c2ccc(S(=O)(=O)NC[C@@H]3CC[N@@H+]3C(C)(C)C)s2)cs1 ZINC000657035550 567005443 /nfs/dbraw/zinc/00/54/43/567005443.db2.gz UYYWVUMRGFIMHM-LBPRGKRZSA-N 1 2 385.580 3.331 10 0 GGAELO Cc1nc(-c2ccc(S(=O)(=O)NC[C@@H]3CC[N@H+]3C(C)(C)C)s2)cs1 ZINC000657035550 567005445 /nfs/dbraw/zinc/00/54/45/567005445.db2.gz UYYWVUMRGFIMHM-LBPRGKRZSA-N 1 2 385.580 3.331 10 0 GGAELO CN(C)S(=O)(=O)c1ccc(C[NH+]2CC(c3nc4ccccc4s3)C2)s1 ZINC000584049461 567006200 /nfs/dbraw/zinc/00/62/00/567006200.db2.gz FUWVZFICPHJGPV-UHFFFAOYSA-N 1 2 393.559 3.208 10 0 GGAELO COc1cc(OC)c(NC(=O)N2CCn3cc(C)[nH+]c3C2)cc1Br ZINC000681794856 567007173 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C[C@H](c1ccc(F)cc1F)[NH+]1CCN(Cc2c(Br)cnn2C)CC1 ZINC000494939871 567035837 /nfs/dbraw/zinc/03/58/37/567035837.db2.gz LDLMJTYXYAVGCG-GFCCVEGCSA-N 1 2 399.283 3.340 10 0 GGAELO Cc1cn2c([nH+]1)CN(C(=O)c1c(F)c(F)c(Br)c(F)c1F)CC2 ZINC000613401517 567036900 /nfs/dbraw/zinc/03/69/00/567036900.db2.gz SFVQZUDXKUDPOK-UHFFFAOYSA-N 1 2 392.150 3.166 10 0 GGAELO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N[C@H](CO)c3ccsc3)n2)C1 ZINC000545325316 567038110 /nfs/dbraw/zinc/03/81/10/567038110.db2.gz WWJAMJBZWBQQPM-IUODEOHRSA-N 1 2 380.539 3.292 10 0 GGAELO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N[C@H](CO)c3ccsc3)n2)C1 ZINC000545325316 567038125 /nfs/dbraw/zinc/03/81/25/567038125.db2.gz WWJAMJBZWBQQPM-IUODEOHRSA-N 1 2 380.539 3.292 10 0 GGAELO Cc1cc(Br)cn2cc(CNc3ncnc4c3ncn4C3CC3)[nH+]c12 ZINC000584387670 567038218 /nfs/dbraw/zinc/03/82/18/567038218.db2.gz MANBRQIMYOJJTM-UHFFFAOYSA-N 1 2 398.268 3.492 10 0 GGAELO COc1cc(Br)ccc1CCCNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000613450350 567038860 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CCc1cc(N)nc(SCC(=O)COc2ccc(Br)cc2)[nH+]1 ZINC000657259035 567042627 /nfs/dbraw/zinc/04/26/27/567042627.db2.gz DTHRGBBQYCUINA-UHFFFAOYSA-N 1 2 382.283 3.124 10 0 GGAELO Cc1ccn([C@H](C)CC(=O)NCc2cn3cc(Br)cc(C)c3[nH+]2)n1 ZINC000613504362 567042933 /nfs/dbraw/zinc/04/29/33/567042933.db2.gz PHDKZVMJVVKALH-CYBMUJFWSA-N 1 2 390.285 3.178 10 0 GGAELO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)C2(C(F)(F)F)CCOCC2)CC1 ZINC000613546089 567044179 /nfs/dbraw/zinc/04/41/79/567044179.db2.gz VHANROXBIXFYBD-CYBMUJFWSA-N 1 2 376.444 3.312 10 0 GGAELO CN(C)c1[nH+]cccc1CNC(=O)Cc1ccc(Br)c(Cl)c1 ZINC000682457493 567045914 /nfs/dbraw/zinc/04/59/14/567045914.db2.gz FSGZHVVEMIZEHM-UHFFFAOYSA-N 1 2 382.689 3.422 10 0 GGAELO CCC1(CC)C[N@H+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC[S@]1=O ZINC000613584800 567046469 /nfs/dbraw/zinc/04/64/69/567046469.db2.gz MMPQMUJFHCPURD-YEBMWUKDSA-N 1 2 394.364 3.356 10 0 GGAELO CCC1(CC)C[N@@H+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC[S@]1=O ZINC000613584800 567046472 /nfs/dbraw/zinc/04/64/72/567046472.db2.gz MMPQMUJFHCPURD-YEBMWUKDSA-N 1 2 394.364 3.356 10 0 GGAELO O=C1CCCN1Cc1ccccc1C[NH2+]Cc1c(F)cncc1Br ZINC000657306765 567047577 /nfs/dbraw/zinc/04/75/77/567047577.db2.gz VZIKIZXVSWWWRE-UHFFFAOYSA-N 1 2 392.272 3.395 10 0 GGAELO Cn1c2cc(F)ccc2[nH+]c1N1CCN(c2ccc(Br)cn2)CC1 ZINC000431037886 567048319 /nfs/dbraw/zinc/04/83/19/567048319.db2.gz AFVYVPPDMQMBFO-UHFFFAOYSA-N 1 2 390.260 3.197 10 0 GGAELO CC[C@H](NC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1)c1ccc(Cl)s1 ZINC000545406632 567048447 /nfs/dbraw/zinc/04/84/47/567048447.db2.gz OHBQHQWOQXEZTB-ZDUSSCGKSA-N 1 2 379.917 3.483 10 0 GGAELO C[C@H]([NH2+]Cc1ccc(OCCN2CCOCC2)c(Cl)c1)c1cscn1 ZINC000565243537 567049667 /nfs/dbraw/zinc/04/96/67/567049667.db2.gz CVNVMUCOGSZVOZ-AWEZNQCLSA-N 1 2 381.929 3.358 10 0 GGAELO COc1cc(Br)ccc1[C@@H](C)NC(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000682499942 567051305 /nfs/dbraw/zinc/05/13/05/567051305.db2.gz ZHINDAWCXSEGNC-GFCCVEGCSA-N 1 2 393.285 3.249 10 0 GGAELO C[C@H]([NH2+][C@H]1CCN(c2ccccc2Cl)C1=O)c1ncc(Br)cn1 ZINC000431086761 567051496 /nfs/dbraw/zinc/05/14/96/567051496.db2.gz SCZSJYBKBYSHAD-GWCFXTLKSA-N 1 2 395.688 3.349 10 0 GGAELO CCOc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ncc(Br)cn1 ZINC000431082058 567051815 /nfs/dbraw/zinc/05/18/15/567051815.db2.gz SJMOJYDCLZDRJL-RYUDHWBXSA-N 1 2 393.285 3.316 10 0 GGAELO C[C@@H]([NH2+][C@@H](C)c1ncc(Br)cn1)C(=O)Nc1ccc(F)c(F)c1 ZINC000431081097 567052197 /nfs/dbraw/zinc/05/21/97/567052197.db2.gz OJNZIXSFKITAMP-DTWKUNHWSA-N 1 2 385.212 3.195 10 0 GGAELO COc1ccc(C)cc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ncc(Br)cn1 ZINC000431078385 567052537 /nfs/dbraw/zinc/05/25/37/567052537.db2.gz TZTNJLNVASXYOP-RYUDHWBXSA-N 1 2 393.285 3.234 10 0 GGAELO C[C@H](CNC(=O)[C@H](C)[NH2+][C@@H](C)c1ncc(Br)cn1)c1ccccc1 ZINC000431084608 567052742 /nfs/dbraw/zinc/05/27/42/567052742.db2.gz HDNIQIWVTAXCLA-RDBSUJKOSA-N 1 2 391.313 3.198 10 0 GGAELO CCOc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ncc(Br)cn2)cc1 ZINC000431087948 567053724 /nfs/dbraw/zinc/05/37/24/567053724.db2.gz RHPLMXFFCZJCAJ-VXGBXAGGSA-N 1 2 393.285 3.316 10 0 GGAELO Cn1ncc(C2CC2)c1C[NH2+]Cc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000657390208 567054051 /nfs/dbraw/zinc/05/40/51/567054051.db2.gz UMKIDDNYOPKNKA-UHFFFAOYSA-N 1 2 387.285 3.135 10 0 GGAELO CCOc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ncc(Br)cn2)cc1 ZINC000431087946 567054112 /nfs/dbraw/zinc/05/41/12/567054112.db2.gz RHPLMXFFCZJCAJ-NWDGAFQWSA-N 1 2 393.285 3.316 10 0 GGAELO Cc1ccc(F)cc1NC(=O)[C@H](C)[NH2+][C@H](C)c1ncc(Br)cn1 ZINC000431107064 567055000 /nfs/dbraw/zinc/05/50/00/567055000.db2.gz PBJZEVYOWVECFJ-MNOVXSKESA-N 1 2 381.249 3.364 10 0 GGAELO Cc1ccccc1CN(C)C(=O)[C@@H](C)[NH2+][C@H](C)c1ncc(Br)cn1 ZINC000431109624 567055070 /nfs/dbraw/zinc/05/50/70/567055070.db2.gz RNDYSLUEKGUSQD-ZIAGYGMSSA-N 1 2 391.313 3.245 10 0 GGAELO C[C@@H]([NH2+][C@H]1CCCN(c2cccc(F)c2)C1=O)c1ncc(Br)cn1 ZINC000431108645 567055181 /nfs/dbraw/zinc/05/51/81/567055181.db2.gz VAANITDYVOVAND-ABAIWWIYSA-N 1 2 393.260 3.224 10 0 GGAELO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)Cc1cccc(F)c1)c1ncc(Br)cn1 ZINC000431102426 567055188 /nfs/dbraw/zinc/05/51/88/567055188.db2.gz LSPYOADIGPDYKC-NEPJUHHUSA-N 1 2 395.276 3.076 10 0 GGAELO Cc1ccc(F)cc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ncc(Br)cn1 ZINC000431107066 567055268 /nfs/dbraw/zinc/05/52/68/567055268.db2.gz PBJZEVYOWVECFJ-WDEREUQCSA-N 1 2 381.249 3.364 10 0 GGAELO C[N@H+](CC(=O)N1CCO[C@H]2CCCC[C@H]21)Cc1cc(Br)cs1 ZINC000613683681 567055340 /nfs/dbraw/zinc/05/53/40/567055340.db2.gz FAYKNGSWGURREQ-CABCVRRESA-N 1 2 387.343 3.112 10 0 GGAELO C[N@@H+](CC(=O)N1CCO[C@H]2CCCC[C@H]21)Cc1cc(Br)cs1 ZINC000613683681 567055347 /nfs/dbraw/zinc/05/53/47/567055347.db2.gz FAYKNGSWGURREQ-CABCVRRESA-N 1 2 387.343 3.112 10 0 GGAELO C[C@H]([NH2+][C@H]1CCCN(c2cccc(F)c2)C1=O)c1ncc(Br)cn1 ZINC000431108652 567055362 /nfs/dbraw/zinc/05/53/62/567055362.db2.gz VAANITDYVOVAND-NHYWBVRUSA-N 1 2 393.260 3.224 10 0 GGAELO CN1CCCC[C@H]([N@H+](C)Cc2nc(-c3cc(Br)cs3)no2)C1=O ZINC000634738970 567055392 /nfs/dbraw/zinc/05/53/92/567055392.db2.gz FPDNUQZFTLVIAB-NSHDSACASA-N 1 2 399.314 3.003 10 0 GGAELO CN1CCCC[C@H]([N@@H+](C)Cc2nc(-c3cc(Br)cs3)no2)C1=O ZINC000634738970 567055399 /nfs/dbraw/zinc/05/53/99/567055399.db2.gz FPDNUQZFTLVIAB-NSHDSACASA-N 1 2 399.314 3.003 10 0 GGAELO C[C@H]([NH2+][C@@H](C)c1ncc(Br)cn1)C(=O)NCc1ccc(Cl)cc1 ZINC000431105028 567055556 /nfs/dbraw/zinc/05/55/56/567055556.db2.gz XLTARSNVVHDGNE-QWRGUYRKSA-N 1 2 397.704 3.248 10 0 GGAELO FC(F)[C@@H]1CC[N@H+](Cc2nc(-c3cccc(Br)c3)no2)CCO1 ZINC000634749798 567056029 /nfs/dbraw/zinc/05/60/29/567056029.db2.gz FWHRRPFARFSELI-LBPRGKRZSA-N 1 2 388.212 3.355 10 0 GGAELO FC(F)[C@@H]1CC[N@@H+](Cc2nc(-c3cccc(Br)c3)no2)CCO1 ZINC000634749798 567056034 /nfs/dbraw/zinc/05/60/34/567056034.db2.gz FWHRRPFARFSELI-LBPRGKRZSA-N 1 2 388.212 3.355 10 0 GGAELO CCN(C(=O)[C@H](C)[NH2+][C@@H](C)c1ncc(Br)cn1)C1CCCCC1 ZINC000431124535 567056583 /nfs/dbraw/zinc/05/65/83/567056583.db2.gz GTPWHSXOZTZLPJ-STQMWFEESA-N 1 2 383.334 3.459 10 0 GGAELO CCN(C(=O)[C@@H](C)[NH2+][C@@H](C)c1ncc(Br)cn1)C1CCCCC1 ZINC000431124532 567056778 /nfs/dbraw/zinc/05/67/78/567056778.db2.gz GTPWHSXOZTZLPJ-QWHCGFSZSA-N 1 2 383.334 3.459 10 0 GGAELO C[C@@H]([NH2+][C@@H](C)C(=O)NCc1ccccc1Cl)c1ncc(Br)cn1 ZINC000431115944 567057073 /nfs/dbraw/zinc/05/70/73/567057073.db2.gz CUPNXXUPIAIPEK-MNOVXSKESA-N 1 2 397.704 3.248 10 0 GGAELO C[C@@H]([NH2+][C@@H](C)c1ncc(Br)cn1)C(=O)NCc1ccccc1Cl ZINC000431115946 567057146 /nfs/dbraw/zinc/05/71/46/567057146.db2.gz CUPNXXUPIAIPEK-WDEREUQCSA-N 1 2 397.704 3.248 10 0 GGAELO CC[N@@H+]1CC[C@H](NCc2nsc(N(C)C)n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000584667598 567059506 /nfs/dbraw/zinc/05/95/06/567059506.db2.gz NAEVBVQQQQETGU-GOEBONIOSA-N 1 2 383.924 3.322 10 0 GGAELO CC[N@H+]1CC[C@H](NCc2nsc(N(C)C)n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000584667598 567059509 /nfs/dbraw/zinc/05/95/09/567059509.db2.gz NAEVBVQQQQETGU-GOEBONIOSA-N 1 2 383.924 3.322 10 0 GGAELO CCN1CC[C@H]([NH2+]Cc2nsc(N(C)C)n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000584667598 567059511 /nfs/dbraw/zinc/05/95/11/567059511.db2.gz NAEVBVQQQQETGU-GOEBONIOSA-N 1 2 383.924 3.322 10 0 GGAELO CC[N@@H+]1CC[C@H](NCc2nsc(N(C)C)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000584667599 567059850 /nfs/dbraw/zinc/05/98/50/567059850.db2.gz NAEVBVQQQQETGU-HOCLYGCPSA-N 1 2 383.924 3.322 10 0 GGAELO CC[N@H+]1CC[C@H](NCc2nsc(N(C)C)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000584667599 567059853 /nfs/dbraw/zinc/05/98/53/567059853.db2.gz NAEVBVQQQQETGU-HOCLYGCPSA-N 1 2 383.924 3.322 10 0 GGAELO CCN1CC[C@H]([NH2+]Cc2nsc(N(C)C)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000584667599 567059856 /nfs/dbraw/zinc/05/98/56/567059856.db2.gz NAEVBVQQQQETGU-HOCLYGCPSA-N 1 2 383.924 3.322 10 0 GGAELO COc1cc(Br)ccc1[C@@H](C)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000682586753 567060291 /nfs/dbraw/zinc/06/02/91/567060291.db2.gz HRFMUSSYTKCKPY-NEPJUHHUSA-N 1 2 378.270 3.094 10 0 GGAELO C[C@H]([NH2+]Cc1ccc(S(C)(=O)=O)s1)c1ncc(-c2ccccc2)n1C ZINC000453211368 567063164 /nfs/dbraw/zinc/06/31/64/567063164.db2.gz FBGIFNNTSXRQPA-ZDUSSCGKSA-N 1 2 375.519 3.403 10 0 GGAELO OC[C@H]([NH2+]Cc1cc2c(cc1Br)OCCCO2)c1ccsc1 ZINC000473158087 567065515 /nfs/dbraw/zinc/06/55/15/567065515.db2.gz AZVVVPDHQAXSOB-AWEZNQCLSA-N 1 2 384.295 3.495 10 0 GGAELO FC(F)(F)c1ncc(C[NH2+]Cc2cc3c(cc2Br)OCO3)cn1 ZINC000657549795 567068562 /nfs/dbraw/zinc/06/85/62/567068562.db2.gz JTCLYOYIVUFCMG-UHFFFAOYSA-N 1 2 390.159 3.276 10 0 GGAELO CCOc1cc(C[NH2+][C@@H]2C[C@@H](C)n3ncnc32)cc(Br)c1OC ZINC000657566965 567070418 /nfs/dbraw/zinc/07/04/18/567070418.db2.gz GIZCSPVBDWQAJQ-ZWNOBZJWSA-N 1 2 381.274 3.244 10 0 GGAELO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+][C@@H]1C[C@@H](C)n2ncnc21 ZINC000657571778 567070831 /nfs/dbraw/zinc/07/08/31/567070831.db2.gz ZHTMKDRJBCSESM-BDJLRTHQSA-N 1 2 387.285 3.330 10 0 GGAELO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@H]1C[C@H](C)n2ncnc21 ZINC000657571240 567071011 /nfs/dbraw/zinc/07/10/11/567071011.db2.gz XFIABHRMIOZCGI-ZBEGNZNMSA-N 1 2 387.285 3.330 10 0 GGAELO CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]Cc1nn(C)cc1Br)CCC2 ZINC000453303769 567072979 /nfs/dbraw/zinc/07/29/79/567072979.db2.gz DBHCIUHCUQMQGC-LBPRGKRZSA-N 1 2 396.285 3.428 10 0 GGAELO C[C@H]([NH2+]Cc1nn(C)cc1Br)c1ccc(-n2cncn2)cc1Cl ZINC000453303030 567073162 /nfs/dbraw/zinc/07/31/62/567073162.db2.gz BBLTWIFIQSAXIC-JTQLQIEISA-N 1 2 395.692 3.268 10 0 GGAELO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2nn(C)cc2Br)c2ccccc21 ZINC000453314937 567074184 /nfs/dbraw/zinc/07/41/84/567074184.db2.gz YXHHRVRIDYNLTB-ZBFHGGJFSA-N 1 2 392.297 3.454 10 0 GGAELO CCOC(=O)[C@H]1CC[C@@H]([NH2+]Cc2nn(C)cc2Br)c2ccccc21 ZINC000453314933 567074781 /nfs/dbraw/zinc/07/47/81/567074781.db2.gz YXHHRVRIDYNLTB-GOEBONIOSA-N 1 2 392.297 3.454 10 0 GGAELO COCc1n[nH]c(C[NH2+]Cc2cnc(-c3ccc(Br)cc3)s2)n1 ZINC000657607550 567074956 /nfs/dbraw/zinc/07/49/56/567074956.db2.gz IPNSZTWSBJRSFL-UHFFFAOYSA-N 1 2 394.298 3.127 10 0 GGAELO Cc1ccc(C(=O)N2CC[NH+](Cc3cccnc3)CC2)c(C)c1Br ZINC000682857385 567077802 /nfs/dbraw/zinc/07/78/02/567077802.db2.gz LAAHRPPQIBUKND-UHFFFAOYSA-N 1 2 388.309 3.419 10 0 GGAELO Cc1ccc(OCc2nc(C[NH2+][C@@H]3CC[C@@H](C)S(=O)(=O)C3)cs2)cc1 ZINC000657636060 567078167 /nfs/dbraw/zinc/07/81/67/567078167.db2.gz CORYINIBEVWQRS-HUUCEWRRSA-N 1 2 380.535 3.086 10 0 GGAELO Cc1nn(-c2ccc(Br)cc2)cc1-c1nc(Cc2c[nH+]cn2C)no1 ZINC000545845486 567079467 /nfs/dbraw/zinc/07/94/67/567079467.db2.gz ZCUFVXNTYBPEKR-UHFFFAOYSA-N 1 2 399.252 3.318 10 0 GGAELO Cn1c[nH+]cc1Cc1noc(-c2cnn(-c3cccc(Br)c3)c2)n1 ZINC000545848453 567081328 /nfs/dbraw/zinc/08/13/28/567081328.db2.gz WHMVUHGREWQRCQ-UHFFFAOYSA-N 1 2 385.225 3.009 10 0 GGAELO Cc1c(-c2nc(Cc3c[nH+]cn3C)no2)cnn1-c1cccc(Br)c1 ZINC000545847426 567081480 /nfs/dbraw/zinc/08/14/80/567081480.db2.gz NPWPFOCODQBQCT-UHFFFAOYSA-N 1 2 399.252 3.318 10 0 GGAELO Cc1csc(C2([NH2+]CC(=O)NCCOc3ccc(Cl)cc3)CCC2)n1 ZINC000545884919 567084734 /nfs/dbraw/zinc/08/47/34/567084734.db2.gz DSJMLZCPLULFET-UHFFFAOYSA-N 1 2 379.913 3.269 10 0 GGAELO COc1ccnc(C[NH2+]Cc2cc(Br)c3c(c2)OCCCO3)c1F ZINC000657673758 567084756 /nfs/dbraw/zinc/08/47/56/567084756.db2.gz VPCBWTDHRZPDBY-UHFFFAOYSA-N 1 2 397.244 3.443 10 0 GGAELO COc1csc(C(=O)N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)c1 ZINC000473489592 567085285 /nfs/dbraw/zinc/08/52/85/567085285.db2.gz UBXXGSVZDRIGHD-UHFFFAOYSA-N 1 2 380.897 3.247 10 0 GGAELO CCc1ncc(C[NH2+][C@@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)o1 ZINC000453401315 567086851 /nfs/dbraw/zinc/08/68/51/567086851.db2.gz ZBMUQAVDYNCXIQ-QMMMGPOBSA-N 1 2 378.281 3.042 10 0 GGAELO C[C@H](c1ccccc1Br)N(C)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000521947946 567087662 /nfs/dbraw/zinc/08/76/62/567087662.db2.gz OHFFWKUKOZFUAG-VXGBXAGGSA-N 1 2 377.286 3.432 10 0 GGAELO C[C@H](c1ccccc1Br)N(C)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000521947946 567087670 /nfs/dbraw/zinc/08/76/70/567087670.db2.gz OHFFWKUKOZFUAG-VXGBXAGGSA-N 1 2 377.286 3.432 10 0 GGAELO Cc1cc(C)c(S(=O)(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)s1 ZINC000431524181 567088278 /nfs/dbraw/zinc/08/82/78/567088278.db2.gz OFHNGMJADIFMSY-HZPDHXFCSA-N 1 2 386.489 3.367 10 0 GGAELO 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Cn1cc[nH+]c1C[C@@H](NC(=O)c1ncccc1Br)c1ccccc1 ZINC000684450186 567209453 /nfs/dbraw/zinc/20/94/53/567209453.db2.gz ARIIBLMXRRVWIS-OAHLLOKOSA-N 1 2 385.265 3.291 10 0 GGAELO CC[N@H+](Cc1cn(C)nn1)Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000474922694 567209879 /nfs/dbraw/zinc/20/98/79/567209879.db2.gz BIEHPILNIMWKLP-UHFFFAOYSA-N 1 2 393.207 3.498 10 0 GGAELO CC[N@@H+](Cc1cn(C)nn1)Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000474922694 567209882 /nfs/dbraw/zinc/20/98/82/567209882.db2.gz BIEHPILNIMWKLP-UHFFFAOYSA-N 1 2 393.207 3.498 10 0 GGAELO COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H](C(=O)OC)c2ccc(Br)cc2)[C@H]1C ZINC000474920545 567210215 /nfs/dbraw/zinc/21/02/15/567210215.db2.gz CTJXTSXFSPJTEA-ONQXIZJVSA-N 1 2 398.297 3.231 10 0 GGAELO C[C@@H]([NH2+]CC(=O)N(Cc1ccccc1)C1CC1)c1ncc(Br)cn1 ZINC000432977325 567210696 /nfs/dbraw/zinc/21/06/96/567210696.db2.gz BYXKHWOZRQBFOC-CYBMUJFWSA-N 1 2 389.297 3.081 10 0 GGAELO CCN(Cc1ccccc1)C(=O)[C@H](C)[NH2+][C@H](C)c1ncc(Br)cn1 ZINC000432986284 567212727 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COc1ccc(Cl)cc1NC(=O)C[NH2+][C@@H](C)c1ncc(Br)cn1 ZINC000432989606 567214379 /nfs/dbraw/zinc/21/43/79/567214379.db2.gz SGPZCGBRNAAREZ-VIFPVBQESA-N 1 2 399.676 3.190 10 0 GGAELO C[C@H](c1ccccc1)N(C)C(=O)C[NH2+][C@@H](C)c1ncc(Br)cn1 ZINC000432994703 567214718 /nfs/dbraw/zinc/21/47/18/567214718.db2.gz VKSZVDZENJKFEQ-QWHCGFSZSA-N 1 2 377.286 3.109 10 0 GGAELO CCc1ccc([C@H](C)NC(=O)C[NH2+][C@@H](C)c2ncc(Br)cn2)cc1 ZINC000433007603 567215639 /nfs/dbraw/zinc/21/56/39/567215639.db2.gz VQERNGYTUUTRSJ-STQMWFEESA-N 1 2 391.313 3.330 10 0 GGAELO CSc1ccc(NC(=O)C[NH2+][C@H](C)c2ncc(Br)cn2)cc1 ZINC000433008853 567215813 /nfs/dbraw/zinc/21/58/13/567215813.db2.gz QCHHUPFCQBPLJS-SNVBAGLBSA-N 1 2 381.299 3.250 10 0 GGAELO COc1ccc(N[C@@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)[nH+]c1 ZINC000684556654 567215750 /nfs/dbraw/zinc/21/57/50/567215750.db2.gz VPIVARVQMAAFOE-QMMMGPOBSA-N 1 2 376.265 3.218 10 0 GGAELO CCn1cc[nH+]c1[C@@H](C)NC(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000615959965 567216410 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567227891 /nfs/dbraw/zinc/22/78/91/567227891.db2.gz BSSSKMZBZNBCFA-CQSZACIVSA-N 1 2 379.234 3.175 10 0 GGAELO FC(F)(F)c1cnc(N2CC[NH+](CCO[C@@H]3CC3(F)F)CC2)c(Cl)c1 ZINC000659818887 567228069 /nfs/dbraw/zinc/22/80/69/567228069.db2.gz WMZKLOBQBJJYRK-GFCCVEGCSA-N 1 2 385.764 3.300 10 0 GGAELO COC(=O)c1cccc(Br)c1C[N@H+]1CC=C(c2ccnn2C)CC1 ZINC000433190623 567229698 /nfs/dbraw/zinc/22/96/98/567229698.db2.gz RBLPMPVSVJNLTC-UHFFFAOYSA-N 1 2 390.281 3.259 10 0 GGAELO COC(=O)c1cccc(Br)c1C[N@@H+]1CC=C(c2ccnn2C)CC1 ZINC000433190623 567229701 /nfs/dbraw/zinc/22/97/01/567229701.db2.gz RBLPMPVSVJNLTC-UHFFFAOYSA-N 1 2 390.281 3.259 10 0 GGAELO FC1(F)C[C@@H]1OCC[NH+]1CCN(Cc2ccc(Br)s2)CC1 ZINC000659832642 567230458 /nfs/dbraw/zinc/23/04/58/567230458.db2.gz XDIOPPLTVKNLHF-LBPRGKRZSA-N 1 2 381.286 3.052 10 0 GGAELO COc1cccc(OC(F)(F)F)c1C(=O)Nc1nc(C[NH+](C)C)cs1 ZINC000616194011 567230901 /nfs/dbraw/zinc/23/09/01/567230901.db2.gz UZSMBEBANUFXAJ-UHFFFAOYSA-N 1 2 375.372 3.364 10 0 GGAELO 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O=C(CCOc1cccc(Br)c1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590729519 567241076 /nfs/dbraw/zinc/24/10/76/567241076.db2.gz DIQUNKCCGLIFAL-OAHLLOKOSA-N 1 2 378.270 3.278 10 0 GGAELO Cc1ccsc1-c1nc(=NC(=O)NCCCCC[NH+]2CCCC2)s[nH]1 ZINC000455168597 567241292 /nfs/dbraw/zinc/24/12/92/567241292.db2.gz ZOKZTTZYYINCIW-UHFFFAOYSA-N 1 2 379.555 3.385 10 0 GGAELO O=C(CCOc1cccc(Br)c1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590729517 567241890 /nfs/dbraw/zinc/24/18/90/567241890.db2.gz DIQUNKCCGLIFAL-HNNXBMFYSA-N 1 2 378.270 3.278 10 0 GGAELO COc1nsc(C[NH2+]Cc2cnn(Cc3ccccc3)c2)c1Br ZINC000638358750 567244703 /nfs/dbraw/zinc/24/47/03/567244703.db2.gz JULQSCLCRABQNO-UHFFFAOYSA-N 1 2 393.310 3.449 10 0 GGAELO Cc1cc(Br)cc(C)c1S(=O)(=O)NCc1ccn2cc[nH+]c2c1 ZINC000475397010 567245819 /nfs/dbraw/zinc/24/58/19/567245819.db2.gz JJGXIJUYYUXVRH-UHFFFAOYSA-N 1 2 394.294 3.192 10 0 GGAELO C[C@@H]1CCN(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccc(Br)cc2)C1 ZINC000660012223 567247152 /nfs/dbraw/zinc/24/71/52/567247152.db2.gz 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Fc1ccc(Cc2nc([C@@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)c(Br)c1 ZINC000685350498 567269522 /nfs/dbraw/zinc/26/95/22/567269522.db2.gz WJOWCXDMGTUYRH-HIFRSBDPSA-N 1 2 396.260 3.488 10 0 GGAELO Fc1ccc(Cc2nc([C@@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)c(Br)c1 ZINC000685350498 567269530 /nfs/dbraw/zinc/26/95/30/567269530.db2.gz WJOWCXDMGTUYRH-HIFRSBDPSA-N 1 2 396.260 3.488 10 0 GGAELO COc1cc(Br)c(CNc2[nH+]c(C)nc3[nH]ccc32)cc1OC ZINC000433772996 567272483 /nfs/dbraw/zinc/27/24/83/567272483.db2.gz FVXVVUIWKSBDEG-UHFFFAOYSA-N 1 2 377.242 3.080 10 0 GGAELO Fc1ccc(C[N@@H+]2CCC[C@@H](n3ccnc3)C2)c(I)c1 ZINC000591353249 567277728 /nfs/dbraw/zinc/27/77/28/567277728.db2.gz DTCCHRNGBRKPIQ-CQSZACIVSA-N 1 2 385.224 3.464 10 0 GGAELO Fc1ccc(C[N@H+]2CCC[C@@H](n3ccnc3)C2)c(I)c1 ZINC000591353249 567277735 /nfs/dbraw/zinc/27/77/35/567277735.db2.gz DTCCHRNGBRKPIQ-CQSZACIVSA-N 1 2 385.224 3.464 10 0 GGAELO CCn1cc[nH+]c1[C@@H](C)NC(=O)N1CCc2cccc(Br)c2C1 ZINC000455479857 567278576 /nfs/dbraw/zinc/27/85/76/567278576.db2.gz VPJIVUPTHLPSOP-GFCCVEGCSA-N 1 2 377.286 3.494 10 0 GGAELO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)Nc1cc(Br)ccn1 ZINC000499891426 567281010 /nfs/dbraw/zinc/28/10/10/567281010.db2.gz BOFPBHZKNHKEGA-UHFFFAOYSA-N 1 2 386.253 3.411 10 0 GGAELO NC(=O)C[N@@H+]1CCc2ccc(NC(=O)c3cccc(Cl)c3Cl)cc2C1 ZINC000433967585 567286172 /nfs/dbraw/zinc/28/61/72/567286172.db2.gz DRYNJPYHYZSQEW-UHFFFAOYSA-N 1 2 378.259 3.089 10 0 GGAELO NC(=O)C[N@H+]1CCc2ccc(NC(=O)c3cccc(Cl)c3Cl)cc2C1 ZINC000433967585 567286177 /nfs/dbraw/zinc/28/61/77/567286177.db2.gz DRYNJPYHYZSQEW-UHFFFAOYSA-N 1 2 378.259 3.089 10 0 GGAELO O=C(Nc1nc2c(cccc2Br)s1)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000685655304 567290497 /nfs/dbraw/zinc/29/04/97/567290497.db2.gz UDWLNKIMGUJJLY-QMMMGPOBSA-N 1 2 392.282 3.461 10 0 GGAELO O=C(Nc1nc2c(cccc2Br)s1)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000685655304 567290504 /nfs/dbraw/zinc/29/05/04/567290504.db2.gz UDWLNKIMGUJJLY-QMMMGPOBSA-N 1 2 392.282 3.461 10 0 GGAELO C[C@@H]1CN(c2ccc(CNc3ncccc3Br)c[nH+]2)C[C@@H](C)O1 ZINC000567934667 567291496 /nfs/dbraw/zinc/29/14/96/567291496.db2.gz GYFCFWMHJQTPRZ-CHWSQXEVSA-N 1 2 377.286 3.465 10 0 GGAELO COc1nsc(C[NH2+]Cc2ccn(Cc3ccccc3)n2)c1Br ZINC000639148714 567292330 /nfs/dbraw/zinc/29/23/30/567292330.db2.gz IELFEMLSWLVBTI-UHFFFAOYSA-N 1 2 393.310 3.449 10 0 GGAELO O=C(N[C@@H](c1nccs1)C(F)(F)F)N1CC[NH+](Cc2cccs2)CC1 ZINC000455653523 567292897 /nfs/dbraw/zinc/29/28/97/567292897.db2.gz IWYMYDPQKGMTFY-LBPRGKRZSA-N 1 2 390.456 3.335 10 0 GGAELO CN1C(=O)C[C@@H]([NH2+]Cc2nnc(C(F)(F)F)s2)[C@H]1c1ccc(Cl)cc1 ZINC000660415067 567293051 /nfs/dbraw/zinc/29/30/51/567293051.db2.gz WYJNIFJDLKZRSX-ZWNOBZJWSA-N 1 2 390.818 3.272 10 0 GGAELO CCOc1cc(Br)c(F)cc1NC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000567971585 567294077 /nfs/dbraw/zinc/29/40/77/567294077.db2.gz CNOAYLCBRTVBTD-SECBINFHSA-N 1 2 397.248 3.389 10 0 GGAELO CCOc1cc(Br)c(F)cc1NC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000567971585 567294087 /nfs/dbraw/zinc/29/40/87/567294087.db2.gz CNOAYLCBRTVBTD-SECBINFHSA-N 1 2 397.248 3.389 10 0 GGAELO Cc1[nH+]ccc(NS(=O)(=O)c2cc(F)ccc2Cl)c1Br ZINC000526120145 567294399 /nfs/dbraw/zinc/29/43/99/567294399.db2.gz SDBKZKJHDJYFQB-UHFFFAOYSA-N 1 2 379.638 3.168 10 0 GGAELO Cc1ccc(Cl)c(S(=O)(=O)Nc2cc[nH+]c(C)c2Br)c1 ZINC000526119637 567295172 /nfs/dbraw/zinc/29/51/72/567295172.db2.gz BNYOEIOUKLRLCD-UHFFFAOYSA-N 1 2 375.675 3.337 10 0 GGAELO O=C(NCCCCn1cc[nH+]c1)N1CCOc2cc(Br)ccc2C1 ZINC000660438382 567296072 /nfs/dbraw/zinc/29/60/72/567296072.db2.gz VFROWKYCVHBTIV-UHFFFAOYSA-N 1 2 393.285 3.030 10 0 GGAELO Brc1ccccc1-n1cc(CN2CCC[C@H](n3cc[nH+]c3)C2)nn1 ZINC000685835879 567302623 /nfs/dbraw/zinc/30/26/23/567302623.db2.gz HJSWGVGYYAPTEY-HNNXBMFYSA-N 1 2 387.285 3.063 10 0 GGAELO CCOc1cc(C[NH+]2[C@@H](C)C[C@@H]2C)cc(Br)c1OCC(=O)N(C)C ZINC000526989433 567302924 /nfs/dbraw/zinc/30/29/24/567302924.db2.gz BOAROKUVJPPSTR-STQMWFEESA-N 1 2 399.329 3.298 10 0 GGAELO FC(F)O[C@H]1CCC[N@H+](Cc2cn(-c3ccccc3Br)nn2)C1 ZINC000685843235 567303056 /nfs/dbraw/zinc/30/30/56/567303056.db2.gz VTNAWEVTQDCJNG-LBPRGKRZSA-N 1 2 387.228 3.233 10 0 GGAELO FC(F)O[C@H]1CCC[N@@H+](Cc2cn(-c3ccccc3Br)nn2)C1 ZINC000685843235 567303061 /nfs/dbraw/zinc/30/30/61/567303061.db2.gz VTNAWEVTQDCJNG-LBPRGKRZSA-N 1 2 387.228 3.233 10 0 GGAELO CCOc1cc(C[N@H+]2[C@H](C)C[C@@H]2C)cc(Br)c1OCC(=O)N(C)C ZINC000526989431 567303613 /nfs/dbraw/zinc/30/36/13/567303613.db2.gz BOAROKUVJPPSTR-BETUJISGSA-N 1 2 399.329 3.298 10 0 GGAELO CCOc1cc(C[N@@H+]2[C@H](C)C[C@@H]2C)cc(Br)c1OCC(=O)N(C)C ZINC000526989431 567303619 /nfs/dbraw/zinc/30/36/19/567303619.db2.gz BOAROKUVJPPSTR-BETUJISGSA-N 1 2 399.329 3.298 10 0 GGAELO OC[C@@H]1C[N@H+](Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)C[C@H]1C(F)(F)F ZINC000639386371 567305637 /nfs/dbraw/zinc/30/56/37/567305637.db2.gz GZTFUKRROULWBF-JOYOIKCWSA-N 1 2 395.212 3.177 10 0 GGAELO OC[C@@H]1C[N@@H+](Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)C[C@H]1C(F)(F)F ZINC000639386371 567305643 /nfs/dbraw/zinc/30/56/43/567305643.db2.gz GZTFUKRROULWBF-JOYOIKCWSA-N 1 2 395.212 3.177 10 0 GGAELO Cc1c(Br)c2ccccc2n1CC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000548311860 567306972 /nfs/dbraw/zinc/30/69/72/567306972.db2.gz MMDFTADXTHOGCX-ZDUSSCGKSA-N 1 2 387.281 3.040 10 0 GGAELO FC(F)[C@@H]1CCN(c2nc(N3CC[C@@H](C(F)F)C3)c3c([nH+]2)CCS3)C1 ZINC000685919097 567310278 /nfs/dbraw/zinc/31/02/78/567310278.db2.gz BDNRGDJOOGPMRC-NXEZZACHSA-N 1 2 376.423 3.308 10 0 GGAELO CC(C)n1ncnc1C[NH2+][C@H](C)c1cc2c(cc1Br)OCCO2 ZINC000434471525 567310655 /nfs/dbraw/zinc/31/06/55/567310655.db2.gz UPWAJRUHWDXUNW-LLVKDONJSA-N 1 2 381.274 3.244 10 0 GGAELO O=C(NCCc1ccccc1Br)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000434465975 567310714 /nfs/dbraw/zinc/31/07/14/567310714.db2.gz SVDJPNOEENIVQQ-UHFFFAOYSA-N 1 2 377.286 3.304 10 0 GGAELO O=C(NCCc1ccccc1Br)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000434465975 567310719 /nfs/dbraw/zinc/31/07/19/567310719.db2.gz SVDJPNOEENIVQQ-UHFFFAOYSA-N 1 2 377.286 3.304 10 0 GGAELO Cn1cc([C@H]([NH2+]Cc2ncc(Br)cc2Cl)C2(CO)CCC2)cn1 ZINC000660597410 567312038 /nfs/dbraw/zinc/31/20/38/567312038.db2.gz AUPJZJJPLGAGJB-HNNXBMFYSA-N 1 2 399.720 3.225 10 0 GGAELO C[C@@H](c1ccccc1)[C@@H]([NH2+]Cc1ncc(Br)cc1Cl)C(N)=O ZINC000660609650 567313417 /nfs/dbraw/zinc/31/34/17/567313417.db2.gz XHWDOBYSFKYURS-ZUZCIYMTSA-N 1 2 382.689 3.245 10 0 GGAELO C[C@@H]1CCN(C(=O)Cc2ccc(Br)cc2O)C[C@H]1n1cc[nH+]c1 ZINC000548405261 567313669 /nfs/dbraw/zinc/31/36/69/567313669.db2.gz IWFXMKQYSDEQOY-IUODEOHRSA-N 1 2 378.270 3.003 10 0 GGAELO C[C@H]1CCN(C(=O)Cc2ccc(Br)cc2O)C[C@H]1n1cc[nH+]c1 ZINC000548405263 567314085 /nfs/dbraw/zinc/31/40/85/567314085.db2.gz IWFXMKQYSDEQOY-SWLSCSKDSA-N 1 2 378.270 3.003 10 0 GGAELO Cc1ccc(S(=O)(=O)Nc2cc[nH+]c(C)c2Br)cc1Cl ZINC000527112324 567315716 /nfs/dbraw/zinc/31/57/16/567315716.db2.gz LSAPUIVREXDFOG-UHFFFAOYSA-N 1 2 375.675 3.337 10 0 GGAELO Cc1[nH+]ccc(NS(=O)(=O)c2ccc3c(c2)CCCC3)c1Br ZINC000527112673 567316014 /nfs/dbraw/zinc/31/60/14/567316014.db2.gz TWNBDSULDACAPI-UHFFFAOYSA-N 1 2 381.295 3.254 10 0 GGAELO COC(=O)c1csc(C[NH2+]C2(c3cc(Br)ccc3OC)CC2)n1 ZINC000592137793 567316516 /nfs/dbraw/zinc/31/65/16/567316516.db2.gz PCPVDVWTBCQFFH-UHFFFAOYSA-N 1 2 397.294 3.480 10 0 GGAELO O=C(N[C@@H]1CCc2c1ccc(Cl)c2Cl)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000660660921 567316838 /nfs/dbraw/zinc/31/68/38/567316838.db2.gz XLEFWHQGDRAKFR-BLLLJJGKSA-N 1 2 384.307 3.097 10 0 GGAELO COc1ncc(Br)cc1C[N@@H+]1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000660672521 567316874 /nfs/dbraw/zinc/31/68/74/567316874.db2.gz UQVOQQKVKWKWJM-WMZOPIPTSA-N 1 2 395.272 3.153 10 0 GGAELO COc1ncc(Br)cc1C[N@H+]1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000660672521 567316877 /nfs/dbraw/zinc/31/68/77/567316877.db2.gz UQVOQQKVKWKWJM-WMZOPIPTSA-N 1 2 395.272 3.153 10 0 GGAELO COc1c(C)c[nH+]c(COc2ccc(Cl)cc2S(=O)(=O)N(C)C)c1C ZINC000434648920 567319084 /nfs/dbraw/zinc/31/90/84/567319084.db2.gz QQGJTHVYARYYJW-UHFFFAOYSA-N 1 2 384.885 3.190 10 0 GGAELO Brc1c2ccccc2oc1C[NH+]1CCN(c2ncns2)CC1 ZINC000660706362 567320866 /nfs/dbraw/zinc/32/08/66/567320866.db2.gz PFTIZTWADGBOKQ-UHFFFAOYSA-N 1 2 379.283 3.369 10 0 GGAELO O=C1C[C@H]([N@@H+]2CC[C@H](CC(F)(F)F)C2)C(=O)N1c1ccc(F)c(Cl)c1 ZINC000568349533 567321331 /nfs/dbraw/zinc/32/13/31/567321331.db2.gz WYIWMEGPMLSJGQ-RNCFNFMXSA-N 1 2 378.753 3.385 10 0 GGAELO O=C1C[C@H]([N@H+]2CC[C@H](CC(F)(F)F)C2)C(=O)N1c1ccc(F)c(Cl)c1 ZINC000568349533 567321338 /nfs/dbraw/zinc/32/13/38/567321338.db2.gz WYIWMEGPMLSJGQ-RNCFNFMXSA-N 1 2 378.753 3.385 10 0 GGAELO NS(=O)(=O)c1cc(C[NH+]2CCC(F)(Cc3ccc(Cl)cc3)CC2)co1 ZINC000660720925 567322139 /nfs/dbraw/zinc/32/21/39/567322139.db2.gz MVYYWLPATYLFLS-UHFFFAOYSA-N 1 2 386.876 3.127 10 0 GGAELO C[C@@H](NC(=O)NCC1(c2ccccc2Br)CC1)c1[nH+]ccn1C ZINC000660730906 567322860 /nfs/dbraw/zinc/32/28/60/567322860.db2.gz NZUXWPOSBADNKN-GFCCVEGCSA-N 1 2 377.286 3.275 10 0 GGAELO C[C@H](CNC(=O)N[C@H](C)c1[nH+]ccn1C)Oc1ccc(Br)cc1 ZINC000660772800 567326495 /nfs/dbraw/zinc/32/64/95/567326495.db2.gz WIOIHBLZBSSQBI-VXGBXAGGSA-N 1 2 381.274 3.010 10 0 GGAELO C[C@@H](NC(=O)NC[C@H](C)Oc1cccc(Br)c1)c1[nH+]ccn1C ZINC000660769856 567326642 /nfs/dbraw/zinc/32/66/42/567326642.db2.gz MCQDWUPJQJONKH-NWDGAFQWSA-N 1 2 381.274 3.010 10 0 GGAELO C[C@H](CNC(=O)N[C@@H](C)c1[nH+]ccn1C)Oc1ccccc1Br ZINC000660799961 567327274 /nfs/dbraw/zinc/32/72/74/567327274.db2.gz ZAPBXQGRBVGGSF-NEPJUHHUSA-N 1 2 381.274 3.010 10 0 GGAELO C[C@H](CNC(=O)N[C@H](C)c1[nH+]ccn1C)Oc1ccccc1Br ZINC000660799964 567327360 /nfs/dbraw/zinc/32/73/60/567327360.db2.gz ZAPBXQGRBVGGSF-VXGBXAGGSA-N 1 2 381.274 3.010 10 0 GGAELO C[C@@H]1C[N@H+](CCNC(=O)c2c(Cl)cc(F)cc2Br)[C@@H](C)CO1 ZINC000617720040 567330430 /nfs/dbraw/zinc/33/04/30/567330430.db2.gz YLOGZVFOLFQMLI-VHSXEESVSA-N 1 2 393.684 3.081 10 0 GGAELO C[C@@H]1C[N@@H+](CCNC(=O)c2c(Cl)cc(F)cc2Br)[C@@H](C)CO1 ZINC000617720040 567330434 /nfs/dbraw/zinc/33/04/34/567330434.db2.gz YLOGZVFOLFQMLI-VHSXEESVSA-N 1 2 393.684 3.081 10 0 GGAELO C[C@H]1C[N@H+](CCNC(=O)c2cc(F)c(Br)cc2Cl)[C@@H](C)CO1 ZINC000617723742 567331339 /nfs/dbraw/zinc/33/13/39/567331339.db2.gz QTTNIQCGGIKMHW-UWVGGRQHSA-N 1 2 393.684 3.081 10 0 GGAELO C[C@H]1C[N@@H+](CCNC(=O)c2cc(F)c(Br)cc2Cl)[C@@H](C)CO1 ZINC000617723742 567331341 /nfs/dbraw/zinc/33/13/41/567331341.db2.gz QTTNIQCGGIKMHW-UWVGGRQHSA-N 1 2 393.684 3.081 10 0 GGAELO C[C@H]1C[N@H+](CCNC(=O)CSc2cccc(C(F)(F)F)c2)[C@@H](C)CO1 ZINC000617743168 567331527 /nfs/dbraw/zinc/33/15/27/567331527.db2.gz GSPFXWIRMAKXRP-STQMWFEESA-N 1 2 376.444 3.023 10 0 GGAELO C[C@H]1C[N@@H+](CCNC(=O)CSc2cccc(C(F)(F)F)c2)[C@@H](C)CO1 ZINC000617743168 567331531 /nfs/dbraw/zinc/33/15/31/567331531.db2.gz GSPFXWIRMAKXRP-STQMWFEESA-N 1 2 376.444 3.023 10 0 GGAELO Cc1[nH]ccc(=NC(=O)NCc2ccccc2-n2cc[nH+]c2)c1Br ZINC000527338280 567332346 /nfs/dbraw/zinc/33/23/46/567332346.db2.gz XRFGHBRJLCTJJO-UHFFFAOYSA-N 1 2 386.253 3.082 10 0 GGAELO CCCOc1ccc(S(=O)(=O)Nc2cc[nH+]c(C)c2Br)cc1 ZINC000527362132 567334134 /nfs/dbraw/zinc/33/41/34/567334134.db2.gz DQZAKIIAYAXZJE-UHFFFAOYSA-N 1 2 385.283 3.164 10 0 GGAELO CC(C)C[C@@H]([NH2+]Cc1nn(C)cc1I)c1ccncc1 ZINC000592389746 567334917 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387.268 3.219 10 0 GGAELO O=[S@@]1C[C@@H]2C[C@H]1C[N@H+]2Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000593685904 567434916 /nfs/dbraw/zinc/43/49/16/567434916.db2.gz BTSUBYIMAXXLFH-QENPMARHSA-N 1 2 383.336 3.278 10 0 GGAELO O=[S@@]1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000593685904 567434920 /nfs/dbraw/zinc/43/49/20/567434920.db2.gz BTSUBYIMAXXLFH-QENPMARHSA-N 1 2 383.336 3.278 10 0 GGAELO CC(C)(C(=O)NC(CCC(F)(F)F)CCC(F)(F)F)[NH+]1CCOCC1 ZINC000619125493 567435433 /nfs/dbraw/zinc/43/54/33/567435433.db2.gz BXEVDSRMYDFMTJ-UHFFFAOYSA-N 1 2 378.357 3.267 10 0 GGAELO Cc1cc(I)cc(NC(=O)Cc2cn3c([nH+]2)CCCC3)c1 ZINC000593703291 567436170 /nfs/dbraw/zinc/43/61/70/567436170.db2.gz BKOQENNEHYATQG-UHFFFAOYSA-N 1 2 395.244 3.314 10 0 GGAELO COc1cc(C(=O)NCc2[nH+]ccn2CC(C)C)cc(Br)c1OC ZINC000550278416 567439084 /nfs/dbraw/zinc/43/90/84/567439084.db2.gz VMYFUMXNDOMIKJ-UHFFFAOYSA-N 1 2 396.285 3.249 10 0 GGAELO Cc1c2cc(Br)ccc2sc1C(=O)N1CC[N@@H+](CCO)C[C@@H]1C ZINC000457098394 567439955 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ZINC000480042730 567577619 /nfs/dbraw/zinc/57/76/19/567577619.db2.gz SURLEBVVVJOWDX-UHFFFAOYSA-N 1 2 390.203 3.375 10 0 GGAELO C[C@@]1(Br)C[C@H]1c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000530157276 567578271 /nfs/dbraw/zinc/57/82/71/567578271.db2.gz CJDHTTDEJKHVTH-WMLDXEAASA-N 1 2 378.270 3.210 10 0 GGAELO COc1ccc(Br)cc1C[NH2+][C@@H]1CS(=O)(=O)Cc2ccccc21 ZINC000621356450 567581163 /nfs/dbraw/zinc/58/11/63/567581163.db2.gz MWEUXFXLNOEHRR-MRXNPFEDSA-N 1 2 396.306 3.217 10 0 GGAELO O=S1(=O)Cc2ccccc2[C@H]([NH2+]Cc2cc(Br)ccc2F)C1 ZINC000621356400 567581199 /nfs/dbraw/zinc/58/11/99/567581199.db2.gz LSMGSKABDDLLHZ-MRXNPFEDSA-N 1 2 384.270 3.348 10 0 GGAELO O=S1(=O)Cc2ccccc2[C@@H]([NH2+]Cc2ccc(Br)cc2F)C1 ZINC000621357653 567581351 /nfs/dbraw/zinc/58/13/51/567581351.db2.gz VGXZHZSNQQTBSJ-INIZCTEOSA-N 1 2 384.270 3.348 10 0 GGAELO O=S1(=O)Cc2ccccc2[C@@H]([NH2+]Cc2ccc(F)c(Br)c2)C1 ZINC000621352897 567581918 /nfs/dbraw/zinc/58/19/18/567581918.db2.gz DNKPVRASUHKJIQ-INIZCTEOSA-N 1 2 384.270 3.348 10 0 GGAELO Cc1cc(Br)cn2cc(CCNC(=O)N3CC4CC3(C)C4)[nH+]c12 ZINC000664648068 567582274 /nfs/dbraw/zinc/58/22/74/567582274.db2.gz YUFPAJNMHUJTDI-UHFFFAOYSA-N 1 2 377.286 3.142 10 0 GGAELO NC(=O)c1cc(F)ccc1N1CC[NH+](Cc2ccc(Br)s2)CC1 ZINC000621384844 567582747 /nfs/dbraw/zinc/58/27/47/567582747.db2.gz WTOHZKKFHYZIMB-UHFFFAOYSA-N 1 2 398.301 3.071 10 0 GGAELO NC(=O)c1cc(F)ccc1N1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000621383181 567582882 /nfs/dbraw/zinc/58/28/82/567582882.db2.gz UWENNVDQOMDFBW-UHFFFAOYSA-N 1 2 392.272 3.009 10 0 GGAELO COc1ccc(CCC(=O)NCCNc2cccc[nH+]2)c(Br)c1 ZINC000621425173 567584355 /nfs/dbraw/zinc/58/43/55/567584355.db2.gz RUHKNVYLSLJCOG-UHFFFAOYSA-N 1 2 378.270 3.014 10 0 GGAELO Clc1cc(I)ccc1C[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000595827869 567585503 /nfs/dbraw/zinc/58/55/03/567585503.db2.gz SUJQJCDJGCFCMS-RYUDHWBXSA-N 1 2 377.653 3.413 10 0 GGAELO Clc1cc(I)ccc1C[N@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000595827869 567585511 /nfs/dbraw/zinc/58/55/11/567585511.db2.gz SUJQJCDJGCFCMS-RYUDHWBXSA-N 1 2 377.653 3.413 10 0 GGAELO CCCOc1ccc(Br)cc1C[N@H+](CC)[C@@H]1CCS(=O)(=O)C1 ZINC000505581318 567585712 /nfs/dbraw/zinc/58/57/12/567585712.db2.gz HJVQYZUKXYHYFR-OAHLLOKOSA-N 1 2 390.343 3.247 10 0 GGAELO CCCOc1ccc(Br)cc1C[N@@H+](CC)[C@@H]1CCS(=O)(=O)C1 ZINC000505581318 567585719 /nfs/dbraw/zinc/58/57/19/567585719.db2.gz HJVQYZUKXYHYFR-OAHLLOKOSA-N 1 2 390.343 3.247 10 0 GGAELO O=C(NC[C@@H]1CC[NH2+]CC1(F)F)[C@@H]1C[C@]12CCc1cc(Br)ccc12 ZINC000571754978 567586186 /nfs/dbraw/zinc/58/61/86/567586186.db2.gz CUWDXVIHHFNJDQ-NUTKFTJISA-N 1 2 399.279 3.014 10 0 GGAELO CCn1cc[nH+]c1CNC(=O)NCC(F)(F)c1ccc(Br)cc1 ZINC000621458464 567587297 /nfs/dbraw/zinc/58/72/97/567587297.db2.gz DKNMIQJLNWWYRV-UHFFFAOYSA-N 1 2 387.228 3.257 10 0 GGAELO Cc1ncc(C[NH2+][C@H]2CCS(=O)(=O)c3ccc(Br)cc32)s1 ZINC000480210742 567588673 /nfs/dbraw/zinc/58/86/73/567588673.db2.gz RYPSUEPDPVUAPB-ZDUSSCGKSA-N 1 2 387.324 3.222 10 0 GGAELO CCn1cc[nH+]c1CNC(=O)N1CCC[C@H]1c1ccc(Br)cn1 ZINC000459007887 567593148 /nfs/dbraw/zinc/59/31/48/567593148.db2.gz LVBQHSBOJJTHOW-AWEZNQCLSA-N 1 2 378.274 3.107 10 0 GGAELO Cc1c(Br)ccc(C(=O)N2CC[NH2+][C@@H](c3ccncc3)C2)c1F ZINC000505709745 567593083 /nfs/dbraw/zinc/59/30/83/567593083.db2.gz VSIWYUBJUNNNMA-OAHLLOKOSA-N 1 2 378.245 3.078 10 0 GGAELO COC(=O)c1cnc([C@@H]2CCC[N@@H+](Cc3csc([C@H](C)OC)n3)C2)s1 ZINC000595918163 567593314 /nfs/dbraw/zinc/59/33/14/567593314.db2.gz ILSNTKKEXAINRP-NWDGAFQWSA-N 1 2 381.523 3.473 10 0 GGAELO COC(=O)c1cnc([C@@H]2CCC[N@H+](Cc3csc([C@H](C)OC)n3)C2)s1 ZINC000595918163 567593320 /nfs/dbraw/zinc/59/33/20/567593320.db2.gz ILSNTKKEXAINRP-NWDGAFQWSA-N 1 2 381.523 3.473 10 0 GGAELO COC(=O)c1cnc([C@H]2CCC[N@H+](Cc3ccc(Br)cn3)C2)s1 ZINC000595916601 567593531 /nfs/dbraw/zinc/59/35/31/567593531.db2.gz GAZHHVYUGJZECB-NSHDSACASA-N 1 2 396.310 3.467 10 0 GGAELO COC(=O)c1cnc([C@H]2CCC[N@@H+](Cc3ccc(Br)cn3)C2)s1 ZINC000595916601 567593537 /nfs/dbraw/zinc/59/35/37/567593537.db2.gz GAZHHVYUGJZECB-NSHDSACASA-N 1 2 396.310 3.467 10 0 GGAELO COC(=O)c1cnc([C@@H]2CCC[N@H+](Cc3ccc(Br)cn3)C2)s1 ZINC000595916599 567593576 /nfs/dbraw/zinc/59/35/76/567593576.db2.gz GAZHHVYUGJZECB-LLVKDONJSA-N 1 2 396.310 3.467 10 0 GGAELO COC(=O)c1cnc([C@@H]2CCC[N@@H+](Cc3ccc(Br)cn3)C2)s1 ZINC000595916599 567593578 /nfs/dbraw/zinc/59/35/78/567593578.db2.gz GAZHHVYUGJZECB-LLVKDONJSA-N 1 2 396.310 3.467 10 0 GGAELO O=C(CSCc1ccc(Br)cc1)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000552536802 567595546 /nfs/dbraw/zinc/59/55/46/567595546.db2.gz VDAGJWLFDLFFJA-ZDUSSCGKSA-N 1 2 380.311 3.079 10 0 GGAELO O=C(CSCc1ccc(Br)cc1)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000552536802 567595548 /nfs/dbraw/zinc/59/55/48/567595548.db2.gz VDAGJWLFDLFFJA-ZDUSSCGKSA-N 1 2 380.311 3.079 10 0 GGAELO CC[C@H]1C[N@H+](Cc2ccc(C(=O)OC)cc2Br)C[C@]2(CCOC2)O1 ZINC000571887589 567596385 /nfs/dbraw/zinc/59/63/85/567596385.db2.gz DMZCNTQYJWCZOK-YJBOKZPZSA-N 1 2 398.297 3.006 10 0 GGAELO CC[C@H]1C[N@@H+](Cc2ccc(C(=O)OC)cc2Br)C[C@]2(CCOC2)O1 ZINC000571887589 567596387 /nfs/dbraw/zinc/59/63/87/567596387.db2.gz DMZCNTQYJWCZOK-YJBOKZPZSA-N 1 2 398.297 3.006 10 0 GGAELO Cc1ccccc1-n1cc(C[NH2+][C@@H](CO)c2cccc(Br)c2)nn1 ZINC000571916474 567597713 /nfs/dbraw/zinc/59/77/13/567597713.db2.gz BXTHSAVWZRNXBZ-KRWDZBQOSA-N 1 2 387.281 3.161 10 0 GGAELO O=C([C@@H]1CCC[C@H](O)C1)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000439741298 567599557 /nfs/dbraw/zinc/59/95/57/567599557.db2.gz RDESPGPNLUZSAY-CVEARBPZSA-N 1 2 385.335 3.231 10 0 GGAELO O=C(Nc1cnc2c(Br)cccn12)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000645010132 567599594 /nfs/dbraw/zinc/59/95/94/567599594.db2.gz RYLOBQXEHSIXFN-GFCCVEGCSA-N 1 2 389.257 3.162 10 0 GGAELO C[C@@H]([NH2+]CC(=O)N1c2ccccc2CC[C@@H]1C)c1ncc(Br)cn1 ZINC000645017344 567600053 /nfs/dbraw/zinc/60/00/53/567600053.db2.gz KYQDSOWUPVUIMO-QWHCGFSZSA-N 1 2 389.297 3.258 10 0 GGAELO Cc1nc([C@@](C)(NCc2cn3cc(Br)ccc3[nH+]2)C2CC2)no1 ZINC000645024119 567600175 /nfs/dbraw/zinc/60/01/75/567600175.db2.gz UAJVMYCRKCWFQX-INIZCTEOSA-N 1 2 376.258 3.203 10 0 GGAELO Cc1nc([C@@](C)([NH2+]C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C2CC2)no1 ZINC000645024167 567600683 /nfs/dbraw/zinc/60/06/83/567600683.db2.gz JFGALLYXFWAARC-PXAZEXFGSA-N 1 2 386.279 3.340 10 0 GGAELO C[C@H](CN(C)C(=O)NCCc1cn(C)c[nH+]1)Oc1ccc(Cl)c(Cl)c1 ZINC000459153587 567602521 /nfs/dbraw/zinc/60/25/21/567602521.db2.gz SBYGFCSBFNCISE-GFCCVEGCSA-N 1 2 385.295 3.378 10 0 GGAELO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000552710948 567603325 /nfs/dbraw/zinc/60/33/25/567603325.db2.gz BHHUIZPVSJNQTD-UHFFFAOYSA-N 1 2 377.231 3.238 10 0 GGAELO O=C(Nc1nnc(SCc2cccs2)s1)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000621706501 567604870 /nfs/dbraw/zinc/60/48/70/567604870.db2.gz WIMISMXWMHSUOZ-VIFPVBQESA-N 1 2 377.520 3.359 10 0 GGAELO O=C(Nc1nnc(SCc2cccs2)s1)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000621706501 567604875 /nfs/dbraw/zinc/60/48/75/567604875.db2.gz WIMISMXWMHSUOZ-VIFPVBQESA-N 1 2 377.520 3.359 10 0 GGAELO Cc1[nH+]c2ccccc2n1CCC(=O)N[C@@H](C)c1ncc(Br)cn1 ZINC000552731345 567605822 /nfs/dbraw/zinc/60/58/22/567605822.db2.gz YWLZSQONGKQUDK-NSHDSACASA-N 1 2 388.269 3.165 10 0 GGAELO O=S1(=O)Cc2ccccc2[C@H]([NH2+]Cc2cccc(F)c2Br)C1 ZINC000621735193 567606742 /nfs/dbraw/zinc/60/67/42/567606742.db2.gz CTCJUSHOOOJYAD-OAHLLOKOSA-N 1 2 384.270 3.348 10 0 GGAELO CCOc1cc(C[NH2+][C@H]2CS(=O)(=O)Cc3ccccc32)cc(Cl)c1O ZINC000621735148 567606926 /nfs/dbraw/zinc/60/69/26/567606926.db2.gz BTEOEKWJAICTCF-INIZCTEOSA-N 1 2 381.881 3.204 10 0 GGAELO C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)[N@H+](C)Cc1cnc(N(C)C)nc1 ZINC000506035128 567607772 /nfs/dbraw/zinc/60/77/72/567607772.db2.gz DCIMAWXSTPLDJS-NSHDSACASA-N 1 2 382.295 3.308 10 0 GGAELO C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)[N@@H+](C)Cc1cnc(N(C)C)nc1 ZINC000506035128 567607774 /nfs/dbraw/zinc/60/77/74/567607774.db2.gz DCIMAWXSTPLDJS-NSHDSACASA-N 1 2 382.295 3.308 10 0 GGAELO O=C(NCCCn1cc[nH+]c1)c1cc(Br)cc(N2CCCC2)c1 ZINC000665106382 567607858 /nfs/dbraw/zinc/60/78/58/567607858.db2.gz OFTFOXSWNOKYLR-UHFFFAOYSA-N 1 2 377.286 3.066 10 0 GGAELO COC(=O)Cc1cc[nH+]c(N2CCO[C@@H](c3ccc(Br)cc3)C2)c1 ZINC000596090176 567608112 /nfs/dbraw/zinc/60/81/12/567608112.db2.gz MLNWAJLZGLHXIY-MRXNPFEDSA-N 1 2 391.265 3.138 10 0 GGAELO C[C@H]([C@H](C)[NH2+][C@H](c1ccc(Br)cc1)C(F)F)N1CCOCC1 ZINC000621751232 567608179 /nfs/dbraw/zinc/60/81/79/567608179.db2.gz CCLIZRQTPCVWHF-YWPYICTPSA-N 1 2 377.273 3.454 10 0 GGAELO COC(=O)Cc1cc[nH+]c(N2CCO[C@@H](c3cccc(Br)c3)C2)c1 ZINC000596097316 567608586 /nfs/dbraw/zinc/60/85/86/567608586.db2.gz HXJOTMXDENRCNV-MRXNPFEDSA-N 1 2 391.265 3.138 10 0 GGAELO CC(C)C(=O)N1CC[NH+](CCCC(=O)c2ccc(Br)cc2)CC1 ZINC000552776994 567608759 /nfs/dbraw/zinc/60/87/59/567608759.db2.gz TVKITVUUIPCELI-UHFFFAOYSA-N 1 2 381.314 3.212 10 0 GGAELO O=S1(=O)CCC(C[NH2+][C@@H](c2ccc(Br)cc2)C(F)F)CC1 ZINC000621755841 567609132 /nfs/dbraw/zinc/60/91/32/567609132.db2.gz CBLSEFDOGOKPQA-ZDUSSCGKSA-N 1 2 382.270 3.170 10 0 GGAELO COC(=O)Cc1cc[nH+]c(N[C@@H]2CCN(c3ccccc3Br)C2)c1 ZINC000596123928 567609781 /nfs/dbraw/zinc/60/97/81/567609781.db2.gz SPZZJDVUKIWNKB-CQSZACIVSA-N 1 2 390.281 3.250 10 0 GGAELO Brc1ccc2[nH]c(CN3CC[NH+](Cc4ccco4)CC3)nc2c1 ZINC000480516402 567609636 /nfs/dbraw/zinc/60/96/36/567609636.db2.gz SRGWKOPOOCNLBK-UHFFFAOYSA-N 1 2 375.270 3.236 10 0 GGAELO Brc1ccc2nc(CN3CC[NH+](Cc4ccco4)CC3)[nH]c2c1 ZINC000480516402 567609643 /nfs/dbraw/zinc/60/96/43/567609643.db2.gz SRGWKOPOOCNLBK-UHFFFAOYSA-N 1 2 375.270 3.236 10 0 GGAELO Cc1cc(NCCCCn2cc(Br)cn2)nc(-c2ccncc2)[nH+]1 ZINC000480522260 567609670 /nfs/dbraw/zinc/60/96/70/567609670.db2.gz MKJGTWSDCPBCNO-UHFFFAOYSA-N 1 2 387.285 3.120 10 0 GGAELO CC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ncc(Br)cn2)c2ccccc21 ZINC000621762799 567610386 /nfs/dbraw/zinc/61/03/86/567610386.db2.gz KWBRTCCZKOPYSW-NHYWBVRUSA-N 1 2 375.270 3.388 10 0 GGAELO Brc1ccc(CN2CC[NH+](Cc3cnc(C4CC4)nc3)CC2)cc1 ZINC000459300625 567612746 /nfs/dbraw/zinc/61/27/46/567612746.db2.gz LWMHLHRJAFCDKP-UHFFFAOYSA-N 1 2 387.325 3.434 10 0 GGAELO C[C@@H]1C[C@H](NS(=O)(=O)c2cccc(Br)c2Cl)c2[nH+]ccn21 ZINC000572091476 567613384 /nfs/dbraw/zinc/61/33/84/567613384.db2.gz IEFJDZHIPCGDRB-SCZZXKLOSA-N 1 2 390.690 3.283 10 0 GGAELO O=C1C[C@H](c2ccccc2)[N@H+](Cc2cccc(O)c2Br)CCN1 ZINC000459333654 567614562 /nfs/dbraw/zinc/61/45/62/567614562.db2.gz ZOBKTMOAVIDPSQ-OAHLLOKOSA-N 1 2 375.266 3.218 10 0 GGAELO O=C1C[C@H](c2ccccc2)[N@@H+](Cc2cccc(O)c2Br)CCN1 ZINC000459333654 567614568 /nfs/dbraw/zinc/61/45/68/567614568.db2.gz ZOBKTMOAVIDPSQ-OAHLLOKOSA-N 1 2 375.266 3.218 10 0 GGAELO Cc1cc(Br)cc(Cl)c1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000480594854 567614576 /nfs/dbraw/zinc/61/45/76/567614576.db2.gz JSTIMNXRYFZOBM-UHFFFAOYSA-N 1 2 389.721 3.252 10 0 GGAELO Cc1cc(Br)cc(Cl)c1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000480594854 567614582 /nfs/dbraw/zinc/61/45/82/567614582.db2.gz JSTIMNXRYFZOBM-UHFFFAOYSA-N 1 2 389.721 3.252 10 0 GGAELO Cc1cc(Br)cc(Cl)c1C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000480598548 567614641 /nfs/dbraw/zinc/61/46/41/567614641.db2.gz TVZFHNVERVEMAF-VXGBXAGGSA-N 1 2 389.721 3.250 10 0 GGAELO 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10 0 GGAELO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)c1ccc(Br)cc1Br ZINC000508094388 567729283 /nfs/dbraw/zinc/72/92/83/567729283.db2.gz HTPGSBSTXOPYDV-SECBINFHSA-N 1 2 399.086 3.222 10 0 GGAELO O=C(C[NH+]1CCC(n2cc(Br)cn2)CC1)Nc1ccccc1F ZINC000597995594 567731913 /nfs/dbraw/zinc/73/19/13/567731913.db2.gz HDAFSEOQSRUHFL-UHFFFAOYSA-N 1 2 381.249 3.060 10 0 GGAELO Cc1cc(Br)cn2cc(CCNC(=O)COc3ccsc3)[nH+]c12 ZINC000554529454 567733498 /nfs/dbraw/zinc/73/34/98/567733498.db2.gz SUODEQDSGQOGOK-UHFFFAOYSA-N 1 2 394.294 3.204 10 0 GGAELO Cn1c(C2CCC2)nnc1N1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000508184449 567735549 /nfs/dbraw/zinc/73/55/49/567735549.db2.gz IDUBHKQYHXJWQX-UHFFFAOYSA-N 1 2 390.329 3.167 10 0 GGAELO O=S(=O)(c1cnccc1C(F)(F)F)N(CC(F)(F)F)c1cc[nH+]cc1 ZINC000443158755 567736168 /nfs/dbraw/zinc/73/61/68/567736168.db2.gz XCRFZYZTLKNYER-UHFFFAOYSA-N 1 2 385.289 3.253 10 0 GGAELO C[C@@H](NC(=O)NC(C)(C)COc1ncc(Cl)cc1Cl)c1[nH+]ccn1C ZINC000667251340 567737928 /nfs/dbraw/zinc/73/79/28/567737928.db2.gz IGALGLOLQLUPHY-SNVBAGLBSA-N 1 2 386.283 3.340 10 0 GGAELO C[C@H](NC(=O)N1CCOC[C@@H]1c1ccc(Br)cc1)c1[nH+]ccn1C ZINC000667246684 567737991 /nfs/dbraw/zinc/73/79/91/567737991.db2.gz NBZTZTQZJOMELO-SWLSCSKDSA-N 1 2 393.285 3.027 10 0 GGAELO C[C@@H](NC(=O)N(CCCO)Cc1ccc(Cl)c(Cl)c1)c1[nH+]ccn1C ZINC000667256228 567739463 /nfs/dbraw/zinc/73/94/63/567739463.db2.gz HKMFDAFALNAMAC-GFCCVEGCSA-N 1 2 385.295 3.382 10 0 GGAELO CC[C@H](C)[C@@H](NS(=O)(=O)c1ccccc1Cn1cc[nH+]c1)C(F)(F)F ZINC000443205600 567739869 /nfs/dbraw/zinc/73/98/69/567739869.db2.gz DAAZMAAKXRWHOJ-SWLSCSKDSA-N 1 2 375.416 3.187 10 0 GGAELO O=C(NCC/C=C\c1ccc(Br)cc1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000623909183 567745477 /nfs/dbraw/zinc/74/54/77/567745477.db2.gz JYVGSCKAIYSDTF-SWQCVOCJSA-N 1 2 389.297 3.363 10 0 GGAELO COc1ccc(Br)cc1C(=O)N1CCN(c2c[nH+]ccc2C)CC1 ZINC000532993816 567745540 /nfs/dbraw/zinc/74/55/40/567745540.db2.gz MXNBHBDZFWOMBV-UHFFFAOYSA-N 1 2 390.281 3.124 10 0 GGAELO O=C(NCC/C=C/c1ccc(Br)cc1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000623909184 567745736 /nfs/dbraw/zinc/74/57/36/567745736.db2.gz JYVGSCKAIYSDTF-VQRJYJFOSA-N 1 2 389.297 3.363 10 0 GGAELO CN(C)c1ccc(CNC(=O)[C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)c[nH+]1 ZINC000623978959 567751691 /nfs/dbraw/zinc/75/16/91/567751691.db2.gz LKGVJLCLZTVLGL-FHLIZLRMSA-N 1 2 386.293 3.112 10 0 GGAELO Nc1nccc([C@H]2CCC[N@H+](Cc3cc(Br)cc(F)c3F)C2)n1 ZINC000574043403 567752415 /nfs/dbraw/zinc/75/24/15/567752415.db2.gz LPMZIAORTLGGEV-JTQLQIEISA-N 1 2 383.240 3.309 10 0 GGAELO Nc1nccc([C@H]2CCC[N@@H+](Cc3cc(Br)cc(F)c3F)C2)n1 ZINC000574043403 567752422 /nfs/dbraw/zinc/75/24/22/567752422.db2.gz LPMZIAORTLGGEV-JTQLQIEISA-N 1 2 383.240 3.309 10 0 GGAELO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)[N@@H+]2Cc2c(F)cccc2Br)O1 ZINC000554848924 567752848 /nfs/dbraw/zinc/75/28/48/567752848.db2.gz SUCYGAUKLMSLHD-XGVBPZLHSA-N 1 2 386.261 3.272 10 0 GGAELO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)[N@H+]2Cc2c(F)cccc2Br)O1 ZINC000554848924 567752850 /nfs/dbraw/zinc/75/28/50/567752850.db2.gz SUCYGAUKLMSLHD-XGVBPZLHSA-N 1 2 386.261 3.272 10 0 GGAELO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)[N@@H+]2Cc2c(F)cccc2Br)O1 ZINC000554848923 567753019 /nfs/dbraw/zinc/75/30/19/567753019.db2.gz SUCYGAUKLMSLHD-UGGSBELWSA-N 1 2 386.261 3.272 10 0 GGAELO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)[N@H+]2Cc2c(F)cccc2Br)O1 ZINC000554848923 567753022 /nfs/dbraw/zinc/75/30/22/567753022.db2.gz SUCYGAUKLMSLHD-UGGSBELWSA-N 1 2 386.261 3.272 10 0 GGAELO C[C@@H]1CCCN(C(=O)C2CC[NH+](Cc3c(F)cncc3Br)CC2)C1 ZINC000667531528 567755608 /nfs/dbraw/zinc/75/56/08/567755608.db2.gz JXJKGSHABUDOFS-CYBMUJFWSA-N 1 2 398.320 3.454 10 0 GGAELO O=C(NC1CC[NH+](Cc2c(F)cncc2Br)CC1)c1ccsc1 ZINC000667555478 567756725 /nfs/dbraw/zinc/75/67/25/567756725.db2.gz BOMGMCWIOYMMBQ-UHFFFAOYSA-N 1 2 398.301 3.439 10 0 GGAELO Cc1occc1C(=O)NC1CC[NH+](Cc2c(F)cncc2Br)CC1 ZINC000667591394 567758134 /nfs/dbraw/zinc/75/81/34/567758134.db2.gz RCLKNGFLNPPLCE-UHFFFAOYSA-N 1 2 396.260 3.279 10 0 GGAELO Oc1cccc(C[NH+]2CCN(Cc3c(F)cncc3Br)CC2)c1 ZINC000667573533 567758154 /nfs/dbraw/zinc/75/81/54/567758154.db2.gz HHHOCPQQSQRRML-UHFFFAOYSA-N 1 2 380.261 3.007 10 0 GGAELO O=C(NCC/C=C\c1ccc(Br)cc1)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000624087432 567759290 /nfs/dbraw/zinc/75/92/90/567759290.db2.gz WZZOBJCUYLMXPK-BGGTVIOKSA-N 1 2 389.297 3.432 10 0 GGAELO O=C(NCC/C=C\c1ccc(Br)cc1)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000624087432 567759291 /nfs/dbraw/zinc/75/92/91/567759291.db2.gz WZZOBJCUYLMXPK-BGGTVIOKSA-N 1 2 389.297 3.432 10 0 GGAELO COC[C@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)s1)c1cccc(Cl)c1 ZINC000554982458 567761582 /nfs/dbraw/zinc/76/15/82/567761582.db2.gz MXVGLFKSHNZHES-HNNXBMFYSA-N 1 2 388.942 3.129 10 0 GGAELO O=C1CCCCN1CC1CC[NH+](Cc2c(F)cncc2Br)CC1 ZINC000667655348 567762836 /nfs/dbraw/zinc/76/28/36/567762836.db2.gz CGWHUOQGYQVXFO-UHFFFAOYSA-N 1 2 384.293 3.208 10 0 GGAELO C[C@H](C(=O)N1CCSc2ccccc21)[N@@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000574202568 567762880 /nfs/dbraw/zinc/76/28/80/567762880.db2.gz JFAKUWQHMHSZNX-UKRRQHHQSA-N 1 2 376.913 3.311 10 0 GGAELO C[C@H](C(=O)N1CCSc2ccccc21)[N@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000574202568 567762886 /nfs/dbraw/zinc/76/28/86/567762886.db2.gz JFAKUWQHMHSZNX-UKRRQHHQSA-N 1 2 376.913 3.311 10 0 GGAELO COc1ccc(CCC(=O)N2CCC(n3cc[nH+]c3)CC2)c(Br)c1 ZINC000667666500 567762943 /nfs/dbraw/zinc/76/29/43/567762943.db2.gz OKHZBMZIXWSSKI-UHFFFAOYSA-N 1 2 392.297 3.451 10 0 GGAELO Cc1cn2c([nH+]1)C[C@@H](C(=O)N[C@H](C)Cc1ccc(Br)cc1)CC2 ZINC000624165435 567765027 /nfs/dbraw/zinc/76/50/27/567765027.db2.gz CGTVFXMCWQMZBI-DOMZBBRYSA-N 1 2 376.298 3.264 10 0 GGAELO O=S(=O)(CCc1cccc(Cl)c1)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000508858399 567770575 /nfs/dbraw/zinc/77/05/75/567770575.db2.gz ICGDHYOLJMVGHE-UHFFFAOYSA-N 1 2 384.288 3.303 10 0 GGAELO Cc1nccc(C[NH+]2CCN(Cc3ccc(Br)c(F)c3)CC2)n1 ZINC000508872378 567771542 /nfs/dbraw/zinc/77/15/42/567771542.db2.gz HBSLNTQEPKQJPH-UHFFFAOYSA-N 1 2 379.277 3.004 10 0 GGAELO Clc1ccccc1C[NH+]1CCN(c2nnc(C3CCOCC3)s2)CC1 ZINC000555167276 567773190 /nfs/dbraw/zinc/77/31/90/567773190.db2.gz DTJLMAXZSSUXOJ-UHFFFAOYSA-N 1 2 378.929 3.408 10 0 GGAELO C[C@@H](NC(=O)C(=O)Nc1ccc2[nH+]ccn2c1)c1cc(Cl)ccc1Cl ZINC000574348656 567773285 /nfs/dbraw/zinc/77/32/85/567773285.db2.gz SFYXJFKELRXYEB-SNVBAGLBSA-N 1 2 377.231 3.457 10 0 GGAELO C[N@H+](CCC(F)(F)F)[C@@H](CNC(=O)C1CC(=O)C1)c1ccc(Cl)cc1 ZINC000574345132 567773564 /nfs/dbraw/zinc/77/35/64/567773564.db2.gz VKFKPGOVVLJFGQ-HNNXBMFYSA-N 1 2 376.806 3.361 10 0 GGAELO C[N@@H+](CCC(F)(F)F)[C@@H](CNC(=O)C1CC(=O)C1)c1ccc(Cl)cc1 ZINC000574345132 567773568 /nfs/dbraw/zinc/77/35/68/567773568.db2.gz VKFKPGOVVLJFGQ-HNNXBMFYSA-N 1 2 376.806 3.361 10 0 GGAELO C[C@H](C(=O)N1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1)[NH+]1CCSCC1 ZINC000533548450 567774098 /nfs/dbraw/zinc/77/40/98/567774098.db2.gz AVPUISCJQPMAKL-WBMJQRKESA-N 1 2 378.929 3.317 10 0 GGAELO C[N@@H+]1C[C@H]2CCN(Cc3cc(Br)c(O)c(Br)c3)[C@@H]2C1 ZINC000668186574 567799343 /nfs/dbraw/zinc/79/93/43/567799343.db2.gz MHHRWRNLFGRQMD-ZWNOBZJWSA-N 1 2 390.119 3.053 10 0 GGAELO CCc1ccc(C[NH+]2CCN(S(=O)(=O)CCc3cccs3)CC2)s1 ZINC000443907305 567780405 /nfs/dbraw/zinc/78/04/05/567780405.db2.gz LULQLGBRPBQOHB-UHFFFAOYSA-N 1 2 384.592 3.062 10 0 GGAELO CC(C)(CNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1)c1cccc(Br)c1 ZINC000667884732 567780459 /nfs/dbraw/zinc/78/04/59/567780459.db2.gz BIRZGRVKKBQAQI-LBPRGKRZSA-N 1 2 376.298 3.371 10 0 GGAELO CC(C)(CNC(=O)[C@H]1CCc2[nH]c[nH+]c2C1)c1cccc(Br)c1 ZINC000667884732 567780463 /nfs/dbraw/zinc/78/04/63/567780463.db2.gz BIRZGRVKKBQAQI-LBPRGKRZSA-N 1 2 376.298 3.371 10 0 GGAELO CO[C@@H]1CC[C@@H]2OCC[N@H+](CC[S@@](=O)c3cc(Cl)ccc3Cl)[C@H]2C1 ZINC000533669826 567780696 /nfs/dbraw/zinc/78/06/96/567780696.db2.gz LXDRIAUJGKBWIH-SZKRDEBKSA-N 1 2 392.348 3.369 10 0 GGAELO CO[C@@H]1CC[C@@H]2OCC[N@@H+](CC[S@@](=O)c3cc(Cl)ccc3Cl)[C@H]2C1 ZINC000533669826 567780698 /nfs/dbraw/zinc/78/06/98/567780698.db2.gz LXDRIAUJGKBWIH-SZKRDEBKSA-N 1 2 392.348 3.369 10 0 GGAELO C[N@H+]1C[C@H]2CCN(Cc3cc(Br)c(O)c(Br)c3)[C@@H]2C1 ZINC000668186574 567799345 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3.116 10 0 GGAELO C[C@H](NC(=O)C[NH+]1CCN(c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 ZINC000057833017 1407732596 /nfs/dbraw/zinc/73/25/96/1407732596.db2.gz CVHCFTCKJZXETN-HNNXBMFYSA-N 1 2 375.875 3.479 10 0 GGAELO Fc1cccc(Cl)c1[C@@H](CNC(=S)NC1CCOCC1)[NH+]1CCCC1 ZINC000057956119 1407761554 /nfs/dbraw/zinc/76/15/54/1407761554.db2.gz FHZLCRIDORIUJG-MRXNPFEDSA-N 1 2 385.936 3.259 10 0 GGAELO C[C@H]1CN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC[N@@H+]1Cc1ccccc1 ZINC000062690583 1408291004 /nfs/dbraw/zinc/29/10/04/1408291004.db2.gz HTOLHIXRHPIVQJ-SFHVURJKSA-N 1 2 384.545 3.460 10 0 GGAELO C[C@H]1CN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC[N@H+]1Cc1ccccc1 ZINC000062690583 1408291017 /nfs/dbraw/zinc/29/10/17/1408291017.db2.gz HTOLHIXRHPIVQJ-SFHVURJKSA-N 1 2 384.545 3.460 10 0 GGAELO C[N@H+](CCC(F)(F)F)CC(=O)NCc1cccc(COCc2ccco2)c1 ZINC000064635738 1408589195 /nfs/dbraw/zinc/58/91/95/1408589195.db2.gz ADSNCAJAPVDPNI-UHFFFAOYSA-N 1 2 384.398 3.497 10 0 GGAELO C[N@@H+](CCC(F)(F)F)CC(=O)NCc1cccc(COCc2ccco2)c1 ZINC000064635738 1408589206 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ADIKTCLYWQESJW-YOEHRIQHSA-N 1 2 377.872 3.285 10 0 GGAELO Cc1c(C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)nnn1-c1ccccc1Cl ZINC000123664963 1414805887 /nfs/dbraw/zinc/80/58/87/1414805887.db2.gz BABMFXSQHLEKHY-CXAGYDPISA-N 1 2 384.871 3.149 10 0 GGAELO Cc1c(C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)nnn1-c1ccccc1Cl ZINC000123665169 1414805946 /nfs/dbraw/zinc/80/59/46/1414805946.db2.gz BABMFXSQHLEKHY-GUYCJALGSA-N 1 2 384.871 3.149 10 0 GGAELO Cc1c(C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)nnn1-c1ccccc1Cl ZINC000123665381 1414806056 /nfs/dbraw/zinc/80/60/56/1414806056.db2.gz BABMFXSQHLEKHY-DYVFJYSZSA-N 1 2 384.871 3.149 10 0 GGAELO C[C@H]1CCN(C(=O)C(=O)Nc2ccccc2OC2CCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000177708711 1428839533 /nfs/dbraw/zinc/83/95/33/1428839533.db2.gz GMLDJFAQQKYGBC-LPHOPBHVSA-N 1 2 396.491 3.253 10 0 GGAELO COc1ccccc1-c1nn(C)cc1C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000124037238 1414874205 /nfs/dbraw/zinc/87/42/05/1414874205.db2.gz DXYJCKKDAPNIHM-MAUKXSAKSA-N 1 2 379.464 3.016 10 0 GGAELO C[C@@H]1CCN(C(=O)C2(CNC(=O)OC(C)(C)C)CCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000124041644 1414874924 /nfs/dbraw/zinc/87/49/24/1414874924.db2.gz BMXNIDYQQGCYRL-SJORKVTESA-N 1 2 390.528 3.378 10 0 GGAELO C[C@H]1CCN(C(=O)C2(CNC(=O)OC(C)(C)C)CCCC2)C[C@H]1n1cc[nH+]c1 ZINC000124042260 1414874945 /nfs/dbraw/zinc/87/49/45/1414874945.db2.gz BMXNIDYQQGCYRL-DLBZAZTESA-N 1 2 390.528 3.378 10 0 GGAELO CC[NH+](CC)Cc1nc(C2(NC(=O)c3sc(C)nc3C)CCCC2)no1 ZINC000124239860 1414917468 /nfs/dbraw/zinc/91/74/68/1414917468.db2.gz AURJXCLCVQUWNM-UHFFFAOYSA-N 1 2 377.514 3.184 10 0 GGAELO CC[NH+](CC)Cc1nc(C2(NC(=O)c3cccc(COC)c3)CCCC2)no1 ZINC000124244419 1414918008 /nfs/dbraw/zinc/91/80/08/1414918008.db2.gz GRVBGJXNMGPYSV-UHFFFAOYSA-N 1 2 386.496 3.257 10 0 GGAELO CCS(=O)(=O)c1ccc2oc(=S)n(C[N@H+](C)CC3CCOCC3)c2c1 ZINC000124638433 1415010819 /nfs/dbraw/zinc/01/08/19/1415010819.db2.gz IFCJZFMPYKRWBU-UHFFFAOYSA-N 1 2 384.523 3.073 10 0 GGAELO CCS(=O)(=O)c1ccc2oc(=S)n(C[N@@H+](C)CC3CCOCC3)c2c1 ZINC000124638433 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GHUBKGBQHOWZKP-LJQANCHMSA-N 1 2 395.503 3.056 10 0 GGAELO CC(C)[C@H](C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)S(=O)(=O)C1CCCCC1 ZINC000126284142 1415402937 /nfs/dbraw/zinc/40/29/37/1415402937.db2.gz CDGMWKVMSAXXRM-NZSAHSFTSA-N 1 2 395.569 3.065 10 0 GGAELO O=C(c1cccc(NCc2ccc(-n3cc[nH+]c3)cc2)c1)N1CCC[C@@H](O)C1 ZINC000127019179 1415639307 /nfs/dbraw/zinc/63/93/07/1415639307.db2.gz HUMDLEFYQKOLDM-OAQYLSRUSA-N 1 2 376.460 3.081 10 0 GGAELO CC[NH+](CC)Cc1nc(C2(NC(=O)Cc3ccc(F)c(F)c3)CCCC2)no1 ZINC000127218496 1415691344 /nfs/dbraw/zinc/69/13/44/1415691344.db2.gz DXNSDCDVLQGCGR-UHFFFAOYSA-N 1 2 392.450 3.318 10 0 GGAELO CCN(CC)C(=O)c1ccc(NC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000127564680 1415810565 /nfs/dbraw/zinc/81/05/65/1415810565.db2.gz APWNPFVBMURLRI-LJQANCHMSA-N 1 2 382.464 3.249 10 0 GGAELO C[C@@H]1CCN(C(=O)[C@@H]2CCCN2C(=O)OCc2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000128482376 1415997418 /nfs/dbraw/zinc/99/74/18/1415997418.db2.gz GHHKACCVYHOIMF-YZGWKJHDSA-N 1 2 396.491 3.094 10 0 GGAELO C[C@H]1CCN(C(=O)Nc2ccc(CN3CCCC3=O)cc2)C[C@H]1n1cc[nH+]c1 ZINC000128597841 1416022006 /nfs/dbraw/zinc/02/20/06/1416022006.db2.gz CZWYUQHISJYSKJ-QFBILLFUSA-N 1 2 381.480 3.121 10 0 GGAELO COCCOc1ccc(NC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1F ZINC000129125904 1416151635 /nfs/dbraw/zinc/15/16/35/1416151635.db2.gz HGKHACVBKUESGO-PBHICJAKSA-N 1 2 376.432 3.162 10 0 GGAELO O=C(Nc1cc(C(F)(F)F)ccc1F)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000129339196 1416193570 /nfs/dbraw/zinc/19/35/70/1416193570.db2.gz AYGAAZXSMYUTOX-CYBMUJFWSA-N 1 2 375.366 3.173 10 0 GGAELO COC(=O)C(C)(C)c1ccc(NC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000130915542 1416480426 /nfs/dbraw/zinc/48/04/26/1416480426.db2.gz BJTWLKDHEXDTIU-QAPCUYQASA-N 1 2 384.480 3.449 10 0 GGAELO Cc1c(NC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cccc1N1CCOC1=O ZINC000131185275 1416520840 /nfs/dbraw/zinc/52/08/40/1416520840.db2.gz DDEZHOPOTSTQOE-KDOFPFPSSA-N 1 2 383.452 3.263 10 0 GGAELO Cc1ccc(NC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1N1CCOC1=O ZINC000131306713 1416537627 /nfs/dbraw/zinc/53/76/27/1416537627.db2.gz GMFYBJKVUUNURX-CRAIPNDOSA-N 1 2 383.452 3.263 10 0 GGAELO O=C(c1ccc(-n2cnc3ccccc32)nc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000131457038 1416560738 /nfs/dbraw/zinc/56/07/38/1416560738.db2.gz GUVGZBLFMHFYHE-UHFFFAOYSA-N 1 2 397.482 3.379 10 0 GGAELO COc1cc(Br)c(C[NH2+]Cc2cccc3c2OCO3)c(OC)c1 ZINC000131711640 1416602195 /nfs/dbraw/zinc/60/21/95/1416602195.db2.gz AGGMYLKYWVIGJY-UHFFFAOYSA-N 1 2 380.238 3.485 10 0 GGAELO C[C@@H]1CCN(C(=O)Nc2cccn(Cc3ccccc3)c2=O)C[C@@H]1n1cc[nH+]c1 ZINC000131889194 1416642713 /nfs/dbraw/zinc/64/27/13/1416642713.db2.gz DCALVCCFXDBBJL-XLIONFOSSA-N 1 2 391.475 3.208 10 0 GGAELO C[C@H]1CCN(c2cnn(Cc3ccccc3)c(=O)c2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000134149313 1417029616 /nfs/dbraw/zinc/02/96/16/1417029616.db2.gz BDJHUUJBRBFZQU-YJBOKZPZSA-N 1 2 383.883 3.229 10 0 GGAELO Cc1ccc(C[NH2+]Cc2cnc(N3CCN(C)CC3)nc2)c(OCCC(C)C)c1 ZINC000134403710 1417065219 /nfs/dbraw/zinc/06/52/19/1417065219.db2.gz HJTUSNWEAIOYMC-UHFFFAOYSA-N 1 2 397.567 3.252 10 0 GGAELO C[C@@H](CNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1nc(-c2ccccc2)no1 ZINC000134591332 1417093283 /nfs/dbraw/zinc/09/32/83/1417093283.db2.gz CTPSMUIVLNZGCD-MAUKXSAKSA-N 1 2 393.447 3.098 10 0 GGAELO COc1ccc(-c2n[nH]cc2CNc2ccc(N3CCC(CO)CC3)c[nH+]2)cc1 ZINC000150924013 1417836109 /nfs/dbraw/zinc/83/61/09/1417836109.db2.gz CUQJHZKHYXSZQA-UHFFFAOYSA-N 1 2 393.491 3.301 10 0 GGAELO OCC1CCN(c2ccc(NCc3cc(Cl)c4c(c3)OCCO4)[nH+]c2)CC1 ZINC000150932217 1417838086 /nfs/dbraw/zinc/83/80/86/1417838086.db2.gz HMRJYMKVVAVSHH-UHFFFAOYSA-N 1 2 389.883 3.327 10 0 GGAELO Cc1ccn(-c2ccccc2NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)n1 ZINC000151043650 1417861361 /nfs/dbraw/zinc/86/13/61/1417861361.db2.gz ILMJEOQKZRNYJQ-UHFFFAOYSA-N 1 2 376.464 3.498 10 0 GGAELO Cc1nc(-c2ccc(S(=O)(=O)N3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)cc2)co1 ZINC000151246205 1417902479 /nfs/dbraw/zinc/90/24/79/1417902479.db2.gz ASYWJDTYBDOEKZ-IFXJQAMLSA-N 1 2 386.477 3.118 10 0 GGAELO 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Cc1cc[nH+]c(NNC(=O)C(=O)Nc2cc(Cl)ccc2OCC2CCC2)c1 ZINC000190974899 1432541552 /nfs/dbraw/zinc/54/15/52/1432541552.db2.gz CJDAXZFFKLMVOR-UHFFFAOYSA-N 1 2 388.855 3.304 10 0 GGAELO O=C(CCn1cc[nH+]c1)Nc1cccc(C(=O)Nc2ccc3c(c2)CCO3)c1 ZINC000194176168 1433132261 /nfs/dbraw/zinc/13/22/61/1433132261.db2.gz FLFUBKLLMOUQGG-UHFFFAOYSA-N 1 2 376.416 3.099 10 0 GGAELO O[C@@H](C[NH+]1CCN(c2nc3ccccc3s2)CC1)c1cc(F)ccc1F ZINC000194200965 1433137457 /nfs/dbraw/zinc/13/74/57/1433137457.db2.gz SNSBOBAXBUEVJK-KRWDZBQOSA-N 1 2 375.444 3.430 10 0 GGAELO CC(C)(C)OC(=O)N1CCC[N@H+](Cc2ccc(Br)cc2N)CC1 ZINC000230019562 1433372426 /nfs/dbraw/zinc/37/24/26/1433372426.db2.gz PVDHDQWRCHRTPX-UHFFFAOYSA-N 1 2 384.318 3.474 10 0 GGAELO CC(C)(C)OC(=O)N1CCC[N@@H+](Cc2ccc(Br)cc2N)CC1 ZINC000230019562 1433372429 /nfs/dbraw/zinc/37/24/29/1433372429.db2.gz PVDHDQWRCHRTPX-UHFFFAOYSA-N 1 2 384.318 3.474 10 0 GGAELO COc1ccc(-n2ccc(C[NH2+]Cc3cc(OC)c(OC)cc3OC)n2)cc1 ZINC000237520749 1433407788 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392.507 3.238 10 0 GGAELO Fc1cccc(C[NH+]2CCC(F)(c3nc(-c4cnccn4)no3)CC2)c1F ZINC000257192111 1433894464 /nfs/dbraw/zinc/89/44/64/1433894464.db2.gz SIRJGGKTPYOALW-UHFFFAOYSA-N 1 2 375.354 3.266 10 0 GGAELO Cc1ccc(-c2n[nH]cc2CN2CC(F)(F)C[C@H]2C[NH+]2CCOCC2)cc1C ZINC000257192974 1433894649 /nfs/dbraw/zinc/89/46/49/1433894649.db2.gz WTMWOIWRWOEAPB-IBGZPJMESA-N 1 2 390.478 3.235 10 0 GGAELO CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@H+](C)C[C@H]2OCCc3ccccc32)c1 ZINC000263672777 1434018576 /nfs/dbraw/zinc/01/85/76/1434018576.db2.gz GODQCKVNKKAROL-YCRPNKLZSA-N 1 2 381.476 3.218 10 0 GGAELO CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@@H+](C)C[C@H]2OCCc3ccccc32)c1 ZINC000263672777 1434018577 /nfs/dbraw/zinc/01/85/77/1434018577.db2.gz GODQCKVNKKAROL-YCRPNKLZSA-N 1 2 381.476 3.218 10 0 GGAELO Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000263776429 1434032542 /nfs/dbraw/zinc/03/25/42/1434032542.db2.gz GCMWWIZXKXMAIE-VAWYXSNFSA-N 1 2 375.476 3.352 10 0 GGAELO O=C(CCOC1CCOCC1)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000267747396 1434460696 /nfs/dbraw/zinc/46/06/96/1434460696.db2.gz BANTXVAQJZCVTL-GOSISDBHSA-N 1 2 398.906 3.318 10 0 GGAELO C[C@@H]1CN(c2ccc(NC(=O)N3CC[C@H](C)[C@@H](n4cc[nH+]c4)C3)cn2)C[C@@H](C)O1 ZINC000268320351 1434512023 /nfs/dbraw/zinc/51/20/23/1434512023.db2.gz FLWIQZBQSKFPTI-FAJBIJEISA-N 1 2 398.511 3.007 10 0 GGAELO C[C@@H]1CCN(C(=O)CSc2ccc(C(F)(F)F)cn2)C[C@H]1n1cc[nH+]c1 ZINC000268354938 1434515079 /nfs/dbraw/zinc/51/50/79/1434515079.db2.gz FEIJNYSNYYIZIE-TZMCWYRMSA-N 1 2 384.427 3.499 10 0 GGAELO CC1CCN(c2cccc(NC(=O)N3CCC[C@@H]3C[NH+]3CCOCC3)c2)CC1 ZINC000269414175 1434641336 /nfs/dbraw/zinc/64/13/36/1434641336.db2.gz BUPNRHGHSFMZRA-OAQYLSRUSA-N 1 2 386.540 3.251 10 0 GGAELO O=C(Nc1cccc(Oc2ccccn2)c1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000269422443 1434643154 /nfs/dbraw/zinc/64/31/54/1434643154.db2.gz DZTCIUJUZOUJLR-GOSISDBHSA-N 1 2 382.464 3.202 10 0 GGAELO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)/C=C/c2ccc(C(F)(F)F)cc2)CCO1 ZINC000276159762 1435194775 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HMQUXQAPVCSKNK-UHFFFAOYSA-N 1 2 385.541 3.016 10 0 GGAELO CC[N@H+](CCC1CCN(C(=O)c2cccc(Nc3nn[nH]n3)c2)CC1)CC(C)C ZINC001137792966 1443247830 /nfs/dbraw/zinc/24/78/30/1443247830.db2.gz ZEDOLYZFHJJPJS-UHFFFAOYSA-N 1 2 399.543 3.164 10 0 GGAELO CC[N@@H+](CCC1CCN(C(=O)c2cccc(Nc3nn[nH]n3)c2)CC1)CC(C)C ZINC001137792966 1443247833 /nfs/dbraw/zinc/24/78/33/1443247833.db2.gz ZEDOLYZFHJJPJS-UHFFFAOYSA-N 1 2 399.543 3.164 10 0 GGAELO Cc1c(C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)cnn1-c1cc(C)ccc1C ZINC000122984349 231025520 /nfs/dbraw/zinc/02/55/20/231025520.db2.gz WPCWJKVPIINHHC-FQEVSTJZSA-N 1 2 396.535 3.124 10 0 GGAELO CO[C@@H]1O[C@H]2c3cc4c(cc3CC[N@@H+](C)[C@H]2c2ccc3c(c21)OCO3)OCO4 ZINC000014686681 291127631 /nfs/dbraw/zinc/12/76/31/291127631.db2.gz XRBIHOLQAKITPP-IRFCIJBXSA-N 1 2 383.400 3.090 10 0 biogenic,in-vitro GGAELO CO[C@@H]1O[C@H]2c3cc4c(cc3CC[N@H+](C)[C@H]2c2ccc3c(c21)OCO3)OCO4 ZINC000014686681 291127634 /nfs/dbraw/zinc/12/76/34/291127634.db2.gz XRBIHOLQAKITPP-IRFCIJBXSA-N 1 2 383.400 3.090 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379.489 3.191 10 0 GGAELO COc1cccc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)c1OC ZINC000008428461 221040914 /nfs/dbraw/zinc/04/09/14/221040914.db2.gz OBRLFWPEHUBXHI-AWEZNQCLSA-N 1 2 385.464 3.121 10 0 GGAELO COc1cccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)c1OC ZINC000008428461 221040916 /nfs/dbraw/zinc/04/09/16/221040916.db2.gz OBRLFWPEHUBXHI-AWEZNQCLSA-N 1 2 385.464 3.121 10 0 GGAELO COc1cc(CCC2CC[NH+](CC(=O)Nc3cc(C)on3)CC2)cc(OC)c1 ZINC000008851744 221061035 /nfs/dbraw/zinc/06/10/35/221061035.db2.gz ABEAZSQJSNMSRX-UHFFFAOYSA-N 1 2 387.480 3.284 10 0 GGAELO CCCC[NH+](CC(=O)NCc1ccccc1C)CC(=O)NCc1ccccc1C ZINC000008848789 221061383 /nfs/dbraw/zinc/06/13/83/221061383.db2.gz QOKQIMNWWIJXRE-UHFFFAOYSA-N 1 2 395.547 3.338 10 0 GGAELO O=C(C1CCN(c2[nH]c3ccccc3[nH+]2)CC1)N1CCN(c2ccccc2)CC1 ZINC000008599429 221045615 /nfs/dbraw/zinc/04/56/15/221045615.db2.gz XURNZCYWOMHCNB-UHFFFAOYSA-N 1 2 389.503 3.128 10 0 GGAELO C[C@@H]1C[C@@H]1c1ccc(C[N@H+](C)CC(=O)Nc2ccccc2C(=O)NC2CC2)o1 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10 0 GGAELO CN(CN1C(=O)c2ccccc2C1=O)[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000012740386 221222407 /nfs/dbraw/zinc/22/24/07/221222407.db2.gz IBWOCKHREKNDFA-SFHVURJKSA-N 1 2 394.862 3.348 10 0 GGAELO COc1ccc(C(=O)C2CC[NH+](CC(=O)Nc3ccnn3C(C)C)CC2)cc1 ZINC000012738733 221222556 /nfs/dbraw/zinc/22/25/56/221222556.db2.gz XCUQVNGFOBTEIN-UHFFFAOYSA-N 1 2 384.480 3.006 10 0 GGAELO CCc1[nH+]c(SCC(=O)N2CCCC2=O)nc(N)c1-c1ccc(Cl)cc1 ZINC000012752890 221225753 /nfs/dbraw/zinc/22/57/53/221225753.db2.gz SDSQIJSASBRBFO-UHFFFAOYSA-N 1 2 390.896 3.183 10 0 GGAELO C[C@H](NC(=O)/C=C/c1ccccc1)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000012760448 221226828 /nfs/dbraw/zinc/22/68/28/221226828.db2.gz KPCHXRRHWGTPNK-OFAQMXQXSA-N 1 2 398.532 3.286 10 0 GGAELO Fc1ccc(-n2ncc3c2nc[nH+]c3NC[C@@H]2COc3ccccc3O2)cc1 ZINC000012770537 221228972 /nfs/dbraw/zinc/22/89/72/221228972.db2.gz RPHGJYPNBZIRKL-OAHLLOKOSA-N 1 2 377.379 3.207 10 0 GGAELO CC(=O)c1ccccc1NC(=O)C[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000012902850 221243926 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Cc1ccc(NC(=O)C[NH+]2CCC(C(=O)N3CCCCCC3)CC2)c(F)c1 ZINC000012977592 221251461 /nfs/dbraw/zinc/25/14/61/221251461.db2.gz ACVSXZKKQKHAFF-UHFFFAOYSA-N 1 2 375.488 3.187 10 0 GGAELO CCOc1ccccc1C[N@H+](C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C ZINC000012979823 221251856 /nfs/dbraw/zinc/25/18/56/221251856.db2.gz LXMZAFCPGCTSTN-INIZCTEOSA-N 1 2 381.476 3.281 10 0 GGAELO CCOc1ccccc1C[N@@H+](C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C ZINC000012979823 221251858 /nfs/dbraw/zinc/25/18/58/221251858.db2.gz LXMZAFCPGCTSTN-INIZCTEOSA-N 1 2 381.476 3.281 10 0 GGAELO CC[C@@H](C)NC(=O)CSc1nnc([C@@H](CC)[NH+](C)C)n1Cc1ccccc1 ZINC000012991976 221253789 /nfs/dbraw/zinc/25/37/89/221253789.db2.gz OBTZBTPGVPFLGW-NVXWUHKLSA-N 1 2 389.569 3.346 10 0 GGAELO CC[C@H](c1nnc(SCC(=O)N[C@@H](C)CC)n1Cc1ccccc1)[NH+](C)C ZINC000012991979 221254557 /nfs/dbraw/zinc/25/45/57/221254557.db2.gz OBTZBTPGVPFLGW-DOTOQJQBSA-N 1 2 389.569 3.346 10 0 GGAELO C[C@@]1(c2ccc3c(c2)CCC3)NC(=O)N(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)C1=O ZINC000012908311 221245226 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NDHGQYSVVHYLOR-UHFFFAOYSA-N 1 2 391.519 3.261 10 0 GGAELO Fc1ccccc1NC(=S)N(CCC[NH+]1CCOCC1)Cc1cccnc1 ZINC000013573453 221274774 /nfs/dbraw/zinc/27/47/74/221274774.db2.gz SYZPTVIRBMHHGV-UHFFFAOYSA-N 1 2 388.512 3.142 10 0 GGAELO c1ccc2c(c1)C=C(CN(CCC[NH+]1CCOCC1)Cc1cccnc1)CO2 ZINC000013569053 221274994 /nfs/dbraw/zinc/27/49/94/221274994.db2.gz VALDOBOWDNJXPC-UHFFFAOYSA-N 1 2 379.504 3.082 10 0 GGAELO C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[NH+]1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000014075535 221297118 /nfs/dbraw/zinc/29/71/18/221297118.db2.gz JPMPEMFUNNKWSN-OWCLPIDISA-N 1 2 398.473 3.115 10 0 GGAELO COc1ccc(-c2cc(C[N@H+](C)CC(=O)Nc3cccc(OC)c3)on2)cc1 ZINC000014162981 221301541 /nfs/dbraw/zinc/30/15/41/221301541.db2.gz BWHDTZHPGHPAHH-UHFFFAOYSA-N 1 2 381.432 3.429 10 0 GGAELO COc1ccc(-c2cc(C[N@@H+](C)CC(=O)Nc3cccc(OC)c3)on2)cc1 ZINC000014162981 221301543 /nfs/dbraw/zinc/30/15/43/221301543.db2.gz BWHDTZHPGHPAHH-UHFFFAOYSA-N 1 2 381.432 3.429 10 0 GGAELO C[C@]1(C2CC2)NC(=O)N(C[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2)C1=O ZINC000014202054 221304900 /nfs/dbraw/zinc/30/49/00/221304900.db2.gz DMSFTNSYTCPTQA-GHTZIAJQSA-N 1 2 381.501 3.374 10 0 GGAELO C[C@]1(C2CC2)NC(=O)N(C[N@H+]2CCc3sccc3[C@@H]2c2ccccc2)C1=O ZINC000014202054 221304903 /nfs/dbraw/zinc/30/49/03/221304903.db2.gz DMSFTNSYTCPTQA-GHTZIAJQSA-N 1 2 381.501 3.374 10 0 GGAELO COc1ccc(C[N@H+](C)Cc2nc(-c3ccc(OC)c(OC)c3)no2)cc1OC ZINC000015298068 221333690 /nfs/dbraw/zinc/33/36/90/221333690.db2.gz RMBUXWGHLSJBLN-UHFFFAOYSA-N 1 2 399.447 3.403 10 0 GGAELO COc1ccc(C[N@@H+](C)Cc2nc(-c3ccc(OC)c(OC)c3)no2)cc1OC ZINC000015298068 221333692 /nfs/dbraw/zinc/33/36/92/221333692.db2.gz RMBUXWGHLSJBLN-UHFFFAOYSA-N 1 2 399.447 3.403 10 0 GGAELO O=C(NC[C@H](c1cccnc1)[NH+]1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000015674451 221338478 /nfs/dbraw/zinc/33/84/78/221338478.db2.gz GWIXRVSXBBBVLO-HSZRJFAPSA-N 1 2 386.499 3.375 10 0 GGAELO O=C(c1ccco1)N1Cc2[nH+]c[nH]c2C[C@H]1c1nc(-c2ccc(F)cc2)no1 ZINC000015676051 221338813 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COc1cc(Br)ccc1C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000125183181 564505413 /nfs/dbraw/zinc/50/54/13/564505413.db2.gz ACKDXVNLFJWNDQ-WFASDCNBSA-N 1 2 378.270 3.378 10 0 GGAELO COc1cc(Br)ccc1C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000125183416 564505646 /nfs/dbraw/zinc/50/56/46/564505646.db2.gz ACKDXVNLFJWNDQ-IUODEOHRSA-N 1 2 378.270 3.378 10 0 GGAELO CC(C)OC(=O)[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000125383536 564512728 /nfs/dbraw/zinc/51/27/28/564512728.db2.gz WBFBKWTZLNKNAS-DOMZBBRYSA-N 1 2 376.280 3.149 10 0 GGAELO CC(C)OC(=O)[C@@H]1CCC[N@H+]1C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000125383536 564512734 /nfs/dbraw/zinc/51/27/34/564512734.db2.gz WBFBKWTZLNKNAS-DOMZBBRYSA-N 1 2 376.280 3.149 10 0 GGAELO C[C@H]1CCN(C(=O)COc2cccc(Br)c2)C[C@@H]1n1cc[nH+]c1 ZINC000125609154 564519952 /nfs/dbraw/zinc/51/99/52/564519952.db2.gz DOWHQRKPIRQIOR-BBRMVZONSA-N 1 2 378.270 3.134 10 0 GGAELO C[N@H+](Cc1nc(-c2ccoc2)no1)[C@H](CO)c1cccc(Br)c1 ZINC000125656623 564521594 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564704520 /nfs/dbraw/zinc/70/45/20/564704520.db2.gz PWBJNEVRGXRGLE-HOTGVXAUSA-N 1 2 382.892 3.223 10 0 GGAELO C[N@H+]1CC[C@H](NC(=O)NCCc2cscn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000131208039 564704521 /nfs/dbraw/zinc/70/45/21/564704521.db2.gz PWBJNEVRGXRGLE-HOTGVXAUSA-N 1 2 382.892 3.223 10 0 GGAELO CC(C)Cn1cc[nH+]c1CNC(=O)[C@H](C)Oc1ccccc1Br ZINC000131282618 564707048 /nfs/dbraw/zinc/70/70/48/564707048.db2.gz OYKLHSWTTZCCNY-ZDUSSCGKSA-N 1 2 380.286 3.385 10 0 GGAELO CC(C)Cn1cc[nH+]c1CNC(=O)[C@@H](C)Oc1ccccc1Br ZINC000131282393 564707124 /nfs/dbraw/zinc/70/71/24/564707124.db2.gz OYKLHSWTTZCCNY-CYBMUJFWSA-N 1 2 380.286 3.385 10 0 GGAELO C[C@@H](NC(=O)NCc1ccc[nH+]c1N(C)C)c1cccc(Br)c1 ZINC000061915523 564709620 /nfs/dbraw/zinc/70/96/20/564709620.db2.gz AHGSIPARBVGNRB-GFCCVEGCSA-N 1 2 377.286 3.471 10 0 GGAELO COc1cc([C@H](C)[NH2+][C@H](C(N)=O)c2cccc(Br)c2)ccc1F ZINC000131383226 564709930 /nfs/dbraw/zinc/70/99/30/564709930.db2.gz KYEWHHFPFZPPCH-QFYYESIMSA-N 1 2 381.245 3.474 10 0 GGAELO Cn1ncc2c1nc(NCC1(c3ccccc3Br)CCC1)[nH+]c2N ZINC000488686503 564717390 /nfs/dbraw/zinc/71/73/90/564717390.db2.gz ILDXXXSPASSRQZ-UHFFFAOYSA-N 1 2 387.285 3.242 10 0 GGAELO Cc1c(Br)c2ccccc2n1CC(=O)NCCCn1cc[nH+]c1 ZINC000063663099 564720333 /nfs/dbraw/zinc/72/03/33/564720333.db2.gz LAAHOXPLCBEJFW-UHFFFAOYSA-N 1 2 375.270 3.115 10 0 GGAELO CSc1cc(C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)c(Cl)cc1Cl ZINC000131692125 564720268 /nfs/dbraw/zinc/72/02/68/564720268.db2.gz GAONIWXTYWOBSE-NSHDSACASA-N 1 2 375.321 3.262 10 0 GGAELO CSc1cc(C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)c(Cl)cc1Cl ZINC000131692324 564720416 /nfs/dbraw/zinc/72/04/16/564720416.db2.gz GAONIWXTYWOBSE-LLVKDONJSA-N 1 2 375.321 3.262 10 0 GGAELO O=C(NCc1cccc(Br)c1)NCc1cccnc1-n1cc[nH+]c1 ZINC000063796885 564723518 /nfs/dbraw/zinc/72/35/18/564723518.db2.gz GHVRSPCWBOWDKS-UHFFFAOYSA-N 1 2 386.253 3.029 10 0 GGAELO Cc1noc([C@H](C)N2CC[NH+](Cc3cccc(Br)c3C)CC2)n1 ZINC000131839768 564726121 /nfs/dbraw/zinc/72/61/21/564726121.db2.gz GQDVSPPTVUORTE-ZDUSSCGKSA-N 1 2 379.302 3.328 10 0 GGAELO C[N@H+](CCc1cccs1)Cc1coc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000132266443 564738576 /nfs/dbraw/zinc/73/85/76/564738576.db2.gz IXJKYNCTDSGQEP-UHFFFAOYSA-N 1 2 376.503 3.481 10 0 GGAELO C[N@@H+](CCc1cccs1)Cc1coc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000132266443 564738581 /nfs/dbraw/zinc/73/85/81/564738581.db2.gz IXJKYNCTDSGQEP-UHFFFAOYSA-N 1 2 376.503 3.481 10 0 GGAELO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1Cc1cc2c(cc1Br)OCCO2 ZINC000065296487 564741727 /nfs/dbraw/zinc/74/17/27/564741727.db2.gz GQQXETJHPHDCJP-OAHLLOKOSA-N 1 2 397.313 3.053 10 0 GGAELO CCN(CC)C(=O)[C@H]1CCC[N@H+]1Cc1cc2c(cc1Br)OCCO2 ZINC000065296487 564741731 /nfs/dbraw/zinc/74/17/31/564741731.db2.gz GQQXETJHPHDCJP-OAHLLOKOSA-N 1 2 397.313 3.053 10 0 GGAELO O=C(CSCc1ccc(Br)cc1F)NCCNc1cccc[nH+]1 ZINC000065308675 564742927 /nfs/dbraw/zinc/74/29/27/564742927.db2.gz YXBMOOISQOZOHF-UHFFFAOYSA-N 1 2 398.301 3.445 10 0 GGAELO O=C(c1ccc(Br)c(O)c1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000132819245 564754023 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C[C@H]1C[N@H+]([C@@H](CNC(=O)CSCc2cscn2)c2cccs2)CCO1 ZINC000133293449 564769109 /nfs/dbraw/zinc/76/91/09/564769109.db2.gz XVGHHIOXEGJCER-ZFWWWQNUSA-N 1 2 397.591 3.016 10 0 GGAELO Cc1cc(Br)ccc1S(=O)(=O)NCc1[nH+]ccn1CC(C)C ZINC000133488656 564776028 /nfs/dbraw/zinc/77/60/28/564776028.db2.gz RUMRMKFIMDMGRV-UHFFFAOYSA-N 1 2 386.315 3.089 10 0 GGAELO COC(=O)c1cc(I)cc(NCc2[nH+]ccn2C(C)C)c1 ZINC000133628550 564781145 /nfs/dbraw/zinc/78/11/45/564781145.db2.gz RBYDASRXEZWQKA-UHFFFAOYSA-N 1 2 399.232 3.467 10 0 GGAELO CN(C)c1[nH+]cccc1CNC(=O)Cc1c[nH]c2cc(Br)ccc12 ZINC000133942715 564790023 /nfs/dbraw/zinc/79/00/23/564790023.db2.gz VBWJPJAVGDQEGQ-UHFFFAOYSA-N 1 2 387.281 3.250 10 0 GGAELO Cc1cc(N2CC[NH+](Cc3cccc(Cl)c3Cl)CC2)n2ncnc2n1 ZINC000067374270 564790213 /nfs/dbraw/zinc/79/02/13/564790213.db2.gz NFGUUYOOPNXLGP-UHFFFAOYSA-N 1 2 377.279 3.062 10 0 GGAELO Cc1noc([C@@H](C)N2CC[NH+](C[C@H](O)c3ccc(Cl)cc3Cl)CC2)n1 ZINC000134323436 564800151 /nfs/dbraw/zinc/80/01/51/564800151.db2.gz MDKYEPFNHMXMLO-BZNIZROVSA-N 1 2 385.295 3.097 10 0 GGAELO COCc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H]1CCc2c1c(Br)ccc2F ZINC000134440512 564803158 /nfs/dbraw/zinc/80/31/58/564803158.db2.gz QCYBUMOYPCKMMC-KGLIPLIRSA-N 1 2 395.276 3.438 10 0 GGAELO O=C(NCCc1cn2c([nH+]1)CCCC2)c1c[nH]c2cccc(Br)c21 ZINC000135039347 564822142 /nfs/dbraw/zinc/82/21/42/564822142.db2.gz YJVOIQBAAYRZCB-UHFFFAOYSA-N 1 2 387.281 3.436 10 0 GGAELO CCN1CCC[C@H]([NH2+]Cc2ncc(Br)cc2Br)C1 ZINC000135296714 564827034 /nfs/dbraw/zinc/82/70/34/564827034.db2.gz SOSNDTRNYBMGSS-NSHDSACASA-N 1 2 377.124 3.181 10 0 GGAELO Cc1oc(Br)cc1C(=O)NCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000529844686 564853309 /nfs/dbraw/zinc/85/33/09/564853309.db2.gz CEERHXYHZMCDMH-UHFFFAOYSA-N 1 2 381.274 3.414 10 0 GGAELO O=C(NCc1ccnc(-n2cc[nH+]c2)c1)c1c[nH]c2cccc(Br)c21 ZINC000137287528 564861435 /nfs/dbraw/zinc/86/14/35/564861435.db2.gz QHTCPHMARZJNGT-UHFFFAOYSA-N 1 2 396.248 3.441 10 0 GGAELO C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)[NH+]1CCC(OCCCO)CC1 ZINC000079093050 564866877 /nfs/dbraw/zinc/86/68/77/564866877.db2.gz DSZHJZVDMVGWJJ-GFCCVEGCSA-N 1 2 375.296 3.184 10 0 GGAELO CC(C)c1nncn1CCNC(=O)[C@H](c1cc(Cl)cc(Cl)c1)[NH+](C)C ZINC000084632884 564869294 /nfs/dbraw/zinc/86/92/94/564869294.db2.gz TVBFNKWECAIVCU-HNNXBMFYSA-N 1 2 384.311 3.127 10 0 GGAELO C[C@@H](Cc1cccc(Br)c1)NC(=O)NCc1ccc[nH+]c1N(C)C ZINC000140896894 564872073 /nfs/dbraw/zinc/87/20/73/564872073.db2.gz JBRIYYBRBGTDKW-ZDUSSCGKSA-N 1 2 391.313 3.341 10 0 GGAELO O=C1C[C@@H](c2ccccc2)[N@H+](Cc2cc(O)ccc2Br)CCN1 ZINC000092076021 564873881 /nfs/dbraw/zinc/87/38/81/564873881.db2.gz RQTRKVLVGMMGSM-KRWDZBQOSA-N 1 2 375.266 3.218 10 0 GGAELO O=C1C[C@@H](c2ccccc2)[N@@H+](Cc2cc(O)ccc2Br)CCN1 ZINC000092076021 564873884 /nfs/dbraw/zinc/87/38/84/564873884.db2.gz RQTRKVLVGMMGSM-KRWDZBQOSA-N 1 2 375.266 3.218 10 0 GGAELO CCC(=O)N[C@@H]1CCC[N@H+](Cc2cc(Br)c3c(c2)OCCCO3)C1 ZINC000092705136 564879709 /nfs/dbraw/zinc/87/97/09/564879709.db2.gz NZZCFXVLNPZCLY-CQSZACIVSA-N 1 2 397.313 3.101 10 0 GGAELO CCC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Br)c3c(c2)OCCCO3)C1 ZINC000092705136 564879713 /nfs/dbraw/zinc/87/97/13/564879713.db2.gz NZZCFXVLNPZCLY-CQSZACIVSA-N 1 2 397.313 3.101 10 0 GGAELO COc1cc(C[N@H+](C)Cc2cnccn2)cc(Br)c1OC(F)F ZINC000092590714 564879895 /nfs/dbraw/zinc/87/98/95/564879895.db2.gz WGFLZDDLCGLSQE-UHFFFAOYSA-N 1 2 388.212 3.481 10 0 GGAELO COc1cc(C[N@@H+](C)Cc2cnccn2)cc(Br)c1OC(F)F ZINC000092590714 564879897 /nfs/dbraw/zinc/87/98/97/564879897.db2.gz WGFLZDDLCGLSQE-UHFFFAOYSA-N 1 2 388.212 3.481 10 0 GGAELO Brc1ccc(-c2c[nH]c(C[NH+]3CCC(n4cncn4)CC3)n2)cc1 ZINC000092647984 564879980 /nfs/dbraw/zinc/87/99/80/564879980.db2.gz FTEVPOVDPZSCBK-UHFFFAOYSA-N 1 2 387.285 3.268 10 0 GGAELO Cc1csc([C@H]2CN(Cc3c[nH+]c4ccc(Br)cn34)CCO2)n1 ZINC000092789773 564880918 /nfs/dbraw/zinc/88/09/18/564880918.db2.gz VOGFKELUFXBUQV-CQSZACIVSA-N 1 2 393.310 3.435 10 0 GGAELO CCCC(=O)N[C@@H]1CCC[N@H+](Cc2cc(Br)c(OC)s2)C1 ZINC000092708262 564881147 /nfs/dbraw/zinc/88/11/47/564881147.db2.gz NMODKFJXTCRXTA-LLVKDONJSA-N 1 2 375.332 3.400 10 0 GGAELO CCCC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Br)c(OC)s2)C1 ZINC000092708262 564881150 /nfs/dbraw/zinc/88/11/50/564881150.db2.gz NMODKFJXTCRXTA-LLVKDONJSA-N 1 2 375.332 3.400 10 0 GGAELO CCCC(=O)N[C@H]1CCC[N@H+](Cc2c(Br)cc(OC)cc2OC)C1 ZINC000092708249 564881196 /nfs/dbraw/zinc/88/11/96/564881196.db2.gz GELFGNFTISSRJV-ZDUSSCGKSA-N 1 2 399.329 3.347 10 0 GGAELO CCCC(=O)N[C@H]1CCC[N@@H+](Cc2c(Br)cc(OC)cc2OC)C1 ZINC000092708249 564881199 /nfs/dbraw/zinc/88/11/99/564881199.db2.gz GELFGNFTISSRJV-ZDUSSCGKSA-N 1 2 399.329 3.347 10 0 GGAELO C[C@H](C[NH+]1CCN(Cc2nccn2C)CC1)c1cccc(Br)c1 ZINC000093131988 564883452 /nfs/dbraw/zinc/88/34/52/564883452.db2.gz VQCNCSQJOSABPX-OAHLLOKOSA-N 1 2 377.330 3.104 10 0 GGAELO CCCOc1ccc(Br)cc1C[N@H+](C)[C@@H](C)[C@@H](C)S(C)(=O)=O ZINC000093420327 564885909 /nfs/dbraw/zinc/88/59/09/564885909.db2.gz LSRGZIUVNLPQOX-QWHCGFSZSA-N 1 2 392.359 3.491 10 0 GGAELO CCCOc1ccc(Br)cc1C[N@@H+](C)[C@@H](C)[C@@H](C)S(C)(=O)=O ZINC000093420327 564885912 /nfs/dbraw/zinc/88/59/12/564885912.db2.gz LSRGZIUVNLPQOX-QWHCGFSZSA-N 1 2 392.359 3.491 10 0 GGAELO CN(Cc1c[nH+]c2ccc(Br)cn12)Cc1nc(-c2cccnc2)no1 ZINC000093365318 564886206 /nfs/dbraw/zinc/88/62/06/564886206.db2.gz ODYBCEKQLGSCCM-UHFFFAOYSA-N 1 2 399.252 3.174 10 0 GGAELO O=C(CSCc1cc(-c2cccs2)on1)NCCCCn1cc[nH+]c1 ZINC000149925663 564886758 /nfs/dbraw/zinc/88/67/58/564886758.db2.gz WPPRAQJMUJQFBM-UHFFFAOYSA-N 1 2 376.507 3.429 10 0 GGAELO O[C@@]1(C(F)(F)F)CC[N@H+](Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000093611980 564888125 /nfs/dbraw/zinc/88/81/25/564888125.db2.gz QIVUKLSPZJFKBH-AWEZNQCLSA-N 1 2 390.203 3.338 10 0 GGAELO O[C@@]1(C(F)(F)F)CC[N@@H+](Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000093611980 564888132 /nfs/dbraw/zinc/88/81/32/564888132.db2.gz QIVUKLSPZJFKBH-AWEZNQCLSA-N 1 2 390.203 3.338 10 0 GGAELO O[C@]1(C(F)(F)F)CC[N@H+](Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)C1 ZINC000093611539 564888146 /nfs/dbraw/zinc/88/81/46/564888146.db2.gz GTIGGNLVYAMZSJ-GOEBONIOSA-N 1 2 379.806 3.397 10 0 GGAELO O[C@]1(C(F)(F)F)CC[N@@H+](Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)C1 ZINC000093611539 564888151 /nfs/dbraw/zinc/88/81/51/564888151.db2.gz GTIGGNLVYAMZSJ-GOEBONIOSA-N 1 2 379.806 3.397 10 0 GGAELO O[C@@]1(C(F)(F)F)CC[N@H+](Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)C1 ZINC000093611540 564888246 /nfs/dbraw/zinc/88/82/46/564888246.db2.gz GTIGGNLVYAMZSJ-HOCLYGCPSA-N 1 2 379.806 3.397 10 0 GGAELO O[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)C1 ZINC000093611540 564888252 /nfs/dbraw/zinc/88/82/52/564888252.db2.gz GTIGGNLVYAMZSJ-HOCLYGCPSA-N 1 2 379.806 3.397 10 0 GGAELO Cn1cc(-c2ccnc(/C=C/c3c[nH+]c4ccc(Br)cn34)n2)cn1 ZINC000093903066 564892191 /nfs/dbraw/zinc/89/21/91/564892191.db2.gz SNKHNUOEOHEBKW-ONEGZZNKSA-N 1 2 381.237 3.458 10 0 GGAELO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1cnn2cc(Br)cnc12 ZINC000094074982 564896408 /nfs/dbraw/zinc/89/64/08/564896408.db2.gz PITHEFHUWQIMMU-UHFFFAOYSA-N 1 2 383.209 3.134 10 0 GGAELO COc1c(Br)cc(Br)cc1C[NH2+]Cc1ncc[nH]1 ZINC000096767264 564903188 /nfs/dbraw/zinc/90/31/88/564903188.db2.gz BASWTMFMNLPNRA-UHFFFAOYSA-N 1 2 375.064 3.233 10 0 GGAELO CN1CC[NH+](Cc2cccc(NC(=O)c3coc(Br)c3)c2)CC1 ZINC000098050742 564912670 /nfs/dbraw/zinc/91/26/70/564912670.db2.gz LSOPSERUGHIKBA-UHFFFAOYSA-N 1 2 378.270 3.042 10 0 GGAELO Cc1nc(C2([NH2+]C[C@@H](O)COc3c(Cl)cccc3Cl)CCCC2)no1 ZINC000101550632 564917146 /nfs/dbraw/zinc/91/71/46/564917146.db2.gz CMRLSTRSRTXXBM-GFCCVEGCSA-N 1 2 386.279 3.484 10 0 GGAELO CCCC(=O)N[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(Br)cc2)C1 ZINC000101565048 564917300 /nfs/dbraw/zinc/91/73/00/564917300.db2.gz MTPWXJMESMXUIA-BBRMVZONSA-N 1 2 396.329 3.157 10 0 GGAELO CCCC(=O)N[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc(Br)cc2)C1 ZINC000101565048 564917304 /nfs/dbraw/zinc/91/73/04/564917304.db2.gz MTPWXJMESMXUIA-BBRMVZONSA-N 1 2 396.329 3.157 10 0 GGAELO Cn1cc(Br)cc1C[N@H+](C)CC(=O)Nc1nc2c(s1)CCCC2 ZINC000151442630 564919793 /nfs/dbraw/zinc/91/97/93/564919793.db2.gz QALUTJUHAZIZFM-UHFFFAOYSA-N 1 2 397.342 3.193 10 0 GGAELO Cn1cc(Br)cc1C[N@@H+](C)CC(=O)Nc1nc2c(s1)CCCC2 ZINC000151442630 564919798 /nfs/dbraw/zinc/91/97/98/564919798.db2.gz QALUTJUHAZIZFM-UHFFFAOYSA-N 1 2 397.342 3.193 10 0 GGAELO O=C(CC[N@@H+]1CCO[C@H](c2nccs2)C1)Nc1ccc(Br)cc1 ZINC000101587078 564919901 /nfs/dbraw/zinc/91/99/01/564919901.db2.gz VHOAIUMSCZAUQI-AWEZNQCLSA-N 1 2 396.310 3.308 10 0 GGAELO O=C(CC[N@H+]1CCO[C@H](c2nccs2)C1)Nc1ccc(Br)cc1 ZINC000101587078 564919905 /nfs/dbraw/zinc/91/99/05/564919905.db2.gz VHOAIUMSCZAUQI-AWEZNQCLSA-N 1 2 396.310 3.308 10 0 GGAELO OCCNc1nc(N2CCc3cccc(Br)c3C2)[nH+]c2ccccc21 ZINC000532054396 564928202 /nfs/dbraw/zinc/92/82/02/564928202.db2.gz FAOIQLRSAMXTOR-UHFFFAOYSA-N 1 2 399.292 3.359 10 0 GGAELO Cc1ccc(SCC(F)(F)F)c(NC(=O)NC[C@@H]2C[N@H+](C)CCO2)c1 ZINC000151722090 564934116 /nfs/dbraw/zinc/93/41/16/564934116.db2.gz RZCXFVBRPNRIGJ-GFCCVEGCSA-N 1 2 377.432 3.102 10 0 GGAELO Cc1ccc(SCC(F)(F)F)c(NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000151722090 564934121 /nfs/dbraw/zinc/93/41/21/564934121.db2.gz RZCXFVBRPNRIGJ-GFCCVEGCSA-N 1 2 377.432 3.102 10 0 GGAELO CN(C)c1[nH+]cccc1CNS(=O)(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000151782662 564936823 /nfs/dbraw/zinc/93/68/23/564936823.db2.gz QLGMRVDBHLHJSJ-UHFFFAOYSA-N 1 2 393.818 3.298 10 0 GGAELO CCn1cnnc1[C@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000103478400 564948640 /nfs/dbraw/zinc/94/86/40/564948640.db2.gz REYUBBQNGVYXMP-LBPRGKRZSA-N 1 2 382.295 3.423 10 0 GGAELO CCn1cnnc1[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000103478400 564948644 /nfs/dbraw/zinc/94/86/44/564948644.db2.gz REYUBBQNGVYXMP-LBPRGKRZSA-N 1 2 382.295 3.423 10 0 GGAELO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1CC(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000104075648 564953205 /nfs/dbraw/zinc/95/32/05/564953205.db2.gz DKQXIRUACIPBBA-DTWKUNHWSA-N 1 2 378.687 3.171 10 0 GGAELO C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1CC(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000104075648 564953208 /nfs/dbraw/zinc/95/32/08/564953208.db2.gz DKQXIRUACIPBBA-DTWKUNHWSA-N 1 2 378.687 3.171 10 0 GGAELO CCn1cc(C2CC[NH+]([C@H](C(N)=O)c3ccc(Br)cc3)CC2)cn1 ZINC000104681471 564958609 /nfs/dbraw/zinc/95/86/09/564958609.db2.gz DVMHVPVILMRVLQ-KRWDZBQOSA-N 1 2 391.313 3.072 10 0 GGAELO Cc1cc(Br)ccc1NC(=O)C[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000152553483 564963505 /nfs/dbraw/zinc/96/35/05/564963505.db2.gz IOXJJHQTHSESBJ-INIZCTEOSA-N 1 2 390.281 3.244 10 0 GGAELO Cc1cc(Br)ccc1NC(=O)C[N@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000152553483 564963507 /nfs/dbraw/zinc/96/35/07/564963507.db2.gz IOXJJHQTHSESBJ-INIZCTEOSA-N 1 2 390.281 3.244 10 0 GGAELO CCCN(C(=O)NC[C@@H]1C[N@H+](C)CCO1)[C@H](C)c1ccccc1Br ZINC000105282140 564964150 /nfs/dbraw/zinc/96/41/50/564964150.db2.gz ZJOHLWOUXKWBQS-HUUCEWRRSA-N 1 2 398.345 3.262 10 0 GGAELO CCCN(C(=O)NC[C@@H]1C[N@@H+](C)CCO1)[C@H](C)c1ccccc1Br ZINC000105282140 564964154 /nfs/dbraw/zinc/96/41/54/564964154.db2.gz ZJOHLWOUXKWBQS-HUUCEWRRSA-N 1 2 398.345 3.262 10 0 GGAELO CCCCc1noc([C@@H](C)S(=O)(=O)Cc2cn3cc(Cl)ccc3[nH+]2)n1 ZINC000105714455 564973256 /nfs/dbraw/zinc/97/32/56/564973256.db2.gz CQUUSZIWZJNMKM-LLVKDONJSA-N 1 2 382.873 3.389 10 0 GGAELO CN(c1cccnn1)C1CC[NH+](Cc2ccc(F)c(Br)c2)CC1 ZINC000106083267 564976930 /nfs/dbraw/zinc/97/69/30/564976930.db2.gz YTLOBSKWGDCOPE-UHFFFAOYSA-N 1 2 379.277 3.479 10 0 GGAELO O=C(Nc1ccc(Cl)cc1Br)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000152912209 564977227 /nfs/dbraw/zinc/97/72/27/564977227.db2.gz QCAOLEUDWWRHGE-GFCCVEGCSA-N 1 2 388.693 3.041 10 0 GGAELO Cc1ncc(C[NH+]2CCN(Cc3cc(Cl)c4c(c3)OCCO4)CC2)s1 ZINC000106091010 564977817 /nfs/dbraw/zinc/97/78/17/564977817.db2.gz BDSSVALNVXFLRU-UHFFFAOYSA-N 1 2 379.913 3.194 10 0 GGAELO Cc1ncc(C[NH+]2CCN(CC(=O)Nc3cc(Cl)ccc3F)CC2)s1 ZINC000106091407 564978043 /nfs/dbraw/zinc/97/80/43/564978043.db2.gz KWMKXIDQERSNDK-UHFFFAOYSA-N 1 2 382.892 3.000 10 0 GGAELO CCc1noc([C@@H](C)N2CC[NH+](Cc3ccccc3Br)CC2)n1 ZINC000106140338 564979676 /nfs/dbraw/zinc/97/96/76/564979676.db2.gz OLIQCIGOMLPTNT-CYBMUJFWSA-N 1 2 379.302 3.273 10 0 GGAELO Cc1noc([C@H](C)N2CC[NH+](CCOc3cc(Cl)ccc3Cl)CC2)n1 ZINC000106134472 564979711 /nfs/dbraw/zinc/97/97/11/564979711.db2.gz QOEHTYKEKSTOCE-LBPRGKRZSA-N 1 2 385.295 3.442 10 0 GGAELO Cc1cnn([C@H]2CCC[N@H+](CC(=O)Nc3ccccc3Br)C2)c1 ZINC000106222751 564980153 /nfs/dbraw/zinc/98/01/53/564980153.db2.gz PWFNZIISBJFNAU-AWEZNQCLSA-N 1 2 377.286 3.230 10 0 GGAELO Cc1cnn([C@H]2CCC[N@@H+](CC(=O)Nc3ccccc3Br)C2)c1 ZINC000106222751 564980155 /nfs/dbraw/zinc/98/01/55/564980155.db2.gz PWFNZIISBJFNAU-AWEZNQCLSA-N 1 2 377.286 3.230 10 0 GGAELO Cc1cnn([C@H]2CCC[N@H+](Cc3nnc(-c4ccc(Br)o4)o3)C2)c1 ZINC000106223773 564980280 /nfs/dbraw/zinc/98/02/80/564980280.db2.gz VAIAIGZJKBVHGW-LBPRGKRZSA-N 1 2 392.257 3.434 10 0 GGAELO Cc1cnn([C@H]2CCC[N@@H+](Cc3nnc(-c4ccc(Br)o4)o3)C2)c1 ZINC000106223773 564980281 /nfs/dbraw/zinc/98/02/81/564980281.db2.gz VAIAIGZJKBVHGW-LBPRGKRZSA-N 1 2 392.257 3.434 10 0 GGAELO Cc1c(Cl)cc(NC(=O)N2CCN(Cc3[nH+]ccn3C)CC2)cc1Cl ZINC000106323960 564982067 /nfs/dbraw/zinc/98/20/67/564982067.db2.gz KDYKLEXYPMQRQA-UHFFFAOYSA-N 1 2 382.295 3.385 10 0 GGAELO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2O)C[C@H](C)O1 ZINC000106460528 564983475 /nfs/dbraw/zinc/98/34/75/564983475.db2.gz VLTAWFTUTFLLOA-XQQFMLRXSA-N 1 2 387.307 3.413 10 0 GGAELO C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2O)C[C@H](C)O1 ZINC000106460528 564983478 /nfs/dbraw/zinc/98/34/78/564983478.db2.gz VLTAWFTUTFLLOA-XQQFMLRXSA-N 1 2 387.307 3.413 10 0 GGAELO C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2O)C[C@@H](C)O1 ZINC000106460530 564983865 /nfs/dbraw/zinc/98/38/65/564983865.db2.gz VLTAWFTUTFLLOA-UPJWGTAASA-N 1 2 387.307 3.413 10 0 GGAELO CN(C[C@H](c1cccs1)[NH+]1CCOCC1)C(=O)NC[C@]1(C)CCCS1 ZINC000153193933 564987460 /nfs/dbraw/zinc/98/74/60/564987460.db2.gz MXJGMFIZAAVPDY-QAPCUYQASA-N 1 2 383.583 3.049 10 0 GGAELO O=C(CN1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1)NCC1CCC1 ZINC000153231664 564988269 /nfs/dbraw/zinc/98/82/69/564988269.db2.gz GAPLNPDTYZNCCS-UHFFFAOYSA-N 1 2 384.351 3.070 10 0 GGAELO Clc1ccc(CC[NH+]2CCN(CCOC[C@H]3CCCO3)CC2)cc1Cl ZINC000153252845 564989161 /nfs/dbraw/zinc/98/91/61/564989161.db2.gz YLNJZAKWUNPQGB-QGZVFWFLSA-N 1 2 387.351 3.349 10 0 GGAELO CCCCNC(=O)[C@@H](C)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000153254158 564989196 /nfs/dbraw/zinc/98/91/96/564989196.db2.gz WXMPFYZLCPBHTP-OAHLLOKOSA-N 1 2 386.367 3.458 10 0 GGAELO CCCCNC(=O)[C@@H](C)[NH+]1CCN(CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000153254158 564989199 /nfs/dbraw/zinc/98/91/99/564989199.db2.gz WXMPFYZLCPBHTP-OAHLLOKOSA-N 1 2 386.367 3.458 10 0 GGAELO CCC[N@@H+](Cc1nnnn1-c1ccccc1Br)C[C@@H]1CCCCO1 ZINC000106866259 564990127 /nfs/dbraw/zinc/99/01/27/564990127.db2.gz SPTHJDGBYBOVKW-AWEZNQCLSA-N 1 2 394.317 3.206 10 0 GGAELO CCC[N@H+](Cc1nnnn1-c1ccccc1Br)C[C@@H]1CCCCO1 ZINC000106866259 564990131 /nfs/dbraw/zinc/99/01/31/564990131.db2.gz SPTHJDGBYBOVKW-AWEZNQCLSA-N 1 2 394.317 3.206 10 0 GGAELO C[C@H](OC[C@@H](O)C[N@@H+]1CCO[C@H](c2nccs2)C1)c1ccc(Cl)cc1 ZINC000107074078 564994095 /nfs/dbraw/zinc/99/40/95/564994095.db2.gz FPZQMZZBZCDHIP-JQFCIGGWSA-N 1 2 382.913 3.309 10 0 GGAELO C[C@H](OC[C@@H](O)C[N@H+]1CCO[C@H](c2nccs2)C1)c1ccc(Cl)cc1 ZINC000107074078 564994099 /nfs/dbraw/zinc/99/40/99/564994099.db2.gz FPZQMZZBZCDHIP-JQFCIGGWSA-N 1 2 382.913 3.309 10 0 GGAELO CC[N@@H+]1CCc2nc(NS(=O)(=O)c3c(F)cccc3Cl)sc2C1 ZINC000153435000 564995665 /nfs/dbraw/zinc/99/56/65/564995665.db2.gz WRLIYIMRSYFBSU-UHFFFAOYSA-N 1 2 375.878 3.114 10 0 GGAELO CC[N@H+]1CCc2nc(NS(=O)(=O)c3c(F)cccc3Cl)sc2C1 ZINC000153435000 564995669 /nfs/dbraw/zinc/99/56/69/564995669.db2.gz WRLIYIMRSYFBSU-UHFFFAOYSA-N 1 2 375.878 3.114 10 0 GGAELO COc1cc(C(=O)NC2CCN(c3cccc[nH+]3)CC2)sc1Br ZINC000153601114 565002175 /nfs/dbraw/zinc/00/21/75/565002175.db2.gz UTAIVJYGQUBYRH-UHFFFAOYSA-N 1 2 396.310 3.313 10 0 GGAELO CC[C@H]1C[N@H+](CC(=O)N(C)Cc2ccc(Cl)s2)CCN1CC(F)F ZINC000153660613 565005852 /nfs/dbraw/zinc/00/58/52/565005852.db2.gz DSSKHFJZMGJPDC-LBPRGKRZSA-N 1 2 379.904 3.021 10 0 GGAELO CC[C@H]1C[N@@H+](CC(=O)N(C)Cc2ccc(Cl)s2)CCN1CC(F)F ZINC000153660613 565005856 /nfs/dbraw/zinc/00/58/56/565005856.db2.gz DSSKHFJZMGJPDC-LBPRGKRZSA-N 1 2 379.904 3.021 10 0 GGAELO Cc1c(Br)c2ccccc2n1CC(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000153745715 565008950 /nfs/dbraw/zinc/00/89/50/565008950.db2.gz POCDUJLHTCVBRT-CYBMUJFWSA-N 1 2 389.297 3.361 10 0 GGAELO O=C(c1c[nH]c2cccc(Br)c12)N1CC[NH+](Cc2ccccn2)CC1 ZINC000153753600 565009330 /nfs/dbraw/zinc/00/93/30/565009330.db2.gz SVUHBUMSAXGARB-UHFFFAOYSA-N 1 2 399.292 3.283 10 0 GGAELO Cc1cc(NC(=O)[C@H](C)N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc[nH+]1 ZINC000153787088 565011145 /nfs/dbraw/zinc/01/11/45/565011145.db2.gz IHXMDOATBHEVQA-VIFPVBQESA-N 1 2 378.215 3.320 10 0 GGAELO Cc1ccc(Br)c(C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)c1 ZINC000153918158 565017572 /nfs/dbraw/zinc/01/75/72/565017572.db2.gz WIVUKNDRRWTIIC-OAHLLOKOSA-N 1 2 381.314 3.084 10 0 GGAELO Cc1cnn(C[C@H]2CN(c3cc[nH+]c4c(Br)cccc34)CCO2)c1 ZINC000108950361 565019095 /nfs/dbraw/zinc/01/90/95/565019095.db2.gz IMRLLZNZXKVIHL-CQSZACIVSA-N 1 2 387.281 3.408 10 0 GGAELO Cc1cc(Cl)c(NC(=O)N2CCN(Cc3[nH+]ccn3C)CC2)cc1Cl ZINC000154000215 565021331 /nfs/dbraw/zinc/02/13/31/565021331.db2.gz IKYRJTJZMQRRGO-UHFFFAOYSA-N 1 2 382.295 3.385 10 0 GGAELO O=C(NCc1cn2cc(Cl)ccc2[nH+]1)c1ccc(Br)cc1O ZINC000109364263 565024950 /nfs/dbraw/zinc/02/49/50/565024950.db2.gz QWOSGBILUBKZAI-UHFFFAOYSA-N 1 2 380.629 3.386 10 0 GGAELO CC(C)(C)c1csc(C[NH+]2CCC(NS(=O)(=O)c3cccs3)CC2)n1 ZINC000154256787 565032108 /nfs/dbraw/zinc/03/21/08/565032108.db2.gz JCSSGJLMMYIHKP-UHFFFAOYSA-N 1 2 399.607 3.445 10 0 GGAELO C[N@H+](CCOc1cccc(Br)c1)Cc1nc(-c2cccnc2)no1 ZINC000154324942 565034139 /nfs/dbraw/zinc/03/41/39/565034139.db2.gz VDKPLVFQZOQVGW-UHFFFAOYSA-N 1 2 389.253 3.405 10 0 GGAELO C[N@@H+](CCOc1cccc(Br)c1)Cc1nc(-c2cccnc2)no1 ZINC000154324942 565034141 /nfs/dbraw/zinc/03/41/41/565034141.db2.gz VDKPLVFQZOQVGW-UHFFFAOYSA-N 1 2 389.253 3.405 10 0 GGAELO Cc1cc(S(=O)(=O)NCc2cc[nH+]c(N3CCCC3)c2)c(Cl)cc1F ZINC000154419193 565038370 /nfs/dbraw/zinc/03/83/70/565038370.db2.gz NOAGPZBUBZXGFO-UHFFFAOYSA-N 1 2 383.876 3.261 10 0 GGAELO OC[C@@H]1CCCN(c2cc(NCc3cc(F)cc(Br)c3)[nH+]cn2)C1 ZINC000110254746 565038590 /nfs/dbraw/zinc/03/85/90/565038590.db2.gz PDASOCBMBVCGET-GFCCVEGCSA-N 1 2 395.276 3.199 10 0 GGAELO OC[C@@H]1CCCN(c2cc(NCc3cc(F)cc(Br)c3)nc[nH+]2)C1 ZINC000110254746 565038592 /nfs/dbraw/zinc/03/85/92/565038592.db2.gz PDASOCBMBVCGET-GFCCVEGCSA-N 1 2 395.276 3.199 10 0 GGAELO O=C(c1csc(-c2cccs2)n1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000110956338 565047976 /nfs/dbraw/zinc/04/79/76/565047976.db2.gz GSUVCJZESBBOAE-CQSZACIVSA-N 1 2 377.535 3.199 10 0 GGAELO O=C(CSCc1ccc(Cl)cc1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000110956746 565048027 /nfs/dbraw/zinc/04/80/27/565048027.db2.gz OUCXLMKJRFUYFB-SFHVURJKSA-N 1 2 382.957 3.287 10 0 GGAELO Cc1ncc(C[NH+]2CCN(C(=O)Cc3cccc(Br)c3)CC2)s1 ZINC000110942485 565048065 /nfs/dbraw/zinc/04/80/65/565048065.db2.gz ZAWQIJAOXZSPKV-UHFFFAOYSA-N 1 2 394.338 3.101 10 0 GGAELO O=C(c1csc(-c2cccs2)n1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000110956342 565048143 /nfs/dbraw/zinc/04/81/43/565048143.db2.gz GSUVCJZESBBOAE-AWEZNQCLSA-N 1 2 377.535 3.199 10 0 GGAELO Cc1ncc(C[NH+]2CCN(C(=O)Cc3ccc(Br)cc3)CC2)s1 ZINC000110942170 565048164 /nfs/dbraw/zinc/04/81/64/565048164.db2.gz IVWVWJUAEKBYBN-UHFFFAOYSA-N 1 2 394.338 3.101 10 0 GGAELO O=C(COc1ccc(Cl)cc1Cl)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000110952419 565048172 /nfs/dbraw/zinc/04/81/72/565048172.db2.gz HQPYGLZTCPUUDP-HNNXBMFYSA-N 1 2 387.307 3.086 10 0 GGAELO Cc1ncc(C[NH+]2CCN(C(=O)[C@@H](C)Oc3cccc(Cl)c3)CC2)s1 ZINC000110942219 565048335 /nfs/dbraw/zinc/04/83/35/565048335.db2.gz FEWKCZYTUWVQDG-CYBMUJFWSA-N 1 2 379.913 3.217 10 0 GGAELO Cc1cc(Br)ccc1C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000110957073 565048414 /nfs/dbraw/zinc/04/84/14/565048414.db2.gz IKSCUOYXXLZOQH-MRXNPFEDSA-N 1 2 381.314 3.084 10 0 GGAELO Cc1sc2nc(C[NH+]3CCCC3)nc(NCC[C@@H](C)[S@@](C)=O)c2c1C ZINC000154763972 565051555 /nfs/dbraw/zinc/05/15/55/565051555.db2.gz KCZFDCUCYFIWOK-YDBLSZJJSA-N 1 2 380.583 3.473 10 0 GGAELO Cc1sc2nc(C[NH+]3CCCC3)nc(NCC[C@H](C)[S@](C)=O)c2c1C ZINC000154763854 565051791 /nfs/dbraw/zinc/05/17/91/565051791.db2.gz KCZFDCUCYFIWOK-UOXLDJKESA-N 1 2 380.583 3.473 10 0 GGAELO O=C(CN1CCCC[C@H]1C[NH+]1CCOCC1)Nc1ccc(Cl)cc1Cl ZINC000111302253 565051913 /nfs/dbraw/zinc/05/19/13/565051913.db2.gz ODJYJNSSBWLMKH-HNNXBMFYSA-N 1 2 386.323 3.119 10 0 GGAELO COC(=O)C1([NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)CCCCC1 ZINC000111246142 565052208 /nfs/dbraw/zinc/05/22/08/565052208.db2.gz HPOKBJHQGNCWGS-GFCCVEGCSA-N 1 2 376.280 3.199 10 0 GGAELO Cc1cc(Br)ccc1CNC(=O)NCc1ccc[nH+]c1N(C)C ZINC000111455380 565054828 /nfs/dbraw/zinc/05/48/28/565054828.db2.gz NTRSLQFKPJZRHW-UHFFFAOYSA-N 1 2 377.286 3.218 10 0 GGAELO Cc1ncc(C[NH+]2CCN(C(=O)NCCc3ccc(Cl)cc3)CC2)s1 ZINC000111792377 565058031 /nfs/dbraw/zinc/05/80/31/565058031.db2.gz HDWYNKPUMUPHPD-UHFFFAOYSA-N 1 2 378.929 3.175 10 0 GGAELO Cc1ncc(C[NH+]2CCN(C(=O)NCc3ccc(F)c(Cl)c3)CC2)s1 ZINC000111849479 565058417 /nfs/dbraw/zinc/05/84/17/565058417.db2.gz JSVCEVAADOOOQH-UHFFFAOYSA-N 1 2 382.892 3.271 10 0 GGAELO C[C@H](C(=O)Nc1cccc(Cl)c1Cl)[NH+]1CCC(OCCCO)CC1 ZINC000154980287 565058710 /nfs/dbraw/zinc/05/87/10/565058710.db2.gz WKWCRYIOZCBGGY-GFCCVEGCSA-N 1 2 375.296 3.184 10 0 GGAELO OCCCOC1CC[NH+](Cc2cc(Br)ccc2OC(F)F)CC1 ZINC000155097209 565061678 /nfs/dbraw/zinc/06/16/78/565061678.db2.gz YMHQADJPVZEMHD-UHFFFAOYSA-N 1 2 394.256 3.414 10 0 GGAELO CCc1noc([C@@H](C)N2CC[NH+](Cc3cccc(Br)c3)CC2)n1 ZINC000155128454 565062686 /nfs/dbraw/zinc/06/26/86/565062686.db2.gz CISDAQHVVVYDNB-CYBMUJFWSA-N 1 2 379.302 3.273 10 0 GGAELO Cn1cc(C[N@H+](C)Cc2cc(Cl)c3c(c2)OCCO3)c(C(F)(F)F)n1 ZINC000155157009 565063327 /nfs/dbraw/zinc/06/33/27/565063327.db2.gz RXCLPDYUFVPGNO-UHFFFAOYSA-N 1 2 375.778 3.496 10 0 GGAELO Cn1cc(C[N@@H+](C)Cc2cc(Cl)c3c(c2)OCCO3)c(C(F)(F)F)n1 ZINC000155157009 565063328 /nfs/dbraw/zinc/06/33/28/565063328.db2.gz RXCLPDYUFVPGNO-UHFFFAOYSA-N 1 2 375.778 3.496 10 0 GGAELO O=C(NCc1cccnc1-n1cc[nH+]c1)N1CCc2ccc(Br)cc21 ZINC000112438369 565064076 /nfs/dbraw/zinc/06/40/76/565064076.db2.gz KIWGXKQNDBGFOR-UHFFFAOYSA-N 1 2 398.264 3.302 10 0 GGAELO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1csc(Br)c1 ZINC000155261001 565065466 /nfs/dbraw/zinc/06/54/66/565065466.db2.gz CSDPDKZWMYSCHM-UHFFFAOYSA-N 1 2 382.283 3.303 10 0 GGAELO CCn1cnnc1C1CC[NH+](CC(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000155441204 565067640 /nfs/dbraw/zinc/06/76/40/565067640.db2.gz DGCQZQZWWVONLK-UHFFFAOYSA-N 1 2 382.295 3.423 10 0 GGAELO CC(C)c1[nH+]c2c(n1C)CCN(S(=O)(=O)c1cccc(Br)c1)C2 ZINC000113299394 565069415 /nfs/dbraw/zinc/06/94/15/565069415.db2.gz NKVCEWXKWRYBLS-UHFFFAOYSA-N 1 2 398.326 3.053 10 0 GGAELO Cc1ncc(C[NH+]2CCN(C(=O)NCC(C)(C)c3cccs3)CC2)s1 ZINC000114605009 565074938 /nfs/dbraw/zinc/07/49/38/565074938.db2.gz PRAGKMUIJYIGJZ-UHFFFAOYSA-N 1 2 378.567 3.318 10 0 GGAELO CC(C)(CNC(=O)N1CCC[N@H+](Cc2cscn2)CC1)c1cccs1 ZINC000114534431 565074942 /nfs/dbraw/zinc/07/49/42/565074942.db2.gz BAZFDCWZUCFKQT-UHFFFAOYSA-N 1 2 378.567 3.400 10 0 GGAELO CC(C)(CNC(=O)N1CCC[N@@H+](Cc2cscn2)CC1)c1cccs1 ZINC000114534431 565074943 /nfs/dbraw/zinc/07/49/43/565074943.db2.gz BAZFDCWZUCFKQT-UHFFFAOYSA-N 1 2 378.567 3.400 10 0 GGAELO O=C(Nc1ccc(Br)cc1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000156307202 565079028 /nfs/dbraw/zinc/07/90/28/565079028.db2.gz NGAUGLBKEARBMH-MRXNPFEDSA-N 1 2 382.302 3.168 10 0 GGAELO Cc1nc(C(F)(F)F)c(C[NH2+][C@@H](CS(C)(=O)=O)c2ccccc2)s1 ZINC000183645385 565084699 /nfs/dbraw/zinc/08/46/99/565084699.db2.gz UGLNWQLVZKSGTM-LBPRGKRZSA-N 1 2 378.441 3.346 10 0 GGAELO CC1(C)CC[N@H+](Cc2coc(-c3ccc(S(C)(=O)=O)cc3)n2)CCS1 ZINC000369302676 565084998 /nfs/dbraw/zinc/08/49/98/565084998.db2.gz LBBPEFSFURBHJO-UHFFFAOYSA-N 1 2 380.535 3.463 10 0 GGAELO CC1(C)CC[N@@H+](Cc2coc(-c3ccc(S(C)(=O)=O)cc3)n2)CCS1 ZINC000369302676 565085003 /nfs/dbraw/zinc/08/50/03/565085003.db2.gz LBBPEFSFURBHJO-UHFFFAOYSA-N 1 2 380.535 3.463 10 0 GGAELO Cc1c(C(=O)N2CC[NH+](CCc3ccc(Cl)c(Cl)c3)CC2)cnn1C ZINC000156421624 565086192 /nfs/dbraw/zinc/08/61/92/565086192.db2.gz FNMAFKFAYPSARP-UHFFFAOYSA-N 1 2 381.307 3.036 10 0 GGAELO O=C([C@@H]1C[C@H]2CC[C@@H]1O2)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000156422708 565087079 /nfs/dbraw/zinc/08/70/79/565087079.db2.gz MMFQPHGCSQWRMH-RKVPGOIHSA-N 1 2 383.319 3.248 10 0 GGAELO CC(C)[N@H+](Cc1noc(Cc2ccc(Br)cc2)n1)[C@@H]1CCOC1 ZINC000291950574 565088596 /nfs/dbraw/zinc/08/85/96/565088596.db2.gz UNKCBGCTOAJCTI-OAHLLOKOSA-N 1 2 380.286 3.422 10 0 GGAELO CC(C)[N@@H+](Cc1noc(Cc2ccc(Br)cc2)n1)[C@@H]1CCOC1 ZINC000291950574 565088599 /nfs/dbraw/zinc/08/85/99/565088599.db2.gz UNKCBGCTOAJCTI-OAHLLOKOSA-N 1 2 380.286 3.422 10 0 GGAELO O=C(c1csc(I)c1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000369406413 565091324 /nfs/dbraw/zinc/09/13/24/565091324.db2.gz JRFPWCOMRNABOX-UHFFFAOYSA-N 1 2 387.246 3.096 10 0 GGAELO O=C(c1csc(I)c1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000369406413 565091327 /nfs/dbraw/zinc/09/13/27/565091327.db2.gz 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ZINC000157232219 565124174 /nfs/dbraw/zinc/12/41/74/565124174.db2.gz OSLQONDCMIEWJT-UHFFFAOYSA-N 1 2 375.929 3.461 10 0 GGAELO O=C(NCCNc1ncc(Cl)cc1Cl)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000370218865 565133046 /nfs/dbraw/zinc/13/30/46/565133046.db2.gz IBTPXQLVESESIJ-UHFFFAOYSA-N 1 2 383.283 3.113 10 0 GGAELO O=C(NCCNc1ncc(Cl)cc1Cl)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000370218865 565133049 /nfs/dbraw/zinc/13/30/49/565133049.db2.gz IBTPXQLVESESIJ-UHFFFAOYSA-N 1 2 383.283 3.113 10 0 GGAELO Cc1c(Br)cccc1S(=O)(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000268245059 565146058 /nfs/dbraw/zinc/14/60/58/565146058.db2.gz NOVNLHJMOILFFJ-UHFFFAOYSA-N 1 2 384.299 3.049 10 0 GGAELO CC(C)n1cc[nH+]c1C[S@@](=O)Cc1nnc(-c2ccc(Cl)cc2)n1C ZINC000184623542 565147703 /nfs/dbraw/zinc/14/77/03/565147703.db2.gz WMSTVFAUVLAXOL-RUZDIDTESA-N 1 2 377.901 3.362 10 0 GGAELO O=C(c1ccc(F)c(I)c1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000370559198 565148918 /nfs/dbraw/zinc/14/89/18/565148918.db2.gz WWUYYRQGSRYQCX-UHFFFAOYSA-N 1 2 399.207 3.173 10 0 GGAELO O=C(c1ccc(F)c(I)c1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000370559198 565148923 /nfs/dbraw/zinc/14/89/23/565148923.db2.gz WWUYYRQGSRYQCX-UHFFFAOYSA-N 1 2 399.207 3.173 10 0 GGAELO C[C@H](c1nnc(SC[C@H](O)C(F)(F)F)n1-c1ccc(F)cc1)[NH+](C)C ZINC000157917770 565149252 /nfs/dbraw/zinc/14/92/52/565149252.db2.gz XJRUENIPIHODKL-SKDRFNHKSA-N 1 2 378.395 3.044 10 0 GGAELO COc1cc(Br)ccc1CN1CC[NH+](Cc2ccncc2)CC1 ZINC000184713924 565153634 /nfs/dbraw/zinc/15/36/34/565153634.db2.gz AIOYNZAFOMZPHB-UHFFFAOYSA-N 1 2 376.298 3.171 10 0 GGAELO C[C@@](O)(C[NH+]1CCN(CC(F)F)CC1)c1ccc(Br)cc1Cl ZINC000293153260 565153707 /nfs/dbraw/zinc/15/37/07/565153707.db2.gz RADFQWADJSTSQC-OAHLLOKOSA-N 1 2 397.691 3.193 10 0 GGAELO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)c1cnn(-c2ccc(Cl)cc2Cl)c1 ZINC000370814440 565162548 /nfs/dbraw/zinc/16/25/48/565162548.db2.gz KQWJGXZCUGWTCA-GFCCVEGCSA-N 1 2 376.247 3.190 10 0 GGAELO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)c1cnn(-c2ccc(Cl)cc2Cl)c1 ZINC000370814440 565162553 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CNC(=O)c1ccc(C[N@@H+](C)Cc2nc3ccc(Br)cc3[nH]2)cc1 ZINC000184936779 565166799 /nfs/dbraw/zinc/16/67/99/565166799.db2.gz HSVXSRDURHRXOC-UHFFFAOYSA-N 1 2 387.281 3.317 10 0 GGAELO CC(C)Oc1cc(Br)ccc1C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000370903595 565166921 /nfs/dbraw/zinc/16/69/21/565166921.db2.gz VVZPTQNTPWVOAS-LBPRGKRZSA-N 1 2 378.270 3.247 10 0 GGAELO CC(C)Oc1cc(Br)ccc1C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000370903595 565166923 /nfs/dbraw/zinc/16/69/23/565166923.db2.gz VVZPTQNTPWVOAS-LBPRGKRZSA-N 1 2 378.270 3.247 10 0 GGAELO O=C1C[C@H](c2ccccc2)[N@H+](Cc2nc3cc(Br)ccc3[nH]2)CCN1 ZINC000184961353 565167707 /nfs/dbraw/zinc/16/77/07/565167707.db2.gz PFUJTZZMAXNGCW-QGZVFWFLSA-N 1 2 399.292 3.389 10 0 GGAELO O=C1C[C@H](c2ccccc2)[N@@H+](Cc2nc3cc(Br)ccc3[nH]2)CCN1 ZINC000184961353 565167711 /nfs/dbraw/zinc/16/77/11/565167711.db2.gz PFUJTZZMAXNGCW-QGZVFWFLSA-N 1 2 399.292 3.389 10 0 GGAELO Cc1nc(N2CCN(C(=O)c3cc(Cl)ccc3Br)CC2)cc[nH+]1 ZINC000184939649 565167795 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CSc1ccc(S(=O)(=O)NCc2ccnc(-n3cc[nH+]c3)c2)cc1Cl ZINC000372808051 565256134 /nfs/dbraw/zinc/25/61/34/565256134.db2.gz YGFSZKGULPQVRB-UHFFFAOYSA-N 1 2 394.909 3.121 10 0 GGAELO O=C(c1ccc(F)cc1Br)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186392307 565259157 /nfs/dbraw/zinc/25/91/57/565259157.db2.gz DWLSXSYEXBRVHB-UHFFFAOYSA-N 1 2 378.245 3.336 10 0 GGAELO COc1cc(Br)ccc1C(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186417861 565261198 /nfs/dbraw/zinc/26/11/98/565261198.db2.gz QDMAOQDVNFSZFP-UHFFFAOYSA-N 1 2 390.281 3.205 10 0 GGAELO O=C(c1cc(Br)ccc1F)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186423197 565261219 /nfs/dbraw/zinc/26/12/19/565261219.db2.gz DFSHVZDGMVEZGJ-UHFFFAOYSA-N 1 2 378.245 3.336 10 0 GGAELO O=C(Cc1ccc(F)cc1Br)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000186488279 565262847 /nfs/dbraw/zinc/26/28/47/565262847.db2.gz PPMGFRWEHKTBLP-UHFFFAOYSA-N 1 2 389.228 3.028 10 0 GGAELO C[C@@H]([NH2+][C@@H]1CCOc2c(Br)cccc21)c1nc(N)nc(Cl)n1 ZINC000295443154 565265884 /nfs/dbraw/zinc/26/58/84/565265884.db2.gz 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CCC[N@H+](CC(=O)Nc1ccc(Cl)cc1Cl)C[C@H](C)CS(C)(=O)=O ZINC000162294798 565312310 /nfs/dbraw/zinc/31/23/10/565312310.db2.gz JJBPBDHHIRSDHB-LBPRGKRZSA-N 1 2 395.352 3.325 10 0 GGAELO CCn1cc[nH+]c1CNC(=O)Nc1ccc(I)cc1C ZINC000296357718 565315283 /nfs/dbraw/zinc/31/52/83/565315283.db2.gz QIHGEWRIGIRDTL-UHFFFAOYSA-N 1 2 384.221 3.138 10 0 GGAELO C[C@@H]1C[N@H+](C[C@H](O)c2cccc(Br)c2)C[C@]2(CCO[C@H](C)C2)O1 ZINC000374017105 565316180 /nfs/dbraw/zinc/31/61/80/565316180.db2.gz IQLCHYWVHZWIRJ-KJWYOANISA-N 1 2 384.314 3.141 10 0 GGAELO C[C@@H]1C[N@@H+](C[C@H](O)c2cccc(Br)c2)C[C@]2(CCO[C@H](C)C2)O1 ZINC000374017105 565316186 /nfs/dbraw/zinc/31/61/86/565316186.db2.gz IQLCHYWVHZWIRJ-KJWYOANISA-N 1 2 384.314 3.141 10 0 GGAELO Cc1cc(Br)cn2cc(CCNC(=O)N3CCCSCC3)[nH+]c12 ZINC000273410191 565319659 /nfs/dbraw/zinc/31/96/59/565319659.db2.gz QKSKCFUEOIXWJW-UHFFFAOYSA-N 1 2 397.342 3.096 10 0 GGAELO CC[C@@H](NC(=O)N1CCC[N@H+](Cc2csc(C)n2)CC1)c1nccs1 ZINC000162634663 565323726 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O=C(N[C@H]1CCOc2c(Br)cccc21)c1ccc(-n2cc[nH+]c2)nc1 ZINC000374376657 565335204 /nfs/dbraw/zinc/33/52/04/565335204.db2.gz GBWKXSMHQLNRCQ-HNNXBMFYSA-N 1 2 399.248 3.283 10 0 GGAELO O=C(c1cc2c(cccc2Br)[nH]1)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000374389108 565336891 /nfs/dbraw/zinc/33/68/91/565336891.db2.gz RURMOVZIEQDFNF-KRWDZBQOSA-N 1 2 385.265 3.112 10 0 GGAELO CCn1cc[nH+]c1CNC(=O)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1 ZINC000296805878 565337714 /nfs/dbraw/zinc/33/77/14/565337714.db2.gz IVXYKQDLDCDKSA-SMDDNHRTSA-N 1 2 381.249 3.160 10 0 GGAELO CCn1cc[nH+]c1CNC(=O)NCc1cc2cc(Br)ccc2[nH]1 ZINC000296828564 565339207 /nfs/dbraw/zinc/33/92/07/565339207.db2.gz XWVUYMXUJIHPHC-UHFFFAOYSA-N 1 2 376.258 3.146 10 0 GGAELO FC(F)Oc1ccc(C[N@@H+]2CCO[C@]3(CCOC3)C2)cc1Br ZINC000187540717 565339562 /nfs/dbraw/zinc/33/95/62/565339562.db2.gz AEHSZUIQTIIUIC-OAHLLOKOSA-N 1 2 378.213 3.042 10 0 GGAELO FC(F)Oc1ccc(C[N@H+]2CCO[C@]3(CCOC3)C2)cc1Br ZINC000187540717 565339565 /nfs/dbraw/zinc/33/95/65/565339565.db2.gz 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ZINC000374549901 565344462 /nfs/dbraw/zinc/34/44/62/565344462.db2.gz GTKBYHKLNYRPHM-NSHDSACASA-N 1 2 380.279 3.014 10 0 GGAELO O=c1cc(C[N@H+]2CCC[C@@H]2c2ccc(Br)s2)[nH]c2ccnn21 ZINC000374613107 565347046 /nfs/dbraw/zinc/34/70/46/565347046.db2.gz RAYMYXGJUPKAQF-LLVKDONJSA-N 1 2 379.283 3.184 10 0 GGAELO O=c1cc(C[N@@H+]2CCC[C@@H]2c2ccc(Br)s2)[nH]c2ccnn21 ZINC000374613107 565347051 /nfs/dbraw/zinc/34/70/51/565347051.db2.gz RAYMYXGJUPKAQF-LLVKDONJSA-N 1 2 379.283 3.184 10 0 GGAELO Cc1cn2c([nH+]1)CN(C(=O)[C@H](C)Cc1ccc(F)c(Br)c1)CC2 ZINC000374693313 565350542 /nfs/dbraw/zinc/35/05/42/565350542.db2.gz KFYOTXYZVBCAHU-LLVKDONJSA-N 1 2 380.261 3.314 10 0 GGAELO Cc1cn2c([nH+]1)CN(C(=O)[C@@H](C)Oc1ccc(C)cc1Br)CC2 ZINC000374708900 565352061 /nfs/dbraw/zinc/35/20/61/565352061.db2.gz DEIXGHSQASSHJX-CYBMUJFWSA-N 1 2 378.270 3.072 10 0 GGAELO CCn1cc[nH+]c1CNC(=O)NCCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000297170016 565360299 /nfs/dbraw/zinc/36/02/99/565360299.db2.gz ARIWXAAYIWYQTK-UHFFFAOYSA-N 1 2 384.267 3.038 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/nfs/dbraw/zinc/36/98/01/565369801.db2.gz KEGGIWQJSJDKJK-UHFFFAOYSA-N 1 2 385.265 3.197 10 0 GGAELO CCn1c2cc(Br)ccc2[nH+]c1NCc1c(C)nn(C)c1OC ZINC000167832134 565379918 /nfs/dbraw/zinc/37/99/18/565379918.db2.gz YJHPBNHMXTVRHX-UHFFFAOYSA-N 1 2 378.274 3.481 10 0 GGAELO CN(Cc1ccc(Cl)s1)C(=O)C[N@@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375432499 565388075 /nfs/dbraw/zinc/38/80/75/565388075.db2.gz ZYXRNYMQRNDASV-GFCCVEGCSA-N 1 2 380.901 3.110 10 0 GGAELO CN(Cc1ccc(Cl)s1)C(=O)C[N@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375432499 565388083 /nfs/dbraw/zinc/38/80/83/565388083.db2.gz ZYXRNYMQRNDASV-GFCCVEGCSA-N 1 2 380.901 3.110 10 0 GGAELO C[C@@H]1CCN(C(=O)Cc2ccc(F)cc2Br)C[C@H]1n1cc[nH+]c1 ZINC000188208777 565388189 /nfs/dbraw/zinc/38/81/89/565388189.db2.gz DJLUFONKQDHVMN-MLGOLLRUSA-N 1 2 380.261 3.437 10 0 GGAELO C[C@H]1CCN(C(=O)Cc2ccc(F)cc2Br)C[C@@H]1n1cc[nH+]c1 ZINC000188208759 565388683 /nfs/dbraw/zinc/38/86/83/565388683.db2.gz DJLUFONKQDHVMN-LRDDRELGSA-N 1 2 380.261 3.437 10 0 GGAELO CCn1cc[nH+]c1CNC(=O)Nc1cc(Br)c(OC)cc1OC ZINC000297852563 565388783 /nfs/dbraw/zinc/38/87/83/565388783.db2.gz OUZPDQVTQFEADR-UHFFFAOYSA-N 1 2 383.246 3.004 10 0 GGAELO Cc1ccc(CC(=O)NC2CCN(c3cccc[nH+]3)CC2)cc1Br ZINC000188246181 565391086 /nfs/dbraw/zinc/39/10/86/565391086.db2.gz OFDLOWQUPUVJJL-UHFFFAOYSA-N 1 2 388.309 3.480 10 0 GGAELO CC(C)(C)n1cc(C[NH+]2CCN(Cc3cncc(Br)c3)CC2)cn1 ZINC000170942729 565399901 /nfs/dbraw/zinc/39/99/01/565399901.db2.gz WIJPLOYJLRANGS-UHFFFAOYSA-N 1 2 392.345 3.113 10 0 GGAELO COc1cc(Br)ccc1[C@@H](C)NC(=O)NCCCn1cc[nH+]c1 ZINC000188408258 565400279 /nfs/dbraw/zinc/40/02/79/565400279.db2.gz ZLWDEQFRGMGIGV-GFCCVEGCSA-N 1 2 381.274 3.105 10 0 GGAELO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3nc4cc(Br)ccc4o3)[C@@H]2C1 ZINC000375712430 565402643 /nfs/dbraw/zinc/40/26/43/565402643.db2.gz WWBREMGPIYBNLS-XNRPHZJLSA-N 1 2 381.270 3.359 10 0 GGAELO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3nc4cc(Br)ccc4o3)[C@@H]2C1 ZINC000375712430 565402645 /nfs/dbraw/zinc/40/26/45/565402645.db2.gz 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565404642 /nfs/dbraw/zinc/40/46/42/565404642.db2.gz QVFCKLVHLVWUJP-OAHLLOKOSA-N 1 2 380.535 3.113 10 0 GGAELO COc1cccc(S(=O)(=O)CC[N@H+]2CCC[C@@H](c3nc(C)cs3)C2)c1 ZINC000171037071 565404646 /nfs/dbraw/zinc/40/46/46/565404646.db2.gz QVFCKLVHLVWUJP-OAHLLOKOSA-N 1 2 380.535 3.113 10 0 GGAELO O=C(Nc1cccc(Br)n1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000188494382 565404755 /nfs/dbraw/zinc/40/47/55/565404755.db2.gz UNSJOOFKWHLSKQ-UHFFFAOYSA-N 1 2 376.258 3.030 10 0 GGAELO C[C@H]([NH2+]Cc1cccc(N2CCOCC2)n1)c1ncc(Br)cc1F ZINC000275378279 565406922 /nfs/dbraw/zinc/40/69/22/565406922.db2.gz XBXIONSZPMCOEN-LBPRGKRZSA-N 1 2 395.276 3.066 10 0 GGAELO C[N@@H+]1CC[C@H](NC(=O)c2cn3ccnc3s2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000188547609 565407757 /nfs/dbraw/zinc/40/77/57/565407757.db2.gz QWKITXKHMBBZGL-ZFWWWQNUSA-N 1 2 378.860 3.364 10 0 GGAELO C[N@H+]1CC[C@H](NC(=O)c2cn3ccnc3s2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000188547609 565407762 /nfs/dbraw/zinc/40/77/62/565407762.db2.gz QWKITXKHMBBZGL-ZFWWWQNUSA-N 1 2 378.860 3.364 10 0 GGAELO O=C(NCCc1ccc(Cl)cc1)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000171149330 565412407 /nfs/dbraw/zinc/41/24/07/565412407.db2.gz AMWAKYNIZIDUKS-UHFFFAOYSA-N 1 2 378.929 3.257 10 0 GGAELO O=C(NCCc1ccc(Cl)cc1)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000171149330 565412411 /nfs/dbraw/zinc/41/24/11/565412411.db2.gz AMWAKYNIZIDUKS-UHFFFAOYSA-N 1 2 378.929 3.257 10 0 GGAELO Cc1cccc(CNC(=O)NCc2ccc[nH+]c2N(C)C)c1Br ZINC000188615032 565412717 /nfs/dbraw/zinc/41/27/17/565412717.db2.gz BTKSHGQTFCOJRZ-UHFFFAOYSA-N 1 2 377.286 3.218 10 0 GGAELO O=C(c1cc(Cl)cc(Cl)c1)N1CC[NH+](C[C@H](O)CC(F)(F)F)CC1 ZINC000188623075 565414045 /nfs/dbraw/zinc/41/40/45/565414045.db2.gz KFQNHAUVXFVGOR-CYBMUJFWSA-N 1 2 385.213 3.065 10 0 GGAELO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2n[nH]c3ccc(Br)cc32)C1 ZINC000375949575 565415073 /nfs/dbraw/zinc/41/50/73/565415073.db2.gz UMKXLFAUBKWZQG-LLVKDONJSA-N 1 2 388.269 3.079 10 0 GGAELO O=C(c1ccc(Cl)cc1Cl)N1CC[NH+](C[C@H](O)CC(F)(F)F)CC1 ZINC000188714963 565418968 /nfs/dbraw/zinc/41/89/68/565418968.db2.gz 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C[N@@H+]1CC[C@H](Nc2ncc(C(N)=O)cc2Cl)[C@H]1c1ccc(Cl)c(F)c1 ZINC000301858974 565514247 /nfs/dbraw/zinc/51/42/47/565514247.db2.gz SIXXZLLJWYRIGY-LSDHHAIUSA-N 1 2 383.254 3.484 10 0 GGAELO C[N@H+]1CC[C@H](Nc2ncc(C(N)=O)cc2Cl)[C@H]1c1ccc(Cl)c(F)c1 ZINC000301858974 565514255 /nfs/dbraw/zinc/51/42/55/565514255.db2.gz SIXXZLLJWYRIGY-LSDHHAIUSA-N 1 2 383.254 3.484 10 0 GGAELO Cn1cc(-c2cccc(CNc3[nH+]cnc4c3c(Br)nn4C)c2)cn1 ZINC000301889947 565516178 /nfs/dbraw/zinc/51/61/78/565516178.db2.gz QUBHFPUKOHLRDG-UHFFFAOYSA-N 1 2 398.268 3.138 10 0 GGAELO O=C1[C@H]([N@@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)CCN1c1cccc(Cl)c1 ZINC000277729640 565516897 /nfs/dbraw/zinc/51/68/97/565516897.db2.gz JYALJTRZWMNGPE-NILFDRSVSA-N 1 2 376.806 3.081 10 0 GGAELO O=C1[C@H]([N@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)CCN1c1cccc(Cl)c1 ZINC000277729640 565516900 /nfs/dbraw/zinc/51/69/00/565516900.db2.gz JYALJTRZWMNGPE-NILFDRSVSA-N 1 2 376.806 3.081 10 0 GGAELO CC[C@H](Cc1ccccc1Br)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000378310075 565521205 /nfs/dbraw/zinc/52/12/05/565521205.db2.gz NZDHCKOLPYZBGF-TZMCWYRMSA-N 1 2 376.298 3.415 10 0 GGAELO CC[C@H](Cc1ccccc1Br)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000378310075 565521210 /nfs/dbraw/zinc/52/12/10/565521210.db2.gz NZDHCKOLPYZBGF-TZMCWYRMSA-N 1 2 376.298 3.415 10 0 GGAELO Cn1nc(Br)c2c1nc[nH+]c2N[C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000378411093 565526445 /nfs/dbraw/zinc/52/64/45/565526445.db2.gz KHGFLVQMBWWVLE-OCCSQVGLSA-N 1 2 388.269 3.316 10 0 GGAELO Cc1ccc(Br)cc1C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000173101891 565526988 /nfs/dbraw/zinc/52/69/88/565526988.db2.gz DWGUMFNDIISCKA-MRXNPFEDSA-N 1 2 381.314 3.084 10 0 GGAELO CC(=O)c1ccc(S(C)(=O)=O)c(NCc2cn3cc(Cl)ccc3[nH+]2)c1 ZINC000302109595 565530797 /nfs/dbraw/zinc/53/07/97/565530797.db2.gz SZAZZQQQWXPLMY-UHFFFAOYSA-N 1 2 377.853 3.206 10 0 GGAELO CC(C)(C)c1nc(N2CC[NH+](Cc3ccc(Br)cc3)CC2)no1 ZINC000302130061 565531818 /nfs/dbraw/zinc/53/18/18/565531818.db2.gz JXJNKLHGZJDYKD-UHFFFAOYSA-N 1 2 379.302 3.452 10 0 GGAELO Cc1c(Br)cccc1CC(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000190437420 565531973 /nfs/dbraw/zinc/53/19/73/565531973.db2.gz YGXITHVNZOVRLU-UHFFFAOYSA-N 1 2 385.265 3.197 10 0 GGAELO Cc1nc(N2CCN(c3ccc4cccc(Br)c4n3)CC2)cc[nH+]1 ZINC000302178449 565534604 /nfs/dbraw/zinc/53/46/04/565534604.db2.gz YFOMFXLPOGGHPY-UHFFFAOYSA-N 1 2 384.281 3.422 10 0 GGAELO CCc1nc(CNC(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)cs1 ZINC000190526840 565539208 /nfs/dbraw/zinc/53/92/08/565539208.db2.gz YLONZJNEZFSOKX-UHFFFAOYSA-N 1 2 378.929 3.216 10 0 GGAELO CCc1nc(CNC(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)cs1 ZINC000190526840 565539211 /nfs/dbraw/zinc/53/92/11/565539211.db2.gz YLONZJNEZFSOKX-UHFFFAOYSA-N 1 2 378.929 3.216 10 0 GGAELO C[C@H]1COCC[C@H]1[NH2+]Cc1cc(Br)c(O)c(Br)c1 ZINC000302285636 565540068 /nfs/dbraw/zinc/54/00/68/565540068.db2.gz CBEVHMHSOWDTIQ-QPUJVOFHSA-N 1 2 379.092 3.432 10 0 GGAELO O=C(C[NH+]1CCC(Oc2ccc(F)nc2)CC1)NCc1ccc(Cl)s1 ZINC000190561122 565541167 /nfs/dbraw/zinc/54/11/67/565541167.db2.gz KWRCLMNQFLPYIY-UHFFFAOYSA-N 1 2 383.876 3.095 10 0 GGAELO Cc1c(Br)cccc1C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000173308853 565546734 /nfs/dbraw/zinc/54/67/34/565546734.db2.gz UBROLATUEDRCTB-HNNXBMFYSA-N 1 2 381.314 3.084 10 0 GGAELO Cc1nc(CNC(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)sc1C ZINC000190645353 565548637 /nfs/dbraw/zinc/54/86/37/565548637.db2.gz SONAYBBFFNEDDI-UHFFFAOYSA-N 1 2 378.929 3.271 10 0 GGAELO Cc1nc(CNC(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)sc1C ZINC000190645353 565548641 /nfs/dbraw/zinc/54/86/41/565548641.db2.gz SONAYBBFFNEDDI-UHFFFAOYSA-N 1 2 378.929 3.271 10 0 GGAELO CCc1ccc(C[NH+]2CCN(c3ccc(S(=O)(=O)CC)cc3)CC2)s1 ZINC000302731780 565553572 /nfs/dbraw/zinc/55/35/72/565553572.db2.gz WQVJFKVHTZXDLE-UHFFFAOYSA-N 1 2 378.563 3.426 10 0 GGAELO C[C@H]1CN(C(=O)c2[nH]c3ccc(Cl)cc3c2Cl)C[C@H]1[NH+]1CCOCC1 ZINC000173396950 565555430 /nfs/dbraw/zinc/55/54/30/565555430.db2.gz QXXBSZYFYFMNEB-XHDPSFHLSA-N 1 2 382.291 3.267 10 0 GGAELO CC(C)Cn1cc[nH+]c1CNC(=O)NCCc1nc(C(F)(F)F)cs1 ZINC000173441705 565557232 /nfs/dbraw/zinc/55/72/32/565557232.db2.gz DSGHAXSHNZROMC-UHFFFAOYSA-N 1 2 375.420 3.056 10 0 GGAELO Cn1ncc2c1nc(NCC1(c3ccc(Br)cc3)CCC1)[nH+]c2N ZINC000302816371 565559445 /nfs/dbraw/zinc/55/94/45/565559445.db2.gz BSQSTSIZZIJBGL-UHFFFAOYSA-N 1 2 387.285 3.242 10 0 GGAELO C[C@H](CNC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1)c1nccs1 ZINC000190832546 565561658 /nfs/dbraw/zinc/56/16/58/565561658.db2.gz LJKPMPCNGQHYPP-CYBMUJFWSA-N 1 2 378.929 3.258 10 0 GGAELO C[C@H](CNC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1)c1nccs1 ZINC000190832546 565561661 /nfs/dbraw/zinc/56/16/61/565561661.db2.gz LJKPMPCNGQHYPP-CYBMUJFWSA-N 1 2 378.929 3.258 10 0 GGAELO Cn1ncc2c1nc(N1CCC[C@@H]1c1cc(F)cc(Br)c1)[nH+]c2N ZINC000302880778 565561790 /nfs/dbraw/zinc/56/17/90/565561790.db2.gz IOAZQMWITWWOKA-CYBMUJFWSA-N 1 2 391.248 3.189 10 0 GGAELO Cn1ncc2c1nc(NCCOc1c(Cl)cc(Cl)cc1Cl)[nH+]c2N ZINC000302902934 565562803 /nfs/dbraw/zinc/56/28/03/565562803.db2.gz UHQQNVDPZSXLTQ-UHFFFAOYSA-N 1 2 387.658 3.397 10 0 GGAELO Nc1[nH+]cnc(N[C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)c1Cl ZINC000302893088 565562887 /nfs/dbraw/zinc/56/28/87/565562887.db2.gz OFGIGPAMUIPMQV-MRVPVSSYSA-N 1 2 393.200 3.470 10 0 GGAELO Nc1nc[nH+]c(N[C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)c1Cl ZINC000302893088 565562892 /nfs/dbraw/zinc/56/28/92/565562892.db2.gz OFGIGPAMUIPMQV-MRVPVSSYSA-N 1 2 393.200 3.470 10 0 GGAELO Brc1ccc2c(c1)CC[C@H]2Nc1cc(N2CCOCC2)nc[nH+]1 ZINC000302889090 565563252 /nfs/dbraw/zinc/56/32/52/565563252.db2.gz MYJSXJBBNKYOPR-OAHLLOKOSA-N 1 2 375.270 3.175 10 0 GGAELO Brc1ccc2c(c1)CC[C@H]2Nc1cc(N2CCOCC2)[nH+]cn1 ZINC000302889090 565563256 /nfs/dbraw/zinc/56/32/56/565563256.db2.gz MYJSXJBBNKYOPR-OAHLLOKOSA-N 1 2 375.270 3.175 10 0 GGAELO CC[C@@H](C)C(=O)Nc1cccc(C[NH2+]Cc2c(Br)cnn2C)c1 ZINC000278537573 565564715 /nfs/dbraw/zinc/56/47/15/565564715.db2.gz SPSVOXZWQVFORH-GFCCVEGCSA-N 1 2 379.302 3.457 10 0 GGAELO Cn1ncc(Br)c1C[N@@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000278546523 565564837 /nfs/dbraw/zinc/56/48/37/565564837.db2.gz DDGPVQRZUMXBKH-SNVBAGLBSA-N 1 2 392.223 3.235 10 0 GGAELO Cn1ncc(Br)c1C[N@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000278546523 565564839 /nfs/dbraw/zinc/56/48/39/565564839.db2.gz DDGPVQRZUMXBKH-SNVBAGLBSA-N 1 2 392.223 3.235 10 0 GGAELO COc1ccc(Br)cc1CC(=O)NCCCCNc1cccc[nH+]1 ZINC000173548004 565565898 /nfs/dbraw/zinc/56/58/98/565565898.db2.gz OAVPLDMEGGVRPO-UHFFFAOYSA-N 1 2 392.297 3.404 10 0 GGAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000303127742 565566864 /nfs/dbraw/zinc/56/68/64/565566864.db2.gz REYFNQRYPFSYQS-UHFFFAOYSA-N 1 2 381.307 3.302 10 0 GGAELO Cn1ncc(Br)c1C[NH2+]Cc1ccccc1OCC(F)(F)F ZINC000278589972 565567273 /nfs/dbraw/zinc/56/72/73/565567273.db2.gz ZNFYCALCXBVIHQ-UHFFFAOYSA-N 1 2 378.192 3.414 10 0 GGAELO COc1ccc(C[NH2+]Cc2nn(C)cc2Br)cc1OC(F)F ZINC000393326091 565568138 /nfs/dbraw/zinc/56/81/38/565568138.db2.gz PPMVBWDYVGRARC-UHFFFAOYSA-N 1 2 376.201 3.082 10 0 GGAELO COc1ccc(C[NH2+]Cc2nn(C)cc2Br)c(Br)c1 ZINC000393325662 565568408 /nfs/dbraw/zinc/56/84/08/565568408.db2.gz OTUXECBUMKILTB-UHFFFAOYSA-N 1 2 389.091 3.244 10 0 GGAELO O=C1C[C@@H]([NH2+]Cc2ncc(C(F)(F)F)s2)CN1c1c(F)cccc1F ZINC000278591096 565568698 /nfs/dbraw/zinc/56/86/98/565568698.db2.gz GXXVVLHIDHCPLC-MRVPVSSYSA-N 1 2 377.338 3.335 10 0 GGAELO CC[C@@H]([NH2+]Cc1ncccc1S(C)(=O)=O)c1ccc(Br)cc1 ZINC000278670071 565571823 /nfs/dbraw/zinc/57/18/23/565571823.db2.gz GNHSRPIAJRUSLS-CQSZACIVSA-N 1 2 383.311 3.489 10 0 GGAELO O=S(=O)(NCCCCn1cc[nH+]c1)c1c(Cl)cccc1Br ZINC000314002387 565585798 /nfs/dbraw/zinc/58/57/98/565585798.db2.gz JYXXXEWDBNOPMR-UHFFFAOYSA-N 1 2 392.706 3.058 10 0 GGAELO CCn1ccnc1C[NH2+]Cc1cc(Cl)ccc1I ZINC000405448054 565587007 /nfs/dbraw/zinc/58/70/07/565587007.db2.gz NHXIDUDJKJFLSK-UHFFFAOYSA-N 1 2 375.641 3.451 10 0 GGAELO CCn1cc[nH+]c1CNCc1cc(Cl)ccc1I ZINC000405448054 565587010 /nfs/dbraw/zinc/58/70/10/565587010.db2.gz NHXIDUDJKJFLSK-UHFFFAOYSA-N 1 2 375.641 3.451 10 0 GGAELO C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173798581 565587326 /nfs/dbraw/zinc/58/73/26/565587326.db2.gz UHLSFJNWYXATIC-CJNGLKHVSA-N 1 2 386.323 3.041 10 0 GGAELO CN(C)C(=O)Sc1ccc(C[N@@H+]2CCSC[C@H]2c2cnn(C)c2)cc1 ZINC000191199117 565587671 /nfs/dbraw/zinc/58/76/71/565587671.db2.gz CPEBGALHPWBCJM-KRWDZBQOSA-N 1 2 376.551 3.484 10 0 GGAELO CN(C)C(=O)Sc1ccc(C[N@H+]2CCSC[C@H]2c2cnn(C)c2)cc1 ZINC000191199117 565587675 /nfs/dbraw/zinc/58/76/75/565587675.db2.gz CPEBGALHPWBCJM-KRWDZBQOSA-N 1 2 376.551 3.484 10 0 GGAELO C[N@H+](Cc1cc[nH]n1)Cc1cccc(Br)c1OC[C@H]1CCCO1 ZINC000191191108 565588089 /nfs/dbraw/zinc/58/80/89/565588089.db2.gz BVJQFBPBUGESOW-OAHLLOKOSA-N 1 2 380.286 3.362 10 0 GGAELO C[N@@H+](Cc1cc[nH]n1)Cc1cccc(Br)c1OC[C@H]1CCCO1 ZINC000191191108 565588091 /nfs/dbraw/zinc/58/80/91/565588091.db2.gz BVJQFBPBUGESOW-OAHLLOKOSA-N 1 2 380.286 3.362 10 0 GGAELO C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)C[C@@H]1[NH+]1CCOCC1 ZINC000173834729 565591058 /nfs/dbraw/zinc/59/10/58/565591058.db2.gz YZRNRGPUDDWMRA-BTPDRXCOSA-N 1 2 383.319 3.276 10 0 GGAELO C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)C[C@H]1[NH+]1CCOCC1 ZINC000173834759 565591115 /nfs/dbraw/zinc/59/11/15/565591115.db2.gz YZRNRGPUDDWMRA-BDQAWRDZSA-N 1 2 383.319 3.276 10 0 GGAELO O=S(=O)(c1ccc(Cl)cc1C(F)(F)F)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000173836779 565592206 /nfs/dbraw/zinc/59/22/06/565592206.db2.gz YYPWNWMYKCVIIQ-GFCCVEGCSA-N 1 2 393.818 3.409 10 0 GGAELO CCn1c(C)nnc1CN1CC[NH+]([C@H](C)c2ccc(Br)cc2)CC1 ZINC000173855033 565593087 /nfs/dbraw/zinc/59/30/87/565593087.db2.gz FUKGXICHDKMIIS-CQSZACIVSA-N 1 2 392.345 3.248 10 0 GGAELO C[C@@H]1CC(O)C[C@@H](C)[NH+]1CC(=O)Nc1ccc(Br)cc1Cl ZINC000191280479 565593619 /nfs/dbraw/zinc/59/36/19/565593619.db2.gz CVAARRGSPPXPAO-NXEZZACHSA-N 1 2 375.694 3.275 10 0 GGAELO C[C@H]([NH2+][C@@H](C(N)=O)c1ccc(Br)cc1F)c1ccc2c(c1)OCO2 ZINC000173858958 565594529 /nfs/dbraw/zinc/59/45/29/565594529.db2.gz PGMROMVUOVXSAY-XXFAHNHDSA-N 1 2 395.228 3.194 10 0 GGAELO C[C@H](CNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)c1c(Cl)cccc1Cl ZINC000173907582 565598152 /nfs/dbraw/zinc/59/81/52/565598152.db2.gz BRHGRLZJBGHEAQ-ZIAGYGMSSA-N 1 2 386.323 3.213 10 0 GGAELO CC(C)Cn1cc[nH+]c1CNC(=O)[C@@H](C)Oc1cccc(Br)c1 ZINC000173908174 565598531 /nfs/dbraw/zinc/59/85/31/565598531.db2.gz JFJYGLXWZBEKAR-CYBMUJFWSA-N 1 2 380.286 3.385 10 0 GGAELO Cc1sc(Br)cc1S(=O)(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000408253133 565600769 /nfs/dbraw/zinc/60/07/69/565600769.db2.gz WYLOINBNVGPYKI-UHFFFAOYSA-N 1 2 390.328 3.110 10 0 GGAELO CCn1cc[nH+]c1CS(=O)(=O)Cc1cc(Br)ccc1Cl ZINC000173940631 565600875 /nfs/dbraw/zinc/60/08/75/565600875.db2.gz YWCIZXQYUDGKLL-UHFFFAOYSA-N 1 2 377.691 3.434 10 0 GGAELO Cc1cc(Br)cc(C)c1S(=O)(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000408252042 565601045 /nfs/dbraw/zinc/60/10/45/565601045.db2.gz LDYIQTNALNBZGR-UHFFFAOYSA-N 1 2 398.326 3.357 10 0 GGAELO Cc1ccc(S(=O)(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1Br ZINC000408269502 565601629 /nfs/dbraw/zinc/60/16/29/565601629.db2.gz CKRDQNQWOYTWRF-CJNGLKHVSA-N 1 2 398.326 3.226 10 0 GGAELO COc1ccc(Br)cc1S(=O)(=O)Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC000320769937 565603238 /nfs/dbraw/zinc/60/32/38/565603238.db2.gz HKNZGQIXLAVSHB-UHFFFAOYSA-N 1 2 396.266 3.443 10 0 GGAELO C[C@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000408350071 565605507 /nfs/dbraw/zinc/60/55/07/565605507.db2.gz XFAFRHMJFCRHIJ-ACJLOTCBSA-N 1 2 397.313 3.046 10 0 GGAELO C[C@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000408350071 565605509 /nfs/dbraw/zinc/60/55/09/565605509.db2.gz XFAFRHMJFCRHIJ-ACJLOTCBSA-N 1 2 397.313 3.046 10 0 GGAELO Brc1ccc(C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)c(N2CCOCC2)c1 ZINC000191615568 565616451 /nfs/dbraw/zinc/61/64/51/565616451.db2.gz CGLIHRLTRZCADQ-PKOBYXMFSA-N 1 2 395.341 3.429 10 0 GGAELO Brc1ccc(C[N@H+]2CCO[C@@H]3CCCC[C@@H]32)c(N2CCOCC2)c1 ZINC000191615568 565616456 /nfs/dbraw/zinc/61/64/56/565616456.db2.gz CGLIHRLTRZCADQ-PKOBYXMFSA-N 1 2 395.341 3.429 10 0 GGAELO Cc1cc(C)cc(CS(=O)(=O)NC[C@H](C)[N@@H+]2CCc3sccc3C2)c1 ZINC000409579069 565625719 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CC(C)c1nc(N(C)C)nc(N[C@@H]2CCOc3c(Br)cccc32)[nH+]1 ZINC000409641664 565629824 /nfs/dbraw/zinc/62/98/24/565629824.db2.gz NXKGSLKHPUNEAX-CYBMUJFWSA-N 1 2 392.301 3.181 10 0 GGAELO CC(C)c1nc(N[C@@H]2CCOc3c(Br)cccc32)nc(N(C)C)[nH+]1 ZINC000409641664 565629829 /nfs/dbraw/zinc/62/98/29/565629829.db2.gz NXKGSLKHPUNEAX-CYBMUJFWSA-N 1 2 392.301 3.181 10 0 GGAELO O=C(C[N@H+]1CCC[C@@H]1c1ccc(I)cc1)N1CCCC1 ZINC000174428329 565635057 /nfs/dbraw/zinc/63/50/57/565635057.db2.gz ZCSDXSHULBPBLZ-OAHLLOKOSA-N 1 2 384.261 3.051 10 0 GGAELO O=C(C[N@@H+]1CCC[C@@H]1c1ccc(I)cc1)N1CCCC1 ZINC000174428329 565635060 /nfs/dbraw/zinc/63/50/60/565635060.db2.gz ZCSDXSHULBPBLZ-OAHLLOKOSA-N 1 2 384.261 3.051 10 0 GGAELO CC(C)Cn1cc[nH+]c1CNC(=O)Nc1cccc(I)c1 ZINC000174426014 565635091 /nfs/dbraw/zinc/63/50/91/565635091.db2.gz GBAMMEZZHXMUAD-UHFFFAOYSA-N 1 2 398.248 3.465 10 0 GGAELO COCC[N@H+](Cc1sccc1Br)Cc1cccc(C(N)=O)c1 ZINC000191822488 565635730 /nfs/dbraw/zinc/63/57/30/565635730.db2.gz XZRWLHMGJCISSG-UHFFFAOYSA-N 1 2 383.311 3.258 10 0 GGAELO COCC[N@@H+](Cc1sccc1Br)Cc1cccc(C(N)=O)c1 ZINC000191822488 565635732 /nfs/dbraw/zinc/63/57/32/565635732.db2.gz XZRWLHMGJCISSG-UHFFFAOYSA-N 1 2 383.311 3.258 10 0 GGAELO CN(C(=O)C[N@@H+]1CCC[C@H]1c1ccc(I)cc1)C1CC1 ZINC000174429404 565636051 /nfs/dbraw/zinc/63/60/51/565636051.db2.gz UYDHTJOUAFDILR-HNNXBMFYSA-N 1 2 384.261 3.049 10 0 GGAELO CN(C(=O)C[N@H+]1CCC[C@H]1c1ccc(I)cc1)C1CC1 ZINC000174429404 565636053 /nfs/dbraw/zinc/63/60/53/565636053.db2.gz UYDHTJOUAFDILR-HNNXBMFYSA-N 1 2 384.261 3.049 10 0 GGAELO O=C(NCCNc1cccc[nH+]1)N[C@@H]1CCOc2c(Br)cccc21 ZINC000409714712 565637041 /nfs/dbraw/zinc/63/70/41/565637041.db2.gz LZYUZMCOXPAVGM-CQSZACIVSA-N 1 2 391.269 3.079 10 0 GGAELO O=C(C1CC1)[C@H]1CN(c2cc[nH+]c3c(Br)ccc(F)c23)CCO1 ZINC000409732479 565637738 /nfs/dbraw/zinc/63/77/38/565637738.db2.gz USSBEFYEDKBPDZ-CQSZACIVSA-N 1 2 379.229 3.321 10 0 GGAELO O=C(C1CC1)[C@@H]1CN(c2cc[nH+]c3c(Br)ccc(F)c23)CCO1 ZINC000409732478 565637822 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CC(C)(C)c1nnsc1C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000191974823 565647657 /nfs/dbraw/zinc/64/76/57/565647657.db2.gz GCUPGKBRTHSSQG-UHFFFAOYSA-N 1 2 378.929 3.277 10 0 GGAELO CC(C)(C)c1nnsc1C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000191974823 565647661 /nfs/dbraw/zinc/64/76/61/565647661.db2.gz GCUPGKBRTHSSQG-UHFFFAOYSA-N 1 2 378.929 3.277 10 0 GGAELO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)Cc2c(F)ccc(Br)c2F)C1 ZINC000409967980 565654147 /nfs/dbraw/zinc/65/41/47/565654147.db2.gz ROOBILSLRMJIKF-SNVBAGLBSA-N 1 2 384.224 3.019 10 0 GGAELO O=C(C[N@H+]1CC[C@](O)(C(F)(F)F)C1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000174751787 565656341 /nfs/dbraw/zinc/65/63/41/565656341.db2.gz YMAACXTUJGBRIX-GFCCVEGCSA-N 1 2 390.711 3.296 10 0 GGAELO O=C(C[N@@H+]1CC[C@](O)(C(F)(F)F)C1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000174751787 565656347 /nfs/dbraw/zinc/65/63/47/565656347.db2.gz YMAACXTUJGBRIX-GFCCVEGCSA-N 1 2 390.711 3.296 10 0 GGAELO O=C(Nc1ccccc1Br)C1CC[NH+](Cc2ncccn2)CC1 ZINC000192097793 565658991 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C[N@H+]1CC[C@@H](NC(=O)c2ncccc2Br)[C@@H]1c1ccc(F)c(F)c1 ZINC000193715880 565772004 /nfs/dbraw/zinc/77/20/04/565772004.db2.gz GWOGXTGAAUPIOX-ZBFHGGJFSA-N 1 2 396.235 3.298 10 0 GGAELO O=C(c1ccc(Br)cn1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282311806 565773690 /nfs/dbraw/zinc/77/36/90/565773690.db2.gz MTPZMAFLBBUKOE-CYBMUJFWSA-N 1 2 389.297 3.397 10 0 GGAELO O=C(c1ccc(Br)cn1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282311812 565773725 /nfs/dbraw/zinc/77/37/25/565773725.db2.gz MTPZMAFLBBUKOE-ZDUSSCGKSA-N 1 2 389.297 3.397 10 0 GGAELO Cn1cc2c(n1)CCC[C@H]2[NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000282324326 565774373 /nfs/dbraw/zinc/77/43/73/565774373.db2.gz AKCXNSNSWDYANI-MRXNPFEDSA-N 1 2 377.279 3.475 10 0 GGAELO O=C(c1cccc(Br)n1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282325373 565775103 /nfs/dbraw/zinc/77/51/03/565775103.db2.gz NQNBIFVOZZMYQI-CYBMUJFWSA-N 1 2 389.297 3.397 10 0 GGAELO COCC(C)(C)CC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000412247730 565777152 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Cc1ccc([C@@H](CNC(=O)Cc2ccc(Cl)cc2)[NH+]2CCOCC2)s1 ZINC000176561887 565784706 /nfs/dbraw/zinc/78/47/06/565784706.db2.gz FOFZBKZOOJHOJW-QGZVFWFLSA-N 1 2 378.925 3.442 10 0 GGAELO Cc1ccc(NC(=O)C(=O)N[C@@H](C)Cc2ccc(Br)cc2)c(C)[nH+]1 ZINC000176568531 565785034 /nfs/dbraw/zinc/78/50/34/565785034.db2.gz FPDOJKOZWFFXPJ-LBPRGKRZSA-N 1 2 390.281 3.147 10 0 GGAELO Cc1ccc([C@H](CNC(=O)Cc2ccccc2Cl)[NH+]2CCOCC2)s1 ZINC000176572617 565785098 /nfs/dbraw/zinc/78/50/98/565785098.db2.gz COTSRDBJENTBBR-KRWDZBQOSA-N 1 2 378.925 3.442 10 0 GGAELO C[C@@H]1CCN(C(=O)C2(c3cncc(Br)c3)CC2)C[C@H]1n1cc[nH+]c1 ZINC000282552893 565785149 /nfs/dbraw/zinc/78/51/49/565785149.db2.gz ASJHMUFJZOEMAP-CZUORRHYSA-N 1 2 389.297 3.182 10 0 GGAELO O=C(NCC[N@H+]1CCc2c(Cl)cccc2C1)c1ccoc1Br ZINC000194013247 565790153 /nfs/dbraw/zinc/79/01/53/565790153.db2.gz GRRRXSBXFPQMQN-UHFFFAOYSA-N 1 2 383.673 3.484 10 0 GGAELO O=C(NCC[N@@H+]1CCc2c(Cl)cccc2C1)c1ccoc1Br ZINC000194013247 565790159 /nfs/dbraw/zinc/79/01/59/565790159.db2.gz GRRRXSBXFPQMQN-UHFFFAOYSA-N 1 2 383.673 3.484 10 0 GGAELO O=C(Nc1ccccc1C[NH+]1CCOCC1)N1CCC=C(Br)C1 ZINC000282893697 565801494 /nfs/dbraw/zinc/80/14/94/565801494.db2.gz ZYAQHQPYJTVFSR-UHFFFAOYSA-N 1 2 380.286 3.035 10 0 GGAELO CCn1cc[nH+]c1C[S@](=O)Cc1ccc(OC)c(OC)c1Br ZINC000176835194 565807471 /nfs/dbraw/zinc/80/74/71/565807471.db2.gz ZKRKXDDYXUYLIP-JOCHJYFZSA-N 1 2 387.299 3.132 10 0 GGAELO C[N@@H+]1CC[C@@H](NC(=O)NCCCOC(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000194339261 565809632 /nfs/dbraw/zinc/80/96/32/565809632.db2.gz NAXQXIILNSWJKV-KGLIPLIRSA-N 1 2 379.810 3.153 10 0 GGAELO C[N@H+]1CC[C@@H](NC(=O)NCCCOC(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000194339261 565809639 /nfs/dbraw/zinc/80/96/39/565809639.db2.gz NAXQXIILNSWJKV-KGLIPLIRSA-N 1 2 379.810 3.153 10 0 GGAELO COc1cc(Cl)c(C)cc1NC(=O)C[S@@](=O)Cc1[nH+]ccn1C(C)C ZINC000176877546 565810244 /nfs/dbraw/zinc/81/02/44/565810244.db2.gz BOHTUNOVPRGZTB-VWLOTQADSA-N 1 2 383.901 3.322 10 0 GGAELO CC(C)Cn1cc[nH+]c1CNC(=O)NCCc1ccc(Br)cc1 ZINC000176867976 565810510 /nfs/dbraw/zinc/81/05/10/565810510.db2.gz JZJZVQMZVJAGHW-UHFFFAOYSA-N 1 2 379.302 3.344 10 0 GGAELO Cc1cc(NC(=O)C[S@](=O)Cc2[nH+]ccn2C(C)C)ccc1Br ZINC000176882124 565811262 /nfs/dbraw/zinc/81/12/62/565811262.db2.gz NLELMOREECLKBK-HSZRJFAPSA-N 1 2 398.326 3.422 10 0 GGAELO COc1ccc(Cl)cc1NC(=O)CC[S@@](=O)Cc1[nH+]ccn1C(C)C ZINC000176888051 565812107 /nfs/dbraw/zinc/81/21/07/565812107.db2.gz BVOLPSQISJWSKD-RUZDIDTESA-N 1 2 383.901 3.404 10 0 GGAELO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1Cc1cc(OC)c(OC)cc1Br ZINC000194404177 565812533 /nfs/dbraw/zinc/81/25/33/565812533.db2.gz LTMQKCQQUVPXIL-HNNXBMFYSA-N 1 2 399.329 3.299 10 0 GGAELO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1Cc1cc(OC)c(OC)cc1Br ZINC000194404177 565812540 /nfs/dbraw/zinc/81/25/40/565812540.db2.gz LTMQKCQQUVPXIL-HNNXBMFYSA-N 1 2 399.329 3.299 10 0 GGAELO O=C(N1CC[C@@H]([NH+]2CCOCC2)C1)C1(c2ccc(Cl)c(Cl)c2)CCC1 ZINC000176920098 565814493 /nfs/dbraw/zinc/81/44/93/565814493.db2.gz QUDAMDLSTZRKQZ-OAHLLOKOSA-N 1 2 383.319 3.348 10 0 GGAELO CNc1[nH+]cnc2c1cnn2Cc1ncc(-c2ccc(Br)cc2)o1 ZINC000194428487 565814826 /nfs/dbraw/zinc/81/48/26/565814826.db2.gz NZAXXTKXHLRKCM-UHFFFAOYSA-N 1 2 385.225 3.334 10 0 GGAELO COC(=O)c1ccc(Br)cc1C[N@@H+]1CCC[C@@H](c2nc(C)no2)C1 ZINC000283421997 565818308 /nfs/dbraw/zinc/81/83/08/565818308.db2.gz FVRYWKGJEVRNCH-GFCCVEGCSA-N 1 2 394.269 3.307 10 0 GGAELO COC(=O)c1ccc(Br)cc1C[N@H+]1CCC[C@@H](c2nc(C)no2)C1 ZINC000283421997 565818314 /nfs/dbraw/zinc/81/83/14/565818314.db2.gz FVRYWKGJEVRNCH-GFCCVEGCSA-N 1 2 394.269 3.307 10 0 GGAELO C[C@@H](C[N@@H+]1CCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1)CS(C)(=O)=O ZINC000176960251 565818594 /nfs/dbraw/zinc/81/85/94/565818594.db2.gz FACZLXFLAGCOFN-XHDPSFHLSA-N 1 2 393.336 3.077 10 0 GGAELO C[C@@H](C[N@H+]1CCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1)CS(C)(=O)=O ZINC000176960251 565818599 /nfs/dbraw/zinc/81/85/99/565818599.db2.gz FACZLXFLAGCOFN-XHDPSFHLSA-N 1 2 393.336 3.077 10 0 GGAELO C[C@H](O)[C@@H]1CCN(c2cc(NCc3cc(F)cc(Br)c3)[nH+]cn2)C1 ZINC000413075076 565833520 /nfs/dbraw/zinc/83/35/20/565833520.db2.gz TUJUIANROOGLAK-WCQYABFASA-N 1 2 395.276 3.197 10 0 GGAELO C[C@H](O)[C@@H]1CCN(c2cc(NCc3cc(F)cc(Br)c3)nc[nH+]2)C1 ZINC000413075076 565833523 /nfs/dbraw/zinc/83/35/23/565833523.db2.gz TUJUIANROOGLAK-WCQYABFASA-N 1 2 395.276 3.197 10 0 GGAELO C[C@@H](O)[C@@H]1CCN(c2cc(NCCc3ccccc3Br)[nH+]cn2)C1 ZINC000413095515 565834871 /nfs/dbraw/zinc/83/48/71/565834871.db2.gz SHKCOTNLKXPWEY-UKRRQHHQSA-N 1 2 391.313 3.101 10 0 GGAELO C[C@@H](O)[C@@H]1CCN(c2cc(NCCc3ccccc3Br)nc[nH+]2)C1 ZINC000413095515 565834876 /nfs/dbraw/zinc/83/48/76/565834876.db2.gz SHKCOTNLKXPWEY-UKRRQHHQSA-N 1 2 391.313 3.101 10 0 GGAELO COCc1c(Br)cccc1NC(=O)NCc1ccc[nH+]c1N(C)C ZINC000194753670 565835221 /nfs/dbraw/zinc/83/52/21/565835221.db2.gz FPMHEJGJVBRFHF-UHFFFAOYSA-N 1 2 393.285 3.378 10 0 GGAELO CCOC(=O)C[N@@H+]1CCCN(c2nccc3cc(Br)ccc32)CC1 ZINC000413157782 565837719 /nfs/dbraw/zinc/83/77/19/565837719.db2.gz IEIYKHGEMAXSHF-UHFFFAOYSA-N 1 2 392.297 3.073 10 0 GGAELO CCOC(=O)C[N@H+]1CCCN(c2nccc3cc(Br)ccc32)CC1 ZINC000413157782 565837726 /nfs/dbraw/zinc/83/77/26/565837726.db2.gz IEIYKHGEMAXSHF-UHFFFAOYSA-N 1 2 392.297 3.073 10 0 GGAELO C[C@H](O)CNc1cc(N2CCC[C@@H]2c2ccc(Br)cc2)nc[nH+]1 ZINC000413173469 565838090 /nfs/dbraw/zinc/83/80/90/565838090.db2.gz PECQYBXADQSRQG-SWLSCSKDSA-N 1 2 377.286 3.373 10 0 GGAELO C[C@H](O)CNc1cc(N2CCC[C@@H]2c2ccc(Br)cc2)[nH+]cn1 ZINC000413173469 565838095 /nfs/dbraw/zinc/83/80/95/565838095.db2.gz PECQYBXADQSRQG-SWLSCSKDSA-N 1 2 377.286 3.373 10 0 GGAELO CN(Cc1ncnn1CC(F)F)c1[nH+]ccc2cc(Br)ccc21 ZINC000413273291 565843332 /nfs/dbraw/zinc/84/33/32/565843332.db2.gz VJGVXSFQBFBURO-UHFFFAOYSA-N 1 2 382.212 3.490 10 0 GGAELO CS(=O)(=O)C1(CNc2[nH+]ccc3cc(Br)ccc32)CCCC1 ZINC000413298746 565844323 /nfs/dbraw/zinc/84/43/23/565844323.db2.gz STKAOLSDKDILSD-UHFFFAOYSA-N 1 2 383.311 3.189 10 0 GGAELO CN(C)C(=O)N[C@H]1CCCN(c2[nH+]ccc3cc(Br)ccc32)C1 ZINC000413318914 565845554 /nfs/dbraw/zinc/84/55/54/565845554.db2.gz NYKGEQPIRKMNBF-AWEZNQCLSA-N 1 2 377.286 3.237 10 0 GGAELO O=C(NCCc1ccc(Br)s1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177376682 565847113 /nfs/dbraw/zinc/84/71/13/565847113.db2.gz PEWTXGHQWLLIEI-GFCCVEGCSA-N 1 2 383.315 3.124 10 0 GGAELO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cc(Br)cc(Cl)c1O ZINC000177423172 565850449 /nfs/dbraw/zinc/85/04/49/565850449.db2.gz CWNHCJQBZQVVMR-LLVKDONJSA-N 1 2 375.694 3.364 10 0 GGAELO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1cc(Br)cc(Cl)c1O ZINC000177423172 565850454 /nfs/dbraw/zinc/85/04/54/565850454.db2.gz CWNHCJQBZQVVMR-LLVKDONJSA-N 1 2 375.694 3.364 10 0 GGAELO Cn1c(=O)sc2cc(C[N@H+](C)CC(=O)Nc3cccc(Cl)c3)ccc21 ZINC000194986510 565852435 /nfs/dbraw/zinc/85/24/35/565852435.db2.gz GZKILQIAWIEVKM-UHFFFAOYSA-N 1 2 375.881 3.324 10 0 GGAELO Cn1c(=O)sc2cc(C[N@@H+](C)CC(=O)Nc3cccc(Cl)c3)ccc21 ZINC000194986510 565852439 /nfs/dbraw/zinc/85/24/39/565852439.db2.gz GZKILQIAWIEVKM-UHFFFAOYSA-N 1 2 375.881 3.324 10 0 GGAELO COc1ccc(Br)cc1CNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177467040 565852751 /nfs/dbraw/zinc/85/27/51/565852751.db2.gz XMQGKFKAKLZMAE-OAHLLOKOSA-N 1 2 393.285 3.028 10 0 GGAELO C[C@H]1CCN(C(=O)c2n[nH]c3ccc(Br)cc32)C[C@@H]1n1cc[nH+]c1 ZINC000177486339 565854988 /nfs/dbraw/zinc/85/49/88/565854988.db2.gz LHYIOEHRZVSJKX-NHYWBVRUSA-N 1 2 388.269 3.245 10 0 GGAELO Cc1ncsc1CNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000332745215 565855136 /nfs/dbraw/zinc/85/51/36/565855136.db2.gz GMVPITGBQBXAIE-HOCLYGCPSA-N 1 2 382.892 3.489 10 0 GGAELO Cc1ncsc1CNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000332745215 565855140 /nfs/dbraw/zinc/85/51/40/565855140.db2.gz GMVPITGBQBXAIE-HOCLYGCPSA-N 1 2 382.892 3.489 10 0 GGAELO O=C(NCc1ccccc1Br)NC1CCN(c2cccc[nH+]2)CC1 ZINC000195068781 565856928 /nfs/dbraw/zinc/85/69/28/565856928.db2.gz BZIDIOUPAYXNQI-UHFFFAOYSA-N 1 2 389.297 3.312 10 0 GGAELO O=C(NCCc1ccc(Br)cc1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177528798 565857031 /nfs/dbraw/zinc/85/70/31/565857031.db2.gz YHJGPSYJSHKKOO-MRXNPFEDSA-N 1 2 377.286 3.062 10 0 GGAELO O=C(N[C@H]1CCc2cc(Br)ccc21)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000332902624 565858293 /nfs/dbraw/zinc/85/82/93/565858293.db2.gz WLLSANWQKMSXFI-JSGCOSHPSA-N 1 2 375.270 3.016 10 0 GGAELO O=C(N[C@H]1CCc2cc(Br)ccc21)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000332902624 565858299 /nfs/dbraw/zinc/85/82/99/565858299.db2.gz WLLSANWQKMSXFI-JSGCOSHPSA-N 1 2 375.270 3.016 10 0 GGAELO O=C(N[C@@H]1CCc2cc(Br)ccc21)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000332902619 565858428 /nfs/dbraw/zinc/85/84/28/565858428.db2.gz WLLSANWQKMSXFI-GXTWGEPZSA-N 1 2 375.270 3.016 10 0 GGAELO O=C(N[C@@H]1CCc2cc(Br)ccc21)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000332902619 565858435 /nfs/dbraw/zinc/85/84/35/565858435.db2.gz WLLSANWQKMSXFI-GXTWGEPZSA-N 1 2 375.270 3.016 10 0 GGAELO O=C(C[NH+]1C[C@H]2CCCC[C@@H]2C1)Nc1ccccc1I ZINC000177552876 565858642 /nfs/dbraw/zinc/85/86/42/565858642.db2.gz HYGCIBRIVLIGAZ-CHWSQXEVSA-N 1 2 384.261 3.352 10 0 GGAELO Cc1cn2c([nH+]1)[C@@H](CNC(=O)N1CCSC[C@@H]1c1nccs1)CCC2 ZINC000332952027 565860317 /nfs/dbraw/zinc/86/03/17/565860317.db2.gz COBDTUFKGAQQHQ-ZIAGYGMSSA-N 1 2 377.539 3.025 10 0 GGAELO CS(=O)(=O)CC1(CNc2[nH+]ccc3cc(Br)ccc32)CCC1 ZINC000413576199 565860884 /nfs/dbraw/zinc/86/08/84/565860884.db2.gz HGEAPJFETSNWFI-UHFFFAOYSA-N 1 2 383.311 3.046 10 0 GGAELO Cc1nc2n(n1)CCC[C@H]2[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000177594338 565862044 /nfs/dbraw/zinc/86/20/44/565862044.db2.gz HEZRZIFFVYTHMG-CQSZACIVSA-N 1 2 387.285 3.364 10 0 GGAELO Cc1nc2n(n1)CCC[C@H]2[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000177593495 565862065 /nfs/dbraw/zinc/86/20/65/565862065.db2.gz CAEMEGVODWNAJW-CQSZACIVSA-N 1 2 387.285 3.364 10 0 GGAELO Cc1nc2n(n1)CCC[C@@H]2[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000177593477 565862156 /nfs/dbraw/zinc/86/21/56/565862156.db2.gz CAEMEGVODWNAJW-AWEZNQCLSA-N 1 2 387.285 3.364 10 0 GGAELO CN(c1cccnn1)C1CC[NH+](Cc2cc(F)cc(Br)c2)CC1 ZINC000177708889 565869180 /nfs/dbraw/zinc/86/91/80/565869180.db2.gz HQYOHGLFTDBYKK-UHFFFAOYSA-N 1 2 379.277 3.479 10 0 GGAELO Cc1c(Cl)cc(NC(=O)C(=O)NCc2ccc[nH+]c2N(C)C)cc1Cl ZINC000195248845 565869431 /nfs/dbraw/zinc/86/94/31/565869431.db2.gz FOSKNPZSVFNTCX-UHFFFAOYSA-N 1 2 381.263 3.018 10 0 GGAELO C[C@H](Oc1ccc(F)cc1Br)C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177758940 565871329 /nfs/dbraw/zinc/87/13/29/565871329.db2.gz HHGKDCJTJKOCCE-GXTWGEPZSA-N 1 2 396.260 3.243 10 0 GGAELO Cc1nsc(N2CCC[N@H+](Cc3ccc(Br)c(F)c3)CC2)n1 ZINC000177823270 565875691 /nfs/dbraw/zinc/87/56/91/565875691.db2.gz IJRKFWBZYYDRTE-UHFFFAOYSA-N 1 2 385.306 3.460 10 0 GGAELO Cc1nsc(N2CCC[N@@H+](Cc3ccc(Br)c(F)c3)CC2)n1 ZINC000177823270 565875694 /nfs/dbraw/zinc/87/56/94/565875694.db2.gz IJRKFWBZYYDRTE-UHFFFAOYSA-N 1 2 385.306 3.460 10 0 GGAELO CN(C)c1[nH+]cccc1CNC(=O)N1CCc2cc(Br)cc(F)c21 ZINC000177846416 565876560 /nfs/dbraw/zinc/87/65/60/565876560.db2.gz DUXQHHCBESYKLV-UHFFFAOYSA-N 1 2 393.260 3.322 10 0 GGAELO O=C(C[N@@H+]1CCC[C@@H](c2nccs2)C1)Nc1ccc(Br)cn1 ZINC000195345150 565878136 /nfs/dbraw/zinc/87/81/36/565878136.db2.gz YPAOUPUCVRPBLZ-LLVKDONJSA-N 1 2 381.299 3.119 10 0 GGAELO O=C(C[N@H+]1CCC[C@@H](c2nccs2)C1)Nc1ccc(Br)cn1 ZINC000195345150 565878143 /nfs/dbraw/zinc/87/81/43/565878143.db2.gz YPAOUPUCVRPBLZ-LLVKDONJSA-N 1 2 381.299 3.119 10 0 GGAELO CC(C)(C[NH+]1CCOCC1)NC(=O)CSc1cccc(C(F)(F)F)c1 ZINC000413964676 565883926 /nfs/dbraw/zinc/88/39/26/565883926.db2.gz FLSBBYAFSMWOQR-UHFFFAOYSA-N 1 2 376.444 3.025 10 0 GGAELO COc1ccc(Br)c(NC(=O)NCc2ccc[nH+]c2N(C)C)c1 ZINC000195458981 565884879 /nfs/dbraw/zinc/88/48/79/565884879.db2.gz USKNELBLSHKJML-UHFFFAOYSA-N 1 2 379.258 3.240 10 0 GGAELO Cn1nccc1C1CC[NH+](CC(=O)Nc2ccccc2Br)CC1 ZINC000195503642 565887635 /nfs/dbraw/zinc/88/76/35/565887635.db2.gz NUSFDPWWKAFVOO-UHFFFAOYSA-N 1 2 377.286 3.001 10 0 GGAELO Brc1ccc(-c2nnc(C[NH+]3CCC(c4ccn[nH]4)CC3)o2)o1 ZINC000195505953 565888830 /nfs/dbraw/zinc/88/88/30/565888830.db2.gz WQYSRCQUXDHOBY-UHFFFAOYSA-N 1 2 378.230 3.195 10 0 GGAELO Cc1ccc(NC(=O)C[NH+]2CCC(c3cc[nH]n3)CC2)c(Br)c1 ZINC000195506828 565888909 /nfs/dbraw/zinc/88/89/09/565888909.db2.gz DFOSQVSZXBABBB-UHFFFAOYSA-N 1 2 377.286 3.299 10 0 GGAELO O=C(C[NH+]1CCC(c2cc[nH]n2)CC1)Nc1ccc(Br)cc1F ZINC000195506859 565888933 /nfs/dbraw/zinc/88/89/33/565888933.db2.gz ZLTBZBKNOMKGID-UHFFFAOYSA-N 1 2 381.249 3.129 10 0 GGAELO CN(Cc1ccccc1Br)C(=O)C[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000195506213 565889491 /nfs/dbraw/zinc/88/94/91/565889491.db2.gz URAPVLXLJWWXGO-UHFFFAOYSA-N 1 2 391.313 3.010 10 0 GGAELO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1Br)OCO2 ZINC000195720060 565892336 /nfs/dbraw/zinc/89/23/36/565892336.db2.gz KRAMZFQNMNZIJJ-AWEZNQCLSA-N 1 2 383.286 3.011 10 0 GGAELO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1Cc1cc2c(cc1Br)OCO2 ZINC000195720060 565892341 /nfs/dbraw/zinc/89/23/41/565892341.db2.gz KRAMZFQNMNZIJJ-AWEZNQCLSA-N 1 2 383.286 3.011 10 0 GGAELO C[C@@H](Cn1cc(Br)ccc1=O)Nc1ccc(N2CCCC2)[nH+]c1 ZINC000414089129 565893238 /nfs/dbraw/zinc/89/32/38/565893238.db2.gz AMYQQZLZOWBJMJ-ZDUSSCGKSA-N 1 2 377.286 3.107 10 0 GGAELO CN(C)c1cc(NC(=O)N2CCC[C@@H]2C2CCOCC2)[nH+]cc1Br ZINC000333708298 565893575 /nfs/dbraw/zinc/89/35/75/565893575.db2.gz SNVRHARIBHTGKU-CQSZACIVSA-N 1 2 397.317 3.333 10 0 GGAELO COC(=O)c1cnc([C@H](C)[NH2+][C@@H](CO)c2cccc(Br)c2)s1 ZINC000414096961 565894273 /nfs/dbraw/zinc/89/42/73/565894273.db2.gz RHONMDOYUFKNNR-CABZTGNLSA-N 1 2 385.283 3.076 10 0 GGAELO COc1cc(Br)c(C[NH2+]Cc2ccnc(OC(F)F)c2)cc1O ZINC000285374530 565903813 /nfs/dbraw/zinc/90/38/13/565903813.db2.gz ZMBSWZHSJZCFNW-UHFFFAOYSA-N 1 2 389.196 3.450 10 0 GGAELO Cc1cc(Br)cc(C)c1N1CCC[C@@H]([NH2+]Cc2cocn2)C1=O ZINC000285562116 565914178 /nfs/dbraw/zinc/91/41/78/565914178.db2.gz SPXPFXPTLQOLNE-OAHLLOKOSA-N 1 2 378.270 3.339 10 0 GGAELO Cc1ccc(I)c(C(=O)NCc2ccn3cc[nH+]c3c2)c1 ZINC000178372586 565915168 /nfs/dbraw/zinc/91/51/68/565915168.db2.gz DASFYEGWUGFFKG-UHFFFAOYSA-N 1 2 391.212 3.177 10 0 GGAELO Cc1ccc(C(=O)NCc2ccn3cc[nH+]c3c2)cc1I ZINC000178382131 565915785 /nfs/dbraw/zinc/91/57/85/565915785.db2.gz DHEHABDKLDGHDW-UHFFFAOYSA-N 1 2 391.212 3.177 10 0 GGAELO Cn1nccc1C1=CC[N@H+](CC(=O)Nc2ccc(Br)cc2F)CC1 ZINC000285624936 565917892 /nfs/dbraw/zinc/91/78/92/565917892.db2.gz NNCZLVFEEWSXTA-UHFFFAOYSA-N 1 2 393.260 3.050 10 0 GGAELO Cn1nccc1C1=CC[N@@H+](CC(=O)Nc2ccc(Br)cc2F)CC1 ZINC000285624936 565917896 /nfs/dbraw/zinc/91/78/96/565917896.db2.gz NNCZLVFEEWSXTA-UHFFFAOYSA-N 1 2 393.260 3.050 10 0 GGAELO C[NH+](C)CCOc1ccc(NS(=O)(=O)c2c(F)cccc2Cl)cc1F ZINC000414387503 565921329 /nfs/dbraw/zinc/92/13/29/565921329.db2.gz JNLVJDFQYSNRLP-UHFFFAOYSA-N 1 2 390.839 3.359 10 0 GGAELO Cn1nccc1C1=CC[N@H+](C[C@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000285742611 565924093 /nfs/dbraw/zinc/92/40/93/565924093.db2.gz WAKYZZVDJYVBSG-KRWDZBQOSA-N 1 2 380.261 3.144 10 0 GGAELO Cn1nccc1C1=CC[N@@H+](C[C@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000285742611 565924096 /nfs/dbraw/zinc/92/40/96/565924096.db2.gz WAKYZZVDJYVBSG-KRWDZBQOSA-N 1 2 380.261 3.144 10 0 GGAELO CC(C)(C)OC(=O)[C@@H]1CC[N@H+](Cc2nnc(-c3ccc(Br)o3)o2)C1 ZINC000178528444 565924383 /nfs/dbraw/zinc/92/43/83/565924383.db2.gz VYJJGOASLLKYMP-SNVBAGLBSA-N 1 2 398.257 3.256 10 0 GGAELO CC(C)(C)OC(=O)[C@@H]1CC[N@@H+](Cc2nnc(-c3ccc(Br)o3)o2)C1 ZINC000178528444 565924387 /nfs/dbraw/zinc/92/43/87/565924387.db2.gz VYJJGOASLLKYMP-SNVBAGLBSA-N 1 2 398.257 3.256 10 0 GGAELO Cn1nccc1C1=CC[N@H+](C[C@@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000285742616 565924996 /nfs/dbraw/zinc/92/49/96/565924996.db2.gz WAKYZZVDJYVBSG-QGZVFWFLSA-N 1 2 380.261 3.144 10 0 GGAELO Cn1nccc1C1=CC[N@@H+](C[C@@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000285742616 565925001 /nfs/dbraw/zinc/92/50/01/565925001.db2.gz WAKYZZVDJYVBSG-QGZVFWFLSA-N 1 2 380.261 3.144 10 0 GGAELO CN(C[C@@H](c1cccs1)[NH+]1CCOCC1)C(=O)NCCc1ccsc1 ZINC000178548335 565926185 /nfs/dbraw/zinc/92/61/85/565926185.db2.gz RQRXRTJDACNXRB-INIZCTEOSA-N 1 2 379.551 3.067 10 0 GGAELO CC(C)Cn1cc[nH+]c1CN1C(=O)N[C@H](c2ccc(Br)cc2)C1=O ZINC000349401667 565927425 /nfs/dbraw/zinc/92/74/25/565927425.db2.gz RIZSXBWVJGOXND-OAHLLOKOSA-N 1 2 391.269 3.095 10 0 GGAELO C[NH+](C)[C@H]1CCN(Cc2cc(Br)c(O)c(Br)c2)C1 ZINC000234240900 565933297 /nfs/dbraw/zinc/93/32/97/565933297.db2.gz BJTVDFGKPQNQCG-JTQLQIEISA-N 1 2 378.108 3.053 10 0 GGAELO COC(=O)c1ccc(C[N@@H+]2CCO[C@H](c3ccc(Br)cc3)C2)nc1 ZINC000285975778 565936115 /nfs/dbraw/zinc/93/61/15/565936115.db2.gz LSYCYPLTNZFYDH-KRWDZBQOSA-N 1 2 391.265 3.204 10 0 GGAELO COC(=O)c1ccc(C[N@H+]2CCO[C@H](c3ccc(Br)cc3)C2)nc1 ZINC000285975778 565936122 /nfs/dbraw/zinc/93/61/22/565936122.db2.gz LSYCYPLTNZFYDH-KRWDZBQOSA-N 1 2 391.265 3.204 10 0 GGAELO CCc1ccc(S(=O)(=O)Nc2ccc(OCC[NH+](C)C)cc2OC)s1 ZINC000414470313 565939085 /nfs/dbraw/zinc/93/90/85/565939085.db2.gz IQGYIWFHCWWOSO-UHFFFAOYSA-N 1 2 384.523 3.060 10 0 GGAELO CCOc1cc(C[NH+]2CC(CO)(c3ccccc3)C2)cc(Br)c1O ZINC000414555216 565948052 /nfs/dbraw/zinc/94/80/52/565948052.db2.gz WKQUPGXUEAFQOD-UHFFFAOYSA-N 1 2 392.293 3.299 10 0 GGAELO COC(=O)c1ccc(C[NH2+]Cc2nnc(C3CC3)s2)c(Br)c1 ZINC000414550089 565948461 /nfs/dbraw/zinc/94/84/61/565948461.db2.gz CDRFYFSSVHDCMP-UHFFFAOYSA-N 1 2 382.283 3.254 10 0 GGAELO O=C(CC[N@H+]1CCOC[C@H]1CC(F)F)Nc1ccc(Br)cc1F ZINC000286251772 565950478 /nfs/dbraw/zinc/95/04/78/565950478.db2.gz ARRSWICXFFLSMI-LLVKDONJSA-N 1 2 395.219 3.273 10 0 GGAELO O=C(CC[N@@H+]1CCOC[C@H]1CC(F)F)Nc1ccc(Br)cc1F ZINC000286251772 565950480 /nfs/dbraw/zinc/95/04/80/565950480.db2.gz ARRSWICXFFLSMI-LLVKDONJSA-N 1 2 395.219 3.273 10 0 GGAELO CC(C)[N@@H+](Cc1cn(-c2cccc(Cl)c2Cl)nn1)C[C@H]1CCC(=O)N1 ZINC000414580516 565951054 /nfs/dbraw/zinc/95/10/54/565951054.db2.gz QNBZRDBRPLTFQN-GFCCVEGCSA-N 1 2 382.295 3.063 10 0 GGAELO CC(C)[N@H+](Cc1cn(-c2cccc(Cl)c2Cl)nn1)C[C@H]1CCC(=O)N1 ZINC000414580516 565951060 /nfs/dbraw/zinc/95/10/60/565951060.db2.gz QNBZRDBRPLTFQN-GFCCVEGCSA-N 1 2 382.295 3.063 10 0 GGAELO COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2sc(C)nc2C(F)(F)F)C1 ZINC000286345726 565955394 /nfs/dbraw/zinc/95/53/94/565955394.db2.gz FJDVIXMKFYDULP-LLVKDONJSA-N 1 2 376.322 3.398 10 0 GGAELO COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2sc(C)nc2C(F)(F)F)C1 ZINC000286345726 565955402 /nfs/dbraw/zinc/95/54/02/565955402.db2.gz FJDVIXMKFYDULP-LLVKDONJSA-N 1 2 376.322 3.398 10 0 GGAELO COc1cc(-c2noc(C[C@@H](C)n3cc[nH+]c3)n2)cc(Br)c1O ZINC000351503125 565955582 /nfs/dbraw/zinc/95/55/82/565955582.db2.gz IQEQFUPTIBLPBK-SECBINFHSA-N 1 2 379.214 3.214 10 0 GGAELO Cc1cn2c([nH+]1)CN(C(=O)N[C@@H](C)Cc1ccc(Br)cc1)CC2 ZINC000360680724 565960704 /nfs/dbraw/zinc/96/07/04/565960704.db2.gz MRWCBLSYHCYNIQ-LBPRGKRZSA-N 1 2 377.286 3.110 10 0 GGAELO C[C@@H](Cc1ccc(Br)cc1)NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000360774821 565961887 /nfs/dbraw/zinc/96/18/87/565961887.db2.gz APGQQVPVRZBQOH-ZFWWWQNUSA-N 1 2 391.313 3.313 10 0 GGAELO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)c2ccc(Br)c(O)c2)C1 ZINC000179228158 565966835 /nfs/dbraw/zinc/96/68/35/565966835.db2.gz DYGBNCUGUARPOW-ZDUSSCGKSA-N 1 2 378.270 3.391 10 0 GGAELO O=C(CCSc1ccccc1Br)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000361277791 565967850 /nfs/dbraw/zinc/96/78/50/565967850.db2.gz FSHHQYOOMYAMTI-LLVKDONJSA-N 1 2 380.311 3.328 10 0 GGAELO O=C(CCSc1ccccc1Br)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000361277791 565967855 /nfs/dbraw/zinc/96/78/55/565967855.db2.gz FSHHQYOOMYAMTI-LLVKDONJSA-N 1 2 380.311 3.328 10 0 GGAELO O=C(Nc1cnn(-c2ccccc2Br)c1)[C@@H]1CCCn2cc[nH+]c21 ZINC000179243279 565968216 /nfs/dbraw/zinc/96/82/16/565968216.db2.gz GLTSODNEOQOUKS-CYBMUJFWSA-N 1 2 386.253 3.347 10 0 GGAELO O=C([C@@H]1COc2ccc(Br)cc21)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000361790912 565973025 /nfs/dbraw/zinc/97/30/25/565973025.db2.gz WKWGDGMOLJIFJJ-CQSZACIVSA-N 1 2 376.254 3.054 10 0 GGAELO O=C([C@@H]1COc2ccc(Br)cc21)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000361790912 565973031 /nfs/dbraw/zinc/97/30/31/565973031.db2.gz WKWGDGMOLJIFJJ-CQSZACIVSA-N 1 2 376.254 3.054 10 0 GGAELO Cc1nc(C(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)c(C)s1 ZINC000179422717 565979332 /nfs/dbraw/zinc/97/93/32/565979332.db2.gz HNIKEXZHVOHRFO-DOTOQJQBSA-N 1 2 379.913 3.215 10 0 GGAELO Cc1nc(C(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)c(C)s1 ZINC000179422717 565979337 /nfs/dbraw/zinc/97/93/37/565979337.db2.gz HNIKEXZHVOHRFO-DOTOQJQBSA-N 1 2 379.913 3.215 10 0 GGAELO Cc1nc(C(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)c(C)s1 ZINC000179422738 565979532 /nfs/dbraw/zinc/97/95/32/565979532.db2.gz HNIKEXZHVOHRFO-NVXWUHKLSA-N 1 2 379.913 3.215 10 0 GGAELO Cc1nc(C(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)c(C)s1 ZINC000179422738 565979536 /nfs/dbraw/zinc/97/95/36/565979536.db2.gz HNIKEXZHVOHRFO-NVXWUHKLSA-N 1 2 379.913 3.215 10 0 GGAELO Cc1nc(C(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)c(C)s1 ZINC000179422702 565979570 /nfs/dbraw/zinc/97/95/70/565979570.db2.gz HNIKEXZHVOHRFO-RDJZCZTQSA-N 1 2 379.913 3.215 10 0 GGAELO Cc1nc(C(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)c(C)s1 ZINC000179422702 565979573 /nfs/dbraw/zinc/97/95/73/565979573.db2.gz HNIKEXZHVOHRFO-RDJZCZTQSA-N 1 2 379.913 3.215 10 0 GGAELO Cn1cc([C@@H]2CCC[N@@H+]2Cc2cc(Br)c3c(c2)OCCO3)cn1 ZINC000179444555 565981121 /nfs/dbraw/zinc/98/11/21/565981121.db2.gz QJJLGFXAAKENPE-HNNXBMFYSA-N 1 2 378.270 3.291 10 0 GGAELO Cn1cc([C@@H]2CCC[N@H+]2Cc2cc(Br)c3c(c2)OCCO3)cn1 ZINC000179444555 565981122 /nfs/dbraw/zinc/98/11/22/565981122.db2.gz QJJLGFXAAKENPE-HNNXBMFYSA-N 1 2 378.270 3.291 10 0 GGAELO C[C@@H]([NH2+]CC(=O)NC(=O)NCC(F)(F)F)c1c(Cl)ccc(F)c1Cl ZINC000179538136 565987578 /nfs/dbraw/zinc/98/75/78/565987578.db2.gz SYYHUMBDFZWIOA-ZCFIWIBFSA-N 1 2 390.164 3.171 10 0 GGAELO O=C(NCc1cc(F)cc(Br)c1)C1CC[NH+](CC(F)F)CC1 ZINC000286979922 565989969 /nfs/dbraw/zinc/98/99/69/565989969.db2.gz BUOZKPULZQXOFD-UHFFFAOYSA-N 1 2 379.220 3.182 10 0 GGAELO CO[C@H](C)c1nc(C[N@H+](C)C[C@H](c2cccs2)N2CCOCC2)cs1 ZINC000245478993 565991796 /nfs/dbraw/zinc/99/17/96/565991796.db2.gz WAGMYPHKHOKKFN-GDBMZVCRSA-N 1 2 381.567 3.417 10 0 GGAELO CO[C@H](C)c1nc(C[N@@H+](C)C[C@H](c2cccs2)N2CCOCC2)cs1 ZINC000245478993 565991800 /nfs/dbraw/zinc/99/18/00/565991800.db2.gz WAGMYPHKHOKKFN-GDBMZVCRSA-N 1 2 381.567 3.417 10 0 GGAELO Cc1nnc([C@H]2C[N@@H+]([C@@H]3CCCc4ccc(Br)cc43)CCO2)[nH]1 ZINC000179614102 565992461 /nfs/dbraw/zinc/99/24/61/565992461.db2.gz FOQIGJBOHZANBX-HZPDHXFCSA-N 1 2 377.286 3.327 10 0 GGAELO Cc1nnc([C@H]2C[N@H+]([C@@H]3CCCc4ccc(Br)cc43)CCO2)[nH]1 ZINC000179614102 565992467 /nfs/dbraw/zinc/99/24/67/565992467.db2.gz FOQIGJBOHZANBX-HZPDHXFCSA-N 1 2 377.286 3.327 10 0 GGAELO C[C@@H](N1CC[NH+](C[C@H]2CC(c3ccc(Cl)cc3)=NO2)CC1)C(F)(F)F ZINC000179615696 565993701 /nfs/dbraw/zinc/99/37/01/565993701.db2.gz WPNHORFHWIBMAV-IUODEOHRSA-N 1 2 375.822 3.401 10 0 GGAELO C[C@H]([NH2+]Cc1cnc2ccc(Br)cn12)c1nnc2n1CCCCC2 ZINC000363168198 565993821 /nfs/dbraw/zinc/99/38/21/565993821.db2.gz VGJOADAEEJSUDM-LBPRGKRZSA-N 1 2 389.301 3.266 10 0 GGAELO COc1ccccc1S(=O)(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000245550487 565996004 /nfs/dbraw/zinc/99/60/04/565996004.db2.gz HRZYNVPHDGHAPP-MAUKXSAKSA-N 1 2 380.897 3.072 10 0 GGAELO COc1ccccc1S(=O)(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000245550487 565996008 /nfs/dbraw/zinc/99/60/08/565996008.db2.gz HRZYNVPHDGHAPP-MAUKXSAKSA-N 1 2 380.897 3.072 10 0 GGAELO O=C1[C@@H]([N@@H+]2CC[C@@](O)(C(F)(F)F)C2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000245545038 565996197 /nfs/dbraw/zinc/99/61/97/565996197.db2.gz LMKFFHQVRKVLOD-JSGCOSHPSA-N 1 2 383.197 3.098 10 0 GGAELO O=C1[C@@H]([N@H+]2CC[C@@](O)(C(F)(F)F)C2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000245545038 565996201 /nfs/dbraw/zinc/99/62/01/565996201.db2.gz LMKFFHQVRKVLOD-JSGCOSHPSA-N 1 2 383.197 3.098 10 0 GGAELO COc1ccccc1S(=O)(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000245550483 565996432 /nfs/dbraw/zinc/99/64/32/565996432.db2.gz HRZYNVPHDGHAPP-CRAIPNDOSA-N 1 2 380.897 3.072 10 0 GGAELO COc1ccccc1S(=O)(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000245550483 565996433 /nfs/dbraw/zinc/99/64/33/565996433.db2.gz HRZYNVPHDGHAPP-CRAIPNDOSA-N 1 2 380.897 3.072 10 0 GGAELO CC[N@@H+]1CC[C@H](NC(=O)c2ncncc2Cl)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245570177 565997222 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382.888 3.344 10 0 GGAELO C[N@@H+]1CC[C@@H](NS(=O)(=O)Cc2cccc(F)c2)[C@H]1c1ccc(Cl)cc1 ZINC000245634011 565998931 /nfs/dbraw/zinc/99/89/31/565998931.db2.gz UTIKHWRYGSXGKQ-QZTJIDSGSA-N 1 2 382.888 3.344 10 0 GGAELO C[N@H+]1CC[C@@H](NS(=O)(=O)Cc2cccc(F)c2)[C@H]1c1ccc(Cl)cc1 ZINC000245634011 565998936 /nfs/dbraw/zinc/99/89/36/565998936.db2.gz UTIKHWRYGSXGKQ-QZTJIDSGSA-N 1 2 382.888 3.344 10 0 GGAELO C[N@@H+]1CC[C@H](NS(=O)(=O)c2ccccc2Cl)[C@H]1c1ccc(F)c(F)c1 ZINC000245668337 566000041 /nfs/dbraw/zinc/00/00/41/566000041.db2.gz JITHGBQUANSFAZ-DOTOQJQBSA-N 1 2 386.851 3.342 10 0 GGAELO C[N@H+]1CC[C@H](NS(=O)(=O)c2ccccc2Cl)[C@H]1c1ccc(F)c(F)c1 ZINC000245668337 566000046 /nfs/dbraw/zinc/00/00/46/566000046.db2.gz JITHGBQUANSFAZ-DOTOQJQBSA-N 1 2 386.851 3.342 10 0 GGAELO O=C(NCc1cc(F)ccc1Br)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000363318274 566000728 /nfs/dbraw/zinc/00/07/28/566000728.db2.gz NEHPJKGZGDVJNE-UHFFFAOYSA-N 1 2 381.249 3.401 10 0 GGAELO O=C(NCc1cc(F)ccc1Br)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000363318274 566000730 /nfs/dbraw/zinc/00/07/30/566000730.db2.gz NEHPJKGZGDVJNE-UHFFFAOYSA-N 1 2 381.249 3.401 10 0 GGAELO O=C(NC[C@H]1CC[NH2+]CC1(F)F)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000415511761 566002164 /nfs/dbraw/zinc/00/21/64/566002164.db2.gz ACDDYHBCCGSAPL-PWSUYJOCSA-N 1 2 385.764 3.487 10 0 GGAELO O[C@H](C[N@@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1)c1cccc(Br)c1 ZINC000245717485 566002882 /nfs/dbraw/zinc/00/28/82/566002882.db2.gz GWSAQKOWNZXYIJ-GDBMZVCRSA-N 1 2 391.313 3.358 10 0 GGAELO O[C@H](C[N@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1)c1cccc(Br)c1 ZINC000245717485 566002884 /nfs/dbraw/zinc/00/28/84/566002884.db2.gz GWSAQKOWNZXYIJ-GDBMZVCRSA-N 1 2 391.313 3.358 10 0 GGAELO C[N@@H+]1CC[C@@H](NC(=O)c2coc(Br)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000245721124 566003720 /nfs/dbraw/zinc/00/37/20/566003720.db2.gz WASHJHZIGUILAR-UKRRQHHQSA-N 1 2 385.208 3.496 10 0 GGAELO C[N@H+]1CC[C@@H](NC(=O)c2coc(Br)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000245721124 566003723 /nfs/dbraw/zinc/00/37/23/566003723.db2.gz 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ZINC000179798447 566008602 /nfs/dbraw/zinc/00/86/02/566008602.db2.gz KWFYMXGVSZOZLV-UHFFFAOYSA-N 1 2 378.245 3.230 10 0 GGAELO CC(=O)N(c1nc(C[N@H+](C[C@@H]2CCCO2)[C@H]2CCSC2)cs1)C1CC1 ZINC000245918235 566010530 /nfs/dbraw/zinc/01/05/30/566010530.db2.gz SGVVSGVSCCSERO-IRXDYDNUSA-N 1 2 381.567 3.145 10 0 GGAELO CC(=O)N(c1nc(C[N@@H+](C[C@@H]2CCCO2)[C@H]2CCSC2)cs1)C1CC1 ZINC000245918235 566010532 /nfs/dbraw/zinc/01/05/32/566010532.db2.gz SGVVSGVSCCSERO-IRXDYDNUSA-N 1 2 381.567 3.145 10 0 GGAELO CC[C@H](CSC)N(C)C(=O)NC[C@@H](c1cccs1)[N@@H+]1CCO[C@@H](C)C1 ZINC000245972439 566012205 /nfs/dbraw/zinc/01/22/05/566012205.db2.gz FVCBFHKEHLTHIL-XHSDSOJGSA-N 1 2 385.599 3.293 10 0 GGAELO CC[C@H](CSC)N(C)C(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@@H](C)C1 ZINC000245972439 566012212 /nfs/dbraw/zinc/01/22/12/566012212.db2.gz FVCBFHKEHLTHIL-XHSDSOJGSA-N 1 2 385.599 3.293 10 0 GGAELO O[C@]1(C(F)(F)F)CC[N@H+](Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000179866376 566015131 /nfs/dbraw/zinc/01/51/31/566015131.db2.gz 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Brc1ccc(C[N@@H+]2CCO[C@H](Cn3cccn3)C2)c2ncccc12 ZINC000180117072 566033897 /nfs/dbraw/zinc/03/38/97/566033897.db2.gz FORHWELHWMGLRG-HNNXBMFYSA-N 1 2 387.281 3.095 10 0 GGAELO Brc1ccc(C[N@H+]2CCO[C@H](Cn3cccn3)C2)c2ncccc12 ZINC000180117072 566033900 /nfs/dbraw/zinc/03/39/00/566033900.db2.gz FORHWELHWMGLRG-HNNXBMFYSA-N 1 2 387.281 3.095 10 0 GGAELO CC(C)S(=O)(=O)CCC[N@@H+]1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000246572396 566033907 /nfs/dbraw/zinc/03/39/07/566033907.db2.gz FOFQJGQBBIEJAZ-CVEARBPZSA-N 1 2 379.444 3.026 10 0 GGAELO CC(C)S(=O)(=O)CCC[N@H+]1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000246572396 566033912 /nfs/dbraw/zinc/03/39/12/566033912.db2.gz FOFQJGQBBIEJAZ-CVEARBPZSA-N 1 2 379.444 3.026 10 0 GGAELO COc1ccc(Br)cc1[C@@H]1CCC[N@@H+]1C[C@@H](C)CS(C)(=O)=O ZINC000246683715 566036833 /nfs/dbraw/zinc/03/68/33/566036833.db2.gz XZZFRJAXWCLKSD-DOMZBBRYSA-N 1 2 390.343 3.275 10 0 GGAELO COc1ccc(Br)cc1[C@@H]1CCC[N@H+]1C[C@@H](C)CS(C)(=O)=O ZINC000246683715 566036836 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GGAELO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccsc1Br ZINC000449070386 566525054 /nfs/dbraw/zinc/52/50/54/566525054.db2.gz CKOWIFXPZHJPST-CQSZACIVSA-N 1 2 395.322 3.141 10 0 GGAELO C[C@@H](c1ccccc1Cl)[NH+]1CCN(C(=O)NCCCOC(F)F)CC1 ZINC000512309425 566526024 /nfs/dbraw/zinc/52/60/24/566526024.db2.gz PENNGXLNIMDZCU-ZDUSSCGKSA-N 1 2 375.847 3.358 10 0 GGAELO C[C@@H](Cc1ccccc1Br)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651495207 566526624 /nfs/dbraw/zinc/52/66/24/566526624.db2.gz CDVUIDCLSLYBKE-ZDUSSCGKSA-N 1 2 376.298 3.272 10 0 GGAELO C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651528794 566528939 /nfs/dbraw/zinc/52/89/39/566528939.db2.gz MGCUSUZNRLBNPX-GFCCVEGCSA-N 1 2 394.288 3.411 10 0 GGAELO O[C@@H](C[NH2+]Cc1n[nH]cc1Br)COc1c(Cl)cccc1Cl ZINC000578521528 566529977 /nfs/dbraw/zinc/52/99/77/566529977.db2.gz BURAZLXWPIQAPS-QMMMGPOBSA-N 1 2 395.084 3.009 10 0 GGAELO COCc1nc(C[NH2+][C@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)c(F)c2)cs1 ZINC000559145551 566530125 /nfs/dbraw/zinc/53/01/25/566530125.db2.gz KYCUAGVHRFJLGO-WMLDXEAASA-N 1 2 383.876 3.144 10 0 GGAELO CN(CCCn1cc[nH+]c1)C(=O)[C@H]1CCOc2ccc(Br)cc21 ZINC000651536315 566531052 /nfs/dbraw/zinc/53/10/52/566531052.db2.gz RTIGVRHTMOXTJP-AWEZNQCLSA-N 1 2 378.270 3.060 10 0 GGAELO O=S(=O)(Cc1cc(Cl)sc1Cl)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000651548511 566532176 /nfs/dbraw/zinc/53/21/76/566532176.db2.gz BGIKGLYDHVYGOE-LLVKDONJSA-N 1 2 380.322 3.418 10 0 GGAELO O=C(Cc1cn2c([nH+]1)CCCC2)NCc1cc2cccnc2cc1Br ZINC000651545587 566532270 /nfs/dbraw/zinc/53/22/70/566532270.db2.gz OSEIWTLZDMLEEV-UHFFFAOYSA-N 1 2 399.292 3.389 10 0 GGAELO Cc1cc(Br)c(F)c(C(=O)N(CC[NH+]2CCOCC2)CC2CC2)c1 ZINC000628133313 566534464 /nfs/dbraw/zinc/53/44/64/566534464.db2.gz YMQUOYKXWODSDT-UHFFFAOYSA-N 1 2 399.304 3.081 10 0 GGAELO Cc1cc(CN2CCC[N@H+](Cc3cscn3)CC2)ncc1Br ZINC000628162811 566538091 /nfs/dbraw/zinc/53/80/91/566538091.db2.gz FKWJSYRWHXSFBS-UHFFFAOYSA-N 1 2 381.343 3.317 10 0 GGAELO Cc1cc(CN2CCC[N@@H+](Cc3cscn3)CC2)ncc1Br ZINC000628162811 566538093 /nfs/dbraw/zinc/53/80/93/566538093.db2.gz FKWJSYRWHXSFBS-UHFFFAOYSA-N 1 2 381.343 3.317 10 0 GGAELO Cc1cc(C[N@@H+]2CCCN(Cc3cscn3)CC2)ncc1Br ZINC000628162811 566538096 /nfs/dbraw/zinc/53/80/96/566538096.db2.gz FKWJSYRWHXSFBS-UHFFFAOYSA-N 1 2 381.343 3.317 10 0 GGAELO Cc1cc(C[N@H+]2CCCN(Cc3cscn3)CC2)ncc1Br ZINC000628162811 566538097 /nfs/dbraw/zinc/53/80/97/566538097.db2.gz FKWJSYRWHXSFBS-UHFFFAOYSA-N 1 2 381.343 3.317 10 0 GGAELO OCC[C@H]1CSCC[N@@H+]1Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000538811284 566538378 /nfs/dbraw/zinc/53/83/78/566538378.db2.gz FTAYEMDZULNAFL-AWEZNQCLSA-N 1 2 382.327 3.139 10 0 GGAELO OCC[C@H]1CSCC[N@H+]1Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000538811284 566538386 /nfs/dbraw/zinc/53/83/86/566538386.db2.gz FTAYEMDZULNAFL-AWEZNQCLSA-N 1 2 382.327 3.139 10 0 GGAELO COC(=O)[C@H](c1cc(Cl)cc(Cl)c1)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000512478405 566538416 /nfs/dbraw/zinc/53/84/16/566538416.db2.gz BYNCBINKMOVIOI-VUCTXSBTSA-N 1 2 387.307 3.003 10 0 GGAELO COc1c(Br)ccc(C)c1C(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000424552469 566539335 /nfs/dbraw/zinc/53/93/35/566539335.db2.gz ABYPMPOKVFBHID-UHFFFAOYSA-N 1 2 393.281 3.317 10 0 GGAELO Cc1cccc(Br)c1C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000578632906 566540644 /nfs/dbraw/zinc/54/06/44/566540644.db2.gz UEFTVTOZCCIKID-UHFFFAOYSA-N 1 2 376.176 3.446 10 0 GGAELO C[C@H](CCc1ccc(Br)cc1)NC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000538837791 566540883 /nfs/dbraw/zinc/54/08/83/566540883.db2.gz AXFLJOSCKJCBSW-OAHLLOKOSA-N 1 2 395.341 3.141 10 0 GGAELO CS(=O)(=O)[C@@H]1CCCC[N@H+](Cc2cccc(F)c2OCC(F)(F)F)C1 ZINC000628252989 566541538 /nfs/dbraw/zinc/54/15/38/566541538.db2.gz PSGACLXOBCUBAH-CYBMUJFWSA-N 1 2 383.407 3.166 10 0 GGAELO CS(=O)(=O)[C@@H]1CCCC[N@@H+](Cc2cccc(F)c2OCC(F)(F)F)C1 ZINC000628252989 566541541 /nfs/dbraw/zinc/54/15/41/566541541.db2.gz PSGACLXOBCUBAH-CYBMUJFWSA-N 1 2 383.407 3.166 10 0 GGAELO O=C(Nc1ccc2[nH+]ccn2c1)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000603883625 566543566 /nfs/dbraw/zinc/54/35/66/566543566.db2.gz HKKPUUKMCCVKDS-HNNXBMFYSA-N 1 2 399.248 3.088 10 0 GGAELO Cc1[nH+]c2ccccc2n1CC(=O)Nc1cnc2c(Br)cccn12 ZINC000578671000 566543792 /nfs/dbraw/zinc/54/37/92/566543792.db2.gz NCXQSYNLYZYEDO-UHFFFAOYSA-N 1 2 384.237 3.394 10 0 GGAELO CCN(CC)c1ccc(CNC(=O)c2cnc(OC)c(Br)c2)c[nH+]1 ZINC000424590963 566543870 /nfs/dbraw/zinc/54/38/70/566543870.db2.gz MKUGXCDCUJLDRU-UHFFFAOYSA-N 1 2 393.285 3.024 10 0 GGAELO CN(CCCn1cc[nH+]c1)C(=O)C(=O)Nc1cc(Cl)c(Cl)c(Cl)c1 ZINC000651627622 566545114 /nfs/dbraw/zinc/54/51/14/566545114.db2.gz GPIWRTPIVCJYGX-UHFFFAOYSA-N 1 2 389.670 3.331 10 0 GGAELO COC[C@H]1C[C@@H](O)C[N@@H+]1Cc1cc(Br)c(C)cc1Br ZINC000628325093 566546149 /nfs/dbraw/zinc/54/61/49/566546149.db2.gz YDEITKFUBUWGSL-VXGBXAGGSA-N 1 2 393.119 3.102 10 0 GGAELO COC[C@H]1C[C@@H](O)C[N@H+]1Cc1cc(Br)c(C)cc1Br ZINC000628325093 566546162 /nfs/dbraw/zinc/54/61/62/566546162.db2.gz YDEITKFUBUWGSL-VXGBXAGGSA-N 1 2 393.119 3.102 10 0 GGAELO COC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cc(Br)c(C)cc1Br ZINC000628324534 566546196 /nfs/dbraw/zinc/54/61/96/566546196.db2.gz YDEITKFUBUWGSL-NWDGAFQWSA-N 1 2 393.119 3.102 10 0 GGAELO COC[C@@H]1C[C@@H](O)C[N@H+]1Cc1cc(Br)c(C)cc1Br ZINC000628324534 566546200 /nfs/dbraw/zinc/54/62/00/566546200.db2.gz YDEITKFUBUWGSL-NWDGAFQWSA-N 1 2 393.119 3.102 10 0 GGAELO CC(=O)NCC[N@@H+](C)Cc1cc(Br)c(C)cc1Br ZINC000628322450 566546369 /nfs/dbraw/zinc/54/63/69/566546369.db2.gz UJWDRXQESBDPEF-UHFFFAOYSA-N 1 2 378.108 3.088 10 0 GGAELO CC(=O)NCC[N@H+](C)Cc1cc(Br)c(C)cc1Br ZINC000628322450 566546371 /nfs/dbraw/zinc/54/63/71/566546371.db2.gz UJWDRXQESBDPEF-UHFFFAOYSA-N 1 2 378.108 3.088 10 0 GGAELO O=C(NCC/C=C/c1ccc(Br)cc1)C1([NH+]2CCOCC2)CCC1 ZINC000628334861 566547465 /nfs/dbraw/zinc/54/74/65/566547465.db2.gz ADSMBDFZUCYJBS-DAFODLJHSA-N 1 2 393.325 3.224 10 0 GGAELO O=C(Cn1cc[nH+]c1)Nc1ncc(Cc2ccc(Br)cc2)s1 ZINC000673642673 566547994 /nfs/dbraw/zinc/54/79/94/566547994.db2.gz CCPMAIFBBDQOPZ-UHFFFAOYSA-N 1 2 377.267 3.332 10 0 GGAELO O=C(Cc1noc2ccc(Br)cc12)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000424627478 566548206 /nfs/dbraw/zinc/54/82/06/566548206.db2.gz KTFVRGQDQZLICT-UHFFFAOYSA-N 1 2 389.253 3.262 10 0 GGAELO COc1cc(NC(=O)Cc2cn3c([nH+]2)CCCC3)cc(OC)c1Br ZINC000651661365 566549035 /nfs/dbraw/zinc/54/90/35/566549035.db2.gz WKAXYLAQLZOOMP-UHFFFAOYSA-N 1 2 394.269 3.180 10 0 GGAELO O=C(Cn1cc[nH+]c1)N1CCCC[C@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000578717598 566549234 /nfs/dbraw/zinc/54/92/34/566549234.db2.gz FINREPPMSOJXNP-HNNXBMFYSA-N 1 2 381.263 3.210 10 0 GGAELO CCOc1ccc(N2CC[NH+](Cc3ccsc3Br)CC2)nn1 ZINC000628352512 566550699 /nfs/dbraw/zinc/55/06/99/566550699.db2.gz LMYYUCIMINTRRY-UHFFFAOYSA-N 1 2 383.315 3.022 10 0 GGAELO CC(C)(C)[N@@H+]1CCc2nc(NS(=O)(=O)c3cccc(F)c3F)sc2C1 ZINC000578757866 566551427 /nfs/dbraw/zinc/55/14/27/566551427.db2.gz YWAIIXQPDTWWBH-UHFFFAOYSA-N 1 2 387.477 3.379 10 0 GGAELO CC(C)(C)[N@H+]1CCc2nc(NS(=O)(=O)c3cccc(F)c3F)sc2C1 ZINC000578757866 566551431 /nfs/dbraw/zinc/55/14/31/566551431.db2.gz YWAIIXQPDTWWBH-UHFFFAOYSA-N 1 2 387.477 3.379 10 0 GGAELO COCc1cnc(C[NH2+]Cc2cc(OC)c(OC)cc2Br)s1 ZINC000538968397 566552230 /nfs/dbraw/zinc/55/22/30/566552230.db2.gz DOHNUCGDYRXQJY-UHFFFAOYSA-N 1 2 387.299 3.359 10 0 GGAELO NC(=O)c1cc(F)ccc1N1CC[NH+](Cc2ccsc2Br)CC1 ZINC000628361546 566552332 /nfs/dbraw/zinc/55/23/32/566552332.db2.gz LWELUZHFTSGXIM-UHFFFAOYSA-N 1 2 398.301 3.071 10 0 GGAELO CN(C)c1noc(C[N@@H+]2CCCC[C@@H]2Cc2ccccc2Br)n1 ZINC000559479293 566552528 /nfs/dbraw/zinc/55/25/28/566552528.db2.gz DZWGOOQJMIDMKN-CQSZACIVSA-N 1 2 379.302 3.495 10 0 GGAELO CN(C)c1noc(C[N@H+]2CCCC[C@@H]2Cc2ccccc2Br)n1 ZINC000559479293 566552535 /nfs/dbraw/zinc/55/25/35/566552535.db2.gz DZWGOOQJMIDMKN-CQSZACIVSA-N 1 2 379.302 3.495 10 0 GGAELO CS(=O)(=O)CC1CC[NH+](Cc2cnc(-c3c(F)cccc3F)s2)CC1 ZINC000449342010 566552676 /nfs/dbraw/zinc/55/26/76/566552676.db2.gz YIQAFVXWWHXKCQ-UHFFFAOYSA-N 1 2 386.489 3.345 10 0 GGAELO Cc1cn2c([nH+]1)CN(C(=O)c1ccc(Br)c(OC(C)C)c1)CC2 ZINC000651700350 566553411 /nfs/dbraw/zinc/55/34/11/566553411.db2.gz ARDJLCPBTLIJLX-UHFFFAOYSA-N 1 2 378.270 3.397 10 0 GGAELO CSc1cc(Br)ccc1C[NH+]1CCN(c2cccnn2)CC1 ZINC000512723681 566554182 /nfs/dbraw/zinc/55/41/82/566554182.db2.gz WRTCJBBEZAKGPB-UHFFFAOYSA-N 1 2 379.327 3.283 10 0 GGAELO Cc1sc(C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)cc1Br ZINC000424664888 566554911 /nfs/dbraw/zinc/55/49/11/566554911.db2.gz MXHHCHKULMBMAR-CYBMUJFWSA-N 1 2 387.343 3.146 10 0 GGAELO Cc1ccn2cc(CNC(=O)c3ccccc3I)[nH+]c2c1 ZINC000604197120 566557201 /nfs/dbraw/zinc/55/72/01/566557201.db2.gz FHPVNADHPGIDSA-UHFFFAOYSA-N 1 2 391.212 3.177 10 0 GGAELO Cc1nc(C[NH2+]Cc2ccccc2N2CCOCC2)sc1Br ZINC000449403405 566558030 /nfs/dbraw/zinc/55/80/30/566558030.db2.gz WBMIGWKOCRPJHD-UHFFFAOYSA-N 1 2 382.327 3.340 10 0 GGAELO C[C@@H](C[NH+]1CCN(c2ccc(C(F)(F)F)cc2Cl)CC1)CS(C)(=O)=O ZINC000512805890 566558621 /nfs/dbraw/zinc/55/86/21/566558621.db2.gz NLIIOIIFVVILAD-LBPRGKRZSA-N 1 2 398.878 3.162 10 0 GGAELO COC[C@]1(C)C[N@H+](Cc2c[nH]nc2-c2ccc(Br)s2)CCO1 ZINC000628498670 566562128 /nfs/dbraw/zinc/56/21/28/566562128.db2.gz SUKYPNVLWWZYSH-HNNXBMFYSA-N 1 2 386.315 3.138 10 0 GGAELO COC[C@]1(C)C[N@@H+](Cc2c[nH]nc2-c2ccc(Br)s2)CCO1 ZINC000628498670 566562132 /nfs/dbraw/zinc/56/21/32/566562132.db2.gz SUKYPNVLWWZYSH-HNNXBMFYSA-N 1 2 386.315 3.138 10 0 GGAELO COc1cc(Br)ccc1C[NH2+][C@H](c1nccn1C)C(C)(C)CO ZINC000449442348 566562767 /nfs/dbraw/zinc/56/27/67/566562767.db2.gz KJYJGLNLBYUFGZ-OAHLLOKOSA-N 1 2 382.302 3.041 10 0 GGAELO COc1cc(C)c(Br)cc1S(=O)(=O)Nc1ccc2[nH+]ccn2c1 ZINC000673897618 566565507 /nfs/dbraw/zinc/56/55/07/566565507.db2.gz KACNYCZHODWFKP-UHFFFAOYSA-N 1 2 396.266 3.215 10 0 GGAELO CCCn1cc(C[N@H+](C)[C@@H](CO)c2cc(OC)ccc2Br)cn1 ZINC000449468624 566565876 /nfs/dbraw/zinc/56/58/76/566565876.db2.gz FFVSHUPGYQJZHC-KRWDZBQOSA-N 1 2 382.302 3.230 10 0 GGAELO CCCn1cc(C[N@@H+](C)[C@@H](CO)c2cc(OC)ccc2Br)cn1 ZINC000449468624 566565885 /nfs/dbraw/zinc/56/58/85/566565885.db2.gz FFVSHUPGYQJZHC-KRWDZBQOSA-N 1 2 382.302 3.230 10 0 GGAELO CCCOc1c(Br)cc(C[N@@H+]2CC[C@](O)(C(F)F)C2)cc1OC ZINC000449468709 566565990 /nfs/dbraw/zinc/56/59/90/566565990.db2.gz LDPWGJVNYQLVJO-MRXNPFEDSA-N 1 2 394.256 3.448 10 0 GGAELO CCCOc1c(Br)cc(C[N@H+]2CC[C@](O)(C(F)F)C2)cc1OC ZINC000449468709 566565998 /nfs/dbraw/zinc/56/59/98/566565998.db2.gz LDPWGJVNYQLVJO-MRXNPFEDSA-N 1 2 394.256 3.448 10 0 GGAELO CC(C)Cc1ccc(S(=O)(=O)NCc2[nH+]ccn2CC(F)(F)F)cc1 ZINC000539172104 566566387 /nfs/dbraw/zinc/56/63/87/566566387.db2.gz FGBGSXNPZVLECA-UHFFFAOYSA-N 1 2 375.416 3.122 10 0 GGAELO COc1c(Br)ccc(C)c1C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000424750685 566566818 /nfs/dbraw/zinc/56/68/18/566566818.db2.gz LOXLXCMVEIJPLG-GFCCVEGCSA-N 1 2 378.270 3.129 10 0 GGAELO CCOc1c(Br)cc(C[N@@H+]2CC[C@@](O)(C(F)F)C2)cc1OC ZINC000449476621 566567656 /nfs/dbraw/zinc/56/76/56/566567656.db2.gz VSGKDMKNHIRCHG-HNNXBMFYSA-N 1 2 380.229 3.058 10 0 GGAELO CCOc1c(Br)cc(C[N@H+]2CC[C@@](O)(C(F)F)C2)cc1OC ZINC000449476621 566567661 /nfs/dbraw/zinc/56/76/61/566567661.db2.gz VSGKDMKNHIRCHG-HNNXBMFYSA-N 1 2 380.229 3.058 10 0 GGAELO C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]Cc1nn(C)cc1Br ZINC000449482508 566567901 /nfs/dbraw/zinc/56/79/01/566567901.db2.gz BXUMSQDKQBWNKF-JTQLQIEISA-N 1 2 385.693 3.343 10 0 GGAELO COc1ccc(Br)c([C@@H](CO)[N@H+](C)Cc2nc(C)ccc2O)c1 ZINC000449475691 566568248 /nfs/dbraw/zinc/56/82/48/566568248.db2.gz XXBGYDCOTXINQW-MRXNPFEDSA-N 1 2 381.270 3.032 10 0 GGAELO COc1ccc(Br)c([C@@H](CO)[N@@H+](C)Cc2nc(C)ccc2O)c1 ZINC000449475691 566568251 /nfs/dbraw/zinc/56/82/51/566568251.db2.gz XXBGYDCOTXINQW-MRXNPFEDSA-N 1 2 381.270 3.032 10 0 GGAELO Cc1ccc(NC(=O)C[C@@H](C)[NH2+]Cc2nn(C)cc2Br)c(C)c1 ZINC000449487761 566569037 /nfs/dbraw/zinc/56/90/37/566569037.db2.gz ZCZRJNQCTWUAFJ-CYBMUJFWSA-N 1 2 379.302 3.306 10 0 GGAELO Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]Cc1nn(C)cc1Br ZINC000449487472 566569170 /nfs/dbraw/zinc/56/91/70/566569170.db2.gz YIMGBSFGVRGNRJ-UHFFFAOYSA-N 1 2 392.276 3.414 10 0 GGAELO Cc1cccc(NC(=O)C[C@@H](C)[NH2+]Cc2nn(C)cc2Br)c1C ZINC000449487400 566569622 /nfs/dbraw/zinc/56/96/22/566569622.db2.gz XSCMJYFWGMITPK-GFCCVEGCSA-N 1 2 379.302 3.306 10 0 GGAELO Cc1ccn2cc(CNc3cc(Br)cc(F)c3C(N)=O)[nH+]c2c1 ZINC000512917085 566569803 /nfs/dbraw/zinc/56/98/03/566569803.db2.gz NSJHFBWRBWDRAR-UHFFFAOYSA-N 1 2 377.217 3.255 10 0 GGAELO Cn1cc(Br)c(C[NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)n1 ZINC000449485145 566569901 /nfs/dbraw/zinc/56/99/01/566569901.db2.gz PCLVMEWTXWITCW-UHFFFAOYSA-N 1 2 380.286 3.428 10 0 GGAELO CCc1nc(C[NH2+]CCS(=O)(=O)c2cccc(Br)c2)cs1 ZINC000578981842 566570171 /nfs/dbraw/zinc/57/01/71/566570171.db2.gz SDFPHFODGJWYDT-UHFFFAOYSA-N 1 2 389.340 3.032 10 0 GGAELO CN(Cc1ccc(Br)c(F)c1)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651883155 566571378 /nfs/dbraw/zinc/57/13/78/566571378.db2.gz XZUYUVCBLDZEGC-UHFFFAOYSA-N 1 2 380.261 3.322 10 0 GGAELO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cnc(OC)c(Br)c1 ZINC000424803409 566572729 /nfs/dbraw/zinc/57/27/29/566572729.db2.gz MHYNPPOGUVSYFW-UHFFFAOYSA-N 1 2 395.301 3.164 10 0 GGAELO C[C@@H]([NH2+][C@@H](C)c1ncc(Br)cn1)c1ccc(C(=O)N(C)C)cc1 ZINC000559862352 566573289 /nfs/dbraw/zinc/57/32/89/566573289.db2.gz KXBKFYAKMIODNZ-NEPJUHHUSA-N 1 2 377.286 3.353 10 0 GGAELO C[C@H]([NH2+][C@@H](C)c1ncc(Br)cn1)c1cccc(NS(C)(=O)=O)c1 ZINC000559861687 566573416 /nfs/dbraw/zinc/57/34/16/566573416.db2.gz CJXUEOAMNLRRQX-QWRGUYRKSA-N 1 2 399.314 3.022 10 0 GGAELO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1nc2ccc(Br)cc2o1 ZINC000579064976 566576304 /nfs/dbraw/zinc/57/63/04/566576304.db2.gz XEPWCNFWULMVIS-PKWAYOAASA-N 1 2 379.254 3.364 10 0 GGAELO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1nc2ccc(Br)cc2o1 ZINC000579064976 566576311 /nfs/dbraw/zinc/57/63/11/566576311.db2.gz XEPWCNFWULMVIS-PKWAYOAASA-N 1 2 379.254 3.364 10 0 GGAELO O=C(Cc1cn2c([nH+]1)CCCC2)N[C@H]1CSc2ccc(Br)cc21 ZINC000651921455 566576737 /nfs/dbraw/zinc/57/67/37/566576737.db2.gz KLCPEFRSWJDWHF-AWEZNQCLSA-N 1 2 392.322 3.488 10 0 GGAELO O=C(Cc1cn2c([nH+]1)CCCC2)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1 ZINC000651948181 566579897 /nfs/dbraw/zinc/57/98/97/566579897.db2.gz FMUBJZMDUMHTRC-XJKSGUPXSA-N 1 2 392.272 3.336 10 0 GGAELO C[C@@H]1C[C@H]1c1noc(CC2CC[NH+](Cc3c(Br)cnn3C)CC2)n1 ZINC000651954269 566580071 /nfs/dbraw/zinc/58/00/71/566580071.db2.gz IMTFQOZVDPMHAP-DGCLKSJQSA-N 1 2 394.317 3.144 10 0 GGAELO COCc1cnc(C[NH+]2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)s1 ZINC000539408334 566580292 /nfs/dbraw/zinc/58/02/92/566580292.db2.gz FEAQUSZKWXCABM-UHFFFAOYSA-N 1 2 380.901 3.189 10 0 GGAELO O[C@H]([C@@H]1CC[N@H+](Cc2ccc(I)cc2)C1)C(F)(F)F ZINC000449669316 566587569 /nfs/dbraw/zinc/58/75/69/566587569.db2.gz HRHYHZUHCGWUQC-ZYHUDNBSSA-N 1 2 385.167 3.036 10 0 GGAELO O[C@H]([C@@H]1CC[N@@H+](Cc2ccc(I)cc2)C1)C(F)(F)F ZINC000449669316 566587575 /nfs/dbraw/zinc/58/75/75/566587575.db2.gz HRHYHZUHCGWUQC-ZYHUDNBSSA-N 1 2 385.167 3.036 10 0 GGAELO O[C@@H]([C@@H]1CC[N@H+](Cc2cn(-c3cccc(Cl)c3Cl)nn2)C1)C(F)(F)F ZINC000449674462 566587595 /nfs/dbraw/zinc/58/75/95/566587595.db2.gz UWVOGJHSXBCVGM-OTYXRUKQSA-N 1 2 395.212 3.319 10 0 GGAELO O[C@@H]([C@@H]1CC[N@@H+](Cc2cn(-c3cccc(Cl)c3Cl)nn2)C1)C(F)(F)F ZINC000449674462 566587603 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C[N@@H+]1CCN(S(=O)(=O)c2c(F)cccc2Cl)C[C@H]1Cc1ccccc1 ZINC000560069902 566595626 /nfs/dbraw/zinc/59/56/26/566595626.db2.gz MUDGYSSRZDTEKB-OAHLLOKOSA-N 1 2 382.888 3.027 10 0 GGAELO C[N@H+]1CCN(S(=O)(=O)c2c(F)cccc2Cl)C[C@H]1Cc1ccccc1 ZINC000560069902 566595629 /nfs/dbraw/zinc/59/56/29/566595629.db2.gz MUDGYSSRZDTEKB-OAHLLOKOSA-N 1 2 382.888 3.027 10 0 GGAELO Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628919679 566597380 /nfs/dbraw/zinc/59/73/80/566597380.db2.gz IRFSUQPMBANCDP-LLVKDONJSA-N 1 2 384.263 3.017 10 0 GGAELO Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628919679 566597384 /nfs/dbraw/zinc/59/73/84/566597384.db2.gz IRFSUQPMBANCDP-LLVKDONJSA-N 1 2 384.263 3.017 10 0 GGAELO COC(=O)[C@@H]([NH2+]CCOc1ccc(Br)cc1C(F)(F)F)C1CC1 ZINC000513432111 566602292 /nfs/dbraw/zinc/60/22/92/566602292.db2.gz OECOWFBSNXZVQQ-ZDUSSCGKSA-N 1 2 396.203 3.388 10 0 GGAELO O=C([C@H](c1ccc(Br)cc1)[NH+]1CCCC1)N1CCO[C@H](CCF)C1 ZINC000629016729 566606010 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C[N@H+]1CCO[C@H](C(=O)N2CCC[C@H]2c2ccc(Br)cc2Cl)C1 ZINC000629077802 566610382 /nfs/dbraw/zinc/61/03/82/566610382.db2.gz NMVBHOPAYDWHQP-GJZGRUSLSA-N 1 2 387.705 3.097 10 0 GGAELO C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H]2c2ccc(Br)cc2Cl)C1 ZINC000629077798 566610511 /nfs/dbraw/zinc/61/05/11/566610511.db2.gz NMVBHOPAYDWHQP-CABCVRRESA-N 1 2 387.705 3.097 10 0 GGAELO C[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H]2c2ccc(Br)cc2Cl)C1 ZINC000629077798 566610515 /nfs/dbraw/zinc/61/05/15/566610515.db2.gz NMVBHOPAYDWHQP-CABCVRRESA-N 1 2 387.705 3.097 10 0 GGAELO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3cccc(I)c3)[C@H]2C1 ZINC000560260979 566612031 /nfs/dbraw/zinc/61/20/31/566612031.db2.gz KPUPLCJGGHXIMB-OWCLPIDISA-N 1 2 387.261 3.060 10 0 GGAELO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3cccc(I)c3)[C@H]2C1 ZINC000560260979 566612037 /nfs/dbraw/zinc/61/20/37/566612037.db2.gz KPUPLCJGGHXIMB-OWCLPIDISA-N 1 2 387.261 3.060 10 0 GGAELO CO[C@@H](C)c1nc(C)c(C(=O)N2CC[NH+](CCc3cccs3)CC2)s1 ZINC000486696482 566613608 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COc1cnccc1[C@H](C)[NH2+]Cc1cn(-c2ccccc2Br)nn1 ZINC000562079732 566763989 /nfs/dbraw/zinc/76/39/89/566763989.db2.gz SAZHFPMWNSDLPB-LBPRGKRZSA-N 1 2 388.269 3.284 10 0 GGAELO CC1(C)C[N@@H+]([C@@H](CNC(=O)CC2CSC2)c2ccc(Cl)cc2)CCO1 ZINC000630925357 566764600 /nfs/dbraw/zinc/76/46/00/566764600.db2.gz DPZZUVCYHHHBHW-KRWDZBQOSA-N 1 2 382.957 3.361 10 0 GGAELO CC1(C)C[N@H+]([C@@H](CNC(=O)CC2CSC2)c2ccc(Cl)cc2)CCO1 ZINC000630925357 566764610 /nfs/dbraw/zinc/76/46/10/566764610.db2.gz DPZZUVCYHHHBHW-KRWDZBQOSA-N 1 2 382.957 3.361 10 0 GGAELO C[N@@H+]1CC[C@H](NC(=O)c2scc3c2OCCO3)[C@H]1c1ccc(Cl)cc1 ZINC000654969733 566769045 /nfs/dbraw/zinc/76/90/45/566769045.db2.gz FTUORZIFBDTPHW-DZGCQCFKSA-N 1 2 378.881 3.348 10 0 GGAELO C[N@H+]1CC[C@H](NC(=O)c2scc3c2OCCO3)[C@H]1c1ccc(Cl)cc1 ZINC000654969733 566769052 /nfs/dbraw/zinc/76/90/52/566769052.db2.gz FTUORZIFBDTPHW-DZGCQCFKSA-N 1 2 378.881 3.348 10 0 GGAELO C[C@@H](Cc1ccc(Br)cc1)NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000489101173 566769717 /nfs/dbraw/zinc/76/97/17/566769717.db2.gz RSKPTHNPCRFUHM-KBXCAEBGSA-N 1 2 395.341 3.140 10 0 GGAELO C[C@@H](Cc1ccc(Br)cc1)NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000489101173 566769718 /nfs/dbraw/zinc/76/97/18/566769718.db2.gz RSKPTHNPCRFUHM-KBXCAEBGSA-N 1 2 395.341 3.140 10 0 GGAELO CC[N@@H+]1CC[C@H](NC(=O)NC[C@@H](C)SC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000542044875 566771373 /nfs/dbraw/zinc/77/13/73/566771373.db2.gz MGNOVSKUFACGHR-FUEDEBDSSA-N 1 2 375.460 3.290 10 0 GGAELO CC[N@H+]1CC[C@H](NC(=O)NC[C@@H](C)SC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000542044875 566771378 /nfs/dbraw/zinc/77/13/78/566771378.db2.gz MGNOVSKUFACGHR-FUEDEBDSSA-N 1 2 375.460 3.290 10 0 GGAELO COc1cc(S(=O)(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)ccc1F ZINC000469214770 566772196 /nfs/dbraw/zinc/77/21/96/566772196.db2.gz QSLVPEKNXAKHQJ-INIZCTEOSA-N 1 2 386.876 3.069 10 0 GGAELO CC[N@@H+]1CC[C@H](NC(=O)NC[C@@H](C)SC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000542044877 566772360 /nfs/dbraw/zinc/77/23/60/566772360.db2.gz MGNOVSKUFACGHR-OOVXXXAESA-N 1 2 375.460 3.290 10 0 GGAELO O=C(NCc1cocn1)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000677960740 566772519 /nfs/dbraw/zinc/77/25/19/566772519.db2.gz POZRREQMYZSXPD-UHFFFAOYSA-N 1 2 383.279 3.051 10 0 GGAELO CC[N@H+]1CC[C@H](NC(=O)NC[C@@H](C)SC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000542044877 566772371 /nfs/dbraw/zinc/77/23/71/566772371.db2.gz MGNOVSKUFACGHR-OOVXXXAESA-N 1 2 375.460 3.290 10 0 GGAELO C[C@@H](CC(F)(F)F)C(=O)N1CC[NH+]([C@H](CO)c2ccc(Cl)cc2)CC1 ZINC000655032551 566773054 /nfs/dbraw/zinc/77/30/54/566773054.db2.gz AGNDAXSGDQWORN-SWLSCSKDSA-N 1 2 378.822 3.106 10 0 GGAELO C[C@@H](CC(F)(F)F)C(=O)N1CC[NH+]([C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC000655032552 566773375 /nfs/dbraw/zinc/77/33/75/566773375.db2.gz AGNDAXSGDQWORN-WFASDCNBSA-N 1 2 378.822 3.106 10 0 GGAELO CC[C@@H]1C[N@H+](Cc2cn3cc(Br)ccc3n2)CCN1CC(F)F ZINC000677989783 566773836 /nfs/dbraw/zinc/77/38/36/566773836.db2.gz JLRLZKVAYXEXSH-CQSZACIVSA-N 1 2 387.272 3.258 10 0 GGAELO CC[C@@H]1C[N@@H+](Cc2cn3cc(Br)ccc3n2)CCN1CC(F)F ZINC000677989783 566773842 /nfs/dbraw/zinc/77/38/42/566773842.db2.gz JLRLZKVAYXEXSH-CQSZACIVSA-N 1 2 387.272 3.258 10 0 GGAELO Clc1cc(Br)ccc1C[NH2+]Cc1cn(C[C@H]2CCOC2)nn1 ZINC000631053466 566773959 /nfs/dbraw/zinc/77/39/59/566773959.db2.gz VFWANLIXKBBIIW-LLVKDONJSA-N 1 2 385.693 3.020 10 0 GGAELO C[C@H](c1ccccc1Br)[N@H+](C)CC(=O)N1CCOC[C@@H]1C1CC1 ZINC000677981326 566774193 /nfs/dbraw/zinc/77/41/93/566774193.db2.gz CEAVNELWKUVQCD-CXAGYDPISA-N 1 2 381.314 3.079 10 0 GGAELO C[C@H](c1ccccc1Br)[N@@H+](C)CC(=O)N1CCOC[C@@H]1C1CC1 ZINC000677981326 566774200 /nfs/dbraw/zinc/77/42/00/566774200.db2.gz CEAVNELWKUVQCD-CXAGYDPISA-N 1 2 381.314 3.079 10 0 GGAELO O=C(C[N@H+]1CCSC[C@@H]1c1ccc(Cl)cc1)N1CCOC[C@@H]1C1CC1 ZINC000677985692 566774338 /nfs/dbraw/zinc/77/43/38/566774338.db2.gz WKNCPIWSSHKJPO-QZTJIDSGSA-N 1 2 380.941 3.067 10 0 GGAELO O=C(C[N@@H+]1CCSC[C@@H]1c1ccc(Cl)cc1)N1CCOC[C@@H]1C1CC1 ZINC000677985692 566774340 /nfs/dbraw/zinc/77/43/40/566774340.db2.gz WKNCPIWSSHKJPO-QZTJIDSGSA-N 1 2 380.941 3.067 10 0 GGAELO Brc1ccc2c(cc[nH+]c2NCc2ccnc(N3CCOCC3)c2)c1 ZINC000581415974 566775286 /nfs/dbraw/zinc/77/52/86/566775286.db2.gz LDOKIOVYCHJETH-UHFFFAOYSA-N 1 2 399.292 3.263 10 0 GGAELO C[C@@H]([NH2+]Cc1c(F)cccc1Br)c1cccc(S(N)(=O)=O)c1 ZINC000542134113 566776295 /nfs/dbraw/zinc/77/62/95/566776295.db2.gz MWCNBRQNFCYOEE-SNVBAGLBSA-N 1 2 387.274 3.086 10 0 GGAELO C[C@@H]([NH2+]Cc1cn(C[C@@H]2CCOC2)nn1)c1ccc(F)c(Br)c1 ZINC000631069760 566776321 /nfs/dbraw/zinc/77/63/21/566776321.db2.gz XESYKGMFJALKAJ-NEPJUHHUSA-N 1 2 383.265 3.067 10 0 GGAELO C[C@@H](C[NH+]1CCN(S(=O)(=O)c2ccccc2Cl)CC1)c1ccccc1 ZINC000516679632 566777091 /nfs/dbraw/zinc/77/70/91/566777091.db2.gz XIQXWHIALAOCQF-INIZCTEOSA-N 1 2 378.925 3.450 10 0 GGAELO CCOC(=O)C1([S@@](C)=O)CC[NH+]([C@@H](C)c2cccc(Cl)c2F)CC1 ZINC000451212495 566777931 /nfs/dbraw/zinc/77/79/31/566777931.db2.gz ZKWFEUBIYZGXPD-FNODVLLQSA-N 1 2 375.893 3.316 10 0 GGAELO CCOC(=O)C1([S@@](C)=O)CC[NH+](CCc2cc(Cl)ccc2Cl)CC1 ZINC000451211794 566779172 /nfs/dbraw/zinc/77/91/72/566779172.db2.gz XCUYOXBWBGGRIY-XMMPIXPASA-N 1 2 392.348 3.312 10 0 GGAELO Cc1c(Br)ccc(C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)c1F ZINC000469326588 566781288 /nfs/dbraw/zinc/78/12/88/566781288.db2.gz DODVKUPULPVFDL-AWEZNQCLSA-N 1 2 399.304 3.224 10 0 GGAELO CS(=O)(=O)c1ccc(C[NH2+]Cc2ncc(Br)cc2Cl)s1 ZINC000631120120 566781691 /nfs/dbraw/zinc/78/16/91/566781691.db2.gz RZHNPDQKNSDZSS-UHFFFAOYSA-N 1 2 395.731 3.252 10 0 GGAELO COc1ccc(Br)cc1C1(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC000655156713 566782642 /nfs/dbraw/zinc/78/26/42/566782642.db2.gz IHYHSUUITLIZLW-NSHDSACASA-N 1 2 378.270 3.165 10 0 GGAELO COc1ccc(Br)cc1C1(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC000655156713 566782647 /nfs/dbraw/zinc/78/26/47/566782647.db2.gz IHYHSUUITLIZLW-NSHDSACASA-N 1 2 378.270 3.165 10 0 GGAELO O=C(NCC1(c2cccc(Br)c2)CC1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000489337819 566783055 /nfs/dbraw/zinc/78/30/55/566783055.db2.gz XOABZXLCYFTSHP-UHFFFAOYSA-N 1 2 397.276 3.491 10 0 GGAELO CC[C@H]1[C@@H](CO)CC[N@@H+]1Cc1noc(Cc2ccc(Br)cc2)n1 ZINC000451255183 566783261 /nfs/dbraw/zinc/78/32/61/566783261.db2.gz MSBGKZLBFFIOHG-HIFRSBDPSA-N 1 2 380.286 3.016 10 0 GGAELO CC[C@H]1[C@@H](CO)CC[N@H+]1Cc1noc(Cc2ccc(Br)cc2)n1 ZINC000451255183 566783264 /nfs/dbraw/zinc/78/32/64/566783264.db2.gz MSBGKZLBFFIOHG-HIFRSBDPSA-N 1 2 380.286 3.016 10 0 GGAELO Cn1nc(C[NH+]2CCN(c3ccc(Br)cn3)CC2)c2ccccc21 ZINC000678137481 566783435 /nfs/dbraw/zinc/78/34/35/566783435.db2.gz NWPLKKORCRPEDJ-UHFFFAOYSA-N 1 2 386.297 3.053 10 0 GGAELO C[C@H]([NH2+]Cc1cn(C[C@H]2CCOC2)nn1)c1ccc(Br)cc1F ZINC000631136200 566783811 /nfs/dbraw/zinc/78/38/11/566783811.db2.gz SPWQLJIIBQDMHQ-NWDGAFQWSA-N 1 2 383.265 3.067 10 0 GGAELO CC[N@H+](CC(=O)N(C)C)Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000678139548 566785064 /nfs/dbraw/zinc/78/50/64/566785064.db2.gz VGBZHYUBYUYNKW-UHFFFAOYSA-N 1 2 382.327 3.483 10 0 GGAELO CC[N@@H+](CC(=O)N(C)C)Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000678139548 566785074 /nfs/dbraw/zinc/78/50/74/566785074.db2.gz VGBZHYUBYUYNKW-UHFFFAOYSA-N 1 2 382.327 3.483 10 0 GGAELO Clc1cc(Br)cc(C[NH2+]Cc2cn(C[C@H]3CCOC3)nn2)c1 ZINC000631163149 566786629 /nfs/dbraw/zinc/78/66/29/566786629.db2.gz KEWCSZWNVFXIRS-LLVKDONJSA-N 1 2 385.693 3.020 10 0 GGAELO CCC(=O)N[C@@H]1CCC[N@H+](CC[S@@](=O)c2cc(Cl)ccc2Cl)C1 ZINC000609800133 566786784 /nfs/dbraw/zinc/78/67/84/566786784.db2.gz LZGGXGWHWFFCRX-JCQPUDPBSA-N 1 2 377.337 3.092 10 0 GGAELO CCC(=O)N[C@@H]1CCC[N@@H+](CC[S@@](=O)c2cc(Cl)ccc2Cl)C1 ZINC000609800133 566786793 /nfs/dbraw/zinc/78/67/93/566786793.db2.gz LZGGXGWHWFFCRX-JCQPUDPBSA-N 1 2 377.337 3.092 10 0 GGAELO C[C@@H]([NH2+][C@@H](C)c1ncc(Br)cn1)C(=O)N1CCCc2ccccc21 ZINC000562386906 566786846 /nfs/dbraw/zinc/78/68/46/566786846.db2.gz VCBPAHUYPIFDJM-QWHCGFSZSA-N 1 2 389.297 3.258 10 0 GGAELO Cc1cc(Br)cn2cc(CCNC(=O)N[C@@H]3C[C@H]3C3CC3)[nH+]c12 ZINC000562392157 566786903 /nfs/dbraw/zinc/78/69/03/566786903.db2.gz PHUKKIBLZDQFJJ-LSDHHAIUSA-N 1 2 377.286 3.045 10 0 GGAELO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1CC[S@@](=O)c1cc(Cl)ccc1Cl ZINC000609799624 566786891 /nfs/dbraw/zinc/78/68/91/566786891.db2.gz XMNCXEYDAJSINS-OYLFLEFRSA-N 1 2 391.364 3.434 10 0 GGAELO CCN(CC)C(=O)[C@H]1CCC[N@H+]1CC[S@@](=O)c1cc(Cl)ccc1Cl ZINC000609799624 566786898 /nfs/dbraw/zinc/78/68/98/566786898.db2.gz XMNCXEYDAJSINS-OYLFLEFRSA-N 1 2 391.364 3.434 10 0 GGAELO Clc1c(Br)cccc1C[NH2+]Cc1cn(C[C@H]2CCOC2)nn1 ZINC000631160556 566787866 /nfs/dbraw/zinc/78/78/66/566787866.db2.gz HEESTBZIOLPHKS-LLVKDONJSA-N 1 2 385.693 3.020 10 0 GGAELO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1ccc2scc(Br)c2c1 ZINC000451283791 566787991 /nfs/dbraw/zinc/78/79/91/566787991.db2.gz IVKGUGJORJZFKW-GFCCVEGCSA-N 1 2 397.338 3.457 10 0 GGAELO COCC[N@H+](CC(=O)N[C@H](C)c1ccccc1Cl)Cc1scnc1C ZINC000489422916 566789121 /nfs/dbraw/zinc/78/91/21/566789121.db2.gz GDFUDJWPZJJRBC-CYBMUJFWSA-N 1 2 381.929 3.431 10 0 GGAELO COCC[N@@H+](CC(=O)N[C@H](C)c1ccccc1Cl)Cc1scnc1C ZINC000489422916 566789125 /nfs/dbraw/zinc/78/91/25/566789125.db2.gz GDFUDJWPZJJRBC-CYBMUJFWSA-N 1 2 381.929 3.431 10 0 GGAELO Clc1ccc(C[NH2+]Cc2nnc(C3CCOCC3)[nH]2)c(Br)c1 ZINC000631213091 566790802 /nfs/dbraw/zinc/79/08/02/566790802.db2.gz IRZARUJYJLCGGL-UHFFFAOYSA-N 1 2 385.693 3.404 10 0 GGAELO CN(C)c1cc(Cl)cc(Cl)c1C[NH2+]Cc1nnc(C2CCOCC2)[nH]1 ZINC000631213474 566791318 /nfs/dbraw/zinc/79/13/18/566791318.db2.gz OCLZHXJNLSPSSP-UHFFFAOYSA-N 1 2 384.311 3.361 10 0 GGAELO Fc1cccn2cc(C[NH+]3CCC(n4cc(Br)cn4)CC3)nc12 ZINC000678259897 566791436 /nfs/dbraw/zinc/79/14/36/566791436.db2.gz KDAINUSQSHXOEY-UHFFFAOYSA-N 1 2 378.249 3.270 10 0 GGAELO O=C(NCC[C@@H]1CCOC1)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000542299949 566791805 /nfs/dbraw/zinc/79/18/05/566791805.db2.gz AUAZLPCUALVUDH-RHSMWYFYSA-N 1 2 381.314 3.129 10 0 GGAELO CCCCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc(Br)s1 ZINC000542317433 566793720 /nfs/dbraw/zinc/79/37/20/566793720.db2.gz XQONRKFGOFFPET-LLVKDONJSA-N 1 2 388.331 3.273 10 0 GGAELO CCCCNC(=O)NC(=O)C[N@H+]1CCC[C@@H]1c1ccc(Br)s1 ZINC000542317433 566793724 /nfs/dbraw/zinc/79/37/24/566793724.db2.gz XQONRKFGOFFPET-LLVKDONJSA-N 1 2 388.331 3.273 10 0 GGAELO Cc1nn(C)c(C[N@@H+]2CCC[C@H](CC(=O)OC(C)(C)C)C2)c1Br ZINC000562508840 566795799 /nfs/dbraw/zinc/79/57/99/566795799.db2.gz DJMLLCFFLUPUSC-CYBMUJFWSA-N 1 2 386.334 3.435 10 0 GGAELO Cc1nn(C)c(C[N@H+]2CCC[C@H](CC(=O)OC(C)(C)C)C2)c1Br ZINC000562508840 566795805 /nfs/dbraw/zinc/79/58/05/566795805.db2.gz DJMLLCFFLUPUSC-CYBMUJFWSA-N 1 2 386.334 3.435 10 0 GGAELO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1n[nH]c2ccc(Br)cc21 ZINC000655349302 566796546 /nfs/dbraw/zinc/79/65/46/566796546.db2.gz FRABAWRHCVWOKJ-HUUCEWRRSA-N 1 2 377.286 3.072 10 0 GGAELO O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1n[nH]c2ccc(Br)cc21 ZINC000655349302 566796553 /nfs/dbraw/zinc/79/65/53/566796553.db2.gz FRABAWRHCVWOKJ-HUUCEWRRSA-N 1 2 377.286 3.072 10 0 GGAELO C[C@@H]1C[C@@H](NC(=O)Cc2noc3ccc(Br)cc23)c2[nH+]ccn21 ZINC000581662391 566796494 /nfs/dbraw/zinc/79/64/94/566796494.db2.gz HXODDDPHTHOUFJ-NOZJJQNGSA-N 1 2 375.226 3.152 10 0 GGAELO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1n[nH]c2ccc(Br)cc21 ZINC000655349301 566797108 /nfs/dbraw/zinc/79/71/08/566797108.db2.gz FRABAWRHCVWOKJ-GJZGRUSLSA-N 1 2 377.286 3.072 10 0 GGAELO O=C(N[C@H]1CCC[N@H+]2CCCC[C@@H]12)c1n[nH]c2ccc(Br)cc21 ZINC000655349301 566797111 /nfs/dbraw/zinc/79/71/11/566797111.db2.gz FRABAWRHCVWOKJ-GJZGRUSLSA-N 1 2 377.286 3.072 10 0 GGAELO CCc1ccc(C[NH+]2CCN(C(=O)c3ccc([S@@](C)=O)cc3)CC2)s1 ZINC000609995095 566799113 /nfs/dbraw/zinc/79/91/13/566799113.db2.gz BPIPCIAZGKJKLB-RUZDIDTESA-N 1 2 376.547 3.006 10 0 GGAELO CCc1ccc(C[NH+]2CCN(C(=O)c3ccc([S@](C)=O)cc3)CC2)s1 ZINC000609995096 566799164 /nfs/dbraw/zinc/79/91/64/566799164.db2.gz BPIPCIAZGKJKLB-VWLOTQADSA-N 1 2 376.547 3.006 10 0 GGAELO Cc1cc(N[C@H]2C[C@@H](C)n3ncnc32)nc(-c2ccc(Br)cc2)[nH+]1 ZINC000631350886 566799544 /nfs/dbraw/zinc/79/95/44/566799544.db2.gz GZOCUNGHOFZACV-RISCZKNCSA-N 1 2 385.269 3.346 10 0 GGAELO Cc1cc(N[C@@H]2C[C@@H](C)n3ncnc32)nc(-c2ccc(Br)cc2)[nH+]1 ZINC000631350884 566800407 /nfs/dbraw/zinc/80/04/07/566800407.db2.gz GZOCUNGHOFZACV-BXUZGUMPSA-N 1 2 385.269 3.346 10 0 GGAELO NC(=O)[C@H](c1ccc(Br)cc1F)[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000451347716 566800622 /nfs/dbraw/zinc/80/06/22/566800622.db2.gz UQTGIIAZEBGMSK-DZUCGIPZSA-N 1 2 399.304 3.130 10 0 GGAELO NC(=O)[C@H](c1ccc(Br)cc1F)[N@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000451347716 566800625 /nfs/dbraw/zinc/80/06/25/566800625.db2.gz UQTGIIAZEBGMSK-DZUCGIPZSA-N 1 2 399.304 3.130 10 0 GGAELO COCc1ncc2c(n1)CCN(c1cc[nH+]c3c(Br)cccc13)C2 ZINC000631414512 566801108 /nfs/dbraw/zinc/80/11/08/566801108.db2.gz QZLGHOOESOAVMS-UHFFFAOYSA-N 1 2 385.265 3.496 10 0 GGAELO C[N@@H+]1CC[C@H](NS(=O)(=O)C[C@@H]2CCCC2(F)F)[C@H]1c1ccc(Cl)cc1 ZINC000451356686 566801874 /nfs/dbraw/zinc/80/18/74/566801874.db2.gz RVJCPDKLYKWOTK-CWRNSKLLSA-N 1 2 392.899 3.440 10 0 GGAELO C[N@H+]1CC[C@H](NS(=O)(=O)C[C@@H]2CCCC2(F)F)[C@H]1c1ccc(Cl)cc1 ZINC000451356686 566801880 /nfs/dbraw/zinc/80/18/80/566801880.db2.gz RVJCPDKLYKWOTK-CWRNSKLLSA-N 1 2 392.899 3.440 10 0 GGAELO C[N@@H+]1CC[C@H](NS(=O)(=O)CC2CC(F)(F)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000451352562 566802072 /nfs/dbraw/zinc/80/20/72/566802072.db2.gz HVQRTTJNDOZEOG-GJZGRUSLSA-N 1 2 378.872 3.050 10 0 GGAELO C[N@H+]1CC[C@H](NS(=O)(=O)CC2CC(F)(F)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000451352562 566802076 /nfs/dbraw/zinc/80/20/76/566802076.db2.gz HVQRTTJNDOZEOG-GJZGRUSLSA-N 1 2 378.872 3.050 10 0 GGAELO CCN(CC)C(=O)[C@H]1CCCN1Cc1c[nH+]c2c(C)cc(Br)cn12 ZINC000542464761 566804177 /nfs/dbraw/zinc/80/41/77/566804177.db2.gz IWIQMTBBBUKMBX-MRXNPFEDSA-N 1 2 393.329 3.238 10 0 GGAELO Brc1ccc2c(cc[nH+]c2NCc2nnc(C3CCOCC3)[nH]2)c1 ZINC000631459174 566804441 /nfs/dbraw/zinc/80/44/41/566804441.db2.gz ADXOQXCOPWWLJX-UHFFFAOYSA-N 1 2 388.269 3.043 10 0 GGAELO CCn1cc[nH+]c1CNC(=O)N[C@@H]1CSc2ccc(Br)cc21 ZINC000517074473 566804577 /nfs/dbraw/zinc/80/45/77/566804577.db2.gz QTHYOPZNCWFHEN-GFCCVEGCSA-N 1 2 381.299 3.312 10 0 GGAELO Cc1c([C@@H](C)[NH2+]Cc2cc(C)ncn2)nnn1-c1cccc(Br)c1 ZINC000678604246 566807023 /nfs/dbraw/zinc/80/70/23/566807023.db2.gz BPHJZYACJXCOOR-GFCCVEGCSA-N 1 2 387.285 3.287 10 0 GGAELO CC[NH+]1CCN(c2ccccc2NS(=O)(=O)c2cc(C)c(C)s2)CC1 ZINC000678614303 566807837 /nfs/dbraw/zinc/80/78/37/566807837.db2.gz UTIGENFXRAYDLU-UHFFFAOYSA-N 1 2 379.551 3.308 10 0 GGAELO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)Nc1cc(Cl)cc(Cl)c1)C2 ZINC000631526937 566808552 /nfs/dbraw/zinc/80/85/52/566808552.db2.gz AAHVLBPDPNWGMS-CYBMUJFWSA-N 1 2 383.279 3.170 10 0 GGAELO CC1(C)C[NH+](CC(=O)Nc2cccc(Oc3ncc(Br)cn3)c2)C1 ZINC000581833656 566808846 /nfs/dbraw/zinc/80/88/46/566808846.db2.gz SFRKNXPEHQJBBY-UHFFFAOYSA-N 1 2 391.269 3.312 10 0 GGAELO O=C([C@H]1CCCOCC1)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000469733839 566809210 /nfs/dbraw/zinc/80/92/10/566809210.db2.gz AFTNSDZWHCVKNU-INIZCTEOSA-N 1 2 385.335 3.497 10 0 GGAELO C[C@@H]1CCN(C(=O)NCCc2ccccc2Br)C[C@@H]1n1cc[nH+]c1 ZINC000469765356 566812949 /nfs/dbraw/zinc/81/29/49/566812949.db2.gz TVMRDDJLWIDDGO-PBHICJAKSA-N 1 2 391.313 3.481 10 0 GGAELO COC(=O)c1c2c(sc1NC(=O)C[NH2+][C@H](C)c1nc(C)cs1)CCC2 ZINC000542580672 566813622 /nfs/dbraw/zinc/81/36/22/566813622.db2.gz JNBIQHAVJOBNGM-SNVBAGLBSA-N 1 2 379.507 3.078 10 0 GGAELO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)c2cc[nH]c(=O)c2Br)CC1 ZINC000469810807 566815633 /nfs/dbraw/zinc/81/56/33/566815633.db2.gz YKZMVEZTPMVHRH-NSHDSACASA-N 1 2 396.310 3.130 10 0 GGAELO COc1ccc([C@@H](C)[NH2+]Cc2c(Br)cnn2C)cc1NC(C)=O ZINC000631685556 566816266 /nfs/dbraw/zinc/81/62/66/566816266.db2.gz WHZJNJAXWDCBMV-SNVBAGLBSA-N 1 2 381.274 3.000 10 0 GGAELO O=C(N[C@H]1COc2c1ccc(Cl)c2Cl)c1cc(-n2cc[nH+]c2)ccn1 ZINC000489911217 566817949 /nfs/dbraw/zinc/81/79/49/566817949.db2.gz YVUQPWUZNBHICY-AWEZNQCLSA-N 1 2 375.215 3.438 10 0 GGAELO Brc1ccc(N2CC[NH+](Cc3nc4c(s3)CCC4)CC2)nc1 ZINC000678813839 566819426 /nfs/dbraw/zinc/81/94/26/566819426.db2.gz MMZWVLNPEXUWMZ-UHFFFAOYSA-N 1 2 379.327 3.112 10 0 GGAELO Cc1ncsc1CCS(=O)(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000581984676 566819868 /nfs/dbraw/zinc/81/98/68/566819868.db2.gz DYCSPUQTIFJMAF-NVXWUHKLSA-N 1 2 399.969 3.012 10 0 GGAELO Cc1ncsc1CCS(=O)(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000581984676 566819871 /nfs/dbraw/zinc/81/98/71/566819871.db2.gz DYCSPUQTIFJMAF-NVXWUHKLSA-N 1 2 399.969 3.012 10 0 GGAELO Cc1nc(CN2CC[NH+](CC/C=C/c3ccc(Br)cc3)CC2)n[nH]1 ZINC000678891371 566823864 /nfs/dbraw/zinc/82/38/64/566823864.db2.gz PAQRJSUDYYZTMO-DUXPYHPUSA-N 1 2 390.329 3.097 10 0 GGAELO Cn1ccc([C@H]([NH2+]CCn2cc(Br)cn2)c2ccc(Cl)cc2)n1 ZINC000582053855 566826400 /nfs/dbraw/zinc/82/64/00/566826400.db2.gz PMRYTKBRSDDDMB-MRXNPFEDSA-N 1 2 394.704 3.412 10 0 GGAELO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1c(Cl)cc(F)cc1Br ZINC000451495570 566826652 /nfs/dbraw/zinc/82/66/52/566826652.db2.gz JKKZSKTZRNVXBN-JTQLQIEISA-N 1 2 393.684 3.034 10 0 GGAELO COCC[N@H+](Cc1ncc(-c2cccc(Br)c2)o1)[C@@H]1CCOC1 ZINC000490050637 566827821 /nfs/dbraw/zinc/82/78/21/566827821.db2.gz QUVRKRZHJQRUOP-OAHLLOKOSA-N 1 2 381.270 3.341 10 0 GGAELO COCC[N@@H+](Cc1ncc(-c2cccc(Br)c2)o1)[C@@H]1CCOC1 ZINC000490050637 566827825 /nfs/dbraw/zinc/82/78/25/566827825.db2.gz QUVRKRZHJQRUOP-OAHLLOKOSA-N 1 2 381.270 3.341 10 0 GGAELO COCC[N@H+](CC(=O)Nc1c(Cl)cc(Cl)cc1Cl)[C@H]1CCOC1 ZINC000490039731 566827934 /nfs/dbraw/zinc/82/79/34/566827934.db2.gz JQHUUEXXIXVIRY-NSHDSACASA-N 1 2 381.687 3.323 10 0 GGAELO COCC[N@@H+](CC(=O)Nc1c(Cl)cc(Cl)cc1Cl)[C@H]1CCOC1 ZINC000490039731 566827936 /nfs/dbraw/zinc/82/79/36/566827936.db2.gz JQHUUEXXIXVIRY-NSHDSACASA-N 1 2 381.687 3.323 10 0 GGAELO C[C@@H]([NH2+]CC(=O)Nc1nc2c(s1)CCC2)c1nc(C(F)(F)F)cs1 ZINC000490068835 566828720 /nfs/dbraw/zinc/82/87/20/566828720.db2.gz CUWFBOWDFFYADA-SSDOTTSWSA-N 1 2 376.429 3.396 10 0 GGAELO COCC[N@H+](Cc1ncc(-c2ccc(Br)cc2)o1)[C@H]1CCOC1 ZINC000490093871 566830354 /nfs/dbraw/zinc/83/03/54/566830354.db2.gz JYZJELDCFCMQDD-HNNXBMFYSA-N 1 2 381.270 3.341 10 0 GGAELO COCC[N@@H+](Cc1ncc(-c2ccc(Br)cc2)o1)[C@H]1CCOC1 ZINC000490093871 566830360 /nfs/dbraw/zinc/83/03/60/566830360.db2.gz JYZJELDCFCMQDD-HNNXBMFYSA-N 1 2 381.270 3.341 10 0 GGAELO COCC[N@H+](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[C@@H]1CCOC1 ZINC000490101089 566830591 /nfs/dbraw/zinc/83/05/91/566830591.db2.gz QWAWYZBDHQAUKZ-GFCCVEGCSA-N 1 2 380.794 3.035 10 0 GGAELO COCC[N@@H+](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[C@@H]1CCOC1 ZINC000490101089 566830599 /nfs/dbraw/zinc/83/05/99/566830599.db2.gz QWAWYZBDHQAUKZ-GFCCVEGCSA-N 1 2 380.794 3.035 10 0 GGAELO Cc1nc(N(C)C)nc(NCc2cc(Cl)cc(Cl)c2OC(F)F)[nH+]1 ZINC000490110120 566832428 /nfs/dbraw/zinc/83/24/28/566832428.db2.gz ZPSPVXHGCOMAQB-UHFFFAOYSA-N 1 2 378.210 3.188 10 0 GGAELO Cc1nc(NCc2cc(Cl)cc(Cl)c2OC(F)F)nc(N(C)C)[nH+]1 ZINC000490110120 566832435 /nfs/dbraw/zinc/83/24/35/566832435.db2.gz ZPSPVXHGCOMAQB-UHFFFAOYSA-N 1 2 378.210 3.188 10 0 GGAELO CC(C)c1nnc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)[nH]1 ZINC000428373508 566834128 /nfs/dbraw/zinc/83/41/28/566834128.db2.gz NQFQUWQYYFZYIU-UHFFFAOYSA-N 1 2 378.318 3.008 10 0 GGAELO O=C(COc1ccc(Cl)cc1Cl)N1CC[NH+](CCC(F)(F)F)CC1 ZINC000469992364 566835180 /nfs/dbraw/zinc/83/51/80/566835180.db2.gz OWVOBKBTIJEHBV-UHFFFAOYSA-N 1 2 385.213 3.469 10 0 GGAELO COc1cc(C[N@@H+]2C[C@H](O)C3(CC3)C2)cc(Br)c1OC(F)F ZINC000428381761 566835729 /nfs/dbraw/zinc/83/57/29/566835729.db2.gz PRYTZHHDJFAOQT-LBPRGKRZSA-N 1 2 378.213 3.016 10 0 GGAELO COc1cc(C[N@H+]2C[C@H](O)C3(CC3)C2)cc(Br)c1OC(F)F ZINC000428381761 566835735 /nfs/dbraw/zinc/83/57/35/566835735.db2.gz PRYTZHHDJFAOQT-LBPRGKRZSA-N 1 2 378.213 3.016 10 0 GGAELO CCc1nc(C[NH+]2CCC(CNS(=O)(=O)C3(C(C)C)CC3)CC2)cs1 ZINC000631943153 566835875 /nfs/dbraw/zinc/83/58/75/566835875.db2.gz OOIUUGYCTALCHE-UHFFFAOYSA-N 1 2 385.599 3.026 10 0 GGAELO C[C@@H]1CN(S(=O)(=O)c2onc(C3CC3)c2Cl)c2cc(F)ccc2C[NH2+]1 ZINC000631943371 566835940 /nfs/dbraw/zinc/83/59/40/566835940.db2.gz UYRRKACWMXMSKM-SECBINFHSA-N 1 2 385.848 3.032 10 0 GGAELO COc1cc(C[N@@H+]2C[C@@H](O)C3(CC3)C2)cc(Br)c1OC(F)F ZINC000428381759 566836276 /nfs/dbraw/zinc/83/62/76/566836276.db2.gz PRYTZHHDJFAOQT-GFCCVEGCSA-N 1 2 378.213 3.016 10 0 GGAELO COc1cc(C[N@H+]2C[C@@H](O)C3(CC3)C2)cc(Br)c1OC(F)F ZINC000428381759 566836279 /nfs/dbraw/zinc/83/62/79/566836279.db2.gz PRYTZHHDJFAOQT-GFCCVEGCSA-N 1 2 378.213 3.016 10 0 GGAELO C[C@H](O)CN1CC[NH+](Cc2cnc(-c3ccc(Br)cc3)s2)CC1 ZINC000428409409 566841983 /nfs/dbraw/zinc/84/19/83/566841983.db2.gz BVTXWYKVKJSSEX-ZDUSSCGKSA-N 1 2 396.354 3.071 10 0 GGAELO COCCOc1ccc(Br)cc1NC(=O)CCCn1cc[nH+]c1 ZINC000679210772 566842342 /nfs/dbraw/zinc/84/23/42/566842342.db2.gz MDLGJDAMOCVUGM-UHFFFAOYSA-N 1 2 382.258 3.090 10 0 GGAELO Brc1ccc(-n2cc(C[NH2+]Cc3cc4n(n3)CCCC4)cn2)cc1 ZINC000655767351 566846047 /nfs/dbraw/zinc/84/60/47/566846047.db2.gz SNPYVUARVYLFDE-UHFFFAOYSA-N 1 2 386.297 3.457 10 0 GGAELO Cc1cnc([C@H](C)[N@H+](C)CC(=O)Nc2ccc(Br)cc2C)cn1 ZINC000428463759 566846549 /nfs/dbraw/zinc/84/65/49/566846549.db2.gz UBUKKNSLAXHQIB-ZDUSSCGKSA-N 1 2 377.286 3.487 10 0 GGAELO Cc1cnc([C@H](C)[N@@H+](C)CC(=O)Nc2ccc(Br)cc2C)cn1 ZINC000428463759 566846554 /nfs/dbraw/zinc/84/65/54/566846554.db2.gz 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375.675 3.337 10 0 GGAELO Cc1cc(Br)c2c(c1)CCN(C(=O)N[C@H]1CCc3[nH+]c[nH]c3C1)C2 ZINC000633251486 566946422 /nfs/dbraw/zinc/94/64/22/566946422.db2.gz UMQJCKDSIPTZRL-ZDUSSCGKSA-N 1 2 389.297 3.106 10 0 GGAELO Cc1cc(Br)c2c(c1)CCN(C(=O)N[C@H]1CCc3[nH]c[nH+]c3C1)C2 ZINC000633251486 566946430 /nfs/dbraw/zinc/94/64/30/566946430.db2.gz UMQJCKDSIPTZRL-ZDUSSCGKSA-N 1 2 389.297 3.106 10 0 GGAELO CN(Cc1ccc(Br)cc1F)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000633250569 566947602 /nfs/dbraw/zinc/94/76/02/566947602.db2.gz MONFFWDLASDYFJ-GFCCVEGCSA-N 1 2 381.249 3.010 10 0 GGAELO CN(Cc1ccc(Br)cc1F)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000633250569 566947606 /nfs/dbraw/zinc/94/76/06/566947606.db2.gz MONFFWDLASDYFJ-GFCCVEGCSA-N 1 2 381.249 3.010 10 0 GGAELO O=C(c1oc2ccccc2c1Br)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000633250533 566947696 /nfs/dbraw/zinc/94/76/96/566947696.db2.gz JEZUSWRLHQOQKT-ZDUSSCGKSA-N 1 2 393.281 3.132 10 0 GGAELO Cc1cc(Br)cc2c(C(=O)NCC(C)(C)[NH+]3CCOCC3)coc21 ZINC000471357719 566948812 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O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)c1cc2c(ccc(F)c2Br)[nH]1 ZINC000584298755 567031752 /nfs/dbraw/zinc/03/17/52/567031752.db2.gz JGTKIKZFCVJQAI-QMMMGPOBSA-N 1 2 377.217 3.080 10 0 GGAELO O=C(NCCOCC(F)F)[C@@H](c1c(F)cccc1Cl)[NH+]1CCCCC1 ZINC000472507664 567032832 /nfs/dbraw/zinc/03/28/32/567032832.db2.gz UZNDSTFKUKFIGS-MRXNPFEDSA-N 1 2 378.822 3.404 10 0 GGAELO Cc1ccc2cccnc2c1S(=O)(=O)Nc1cc[nH+]c(C)c1Br ZINC000682158948 567034073 /nfs/dbraw/zinc/03/40/73/567034073.db2.gz SKQHNPRLYFJBFE-UHFFFAOYSA-N 1 2 392.278 3.232 10 0 GGAELO Cc1nc([C@@H]2CCCC[N@@H+]2C[C@@H](O)COc2ccc(Br)cc2)no1 ZINC000613382336 567034782 /nfs/dbraw/zinc/03/47/82/567034782.db2.gz BQVLDVDBMJUFLK-ZBFHGGJFSA-N 1 2 396.285 3.107 10 0 GGAELO Cc1nc([C@@H]2CCCC[N@H+]2C[C@@H](O)COc2ccc(Br)cc2)no1 ZINC000613382336 567034788 /nfs/dbraw/zinc/03/47/88/567034788.db2.gz BQVLDVDBMJUFLK-ZBFHGGJFSA-N 1 2 396.285 3.107 10 0 GGAELO Cc1nc([C@H]2CCCC[N@@H+]2C[C@H](O)COc2ccc(Br)cc2)no1 ZINC000613382333 567035165 /nfs/dbraw/zinc/03/51/65/567035165.db2.gz BQVLDVDBMJUFLK-GOEBONIOSA-N 1 2 396.285 3.107 10 0 GGAELO Cc1nc([C@H]2CCCC[N@H+]2C[C@H](O)COc2ccc(Br)cc2)no1 ZINC000613382333 567035169 /nfs/dbraw/zinc/03/51/69/567035169.db2.gz BQVLDVDBMJUFLK-GOEBONIOSA-N 1 2 396.285 3.107 10 0 GGAELO Cn1ncc(Br)c1C[NH+]1CCC(OCCc2ccccc2)CC1 ZINC000494980712 567037285 /nfs/dbraw/zinc/03/72/85/567037285.db2.gz ZYHHUWHMXBUUBB-UHFFFAOYSA-N 1 2 378.314 3.406 10 0 GGAELO Cc1c2cc(Br)cc(C)c2oc1C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000495022461 567040658 /nfs/dbraw/zinc/04/06/58/567040658.db2.gz YPBWFTNRSOYFGH-LBPRGKRZSA-N 1 2 395.297 3.263 10 0 GGAELO Cc1cc(Br)cn2cc(CCNC(=O)[C@@H](C)C3CCOCC3)[nH+]c12 ZINC000545354859 567042125 /nfs/dbraw/zinc/04/21/25/567042125.db2.gz QIGCOROTOIGBDZ-ZDUSSCGKSA-N 1 2 394.313 3.127 10 0 GGAELO Cc1cc(Br)cn2cc(CNC(=O)C[C@@H](C)[C@@H]3CCCO3)[nH+]c12 ZINC000613504230 567042411 /nfs/dbraw/zinc/04/24/11/567042411.db2.gz MNQZLVDRAKMWSO-ABAIWWIYSA-N 1 2 380.286 3.227 10 0 GGAELO C[C@H]1CC(c2cccc(Br)c2)=NN(CCCn2cc[nH+]c2)C1=O ZINC000634633859 567042686 /nfs/dbraw/zinc/04/26/86/567042686.db2.gz IASCTRVGSYRXQM-ZDUSSCGKSA-N 1 2 375.270 3.308 10 0 GGAELO O=C1C[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Cl)Cc2ccccc2N1 ZINC000565169381 567044164 /nfs/dbraw/zinc/04/41/64/567044164.db2.gz DSTFBFOBPDFYOW-CQSZACIVSA-N 1 2 381.259 3.187 10 0 GGAELO O=C1C[N@@H+](C[C@@H](O)COc2ccc(Cl)cc2Cl)Cc2ccccc2N1 ZINC000565169381 567044173 /nfs/dbraw/zinc/04/41/73/567044173.db2.gz DSTFBFOBPDFYOW-CQSZACIVSA-N 1 2 381.259 3.187 10 0 GGAELO COc1cc(OC)c(OC)cc1C[NH2+]Cc1c(F)cncc1Br ZINC000657291742 567045253 /nfs/dbraw/zinc/04/52/53/567045253.db2.gz CBBQKXLJVCCABZ-UHFFFAOYSA-N 1 2 385.233 3.299 10 0 GGAELO CCC1(CC)CN(Cc2cn3cc(Br)ccc3[nH+]2)CC[S@@]1=O ZINC000613584536 567046435 /nfs/dbraw/zinc/04/64/35/567046435.db2.gz ISDPHBVGBCPOCJ-QFIPXVFZSA-N 1 2 384.343 3.220 10 0 GGAELO CCOc1ccc(NC(=O)C[NH2+]Cc2c(F)cncc2Br)cc1 ZINC000657328904 567047124 /nfs/dbraw/zinc/04/71/24/567047124.db2.gz GPPZLUTVPALFRX-UHFFFAOYSA-N 1 2 382.233 3.110 10 0 GGAELO COc1cc([C@@H](C)[NH2+]Cc2c(F)cncc2Br)ccc1OCCO ZINC000657325918 567047134 /nfs/dbraw/zinc/04/71/34/567047134.db2.gz MTSBTEAULYBRNS-LLVKDONJSA-N 1 2 399.260 3.214 10 0 GGAELO O=C(NC1CC1)c1cccc(C[NH2+]Cc2c(F)cncc2Br)c1 ZINC000657333223 567048967 /nfs/dbraw/zinc/04/89/67/567048967.db2.gz AXGQHKBYRKDRKT-UHFFFAOYSA-N 1 2 378.245 3.165 10 0 GGAELO O=C(NCc1cc2cccnc2cc1Br)[C@H]1CCc2[nH+]ccn2C1 ZINC000682514934 567053277 /nfs/dbraw/zinc/05/32/77/567053277.db2.gz ILRWNBGYZRMJEN-ZDUSSCGKSA-N 1 2 385.265 3.073 10 0 GGAELO C[C@@H]([NH2+][C@H](C)c1ncc(Br)cn1)C(=O)Nc1c(F)cccc1F ZINC000431088226 567053499 /nfs/dbraw/zinc/05/34/99/567053499.db2.gz DGDHZHDKVNTUDD-RKDXNWHRSA-N 1 2 385.212 3.195 10 0 GGAELO C[N@@H+]1CCO[C@H]2CN(C(=O)c3csc(-c4ccc(Cl)c(Cl)c4)n3)C[C@H]21 ZINC000472876744 567053592 /nfs/dbraw/zinc/05/35/92/567053592.db2.gz JGOUGNLRKNZAPE-CABCVRRESA-N 1 2 398.315 3.272 10 0 GGAELO C[N@H+]1CCO[C@H]2CN(C(=O)c3csc(-c4ccc(Cl)c(Cl)c4)n3)C[C@H]21 ZINC000472876744 567053595 /nfs/dbraw/zinc/05/35/95/567053595.db2.gz JGOUGNLRKNZAPE-CABCVRRESA-N 1 2 398.315 3.272 10 0 GGAELO Cc1ccc(C[NH2+]Cc2c(F)cncc2Br)c(N2CCOCC2)c1 ZINC000657388768 567053699 /nfs/dbraw/zinc/05/36/99/567053699.db2.gz FPARULPCUVECAA-UHFFFAOYSA-N 1 2 394.288 3.418 10 0 GGAELO CC(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ncc(Br)cn2)c1 ZINC000431095139 567053674 /nfs/dbraw/zinc/05/36/74/567053674.db2.gz DNWVKLMCDDGHHP-MNOVXSKESA-N 1 2 391.269 3.120 10 0 GGAELO CCN(C(=O)[C@@H](C)[NH2+][C@@H](C)c1ncc(Br)cn1)c1ccccc1 ZINC000431098822 567053829 /nfs/dbraw/zinc/05/38/29/567053829.db2.gz DMRRCRHHZWGNAI-QWHCGFSZSA-N 1 2 377.286 3.331 10 0 GGAELO C[C@H]([NH2+][C@@H](C)c1ncc(Br)cn1)C(=O)Nc1c(F)cccc1F ZINC000431088225 567054003 /nfs/dbraw/zinc/05/40/03/567054003.db2.gz DGDHZHDKVNTUDD-IUCAKERBSA-N 1 2 385.212 3.195 10 0 GGAELO CC(=O)c1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ncc(Br)cn2)cc1 ZINC000431101078 567054094 /nfs/dbraw/zinc/05/40/94/567054094.db2.gz XIXQNEFAGPCTFE-MNOVXSKESA-N 1 2 391.269 3.120 10 0 GGAELO Cc1sccc1CC(=O)N1CC[NH+]([C@H](CO)c2ccc(Cl)cc2)CC1 ZINC000682517142 567055012 /nfs/dbraw/zinc/05/50/12/567055012.db2.gz QFFSISCCWCNTMO-GOSISDBHSA-N 1 2 378.925 3.130 10 0 GGAELO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ncc(Br)cn2)c(F)c1 ZINC000431108774 567055059 /nfs/dbraw/zinc/05/50/59/567055059.db2.gz VOUQGZPFVXZRNT-QWRGUYRKSA-N 1 2 381.249 3.364 10 0 GGAELO Cc1ccccc1CN(C)C(=O)[C@H](C)[NH2+][C@H](C)c1ncc(Br)cn1 ZINC000431109622 567055523 /nfs/dbraw/zinc/05/55/23/567055523.db2.gz RNDYSLUEKGUSQD-KGLIPLIRSA-N 1 2 391.313 3.245 10 0 GGAELO CCS(=O)(=O)c1ccc(C[NH2+]Cc2c(F)cncc2Br)cc1 ZINC000657428950 567055629 /nfs/dbraw/zinc/05/56/29/567055629.db2.gz ONKRKURNQVWNOP-UHFFFAOYSA-N 1 2 387.274 3.067 10 0 GGAELO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ncc(Br)cn2)cc1F ZINC000431105439 567055571 /nfs/dbraw/zinc/05/55/71/567055571.db2.gz YXIFCXSCHJIGLN-MNOVXSKESA-N 1 2 381.249 3.364 10 0 GGAELO CN1CCCC[C@@H]([N@H+](C)Cc2nc(-c3ccc(Br)s3)no2)C1=O ZINC000634740117 567056490 /nfs/dbraw/zinc/05/64/90/567056490.db2.gz OZPPMERENQXRRX-SNVBAGLBSA-N 1 2 399.314 3.003 10 0 GGAELO CN1CCCC[C@@H]([N@@H+](C)Cc2nc(-c3ccc(Br)s3)no2)C1=O ZINC000634740117 567056498 /nfs/dbraw/zinc/05/64/98/567056498.db2.gz OZPPMERENQXRRX-SNVBAGLBSA-N 1 2 399.314 3.003 10 0 GGAELO CCc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ncc(Br)cn2)cc1 ZINC000431122126 567056489 /nfs/dbraw/zinc/05/64/89/567056489.db2.gz ZFEIXIBNSUGZCV-NEPJUHHUSA-N 1 2 377.286 3.479 10 0 GGAELO C[C@H]([NH2+][C@@H]1CCN(c2ccc(Cl)cc2)C1=O)c1ncc(Br)cn1 ZINC000431120998 567056523 /nfs/dbraw/zinc/05/65/23/567056523.db2.gz CVWINOIWQSBVAO-IINYFYTJSA-N 1 2 395.688 3.349 10 0 GGAELO Cc1cc(Br)ccc1NC(=O)C[N@@H+]1CCO[C@H](C(F)F)CC1 ZINC000634754983 567057914 /nfs/dbraw/zinc/05/79/14/567057914.db2.gz OUQQUFYHHSSPEJ-ZDUSSCGKSA-N 1 2 377.229 3.052 10 0 GGAELO Cc1cc(Br)ccc1NC(=O)C[N@H+]1CCO[C@H](C(F)F)CC1 ZINC000634754983 567057921 /nfs/dbraw/zinc/05/79/21/567057921.db2.gz OUQQUFYHHSSPEJ-ZDUSSCGKSA-N 1 2 377.229 3.052 10 0 GGAELO C[C@@H]([NH2+][C@@H]1CCCN(c2ccccc2)C1=O)c1ncc(Br)cn1 ZINC000431139606 567058735 /nfs/dbraw/zinc/05/87/35/567058735.db2.gz OMNWYKLUZCLTNI-IUODEOHRSA-N 1 2 375.270 3.085 10 0 GGAELO CN(C)C(=O)Nc1ccc(C[NH2+]Cc2c(F)cncc2Br)cc1 ZINC000657456481 567058927 /nfs/dbraw/zinc/05/89/27/567058927.db2.gz YTVMZKWOEXLPLP-UHFFFAOYSA-N 1 2 381.249 3.367 10 0 GGAELO Fc1cncc(Br)c1C[NH2+]Cc1ccncc1OC[C@H]1CCOC1 ZINC000657466946 567059045 /nfs/dbraw/zinc/05/90/45/567059045.db2.gz SUXBFEHMBTWRMB-LBPRGKRZSA-N 1 2 396.260 3.083 10 0 GGAELO CC[N@@H+]1CC[C@H](NC(=O)Cn2cc(Cl)cn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000584673524 567059374 /nfs/dbraw/zinc/05/93/74/567059374.db2.gz OCCCFILFBGZXKQ-RDJZCZTQSA-N 1 2 385.270 3.281 10 0 GGAELO CC[N@H+]1CC[C@H](NC(=O)Cn2cc(Cl)cn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000584673524 567059378 /nfs/dbraw/zinc/05/93/78/567059378.db2.gz OCCCFILFBGZXKQ-RDJZCZTQSA-N 1 2 385.270 3.281 10 0 GGAELO CC[N@@H+]1CC[C@@H](NCc2nsc(N(C)C)n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000584667597 567059864 /nfs/dbraw/zinc/05/98/64/567059864.db2.gz NAEVBVQQQQETGU-GDBMZVCRSA-N 1 2 383.924 3.322 10 0 GGAELO CC[N@H+]1CC[C@@H](NCc2nsc(N(C)C)n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000584667597 567059870 /nfs/dbraw/zinc/05/98/70/567059870.db2.gz NAEVBVQQQQETGU-GDBMZVCRSA-N 1 2 383.924 3.322 10 0 GGAELO CCN1CC[C@@H]([NH2+]Cc2nsc(N(C)C)n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000584667597 567059878 /nfs/dbraw/zinc/05/98/78/567059878.db2.gz NAEVBVQQQQETGU-GDBMZVCRSA-N 1 2 383.924 3.322 10 0 GGAELO C[C@H]([NH2+]Cc1ccc(O[C@H]2CCOC2)cc1)c1ncc(Br)cn1 ZINC000657473454 567060906 /nfs/dbraw/zinc/06/09/06/567060906.db2.gz JROYFHBKMJSNIY-LRDDRELGSA-N 1 2 378.270 3.258 10 0 GGAELO COc1cc(Br)ccc1[C@@H](C)NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000613864979 567068114 /nfs/dbraw/zinc/06/81/14/567068114.db2.gz BQRNMMXUBJJNEU-MNOVXSKESA-N 1 2 378.270 3.163 10 0 GGAELO COc1cc(Br)ccc1[C@@H](C)NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000613864979 567068117 /nfs/dbraw/zinc/06/81/17/567068117.db2.gz BQRNMMXUBJJNEU-MNOVXSKESA-N 1 2 378.270 3.163 10 0 GGAELO Cc1cc(NC(=O)C[N@@H+]2CCC[C@H](c3ccncn3)C2)ccc1Br ZINC000613888194 567069681 /nfs/dbraw/zinc/06/96/81/567069681.db2.gz SBYYDVQXZLLBOQ-AWEZNQCLSA-N 1 2 389.297 3.366 10 0 GGAELO Cc1cc(NC(=O)C[N@H+]2CCC[C@H](c3ccncn3)C2)ccc1Br ZINC000613888194 567069686 /nfs/dbraw/zinc/06/96/86/567069686.db2.gz SBYYDVQXZLLBOQ-AWEZNQCLSA-N 1 2 389.297 3.366 10 0 GGAELO CCOc1cc(C[NH2+][C@H]2C[C@@H](C)n3ncnc32)cc(Br)c1OC ZINC000657566964 567071388 /nfs/dbraw/zinc/07/13/88/567071388.db2.gz GIZCSPVBDWQAJQ-MFKMUULPSA-N 1 2 381.274 3.244 10 0 GGAELO C[C@@H]1CN(C(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)CCC1=O ZINC000473266327 567072069 /nfs/dbraw/zinc/07/20/69/567072069.db2.gz UZSDCBFUPDBEGA-CXAGYDPISA-N 1 2 379.298 3.024 10 0 GGAELO CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]Cc1nn(C)cc1Br)CCC2 ZINC000453303766 567072458 /nfs/dbraw/zinc/07/24/58/567072458.db2.gz DBHCIUHCUQMQGC-GFCCVEGCSA-N 1 2 396.285 3.428 10 0 GGAELO Cc1cc(Br)cc2c(=O)c(-c3noc([C@H]4CC[N@@H+](C)C4)n3)c[nH]c12 ZINC000545762599 567074534 /nfs/dbraw/zinc/07/45/34/567074534.db2.gz BLXRMHPWESQUFR-JTQLQIEISA-N 1 2 389.253 3.068 10 0 GGAELO Cc1cc(Br)cc2c(=O)c(-c3noc([C@H]4CC[N@H+](C)C4)n3)c[nH]c12 ZINC000545762599 567074539 /nfs/dbraw/zinc/07/45/39/567074539.db2.gz BLXRMHPWESQUFR-JTQLQIEISA-N 1 2 389.253 3.068 10 0 GGAELO Cc1ccc(C(=O)N2CC[NH+](Cc3ccncc3)CC2)c(C)c1Br ZINC000682851537 567075824 /nfs/dbraw/zinc/07/58/24/567075824.db2.gz JJLQMDGBWWJTBT-UHFFFAOYSA-N 1 2 388.309 3.419 10 0 GGAELO Cc1ccc(OCc2nc(C[NH2+][C@@H]3CC[C@H](C)S(=O)(=O)C3)cs2)cc1 ZINC000657636061 567078472 /nfs/dbraw/zinc/07/84/72/567078472.db2.gz CORYINIBEVWQRS-LSDHHAIUSA-N 1 2 380.535 3.086 10 0 GGAELO CCOC(=O)C[N@H+](CC(=O)N(C)Cc1ccccc1Br)C(C)(C)C ZINC000431378770 567078644 /nfs/dbraw/zinc/07/86/44/567078644.db2.gz NJAJFMZVZDFOOF-UHFFFAOYSA-N 1 2 399.329 3.071 10 0 GGAELO CCOC(=O)C[N@@H+](CC(=O)N(C)Cc1ccccc1Br)C(C)(C)C ZINC000431378770 567078650 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ZINC000473725535 567097824 /nfs/dbraw/zinc/09/78/24/567097824.db2.gz QVMLEKPLUIVSEV-UHFFFAOYSA-N 1 2 395.297 3.344 10 0 GGAELO Cc1cc(Br)cc2c(C(=O)NCC[N@H+]3CCOC(C)(C)C3)coc21 ZINC000473725535 567097834 /nfs/dbraw/zinc/09/78/34/567097834.db2.gz QVMLEKPLUIVSEV-UHFFFAOYSA-N 1 2 395.297 3.344 10 0 GGAELO Cc1cc(Br)cn2cc(CCNC(=O)NCCOC(C)(C)C)[nH+]c12 ZINC000546053808 567098954 /nfs/dbraw/zinc/09/89/54/567098954.db2.gz VUGRCUPHQXZVAV-UHFFFAOYSA-N 1 2 397.317 3.062 10 0 GGAELO Cc1cc(Br)cn2cc(CCNC(=O)N(C)Cc3ccc[nH]3)[nH+]c12 ZINC000546059811 567100706 /nfs/dbraw/zinc/10/07/06/567100706.db2.gz STQJMJRIKFJZIH-UHFFFAOYSA-N 1 2 390.285 3.117 10 0 GGAELO Cc1ccsc1-c1nc(=NC(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)s[nH]1 ZINC000473825571 567104417 /nfs/dbraw/zinc/10/44/17/567104417.db2.gz CIPDWVVEAZATKT-OLZOCXBDSA-N 1 2 379.555 3.381 10 0 GGAELO Cc1ccsc1-c1nc(=NC(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)s[nH]1 ZINC000473825571 567104422 /nfs/dbraw/zinc/10/44/22/567104422.db2.gz CIPDWVVEAZATKT-OLZOCXBDSA-N 1 2 379.555 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567107095 /nfs/dbraw/zinc/10/70/95/567107095.db2.gz UYGQIEGDZNUBLB-UHFFFAOYSA-N 1 2 379.555 3.335 10 0 GGAELO O=C(NCc1ccc(Br)c(F)c1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000546155378 567110514 /nfs/dbraw/zinc/11/05/14/567110514.db2.gz WMQDIERDLAUGST-UHFFFAOYSA-N 1 2 375.201 3.099 10 0 GGAELO COc1cc[nH+]cc1CNC(=O)N[C@H](C)Cc1ccc(Br)cc1 ZINC000431844857 567111896 /nfs/dbraw/zinc/11/18/96/567111896.db2.gz NBWLBXKNJAKZHI-GFCCVEGCSA-N 1 2 378.270 3.283 10 0 GGAELO O=C(NCc1nc(C[NH+]2CCCCC2)no1)c1c(Cl)cc(F)cc1Cl ZINC000614466349 567114464 /nfs/dbraw/zinc/11/44/64/567114464.db2.gz NXXACDKFQVGRAZ-UHFFFAOYSA-N 1 2 387.242 3.431 10 0 GGAELO Cc1cc(Br)c(S(=O)(=O)N(C)c2ccc[nH+]c2N(C)C)s1 ZINC000431914619 567116571 /nfs/dbraw/zinc/11/65/71/567116571.db2.gz TWUHUXDZZMEIPU-UHFFFAOYSA-N 1 2 390.328 3.105 10 0 GGAELO COc1cc[nH+]cc1CNC(=O)N[C@@H](C)c1ccc(Br)cc1OC ZINC000431912747 567117178 /nfs/dbraw/zinc/11/71/78/567117178.db2.gz JVWVDWXUFOERGM-NSHDSACASA-N 1 2 394.269 3.422 10 0 GGAELO 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ZINC000636073478 567122448 /nfs/dbraw/zinc/12/24/48/567122448.db2.gz QEWDBOWPSXADBD-VXGBXAGGSA-N 1 2 376.254 3.090 10 0 GGAELO C[C@H]([NH2+][C@@H]1Cc2ccccc2N(C)C1=O)c1ncc(Br)cc1F ZINC000658110137 567122754 /nfs/dbraw/zinc/12/27/54/567122754.db2.gz YIJLUUNDLAHZBH-IINYFYTJSA-N 1 2 378.245 3.222 10 0 GGAELO O=C(NC[C@@H](O)C(F)(F)F)[C@@H](c1c(F)cccc1Cl)[NH+]1CCCCC1 ZINC000683420902 567124164 /nfs/dbraw/zinc/12/41/64/567124164.db2.gz SPOTUXVKNVJLIY-TZMCWYRMSA-N 1 2 382.785 3.046 10 0 GGAELO COCc1n[nH]c(C[NH2+][C@@H]2c3cc(Br)ccc3SC[C@H]2C)n1 ZINC000658157735 567125640 /nfs/dbraw/zinc/12/56/40/567125640.db2.gz CWDJFHBGSKZFAA-PSLIRLAXSA-N 1 2 383.315 3.286 10 0 GGAELO O=C(NC[C@@H]1CCCO1)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000497863051 567129502 /nfs/dbraw/zinc/12/95/02/567129502.db2.gz QAPPYWZJRASBJP-HNNXBMFYSA-N 1 2 386.323 3.042 10 0 GGAELO CO[C@H](C(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1)C1CCC1 ZINC000614691858 567131304 /nfs/dbraw/zinc/13/13/04/567131304.db2.gz QYSSJQNHVGAJHS-INIZCTEOSA-N 1 2 396.285 3.083 10 0 GGAELO O=C(N[C@@H]1CSCc2ccc(Br)cc21)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000636181385 567131649 /nfs/dbraw/zinc/13/16/49/567131649.db2.gz FGJWQWUNKYKBIO-UMVBOHGHSA-N 1 2 378.295 3.380 10 0 GGAELO O=C(N[C@@H]1CSCc2ccc(Br)cc21)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000636181385 567131657 /nfs/dbraw/zinc/13/16/57/567131657.db2.gz FGJWQWUNKYKBIO-UMVBOHGHSA-N 1 2 378.295 3.380 10 0 GGAELO Cc1nc(C(=O)N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)sc1C ZINC000683531327 567131871 /nfs/dbraw/zinc/13/18/71/567131871.db2.gz SJDZUOWCAIAYRS-UHFFFAOYSA-N 1 2 379.913 3.250 10 0 GGAELO CO[C@H]1CC[C@H](C(=O)N(CCn2cc[nH+]c2)Cc2ccc(Br)o2)C1 ZINC000614691905 567133572 /nfs/dbraw/zinc/13/35/72/567133572.db2.gz RXLRRJPMZZPDLG-KBPBESRZSA-N 1 2 396.285 3.083 10 0 GGAELO C[C@H](NC(=O)C[N@@H+]1CCO[C@@]2(CCSC2)C1)c1ccc(Cl)cc1Cl ZINC000566176233 567134245 /nfs/dbraw/zinc/13/42/45/567134245.db2.gz IYRQXPPSYFFTHF-SJCJKPOMSA-N 1 2 389.348 3.379 10 0 GGAELO C[C@H](NC(=O)C[N@H+]1CCO[C@@]2(CCSC2)C1)c1ccc(Cl)cc1Cl ZINC000566176233 567134252 /nfs/dbraw/zinc/13/42/52/567134252.db2.gz IYRQXPPSYFFTHF-SJCJKPOMSA-N 1 2 389.348 3.379 10 0 GGAELO Cn1c[nH+]cc1Cc1noc(-c2cn(-c3ccc(Br)cc3)cn2)n1 ZINC000546543213 567135409 /nfs/dbraw/zinc/13/54/09/567135409.db2.gz IBCJAYZFOAKHFQ-UHFFFAOYSA-N 1 2 385.225 3.009 10 0 GGAELO Cc1c[nH+]ccc1CCNc1ncnc2cccc(I)c21 ZINC000546579101 567139814 /nfs/dbraw/zinc/13/98/14/567139814.db2.gz HDTGDSFLLHLJCC-UHFFFAOYSA-N 1 2 390.228 3.014 10 0 GGAELO COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]Cc1[nH]ncc1Br)CC3 ZINC000546613116 567142639 /nfs/dbraw/zinc/14/26/39/567142639.db2.gz CHEALSKQRDNNKZ-SNVBAGLBSA-N 1 2 375.270 3.309 10 0 GGAELO O=C(CCc1[nH]cc[nH+]1)N1CCC[C@H]1c1ccccc1I ZINC000498005495 567142598 /nfs/dbraw/zinc/14/25/98/567142598.db2.gz CBOVDMVQKBDSQB-AWEZNQCLSA-N 1 2 395.244 3.311 10 0 GGAELO COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]Cc1[nH]ncc1Br)CC3 ZINC000546613115 567143057 /nfs/dbraw/zinc/14/30/57/567143057.db2.gz CHEALSKQRDNNKZ-JTQLQIEISA-N 1 2 375.270 3.309 10 0 GGAELO CC(C)(CNC(=O)c1cc(F)c(Br)cc1Cl)[NH+]1CCOCC1 ZINC000474197989 567147051 /nfs/dbraw/zinc/14/70/51/567147051.db2.gz MLXMELJCYMBKDE-UHFFFAOYSA-N 1 2 393.684 3.082 10 0 GGAELO NC(=O)c1csc(=NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)[nH]1 ZINC000432340795 567151211 /nfs/dbraw/zinc/15/12/11/567151211.db2.gz PJSBLPXGHXEZEY-UHFFFAOYSA-N 1 2 385.320 3.047 10 0 GGAELO NC(=O)c1csc(NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)n1 ZINC000432340795 567151214 /nfs/dbraw/zinc/15/12/14/567151214.db2.gz PJSBLPXGHXEZEY-UHFFFAOYSA-N 1 2 385.320 3.047 10 0 GGAELO COC(=O)C[N@H+](Cc1ccc(OC(F)(F)F)c(Br)c1)C1CC1 ZINC000474269760 567153694 /nfs/dbraw/zinc/15/36/94/567153694.db2.gz AWAOAUPJCIYBJN-UHFFFAOYSA-N 1 2 382.176 3.485 10 0 GGAELO COC(=O)C[N@@H+](Cc1ccc(OC(F)(F)F)c(Br)c1)C1CC1 ZINC000474269760 567153699 /nfs/dbraw/zinc/15/36/99/567153699.db2.gz AWAOAUPJCIYBJN-UHFFFAOYSA-N 1 2 382.176 3.485 10 0 GGAELO Cc1cc(Br)c(CNC(=O)C(=O)Nc2ccc(C)[nH+]c2C)s1 ZINC000658647273 567155042 /nfs/dbraw/zinc/15/50/42/567155042.db2.gz 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ZINC000498253933 567162559 /nfs/dbraw/zinc/16/25/59/567162559.db2.gz ROUSEPLUEJEYTE-AWEZNQCLSA-N 1 2 388.339 3.288 10 0 GGAELO CC[C@H](COCC(F)(F)F)NC(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000454305336 567162875 /nfs/dbraw/zinc/16/28/75/567162875.db2.gz SNBCJOJZZAGCGJ-LLVKDONJSA-N 1 2 378.782 3.144 10 0 GGAELO CC[C@@H](COCC(F)(F)F)NC(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000454305337 567163120 /nfs/dbraw/zinc/16/31/20/567163120.db2.gz SNBCJOJZZAGCGJ-NSHDSACASA-N 1 2 378.782 3.144 10 0 GGAELO O=S(=O)(Nc1cncc(Cl)c1Cl)c1ccccc1Cn1cc[nH+]c1 ZINC000546852347 567164864 /nfs/dbraw/zinc/16/48/64/567164864.db2.gz DDWAWGJTRGDOHS-UHFFFAOYSA-N 1 2 383.260 3.434 10 0 GGAELO Cc1cc(Br)cn2cc(CCNC(=O)N3CCC34CCC4)[nH+]c12 ZINC000546861529 567166491 /nfs/dbraw/zinc/16/64/91/567166491.db2.gz YGXBWJIAXSOKNF-UHFFFAOYSA-N 1 2 377.286 3.286 10 0 GGAELO CCc1ccc(S(=O)(=O)N[C@H](c2[nH+]ccn2C)c2ccc(F)cc2)s1 ZINC000615169056 567167379 /nfs/dbraw/zinc/16/73/79/567167379.db2.gz HHBQMSGBAQMDAO-INIZCTEOSA-N 1 2 379.482 3.251 10 0 GGAELO O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)c1ncccc1Br ZINC000566568562 567168544 /nfs/dbraw/zinc/16/85/44/567168544.db2.gz ZLRNJUAWQDJYFT-JOCQHMNTSA-N 1 2 375.270 3.392 10 0 GGAELO CC(C)Cn1cc[nH+]c1CNC(=O)N[C@H](C)c1ccc(Br)cn1 ZINC000474446610 567173543 /nfs/dbraw/zinc/17/35/43/567173543.db2.gz CSXIFTOBEIMVIS-GFCCVEGCSA-N 1 2 380.290 3.257 10 0 GGAELO CCc1ccc(C[NH+]2CCN(C(=O)c3cc4c(s3)CCOC4)CC2)s1 ZINC000524116528 567183782 /nfs/dbraw/zinc/18/37/82/567183782.db2.gz HLCSZAWFLVYODP-UHFFFAOYSA-N 1 2 376.547 3.403 10 0 GGAELO CC[C@@H]1C[N@H+](Cc2cn3ccc(Br)cc3n2)CCN1CC(F)F ZINC000566742364 567185095 /nfs/dbraw/zinc/18/50/95/567185095.db2.gz MKLOUWWGAIHJIL-CQSZACIVSA-N 1 2 387.272 3.258 10 0 GGAELO CC[C@@H]1C[N@@H+](Cc2cn3ccc(Br)cc3n2)CCN1CC(F)F ZINC000566742364 567185105 /nfs/dbraw/zinc/18/51/05/567185105.db2.gz MKLOUWWGAIHJIL-CQSZACIVSA-N 1 2 387.272 3.258 10 0 GGAELO Cc1ccccc1C[NH+]1CCN(C(=O)c2ncsc2Br)CC1 ZINC000566730321 567185663 /nfs/dbraw/zinc/18/56/63/567185663.db2.gz 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/nfs/dbraw/zinc/20/66/71/567206671.db2.gz SLDJDBAYHQWJBQ-OAHLLOKOSA-N 1 2 391.313 3.245 10 0 GGAELO OCCNc1nc(N[C@H]2CCc3c2cccc3Br)[nH+]c2ccccc21 ZINC000590055039 567206792 /nfs/dbraw/zinc/20/67/92/567206792.db2.gz DCRUPGDGCLOFBF-KRWDZBQOSA-N 1 2 399.292 3.318 10 0 GGAELO O=C(COc1c(Cl)cccc1Cl)NCc1[nH+]ccn1CC(F)(F)F ZINC000590050121 567206806 /nfs/dbraw/zinc/20/68/06/567206806.db2.gz RXHBUWDMTDOQQT-UHFFFAOYSA-N 1 2 382.169 3.447 10 0 GGAELO CCCCOCCN(C(=O)Cn1cc[nH+]c1)c1cccc(Br)c1 ZINC000567007914 567209367 /nfs/dbraw/zinc/20/93/67/567209367.db2.gz WXKSYEFJILXHFE-UHFFFAOYSA-N 1 2 380.286 3.496 10 0 GGAELO COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H](C(=O)OC)c2ccc(Br)cc2)[C@H]1C ZINC000474920544 567209989 /nfs/dbraw/zinc/20/99/89/567209989.db2.gz CTJXTSXFSPJTEA-MOWSHJCCSA-N 1 2 398.297 3.231 10 0 GGAELO CC(C)c1nc(CCNC(=O)NCc2[nH+]ccn2CC(F)(F)F)cs1 ZINC000590167194 567211622 /nfs/dbraw/zinc/21/16/22/567211622.db2.gz ALWJEOYYWRPXPB-UHFFFAOYSA-N 1 2 375.420 3.067 10 0 GGAELO O=C(NCc1csc(Br)c1)NCc1[nH+]ccn1CC(F)(F)F ZINC000590159716 567212171 /nfs/dbraw/zinc/21/21/71/567212171.db2.gz RSKYFBRSRDJILU-UHFFFAOYSA-N 1 2 397.220 3.269 10 0 GGAELO O=C(NCc1cc(Br)cs1)NCc1[nH+]ccn1CC(F)(F)F ZINC000590159338 567212282 /nfs/dbraw/zinc/21/22/82/567212282.db2.gz MARPRHGMSAKXHE-UHFFFAOYSA-N 1 2 397.220 3.269 10 0 GGAELO Cc1cc(Cl)ccc1NC(=O)C[NH2+][C@H](C)c1ncc(Br)cn1 ZINC000432981106 567212363 /nfs/dbraw/zinc/21/23/63/567212363.db2.gz ABIVPSDDEGGSEK-SNVBAGLBSA-N 1 2 383.677 3.490 10 0 GGAELO C[C@@H]([NH2+]CC(=O)N[C@@H](C)c1ccccc1Cl)c1ncc(Br)cn1 ZINC000432987328 567212368 /nfs/dbraw/zinc/21/23/68/567212368.db2.gz DAOCFTOGCPXCBX-WDEREUQCSA-N 1 2 397.704 3.421 10 0 GGAELO CC(=O)c1ccccc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ncc(Br)cn1 ZINC000432986908 567212523 /nfs/dbraw/zinc/21/25/23/567212523.db2.gz SDYHSKSUMLYJHT-WDEREUQCSA-N 1 2 391.269 3.120 10 0 GGAELO C[C@H]([NH2+]CC(=O)Nc1ccc(F)c(Cl)c1)c1ncc(Br)cn1 ZINC000432983567 567212526 /nfs/dbraw/zinc/21/25/26/567212526.db2.gz 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ZINC000432991078 567214249 /nfs/dbraw/zinc/21/42/49/567214249.db2.gz IOJDAGJHJQCOMJ-KBPBESRZSA-N 1 2 391.313 3.384 10 0 GGAELO C[C@@H]([NH2+]CC(=O)N(C)[C@H](C)c1ccc(F)cc1)c1ncc(Br)cn1 ZINC000432989261 567214425 /nfs/dbraw/zinc/21/44/25/567214425.db2.gz PERYAZMSXMTEKU-VXGBXAGGSA-N 1 2 395.276 3.248 10 0 GGAELO Cc1cc(SCC(=O)N2CC[NH+](C3CC3)CC2)c(C)cc1Br ZINC000498945828 567214661 /nfs/dbraw/zinc/21/46/61/567214661.db2.gz BUWITILQIWRXJJ-UHFFFAOYSA-N 1 2 383.355 3.465 10 0 GGAELO C[C@@H]([NH2+]CC(=O)NCCCC1CCCCC1)c1ncc(Br)cn1 ZINC000433004148 567215412 /nfs/dbraw/zinc/21/54/12/567215412.db2.gz XHMAXSUARPTCED-CYBMUJFWSA-N 1 2 383.334 3.366 10 0 GGAELO COc1ccc(CCC(=O)N[C@@H]2C[C@H](C)n3cc[nH+]c32)c(Br)c1 ZINC000615962603 567215798 /nfs/dbraw/zinc/21/57/98/567215798.db2.gz FKYIWOYNZUCJOX-XHDPSFHLSA-N 1 2 378.270 3.409 10 0 GGAELO CCn1cc[nH+]c1[C@@H](C)NC(=O)CCc1ccc(OC)cc1Br ZINC000615962475 567216001 /nfs/dbraw/zinc/21/60/01/567216001.db2.gz ZWMXFOIWVSXGJW-GFCCVEGCSA-N 1 2 380.286 3.484 10 0 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Cc1ccc2c(c1Br)CN(C(=O)N[C@H]1CCc3[nH]c[nH+]c3C1)C2 ZINC000661205609 567357737 /nfs/dbraw/zinc/35/77/37/567357737.db2.gz ZSDNORSJTKWWTD-LBPRGKRZSA-N 1 2 375.270 3.063 10 0 GGAELO COc1ccc(Br)c(S(=O)(=O)Nc2ccc3[nH+]c(C)cn3c2)c1 ZINC000476918356 567357777 /nfs/dbraw/zinc/35/77/77/567357777.db2.gz FFRZHJDLXNFFMW-UHFFFAOYSA-N 1 2 396.266 3.215 10 0 GGAELO Brc1cccc(Cc2noc(C[NH2+][C@@H]3CCCn4nccc43)n2)c1 ZINC000640216947 567357915 /nfs/dbraw/zinc/35/79/15/567357915.db2.gz FWTWNSCOBSWFQT-CQSZACIVSA-N 1 2 388.269 3.244 10 0 GGAELO C[C@H](NC(=O)N[C@H]1C[C@H](c2ccc(Br)cc2)C1)c1[nH+]ccn1C ZINC000661215739 567358064 /nfs/dbraw/zinc/35/80/64/567358064.db2.gz FGEPSANGTIPAKN-WHOFXGATSA-N 1 2 377.286 3.489 10 0 GGAELO CC[C@@H](Cc1ccc(Br)cc1)NC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000661204071 567358097 /nfs/dbraw/zinc/35/80/97/567358097.db2.gz BUJKMVOSEMHJJZ-GJZGRUSLSA-N 1 2 391.313 3.350 10 0 GGAELO CC[C@@H](Cc1ccc(Br)cc1)NC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000661204071 567358107 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C[C@H](NC(=O)c1cc(Br)cc2ccccc21)[C@H](C)[NH+]1CCOCC1 ZINC000592761612 567360647 /nfs/dbraw/zinc/36/06/47/567360647.db2.gz ZZFLBBQCGADBBS-KBPBESRZSA-N 1 2 391.309 3.441 10 0 GGAELO C[C@@H](NC(=O)c1cc(Br)cc2ccccc21)[C@H](C)[NH+]1CCOCC1 ZINC000592761614 567360800 /nfs/dbraw/zinc/36/08/00/567360800.db2.gz ZZFLBBQCGADBBS-KGLIPLIRSA-N 1 2 391.309 3.441 10 0 GGAELO C[C@@H](NC(=O)c1cc(Br)cc2ccccc21)[C@@H](C)[NH+]1CCOCC1 ZINC000592761618 567360815 /nfs/dbraw/zinc/36/08/15/567360815.db2.gz ZZFLBBQCGADBBS-ZIAGYGMSSA-N 1 2 391.309 3.441 10 0 GGAELO CCn1cc[nH+]c1CNC(=O)N[C@@H]1CSCc2ccc(Br)cc21 ZINC000661263254 567361791 /nfs/dbraw/zinc/36/17/91/567361791.db2.gz ZWRISCXAILBEKS-CQSZACIVSA-N 1 2 395.326 3.453 10 0 GGAELO O=C1[C@@H]([NH2+]Cc2ncc(Br)cc2F)CCN1Cc1ccc(F)cc1 ZINC000527698867 567362782 /nfs/dbraw/zinc/36/27/82/567362782.db2.gz FXPXWWVXWSBFJW-HNNXBMFYSA-N 1 2 396.235 3.013 10 0 GGAELO OC[C@@]1([NH2+]Cc2ccc(Br)c(F)c2F)CCOc2ccccc21 ZINC000527702556 567364320 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C[C@@H]1CN(C(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)C[C@@H](C)C1O ZINC000618270663 567366897 /nfs/dbraw/zinc/36/68/97/567366897.db2.gz LJZOJEAKJYPWCU-CKEIUWERSA-N 1 2 395.341 3.061 10 0 GGAELO C[C@@H]1CN(C(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)C[C@H](C)[C@H]1O ZINC000618270665 567367128 /nfs/dbraw/zinc/36/71/28/567367128.db2.gz LJZOJEAKJYPWCU-IHETXDGRSA-N 1 2 395.341 3.061 10 0 GGAELO Cc1cc(Br)c(C[NH2+]C2(C(=O)N(C)C)CC2)cc1Br ZINC000527721709 567370268 /nfs/dbraw/zinc/37/02/68/567370268.db2.gz SPIXQGOSIUVMIQ-UHFFFAOYSA-N 1 2 390.119 3.230 10 0 GGAELO Cc1nc(S(=O)(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)sc1C ZINC000501193649 567372014 /nfs/dbraw/zinc/37/20/14/567372014.db2.gz XOPUVJZHQSNUER-KBPBESRZSA-N 1 2 379.551 3.043 10 0 GGAELO Cc1nc(S(=O)(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)sc1C ZINC000501193649 567372021 /nfs/dbraw/zinc/37/20/21/567372021.db2.gz XOPUVJZHQSNUER-KBPBESRZSA-N 1 2 379.551 3.043 10 0 GGAELO C[C@H]([NH2+]CC(=O)N(C)CCOc1ccc(Br)cc1)c1cscn1 ZINC000661422996 567372180 /nfs/dbraw/zinc/37/21/80/567372180.db2.gz JHIZMDSFRLITRO-LBPRGKRZSA-N 1 2 398.326 3.094 10 0 GGAELO Cc1ccc(I)c(C(=O)N[C@@H]2C[C@@H](C)n3cc[nH+]c32)c1 ZINC000456405035 567372200 /nfs/dbraw/zinc/37/22/00/567372200.db2.gz XHBMPPLJLRHBTH-ZWNOBZJWSA-N 1 2 381.217 3.232 10 0 GGAELO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1cc(F)c(Br)cc1Cl ZINC000477129982 567372525 /nfs/dbraw/zinc/37/25/25/567372525.db2.gz YVVGSYKQQFSGEZ-SNVBAGLBSA-N 1 2 393.684 3.034 10 0 GGAELO Cc1ccc(I)c(C(=O)N[C@H]2C[C@@H](C)n3cc[nH+]c32)c1 ZINC000456405033 567372800 /nfs/dbraw/zinc/37/28/00/567372800.db2.gz XHBMPPLJLRHBTH-MFKMUULPSA-N 1 2 381.217 3.232 10 0 GGAELO C[C@H]1COC2(CCC2)C[N@@H+]1CC(=O)N(C)Cc1ccccc1Br ZINC000661468717 567376066 /nfs/dbraw/zinc/37/60/66/567376066.db2.gz XVLOYYGACILULG-AWEZNQCLSA-N 1 2 381.314 3.051 10 0 GGAELO C[C@H]1COC2(CCC2)C[N@H+]1CC(=O)N(C)Cc1ccccc1Br ZINC000661468717 567376070 /nfs/dbraw/zinc/37/60/70/567376070.db2.gz XVLOYYGACILULG-AWEZNQCLSA-N 1 2 381.314 3.051 10 0 GGAELO COC(=O)[C@H](c1cccc(Br)c1)[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000501280144 567376293 /nfs/dbraw/zinc/37/62/93/567376293.db2.gz BPUFQJMQJXWPTI-UXLLHSPISA-N 1 2 382.298 3.412 10 0 GGAELO COC(=O)[C@H](c1cccc(Br)c1)[N@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000501280144 567376297 /nfs/dbraw/zinc/37/62/97/567376297.db2.gz BPUFQJMQJXWPTI-UXLLHSPISA-N 1 2 382.298 3.412 10 0 GGAELO C[C@@]12COC[C@]1(C)C[N@@H+](CC(=O)Nc1ccc(Br)cc1Cl)C2 ZINC000661493791 567377020 /nfs/dbraw/zinc/37/70/20/567377020.db2.gz GFYJFZTYJJVUKS-IYBDPMFKSA-N 1 2 387.705 3.399 10 0 GGAELO C[C@@]12COC[C@]1(C)C[N@H+](CC(=O)Nc1ccc(Br)cc1Cl)C2 ZINC000661493791 567377025 /nfs/dbraw/zinc/37/70/25/567377025.db2.gz GFYJFZTYJJVUKS-IYBDPMFKSA-N 1 2 387.705 3.399 10 0 GGAELO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)[N@@H+]2Cc2ccc(Br)c(C)c2)O1 ZINC000549173669 567377197 /nfs/dbraw/zinc/37/71/97/567377197.db2.gz YZNLXCXXNPQZGP-YYQUZTFQSA-N 1 2 382.298 3.441 10 0 GGAELO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)[N@H+]2Cc2ccc(Br)c(C)c2)O1 ZINC000549173669 567377201 /nfs/dbraw/zinc/37/72/01/567377201.db2.gz YZNLXCXXNPQZGP-YYQUZTFQSA-N 1 2 382.298 3.441 10 0 GGAELO O=C(N[C@H]1CSCc2ccc(Br)cc21)[C@@H]1CCc2c[nH+]cn2C1 ZINC000618360458 567377640 /nfs/dbraw/zinc/37/76/40/567377640.db2.gz SBOYMZWBWLNCEY-BZNIZROVSA-N 1 2 392.322 3.312 10 0 GGAELO COC(=O)[C@H](c1cccc(Br)c1)[N@@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000501280145 567377790 /nfs/dbraw/zinc/37/77/90/567377790.db2.gz BPUFQJMQJXWPTI-VYDXJSESSA-N 1 2 382.298 3.412 10 0 GGAELO COC(=O)[C@H](c1cccc(Br)c1)[N@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000501280145 567377796 /nfs/dbraw/zinc/37/77/96/567377796.db2.gz BPUFQJMQJXWPTI-VYDXJSESSA-N 1 2 382.298 3.412 10 0 GGAELO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1CSCc2ccc(Br)cc21 ZINC000618360509 567377939 /nfs/dbraw/zinc/37/79/39/567377939.db2.gz UCGUVKFTIHWRNW-KFWWJZLASA-N 1 2 392.322 3.390 10 0 GGAELO O=C(N[C@H]1CSCc2ccc(Br)cc21)[C@H]1CCc2[nH+]ccn2C1 ZINC000618359962 567378180 /nfs/dbraw/zinc/37/81/80/567378180.db2.gz IPRXAEBKKRVENU-NHYWBVRUSA-N 1 2 392.322 3.312 10 0 GGAELO COCC[N@H+](Cc1cc(Cl)ccc1I)[C@@H]1CCOC1 ZINC000593029755 567379706 /nfs/dbraw/zinc/37/97/06/567379706.db2.gz VZDASBFVIBQANJ-CYBMUJFWSA-N 1 2 395.668 3.182 10 0 GGAELO COCC[N@@H+](Cc1cc(Cl)ccc1I)[C@@H]1CCOC1 ZINC000593029755 567379710 /nfs/dbraw/zinc/37/97/10/567379710.db2.gz VZDASBFVIBQANJ-CYBMUJFWSA-N 1 2 395.668 3.182 10 0 GGAELO O=C(NCc1cc(Br)ccc1F)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000435623221 567379866 /nfs/dbraw/zinc/37/98/66/567379866.db2.gz GPESWEYRZZAOPW-UHFFFAOYSA-N 1 2 381.249 3.401 10 0 GGAELO O=C(NCc1cc(Br)ccc1F)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000435623221 567379869 /nfs/dbraw/zinc/37/98/69/567379869.db2.gz GPESWEYRZZAOPW-UHFFFAOYSA-N 1 2 381.249 3.401 10 0 GGAELO O=C(Cc1ccc(Br)cc1O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000477206591 567380754 /nfs/dbraw/zinc/38/07/54/567380754.db2.gz GMGGWBFNKMNXOU-UHFFFAOYSA-N 1 2 390.281 3.009 10 0 GGAELO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@](O)(C3CC3)C2)c(Br)c1 ZINC000661634422 567383646 /nfs/dbraw/zinc/38/36/46/567383646.db2.gz ZRQOBPCFAKLFOL-SCLBCKFNSA-N 1 2 381.314 3.321 10 0 GGAELO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@](O)(C3CC3)C2)c(Br)c1 ZINC000661634422 567383653 /nfs/dbraw/zinc/38/36/53/567383653.db2.gz ZRQOBPCFAKLFOL-SCLBCKFNSA-N 1 2 381.314 3.321 10 0 GGAELO Cc1cc(Br)cn2cc(CNC(=O)N[C@@H](C)c3cscn3)[nH+]c12 ZINC000661638049 567383731 /nfs/dbraw/zinc/38/37/31/567383731.db2.gz FKKUGBGBJALGSJ-JTQLQIEISA-N 1 2 394.298 3.422 10 0 GGAELO O=S(=O)(CC[N@H+]1CCC[C@@](O)(C2CC2)C1)c1cc(Cl)ccc1Cl ZINC000661639415 567384679 /nfs/dbraw/zinc/38/46/79/567384679.db2.gz VRPNANAWSSHLAK-INIZCTEOSA-N 1 2 378.321 3.004 10 0 GGAELO O=S(=O)(CC[N@@H+]1CCC[C@@](O)(C2CC2)C1)c1cc(Cl)ccc1Cl ZINC000661639415 567384681 /nfs/dbraw/zinc/38/46/81/567384681.db2.gz VRPNANAWSSHLAK-INIZCTEOSA-N 1 2 378.321 3.004 10 0 GGAELO O=[S@@]1C[C@@H]2C[C@H]1C[N@H+]2Cc1csc(-c2cccc(Br)c2)n1 ZINC000593094802 567384910 /nfs/dbraw/zinc/38/49/10/567384910.db2.gz LSEFETMNNADXRR-DGCWBMGLSA-N 1 2 383.336 3.278 10 0 GGAELO O=[S@@]1C[C@@H]2C[C@H]1C[N@@H+]2Cc1csc(-c2cccc(Br)c2)n1 ZINC000593094802 567384912 /nfs/dbraw/zinc/38/49/12/567384912.db2.gz LSEFETMNNADXRR-DGCWBMGLSA-N 1 2 383.336 3.278 10 0 GGAELO O=[S@]1C[C@@H]2C[C@H]1C[N@H+]2Cc1c(-c2ccc(Cl)cc2)nc2sccn12 ZINC000593103251 567385306 /nfs/dbraw/zinc/38/53/06/567385306.db2.gz XJKCMYHWXYJBFY-XACMVJRISA-N 1 2 377.922 3.421 10 0 GGAELO O=[S@]1C[C@@H]2C[C@H]1C[N@@H+]2Cc1c(-c2ccc(Cl)cc2)nc2sccn12 ZINC000593103251 567385311 /nfs/dbraw/zinc/38/53/11/567385311.db2.gz XJKCMYHWXYJBFY-XACMVJRISA-N 1 2 377.922 3.421 10 0 GGAELO O=[S@]1C[C@@H]2C[C@H]1C[N@H+]2Cc1csc(-c2ccc(Br)cc2)n1 ZINC000593101353 567385978 /nfs/dbraw/zinc/38/59/78/567385978.db2.gz KBPHTQMRYOXTHT-RXSFTSLZSA-N 1 2 383.336 3.278 10 0 GGAELO O=[S@]1C[C@@H]2C[C@H]1C[N@@H+]2Cc1csc(-c2ccc(Br)cc2)n1 ZINC000593101353 567385984 /nfs/dbraw/zinc/38/59/84/567385984.db2.gz KBPHTQMRYOXTHT-RXSFTSLZSA-N 1 2 383.336 3.278 10 0 GGAELO C[C@H](NC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)c1cc(F)c(Br)cc1F ZINC000527948258 567386170 /nfs/dbraw/zinc/38/61/70/567386170.db2.gz DICSBMHCYKZCIF-DTWKUNHWSA-N 1 2 399.239 3.368 10 0 GGAELO C[C@H](NC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)c1cc(F)c(Br)cc1F ZINC000527948258 567386175 /nfs/dbraw/zinc/38/61/75/567386175.db2.gz DICSBMHCYKZCIF-DTWKUNHWSA-N 1 2 399.239 3.368 10 0 GGAELO C[C@H](NC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1)c1cc(F)c(Br)cc1F ZINC000527948259 567386309 /nfs/dbraw/zinc/38/63/09/567386309.db2.gz DICSBMHCYKZCIF-IUCAKERBSA-N 1 2 399.239 3.368 10 0 GGAELO C[C@H](NC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1)c1cc(F)c(Br)cc1F ZINC000527948259 567386311 /nfs/dbraw/zinc/38/63/11/567386311.db2.gz DICSBMHCYKZCIF-IUCAKERBSA-N 1 2 399.239 3.368 10 0 GGAELO C[C@@H]1C[C@@H](NC(=O)NCc2ccc(Br)c(F)c2F)c2[nH+]ccn21 ZINC000527990274 567387656 /nfs/dbraw/zinc/38/76/56/567387656.db2.gz LYLYCHKONDPMNY-LDYMZIIASA-N 1 2 385.212 3.429 10 0 GGAELO C[C@H]1C[C@@H](NC(=O)NCc2ccc(Br)c(F)c2F)c2[nH+]ccn21 ZINC000527990268 567387712 /nfs/dbraw/zinc/38/77/12/567387712.db2.gz LYLYCHKONDPMNY-GZMMTYOYSA-N 1 2 385.212 3.429 10 0 GGAELO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000593118716 567388103 /nfs/dbraw/zinc/38/81/03/567388103.db2.gz RNJYDDQHRXWWGT-HNNXBMFYSA-N 1 2 393.217 3.450 10 0 GGAELO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000593118716 567388108 /nfs/dbraw/zinc/38/81/08/567388108.db2.gz RNJYDDQHRXWWGT-HNNXBMFYSA-N 1 2 393.217 3.450 10 0 GGAELO CNc1[nH+]cnc2c1cnn2Cc1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000435784970 567388282 /nfs/dbraw/zinc/38/82/82/567388282.db2.gz KZJANKXSSFILGV-UHFFFAOYSA-N 1 2 376.207 3.273 10 0 GGAELO C[C@@H]1C[C@H](NC(=O)NCc2cc(F)c(Br)cc2F)c2[nH+]ccn21 ZINC000527990670 567388775 /nfs/dbraw/zinc/38/87/75/567388775.db2.gz QCOJSXXJMWKRNK-OQPBUACISA-N 1 2 385.212 3.429 10 0 GGAELO C[C@H]1CCCN1C(=O)CC[N@@H+]1CCOC[C@H]1c1cccc(Br)c1 ZINC000661731134 567389322 /nfs/dbraw/zinc/38/93/22/567389322.db2.gz SLVKJZXWOQBMTP-YOEHRIQHSA-N 1 2 381.314 3.223 10 0 GGAELO C[C@H]1CCCN1C(=O)CC[N@H+]1CCOC[C@H]1c1cccc(Br)c1 ZINC000661731134 567389328 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C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000528789556 567457096 /nfs/dbraw/zinc/45/70/96/567457096.db2.gz UENXTNGAXUYSEB-HDXYXKGBSA-N 1 2 375.321 3.306 10 0 GGAELO C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000528789556 567457101 /nfs/dbraw/zinc/45/71/01/567457101.db2.gz UENXTNGAXUYSEB-HDXYXKGBSA-N 1 2 375.321 3.306 10 0 GGAELO Cc1ccc(NC(=O)c2cc(S(C)(=O)=O)cc(Br)c2C)c(C)[nH+]1 ZINC000502850934 567457564 /nfs/dbraw/zinc/45/75/64/567457564.db2.gz BKWGGSXDJSNYNH-UHFFFAOYSA-N 1 2 397.294 3.425 10 0 GGAELO C[C@@]1(Br)C[C@H]1C(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000528804367 567458412 /nfs/dbraw/zinc/45/84/12/567458412.db2.gz MGHUDDXTHSDMPE-MAUKXSAKSA-N 1 2 376.298 3.306 10 0 GGAELO C[C@]1(Br)C[C@@H]1C(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000528804368 567458477 /nfs/dbraw/zinc/45/84/77/567458477.db2.gz MGHUDDXTHSDMPE-QAPCUYQASA-N 1 2 376.298 3.306 10 0 GGAELO CC(C)(C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000528870622 567463842 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MVUCXNVLMTWAJW-GHMZBOCLSA-N 1 2 375.274 3.310 10 0 GGAELO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+][C@@H](C)c2ncc(Br)cn2)cc1 ZINC000550833214 567464823 /nfs/dbraw/zinc/46/48/23/567464823.db2.gz UJMAEODXJXQBIF-OLZOCXBDSA-N 1 2 398.326 3.061 10 0 GGAELO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+][C@@H](C)c2ncc(Br)cn2)cc1 ZINC000550833216 567465322 /nfs/dbraw/zinc/46/53/22/567465322.db2.gz UJMAEODXJXQBIF-STQMWFEESA-N 1 2 398.326 3.061 10 0 GGAELO CSc1c(C(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)cnn1C ZINC000478563459 567466843 /nfs/dbraw/zinc/46/68/43/567466843.db2.gz RRQYRISECOJDBI-UHFFFAOYSA-N 1 2 378.929 3.144 10 0 GGAELO CSc1c(C(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)cnn1C ZINC000478563459 567466848 /nfs/dbraw/zinc/46/68/48/567466848.db2.gz RRQYRISECOJDBI-UHFFFAOYSA-N 1 2 378.929 3.144 10 0 GGAELO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccc(Br)c(F)c1F ZINC000528894555 567466930 /nfs/dbraw/zinc/46/69/30/567466930.db2.gz VHAYTYIWTDLRHS-JTQLQIEISA-N 1 2 382.208 3.131 10 0 GGAELO COc1c[nH+]ccc1N1CCN(C(=O)c2c(O)cc(Cl)cc2Cl)CC1 ZINC000436920809 567467027 /nfs/dbraw/zinc/46/70/27/567467027.db2.gz AQUOADJLWWGDLL-UHFFFAOYSA-N 1 2 382.247 3.065 10 0 GGAELO Cc1ccc2[nH+]c(CNC(=O)c3cc(Br)cc4[nH]cnc43)cn2c1 ZINC000503142332 567469115 /nfs/dbraw/zinc/46/91/15/567469115.db2.gz PMDUZMGTNGCACN-UHFFFAOYSA-N 1 2 384.237 3.212 10 0 GGAELO CCc1onc(C)c1C(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000478593362 567469441 /nfs/dbraw/zinc/46/94/41/567469441.db2.gz LCUBLHSHTSAHNZ-UHFFFAOYSA-N 1 2 377.242 3.194 10 0 GGAELO C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1ccc(I)cc1Cl ZINC000503958761 567515509 /nfs/dbraw/zinc/51/55/09/567515509.db2.gz SIYIDBHFUCFXOF-GXSJLCMTSA-N 1 2 392.668 3.030 10 0 GGAELO COC(=O)c1ccc2c(c1)[C@H]([NH2+]Cc1nn(C)cc1Br)CCC2 ZINC000594506217 567482285 /nfs/dbraw/zinc/48/22/85/567482285.db2.gz MSYDNHDBLQIVCL-OAHLLOKOSA-N 1 2 378.270 3.136 10 0 GGAELO Cc1ccsc1-c1nc(=NC(=O)NC[C@H]2CC[N@H+]2C2CCCC2)s[nH]1 ZINC000529063113 567482371 /nfs/dbraw/zinc/48/23/71/567482371.db2.gz IKLDEBYZCUZVEG-CYBMUJFWSA-N 1 2 377.539 3.135 10 0 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567500292 /nfs/dbraw/zinc/50/02/92/567500292.db2.gz GONBTNDOXFVOKP-UHFFFAOYSA-N 1 2 378.314 3.419 10 0 GGAELO CCc1ccc(C[NH+]2CCN(Cc3ccc(S(C)(=O)=O)cc3)CC2)s1 ZINC000551387139 567501485 /nfs/dbraw/zinc/50/14/85/567501485.db2.gz SQQHRYYPMCMPMK-UHFFFAOYSA-N 1 2 378.563 3.032 10 0 GGAELO O=C(NC[C@H](c1cccs1)[NH+]1CCOCC1)[C@@H]1CC[C@H](C(F)(F)F)C1 ZINC000503699924 567502289 /nfs/dbraw/zinc/50/22/89/567502289.db2.gz TUGGDNHHWZPCCY-HZSPNIEDSA-N 1 2 376.444 3.216 10 0 GGAELO O=C(Cc1c(F)ccc(Br)c1F)NCc1ccn2cc[nH+]c2c1 ZINC000503715381 567503024 /nfs/dbraw/zinc/50/30/24/567503024.db2.gz HEKRNAUOAIKIKC-UHFFFAOYSA-N 1 2 380.192 3.234 10 0 GGAELO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2csc(N(C)C3CC3)n2)cc1 ZINC000551401708 567503421 /nfs/dbraw/zinc/50/34/21/567503421.db2.gz NNLDCEMQPJRVSU-CYBMUJFWSA-N 1 2 379.551 3.386 10 0 GGAELO Cn1cc[nH+]c1[C@@H](NC(=O)NCc1ccc(Cl)cc1Cl)C(C)(C)CO ZINC000663410939 567505428 /nfs/dbraw/zinc/50/54/28/567505428.db2.gz GZCZQSXKYSXHLU-CQSZACIVSA-N 1 2 385.295 3.286 10 0 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CNC(=O)NC[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3Cl)s2)CCO1 ZINC000529639452 567538015 /nfs/dbraw/zinc/53/80/15/567538015.db2.gz CGMYMRKXSQNSBV-CYBMUJFWSA-N 1 2 379.913 3.198 10 0 GGAELO CNC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3Cl)s2)CCO1 ZINC000529639452 567538020 /nfs/dbraw/zinc/53/80/20/567538020.db2.gz CGMYMRKXSQNSBV-CYBMUJFWSA-N 1 2 379.913 3.198 10 0 GGAELO Cc1nc(N[C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)c(Br)c(C)[nH+]1 ZINC000663871230 567538059 /nfs/dbraw/zinc/53/80/59/567538059.db2.gz PWHOOMNSGQISKK-KGLIPLIRSA-N 1 2 381.318 3.449 10 0 GGAELO Cc1cc(Br)cn2cc(CCNC(=O)N[C@@H]3[C@@H]4CCC[C@@H]43)[nH+]c12 ZINC000571115280 567538775 /nfs/dbraw/zinc/53/87/75/567538775.db2.gz UNZFGKUDIVSSKT-QDMKHBRRSA-N 1 2 377.286 3.045 10 0 GGAELO C[C@H]([NH2+]Cc1nn(C)cc1I)c1cc2cnccc2o1 ZINC000595054168 567538834 /nfs/dbraw/zinc/53/88/34/567538834.db2.gz YNRLOTPGKGQSOX-VIFPVBQESA-N 1 2 382.205 3.017 10 0 GGAELO CCCOc1c(Cl)cc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3(=O)=O)cc1OC ZINC000529673797 567539695 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GGAELO CC[N@@H+](CC(=O)N1CCO[C@@H](CC(F)(F)F)C1)Cc1ccccc1Cl ZINC000620786923 567543742 /nfs/dbraw/zinc/54/37/42/567543742.db2.gz XCDORRIJAWPMTK-AWEZNQCLSA-N 1 2 378.822 3.342 10 0 GGAELO C[C@@H](NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1)c1cc(F)c(Br)cc1F ZINC000529750535 567545117 /nfs/dbraw/zinc/54/51/17/567545117.db2.gz MJSDRKFHOSYMIJ-RKDXNWHRSA-N 1 2 384.224 3.433 10 0 GGAELO C[C@@H](NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1)c1cc(F)c(Br)cc1F ZINC000529750535 567545124 /nfs/dbraw/zinc/54/51/24/567545124.db2.gz MJSDRKFHOSYMIJ-RKDXNWHRSA-N 1 2 384.224 3.433 10 0 GGAELO COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)c2cc(Br)co2)cc1 ZINC000529833140 567549736 /nfs/dbraw/zinc/54/97/36/567549736.db2.gz FTJCLMKWQPQEKM-AWEZNQCLSA-N 1 2 379.254 3.055 10 0 GGAELO COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)c2cc(Br)co2)cc1 ZINC000529833140 567549738 /nfs/dbraw/zinc/54/97/38/567549738.db2.gz FTJCLMKWQPQEKM-AWEZNQCLSA-N 1 2 379.254 3.055 10 0 GGAELO Cc1cc(NCCNC(=O)c2cccc(F)c2Br)nc(C(C)C)[nH+]1 ZINC000529844855 567549754 /nfs/dbraw/zinc/54/97/54/567549754.db2.gz LYZMMXQBJVFZCA-UHFFFAOYSA-N 1 2 395.276 3.074 10 0 GGAELO Cc1cc(NCCNC(=O)c2c(F)cccc2Br)nc(C(C)C)[nH+]1 ZINC000529846694 567550117 /nfs/dbraw/zinc/55/01/17/567550117.db2.gz WESZBIIMRMRROX-UHFFFAOYSA-N 1 2 395.276 3.074 10 0 GGAELO O=C(NC/C=C/c1ccc(Br)cc1)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000571278307 567550327 /nfs/dbraw/zinc/55/03/27/567550327.db2.gz IJGQFOOAHLZZRM-VSZDKKFSSA-N 1 2 375.270 3.042 10 0 GGAELO O=C(NC/C=C/c1ccc(Br)cc1)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000571278307 567550331 /nfs/dbraw/zinc/55/03/31/567550331.db2.gz IJGQFOOAHLZZRM-VSZDKKFSSA-N 1 2 375.270 3.042 10 0 GGAELO CN(C)c1[nH+]cccc1CNC(=O)C1(c2cc(F)cc(Br)c2)CC1 ZINC000504947921 567554248 /nfs/dbraw/zinc/55/42/48/567554248.db2.gz HOMVWCKHPCOXRB-UHFFFAOYSA-N 1 2 392.272 3.397 10 0 GGAELO Fc1cc2[nH+]ccc(N3CC[C@@H](Cn4ccnn4)C3)c2cc1Br ZINC000664167780 567556451 /nfs/dbraw/zinc/55/64/51/567556451.db2.gz GFXPMEYFDSBRRK-LLVKDONJSA-N 1 2 376.233 3.254 10 0 GGAELO C[C@@H]([NH2+]Cc1cnn(Cc2ccc(F)cc2)c1)c1ncc(Br)cn1 ZINC000552083564 567556527 /nfs/dbraw/zinc/55/65/27/567556527.db2.gz MOOYHASJDDSGDF-GFCCVEGCSA-N 1 2 390.260 3.474 10 0 GGAELO Cn1ccc([C@@H]([NH2+]CC2(S(C)(=O)=O)CCCC2)c2ccc(Cl)cc2)n1 ZINC000552098273 567558580 /nfs/dbraw/zinc/55/85/80/567558580.db2.gz ZWQVYJCVWCXUOH-KRWDZBQOSA-N 1 2 381.929 3.110 10 0 GGAELO COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)C[C@@H](OC)[C@H]1CCOC1 ZINC000595371109 567559385 /nfs/dbraw/zinc/55/93/85/567559385.db2.gz QZMPDXFJYHKLKK-MAZHCROVSA-N 1 2 376.280 3.191 10 0 GGAELO COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)C[C@@H](OC)[C@H]1CCOC1 ZINC000595371109 567559389 /nfs/dbraw/zinc/55/93/89/567559389.db2.gz QZMPDXFJYHKLKK-MAZHCROVSA-N 1 2 376.280 3.191 10 0 GGAELO COC(=O)[C@H](c1ccccc1Br)[N@@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000595388510 567560186 /nfs/dbraw/zinc/56/01/86/567560186.db2.gz HGCPPBDJKROHKG-KEYYUXOJSA-N 1 2 382.298 3.412 10 0 GGAELO COC(=O)[C@H](c1ccccc1Br)[N@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000595388510 567560193 /nfs/dbraw/zinc/56/01/93/567560193.db2.gz HGCPPBDJKROHKG-KEYYUXOJSA-N 1 2 382.298 3.412 10 0 GGAELO COC(=O)[C@H](c1ccccc1Br)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000595385883 567560764 /nfs/dbraw/zinc/56/07/64/567560764.db2.gz AIOABIVDIVXYLQ-JQFCIGGWSA-N 1 2 392.297 3.443 10 0 GGAELO COC(=O)[C@H](c1ccccc1Br)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000595385882 567560976 /nfs/dbraw/zinc/56/09/76/567560976.db2.gz AIOABIVDIVXYLQ-COXVUDFISA-N 1 2 392.297 3.443 10 0 GGAELO Cc1ccc(CS(=O)(=O)Cc2ccc(Cl)cc2-n2cncn2)c(C)[nH+]1 ZINC000479838766 567562593 /nfs/dbraw/zinc/56/25/93/567562593.db2.gz TUUSNDZKVKKOLA-UHFFFAOYSA-N 1 2 376.869 3.048 10 0 GGAELO CCOC(=O)C[C@H]1C[C@H](OC)C[N@@H+]1Cc1ncc(Br)cc1Cl ZINC000595446683 567564743 /nfs/dbraw/zinc/56/47/43/567564743.db2.gz DUCHJVAWBWIQGW-NEPJUHHUSA-N 1 2 391.693 3.040 10 0 GGAELO CCOC(=O)C[C@H]1C[C@H](OC)C[N@H+]1Cc1ncc(Br)cc1Cl ZINC000595446683 567564747 /nfs/dbraw/zinc/56/47/47/567564747.db2.gz DUCHJVAWBWIQGW-NEPJUHHUSA-N 1 2 391.693 3.040 10 0 GGAELO Cn1ncc2c1nc(N[C@@H]1CSCc3ccc(Br)cc31)[nH+]c2N ZINC000664362508 567565295 /nfs/dbraw/zinc/56/52/95/567565295.db2.gz WWGPHATVRNTBSA-GFCCVEGCSA-N 1 2 391.298 3.108 10 0 GGAELO C[C@@H](O)CNc1cc(N[C@@H]2CSCc3ccc(Br)cc32)nc[nH+]1 ZINC000664362245 567565440 /nfs/dbraw/zinc/56/54/40/567565440.db2.gz JUBHVCBNTDGOQX-QMTHXVAHSA-N 1 2 395.326 3.432 10 0 GGAELO C[C@@H](O)CNc1cc(N[C@@H]2CSCc3ccc(Br)cc32)[nH+]cn1 ZINC000664362245 567565443 /nfs/dbraw/zinc/56/54/43/567565443.db2.gz JUBHVCBNTDGOQX-QMTHXVAHSA-N 1 2 395.326 3.432 10 0 GGAELO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1Cc1ncc(Br)cc1Cl ZINC000595446689 567565534 /nfs/dbraw/zinc/56/55/34/567565534.db2.gz DUCHJVAWBWIQGW-RYUDHWBXSA-N 1 2 391.693 3.040 10 0 GGAELO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@H+]1Cc1ncc(Br)cc1Cl ZINC000595446689 567565538 /nfs/dbraw/zinc/56/55/38/567565538.db2.gz DUCHJVAWBWIQGW-RYUDHWBXSA-N 1 2 391.693 3.040 10 0 GGAELO Cc1cc(Br)c(CNc2cc(N3CC[C@H]([C@H](C)O)C3)nc[nH+]2)s1 ZINC000664401115 567568134 /nfs/dbraw/zinc/56/81/34/567568134.db2.gz JTDNGLPPDMGUCJ-RYUDHWBXSA-N 1 2 397.342 3.428 10 0 GGAELO Cc1cc(Br)c(CNc2cc(N3CC[C@H]([C@H](C)O)C3)[nH+]cn2)s1 ZINC000664401115 567568137 /nfs/dbraw/zinc/56/81/37/567568137.db2.gz JTDNGLPPDMGUCJ-RYUDHWBXSA-N 1 2 397.342 3.428 10 0 GGAELO C[C@@H]1CO[C@H](C(F)(F)F)C[N@@H+]1CCC(=O)Nc1ccccc1Br ZINC000664431699 567568834 /nfs/dbraw/zinc/56/88/34/567568834.db2.gz JFCCJKBQLSRSLP-MFKMUULPSA-N 1 2 395.219 3.429 10 0 GGAELO C[C@@H]1CO[C@H](C(F)(F)F)C[N@H+]1CCC(=O)Nc1ccccc1Br ZINC000664431699 567568841 /nfs/dbraw/zinc/56/88/41/567568841.db2.gz JFCCJKBQLSRSLP-MFKMUULPSA-N 1 2 395.219 3.429 10 0 GGAELO CC[NH+](CC)[C@@H](CNS(=O)(=O)CC(C)(C)OC)c1ccccc1Cl ZINC000439211543 567571710 /nfs/dbraw/zinc/57/17/10/567571710.db2.gz IEHBQKMJTZRZHN-INIZCTEOSA-N 1 2 376.950 3.067 10 0 GGAELO COc1cc(C[N@@H+]2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)c(Br)cn1 ZINC000621298710 567574174 /nfs/dbraw/zinc/57/41/74/567574174.db2.gz GPXUJRGXGPBNJT-YJBOKZPZSA-N 1 2 395.272 3.153 10 0 GGAELO COc1cc(C[N@H+]2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)c(Br)cn1 ZINC000621298710 567574179 /nfs/dbraw/zinc/57/41/79/567574179.db2.gz GPXUJRGXGPBNJT-YJBOKZPZSA-N 1 2 395.272 3.153 10 0 GGAELO COc1cc(C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)c(Br)cn1 ZINC000621289864 567574510 /nfs/dbraw/zinc/57/45/10/567574510.db2.gz SWPPGDBPEYRYBG-IIYDPXPESA-N 1 2 385.302 3.011 10 0 GGAELO COc1cc(C[N@H+]2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)c(Br)cn1 ZINC000621289864 567574513 /nfs/dbraw/zinc/57/45/13/567574513.db2.gz SWPPGDBPEYRYBG-IIYDPXPESA-N 1 2 385.302 3.011 10 0 GGAELO COc1cc2c(c(C[NH2+][C@@H](C)c3ncc(Br)cn3)c1)O[C@H](C)C2 ZINC000552311807 567575989 /nfs/dbraw/zinc/57/59/89/567575989.db2.gz BDRFMTHUQNKJNX-MNOVXSKESA-N 1 2 378.270 3.422 10 0 GGAELO COCCC1CN(C(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000644767533 567577566 /nfs/dbraw/zinc/57/75/66/567577566.db2.gz ILCKXHLXQRNJPV-KRWDZBQOSA-N 1 2 381.314 3.081 10 0 GGAELO C[C@H]1CN(c2ccc(CNc3cc(Br)ccn3)c[nH+]2)C[C@H](C)O1 ZINC000480083127 567580132 /nfs/dbraw/zinc/58/01/32/567580132.db2.gz NQSHOZJFHJQJKT-STQMWFEESA-N 1 2 377.286 3.465 10 0 GGAELO CN(C)c1ncc(C[N@H+](C)CC[S@@](=O)c2cc(Cl)ccc2Cl)cn1 ZINC000505502902 567580250 /nfs/dbraw/zinc/58/02/50/567580250.db2.gz IGRJYRQSUNLIDF-XMMPIXPASA-N 1 2 387.336 3.089 10 0 GGAELO CN(C)c1ncc(C[N@@H+](C)CC[S@@](=O)c2cc(Cl)ccc2Cl)cn1 ZINC000505502902 567580256 /nfs/dbraw/zinc/58/02/56/567580256.db2.gz IGRJYRQSUNLIDF-XMMPIXPASA-N 1 2 387.336 3.089 10 0 GGAELO C[C@@H]1CN(c2ccc(CNc3cc(Br)ccn3)c[nH+]2)C[C@H](C)O1 ZINC000480083123 567580678 /nfs/dbraw/zinc/58/06/78/567580678.db2.gz NQSHOZJFHJQJKT-BETUJISGSA-N 1 2 377.286 3.465 10 0 GGAELO O=C(C[N@H+]1CCC[C@@H](CCF)C1)Nc1ccccc1I ZINC000595755909 567580652 /nfs/dbraw/zinc/58/06/52/567580652.db2.gz RCBIXFMBXLMILY-LBPRGKRZSA-N 1 2 390.240 3.301 10 0 GGAELO O=C(C[N@@H+]1CCC[C@@H](CCF)C1)Nc1ccccc1I ZINC000595755909 567580657 /nfs/dbraw/zinc/58/06/57/567580657.db2.gz RCBIXFMBXLMILY-LBPRGKRZSA-N 1 2 390.240 3.301 10 0 GGAELO C[C@@H](F)CCNC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000458870652 567580827 /nfs/dbraw/zinc/58/08/27/567580827.db2.gz DTTLRNSYXGPNAZ-GFCCVEGCSA-N 1 2 387.253 3.199 10 0 GGAELO O=S1(=O)Cc2ccccc2[C@@H]([NH2+]Cc2ccc(Br)c(F)c2)C1 ZINC000621356388 567580870 /nfs/dbraw/zinc/58/08/70/567580870.db2.gz LLIOJKVDVVIECT-INIZCTEOSA-N 1 2 384.270 3.348 10 0 GGAELO O=S1(=O)Cc2ccccc2[C@H]([NH2+]Cc2cc(F)cc(Br)c2)C1 ZINC000621356649 567580920 /nfs/dbraw/zinc/58/09/20/567580920.db2.gz TWUUCWKBFSRVSY-MRXNPFEDSA-N 1 2 384.270 3.348 10 0 GGAELO COC(=O)[C@](C)(CCF)[NH2+]CCCc1ccc(Br)cc1OC ZINC000595775142 567581894 /nfs/dbraw/zinc/58/18/94/567581894.db2.gz MUCGQVZCESCSQL-INIZCTEOSA-N 1 2 376.266 3.271 10 0 GGAELO Cc1cc(Br)cn2cc(CNC(=O)N3CC[C@@H](C)O[C@@H](C)C3)[nH+]c12 ZINC000664659264 567582021 /nfs/dbraw/zinc/58/20/21/567582021.db2.gz JXNKPMWAPHYFPU-OLZOCXBDSA-N 1 2 395.301 3.114 10 0 GGAELO NC(=O)c1cc(F)ccc1N1CC[NH+](Cc2ccccc2Br)CC1 ZINC000621385508 567582704 /nfs/dbraw/zinc/58/27/04/567582704.db2.gz LSUMDQJWYXSZDH-UHFFFAOYSA-N 1 2 392.272 3.009 10 0 GGAELO NC(=O)c1cc(F)ccc1N1CC[NH+](Cc2csc(Br)c2)CC1 ZINC000621385278 567582954 /nfs/dbraw/zinc/58/29/54/567582954.db2.gz BXJUQTOFBNOXPW-UHFFFAOYSA-N 1 2 398.301 3.071 10 0 GGAELO COC(=O)c1cc(NCc2c[nH+]cn2C)c2cc(Br)ccc2n1 ZINC000571729188 567584594 /nfs/dbraw/zinc/58/45/94/567584594.db2.gz WIYCKCHOWDWRCO-UHFFFAOYSA-N 1 2 375.226 3.130 10 0 GGAELO C[C@H](NC(=O)NCC(F)(F)c1ccc(Br)cc1)c1[nH+]ccn1C ZINC000621471121 567587156 /nfs/dbraw/zinc/58/71/56/567587156.db2.gz GSSYKDJORHIVAB-JTQLQIEISA-N 1 2 387.228 3.335 10 0 GGAELO Cc1ncc(C[NH2+][C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)s1 ZINC000480210741 567588867 /nfs/dbraw/zinc/58/88/67/567588867.db2.gz RYPSUEPDPVUAPB-CYBMUJFWSA-N 1 2 387.324 3.222 10 0 GGAELO NS(=O)(=O)c1cc2c(s1)CC[N@H+](CCCSCc1ccccc1)C2 ZINC000595885144 567589093 /nfs/dbraw/zinc/58/90/93/567589093.db2.gz ONGGXCJSGCNBRN-UHFFFAOYSA-N 1 2 382.576 3.077 10 0 GGAELO NS(=O)(=O)c1cc2c(s1)CC[N@@H+](CCCSCc1ccccc1)C2 ZINC000595885144 567589099 /nfs/dbraw/zinc/58/90/99/567589099.db2.gz ONGGXCJSGCNBRN-UHFFFAOYSA-N 1 2 382.576 3.077 10 0 GGAELO Cc1cc(Br)cn2cc(CNC(=O)N3CC(CC4CC4)C3)[nH+]c12 ZINC000621503999 567589532 /nfs/dbraw/zinc/58/95/32/567589532.db2.gz AIADYISYSJDIRU-UHFFFAOYSA-N 1 2 377.286 3.347 10 0 GGAELO COC(=O)c1sc2c(c1Br)CN(Cc1c[nH+]c3ccccn13)C2 ZINC000595905413 567591715 /nfs/dbraw/zinc/59/17/15/567591715.db2.gz NUXTYQBINCZWRD-UHFFFAOYSA-N 1 2 392.278 3.461 10 0 GGAELO COC(=O)c1cnc([C@H]2CCC[N@@H+](Cc3csc([C@@H](C)OC)n3)C2)s1 ZINC000595918162 567593470 /nfs/dbraw/zinc/59/34/70/567593470.db2.gz ILSNTKKEXAINRP-NEPJUHHUSA-N 1 2 381.523 3.473 10 0 GGAELO COC(=O)c1cnc([C@H]2CCC[N@H+](Cc3csc([C@@H](C)OC)n3)C2)s1 ZINC000595918162 567593476 /nfs/dbraw/zinc/59/34/76/567593476.db2.gz ILSNTKKEXAINRP-NEPJUHHUSA-N 1 2 381.523 3.473 10 0 GGAELO C[C@@H]1CC[C@H](C)CN1C(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000571855511 567593854 /nfs/dbraw/zinc/59/38/54/567593854.db2.gz BYEJIZLDVGCGSM-QWHCGFSZSA-N 1 2 397.317 3.333 10 0 GGAELO CCn1cc[nH+]c1CNC(=O)N1CCC[C@@H]1c1ccc(Br)cn1 ZINC000459007892 567594124 /nfs/dbraw/zinc/59/41/24/567594124.db2.gz LVBQHSBOJJTHOW-CQSZACIVSA-N 1 2 378.274 3.107 10 0 GGAELO CCn1cc[nH+]c1[C@H](C)NC(=O)Nc1cnc2c(Br)cccn12 ZINC000645009495 567599211 /nfs/dbraw/zinc/59/92/11/567599211.db2.gz SPNSRKISCNQHIT-JTQLQIEISA-N 1 2 377.246 3.196 10 0 GGAELO C[C@@H]1CCN(C(=O)NCCc2cccc(Br)c2)C[C@@H]1n1cc[nH+]c1 ZINC000459143262 567601597 /nfs/dbraw/zinc/60/15/97/567601597.db2.gz CJNWFOPGOOTGHZ-PBHICJAKSA-N 1 2 391.313 3.481 10 0 GGAELO Cc1cc(S(=O)(=O)Nc2cc[nH+]c(C)c2Br)sc1Cl ZINC000530440359 567602649 /nfs/dbraw/zinc/60/26/49/567602649.db2.gz WGLJZJGVCCKJPV-UHFFFAOYSA-N 1 2 381.704 3.399 10 0 GGAELO C[C@H](NC(=O)C(C)(C)c1c[nH]c[nH+]1)c1cc2c(cc1Br)OCCO2 ZINC000621677826 567604118 /nfs/dbraw/zinc/60/41/18/567604118.db2.gz GSWVRDHEVORXEN-JTQLQIEISA-N 1 2 394.269 3.098 10 0 GGAELO Cn1c[nH+]c(CCNC(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)c1 ZINC000459166551 567604241 /nfs/dbraw/zinc/60/42/41/567604241.db2.gz DUFGAMVGMHLWIA-UHFFFAOYSA-N 1 2 376.766 3.379 10 0 GGAELO CC(C)N(Cc1ccc(Br)cc1)C(=O)NCCc1cn(C)c[nH+]1 ZINC000459186058 567605786 /nfs/dbraw/zinc/60/57/86/567605786.db2.gz UDKOFXOBXSDGNT-UHFFFAOYSA-N 1 2 379.302 3.345 10 0 GGAELO CC(C)(C(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1)c1c[nH]c[nH+]1 ZINC000621720915 567607347 /nfs/dbraw/zinc/60/73/47/567607347.db2.gz UWXMSWRPPULOMJ-CYBMUJFWSA-N 1 2 391.313 3.093 10 0 GGAELO C[N@@H+]1CCO[C@@H](C(=O)N2c3ccc(Br)cc3[C@@H]3CCCC[C@@H]32)C1 ZINC000552765456 567607830 /nfs/dbraw/zinc/60/78/30/567607830.db2.gz PCBIFGCZAWILRT-JLJPHGGASA-N 1 2 379.298 3.153 10 0 GGAELO C[N@H+]1CCO[C@@H](C(=O)N2c3ccc(Br)cc3[C@@H]3CCCC[C@@H]32)C1 ZINC000552765456 567607837 /nfs/dbraw/zinc/60/78/37/567607837.db2.gz PCBIFGCZAWILRT-JLJPHGGASA-N 1 2 379.298 3.153 10 0 GGAELO Cc1cc(NCCCCn2cc(Br)cn2)nc(-c2cccnc2)[nH+]1 ZINC000480506972 567608222 /nfs/dbraw/zinc/60/82/22/567608222.db2.gz TXLDZKUULKTYHT-UHFFFAOYSA-N 1 2 387.285 3.120 10 0 GGAELO Cn1cc[nH+]c1CN1CCN(C(=O)Nc2cc(Cl)c(Cl)cc2F)CC1 ZINC000439956264 567608340 /nfs/dbraw/zinc/60/83/40/567608340.db2.gz GAWLOSZEDWBQAU-UHFFFAOYSA-N 1 2 386.258 3.216 10 0 GGAELO C[N@@H+]1CCO[C@H](C(=O)N2c3ccc(Br)cc3[C@@H]3CCCC[C@@H]32)C1 ZINC000552765459 567608628 /nfs/dbraw/zinc/60/86/28/567608628.db2.gz PCBIFGCZAWILRT-QRTARXTBSA-N 1 2 379.298 3.153 10 0 GGAELO C[N@H+]1CCO[C@H](C(=O)N2c3ccc(Br)cc3[C@@H]3CCCC[C@@H]32)C1 ZINC000552765459 567608632 /nfs/dbraw/zinc/60/86/32/567608632.db2.gz PCBIFGCZAWILRT-QRTARXTBSA-N 1 2 379.298 3.153 10 0 GGAELO COC(=O)Cc1cc[nH+]c(NCc2cc(OC)c(OC)cc2Br)c1 ZINC000596103719 567609036 /nfs/dbraw/zinc/60/90/36/567609036.db2.gz DWCCWDLVONCEKN-UHFFFAOYSA-N 1 2 395.253 3.189 10 0 GGAELO CC(=O)N1CC[C@H]([NH2+][C@H](C)c2ncc(Br)cn2)c2ccccc21 ZINC000621762797 567610136 /nfs/dbraw/zinc/61/01/36/567610136.db2.gz KWBRTCCZKOPYSW-ABAIWWIYSA-N 1 2 375.270 3.388 10 0 GGAELO COCCO[C@@H]1COCC[C@@H]1[NH2+][C@@H](c1ccc(Br)cc1)C(F)F ZINC000621760632 567610453 /nfs/dbraw/zinc/61/04/53/567610453.db2.gz OVIQWKYGAGKVRM-ZNMIVQPWSA-N 1 2 394.256 3.165 10 0 GGAELO COCCO[C@@H]1COCC[C@H]1[NH2+][C@@H](c1ccc(Br)cc1)C(F)F ZINC000621760629 567610470 /nfs/dbraw/zinc/61/04/70/567610470.db2.gz OVIQWKYGAGKVRM-KFWWJZLASA-N 1 2 394.256 3.165 10 0 GGAELO COC(=O)Cc1cc[nH+]c(NC[C@H](C)Oc2ccc(Br)cc2)c1 ZINC000596141747 567611681 /nfs/dbraw/zinc/61/16/81/567611681.db2.gz JYVKBFLWZQDWLO-LBPRGKRZSA-N 1 2 379.254 3.439 10 0 GGAELO CCOC(=O)c1sc([C@H](C)Nc2nc(C)[nH+]c(C)c2Br)nc1C ZINC000596156186 567612936 /nfs/dbraw/zinc/61/29/36/567612936.db2.gz GPBSIBCQWKOQDQ-VIFPVBQESA-N 1 2 399.314 3.393 10 0 GGAELO Cc1cc(Br)cc(Cl)c1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000480593463 567613915 /nfs/dbraw/zinc/61/39/15/567613915.db2.gz CWYKIULHRLLLGD-UHFFFAOYSA-N 1 2 389.721 3.252 10 0 GGAELO O=C(Nc1cc(Cl)c(Cl)cc1F)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000440068363 567613851 /nfs/dbraw/zinc/61/38/51/567613851.db2.gz CTUBSIJQPKVXLK-UHFFFAOYSA-N 1 2 385.226 3.200 10 0 GGAELO Cc1cc(Br)cc(Cl)c1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000480593463 567613912 /nfs/dbraw/zinc/61/39/12/567613912.db2.gz CWYKIULHRLLLGD-UHFFFAOYSA-N 1 2 389.721 3.252 10 0 GGAELO COC(=O)Cc1cc[nH+]c(N2CCc3cc(Br)cc(C)c3C2)c1 ZINC000596186351 567614375 /nfs/dbraw/zinc/61/43/75/567614375.db2.gz UWBCLNLQOUNPST-UHFFFAOYSA-N 1 2 375.266 3.431 10 0 GGAELO CCOc1cc(CN2CC[NH+](Cc3ccco3)CC2)cc(Br)c1O ZINC000459317326 567614505 /nfs/dbraw/zinc/61/45/05/567614505.db2.gz ZVQAUZZWLNQPQY-UHFFFAOYSA-N 1 2 395.297 3.464 10 0 GGAELO Cc1cc(Br)cc(Cl)c1C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000480598545 567615057 /nfs/dbraw/zinc/61/50/57/567615057.db2.gz TVZFHNVERVEMAF-NEPJUHHUSA-N 1 2 389.721 3.250 10 0 GGAELO COCCN(Cc1cc(Br)cs1)c1cc(CC(=O)OC)cc[nH+]1 ZINC000596211268 567615571 /nfs/dbraw/zinc/61/55/71/567615571.db2.gz VJPKJEUKSUAZMT-UHFFFAOYSA-N 1 2 399.310 3.274 10 0 GGAELO COC(=O)Cc1cc[nH+]c(NCc2ccc(I)c(C)c2)c1 ZINC000596225763 567617555 /nfs/dbraw/zinc/61/75/55/567617555.db2.gz ORVXFPRAFCPIPZ-UHFFFAOYSA-N 1 2 396.228 3.322 10 0 GGAELO COC(=O)Cc1cc[nH+]c(N[C@@H]2CCOc3c(Br)cccc32)c1 ZINC000596226342 567617671 /nfs/dbraw/zinc/61/76/71/567617671.db2.gz IMAHINCHYGQAFI-CQSZACIVSA-N 1 2 377.238 3.495 10 0 GGAELO COc1cc(CNc2cc(N3CCCC3)nc[nH+]2)c(Br)cc1O ZINC000645410197 567622081 /nfs/dbraw/zinc/62/20/81/567622081.db2.gz UYZAWKOWYZQMBF-UHFFFAOYSA-N 1 2 379.258 3.166 10 0 GGAELO COc1cc(CNc2cc(N3CCCC3)[nH+]cn2)c(Br)cc1O ZINC000645410197 567622085 /nfs/dbraw/zinc/62/20/85/567622085.db2.gz UYZAWKOWYZQMBF-UHFFFAOYSA-N 1 2 379.258 3.166 10 0 GGAELO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)Cc1cnn(CC(F)(F)F)c1 ZINC000506354389 567622831 /nfs/dbraw/zinc/62/28/31/567622831.db2.gz DIMFINDCWSSZGT-LBPRGKRZSA-N 1 2 375.416 3.042 10 0 GGAELO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)Cc1cnn(CC(F)(F)F)c1 ZINC000506354389 567622838 /nfs/dbraw/zinc/62/28/38/567622838.db2.gz DIMFINDCWSSZGT-LBPRGKRZSA-N 1 2 375.416 3.042 10 0 GGAELO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1ncsc1Br ZINC000553051702 567622777 /nfs/dbraw/zinc/62/27/77/567622777.db2.gz ZNECSYFSTRVVIV-UHFFFAOYSA-N 1 2 381.230 3.160 10 0 GGAELO Cc1cc(Br)cc2c(C(=O)NCC3([NH+]4CCOCC4)CC3)coc21 ZINC000572215932 567622914 /nfs/dbraw/zinc/62/29/14/567622914.db2.gz PANVYBDORKBHKO-UHFFFAOYSA-N 1 2 393.281 3.098 10 0 GGAELO Cc1nc(C)c(C(=O)N2CC[NH+](CCc3ccc(Cl)c(Cl)c3)CC2)[nH]1 ZINC000621937394 567623745 /nfs/dbraw/zinc/62/37/45/567623745.db2.gz ASQLFKNVVJRIMU-UHFFFAOYSA-N 1 2 381.307 3.334 10 0 GGAELO Cc1cc(Br)cn2cc(CNC(=O)NC[C@@H](C)CC(F)F)[nH+]c12 ZINC000645433812 567625236 /nfs/dbraw/zinc/62/52/36/567625236.db2.gz DFIDOEYNMOJVFL-VIFPVBQESA-N 1 2 389.244 3.496 10 0 GGAELO CC1(C)C[NH+](CC(=O)Nc2ccc(CCn3cc(Br)cn3)cc2)C1 ZINC000572255615 567625610 /nfs/dbraw/zinc/62/56/10/567625610.db2.gz PPVQCGSFOMIDHW-UHFFFAOYSA-N 1 2 391.313 3.169 10 0 GGAELO CC[C@H](C)NC(=O)C[N@@H+]1CCC[C@@H]1c1ccccc1I ZINC000506469645 567626261 /nfs/dbraw/zinc/62/62/61/567626261.db2.gz JAUGQEBGXUUDKD-SWLSCSKDSA-N 1 2 386.277 3.343 10 0 GGAELO CC[C@H](C)NC(=O)C[N@H+]1CCC[C@@H]1c1ccccc1I ZINC000506469645 567626268 /nfs/dbraw/zinc/62/62/68/567626268.db2.gz JAUGQEBGXUUDKD-SWLSCSKDSA-N 1 2 386.277 3.343 10 0 GGAELO COC(=O)[C@@H]1C[C@H](C(F)(F)F)CN(c2nc(C)[nH+]c(C)c2Br)C1 ZINC000596348584 567626346 /nfs/dbraw/zinc/62/63/46/567626346.db2.gz CYEPICNOAFJWAC-ZJUUUORDSA-N 1 2 396.207 3.034 10 0 GGAELO CCN(CC)C(=O)C[N@@H+]1CCC[C@H]1c1ccccc1I ZINC000506473033 567628577 /nfs/dbraw/zinc/62/85/77/567628577.db2.gz GYBUDHPHOWNLMI-HNNXBMFYSA-N 1 2 386.277 3.297 10 0 GGAELO CCN(CC)C(=O)C[N@H+]1CCC[C@H]1c1ccccc1I ZINC000506473033 567628583 /nfs/dbraw/zinc/62/85/83/567628583.db2.gz GYBUDHPHOWNLMI-HNNXBMFYSA-N 1 2 386.277 3.297 10 0 GGAELO COc1ccc([C@@H](C)NC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)cc1Br ZINC000665532695 567628773 /nfs/dbraw/zinc/62/87/73/567628773.db2.gz QTSICWGSKGJWTA-ZYHUDNBSSA-N 1 2 378.270 3.163 10 0 GGAELO COc1ccc([C@@H](C)NC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)cc1Br ZINC000665532695 567628778 /nfs/dbraw/zinc/62/87/78/567628778.db2.gz QTSICWGSKGJWTA-ZYHUDNBSSA-N 1 2 378.270 3.163 10 0 GGAELO COc1ccc([C@H](C)NC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)cc1Br ZINC000665532692 567628967 /nfs/dbraw/zinc/62/89/67/567628967.db2.gz QTSICWGSKGJWTA-CMPLNLGQSA-N 1 2 378.270 3.163 10 0 GGAELO COc1ccc([C@H](C)NC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)cc1Br ZINC000665532692 567628970 /nfs/dbraw/zinc/62/89/70/567628970.db2.gz QTSICWGSKGJWTA-CMPLNLGQSA-N 1 2 378.270 3.163 10 0 GGAELO COCc1cnc(CN2CC[NH+](CCOc3ccccc3Cl)CC2)s1 ZINC000553133813 567629791 /nfs/dbraw/zinc/62/97/91/567629791.db2.gz YXYUBIKEDSVKNU-UHFFFAOYSA-N 1 2 381.929 3.140 10 0 GGAELO Cc1c(Br)cncc1C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000665561248 567630156 /nfs/dbraw/zinc/63/01/56/567630156.db2.gz NFMKJPPXOAMKOH-UHFFFAOYSA-N 1 2 380.311 3.172 10 0 GGAELO CC[C@@H](CO)[NH+]1CCN(C(=O)c2sc3ccccc3c2Br)CC1 ZINC000572329631 567631741 /nfs/dbraw/zinc/63/17/41/567631741.db2.gz VSUVRAMKZIZPIV-LBPRGKRZSA-N 1 2 397.338 3.193 10 0 GGAELO O=C(C[N@H+]1CCC[C@H]1c1ccccc1I)N1CCCC1 ZINC000506597957 567632946 /nfs/dbraw/zinc/63/29/46/567632946.db2.gz SCHRSEZHZVMQCH-HNNXBMFYSA-N 1 2 384.261 3.051 10 0 GGAELO O=C(C[N@@H+]1CCC[C@H]1c1ccccc1I)N1CCCC1 ZINC000506597957 567632952 /nfs/dbraw/zinc/63/29/52/567632952.db2.gz SCHRSEZHZVMQCH-HNNXBMFYSA-N 1 2 384.261 3.051 10 0 GGAELO O=C1[C@@H]([NH2+]Cc2cccc(O)c2Br)CCN1Cc1ccc(F)cc1 ZINC000459515275 567633027 /nfs/dbraw/zinc/63/30/27/567633027.db2.gz GYVGZTXQPXVLHS-HNNXBMFYSA-N 1 2 393.256 3.185 10 0 GGAELO O=C1[C@H](Nc2[nH+]ccc3cc(Br)ccc32)CCN1C1CCOCC1 ZINC000665704631 567636267 /nfs/dbraw/zinc/63/62/67/567636267.db2.gz LLFHTCNRNMSHGT-MRXNPFEDSA-N 1 2 390.281 3.189 10 0 GGAELO C[C@@H]1CN(CC(F)(F)F)CC[N@H+](Cc2cccc(O)c2Br)C1 ZINC000459562934 567637603 /nfs/dbraw/zinc/63/76/03/567637603.db2.gz DJCAAAFNOGCSHP-NSHDSACASA-N 1 2 381.236 3.471 10 0 GGAELO C[C@@H]1CN(CC(F)(F)F)CC[N@@H+](Cc2cccc(O)c2Br)C1 ZINC000459562934 567637606 /nfs/dbraw/zinc/63/76/06/567637606.db2.gz DJCAAAFNOGCSHP-NSHDSACASA-N 1 2 381.236 3.471 10 0 GGAELO 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567759380 /nfs/dbraw/zinc/75/93/80/567759380.db2.gz VWRQOGOSIJQZBS-HYVNUMGLSA-N 1 2 386.293 3.112 10 0 GGAELO O=C(NCCCCn1cc[nH+]c1)N[C@@H]1CCOc2c(Br)cccc21 ZINC000574174187 567760951 /nfs/dbraw/zinc/76/09/51/567760951.db2.gz YJOKEYSBIYERPA-OAHLLOKOSA-N 1 2 393.285 3.249 10 0 GGAELO O=C(NCCCCn1cc[nH+]c1)N[C@H]1CCOc2c(Br)cccc21 ZINC000574174186 567761748 /nfs/dbraw/zinc/76/17/48/567761748.db2.gz YJOKEYSBIYERPA-HNNXBMFYSA-N 1 2 393.285 3.249 10 0 GGAELO COc1ncc(Br)cc1C[NH2+][C@H](c1nnc[nH]1)C1CCCCC1 ZINC000624134464 567762286 /nfs/dbraw/zinc/76/22/86/567762286.db2.gz VZQFLLQNVZHCLG-AWEZNQCLSA-N 1 2 380.290 3.382 10 0 GGAELO C[C@@H](C(=O)N1CCSc2ccccc21)[N@@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000574202570 567762777 /nfs/dbraw/zinc/76/27/77/567762777.db2.gz JFAKUWQHMHSZNX-ZFWWWQNUSA-N 1 2 376.913 3.311 10 0 GGAELO C[C@@H](C(=O)N1CCSc2ccccc21)[N@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000574202570 567762781 /nfs/dbraw/zinc/76/27/81/567762781.db2.gz JFAKUWQHMHSZNX-ZFWWWQNUSA-N 1 2 376.913 3.311 10 0 GGAELO C[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C(F)(F)F)s2)[C@@H]1c1ccccc1 ZINC000462060721 567763266 /nfs/dbraw/zinc/76/32/66/567763266.db2.gz UIKJFPNFXWGCQA-DOMZBBRYSA-N 1 2 390.452 3.491 10 0 GGAELO C[N@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C(F)(F)F)s2)[C@@H]1c1ccccc1 ZINC000462060721 567763268 /nfs/dbraw/zinc/76/32/68/567763268.db2.gz UIKJFPNFXWGCQA-DOMZBBRYSA-N 1 2 390.452 3.491 10 0 GGAELO NC(=O)c1c(F)cc(Br)cc1NCc1ccccc1-n1cc[nH+]c1 ZINC000443515097 567764146 /nfs/dbraw/zinc/76/41/46/567764146.db2.gz BEZDNOKBHRKYQF-UHFFFAOYSA-N 1 2 389.228 3.485 10 0 GGAELO Cn1nc(C(F)(F)F)cc1C[N@H+](C)[C@@H](CO)c1cccc(Br)c1 ZINC000667683366 567764985 /nfs/dbraw/zinc/76/49/85/567764985.db2.gz NWGLHTSJZLVXBI-ZDUSSCGKSA-N 1 2 392.219 3.367 10 0 GGAELO Cn1nc(C(F)(F)F)cc1C[N@@H+](C)[C@@H](CO)c1cccc(Br)c1 ZINC000667683366 567764993 /nfs/dbraw/zinc/76/49/93/567764993.db2.gz NWGLHTSJZLVXBI-ZDUSSCGKSA-N 1 2 392.219 3.367 10 0 GGAELO Cc1nccc(C[NH+]2CCN([C@H](C)c3ccc(Br)cc3)CC2)n1 ZINC000508758607 567765637 /nfs/dbraw/zinc/76/56/37/567765637.db2.gz JZWVFMFKDGJXNJ-CQSZACIVSA-N 1 2 375.314 3.426 10 0 GGAELO O=C(Cn1cc[nH+]c1)Nc1nc(Cc2ccccc2Br)cs1 ZINC000574237351 567765728 /nfs/dbraw/zinc/76/57/28/567765728.db2.gz VVPRTQZMXPOJTC-UHFFFAOYSA-N 1 2 377.267 3.332 10 0 GGAELO C[C@H]([NH2+]Cc1ccc2oc(=O)n(C)c2c1)c1ncc(Br)cc1F ZINC000624204635 567767454 /nfs/dbraw/zinc/76/74/54/567767454.db2.gz DCKOZDJVNKILCQ-VIFPVBQESA-N 1 2 380.217 3.279 10 0 GGAELO Cc1cc(CC(=O)N2CC[NH+](CCc3ccc(Cl)c(Cl)c3)CC2)on1 ZINC000574282993 567769800 /nfs/dbraw/zinc/76/98/00/567769800.db2.gz CJKZTPOCKZOIAK-UHFFFAOYSA-N 1 2 382.291 3.219 10 0 GGAELO O=C(Nc1cc(Cl)ccc1N1CCSCC1)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000667738494 567771583 /nfs/dbraw/zinc/77/15/83/567771583.db2.gz PPDBXRRNVNOJSO-LBPRGKRZSA-N 1 2 376.913 3.360 10 0 GGAELO O=C(Nc1cc(Cl)ccc1N1CCSCC1)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000667738494 567771587 /nfs/dbraw/zinc/77/15/87/567771587.db2.gz PPDBXRRNVNOJSO-LBPRGKRZSA-N 1 2 376.913 3.360 10 0 GGAELO COCc1cnc(C[NH2+][C@@H](CCO)c2cccc(OC(F)(F)F)c2)s1 ZINC000647235957 567772850 /nfs/dbraw/zinc/77/28/50/567772850.db2.gz LUZPMUHLFNOGSQ-AWEZNQCLSA-N 1 2 376.400 3.401 10 0 GGAELO CS(=O)(=O)c1cccc(Cl)c1C[NH2+]Cc1ccc2c(c1)OC(F)(F)O2 ZINC000647225194 567773103 /nfs/dbraw/zinc/77/31/03/567773103.db2.gz SUWLIBSNAQDXHY-UHFFFAOYSA-N 1 2 389.807 3.355 10 0 GGAELO Cc1c(Cl)c(C[NH2+][C@H](CCO)c2cccc(OC(F)(F)F)c2)nn1C ZINC000647236100 567773169 /nfs/dbraw/zinc/77/31/69/567773169.db2.gz SVEQZPOYMXFREF-CYBMUJFWSA-N 1 2 377.794 3.494 10 0 GGAELO O=C(NCCC1=CCCC1)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000574409039 567776612 /nfs/dbraw/zinc/77/66/12/567776612.db2.gz ZLCYMFWBRPQFRB-UHFFFAOYSA-N 1 2 395.301 3.303 10 0 GGAELO C[C@H](CNS(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F)Cn1cc[nH+]c1 ZINC000647277496 567777780 /nfs/dbraw/zinc/77/77/80/567777780.db2.gz LTUUWXDTMATKFN-SNVBAGLBSA-N 1 2 397.806 3.050 10 0 GGAELO COC(=O)c1cc(C[NH2+][C@H](C)c2ncc(Br)cn2)n2c1CCCC2 ZINC000598643412 567781188 /nfs/dbraw/zinc/78/11/88/567781188.db2.gz CCGZETYQUONEFM-LLVKDONJSA-N 1 2 393.285 3.014 10 0 GGAELO COC(=O)c1cc(C[NH2+][C@@H](C)c2ncc(Br)cn2)n2c1CCCC2 ZINC000598643419 567781235 /nfs/dbraw/zinc/78/12/35/567781235.db2.gz CCGZETYQUONEFM-NSHDSACASA-N 1 2 393.285 3.014 10 0 GGAELO COc1cc(Br)ccc1[C@@H]1CCCN1c1nc(C)[nH+]c(N(C)C)n1 ZINC000624529266 567785330 /nfs/dbraw/zinc/78/53/30/567785330.db2.gz MRBGEIVLIAZARE-AWEZNQCLSA-N 1 2 392.301 3.359 10 0 GGAELO COc1cc(Br)ccc1[C@@H]1CCCN1c1nc(N(C)C)nc(C)[nH+]1 ZINC000624529266 567785334 /nfs/dbraw/zinc/78/53/34/567785334.db2.gz MRBGEIVLIAZARE-AWEZNQCLSA-N 1 2 392.301 3.359 10 0 GGAELO Fc1cncc(Br)c1C[NH+]1CCC(c2nnc3n2CCCC3)CC1 ZINC000668004546 567788206 /nfs/dbraw/zinc/78/82/06/567788206.db2.gz YEFOSRGLOCORLS-UHFFFAOYSA-N 1 2 394.292 3.291 10 0 GGAELO O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)N[C@H]1CC[NH2+]C12CCCC2 ZINC000647475384 567788504 /nfs/dbraw/zinc/78/85/04/567788504.db2.gz KXKGJGMJFWYCMR-ZDUSSCGKSA-N 1 2 377.901 3.077 10 0 GGAELO Cc1cn2c([nH+]1)C[C@@H](C(=O)NCCc1cc(Br)ccc1F)CC2 ZINC000624645103 567793550 /nfs/dbraw/zinc/79/35/50/567793550.db2.gz AJJWOXRCSOCGRJ-ZDUSSCGKSA-N 1 2 380.261 3.014 10 0 GGAELO CCn1c2ccc(Br)cc2nc1C[NH2+]Cc1cn(C2CCC2)nn1 ZINC000668055409 567794522 /nfs/dbraw/zinc/79/45/22/567794522.db2.gz ANEQBXJDWSMDJQ-UHFFFAOYSA-N 1 2 389.301 3.425 10 0 GGAELO C[C@H]1C[C@H](c2ccc(Br)cc2)CN1c1nc2c(cnn2C)c(N)[nH+]1 ZINC000624679714 567795117 /nfs/dbraw/zinc/79/51/17/567795117.db2.gz CMMJHALVFBYTNR-JQWIXIFHSA-N 1 2 387.285 3.090 10 0 GGAELO Oc1c(Br)cc(C[NH+]2CC([C@H]3CCOC3)C2)cc1Br ZINC000668092256 567795976 /nfs/dbraw/zinc/79/59/76/567795976.db2.gz ABQPWHRBBSFTFH-JTQLQIEISA-N 1 2 391.103 3.386 10 0 GGAELO Clc1cc(Br)cnc1NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000624705031 567796165 /nfs/dbraw/zinc/79/61/65/567796165.db2.gz HRKRQTGJKYMYGU-CQSZACIVSA-N 1 2 397.704 3.205 10 0 GGAELO Clc1cc(Br)cnc1NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000624705031 567796171 /nfs/dbraw/zinc/79/61/71/567796171.db2.gz HRKRQTGJKYMYGU-CQSZACIVSA-N 1 2 397.704 3.205 10 0 GGAELO CC(C)Cn1cc[nH+]c1CNS(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000444196699 567796597 /nfs/dbraw/zinc/79/65/97/567796597.db2.gz WQSKBTBVRUUZRU-UHFFFAOYSA-N 1 2 379.379 3.176 10 0 GGAELO Cc1ccsc1S(=O)(=O)Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000444216040 567798311 /nfs/dbraw/zinc/79/83/11/567798311.db2.gz UPCMZBATCWIVSC-GASCZTMLSA-N 1 2 380.535 3.467 10 0 GGAELO Cc1ccsc1S(=O)(=O)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000444216040 567798315 /nfs/dbraw/zinc/79/83/15/567798315.db2.gz UPCMZBATCWIVSC-GASCZTMLSA-N 1 2 380.535 3.467 10 0 GGAELO Cc1nc(S(=O)(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)sc1C ZINC000534082174 567798534 /nfs/dbraw/zinc/79/85/34/567798534.db2.gz PHGXZBRSJIMORB-GJZGRUSLSA-N 1 2 385.942 3.137 10 0 GGAELO Cc1nc(S(=O)(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)sc1C ZINC000534082174 567798537 /nfs/dbraw/zinc/79/85/37/567798537.db2.gz PHGXZBRSJIMORB-GJZGRUSLSA-N 1 2 385.942 3.137 10 0 GGAELO Cc1noc([C@@H]2OCC[C@@H]2Nc2cc[nH+]c3c(Br)ccc(F)c23)n1 ZINC000624751896 567798546 /nfs/dbraw/zinc/79/85/46/567798546.db2.gz JRWHFNAOGYPDAS-SWLSCSKDSA-N 1 2 393.216 3.192 10 0 GGAELO c1sc(-c2ccc3c(c2)OCO3)nc1C[N@@H+]1CCO[C@@]2(CCSC2)C1 ZINC000574807834 567798683 /nfs/dbraw/zinc/79/86/83/567798683.db2.gz CBWZOJGTNFKEQH-SFHVURJKSA-N 1 2 376.503 3.247 10 0 GGAELO c1sc(-c2ccc3c(c2)OCO3)nc1C[N@H+]1CCO[C@@]2(CCSC2)C1 ZINC000574807834 567798684 /nfs/dbraw/zinc/79/86/84/567798684.db2.gz CBWZOJGTNFKEQH-SFHVURJKSA-N 1 2 376.503 3.247 10 0 GGAELO CCC(C)(C)NC(=O)C[N@H+](CCOC)Cc1cc(Br)cs1 ZINC000574819802 567799593 /nfs/dbraw/zinc/79/95/93/567799593.db2.gz LPFBSRWLZFEOLT-UHFFFAOYSA-N 1 2 377.348 3.264 10 0 GGAELO CCC(C)(C)NC(=O)C[N@@H+](CCOC)Cc1cc(Br)cs1 ZINC000574819802 567799595 /nfs/dbraw/zinc/79/95/95/567799595.db2.gz LPFBSRWLZFEOLT-UHFFFAOYSA-N 1 2 377.348 3.264 10 0 GGAELO Cc1nc(S(=O)(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)sc1C ZINC000534082175 567799733 /nfs/dbraw/zinc/79/97/33/567799733.db2.gz PHGXZBRSJIMORB-HUUCEWRRSA-N 1 2 385.942 3.137 10 0 GGAELO Cc1nc(S(=O)(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)sc1C ZINC000534082175 567799736 /nfs/dbraw/zinc/79/97/36/567799736.db2.gz PHGXZBRSJIMORB-HUUCEWRRSA-N 1 2 385.942 3.137 10 0 GGAELO O=C1[C@@H](Nc2cc[nH+]c3c(Br)ccc(F)c23)CCN1C1CCC1 ZINC000624784773 567799998 /nfs/dbraw/zinc/79/99/98/567799998.db2.gz OIJQCVZWZAEJHH-AWEZNQCLSA-N 1 2 378.245 3.124 10 0 GGAELO O=C(CSCc1ccc(Br)cc1F)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000598950012 567800260 /nfs/dbraw/zinc/80/02/60/567800260.db2.gz ZPQQVMXECYBPKW-CYBMUJFWSA-N 1 2 398.301 3.149 10 0 GGAELO Cc1c(Br)cncc1C[N@H+]1CCN(CC(F)(F)F)C[C@H](C)C1 ZINC000668224991 567801591 /nfs/dbraw/zinc/80/15/91/567801591.db2.gz BOKCJHWGELRWKQ-LLVKDONJSA-N 1 2 380.252 3.469 10 0 GGAELO Cc1c(Br)cncc1C[N@@H+]1CCN(CC(F)(F)F)C[C@H](C)C1 ZINC000668224991 567801593 /nfs/dbraw/zinc/80/15/93/567801593.db2.gz BOKCJHWGELRWKQ-LLVKDONJSA-N 1 2 380.252 3.469 10 0 GGAELO CCOC(=O)c1[nH]c(C)c(C[NH2+][C@@H](C)c2ncc(Br)cn2)c1C ZINC000598979432 567801878 /nfs/dbraw/zinc/80/18/78/567801878.db2.gz DPIAIPFNSBSUGB-NSHDSACASA-N 1 2 381.274 3.212 10 0 GGAELO Ic1cnc(N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)nc1 ZINC000574898155 567802853 /nfs/dbraw/zinc/80/28/53/567802853.db2.gz FVPMYWJMKVBVAS-JOCQHMNTSA-N 1 2 395.248 3.311 10 0 GGAELO C[C@H]([NH2+]CC(=O)N[C@@H]1CCCc2ccccc21)c1ncc(Br)cn1 ZINC000574894762 567802948 /nfs/dbraw/zinc/80/29/48/567802948.db2.gz DSSWMBHFEZEUSR-BLLLJJGKSA-N 1 2 389.297 3.084 10 0 GGAELO C[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(F)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534351156 567808526 /nfs/dbraw/zinc/80/85/26/567808526.db2.gz PDSSYUSESAEMDZ-DLBZAZTESA-N 1 2 386.851 3.342 10 0 GGAELO C[N@H+]1CC[C@H](NS(=O)(=O)c2ccc(F)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534351156 567808527 /nfs/dbraw/zinc/80/85/27/567808527.db2.gz PDSSYUSESAEMDZ-DLBZAZTESA-N 1 2 386.851 3.342 10 0 GGAELO C[N@@H+]1CC[C@H](NC(=O)CCn2cc(Cl)cn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534393726 567809666 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3.334 10 0 GGAELO CCc1cccc2cc(C[N@@H+]3C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C3)oc21 ZINC000668470962 567810420 /nfs/dbraw/zinc/81/04/20/567810420.db2.gz MKSVOEBNYKJOCM-GJZGRUSLSA-N 1 2 375.412 3.403 10 0 GGAELO CCc1cccc2cc(C[N@H+]3C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C3)oc21 ZINC000668470962 567810422 /nfs/dbraw/zinc/81/04/22/567810422.db2.gz MKSVOEBNYKJOCM-GJZGRUSLSA-N 1 2 375.412 3.403 10 0 GGAELO COCCC1C[NH+](Cc2cc(Br)c(O)c(Br)c2)C1 ZINC000668471612 567810492 /nfs/dbraw/zinc/81/04/92/567810492.db2.gz DWTBJTRLATYMON-UHFFFAOYSA-N 1 2 379.092 3.386 10 0 GGAELO Cc1cc(C(F)(F)F)ccc1C[N@@H+]1C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C1 ZINC000668468806 567811003 /nfs/dbraw/zinc/81/10/03/567811003.db2.gz BFQGLYFEFLBNGD-STQMWFEESA-N 1 2 389.361 3.421 10 0 GGAELO Cc1cc(C(F)(F)F)ccc1C[N@H+]1C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C1 ZINC000668468806 567811005 /nfs/dbraw/zinc/81/10/05/567811005.db2.gz BFQGLYFEFLBNGD-STQMWFEESA-N 1 2 389.361 3.421 10 0 GGAELO 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ZINC000648033652 567811514 /nfs/dbraw/zinc/81/15/14/567811514.db2.gz QPHYHARNRCNOIE-INIZCTEOSA-N 1 2 392.240 3.432 10 0 GGAELO COC(=O)c1c(C)c(C)sc1NC(=O)C[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000444713299 567811623 /nfs/dbraw/zinc/81/16/23/567811623.db2.gz GEHWYNYCPVNACI-NSHDSACASA-N 1 2 378.416 3.364 10 0 GGAELO COC(=O)c1c(C)c(C)sc1NC(=O)C[N@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000444713299 567811626 /nfs/dbraw/zinc/81/16/26/567811626.db2.gz GEHWYNYCPVNACI-NSHDSACASA-N 1 2 378.416 3.364 10 0 GGAELO O[C@@H]([C@@H]1CCC[N@H+](Cc2nc3cc(Br)ccc3[nH]2)C1)C(F)(F)F ZINC000444723604 567811858 /nfs/dbraw/zinc/81/18/58/567811858.db2.gz WNZODXROKUECNX-OTYXRUKQSA-N 1 2 392.219 3.461 10 0 GGAELO O[C@@H]([C@@H]1CCC[N@@H+](Cc2nc3cc(Br)ccc3[nH]2)C1)C(F)(F)F ZINC000444723604 567811862 /nfs/dbraw/zinc/81/18/62/567811862.db2.gz WNZODXROKUECNX-OTYXRUKQSA-N 1 2 392.219 3.461 10 0 GGAELO Cc1cc(Br)ccc1C[N@H+](C)CC(=O)NCC(=O)c1ccccc1 ZINC000444717792 567812102 /nfs/dbraw/zinc/81/21/02/567812102.db2.gz TUNMWGVNHZARRC-UHFFFAOYSA-N 1 2 389.293 3.188 10 0 GGAELO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)N[C@@H]2COc3c2ccc(Cl)c3Cl)C1 ZINC000534445276 567812117 /nfs/dbraw/zinc/81/21/17/567812117.db2.gz JAGGSIGDAYNZCS-ZWNOBZJWSA-N 1 2 381.263 3.360 10 0 GGAELO Cc1cc(Br)ccc1C[N@@H+](C)CC(=O)NCC(=O)c1ccccc1 ZINC000444717792 567812104 /nfs/dbraw/zinc/81/21/04/567812104.db2.gz TUNMWGVNHZARRC-UHFFFAOYSA-N 1 2 389.293 3.188 10 0 GGAELO COCC1(C2CCC2)C[NH+](Cc2cn(-c3ccccc3Br)nn2)C1 ZINC000668515535 567812556 /nfs/dbraw/zinc/81/25/56/567812556.db2.gz VZGVMGRNSNNBQO-UHFFFAOYSA-N 1 2 391.313 3.278 10 0 GGAELO Cn1ncc(Br)c1C[N@H+](Cc1ccccc1)[C@@H](CO)C1CCC1 ZINC000648053879 567812792 /nfs/dbraw/zinc/81/27/92/567812792.db2.gz DDIFVQFERQHNDP-SFHVURJKSA-N 1 2 378.314 3.346 10 0 GGAELO Cn1ncc(Br)c1C[N@@H+](Cc1ccccc1)[C@@H](CO)C1CCC1 ZINC000648053879 567812795 /nfs/dbraw/zinc/81/27/95/567812795.db2.gz DDIFVQFERQHNDP-SFHVURJKSA-N 1 2 378.314 3.346 10 0 GGAELO CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cccc(Br)c2F)C1 ZINC000648072911 567813032 /nfs/dbraw/zinc/81/30/32/567813032.db2.gz VPHYJISUHRQDFG-CYBMUJFWSA-N 1 2 383.183 3.089 10 0 GGAELO CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2cccc(Br)c2F)C1 ZINC000648072911 567813030 /nfs/dbraw/zinc/81/30/30/567813030.db2.gz VPHYJISUHRQDFG-CYBMUJFWSA-N 1 2 383.183 3.089 10 0 GGAELO C[C@@H]1C[N@@H+](Cc2cc(Br)cc(Br)c2N)C[C@H](C)[C@H]1O ZINC000668553970 567813497 /nfs/dbraw/zinc/81/34/97/567813497.db2.gz IUWDRPGNQAFOSG-QRJZZWFUSA-N 1 2 392.135 3.243 10 0 GGAELO C[C@@H]1C[N@H+](Cc2cc(Br)cc(Br)c2N)C[C@H](C)[C@H]1O ZINC000668553970 567813498 /nfs/dbraw/zinc/81/34/98/567813498.db2.gz IUWDRPGNQAFOSG-QRJZZWFUSA-N 1 2 392.135 3.243 10 0 GGAELO C[C@@H]1C[NH+](Cc2cc(Br)cc(Br)c2N)C[C@@H](C)C1O ZINC000668553972 567813542 /nfs/dbraw/zinc/81/35/42/567813542.db2.gz IUWDRPGNQAFOSG-RKDXNWHRSA-N 1 2 392.135 3.243 10 0 GGAELO Cc1cc(Br)cc(C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)c1C ZINC000668565060 567813933 /nfs/dbraw/zinc/81/39/33/567813933.db2.gz YFEDRVSKILEKBZ-QGZVFWFLSA-N 1 2 395.341 3.393 10 0 GGAELO C[C@@]12COC[C@H]1C[N@H+](Cc1c(Br)cncc1Br)C2 ZINC000668596923 567813997 /nfs/dbraw/zinc/81/39/97/567813997.db2.gz OGBGWHAXSNRPGZ-NOZJJQNGSA-N 1 2 376.092 3.075 10 0 GGAELO C[C@@]12COC[C@H]1C[N@@H+](Cc1c(Br)cncc1Br)C2 ZINC000668596923 567813999 /nfs/dbraw/zinc/81/39/99/567813999.db2.gz OGBGWHAXSNRPGZ-NOZJJQNGSA-N 1 2 376.092 3.075 10 0 GGAELO C[C@@]12COC[C@H]1C[N@H+](Cc1cc(Br)c(O)c(Br)c1)C2 ZINC000668597587 567814147 /nfs/dbraw/zinc/81/41/47/567814147.db2.gz UPVSUAYCWXSKEI-QMTHXVAHSA-N 1 2 391.103 3.386 10 0 GGAELO C[C@@]12COC[C@H]1C[N@@H+](Cc1cc(Br)c(O)c(Br)c1)C2 ZINC000668597587 567814150 /nfs/dbraw/zinc/81/41/50/567814150.db2.gz UPVSUAYCWXSKEI-QMTHXVAHSA-N 1 2 391.103 3.386 10 0 GGAELO O=C(C[N@H+]1CCC[C@@H]1c1ccc(I)cc1)NC1CCCC1 ZINC000534544981 567814202 /nfs/dbraw/zinc/81/42/02/567814202.db2.gz DZDYZSFKTQYDOP-MRXNPFEDSA-N 1 2 398.288 3.487 10 0 GGAELO O=C(C[N@@H+]1CCC[C@@H]1c1ccc(I)cc1)NC1CCCC1 ZINC000534544981 567814205 /nfs/dbraw/zinc/81/42/05/567814205.db2.gz DZDYZSFKTQYDOP-MRXNPFEDSA-N 1 2 398.288 3.487 10 0 GGAELO CCOc1cc(C[NH2+]Cc2nccc(OC)c2F)cc(Br)c1O ZINC000668587458 567814263 /nfs/dbraw/zinc/81/42/63/567814263.db2.gz NZLJIAWPBFAIRI-UHFFFAOYSA-N 1 2 385.233 3.386 10 0 GGAELO O=C(C[N@H+]1CCC[C@H]1c1ccc(I)cc1)NC1CCCC1 ZINC000534544980 567814353 /nfs/dbraw/zinc/81/43/53/567814353.db2.gz DZDYZSFKTQYDOP-INIZCTEOSA-N 1 2 398.288 3.487 10 0 GGAELO O=C(C[N@@H+]1CCC[C@H]1c1ccc(I)cc1)NC1CCCC1 ZINC000534544980 567814355 /nfs/dbraw/zinc/81/43/55/567814355.db2.gz DZDYZSFKTQYDOP-INIZCTEOSA-N 1 2 398.288 3.487 10 0 GGAELO C[C@]12COC[C@H]1C[N@H+](Cc1c(Br)cncc1Br)C2 ZINC000668596924 567814356 /nfs/dbraw/zinc/81/43/56/567814356.db2.gz OGBGWHAXSNRPGZ-RNCFNFMXSA-N 1 2 376.092 3.075 10 0 GGAELO C[C@]12COC[C@H]1C[N@@H+](Cc1c(Br)cncc1Br)C2 ZINC000668596924 567814358 /nfs/dbraw/zinc/81/43/58/567814358.db2.gz OGBGWHAXSNRPGZ-RNCFNFMXSA-N 1 2 376.092 3.075 10 0 GGAELO C[C@@H]1C[C@@H]1c1ccc(C[N@H+](C)Cc2ccc(S(=O)(=O)N3CCCC3)o2)o1 ZINC000047704462 570214509 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GGAELO Cc1nc(C[NH+]2CCCC2)sc1C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000049666677 570271596 /nfs/dbraw/zinc/27/15/96/570271596.db2.gz CSAYYIUSGJCSON-UHFFFAOYSA-N 1 2 384.549 3.005 10 0 GGAELO CC(C)(C)c1nc(C[NH+]2CCC3(C[C@@H]3c3nnc4n3CCCCC4)CC2)no1 ZINC000071890610 570275782 /nfs/dbraw/zinc/27/57/82/570275782.db2.gz UFAFTFNTSSFUKS-OAHLLOKOSA-N 1 2 384.528 3.455 10 0 GGAELO COc1cccc(CNC(=O)C2CCN(c3[nH]c4ccc(C)cc4[nH+]3)CC2)c1 ZINC000006160981 570279159 /nfs/dbraw/zinc/27/91/59/570279159.db2.gz BCZHUOJTIYZBHK-UHFFFAOYSA-N 1 2 378.476 3.413 10 0 GGAELO COc1cccc(CNC(=O)C2CCN(c3[nH]c4cc(C)ccc4[nH+]3)CC2)c1 ZINC000006160981 570279162 /nfs/dbraw/zinc/27/91/62/570279162.db2.gz BCZHUOJTIYZBHK-UHFFFAOYSA-N 1 2 378.476 3.413 10 0 GGAELO C[C@@H](CCc1ccccc1)NC(=O)c1ccc(SCC[NH+]2CCOCC2)nc1 ZINC000021663571 570294143 /nfs/dbraw/zinc/29/41/43/570294143.db2.gz HDFRRIPMJCXQRX-SFHVURJKSA-N 1 2 399.560 3.257 10 0 GGAELO Cc1ccc(NC(=O)c2coc(CN3CC[NH+](Cc4ccoc4)CC3)n2)cc1C ZINC000034678180 570294531 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570327931 /nfs/dbraw/zinc/32/79/31/570327931.db2.gz RCMJEUSVQNWVSC-IAGOWNOFSA-N 1 2 387.474 3.348 10 0 GGAELO C[C@H](C(=O)NC(C)(C)C)[NH+]1CCN(Cc2csc(-c3ccsc3)n2)CC1 ZINC000022811992 570329410 /nfs/dbraw/zinc/32/94/10/570329410.db2.gz CVGOSRDKDWNVGT-CQSZACIVSA-N 1 2 392.594 3.292 10 0 GGAELO COc1ccc(C[NH+]2CCN(CC(=O)c3cc(C)n(C4CC4)c3C)CC2)cc1 ZINC000022810192 570329535 /nfs/dbraw/zinc/32/95/35/570329535.db2.gz YLOGGXGEHLBSCS-UHFFFAOYSA-N 1 2 381.520 3.449 10 0 GGAELO O=C(CN1CC[NH+](Cc2ccc3c(c2)CCO3)CC1)c1c[nH]c2ccccc12 ZINC000022925440 570336149 /nfs/dbraw/zinc/33/61/49/570336149.db2.gz VICPQSQIWPVAQR-UHFFFAOYSA-N 1 2 375.472 3.103 10 0 GGAELO CCCn1c2ccccc2[nH+]c1N1CCC(C(=O)NCCc2ccccn2)CC1 ZINC000034906607 570339103 /nfs/dbraw/zinc/33/91/03/570339103.db2.gz OLHJBSXMMUROHS-UHFFFAOYSA-N 1 2 391.519 3.417 10 0 GGAELO CCCn1c2ccccc2[nH+]c1N1CCC[C@@H](C(=O)NCc2ccncc2)C1 ZINC000034906649 570339454 /nfs/dbraw/zinc/33/94/54/570339454.db2.gz QDOWZCQNRBDAKQ-GOSISDBHSA-N 1 2 377.492 3.374 10 0 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1 2 376.819 3.260 10 0 GGAELO C[C@@H](O)CNc1[nH+]c2ccccc2n1CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000006589390 570486258 /nfs/dbraw/zinc/48/62/58/570486258.db2.gz MVAHUHDSLCWJRQ-LLVKDONJSA-N 1 2 376.819 3.260 10 0 GGAELO O=C(Cc1csc(-c2ccccn2)n1)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000030218472 570487108 /nfs/dbraw/zinc/48/71/08/570487108.db2.gz LVSZBMXUDXREDJ-UHFFFAOYSA-N 1 2 389.484 3.309 10 0 GGAELO Cc1cnc(C(=O)N2CC[NH+](Cc3ccc(-c4ccccc4)s3)CC2)cn1 ZINC000030450470 570489531 /nfs/dbraw/zinc/48/95/31/570489531.db2.gz YOMMAJRLSCXQGN-UHFFFAOYSA-N 1 2 378.501 3.472 10 0 GGAELO CC(C)[C@H]1[NH2+]C2(CCN(C(=O)c3ccc(Cl)cc3)CC2)N(CC2CC2)C1=O ZINC000036020111 570513394 /nfs/dbraw/zinc/51/33/94/570513394.db2.gz KZTHFFLMRZNTSI-GOSISDBHSA-N 1 2 389.927 3.139 10 0 GGAELO CC(C)[C@@H]1[NH2+]C2(CCN(C(=O)c3ccc(Cl)cc3)CC2)N(CC2CC2)C1=O ZINC000036020112 570513503 /nfs/dbraw/zinc/51/35/03/570513503.db2.gz KZTHFFLMRZNTSI-SFHVURJKSA-N 1 2 389.927 3.139 10 0 GGAELO CC[C@@H](C)[C@@H]1[NH2+]C2(CCN(C(=S)Nc3ccc(F)cc3)CC2)N(CC)C1=O ZINC000036028974 570513958 /nfs/dbraw/zinc/51/39/58/570513958.db2.gz FSFLFGOINFABSA-PBHICJAKSA-N 1 2 392.544 3.181 10 0 GGAELO O=C(c1scnc1C1CCCC1)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000183547343 570517928 /nfs/dbraw/zinc/51/79/28/570517928.db2.gz PJDNCHUXRTXICO-SFHVURJKSA-N 1 2 385.533 3.292 10 0 GGAELO Cc1ccc(S(=O)(=O)CCC(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000005267927 570534660 /nfs/dbraw/zinc/53/46/60/570534660.db2.gz VZYQFHRTNOZUQX-QGZVFWFLSA-N 1 2 397.500 3.222 10 0 GGAELO Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000034797414 570544316 /nfs/dbraw/zinc/54/43/16/570544316.db2.gz PBBNWBWMHICPRO-CABCVRRESA-N 1 2 385.430 3.021 10 0 GGAELO Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000034797414 570544320 /nfs/dbraw/zinc/54/43/20/570544320.db2.gz PBBNWBWMHICPRO-CABCVRRESA-N 1 2 385.430 3.021 10 0 GGAELO CC[C@@H](O)C[N@H+](Cc1ccco1)Cc1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000036156618 570553877 /nfs/dbraw/zinc/55/38/77/570553877.db2.gz QJUZVMZMCSZFNL-CYBMUJFWSA-N 1 2 387.505 3.230 10 0 GGAELO CC[C@@H](O)C[N@@H+](Cc1ccco1)Cc1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000036156618 570553880 /nfs/dbraw/zinc/55/38/80/570553880.db2.gz QJUZVMZMCSZFNL-CYBMUJFWSA-N 1 2 387.505 3.230 10 0 GGAELO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)[C@H]2C[C@@H]2c2ccccc2F)CC1 ZINC000225444944 570574928 /nfs/dbraw/zinc/57/49/28/570574928.db2.gz DIMRFBKHFQAQGP-UXHICEINSA-N 1 2 395.478 3.232 10 0 GGAELO Cc1c(C(=O)OCCSCc2cc[nH+]c(N)c2)cnn1-c1ccccc1F ZINC000225499956 570580976 /nfs/dbraw/zinc/58/09/76/570580976.db2.gz FTIZCTNPRNXSFX-UHFFFAOYSA-N 1 2 386.452 3.387 10 0 GGAELO CC(C)C(=O)N1CC[NH+]([C@H](C(=O)N[C@@H](C)c2ccccc2)C2CCCC2)CC1 ZINC000036252228 570587145 /nfs/dbraw/zinc/58/71/45/570587145.db2.gz ZIGNLAJLTRTZOT-RXVVDRJESA-N 1 2 385.552 3.223 10 0 GGAELO CCC(=O)N1CC[NH+]([C@@H](C(=O)N[C@H]2CCCc3ccccc32)C2CCCC2)CC1 ZINC000036252420 570587160 /nfs/dbraw/zinc/58/71/60/570587160.db2.gz BPTDQIAPGYWPKB-JTHBVZDNSA-N 1 2 397.563 3.293 10 0 GGAELO CC[C@@H](C)CNC(=O)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC000036254293 570588022 /nfs/dbraw/zinc/58/80/22/570588022.db2.gz HIQMCZMORWNRJH-XMSQKQJNSA-N 1 2 399.579 3.474 10 0 GGAELO CC[C@H](C)CNC(=O)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)c2ccccc2)CC1 ZINC000036254285 570588030 /nfs/dbraw/zinc/58/80/30/570588030.db2.gz SLIUDZNKLSXYLH-GHTZIAJQSA-N 1 2 385.552 3.166 10 0 GGAELO Cc1ccc(C(=O)N2CC[NH+]([C@H](C(=O)NCCC(C)C)C3CCCC3)CC2)cc1 ZINC000036254574 570588153 /nfs/dbraw/zinc/58/81/53/570588153.db2.gz RALLQZSXXGZYRH-QFIPXVFZSA-N 1 2 399.579 3.474 10 0 GGAELO CNC(=O)[C@H](C1CCCC1)[NH+]1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000036256660 570588615 /nfs/dbraw/zinc/58/86/15/570588615.db2.gz DMRNBLFILLVXCR-KRWDZBQOSA-N 1 2 398.334 3.056 10 0 GGAELO Cc1csc([C@@H]2CN([C@@H](C)C(=O)Nc3ccc(-c4c[nH]c[nH+]4)cc3)CCO2)n1 ZINC000225614095 570594365 /nfs/dbraw/zinc/59/43/65/570594365.db2.gz RNURNMNFOZTISY-KSSFIOAISA-N 1 2 397.504 3.242 10 0 GGAELO Cc1csc([C@@H]2CN([C@H](C)C(=O)Nc3ccc(-c4c[nH]c[nH+]4)cc3)CCO2)n1 ZINC000225614132 570594373 /nfs/dbraw/zinc/59/43/73/570594373.db2.gz RNURNMNFOZTISY-KDOFPFPSSA-N 1 2 397.504 3.242 10 0 GGAELO Cc1ccc(-c2c(=O)c(=O)c2Nc2ccccc2N2CC[NH+](C)CC2)cc1C ZINC000006791759 570597058 /nfs/dbraw/zinc/59/70/58/570597058.db2.gz LZVJYUPOPDTOTI-UHFFFAOYSA-N 1 2 375.472 3.062 10 0 GGAELO O=C(Nc1cccc(Cl)c1)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)C2CC2)CC1 ZINC000036311593 570611045 /nfs/dbraw/zinc/61/10/45/570611045.db2.gz DNOPPVLFGGKYCW-LJQANCHMSA-N 1 2 389.927 3.392 10 0 GGAELO CCC(=O)N1CC[NH+]([C@H](C(=O)Nc2cccc(Cl)c2)C2CCCC2)CC1 ZINC000036311589 570611119 /nfs/dbraw/zinc/61/11/19/570611119.db2.gz FIOKQYDYYLTWDI-IBGZPJMESA-N 1 2 377.916 3.392 10 0 GGAELO CC1=C(C(=O)N2CCOCC2)[C@@H](c2ccccc2F)n2c3ccccc3[nH+]c2N1 ZINC000004597478 570629194 /nfs/dbraw/zinc/62/91/94/570629194.db2.gz WPJHOHPLNQHSTK-HXUWFJFHSA-N 1 2 392.434 3.323 10 0 GGAELO C[C@@]1(C2CC2)NC(=O)N(C[N@@H+]2CCc3sccc3[C@H]2c2ccccc2)C1=O ZINC000036391741 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399.235 3.331 10 0 GGAELO C[N@H+](CC(=O)Nc1cc(F)cc(F)c1)C[C@@H](O)c1ccc(Br)cc1 ZINC000103481774 1410862521 /nfs/dbraw/zinc/86/25/21/1410862521.db2.gz CFUNYXBOJGMRAM-MRXNPFEDSA-N 1 2 399.235 3.331 10 0 GGAELO Cc1ccc2nc(C3CC3)cc(C(=O)N3CCC[C@@H]3C[NH+]3CCOCC3)c2c1 ZINC000176920237 1428520652 /nfs/dbraw/zinc/52/06/52/1428520652.db2.gz AAVNZGJKPYKZOS-GOSISDBHSA-N 1 2 379.504 3.357 10 0 GGAELO COC(=O)c1ccc(C[NH+]2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1F ZINC000176943075 1428527254 /nfs/dbraw/zinc/52/72/54/1428527254.db2.gz FZILIGDAQVOOKC-UHFFFAOYSA-N 1 2 397.372 3.348 10 0 GGAELO COC(=O)c1ccc(C[NH+]2CCN(c3ccc(C(F)(F)F)cn3)CC2)s1 ZINC000176947089 1428527866 /nfs/dbraw/zinc/52/78/66/1428527866.db2.gz JRDRYJJVVJQLDL-UHFFFAOYSA-N 1 2 385.411 3.271 10 0 GGAELO CCOc1ccc(C[NH+]2CCN(C(=O)c3ccc(-c4ncon4)cc3)CC2)cc1 ZINC000107210457 1411352013 /nfs/dbraw/zinc/35/20/13/1411352013.db2.gz OSVJNYWSRGXVIK-UHFFFAOYSA-N 1 2 392.459 3.093 10 0 GGAELO C[C@H](c1ccccc1)N(C)C(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000111896327 1412045774 /nfs/dbraw/zinc/04/57/74/1412045774.db2.gz FVEXYYLNUJGQBU-DENIHFKCSA-N 1 2 381.520 3.333 10 0 GGAELO CCc1nn(C)c(OC)c1C[NH2+]Cc1cc(OC)c(OC)cc1Br ZINC000119952360 1413630152 /nfs/dbraw/zinc/63/01/52/1413630152.db2.gz ANDYMQVURACSNH-UHFFFAOYSA-N 1 2 398.301 3.061 10 0 GGAELO O=C1c2cc(-c3ccccc3)ccc2N(CN2CC[C@@H](Oc3cc[nH+]cc3)C2)C1=O ZINC000121039554 1413985812 /nfs/dbraw/zinc/98/58/12/1413985812.db2.gz CCEILBSXPIECIC-HXUWFJFHSA-N 1 2 399.450 3.389 10 0 GGAELO COc1ccc(Cl)cc1C[NH2+][C@@H](c1nc(-c2nc[nH]n2)no1)C(C)(C)C ZINC000121103756 1414009097 /nfs/dbraw/zinc/00/90/97/1414009097.db2.gz CNKFICWMJPHGSR-ZDUSSCGKSA-N 1 2 376.848 3.394 10 0 GGAELO C[C@@H]1CCN(CN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)C[C@@H]1n1cc[nH+]c1 ZINC000121547566 1414172131 /nfs/dbraw/zinc/17/21/31/1414172131.db2.gz CTPWIBGVDSMDPH-BZNIZROVSA-N 1 2 393.274 3.327 10 0 GGAELO COc1ccc(-c2nn(CN3CC[C@H](C)[C@@H](n4cc[nH+]c4)C3)c(=S)n2C)cc1 ZINC000121596751 1414193306 /nfs/dbraw/zinc/19/33/06/1414193306.db2.gz HSPVSIDVHDPRCB-YJBOKZPZSA-N 1 2 398.536 3.364 10 0 GGAELO C[C@@H]1CCN(C(=O)Nc2cc3c(cc2Cl)OCCO3)C[C@H]1n1cc[nH+]c1 ZINC000177581293 1428802535 /nfs/dbraw/zinc/80/25/35/1428802535.db2.gz IDAVLXYOHDSVNH-IUODEOHRSA-N 1 2 376.844 3.423 10 0 GGAELO CN(CC1CCOCC1)C(=O)[C@@H](c1cccc(Br)c1)[NH+]1CCCC1 ZINC000122242306 1414398932 /nfs/dbraw/zinc/39/89/32/1414398932.db2.gz CRWPQNOGXJVYEU-GOSISDBHSA-N 1 2 395.341 3.471 10 0 GGAELO COc1ccc(-c2nc(C[NH+]3CCC(OC[C@H]4CCCCO4)CC3)no2)cc1 ZINC000177615909 1428811774 /nfs/dbraw/zinc/81/17/74/1428811774.db2.gz IFKPFGCNCCGSHY-LJQANCHMSA-N 1 2 387.480 3.295 10 0 GGAELO COC(=O)c1cc(Cl)cc(NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000177622699 1428814022 /nfs/dbraw/zinc/81/40/22/1428814022.db2.gz COKQGXCPVOUOGO-LRDDRELGSA-N 1 2 376.844 3.438 10 0 GGAELO COC(=O)c1cc(Cl)cc(NC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000177622716 1428814149 /nfs/dbraw/zinc/81/41/49/1428814149.db2.gz COKQGXCPVOUOGO-MLGOLLRUSA-N 1 2 376.844 3.438 10 0 GGAELO CN1C(=O)C[C@H](C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)[C@H]1c1ccc(F)cc1 ZINC000122776798 1414561987 /nfs/dbraw/zinc/56/19/87/1414561987.db2.gz ABEICQQLGMLVRI-PKOBYXMFSA-N 1 2 378.407 3.374 10 0 GGAELO COCCOc1ccc(Cl)cc1C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000123144146 1414653169 /nfs/dbraw/zinc/65/31/69/1414653169.db2.gz ADIKTCLYWQESJW-PBHICJAKSA-N 1 2 377.872 3.285 10 0 GGAELO C[C@H]1CCN(C(=O)c2nn(-c3ccccc3)c3c2CCC3)C[C@@H]1n1cc[nH+]c1 ZINC000123446094 1414733788 /nfs/dbraw/zinc/73/37/88/1414733788.db2.gz BPTWEIPRHMSUMU-JXFKEZNVSA-N 1 2 375.476 3.281 10 0 GGAELO CCCCOc1cccc(NC(=O)C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000177707779 1428838904 /nfs/dbraw/zinc/83/89/04/1428838904.db2.gz GKAOMRHTHKUVCJ-QFBILLFUSA-N 1 2 384.480 3.110 10 0 GGAELO C[C@H]1CCN(C(=O)C(=O)Nc2ccccc2OC2CCCC2)C[C@H]1n1cc[nH+]c1 ZINC000177708742 1428839416 /nfs/dbraw/zinc/83/94/16/1428839416.db2.gz GMLDJFAQQKYGBC-QFBILLFUSA-N 1 2 396.491 3.253 10 0 GGAELO C[C@H]1CCN(C(=O)C2(CNC(=O)OC(C)(C)C)CCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000124041828 1414874979 /nfs/dbraw/zinc/87/49/79/1414874979.db2.gz BMXNIDYQQGCYRL-IRXDYDNUSA-N 1 2 390.528 3.378 10 0 GGAELO CC[NH+](CC)Cc1nc(C2(NCc3ccc(OC)c(OC)c3)CCCC2)no1 ZINC000124061692 1414878060 /nfs/dbraw/zinc/87/80/60/1414878060.db2.gz GHXVJKQRVYIKSE-UHFFFAOYSA-N 1 2 388.512 3.488 10 0 GGAELO CCc1ncsc1C(=O)NC1(c2noc(C[NH+](CC)CC)n2)CCCC1 ZINC000124066636 1414879330 /nfs/dbraw/zinc/87/93/30/1414879330.db2.gz BGEVLQYICTZBHB-UHFFFAOYSA-N 1 2 377.514 3.130 10 0 GGAELO CC[NH+](CC)Cc1nc(C2(NC(=O)c3cc(Cl)ccn3)CCCC2)no1 ZINC000124242493 1414918174 /nfs/dbraw/zinc/91/81/74/1414918174.db2.gz FQAKHZUHJSJEEA-UHFFFAOYSA-N 1 2 377.876 3.159 10 0 GGAELO Cc1cc([C@H]2CN(C(=O)NCc3cc[nH+]c(N4CCCC4)c3)CCO2)ccc1F ZINC000124429754 1414965987 /nfs/dbraw/zinc/96/59/87/1414965987.db2.gz NDYYWHXDGVTFHK-HXUWFJFHSA-N 1 2 398.482 3.412 10 0 GGAELO Cc1nn(C)c2nc(C3CC3)cc(C(=O)N3CC[C@@H](C)[C@H](n4cc[nH+]c4)C3)c12 ZINC000124794006 1415045405 /nfs/dbraw/zinc/04/54/05/1415045405.db2.gz BBNBHLLLRYLGFP-FZKQIMNGSA-N 1 2 378.480 3.074 10 0 GGAELO CCn1c(CCNC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)nc2ccccc21 ZINC000177802467 1428861494 /nfs/dbraw/zinc/86/14/94/1428861494.db2.gz CJKILJMWSNORHP-QFBILLFUSA-N 1 2 380.496 3.088 10 0 GGAELO C[C@H]1CCN(C(=O)c2ccc(CNC(=O)C(C)(C)C)cc2)C[C@H]1n1cc[nH+]c1 ZINC000125459262 1415205556 /nfs/dbraw/zinc/20/55/56/1415205556.db2.gz BHJNHZQCOVLFOF-QFBILLFUSA-N 1 2 382.508 3.269 10 0 GGAELO COc1ccc(C)cc1-n1ccc(C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)n1 ZINC000125561704 1415226852 /nfs/dbraw/zinc/22/68/52/1415226852.db2.gz ALTSBOQJYXZPPA-LPHOPBHVSA-N 1 2 379.464 3.109 10 0 GGAELO CC(=O)CCc1ccc(OCCC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000125567121 1415228059 /nfs/dbraw/zinc/22/80/59/1415228059.db2.gz BMBMUXILIBVAFS-LAUBAEHRSA-N 1 2 383.492 3.283 10 0 GGAELO Cc1ccc(C(=O)N2CCC[C@@H](C(=O)N3CC[C@@H](C)[C@H](n4cc[nH+]c4)C3)C2)cc1 ZINC000125585969 1415232317 /nfs/dbraw/zinc/23/23/17/1415232317.db2.gz HSVBZPKTQUEJRK-HMXCVIKNSA-N 1 2 394.519 3.153 10 0 GGAELO C[C@H]1CCN(C(=O)CCC(=O)CCC(=O)c2cccs2)C[C@H]1n1cc[nH+]c1 ZINC000125619999 1415239559 /nfs/dbraw/zinc/23/95/59/1415239559.db2.gz DEKPPQQJIUDSNF-DOTOQJQBSA-N 1 2 387.505 3.367 10 0 GGAELO COc1cc(OC)c(OC)cc1/C=C/C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000126340283 1415421704 /nfs/dbraw/zinc/42/17/04/1415421704.db2.gz CMKLMHUOCZSPKX-AMFYOEQGSA-N 1 2 385.464 3.032 10 0 GGAELO O=C(Cc1ccc(N2CCCC2=O)cc1)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000126748250 1415546437 /nfs/dbraw/zinc/54/64/37/1415546437.db2.gz RQCXORYTTMXRNI-UHFFFAOYSA-N 1 2 392.503 3.058 10 0 GGAELO Fc1cccc(Cl)c1C[NH2+]Cc1ccccc1OCCN1CCOCC1 ZINC000126756582 1415549767 /nfs/dbraw/zinc/54/97/67/1415549767.db2.gz FCHDSYUAVSSWSI-UHFFFAOYSA-N 1 2 378.875 3.480 10 0 GGAELO O=C(c1cccc(NCc2ccc(-n3cc[nH+]c3)cc2)c1)N1CCC[C@H](O)C1 ZINC000127018971 1415639012 /nfs/dbraw/zinc/63/90/12/1415639012.db2.gz HUMDLEFYQKOLDM-NRFANRHFSA-N 1 2 376.460 3.081 10 0 GGAELO C[C@@H]1CCN(C(=O)Nc2cccc(-c3nnc4n3CCC4)c2)C[C@H]1n1cc[nH+]c1 ZINC000127867278 1415866271 /nfs/dbraw/zinc/86/62/71/1415866271.db2.gz BCQLUCCWLGQVGQ-CRAIPNDOSA-N 1 2 391.479 3.203 10 0 GGAELO CC[NH+](CC)Cc1nc(C2(NC(=O)[C@@H](C)Oc3ccccc3)CCCC2)no1 ZINC000128281099 1415953749 /nfs/dbraw/zinc/95/37/49/1415953749.db2.gz AOFCEXMEFVXXRG-MRXNPFEDSA-N 1 2 386.496 3.264 10 0 GGAELO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N(C)C[C@@H]2CCCCO2)C[C@@H](C)O1 ZINC000128431813 1415985852 /nfs/dbraw/zinc/98/58/52/1415985852.db2.gz BKMNPSQERLZUHB-LMMKCTJWSA-N 1 2 375.513 3.329 10 0 GGAELO C[C@H]1CCN(C(=O)[C@@H]2CCCN2C(=O)OCc2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000128482606 1415997432 /nfs/dbraw/zinc/99/74/32/1415997432.db2.gz GHHKACCVYHOIMF-YSIASYRMSA-N 1 2 396.491 3.094 10 0 GGAELO C[C@@H]1CCN(C(=O)Nc2ccc(CN3CCCC3=O)cc2)C[C@H]1n1cc[nH+]c1 ZINC000128597640 1416021854 /nfs/dbraw/zinc/02/18/54/1416021854.db2.gz CZWYUQHISJYSKJ-VQIMIIECSA-N 1 2 381.480 3.121 10 0 GGAELO C[C@@H](NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1cnn(Cc2ccccc2)c1 ZINC000128765960 1416063262 /nfs/dbraw/zinc/06/32/62/1416063262.db2.gz ARJODYGSVDMULL-DYESRHJHSA-N 1 2 391.475 3.250 10 0 GGAELO COc1cc(C[NH2+][C@@H](c2nc(-c3nc[nH]n3)no2)C(C)C)cc(Cl)c1OC ZINC000129191623 1416167221 /nfs/dbraw/zinc/16/72/21/1416167221.db2.gz FTVFNHOWRNIRSS-CYBMUJFWSA-N 1 2 392.847 3.012 10 0 GGAELO CCOc1ccc(C(=O)N(C)C)cc1NC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000131411211 1416553237 /nfs/dbraw/zinc/55/32/37/1416553237.db2.gz FJVKOFLRGZDNTH-MAUKXSAKSA-N 1 2 399.495 3.099 10 0 GGAELO C[C@H](CNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1nc(-c2ccccc2)no1 ZINC000134591353 1417093449 /nfs/dbraw/zinc/09/34/49/1417093449.db2.gz CTPSMUIVLNZGCD-CRAIPNDOSA-N 1 2 393.447 3.098 10 0 GGAELO CC[NH+](CC)Cc1nc(C2(NC(=O)c3ccc(Cl)cn3)CCCC2)no1 ZINC000134679900 1417112092 /nfs/dbraw/zinc/11/20/92/1417112092.db2.gz BWXDHTJBFVTVSK-UHFFFAOYSA-N 1 2 377.876 3.159 10 0 GGAELO C[C@@H](NC(=O)[C@H](C)[N@@H+]1CCOC2(CCOCC2)C1)c1cccc2ccccc21 ZINC000135649204 1417253084 /nfs/dbraw/zinc/25/30/84/1417253084.db2.gz GGSBHJZDBFJLNQ-MSOLQXFVSA-N 1 2 382.504 3.287 10 0 GGAELO C[C@@H](NC(=O)[C@H](C)[N@H+]1CCOC2(CCOCC2)C1)c1cccc2ccccc21 ZINC000135649204 1417253094 /nfs/dbraw/zinc/25/30/94/1417253094.db2.gz GGSBHJZDBFJLNQ-MSOLQXFVSA-N 1 2 382.504 3.287 10 0 GGAELO C[C@@H](NC(=O)[C@@H](C)[N@@H+]1CCOC2(CCOCC2)C1)c1cccc2ccccc21 ZINC000135649140 1417253238 /nfs/dbraw/zinc/25/32/38/1417253238.db2.gz GGSBHJZDBFJLNQ-QZTJIDSGSA-N 1 2 382.504 3.287 10 0 GGAELO C[C@@H](NC(=O)[C@@H](C)[N@H+]1CCOC2(CCOCC2)C1)c1cccc2ccccc21 ZINC000135649140 1417253245 /nfs/dbraw/zinc/25/32/45/1417253245.db2.gz GGSBHJZDBFJLNQ-QZTJIDSGSA-N 1 2 382.504 3.287 10 0 GGAELO C[C@H](NC(=O)[C@H](C)[N@@H+]1CCOC2(CCOCC2)C1)c1cccc2ccccc21 ZINC000135649172 1417253289 /nfs/dbraw/zinc/25/32/89/1417253289.db2.gz GGSBHJZDBFJLNQ-ROUUACIJSA-N 1 2 382.504 3.287 10 0 GGAELO C[C@H](NC(=O)[C@H](C)[N@H+]1CCOC2(CCOCC2)C1)c1cccc2ccccc21 ZINC000135649172 1417253298 /nfs/dbraw/zinc/25/32/98/1417253298.db2.gz GGSBHJZDBFJLNQ-ROUUACIJSA-N 1 2 382.504 3.287 10 0 GGAELO O=S(=O)(c1ccc(F)c(C(F)(F)F)c1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000151131202 1417878699 /nfs/dbraw/zinc/87/86/99/1417878699.db2.gz FJEXZJQGTRIICB-GFCCVEGCSA-N 1 2 390.358 3.082 10 0 GGAELO C[C@H]1CCN(S(=O)(=O)c2ccc(OC3CCCC3)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000151277245 1417912496 /nfs/dbraw/zinc/91/24/96/1417912496.db2.gz CCQONSBVASLFIU-JXFKEZNVSA-N 1 2 389.521 3.476 10 0 GGAELO C[C@@H]1CCN(S(=O)(=O)c2ccc(OC3CCCC3)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000151277177 1417912586 /nfs/dbraw/zinc/91/25/86/1417912586.db2.gz CCQONSBVASLFIU-UZLBHIALSA-N 1 2 389.521 3.476 10 0 GGAELO C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(SC(F)F)c2)C[C@H]1n1cc[nH+]c1 ZINC000151402494 1417950526 /nfs/dbraw/zinc/95/05/26/1417950526.db2.gz FSNFVZGTPJHHFQ-IUODEOHRSA-N 1 2 394.447 3.246 10 0 GGAELO Cc1ccc(NC(=O)C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1C(F)(F)F ZINC000151409657 1417954730 /nfs/dbraw/zinc/95/47/30/1417954730.db2.gz CXJQBYVBTPMTLG-CJNGLKHVSA-N 1 2 394.397 3.259 10 0 GGAELO CCCOc1cc(C)ccc1NC(=O)C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000151476982 1417991398 /nfs/dbraw/zinc/99/13/98/1417991398.db2.gz HFQGKUHZAXGHFS-FUHWJXTLSA-N 1 2 384.480 3.029 10 0 GGAELO Cc1nc2ccccc2n1CCCNC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000151728121 1418072725 /nfs/dbraw/zinc/07/27/25/1418072725.db2.gz GBZTWCHDTPTGSU-JXFKEZNVSA-N 1 2 380.496 3.224 10 0 GGAELO C[C@H]1CCN(C(=O)NCc2cccc(NC(=O)C3CCC3)c2)C[C@@H]1n1cc[nH+]c1 ZINC000152029635 1418125240 /nfs/dbraw/zinc/12/52/40/1418125240.db2.gz HBTNJHJWISLQMX-JXFKEZNVSA-N 1 2 395.507 3.414 10 0 GGAELO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2cccc(Nc3nn[nH]n3)c2)CC1 ZINC000901087337 1429335111 /nfs/dbraw/zinc/33/51/11/1429335111.db2.gz FBOZLYLDHKEDPV-INIZCTEOSA-N 1 2 397.527 3.060 10 0 GGAELO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2cccc(Nc3nn[nH]n3)c2)CC1 ZINC000901087337 1429335113 /nfs/dbraw/zinc/33/51/13/1429335113.db2.gz FBOZLYLDHKEDPV-INIZCTEOSA-N 1 2 397.527 3.060 10 0 GGAELO Fc1ccc(-n2cc(C[NH+]3CCN(c4nc5ccccc5o4)CC3)cn2)cc1 ZINC000179502602 1429398782 /nfs/dbraw/zinc/39/87/82/1429398782.db2.gz MVWFOVSQTKREQC-UHFFFAOYSA-N 1 2 377.423 3.475 10 0 GGAELO COc1cc(OC)c(C[NH+]2CCN(c3nc4ccccc4o3)CC2)c(OC)c1 ZINC000179502044 1429399097 /nfs/dbraw/zinc/39/90/97/1429399097.db2.gz BIKYOARYSCLOCY-UHFFFAOYSA-N 1 2 383.448 3.176 10 0 GGAELO Oc1c(Br)cc(Br)cc1CN1CC[NH+](C2CC2)CC1 ZINC000179670514 1429500038 /nfs/dbraw/zinc/50/00/38/1429500038.db2.gz GNVPESUDMYGEFR-UHFFFAOYSA-N 1 2 390.119 3.197 10 0 GGAELO C[C@@H]1CCN(C(=O)NCCNc2ncc(Cl)cc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000152311847 1422069515 /nfs/dbraw/zinc/06/95/15/1422069515.db2.gz FXXLFGVOVGMEPG-DOMZBBRYSA-N 1 2 397.310 3.290 10 0 GGAELO O=C(C[N@@H+]1CCC[C@@H](c2nncn2C2CC2)C1)Nc1ccccc1C(F)(F)F ZINC000152399666 1422093124 /nfs/dbraw/zinc/09/31/24/1422093124.db2.gz KTTJWNNFFQZRNC-CYBMUJFWSA-N 1 2 393.413 3.450 10 0 GGAELO O=C(C[N@H+]1CCC[C@@H](c2nncn2C2CC2)C1)Nc1ccccc1C(F)(F)F ZINC000152399666 1422093133 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1 2 386.456 3.139 10 0 GGAELO C[C@H](NC(=O)[C@H](C)O[NH+]=C(N)c1ccc2c(c1)CCO2)c1ccc(Cl)cc1 ZINC000158160698 1424182840 /nfs/dbraw/zinc/18/28/40/1424182840.db2.gz AKTNZPHZPXCFIB-STQMWFEESA-N 1 2 387.867 3.178 10 0 GGAELO Cc1ccc(CNCc2ccnc(N3CC[NH+](C)CC3)c2)c(Br)c1 ZINC000160012791 1424562779 /nfs/dbraw/zinc/56/27/79/1424562779.db2.gz CXZUGHKULNMLNJ-UHFFFAOYSA-N 1 2 389.341 3.194 10 0 GGAELO CCCN(CCNC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)C(=O)OC(C)(C)C ZINC000160886774 1424641400 /nfs/dbraw/zinc/64/14/00/1424641400.db2.gz HPZUEISQBHVWTA-IRXDYDNUSA-N 1 2 393.532 3.123 10 0 GGAELO Brc1ccc2[nH]c(C[N@@H+]3CCCN(c4ccccn4)CC3)nc2c1 ZINC000162882552 1424899212 /nfs/dbraw/zinc/89/92/12/1424899212.db2.gz LNPBUVBIFIWMBC-UHFFFAOYSA-N 1 2 386.297 3.433 10 0 GGAELO Brc1ccc2[nH]c(C[N@H+]3CCCN(c4ccccn4)CC3)nc2c1 ZINC000162882552 1424899214 /nfs/dbraw/zinc/89/92/14/1424899214.db2.gz LNPBUVBIFIWMBC-UHFFFAOYSA-N 1 2 386.297 3.433 10 0 GGAELO COc1ccccc1C[NH+]1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)CC1 ZINC000163537562 1425013499 /nfs/dbraw/zinc/01/34/99/1425013499.db2.gz HKHVQGAAZDVZLJ-QZTJIDSGSA-N 1 2 386.442 3.421 10 0 GGAELO O=C(NCc1nc(-c2ccccc2)cs1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000164042786 1425071262 /nfs/dbraw/zinc/07/12/62/1425071262.db2.gz BRIKWWOTRBWEHV-INIZCTEOSA-N 1 2 379.489 3.283 10 0 GGAELO COc1ccc(OC)c(NC(=O)[C@@H]2OCC[N@H+](C3CC3)[C@H]2c2ccccc2)c1 ZINC000169791410 1425258409 /nfs/dbraw/zinc/25/84/09/1425258409.db2.gz SAAHFNOLMCJQLY-LEWJYISDSA-N 1 2 382.460 3.247 10 0 GGAELO COc1ccc(OC)c(NC(=O)[C@@H]2OCC[N@@H+](C3CC3)[C@H]2c2ccccc2)c1 ZINC000169791410 1425258418 /nfs/dbraw/zinc/25/84/18/1425258418.db2.gz SAAHFNOLMCJQLY-LEWJYISDSA-N 1 2 382.460 3.247 10 0 GGAELO CN1CCCC[C@H]1C[NH2+]Cc1cc(Br)c(O)c(Br)c1 ZINC000234307183 1433373724 /nfs/dbraw/zinc/37/37/24/1433373724.db2.gz GUENGAMJPNBTCZ-NSHDSACASA-N 1 2 392.135 3.491 10 0 GGAELO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)c3ccc(-c4ncon4)cc3)CC2)c1 ZINC000170947966 1425407002 /nfs/dbraw/zinc/40/70/02/1425407002.db2.gz JIRHDPPSWDQGQI-MRXNPFEDSA-N 1 2 392.459 3.264 10 0 GGAELO Cn1ccnc1C[NH+]1CCC(C(=O)N2CCC[C@](C)(c3ccccc3)C2)CC1 ZINC000172048867 1425881966 /nfs/dbraw/zinc/88/19/66/1425881966.db2.gz FXHFEADHSNODTJ-QHCPKHFHSA-N 1 2 380.536 3.212 10 0 GGAELO Cc1nc(C2(NC(=O)Nc3ccccc3OCCn3cc[nH+]c3)CCCC2)no1 ZINC000173111689 1426347870 /nfs/dbraw/zinc/34/78/70/1426347870.db2.gz GQVWLLRSWFOKEX-UHFFFAOYSA-N 1 2 396.451 3.245 10 0 GGAELO O=C(NCC(c1ccccc1)c1ccccc1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000173437368 1426618311 /nfs/dbraw/zinc/61/83/11/1426618311.db2.gz FTFBVTGQMIHOKO-JOCHJYFZSA-N 1 2 393.531 3.325 10 0 GGAELO O[C@@H](C[NH2+]C1(c2noc(C3CC3)n2)CCCC1)COc1ccccc1Cl ZINC000174245669 1427067464 /nfs/dbraw/zinc/06/74/64/1427067464.db2.gz XYGMNYOVNURIIZ-AWEZNQCLSA-N 1 2 377.872 3.399 10 0 GGAELO O=C(c1cc(C2CC2)nc2ccc(F)cc21)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000174476865 1427173581 /nfs/dbraw/zinc/17/35/81/1427173581.db2.gz BBRPAGTTYWJHHN-QGZVFWFLSA-N 1 2 383.467 3.188 10 0 GGAELO O=C(CCc1cccc(OC2CCCC2)c1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000174499284 1427185251 /nfs/dbraw/zinc/18/52/51/1427185251.db2.gz GQVJSZYFZKQBOR-HXUWFJFHSA-N 1 2 386.536 3.264 10 0 GGAELO COc1ccc(CNc2cc(N3CCC[C@H]3CO)nc[nH+]2)c(OC2CCCC2)c1 ZINC000175055135 1427522019 /nfs/dbraw/zinc/52/20/19/1427522019.db2.gz QWIXJHRLFUFBEC-KRWDZBQOSA-N 1 2 398.507 3.380 10 0 GGAELO COc1ccc(CNc2cc(N3CCC[C@H]3CO)[nH+]cn2)c(OC2CCCC2)c1 ZINC000175055135 1427522027 /nfs/dbraw/zinc/52/20/27/1427522027.db2.gz QWIXJHRLFUFBEC-KRWDZBQOSA-N 1 2 398.507 3.380 10 0 GGAELO Cc1nc2ccc(N(C)C(=O)C3CC[NH+](Cc4nccn4C)CC3)cc2s1 ZINC000175464396 1427769033 /nfs/dbraw/zinc/76/90/33/1427769033.db2.gz HQKURQNZYUOVRT-UHFFFAOYSA-N 1 2 383.521 3.213 10 0 GGAELO Cc1ccc2c(c1)c(=O)n(C)c1nnc(C[NH2+][C@@H](C)c3ccc(F)c(F)c3)n12 ZINC000181640955 1430333338 /nfs/dbraw/zinc/33/33/38/1430333338.db2.gz FHVMSHOQDPAIQA-LBPRGKRZSA-N 1 2 383.402 3.019 10 0 GGAELO Cn1ccnc1CC1CC[NH+]([C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)CC1 ZINC000182238519 1430435012 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3.427 10 0 GGAELO CC(C)(C)OC(=O)NC[C@H]1CCC[N@@H+]1Cc1nc(-c2ccccc2F)no1 ZINC000189054874 1432036105 /nfs/dbraw/zinc/03/61/05/1432036105.db2.gz ATSCUBDBDVUJSW-CYBMUJFWSA-N 1 2 376.432 3.365 10 0 GGAELO CC(C)(C)OC(=O)NC[C@H]1CCC[N@H+]1Cc1nc(-c2ccccc2F)no1 ZINC000189054874 1432036109 /nfs/dbraw/zinc/03/61/09/1432036109.db2.gz ATSCUBDBDVUJSW-CYBMUJFWSA-N 1 2 376.432 3.365 10 0 GGAELO Cc1ccc2c(CCNC(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)cn(C)c2c1 ZINC000189521685 1432146840 /nfs/dbraw/zinc/14/68/40/1432146840.db2.gz RDAOPDRTJROVRF-SFHVURJKSA-N 1 2 377.492 3.002 10 0 GGAELO C[C@H]1CCN(C(=O)C(=O)Nc2cc(Cl)c(F)c(Cl)c2)C[C@@H]1n1cc[nH+]c1 ZINC000190630999 1432425898 /nfs/dbraw/zinc/42/58/98/1432425898.db2.gz BNIDMRWCWYTXSP-HZMBPMFUSA-N 1 2 399.253 3.377 10 0 GGAELO C[C@@H]1CCN(C(=O)C(=O)Nc2cc(Cl)c(F)c(Cl)c2)C[C@H]1n1cc[nH+]c1 ZINC000190631019 1432426025 /nfs/dbraw/zinc/42/60/25/1432426025.db2.gz BNIDMRWCWYTXSP-QMTHXVAHSA-N 1 2 399.253 3.377 10 0 GGAELO COc1cc(S(=O)(=O)N2C[C@@H](n3cc[nH+]c3)Cc3ccccc32)ccc1F ZINC000190722337 1432455807 /nfs/dbraw/zinc/45/58/07/1432455807.db2.gz LGMLNCBFCGDMME-HNNXBMFYSA-N 1 2 387.436 3.024 10 0 GGAELO C[C@@H](NCc1cccc2c1OCCO2)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000237336759 1433398073 /nfs/dbraw/zinc/39/80/73/1433398073.db2.gz AVNOMVBJDAUOCG-MRXNPFEDSA-N 1 2 385.483 3.200 10 0 GGAELO CN1C(=O)Cc2cc(S(=O)(=O)Nc3ccc([NH+]4CCCCCC4)cc3)ccc21 ZINC000242975312 1433448132 /nfs/dbraw/zinc/44/81/32/1433448132.db2.gz HPJUWXMDJISPIM-UHFFFAOYSA-N 1 2 399.516 3.387 10 0 GGAELO C[C@@H]1CCN(CN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)C[C@H]1n1cc[nH+]c1 ZINC000246424121 1433610736 /nfs/dbraw/zinc/61/07/36/1433610736.db2.gz CTPWIBGVDSMDPH-BDJLRTHQSA-N 1 2 393.274 3.327 10 0 GGAELO COCCN1[C@H](C)C[N@H+]([C@H](C)C(=O)N[C@H](C)c2cccc3ccccc32)C[C@@H]1C ZINC000246550489 1433629952 /nfs/dbraw/zinc/62/99/52/1433629952.db2.gz DLFKPBPTHCWINS-IYWMVGAKSA-N 1 2 397.563 3.447 10 0 GGAELO COCCN1[C@H](C)C[N@@H+]([C@H](C)C(=O)N[C@H](C)c2cccc3ccccc32)C[C@@H]1C ZINC000246550489 1433629954 /nfs/dbraw/zinc/62/99/54/1433629954.db2.gz DLFKPBPTHCWINS-IYWMVGAKSA-N 1 2 397.563 3.447 10 0 GGAELO CCCCN(C)c1ccc(NC(=O)C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000247352445 1433711991 /nfs/dbraw/zinc/71/19/91/1433711991.db2.gz HAWUFHBRWDLGNJ-PXNSSMCTSA-N 1 2 397.523 3.168 10 0 GGAELO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)[C@H]1C[C@H]1c1ccccc1Cl ZINC000247459695 1433725132 /nfs/dbraw/zinc/72/51/32/1433725132.db2.gz AKUAQOKVUODYMV-HOJAQTOUSA-N 1 2 384.907 3.461 10 0 GGAELO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@H]1C[C@H]1c1ccccc1Cl ZINC000247459695 1433725141 /nfs/dbraw/zinc/72/51/41/1433725141.db2.gz AKUAQOKVUODYMV-HOJAQTOUSA-N 1 2 384.907 3.461 10 0 GGAELO C[C@@H]1C[N@H+](Cc2cc(Br)cc(Br)c2O)CC[C@H]1O ZINC000249528151 1433846375 /nfs/dbraw/zinc/84/63/75/1433846375.db2.gz AFBOSVYGJYLEJA-PRHODGIISA-N 1 2 379.092 3.120 10 0 GGAELO C[C@@H]1C[N@@H+](Cc2cc(Br)cc(Br)c2O)CC[C@H]1O ZINC000249528151 1433846377 /nfs/dbraw/zinc/84/63/77/1433846377.db2.gz AFBOSVYGJYLEJA-PRHODGIISA-N 1 2 379.092 3.120 10 0 GGAELO CC(C)CC(=O)N1CCC(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)CC1 ZINC000253448467 1433867714 /nfs/dbraw/zinc/86/77/14/1433867714.db2.gz MZKQLIGFTLNAHH-RMKNXTFCSA-N 1 2 397.563 3.129 10 0 GGAELO Cc1c[nH+]c(C2CN(C(=O)Cc3ccccc3Cl)C2)n1Cc1ccncc1 ZINC000257174689 1433893130 /nfs/dbraw/zinc/89/31/30/1433893130.db2.gz JPWWJXJUDZCFTF-UHFFFAOYSA-N 1 2 380.879 3.457 10 0 GGAELO CCOc1ccccc1C(=O)N1C[C@@H](COc2cc[nH+]cc2)C2(C1)CCOCC2 ZINC000257174747 1433893175 /nfs/dbraw/zinc/89/31/75/1433893175.db2.gz KGYPHXSRXCMAKC-SFHVURJKSA-N 1 2 396.487 3.428 10 0 GGAELO Cc1c[nH+]c(CO[C@@H]2CCCN(C(=O)c3cc(-c4ccc(F)cc4)n[nH]3)C2)n1C ZINC000257176053 1433893353 /nfs/dbraw/zinc/89/33/53/1433893353.db2.gz RPMNUVLNSHRVSX-QGZVFWFLSA-N 1 2 397.454 3.079 10 0 GGAELO Cc1c[nH+]c(-c2ccccc2)n1C[C@@H]1CCN(C(=O)c2c(C)nn(C)c2C)C1 ZINC000257175057 1433893393 /nfs/dbraw/zinc/89/33/93/1433893393.db2.gz NJLYNEAECHQUQG-GOSISDBHSA-N 1 2 377.492 3.371 10 0 GGAELO O=C(Cn1cc[nH+]c1)N1CCC(N2C(=O)C3(CCCC3)[C@@H]2c2ccccc2)CC1 ZINC000257184116 1433893917 /nfs/dbraw/zinc/89/39/17/1433893917.db2.gz IEJJIUVHLGJLSS-NRFANRHFSA-N 1 2 392.503 3.018 10 0 GGAELO Cc1ccc(C[N@H+]2CCC[C@H]2c2nnc3n2CCN(C(=O)C(C)C)CC3)s1 ZINC000257190758 1433894473 /nfs/dbraw/zinc/89/44/73/1433894473.db2.gz NSMVVYJARBBEAS-KRWDZBQOSA-N 1 2 387.553 3.026 10 0 GGAELO Cc1ccc(C[N@@H+]2CCC[C@H]2c2nnc3n2CCN(C(=O)C(C)C)CC3)s1 ZINC000257190758 1433894474 /nfs/dbraw/zinc/89/44/74/1433894474.db2.gz NSMVVYJARBBEAS-KRWDZBQOSA-N 1 2 387.553 3.026 10 0 GGAELO COc1ccc(C2(C(=O)NCCn3c(C)c[nH+]c3-c3cccnc3)CC2)cc1 ZINC000257192978 1433894727 /nfs/dbraw/zinc/89/47/27/1433894727.db2.gz WUNBDCGBGDTBAE-UHFFFAOYSA-N 1 2 376.460 3.110 10 0 GGAELO CCn1ccc(C(=O)N2CCC(CCn3c(C)c[nH+]c3-c3cccnc3)CC2)n1 ZINC000257196213 1433894901 /nfs/dbraw/zinc/89/49/01/1433894901.db2.gz XUOMKCUVJBYIBB-UHFFFAOYSA-N 1 2 392.507 3.412 10 0 GGAELO CCn1nccc1C(=O)N1CCC(CCn2c(C)c[nH+]c2-c2cccnc2)CC1 ZINC000257194841 1433894937 /nfs/dbraw/zinc/89/49/37/1433894937.db2.gz UTOWYFKMWMGDIV-UHFFFAOYSA-N 1 2 392.507 3.412 10 0 GGAELO C[C@@H](C(=O)N(C)Cc1c(F)cccc1Cl)N1CC[NH+](Cc2ccco2)CC1 ZINC000261369280 1433895349 /nfs/dbraw/zinc/89/53/49/1433895349.db2.gz HMJYUXFQVKAWRM-HNNXBMFYSA-N 1 2 393.890 3.237 10 0 GGAELO CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000263939621 1434051170 /nfs/dbraw/zinc/05/11/70/1434051170.db2.gz DUSFPRBDRCEYNZ-UKRRQHHQSA-N 1 2 386.448 3.047 10 0 GGAELO CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000263939621 1434051173 /nfs/dbraw/zinc/05/11/73/1434051173.db2.gz DUSFPRBDRCEYNZ-UKRRQHHQSA-N 1 2 386.448 3.047 10 0 GGAELO C[C@H]1CCN(C(=O)Nc2ccc(N3CCCC3=O)c(F)c2)C[C@H]1n1cc[nH+]c1 ZINC000268317750 1434511618 /nfs/dbraw/zinc/51/16/18/1434511618.db2.gz FBXYVPYNFBAPMP-KBXCAEBGSA-N 1 2 385.443 3.264 10 0 GGAELO CC(=O)Nc1ccc(O)c(C(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000270016648 1434693592 /nfs/dbraw/zinc/69/35/92/1434693592.db2.gz CPBJVUZBYZQDPD-GJZGRUSLSA-N 1 2 397.475 3.212 10 0 GGAELO CCCOc1ccc(/C=C/C(=O)N[C@@H]2CCO[C@@H](c3c[nH+]cn3C)C2)cc1OC ZINC000275813088 1435171948 /nfs/dbraw/zinc/17/19/48/1435171948.db2.gz DXOWEBQZQOGJOO-ASZUZNPLSA-N 1 2 399.491 3.267 10 0 GGAELO CN(CCCCCO)C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000279168487 1435467037 /nfs/dbraw/zinc/46/70/37/1435467037.db2.gz FLIHYUWTRAKDQN-QGZVFWFLSA-N 1 2 385.911 3.420 10 0 GGAELO CN(CCCCCO)C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000279168482 1435467134 /nfs/dbraw/zinc/46/71/34/1435467134.db2.gz FLIHYUWTRAKDQN-KRWDZBQOSA-N 1 2 385.911 3.420 10 0 GGAELO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]21 ZINC000279927081 1435564702 /nfs/dbraw/zinc/56/47/02/1435564702.db2.gz GTZFBSVQGBSETN-SOLBZPMBSA-N 1 2 399.520 3.049 10 0 GGAELO C[C@H]1CCN(C(=O)NCc2ccncc2OCC(F)(F)F)C[C@@H]1n1cc[nH+]c1 ZINC000282134382 1435835909 /nfs/dbraw/zinc/83/59/09/1435835909.db2.gz GMQVUSNBGHKWSP-ZFWWWQNUSA-N 1 2 397.401 3.012 10 0 GGAELO COc1ccccc1C[N@H+](CCO)Cc1c[nH]c(=NC(=O)OC(C)(C)C)s1 ZINC000282407428 1435846215 /nfs/dbraw/zinc/84/62/15/1435846215.db2.gz HWONGTYVMLJBRP-UHFFFAOYSA-N 1 2 393.509 3.493 10 0 GGAELO COc1ccccc1C[N@@H+](CCO)Cc1c[nH]c(=NC(=O)OC(C)(C)C)s1 ZINC000282407428 1435846216 /nfs/dbraw/zinc/84/62/16/1435846216.db2.gz HWONGTYVMLJBRP-UHFFFAOYSA-N 1 2 393.509 3.493 10 0 GGAELO