smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)Cn1nc(C(=O)NC2CCCC2)c2c1CC[N@H+](C/C=C/c1ccccc1)C2 ZINC000014536778 845956949 /nfs/dbraw/zinc/95/69/49/845956949.db2.gz PVPRRXSTOCYFLA-DHZHZOJOSA-N 1 2 406.574 4.283 50 0 HIAALO CC(C)Cn1nc(C(=O)NC2CCCC2)c2c1CC[N@@H+](C/C=C/c1ccccc1)C2 ZINC000014536778 845956957 /nfs/dbraw/zinc/95/69/57/845956957.db2.gz PVPRRXSTOCYFLA-DHZHZOJOSA-N 1 2 406.574 4.283 50 0 HIAALO COC(=O)c1ccc(-c2nc(C[N@H+](Cc3c(C)nn(C)c3C)C(C)C)c(C)o2)cc1 ZINC000015079297 846006608 /nfs/dbraw/zinc/00/66/08/846006608.db2.gz WEPJNINVKQJDOJ-UHFFFAOYSA-N 1 2 410.518 4.198 50 0 HIAALO COC(=O)c1ccc(-c2nc(C[N@@H+](Cc3c(C)nn(C)c3C)C(C)C)c(C)o2)cc1 ZINC000015079297 846006610 /nfs/dbraw/zinc/00/66/10/846006610.db2.gz WEPJNINVKQJDOJ-UHFFFAOYSA-N 1 2 410.518 4.198 50 0 HIAALO Cc1cc(C(=O)CN2CC[NH+](C/C=C\c3ccccc3)CC2)c(C)n1Cc1ccco1 ZINC000096833683 852556078 /nfs/dbraw/zinc/55/60/78/852556078.db2.gz BLEHTKAAXPYNQE-POHAHGRESA-N 1 2 417.553 4.260 50 0 HIAALO C[C@H](NC(=O)CN1CC[NH+](C/C=C\c2ccccc2)CC1)c1cccc2ccccc21 ZINC000096905320 852556834 /nfs/dbraw/zinc/55/68/34/852556834.db2.gz HSUGOZNKBAQYIB-GIVJRHHMSA-N 1 2 413.565 4.348 50 0 HIAALO O=C(CN1CC[NH+](C/C=C\c2ccccc2)CC1)N(Cc1ccco1)C1=CCCCC1 ZINC000096873363 852557257 /nfs/dbraw/zinc/55/72/57/852557257.db2.gz NGXOLGGIPKNZCF-XFFZJAGNSA-N 1 2 419.569 4.397 50 0 HIAALO COc1cc(/C=C\C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc(Cl)c1OC ZINC000097674692 852646265 /nfs/dbraw/zinc/64/62/65/852646265.db2.gz QXLDICQCIIBCPB-KHSJVXASSA-N 1 2 411.889 4.434 50 0 HIAALO COc1cc(/C=C\C(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc(Cl)c1OC ZINC000097674691 852646641 /nfs/dbraw/zinc/64/66/41/852646641.db2.gz QXLDICQCIIBCPB-NOKKCYSASA-N 1 2 411.889 4.434 50 0 HIAALO CCC[C@H](NC(=O)[C@H](C)N1CC[NH+](C/C=C\c2ccccc2)CC1)c1ccccc1 ZINC000254394375 854211081 /nfs/dbraw/zinc/21/10/81/854211081.db2.gz PXAONHLXWDLOMQ-SYRVNQPISA-N 1 2 405.586 4.364 50 0 HIAALO COc1ccc(C(=O)N2CCC(n3c(C)c[nH+]c3-c3ccccc3)CC2)c(OC)c1 ZINC000257192304 854235131 /nfs/dbraw/zinc/23/51/31/854235131.db2.gz SYCVOFLZBTYFEX-UHFFFAOYSA-N 1 2 405.498 4.353 50 0 HIAALO Cc1ccc(CNC(=O)N2CCC3(CC2)C[C@@H](CCOc2cc[nH+]cc2)CCO3)cc1 ZINC000575552610 948679255 /nfs/dbraw/zinc/67/92/55/948679255.db2.gz FYEVBNYCEDZPBJ-NRFANRHFSA-N 1 2 423.557 4.330 50 0 HIAALO Cc1cccc(-n2ncc3c2nc[nH+]c3N2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000001144623 132238917 /nfs/dbraw/zinc/23/89/17/132238917.db2.gz GHCHDKLWBIVIRM-UHFFFAOYSA-N 1 2 404.905 4.104 50 0 HIAALO COc1ccc(C[NH+]2CCN(c3nc(C(F)(F)F)nc4ccccc43)CC2)cc1F ZINC000009646532 132342050 /nfs/dbraw/zinc/34/20/50/132342050.db2.gz CLCYLDKMVWONRP-UHFFFAOYSA-N 1 2 420.410 4.119 50 0 HIAALO CC[N@@H+](Cc1cccc(C)c1)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O ZINC000032913327 521336789 /nfs/dbraw/zinc/33/67/89/521336789.db2.gz SRVMTGZZWZHNOJ-UHFFFAOYSA-N 1 2 413.521 4.270 50 0 HIAALO CC[N@H+](Cc1cccc(C)c1)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O ZINC000032913327 521336797 /nfs/dbraw/zinc/33/67/97/521336797.db2.gz SRVMTGZZWZHNOJ-UHFFFAOYSA-N 1 2 413.521 4.270 50 0 HIAALO COc1ccc(-c2cc(NC(=O)c3ccc(-n4cc[nH+]c4)nc3)ccc2OC)cc1 ZINC000032909680 523110910 /nfs/dbraw/zinc/11/09/10/523110910.db2.gz UFRNRUNYHRQBAL-UHFFFAOYSA-N 1 2 400.438 4.204 50 0 HIAALO COc1cccc([C@H](NC(=O)NCCCc2ccc(C)cc2C)c2[nH+]ccn2C)c1 ZINC000032802471 524163148 /nfs/dbraw/zinc/16/31/48/524163148.db2.gz FMDDTMNAWVFNKC-QFIPXVFZSA-N 1 2 406.530 4.067 50 0 HIAALO COc1ccc([C@H](NC(=O)NCc2cccc(C(F)(F)F)c2)c2[nH+]ccn2C)cc1 ZINC000032802585 525368530 /nfs/dbraw/zinc/36/85/30/525368530.db2.gz LALWMOZEDXGDNW-SFHVURJKSA-N 1 2 418.419 4.036 50 0 HIAALO Cc1c(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)sc2nc(C)nc(C)c12 ZINC000032779952 525575565 /nfs/dbraw/zinc/57/55/65/525575565.db2.gz REUQWIMEHFXXKG-UHFFFAOYSA-N 1 2 412.534 4.104 50 0 HIAALO Cc1c(C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)sc2nc(C)nc(C)c12 ZINC000032779952 525575572 /nfs/dbraw/zinc/57/55/72/525575572.db2.gz REUQWIMEHFXXKG-UHFFFAOYSA-N 1 2 412.534 4.104 50 0 HIAALO Cc1nc(CSc2ccc(C(=O)N3CCN(c4cccc[nH+]4)CC3)cc2)cs1 ZINC000032895486 526915463 /nfs/dbraw/zinc/91/54/63/526915463.db2.gz HWLISWGVVFNDMH-UHFFFAOYSA-N 1 2 410.568 4.101 50 0 HIAALO O=C1c2ccccc2N[C@@H](c2ccc3ccccc3c2)N1CCC[NH+]1CCOCC1 ZINC000024099668 527134175 /nfs/dbraw/zinc/13/41/75/527134175.db2.gz MYVSPDRRPOGMIO-XMMPIXPASA-N 1 2 401.510 4.129 50 0 HIAALO O=C(Nc1cccc(C[NH+]2CCOCC2)c1)c1ccc(COc2ccc(F)cc2)o1 ZINC000020602121 527338356 /nfs/dbraw/zinc/33/83/56/527338356.db2.gz ICQFEJFLINRZJJ-UHFFFAOYSA-N 1 2 410.445 4.082 50 0 HIAALO Cn1cc[nH+]c1[C@H](NC(=O)COc1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1 ZINC000048354127 527462791 /nfs/dbraw/zinc/46/27/91/527462791.db2.gz AXHPXDJNXDFHNI-GOSISDBHSA-N 1 2 423.822 4.377 50 0 HIAALO OCC[C@H]1CCCCN1c1ccc(CNc2ncnc3c4ccccc4oc32)c[nH+]1 ZINC000040149335 527570391 /nfs/dbraw/zinc/57/03/91/527570391.db2.gz CMOYRCINXRJHHL-QGZVFWFLSA-N 1 2 403.486 4.124 50 0 HIAALO Cc1nc2n(n1)C(=O)C([C@H](c1cccc(Br)c1)[NH+]1CCCCC1)S2 ZINC000022625993 557077406 /nfs/dbraw/zinc/07/74/06/557077406.db2.gz DFQJUVOCJJMKHE-AWEZNQCLSA-N 1 2 407.337 4.143 50 0 HIAALO CCOc1ccc([C@@H](C2Sc3nc(C)nn3C2=O)[N@@H+]2CCC[C@@H](C)C2)cc1OC ZINC000022626127 557080375 /nfs/dbraw/zinc/08/03/75/557080375.db2.gz ZWBQGHGHGQBBGJ-ACJLOTCBSA-N 1 2 416.547 4.033 50 0 HIAALO CCOc1ccc([C@@H](C2Sc3nc(C)nn3C2=O)[N@H+]2CCC[C@@H](C)C2)cc1OC ZINC000022626127 557080380 /nfs/dbraw/zinc/08/03/80/557080380.db2.gz ZWBQGHGHGQBBGJ-ACJLOTCBSA-N 1 2 416.547 4.033 50 0 HIAALO CCOc1ccc([C@@H](C2Sc3nc(C)nn3C2=O)[NH+]2CCC(C)CC2)cc1OC ZINC000022626204 557080657 /nfs/dbraw/zinc/08/06/57/557080657.db2.gz KVRXRFWNYXMWOO-SFHVURJKSA-N 1 2 416.547 4.033 50 0 HIAALO COc1cc2c(cc1OC)[C@H](CNC(=O)CC(C)C)[N@H+](Cc1ccccc1F)CC2 ZINC000034857364 557477571 /nfs/dbraw/zinc/47/75/71/557477571.db2.gz NCNVUULJOSOMPA-NRFANRHFSA-N 1 2 414.521 4.105 50 0 HIAALO COc1cc2c(cc1OC)[C@H](CNC(=O)CC(C)C)[N@@H+](Cc1ccccc1F)CC2 ZINC000034857364 557477573 /nfs/dbraw/zinc/47/75/73/557477573.db2.gz NCNVUULJOSOMPA-NRFANRHFSA-N 1 2 414.521 4.105 50 0 HIAALO C[C@@H](c1nnc(-c2ccc(F)cc2)o1)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000022925502 558271371 /nfs/dbraw/zinc/27/13/71/558271371.db2.gz WRQZKQAIBOGUMY-HNNXBMFYSA-N 1 2 400.885 4.408 50 0 HIAALO COc1ccc(-n2cc(C[N@H+](C)Cc3nc(C)c[nH]3)c(-c3cccc(F)c3)n2)cc1 ZINC000011818969 558282054 /nfs/dbraw/zinc/28/20/54/558282054.db2.gz YOZJSZWKJOJGIZ-UHFFFAOYSA-N 1 2 405.477 4.351 50 0 HIAALO COc1ccc(-n2cc(C[N@@H+](C)Cc3nc(C)c[nH]3)c(-c3cccc(F)c3)n2)cc1 ZINC000011818969 558282056 /nfs/dbraw/zinc/28/20/56/558282056.db2.gz YOZJSZWKJOJGIZ-UHFFFAOYSA-N 1 2 405.477 4.351 50 0 HIAALO COc1ccc(-n2cc(CN(C)Cc3[nH]cc(C)[nH+]3)c(-c3cccc(F)c3)n2)cc1 ZINC000011818969 558282057 /nfs/dbraw/zinc/28/20/57/558282057.db2.gz YOZJSZWKJOJGIZ-UHFFFAOYSA-N 1 2 405.477 4.351 50 0 HIAALO Cc1c[nH]c(C[NH+]2CCC(Oc3cc(Cl)ccc3C(=O)N3CCCCC3)CC2)n1 ZINC000012300894 558370565 /nfs/dbraw/zinc/37/05/65/558370565.db2.gz XMEHTYKUJZMFAL-UHFFFAOYSA-N 1 2 416.953 4.041 50 0 HIAALO Cc1ccsc1C(=O)[C@H]1CCC[N@@H+](Cc2ccc(Sc3nncn3C)o2)C1 ZINC000012304370 558373562 /nfs/dbraw/zinc/37/35/62/558373562.db2.gz FUQQCZSMCJEICZ-AWEZNQCLSA-N 1 2 402.545 4.024 50 0 HIAALO Cc1ccsc1C(=O)[C@H]1CCC[N@H+](Cc2ccc(Sc3nncn3C)o2)C1 ZINC000012304370 558373566 /nfs/dbraw/zinc/37/35/66/558373566.db2.gz FUQQCZSMCJEICZ-AWEZNQCLSA-N 1 2 402.545 4.024 50 0 HIAALO OCC[C@@H]1C[N@H+](Cc2cccc(OC3CCCC3)c2)CCN1Cc1cccs1 ZINC000020877760 558419392 /nfs/dbraw/zinc/41/93/92/558419392.db2.gz XDUWKTSBZXLRDI-HXUWFJFHSA-N 1 2 400.588 4.138 50 0 HIAALO OCC[C@@H]1C[N@@H+](Cc2cccc(OC3CCCC3)c2)CCN1Cc1cccs1 ZINC000020877760 558419396 /nfs/dbraw/zinc/41/93/96/558419396.db2.gz XDUWKTSBZXLRDI-HXUWFJFHSA-N 1 2 400.588 4.138 50 0 HIAALO Cc1cccc(NC(=O)CSc2[nH+]cnc3c2cnn3-c2ccc(C)cc2C)c1 ZINC000004341738 558425361 /nfs/dbraw/zinc/42/53/61/558425361.db2.gz SKVLGVWKQQNZFU-UHFFFAOYSA-N 1 2 403.511 4.472 50 0 HIAALO CN(Cc1ccccc1)c1nc(-c2ccsc2)ccc1C(=O)NCCn1cc[nH+]c1 ZINC000020999476 558428197 /nfs/dbraw/zinc/42/81/97/558428197.db2.gz VDQOQBUKDSGJAT-UHFFFAOYSA-N 1 2 417.538 4.073 50 0 HIAALO Cc1nn(-c2ccc(C(=O)NCCn3c(C)[nH+]c4ccccc43)cc2)c(C)c1Cl ZINC000010737213 558433347 /nfs/dbraw/zinc/43/33/47/558433347.db2.gz XSGGKFPVPBKVDK-UHFFFAOYSA-N 1 2 407.905 4.231 50 0 HIAALO Cc1[nH+]c2ccccc2n1CCNC(=O)COc1ccc2oc3c(c2c1)CCCC3 ZINC000010737162 558433367 /nfs/dbraw/zinc/43/33/67/558433367.db2.gz QFRDWWDDBBJXNE-UHFFFAOYSA-N 1 2 403.482 4.165 50 0 HIAALO CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCC[N@H+](CC)c1ccccc1 ZINC000072067220 558447596 /nfs/dbraw/zinc/44/75/96/558447596.db2.gz UQVDYFWCLSQETF-RDPSFJRHSA-N 1 2 421.585 4.019 50 0 HIAALO CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCC[N@@H+](CC)c1ccccc1 ZINC000072067220 558447597 /nfs/dbraw/zinc/44/75/97/558447597.db2.gz UQVDYFWCLSQETF-RDPSFJRHSA-N 1 2 421.585 4.019 50 0 HIAALO CC[N@@H+](Cc1cccc(F)c1)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O ZINC000022096110 558463492 /nfs/dbraw/zinc/46/34/92/558463492.db2.gz NTFMDSLDTJODOG-UHFFFAOYSA-N 1 2 417.484 4.101 50 0 HIAALO CC[N@H+](Cc1cccc(F)c1)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O ZINC000022096110 558463495 /nfs/dbraw/zinc/46/34/95/558463495.db2.gz NTFMDSLDTJODOG-UHFFFAOYSA-N 1 2 417.484 4.101 50 0 HIAALO C[C@H](c1nc2ccccc2s1)[NH+]1CCN(CC(=O)Nc2ccccc2Cl)CC1 ZINC000022804527 558513795 /nfs/dbraw/zinc/51/37/95/558513795.db2.gz XVBKJKYHRRTPMM-OAHLLOKOSA-N 1 2 414.962 4.267 50 0 HIAALO S=c1oc(-c2ccccc2)nn1CN1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000022918044 558522314 /nfs/dbraw/zinc/52/23/14/558522314.db2.gz FQKLAYRSCDWVNV-UHFFFAOYSA-N 1 2 400.935 4.301 50 0 HIAALO O=C(Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1)c1ccc(-n2cc[nH+]c2)nc1 ZINC000023055211 558532315 /nfs/dbraw/zinc/53/23/15/558532315.db2.gz SPZBSQKLXRHFNL-UHFFFAOYSA-N 1 2 405.527 4.444 50 0 HIAALO CCOC(=O)c1c(NC(=O)Nc2cc(OC)ccc2Cl)sc2c1CC[N@H+](C)C2 ZINC000013465243 558533268 /nfs/dbraw/zinc/53/32/68/558533268.db2.gz ITJQZNYQWQFGKF-UHFFFAOYSA-N 1 2 423.922 4.219 50 0 HIAALO CCOC(=O)c1c(NC(=O)Nc2cc(OC)ccc2Cl)sc2c1CC[N@@H+](C)C2 ZINC000013465243 558533272 /nfs/dbraw/zinc/53/32/72/558533272.db2.gz ITJQZNYQWQFGKF-UHFFFAOYSA-N 1 2 423.922 4.219 50 0 HIAALO Fc1ccccc1CN(CC[NH+]1CCOCC1)C(=S)Nc1ccccc1Cl ZINC000013544576 558537680 /nfs/dbraw/zinc/53/76/80/558537680.db2.gz ZAJGWAKEMUYWQI-UHFFFAOYSA-N 1 2 407.942 4.010 50 0 HIAALO CCc1sc(-c2nnc(CN3CC[NH+](Cc4ccccc4F)CC3)o2)cc1C ZINC000023259230 558546986 /nfs/dbraw/zinc/54/69/86/558546986.db2.gz FCDNZNUTBWXKFW-UHFFFAOYSA-N 1 2 400.523 4.126 50 0 HIAALO O=C(c1ccc(Cl)nc1)N1CC[NH+]([C@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000023320172 558549100 /nfs/dbraw/zinc/54/91/00/558549100.db2.gz UTCDECXUYDVLIU-JOCHJYFZSA-N 1 2 409.892 4.422 50 0 HIAALO CC(C)CN1c2ccc(Br)cc2[C@]2([NH2+]CCc3c4ccccc4[nH]c32)C1=O ZINC000013635283 558553816 /nfs/dbraw/zinc/55/38/16/558553816.db2.gz MBEPOMDEIHZEAY-JOCHJYFZSA-N 1 2 424.342 4.322 50 0 HIAALO O=C(NC[C@H](c1cccs1)[NH+]1CCOCC1)C(c1ccccc1)c1ccccc1 ZINC000023744739 558573647 /nfs/dbraw/zinc/57/36/47/558573647.db2.gz PHDCJFOKJBHZFG-OAQYLSRUSA-N 1 2 406.551 4.070 50 0 HIAALO O=C1NC2(CCCCCC2)C(=O)N1C[N@@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000023855578 558578145 /nfs/dbraw/zinc/57/81/45/558578145.db2.gz MJGIALGYKSTKDT-SFHVURJKSA-N 1 2 415.584 4.359 50 0 HIAALO O=C1NC2(CCCCCC2)C(=O)N1C[N@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000023855578 558578148 /nfs/dbraw/zinc/57/81/48/558578148.db2.gz MJGIALGYKSTKDT-SFHVURJKSA-N 1 2 415.584 4.359 50 0 HIAALO Cc1sc2nc(CN3CCOCC3)nc(Nc3ccc([NH+]4CCCC4)cc3)c2c1C ZINC000023936966 558581960 /nfs/dbraw/zinc/58/19/60/558581960.db2.gz ZTAYMPZQDGADTR-UHFFFAOYSA-N 1 2 423.586 4.484 50 0 HIAALO CC[C@@H](c1nnc(SCC(=O)c2ccccc2F)n1Cc1ccccc1)[NH+](C)C ZINC000004494595 558610165 /nfs/dbraw/zinc/61/01/65/558610165.db2.gz GYHWLVUMQOXOHH-IBGZPJMESA-N 1 2 412.534 4.453 50 0 HIAALO COc1ccc(C[N@H+](C)Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)c(OC)c1 ZINC000025431219 558640805 /nfs/dbraw/zinc/64/08/05/558640805.db2.gz JWLYINCTVBXLNL-UHFFFAOYSA-N 1 2 407.392 4.405 50 0 HIAALO COc1ccc(C[N@@H+](C)Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)c(OC)c1 ZINC000025431219 558640806 /nfs/dbraw/zinc/64/08/06/558640806.db2.gz JWLYINCTVBXLNL-UHFFFAOYSA-N 1 2 407.392 4.405 50 0 HIAALO CCCOc1ccc2ccccc2c1CN(C)C(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000025536031 558642976 /nfs/dbraw/zinc/64/29/76/558642976.db2.gz SISOSTNLELEPKT-UHFFFAOYSA-N 1 2 400.482 4.482 50 0 HIAALO O=C(N[C@@H]([NH2+]Cc1ccccc1)C(=O)c1ccccc1)c1ccc(Br)cc1 ZINC000025558864 558643706 /nfs/dbraw/zinc/64/37/06/558643706.db2.gz DGVHPXGPTUIMMY-OAQYLSRUSA-N 1 2 423.310 4.178 50 0 HIAALO Fc1ccc(-n2c(C[NH+]3CCCCC3)nnc2SCc2nnsc2Cl)cc1 ZINC000025748413 558649037 /nfs/dbraw/zinc/64/90/37/558649037.db2.gz HOAWTIMJMZNRAM-UHFFFAOYSA-N 1 2 424.958 4.190 50 0 HIAALO O=C(c1ccccc1SC[C@H]1CCCO1)N1CC[NH+](Cc2ccccc2F)CC1 ZINC000027315244 558671719 /nfs/dbraw/zinc/67/17/19/558671719.db2.gz LWXAHQZBABJAIL-LJQANCHMSA-N 1 2 414.546 4.055 50 0 HIAALO O=C(Nc1ccnn1C1CC[NH+](Cc2ccon2)CC1)Nc1ccccc1Cl ZINC000015064257 558707066 /nfs/dbraw/zinc/70/70/66/558707066.db2.gz XKNABWFPMYFFDZ-UHFFFAOYSA-N 1 2 400.870 4.006 50 0 HIAALO COc1ccc(-c2nn(-c3ccccc3F)cc2C[N@H+](C)Cc2nonc2C)cc1 ZINC000015070144 558712266 /nfs/dbraw/zinc/71/22/66/558712266.db2.gz ONDHFBFVXAEKQE-UHFFFAOYSA-N 1 2 407.449 4.010 50 0 HIAALO COc1ccc(-c2nn(-c3ccccc3F)cc2C[N@@H+](C)Cc2nonc2C)cc1 ZINC000015070144 558712270 /nfs/dbraw/zinc/71/22/70/558712270.db2.gz ONDHFBFVXAEKQE-UHFFFAOYSA-N 1 2 407.449 4.010 50 0 HIAALO O=C(c1ccc2ncsc2c1)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000029284907 558712731 /nfs/dbraw/zinc/71/27/31/558712731.db2.gz PZKHFGZGGHCZRA-UHFFFAOYSA-N 1 2 421.444 4.153 50 0 HIAALO COc1cccc([C@H](NC(=O)NCc2cccc(C(F)(F)F)c2)c2[nH+]ccn2C)c1 ZINC000029316917 558713202 /nfs/dbraw/zinc/71/32/02/558713202.db2.gz UOTFYKDALVJOFH-SFHVURJKSA-N 1 2 418.419 4.036 50 0 HIAALO CCC[C@@H](CNC(=O)CSc1nc(N)cc(C)[nH+]1)c1ccc(Cl)cc1Cl ZINC000029914803 558723968 /nfs/dbraw/zinc/72/39/68/558723968.db2.gz DYXKPMPRDBWRAF-LBPRGKRZSA-N 1 2 413.374 4.466 50 0 HIAALO Cc1ccc(CNC(=O)c2nnc(C[NH2+][C@H](C)c3ccc(Cl)cc3)s2)cc1 ZINC000029937625 558724609 /nfs/dbraw/zinc/72/46/09/558724609.db2.gz GUJNIADFHICIFA-CQSZACIVSA-N 1 2 400.935 4.281 50 0 HIAALO Cn1ccnc1[C@H]([NH2+]Cc1ccc(OCc2cscn2)cc1)c1ccccc1F ZINC000030645579 558734858 /nfs/dbraw/zinc/73/48/58/558734858.db2.gz SAIBSBMOQZAGDO-OAQYLSRUSA-N 1 2 408.502 4.474 50 0 HIAALO Cc1ccc(C)c(-n2ncc3c2nc[nH+]c3N2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000015880896 558760432 /nfs/dbraw/zinc/76/04/32/558760432.db2.gz BMUPUPOVTZRRHY-UHFFFAOYSA-N 1 2 418.932 4.412 50 0 HIAALO CCOC(=O)c1c(NC(=O)C[N@@H+]2CCc3ccccc3C2)sc2c1CC[C@@H](C)C2 ZINC000034852207 558785079 /nfs/dbraw/zinc/78/50/79/558785079.db2.gz FJUHMBRKVQEXHX-OAHLLOKOSA-N 1 2 412.555 4.046 50 0 HIAALO CCOC(=O)c1c(NC(=O)C[N@H+]2CCc3ccccc3C2)sc2c1CC[C@@H](C)C2 ZINC000034852207 558785081 /nfs/dbraw/zinc/78/50/81/558785081.db2.gz FJUHMBRKVQEXHX-OAHLLOKOSA-N 1 2 412.555 4.046 50 0 HIAALO COc1cc(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)cc(Br)c1O ZINC000016310222 558785089 /nfs/dbraw/zinc/78/50/89/558785089.db2.gz ZKHSCINFVFLHON-UHFFFAOYSA-N 1 2 411.727 4.139 50 0 HIAALO CN1CC[NH+]([C@H](CNC(=O)Cc2ccc(-c3ccccc3)cc2)c2cccs2)CC1 ZINC000032983774 558804715 /nfs/dbraw/zinc/80/47/15/558804715.db2.gz ZDVSJBHTIVUMIU-HSZRJFAPSA-N 1 2 419.594 4.063 50 0 HIAALO Cc1ccc(CN2CCN(S(=O)(=O)c3cccc(Cl)c3)c3ccc[nH+]c32)cc1 ZINC000033019575 558836186 /nfs/dbraw/zinc/83/61/86/558836186.db2.gz NRHFGMSKIAOVMM-UHFFFAOYSA-N 1 2 413.930 4.259 50 0 HIAALO COc1ccc(CNC(=O)C2CCN(c3[nH+]cccc3-n3c(C)ccc3C)CC2)cc1 ZINC000033034476 558858540 /nfs/dbraw/zinc/85/85/40/558858540.db2.gz PFYKTELRRBXOFR-UHFFFAOYSA-N 1 2 418.541 4.031 50 0 HIAALO O=C([C@H]1CCCN(c2[nH]c3ccccc3[nH+]2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000033071649 558866466 /nfs/dbraw/zinc/86/64/66/558866466.db2.gz OHJIJUKYJDKPED-NRFANRHFSA-N 1 2 402.542 4.261 50 0 HIAALO Cc1cc(C)n(-c2ccc(C(=O)NC[C@@H](c3c(F)cccc3Cl)[NH+](C)C)cc2)n1 ZINC000058160454 558905061 /nfs/dbraw/zinc/90/50/61/558905061.db2.gz MRIQMRTYRWVQHE-FQEVSTJZSA-N 1 2 414.912 4.314 50 0 HIAALO Cc1ccc2cc(C(=O)NCc3cn4cc(Br)ccc4[nH+]3)c(C)nc2c1 ZINC000058407807 558925105 /nfs/dbraw/zinc/92/51/05/558925105.db2.gz VPPSVJFKVGKGFF-UHFFFAOYSA-N 1 2 409.287 4.192 50 0 HIAALO COc1ccc(-n2cc(C[N@H+](C)Cc3nnc(C)o3)c(-c3cccc(F)c3)n2)cc1 ZINC000019634760 558947555 /nfs/dbraw/zinc/94/75/55/558947555.db2.gz WUSCYACFLVKNAN-UHFFFAOYSA-N 1 2 407.449 4.010 50 0 HIAALO COc1ccc(-n2cc(C[N@@H+](C)Cc3nnc(C)o3)c(-c3cccc(F)c3)n2)cc1 ZINC000019634760 558947557 /nfs/dbraw/zinc/94/75/57/558947557.db2.gz WUSCYACFLVKNAN-UHFFFAOYSA-N 1 2 407.449 4.010 50 0 HIAALO CC1CCN(C(=O)c2ccc3cc[nH+]c(N4CCN(c5ccccc5)CC4)c3c2)CC1 ZINC000064667900 558965120 /nfs/dbraw/zinc/96/51/20/558965120.db2.gz UGBUHVBOANNMCH-UHFFFAOYSA-N 1 2 414.553 4.434 50 0 HIAALO Cc1ccc(Oc2nccnc2Sc2ccccc2C(=O)N2CC[NH+](C)CC2)cc1 ZINC000033289213 559044593 /nfs/dbraw/zinc/04/45/93/559044593.db2.gz MIEGUJOQFLSENO-UHFFFAOYSA-N 1 2 420.538 4.116 50 0 HIAALO Cc1ccc(C)c(NC(=O)[C@H](Sc2[nH+]cnc3c2cnn3C)c2ccccc2)c1 ZINC000011676965 559173009 /nfs/dbraw/zinc/17/30/09/559173009.db2.gz UVXOKVMDHYZPJM-LJQANCHMSA-N 1 2 403.511 4.452 50 0 HIAALO O=C(NC1CCCC1)C1CCN(c2[nH+]c3ccccc3n2Cc2ccccc2F)CC1 ZINC000004911510 559202861 /nfs/dbraw/zinc/20/28/61/559202861.db2.gz QXBVCJFQOLEPSQ-UHFFFAOYSA-N 1 2 420.532 4.499 50 0 HIAALO O=C(Nc1ccc(-c2cc[nH]n2)cc1)[C@H]1CCC[N@@H+](Cc2c(F)ccc(F)c2F)C1 ZINC000011935825 559268643 /nfs/dbraw/zinc/26/86/43/559268643.db2.gz UNAQTRYZFHWIFL-HNNXBMFYSA-N 1 2 414.431 4.345 50 0 HIAALO O=C(Nc1ccc(-c2cc[nH]n2)cc1)[C@H]1CCC[N@H+](Cc2c(F)ccc(F)c2F)C1 ZINC000011935825 559268645 /nfs/dbraw/zinc/26/86/45/559268645.db2.gz UNAQTRYZFHWIFL-HNNXBMFYSA-N 1 2 414.431 4.345 50 0 HIAALO Cc1ccc(Cc2c(C)[nH+]c(C)nc2N2CCN(C(=O)C3CCCCC3)CC2)cc1 ZINC000033874154 559276312 /nfs/dbraw/zinc/27/63/12/559276312.db2.gz SBUXQHPXFFBMLI-UHFFFAOYSA-N 1 2 406.574 4.222 50 0 HIAALO C[C@H](c1ccccc1)[N@H+](CC(N)=O)Cc1cc(Cl)ccc1OCc1cccnc1 ZINC000079098192 560541226 /nfs/dbraw/zinc/54/12/26/560541226.db2.gz DKOWRJUMUFFOQU-QGZVFWFLSA-N 1 2 409.917 4.363 50 0 HIAALO C[C@H](c1ccccc1)[N@@H+](CC(N)=O)Cc1cc(Cl)ccc1OCc1cccnc1 ZINC000079098192 560541228 /nfs/dbraw/zinc/54/12/28/560541228.db2.gz DKOWRJUMUFFOQU-QGZVFWFLSA-N 1 2 409.917 4.363 50 0 HIAALO C(=C1\CCC=C1N1CCOCC1)\c1ccc(/C=C2\CCC=C2[NH+]2CCOCC2)cc1 ZINC000002066735 560584196 /nfs/dbraw/zinc/58/41/96/560584196.db2.gz VXFBQRRBCNVMGF-BLVCXSLXSA-N 1 2 404.554 4.473 50 0 HIAALO CCc1[nH+]c2ccccc2n1C[C@@H](O)COc1ccccc1C(=O)Nc1ccccc1 ZINC000005586163 560626578 /nfs/dbraw/zinc/62/65/78/560626578.db2.gz XBWBDVDNSPUZMC-LJQANCHMSA-N 1 2 415.493 4.291 50 0 HIAALO CCOc1ccc([C@H](C2Sc3nc(C)nn3C2=O)[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000017307528 560707675 /nfs/dbraw/zinc/70/76/75/560707675.db2.gz AFKUFBSBDGUBHE-QWQRMKEZSA-N 1 2 400.548 4.271 50 0 HIAALO CCOc1ccc([C@H](C2Sc3nc(C)nn3C2=O)[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000017307528 560707677 /nfs/dbraw/zinc/70/76/77/560707677.db2.gz AFKUFBSBDGUBHE-QWQRMKEZSA-N 1 2 400.548 4.271 50 0 HIAALO C[C@@H](NC(=O)COc1ccc(Br)cc1F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000018047772 560773966 /nfs/dbraw/zinc/77/39/66/560773966.db2.gz VBTOWUNUGSSMJC-CYBMUJFWSA-N 1 2 418.266 4.030 50 0 HIAALO C[N@H+](Cc1nc(C(C)(C)NC(=O)OC(C)(C)C)no1)[C@@H]1CCCc2ccccc21 ZINC000048302077 568437526 /nfs/dbraw/zinc/43/75/26/568437526.db2.gz GLXBVHCNGFAWKY-QGZVFWFLSA-N 1 2 400.523 4.339 50 0 HIAALO C[N@@H+](Cc1nc(C(C)(C)NC(=O)OC(C)(C)C)no1)[C@@H]1CCCc2ccccc21 ZINC000048302077 568437527 /nfs/dbraw/zinc/43/75/27/568437527.db2.gz GLXBVHCNGFAWKY-QGZVFWFLSA-N 1 2 400.523 4.339 50 0 HIAALO O=C(C[N@@H+]1CCC[C@H]1c1nnc2ccccn21)N(c1ccccc1)C1CCCCC1 ZINC000048314423 568437931 /nfs/dbraw/zinc/43/79/31/568437931.db2.gz FGVJABSIOZQIPS-NRFANRHFSA-N 1 2 403.530 4.232 50 0 HIAALO O=C(C[N@H+]1CCC[C@H]1c1nnc2ccccn21)N(c1ccccc1)C1CCCCC1 ZINC000048314423 568437932 /nfs/dbraw/zinc/43/79/32/568437932.db2.gz FGVJABSIOZQIPS-NRFANRHFSA-N 1 2 403.530 4.232 50 0 HIAALO O=S(=O)(CC[N@H+]1CCC[C@@H]1c1ccc(O)cc1)c1cc(Cl)ccc1Cl ZINC000048324774 568438377 /nfs/dbraw/zinc/43/83/77/568438377.db2.gz PDXLPIBIRQPDBM-QGZVFWFLSA-N 1 2 400.327 4.310 50 0 HIAALO O=S(=O)(CC[N@@H+]1CCC[C@@H]1c1ccc(O)cc1)c1cc(Cl)ccc1Cl ZINC000048324774 568438379 /nfs/dbraw/zinc/43/83/79/568438379.db2.gz PDXLPIBIRQPDBM-QGZVFWFLSA-N 1 2 400.327 4.310 50 0 HIAALO COc1ccc(-c2nn(C[N@@H+]3CCCN(c4ccc(C)cc4)CC3)c(=S)[nH]2)cc1 ZINC000048354179 568441073 /nfs/dbraw/zinc/44/10/73/568441073.db2.gz APZAYAJHHPOUGD-UHFFFAOYSA-N 1 2 409.559 4.095 50 0 HIAALO COc1ccc(-c2nn(C[N@H+]3CCCN(c4ccc(C)cc4)CC3)c(=S)[nH]2)cc1 ZINC000048354179 568441074 /nfs/dbraw/zinc/44/10/74/568441074.db2.gz APZAYAJHHPOUGD-UHFFFAOYSA-N 1 2 409.559 4.095 50 0 HIAALO Cc1cccc(-c2noc(C3CC[NH+](CC(=O)Nc4cc(F)ccc4C)CC3)n2)c1 ZINC000049403239 568448212 /nfs/dbraw/zinc/44/82/12/568448212.db2.gz SGBGEYCVTUDEPS-UHFFFAOYSA-N 1 2 408.477 4.311 50 0 HIAALO Cc1ccc(C)c(NC(=S)N(CCC[NH+]2CCOCC2)Cc2cccs2)c1 ZINC000020107792 568588292 /nfs/dbraw/zinc/58/82/92/568588292.db2.gz BZLCELUNHZJOLU-UHFFFAOYSA-N 1 2 403.617 4.286 50 0 HIAALO O=C(c1cc(Br)ccc1Cl)N1CC([N@@H+]2CCc3sccc3C2)C1 ZINC000390827846 568591623 /nfs/dbraw/zinc/59/16/23/568591623.db2.gz LBFOBAJEURDGEP-UHFFFAOYSA-N 1 2 411.752 4.047 50 0 HIAALO O=C(c1cc(Br)ccc1Cl)N1CC([N@H+]2CCc3sccc3C2)C1 ZINC000390827846 568591624 /nfs/dbraw/zinc/59/16/24/568591624.db2.gz LBFOBAJEURDGEP-UHFFFAOYSA-N 1 2 411.752 4.047 50 0 HIAALO Cc1ccccc1C(=O)N[C@H](C(=O)Nc1c[nH+]c(N2CCCCC2)c(C)c1)C(C)C ZINC000095462455 568621570 /nfs/dbraw/zinc/62/15/70/568621570.db2.gz USQHCLXQVHLEDT-NRFANRHFSA-N 1 2 408.546 4.082 50 0 HIAALO Cn1cc[nH+]c1[C@@H](NC(=O)c1cc(Br)ccc1Cl)c1ccc(F)cc1 ZINC000029027920 568643941 /nfs/dbraw/zinc/64/39/41/568643941.db2.gz NHXYTQCEVMQZPP-INIZCTEOSA-N 1 2 422.685 4.495 50 0 HIAALO O=C(COc1ccc(Cl)cc1)NC[C@@H](c1cccnc1)[N@@H+]1CCc2ccccc2C1 ZINC000020902044 568650039 /nfs/dbraw/zinc/65/00/39/568650039.db2.gz WTKHSKXLPSDWQL-QHCPKHFHSA-N 1 2 421.928 4.030 50 0 HIAALO O=C(COc1ccc(Cl)cc1)NC[C@@H](c1cccnc1)[N@H+]1CCc2ccccc2C1 ZINC000020902044 568650041 /nfs/dbraw/zinc/65/00/41/568650041.db2.gz WTKHSKXLPSDWQL-QHCPKHFHSA-N 1 2 421.928 4.030 50 0 HIAALO C[C@H](c1ccccn1)[NH+]1CCN(C(=O)c2cc3c(s2)-c2ccccc2CC3)CC1 ZINC000095943201 568662578 /nfs/dbraw/zinc/66/25/78/568662578.db2.gz ZPMNDZXAKVQCMZ-QGZVFWFLSA-N 1 2 403.551 4.428 50 0 HIAALO CN(C[C@@H]1CCC[N@H+](Cc2c(Cl)n(C)nc2C(F)(F)F)C1)C(=O)OC(C)(C)C ZINC000096006921 568683264 /nfs/dbraw/zinc/68/32/64/568683264.db2.gz MXDBQMMMIZMJNM-LBPRGKRZSA-N 1 2 424.895 4.171 50 0 HIAALO CN(C[C@@H]1CCC[N@@H+](Cc2c(Cl)n(C)nc2C(F)(F)F)C1)C(=O)OC(C)(C)C ZINC000096006921 568683265 /nfs/dbraw/zinc/68/32/65/568683265.db2.gz MXDBQMMMIZMJNM-LBPRGKRZSA-N 1 2 424.895 4.171 50 0 HIAALO Cc1cccc(S(=O)(=O)Nc2ccccc2CCc2[nH+]c3ccccc3n2C)c1 ZINC000021357172 568688264 /nfs/dbraw/zinc/68/82/64/568688264.db2.gz LPMDPTNHAHHHNB-UHFFFAOYSA-N 1 2 405.523 4.468 50 0 HIAALO O=C(C[C@@H](c1c[nH]c2ccc(Cl)cc21)C1CCCCC1)NCC[NH+]1CCOCC1 ZINC000096276669 568715580 /nfs/dbraw/zinc/71/55/80/568715580.db2.gz FCQDPANCCLRLJR-LJQANCHMSA-N 1 2 417.981 4.324 50 0 HIAALO CCN(CC)C(=O)[C@@H](c1ccccc1)[NH+]1CCN(Cc2nc3ccccc3s2)CC1 ZINC000096311022 568724685 /nfs/dbraw/zinc/72/46/85/568724685.db2.gz LQOJQEAIJQFQAS-HSZRJFAPSA-N 1 2 422.598 4.024 50 0 HIAALO C[C@@H](c1nnc(-c2ccccc2)o1)[NH+]1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000096311015 568724717 /nfs/dbraw/zinc/72/47/17/568724717.db2.gz HDOMHGFNDBELQV-HNNXBMFYSA-N 1 2 400.885 4.408 50 0 HIAALO CCC(=O)N1CCN(c2nc(C3CC3)[nH+]c(C)c2Cc2c(F)cccc2Cl)CC1 ZINC000096317351 568726592 /nfs/dbraw/zinc/72/65/92/568726592.db2.gz PSTBWZLMPPNLDQ-UHFFFAOYSA-N 1 2 416.928 4.104 50 0 HIAALO Cc1nc(N2CCN(C(=O)CC(C)C)CC2)c(Cc2ccc(F)cc2)c(C(C)C)[nH+]1 ZINC000096317698 568726807 /nfs/dbraw/zinc/72/68/07/568726807.db2.gz WKHMSRQYYMBCGC-UHFFFAOYSA-N 1 2 412.553 4.333 50 0 HIAALO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)[NH+]1CCC(F)(c2ccccn2)CC1 ZINC000241231296 568731003 /nfs/dbraw/zinc/73/10/03/568731003.db2.gz KTSRYEYRRHTAJS-LJQANCHMSA-N 1 2 421.520 4.172 50 0 HIAALO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)[NH+]1CCC(F)(c2ccccn2)CC1 ZINC000241231295 568731069 /nfs/dbraw/zinc/73/10/69/568731069.db2.gz KTSRYEYRRHTAJS-IBGZPJMESA-N 1 2 421.520 4.172 50 0 HIAALO O=C(Nc1ccc(Cl)cc1)C1CC[NH+](Cc2noc(-c3ccc(F)cc3)n2)CC1 ZINC000021724240 568751021 /nfs/dbraw/zinc/75/10/21/568751021.db2.gz JSVHDZUJPOIRSZ-UHFFFAOYSA-N 1 2 414.868 4.380 50 0 HIAALO CCOc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3noc(-c4ccc(C)cc4)n3)C2)cc1 ZINC000021724790 568751420 /nfs/dbraw/zinc/75/14/20/568751420.db2.gz HVAZSJNNWJOEHC-IBGZPJMESA-N 1 2 420.513 4.294 50 0 HIAALO CCOc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3noc(-c4ccc(C)cc4)n3)C2)cc1 ZINC000021724790 568751421 /nfs/dbraw/zinc/75/14/21/568751421.db2.gz HVAZSJNNWJOEHC-IBGZPJMESA-N 1 2 420.513 4.294 50 0 HIAALO Cc1ccc(C(=O)Nc2ccc(Nc3cc(N4CCOCC4)[nH+]c(C)n3)cc2)cc1C ZINC000021794444 568753507 /nfs/dbraw/zinc/75/35/07/568753507.db2.gz BWJSUGCHVVBFTQ-UHFFFAOYSA-N 1 2 417.513 4.234 50 0 HIAALO Cc1nc(Nc2ccc(NS(=O)(=O)c3ccccc3)cc2)cc(N2CCCCC2)[nH+]1 ZINC000021794833 568753793 /nfs/dbraw/zinc/75/37/93/568753793.db2.gz SUHFGLUXTKWHFH-UHFFFAOYSA-N 1 2 423.542 4.320 50 0 HIAALO COc1ccc([C@@H]2CCC[N@@H+]2Cc2nc3c4ccccc4oc3c(=O)[nH]2)c(OC)c1 ZINC000028726186 568804220 /nfs/dbraw/zinc/80/42/20/568804220.db2.gz IHWFFEISYWINKI-KRWDZBQOSA-N 1 2 405.454 4.436 50 0 HIAALO COc1ccc([C@@H]2CCC[N@H+]2Cc2nc3c4ccccc4oc3c(=O)[nH]2)c(OC)c1 ZINC000028726186 568804223 /nfs/dbraw/zinc/80/42/23/568804223.db2.gz IHWFFEISYWINKI-KRWDZBQOSA-N 1 2 405.454 4.436 50 0 HIAALO Fc1ccc(Cn2nc(C[NH2+]Cc3nc4ccccc4[nH]3)c(-c3ccccc3)n2)cc1 ZINC000261492019 568820419 /nfs/dbraw/zinc/82/04/19/568820419.db2.gz PPDBHQUEADNUIE-UHFFFAOYSA-N 1 2 412.472 4.299 50 0 HIAALO CCOc1ccccc1N1CCN(c2cc(Sc3ccc(C)cc3)[nH+]c(N)n2)CC1 ZINC000063115307 568824758 /nfs/dbraw/zinc/82/47/58/568824758.db2.gz VUFLOVAXYUDKOF-UHFFFAOYSA-N 1 2 421.570 4.244 50 0 HIAALO COc1cccc([C@H](NC(=O)COc2cc(C)ccc2C(C)C)c2[nH+]ccn2C)c1 ZINC000012541405 568848523 /nfs/dbraw/zinc/84/85/23/568848523.db2.gz JDJTYJDMUUOXKT-QHCPKHFHSA-N 1 2 407.514 4.145 50 0 HIAALO COc1c(Cl)cc(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccc(F)cc2)cc1Cl ZINC000012574863 568862338 /nfs/dbraw/zinc/86/23/38/568862338.db2.gz XVFSTLLNFGDYBY-MRXNPFEDSA-N 1 2 408.260 4.394 50 0 HIAALO CCc1[nH+]c(SC[C@H](O)COc2ccccc2)nc(N)c1-c1ccc(Cl)cc1 ZINC000012606484 568871391 /nfs/dbraw/zinc/87/13/91/568871391.db2.gz NNRNUNNQYYNGCV-MRXNPFEDSA-N 1 2 415.946 4.474 50 0 HIAALO O=c1c2c(-c3cccs3)csc2nc(C[NH+]2CCCCC2)n1C[C@@H]1CCCO1 ZINC000012613987 568871760 /nfs/dbraw/zinc/87/17/60/568871760.db2.gz KNRSHGGCVWHVAR-HNNXBMFYSA-N 1 2 415.584 4.351 50 0 HIAALO COCCn1ccc2c1cccc2OCC(=O)Nc1ccc2[nH]c(CC(C)C)[nH+]c2c1 ZINC000263588156 568883450 /nfs/dbraw/zinc/88/34/50/568883450.db2.gz PWFVJDMLBHKJOQ-UHFFFAOYSA-N 1 2 420.513 4.380 50 0 HIAALO O=C(c1ccc2[nH]cnc2c1)N1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000031164928 568916730 /nfs/dbraw/zinc/91/67/30/568916730.db2.gz YRFUXFCKNPLJCJ-UHFFFAOYSA-N 1 2 420.513 4.389 50 0 HIAALO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)N[C@H](C)c3cc(C)ccc3OC)c2C1 ZINC000012783146 568958516 /nfs/dbraw/zinc/95/85/16/568958516.db2.gz JZKOXDPIINGMKF-QGZVFWFLSA-N 1 2 403.526 4.421 50 0 HIAALO CC[N@H+]1CCc2nc3ccccc3c(C(=O)N[C@H](C)c3cc(C)ccc3OC)c2C1 ZINC000012783146 568958518 /nfs/dbraw/zinc/95/85/18/568958518.db2.gz JZKOXDPIINGMKF-QGZVFWFLSA-N 1 2 403.526 4.421 50 0 HIAALO Cc1ccc(S(=O)(=O)Nc2ccc(Nc3cc(N(C)C)[nH+]c(C)n3)cc2)cc1C ZINC000015671318 568961816 /nfs/dbraw/zinc/96/18/16/568961816.db2.gz ICSOCDTUASKPSK-UHFFFAOYSA-N 1 2 411.531 4.012 50 0 HIAALO Cc1[nH+]c2ccccc2n1CCNC(=O)c1cc(C(C)C)nc2c1cnn2C(C)C ZINC000008135284 568976742 /nfs/dbraw/zinc/97/67/42/568976742.db2.gz BLADWPURSJTJOS-UHFFFAOYSA-N 1 2 404.518 4.224 50 0 HIAALO Cc1[nH+]c2ccccc2n1CCNC(=O)c1cccc(NC(=O)c2cccs2)c1 ZINC000008135782 568976955 /nfs/dbraw/zinc/97/69/55/568976955.db2.gz HUTRAFNCEOZSSC-UHFFFAOYSA-N 1 2 404.495 4.089 50 0 HIAALO C[C@H](NC(=O)c1ccc(OCc2cscn2)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000008159492 568978771 /nfs/dbraw/zinc/97/87/71/568978771.db2.gz GRTUHHYSBIYMHE-INIZCTEOSA-N 1 2 404.495 4.399 50 0 HIAALO COc1cccc(NC(=O)[C@H](c2ccccc2)[N@H+](C)Cc2ccc3c(c2)OCCO3)c1 ZINC000008225929 568983296 /nfs/dbraw/zinc/98/32/96/568983296.db2.gz LSGFVYOUCRKQTB-DEOSSOPVSA-N 1 2 418.493 4.278 50 0 HIAALO COc1cccc(NC(=O)[C@H](c2ccccc2)[N@@H+](C)Cc2ccc3c(c2)OCCO3)c1 ZINC000008225929 568983298 /nfs/dbraw/zinc/98/32/98/568983298.db2.gz LSGFVYOUCRKQTB-DEOSSOPVSA-N 1 2 418.493 4.278 50 0 HIAALO O=C(C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2)Nc1ccc(F)c(Cl)c1 ZINC000008310280 568988564 /nfs/dbraw/zinc/98/85/64/568988564.db2.gz CCNIVSQYYOMLDK-SFHVURJKSA-N 1 2 404.869 4.416 50 0 HIAALO O=C(C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2)Nc1ccc(F)c(Cl)c1 ZINC000008310280 568988565 /nfs/dbraw/zinc/98/85/65/568988565.db2.gz CCNIVSQYYOMLDK-SFHVURJKSA-N 1 2 404.869 4.416 50 0 HIAALO C[C@H](Sc1nnc(C[NH+]2CCCC2)n1Cc1ccccc1)C(=O)Nc1ccccc1 ZINC000008340583 568993374 /nfs/dbraw/zinc/99/33/74/568993374.db2.gz CRWDGYYVECMKNP-SFHVURJKSA-N 1 2 421.570 4.042 50 0 HIAALO COc1ccc(-c2nc(C)c(C(=O)N3CC[NH+](Cc4ccccc4)CC3)s2)cc1 ZINC000012857823 569011218 /nfs/dbraw/zinc/01/12/18/569011218.db2.gz ROFZWDAORVLBMK-UHFFFAOYSA-N 1 2 407.539 4.085 50 0 HIAALO Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)[NH+]1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC000053517348 569031244 /nfs/dbraw/zinc/03/12/44/569031244.db2.gz BEHIJEVMRUKYIM-MRXNPFEDSA-N 1 2 402.498 4.028 50 0 HIAALO C[C@H](NC(=O)C[NH+]1CCN(c2ccc(O)cc2)CC1)c1ccc(-c2ccccc2)cc1 ZINC000035338902 569033159 /nfs/dbraw/zinc/03/31/59/569033159.db2.gz SUHOJVYBPWMHIO-FQEVSTJZSA-N 1 2 415.537 4.059 50 0 HIAALO O=C(C[N@H+]1CC=C(c2cnn(-c3ccccc3)c2)CC1)NCc1ccc(F)c(Cl)c1 ZINC000035404385 569035668 /nfs/dbraw/zinc/03/56/68/569035668.db2.gz YXDRUNPJLLDZKJ-UHFFFAOYSA-N 1 2 424.907 4.070 50 0 HIAALO O=C(C[N@@H+]1CC=C(c2cnn(-c3ccccc3)c2)CC1)NCc1ccc(F)c(Cl)c1 ZINC000035404385 569035669 /nfs/dbraw/zinc/03/56/69/569035669.db2.gz YXDRUNPJLLDZKJ-UHFFFAOYSA-N 1 2 424.907 4.070 50 0 HIAALO C[N@@H+]1C[C@H](c2ccc(F)cc2)[C@H](C(=O)c2cccs2)[C@]12C(=O)Nc1ccccc12 ZINC000035485656 569039801 /nfs/dbraw/zinc/03/98/01/569039801.db2.gz UQQFASCNTIPMOW-AYPBNUJASA-N 1 2 406.482 4.263 50 0 HIAALO C[N@H+]1C[C@H](c2ccc(F)cc2)[C@H](C(=O)c2cccs2)[C@]12C(=O)Nc1ccccc12 ZINC000035485656 569039802 /nfs/dbraw/zinc/03/98/02/569039802.db2.gz UQQFASCNTIPMOW-AYPBNUJASA-N 1 2 406.482 4.263 50 0 HIAALO O=C(Cn1c2ccccc2[nH+]c1N1CCN(c2ccc(F)cc2)CC1)c1ccccc1 ZINC000006315695 569040236 /nfs/dbraw/zinc/04/02/36/569040236.db2.gz BGSCTUICNHOITP-UHFFFAOYSA-N 1 2 414.484 4.385 50 0 HIAALO O=C(/C=C/c1ccc2c(c1)OCO2)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000016237438 569046253 /nfs/dbraw/zinc/04/62/53/569046253.db2.gz GDBHOHYOYROUAU-VQHVLOKHSA-N 1 2 419.506 4.082 50 0 HIAALO O=C(/C=C/c1ccc2c(c1)OCO2)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000016237438 569046254 /nfs/dbraw/zinc/04/62/54/569046254.db2.gz GDBHOHYOYROUAU-VQHVLOKHSA-N 1 2 419.506 4.082 50 0 HIAALO COC(=O)c1ccc2c(c1)nc(C[NH+]1CCC(CCc3ccc(C)cc3)CC1)[nH]c2=O ZINC000012997300 569048376 /nfs/dbraw/zinc/04/83/76/569048376.db2.gz VTTIGCYTGHKGOW-UHFFFAOYSA-N 1 2 419.525 4.275 50 0 HIAALO C[C@@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CC(c2nc3ccccc3s2)C1 ZINC000089518930 569062723 /nfs/dbraw/zinc/06/27/23/569062723.db2.gz FTOKTFBHWYNGMI-LBPRGKRZSA-N 1 2 416.344 4.485 50 0 HIAALO Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)N(C)[C@H](C)c3ccncc3)csc2C1 ZINC000426707486 569074001 /nfs/dbraw/zinc/07/40/01/569074001.db2.gz UNSYAZPHEIQZIU-OAHLLOKOSA-N 1 2 410.543 4.139 50 0 HIAALO Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)N(C)[C@H](C)c3ccncc3)csc2C1 ZINC000426707486 569074002 /nfs/dbraw/zinc/07/40/02/569074002.db2.gz UNSYAZPHEIQZIU-OAHLLOKOSA-N 1 2 410.543 4.139 50 0 HIAALO CC[C@@H](C)CN1C(=O)[C@H](CC(C)C)[NH2+]C12CCN(C(=O)Nc1cccc(F)c1)CC2 ZINC000036032712 569079983 /nfs/dbraw/zinc/07/99/83/569079983.db2.gz RRSBYIRBKPNZIM-XLIONFOSSA-N 1 2 418.557 4.042 50 0 HIAALO Cc1ccc(Nc2nc(N3CCN(C(=O)c4cccc(C)c4)CC3)cc(C)[nH+]2)cc1 ZINC000064799919 569097306 /nfs/dbraw/zinc/09/73/06/569097306.db2.gz CWMHXDUIKILNKT-UHFFFAOYSA-N 1 2 401.514 4.108 50 0 HIAALO Cc1cccc(-c2noc(C3CC[NH+](CC(=O)Nc4ccc(C)cc4F)CC3)n2)c1 ZINC000065184134 569191178 /nfs/dbraw/zinc/19/11/78/569191178.db2.gz VEDDEDCBXBGNJW-UHFFFAOYSA-N 1 2 408.477 4.311 50 0 HIAALO COc1ccc(NC(=O)c2cc3c(n2C)CC[N@H+](Cc2cccc(F)c2)C3)c(C)c1 ZINC000065211126 569196298 /nfs/dbraw/zinc/19/62/98/569196298.db2.gz SEERSOQPMIJPOV-UHFFFAOYSA-N 1 2 407.489 4.292 50 0 HIAALO COc1ccc(NC(=O)c2cc3c(n2C)CC[N@@H+](Cc2cccc(F)c2)C3)c(C)c1 ZINC000065211126 569196300 /nfs/dbraw/zinc/19/63/00/569196300.db2.gz SEERSOQPMIJPOV-UHFFFAOYSA-N 1 2 407.489 4.292 50 0 HIAALO CCCNc1cc(N2CCC[C@H](CCC(=O)Nc3ccc(OCC)cc3)C2)nc[nH+]1 ZINC000065244828 569204684 /nfs/dbraw/zinc/20/46/84/569204684.db2.gz VLBRVBZLXQFFNH-GOSISDBHSA-N 1 2 411.550 4.333 50 0 HIAALO CCCNc1cc(N2CCC[C@H](CCC(=O)Nc3ccc(OCC)cc3)C2)[nH+]cn1 ZINC000065244828 569204686 /nfs/dbraw/zinc/20/46/86/569204686.db2.gz VLBRVBZLXQFFNH-GOSISDBHSA-N 1 2 411.550 4.333 50 0 HIAALO CCCNc1cc(N2CCC[C@H](CCC(=O)Nc3cc(C)ccc3OC)C2)nc[nH+]1 ZINC000065242414 569204763 /nfs/dbraw/zinc/20/47/63/569204763.db2.gz HYSYUPBBOYMTHE-GOSISDBHSA-N 1 2 411.550 4.251 50 0 HIAALO CCCNc1cc(N2CCC[C@H](CCC(=O)Nc3cc(C)ccc3OC)C2)[nH+]cn1 ZINC000065242414 569204764 /nfs/dbraw/zinc/20/47/64/569204764.db2.gz HYSYUPBBOYMTHE-GOSISDBHSA-N 1 2 411.550 4.251 50 0 HIAALO C[C@@H](NC(=O)CC[C@H]1CCCN(c2cc(NC3CC3)[nH+]cn2)C1)c1ccc(F)cc1 ZINC000065245349 569205172 /nfs/dbraw/zinc/20/51/72/569205172.db2.gz CCSVBNHXQNNBFD-IAGOWNOFSA-N 1 2 411.525 4.064 50 0 HIAALO C[C@@H](NC(=O)CC[C@H]1CCCN(c2cc(NC3CC3)nc[nH+]2)C1)c1ccc(F)cc1 ZINC000065245349 569205173 /nfs/dbraw/zinc/20/51/73/569205173.db2.gz CCSVBNHXQNNBFD-IAGOWNOFSA-N 1 2 411.525 4.064 50 0 HIAALO COc1ccc(NC(=O)CC[C@H]2CCCN(c3cc(NC4CC4)[nH+]cn3)C2)c(C)c1 ZINC000065245305 569205212 /nfs/dbraw/zinc/20/52/12/569205212.db2.gz ANYUVJXVUOTMMY-QGZVFWFLSA-N 1 2 409.534 4.003 50 0 HIAALO COc1ccc(NC(=O)CC[C@H]2CCCN(c3cc(NC4CC4)nc[nH+]3)C2)c(C)c1 ZINC000065245305 569205213 /nfs/dbraw/zinc/20/52/13/569205213.db2.gz ANYUVJXVUOTMMY-QGZVFWFLSA-N 1 2 409.534 4.003 50 0 HIAALO CCCNc1cc(N2CCC(CCC(=O)Nc3cc(C)ccc3OC)CC2)nc[nH+]1 ZINC000065274250 569215146 /nfs/dbraw/zinc/21/51/46/569215146.db2.gz RPGFDTKYQZJEFR-UHFFFAOYSA-N 1 2 411.550 4.251 50 0 HIAALO CCCNc1cc(N2CCC(CCC(=O)Nc3cc(C)ccc3OC)CC2)[nH+]cn1 ZINC000065274250 569215147 /nfs/dbraw/zinc/21/51/47/569215147.db2.gz RPGFDTKYQZJEFR-UHFFFAOYSA-N 1 2 411.550 4.251 50 0 HIAALO Cc1cc(C(=O)N2CC[NH+](CCc3nc(-c4cccs4)cs3)CC2)c(C)o1 ZINC000036709032 569223859 /nfs/dbraw/zinc/22/38/59/569223859.db2.gz HNBXPIJZPFSIKU-UHFFFAOYSA-N 1 2 401.557 4.082 50 0 HIAALO CSc1cc(C(=O)NCc2ccc(C[NH+]3CCOCC3)o2)c(Cl)cc1Cl ZINC000170595037 569241540 /nfs/dbraw/zinc/24/15/40/569241540.db2.gz HIMBQRIWYWOMLI-UHFFFAOYSA-N 1 2 415.342 4.071 50 0 HIAALO c1cc(-c2nc3ccccc3c(NCc3ccc(C[NH+]4CCOCC4)o3)n2)cs1 ZINC000170595665 569241669 /nfs/dbraw/zinc/24/16/69/569241669.db2.gz CECJXBYXEFEKRD-UHFFFAOYSA-N 1 2 406.511 4.396 50 0 HIAALO CCOc1ccccc1NC(=O)[C@H]([NH2+]Cc1cn2ccccc2n1)c1ccccc1 ZINC000009909669 569251681 /nfs/dbraw/zinc/25/16/81/569251681.db2.gz GWULXVKQVXRDEG-HSZRJFAPSA-N 1 2 400.482 4.203 50 0 HIAALO C[C@@H](CCc1ccccc1)NC(=O)NCc1ccc(N2CCc3ccccc3C2)[nH+]c1 ZINC000071818678 569254497 /nfs/dbraw/zinc/25/44/97/569254497.db2.gz ZUOCJOOYBKDIFA-FQEVSTJZSA-N 1 2 414.553 4.465 50 0 HIAALO Cc1onc(-c2ccccc2)c1-c1nnc(C[N@@H+](C)Cc2ccc3c(c2)OCO3)o1 ZINC000007805090 569311780 /nfs/dbraw/zinc/31/17/80/569311780.db2.gz LWMIWQYMSYILFD-UHFFFAOYSA-N 1 2 404.426 4.061 50 0 HIAALO Cc1onc(-c2ccccc2)c1-c1nnc(C[N@H+](C)Cc2ccc3c(c2)OCO3)o1 ZINC000007805090 569311782 /nfs/dbraw/zinc/31/17/82/569311782.db2.gz LWMIWQYMSYILFD-UHFFFAOYSA-N 1 2 404.426 4.061 50 0 HIAALO O=C(Nc1nc(-c2cccnc2)cs1)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000079075888 569426950 /nfs/dbraw/zinc/42/69/50/569426950.db2.gz VNGXXIGUIIFONF-VQTJNVASSA-N 1 2 416.510 4.452 50 0 HIAALO COc1ccc(CCNc2c(C(=O)N3CCCC3)c[nH+]c3ccc(F)cc32)cc1OC ZINC000067288279 571066190 /nfs/dbraw/zinc/06/61/90/571066190.db2.gz MDMCLTBSXGUVJD-UHFFFAOYSA-N 1 2 423.488 4.282 50 0 HIAALO COc1ccc(C(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1Br ZINC000008724997 571108044 /nfs/dbraw/zinc/10/80/44/571108044.db2.gz XZHKJLHMSOHVRY-ZDUSSCGKSA-N 1 2 400.276 4.134 50 0 HIAALO O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)NCc1ccccc1Cn1cc[nH+]c1 ZINC000040033961 571141388 /nfs/dbraw/zinc/14/13/88/571141388.db2.gz CGYPIQDGZZKMAY-UHFFFAOYSA-N 1 2 420.900 4.489 50 0 HIAALO COC[C@H](C)n1c(=O)c2ccccc2nc1SCc1[nH+]ccn1Cc1ccccc1 ZINC000040067290 571148303 /nfs/dbraw/zinc/14/83/03/571148303.db2.gz ZQZCOLGELGAGSN-KRWDZBQOSA-N 1 2 420.538 4.141 50 0 HIAALO COc1ccc2cc(CNC(=O)NCc3ccc(Cn4cc[nH+]c4)cc3)ccc2c1 ZINC000040071249 571151955 /nfs/dbraw/zinc/15/19/55/571151955.db2.gz RLYQSEIXFFCFJJ-UHFFFAOYSA-N 1 2 400.482 4.093 50 0 HIAALO Cc1cccn2cc(-c3ccc(NC(=O)C[C@H](NC(N)=O)c4ccccc4)cc3)[nH+]c12 ZINC000040119495 571175589 /nfs/dbraw/zinc/17/55/89/571175589.db2.gz HLUPKHWNDZNWGL-FQEVSTJZSA-N 1 2 413.481 4.048 50 0 HIAALO CCCNC(=O)c1cccc(NC(=O)c2c3ccccc3nc3c2C[N@H+](CC)CC3)c1 ZINC000040134395 571187513 /nfs/dbraw/zinc/18/75/13/571187513.db2.gz HHSHHGLYALJVDH-UHFFFAOYSA-N 1 2 416.525 4.005 50 0 HIAALO CCCNC(=O)c1cccc(NC(=O)c2c3ccccc3nc3c2C[N@@H+](CC)CC3)c1 ZINC000040134395 571187514 /nfs/dbraw/zinc/18/75/14/571187514.db2.gz HHSHHGLYALJVDH-UHFFFAOYSA-N 1 2 416.525 4.005 50 0 HIAALO C[C@@H](NC(=O)c1cnn2c1nccc2-c1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000040143555 571194194 /nfs/dbraw/zinc/19/41/94/571194194.db2.gz SRWLGJGEVFYLNP-QGZVFWFLSA-N 1 2 408.465 4.073 50 0 HIAALO Cn1cc[nH+]c1[C@@H](NC(=O)COc1ccccc1Cc1ccccc1)c1ccccc1 ZINC000009515831 571264885 /nfs/dbraw/zinc/26/48/85/571264885.db2.gz SBYUTDFODDFGNX-VWLOTQADSA-N 1 2 411.505 4.296 50 0 HIAALO CCNc1cc(C)[nH+]c(Nc2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc2)n1 ZINC000009572462 571269098 /nfs/dbraw/zinc/26/90/98/571269098.db2.gz MLHUFUKRRRWBJV-UHFFFAOYSA-N 1 2 417.922 4.415 50 0 HIAALO CN(Cc1ccc(Cl)cc1)C(=O)CSc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000009669816 571278467 /nfs/dbraw/zinc/27/84/67/571278467.db2.gz MMRQJXIIEMFDII-UHFFFAOYSA-N 1 2 423.929 4.220 50 0 HIAALO Cc1oc(-c2cc3c(cc2Cl)OCO3)nc1C[N@H+](CCO)Cc1cccs1 ZINC000012055099 845851252 /nfs/dbraw/zinc/85/12/52/845851252.db2.gz HUTOKQBSRQTRMS-UHFFFAOYSA-N 1 2 406.891 4.088 50 0 HIAALO Cc1oc(-c2cc3c(cc2Cl)OCO3)nc1C[N@@H+](CCO)Cc1cccs1 ZINC000012055099 845851254 /nfs/dbraw/zinc/85/12/54/845851254.db2.gz HUTOKQBSRQTRMS-UHFFFAOYSA-N 1 2 406.891 4.088 50 0 HIAALO O[C@@H](Cc1ccccc1)c1ccc2c(c1)C[N@@H+](Cc1ccc3nsnc3c1)CCO2 ZINC000014990036 845996764 /nfs/dbraw/zinc/99/67/64/845996764.db2.gz JTXAELKONWUPLT-QHCPKHFHSA-N 1 2 417.534 4.362 50 0 HIAALO O[C@@H](Cc1ccccc1)c1ccc2c(c1)C[N@H+](Cc1ccc3nsnc3c1)CCO2 ZINC000014990036 845996767 /nfs/dbraw/zinc/99/67/67/845996767.db2.gz JTXAELKONWUPLT-QHCPKHFHSA-N 1 2 417.534 4.362 50 0 HIAALO CCCOc1c(Cl)cc(/C=C\C(=O)N[C@@H]2CCC[C@@H]2n2cc[nH+]c2)cc1OC ZINC000098006981 852650858 /nfs/dbraw/zinc/65/08/58/852650858.db2.gz ZIMMXSJRGRBRQC-JKCVZHOFSA-N 1 2 403.910 4.257 50 0 HIAALO O=C(Nc1ccc(Br)cc1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000432900304 859417363 /nfs/dbraw/zinc/41/73/63/859417363.db2.gz YKYWSORNBPTCGJ-UHFFFAOYSA-N 1 2 403.324 4.393 50 0 HIAALO Cc1ccncc1C(=O)N1CCC(Cc2ccc(COc3cc[nH+]cc3)cc2)CC1 ZINC000575552782 948680304 /nfs/dbraw/zinc/68/03/04/948680304.db2.gz QEQYIYLBYKAZDL-UHFFFAOYSA-N 1 2 401.510 4.459 50 0 HIAALO Cc1cccc(N2CCN(c3[nH+]cnc4c3cnn4-c3ccc(Cl)cc3)CC2)c1C ZINC000001467510 132246779 /nfs/dbraw/zinc/24/67/79/132246779.db2.gz JILZFJOLYJRLMC-UHFFFAOYSA-N 1 2 418.932 4.412 50 0 HIAALO C[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[NH+]1CCN(c2ccccn2)CC1 ZINC000006680420 132313020 /nfs/dbraw/zinc/31/30/20/132313020.db2.gz XPOWAPMOKZQDBR-LJQANCHMSA-N 1 2 402.498 4.023 50 0 HIAALO O=C1c2ccccc2N[C@H](c2ccc(-n3cc[nH+]c3)cc2)N1c1ccc2c(c1)OCO2 ZINC000007128477 132322571 /nfs/dbraw/zinc/32/25/71/132322571.db2.gz HWNXBQAHPIYHNI-QHCPKHFHSA-N 1 2 410.433 4.372 50 0 HIAALO Cc1ccc(Nc2nc(NC3CCCCC3)[nH+]c(N3CCOCC3)n2)cc1Cl ZINC000009762075 132343391 /nfs/dbraw/zinc/34/33/91/132343391.db2.gz YZEHOJQMZRJEIH-UHFFFAOYSA-N 1 2 402.930 4.158 50 0 HIAALO CC(=O)c1c(C)[nH]c(C(=O)NC[C@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)c1C ZINC000032931505 518228105 /nfs/dbraw/zinc/22/81/05/518228105.db2.gz VSWBWZQBOFFHJZ-HXUWFJFHSA-N 1 2 421.566 4.425 50 0 HIAALO CC(=O)c1c(C)[nH]c(C(=O)NC[C@H](c2ccccc2)[N@H+]2CCc3sccc3C2)c1C ZINC000032931505 518228112 /nfs/dbraw/zinc/22/81/12/518228112.db2.gz VSWBWZQBOFFHJZ-HXUWFJFHSA-N 1 2 421.566 4.425 50 0 HIAALO COc1ccc(Br)c(C(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000032970940 523479863 /nfs/dbraw/zinc/47/98/63/523479863.db2.gz OQARUGKKOXVXKZ-ZDUSSCGKSA-N 1 2 400.276 4.134 50 0 HIAALO C[C@H]1CN(c2ccc(CNC(=O)c3cccc(Oc4ccccc4)c3)c[nH+]2)CCO1 ZINC000032930763 524669169 /nfs/dbraw/zinc/66/91/69/524669169.db2.gz RAEDJKKGGXSTIB-SFHVURJKSA-N 1 2 403.482 4.029 50 0 HIAALO COc1ccc(OCC(=O)Nc2ccc(CCc3[nH]c4ccccc4[nH+]3)cc2)cc1 ZINC000032960722 524935795 /nfs/dbraw/zinc/93/57/95/524935795.db2.gz ZXIQTQQNZLFGHT-UHFFFAOYSA-N 1 2 401.466 4.374 50 0 HIAALO Cc1ccc(C(=O)c2ccccc2C(=O)NCc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000032905571 526242129 /nfs/dbraw/zinc/24/21/29/526242129.db2.gz GWCYQPBCYKWZEZ-UHFFFAOYSA-N 1 2 409.489 4.401 50 0 HIAALO O=C(NCCc1cn2ccccc2[nH+]1)NCc1ccc(-c2nc3ccccc3s2)o1 ZINC000032802803 526451020 /nfs/dbraw/zinc/45/10/20/526451020.db2.gz TWWKBKROTXMAPU-UHFFFAOYSA-N 1 2 417.494 4.246 50 0 HIAALO O=C(N[C@H]([NH2+]Cc1ccccc1)C(=O)c1ccccc1)c1ccc(Br)cc1 ZINC000000627971 557023944 /nfs/dbraw/zinc/02/39/44/557023944.db2.gz DGVHPXGPTUIMMY-NRFANRHFSA-N 1 2 423.310 4.178 50 0 HIAALO Cc1nc2n(n1)C(=O)C([C@H](c1cccc(Br)c1)[NH+]1CCC(C)CC1)S2 ZINC000022626131 557080489 /nfs/dbraw/zinc/08/04/89/557080489.db2.gz RQDPGPDJMZMNPT-HNNXBMFYSA-N 1 2 421.364 4.389 50 0 HIAALO Cc1ccc(N2CC[NH+](Cc3ccc(C(=O)NCc4ccc(F)cc4)o3)CC2)cc1C ZINC000034668137 557361647 /nfs/dbraw/zinc/36/16/47/557361647.db2.gz PGWGTCJDYJQYGY-UHFFFAOYSA-N 1 2 421.516 4.288 50 0 HIAALO O=C(C1CCN(c2[nH+]c3ccccc3n2CCc2ccccc2)CC1)N1CCCC1 ZINC000034910086 557475896 /nfs/dbraw/zinc/47/58/96/557475896.db2.gz MOYVFPYCIJVBAR-UHFFFAOYSA-N 1 2 402.542 4.118 50 0 HIAALO COc1cc2c(cc1OC)[C@@H](CNC(=O)CC(C)C)[N@H+](Cc1ccccc1F)CC2 ZINC000034857363 557477643 /nfs/dbraw/zinc/47/76/43/557477643.db2.gz NCNVUULJOSOMPA-OAQYLSRUSA-N 1 2 414.521 4.105 50 0 HIAALO COc1cc2c(cc1OC)[C@@H](CNC(=O)CC(C)C)[N@@H+](Cc1ccccc1F)CC2 ZINC000034857363 557477645 /nfs/dbraw/zinc/47/76/45/557477645.db2.gz NCNVUULJOSOMPA-OAQYLSRUSA-N 1 2 414.521 4.105 50 0 HIAALO COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)c2ccccc12 ZINC000004385845 557549910 /nfs/dbraw/zinc/54/99/10/557549910.db2.gz NWGCNFOLPQDBQJ-INIZCTEOSA-N 1 2 407.495 4.074 50 0 HIAALO O[C@@H](c1ccccn1)C1CC[NH+](Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)CC1 ZINC000011818566 558281781 /nfs/dbraw/zinc/28/17/81/558281781.db2.gz PFOPZLIACQSDJO-LJQANCHMSA-N 1 2 418.419 4.096 50 0 HIAALO S=C(Nc1ccc(Cl)c(Cl)c1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000019800336 558285310 /nfs/dbraw/zinc/28/53/10/558285310.db2.gz PNNVPUVARQFSKQ-UHFFFAOYSA-N 1 2 424.353 4.237 50 0 HIAALO CCCOc1ccc(N2C(=O)C[C@@H]([N@H+]3CC=C(c4ccc(F)cc4)CC3)C2=O)cc1 ZINC000019809440 558286442 /nfs/dbraw/zinc/28/64/42/558286442.db2.gz OHHDQSWMYYGOLN-JOCHJYFZSA-N 1 2 408.473 4.036 50 0 HIAALO CCCOc1ccc(N2C(=O)C[C@@H]([N@@H+]3CC=C(c4ccc(F)cc4)CC3)C2=O)cc1 ZINC000019809440 558286446 /nfs/dbraw/zinc/28/64/46/558286446.db2.gz OHHDQSWMYYGOLN-JOCHJYFZSA-N 1 2 408.473 4.036 50 0 HIAALO O=S(=O)(c1ccc2ccccc2c1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000019889721 558302818 /nfs/dbraw/zinc/30/28/18/558302818.db2.gz MJBZSRMRHAONAY-UHFFFAOYSA-N 1 2 416.546 4.500 50 0 HIAALO CCOc1ccc(-n2c(C[N@@H+]3CCc4ccccc4C3)nc3ccccc3c2=O)cc1 ZINC000019908663 558305914 /nfs/dbraw/zinc/30/59/14/558305914.db2.gz MCJKLGREAFJKGD-UHFFFAOYSA-N 1 2 411.505 4.343 50 0 HIAALO CCOc1ccc(-n2c(C[N@H+]3CCc4ccccc4C3)nc3ccccc3c2=O)cc1 ZINC000019908663 558305916 /nfs/dbraw/zinc/30/59/16/558305916.db2.gz MCJKLGREAFJKGD-UHFFFAOYSA-N 1 2 411.505 4.343 50 0 HIAALO CCOC(=O)c1c2c(sc1NC(=O)c1ccco1)C[N@@H+](Cc1ccccc1)CC2 ZINC000019944193 558314569 /nfs/dbraw/zinc/31/45/69/558314569.db2.gz CGQDMWONQWNSSL-UHFFFAOYSA-N 1 2 410.495 4.328 50 0 HIAALO CCOC(=O)c1c2c(sc1NC(=O)c1ccco1)C[N@H+](Cc1ccccc1)CC2 ZINC000019944193 558314570 /nfs/dbraw/zinc/31/45/70/558314570.db2.gz CGQDMWONQWNSSL-UHFFFAOYSA-N 1 2 410.495 4.328 50 0 HIAALO COCc1ccc(C[N@@H+]2CCOc3ccc([C@@H](O)CCc4ccccc4)cc3C2)o1 ZINC000012206333 558353112 /nfs/dbraw/zinc/35/31/12/558353112.db2.gz QENTYPQFLIOMCS-DEOSSOPVSA-N 1 2 407.510 4.487 50 0 HIAALO COCc1ccc(C[N@H+]2CCOc3ccc([C@@H](O)CCc4ccccc4)cc3C2)o1 ZINC000012206333 558353116 /nfs/dbraw/zinc/35/31/16/558353116.db2.gz QENTYPQFLIOMCS-DEOSSOPVSA-N 1 2 407.510 4.487 50 0 HIAALO COCc1ccc(C[N@@H+]2CCOc3ccc([C@H](O)CCc4ccccc4)cc3C2)o1 ZINC000012206343 558353130 /nfs/dbraw/zinc/35/31/30/558353130.db2.gz QENTYPQFLIOMCS-XMMPIXPASA-N 1 2 407.510 4.487 50 0 HIAALO COCc1ccc(C[N@H+]2CCOc3ccc([C@H](O)CCc4ccccc4)cc3C2)o1 ZINC000012206343 558353133 /nfs/dbraw/zinc/35/31/33/558353133.db2.gz QENTYPQFLIOMCS-XMMPIXPASA-N 1 2 407.510 4.487 50 0 HIAALO CCOC(=O)c1cnn(-c2nc(-c3ccccc3)cs2)c1C[NH2+]Cc1ccco1 ZINC000020451260 558365776 /nfs/dbraw/zinc/36/57/76/558365776.db2.gz MJCKCDLKFMMEAJ-UHFFFAOYSA-N 1 2 408.483 4.055 50 0 HIAALO O=C(N[C@H]1CCCc2c1cnn2-c1ccccc1F)c1ccccc1-c1[nH]cc[nH+]1 ZINC000012306798 558375547 /nfs/dbraw/zinc/37/55/47/558375547.db2.gz SCTXPBKQOSRVAE-IBGZPJMESA-N 1 2 401.445 4.209 50 0 HIAALO Cc1nc(C)c(C[N@@H+]2CCC[C@H]2C(=O)Nc2ccc(-c3cscn3)cc2)nc1C ZINC000012432144 558406506 /nfs/dbraw/zinc/40/65/06/558406506.db2.gz NNLFUFAJVFNOBP-NRFANRHFSA-N 1 2 407.543 4.128 50 0 HIAALO Cc1nc(C)c(C[N@H+]2CCC[C@H]2C(=O)Nc2ccc(-c3cscn3)cc2)nc1C ZINC000012432144 558406508 /nfs/dbraw/zinc/40/65/08/558406508.db2.gz NNLFUFAJVFNOBP-NRFANRHFSA-N 1 2 407.543 4.128 50 0 HIAALO Cc1cc(NC(=O)C[N@@H+](Cc2cccs2)C[C@H]2CCCO2)ccc1Br ZINC000012997475 558498992 /nfs/dbraw/zinc/49/89/92/558498992.db2.gz VIXVSVYKTMZJMR-MRXNPFEDSA-N 1 2 423.376 4.439 50 0 HIAALO Cc1cc(NC(=O)C[N@H+](Cc2cccs2)C[C@H]2CCCO2)ccc1Br ZINC000012997475 558498995 /nfs/dbraw/zinc/49/89/95/558498995.db2.gz VIXVSVYKTMZJMR-MRXNPFEDSA-N 1 2 423.376 4.439 50 0 HIAALO C[N@H+](CC(=O)N1c2ccccc2NC(=O)C1(C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000013040996 558506998 /nfs/dbraw/zinc/50/69/98/558506998.db2.gz DMUMJPODZDOYNJ-UHFFFAOYSA-N 1 2 406.313 4.189 50 0 HIAALO C[N@@H+](CC(=O)N1c2ccccc2NC(=O)C1(C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000013040996 558506999 /nfs/dbraw/zinc/50/69/99/558506999.db2.gz DMUMJPODZDOYNJ-UHFFFAOYSA-N 1 2 406.313 4.189 50 0 HIAALO CC(C)(C)c1ccc([C@]2(C)NC(=O)N(C[N@H+]3CC=C(c4ccccc4)CC3)C2=O)cc1 ZINC000013059095 558509471 /nfs/dbraw/zinc/50/94/71/558509471.db2.gz KHRCRPHLXVNUTO-SANMLTNESA-N 1 2 417.553 4.498 50 0 HIAALO CC(C)(C)c1ccc([C@]2(C)NC(=O)N(C[N@@H+]3CC=C(c4ccccc4)CC3)C2=O)cc1 ZINC000013059095 558509474 /nfs/dbraw/zinc/50/94/74/558509474.db2.gz KHRCRPHLXVNUTO-SANMLTNESA-N 1 2 417.553 4.498 50 0 HIAALO Fc1ccc([C@H](CNc2nc(C(F)(F)F)nc3ccccc32)[NH+]2CCOCC2)cc1 ZINC000013163344 558524699 /nfs/dbraw/zinc/52/46/99/558524699.db2.gz LQLCAMYUEVWFEF-SFHVURJKSA-N 1 2 420.410 4.273 50 0 HIAALO COc1cc(-c2nc(C[NH+]3CCN(c4ccc(C(C)=O)cc4)CC3)c(C)o2)ccc1F ZINC000023214073 558542769 /nfs/dbraw/zinc/54/27/69/558542769.db2.gz LTHSEHVNVPAIDW-UHFFFAOYSA-N 1 2 423.488 4.323 50 0 HIAALO C[N@@H+]1CCc2nc(NC(=O)c3ccc(-c4nnc(-c5ccccc5)o4)cc3)sc2C1 ZINC000023239358 558544837 /nfs/dbraw/zinc/54/48/37/558544837.db2.gz VZJDFFRDQTZDGD-UHFFFAOYSA-N 1 2 417.494 4.100 50 0 HIAALO C[N@H+]1CCc2nc(NC(=O)c3ccc(-c4nnc(-c5ccccc5)o4)cc3)sc2C1 ZINC000023239358 558544839 /nfs/dbraw/zinc/54/48/39/558544839.db2.gz VZJDFFRDQTZDGD-UHFFFAOYSA-N 1 2 417.494 4.100 50 0 HIAALO COc1ccc(OC)c(C[NH+]2CCN(Cc3csc(-c4ccccc4)n3)CC2)c1 ZINC000023286234 558547538 /nfs/dbraw/zinc/54/75/38/558547538.db2.gz YXCWPLNWJKDGRZ-UHFFFAOYSA-N 1 2 409.555 4.145 50 0 HIAALO O=C(c1ccc(Cl)nc1)N1CC[NH+]([C@@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000023320169 558549070 /nfs/dbraw/zinc/54/90/70/558549070.db2.gz UTCDECXUYDVLIU-QFIPXVFZSA-N 1 2 409.892 4.422 50 0 HIAALO COc1cc2nc(C[NH2+][C@@H](C)c3ccc(Cl)cc3Cl)[nH]c(=O)c2cc1OC ZINC000023805213 558576675 /nfs/dbraw/zinc/57/66/75/558576675.db2.gz LHQCLJADOWOXLD-JTQLQIEISA-N 1 2 408.285 4.098 50 0 HIAALO Cc1cc(SCC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)nc2ccccc12 ZINC000023866748 558578632 /nfs/dbraw/zinc/57/86/32/558578632.db2.gz JPABIUHPKDUFIV-UHFFFAOYSA-N 1 2 407.539 4.106 50 0 HIAALO Cc1ccc(-c2nc(C(=O)N3CC[NH+](Cc4ccc5c(c4)CCO5)CC3)cs2)cc1 ZINC000024136885 558590397 /nfs/dbraw/zinc/59/03/97/558590397.db2.gz HEXBMWJKAMOTMB-UHFFFAOYSA-N 1 2 419.550 4.011 50 0 HIAALO COc1ccc(C[NH+]2CCN(C(=O)c3cc4cc(Cl)ccc4nc3C)CC2)cc1 ZINC000024756383 558610431 /nfs/dbraw/zinc/61/04/31/558610431.db2.gz PRSDADZDRRJFBE-UHFFFAOYSA-N 1 2 409.917 4.163 50 0 HIAALO Cc1cc(C(=O)C[N@H+](C)Cc2ccc(C(=O)NCC(F)(F)F)cc2)c(C)n1C(C)C ZINC000026154604 558656634 /nfs/dbraw/zinc/65/66/34/558656634.db2.gz YHBJATCXXKEQKG-UHFFFAOYSA-N 1 2 423.479 4.293 50 0 HIAALO Cc1cc(C(=O)C[N@@H+](C)Cc2ccc(C(=O)NCC(F)(F)F)cc2)c(C)n1C(C)C ZINC000026154604 558656636 /nfs/dbraw/zinc/65/66/36/558656636.db2.gz YHBJATCXXKEQKG-UHFFFAOYSA-N 1 2 423.479 4.293 50 0 HIAALO COc1ccc(C[N@@H+]2CCOc3ccc([C@H](O)Cc4ccccc4)cc3C2)cc1OC ZINC000014992084 558694805 /nfs/dbraw/zinc/69/48/05/558694805.db2.gz WVPQMGJFJKFATL-HSZRJFAPSA-N 1 2 419.521 4.375 50 0 HIAALO COc1ccc(C[N@H+]2CCOc3ccc([C@H](O)Cc4ccccc4)cc3C2)cc1OC ZINC000014992084 558694808 /nfs/dbraw/zinc/69/48/08/558694808.db2.gz WVPQMGJFJKFATL-HSZRJFAPSA-N 1 2 419.521 4.375 50 0 HIAALO CC(C)(C)c1ccc([C@H](CNC(=O)c2ccccc2Cl)[NH+]2CCOCC2)cc1 ZINC000028292046 558697779 /nfs/dbraw/zinc/69/77/79/558697779.db2.gz HJUBQFXIPAUDGB-NRFANRHFSA-N 1 2 400.950 4.441 50 0 HIAALO CC(=O)Nc1cccc(NC(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2)c1 ZINC000015033515 558703687 /nfs/dbraw/zinc/70/36/87/558703687.db2.gz GKAFZRFEMSKMTB-QHCPKHFHSA-N 1 2 405.523 4.293 50 0 HIAALO CC(=O)Nc1cccc(NC(=O)C[N@H+]2CCc3sccc3[C@@H]2c2ccccc2)c1 ZINC000015033515 558703690 /nfs/dbraw/zinc/70/36/90/558703690.db2.gz GKAFZRFEMSKMTB-QHCPKHFHSA-N 1 2 405.523 4.293 50 0 HIAALO O=C(c1ccc2c(c1)OCCO2)C1CC[NH+](Cc2csc(-c3ccccn3)n2)CC1 ZINC000032888451 558728016 /nfs/dbraw/zinc/72/80/16/558728016.db2.gz JQQLYTWLHVWQGW-UHFFFAOYSA-N 1 2 421.522 4.071 50 0 HIAALO C[C@@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)[N@H+](C)Cc1ccc(Cl)nc1 ZINC000072308165 558768743 /nfs/dbraw/zinc/76/87/43/558768743.db2.gz XHKAYAFBBKYKED-NEPJUHHUSA-N 1 2 402.951 4.351 50 0 HIAALO C[C@@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)[N@@H+](C)Cc1ccc(Cl)nc1 ZINC000072308165 558768745 /nfs/dbraw/zinc/76/87/45/558768745.db2.gz XHKAYAFBBKYKED-NEPJUHHUSA-N 1 2 402.951 4.351 50 0 HIAALO COC(=O)c1ccc2c(=O)[nH]c(C[NH2+][C@H](C)c3cc(F)c(Cl)cc3Cl)nc2c1 ZINC000016685210 558799819 /nfs/dbraw/zinc/79/98/19/558799819.db2.gz ZFNGEEHBCJJZPY-SECBINFHSA-N 1 2 424.259 4.006 50 0 HIAALO COc1ccc(CN2CC[NH+](Cc3ccccc3Cl)CC2)cc1Br ZINC000019367885 558877101 /nfs/dbraw/zinc/87/71/01/558877101.db2.gz QCIZKWPWXNGCLY-UHFFFAOYSA-N 1 2 409.755 4.429 50 0 HIAALO COc1cccc(N2CC[NH+](CC(=O)N[C@H](C)c3ccc(Cl)cc3Cl)CC2)c1 ZINC000058146820 558901991 /nfs/dbraw/zinc/90/19/91/558901991.db2.gz KHCRFKMAULUHPU-OAHLLOKOSA-N 1 2 422.356 4.001 50 0 HIAALO CCOc1ccc([C@H]2CCC[N@@H+]2Cc2nc(N)nc(Nc3ccccc3C)n2)cc1 ZINC000058146044 558902095 /nfs/dbraw/zinc/90/20/95/558902095.db2.gz WGRILOXTGQWBPN-HXUWFJFHSA-N 1 2 404.518 4.242 50 0 HIAALO CCOc1ccc([C@H]2CCC[N@H+]2Cc2nc(N)nc(Nc3ccccc3C)n2)cc1 ZINC000058146044 558902098 /nfs/dbraw/zinc/90/20/98/558902098.db2.gz WGRILOXTGQWBPN-HXUWFJFHSA-N 1 2 404.518 4.242 50 0 HIAALO O=C(Nc1ccc(F)cc1)[C@@H](c1ccccc1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000058158738 558904026 /nfs/dbraw/zinc/90/40/26/558904026.db2.gz XGCBPTDMYONFRH-HSZRJFAPSA-N 1 2 407.464 4.467 50 0 HIAALO O=S(=O)(CC[N@H+]1CC=C(c2ccccc2)CC1)c1ccc(Br)cc1 ZINC000058165216 558906724 /nfs/dbraw/zinc/90/67/24/558906724.db2.gz MFSFEUHTTJXUHG-UHFFFAOYSA-N 1 2 406.345 4.012 50 0 HIAALO O=S(=O)(CC[N@@H+]1CC=C(c2ccccc2)CC1)c1ccc(Br)cc1 ZINC000058165216 558906727 /nfs/dbraw/zinc/90/67/27/558906727.db2.gz MFSFEUHTTJXUHG-UHFFFAOYSA-N 1 2 406.345 4.012 50 0 HIAALO CCCN(C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1)[C@H]1CCc2ccccc21 ZINC000058173521 558908548 /nfs/dbraw/zinc/90/85/48/558908548.db2.gz BLNRHGRTMKUTRJ-DQEYMECFSA-N 1 2 421.585 4.477 50 0 HIAALO O=C(COc1ccc(Cl)cc1Cl)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000019537497 558913978 /nfs/dbraw/zinc/91/39/78/558913978.db2.gz KFIPIVJBBIZMNX-QPJJXVBHSA-N 1 2 405.325 4.230 50 0 HIAALO O=C(Cn1c2ccccc2[nH+]c1C1CC1)NCC1(c2cccc(Cl)c2)CCOCC1 ZINC000058244714 558914288 /nfs/dbraw/zinc/91/42/88/558914288.db2.gz CMZMRKBPCLCYFK-UHFFFAOYSA-N 1 2 423.944 4.432 50 0 HIAALO O=C(NCCc1ccccc1)NCCn1c2ccccc2[nH+]c1CCc1ccccc1 ZINC000033252161 558920453 /nfs/dbraw/zinc/92/04/53/558920453.db2.gz RXOVLWSGEGSUGE-UHFFFAOYSA-N 1 2 412.537 4.363 50 0 HIAALO C[C@@H](Oc1ccc(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)cn1)c1ccccc1 ZINC000059251357 558932705 /nfs/dbraw/zinc/93/27/05/558932705.db2.gz BWLQRVPOVJWEOL-GOSISDBHSA-N 1 2 402.498 4.147 50 0 HIAALO CCCCSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CC[N@@H+](C)C3 ZINC000019681881 558956834 /nfs/dbraw/zinc/95/68/34/558956834.db2.gz BDDOWKOMGCZZPY-UHFFFAOYSA-N 1 2 415.584 4.336 50 0 HIAALO CCCCSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CC[N@H+](C)C3 ZINC000019681881 558956835 /nfs/dbraw/zinc/95/68/35/558956835.db2.gz BDDOWKOMGCZZPY-UHFFFAOYSA-N 1 2 415.584 4.336 50 0 HIAALO CC[C@@H](C)NC(=O)c1ccc2cc[nH+]c(N3CCN(c4ccc(F)cc4)CC3)c2c1 ZINC000064667887 558965144 /nfs/dbraw/zinc/96/51/44/558965144.db2.gz VSXMSRNMFRSQDV-QGZVFWFLSA-N 1 2 406.505 4.229 50 0 HIAALO CCCNC(=O)c1ccc2cc[nH+]c(N3CCN(c4ccc(Cl)cc4)CC3)c2c1 ZINC000065002121 558968890 /nfs/dbraw/zinc/96/88/90/558968890.db2.gz QDDCECTWJJQNFV-UHFFFAOYSA-N 1 2 408.933 4.355 50 0 HIAALO CCOc1ccc(C(=O)NC[C@H](c2cccc3ccccc32)[NH+]2CCOCC2)cc1 ZINC000023106465 559010065 /nfs/dbraw/zinc/01/00/65/559010065.db2.gz QWXDSNCPGLDSGR-XMMPIXPASA-N 1 2 404.510 4.042 50 0 HIAALO Cc1nc2n(n1)C(=O)C([C@H](c1ccc(Br)cc1)[NH+]1CCCCC1)S2 ZINC000023156997 559022049 /nfs/dbraw/zinc/02/20/49/559022049.db2.gz CROKKSNPLMWIKR-AWEZNQCLSA-N 1 2 407.337 4.143 50 0 HIAALO Cc1c(Cl)cccc1NC(=S)N[C@@H](C)[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000023182263 559031934 /nfs/dbraw/zinc/03/19/34/559031934.db2.gz KYVPUCRHAMYDNV-KBXCAEBGSA-N 1 2 410.008 4.458 50 0 HIAALO Cc1cccc(-c2nc(C[NH+]3CCC(C(=O)Nc4cc(C)ccc4F)CC3)no2)c1 ZINC000033327695 559060527 /nfs/dbraw/zinc/06/05/27/559060527.db2.gz HRPRQYUZXLSPJH-UHFFFAOYSA-N 1 2 408.477 4.343 50 0 HIAALO COc1ccc(-c2nc(C[NH+]3CCN(c4ccccc4)CC3)c(C)o2)c(OC)c1C ZINC000096402907 559110150 /nfs/dbraw/zinc/11/01/50/559110150.db2.gz PPXDHKAZQOJXIF-UHFFFAOYSA-N 1 2 407.514 4.298 50 0 HIAALO CCn1c2ccccc2n(C[NH+]2CCC(C(=O)N3CCCCCC3)CC2)c1=S ZINC000024045776 559188625 /nfs/dbraw/zinc/18/86/25/559188625.db2.gz OJPIGVROIPYEOG-UHFFFAOYSA-N 1 2 400.592 4.264 50 0 HIAALO CCc1[nH+]c2ccccc2n1C[C@H](O)COc1ccccc1C(=O)Nc1ccccc1 ZINC000005586140 560626596 /nfs/dbraw/zinc/62/65/96/560626596.db2.gz XBWBDVDNSPUZMC-IBGZPJMESA-N 1 2 415.493 4.291 50 0 HIAALO Cc1cc(Cl)cc(C)c1OCC(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000018236270 560785328 /nfs/dbraw/zinc/78/53/28/560785328.db2.gz CNKGFEOBOQXTOZ-IBGZPJMESA-N 1 2 401.869 4.114 50 0 HIAALO CCc1[nH+]c(C(C)C)nc(N2CCN(C(=O)C3CCC3)CC2)c1Cc1ccc(F)cc1 ZINC000096317021 560848777 /nfs/dbraw/zinc/84/87/77/560848777.db2.gz WPASZOWJEDFEIH-UHFFFAOYSA-N 1 2 424.564 4.341 50 0 HIAALO COc1ccc(Cl)cc1C[N@H+](C)CC(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000008005840 568487691 /nfs/dbraw/zinc/48/76/91/568487691.db2.gz WPYCWQHYKMHXME-UHFFFAOYSA-N 1 2 412.921 4.222 50 0 HIAALO COc1ccc(Cl)cc1C[N@@H+](C)CC(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000008005840 568487692 /nfs/dbraw/zinc/48/76/92/568487692.db2.gz WPYCWQHYKMHXME-UHFFFAOYSA-N 1 2 412.921 4.222 50 0 HIAALO COc1ccc(Cl)cc1NC(=O)[C@@H](C)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000022918598 568500649 /nfs/dbraw/zinc/50/06/49/568500649.db2.gz WQHMRUFUNXKMIQ-OAHLLOKOSA-N 1 2 422.356 4.147 50 0 HIAALO Cc1ccc(-c2ocnc2-c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)cc1 ZINC000225508434 568644596 /nfs/dbraw/zinc/64/45/96/568644596.db2.gz LBHXOIGCCXTNNQ-UHFFFAOYSA-N 1 2 402.454 4.199 50 0 HIAALO Cc1[nH+]c2ccccc2n1CCc1noc(Cc2coc(-c3ccc(F)cc3)n2)n1 ZINC000095942972 568662616 /nfs/dbraw/zinc/66/26/16/568662616.db2.gz HCQZGDGBBFXEMH-UHFFFAOYSA-N 1 2 403.417 4.355 50 0 HIAALO C[C@H]1C[C@H](C(=O)N2CC[NH+](Cc3ccc(-c4ccccc4F)s3)CC2)CCO1 ZINC000095988737 568677237 /nfs/dbraw/zinc/67/72/37/568677237.db2.gz KXNNEPSWAZNHRV-DLBZAZTESA-N 1 2 402.535 4.014 50 0 HIAALO O=C(Nc1cnn(-c2ccccc2)c1C(F)(F)F)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000096013011 568685099 /nfs/dbraw/zinc/68/50/99/568685099.db2.gz HXCGWCLOPFKEQI-OAHLLOKOSA-N 1 2 404.396 4.373 50 0 HIAALO O=C(Nc1nc(-c2ccc(F)cc2)cs1)[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H](O)C1 ZINC000229380671 568713982 /nfs/dbraw/zinc/71/39/82/568713982.db2.gz VHQQIUINQPIGMZ-UYAOXDASSA-N 1 2 411.502 4.086 50 0 HIAALO O=C(Nc1nc(-c2ccc(F)cc2)cs1)[C@@H](c1ccccc1)[N@H+]1CCC[C@@H](O)C1 ZINC000229380671 568713984 /nfs/dbraw/zinc/71/39/84/568713984.db2.gz VHQQIUINQPIGMZ-UYAOXDASSA-N 1 2 411.502 4.086 50 0 HIAALO CCOC(=O)/C=C\c1ccc(NC(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000096307205 568723701 /nfs/dbraw/zinc/72/37/01/568723701.db2.gz OCJMCWWHZNIZEE-LBWZGELYSA-N 1 2 404.470 4.331 50 0 HIAALO C[C@H](c1nnc(-c2ccccc2)o1)[NH+]1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000096311016 568724674 /nfs/dbraw/zinc/72/46/74/568724674.db2.gz HDOMHGFNDBELQV-OAHLLOKOSA-N 1 2 400.885 4.408 50 0 HIAALO CCc1[nH+]c(C(C)C)nc(N2CCN(C(=O)C(C)C)CC2)c1Cc1cccc(C)c1 ZINC000096316829 568726128 /nfs/dbraw/zinc/72/61/28/568726128.db2.gz GQXXRDYNNAVDKX-UHFFFAOYSA-N 1 2 408.590 4.366 50 0 HIAALO Cc1cccc(Cc2c(C)[nH+]c(C(C)C)nc2N2CCN(C(=O)NC(C)(C)C)CC2)c1 ZINC000096317244 568726226 /nfs/dbraw/zinc/72/62/26/568726226.db2.gz BJERERFWJZHRBH-UHFFFAOYSA-N 1 2 423.605 4.438 50 0 HIAALO CCC(=O)N1CCN(c2nc([C@@H](C)CC)[nH+]c(CC)c2Cc2ccccc2F)CC1 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CCOc1ccc(-c2noc(C[N@@H+](C)Cc3ccc(OC(F)F)c(OC)c3)n2)cc1 ZINC000037170684 569239507 /nfs/dbraw/zinc/23/95/07/569239507.db2.gz SMQNSZAHKWTMBT-UHFFFAOYSA-N 1 2 419.428 4.377 50 0 HIAALO COc1ccc(C(=O)C2CC[NH+](CC(=O)N[C@H](c3ccccc3)C(C)C)CC2)cc1 ZINC000014327611 569259385 /nfs/dbraw/zinc/25/93/85/569259385.db2.gz MCNBTWYXHXNMJH-DEOSSOPVSA-N 1 2 408.542 4.103 50 0 HIAALO Cc1cc(N2CCOCC2)nc(Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2)[nH+]1 ZINC000017013462 569271526 /nfs/dbraw/zinc/27/15/26/569271526.db2.gz QULRMQYICHIUTJ-UHFFFAOYSA-N 1 2 423.904 4.271 50 0 HIAALO Cc1ccc(S(=O)(=O)Nc2ccc(Nc3nc(N4CCCC4)cc(C)[nH+]3)cc2)cc1 ZINC000017050985 569272525 /nfs/dbraw/zinc/27/25/25/569272525.db2.gz BORBYWBKYUTOMM-UHFFFAOYSA-N 1 2 423.542 4.238 50 0 HIAALO O=C(C[N@H+]1CCC[C@@H]1c1nc(-c2ccccc2Cl)c[nH]1)NCCc1cccs1 ZINC000078970032 569422506 /nfs/dbraw/zinc/42/25/06/569422506.db2.gz KKZAILZODBYPJM-LJQANCHMSA-N 1 2 414.962 4.287 50 0 HIAALO O=C(C[N@@H+]1CCC[C@@H]1c1nc(-c2ccccc2Cl)c[nH]1)NCCc1cccs1 ZINC000078970032 569422507 /nfs/dbraw/zinc/42/25/07/569422507.db2.gz KKZAILZODBYPJM-LJQANCHMSA-N 1 2 414.962 4.287 50 0 HIAALO CNC(=O)c1ccc(C[N@H+](C)[C@H](c2nc(-c3ccccc3)no2)c2ccccc2)cc1 ZINC000079023335 569424450 /nfs/dbraw/zinc/42/44/50/569424450.db2.gz LRLQRQMRRJVIPV-QFIPXVFZSA-N 1 2 412.493 4.318 50 0 HIAALO CNC(=O)c1ccc(C[N@@H+](C)[C@H](c2nc(-c3ccccc3)no2)c2ccccc2)cc1 ZINC000079023335 569424452 /nfs/dbraw/zinc/42/44/52/569424452.db2.gz LRLQRQMRRJVIPV-QFIPXVFZSA-N 1 2 412.493 4.318 50 0 HIAALO COC(=O)c1ccc(C(=O)NCC2CCC(c3[nH+]c4ccccc4n3C)CC2)cc1 ZINC000038671713 571060571 /nfs/dbraw/zinc/06/05/71/571060571.db2.gz HGKXROZYTJDKBD-UHFFFAOYSA-N 1 2 405.498 4.064 50 0 HIAALO CC[N@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)[C@@H](C)C(=O)Nc1ccccc1C(C)C ZINC000008494368 571061470 /nfs/dbraw/zinc/06/14/70/571061470.db2.gz PZRDUJLVYIOCAP-KRWDZBQOSA-N 1 2 424.545 4.056 50 0 HIAALO CC[N@@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)[C@@H](C)C(=O)Nc1ccccc1C(C)C ZINC000008494368 571061472 /nfs/dbraw/zinc/06/14/72/571061472.db2.gz PZRDUJLVYIOCAP-KRWDZBQOSA-N 1 2 424.545 4.056 50 0 HIAALO Cc1cccn2cc(CSc3nnc(-c4cccs4)n3C[C@H]3CCCO3)[nH+]c12 ZINC000008709769 571104801 /nfs/dbraw/zinc/10/48/01/571104801.db2.gz IWGYQLYJMFZGGT-MRXNPFEDSA-N 1 2 411.556 4.434 50 0 HIAALO C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000040067988 571148716 /nfs/dbraw/zinc/14/87/16/571148716.db2.gz STDAZJXNWPMJOY-UWJYYQICSA-N 1 2 401.938 4.116 50 0 HIAALO O=C(NCc1ccc(N2CCCC[C@H]2CCO)[nH+]c1)Nc1ccc(Cl)c(Cl)c1 ZINC000040150062 571198523 /nfs/dbraw/zinc/19/85/23/571198523.db2.gz NPBQXJNEQJWILJ-INIZCTEOSA-N 1 2 423.344 4.451 50 0 HIAALO COc1ccc(OC)c(C(=O)CSc2[nH+]cnc3c2cnn3-c2ccc(C)cc2)c1 ZINC000009087176 571219796 /nfs/dbraw/zinc/21/97/96/571219796.db2.gz STXNJXRUCMJENH-UHFFFAOYSA-N 1 2 420.494 4.116 50 0 HIAALO CCNc1cc(C)[nH+]c(Nc2ccc(NC(=O)c3cc4ccccc4oc3=O)cc2)n1 ZINC000009573308 571269264 /nfs/dbraw/zinc/26/92/64/571269264.db2.gz YKVCYGMHBRRYFB-UHFFFAOYSA-N 1 2 415.453 4.319 50 0 HIAALO O=C(C[N@@H+]1CCc2ccccc2C1)Nc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC000009647666 571276545 /nfs/dbraw/zinc/27/65/45/571276545.db2.gz YIMFZLABIWRNEH-UHFFFAOYSA-N 1 2 403.457 4.075 50 0 HIAALO O=C(C[N@H+]1CCc2ccccc2C1)Nc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC000009647666 571276547 /nfs/dbraw/zinc/27/65/47/571276547.db2.gz YIMFZLABIWRNEH-UHFFFAOYSA-N 1 2 403.457 4.075 50 0 HIAALO COc1c(C)c[nH+]c(CN(C)C(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)c1C ZINC000071846809 571303368 /nfs/dbraw/zinc/30/33/68/571303368.db2.gz MKPIHBZEAPBRMU-DLBZAZTESA-N 1 2 403.320 4.232 50 0 HIAALO COc1ccc(C[N@@H+]2CCOc3c(O)cc(-c4cccnc4)cc3C2)c(OC)c1C ZINC000012152992 845856132 /nfs/dbraw/zinc/85/61/32/845856132.db2.gz RTSQMWMSBHERBC-UHFFFAOYSA-N 1 2 406.482 4.174 50 0 HIAALO COc1ccc(C[N@H+]2CCOc3c(O)cc(-c4cccnc4)cc3C2)c(OC)c1C ZINC000012152992 845856139 /nfs/dbraw/zinc/85/61/39/845856139.db2.gz RTSQMWMSBHERBC-UHFFFAOYSA-N 1 2 406.482 4.174 50 0 HIAALO FC(F)Oc1ccc(NC(=S)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000057434780 850638106 /nfs/dbraw/zinc/63/81/06/850638106.db2.gz HKAZPJJQFYRKKF-QPJJXVBHSA-N 1 2 403.498 4.316 50 0 HIAALO CC[C@H](CNC(=O)[C@@H](C)N1CC[NH+](C/C=C\c2ccccc2)CC1)c1ccccc1 ZINC000096873365 852556967 /nfs/dbraw/zinc/55/69/67/852556967.db2.gz MBJNWKTZWUMRAL-KWKKAUFVSA-N 1 2 405.586 4.016 50 0 HIAALO O=C(/C=C\c1ccc2c(c1)OCO2)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000097674704 852647060 /nfs/dbraw/zinc/64/70/60/852647060.db2.gz GDBHOHYOYROUAU-CLFYSBASSA-N 1 2 419.506 4.082 50 0 HIAALO O=C(/C=C\c1ccc2c(c1)OCO2)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000097674704 852647066 /nfs/dbraw/zinc/64/70/66/852647066.db2.gz GDBHOHYOYROUAU-CLFYSBASSA-N 1 2 419.506 4.082 50 0 HIAALO O=C(N1CCC2(CC1)C[C@H](CCOc1cc[nH+]cc1)CCO2)C1(c2ccccc2)CC1 ZINC000575553508 948679783 /nfs/dbraw/zinc/67/97/83/948679783.db2.gz VRTMCXIXBIISOI-OAQYLSRUSA-N 1 2 420.553 4.370 50 0 HIAALO Cc1cc(N2CCN(Cc3nc(-c4ccc(C(C)C)cc4)no3)CC2)nc(C(C)C)[nH+]1 ZINC000027545560 132491444 /nfs/dbraw/zinc/49/14/44/132491444.db2.gz XJIDPEFRMNOPDX-UHFFFAOYSA-N 1 2 420.561 4.404 50 0 HIAALO CC(=O)Nc1ccc2[nH+]c(N3CCC(C(=O)Nc4cccc(F)c4)CC3)cc(C)c2c1 ZINC000021704306 519734804 /nfs/dbraw/zinc/73/48/04/519734804.db2.gz PLRJTXVBUSCEFT-UHFFFAOYSA-N 1 2 420.488 4.496 50 0 HIAALO COc1c(C)c[nH+]c(Cn2cc(-c3nc(-c4ccccc4Cl)no3)ccc2=O)c1C ZINC000077200467 521814348 /nfs/dbraw/zinc/81/43/48/521814348.db2.gz GAGFXNKYUYAYAO-UHFFFAOYSA-N 1 2 422.872 4.287 50 0 HIAALO COc1ccc(Br)c(C(=O)N2CC[NH+](Cc3cccc(Cl)c3)CC2)c1 ZINC000032483805 523478085 /nfs/dbraw/zinc/47/80/85/523478085.db2.gz ROQRYVVPVIPPQU-UHFFFAOYSA-N 1 2 423.738 4.069 50 0 HIAALO COc1ccc(NC(=O)Nc2ccc3[nH+]c(N4CCOCC4)cc(C)c3c2)c(OC)c1 ZINC000032953901 524579988 /nfs/dbraw/zinc/57/99/88/524579988.db2.gz HASQOJVGCDJWBO-UHFFFAOYSA-N 1 2 422.485 4.041 50 0 HIAALO COc1ccccc1[C@H](NC(=O)NCc1cccc(C(F)(F)F)c1)c1[nH+]ccn1C ZINC000032802552 524795724 /nfs/dbraw/zinc/79/57/24/524795724.db2.gz SMUWNHHSOVKEFE-SFHVURJKSA-N 1 2 418.419 4.036 50 0 HIAALO C[C@@H](c1cc2ccccc2o1)N(C)C(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000032779750 526034505 /nfs/dbraw/zinc/03/45/05/526034505.db2.gz BIRJJJOHWBWTLT-GHTZIAJQSA-N 1 2 407.514 4.209 50 0 HIAALO [NH2+]=c1n(Cc2ccccc2Cl)c2ccccc2n1C[C@@H](O)COc1ccccc1 ZINC000019809784 526843824 /nfs/dbraw/zinc/84/38/24/526843824.db2.gz DNHAJJQKSDWLIB-GOSISDBHSA-N 1 2 407.901 4.064 50 0 HIAALO O=c1nc(N2CC[NH+](Cc3ccccc3)CC2)[nH]c2c(-c3ccc(F)cc3)csc21 ZINC000048986599 527439741 /nfs/dbraw/zinc/43/97/41/527439741.db2.gz NWLOTBSIXQRNCF-UHFFFAOYSA-N 1 2 420.513 4.113 50 0 HIAALO O=C(NCc1ccncc1)C1CCN(c2[nH+]c3ccccc3n2C2CCCCC2)CC1 ZINC000034906581 557473478 /nfs/dbraw/zinc/47/34/78/557473478.db2.gz YGYWZSIXEFZAKZ-UHFFFAOYSA-N 1 2 417.557 4.469 50 0 HIAALO CC(C)CCn1c2ccccc2[nH+]c1N1CCC[C@@H](C(=O)NCc2cccnc2)C1 ZINC000034906819 557474299 /nfs/dbraw/zinc/47/42/99/557474299.db2.gz OKKUWSLTJQHPTD-HXUWFJFHSA-N 1 2 405.546 4.010 50 0 HIAALO COc1cc2c(cc1OC)[C@H](CNC(=O)c1cccs1)[N@H+](Cc1ccccc1)CC2 ZINC000034855705 557477167 /nfs/dbraw/zinc/47/71/67/557477167.db2.gz JEKPJNQTULXLDL-FQEVSTJZSA-N 1 2 422.550 4.295 50 0 HIAALO COc1cc2c(cc1OC)[C@H](CNC(=O)c1cccs1)[N@@H+](Cc1ccccc1)CC2 ZINC000034855705 557477172 /nfs/dbraw/zinc/47/71/72/557477172.db2.gz JEKPJNQTULXLDL-FQEVSTJZSA-N 1 2 422.550 4.295 50 0 HIAALO O=S(=O)(NC[C@@H](c1ccco1)[N@@H+]1CCc2ccccc2C1)c1ccc(Cl)cc1 ZINC000022907184 557852871 /nfs/dbraw/zinc/85/28/71/557852871.db2.gz FLRMLHZIZUFJLR-FQEVSTJZSA-N 1 2 416.930 4.011 50 0 HIAALO O=S(=O)(NC[C@@H](c1ccco1)[N@H+]1CCc2ccccc2C1)c1ccc(Cl)cc1 ZINC000022907184 557852873 /nfs/dbraw/zinc/85/28/73/557852873.db2.gz FLRMLHZIZUFJLR-FQEVSTJZSA-N 1 2 416.930 4.011 50 0 HIAALO [NH2+]=c1n(Cc2ccccc2)c2ccccc2n1C[C@@H](O)COc1ccc(Cl)cc1 ZINC000019733148 558260087 /nfs/dbraw/zinc/26/00/87/558260087.db2.gz HCIDWAWTJLFNBL-LJQANCHMSA-N 1 2 407.901 4.064 50 0 HIAALO CC(C)Cc1cc(C[NH+]2CCC(CO)(Cc3ccccc3C(F)(F)F)CC2)n[nH]1 ZINC000019739637 558260712 /nfs/dbraw/zinc/26/07/12/558260712.db2.gz HVFVUFSUDVVXDI-UHFFFAOYSA-N 1 2 409.496 4.444 50 0 HIAALO CC(C)n1cc(C[N@@H+]2CCC[C@@H]2C(=O)Nc2ccccc2Oc2cccnc2)cn1 ZINC000011661174 558265277 /nfs/dbraw/zinc/26/52/77/558265277.db2.gz SFJNAFDYUUTANJ-OAQYLSRUSA-N 1 2 405.502 4.254 50 0 HIAALO CC(C)n1cc(C[N@H+]2CCC[C@@H]2C(=O)Nc2ccccc2Oc2cccnc2)cn1 ZINC000011661174 558265279 /nfs/dbraw/zinc/26/52/79/558265279.db2.gz SFJNAFDYUUTANJ-OAQYLSRUSA-N 1 2 405.502 4.254 50 0 HIAALO CC(=O)NCC[C@H]1CCCC[N@@H+]1Cc1nc(C2(c3ccc(C)cc3)CCCC2)no1 ZINC000011663046 558266661 /nfs/dbraw/zinc/26/66/61/558266661.db2.gz GURVRYCYAGOPAM-OAQYLSRUSA-N 1 2 410.562 4.119 50 0 HIAALO CC(=O)NCC[C@H]1CCCC[N@H+]1Cc1nc(C2(c3ccc(C)cc3)CCCC2)no1 ZINC000011663046 558266664 /nfs/dbraw/zinc/26/66/64/558266664.db2.gz GURVRYCYAGOPAM-OAQYLSRUSA-N 1 2 410.562 4.119 50 0 HIAALO O=S(=O)(N[C@@H]1c2cccc3cccc(c23)[C@H]1[NH2+]Cc1ccco1)c1ccccc1 ZINC000019811149 558286912 /nfs/dbraw/zinc/28/69/12/558286912.db2.gz KBCAJOAJIJDKQO-DHIUTWEWSA-N 1 2 404.491 4.297 50 0 HIAALO COc1ccc(C[N@@H+]2CCCC[C@@H]2C(=O)Nc2ccc(-n3cccn3)cc2)cc1F ZINC000012203962 558351961 /nfs/dbraw/zinc/35/19/61/558351961.db2.gz IVPHUIPNEILOGL-OAQYLSRUSA-N 1 2 408.477 4.013 50 0 HIAALO COc1ccc(C[N@H+]2CCCC[C@@H]2C(=O)Nc2ccc(-n3cccn3)cc2)cc1F ZINC000012203962 558351964 /nfs/dbraw/zinc/35/19/64/558351964.db2.gz IVPHUIPNEILOGL-OAQYLSRUSA-N 1 2 408.477 4.013 50 0 HIAALO CCCCNc1nc2sc3c(c2c(=O)n1-c1cccc(Cl)c1)CC[N@@H+](C)C3 ZINC000020389412 558359093 /nfs/dbraw/zinc/35/90/93/558359093.db2.gz YJZZHJOWLMDHPY-UHFFFAOYSA-N 1 2 402.951 4.301 50 0 HIAALO CCCCNc1nc2sc3c(c2c(=O)n1-c1cccc(Cl)c1)CC[N@H+](C)C3 ZINC000020389412 558359096 /nfs/dbraw/zinc/35/90/96/558359096.db2.gz YJZZHJOWLMDHPY-UHFFFAOYSA-N 1 2 402.951 4.301 50 0 HIAALO O=C(Nc1ccccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1)c1ccccc1F ZINC000020469884 558374045 /nfs/dbraw/zinc/37/40/45/558374045.db2.gz LMIZIBUJNWOGOM-UHFFFAOYSA-N 1 2 417.484 4.036 50 0 HIAALO CCc1ncc(C[N@@H+]2CCCC[C@H]2C(=O)Nc2ccc(Oc3cccnc3)cc2)cn1 ZINC000012320836 558382651 /nfs/dbraw/zinc/38/26/51/558382651.db2.gz ZWIAZDOWFJKOGB-QFIPXVFZSA-N 1 2 417.513 4.220 50 0 HIAALO CCc1ncc(C[N@H+]2CCCC[C@H]2C(=O)Nc2ccc(Oc3cccnc3)cc2)cn1 ZINC000012320836 558382656 /nfs/dbraw/zinc/38/26/56/558382656.db2.gz ZWIAZDOWFJKOGB-QFIPXVFZSA-N 1 2 417.513 4.220 50 0 HIAALO COc1ccc(C[N@H+](C)Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)cc1OC ZINC000012442435 558412655 /nfs/dbraw/zinc/41/26/55/558412655.db2.gz DCHRNYQOZHSZDH-UHFFFAOYSA-N 1 2 407.392 4.405 50 0 HIAALO COc1ccc(C[N@@H+](C)Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)cc1OC ZINC000012442435 558412657 /nfs/dbraw/zinc/41/26/57/558412657.db2.gz DCHRNYQOZHSZDH-UHFFFAOYSA-N 1 2 407.392 4.405 50 0 HIAALO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020892943 558419932 /nfs/dbraw/zinc/41/99/32/558419932.db2.gz OIKZAULLTWLHCY-UHFFFAOYSA-N 1 2 413.880 4.401 50 0 HIAALO COc1ccc(C[N@@H+]2CCCC[C@@H]2C(=O)Nc2ccc(-n3cccn3)cc2)c(F)c1 ZINC000012467636 558420755 /nfs/dbraw/zinc/42/07/55/558420755.db2.gz WZEZOBBGJSIURU-JOCHJYFZSA-N 1 2 408.477 4.013 50 0 HIAALO COc1ccc(C[N@H+]2CCCC[C@@H]2C(=O)Nc2ccc(-n3cccn3)cc2)c(F)c1 ZINC000012467636 558420757 /nfs/dbraw/zinc/42/07/57/558420757.db2.gz WZEZOBBGJSIURU-JOCHJYFZSA-N 1 2 408.477 4.013 50 0 HIAALO COc1cccc(NC(=O)CSc2[nH+]cnc3c2cnn3-c2ccc(C)cc2C)c1 ZINC000004341749 558425519 /nfs/dbraw/zinc/42/55/19/558425519.db2.gz PKADVOFCFJXGOH-UHFFFAOYSA-N 1 2 419.510 4.172 50 0 HIAALO C[N@@H+](Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2)Cc1nccs1 ZINC000012612092 558438723 /nfs/dbraw/zinc/43/87/23/558438723.db2.gz ZGVMZSBNIONVJK-UHFFFAOYSA-N 1 2 404.495 4.357 50 0 HIAALO C[N@H+](Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2)Cc1nccs1 ZINC000012612092 558438726 /nfs/dbraw/zinc/43/87/26/558438726.db2.gz ZGVMZSBNIONVJK-UHFFFAOYSA-N 1 2 404.495 4.357 50 0 HIAALO O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000012627337 558440294 /nfs/dbraw/zinc/44/02/94/558440294.db2.gz NQNZCLBUUONECM-UHFFFAOYSA-N 1 2 418.522 4.147 50 0 HIAALO COc1ccc(C[NH+]2CCN(C(=O)Cc3c(Cl)cccc3Cl)CC2)cc1F ZINC000022069749 558461559 /nfs/dbraw/zinc/46/15/59/558461559.db2.gz YVMYXVJTOMUOBN-UHFFFAOYSA-N 1 2 411.304 4.028 50 0 HIAALO CCCNC(=O)C[C@@H](c1c[nH+]c2ccc(Cl)cn21)c1cc(OC)cc(OC)c1 ZINC000004381611 558484131 /nfs/dbraw/zinc/48/41/31/558484131.db2.gz NJLAUWJOPSGINN-GOSISDBHSA-N 1 2 401.894 4.053 50 0 HIAALO COc1cccc(N2CC[NH+](CC(=O)N[C@@H](C)c3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000013038648 558505629 /nfs/dbraw/zinc/50/56/29/558505629.db2.gz FXQWTZXRENFPMN-HNNXBMFYSA-N 1 2 422.356 4.001 50 0 HIAALO CCc1cc2c(C[N@H+](C)CC(=O)Nc3cccc4ccccc43)cc(=O)oc2cc1O ZINC000013038916 558505867 /nfs/dbraw/zinc/50/58/67/558505867.db2.gz AAZZLKOMTZONSV-UHFFFAOYSA-N 1 2 416.477 4.285 50 0 HIAALO CCc1cc2c(C[N@@H+](C)CC(=O)Nc3cccc4ccccc43)cc(=O)oc2cc1O ZINC000013038916 558505870 /nfs/dbraw/zinc/50/58/70/558505870.db2.gz AAZZLKOMTZONSV-UHFFFAOYSA-N 1 2 416.477 4.285 50 0 HIAALO Cc1ccc2c(C[NH+]3CCN(Cc4ccc(F)cc4Cl)CC3)cc(=O)oc2c1 ZINC000022752966 558507866 /nfs/dbraw/zinc/50/78/66/558507866.db2.gz OFSGMVBATZQJCH-UHFFFAOYSA-N 1 2 400.881 4.212 50 0 biogenic,in-vitro HIAALO CCc1ccc(C[N@H+](C)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)cc1 ZINC000013063444 558510513 /nfs/dbraw/zinc/51/05/13/558510513.db2.gz PMZRKEVKIMLNMW-UHFFFAOYSA-N 1 2 413.521 4.134 50 0 HIAALO CCc1ccc(C[N@@H+](C)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)cc1 ZINC000013063444 558510515 /nfs/dbraw/zinc/51/05/15/558510515.db2.gz PMZRKEVKIMLNMW-UHFFFAOYSA-N 1 2 413.521 4.134 50 0 HIAALO CC(C)c1ccc([C@@]2(C)NC(=O)N(C[N@H+]3CC=C(c4ccccc4)CC3)C2=O)cc1 ZINC000013097726 558513924 /nfs/dbraw/zinc/51/39/24/558513924.db2.gz HNALWWJIKYUGFW-RUZDIDTESA-N 1 2 403.526 4.324 50 0 HIAALO CC(C)c1ccc([C@@]2(C)NC(=O)N(C[N@@H+]3CC=C(c4ccccc4)CC3)C2=O)cc1 ZINC000013097726 558513925 /nfs/dbraw/zinc/51/39/25/558513925.db2.gz HNALWWJIKYUGFW-RUZDIDTESA-N 1 2 403.526 4.324 50 0 HIAALO O[C@H](COc1ccc2oc3ccccc3c2c1)C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000022860289 558517467 /nfs/dbraw/zinc/51/74/67/558517467.db2.gz WINFWSHMWZKUIE-NRFANRHFSA-N 1 2 416.521 4.144 50 0 HIAALO CN(Cc1ccccc1)C(=O)c1nc2ccccn2c1C[N@@H+]1CCc2sccc2C1 ZINC000013593397 558546657 /nfs/dbraw/zinc/54/66/57/558546657.db2.gz VVNCUSDLTDHHRH-UHFFFAOYSA-N 1 2 416.550 4.226 50 0 HIAALO CN(Cc1ccccc1)C(=O)c1nc2ccccn2c1C[N@H+]1CCc2sccc2C1 ZINC000013593397 558546660 /nfs/dbraw/zinc/54/66/60/558546660.db2.gz VVNCUSDLTDHHRH-UHFFFAOYSA-N 1 2 416.550 4.226 50 0 HIAALO Cc1ccc(-c2cc(C(=O)N3CC[NH+](Cc4ccncc4)CC3)c3ccccc3n2)o1 ZINC000023800869 558576170 /nfs/dbraw/zinc/57/61/70/558576170.db2.gz HASQDNUXOWNJIV-UHFFFAOYSA-N 1 2 412.493 4.156 50 0 HIAALO Cc1ccc(-c2ccsc2C(=O)NCc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000023883334 558580266 /nfs/dbraw/zinc/58/02/66/558580266.db2.gz MCUXTYJPDNXETG-UHFFFAOYSA-N 1 2 406.551 4.486 50 0 HIAALO O=C(c1cccs1)N1CC[NH+](Cc2c(-c3ccccc3)nc3ccccn32)CC1 ZINC000023957039 558582631 /nfs/dbraw/zinc/58/26/31/558582631.db2.gz AFCKZWOAHXQXHG-UHFFFAOYSA-N 1 2 402.523 4.021 50 0 HIAALO Clc1cc(C[NH+]2CCN(c3ncccn3)CC2)c2c(c1)CO[C@@H](c1ccccc1)O2 ZINC000024527986 558600114 /nfs/dbraw/zinc/60/01/14/558600114.db2.gz KIOUVYQDGVJJOX-JOCHJYFZSA-N 1 2 422.916 4.060 50 0 HIAALO CC(=O)Nc1cccc(-n2cnn(C[NH+]3CCC(Cc4ccccc4)CC3)c2=S)c1 ZINC000026551946 558662951 /nfs/dbraw/zinc/66/29/51/558662951.db2.gz NWWNZSUGUBYICI-UHFFFAOYSA-N 1 2 421.570 4.274 50 0 HIAALO Cc1ccc([C@@H](c2ccccc2C)[NH+]2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 ZINC000072265289 558666417 /nfs/dbraw/zinc/66/64/17/558666417.db2.gz MAPKLHBHTWFEBH-VWLOTQADSA-N 1 2 420.578 4.399 50 0 HIAALO COc1ccc(C[N@@H+]2CCOc3ccc([C@@H](O)Cc4ccccc4)cc3C2)cc1OC ZINC000014992082 558694831 /nfs/dbraw/zinc/69/48/31/558694831.db2.gz WVPQMGJFJKFATL-QHCPKHFHSA-N 1 2 419.521 4.375 50 0 HIAALO COc1ccc(C[N@H+]2CCOc3ccc([C@@H](O)Cc4ccccc4)cc3C2)cc1OC ZINC000014992082 558694832 /nfs/dbraw/zinc/69/48/32/558694832.db2.gz WVPQMGJFJKFATL-QHCPKHFHSA-N 1 2 419.521 4.375 50 0 HIAALO CC(C)Oc1ccc(C(=O)NC[C@H](c2ccc(C(C)C)cc2)[NH+]2CCOCC2)cc1 ZINC000028290445 558696740 /nfs/dbraw/zinc/69/67/40/558696740.db2.gz QGDPKEUIHZQBBB-XMMPIXPASA-N 1 2 410.558 4.401 50 0 HIAALO C[N@H+](CCC(=O)Nc1ccccc1-c1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000028845517 558706193 /nfs/dbraw/zinc/70/61/93/558706193.db2.gz MVPXITDOIKISFF-UHFFFAOYSA-N 1 2 412.493 4.051 50 0 HIAALO C[N@@H+](CCC(=O)Nc1ccccc1-c1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000028845517 558706195 /nfs/dbraw/zinc/70/61/95/558706195.db2.gz MVPXITDOIKISFF-UHFFFAOYSA-N 1 2 412.493 4.051 50 0 HIAALO COc1ccc(-c2nn(-c3ccccc3C)cc2C[N@H+](C)Cc2nnc(C)o2)cc1F ZINC000015076702 558716930 /nfs/dbraw/zinc/71/69/30/558716930.db2.gz WGWSRCWCAXMDPM-UHFFFAOYSA-N 1 2 421.476 4.319 50 0 HIAALO COc1ccc(-c2nn(-c3ccccc3C)cc2C[N@@H+](C)Cc2nnc(C)o2)cc1F ZINC000015076702 558716933 /nfs/dbraw/zinc/71/69/33/558716933.db2.gz WGWSRCWCAXMDPM-UHFFFAOYSA-N 1 2 421.476 4.319 50 0 HIAALO COc1ccc2cc([C@H](C)C(=O)NC[C@@H](c3cccs3)[NH+]3CCOCC3)ccc2c1 ZINC000029843886 558722282 /nfs/dbraw/zinc/72/22/82/558722282.db2.gz FAMZLCVZBXGRJE-JTSKRJEESA-N 1 2 424.566 4.203 50 0 HIAALO Cc1ccc(CNC(=O)c2nnc(C[NH2+][C@@H](C)c3ccc(Cl)cc3)s2)cc1 ZINC000029937626 558724720 /nfs/dbraw/zinc/72/47/20/558724720.db2.gz GUJNIADFHICIFA-AWEZNQCLSA-N 1 2 400.935 4.281 50 0 HIAALO Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1ccccc1)N(CCCn1cc[nH+]c1)C3=O ZINC000015671132 558748202 /nfs/dbraw/zinc/74/82/02/558748202.db2.gz QZHAEPXYAOQDAR-JOCHJYFZSA-N 1 2 413.477 4.242 50 0 HIAALO CN(C)c1[nH+]cccc1NC(=O)c1cc(Cl)c2cccc(Br)c2n1 ZINC000072301022 558750887 /nfs/dbraw/zinc/75/08/87/558750887.db2.gz DVKXJGMEPHRXRL-UHFFFAOYSA-N 1 2 405.683 4.364 50 0 HIAALO Cc1nn(-c2ccc(C(=O)Nc3nc(C[NH+]4CCCC4)cs3)cc2)c(C)c1Cl ZINC000032978598 558803770 /nfs/dbraw/zinc/80/37/70/558803770.db2.gz GHACCVOOXWJYBL-UHFFFAOYSA-N 1 2 415.950 4.447 50 0 HIAALO COc1ccc(CCNc2[nH+]cnc3c2cnn3-c2cccc(Cl)c2)cc1OC ZINC000016959867 558810546 /nfs/dbraw/zinc/81/05/46/558810546.db2.gz QOYFIJKQCHMHLS-UHFFFAOYSA-N 1 2 409.877 4.141 50 0 HIAALO Cc1ccc(N2CCN(c3[nH+]cnc4c3cnn4-c3ccc(Cl)cc3)C[C@H]2C)cc1 ZINC000017042014 558812606 /nfs/dbraw/zinc/81/26/06/558812606.db2.gz WLWXTSUPIWPMBC-QGZVFWFLSA-N 1 2 418.932 4.492 50 0 HIAALO COCc1ccc(C[N@@H+]2CCCC[C@@H]2C(=O)Nc2ccc(-n3nc(C)cc3C)cc2)o1 ZINC000019147552 558846877 /nfs/dbraw/zinc/84/68/77/558846877.db2.gz IUEXDLMUQSAANG-HSZRJFAPSA-N 1 2 422.529 4.222 50 0 HIAALO COCc1ccc(C[N@H+]2CCCC[C@@H]2C(=O)Nc2ccc(-n3nc(C)cc3C)cc2)o1 ZINC000019147552 558846879 /nfs/dbraw/zinc/84/68/79/558846879.db2.gz IUEXDLMUQSAANG-HSZRJFAPSA-N 1 2 422.529 4.222 50 0 HIAALO CCN(CC)c1cc(Nc2ccc(NS(=O)(=O)c3cccs3)cc2)[nH+]c(C)n1 ZINC000033027416 558850003 /nfs/dbraw/zinc/85/00/03/558850003.db2.gz ALSUMOUIBWKBOP-UHFFFAOYSA-N 1 2 417.560 4.237 50 0 HIAALO O=C(NCCc1c[nH]c2ccc(Cl)cc12)C1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000033070989 558866242 /nfs/dbraw/zinc/86/62/42/558866242.db2.gz JUZZXYCKQPQBFQ-UHFFFAOYSA-N 1 2 421.932 4.273 50 0 HIAALO c1ccc(C(N2CCN(c3ccccc3)CC2)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000019318724 558867126 /nfs/dbraw/zinc/86/71/26/558867126.db2.gz REMSHMSYOJZCKM-UHFFFAOYSA-N 1 2 412.581 4.330 50 0 HIAALO Cn1c2ccccc2[nH+]c1CCc1cccc(NS(=O)(=O)c2cccc(F)c2)c1 ZINC000033116551 558877665 /nfs/dbraw/zinc/87/76/65/558877665.db2.gz UVBSCNBNLJJOEE-UHFFFAOYSA-N 1 2 409.486 4.298 50 0 HIAALO COc1ccc(-c2nc(C[N@@H+](Cc3ccccc3)C[C@@H]3CCC(=O)N3)c(C)o2)c(F)c1 ZINC000055327795 558879425 /nfs/dbraw/zinc/87/94/25/558879425.db2.gz QVQBBJQCPZOMEP-SFHVURJKSA-N 1 2 423.488 4.079 50 0 HIAALO COc1ccc(-c2nc(C[N@H+](Cc3ccccc3)C[C@@H]3CCC(=O)N3)c(C)o2)c(F)c1 ZINC000055327795 558879428 /nfs/dbraw/zinc/87/94/28/558879428.db2.gz QVQBBJQCPZOMEP-SFHVURJKSA-N 1 2 423.488 4.079 50 0 HIAALO O=C(C[NH+]1CCN(c2ccc(F)cc2)CC1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000057291808 558888040 /nfs/dbraw/zinc/88/80/40/558888040.db2.gz WPVCAEYQDMYSMN-UHFFFAOYSA-N 1 2 415.818 4.259 50 0 HIAALO Cc1nc2n(n1)C(=O)C([C@@H](c1ccc(Br)cc1)[NH+]1CCCCC1)S2 ZINC000023156999 559022036 /nfs/dbraw/zinc/02/20/36/559022036.db2.gz CROKKSNPLMWIKR-CQSZACIVSA-N 1 2 407.337 4.143 50 0 HIAALO COc1ccccc1C[N@@H+]1CCc2nc(SCc3cccc(C)c3)[nH]c(=O)c2C1 ZINC000033287264 559043873 /nfs/dbraw/zinc/04/38/73/559043873.db2.gz PWQBYPWXKSIVMG-UHFFFAOYSA-N 1 2 407.539 4.350 50 0 HIAALO COc1ccccc1C[N@H+]1CCc2nc(SCc3cccc(C)c3)[nH]c(=O)c2C1 ZINC000033287264 559043874 /nfs/dbraw/zinc/04/38/74/559043874.db2.gz PWQBYPWXKSIVMG-UHFFFAOYSA-N 1 2 407.539 4.350 50 0 HIAALO Cc1c(C(=O)N2CC[NH+](C)CC2)c(CC(C)C)nn1-c1ccc(Cl)c(Cl)c1 ZINC000096207168 559101379 /nfs/dbraw/zinc/10/13/79/559101379.db2.gz LFZUUFPLRKFMAE-UHFFFAOYSA-N 1 2 409.361 4.074 50 0 HIAALO O=C1C2=C(c3ccccc3)[NH2+]N(c3ccccc3)[C@@H]2C(=O)N1c1cccc(Cl)c1 ZINC000100738298 559260911 /nfs/dbraw/zinc/26/09/11/559260911.db2.gz GGKSNMOFUGECAQ-FPOVZHCZSA-N 1 2 401.853 4.123 50 0 HIAALO CCc1ccc2oc(=O)cc(C[NH+]3CCN(Cc4ccc(F)cc4Cl)CC3)c2c1 ZINC000019625745 560094220 /nfs/dbraw/zinc/09/42/20/560094220.db2.gz ARPMFGAHUJJAJK-UHFFFAOYSA-N 1 2 414.908 4.466 50 0 biogenic,in-vitro HIAALO COc1ccc(/N=c2\scc(-c3ccc(C)cc3)n2CCC[NH+]2CCOCC2)cc1 ZINC000005298946 560564017 /nfs/dbraw/zinc/56/40/17/560564017.db2.gz RHXVVKCJAONCBK-IZHYLOQSSA-N 1 2 423.582 4.488 50 0 HIAALO CC(C)(C)C(=O)CSc1[nH+]cnc2c1cnn2-c1ccc(Br)cc1 ZINC000005533093 560606147 /nfs/dbraw/zinc/60/61/47/560606147.db2.gz BQEDDKXMPHOVDA-UHFFFAOYSA-N 1 2 405.321 4.285 50 0 HIAALO Cc1cc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)c(C)n1-c1nccs1 ZINC000107544442 560896613 /nfs/dbraw/zinc/89/66/13/560896613.db2.gz IOUSMUYDKGJWRU-OALUTQOASA-N 1 2 416.497 4.004 50 0 HIAALO Cc1cc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)c(C)n1-c1nccs1 ZINC000107544442 560896614 /nfs/dbraw/zinc/89/66/14/560896614.db2.gz IOUSMUYDKGJWRU-OALUTQOASA-N 1 2 416.497 4.004 50 0 HIAALO C[NH+](C)[C@H](CNS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)c1ccsc1 ZINC000048312205 568437968 /nfs/dbraw/zinc/43/79/68/568437968.db2.gz XZHUDDULCMZROS-CYBMUJFWSA-N 1 2 413.779 4.290 50 0 HIAALO CCn1cc(NC(=O)N(CCCn2cc[nH+]c2)Cc2c(F)cccc2Cl)cn1 ZINC000048350727 568441171 /nfs/dbraw/zinc/44/11/71/568441171.db2.gz IYAZESBCFKAULP-UHFFFAOYSA-N 1 2 404.877 4.016 50 0 HIAALO CCOc1ccccc1NC(=O)C[NH+]1CCC(c2nnc(-c3ccco3)s2)CC1 ZINC000049363121 568447113 /nfs/dbraw/zinc/44/71/13/568447113.db2.gz DUIPYLADWGKLJU-UHFFFAOYSA-N 1 2 412.515 4.015 50 0 HIAALO CCOc1ccc([C@H](C)[NH2+]Cc2nc3ccc(Cl)cc3c(=O)[nH]2)cc1OCC ZINC000049580917 568452880 /nfs/dbraw/zinc/45/28/80/568452880.db2.gz ZAKHAIMZMNOBQT-ZDUSSCGKSA-N 1 2 401.894 4.225 50 0 HIAALO Cc1cccn2cc(CSc3nnc(-c4cccc(Br)c4)n3C)[nH+]c12 ZINC000008425186 568501368 /nfs/dbraw/zinc/50/13/68/568501368.db2.gz JGCDJUCREGPXAY-UHFFFAOYSA-N 1 2 414.332 4.493 50 0 HIAALO COc1ccc2ccccc2c1CCC(=O)N1CC([N@@H+]2CCc3sccc3C2)C1 ZINC000390828346 568591614 /nfs/dbraw/zinc/59/16/14/568591614.db2.gz QOMOHLRHISSFEJ-UHFFFAOYSA-N 1 2 406.551 4.112 50 0 HIAALO COc1ccc2ccccc2c1CCC(=O)N1CC([N@H+]2CCc3sccc3C2)C1 ZINC000390828346 568591615 /nfs/dbraw/zinc/59/16/15/568591615.db2.gz QOMOHLRHISSFEJ-UHFFFAOYSA-N 1 2 406.551 4.112 50 0 HIAALO O=C(Cc1c[nH+]cn1Cc1ccccc1)Nc1ccc(-c2cn3ccsc3n2)cc1 ZINC000225470725 568640936 /nfs/dbraw/zinc/64/09/36/568640936.db2.gz VAFRRLJXAZMQTH-UHFFFAOYSA-N 1 2 413.506 4.489 50 0 HIAALO Fc1ccc([C@@H]([NH2+]Cc2ccc3c(c2)OCO3)c2nnc(-c3ccccc3)o2)cc1 ZINC000020853065 568645317 /nfs/dbraw/zinc/64/53/17/568645317.db2.gz APAPITYGMLOIEJ-OAQYLSRUSA-N 1 2 403.413 4.484 50 0 HIAALO O=C(N[C@H](CO)c1cccc(Br)c1)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000095983352 568675574 /nfs/dbraw/zinc/67/55/74/568675574.db2.gz NPWUOMIVCFATAT-LJQANCHMSA-N 1 2 413.271 4.100 50 0 HIAALO COCCN(Cc1[nH+]ccn1Cc1ccc(Cl)cc1Cl)C(=O)NC(C)(C)C ZINC000096279644 568717455 /nfs/dbraw/zinc/71/74/55/568717455.db2.gz PFQKKLSIADYHCZ-UHFFFAOYSA-N 1 2 413.349 4.195 50 0 HIAALO Cc1cccc(Cc2c(C)[nH+]c(C(C)C)nc2N2CCN(C(=O)NC(C)C)CC2)c1 ZINC000096317246 568726191 /nfs/dbraw/zinc/72/61/91/568726191.db2.gz QYICOKHCEVKDRA-UHFFFAOYSA-N 1 2 409.578 4.048 50 0 HIAALO Cc1ccc(Cc2c(C)[nH+]c(C(C)C)nc2N2CCN(C(=O)NC(C)(C)C)CC2)cc1 ZINC000096317149 568726325 /nfs/dbraw/zinc/72/63/25/568726325.db2.gz LCLSVYMAVCHAAE-UHFFFAOYSA-N 1 2 423.605 4.438 50 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419.932 4.014 50 0 HIAALO COc1ccc2nc(N(CCCn3cc[nH+]c3)C(=O)c3cccc(F)c3)sc2c1 ZINC000007424692 569238155 /nfs/dbraw/zinc/23/81/55/569238155.db2.gz QNGLFFZIMNKCOC-UHFFFAOYSA-N 1 2 410.474 4.378 50 0 HIAALO C[C@@H](NC(=O)CCc1ncc(-c2ccc(F)cc2)o1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000014081067 569258503 /nfs/dbraw/zinc/25/85/03/569258503.db2.gz XHRLWFXGRBBVOW-MRXNPFEDSA-N 1 2 404.445 4.476 50 0 HIAALO CCCN(Cc1nnc(-c2cccs2)o1)C(=O)C[N@H+]1CC=C(c2ccccc2)CC1 ZINC000007647393 569298397 /nfs/dbraw/zinc/29/83/97/569298397.db2.gz ZWLZRQWCJRWWNG-UHFFFAOYSA-N 1 2 422.554 4.326 50 0 HIAALO CCCN(Cc1nnc(-c2cccs2)o1)C(=O)C[N@@H+]1CC=C(c2ccccc2)CC1 ZINC000007647393 569298399 /nfs/dbraw/zinc/29/83/99/569298399.db2.gz ZWLZRQWCJRWWNG-UHFFFAOYSA-N 1 2 422.554 4.326 50 0 HIAALO Cc1ccc(NC(=O)NC(=O)C[N@@H+]2CCC[C@@H]2c2nc3ccccc3s2)c(C)c1 ZINC000007909247 569321162 /nfs/dbraw/zinc/32/11/62/569321162.db2.gz QXCQXMBENIVGKG-GOSISDBHSA-N 1 2 408.527 4.398 50 0 HIAALO Cc1ccc(NC(=O)NC(=O)C[N@H+]2CCC[C@@H]2c2nc3ccccc3s2)c(C)c1 ZINC000007909247 569321164 /nfs/dbraw/zinc/32/11/64/569321164.db2.gz QXCQXMBENIVGKG-GOSISDBHSA-N 1 2 408.527 4.398 50 0 HIAALO COc1ccc(C[N@H+](C)CC(=O)Nc2cccc(Cl)c2Cl)c(OC)c1OC ZINC000013072774 569408663 /nfs/dbraw/zinc/40/86/63/569408663.db2.gz WELWKUVBEZFALP-UHFFFAOYSA-N 1 2 413.301 4.090 50 0 HIAALO COc1ccc(C[N@@H+](C)CC(=O)Nc2cccc(Cl)c2Cl)c(OC)c1OC ZINC000013072774 569408664 /nfs/dbraw/zinc/40/86/64/569408664.db2.gz WELWKUVBEZFALP-UHFFFAOYSA-N 1 2 413.301 4.090 50 0 HIAALO O=C(Nc1cc(C(F)(F)F)ccc1-n1cccn1)N[C@H]1CCC[C@H]1n1cc[nH+]c1 ZINC000078993007 569423130 /nfs/dbraw/zinc/42/31/30/569423130.db2.gz BYSDLYVTSCOPHK-GOEBONIOSA-N 1 2 404.396 4.003 50 0 HIAALO CCCCCCN(CC[NH+]1CCOCC1)C(=O)Nc1ccc(NC(=O)C(C)C)cc1 ZINC000079052572 569425729 /nfs/dbraw/zinc/42/57/29/569425729.db2.gz VREDLLYVSDHPOW-UHFFFAOYSA-N 1 2 418.582 4.028 50 0 HIAALO C[C@H]1Oc2ccccc2O[C@@H]1C(=O)NCC1CCC(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000038671660 571060722 /nfs/dbraw/zinc/06/07/22/571060722.db2.gz XRUANUHFTXMMAE-XFCVLYKQSA-N 1 2 405.498 4.181 50 0 HIAALO O=C(NCc1ccc[nH+]c1N1CCOCC1)Nc1ccccc1SC1CCCC1 ZINC000040104981 571166005 /nfs/dbraw/zinc/16/60/05/571166005.db2.gz PUORFHMOOSZJBL-UHFFFAOYSA-N 1 2 412.559 4.275 50 0 HIAALO Cn1cc[nH+]c1[C@H](NC(=O)CCOc1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000040131761 571184277 /nfs/dbraw/zinc/18/42/77/571184277.db2.gz WANJXCHXHCVGMY-LJQANCHMSA-N 1 2 404.297 4.402 50 0 HIAALO CC[C@H](c1nnc(SCc2nnc(-c3ccco3)o2)n1Cc1ccccc1)[NH+](C)C ZINC000009377155 571253057 /nfs/dbraw/zinc/25/30/57/571253057.db2.gz RPUKLQCSEFILTK-MRXNPFEDSA-N 1 2 424.530 4.274 50 0 HIAALO COc1ccc([C@H]2CC(c3ccc4ccccc4c3)=NN2C(=O)Cn2cc[nH+]c2)cc1 ZINC000009591511 571271858 /nfs/dbraw/zinc/27/18/58/571271858.db2.gz LXQFTBUFOPDWKC-XMMPIXPASA-N 1 2 410.477 4.423 50 0 HIAALO O=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000006627335 845216403 /nfs/dbraw/zinc/21/64/03/845216403.db2.gz GKNGNZGVZSHCQA-UHFFFAOYSA-N 1 2 415.465 4.173 50 0 HIAALO CN1CC[NH+](CCOc2ccccc2NC(=O)/C=C/c2cccc3ccccc23)CC1 ZINC000089382707 852544818 /nfs/dbraw/zinc/54/48/18/852544818.db2.gz XNIISFXLAYUMLG-BUHFOSPRSA-N 1 2 415.537 4.118 50 0 HIAALO O=C(Nc1ccc(C(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)cc1)c1ccco1 ZINC000096879004 852557113 /nfs/dbraw/zinc/55/71/13/852557113.db2.gz ACTCFNYUOXJCBU-YWEYNIOJSA-N 1 2 415.493 4.003 50 0 HIAALO O=C(N1CCC2(CC1)C[C@@H](CCOc1cc[nH+]cc1)CCO2)C1(c2ccccc2)CC1 ZINC000575553507 948678886 /nfs/dbraw/zinc/67/88/86/948678886.db2.gz VRTMCXIXBIISOI-NRFANRHFSA-N 1 2 420.553 4.370 50 0 HIAALO O=C(Nc1ccc2c(c1)OCCO2)N1CC2(C[C@H]1COc1cc[nH+]cc1)CCCCC2 ZINC000575559253 948680178 /nfs/dbraw/zinc/68/01/78/948680178.db2.gz NEJLCFZWUPQDGS-IBGZPJMESA-N 1 2 423.513 4.489 50 0 HIAALO O=c1c(Cl)c(N2CCC(c3[nH]c4ccccc4[nH+]3)CC2)cnn1-c1ccccc1 ZINC000009367013 132233985 /nfs/dbraw/zinc/23/39/85/132233985.db2.gz IFSUXGWWQXESNY-UHFFFAOYSA-N 1 2 405.889 4.146 50 0 HIAALO Cc1ccc(Nc2nc(NCCC3=CCCCC3)[nH+]c(N3CCOCC3)n2)cc1F ZINC000003014445 132261566 /nfs/dbraw/zinc/26/15/66/132261566.db2.gz JDIORUBKTCNMDI-UHFFFAOYSA-N 1 2 412.513 4.202 50 0 HIAALO Cc1cc(NC(=O)C[N@@H+](C)Cc2ccccc2N2CCCCC2)n(-c2ccccc2)n1 ZINC000008194355 132328679 /nfs/dbraw/zinc/32/86/79/132328679.db2.gz ORTCZWXNVDLQJT-UHFFFAOYSA-N 1 2 417.557 4.242 50 0 HIAALO Cc1cc(NC(=O)C[N@H+](C)Cc2ccccc2N2CCCCC2)n(-c2ccccc2)n1 ZINC000008194355 132328680 /nfs/dbraw/zinc/32/86/80/132328680.db2.gz ORTCZWXNVDLQJT-UHFFFAOYSA-N 1 2 417.557 4.242 50 0 HIAALO Cc1cc(N2CCN(C(=O)C(C)(C)Oc3ccc(Cl)cc3)CC2)nc(C(C)C)[nH+]1 ZINC000011077303 132347371 /nfs/dbraw/zinc/34/73/71/132347371.db2.gz MKASKNPQCXVNMH-UHFFFAOYSA-N 1 2 416.953 4.068 50 0 HIAALO CCCCC(=O)Nc1ccccc1N1CC[NH+](Cc2nc3ccccc3n2C)CC1 ZINC000020582140 519915794 /nfs/dbraw/zinc/91/57/94/519915794.db2.gz JKVGYRCCLFCHIQ-UHFFFAOYSA-N 1 2 405.546 4.024 50 0 HIAALO CC[C@@H]1c2ccsc2CC[N@H+]1CC(=O)Nc1ccccc1C(=O)NCc1ccco1 ZINC000030223743 523627276 /nfs/dbraw/zinc/62/72/76/523627276.db2.gz GDNLWFDRYBQXOD-HXUWFJFHSA-N 1 2 423.538 4.219 50 0 HIAALO CC[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)Nc1ccccc1C(=O)NCc1ccco1 ZINC000030223743 523627286 /nfs/dbraw/zinc/62/72/86/523627286.db2.gz GDNLWFDRYBQXOD-HXUWFJFHSA-N 1 2 423.538 4.219 50 0 HIAALO Cc1cccc(Nc2ccccc2C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)c1C ZINC000043749930 524700689 /nfs/dbraw/zinc/70/06/89/524700689.db2.gz USKSDEYYXRCBAV-UHFFFAOYSA-N 1 2 416.525 4.209 50 0 HIAALO Cc1ccc(-c2cnc(CCC(=O)N3CC[NH+](C/C=C/c4ccccc4)CC3)o2)cc1 ZINC000032863472 525768425 /nfs/dbraw/zinc/76/84/25/525768425.db2.gz GOXXBWWDGOJOGA-VMPITWQZSA-N 1 2 415.537 4.440 50 0 HIAALO O=C(NCCc1ccccc1)c1cccc(OC2CC[NH+](Cc3nccs3)CC2)c1 ZINC000020539438 526426786 /nfs/dbraw/zinc/42/67/86/526426786.db2.gz PJPUNTYCDXSCKW-UHFFFAOYSA-N 1 2 421.566 4.159 50 0 HIAALO O=C1Nc2ccc(S(=O)(=O)Nc3ccc([NH+]4CCCCC4)cc3)c3cccc1c23 ZINC000000937411 527089171 /nfs/dbraw/zinc/08/91/71/527089171.db2.gz RWEVTHCNWNCWMO-UHFFFAOYSA-N 1 2 407.495 4.197 50 0 HIAALO Cc1nc2sc3c(c2c2nc(-c4ccccc4Br)nn21)CC[N@@H+](C)C3 ZINC000020566743 527207761 /nfs/dbraw/zinc/20/77/61/527207761.db2.gz MFQIRPGYFRAFIH-UHFFFAOYSA-N 1 2 414.332 4.065 50 0 HIAALO Cc1nc2sc3c(c2c2nc(-c4ccccc4Br)nn21)CC[N@H+](C)C3 ZINC000020566743 527207766 /nfs/dbraw/zinc/20/77/66/527207766.db2.gz MFQIRPGYFRAFIH-UHFFFAOYSA-N 1 2 414.332 4.065 50 0 HIAALO Cc1nn(-c2ccccc2)c2sc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)cc12 ZINC000019825455 527555842 /nfs/dbraw/zinc/55/58/42/527555842.db2.gz AUDHCOIUQNNUOK-UHFFFAOYSA-N 1 2 416.550 4.353 50 0 HIAALO CC(C)CN(C[C@@H]1C[N@H+](Cc2ccccc2Cl)CCO1)C(=O)c1cccc(F)c1 ZINC000034691279 557371692 /nfs/dbraw/zinc/37/16/92/557371692.db2.gz PDQSKMGBGRVZCF-NRFANRHFSA-N 1 2 418.940 4.478 50 0 HIAALO CC(C)CN(C[C@@H]1C[N@@H+](Cc2ccccc2Cl)CCO1)C(=O)c1cccc(F)c1 ZINC000034691279 557371695 /nfs/dbraw/zinc/37/16/95/557371695.db2.gz PDQSKMGBGRVZCF-NRFANRHFSA-N 1 2 418.940 4.478 50 0 HIAALO Cc1ccc(OC[C@H](O)C[NH+]2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000022785910 557820387 /nfs/dbraw/zinc/82/03/87/557820387.db2.gz KMRGSEREAMYIHW-RUZDIDTESA-N 1 2 416.565 4.142 50 0 HIAALO Cc1ccc(S(=O)(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1C ZINC000019733280 558260078 /nfs/dbraw/zinc/26/00/78/558260078.db2.gz ZQEYQUIHJYHNLC-UHFFFAOYSA-N 1 2 420.578 4.399 50 0 HIAALO [NH2+]=c1n(Cc2ccc(Cl)cc2)c2ccccc2n1C[C@H](O)COc1ccccc1 ZINC000019757687 558275103 /nfs/dbraw/zinc/27/51/03/558275103.db2.gz GMUKVMJLLUJIIE-IBGZPJMESA-N 1 2 407.901 4.064 50 0 HIAALO Cn1cc(C[N@H+](C)Cc2nc3cc(Cl)ccc3[nH]2)c(-c2ccc3c(c2)OCCO3)n1 ZINC000011818972 558282040 /nfs/dbraw/zinc/28/20/40/558282040.db2.gz VMUJWNVREVTBML-UHFFFAOYSA-N 1 2 423.904 4.020 50 0 HIAALO Cn1cc(C[N@@H+](C)Cc2nc3cc(Cl)ccc3[nH]2)c(-c2ccc3c(c2)OCCO3)n1 ZINC000011818972 558282042 /nfs/dbraw/zinc/28/20/42/558282042.db2.gz VMUJWNVREVTBML-UHFFFAOYSA-N 1 2 423.904 4.020 50 0 HIAALO Cn1cc(C[N@H+](C)Cc2nc3ccc(Cl)cc3[nH]2)c(-c2ccc3c(c2)OCCO3)n1 ZINC000011818972 558282044 /nfs/dbraw/zinc/28/20/44/558282044.db2.gz VMUJWNVREVTBML-UHFFFAOYSA-N 1 2 423.904 4.020 50 0 HIAALO Cn1cc(C[N@@H+](C)Cc2nc3ccc(Cl)cc3[nH]2)c(-c2ccc3c(c2)OCCO3)n1 ZINC000011818972 558282045 /nfs/dbraw/zinc/28/20/45/558282045.db2.gz VMUJWNVREVTBML-UHFFFAOYSA-N 1 2 423.904 4.020 50 0 HIAALO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc(COc2ccc3c(c2)CCCC3)on1 ZINC000011818874 558282074 /nfs/dbraw/zinc/28/20/74/558282074.db2.gz CZMRRRDXKGFORC-JOCHJYFZSA-N 1 2 422.529 4.174 50 0 HIAALO OCC[C@H]1CN(Cc2nc(-c3ccccc3)cs2)CC[N@@H+]1Cc1ccc(F)cc1 ZINC000020256496 558352227 /nfs/dbraw/zinc/35/22/27/558352227.db2.gz SCDCXJKXJWWTFC-NRFANRHFSA-N 1 2 411.546 4.018 50 0 HIAALO OCC[C@H]1CN(Cc2nc(-c3ccccc3)cs2)CC[N@H+]1Cc1ccc(F)cc1 ZINC000020256496 558352230 /nfs/dbraw/zinc/35/22/30/558352230.db2.gz SCDCXJKXJWWTFC-NRFANRHFSA-N 1 2 411.546 4.018 50 0 HIAALO OCC[C@H]1C[N@H+](Cc2nc(-c3ccccc3)cs2)CCN1Cc1ccc(F)cc1 ZINC000020256496 558352234 /nfs/dbraw/zinc/35/22/34/558352234.db2.gz SCDCXJKXJWWTFC-NRFANRHFSA-N 1 2 411.546 4.018 50 0 HIAALO OCC[C@H]1C[N@@H+](Cc2nc(-c3ccccc3)cs2)CCN1Cc1ccc(F)cc1 ZINC000020256496 558352237 /nfs/dbraw/zinc/35/22/37/558352237.db2.gz SCDCXJKXJWWTFC-NRFANRHFSA-N 1 2 411.546 4.018 50 0 HIAALO O=C(c1nc2sccn2c1C[NH2+]Cc1csc(-c2ccccc2)n1)N1CCCC1 ZINC000012316365 558379676 /nfs/dbraw/zinc/37/96/76/558379676.db2.gz FSWGOBACPSZASO-UHFFFAOYSA-N 1 2 423.567 4.045 50 0 HIAALO FC(F)(F)c1ccc(-c2noc(C[N@@H+]3CCC[C@H](OCc4cccnc4)C3)n2)cc1 ZINC000012320629 558382314 /nfs/dbraw/zinc/38/23/14/558382314.db2.gz ZFSNXOWAHWDKLF-SFHVURJKSA-N 1 2 418.419 4.332 50 0 HIAALO FC(F)(F)c1ccc(-c2noc(C[N@H+]3CCC[C@H](OCc4cccnc4)C3)n2)cc1 ZINC000012320629 558382318 /nfs/dbraw/zinc/38/23/18/558382318.db2.gz ZFSNXOWAHWDKLF-SFHVURJKSA-N 1 2 418.419 4.332 50 0 HIAALO Cc1ccc(C2(c3noc(C[N@@H+]4CCC[C@@H](CN5CCCC5=O)C4)n3)CCCC2)cc1 ZINC000012386975 558395922 /nfs/dbraw/zinc/39/59/22/558395922.db2.gz PRVUFCHCUKPPPA-HXUWFJFHSA-N 1 2 422.573 4.073 50 0 HIAALO Cc1ccc(C2(c3noc(C[N@H+]4CCC[C@@H](CN5CCCC5=O)C4)n3)CCCC2)cc1 ZINC000012386975 558395925 /nfs/dbraw/zinc/39/59/25/558395925.db2.gz PRVUFCHCUKPPPA-HXUWFJFHSA-N 1 2 422.573 4.073 50 0 HIAALO C[N@@H+]1C[C@H](c2ccc(F)cc2)[C@H](C(=O)c2ccccc2)[C@]12C(=O)Nc1ccc(F)cc12 ZINC000020648079 558397529 /nfs/dbraw/zinc/39/75/29/558397529.db2.gz CTFNOKWXZQKDNU-OPJGWUQDSA-N 1 2 418.443 4.341 50 0 HIAALO C[N@H+]1C[C@H](c2ccc(F)cc2)[C@H](C(=O)c2ccccc2)[C@]12C(=O)Nc1ccc(F)cc12 ZINC000020648079 558397532 /nfs/dbraw/zinc/39/75/32/558397532.db2.gz CTFNOKWXZQKDNU-OPJGWUQDSA-N 1 2 418.443 4.341 50 0 HIAALO Cc1[nH]c(CN2CCC[C@H]2C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)c[nH+]1 ZINC000012446717 558414208 /nfs/dbraw/zinc/41/42/08/558414208.db2.gz TUQSOPCRMIQZGB-FQEVSTJZSA-N 1 2 401.470 4.129 50 0 HIAALO Cc1[nH]cc(CN2CCC[C@H]2C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)[nH+]1 ZINC000012446717 558414209 /nfs/dbraw/zinc/41/42/09/558414209.db2.gz TUQSOPCRMIQZGB-FQEVSTJZSA-N 1 2 401.470 4.129 50 0 HIAALO Cc1cccc(NC(=O)CSc2[nH+]cnc3c2cnn3-c2ccc(F)cc2)c1C ZINC000004341521 558425024 /nfs/dbraw/zinc/42/50/24/558425024.db2.gz KJXZONPQHUINFS-UHFFFAOYSA-N 1 2 407.474 4.302 50 0 HIAALO CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCCC[N@H+](CC)c1ccccc1 ZINC000072067218 558447615 /nfs/dbraw/zinc/44/76/15/558447615.db2.gz UQVDYFWCLSQETF-GBXCKJPGSA-N 1 2 421.585 4.019 50 0 HIAALO CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCCC[N@@H+](CC)c1ccccc1 ZINC000072067218 558447617 /nfs/dbraw/zinc/44/76/17/558447617.db2.gz UQVDYFWCLSQETF-GBXCKJPGSA-N 1 2 421.585 4.019 50 0 HIAALO O=C(c1cccnc1)[C@@H]1CCC[N@@H+](Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)C1 ZINC000012715088 558454590 /nfs/dbraw/zinc/45/45/90/558454590.db2.gz VMOFXHWCHCBPHF-MRXNPFEDSA-N 1 2 416.403 4.245 50 0 HIAALO O=C(c1cccnc1)[C@@H]1CCC[N@H+](Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)C1 ZINC000012715088 558454593 /nfs/dbraw/zinc/45/45/93/558454593.db2.gz VMOFXHWCHCBPHF-MRXNPFEDSA-N 1 2 416.403 4.245 50 0 HIAALO COc1ccc(C[N@H+](C)CC(=O)N(Cc2ccccc2)c2ccccc2)c(OC)c1 ZINC000022060252 558460599 /nfs/dbraw/zinc/46/05/99/558460599.db2.gz JJOBQYHCJVWHBM-UHFFFAOYSA-N 1 2 404.510 4.369 50 0 HIAALO COc1ccc(C[N@@H+](C)CC(=O)N(Cc2ccccc2)c2ccccc2)c(OC)c1 ZINC000022060252 558460603 /nfs/dbraw/zinc/46/06/03/558460603.db2.gz JJOBQYHCJVWHBM-UHFFFAOYSA-N 1 2 404.510 4.369 50 0 HIAALO O=C(C[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1)Nc1cccc(Cl)c1Cl ZINC000012981781 558493592 /nfs/dbraw/zinc/49/35/92/558493592.db2.gz CTEOKXAVGDTWLE-CQSZACIVSA-N 1 2 406.313 4.283 50 0 HIAALO O=C(C[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1)Nc1cccc(Cl)c1Cl ZINC000012981781 558493595 /nfs/dbraw/zinc/49/35/95/558493595.db2.gz CTEOKXAVGDTWLE-CQSZACIVSA-N 1 2 406.313 4.283 50 0 HIAALO Cc1ccccc1NC(=O)[C@H](C)N1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000022913996 558520832 /nfs/dbraw/zinc/52/08/32/558520832.db2.gz KXIUZZOOQRHSDL-KRWDZBQOSA-N 1 2 405.464 4.159 50 0 HIAALO Cc1ccccc1NC(=O)[C@H](C)[NH+]1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000022913996 558520834 /nfs/dbraw/zinc/52/08/34/558520834.db2.gz KXIUZZOOQRHSDL-KRWDZBQOSA-N 1 2 405.464 4.159 50 0 HIAALO Cc1cccc(N2CCN(c3[nH+]cnc4c3cnn4-c3ccc(C)cc3C)C[C@H]2C)c1 ZINC000013618718 558550131 /nfs/dbraw/zinc/55/01/31/558550131.db2.gz OERRJPGSRUNPKB-HXUWFJFHSA-N 1 2 412.541 4.456 50 0 HIAALO O=C(c1ccc(COc2ccccc2)cc1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000023845809 558577664 /nfs/dbraw/zinc/57/76/64/558577664.db2.gz IWOSUILDXQXUHW-UHFFFAOYSA-N 1 2 416.521 4.102 50 0 HIAALO O=C(NCc1ccccc1C[NH+]1CCOCC1)c1cccc(Oc2ccccc2)c1 ZINC000023872913 558578603 /nfs/dbraw/zinc/57/86/03/558578603.db2.gz AIYADIXLJFJEDG-UHFFFAOYSA-N 1 2 402.494 4.241 50 0 HIAALO Cc1[nH]c2ccc(F)cc2c1CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000024747499 558609653 /nfs/dbraw/zinc/60/96/53/558609653.db2.gz SQMNXLQKTHWSIO-UHFFFAOYSA-N 1 2 400.523 4.485 50 0 HIAALO COc1ccc(OCCSc2nnc([C@@H](C)[NH+](C)C)n2-c2ccc(F)cc2)cc1 ZINC000004500389 558612621 /nfs/dbraw/zinc/61/26/21/558612621.db2.gz RQOWBQLFWYHAKW-OAHLLOKOSA-N 1 2 416.522 4.209 50 0 HIAALO COc1ccc(C[NH+]2CCN(C(=O)c3cc(C4CC4)nc4ccccc43)CC2)cc1 ZINC000014168283 558626916 /nfs/dbraw/zinc/62/69/16/558626916.db2.gz QLPHJLOIWVMJHM-UHFFFAOYSA-N 1 2 401.510 4.079 50 0 HIAALO Cc1nn(Cc2ccc(C)cc2)c(C)c1C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000025665884 558646908 /nfs/dbraw/zinc/64/69/08/558646908.db2.gz HUCMBSAUCSKDGY-UHFFFAOYSA-N 1 2 413.525 4.031 50 0 HIAALO COc1ccc(OC)c(C[N@H+](CC(=O)Nc2ccccc2C(F)(F)F)C2CC2)c1 ZINC000027602826 558677173 /nfs/dbraw/zinc/67/71/73/558677173.db2.gz YWDUMUDOJREHQC-UHFFFAOYSA-N 1 2 408.420 4.326 50 0 HIAALO COc1ccc(OC)c(C[N@@H+](CC(=O)Nc2ccccc2C(F)(F)F)C2CC2)c1 ZINC000027602826 558677179 /nfs/dbraw/zinc/67/71/79/558677179.db2.gz YWDUMUDOJREHQC-UHFFFAOYSA-N 1 2 408.420 4.326 50 0 HIAALO COc1c(C)cc(C(=O)[C@H]2CCC[N@H+](Cc3nc(-c4ccccc4)no3)C2)cc1C ZINC000014977003 558689637 /nfs/dbraw/zinc/68/96/37/558689637.db2.gz DHNCQLYZUBOMHZ-IBGZPJMESA-N 1 2 405.498 4.457 50 0 HIAALO COc1c(C)cc(C(=O)[C@H]2CCC[N@@H+](Cc3nc(-c4ccccc4)no3)C2)cc1C ZINC000014977003 558689641 /nfs/dbraw/zinc/68/96/41/558689641.db2.gz DHNCQLYZUBOMHZ-IBGZPJMESA-N 1 2 405.498 4.457 50 0 HIAALO CCN(C(=O)Cn1c2ccccc2[nH+]c1NC[C@H](C)O)c1cccc2ccccc21 ZINC000028914702 558707239 /nfs/dbraw/zinc/70/72/39/558707239.db2.gz RHIVHFYKZOJUIZ-KRWDZBQOSA-N 1 2 402.498 4.035 50 0 HIAALO Cc1c(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)sc2nc(C3CC3)nc(C)c12 ZINC000030217057 558728123 /nfs/dbraw/zinc/72/81/23/558728123.db2.gz NYEXHIIYFOXIMB-UHFFFAOYSA-N 1 2 417.538 4.360 50 0 HIAALO O=C(C[N@H+]1CC=C(c2ccccc2)CC1)Nc1ccnn1Cc1cccc(Cl)c1 ZINC000030633917 558734758 /nfs/dbraw/zinc/73/47/58/558734758.db2.gz LOEKYQSDMSFCQB-UHFFFAOYSA-N 1 2 406.917 4.313 50 0 HIAALO O=C(C[N@@H+]1CC=C(c2ccccc2)CC1)Nc1ccnn1Cc1cccc(Cl)c1 ZINC000030633917 558734760 /nfs/dbraw/zinc/73/47/60/558734760.db2.gz LOEKYQSDMSFCQB-UHFFFAOYSA-N 1 2 406.917 4.313 50 0 HIAALO CCOC(=O)c1c(NC(=O)C[N@@H+]2CCc3ccccc3C2)sc2c1CC[C@H](C)C2 ZINC000034852210 558785058 /nfs/dbraw/zinc/78/50/58/558785058.db2.gz FJUHMBRKVQEXHX-HNNXBMFYSA-N 1 2 412.555 4.046 50 0 HIAALO CCOC(=O)c1c(NC(=O)C[N@H+]2CCc3ccccc3C2)sc2c1CC[C@H](C)C2 ZINC000034852210 558785061 /nfs/dbraw/zinc/78/50/61/558785061.db2.gz FJUHMBRKVQEXHX-HNNXBMFYSA-N 1 2 412.555 4.046 50 0 HIAALO Cc1ccc(Cl)cc1NC(=S)N(CCC[NH+]1CCOCC1)Cc1ccco1 ZINC000013573252 558844777 /nfs/dbraw/zinc/84/47/77/558844777.db2.gz GGVYVSNOXGCGSJ-UHFFFAOYSA-N 1 2 407.967 4.163 50 0 HIAALO O=C(c1c[nH+]c2ccc(F)cc2c1N1CCc2ccccc2C1)N1CCSCC1 ZINC000072328407 558863804 /nfs/dbraw/zinc/86/38/04/558863804.db2.gz VJDIGIFXZOORNO-UHFFFAOYSA-N 1 2 407.514 4.126 50 0 HIAALO CSc1ccc(CNC(=O)C2CCN(c3[nH]c4ccc(Cl)cc4[nH+]3)CC2)cc1 ZINC000033071196 558866635 /nfs/dbraw/zinc/86/66/35/558866635.db2.gz YAZUZODDCXHGFE-UHFFFAOYSA-N 1 2 414.962 4.471 50 0 HIAALO COc1cc(C(=O)Nc2ccc3[nH+]c(N4CCCC4)cc(C)c3c2)cc(OC)c1OC ZINC000033084604 558868796 /nfs/dbraw/zinc/86/87/96/558868796.db2.gz LRQJFVNKAXZSBL-UHFFFAOYSA-N 1 2 421.497 4.422 50 0 HIAALO CCc1cc2oc(=O)cc(C[NH+]3CCN(c4ccccc4OC)CC3)c2cc1Cl ZINC000058158080 558903616 /nfs/dbraw/zinc/90/36/16/558903616.db2.gz VMOZIQDSHHCNLF-UHFFFAOYSA-N 1 2 412.917 4.340 50 0 HIAALO O=C(C[N@@H+]1CCCC[C@@H]1c1nc2ccccc2s1)N1CCC(c2ccccc2)=N1 ZINC000058160556 558905055 /nfs/dbraw/zinc/90/50/55/558905055.db2.gz QKMDPEDWNVUFIW-HXUWFJFHSA-N 1 2 404.539 4.460 50 0 HIAALO O=C(C[N@H+]1CCCC[C@@H]1c1nc2ccccc2s1)N1CCC(c2ccccc2)=N1 ZINC000058160556 558905056 /nfs/dbraw/zinc/90/50/56/558905056.db2.gz QKMDPEDWNVUFIW-HXUWFJFHSA-N 1 2 404.539 4.460 50 0 HIAALO Cc1cccc(N2CC[N@@H+](CC(=O)Nc3ccc(SC(F)F)cc3)C[C@@H]2C)c1 ZINC000058160550 558905095 /nfs/dbraw/zinc/90/50/95/558905095.db2.gz HKIUXPHTFMXBAP-INIZCTEOSA-N 1 2 405.514 4.459 50 0 HIAALO Cc1cccc(N2CC[N@H+](CC(=O)Nc3ccc(SC(F)F)cc3)C[C@@H]2C)c1 ZINC000058160550 558905097 /nfs/dbraw/zinc/90/50/97/558905097.db2.gz HKIUXPHTFMXBAP-INIZCTEOSA-N 1 2 405.514 4.459 50 0 HIAALO CCCN(C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1)[C@@H]1CCc2ccccc21 ZINC000058173519 558908544 /nfs/dbraw/zinc/90/85/44/558908544.db2.gz BLNRHGRTMKUTRJ-RPBOFIJWSA-N 1 2 421.585 4.477 50 0 HIAALO CC(C)c1cc(C(=O)NCc2cn3cc(Br)ccc3[nH+]2)nn1C(C)(C)C ZINC000058393395 558923715 /nfs/dbraw/zinc/92/37/15/558923715.db2.gz MHRLRFNCJIIYCM-UHFFFAOYSA-N 1 2 418.339 4.102 50 0 HIAALO CC[N@H+](Cc1nc(C)no1)Cc1cc2cc3c(cc2nc1-c1ccc(F)cc1)OCO3 ZINC000072431977 558979347 /nfs/dbraw/zinc/97/93/47/558979347.db2.gz DVUASAHJLDZKFF-UHFFFAOYSA-N 1 2 420.444 4.483 50 0 HIAALO CC[N@@H+](Cc1nc(C)no1)Cc1cc2cc3c(cc2nc1-c1ccc(F)cc1)OCO3 ZINC000072431977 558979351 /nfs/dbraw/zinc/97/93/51/558979351.db2.gz DVUASAHJLDZKFF-UHFFFAOYSA-N 1 2 420.444 4.483 50 0 HIAALO C[N@@H+]1C[C@H](c2ccc(Cl)cc2)[C@H](C(=O)c2ccco2)[C@@]12C(=O)Nc1ccccc12 ZINC000043732536 558990599 /nfs/dbraw/zinc/99/05/99/558990599.db2.gz GHMGJMTZSQKKKW-LQNXUBFPSA-N 1 2 406.869 4.309 50 0 HIAALO C[N@H+]1C[C@H](c2ccc(Cl)cc2)[C@H](C(=O)c2ccco2)[C@@]12C(=O)Nc1ccccc12 ZINC000043732536 558990601 /nfs/dbraw/zinc/99/06/01/558990601.db2.gz GHMGJMTZSQKKKW-LQNXUBFPSA-N 1 2 406.869 4.309 50 0 HIAALO COc1cccc([C@H]2C(C(=O)N3CCCCC3)=C(C)Nc3[nH+]c4ccccc4n32)c1 ZINC000004786869 559063936 /nfs/dbraw/zinc/06/39/36/559063936.db2.gz HILSVKMHHXMSFS-QFIPXVFZSA-N 1 2 402.498 4.346 50 0 HIAALO CC[NH+]1CCN(C(=O)c2cnc(-c3ccccc3)nc2Oc2cccc(Cl)c2)CC1 ZINC000096210036 559101338 /nfs/dbraw/zinc/10/13/38/559101338.db2.gz SXMKEVLTBADZAY-UHFFFAOYSA-N 1 2 422.916 4.367 50 0 HIAALO Cc1ccc(C)c(NC(=O)[C@@H](Sc2[nH+]cnc3c2cnn3C)c2ccccc2)c1 ZINC000011676970 559173002 /nfs/dbraw/zinc/17/30/02/559173002.db2.gz UVXOKVMDHYZPJM-IBGZPJMESA-N 1 2 403.511 4.452 50 0 HIAALO C[C@@H](Sc1[nH+]cnc2c1cnn2C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000011680885 559173644 /nfs/dbraw/zinc/17/36/44/559173644.db2.gz LJXRVIJAXDDJDE-MRVPVSSYSA-N 1 2 415.828 4.155 50 0 HIAALO O=C(CSc1ccc(-c2ccc(-n3cc[nH+]c3)cc2)nn1)Nc1ccc(F)cc1 ZINC000005143173 559252036 /nfs/dbraw/zinc/25/20/36/559252036.db2.gz JURNAXVJYIOFSD-UHFFFAOYSA-N 1 2 405.458 4.199 50 0 HIAALO Cc1ccc(NC(=O)CSc2ccc(-c3ccc(-n4cc[nH+]c4)cc3)nn2)cc1 ZINC000005143149 559252068 /nfs/dbraw/zinc/25/20/68/559252068.db2.gz SRFURNFVAWGYHU-UHFFFAOYSA-N 1 2 401.495 4.369 50 0 HIAALO O=c1c2ccccc2nc(SCc2cn3ccccc3[nH+]2)n1-c1ccccc1F ZINC000005643557 560636074 /nfs/dbraw/zinc/63/60/74/560636074.db2.gz OSVVSIMDPNMJNO-UHFFFAOYSA-N 1 2 402.454 4.465 50 0 HIAALO Cc1sc2[nH]c(CSc3[nH+]cnc4c3cnn4-c3ccccc3)nc(=O)c2c1C ZINC000008882317 560640067 /nfs/dbraw/zinc/64/00/67/560640067.db2.gz YXYWWJCGHMCESM-UHFFFAOYSA-N 1 2 420.523 4.023 50 0 HIAALO Cc1cc(C)cc(NC(=O)C[N@@H+]2CCc3[nH]c4c(C)c(Cl)ccc4c(=O)c3C2)c1 ZINC000049003183 568446294 /nfs/dbraw/zinc/44/62/94/568446294.db2.gz ABEFWJAXYGGELL-UHFFFAOYSA-N 1 2 409.917 4.104 50 0 HIAALO Cc1cc(C)cc(NC(=O)C[N@H+]2CCc3[nH]c4c(C)c(Cl)ccc4c(=O)c3C2)c1 ZINC000049003183 568446295 /nfs/dbraw/zinc/44/62/95/568446295.db2.gz ABEFWJAXYGGELL-UHFFFAOYSA-N 1 2 409.917 4.104 50 0 HIAALO Cc1ccc(-c2noc(C3CC[NH+](CC(=O)Nc4cc(F)ccc4C)CC3)n2)cc1 ZINC000049403301 568448251 /nfs/dbraw/zinc/44/82/51/568448251.db2.gz LVSSVTAIHUVYHE-UHFFFAOYSA-N 1 2 408.477 4.311 50 0 HIAALO O=C(N1CCN(c2cccc[nH+]2)CC1)C12C[C@@H]3C[C@H](C1)CC(c1ccccc1)(C3)C2 ZINC000049935042 568453679 /nfs/dbraw/zinc/45/36/79/568453679.db2.gz ZQFHOPVFLVZTJB-JGSRLKPESA-N 1 2 401.554 4.268 50 0 HIAALO CN(C)c1nc(Nc2ccc(OC(F)(F)Cl)cc2)nc(NCc2ccccc2)[nH+]1 ZINC000000718755 568465955 /nfs/dbraw/zinc/46/59/55/568465955.db2.gz XQWMXVFEVVEAOG-UHFFFAOYSA-N 1 2 420.851 4.461 50 0 HIAALO CC(C)c1c(C(=O)NCc2ccccc2Cn2cc[nH+]c2)cnn1-c1ccc(F)cc1 ZINC000024859200 568472751 /nfs/dbraw/zinc/47/27/51/568472751.db2.gz MENXLGAFXQLQMH-UHFFFAOYSA-N 1 2 417.488 4.310 50 0 HIAALO COc1ccc(C)cc1NC(=O)CSc1[nH+]cnc2c1cnn2-c1ccc(C)cc1 ZINC000000790157 568478865 /nfs/dbraw/zinc/47/88/65/568478865.db2.gz BQJGTXSUMYQEFN-UHFFFAOYSA-N 1 2 419.510 4.172 50 0 HIAALO C[C@H](c1ccc(F)cc1)[NH+]1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000022849395 568500154 /nfs/dbraw/zinc/50/01/54/568500154.db2.gz SHLNWNHGBBHZHL-OAHLLOKOSA-N 1 2 400.885 4.408 50 0 HIAALO CCCC[N@H+](CCNP(=O)(OCC)OCC)CP(=O)(OCC)OCC ZINC000020023634 568586208 /nfs/dbraw/zinc/58/62/08/568586208.db2.gz AEWFLRDOQHBROH-UHFFFAOYSA-N 1 2 402.409 4.083 50 0 HIAALO CCCC[N@@H+](CCNP(=O)(OCC)OCC)CP(=O)(OCC)OCC ZINC000020023634 568586211 /nfs/dbraw/zinc/58/62/11/568586211.db2.gz AEWFLRDOQHBROH-UHFFFAOYSA-N 1 2 402.409 4.083 50 0 HIAALO CCOc1ccc(C[N@@H+]2CCc3nc(N4CCC(C)CC4)ncc3C2)cc1OCC ZINC000021039586 568659730 /nfs/dbraw/zinc/65/97/30/568659730.db2.gz MRLRYJIPOVYPOK-UHFFFAOYSA-N 1 2 410.562 4.069 50 0 HIAALO CCOc1ccc(C[N@H+]2CCc3nc(N4CCC(C)CC4)ncc3C2)cc1OCC ZINC000021039586 568659733 /nfs/dbraw/zinc/65/97/33/568659733.db2.gz MRLRYJIPOVYPOK-UHFFFAOYSA-N 1 2 410.562 4.069 50 0 HIAALO Cc1cc(Br)cc(C)c1NCc1[nH+]ccn1CCOCC(F)(F)F ZINC000096012843 568685056 /nfs/dbraw/zinc/68/50/56/568685056.db2.gz OMHSLXLNWLYWDJ-UHFFFAOYSA-N 1 2 406.246 4.453 50 0 HIAALO C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000096297641 568722508 /nfs/dbraw/zinc/72/25/08/568722508.db2.gz PDMONCODNSXZOW-GNJLHFKMSA-N 1 2 417.475 4.363 50 0 HIAALO Cc1cccc(Cc2c(C)[nH+]c(C3CC3)nc2N2CCN(C(=O)NC(C)(C)C)CC2)c1 ZINC000096317247 568726256 /nfs/dbraw/zinc/72/62/56/568726256.db2.gz ISZMARJJNVZMHC-UHFFFAOYSA-N 1 2 421.589 4.192 50 0 HIAALO C[NH+](C)[C@H](c1nc([C@@H](NC(=O)OC(C)(C)C)c2ccccc2)no1)c1ccccc1 ZINC000240626799 568730331 /nfs/dbraw/zinc/73/03/31/568730331.db2.gz HJECVIKFKKHPOP-OALUTQOASA-N 1 2 408.502 4.335 50 0 HIAALO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@H+](Cc2noc(-c3ccc(C)cc3)n2)C1 ZINC000021724885 568751597 /nfs/dbraw/zinc/75/15/97/568751597.db2.gz QEPWLOKNSVYVPC-IBGZPJMESA-N 1 2 420.513 4.213 50 0 HIAALO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@@H+](Cc2noc(-c3ccc(C)cc3)n2)C1 ZINC000021724885 568751599 /nfs/dbraw/zinc/75/15/99/568751599.db2.gz QEPWLOKNSVYVPC-IBGZPJMESA-N 1 2 420.513 4.213 50 0 HIAALO Cc1ccc(Nc2cc(N3CCN(C(=O)c4ccc(C)cc4)CC3)[nH+]c(C)n2)cc1 ZINC000021793907 568753116 /nfs/dbraw/zinc/75/31/16/568753116.db2.gz CUXMBAULNSSGKV-UHFFFAOYSA-N 1 2 401.514 4.108 50 0 HIAALO O=C(C[NH+]1CCN(c2ccccc2)CC1)Nc1cccc(-c2cnc3ccccc3n2)c1 ZINC000052530428 568769554 /nfs/dbraw/zinc/76/95/54/568769554.db2.gz KANPWRCCZWMBEX-UHFFFAOYSA-N 1 2 423.520 4.058 50 0 HIAALO Cn1cccc1[C@@H]1CCC[N@@H+]1Cc1nc(=O)c2c(-c3ccc(F)cc3)csc2[nH]1 ZINC000057293291 568826208 /nfs/dbraw/zinc/82/62/08/568826208.db2.gz XLXUBFOMEFPXNN-SFHVURJKSA-N 1 2 408.502 4.466 50 0 HIAALO Cn1cccc1[C@@H]1CCC[N@H+]1Cc1nc(=O)c2c(-c3ccc(F)cc3)csc2[nH]1 ZINC000057293291 568826210 /nfs/dbraw/zinc/82/62/10/568826210.db2.gz XLXUBFOMEFPXNN-SFHVURJKSA-N 1 2 408.502 4.466 50 0 HIAALO CCOC(=O)c1oc2ccccc2c1C[NH+]1CCN(c2ccc(C(C)=O)cc2)CC1 ZINC000057303789 568826339 /nfs/dbraw/zinc/82/63/39/568826339.db2.gz WJSHWRLDOFIPTQ-UHFFFAOYSA-N 1 2 406.482 4.134 50 0 HIAALO COc1ccc(N(Cc2cccs2)C(=O)C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000057378816 568830298 /nfs/dbraw/zinc/83/02/98/568830298.db2.gz AIFOARPAPYGBGO-UHFFFAOYSA-N 1 2 421.566 4.112 50 0 HIAALO CCOC(=O)[C@H]1CCC[N@H+](Cc2nc(-c3ccc(OCc4ccccc4)cc3)no2)C1 ZINC000057427759 568835870 /nfs/dbraw/zinc/83/58/70/568835870.db2.gz RIHZZBPWHIZUGA-FQEVSTJZSA-N 1 2 421.497 4.091 50 0 HIAALO CCOC(=O)[C@H]1CCC[N@@H+](Cc2nc(-c3ccc(OCc4ccccc4)cc3)no2)C1 ZINC000057427759 568835872 /nfs/dbraw/zinc/83/58/72/568835872.db2.gz RIHZZBPWHIZUGA-FQEVSTJZSA-N 1 2 421.497 4.091 50 0 HIAALO CCC[N@H+](Cc1nnc(-c2cccs2)o1)[C@@H](C(=O)N1CCCC1)c1ccccc1 ZINC000057473995 568839263 /nfs/dbraw/zinc/83/92/63/568839263.db2.gz VOHDKSUNORASRC-HXUWFJFHSA-N 1 2 410.543 4.374 50 0 HIAALO CCC[N@@H+](Cc1nnc(-c2cccs2)o1)[C@@H](C(=O)N1CCCC1)c1ccccc1 ZINC000057473995 568839264 /nfs/dbraw/zinc/83/92/64/568839264.db2.gz VOHDKSUNORASRC-HXUWFJFHSA-N 1 2 410.543 4.374 50 0 HIAALO S=c1n(CCc2ccccc2)c2ccccc2n1C[NH+]1CCC2(CC1)OCCO2 ZINC000012522770 568842197 /nfs/dbraw/zinc/84/21/97/568842197.db2.gz XNIHYBAYVPRUBB-UHFFFAOYSA-N 1 2 409.555 4.211 50 0 HIAALO COc1cc(C(=O)NCCn2c(C)[nH+]c3ccccc32)ccc1OCc1ccccc1 ZINC000012534926 568844858 /nfs/dbraw/zinc/84/48/58/568844858.db2.gz ZDRUHDIPOCCERU-UHFFFAOYSA-N 1 2 415.493 4.362 50 0 HIAALO COc1ccc([C@@H](NC(=O)CSCc2ccc(Cl)s2)c2[nH+]ccn2C)cc1 ZINC000012547849 568851097 /nfs/dbraw/zinc/85/10/97/568851097.db2.gz IBCCOQPYLYQYNW-GOSISDBHSA-N 1 2 421.975 4.283 50 0 HIAALO CCOc1ccc([C@@H]2CCC[N@@H+]2Cc2nc(N)nc(Nc3ccccc3CC)n2)cc1 ZINC000057547507 568852757 /nfs/dbraw/zinc/85/27/57/568852757.db2.gz PIDILHDEQQZVIK-NRFANRHFSA-N 1 2 418.545 4.496 50 0 HIAALO CCOc1ccc([C@@H]2CCC[N@H+]2Cc2nc(N)nc(Nc3ccccc3CC)n2)cc1 ZINC000057547507 568852758 /nfs/dbraw/zinc/85/27/58/568852758.db2.gz PIDILHDEQQZVIK-NRFANRHFSA-N 1 2 418.545 4.496 50 0 HIAALO Cc1cccc(N2CC[NH+](CC(=O)Nc3ccc(SC(F)F)cc3)CC2)c1C ZINC000057600739 568854952 /nfs/dbraw/zinc/85/49/52/568854952.db2.gz ZGDDUIYEFKSPFU-UHFFFAOYSA-N 1 2 405.514 4.379 50 0 HIAALO CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000012560194 568857454 /nfs/dbraw/zinc/85/74/54/568857454.db2.gz NWUQMSASUSKHOO-HXOBKFHXSA-N 1 2 400.482 4.014 50 0 HIAALO Cn1cc[nH+]c1[C@H](NC(=O)COc1cc(Cl)ccc1Cl)c1ccc(F)cc1 ZINC000012576098 568862635 /nfs/dbraw/zinc/86/26/35/568862635.db2.gz VISFVKMBRRVORH-GOSISDBHSA-N 1 2 408.260 4.151 50 0 HIAALO Cc1ccc(CNC(=O)c2nnc(C[NH2+][C@@H](c3ccc(F)cc3)C(C)C)s2)cc1 ZINC000012736877 568925639 /nfs/dbraw/zinc/92/56/39/568925639.db2.gz DJNMKFWXWBXPHY-HXUWFJFHSA-N 1 2 412.534 4.403 50 0 HIAALO CCN1CC[NH+](CCNc2nc(-c3cccs3)nc3sc(C)c(C)c32)CC1 ZINC000031784579 568931281 /nfs/dbraw/zinc/93/12/81/568931281.db2.gz NFESLRDYLGOTAH-UHFFFAOYSA-N 1 2 401.605 4.086 50 0 HIAALO COC(=O)c1ccc(C)c(NC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)c1 ZINC000084186098 568943910 /nfs/dbraw/zinc/94/39/10/568943910.db2.gz LFKDRSBHASHFHB-SFTDATJTSA-N 1 2 404.470 4.028 50 0 HIAALO COC(=O)c1ccccc1N(C)C(=O)C[N@@H+]1CCc2sccc2[C@H]1c1ccccc1 ZINC000012769838 568950717 /nfs/dbraw/zinc/95/07/17/568950717.db2.gz SHUUITROXVKVPZ-HSZRJFAPSA-N 1 2 420.534 4.145 50 0 HIAALO COC(=O)c1ccccc1N(C)C(=O)C[N@H+]1CCc2sccc2[C@H]1c1ccccc1 ZINC000012769838 568950718 /nfs/dbraw/zinc/95/07/18/568950718.db2.gz SHUUITROXVKVPZ-HSZRJFAPSA-N 1 2 420.534 4.145 50 0 HIAALO COc1cc2c(cc1OC)[C@@H](c1ccccc1)[N@H+](CC(=O)N(C)c1ccccc1)CC2 ZINC000012772383 568952002 /nfs/dbraw/zinc/95/20/02/568952002.db2.gz DHCMUDLDDJNIEQ-AREMUKBSSA-N 1 2 416.521 4.314 50 0 HIAALO COc1cc2c(cc1OC)[C@@H](c1ccccc1)[N@@H+](CC(=O)N(C)c1ccccc1)CC2 ZINC000012772383 568952004 /nfs/dbraw/zinc/95/20/04/568952004.db2.gz DHCMUDLDDJNIEQ-AREMUKBSSA-N 1 2 416.521 4.314 50 0 HIAALO Cc1ccc(C)c(S(=O)(=O)Nc2ccc(Nc3cc(N(C)C)[nH+]c(C)n3)cc2)c1 ZINC000015671321 568961807 /nfs/dbraw/zinc/96/18/07/568961807.db2.gz MNMKQOBKSRYBRX-UHFFFAOYSA-N 1 2 411.531 4.012 50 0 HIAALO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2[nH+]cnc3c2cnn3-c2ccccc2)c1C ZINC000008324348 568990953 /nfs/dbraw/zinc/99/09/53/568990953.db2.gz REAOKFJOUSBJRO-HNNXBMFYSA-N 1 2 419.510 4.327 50 0 HIAALO Cc1ccc(NC(=O)C[N@@H+](Cc2cccs2)C[C@@H]2CCCO2)cc1Br ZINC000012854107 569010651 /nfs/dbraw/zinc/01/06/51/569010651.db2.gz BRPGAHLLQSQTGV-INIZCTEOSA-N 1 2 423.376 4.439 50 0 HIAALO Cc1ccc(NC(=O)C[N@H+](Cc2cccs2)C[C@@H]2CCCO2)cc1Br ZINC000012854107 569010652 /nfs/dbraw/zinc/01/06/52/569010652.db2.gz BRPGAHLLQSQTGV-INIZCTEOSA-N 1 2 423.376 4.439 50 0 HIAALO O=C(Nc1nc(C[NH+]2CCCC2)cs1)c1cc2cc(Br)ccc2[nH]1 ZINC000012913717 569022077 /nfs/dbraw/zinc/02/20/77/569022077.db2.gz HTEOWUJNETZPIF-UHFFFAOYSA-N 1 2 405.321 4.235 50 0 HIAALO CCOc1ccc(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccc(Cl)cc2)cc1OCC ZINC000016261805 569030323 /nfs/dbraw/zinc/03/03/23/569030323.db2.gz QATPUBSXGUQZEG-HXUWFJFHSA-N 1 2 413.905 4.390 50 0 HIAALO Cc1ccc(Cc2c(C)[nH+]c(C)nc2N2CCN(C(=O)c3ccc(F)cc3)CC2)cc1 ZINC000035769054 569058154 /nfs/dbraw/zinc/05/81/54/569058154.db2.gz XEKFFQUOSMJKRU-UHFFFAOYSA-N 1 2 418.516 4.094 50 0 HIAALO Cc1ccc(-c2csc3c2[nH]c(N2CC[NH+](Cc4ccccc4)CC2)nc3=O)cc1 ZINC000064611574 569074380 /nfs/dbraw/zinc/07/43/80/569074380.db2.gz PWPURNZRBWYOPE-UHFFFAOYSA-N 1 2 416.550 4.282 50 0 HIAALO COc1ccc(OC[C@@H](O)C[N@H+](Cc2ccco2)Cc2ccc(F)cc2F)cc1 ZINC000036104050 569092419 /nfs/dbraw/zinc/09/24/19/569092419.db2.gz GXRFNQSTVSEIEG-SFHVURJKSA-N 1 2 403.425 4.009 50 0 HIAALO COc1ccc(OC[C@@H](O)C[N@@H+](Cc2ccco2)Cc2ccc(F)cc2F)cc1 ZINC000036104050 569092420 /nfs/dbraw/zinc/09/24/20/569092420.db2.gz GXRFNQSTVSEIEG-SFHVURJKSA-N 1 2 403.425 4.009 50 0 HIAALO CCCN(C)c1cc(C)[nH+]c(SCc2cccc(C(=O)NCc3cccnc3)c2)n1 ZINC000006712153 569097293 /nfs/dbraw/zinc/09/72/93/569097293.db2.gz OQGFAHDYSIZTLD-UHFFFAOYSA-N 1 2 421.570 4.249 50 0 HIAALO C[N@H+](Cc1ccco1)[C@H](CNS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000006809556 569133487 /nfs/dbraw/zinc/13/34/87/569133487.db2.gz KEHALVDTVOHJSC-HXUWFJFHSA-N 1 2 404.919 4.085 50 0 HIAALO C[N@@H+](Cc1ccco1)[C@H](CNS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000006809556 569133489 /nfs/dbraw/zinc/13/34/89/569133489.db2.gz KEHALVDTVOHJSC-HXUWFJFHSA-N 1 2 404.919 4.085 50 0 HIAALO Cc1ccc(NC(=O)C[N@@H+]2CCc3[nH]c4c(C)c(C)ccc4c(=O)c3C2)cc1Cl ZINC000065034878 569158465 /nfs/dbraw/zinc/15/84/65/569158465.db2.gz GVMKRSLCZFZCNE-UHFFFAOYSA-N 1 2 409.917 4.104 50 0 HIAALO Cc1ccc(NC(=O)C[N@H+]2CCc3[nH]c4c(C)c(C)ccc4c(=O)c3C2)cc1Cl ZINC000065034878 569158467 /nfs/dbraw/zinc/15/84/67/569158467.db2.gz GVMKRSLCZFZCNE-UHFFFAOYSA-N 1 2 409.917 4.104 50 0 HIAALO CC[N@H+](Cc1nnc2cc(-c3nc(-c4ccccc4)no3)ccn21)Cc1ccccc1 ZINC000169781041 569174318 /nfs/dbraw/zinc/17/43/18/569174318.db2.gz XZTPMOOJBJNNJV-UHFFFAOYSA-N 1 2 410.481 4.468 50 0 HIAALO CC[N@@H+](Cc1nnc2cc(-c3nc(-c4ccccc4)no3)ccn21)Cc1ccccc1 ZINC000169781041 569174319 /nfs/dbraw/zinc/17/43/19/569174319.db2.gz XZTPMOOJBJNNJV-UHFFFAOYSA-N 1 2 410.481 4.468 50 0 HIAALO O=C(C[N@@H+]1CCc2sccc2[C@@H]1c1cccs1)NC(=O)Nc1ccccc1F ZINC000036442624 569184010 /nfs/dbraw/zinc/18/40/10/569184010.db2.gz AHXSWNIOTMBDHV-LJQANCHMSA-N 1 2 415.515 4.245 50 0 HIAALO O=C(C[N@H+]1CCc2sccc2[C@@H]1c1cccs1)NC(=O)Nc1ccccc1F ZINC000036442624 569184012 /nfs/dbraw/zinc/18/40/12/569184012.db2.gz AHXSWNIOTMBDHV-LJQANCHMSA-N 1 2 415.515 4.245 50 0 HIAALO CCCNc1cc(N2CCC[C@H](CCC(=O)N[C@@H](C)c3cccs3)C2)nc[nH+]1 ZINC000065244878 569204968 /nfs/dbraw/zinc/20/49/68/569204968.db2.gz VYSVIKOVMUELNO-DLBZAZTESA-N 1 2 401.580 4.234 50 0 HIAALO CCCNc1cc(N2CCC[C@H](CCC(=O)N[C@@H](C)c3cccs3)C2)[nH+]cn1 ZINC000065244878 569204969 /nfs/dbraw/zinc/20/49/69/569204969.db2.gz VYSVIKOVMUELNO-DLBZAZTESA-N 1 2 401.580 4.234 50 0 HIAALO CCCNc1cc(N2CCC(CCC(=O)NCc3cccc(Cl)c3)CC2)nc[nH+]1 ZINC000065274205 569214830 /nfs/dbraw/zinc/21/48/30/569214830.db2.gz DMIHBQLVFIXUTE-UHFFFAOYSA-N 1 2 415.969 4.265 50 0 HIAALO CCCNc1cc(N2CCC(CCC(=O)NCc3cccc(Cl)c3)CC2)[nH+]cn1 ZINC000065274205 569214832 /nfs/dbraw/zinc/21/48/32/569214832.db2.gz DMIHBQLVFIXUTE-UHFFFAOYSA-N 1 2 415.969 4.265 50 0 HIAALO O=c1[nH]c(C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCCO3)nc2ccc(Cl)cc12 ZINC000037178508 569239536 /nfs/dbraw/zinc/23/95/36/569239536.db2.gz VNHPXSWQNFGWHY-SFHVURJKSA-N 1 2 411.889 4.487 50 0 HIAALO O=c1[nH]c(C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCCO3)nc2ccc(Cl)cc12 ZINC000037178508 569239537 /nfs/dbraw/zinc/23/95/37/569239537.db2.gz VNHPXSWQNFGWHY-SFHVURJKSA-N 1 2 411.889 4.487 50 0 HIAALO C[C@@H](Sc1[nH+]cnc2c1cnn2-c1ccc(F)cc1)C(=O)N1CCc2ccccc21 ZINC000013295272 569254842 /nfs/dbraw/zinc/25/48/42/569254842.db2.gz XOIIOGSJRSRSFI-CQSZACIVSA-N 1 2 419.485 4.025 50 0 HIAALO Cc1cc(N(C)C)nc(Nc2ccc(NS(=O)(=O)c3ccccc3Cl)cc2)[nH+]1 ZINC000017013952 569271651 /nfs/dbraw/zinc/27/16/51/569271651.db2.gz OGWIWFFZQDCXSR-UHFFFAOYSA-N 1 2 417.922 4.049 50 0 HIAALO COc1ccc(C(=O)Nc2ccc(Nc3nc(N4CCCC4)cc(C)[nH+]3)cc2)cc1 ZINC000017013364 569271755 /nfs/dbraw/zinc/27/17/55/569271755.db2.gz JFSVRDUMEQBXIP-UHFFFAOYSA-N 1 2 403.486 4.390 50 0 HIAALO Cc1ccc(C)c(S(=O)(=O)Nc2ccc(Nc3nc(N(C)C)cc(C)[nH+]3)cc2)c1 ZINC000017026541 569271962 /nfs/dbraw/zinc/27/19/62/569271962.db2.gz MKZOITYDRUPZSS-UHFFFAOYSA-N 1 2 411.531 4.012 50 0 HIAALO C[C@H](c1nc2ccccc2s1)[N@H+](C)CC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000007691592 569300972 /nfs/dbraw/zinc/30/09/72/569300972.db2.gz WXPYPOCMJAGOLR-OAHLLOKOSA-N 1 2 408.527 4.055 50 0 HIAALO C[C@H](c1nc2ccccc2s1)[N@@H+](C)CC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000007691592 569300973 /nfs/dbraw/zinc/30/09/73/569300973.db2.gz WXPYPOCMJAGOLR-OAHLLOKOSA-N 1 2 408.527 4.055 50 0 HIAALO CCC[N@H+](CC(=O)Nc1ccc(F)c(F)c1F)CC(=O)Nc1c(C)cccc1C ZINC000013040369 569407909 /nfs/dbraw/zinc/40/79/09/569407909.db2.gz NSLVITQFNOORHL-UHFFFAOYSA-N 1 2 407.436 4.010 50 0 HIAALO CCC[N@@H+](CC(=O)Nc1ccc(F)c(F)c1F)CC(=O)Nc1c(C)cccc1C ZINC000013040369 569407911 /nfs/dbraw/zinc/40/79/11/569407911.db2.gz NSLVITQFNOORHL-UHFFFAOYSA-N 1 2 407.436 4.010 50 0 HIAALO O=C(CCN1CC[NH+](CCC(=O)c2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1 ZINC000019365990 569420376 /nfs/dbraw/zinc/42/03/76/569420376.db2.gz VCXUARMVWLOWDF-UHFFFAOYSA-N 1 2 419.352 4.457 50 0 HIAALO O=C(c1c[nH+]c2ccc(Cl)cc2c1NCCc1cccs1)N1CCOCC1 ZINC000067288423 571066044 /nfs/dbraw/zinc/06/60/44/571066044.db2.gz PUXFHRIKYMXXSG-UHFFFAOYSA-N 1 2 401.919 4.077 50 0 HIAALO COc1ccc(CNC(=O)[C@@H](C)[N@H+](C)Cc2cccc(Cl)c2Cl)cc1OC ZINC000008533712 571075116 /nfs/dbraw/zinc/07/51/16/571075116.db2.gz LWRDYCPWTZQCMJ-CYBMUJFWSA-N 1 2 411.329 4.147 50 0 HIAALO COc1ccc(CNC(=O)[C@@H](C)[N@@H+](C)Cc2cccc(Cl)c2Cl)cc1OC ZINC000008533712 571075119 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421.497 4.157 50 0 HIAALO COc1ccc(NC(=O)CSc2[nH+]cnc3c2cnn3-c2ccc(C)cc2C)cc1 ZINC000004341750 558425444 /nfs/dbraw/zinc/42/54/44/558425444.db2.gz HMIPASHSCHMUIL-UHFFFAOYSA-N 1 2 419.510 4.172 50 0 HIAALO Cc1ccc(CNC(=O)CSc2[nH+]cnc3c2cnn3-c2ccc(C)cc2C)cc1 ZINC000004341763 558425693 /nfs/dbraw/zinc/42/56/93/558425693.db2.gz HEJMUSUTYPPPAC-UHFFFAOYSA-N 1 2 417.538 4.149 50 0 HIAALO COc1cccc(OC[C@H]2CCC[N@H+](Cc3nc(Cc4cccc(F)c4)no3)C2)c1 ZINC000012596561 558437989 /nfs/dbraw/zinc/43/79/89/558437989.db2.gz YPOPPKSYZCWTRC-SFHVURJKSA-N 1 2 411.477 4.099 50 0 HIAALO COc1cccc(OC[C@H]2CCC[N@@H+](Cc3nc(Cc4cccc(F)c4)no3)C2)c1 ZINC000012596561 558437993 /nfs/dbraw/zinc/43/79/93/558437993.db2.gz YPOPPKSYZCWTRC-SFHVURJKSA-N 1 2 411.477 4.099 50 0 HIAALO CCOc1ccccc1NC(=O)[C@H]([NH2+]Cc1nc2ccccc2n1C)c1ccccc1 ZINC000012627567 558440352 /nfs/dbraw/zinc/44/03/52/558440352.db2.gz RBABFXDEZXFSOE-XMMPIXPASA-N 1 2 414.509 4.442 50 0 HIAALO CC1CC[NH+](Cc2csc(NC(=O)c3cc(Cl)c4c(c3)OCCO4)n2)CC1 ZINC000022291753 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HIAALO Cn1cc[nH+]c1[C@@H](NS(=O)(=O)c1ccc2c(c1)CCCC2)c1ccc(Cl)cc1 ZINC000017521470 569292508 /nfs/dbraw/zinc/29/25/08/569292508.db2.gz VWZDZRHTDCJKTP-FQEVSTJZSA-N 1 2 415.946 4.020 50 0 HIAALO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c1C ZINC000007684806 569300671 /nfs/dbraw/zinc/30/06/71/569300671.db2.gz BTNSEHIHODGSEL-QFBILLFUSA-N 1 2 410.514 4.404 50 0 HIAALO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c1C ZINC000007684806 569300672 /nfs/dbraw/zinc/30/06/72/569300672.db2.gz BTNSEHIHODGSEL-QFBILLFUSA-N 1 2 410.514 4.404 50 0 HIAALO CC[NH+](CC)Cc1nc(C2(NC(=O)c3cc(Cl)sc3Cl)CCCC2)no1 ZINC000078714241 569419709 /nfs/dbraw/zinc/41/97/09/569419709.db2.gz ZEQORQTYHQWIDZ-UHFFFAOYSA-N 1 2 417.362 4.479 50 0 HIAALO O=C(N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)c1sccc1Br ZINC000078975771 569422790 /nfs/dbraw/zinc/42/27/90/569422790.db2.gz QTHOUOMIQLAPOL-JKSUJKDBSA-N 1 2 402.317 4.366 50 0 HIAALO CC(C)([NH2+]Cc1nc(-c2cccc(C(F)(F)F)c2)no1)C(=O)Nc1ccccc1 ZINC000079065534 569426526 /nfs/dbraw/zinc/42/65/26/569426526.db2.gz UUSCXCYBXZHAJU-UHFFFAOYSA-N 1 2 404.392 4.262 50 0 HIAALO Cc1cc(C)n(Cc2cccc(CNc3[nH+]cnc4c3cnn4-c3ccccc3)c2)n1 ZINC000040139244 571189106 /nfs/dbraw/zinc/18/91/06/571189106.db2.gz JASCZNUZZUUXKZ-UHFFFAOYSA-N 1 2 409.497 4.289 50 0 HIAALO O=C(NC[C@H](c1ccoc1)[NH+]1CCSCC1)C(c1ccccc1)c1ccccc1 ZINC000244933129 571210414 /nfs/dbraw/zinc/21/04/14/571210414.db2.gz CCNIMOLPXJOODV-JOCHJYFZSA-N 1 2 406.551 4.318 50 0 HIAALO O=C(CSc1[nH+]cnc2c1cnn2-c1ccc(Cl)cc1)Nc1ccc(F)cc1 ZINC000009088591 571220149 /nfs/dbraw/zinc/22/01/49/571220149.db2.gz DEJAANQDLNANQY-UHFFFAOYSA-N 1 2 413.865 4.339 50 0 HIAALO Clc1cccc(-c2noc([C@H]3CC34CC[NH+](Cc3nc(C5CC5)no3)CC4)n2)c1 ZINC000069655160 571236832 /nfs/dbraw/zinc/23/68/32/571236832.db2.gz AMTLLKWWTBULAE-MRXNPFEDSA-N 1 2 411.893 4.420 50 0 HIAALO Cc1ccc(CNC(=O)CSc2[nH+]cnc3c2cnn3-c2cccc(Cl)c2)cc1 ZINC000009517729 571265460 /nfs/dbraw/zinc/26/54/60/571265460.db2.gz OXYYBSLQQCVWSD-UHFFFAOYSA-N 1 2 423.929 4.186 50 0 HIAALO O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CCC(c2ccnc(-c3ccccc3)n2)CC1 ZINC000012151466 845855817 /nfs/dbraw/zinc/85/58/17/845855817.db2.gz MJUGYHVOBHHXRZ-UHFFFAOYSA-N 1 2 409.493 4.349 50 0 HIAALO O=C(N[C@H]1CCCc2c1cnn2-c1ccccc1F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000012194670 845860061 /nfs/dbraw/zinc/86/00/61/845860061.db2.gz CYBIHFZWDJGKSD-FQEVSTJZSA-N 1 2 401.445 4.005 50 0 HIAALO Cn1cc(C[N@@H+]2CCC[C@H]2c2ccc(C(=O)Nc3cccc(F)c3F)s2)cn1 ZINC000023250600 846675857 /nfs/dbraw/zinc/67/58/57/846675857.db2.gz VXPFLDAUCJGDCU-INIZCTEOSA-N 1 2 402.470 4.349 50 0 HIAALO Cn1cc(C[N@H+]2CCC[C@H]2c2ccc(C(=O)Nc3cccc(F)c3F)s2)cn1 ZINC000023250600 846675860 /nfs/dbraw/zinc/67/58/60/846675860.db2.gz VXPFLDAUCJGDCU-INIZCTEOSA-N 1 2 402.470 4.349 50 0 HIAALO O=C(CCCc1nc2ccccc2s1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000035202351 848143500 /nfs/dbraw/zinc/14/35/00/848143500.db2.gz SMEKGXATJXRAHS-YFHOEESVSA-N 1 2 405.567 4.477 50 0 HIAALO O=C(/C=C/c1ccc(OC(F)(F)F)cc1)NCc1ccccc1Cn1cc[nH+]c1 ZINC000040023575 848196705 /nfs/dbraw/zinc/19/67/05/848196705.db2.gz DMSRRXXMWRAVBW-JXMROGBWSA-N 1 2 401.388 4.160 50 0 HIAALO CN1CC[NH+](CCOc2ccccc2NC(=O)/C=C\c2cccc3ccccc23)CC1 ZINC000098055804 852652023 /nfs/dbraw/zinc/65/20/23/852652023.db2.gz XNIISFXLAYUMLG-YPKPFQOOSA-N 1 2 415.537 4.118 50 0 HIAALO CC(C)C[N@@H+]1Cc2ccccc2-n2ccnc2C12CCN(C(=O)c1ccco1)CC2 ZINC000169763837 853658870 /nfs/dbraw/zinc/65/88/70/853658870.db2.gz WRZLWHLLUQCNCN-UHFFFAOYSA-N 1 2 404.514 4.068 50 0 HIAALO CC(C)C[N@H+]1Cc2ccccc2-n2ccnc2C12CCN(C(=O)c1ccco1)CC2 ZINC000169763837 853658876 /nfs/dbraw/zinc/65/88/76/853658876.db2.gz WRZLWHLLUQCNCN-UHFFFAOYSA-N 1 2 404.514 4.068 50 0 HIAALO Cc1c[nH+]c(-c2cccnc2)n1C[C@H]1CCCN(C(=O)C2(c3ccccc3)CC2)C1 ZINC000575547770 948676340 /nfs/dbraw/zinc/67/63/40/948676340.db2.gz WJVQEYFBPCIXKA-FQEVSTJZSA-N 1 2 400.526 4.224 50 0 HIAALO COc1ccc(C2(C(=O)N3CC[C@@H](n4c(C)c[nH+]c4-c4ccccc4)C3)CC2)cc1 ZINC000575548033 948677051 /nfs/dbraw/zinc/67/70/51/948677051.db2.gz FSTDNKVAPRRCCL-OAQYLSRUSA-N 1 2 401.510 4.372 50 0 HIAALO O=C(c1ccsc1)N1CCC([N@@H+]2C[C@H](Oc3ccccc3)[C@@H]2c2ccncc2)CC1 ZINC000575553655 948679382 /nfs/dbraw/zinc/67/93/82/948679382.db2.gz CKGRGOGBWUDWJI-GOTSBHOMSA-N 1 2 419.550 4.252 50 0 HIAALO O=C(c1ccsc1)N1CCC([N@H+]2C[C@H](Oc3ccccc3)[C@@H]2c2ccncc2)CC1 ZINC000575553655 948679388 /nfs/dbraw/zinc/67/93/88/948679388.db2.gz CKGRGOGBWUDWJI-GOTSBHOMSA-N 1 2 419.550 4.252 50 0 HIAALO O=C(Cc1cccc(F)c1)N1CCC2(CC1)C[C@H](CCOc1cc[nH+]cc1)CCO2 ZINC000575552960 948679645 /nfs/dbraw/zinc/67/96/45/948679645.db2.gz LYYOYFHEABIQOR-LJQANCHMSA-N 1 2 412.505 4.020 50 0 HIAALO O=C(Nc1ccc2c(c1)OCCO2)N1CC2(C[C@@H]1COc1cc[nH+]cc1)CCCCC2 ZINC000575559259 948680135 /nfs/dbraw/zinc/68/01/35/948680135.db2.gz NEJLCFZWUPQDGS-LJQANCHMSA-N 1 2 423.513 4.489 50 0 HIAALO Cc1nc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)c(Cc2ccccc2)c(C)[nH+]1 ZINC000000694132 132231085 /nfs/dbraw/zinc/23/10/85/132231085.db2.gz FMDVFSYTAAXNJL-UHFFFAOYSA-N 1 2 420.944 4.300 50 0 HIAALO CC(C)c1ccccc1NC(=O)Cn1c(C[NH+]2CCCCC2)nc2ccccc2c1=O ZINC000032810226 519845485 /nfs/dbraw/zinc/84/54/85/519845485.db2.gz AJDYMSFBNXNEHZ-UHFFFAOYSA-N 1 2 418.541 4.145 50 0 HIAALO COc1cc(OC)cc([C@@H](NC(=O)CC23CC4CC(CC(C4)C2)C3)c2[nH+]ccn2C)c1 ZINC000032843495 522874478 /nfs/dbraw/zinc/87/44/78/522874478.db2.gz GTABSEVJNWRVOW-IZKRSNETSA-N 1 2 423.557 4.249 50 0 HIAALO CCc1oc2ccccc2c1/C=C/C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000030231286 523006163 /nfs/dbraw/zinc/00/61/63/523006163.db2.gz JWCQFKBXNQWRCV-VAWYXSNFSA-N 1 2 404.510 4.157 50 0 HIAALO CCc1c(C)[nH+]c(-c2cccc(C)c2)nc1N1CCN(C(=O)c2cccs2)CC1 ZINC000006706378 536070094 /nfs/dbraw/zinc/07/00/94/536070094.db2.gz AZZBIMSHQPVPKO-UHFFFAOYSA-N 1 2 406.555 4.347 50 0 HIAALO CC(C)Cc1noc(C[NH+]2CCC3(C[C@H]3c3nnc(-c4cccc(F)c4)o3)CC2)n1 ZINC000071890583 557317349 /nfs/dbraw/zinc/31/73/49/557317349.db2.gz MUANBYDBVFROIF-KRWDZBQOSA-N 1 2 411.481 4.227 50 0 HIAALO O=C(NCc1cccc(F)c1)c1cccc(C[NH+]2CCN(c3ccccc3F)CC2)c1 ZINC000034668421 557362009 /nfs/dbraw/zinc/36/20/09/557362009.db2.gz CHWXPKPALLIQJY-UHFFFAOYSA-N 1 2 421.491 4.217 50 0 HIAALO Cc1cccc(N2CC[NH+]([C@H](C)C(=O)NCc3cccc(C(F)(F)F)c3)CC2)c1C ZINC000034684886 557388000 /nfs/dbraw/zinc/38/80/00/557388000.db2.gz PAZNOQZVAPFZHM-GOSISDBHSA-N 1 2 419.491 4.149 50 0 HIAALO Cc1ccc(OC[C@@H](O)C[NH+]2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000022785917 557820362 /nfs/dbraw/zinc/82/03/62/557820362.db2.gz KMRGSEREAMYIHW-VWLOTQADSA-N 1 2 416.565 4.142 50 0 HIAALO CCc1ccc(Cl)c(CC)c1NC(=O)CN1CC[NH+](Cc2ccsc2)CC1 ZINC000022849202 557838530 /nfs/dbraw/zinc/83/85/30/557838530.db2.gz POWDTGLCYBELCP-UHFFFAOYSA-N 1 2 405.995 4.283 50 0 HIAALO O=C(Nc1ccc(OCc2ccccc2)cc1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000019835100 558292443 /nfs/dbraw/zinc/29/24/43/558292443.db2.gz AFBXOPRESVOICM-UHFFFAOYSA-N 1 2 402.498 4.010 50 0 HIAALO C[N@@H+]1CCc2nc3sc(C(=O)Nc4cccc(C(F)(F)F)c4)c(N)c3cc2C1 ZINC000019853573 558296057 /nfs/dbraw/zinc/29/60/57/558296057.db2.gz HDXQCPZVBKOTJZ-UHFFFAOYSA-N 1 2 406.433 4.138 50 0 HIAALO C[N@H+]1CCc2nc3sc(C(=O)Nc4cccc(C(F)(F)F)c4)c(N)c3cc2C1 ZINC000019853573 558296060 /nfs/dbraw/zinc/29/60/60/558296060.db2.gz HDXQCPZVBKOTJZ-UHFFFAOYSA-N 1 2 406.433 4.138 50 0 HIAALO O=c1nc(CNc2ccccc2)[nH]c2sc3c(c21)CC[N@@H+](Cc1ccccc1)C3 ZINC000019926501 558307851 /nfs/dbraw/zinc/30/78/51/558307851.db2.gz WSNRTNJFTHVHEE-UHFFFAOYSA-N 1 2 402.523 4.155 50 0 HIAALO O=c1nc(CNc2ccccc2)[nH]c2sc3c(c21)CC[N@H+](Cc1ccccc1)C3 ZINC000019926501 558307854 /nfs/dbraw/zinc/30/78/54/558307854.db2.gz WSNRTNJFTHVHEE-UHFFFAOYSA-N 1 2 402.523 4.155 50 0 HIAALO CC(C)c1ccc(/C=C/C(=O)NC(=S)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000019929091 558309111 /nfs/dbraw/zinc/30/91/11/558309111.db2.gz ALPNQSWNZBOVDR-KPKJPENVSA-N 1 2 423.582 4.169 50 0 aggregator HIAALO CCOc1ccc2oc(=O)cc(CN3CC[NH+](Cc4ccccc4Cl)CC3)c2c1 ZINC000020177611 558344069 /nfs/dbraw/zinc/34/40/69/558344069.db2.gz WZILVQXULRLNRR-UHFFFAOYSA-N 1 2 412.917 4.163 50 0 HIAALO CCOc1ccc2oc(=O)cc(C[NH+]3CCN(Cc4ccccc4Cl)CC3)c2c1 ZINC000020177611 558344072 /nfs/dbraw/zinc/34/40/72/558344072.db2.gz WZILVQXULRLNRR-UHFFFAOYSA-N 1 2 412.917 4.163 50 0 HIAALO Cc1c[nH]c(CN(C)C(=O)c2csc3nc(-c4cccc(C(F)(F)F)c4)cn23)[nH+]1 ZINC000012206236 558353028 /nfs/dbraw/zinc/35/30/28/558353028.db2.gz GPENJPAPINIHCE-UHFFFAOYSA-N 1 2 419.432 4.385 50 0 HIAALO Fc1ccc(-n2cc(C[NH2+]Cc3nnc4n3CCC4)c(-c3ccccc3Cl)n2)cc1 ZINC000012228738 558357532 /nfs/dbraw/zinc/35/75/32/558357532.db2.gz FYTXLYCFFLAEAW-UHFFFAOYSA-N 1 2 422.895 4.159 50 0 HIAALO Cc1ccc(-c2cc(C(=O)NCC[NH+]3CCOCC3)c3cc(Cl)ccc3n2)c(C)c1 ZINC000020357089 558357656 /nfs/dbraw/zinc/35/76/56/558357656.db2.gz QUVODGSLFZEVRU-UHFFFAOYSA-N 1 2 423.944 4.234 50 0 HIAALO CC(C)Oc1ccc(CSc2nc3sc4c(c3c(N)n2)CC[N@@H+](C)C4)cc1 ZINC000020438343 558363547 /nfs/dbraw/zinc/36/35/47/558363547.db2.gz JTZCKBWMSSEFGG-UHFFFAOYSA-N 1 2 400.573 4.341 50 0 HIAALO CC(C)Oc1ccc(CSc2nc3sc4c(c3c(N)n2)CC[N@H+](C)C4)cc1 ZINC000020438343 558363550 /nfs/dbraw/zinc/36/35/50/558363550.db2.gz JTZCKBWMSSEFGG-UHFFFAOYSA-N 1 2 400.573 4.341 50 0 HIAALO CCn1cc[nH+]c1CN1CCC[C@H]1C(=O)Nc1ccccc1-c1ccc(OC)cc1 ZINC000012434064 558408088 /nfs/dbraw/zinc/40/80/88/558408088.db2.gz WFHICTZEELAYBP-QFIPXVFZSA-N 1 2 404.514 4.182 50 0 HIAALO COc1cc(-c2n[nH]cc2C[N@@H+]2CCCC[C@@H]2c2nccs2)cc(OC)c1OC ZINC000012447174 558414615 /nfs/dbraw/zinc/41/46/15/558414615.db2.gz PBVAEQHBPDSUIZ-MRXNPFEDSA-N 1 2 414.531 4.286 50 0 HIAALO COc1cc(-c2n[nH]cc2C[N@H+]2CCCC[C@@H]2c2nccs2)cc(OC)c1OC ZINC000012447174 558414616 /nfs/dbraw/zinc/41/46/16/558414616.db2.gz PBVAEQHBPDSUIZ-MRXNPFEDSA-N 1 2 414.531 4.286 50 0 HIAALO O=C(CCc1ccc(-c2ccccc2F)o1)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000012802484 558472236 /nfs/dbraw/zinc/47/22/36/558472236.db2.gz DUZDDEVUGJSSGO-QHCPKHFHSA-N 1 2 422.500 4.208 50 0 HIAALO O=C(NCc1ccccc1C[NH+]1CCOCC1)NC(c1ccccc1)c1ccccc1 ZINC000022424085 558488793 /nfs/dbraw/zinc/48/87/93/558488793.db2.gz CCTZXBPMNBEZOV-UHFFFAOYSA-N 1 2 415.537 4.108 50 0 HIAALO O=C(C[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1)Nc1c(Cl)cccc1Cl ZINC000012975249 558491023 /nfs/dbraw/zinc/49/10/23/558491023.db2.gz DGJNSLPJKODROR-CQSZACIVSA-N 1 2 406.313 4.283 50 0 HIAALO O=C(C[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1)Nc1c(Cl)cccc1Cl ZINC000012975249 558491025 /nfs/dbraw/zinc/49/10/25/558491025.db2.gz DGJNSLPJKODROR-CQSZACIVSA-N 1 2 406.313 4.283 50 0 HIAALO CCC[N@H+](CC(=O)Nc1cccc(Cl)c1)CC(=O)Nc1ccc(F)c(F)c1F ZINC000013040073 558506576 /nfs/dbraw/zinc/50/65/76/558506576.db2.gz HVVMILZXXHPVGN-UHFFFAOYSA-N 1 2 413.827 4.047 50 0 HIAALO CCC[N@@H+](CC(=O)Nc1cccc(Cl)c1)CC(=O)Nc1ccc(F)c(F)c1F ZINC000013040073 558506579 /nfs/dbraw/zinc/50/65/79/558506579.db2.gz HVVMILZXXHPVGN-UHFFFAOYSA-N 1 2 413.827 4.047 50 0 HIAALO CC(C)(C)C1CCC(NC(=O)CN2CC[NH+](Cc3cccc(Cl)c3)CC2)CC1 ZINC000022751839 558507386 /nfs/dbraw/zinc/50/73/86/558507386.db2.gz OLPCHPDUXGBYJH-UHFFFAOYSA-N 1 2 406.014 4.179 50 0 HIAALO CC(C)(C)C1CCC(NC(=O)C[NH+]2CCN(Cc3cccc(Cl)c3)CC2)CC1 ZINC000022751839 558507389 /nfs/dbraw/zinc/50/73/89/558507389.db2.gz OLPCHPDUXGBYJH-UHFFFAOYSA-N 1 2 406.014 4.179 50 0 HIAALO CCCc1ccc([C@@H](C)NC(=O)CN2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1 ZINC000022751899 558507397 /nfs/dbraw/zinc/50/73/97/558507397.db2.gz YMWRTYBRTIOGPL-LJQANCHMSA-N 1 2 413.993 4.288 50 0 HIAALO CCCc1ccc([C@@H](C)NC(=O)C[NH+]2CCN(Cc3cccc(Cl)c3)CC2)cc1 ZINC000022751899 558507401 /nfs/dbraw/zinc/50/74/01/558507401.db2.gz YMWRTYBRTIOGPL-LJQANCHMSA-N 1 2 413.993 4.288 50 0 HIAALO CC(=O)c1c(C)[nH]c(C(=O)CN2CC[NH+](Cc3csc4ccccc34)CC2)c1C ZINC000022933512 558525502 /nfs/dbraw/zinc/52/55/02/558525502.db2.gz FSPMWYKYNQMGPY-UHFFFAOYSA-N 1 2 409.555 4.049 50 0 HIAALO C[N@H+](CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)Cc1ccc2c(c1)OCCO2 ZINC000023828990 558577504 /nfs/dbraw/zinc/57/75/04/558577504.db2.gz IQYJMWDGTZQHMD-UHFFFAOYSA-N 1 2 414.811 4.201 50 0 HIAALO C[N@@H+](CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)Cc1ccc2c(c1)OCCO2 ZINC000023828990 558577505 /nfs/dbraw/zinc/57/75/05/558577505.db2.gz IQYJMWDGTZQHMD-UHFFFAOYSA-N 1 2 414.811 4.201 50 0 HIAALO CC1CCC2(CC1)NC(=O)N(C[N@@H+]1CCc3sccc3[C@H]1c1cccs1)C2=O ZINC000023855574 558577902 /nfs/dbraw/zinc/57/79/02/558577902.db2.gz FJPVFXSBCINICN-UARVQCNDSA-N 1 2 415.584 4.215 50 0 HIAALO CC1CCC2(CC1)NC(=O)N(C[N@H+]1CCc3sccc3[C@H]1c1cccs1)C2=O ZINC000023855574 558577905 /nfs/dbraw/zinc/57/79/05/558577905.db2.gz FJPVFXSBCINICN-UARVQCNDSA-N 1 2 415.584 4.215 50 0 HIAALO O=C(N[C@H](C[NH+]1CCOCC1)c1ccccc1)c1ccc(OCc2ccccc2)cc1 ZINC000023873019 558578833 /nfs/dbraw/zinc/57/88/33/558578833.db2.gz JJSMETXKHICYPF-RUZDIDTESA-N 1 2 416.521 4.069 50 0 HIAALO COc1cc(C[N@H+](C)Cc2nc3ccccc3c(=O)[nH]2)ccc1OCc1ccccc1 ZINC000023873209 558579141 /nfs/dbraw/zinc/57/91/41/558579141.db2.gz NNCJAZVJKUFWES-UHFFFAOYSA-N 1 2 415.493 4.143 50 0 HIAALO COc1cc(C[N@@H+](C)Cc2nc3ccccc3c(=O)[nH]2)ccc1OCc1ccccc1 ZINC000023873209 558579143 /nfs/dbraw/zinc/57/91/43/558579143.db2.gz NNCJAZVJKUFWES-UHFFFAOYSA-N 1 2 415.493 4.143 50 0 HIAALO COc1ccccc1C[N@H+](Cc1cccs1)Cc1cc(=O)n2cc(C)ccc2n1 ZINC000023992819 558584014 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HIAALO CCOc1cc(C)c(C(C)C)cc1S(=O)(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000028358393 558699720 /nfs/dbraw/zinc/69/97/20/558699720.db2.gz GMHLNLJMKFQCJW-UHFFFAOYSA-N 1 2 416.587 4.024 50 0 HIAALO CC[N@H+](CC(=O)Nc1ccc(Oc2ccccc2Cl)cc1)CC(=O)NC(C)(C)C ZINC000028931245 558707682 /nfs/dbraw/zinc/70/76/82/558707682.db2.gz CEKBXXNQWTVEGK-UHFFFAOYSA-N 1 2 417.937 4.307 50 0 HIAALO CC[N@@H+](CC(=O)Nc1ccc(Oc2ccccc2Cl)cc1)CC(=O)NC(C)(C)C ZINC000028931245 558707683 /nfs/dbraw/zinc/70/76/83/558707683.db2.gz CEKBXXNQWTVEGK-UHFFFAOYSA-N 1 2 417.937 4.307 50 0 HIAALO CCn1cc(C[N@@H+]2CCCC[C@@H]2C(=O)Nc2ccc(Oc3ccccc3)nc2)cn1 ZINC000015067669 558710458 /nfs/dbraw/zinc/71/04/58/558710458.db2.gz LRCAOTPILDNMRI-OAQYLSRUSA-N 1 2 405.502 4.084 50 0 HIAALO CCn1cc(C[N@H+]2CCCC[C@@H]2C(=O)Nc2ccc(Oc3ccccc3)nc2)cn1 ZINC000015067669 558710459 /nfs/dbraw/zinc/71/04/59/558710459.db2.gz LRCAOTPILDNMRI-OAQYLSRUSA-N 1 2 405.502 4.084 50 0 HIAALO Cn1cc[nH+]c1[C@H](NC(=O)NCCSc1ccccc1)c1ccc(Cl)cc1 ZINC000029325802 558713578 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1 2 408.527 4.163 50 0 HIAALO Cc1cccc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)n1 ZINC000072308492 558769445 /nfs/dbraw/zinc/76/94/45/558769445.db2.gz DDBOKUQZBIPMSG-INIZCTEOSA-N 1 2 408.527 4.163 50 0 HIAALO COc1ccc([C@H](NC(=O)CSCc2ccccc2Cl)c2[nH+]ccn2C)cc1 ZINC000016476287 558793299 /nfs/dbraw/zinc/79/32/99/558793299.db2.gz JPUZIHWRLDMBMS-FQEVSTJZSA-N 1 2 415.946 4.221 50 0 HIAALO CN(Cc1ccc(Br)o1)C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000071928436 558802396 /nfs/dbraw/zinc/80/23/96/558802396.db2.gz JTEXQQIVBMKPGC-UHFFFAOYSA-N 1 2 421.339 4.159 50 0 HIAALO Fc1ccc(C[NH+]2CCN(C(=S)Nc3ccc(Br)cc3)CC2)cc1 ZINC000017087854 558816598 /nfs/dbraw/zinc/81/65/98/558816598.db2.gz HFZRFAKUZMLZGD-UHFFFAOYSA-N 1 2 408.340 4.103 50 0 HIAALO Cc1ccc(Cl)cc1-n1ncc2c1nc[nH+]c2N1CCN(c2ccccc2)CC1 ZINC000017121521 558823082 /nfs/dbraw/zinc/82/30/82/558823082.db2.gz GFAZSOVQANFKCQ-UHFFFAOYSA-N 1 2 404.905 4.104 50 0 HIAALO COc1cccc(CNC(=O)C2CCN(c3[nH+]cccc3-n3c(C)ccc3C)CC2)c1 ZINC000033034509 558858511 /nfs/dbraw/zinc/85/85/11/558858511.db2.gz GFAAOCOAEKHNFY-UHFFFAOYSA-N 1 2 418.541 4.031 50 0 HIAALO COc1ccc(CNc2c(C(=O)N3CCSCC3)c[nH+]c3ccc(F)cc32)cc1 ZINC000072328489 558864007 /nfs/dbraw/zinc/86/40/07/558864007.db2.gz FAKPGBUPYKMCIS-UHFFFAOYSA-N 1 2 411.502 4.184 50 0 HIAALO Cc1ccc2[nH]c(N3CCC(C(=O)NCc4ccc(OC(C)C)cc4)CC3)[nH+]c2c1 ZINC000033070908 558866380 /nfs/dbraw/zinc/86/63/80/558866380.db2.gz FNJSZSCANWPBEU-UHFFFAOYSA-N 1 2 406.530 4.191 50 0 HIAALO Cc1ccc2[nH+]c(N3CCC(C(=O)NCc4ccc(OC(C)C)cc4)CC3)[nH]c2c1 ZINC000033070908 558866382 /nfs/dbraw/zinc/86/63/82/558866382.db2.gz FNJSZSCANWPBEU-UHFFFAOYSA-N 1 2 406.530 4.191 50 0 HIAALO O=C(C1CCCCC1)N1CCN(c2[nH+]c3ccccc3n2Cc2ccccc2)CC1 ZINC000033106709 558874454 /nfs/dbraw/zinc/87/44/54/558874454.db2.gz QAZKVCMTHKMOMG-UHFFFAOYSA-N 1 2 402.542 4.314 50 0 HIAALO CCc1ncc(C[N@@H+]2CCCC[C@@H]2C(=O)Nc2ccc(Oc3ccccc3)nc2)cn1 ZINC000055281922 558878364 /nfs/dbraw/zinc/87/83/64/558878364.db2.gz PVQFUXOEVVUBGN-OAQYLSRUSA-N 1 2 417.513 4.220 50 0 HIAALO CCc1ncc(C[N@H+]2CCCC[C@@H]2C(=O)Nc2ccc(Oc3ccccc3)nc2)cn1 ZINC000055281922 558878368 /nfs/dbraw/zinc/87/83/68/558878368.db2.gz PVQFUXOEVVUBGN-OAQYLSRUSA-N 1 2 417.513 4.220 50 0 HIAALO Cc1ccc(NC(=O)NCC[NH+]2CCN(c3cc(Cl)ccc3Cl)CC2)cc1 ZINC000055551751 558882383 /nfs/dbraw/zinc/88/23/83/558882383.db2.gz UJQBDAOHGDUUFM-UHFFFAOYSA-N 1 2 407.345 4.246 50 0 HIAALO Cc1cc(C[NH+]2CCN(c3ncnc4scc(-c5ccc(C)cc5)c43)CC2)no1 ZINC000058175459 558909152 /nfs/dbraw/zinc/90/91/52/558909152.db2.gz FKHCUPRMURLHGR-UHFFFAOYSA-N 1 2 405.527 4.285 50 0 HIAALO Cc1ccc(-c2cc(NC(=O)C[N@@H+](Cc3cccs3)C[C@H]3CCCO3)on2)cc1 ZINC000058176665 558909713 /nfs/dbraw/zinc/90/97/13/558909713.db2.gz ALBURCTWJDDRRC-GOSISDBHSA-N 1 2 411.527 4.331 50 0 HIAALO Cc1ccc(-c2cc(NC(=O)C[N@H+](Cc3cccs3)C[C@H]3CCCO3)on2)cc1 ZINC000058176665 558909715 /nfs/dbraw/zinc/90/97/15/558909715.db2.gz ALBURCTWJDDRRC-GOSISDBHSA-N 1 2 411.527 4.331 50 0 HIAALO Cc1ccc(Cl)c2sc(N(CCC[NH+]3CCOCC3)C(=O)c3ccco3)nc21 ZINC000022997906 558982089 /nfs/dbraw/zinc/98/20/89/558982089.db2.gz GWDVSBDIOGMOIU-UHFFFAOYSA-N 1 2 419.934 4.220 50 0 HIAALO Cc1ccccc1N1CCN(c2[nH+]cccc2CNc2ccc(C(C)C)nn2)CC1 ZINC000067688358 558991562 /nfs/dbraw/zinc/99/15/62/558991562.db2.gz LCZWTJGDCUOXMU-UHFFFAOYSA-N 1 2 402.546 4.242 50 0 HIAALO OCC[C@@H]1CN(Cc2nc(-c3ccccc3)cs2)CC[N@@H+]1Cc1ccccc1F ZINC000091689949 559072982 /nfs/dbraw/zinc/07/29/82/559072982.db2.gz XKLPVJCYQXRWEQ-HXUWFJFHSA-N 1 2 411.546 4.018 50 0 HIAALO OCC[C@@H]1CN(Cc2nc(-c3ccccc3)cs2)CC[N@H+]1Cc1ccccc1F ZINC000091689949 559072983 /nfs/dbraw/zinc/07/29/83/559072983.db2.gz XKLPVJCYQXRWEQ-HXUWFJFHSA-N 1 2 411.546 4.018 50 0 HIAALO Cc1cc(N[C@@H]2CC(C)(C)Cc3nc(N4CCOCC4)ncc32)[nH+]c2ccccc12 ZINC000091896063 559074359 /nfs/dbraw/zinc/07/43/59/559074359.db2.gz CBZLFWBXCAZANY-HXUWFJFHSA-N 1 2 403.530 4.295 50 0 HIAALO O=C(c1ccc(F)cc1)N(Cc1[nH+]ccn1Cc1ccccc1F)Cc1ccncc1 ZINC000096206846 559101384 /nfs/dbraw/zinc/10/13/84/559101384.db2.gz ZSDVAGCJMCIJLC-UHFFFAOYSA-N 1 2 418.447 4.447 50 0 HIAALO CC[C@H](C)c1nc(N2CCN(C(=O)C3CC3)CC2)c(Cc2ccccc2F)c(C)[nH+]1 ZINC000096317084 559109778 /nfs/dbraw/zinc/10/97/78/559109778.db2.gz ALCAKIHOLWGYGS-INIZCTEOSA-N 1 2 410.537 4.087 50 0 HIAALO COc1ccc(-c2csc3ncnc(N4CCN(c5cccc[nH+]5)CC4)c23)cc1 ZINC000100737963 559138938 /nfs/dbraw/zinc/13/89/38/559138938.db2.gz KMDYKVVAUIZGOP-UHFFFAOYSA-N 1 2 403.511 4.089 50 0 HIAALO CN(C)c1ccc(C(=O)N2CC[NH+]([C@@H](c3ccccc3)c3ccc(F)cc3)CC2)cc1 ZINC000023323045 559143297 /nfs/dbraw/zinc/14/32/97/559143297.db2.gz JVYADXMWXQERPK-VWLOTQADSA-N 1 2 417.528 4.439 50 0 HIAALO CN(C)c1ccc(C(=O)N2CC[NH+]([C@H](c3ccccc3)c3ccc(F)cc3)CC2)cc1 ZINC000023323048 559143355 /nfs/dbraw/zinc/14/33/55/559143355.db2.gz JVYADXMWXQERPK-RUZDIDTESA-N 1 2 417.528 4.439 50 0 HIAALO Cc1ccc2nc(-c3ccc(N4C(=O)C[C@@H]([NH2+]Cc5ccco5)C4=O)cc3)sc2c1 ZINC000004873195 559194807 /nfs/dbraw/zinc/19/48/07/559194807.db2.gz CLCIRBPFZQXZOC-LJQANCHMSA-N 1 2 417.490 4.286 50 0 HIAALO O=[N+]([O-])c1ccc(NN=Cc2ccc(C=[NH+]Nc3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000004897007 559198543 /nfs/dbraw/zinc/19/85/43/559198543.db2.gz NYHPTIGRDFLSOR-UHFFFAOYSA-N 1 2 404.386 4.395 50 0 HIAALO C[C@@H](c1nnc(SCC(=O)Nc2ccc(Cl)cc2)n1-c1ccccc1)[NH+](C)C ZINC000002630968 560586367 /nfs/dbraw/zinc/58/63/67/560586367.db2.gz GFNBZRFAPYYPJQ-AWEZNQCLSA-N 1 2 415.950 4.274 50 0 HIAALO COc1ccc(Br)cc1C[N@H+](C)CC(=O)Nc1cccc(Cl)c1C ZINC000003540856 560596227 /nfs/dbraw/zinc/59/62/27/560596227.db2.gz ZWZQIMVTJQIJLJ-UHFFFAOYSA-N 1 2 411.727 4.490 50 0 HIAALO COc1ccc(Br)cc1C[N@@H+](C)CC(=O)Nc1cccc(Cl)c1C ZINC000003540856 560596228 /nfs/dbraw/zinc/59/62/28/560596228.db2.gz ZWZQIMVTJQIJLJ-UHFFFAOYSA-N 1 2 411.727 4.490 50 0 HIAALO O=C(CSc1[nH+]cnc2c1cnn2Cc1ccccc1)Nc1cccc(Cl)c1 ZINC000005499640 560598394 /nfs/dbraw/zinc/59/83/94/560598394.db2.gz AFVUFRTUBPZDDK-UHFFFAOYSA-N 1 2 409.902 4.259 50 0 HIAALO C[C@H](c1nc2ccccc2s1)[N@H+](C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C ZINC000103272367 560840542 /nfs/dbraw/zinc/84/05/42/560840542.db2.gz STRUPTRENLETDD-HUUCEWRRSA-N 1 2 408.527 4.053 50 0 HIAALO C[C@H](c1nc2ccccc2s1)[N@@H+](C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C ZINC000103272367 560840544 /nfs/dbraw/zinc/84/05/44/560840544.db2.gz STRUPTRENLETDD-HUUCEWRRSA-N 1 2 408.527 4.053 50 0 HIAALO CCc1[nH+]c(C2CC2)nc(N2CCN(C(=O)C3CCC3)CC2)c1Cc1cccc(C)c1 ZINC000096316823 560848835 /nfs/dbraw/zinc/84/88/35/560848835.db2.gz JSYQNIULTNGDMV-UHFFFAOYSA-N 1 2 418.585 4.264 50 0 HIAALO CCOC(=O)c1nc(C[NH+]2CCC(c3nc4cc(Cl)ccc4o3)CC2)cs1 ZINC000048260507 568433552 /nfs/dbraw/zinc/43/35/52/568433552.db2.gz KKDAGKPQGMKXFE-UHFFFAOYSA-N 1 2 405.907 4.494 50 0 HIAALO O=C(C[NH+]1CCC(c2nc(-c3cccc(F)c3)no2)CC1)Nc1cccc(Cl)c1 ZINC000049403363 568448210 /nfs/dbraw/zinc/44/82/10/568448210.db2.gz NJGUCFBLENMYDK-UHFFFAOYSA-N 1 2 414.868 4.347 50 0 HIAALO CCc1ccc(NC(=S)N(CCC[NH+]2CCN(CC)CC2)Cc2ccco2)cc1 ZINC000020107736 568588124 /nfs/dbraw/zinc/58/81/24/568588124.db2.gz ZYCQCRJXEGOMLV-UHFFFAOYSA-N 1 2 414.619 4.069 50 0 HIAALO S=C(Nc1ccccc1Cl)N(CCC[NH+]1CCOCC1)Cc1cccs1 ZINC000020107916 568588491 /nfs/dbraw/zinc/58/84/91/568588491.db2.gz WWRONABZRMULFQ-UHFFFAOYSA-N 1 2 410.008 4.323 50 0 HIAALO CCOC(=O)[C@@H]1CCCN(c2c(C(=O)c3ccccc3)c[nH+]c3ccc(F)cc32)C1 ZINC000020380670 568602498 /nfs/dbraw/zinc/60/24/98/568602498.db2.gz PULUNYJZAPXCAY-QGZVFWFLSA-N 1 2 406.457 4.384 50 0 HIAALO CCC[N@@H+]1Cc2cccc(NS(=O)(=O)c3cc(C)ccc3Br)c2C1 ZINC000095451656 568614673 /nfs/dbraw/zinc/61/46/73/568614673.db2.gz BKYVCFGKSZDRNJ-UHFFFAOYSA-N 1 2 409.349 4.284 50 0 HIAALO CCC[N@H+]1Cc2cccc(NS(=O)(=O)c3cc(C)ccc3Br)c2C1 ZINC000095451656 568614674 /nfs/dbraw/zinc/61/46/74/568614674.db2.gz BKYVCFGKSZDRNJ-UHFFFAOYSA-N 1 2 409.349 4.284 50 0 HIAALO Cc1ccc(Cn2c3ccccc3[nH+]c2N2CCC(C(=O)N3CCCC3)CC2)cc1 ZINC000021159266 568674256 /nfs/dbraw/zinc/67/42/56/568674256.db2.gz NJJKWYYRNCABLZ-UHFFFAOYSA-N 1 2 402.542 4.232 50 0 HIAALO O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CCC[C@H](c2nnc(-c3ccsc3)o2)C1 ZINC000096119028 568698556 /nfs/dbraw/zinc/69/85/56/568698556.db2.gz RYFUWODNKNDNAA-SFHVURJKSA-N 1 2 419.510 4.063 50 0 HIAALO O=C(NCc1cccs1)[C@H]1CCCN(c2cc(-n3ccc4ccccc43)nc[nH+]2)C1 ZINC000096124056 568700499 /nfs/dbraw/zinc/70/04/99/568700499.db2.gz NAHLXEOTSOKOSH-SFHVURJKSA-N 1 2 417.538 4.015 50 0 HIAALO Cc1ccc(Cc2c(C)[nH+]c(C(C)C)nc2N2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000096317189 568726407 /nfs/dbraw/zinc/72/64/07/568726407.db2.gz DQOQHTMRIGOFSU-UHFFFAOYSA-N 1 2 418.541 4.363 50 0 HIAALO Cc1ccc(Cc2c(C)[nH+]c(C3CC3)nc2N2CCN(C(=O)CC(C)C)CC2)cc1 ZINC000096317174 568726417 /nfs/dbraw/zinc/72/64/17/568726417.db2.gz UJVWOKZPZWDPPD-UHFFFAOYSA-N 1 2 406.574 4.256 50 0 HIAALO CC[C@@H](C)c1nc(N2CCN(C(=O)NC(C)C)CC2)c(Cc2ccc(C)cc2)c(C)[nH+]1 ZINC000096317283 568726660 /nfs/dbraw/zinc/72/66/60/568726660.db2.gz AEANCCKCHPXZRH-LJQANCHMSA-N 1 2 423.605 4.438 50 0 HIAALO Cc1cccc(Cc2c(C)[nH+]c(CC(C)C)nc2N2CCN(C(=O)C(C)C)CC2)c1 ZINC000096317489 568726897 /nfs/dbraw/zinc/72/68/97/568726897.db2.gz MWEPQBIIHBQORQ-UHFFFAOYSA-N 1 2 408.590 4.187 50 0 HIAALO Cc1cc(C)c(NC(=O)CSc2[nH+]cnc3c2cnn3-c2ccccc2)c(C)c1 ZINC000000882837 568737898 /nfs/dbraw/zinc/73/78/98/568737898.db2.gz PYBLBVZVJYLAJK-UHFFFAOYSA-N 1 2 403.511 4.472 50 0 HIAALO Cc1ccc(Nc2cc(N3CCN(C(=O)c4ccc(Cl)cc4)CC3)[nH+]c(C)n2)cc1 ZINC000021793951 568753218 /nfs/dbraw/zinc/75/32/18/568753218.db2.gz RMEFLKARYIECTB-UHFFFAOYSA-N 1 2 421.932 4.453 50 0 HIAALO Cc1ccc(NC(=O)C[NH+]2CCN(c3ccc(Cl)cc3)CC2)cc1Br ZINC000055398943 568773594 /nfs/dbraw/zinc/77/35/94/568773594.db2.gz OIXXHZQKBLHXNS-UHFFFAOYSA-N 1 2 422.754 4.172 50 0 HIAALO Fc1ccccc1Cn1nc(C[NH2+]Cc2nc3ccccc3[nH]2)c(-c2ccccc2)n1 ZINC000261491994 568820133 /nfs/dbraw/zinc/82/01/33/568820133.db2.gz OSMVJKCWQIPCIR-UHFFFAOYSA-N 1 2 412.472 4.299 50 0 HIAALO Cc1ccc(C(=O)NC[C@H](c2ccco2)[NH+]2CCN(c3ccccc3F)CC2)cc1 ZINC000056945948 568821809 /nfs/dbraw/zinc/82/18/09/568821809.db2.gz YJIATIWSXAALGD-JOCHJYFZSA-N 1 2 407.489 4.020 50 0 HIAALO COc1cccc(NC(=O)[C@H](c2ccccc2)[N@H+](C)C[C@H]2COc3ccccc3O2)c1 ZINC000057388112 568831220 /nfs/dbraw/zinc/83/12/20/568831220.db2.gz BNHBTBAXPGSTFG-URXFXBBRSA-N 1 2 418.493 4.147 50 0 HIAALO COc1cccc(NC(=O)[C@H](c2ccccc2)[N@@H+](C)C[C@H]2COc3ccccc3O2)c1 ZINC000057388112 568831221 /nfs/dbraw/zinc/83/12/21/568831221.db2.gz BNHBTBAXPGSTFG-URXFXBBRSA-N 1 2 418.493 4.147 50 0 HIAALO O=C([C@@H]([NH2+][C@@H](c1cccs1)c1ccc(F)cc1)c1ccccc1)N1CCOCC1 ZINC000057470836 568838920 /nfs/dbraw/zinc/83/89/20/568838920.db2.gz VGFNLHIJUVTETP-YADHBBJMSA-N 1 2 410.514 4.166 50 0 HIAALO Cc1cccc(-n2c(SCC[NH+]3CCOCC3)nnc2-c2c[nH]c3ccccc32)c1 ZINC000012523414 568842294 /nfs/dbraw/zinc/84/22/94/568842294.db2.gz MEGNXAOVRQLAQW-UHFFFAOYSA-N 1 2 419.554 4.148 50 0 HIAALO COc1ccc2c(c1)[C@]1(C(=O)N2)[C@H](C(=O)c2ccccc2)[C@H](c2ccccc2)C[N@@H+]1C ZINC000230100221 568844053 /nfs/dbraw/zinc/84/40/53/568844053.db2.gz PIOSTILJFAGANT-AMZDPNTKSA-N 1 2 412.489 4.071 50 0 HIAALO COc1ccc2c(c1)[C@]1(C(=O)N2)[C@H](C(=O)c2ccccc2)[C@H](c2ccccc2)C[N@H+]1C ZINC000230100221 568844054 /nfs/dbraw/zinc/84/40/54/568844054.db2.gz PIOSTILJFAGANT-AMZDPNTKSA-N 1 2 412.489 4.071 50 0 HIAALO O=C(c1cc(-c2ccccn2)nc2ccccc21)N1CC[NH+](Cc2cccs2)CC1 ZINC000012544009 568849255 /nfs/dbraw/zinc/84/92/55/568849255.db2.gz JTIUMEIPHYOENN-UHFFFAOYSA-N 1 2 414.534 4.316 50 0 HIAALO COc1cccc(NC(=O)[C@H]([NH2+]Cc2nc3ccccc3n2C)c2ccccc2)c1 ZINC000012551274 568853445 /nfs/dbraw/zinc/85/34/45/568853445.db2.gz WTMGODULLFOJSZ-HSZRJFAPSA-N 1 2 400.482 4.052 50 0 HIAALO Cn1cc[nH+]c1[C@@H](NC(=O)Cc1coc2cc3c(cc12)CCC3)c1cccc(F)c1 ZINC000012560080 568857364 /nfs/dbraw/zinc/85/73/64/568857364.db2.gz WEDXBXPCBWKLFA-QHCPKHFHSA-N 1 2 403.457 4.242 50 0 HIAALO O=C(/C=C/c1ccc2ccc(Cl)cc2n1)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000030216663 568858959 /nfs/dbraw/zinc/85/89/59/568858959.db2.gz PFNKHTUQKUJSTF-MDZDMXLPSA-N 1 2 402.885 4.463 50 0 HIAALO O=c1[nH]c(C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCCO3)nc2cc(Cl)ccc12 ZINC000012567519 568860506 /nfs/dbraw/zinc/86/05/06/568860506.db2.gz LCDKTLMKCYCEDM-SFHVURJKSA-N 1 2 411.889 4.487 50 0 HIAALO O=c1[nH]c(C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCCO3)nc2cc(Cl)ccc12 ZINC000012567519 568860508 /nfs/dbraw/zinc/86/05/08/568860508.db2.gz LCDKTLMKCYCEDM-SFHVURJKSA-N 1 2 411.889 4.487 50 0 HIAALO COc1ccc(-c2nn(C[N@H+](C)C3CCCCC3)c(=S)n2C[C@@H]2CCCO2)cc1 ZINC000003243558 568866731 /nfs/dbraw/zinc/86/67/31/568866731.db2.gz MEHZVZYUXYZGRX-FQEVSTJZSA-N 1 2 416.591 4.491 50 0 HIAALO COc1ccc(-c2nn(C[N@@H+](C)C3CCCCC3)c(=S)n2C[C@@H]2CCCO2)cc1 ZINC000003243558 568866732 /nfs/dbraw/zinc/86/67/32/568866732.db2.gz MEHZVZYUXYZGRX-FQEVSTJZSA-N 1 2 416.591 4.491 50 0 HIAALO O=C(C[C@H](c1ccsc1)n1cccc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000263587722 568883345 /nfs/dbraw/zinc/88/33/45/568883345.db2.gz KMUKTVAQEGNHHS-MFJULSPGSA-N 1 2 405.567 4.387 50 0 HIAALO O=C(CN1CC[NH+](Cc2ccc(Cl)cc2)CC1)Nc1c(Cl)cccc1Cl ZINC000058146654 568892185 /nfs/dbraw/zinc/89/21/85/568892185.db2.gz QHEWKYVJNUMEOW-UHFFFAOYSA-N 1 2 412.748 4.403 50 0 HIAALO CC[N@@H+](CC(=O)Nc1ccccc1SC(F)F)C[C@H]1COc2ccccc2O1 ZINC000031174059 568917152 /nfs/dbraw/zinc/91/71/52/568917152.db2.gz PEQAXCGXELIGST-AWEZNQCLSA-N 1 2 408.470 4.102 50 0 HIAALO CC[N@H+](CC(=O)Nc1ccccc1SC(F)F)C[C@H]1COc2ccccc2O1 ZINC000031174059 568917153 /nfs/dbraw/zinc/91/71/53/568917153.db2.gz PEQAXCGXELIGST-AWEZNQCLSA-N 1 2 408.470 4.102 50 0 HIAALO CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)C[N@H+](C)Cc1ccc(Cl)cc1 ZINC000003585353 568917507 /nfs/dbraw/zinc/91/75/07/568917507.db2.gz XHVZPTPPFTXTTA-UHFFFAOYSA-N 1 2 422.934 4.160 50 0 HIAALO CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)C[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000003585353 568917509 /nfs/dbraw/zinc/91/75/09/568917509.db2.gz XHVZPTPPFTXTTA-UHFFFAOYSA-N 1 2 422.934 4.160 50 0 HIAALO COc1cc(OC)cc([C@H](NC(=O)c2ccc(Cl)c(Cl)c2)c2[nH+]ccn2C)c1 ZINC000012747249 568933112 /nfs/dbraw/zinc/93/31/12/568933112.db2.gz UCSLOXSYBAUDME-SFHVURJKSA-N 1 2 420.296 4.264 50 0 HIAALO O=C(Nc1ccc(NC(=O)C2CC2)cc1)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000084581811 568951355 /nfs/dbraw/zinc/95/13/55/568951355.db2.gz PPEQLBSKCCWGGM-YADHBBJMSA-N 1 2 415.497 4.282 50 0 HIAALO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NCCSCc3ccccc3F)c2C1 ZINC000012776316 568954821 /nfs/dbraw/zinc/95/48/21/568954821.db2.gz WEMJQBRDLWGKTB-UHFFFAOYSA-N 1 2 423.557 4.415 50 0 HIAALO CC[N@H+]1CCc2nc3ccccc3c(C(=O)NCCSCc3ccccc3F)c2C1 ZINC000012776316 568954822 /nfs/dbraw/zinc/95/48/22/568954822.db2.gz WEMJQBRDLWGKTB-UHFFFAOYSA-N 1 2 423.557 4.415 50 0 HIAALO O=C(CCc1nc2ccccc2o1)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000008036928 568969858 /nfs/dbraw/zinc/96/98/58/568969858.db2.gz OGGDTOIKZQZFHW-UHFFFAOYSA-N 1 2 418.522 4.414 50 0 HIAALO O=C(CCc1nc2ccccc2o1)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000008036928 568969860 /nfs/dbraw/zinc/96/98/60/568969860.db2.gz OGGDTOIKZQZFHW-UHFFFAOYSA-N 1 2 418.522 4.414 50 0 HIAALO C[N@H+](CC(=O)Nc1ccc(N2CCCCCC2)cc1)Cc1cnn(-c2ccccc2)c1 ZINC000008162355 568979142 /nfs/dbraw/zinc/97/91/42/568979142.db2.gz FBVMHIVRFKVJDW-UHFFFAOYSA-N 1 2 417.557 4.323 50 0 HIAALO C[N@@H+](CC(=O)Nc1ccc(N2CCCCCC2)cc1)Cc1cnn(-c2ccccc2)c1 ZINC000008162355 568979143 /nfs/dbraw/zinc/97/91/43/568979143.db2.gz FBVMHIVRFKVJDW-UHFFFAOYSA-N 1 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COc1cccc(NC(=O)NC[C@@H](c2ccco2)[N@H+]2CCc3ccccc3C2)c1OC ZINC000038633123 569003986 /nfs/dbraw/zinc/00/39/86/569003986.db2.gz GCVCRUNEVFZBDZ-FQEVSTJZSA-N 1 2 421.497 4.218 50 0 HIAALO O=C(CN1CC[NH+](Cc2ccccc2)CC1)c1ccc(OCc2ccccc2)cc1 ZINC000045068652 569013026 /nfs/dbraw/zinc/01/30/26/569013026.db2.gz YCVQEKKBVVQKGW-UHFFFAOYSA-N 1 2 400.522 4.266 50 0 HIAALO Cn1c2ccccc2[nH+]c1CCc1cccc(NS(=O)(=O)c2ccc(F)cc2)c1 ZINC000015870506 569017251 /nfs/dbraw/zinc/01/72/51/569017251.db2.gz KPFOKANOKUHOOY-UHFFFAOYSA-N 1 2 409.486 4.298 50 0 HIAALO COc1cc(NC(=O)C[N@@H+]2CCc3sccc3[C@H]2c2ccccc2)cc(OC)c1 ZINC000012928114 569024044 /nfs/dbraw/zinc/02/40/44/569024044.db2.gz CQUJFXAKPGIAFE-HSZRJFAPSA-N 1 2 408.523 4.352 50 0 HIAALO COc1cc(NC(=O)C[N@H+]2CCc3sccc3[C@H]2c2ccccc2)cc(OC)c1 ZINC000012928114 569024045 /nfs/dbraw/zinc/02/40/45/569024045.db2.gz CQUJFXAKPGIAFE-HSZRJFAPSA-N 1 2 408.523 4.352 50 0 HIAALO COc1cc2c(cc1OC)[C@@H](c1ccccc1)[N@H+](CC(=O)N1CCCCCC1)CC2 ZINC000035336595 569033170 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COc1ccccc1[C@H](NC(=O)c1cc(SC)ccc1Cl)c1[nH+]ccn1C ZINC000036396142 569168976 /nfs/dbraw/zinc/16/89/76/569168976.db2.gz RAYHHUSYJLQBIM-SFHVURJKSA-N 1 2 401.919 4.323 50 0 HIAALO COc1cc2c(cc1OC)[C@H](c1cccs1)[N@H+](CC(=O)NCc1ccccc1)CC2 ZINC000036447692 569184220 /nfs/dbraw/zinc/18/42/20/569184220.db2.gz QKUNSYHRPNBUMT-XMMPIXPASA-N 1 2 422.550 4.029 50 0 HIAALO COc1cc2c(cc1OC)[C@H](c1cccs1)[N@@H+](CC(=O)NCc1ccccc1)CC2 ZINC000036447692 569184221 /nfs/dbraw/zinc/18/42/21/569184221.db2.gz QKUNSYHRPNBUMT-XMMPIXPASA-N 1 2 422.550 4.029 50 0 HIAALO Cc1cccc(-c2noc(C3CC[NH+](CC(=O)Nc4ccc(F)cc4C)CC3)n2)c1 ZINC000065184135 569191237 /nfs/dbraw/zinc/19/12/37/569191237.db2.gz HWOBLCSAARJAEI-UHFFFAOYSA-N 1 2 408.477 4.311 50 0 HIAALO CC(=O)c1ccc(NC(=O)C[NH+]2CCC(c3nc(-c4ccc(C)cc4)no3)CC2)cc1 ZINC000065184140 569191291 /nfs/dbraw/zinc/19/12/91/569191291.db2.gz DEUODIYFLUWWMW-UHFFFAOYSA-N 1 2 418.497 4.066 50 0 HIAALO Cc1cc(N2CCCC2)nc(Nc2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2)[nH+]1 ZINC000007450862 569239498 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CCOC(=O)[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)C1 ZINC000006051427 568987989 /nfs/dbraw/zinc/98/79/89/568987989.db2.gz AQEULXLJDLNFGC-QWRGUYRKSA-N 1 2 407.725 4.249 50 0 HIAALO CCOC(=O)[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)C1 ZINC000006051427 568987986 /nfs/dbraw/zinc/98/79/86/568987986.db2.gz AQEULXLJDLNFGC-QWRGUYRKSA-N 1 2 407.725 4.249 50 0 HIAALO O=C(C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2)Nc1ccc(F)c(Cl)c1 ZINC000008310281 568988476 /nfs/dbraw/zinc/98/84/76/568988476.db2.gz CCNIVSQYYOMLDK-GOSISDBHSA-N 1 2 404.869 4.416 50 0 HIAALO O=C(C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2)Nc1ccc(F)c(Cl)c1 ZINC000008310281 568988478 /nfs/dbraw/zinc/98/84/78/568988478.db2.gz CCNIVSQYYOMLDK-GOSISDBHSA-N 1 2 404.869 4.416 50 0 HIAALO O=C(C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2)Nc1ccc(Cl)cc1F ZINC000012916822 569022367 /nfs/dbraw/zinc/02/23/67/569022367.db2.gz DGDMGZHROFQFIB-GOSISDBHSA-N 1 2 404.869 4.416 50 0 HIAALO O=C(C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2)Nc1ccc(Cl)cc1F ZINC000012916822 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CC[N@@H+](CCCNC(=O)c1noc2c1COc1ccc(C)cc1-2)c1cccc(C)c1 ZINC000032920427 521022349 /nfs/dbraw/zinc/02/23/49/521022349.db2.gz RXFUHNIZDBSUJN-UHFFFAOYSA-N 1 2 405.498 4.497 50 0 HIAALO C[N@@H+]1CCc2nc(NC(=O)c3sc4cc5c(cc4c3Cl)OCCO5)sc2C1 ZINC000032740716 524002674 /nfs/dbraw/zinc/00/26/74/524002674.db2.gz MHICQFVPNJZCRT-UHFFFAOYSA-N 1 2 421.931 4.023 50 0 HIAALO C[N@H+]1CCc2nc(NC(=O)c3sc4cc5c(cc4c3Cl)OCCO5)sc2C1 ZINC000032740716 524002677 /nfs/dbraw/zinc/00/26/77/524002677.db2.gz MHICQFVPNJZCRT-UHFFFAOYSA-N 1 2 421.931 4.023 50 0 HIAALO C[C@@H](NC(=O)NCc1ccccc1C[NH+]1CCOCC1)c1ccc2ccccc2c1 ZINC000032863399 525217387 /nfs/dbraw/zinc/21/73/87/525217387.db2.gz NRFJOWMJLVISQX-LJQANCHMSA-N 1 2 403.526 4.232 50 0 HIAALO C[C@H](c1cc2ccccc2o1)N(C)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000045116980 526039099 /nfs/dbraw/zinc/03/90/99/526039099.db2.gz JTSNUXQTNVVIHV-GOSISDBHSA-N 1 2 407.514 4.168 50 0 HIAALO Oc1ccc(-c2nc3c4c5c(sc4ncn3n2)C[N@H+](Cc2ccccc2)CC5)cc1 ZINC000020566575 526338709 /nfs/dbraw/zinc/33/87/09/526338709.db2.gz BRCLENOLCLSAEA-UHFFFAOYSA-N 1 2 413.506 4.270 50 0 HIAALO Oc1ccc(-c2nc3c4c5c(sc4ncn3n2)C[N@@H+](Cc2ccccc2)CC5)cc1 ZINC000020566575 526338712 /nfs/dbraw/zinc/33/87/12/526338712.db2.gz BRCLENOLCLSAEA-UHFFFAOYSA-N 1 2 413.506 4.270 50 0 HIAALO Cc1[nH+]c2ccccc2n1CC(=O)OCc1csc(COc2ccc(F)cc2)n1 ZINC000032901659 527166048 /nfs/dbraw/zinc/16/60/48/527166048.db2.gz OVLJMEPMTHARCB-UHFFFAOYSA-N 1 2 411.458 4.263 50 0 HIAALO COc1ccc(Cl)cc1NC(=O)C[N@H+](C)Cc1ccccc1N1CCCCC1 ZINC000012638420 536574711 /nfs/dbraw/zinc/57/47/11/536574711.db2.gz MMIOYXZQXRCNEW-UHFFFAOYSA-N 1 2 401.938 4.409 50 0 HIAALO COc1ccc(Cl)cc1NC(=O)C[N@@H+](C)Cc1ccccc1N1CCCCC1 ZINC000012638420 536574716 /nfs/dbraw/zinc/57/47/16/536574716.db2.gz MMIOYXZQXRCNEW-UHFFFAOYSA-N 1 2 401.938 4.409 50 0 HIAALO O=C(COc1ccc(Cl)cc1)NC[C@H](c1ccco1)[N@@H+]1CCc2ccccc2C1 ZINC000022906915 557852402 /nfs/dbraw/zinc/85/24/02/557852402.db2.gz VGCAUQKZDAVFKM-OAQYLSRUSA-N 1 2 410.901 4.228 50 0 HIAALO O=C(COc1ccc(Cl)cc1)NC[C@H](c1ccco1)[N@H+]1CCc2ccccc2C1 ZINC000022906915 557852405 /nfs/dbraw/zinc/85/24/05/557852405.db2.gz VGCAUQKZDAVFKM-OAQYLSRUSA-N 1 2 410.901 4.228 50 0 HIAALO COc1ccc(-n2cc(C[N@H+](C)Cc3cc(C)n[nH]3)c(-c3cccc(F)c3)n2)cc1 ZINC000011818900 558282234 /nfs/dbraw/zinc/28/22/34/558282234.db2.gz WHVSWOJDCWKZDV-UHFFFAOYSA-N 1 2 405.477 4.351 50 0 HIAALO COc1ccc(-n2cc(C[N@@H+](C)Cc3cc(C)n[nH]3)c(-c3cccc(F)c3)n2)cc1 ZINC000011818900 558282238 /nfs/dbraw/zinc/28/22/38/558282238.db2.gz WHVSWOJDCWKZDV-UHFFFAOYSA-N 1 2 405.477 4.351 50 0 HIAALO Cc1oc(-c2cc3c(cc2Cl)OCO3)nc1CN(C)Cc1c[nH+]c2ccccn12 ZINC000019853298 558295909 /nfs/dbraw/zinc/29/59/09/558295909.db2.gz HOIITQATDJPKJM-UHFFFAOYSA-N 1 2 410.861 4.312 50 0 HIAALO Cc1ccc2[nH]c3c(c2c1)C[N@H+](Cc1cn(C)nc1-c1ccc2c(c1)OCCO2)CC3 ZINC000020200920 558345759 /nfs/dbraw/zinc/34/57/59/558345759.db2.gz PFCJHRDQLSKHFM-UHFFFAOYSA-N 1 2 414.509 4.206 50 0 HIAALO Cc1ccc2[nH]c3c(c2c1)C[N@@H+](Cc1cn(C)nc1-c1ccc2c(c1)OCCO2)CC3 ZINC000020200920 558345764 /nfs/dbraw/zinc/34/57/64/558345764.db2.gz PFCJHRDQLSKHFM-UHFFFAOYSA-N 1 2 414.509 4.206 50 0 HIAALO Cc1cccc(OC[C@@H](O)C[NH+]2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000020322239 558355227 /nfs/dbraw/zinc/35/52/27/558355227.db2.gz FFSCOSGWUPJUSG-VWLOTQADSA-N 1 2 416.565 4.142 50 0 HIAALO COc1cc(-c2n[nH]cc2C[N@@H+]2CCCC[C@H]2c2nccs2)cc(OC)c1OC ZINC000012447176 558414667 /nfs/dbraw/zinc/41/46/67/558414667.db2.gz PBVAEQHBPDSUIZ-INIZCTEOSA-N 1 2 414.531 4.286 50 0 HIAALO COc1cc(-c2n[nH]cc2C[N@H+]2CCCC[C@H]2c2nccs2)cc(OC)c1OC ZINC000012447176 558414670 /nfs/dbraw/zinc/41/46/70/558414670.db2.gz PBVAEQHBPDSUIZ-INIZCTEOSA-N 1 2 414.531 4.286 50 0 HIAALO COc1ccc(C[N@@H+]2CCc3nc(Nc4ccc(F)cc4F)ncc3C2)cc1OC ZINC000021038604 558430019 /nfs/dbraw/zinc/43/00/19/558430019.db2.gz USHGMPMCPCEWEX-UHFFFAOYSA-N 1 2 412.440 4.074 50 0 HIAALO COc1ccc(C[N@H+]2CCc3nc(Nc4ccc(F)cc4F)ncc3C2)cc1OC ZINC000021038604 558430021 /nfs/dbraw/zinc/43/00/21/558430021.db2.gz USHGMPMCPCEWEX-UHFFFAOYSA-N 1 2 412.440 4.074 50 0 HIAALO CN(Cc1cccc2ncccc12)C(=O)c1cc(C[N@H+](C)Cc2ccccc2)on1 ZINC000012704694 558449322 /nfs/dbraw/zinc/44/93/22/558449322.db2.gz HHIPECQJPVFSIY-UHFFFAOYSA-N 1 2 400.482 4.127 50 0 HIAALO CN(Cc1cccc2ncccc12)C(=O)c1cc(C[N@@H+](C)Cc2ccccc2)on1 ZINC000012704694 558449328 /nfs/dbraw/zinc/44/93/28/558449328.db2.gz HHIPECQJPVFSIY-UHFFFAOYSA-N 1 2 400.482 4.127 50 0 HIAALO O=C(c1cccnc1)[C@H]1CCC[N@@H+](Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)C1 ZINC000012715093 558454568 /nfs/dbraw/zinc/45/45/68/558454568.db2.gz VMOFXHWCHCBPHF-INIZCTEOSA-N 1 2 416.403 4.245 50 0 HIAALO O=C(c1cccnc1)[C@H]1CCC[N@H+](Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)C1 ZINC000012715093 558454571 /nfs/dbraw/zinc/45/45/71/558454571.db2.gz VMOFXHWCHCBPHF-INIZCTEOSA-N 1 2 416.403 4.245 50 0 HIAALO CCc1ccc(NC(=O)[C@@H](C)[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000013038364 558505603 /nfs/dbraw/zinc/50/56/03/558505603.db2.gz CNRUGCOPIUAALS-MRXNPFEDSA-N 1 2 405.464 4.417 50 0 HIAALO COc1cc2nc(C[NH2+][C@H](C)c3ccc(Cl)cc3Cl)[nH]c(=O)c2cc1OC ZINC000023805215 558576580 /nfs/dbraw/zinc/57/65/80/558576580.db2.gz LHQCLJADOWOXLD-SNVBAGLBSA-N 1 2 408.285 4.098 50 0 HIAALO C[C@]1(c2ccc3ccccc3c2)NC(=O)N(C[N@H+](Cc2ccc(F)cc2)C2CC2)C1=O ZINC000023852384 558577870 /nfs/dbraw/zinc/57/78/70/558577870.db2.gz BMISUGFWHPDSNO-RUZDIDTESA-N 1 2 417.484 4.368 50 0 HIAALO C[C@]1(c2ccc3ccccc3c2)NC(=O)N(C[N@@H+](Cc2ccc(F)cc2)C2CC2)C1=O ZINC000023852384 558577872 /nfs/dbraw/zinc/57/78/72/558577872.db2.gz BMISUGFWHPDSNO-RUZDIDTESA-N 1 2 417.484 4.368 50 0 HIAALO O=C(NCc1ccccc1C[NH+]1CCOCC1)c1ccccc1COc1ccccc1 ZINC000023873288 558579080 /nfs/dbraw/zinc/57/90/80/558579080.db2.gz YPQFCMQCLFSILI-UHFFFAOYSA-N 1 2 416.521 4.028 50 0 HIAALO COc1cccc([C@@H](NC(=O)CSc2nc3ccccc3s2)c2[nH+]ccn2C)c1 ZINC000024018135 558584602 /nfs/dbraw/zinc/58/46/02/558584602.db2.gz XGOMKIRCVXINQP-LJQANCHMSA-N 1 2 424.551 4.036 50 0 HIAALO FC(F)(F)c1nc2ccccc2c(NC[C@@H](c2cccs2)[NH+]2CCOCC2)n1 ZINC000014137360 558624443 /nfs/dbraw/zinc/62/44/43/558624443.db2.gz GSRHHMKZSNLKCA-HNNXBMFYSA-N 1 2 408.449 4.196 50 0 HIAALO Cc1c(C(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000025011532 558627062 /nfs/dbraw/zinc/62/70/62/558627062.db2.gz RDFJUKVAVODTIE-UHFFFAOYSA-N 1 2 414.575 4.419 50 0 HIAALO O=C(c1ccccc1OCc1ccc(F)cc1)N1CC[NH+](Cc2cccs2)CC1 ZINC000014241738 558644281 /nfs/dbraw/zinc/64/42/81/558644281.db2.gz NSCIOPHSTMTIOM-UHFFFAOYSA-N 1 2 410.514 4.424 50 0 HIAALO CC(C)c1ccc([C@H](CNC(=O)COc2ccc(Cl)cc2)[NH+]2CCOCC2)cc1 ZINC000028291046 558697379 /nfs/dbraw/zinc/69/73/79/558697379.db2.gz WTRIYCIRXRCFEG-QFIPXVFZSA-N 1 2 416.949 4.032 50 0 HIAALO COc1cccc([C@H](NC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)c2[nH+]ccn2C)c1 ZINC000029331852 558713680 /nfs/dbraw/zinc/71/36/80/558713680.db2.gz JAODZYBUSUECDB-SBUREZEXSA-N 1 2 418.541 4.457 50 0 HIAALO O=C(NCCc1cn2ccccc2[nH+]1)c1ccccc1-c1ccc(Cn2cccn2)cc1 ZINC000029981913 558725369 /nfs/dbraw/zinc/72/53/69/558725369.db2.gz UOVWMVZOCHRQHU-UHFFFAOYSA-N 1 2 421.504 4.219 50 0 HIAALO O=C(c1cccnc1NCc1cn2cc(Cl)ccc2[nH+]1)N1CCc2ccccc21 ZINC000072301805 558751881 /nfs/dbraw/zinc/75/18/81/558751881.db2.gz DLSBGSREIARUDP-UHFFFAOYSA-N 1 2 403.873 4.198 50 0 HIAALO CCOC(=O)Nc1cccc(C(=O)N[C@H](c2[nH+]ccn2C)c2ccc(Cl)cc2)c1 ZINC000016262944 558781816 /nfs/dbraw/zinc/78/18/16/558781816.db2.gz AAKOREZWKHEHQA-SFHVURJKSA-N 1 2 412.877 4.161 50 0 HIAALO COc1cc(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccc(Cl)cc2)ccc1OC(F)F ZINC000016262047 558781882 /nfs/dbraw/zinc/78/18/82/558781882.db2.gz VMGCETKEZAUGDM-QGZVFWFLSA-N 1 2 421.831 4.203 50 0 HIAALO CCc1sc(NC(=O)C[NH+]2CCN(c3ccccc3)CC2)nc1-c1ccccc1 ZINC000035354345 558790236 /nfs/dbraw/zinc/79/02/36/558790236.db2.gz XABBEHZPTQMAAG-UHFFFAOYSA-N 1 2 406.555 4.133 50 0 HIAALO CCOC(=O)C1(CCOc2ccccc2)CC[NH+](Cc2nc3ccccc3[nH]2)CC1 ZINC000053537546 558864657 /nfs/dbraw/zinc/86/46/57/558864657.db2.gz DFCIYMPHQLDPTE-UHFFFAOYSA-N 1 2 407.514 4.177 50 0 HIAALO Cc1ccc2[nH]c(N3CCC[C@@H](C(=O)NCc4ccc(OC(C)C)cc4)C3)[nH+]c2c1 ZINC000033072224 558866895 /nfs/dbraw/zinc/86/68/95/558866895.db2.gz JPEIIQZIOWETSB-LJQANCHMSA-N 1 2 406.530 4.191 50 0 HIAALO Cc1ccc2[nH+]c(N3CCC[C@@H](C(=O)NCc4ccc(OC(C)C)cc4)C3)[nH]c2c1 ZINC000033072224 558866897 /nfs/dbraw/zinc/86/68/97/558866897.db2.gz JPEIIQZIOWETSB-LJQANCHMSA-N 1 2 406.530 4.191 50 0 HIAALO COc1ccc(Cl)cc1NC(=O)C1CCN(c2ccc(-n3cccc3)c[nH+]2)CC1 ZINC000033106211 558873767 /nfs/dbraw/zinc/87/37/67/558873767.db2.gz DHOAJOZAFZNBMO-UHFFFAOYSA-N 1 2 410.905 4.389 50 0 HIAALO CCn1c2ccccc2[nH+]c1N1CCN(C(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000033106460 558874259 /nfs/dbraw/zinc/87/42/59/558874259.db2.gz UBFCOIYZSQVDJT-UHFFFAOYSA-N 1 2 417.435 4.429 50 0 HIAALO COc1ccc2cc(C(=O)[C@@H]3CCC[N@H+](Cc4cnc(SC)nc4)C3)ccc2c1 ZINC000055211924 558876260 /nfs/dbraw/zinc/87/62/60/558876260.db2.gz SPJAEUVZGHDGEO-HXUWFJFHSA-N 1 2 407.539 4.455 50 0 HIAALO COc1ccc2cc(C(=O)[C@@H]3CCC[N@@H+](Cc4cnc(SC)nc4)C3)ccc2c1 ZINC000055211924 558876261 /nfs/dbraw/zinc/87/62/61/558876261.db2.gz SPJAEUVZGHDGEO-HXUWFJFHSA-N 1 2 407.539 4.455 50 0 HIAALO Cn1cc[nH+]c1C=C(C(=O)Nc1cccc(Cl)c1)C(=O)Nc1cccc(Cl)c1 ZINC000058304540 558917790 /nfs/dbraw/zinc/91/77/90/558917790.db2.gz WRHRVCKRGRLOTO-UHFFFAOYSA-N 1 2 415.280 4.388 50 0 HIAALO COc1ccc(-c2nn(-c3ccccc3C)cc2C[N@H+](C)Cc2nccn2C)cc1F ZINC000076915972 558998098 /nfs/dbraw/zinc/99/80/98/558998098.db2.gz DFTJVYWDRHMAJA-UHFFFAOYSA-N 1 2 419.504 4.361 50 0 HIAALO COc1ccc(-c2nn(-c3ccccc3C)cc2C[N@@H+](C)Cc2nccn2C)cc1F ZINC000076915972 558998099 /nfs/dbraw/zinc/99/80/99/558998099.db2.gz DFTJVYWDRHMAJA-UHFFFAOYSA-N 1 2 419.504 4.361 50 0 HIAALO COc1ccc(-c2nn(-c3ccccc3C)cc2CN(C)Cc2[nH+]ccn2C)cc1F ZINC000076915972 558998101 /nfs/dbraw/zinc/99/81/01/558998101.db2.gz DFTJVYWDRHMAJA-UHFFFAOYSA-N 1 2 419.504 4.361 50 0 HIAALO O=S(=O)(/C=C/c1ccccc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000033418261 559167846 /nfs/dbraw/zinc/16/78/46/559167846.db2.gz HLGZWDPLQDEYCM-LTGZKZEYSA-N 1 2 418.562 4.394 50 0 HIAALO C[C@@H](Sc1[nH+]cnc2c1cnn2C)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000011682159 559176938 /nfs/dbraw/zinc/17/69/38/559176938.db2.gz FGEGGAVPPUPFAY-VHSXEESVSA-N 1 2 410.330 4.028 50 0 HIAALO O=C(NC1CCCC1)C1CCN(c2[nH+]c3ccccc3n2Cc2ccc(F)cc2)CC1 ZINC000004911527 559202812 /nfs/dbraw/zinc/20/28/12/559202812.db2.gz GMVXJHKVXNJKOP-UHFFFAOYSA-N 1 2 420.532 4.499 50 0 HIAALO O=C1C2=C(c3ccccc3)[NH2+]N(c3ccccc3)[C@H]2C(=O)N1c1ccccc1Cl ZINC000100735063 559260758 /nfs/dbraw/zinc/26/07/58/559260758.db2.gz AMUMQYGPZWXRAT-PZJWPPBQSA-N 1 2 401.853 4.123 50 0 HIAALO O=C(c1ccc(OCc2ccccc2Cl)cc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000018227909 560785062 /nfs/dbraw/zinc/78/50/62/560785062.db2.gz OARUXTFZZJMPTQ-UHFFFAOYSA-N 1 2 407.901 4.276 50 0 HIAALO CC(C)[C@@H](C)NC(=O)C[N@@H+]1CCC[C@H]1c1nc(-c2cccc(C(F)(F)F)c2)c[nH]1 ZINC000106922416 560894405 /nfs/dbraw/zinc/89/44/05/560894405.db2.gz VRQZHMSFJMHLPT-KDOFPFPSSA-N 1 2 408.468 4.393 50 0 HIAALO CC(C)[C@@H](C)NC(=O)C[N@H+]1CCC[C@H]1c1nc(-c2cccc(C(F)(F)F)c2)c[nH]1 ZINC000106922416 560894407 /nfs/dbraw/zinc/89/44/07/560894407.db2.gz VRQZHMSFJMHLPT-KDOFPFPSSA-N 1 2 408.468 4.393 50 0 HIAALO Cc1ccc(NC(=O)C[NH+]2CCC(c3nc(-c4ccc(F)cc4)no3)CC2)cc1F ZINC000049403425 568448323 /nfs/dbraw/zinc/44/83/23/568448323.db2.gz WQTVTGAKGRXBMT-UHFFFAOYSA-N 1 2 412.440 4.141 50 0 HIAALO CC1CCN(c2cc(-c3[nH+]ccn3CC(=O)NCc3ccccc3Cl)ccn2)CC1 ZINC000049409758 568449667 /nfs/dbraw/zinc/44/96/67/568449667.db2.gz OKZSUGNGUORLLW-UHFFFAOYSA-N 1 2 423.948 4.151 50 0 HIAALO C[C@@H](NC(=O)c1ccco1)[C@@H](c1cccs1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000020288925 568597889 /nfs/dbraw/zinc/59/78/89/568597889.db2.gz UTHZDDBVRIOCTD-IERDGZPVSA-N 1 2 413.518 4.162 50 0 HIAALO CC(C)[N@@H+]1Cc2cccc(NS(=O)(=O)c3ccc(F)c(C(F)(F)F)c3)c2C1 ZINC000095466288 568624143 /nfs/dbraw/zinc/62/41/43/568624143.db2.gz QZJFOWOTCHOHRP-UHFFFAOYSA-N 1 2 402.413 4.369 50 0 HIAALO CC(C)[N@H+]1Cc2cccc(NS(=O)(=O)c3ccc(F)c(C(F)(F)F)c3)c2C1 ZINC000095466288 568624146 /nfs/dbraw/zinc/62/41/46/568624146.db2.gz QZJFOWOTCHOHRP-UHFFFAOYSA-N 1 2 402.413 4.369 50 0 HIAALO Cc1cc(NC(=O)c2nn(C(C)C)c(=O)c3ccccc32)c[nH+]c1N1CCCC[C@@H]1C ZINC000095468407 568625045 /nfs/dbraw/zinc/62/50/45/568625045.db2.gz OWHJTRZXCBNSPZ-KRWDZBQOSA-N 1 2 419.529 4.312 50 0 HIAALO Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[N@@H+]1C[C@H](C)C[C@H]1c1cccnc1 ZINC000225397243 568633933 /nfs/dbraw/zinc/63/39/33/568633933.db2.gz IBPIMNQYMKPVRO-VGSWGCGISA-N 1 2 403.530 4.214 50 0 HIAALO Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[N@H+]1C[C@H](C)C[C@H]1c1cccnc1 ZINC000225397243 568633935 /nfs/dbraw/zinc/63/39/35/568633935.db2.gz IBPIMNQYMKPVRO-VGSWGCGISA-N 1 2 403.530 4.214 50 0 HIAALO Cc1ccc(-n2ncc3c2nc[nH+]c3N2CCN(c3cccc(Cl)c3)CC2)cc1C ZINC000020662122 568639139 /nfs/dbraw/zinc/63/91/39/568639139.db2.gz QBDSZGNXTDAGHD-UHFFFAOYSA-N 1 2 418.932 4.412 50 0 HIAALO Cc1ccccc1Cn1c2ccccc2[nH+]c1N1CCC(C(=O)N2CCCC2)CC1 ZINC000021160029 568674489 /nfs/dbraw/zinc/67/44/89/568674489.db2.gz UDFZRFXASUGPKB-UHFFFAOYSA-N 1 2 402.542 4.232 50 0 HIAALO Clc1ccc(C[N@@H+]2CCc3nc(Nc4ccc5c(c4)OCCO5)ncc3C2)cc1 ZINC000021261944 568685672 /nfs/dbraw/zinc/68/56/72/568685672.db2.gz KILORUFVRVIPCN-UHFFFAOYSA-N 1 2 408.889 4.203 50 0 aggregator HIAALO Clc1ccc(C[N@H+]2CCc3nc(Nc4ccc5c(c4)OCCO5)ncc3C2)cc1 ZINC000021261944 568685674 /nfs/dbraw/zinc/68/56/74/568685674.db2.gz KILORUFVRVIPCN-UHFFFAOYSA-N 1 2 408.889 4.203 50 0 aggregator HIAALO Cc1cc(C)c2[nH+]c(C)cc(NC(=O)CCCN3C(=O)c4ccccc4C3=O)c2c1 ZINC000012421885 568720706 /nfs/dbraw/zinc/72/07/06/568720706.db2.gz DYYZNCBFFMHDPL-UHFFFAOYSA-N 1 2 401.466 4.175 50 0 HIAALO C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000096297640 568722499 /nfs/dbraw/zinc/72/24/99/568722499.db2.gz PDMONCODNSXZOW-MTIYJEKLSA-N 1 2 417.475 4.363 50 0 HIAALO Cn1cc[nH+]c1[C@H](NC(=O)c1cc(Br)ccc1F)c1ccc(Cl)cc1 ZINC000021600996 568722805 /nfs/dbraw/zinc/72/28/05/568722805.db2.gz YLTBMCPCWWYZOV-MRXNPFEDSA-N 1 2 422.685 4.495 50 0 HIAALO CCC(=O)N1CCN(c2nc(C3CC3)[nH+]c(CC)c2Cc2cccc(Cl)c2)CC1 ZINC000096316849 568725906 /nfs/dbraw/zinc/72/59/06/568725906.db2.gz YEXITVGXZSVGAD-UHFFFAOYSA-N 1 2 412.965 4.219 50 0 HIAALO CCc1[nH+]c(C2CC2)nc(N2CCN(C(=O)C3CC3)CC2)c1Cc1cccc(Cl)c1 ZINC000096316850 568725976 /nfs/dbraw/zinc/72/59/76/568725976.db2.gz QXUQXXRCHSWCGP-UHFFFAOYSA-N 1 2 424.976 4.219 50 0 HIAALO CCNC(=O)N1CCN(c2nc([C@@H](C)CC)[nH+]c(C)c2Cc2ccc(C)cc2)CC1 ZINC000096317282 568726691 /nfs/dbraw/zinc/72/66/91/568726691.db2.gz CHPXBXCTKOQWDY-SFHVURJKSA-N 1 2 409.578 4.049 50 0 HIAALO Cc1ccc(C)c(S(=O)(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000025143167 568752480 /nfs/dbraw/zinc/75/24/80/568752480.db2.gz SOOAUPSWVREFCW-UHFFFAOYSA-N 1 2 420.578 4.399 50 0 HIAALO O=C(NC[C@H](c1ccco1)[NH+]1CCN(c2ccccc2)CC1)c1cccc(Cl)c1 ZINC000056945271 568821578 /nfs/dbraw/zinc/82/15/78/568821578.db2.gz DBKZIPXKIKFBKD-OAQYLSRUSA-N 1 2 409.917 4.226 50 0 HIAALO COc1ccccc1N1CC[NH+](CC(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 ZINC000057363858 568829367 /nfs/dbraw/zinc/82/93/67/568829367.db2.gz JMKLLFHFMQPSIB-UHFFFAOYSA-N 1 2 417.509 4.248 50 0 HIAALO COc1ccccc1[C@H](NC(=O)Cc1ccc(Cl)c(Cl)c1)c1[nH+]ccn1C ZINC000012525075 568842622 /nfs/dbraw/zinc/84/26/22/568842622.db2.gz QFDMFZHDSDFLOP-IBGZPJMESA-N 1 2 404.297 4.184 50 0 HIAALO Cc1ccc2[nH+]c(COC(=O)c3nccnc3-c3nc4ccccc4s3)cn2c1 ZINC000012525083 568842638 /nfs/dbraw/zinc/84/26/38/568842638.db2.gz JRFFGXQEUHMCJZ-UHFFFAOYSA-N 1 2 401.451 4.066 50 0 HIAALO Cn1cc[nH+]c1[C@H](NC(=O)C(C)(C)Oc1ccc(Cl)cc1)c1ccccc1F ZINC000012541401 568848527 /nfs/dbraw/zinc/84/85/27/568848527.db2.gz PMFNSJVTLQXRDH-GOSISDBHSA-N 1 2 401.869 4.276 50 0 HIAALO O=C(C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)N[C@H]1CCCc2ccccc21 ZINC000057816112 568861635 /nfs/dbraw/zinc/86/16/35/568861635.db2.gz QMELPRQQGYHRMD-NRFANRHFSA-N 1 2 417.475 4.021 50 0 HIAALO COc1ccc(Br)cc1C[N@H+](C)CC(=O)Nc1ccc2c(c1)CCC2 ZINC000003540904 568861889 /nfs/dbraw/zinc/86/18/89/568861889.db2.gz HISNOGGIJZTNPI-UHFFFAOYSA-N 1 2 403.320 4.017 50 0 HIAALO COc1ccc(Br)cc1C[N@@H+](C)CC(=O)Nc1ccc2c(c1)CCC2 ZINC000003540904 568861890 /nfs/dbraw/zinc/86/18/90/568861890.db2.gz HISNOGGIJZTNPI-UHFFFAOYSA-N 1 2 403.320 4.017 50 0 HIAALO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)c1cc2cc(Br)ccc2[nH]1 ZINC000030563998 568871491 /nfs/dbraw/zinc/87/14/91/568871491.db2.gz XVMXGAHNOPEHNE-UHFFFAOYSA-N 1 2 409.287 4.105 50 0 HIAALO O=C(C[NH+]1CCN(c2ccc(F)cc2)CC1)Nc1ccc(OCc2ccccc2)cc1 ZINC000058139290 568890484 /nfs/dbraw/zinc/89/04/84/568890484.db2.gz FWEIBLVWXVZSCN-UHFFFAOYSA-N 1 2 419.500 4.165 50 0 HIAALO COc1ccc([C@H](NC(=O)c2csc(-c3ccsc3)n2)c2[nH+]ccn2C)cc1 ZINC000030983415 568907703 /nfs/dbraw/zinc/90/77/03/568907703.db2.gz RKXHGSBOWSDSAY-KRWDZBQOSA-N 1 2 410.524 4.133 50 0 HIAALO COc1cc(OC)cc([C@@H](NC(=O)c2cc3ccccc3s2)c2[nH+]ccn2C)c1 ZINC000012736520 568925539 /nfs/dbraw/zinc/92/55/39/568925539.db2.gz JMEFPTCDENDZAG-HXUWFJFHSA-N 1 2 407.495 4.171 50 0 HIAALO COc1cc(OC)cc([C@@H](NC(=O)c2ccc(Cl)c(Cl)c2)c2[nH+]ccn2C)c1 ZINC000012747244 568933118 /nfs/dbraw/zinc/93/31/18/568933118.db2.gz UCSLOXSYBAUDME-GOSISDBHSA-N 1 2 420.296 4.264 50 0 HIAALO COc1ccc(NC(=O)C[N@@H+]2CCc3sccc3[C@H]2c2ccccc2)cc1OC ZINC000012758931 568943561 /nfs/dbraw/zinc/94/35/61/568943561.db2.gz ZTNJUFPKEXBIMO-HSZRJFAPSA-N 1 2 408.523 4.352 50 0 HIAALO COc1ccc(NC(=O)C[N@H+]2CCc3sccc3[C@H]2c2ccccc2)cc1OC ZINC000012758931 568943563 /nfs/dbraw/zinc/94/35/63/568943563.db2.gz ZTNJUFPKEXBIMO-HSZRJFAPSA-N 1 2 408.523 4.352 50 0 HIAALO COC(=O)c1ccc(C)c(NC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)c1 ZINC000084186096 568944024 /nfs/dbraw/zinc/94/40/24/568944024.db2.gz LFKDRSBHASHFHB-LEWJYISDSA-N 1 2 404.470 4.028 50 0 HIAALO CCc1noc(CSc2nnc(C[NH+]3CCCCC3)n2-c2ccc(Cl)cc2)n1 ZINC000012768040 568949333 /nfs/dbraw/zinc/94/93/33/568949333.db2.gz MRSKNNIJPPUPLU-UHFFFAOYSA-N 1 2 418.954 4.144 50 0 HIAALO O=C(Nc1ccc(NC(=O)C2CC2)cc1)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000084581809 568951247 /nfs/dbraw/zinc/95/12/47/568951247.db2.gz PPEQLBSKCCWGGM-FGZHOGPDSA-N 1 2 415.497 4.282 50 0 HIAALO CC[C@H](c1ccccc1)[N@H+](CC(=O)OC)Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000084734666 568957425 /nfs/dbraw/zinc/95/74/25/568957425.db2.gz JUKOEUMADJHRRM-HSZRJFAPSA-N 1 2 408.542 4.439 50 0 HIAALO CC[C@H](c1ccccc1)[N@@H+](CC(=O)OC)Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000084734666 568957426 /nfs/dbraw/zinc/95/74/26/568957426.db2.gz JUKOEUMADJHRRM-HSZRJFAPSA-N 1 2 408.542 4.439 50 0 HIAALO CC[N@H+](CC(=O)Nc1c(C)nn(-c2ccccc2)c1C)Cc1ccc(OC)c(F)c1 ZINC000008214300 568982904 /nfs/dbraw/zinc/98/29/04/568982904.db2.gz ZVTABKHYQAFQTL-UHFFFAOYSA-N 1 2 410.493 4.097 50 0 HIAALO CC[N@@H+](CC(=O)Nc1c(C)nn(-c2ccccc2)c1C)Cc1ccc(OC)c(F)c1 ZINC000008214300 568982906 /nfs/dbraw/zinc/98/29/06/568982906.db2.gz ZVTABKHYQAFQTL-UHFFFAOYSA-N 1 2 410.493 4.097 50 0 HIAALO Cc1oc(-c2ccc(C(=O)NC(C)C)cc2)nc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000063676497 569001561 /nfs/dbraw/zinc/00/15/61/569001561.db2.gz HQSZAURFYYVDSY-UHFFFAOYSA-N 1 2 418.541 4.110 50 0 HIAALO O=C(c1ccc(C(F)(F)F)cc1)N1CC[NH+](Cc2cc(F)cc3cccnc32)CC1 ZINC000026360480 569031487 /nfs/dbraw/zinc/03/14/87/569031487.db2.gz JKTRBTYAJAMUGO-UHFFFAOYSA-N 1 2 417.406 4.351 50 0 HIAALO O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CCC[N@@H+]1CCn1c(=O)oc2ccccc21 ZINC000026460363 569031924 /nfs/dbraw/zinc/03/19/24/569031924.db2.gz RRWIDTHJBMXAKD-KRWDZBQOSA-N 1 2 420.296 4.004 50 0 HIAALO O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CCC[N@H+]1CCn1c(=O)oc2ccccc21 ZINC000026460363 569031925 /nfs/dbraw/zinc/03/19/25/569031925.db2.gz RRWIDTHJBMXAKD-KRWDZBQOSA-N 1 2 420.296 4.004 50 0 HIAALO O=C(c1cc(-c2ccccc2)nn1-c1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000035708493 569052758 /nfs/dbraw/zinc/05/27/58/569052758.db2.gz VHBSZJBRJBIFHI-UHFFFAOYSA-N 1 2 422.532 4.497 50 0 HIAALO CC(=O)[C@H](Cc1ccccc1)NC(=O)C[N@@H+]1CCc2sccc2[C@H]1c1ccccc1 ZINC000241409019 569054805 /nfs/dbraw/zinc/05/48/05/569054805.db2.gz NDWVBXVQXBFCRA-WIOPSUGQSA-N 1 2 418.562 4.012 50 0 HIAALO CC(=O)[C@H](Cc1ccccc1)NC(=O)C[N@H+]1CCc2sccc2[C@H]1c1ccccc1 ZINC000241409019 569054806 /nfs/dbraw/zinc/05/48/06/569054806.db2.gz NDWVBXVQXBFCRA-WIOPSUGQSA-N 1 2 418.562 4.012 50 0 HIAALO COc1ccc(C[N@H+](C)[C@@H](C)c2nc(=O)c3c4c(sc3[nH]2)C[C@H](C)CC4)cc1F ZINC000035741575 569057250 /nfs/dbraw/zinc/05/72/50/569057250.db2.gz USQGLMMIWNGYFN-OLZOCXBDSA-N 1 2 415.534 4.450 50 0 HIAALO COc1ccc(C[N@@H+](C)[C@@H](C)c2nc(=O)c3c4c(sc3[nH]2)C[C@H](C)CC4)cc1F ZINC000035741575 569057251 /nfs/dbraw/zinc/05/72/51/569057251.db2.gz USQGLMMIWNGYFN-OLZOCXBDSA-N 1 2 415.534 4.450 50 0 HIAALO CCOC(=O)c1cccc(Nc2c(C(=O)N3CCSCC3)c[nH+]c3ccccc32)c1 ZINC000064471855 569063504 /nfs/dbraw/zinc/06/35/04/569063504.db2.gz LIUHJCVYIGETRS-UHFFFAOYSA-N 1 2 421.522 4.344 50 0 HIAALO Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)N[C@@H](C)c3ccc(C)nc3)csc2C1 ZINC000426647009 569073747 /nfs/dbraw/zinc/07/37/47/569073747.db2.gz HGIGSFGZPHEECF-AWEZNQCLSA-N 1 2 410.543 4.106 50 0 HIAALO Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)N[C@@H](C)c3ccc(C)nc3)csc2C1 ZINC000426647009 569073748 /nfs/dbraw/zinc/07/37/48/569073748.db2.gz HGIGSFGZPHEECF-AWEZNQCLSA-N 1 2 410.543 4.106 50 0 HIAALO CCOc1ccc([C@H](C2Sc3nc(C)nn3C2=O)[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000036066085 569085697 /nfs/dbraw/zinc/08/56/97/569085697.db2.gz AFKUFBSBDGUBHE-SUNYJGFJSA-N 1 2 400.548 4.271 50 0 HIAALO CCOc1ccc([C@@H](C2Sc3nc(C)nn3C2=O)[N@@H+]2CCC[C@H](C)C2)cc1OC ZINC000036066078 569085720 /nfs/dbraw/zinc/08/57/20/569085720.db2.gz ZWBQGHGHGQBBGJ-UGSOOPFHSA-N 1 2 416.547 4.033 50 0 HIAALO CCOc1ccc([C@@H](C2Sc3nc(C)nn3C2=O)[N@H+]2CCC[C@H](C)C2)cc1OC ZINC000036066078 569085721 /nfs/dbraw/zinc/08/57/21/569085721.db2.gz ZWBQGHGHGQBBGJ-UGSOOPFHSA-N 1 2 416.547 4.033 50 0 HIAALO CC[C@H](C)NC(=O)c1coc(C[N@H+](Cc2cc(OC)ccc2OC)[C@@H](C)CC)n1 ZINC000036082606 569087055 /nfs/dbraw/zinc/08/70/55/569087055.db2.gz LZRHHXWVPIBWRK-HOTGVXAUSA-N 1 2 403.523 4.021 50 0 HIAALO CC[C@H](C)NC(=O)c1coc(C[N@@H+](Cc2cc(OC)ccc2OC)[C@@H](C)CC)n1 ZINC000036082606 569087056 /nfs/dbraw/zinc/08/70/56/569087056.db2.gz LZRHHXWVPIBWRK-HOTGVXAUSA-N 1 2 403.523 4.021 50 0 HIAALO Clc1cccc(-n2c(SCc3cn4ccccc4[nH+]3)nnc2N2CCCC2)c1 ZINC000006935474 569186203 /nfs/dbraw/zinc/18/62/03/569186203.db2.gz QGZMSXCKVFECMJ-UHFFFAOYSA-N 1 2 410.934 4.461 50 0 HIAALO O=C(CCc1ccccc1)N1CCC[N@@H+](Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000065172452 569189713 /nfs/dbraw/zinc/18/97/13/569189713.db2.gz WPSOWPFVYUXYMT-UHFFFAOYSA-N 1 2 424.932 4.057 50 0 HIAALO O=C(CCc1ccccc1)N1CCC[N@H+](Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000065172452 569189715 /nfs/dbraw/zinc/18/97/15/569189715.db2.gz WPSOWPFVYUXYMT-UHFFFAOYSA-N 1 2 424.932 4.057 50 0 HIAALO O=C(c1cccc(-c2ccc(N3CCCCCC3)[nH+]c2)c1)N1CCC2(CC1)OCCO2 ZINC000065178394 569191798 /nfs/dbraw/zinc/19/17/98/569191798.db2.gz STCRSKDDWLDYSP-UHFFFAOYSA-N 1 2 421.541 4.108 50 0 HIAALO O=C(NCc1ccc(F)cc1)c1ccc(-c2ccc(N3CCSCC3)[nH+]c2)cc1 ZINC000065178320 569191811 /nfs/dbraw/zinc/19/18/11/569191811.db2.gz IETYWCXCVSRHKG-UHFFFAOYSA-N 1 2 407.514 4.371 50 0 HIAALO Cc1[nH+]c2ccccc2n1CC1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000036708835 569223710 /nfs/dbraw/zinc/22/37/10/569223710.db2.gz UOTFCJKXAIFPEW-UHFFFAOYSA-N 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/nfs/dbraw/zinc/29/80/88/569298088.db2.gz QMKRHNHQTOGZJG-UHFFFAOYSA-N 1 2 400.784 4.158 50 0 HIAALO CCCCOc1ccc(NC(=O)NC[C@@H](c2ccoc2)[NH+]2CCSCC2)cc1 ZINC000253409086 569366376 /nfs/dbraw/zinc/36/63/76/569366376.db2.gz ZLMUYJZFSCUVKU-FQEVSTJZSA-N 1 2 403.548 4.370 50 0 HIAALO Cc1ccc(-n2ncc3c2nc[nH+]c3SCC(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000002450307 569403880 /nfs/dbraw/zinc/40/38/80/569403880.db2.gz SZIKYGSDZUMZMN-UHFFFAOYSA-N 1 2 403.511 4.472 50 0 HIAALO COc1cccc([C@@H](c2c3c(sc2NC(C)=O)CCCC3)[NH+]2CCOCC2)c1 ZINC000019879466 569433059 /nfs/dbraw/zinc/43/30/59/569433059.db2.gz UAZGMWLOJWLYGZ-NRFANRHFSA-N 1 2 400.544 4.016 50 0 HIAALO COCC[N@H+](CC(=O)N1c2ccccc2OC[C@@H]1c1ccccc1)Cc1cccs1 ZINC000040012089 571137911 /nfs/dbraw/zinc/13/79/11/571137911.db2.gz FAGXRNZDLBYSOJ-JOCHJYFZSA-N 1 2 422.550 4.363 50 0 HIAALO COCC[N@@H+](CC(=O)N1c2ccccc2OC[C@@H]1c1ccccc1)Cc1cccs1 ZINC000040012089 571137913 /nfs/dbraw/zinc/13/79/13/571137913.db2.gz FAGXRNZDLBYSOJ-JOCHJYFZSA-N 1 2 422.550 4.363 50 0 HIAALO COc1ccc(CC[N@H+](C)Cn2nc(-c3ccc(Cl)cc3)[nH]c2=S)cc1OC ZINC000069005000 571160449 /nfs/dbraw/zinc/16/04/49/571160449.db2.gz QEQZJDSZUCDUSP-UHFFFAOYSA-N 1 2 418.950 4.410 50 0 HIAALO COc1ccc(CC[N@@H+](C)Cn2nc(-c3ccc(Cl)cc3)[nH]c2=S)cc1OC ZINC000069005000 571160451 /nfs/dbraw/zinc/16/04/51/571160451.db2.gz QEQZJDSZUCDUSP-UHFFFAOYSA-N 1 2 418.950 4.410 50 0 HIAALO O=C(NCc1ccc[nH+]c1N1CCOCC1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000040098573 571162519 /nfs/dbraw/zinc/16/25/19/571162519.db2.gz KHVJQMHXZSGZCL-UHFFFAOYSA-N 1 2 415.708 4.200 50 0 HIAALO O=C(Nc1ccc2c(c1)Cc1ccccc1-2)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000040103595 571164195 /nfs/dbraw/zinc/16/41/95/571164195.db2.gz HGAVRJODKDABGF-UHFFFAOYSA-N 1 2 423.520 4.255 50 0 HIAALO Cn1cc[nH+]c1[C@@H](NC(=O)CCOc1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000040131763 571184313 /nfs/dbraw/zinc/18/43/13/571184313.db2.gz WANJXCHXHCVGMY-IBGZPJMESA-N 1 2 404.297 4.402 50 0 HIAALO Cc1cccc2c(C(=O)NC[C@@H]3C[N@H+](Cc4ccccc4)CCO3)cc(C3CC3)nc12 ZINC000040145331 571195496 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CC(=O)c1ccc(NC(=O)C[NH+]2CCC(COCc3ccc(Cl)cc3)CC2)cc1 ZINC000077191599 571312278 /nfs/dbraw/zinc/31/22/78/571312278.db2.gz GZOFRRQYWCDEMY-UHFFFAOYSA-N 1 2 414.933 4.410 50 0 HIAALO CC(C)Cc1cc(C[N@@H+]2CCC[C@@H](CCC(=O)NCc3ccc(F)c(F)c3)C2)n[nH]1 ZINC000015062032 846005443 /nfs/dbraw/zinc/00/54/43/846005443.db2.gz CLTCWPUAJLXGKF-KRWDZBQOSA-N 1 2 418.532 4.195 50 0 HIAALO CC(C)Cc1cc(C[N@H+]2CCC[C@@H](CCC(=O)NCc3ccc(F)c(F)c3)C2)n[nH]1 ZINC000015062032 846005448 /nfs/dbraw/zinc/00/54/48/846005448.db2.gz CLTCWPUAJLXGKF-KRWDZBQOSA-N 1 2 418.532 4.195 50 0 HIAALO COc1ccc(Cl)cc1NC(=O)[C@@H](C)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000033530600 848136381 /nfs/dbraw/zinc/13/63/81/848136381.db2.gz AVASCBHTYQRLBW-OTIVFRFGSA-N 1 2 413.949 4.007 50 0 HIAALO CC[C@H](CNC(=O)[C@H](C)N1CC[NH+](C/C=C\c2ccccc2)CC1)c1ccccc1 ZINC000254872227 854216068 /nfs/dbraw/zinc/21/60/68/854216068.db2.gz MBJNWKTZWUMRAL-YMAYCRAZSA-N 1 2 405.586 4.016 50 0 HIAALO Cc1cccc(Cc2c(C)[nH+]c(C)nc2N2CCN(C(=O)c3ccc(F)cc3)CC2)c1 ZINC000006776659 132315694 /nfs/dbraw/zinc/31/56/94/132315694.db2.gz BPUIAGVFLSCTML-UHFFFAOYSA-N 1 2 418.516 4.094 50 0 HIAALO CCc1[nH+]c(C)nc(N2CCN(C(=O)c3cccs3)CC2)c1Cc1cccc(C)c1 ZINC000006832996 132318284 /nfs/dbraw/zinc/31/82/84/132318284.db2.gz VJNHGCDLKOIQGC-UHFFFAOYSA-N 1 2 420.582 4.271 50 0 HIAALO CC(C)c1ccc(-c2nc(CC(=O)N3CCN(c4cccc[nH+]4)CC3)cs2)cc1 ZINC000012390048 132359438 /nfs/dbraw/zinc/35/94/38/132359438.db2.gz DAWJNCCBYRSSNX-UHFFFAOYSA-N 1 2 406.555 4.220 50 0 HIAALO Cc1cc(N2CCN(CC(=O)Nc3c(C)cccc3C(C)C)CC2)nc(C(C)C)[nH+]1 ZINC000012784090 132367172 /nfs/dbraw/zinc/36/71/72/132367172.db2.gz AHOUXRISAWWXRO-UHFFFAOYSA-N 1 2 409.578 4.101 50 0 HIAALO Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)[NH+]1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000023825039 132481887 /nfs/dbraw/zinc/48/18/87/132481887.db2.gz QWEVBZPFBGXHIC-OAHLLOKOSA-N 1 2 416.447 4.284 50 0 HIAALO CC(=O)c1cc(CCC(=O)N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)oc1C ZINC000032808740 518276158 /nfs/dbraw/zinc/27/61/58/518276158.db2.gz KMTBUGUUTYDRLY-UHFFFAOYSA-N 1 2 422.447 4.086 50 0 HIAALO COc1ccc(-c2c(C)oc3cc(OCC[NH+]4C[C@H](C)O[C@@H](C)C4)ccc3c2=O)cc1 ZINC000020591046 523078807 /nfs/dbraw/zinc/07/88/07/523078807.db2.gz ZXAGQKXAORSMBV-IRXDYDNUSA-N 1 2 423.509 4.265 50 0 HIAALO C[N@@H+](Cc1csc(COc2ccc(F)cc2)n1)C[C@@H]1COc2ccccc2O1 ZINC000032797186 523528897 /nfs/dbraw/zinc/52/88/97/523528897.db2.gz VDBKQLBWBKYXCO-GOSISDBHSA-N 1 2 400.475 4.133 50 0 HIAALO C[N@H+](Cc1csc(COc2ccc(F)cc2)n1)C[C@@H]1COc2ccccc2O1 ZINC000032797186 523528910 /nfs/dbraw/zinc/52/89/10/523528910.db2.gz VDBKQLBWBKYXCO-GOSISDBHSA-N 1 2 400.475 4.133 50 0 HIAALO COc1ccccc1[C@H](C)NC(=O)CSc1[nH+][nH]cc2c3cc(F)ccc3nc1-2 ZINC000032752923 524775859 /nfs/dbraw/zinc/77/58/59/524775859.db2.gz YZAAYJBRAZGJHV-LBPRGKRZSA-N 1 2 410.474 4.228 50 0 HIAALO Cc1ccnc(SCC(=O)Nc2ccc(CCc3[nH]c4ccccc4[nH+]3)cc2)n1 ZINC000032960681 525708664 /nfs/dbraw/zinc/70/86/64/525708664.db2.gz PZXMLVLUKRLWKH-UHFFFAOYSA-N 1 2 403.511 4.177 50 0 HIAALO Fc1ccc(-c2noc(CSc3[nH+]cnc4c3cnn4-c3ccccc3)n2)cc1 ZINC000032668378 526319433 /nfs/dbraw/zinc/31/94/33/526319433.db2.gz XDFPYFROAHQTIL-UHFFFAOYSA-N 1 2 404.430 4.297 50 0 HIAALO O=C(Cc1cn2ccccc2[nH+]1)NCc1ccc(-c2ccc(Br)cc2)o1 ZINC000032461793 527320477 /nfs/dbraw/zinc/32/04/77/527320477.db2.gz SDDQJFDGCQRRGN-UHFFFAOYSA-N 1 2 410.271 4.216 50 0 HIAALO Cn1cc[nH+]c1[C@H](NC(=O)CCC(=O)c1ccc(Cl)s1)c1ccccc1F ZINC000032905102 527463159 /nfs/dbraw/zinc/46/31/59/527463159.db2.gz FDDORJLUTABCHL-GOSISDBHSA-N 1 2 405.882 4.143 50 0 HIAALO O=C(Nc1nccs1)[C@H]1CCC[N@@H+](Cn2c3ccccc3n(C(F)F)c2=S)C1 ZINC000040149251 527527842 /nfs/dbraw/zinc/52/78/42/527527842.db2.gz FBJHZHLPIGZHTR-LBPRGKRZSA-N 1 2 423.514 4.332 50 0 HIAALO O=C(Nc1nccs1)[C@H]1CCC[N@H+](Cn2c3ccccc3n(C(F)F)c2=S)C1 ZINC000040149251 527527846 /nfs/dbraw/zinc/52/78/46/527527846.db2.gz FBJHZHLPIGZHTR-LBPRGKRZSA-N 1 2 423.514 4.332 50 0 HIAALO CCCCCCC(=O)N1CCN(c2nc(C)[nH+]c(C)c2Cc2cccc(OC)c2)CC1 ZINC000006739796 534978512 /nfs/dbraw/zinc/97/85/12/534978512.db2.gz JHVBGBXZPGHVSS-UHFFFAOYSA-N 1 2 424.589 4.312 50 0 HIAALO CCOc1ccc([C@H](C2Sc3nc(C)nn3C2=O)[N@@H+]2CCC[C@@H](C)C2)cc1OC ZINC000022626122 557080452 /nfs/dbraw/zinc/08/04/52/557080452.db2.gz ZWBQGHGHGQBBGJ-FZKQIMNGSA-N 1 2 416.547 4.033 50 0 HIAALO CCOc1ccc([C@H](C2Sc3nc(C)nn3C2=O)[N@H+]2CCC[C@@H](C)C2)cc1OC ZINC000022626122 557080456 /nfs/dbraw/zinc/08/04/56/557080456.db2.gz ZWBQGHGHGQBBGJ-FZKQIMNGSA-N 1 2 416.547 4.033 50 0 HIAALO Cc1cccc(CNC(=O)c2cccc(C[NH+]3CCN(c4ccccc4F)CC3)c2)c1 ZINC000034668422 557362078 /nfs/dbraw/zinc/36/20/78/557362078.db2.gz NWAUEYQOLQLRAM-UHFFFAOYSA-N 1 2 417.528 4.386 50 0 HIAALO O=C(COc1ccc(Cl)cc1)NC[C@@H](c1ccco1)[N@@H+]1CCc2ccccc2C1 ZINC000022906919 557852409 /nfs/dbraw/zinc/85/24/09/557852409.db2.gz VGCAUQKZDAVFKM-NRFANRHFSA-N 1 2 410.901 4.228 50 0 HIAALO O=C(COc1ccc(Cl)cc1)NC[C@@H](c1ccco1)[N@H+]1CCc2ccccc2C1 ZINC000022906919 557852411 /nfs/dbraw/zinc/85/24/11/557852411.db2.gz VGCAUQKZDAVFKM-NRFANRHFSA-N 1 2 410.901 4.228 50 0 HIAALO O=C(NC[C@H]1CCC[N@@H+](Cc2cccc(C(F)(F)F)c2)C1)c1n[nH]c2ccccc21 ZINC000011663755 558267246 /nfs/dbraw/zinc/26/72/46/558267246.db2.gz MKSSYFOBQTUJBI-MRXNPFEDSA-N 1 2 416.447 4.224 50 0 HIAALO O=C(NC[C@H]1CCC[N@H+](Cc2cccc(C(F)(F)F)c2)C1)c1n[nH]c2ccccc21 ZINC000011663755 558267250 /nfs/dbraw/zinc/26/72/50/558267250.db2.gz MKSSYFOBQTUJBI-MRXNPFEDSA-N 1 2 416.447 4.224 50 0 HIAALO [NH2+]=c1n(Cc2ccccc2Cl)c2ccccc2n1C[C@H](O)COc1ccccc1 ZINC000019809787 558286479 /nfs/dbraw/zinc/28/64/79/558286479.db2.gz DNHAJJQKSDWLIB-SFHVURJKSA-N 1 2 407.901 4.064 50 0 HIAALO Cc1cccc(S(=O)(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000020233331 558350459 /nfs/dbraw/zinc/35/04/59/558350459.db2.gz URRJUFLFWZOQAX-UHFFFAOYSA-N 1 2 406.551 4.091 50 0 HIAALO COc1cccc(C[NH+]2CCN(C(=S)Nc3ccccc3C(F)(F)F)CC2)c1 ZINC000020274246 558353363 /nfs/dbraw/zinc/35/33/63/558353363.db2.gz MMORAKJEEJEECA-UHFFFAOYSA-N 1 2 409.477 4.229 50 0 HIAALO CC(C)CNc1nc2sc3c(c2c(=O)n1-c1cccc(Cl)c1)CC[N@@H+](C)C3 ZINC000020358843 558358118 /nfs/dbraw/zinc/35/81/18/558358118.db2.gz AYWBECIWAPCVMG-UHFFFAOYSA-N 1 2 402.951 4.156 50 0 HIAALO CC(C)CNc1nc2sc3c(c2c(=O)n1-c1cccc(Cl)c1)CC[N@H+](C)C3 ZINC000020358843 558358121 /nfs/dbraw/zinc/35/81/21/558358121.db2.gz AYWBECIWAPCVMG-UHFFFAOYSA-N 1 2 402.951 4.156 50 0 HIAALO O=C(Cn1ccc2cc(Br)ccc21)Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC000020426733 558362562 /nfs/dbraw/zinc/36/25/62/558362562.db2.gz FZVWCLNEXVZVMS-UHFFFAOYSA-N 1 2 409.287 4.287 50 0 HIAALO O=C(Cn1c(-c2ccccc2)cc2ccccc21)N1CC[NH+](Cc2ccncc2)CC1 ZINC000021445794 558438582 /nfs/dbraw/zinc/43/85/82/558438582.db2.gz HNAMXYQJDNOVAN-UHFFFAOYSA-N 1 2 410.521 4.048 50 0 HIAALO Cc1nc2c(cnn2C(C)C)cc1C(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000022292347 558476860 /nfs/dbraw/zinc/47/68/60/558476860.db2.gz JVCRTZZXRSJFHQ-UHFFFAOYSA-N 1 2 412.563 4.261 50 0 HIAALO Cc1cc(Br)ccc1NC(=O)C[N@@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000012995054 558498120 /nfs/dbraw/zinc/49/81/20/558498120.db2.gz QYGLJJCHNKVKNL-INIZCTEOSA-N 1 2 423.376 4.439 50 0 HIAALO Cc1cc(Br)ccc1NC(=O)C[N@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000012995054 558498123 /nfs/dbraw/zinc/49/81/23/558498123.db2.gz QYGLJJCHNKVKNL-INIZCTEOSA-N 1 2 423.376 4.439 50 0 HIAALO COc1ccc(C[N@H+](C)CC(=O)Nc2cc(Cl)cc(Cl)c2)c(OC)c1OC ZINC000013063317 558510501 /nfs/dbraw/zinc/51/05/01/558510501.db2.gz UGBYOWLQBBXNKU-UHFFFAOYSA-N 1 2 413.301 4.090 50 0 HIAALO COc1ccc(C[N@@H+](C)CC(=O)Nc2cc(Cl)cc(Cl)c2)c(OC)c1OC ZINC000013063317 558510504 /nfs/dbraw/zinc/51/05/04/558510504.db2.gz UGBYOWLQBBXNKU-UHFFFAOYSA-N 1 2 413.301 4.090 50 0 HIAALO S=c1oc(-c2cccs2)nn1CN1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000022918128 558522279 /nfs/dbraw/zinc/52/22/79/558522279.db2.gz IICMAZBOZIVPOU-UHFFFAOYSA-N 1 2 406.964 4.363 50 0 HIAALO CCc1cccc(C)c1NC(=O)CN1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000022933933 558525496 /nfs/dbraw/zinc/52/54/96/558525496.db2.gz ACVUOLFPTJPMLJ-UHFFFAOYSA-N 1 2 419.491 4.333 50 0 HIAALO COc1ccc(C[NH+]2CCN(C(=O)c3csc(-c4ccc(C)cc4)n3)CC2)cc1 ZINC000022955498 558527621 /nfs/dbraw/zinc/52/76/21/558527621.db2.gz UMRUSTXXOPHZGY-UHFFFAOYSA-N 1 2 407.539 4.085 50 0 HIAALO O=C(c1cc(F)ccc1Br)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000023791052 558575937 /nfs/dbraw/zinc/57/59/37/558575937.db2.gz BSFATNRUIXUQJM-UHFFFAOYSA-N 1 2 411.702 4.200 50 0 HIAALO COc1ccc(-c2nc(NC(=O)c3ccc(C[NH+]4CCOCC4)cc3)sc2C)cc1 ZINC000023909181 558581443 /nfs/dbraw/zinc/58/14/43/558581443.db2.gz YUGHGWVGMKPEIZ-UHFFFAOYSA-N 1 2 423.538 4.212 50 0 HIAALO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(COc2ccccc2)cc1 ZINC000023996010 558584294 /nfs/dbraw/zinc/58/42/94/558584294.db2.gz QFOVCKGGINPTED-UHFFFAOYSA-N 1 2 402.494 4.350 50 0 HIAALO COc1cccc([C@H](NC(=O)CSc2nc3ccccc3s2)c2[nH+]ccn2C)c1 ZINC000024018138 558584711 /nfs/dbraw/zinc/58/47/11/558584711.db2.gz XGOMKIRCVXINQP-IBGZPJMESA-N 1 2 424.551 4.036 50 0 HIAALO CCc1nn2c(nc(C)cc2N2CCN(c3cccc[nH+]3)CC2)c1-c1ccc(F)cc1 ZINC000013735434 558588373 /nfs/dbraw/zinc/58/83/73/558588373.db2.gz ZJRWSEBGICJBNK-UHFFFAOYSA-N 1 2 416.504 4.128 50 0 HIAALO C[NH+](C)[C@H](CNC(=O)c1cc(=O)c2cc(Cl)ccc2o1)c1ccccc1Cl ZINC000027347237 558672233 /nfs/dbraw/zinc/67/22/33/558672233.db2.gz RKGZJAVEWXEYDF-MRXNPFEDSA-N 1 2 405.281 4.133 50 0 HIAALO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000027989346 558687835 /nfs/dbraw/zinc/68/78/35/558687835.db2.gz ORBQAPGZKLXBPF-UHFFFAOYSA-N 1 2 406.870 4.139 50 0 HIAALO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000027989346 558687836 /nfs/dbraw/zinc/68/78/36/558687836.db2.gz ORBQAPGZKLXBPF-UHFFFAOYSA-N 1 2 406.870 4.139 50 0 HIAALO Cn1cc[nH+]c1[C@@H](NC(=O)CCCSc1nc2ccccc2[nH]1)c1cccc(F)c1 ZINC000029085572 558709755 /nfs/dbraw/zinc/70/97/55/558709755.db2.gz ZPZUIWHAZGMRMW-FQEVSTJZSA-N 1 2 423.517 4.214 50 0 HIAALO C[N@@H+]1C[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)c2ccccn2)[C@@]12C(=O)Nc1ccccc12 ZINC000015970649 558764589 /nfs/dbraw/zinc/76/45/89/558764589.db2.gz AQVBOVBQDJSFJF-GQOCTPOGSA-N 1 2 417.896 4.111 50 0 HIAALO C[N@H+]1C[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)c2ccccn2)[C@@]12C(=O)Nc1ccccc12 ZINC000015970649 558764592 /nfs/dbraw/zinc/76/45/92/558764592.db2.gz AQVBOVBQDJSFJF-GQOCTPOGSA-N 1 2 417.896 4.111 50 0 HIAALO C[S@](=O)c1c(Cl)cccc1NC(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000072309782 558776630 /nfs/dbraw/zinc/77/66/30/558776630.db2.gz MGKFNDFBXSZLIF-MUUNZHRXSA-N 1 2 420.966 4.175 50 0 HIAALO COc1cc(C(=O)N[C@H](c2[nH+]ccn2C)c2ccc(Cl)cc2)ccc1OC(F)F ZINC000016262046 558781770 /nfs/dbraw/zinc/78/17/70/558781770.db2.gz VMGCETKEZAUGDM-KRWDZBQOSA-N 1 2 421.831 4.203 50 0 HIAALO COc1ccc(-c2cnc(C[N@@H+]3CCCC[C@H]3CNC(=O)OC(C)(C)C)o2)cc1 ZINC000060269103 558803913 /nfs/dbraw/zinc/80/39/13/558803913.db2.gz UEWQAZYICYFUEC-KRWDZBQOSA-N 1 2 401.507 4.229 50 0 HIAALO COc1ccc(-c2cnc(C[N@H+]3CCCC[C@H]3CNC(=O)OC(C)(C)C)o2)cc1 ZINC000060269103 558803915 /nfs/dbraw/zinc/80/39/15/558803915.db2.gz UEWQAZYICYFUEC-KRWDZBQOSA-N 1 2 401.507 4.229 50 0 HIAALO Cc1cccc(C(=O)N2CCN(c3[nH+]c4ccccc4n3Cc3ccccc3)CC2)c1 ZINC000033106707 558874426 /nfs/dbraw/zinc/87/44/26/558874426.db2.gz HGDAQFGQWFDFAO-UHFFFAOYSA-N 1 2 410.521 4.355 50 0 HIAALO COc1ccc2c(c1)c(C(=O)CN1CC[NH+](C/C=C/c3ccccc3)CC1)c(C)n2C ZINC000019372312 558879471 /nfs/dbraw/zinc/87/94/71/558879471.db2.gz FCBJVCQTMBJDKY-JXMROGBWSA-N 1 2 417.553 4.009 50 0 HIAALO O=C(NCc1ccccc1)c1ccc2cc[nH+]c(N3CCN(c4ccccc4)CC3)c2c1 ZINC000065002440 558968798 /nfs/dbraw/zinc/96/87/98/558968798.db2.gz QGEXDQUDMMSBMG-UHFFFAOYSA-N 1 2 422.532 4.491 50 0 HIAALO CC(C)CCNC(=O)c1ccc2cc[nH+]c(N3CCN(c4ccc(F)cc4)CC3)c2c1 ZINC000065002230 558968832 /nfs/dbraw/zinc/96/88/32/558968832.db2.gz MAELEWGURGIWSH-UHFFFAOYSA-N 1 2 420.532 4.476 50 0 HIAALO COc1ccc(-n2nc(NC(=O)CCn3cc[nH+]c3)c3c2cccc3OC(C)C)cc1 ZINC000072463320 558983147 /nfs/dbraw/zinc/98/31/47/558983147.db2.gz GGEJBMBAFWQQNF-UHFFFAOYSA-N 1 2 419.485 4.047 50 0 HIAALO Cc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[N@@H+](Cc2ccccc2)C3)c(C)c1 ZINC000023230597 559063946 /nfs/dbraw/zinc/06/39/46/559063946.db2.gz CQCPNIRAOMAXMV-UHFFFAOYSA-N 1 2 419.550 4.274 50 0 HIAALO Cc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[N@H+](Cc2ccccc2)C3)c(C)c1 ZINC000023230597 559063948 /nfs/dbraw/zinc/06/39/48/559063948.db2.gz CQCPNIRAOMAXMV-UHFFFAOYSA-N 1 2 419.550 4.274 50 0 HIAALO CC[C@H](C)c1nc(N2CCN(C(=O)C3CCC3)CC2)c(Cc2ccccc2F)c(C)[nH+]1 ZINC000096317073 559109795 /nfs/dbraw/zinc/10/97/95/559109795.db2.gz JECKNMAYDVTCCP-KRWDZBQOSA-N 1 2 424.564 4.477 50 0 HIAALO Fc1ccc([C@H](OCCN2CC[NH+](Cc3ccccn3)CC2)c2ccccc2)cc1F ZINC000023310015 559115191 /nfs/dbraw/zinc/11/51/91/559115191.db2.gz WVOJTRZSVCHXCG-RUZDIDTESA-N 1 2 423.507 4.284 50 0 HIAALO O=C(c1cccnc1Cl)N1CC[NH+]([C@@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000023322553 559137070 /nfs/dbraw/zinc/13/70/70/559137070.db2.gz CTXORCOVFQUJRT-NRFANRHFSA-N 1 2 409.892 4.422 50 0 HIAALO O=C(c1cccnc1Cl)N1CC[NH+]([C@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000023322556 559137743 /nfs/dbraw/zinc/13/77/43/559137743.db2.gz CTXORCOVFQUJRT-OAQYLSRUSA-N 1 2 409.892 4.422 50 0 HIAALO CC(C)n1ncc2c1nc(-c1cccs1)cc2C(=O)NCc1cn2ccccc2[nH+]1 ZINC000023754434 559180799 /nfs/dbraw/zinc/18/07/99/559180799.db2.gz GMGXCDFITHQHQW-UHFFFAOYSA-N 1 2 416.510 4.318 50 0 HIAALO O=C(NCc1ccccc1C[NH+]1CCOCC1)c1cccc(OCc2ccccc2)c1 ZINC000023873017 559181466 /nfs/dbraw/zinc/18/14/66/559181466.db2.gz XZKHZEBHEGHQGR-UHFFFAOYSA-N 1 2 416.521 4.028 50 0 HIAALO S=C(Nc1ccc(Br)cc1)N1CC[NH+](/C=C/c2ccccc2)CC1 ZINC000051313311 560855632 /nfs/dbraw/zinc/85/56/32/560855632.db2.gz NZDAWNFHLNUULN-ZHACJKMWSA-N 1 2 402.361 4.434 50 0 HIAALO O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)Nc1ccn(Cc2ccccc2)n1 ZINC000048276042 568435603 /nfs/dbraw/zinc/43/56/03/568435603.db2.gz FWDSZYZVSGZLEZ-UHFFFAOYSA-N 1 2 404.518 4.029 50 0 HIAALO Cc1ncc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)s1 ZINC000048324010 568438131 /nfs/dbraw/zinc/43/81/31/568438131.db2.gz NJAZNTPVGYHWLG-CQSZACIVSA-N 1 2 401.532 4.342 50 0 HIAALO Cc1ncc(C[N@H+](C)[C@H](C)C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)s1 ZINC000048324010 568438133 /nfs/dbraw/zinc/43/81/33/568438133.db2.gz NJAZNTPVGYHWLG-CQSZACIVSA-N 1 2 401.532 4.342 50 0 HIAALO COc1ccc2nc(C)c(C(=O)NCc3ccc(N4CCC(C)CC4)[nH+]c3)cc2c1 ZINC000048355842 568441544 /nfs/dbraw/zinc/44/15/44/568441544.db2.gz MIHMLWIPTMDYTL-UHFFFAOYSA-N 1 2 404.514 4.113 50 0 HIAALO O=C(CCCOc1ccccc1Br)Nc1cccc(Cn2cc[nH+]c2)c1 ZINC000048374722 568442432 /nfs/dbraw/zinc/44/24/32/568442432.db2.gz IYNATAKAXQIERY-UHFFFAOYSA-N 1 2 414.303 4.492 50 0 HIAALO CCOc1ccccc1NC(=O)C[NH+]1CCC(c2nnc(-c3ccc(F)cc3)o2)CC1 ZINC000049377689 568447284 /nfs/dbraw/zinc/44/72/84/568447284.db2.gz OEFNADWAEIWIDZ-UHFFFAOYSA-N 1 2 424.476 4.093 50 0 HIAALO O=C(C[NH+]1CCC(c2nc(-c3ccc(F)cc3)no2)CC1)Nc1cccc(Cl)c1 ZINC000049403416 568448371 /nfs/dbraw/zinc/44/83/71/568448371.db2.gz YCDHJUNTJXRPAU-UHFFFAOYSA-N 1 2 414.868 4.347 50 0 HIAALO O=C(NCCC(c1ccccc1)c1ccccc1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000024638562 568455176 /nfs/dbraw/zinc/45/51/76/568455176.db2.gz PYKDVWATFNTJNW-UHFFFAOYSA-N 1 2 414.553 4.131 50 0 HIAALO Cc1ccc(Cc2c(C)[nH+]c(C)nc2N2CCN(C(=O)Nc3ccccc3)CC2)cc1 ZINC000000694575 568462333 /nfs/dbraw/zinc/46/23/33/568462333.db2.gz TWVVHSJHCMYAFC-UHFFFAOYSA-N 1 2 415.541 4.347 50 0 HIAALO O=C(C[N@@H+](Cc1cccs1)C[C@H]1CCCO1)Nc1ccccc1Br ZINC000007927304 568486151 /nfs/dbraw/zinc/48/61/51/568486151.db2.gz AZNYOWOVULEHKI-CQSZACIVSA-N 1 2 409.349 4.130 50 0 HIAALO O=C(C[N@H+](Cc1cccs1)C[C@H]1CCCO1)Nc1ccccc1Br ZINC000007927304 568486152 /nfs/dbraw/zinc/48/61/52/568486152.db2.gz AZNYOWOVULEHKI-CQSZACIVSA-N 1 2 409.349 4.130 50 0 HIAALO FC(F)(F)c1cnc(N2CCN(c3[nH+]cccc3-n3cccc3)CC2)c(Cl)c1 ZINC000020366031 568601329 /nfs/dbraw/zinc/60/13/29/568601329.db2.gz ZMDPLWWQRMHWJU-UHFFFAOYSA-N 1 2 407.827 4.266 50 0 HIAALO C[N@H+](CC(=O)Nc1ccc(F)cc1Cl)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000095356868 568601569 /nfs/dbraw/zinc/60/15/69/568601569.db2.gz AOJAOLJZOIKNND-FUHWJXTLSA-N 1 2 417.695 4.315 50 0 HIAALO C[N@@H+](CC(=O)Nc1ccc(F)cc1Cl)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000095356868 568601571 /nfs/dbraw/zinc/60/15/71/568601571.db2.gz AOJAOLJZOIKNND-FUHWJXTLSA-N 1 2 417.695 4.315 50 0 HIAALO Clc1ccc(NCc2ccc(Oc3cnccn3)cc2)cc1C[NH+]1CCOCC1 ZINC000225480724 568641604 /nfs/dbraw/zinc/64/16/04/568641604.db2.gz GOMPKTYJUZUBGI-UHFFFAOYSA-N 1 2 410.905 4.367 50 0 HIAALO Cc1ccc2[nH]c([C@H]3CCCN(c4ccc(S(=O)(=O)C(F)F)cc4)C3)[nH+]c2c1 ZINC000096006340 568682675 /nfs/dbraw/zinc/68/26/75/568682675.db2.gz HOFBMQDFIHKFKG-AWEZNQCLSA-N 1 2 405.470 4.252 50 0 HIAALO O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CCC[C@@H](c2nnc(-c3ccsc3)o2)C1 ZINC000096119029 568698658 /nfs/dbraw/zinc/69/86/58/568698658.db2.gz RYFUWODNKNDNAA-GOSISDBHSA-N 1 2 419.510 4.063 50 0 HIAALO CC[N@H+](CCCNC(=O)COCc1cc(-c2cccs2)on1)c1cccc(C)c1 ZINC000021528135 568709912 /nfs/dbraw/zinc/70/99/12/568709912.db2.gz MPLAYZCMIAEWRU-UHFFFAOYSA-N 1 2 413.543 4.261 50 0 HIAALO CC[N@@H+](CCCNC(=O)COCc1cc(-c2cccs2)on1)c1cccc(C)c1 ZINC000021528135 568709914 /nfs/dbraw/zinc/70/99/14/568709914.db2.gz MPLAYZCMIAEWRU-UHFFFAOYSA-N 1 2 413.543 4.261 50 0 HIAALO CC[C@H](C)c1nc(N2CCN(C(=O)N(C)C)CC2)c(Cc2cc(C)ccc2C)c(C)[nH+]1 ZINC000096316975 568725995 /nfs/dbraw/zinc/72/59/95/568725995.db2.gz BYRKINDPLINFEQ-SFHVURJKSA-N 1 2 423.605 4.310 50 0 HIAALO Cc1cccc(Cc2c(C)[nH+]c(C3CC3)nc2N2CCN(C(=O)CC(C)C)CC2)c1 ZINC000096317270 568726573 /nfs/dbraw/zinc/72/65/73/568726573.db2.gz DEVLLJWBDYTCFQ-UHFFFAOYSA-N 1 2 406.574 4.256 50 0 HIAALO COCc1ccc(C[NH2+]Cc2c(Br)cncc2Br)cc1 ZINC000241588330 568731587 /nfs/dbraw/zinc/73/15/87/568731587.db2.gz PBZSXMUZEJYZMY-UHFFFAOYSA-N 1 2 400.114 4.043 50 0 HIAALO O=C(c1cc2occc2c(Nc2ccc(F)cc2)n1)N1CCN(c2cccc[nH+]2)CC1 ZINC000096323669 568732752 /nfs/dbraw/zinc/73/27/52/568732752.db2.gz KHRBMNQZLSLCPC-UHFFFAOYSA-N 1 2 417.444 4.068 50 0 HIAALO Cc1nc(Nc2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc2)cc(N(C)C)[nH+]1 ZINC000021794800 568753403 /nfs/dbraw/zinc/75/34/03/568753403.db2.gz WNIUJDBQEREIDD-UHFFFAOYSA-N 1 2 417.922 4.049 50 0 HIAALO Cc1nc(Nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cc(N2CCOCC2)[nH+]1 ZINC000021794495 568753538 /nfs/dbraw/zinc/75/35/38/568753538.db2.gz IXQXZSGGDCLUGC-UHFFFAOYSA-N 1 2 423.904 4.271 50 0 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CCc1[nH+]c(C)nc(N2CCN(C(=O)C3CCC3)CC2)c1Cc1ccc(Cl)cc1 ZINC000035769170 569057986 /nfs/dbraw/zinc/05/79/86/569057986.db2.gz WXDUFVIUTVKYOA-UHFFFAOYSA-N 1 2 412.965 4.040 50 0 HIAALO CCOc1ccc([C@@H](C2Sc3nc(CC)nn3C2=O)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000016690057 569070612 /nfs/dbraw/zinc/07/06/12/569070612.db2.gz HQCYILUISPEGKZ-KDOFPFPSSA-N 1 2 400.548 4.279 50 0 HIAALO CCOc1ccc([C@@H](C2Sc3nc(CC)nn3C2=O)[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000016690057 569070613 /nfs/dbraw/zinc/07/06/13/569070613.db2.gz HQCYILUISPEGKZ-KDOFPFPSSA-N 1 2 400.548 4.279 50 0 HIAALO Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)N[C@@H](C)c3cccs3)csc2C1 ZINC000426486168 569073170 /nfs/dbraw/zinc/07/31/70/569073170.db2.gz YJTBUZXZOSAEAP-ZDUSSCGKSA-N 1 2 401.557 4.464 50 0 HIAALO Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)N[C@@H](C)c3cccs3)csc2C1 ZINC000426486168 569073171 /nfs/dbraw/zinc/07/31/71/569073171.db2.gz YJTBUZXZOSAEAP-ZDUSSCGKSA-N 1 2 401.557 4.464 50 0 HIAALO O=C(c1cccc(F)c1)N(Cc1[nH+]ccn1Cc1ccc(F)cc1)C[C@H]1CCCO1 ZINC000006689418 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C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)NCC1CCC(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000038671664 571060546 /nfs/dbraw/zinc/06/05/46/571060546.db2.gz XRUANUHFTXMMAE-KHOZGPNMSA-N 1 2 405.498 4.181 50 0 HIAALO Cc1ccc(-c2nc(S(=O)(=O)c3ccccc3)c(NCCCn3cc[nH+]c3)o2)cc1 ZINC000008844603 571125236 /nfs/dbraw/zinc/12/52/36/571125236.db2.gz POVHTLMLILJTSO-UHFFFAOYSA-N 1 2 422.510 4.182 50 0 HIAALO COc1cccc([C@@H](NC(=O)NCCc2ccc(C(C)C)cc2)c2[nH+]ccn2C)c1 ZINC000040071225 571151746 /nfs/dbraw/zinc/15/17/46/571151746.db2.gz ZNOYIDDUSMOLAL-JOCHJYFZSA-N 1 2 406.530 4.183 50 0 HIAALO COc1ccc(Br)cc1C[N@H+](C)CC(=O)N1CCC[C@@H]1c1cccs1 ZINC000008940097 571166709 /nfs/dbraw/zinc/16/67/09/571166709.db2.gz TYTDCNPKARWMIA-MRXNPFEDSA-N 1 2 423.376 4.315 50 0 HIAALO COc1ccc(Br)cc1C[N@@H+](C)CC(=O)N1CCC[C@@H]1c1cccs1 ZINC000008940097 571166712 /nfs/dbraw/zinc/16/67/12/571166712.db2.gz TYTDCNPKARWMIA-MRXNPFEDSA-N 1 2 423.376 4.315 50 0 HIAALO O=C(NCc1ccc(N2CCCC[C@@H]2CCO)[nH+]c1)Nc1ccc(Cl)c(Cl)c1 ZINC000040150061 571198497 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HIAALO O=C(CSc1[nH+][nH]cc2c3cc(F)ccc3nc1-2)NC12CC3CC(CC(C3)C1)C2 ZINC000032752885 527091831 /nfs/dbraw/zinc/09/18/31/527091831.db2.gz ZBJPVYQHJJXSJX-UHFFFAOYSA-N 1 2 410.518 4.427 50 0 HIAALO O=C(Nc1cccc(OCc2ccc(F)cc2)c1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000040104852 527368104 /nfs/dbraw/zinc/36/81/04/527368104.db2.gz JINRBOJKQTVJJB-UHFFFAOYSA-N 1 2 420.488 4.149 50 0 HIAALO CCc1ccc2ncc(S(=O)(=O)c3ccc(C)cc3)c(N3CC[NH+](CC)CC3)c2c1 ZINC000005931550 535831405 /nfs/dbraw/zinc/83/14/05/535831405.db2.gz UKNHROQIFWTCER-UHFFFAOYSA-N 1 2 423.582 4.080 50 0 HIAALO O=C(NCc1ccccc1)c1cccc(C[NH+]2CCN(c3ccccc3F)CC2)c1 ZINC000034668404 557362034 /nfs/dbraw/zinc/36/20/34/557362034.db2.gz XXVKTWFUOJVDPC-UHFFFAOYSA-N 1 2 403.501 4.078 50 0 HIAALO O=C(c1ccc(F)cc1)N(C[C@@H]1C[N@H+](Cc2ccc(F)cc2)CCO1)C1CCCC1 ZINC000034691949 557372521 /nfs/dbraw/zinc/37/25/21/557372521.db2.gz WQRIZGBKVUICEV-QHCPKHFHSA-N 1 2 414.496 4.251 50 0 HIAALO O=C(c1ccc(F)cc1)N(C[C@@H]1C[N@@H+](Cc2ccc(F)cc2)CCO1)C1CCCC1 ZINC000034691949 557372526 /nfs/dbraw/zinc/37/25/26/557372526.db2.gz WQRIZGBKVUICEV-QHCPKHFHSA-N 1 2 414.496 4.251 50 0 HIAALO CCOC(=O)c1ccc(NC(=S)N2CCC([NH2+]c3ccc(OC)cc3)CC2)cc1 ZINC000004709280 557585691 /nfs/dbraw/zinc/58/56/91/557585691.db2.gz PSINFDKEZMRELH-UHFFFAOYSA-N 1 2 413.543 4.145 50 0 HIAALO O=C(C[NH+]1CCCCC1)Nc1ccc(Br)cc1C(=O)c1ccccc1 ZINC000004858223 557607154 /nfs/dbraw/zinc/60/71/54/557607154.db2.gz VOUDHOFXLKBPIY-UHFFFAOYSA-N 1 2 401.304 4.105 50 0 HIAALO C[NH+](C)CCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@H]1c1ccc(F)cc1 ZINC000002890330 557770233 /nfs/dbraw/zinc/77/02/33/557770233.db2.gz WABSAQLJPRHBPM-LJQANCHMSA-N 1 2 414.864 4.082 50 0 HIAALO COc1ccc(NC(=O)[C@H]([NH2+]Cc2cn3ccccc3n2)c2ccccc2)cc1Cl ZINC000008746308 557805261 /nfs/dbraw/zinc/80/52/61/557805261.db2.gz OLLOLIIYSKZSTK-JOCHJYFZSA-N 1 2 420.900 4.466 50 0 HIAALO NC(=O)[C@@H](c1ccccc1)N1CC[NH+]([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000097527633 557816822 /nfs/dbraw/zinc/81/68/22/557816822.db2.gz VSIWMBNGRXAYHT-DNQXCXABSA-N 1 2 419.956 4.274 50 0 HIAALO O=C(c1ccccc1)[C@@H](c1ccccc1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000019808211 558286061 /nfs/dbraw/zinc/28/60/61/558286061.db2.gz QISWCKXBCJZQKR-RUZDIDTESA-N 1 2 414.505 4.157 50 0 HIAALO O=C(c1ccccc1)[C@@H](c1ccccc1)[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000019808211 558286063 /nfs/dbraw/zinc/28/60/63/558286063.db2.gz QISWCKXBCJZQKR-RUZDIDTESA-N 1 2 414.505 4.157 50 0 HIAALO CC[N@@H+]1CCc2nc3sc(C(=O)Nc4nc5ccccc5s4)c(N)c3cc2C1 ZINC000019853491 558296183 /nfs/dbraw/zinc/29/61/83/558296183.db2.gz UWHXAFHLSUBVEJ-UHFFFAOYSA-N 1 2 409.540 4.119 50 0 HIAALO CC[N@H+]1CCc2nc3sc(C(=O)Nc4nc5ccccc5s4)c(N)c3cc2C1 ZINC000019853491 558296187 /nfs/dbraw/zinc/29/61/87/558296187.db2.gz UWHXAFHLSUBVEJ-UHFFFAOYSA-N 1 2 409.540 4.119 50 0 HIAALO CSc1nc2sc3c(c2c2nnc(SCc4ccccc4)n21)CC[N@@H+](C)C3 ZINC000020057619 558328944 /nfs/dbraw/zinc/32/89/44/558328944.db2.gz VNKABFFKAVNHJJ-UHFFFAOYSA-N 1 2 413.597 4.341 50 0 HIAALO CSc1nc2sc3c(c2c2nnc(SCc4ccccc4)n21)CC[N@H+](C)C3 ZINC000020057619 558328947 /nfs/dbraw/zinc/32/89/47/558328947.db2.gz VNKABFFKAVNHJJ-UHFFFAOYSA-N 1 2 413.597 4.341 50 0 HIAALO O=C(c1ccc(C(F)(F)F)cc1)N1CCN(c2cc(C(F)(F)F)cc[nH+]2)CC1 ZINC000020223875 558349417 /nfs/dbraw/zinc/34/94/17/558349417.db2.gz YJNXUUBMOYZSOH-UHFFFAOYSA-N 1 2 403.326 4.082 50 0 HIAALO O=C(Nc1cccc(Cl)c1)N(CC[NH+]1CCOCC1)Cc1cccc(Cl)c1 ZINC000020390929 558359084 /nfs/dbraw/zinc/35/90/84/558359084.db2.gz RMOYDWFXHRZZOY-UHFFFAOYSA-N 1 2 408.329 4.360 50 0 HIAALO Cc1ccsc1C(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Sc3nncn3C)o2)C1 ZINC000012304367 558373531 /nfs/dbraw/zinc/37/35/31/558373531.db2.gz FUQQCZSMCJEICZ-CQSZACIVSA-N 1 2 402.545 4.024 50 0 HIAALO Cc1ccsc1C(=O)[C@@H]1CCC[N@H+](Cc2ccc(Sc3nncn3C)o2)C1 ZINC000012304367 558373535 /nfs/dbraw/zinc/37/35/35/558373535.db2.gz FUQQCZSMCJEICZ-CQSZACIVSA-N 1 2 402.545 4.024 50 0 HIAALO CCc1[nH+]c2ccccc2n1CCC(=O)N1CCC[C@@](CO)(Cc2ccccc2C)C1 ZINC000012306305 558375324 /nfs/dbraw/zinc/37/53/24/558375324.db2.gz ZISJBIXCLQTLJH-AREMUKBSSA-N 1 2 419.569 4.141 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ZINC000003405853 560594161 /nfs/dbraw/zinc/59/41/61/560594161.db2.gz DIZXASLEXSDXGO-UHFFFAOYSA-N 1 2 416.827 4.447 50 0 HIAALO Cc1nn(-c2ccccc2C)c2sc(C(=O)N3CCN(c4cccc[nH+]4)CC3)cc12 ZINC000101123777 560788153 /nfs/dbraw/zinc/78/81/53/560788153.db2.gz JEZQFBINNDXQHP-UHFFFAOYSA-N 1 2 417.538 4.061 50 0 HIAALO C[N@@H+]1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)[C@@H](c2ccccc2)C1 ZINC000013128849 560884843 /nfs/dbraw/zinc/88/48/43/560884843.db2.gz IFKMXSISMYVVDW-MRXNPFEDSA-N 1 2 418.868 4.036 50 0 HIAALO C[N@H+]1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)[C@@H](c2ccccc2)C1 ZINC000013128849 560884845 /nfs/dbraw/zinc/88/48/45/560884845.db2.gz IFKMXSISMYVVDW-MRXNPFEDSA-N 1 2 418.868 4.036 50 0 HIAALO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)c(C)n1Cc1ccco1 ZINC000107544220 560896598 /nfs/dbraw/zinc/89/65/98/560896598.db2.gz KTBDRTODRCYGDO-YADHBBJMSA-N 1 2 413.468 4.200 50 0 HIAALO Cc1cc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)c(C)n1Cc1ccco1 ZINC000107544220 560896599 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1 2 401.894 4.225 50 0 HIAALO O=C(C[N@@H+](Cc1cccs1)C[C@H]1CCCO1)Nc1ccc(Br)cc1 ZINC000007927152 568486134 /nfs/dbraw/zinc/48/61/34/568486134.db2.gz XTLJCPBYAFMZKF-MRXNPFEDSA-N 1 2 409.349 4.130 50 0 HIAALO O=C(C[N@H+](Cc1cccs1)C[C@H]1CCCO1)Nc1ccc(Br)cc1 ZINC000007927152 568486135 /nfs/dbraw/zinc/48/61/35/568486135.db2.gz XTLJCPBYAFMZKF-MRXNPFEDSA-N 1 2 409.349 4.130 50 0 HIAALO COc1ccc2c(CC(=O)N[C@H](c3[nH+]ccn3C)c3ccc(Cl)cc3)coc2c1 ZINC000008156678 568491825 /nfs/dbraw/zinc/49/18/25/568491825.db2.gz LVDJYWLPVQVGBL-NRFANRHFSA-N 1 2 409.873 4.277 50 0 HIAALO O=C(C[N@@H+]1CCc2sccc2[C@H]1c1ccccc1)NC(=O)Nc1ccccc1F ZINC000008325640 568498002 /nfs/dbraw/zinc/49/80/02/568498002.db2.gz OWWFUBIMLBURNX-OAQYLSRUSA-N 1 2 409.486 4.183 50 0 HIAALO O=C(C[N@H+]1CCc2sccc2[C@H]1c1ccccc1)NC(=O)Nc1ccccc1F ZINC000008325640 568498004 /nfs/dbraw/zinc/49/80/04/568498004.db2.gz OWWFUBIMLBURNX-OAQYLSRUSA-N 1 2 409.486 4.183 50 0 HIAALO CCCOc1ccc(CNC(=O)C2CCN(c3ccc(-n4cccc4)c[nH+]3)CC2)cc1 ZINC000033106229 568511479 /nfs/dbraw/zinc/51/14/79/568511479.db2.gz ACHOGSGTWMACOG-UHFFFAOYSA-N 1 2 418.541 4.194 50 0 HIAALO CCN(CC)c1cc(Nc2ccc(NS(=O)(=O)c3ccccc3)cc2)nc(C)[nH+]1 ZINC000033324501 568513936 /nfs/dbraw/zinc/51/39/36/568513936.db2.gz XGULSPDFJPDSSQ-UHFFFAOYSA-N 1 2 411.531 4.176 50 0 HIAALO O=C(CN1CC[NH+](C/C=C/c2ccccc2)CC1)Nc1cccc(Cl)c1Cl ZINC000019913012 568585668 /nfs/dbraw/zinc/58/56/68/568585668.db2.gz HHQZFNBFYPRCGF-VMPITWQZSA-N 1 2 404.341 4.263 50 0 HIAALO C[NH+]1CCN(C(=O)c2sc3cc(C(F)(F)F)cnc3c2-c2cccs2)CC1 ZINC000020218561 568594786 /nfs/dbraw/zinc/59/47/86/568594786.db2.gz PQZCJIUUBQTJLG-UHFFFAOYSA-N 1 2 411.474 4.431 50 0 HIAALO O=C(c1c[nH+]c2ccc(Cl)cc2c1NCCCc1ccccc1)N1CCOCC1 ZINC000095471172 568626406 /nfs/dbraw/zinc/62/64/06/568626406.db2.gz PURUVYUBDFVILZ-UHFFFAOYSA-N 1 2 409.917 4.405 50 0 HIAALO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)N[C@@H](C)c3cccc(NC(C)=O)c3)c2C1 ZINC000095948630 568665677 /nfs/dbraw/zinc/66/56/77/568665677.db2.gz YZBWODPOZBSACR-INIZCTEOSA-N 1 2 416.525 4.062 50 0 HIAALO CC[N@H+]1CCc2nc3ccccc3c(C(=O)N[C@@H](C)c3cccc(NC(C)=O)c3)c2C1 ZINC000095948630 568665680 /nfs/dbraw/zinc/66/56/80/568665680.db2.gz YZBWODPOZBSACR-INIZCTEOSA-N 1 2 416.525 4.062 50 0 HIAALO O=C(C1CCN(c2[nH+]c3ccccc3n2Cc2ccccc2F)CC1)N1CCCC1 ZINC000021158754 568674132 /nfs/dbraw/zinc/67/41/32/568674132.db2.gz BGEKBRJVRYQYKQ-UHFFFAOYSA-N 1 2 406.505 4.063 50 0 HIAALO O=C(Nc1cnn(-c2ccccc2)c1C(F)(F)F)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000096013012 568685113 /nfs/dbraw/zinc/68/51/13/568685113.db2.gz HXCGWCLOPFKEQI-HNNXBMFYSA-N 1 2 404.396 4.373 50 0 HIAALO CC(C)n1c(CCCCCNC(=O)c2ccc3c(c2)NC(=O)CO3)[nH+]c2ccccc21 ZINC000096231915 568707456 /nfs/dbraw/zinc/70/74/56/568707456.db2.gz WNHQLYMRJJSTMJ-UHFFFAOYSA-N 1 2 420.513 4.091 50 0 HIAALO CCc1cccc2c([C@H](CC(=O)NCC[NH+]3CCOCC3)C3CCCCC3)c[nH]c21 ZINC000096278911 568717001 /nfs/dbraw/zinc/71/70/01/568717001.db2.gz LLONZZITRPOPDP-JOCHJYFZSA-N 1 2 411.590 4.233 50 0 HIAALO Cc1ccc(Cc2c(C)[nH+]c(C3CC3)nc2N2CCN(C(=O)C3CCC3)CC2)cc1 ZINC000096317173 568726244 /nfs/dbraw/zinc/72/62/44/568726244.db2.gz RTRQHVVNBPKSPV-UHFFFAOYSA-N 1 2 404.558 4.010 50 0 HIAALO CC[C@H](C)c1nc(N2CCN(C(C)=O)CC2)c(Cc2c(F)cccc2Cl)c(C)[nH+]1 ZINC000096317371 568726529 /nfs/dbraw/zinc/72/65/29/568726529.db2.gz LRIDQKJVFRUCSS-AWEZNQCLSA-N 1 2 418.944 4.350 50 0 HIAALO Cc1ccc(Cc2c(C)[nH+]c(CC(C)C)nc2N2CCN(C(=O)C(C)C)CC2)cc1 ZINC000096317315 568726678 /nfs/dbraw/zinc/72/66/78/568726678.db2.gz QRZNYFQMQLGCQA-UHFFFAOYSA-N 1 2 408.590 4.187 50 0 HIAALO CC[C@H](C)c1nc(N2CCN(C(=O)C3CC3)CC2)c(Cc2cccc(C)c2)c(C)[nH+]1 ZINC000096317477 568726956 /nfs/dbraw/zinc/72/69/56/568726956.db2.gz MIJROKSLNVJJIL-SFHVURJKSA-N 1 2 406.574 4.256 50 0 HIAALO Cc1onc(-c2ccccc2)c1-c1nnc(C[NH+]2CCN(c3ccccc3)CC2)o1 ZINC000057378813 568830173 /nfs/dbraw/zinc/83/01/73/568830173.db2.gz VXGISBXJGCYLLF-UHFFFAOYSA-N 1 2 401.470 4.022 50 0 HIAALO COc1cc(OC)cc([C@@H](NC(=O)Nc2cccc(Cl)c2)c2[nH+]ccn2C)c1 ZINC000012507350 568839670 /nfs/dbraw/zinc/83/96/70/568839670.db2.gz BIODLLHCYAVICA-GOSISDBHSA-N 1 2 400.866 4.002 50 0 HIAALO c1ccc(-n2c(C[NH+]3CCCCC3)nnc2SC[C@H]2COc3ccccc3O2)cc1 ZINC000012512502 568840328 /nfs/dbraw/zinc/84/03/28/568840328.db2.gz YCQRQQJTVOPSFG-LJQANCHMSA-N 1 2 422.554 4.185 50 0 HIAALO c1csc([C@H](CNc2nn3cc(-c4ccccc4)nc3s2)[NH+]2CCOCC2)c1 ZINC000012525193 568842457 /nfs/dbraw/zinc/84/24/57/568842457.db2.gz ZLNMUIMWKJUPMC-KRWDZBQOSA-N 1 2 411.556 4.005 50 0 HIAALO CCc1[nH+]c(SCC(=O)N(C)Cc2ccco2)nc(N)c1-c1ccc(Cl)cc1 ZINC000012546093 568850457 /nfs/dbraw/zinc/85/04/57/568850457.db2.gz CMWZYBXKSYGOPC-UHFFFAOYSA-N 1 2 416.934 4.285 50 0 HIAALO COc1ccc([C@H](NC(=O)Cc2ccc(Cl)c(Cl)c2)c2[nH+]ccn2C)cc1 ZINC000012550937 568852936 /nfs/dbraw/zinc/85/29/36/568852936.db2.gz BBCVKNYDUWXUQY-IBGZPJMESA-N 1 2 404.297 4.184 50 0 HIAALO C[C@@H](C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000012684607 568908229 /nfs/dbraw/zinc/90/82/29/568908229.db2.gz IJKNVGLPKQGGDS-BBWFWOEESA-N 1 2 409.555 4.323 50 0 HIAALO C[C@@H](C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000012684607 568908230 /nfs/dbraw/zinc/90/82/30/568908230.db2.gz IJKNVGLPKQGGDS-BBWFWOEESA-N 1 2 409.555 4.323 50 0 HIAALO CCCOc1ccc(C[NH2+][C@@H]2CNC(=O)c3cc(-c4ccc(Cl)cc4)nn32)cc1 ZINC000263617534 568911491 /nfs/dbraw/zinc/91/14/91/568911491.db2.gz OGVLSLNQPZWVIM-NRFANRHFSA-N 1 2 410.905 4.024 50 0 HIAALO Cc1cc(C(=O)C[NH+]2CCC(C(=O)c3ccccc3)CC2)c(C)n1C[C@@H]1CCCO1 ZINC000084079631 568935976 /nfs/dbraw/zinc/93/59/76/568935976.db2.gz GOBLCITUDHSUEF-QFIPXVFZSA-N 1 2 408.542 4.062 50 0 HIAALO Cc1sc(NC(=O)c2ccc(C[NH+]3CCOCC3)cc2)nc1-c1ccc(F)cc1 ZINC000012754982 568942665 /nfs/dbraw/zinc/94/26/65/568942665.db2.gz UESPUUBFUXXKAX-UHFFFAOYSA-N 1 2 411.502 4.342 50 0 HIAALO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)c2cn(-c3ccccc3)nc2C(C)(C)C)CC1 ZINC000084661112 568954966 /nfs/dbraw/zinc/95/49/66/568954966.db2.gz OCAOEONKWHQVRO-LJQANCHMSA-N 1 2 417.557 4.084 50 0 HIAALO C[C@@H](C(=O)Nc1ccc(F)cc1Cl)[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000012780682 568957761 /nfs/dbraw/zinc/95/77/61/568957761.db2.gz CLEVLVZAVOXSMW-AWEZNQCLSA-N 1 2 403.885 4.157 50 0 HIAALO Cc1nn(-c2ccccc2)c(C)c1CCC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000008012774 568968302 /nfs/dbraw/zinc/96/83/02/568968302.db2.gz VJDRBOJNRFMZRL-SFHVURJKSA-N 1 2 413.525 4.485 50 0 HIAALO COC(=O)C1CC[NH+](CC(=O)Nc2ccccc2Sc2ccc(Cl)cc2)CC1 ZINC000006052338 568988352 /nfs/dbraw/zinc/98/83/52/568988352.db2.gz XDEMIZONXHDVPM-UHFFFAOYSA-N 1 2 418.946 4.315 50 0 HIAALO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2[nH+]cnc3c2cnn3-c2ccccc2)c1C ZINC000008324347 568990972 /nfs/dbraw/zinc/99/09/72/568990972.db2.gz REAOKFJOUSBJRO-OAHLLOKOSA-N 1 2 419.510 4.327 50 0 HIAALO COc1ccc(S(=O)(=O)Nc2ccc(-c3cn4cccc(C)c4[nH+]3)cc2)cc1OC ZINC000006093583 569001096 /nfs/dbraw/zinc/00/10/96/569001096.db2.gz GTZAWOYQWXFTEX-UHFFFAOYSA-N 1 2 423.494 4.128 50 0 HIAALO C[C@H](C(=O)NC1CCCCC1)[N@H+](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000012915320 569022458 /nfs/dbraw/zinc/02/24/58/569022458.db2.gz HOFNKPYHXGNQST-GFCCVEGCSA-N 1 2 419.875 4.067 50 0 HIAALO C[C@H](C(=O)NC1CCCCC1)[N@@H+](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000012915320 569022459 /nfs/dbraw/zinc/02/24/59/569022459.db2.gz HOFNKPYHXGNQST-GFCCVEGCSA-N 1 2 419.875 4.067 50 0 HIAALO O=C(c1ccc(Cl)cc1Cl)[C@@H]1[C@@H]2C(=O)NC(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000015989432 569025364 /nfs/dbraw/zinc/02/53/64/569025364.db2.gz YJWRXRFXIWIHSC-MLHJIOFPSA-N 1 2 413.260 4.315 50 0 HIAALO O=C(c1ccc(Cl)cc1Cl)[C@@H]1[C@@H]2C(=O)NC(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000015989432 569025365 /nfs/dbraw/zinc/02/53/65/569025365.db2.gz YJWRXRFXIWIHSC-MLHJIOFPSA-N 1 2 413.260 4.315 50 0 HIAALO C[N@@H+]1C[C@H](c2ccc(Cl)cc2)[C@H](C(=O)c2ccccn2)[C@@]12C(=O)Nc1ccccc12 ZINC000035393501 569034665 /nfs/dbraw/zinc/03/46/65/569034665.db2.gz AQVBOVBQDJSFJF-JKHABCDFSA-N 1 2 417.896 4.111 50 0 HIAALO C[N@H+]1C[C@H](c2ccc(Cl)cc2)[C@H](C(=O)c2ccccn2)[C@@]12C(=O)Nc1ccccc12 ZINC000035393501 569034666 /nfs/dbraw/zinc/03/46/66/569034666.db2.gz AQVBOVBQDJSFJF-JKHABCDFSA-N 1 2 417.896 4.111 50 0 HIAALO Cn1cccc1[C@@H]1CCC[N@@H+]1CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1 ZINC000013000751 569049430 /nfs/dbraw/zinc/04/94/30/569049430.db2.gz CTKCZVLBXRKKQP-FQEVSTJZSA-N 1 2 405.546 4.284 50 0 HIAALO Cn1cccc1[C@@H]1CCC[N@H+]1CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1 ZINC000013000751 569049431 /nfs/dbraw/zinc/04/94/31/569049431.db2.gz CTKCZVLBXRKKQP-FQEVSTJZSA-N 1 2 405.546 4.284 50 0 HIAALO CCc1ccc(-c2csc(NC(=O)c3ccc(C[NH+]4CCOCC4)cc3)n2)cc1 ZINC000089286447 569057320 /nfs/dbraw/zinc/05/73/20/569057320.db2.gz BVXZMIFAKBVDSQ-UHFFFAOYSA-N 1 2 407.539 4.457 50 0 HIAALO O=C(COc1ccc(-c2ccccc2)cc1Cl)N1CCN(c2cccc[nH+]2)CC1 ZINC000016638492 569061269 /nfs/dbraw/zinc/06/12/69/569061269.db2.gz DNYDVOFPJFEGSA-UHFFFAOYSA-N 1 2 407.901 4.130 50 0 HIAALO Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000089520880 569063500 /nfs/dbraw/zinc/06/35/00/569063500.db2.gz TZLCBDDMTFNJBK-UHFFFAOYSA-N 1 2 421.520 4.334 50 0 HIAALO COc1c(C)c[nH+]c(CN(C)C(=O)[C@H]2C[C@H]2c2cccc(Br)c2)c1C ZINC000064498040 569064631 /nfs/dbraw/zinc/06/46/31/569064631.db2.gz MKPIHBZEAPBRMU-IRXDYDNUSA-N 1 2 403.320 4.232 50 0 HIAALO CCOc1ccc(C[N@H+](Cc2nc(C(=O)NCc3cccnc3)co2)[C@@H](C)CC)cc1 ZINC000036063837 569085576 /nfs/dbraw/zinc/08/55/76/569085576.db2.gz HTKROJKPEIOAKU-SFHVURJKSA-N 1 2 422.529 4.199 50 0 HIAALO CCOc1ccc(C[N@@H+](Cc2nc(C(=O)NCc3cccnc3)co2)[C@@H](C)CC)cc1 ZINC000036063837 569085577 /nfs/dbraw/zinc/08/55/77/569085577.db2.gz HTKROJKPEIOAKU-SFHVURJKSA-N 1 2 422.529 4.199 50 0 HIAALO COc1ccc(NC(=O)C[N@@H+]2CCc3sccc3[C@H]2c2cccs2)cc1OC ZINC000036398721 569171704 /nfs/dbraw/zinc/17/17/04/569171704.db2.gz JDMUHHAOKDDFOZ-NRFANRHFSA-N 1 2 414.552 4.413 50 0 HIAALO COc1ccc(NC(=O)C[N@H+]2CCc3sccc3[C@H]2c2cccs2)cc1OC ZINC000036398721 569171705 /nfs/dbraw/zinc/17/17/05/569171705.db2.gz JDMUHHAOKDDFOZ-NRFANRHFSA-N 1 2 414.552 4.413 50 0 HIAALO CCCNc1cc(N2CCC[C@@H](CCC(=O)Nc3cc(C)ccc3OC)C2)nc[nH+]1 ZINC000065242415 569204689 /nfs/dbraw/zinc/20/46/89/569204689.db2.gz HYSYUPBBOYMTHE-SFHVURJKSA-N 1 2 411.550 4.251 50 0 HIAALO CCCNc1cc(N2CCC[C@@H](CCC(=O)Nc3cc(C)ccc3OC)C2)[nH+]cn1 ZINC000065242415 569204691 /nfs/dbraw/zinc/20/46/91/569204691.db2.gz HYSYUPBBOYMTHE-SFHVURJKSA-N 1 2 411.550 4.251 50 0 HIAALO CCOc1ccc(NC(=O)CC[C@H]2CCCN(c3cc(NC4CC4)[nH+]cn3)C2)cc1 ZINC000065245263 569205110 /nfs/dbraw/zinc/20/51/10/569205110.db2.gz HVDYGXWVKJDITJ-QGZVFWFLSA-N 1 2 409.534 4.085 50 0 HIAALO CCOc1ccc(NC(=O)CC[C@H]2CCCN(c3cc(NC4CC4)nc[nH+]3)C2)cc1 ZINC000065245263 569205111 /nfs/dbraw/zinc/20/51/11/569205111.db2.gz HVDYGXWVKJDITJ-QGZVFWFLSA-N 1 2 409.534 4.085 50 0 HIAALO C[C@H](NC(=O)CCc1ncc(-c2ccc(F)cc2)o1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000014081068 569258522 /nfs/dbraw/zinc/25/85/22/569258522.db2.gz XHRLWFXGRBBVOW-INIZCTEOSA-N 1 2 404.445 4.476 50 0 HIAALO CC(=O)c1ccccc1NC(=O)C[N@H+](Cc1ccc(N2CCC[C@@H]2C)nc1)C(C)C ZINC000089929870 569268932 /nfs/dbraw/zinc/26/89/32/569268932.db2.gz XHSFVLGWOWLKGG-SFHVURJKSA-N 1 2 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HIAALO Cc1nn(-c2ccccc2)c(C)c1[C@@H]1C(=O)NCC[N@H+]1Cc1cccc2ccccc21 ZINC000058143218 558901710 /nfs/dbraw/zinc/90/17/10/558901710.db2.gz RTKNPKNERCZZPV-RUZDIDTESA-N 1 2 410.521 4.315 50 0 HIAALO Cc1nn(-c2ccccc2)c(C)c1[C@@H]1C(=O)NCC[N@@H+]1Cc1cccc2ccccc21 ZINC000058143218 558901712 /nfs/dbraw/zinc/90/17/12/558901712.db2.gz RTKNPKNERCZZPV-RUZDIDTESA-N 1 2 410.521 4.315 50 0 HIAALO CCOc1ccc([C@@H]2CCC[N@@H+]2Cc2nc(N)nc(Nc3ccccc3C)n2)cc1 ZINC000058146036 558902050 /nfs/dbraw/zinc/90/20/50/558902050.db2.gz WGRILOXTGQWBPN-FQEVSTJZSA-N 1 2 404.518 4.242 50 0 HIAALO CCOc1ccc([C@@H]2CCC[N@H+]2Cc2nc(N)nc(Nc3ccccc3C)n2)cc1 ZINC000058146036 558902054 /nfs/dbraw/zinc/90/20/54/558902054.db2.gz WGRILOXTGQWBPN-FQEVSTJZSA-N 1 2 404.518 4.242 50 0 HIAALO COc1cccc(N2CC[NH+](CC(=O)N[C@@H](C)c3ccc(Cl)cc3Cl)CC2)c1 ZINC000058146811 558902140 /nfs/dbraw/zinc/90/21/40/558902140.db2.gz KHCRFKMAULUHPU-HNNXBMFYSA-N 1 2 422.356 4.001 50 0 HIAALO C[C@@H](NC(=O)C[N@@H+]1CCCC[C@@H]1c1nc2ccccc2s1)c1ccc2c(c1)OCO2 ZINC000058160646 558905299 /nfs/dbraw/zinc/90/52/99/558905299.db2.gz NTVXCWQEDWERLV-CRAIPNDOSA-N 1 2 423.538 4.429 50 0 HIAALO C[C@@H](NC(=O)C[N@H+]1CCCC[C@@H]1c1nc2ccccc2s1)c1ccc2c(c1)OCO2 ZINC000058160646 558905302 /nfs/dbraw/zinc/90/53/02/558905302.db2.gz NTVXCWQEDWERLV-CRAIPNDOSA-N 1 2 423.538 4.429 50 0 HIAALO Cc1ccccc1N1CC[NH+]([C@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)CC1 ZINC000058161845 558905847 /nfs/dbraw/zinc/90/58/47/558905847.db2.gz UMOCBHRGJCVJOB-OAQYLSRUSA-N 1 2 406.574 4.135 50 0 HIAALO O=C(NCCn1c(CCc2ccccc2)[nH+]c2ccccc21)NCc1ccc(F)cc1 ZINC000033252165 558920448 /nfs/dbraw/zinc/92/04/48/558920448.db2.gz AAQQGHMCNIBLGL-UHFFFAOYSA-N 1 2 416.500 4.460 50 0 HIAALO CCC(=O)Nc1nc2ccc(NC(=O)CCn3c(C)[nH+]c4ccccc43)cc2s1 ZINC000033252788 558921069 /nfs/dbraw/zinc/92/10/69/558921069.db2.gz SGXMWDKHWZIVFV-UHFFFAOYSA-N 1 2 407.499 4.332 50 0 HIAALO FC(F)(F)c1ccc(N2CC[NH+](Cc3nc(-c4ccc(Cl)cc4)no3)CC2)nc1 ZINC000021937548 558977857 /nfs/dbraw/zinc/97/78/57/558977857.db2.gz 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/nfs/dbraw/zinc/61/01/99/568610199.db2.gz MLTMTUHJAKCTSP-UHFFFAOYSA-N 1 2 401.514 4.062 50 0 HIAALO O=C(Nc1ccc(-c2ccccc2)cc1)N1CCC(N2CCn3cc[nH+]c3C2)CC1 ZINC000095439466 568610200 /nfs/dbraw/zinc/61/02/00/568610200.db2.gz MLTMTUHJAKCTSP-UHFFFAOYSA-N 1 2 401.514 4.062 50 0 HIAALO Clc1cccc(-c2nc(NCC[NH+]3CCOCC3)nc3c2COc2ccccc2-3)c1 ZINC000020467441 568610551 /nfs/dbraw/zinc/61/05/51/568610551.db2.gz KLSKHLJTPSOKJP-UHFFFAOYSA-N 1 2 422.916 4.101 50 0 HIAALO CCc1csc(NC2CC[NH+]([C@H](C)C(=O)Nc3ccc(OC(F)F)cc3)CC2)n1 ZINC000225388203 568633548 /nfs/dbraw/zinc/63/35/48/568633548.db2.gz DRHMGWULVIJOMZ-CYBMUJFWSA-N 1 2 424.517 4.210 50 0 HIAALO COc1cc(C[N@@H+]2CCc3nc(N4CCC(C)CC4)ncc3C2)ccc1OC(C)C ZINC000021039579 568659837 /nfs/dbraw/zinc/65/98/37/568659837.db2.gz YOXRZBILFAKVIQ-UHFFFAOYSA-N 1 2 410.562 4.067 50 0 HIAALO COc1cc(C[N@H+]2CCc3nc(N4CCC(C)CC4)ncc3C2)ccc1OC(C)C ZINC000021039579 568659840 /nfs/dbraw/zinc/65/98/40/568659840.db2.gz YOXRZBILFAKVIQ-UHFFFAOYSA-N 1 2 410.562 4.067 50 0 HIAALO CC(C)(C)OC1CC([N@@H+]2CC[C@H](c3ccc(F)cc3)[C@H](NC(=O)C(F)(F)F)C2)C1 ZINC000096009252 568683812 /nfs/dbraw/zinc/68/38/12/568683812.db2.gz NYMQBVRQYKCILL-OPQOLIRYSA-N 1 2 416.459 4.008 50 0 HIAALO CC(C)(C)OC1CC([N@H+]2CC[C@H](c3ccc(F)cc3)[C@H](NC(=O)C(F)(F)F)C2)C1 ZINC000096009252 568683813 /nfs/dbraw/zinc/68/38/13/568683813.db2.gz NYMQBVRQYKCILL-OPQOLIRYSA-N 1 2 416.459 4.008 50 0 HIAALO Cc1ccccc1S(=O)(=O)Nc1ccccc1CCc1[nH+]c2ccccc2n1C ZINC000021357008 568688293 /nfs/dbraw/zinc/68/82/93/568688293.db2.gz BXQMZOGHIRZKPD-UHFFFAOYSA-N 1 2 405.523 4.468 50 0 HIAALO COc1ccc(C2(C(=O)NCCCCCc3[nH]c4ccccc4[nH+]3)CCOCC2)cc1 ZINC000096115977 568695415 /nfs/dbraw/zinc/69/54/15/568695415.db2.gz VGJRDOXINCQFTD-UHFFFAOYSA-N 1 2 421.541 4.149 50 0 HIAALO Cc1[nH+]c(C(C)C)nc(N2CCN(C(=O)CC(C)C)CC2)c1Cc1ccccc1F ZINC000096317048 568726314 /nfs/dbraw/zinc/72/63/14/568726314.db2.gz SQXXZGFLHGKILM-UHFFFAOYSA-N 1 2 412.553 4.333 50 0 HIAALO CC[C@H](C)c1nc(N2CCN(C(=O)NC(C)C)CC2)c(Cc2ccc(C)cc2)c(C)[nH+]1 ZINC000096317284 568726672 /nfs/dbraw/zinc/72/66/72/568726672.db2.gz AEANCCKCHPXZRH-IBGZPJMESA-N 1 2 423.605 4.438 50 0 HIAALO Cc1nc(N2CCN(C(=O)C3CCC3)CC2)c(Cc2ccc(F)cc2)c(C(C)C)[nH+]1 ZINC000096317697 568726816 /nfs/dbraw/zinc/72/68/16/568726816.db2.gz DHSQRAZNPIQPOQ-UHFFFAOYSA-N 1 2 410.537 4.087 50 0 HIAALO CCc1ccccc1NC(=O)[C@H]1CCC[N@H+](Cc2noc(-c3ccc(C)cc3)n2)C1 ZINC000021724907 568751510 /nfs/dbraw/zinc/75/15/10/568751510.db2.gz UIMQXIXFYPOVAG-FQEVSTJZSA-N 1 2 404.514 4.458 50 0 HIAALO CCc1ccccc1NC(=O)[C@H]1CCC[N@@H+](Cc2noc(-c3ccc(C)cc3)n2)C1 ZINC000021724907 568751512 /nfs/dbraw/zinc/75/15/12/568751512.db2.gz UIMQXIXFYPOVAG-FQEVSTJZSA-N 1 2 404.514 4.458 50 0 HIAALO C[C@H](NC(=O)c1ccccc1)[C@H](c1cccs1)[NH+]1CCN(Cc2ccccc2)CC1 ZINC000022460362 568768540 /nfs/dbraw/zinc/76/85/40/568768540.db2.gz NRFGFEROVBIHSJ-GBXCKJPGSA-N 1 2 419.594 4.426 50 0 HIAALO Cc1ccc(NC(=O)CSc2nnc([C@H](C)[NH+](C)C)n2-c2ccc(F)cc2)cc1 ZINC000002663332 568799805 /nfs/dbraw/zinc/79/98/05/568799805.db2.gz PFRGENWOXOEXTB-HNNXBMFYSA-N 1 2 413.522 4.068 50 0 HIAALO Cc1[nH]c2ccccc2c1NC(=O)C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000057050895 568823744 /nfs/dbraw/zinc/82/37/44/568823744.db2.gz DVEQLQNGYQYVRG-UHFFFAOYSA-N 1 2 416.447 4.256 50 0 HIAALO O=C(c1ccc(F)cc1)c1ccccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000029506629 568827144 /nfs/dbraw/zinc/82/71/44/568827144.db2.gz XXJUJBPTHHKWTB-UHFFFAOYSA-N 1 2 402.469 4.015 50 0 HIAALO COc1ccc([C@@H](NC(=O)Cc2ccc(Cl)c(Cl)c2)c2[nH+]ccn2C)cc1 ZINC000012550935 568852924 /nfs/dbraw/zinc/85/29/24/568852924.db2.gz BBCVKNYDUWXUQY-LJQANCHMSA-N 1 2 404.297 4.184 50 0 HIAALO CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000012560196 568857483 /nfs/dbraw/zinc/85/74/83/568857483.db2.gz NWUQMSASUSKHOO-SBUREZEXSA-N 1 2 400.482 4.014 50 0 HIAALO O=C(C[N@@H+](Cc1cccs1)C[C@@H]1CCCO1)NCc1ccc(Cl)cc1Cl ZINC000057679864 568858040 /nfs/dbraw/zinc/85/80/40/568858040.db2.gz XDEVEHLNQMGMRT-INIZCTEOSA-N 1 2 413.370 4.352 50 0 HIAALO O=C(C[N@H+](Cc1cccs1)C[C@@H]1CCCO1)NCc1ccc(Cl)cc1Cl ZINC000057679864 568858041 /nfs/dbraw/zinc/85/80/41/568858041.db2.gz XDEVEHLNQMGMRT-INIZCTEOSA-N 1 2 413.370 4.352 50 0 HIAALO O=C(Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)c1cc(=O)c2ccccc2o1 ZINC000003254756 568868276 /nfs/dbraw/zinc/86/82/76/568868276.db2.gz BRYKBVPYTSFYEA-UHFFFAOYSA-N 1 2 417.490 4.060 50 0 HIAALO O=C(Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)c1cc(=O)c2ccccc2o1 ZINC000003254756 568868278 /nfs/dbraw/zinc/86/82/78/568868278.db2.gz BRYKBVPYTSFYEA-UHFFFAOYSA-N 1 2 417.490 4.060 50 0 HIAALO COc1cccc(C[N@H+](C)CC(=O)Nc2ccccc2C(=O)Nc2ccccc2)c1 ZINC000003405379 568897092 /nfs/dbraw/zinc/89/70/92/568897092.db2.gz JFAQTWDEPZRJQV-UHFFFAOYSA-N 1 2 403.482 4.018 50 0 HIAALO COc1cccc(C[N@@H+](C)CC(=O)Nc2ccccc2C(=O)Nc2ccccc2)c1 ZINC000003405379 568897093 /nfs/dbraw/zinc/89/70/93/568897093.db2.gz JFAQTWDEPZRJQV-UHFFFAOYSA-N 1 2 403.482 4.018 50 0 HIAALO COc1ccccc1NC(=O)c1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(C)o2)cc1 ZINC000012697569 568916767 /nfs/dbraw/zinc/91/67/67/568916767.db2.gz WJFBRDBLGXUAGW-QGZVFWFLSA-N 1 2 421.497 4.308 50 0 HIAALO COc1ccccc1NC(=O)c1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(C)o2)cc1 ZINC000012697569 568916768 /nfs/dbraw/zinc/91/67/68/568916768.db2.gz WJFBRDBLGXUAGW-QGZVFWFLSA-N 1 2 421.497 4.308 50 0 HIAALO CCOc1ccc(C[N@H+](C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1OC ZINC000003584237 568917249 /nfs/dbraw/zinc/91/72/49/568917249.db2.gz IESRAFDXZLPDRL-UHFFFAOYSA-N 1 2 412.408 4.063 50 0 HIAALO CCOc1ccc(C[N@@H+](C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1OC ZINC000003584237 568917250 /nfs/dbraw/zinc/91/72/50/568917250.db2.gz IESRAFDXZLPDRL-UHFFFAOYSA-N 1 2 412.408 4.063 50 0 HIAALO Cc1oc2c(cc3c(C)c(CCC(=O)NCCCn4cc[nH+]c4)c(=O)oc3c2C)c1C ZINC000003985126 568931259 /nfs/dbraw/zinc/93/12/59/568931259.db2.gz KHNIUPOAMYNUEA-UHFFFAOYSA-N 1 2 421.497 4.108 50 0 biogenic HIAALO Cc1nnc(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)cc2)[nH]1 ZINC000083996373 568932573 /nfs/dbraw/zinc/93/25/73/568932573.db2.gz VARSDHSOSSZCDV-UHFFFAOYSA-N 1 2 416.529 4.290 50 0 HIAALO Cc1cc(C[NH+]2CCN([C@H](C)c3nc(C)c(-c4ccc(Cl)cc4)o3)CC2)on1 ZINC000084124243 568939142 /nfs/dbraw/zinc/93/91/42/568939142.db2.gz FGISLPSNLABTKP-MRXNPFEDSA-N 1 2 400.910 4.479 50 0 HIAALO Cc1ccc(NC(=O)C[N@@H+](Cc2cccs2)C[C@@H]2CCCO2)c(Br)c1 ZINC000012764043 568947275 /nfs/dbraw/zinc/94/72/75/568947275.db2.gz BQCLJNVWWYFLOD-HNNXBMFYSA-N 1 2 423.376 4.439 50 0 HIAALO Cc1ccc(NC(=O)C[N@H+](Cc2cccs2)C[C@@H]2CCCO2)c(Br)c1 ZINC000012764043 568947276 /nfs/dbraw/zinc/94/72/76/568947276.db2.gz BQCLJNVWWYFLOD-HNNXBMFYSA-N 1 2 423.376 4.439 50 0 HIAALO CCCCc1[nH+]c2ccccc2n1CC(=O)Nc1sc2c(c1C(N)=O)CCCC2 ZINC000007979477 568963372 /nfs/dbraw/zinc/96/33/72/568963372.db2.gz XULCSLKEATTYPR-UHFFFAOYSA-N 1 2 410.543 4.057 50 0 HIAALO Cc1cc[nH+]c(NC=C2C(=O)N(C3CCCCC3)C(=O)N(C3CCCCC3)C2=O)c1 ZINC000005533853 569020600 /nfs/dbraw/zinc/02/06/00/569020600.db2.gz JUSHNOCMKYKYOE-UHFFFAOYSA-N 1 2 410.518 4.142 50 0 HIAALO CCOc1ccccc1NC(=O)C[N@H+]1CC=C(c2cnn(-c3ccc(C)cc3)c2)CC1 ZINC000035403780 569035592 /nfs/dbraw/zinc/03/55/92/569035592.db2.gz ITVZTFIHAFZRDN-UHFFFAOYSA-N 1 2 416.525 4.307 50 0 HIAALO CCOc1ccccc1NC(=O)C[N@@H+]1CC=C(c2cnn(-c3ccc(C)cc3)c2)CC1 ZINC000035403780 569035593 /nfs/dbraw/zinc/03/55/93/569035593.db2.gz ITVZTFIHAFZRDN-UHFFFAOYSA-N 1 2 416.525 4.307 50 0 HIAALO Cn1cccc1[C@H]1CCC[N@@H+]1CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1 ZINC000013000752 569049415 /nfs/dbraw/zinc/04/94/15/569049415.db2.gz CTKCZVLBXRKKQP-HXUWFJFHSA-N 1 2 405.546 4.284 50 0 HIAALO Cn1cccc1[C@H]1CCC[N@H+]1CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1 ZINC000013000752 569049416 /nfs/dbraw/zinc/04/94/16/569049416.db2.gz CTKCZVLBXRKKQP-HXUWFJFHSA-N 1 2 405.546 4.284 50 0 HIAALO COCc1ccccc1NC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000089420387 569060140 /nfs/dbraw/zinc/06/01/40/569060140.db2.gz SXGLNASYIHNAPT-IBGZPJMESA-N 1 2 403.320 4.371 50 0 HIAALO CCCC(=O)N1CCN(c2nc(C)[nH+]c(CC)c2Cc2ccc(Cl)cc2)CC1 ZINC000035806930 569060793 /nfs/dbraw/zinc/06/07/93/569060793.db2.gz WIIGVFLRLULORW-UHFFFAOYSA-N 1 2 400.954 4.040 50 0 HIAALO C[NH+](C)c1ccc(Nc2c(C(=O)N3CCSCC3)cnc3ccc(F)cc32)cc1 ZINC000064471721 569063490 /nfs/dbraw/zinc/06/34/90/569063490.db2.gz CAWOBZUQVVEDOL-UHFFFAOYSA-N 1 2 410.518 4.373 50 0 HIAALO COC(=O)c1c(NC(=S)NCCCn2cc[nH+]c2)sc(C)c1-c1ccccc1 ZINC000006565175 569066222 /nfs/dbraw/zinc/06/62/22/569066222.db2.gz ZPCYAESZMOAJJH-UHFFFAOYSA-N 1 2 414.556 4.083 50 0 HIAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)N(C)[C@H](C)c4ccon4)csc3C2)nc1 ZINC000426701369 569073923 /nfs/dbraw/zinc/07/39/23/569073923.db2.gz GUQIFCCQWGEZOO-OAHLLOKOSA-N 1 2 410.543 4.085 50 0 HIAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)N(C)[C@H](C)c4ccon4)csc3C2)nc1 ZINC000426701369 569073924 /nfs/dbraw/zinc/07/39/24/569073924.db2.gz GUQIFCCQWGEZOO-OAHLLOKOSA-N 1 2 410.543 4.085 50 0 HIAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)N(C)[C@@H](C)c4ccon4)csc3C2)nc1 ZINC000426701368 569073961 /nfs/dbraw/zinc/07/39/61/569073961.db2.gz GUQIFCCQWGEZOO-HNNXBMFYSA-N 1 2 410.543 4.085 50 0 HIAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)N(C)[C@@H](C)c4ccon4)csc3C2)nc1 ZINC000426701368 569073962 /nfs/dbraw/zinc/07/39/62/569073962.db2.gz GUQIFCCQWGEZOO-HNNXBMFYSA-N 1 2 410.543 4.085 50 0 HIAALO Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)N[C@H](C)c3ncccc3C)csc2C1 ZINC000426746076 569074122 /nfs/dbraw/zinc/07/41/22/569074122.db2.gz KHKZTQAMXWUIDS-OAHLLOKOSA-N 1 2 410.543 4.106 50 0 HIAALO Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)N[C@H](C)c3ncccc3C)csc2C1 ZINC000426746076 569074123 /nfs/dbraw/zinc/07/41/23/569074123.db2.gz KHKZTQAMXWUIDS-OAHLLOKOSA-N 1 2 410.543 4.106 50 0 HIAALO Cc1ccc(C[N@H+](Cc2nc(C(=O)NC[C@@H]3CCCO3)co2)Cc2ccccc2)cc1 ZINC000036072220 569086490 /nfs/dbraw/zinc/08/64/90/569086490.db2.gz FFFPLYYAEZNVPP-QFIPXVFZSA-N 1 2 419.525 4.094 50 0 HIAALO Cc1ccc(C[N@@H+](Cc2nc(C(=O)NC[C@@H]3CCCO3)co2)Cc2ccccc2)cc1 ZINC000036072220 569086491 /nfs/dbraw/zinc/08/64/91/569086491.db2.gz FFFPLYYAEZNVPP-QFIPXVFZSA-N 1 2 419.525 4.094 50 0 HIAALO COCCN(Cc1[nH+]ccn1Cc1ccc(F)cc1)C(=O)c1ccc(Cl)cc1 ZINC000006724029 569100525 /nfs/dbraw/zinc/10/05/25/569100525.db2.gz XMUJHKKTYNZWNN-UHFFFAOYSA-N 1 2 401.869 4.013 50 0 HIAALO C[C@@H]1CN(C(=O)[C@H]2CCCN(c3[nH+]c4ccccc4n3C3CCCC3)C2)C[C@@H](C)O1 ZINC000169679017 569126559 /nfs/dbraw/zinc/12/65/59/569126559.db2.gz CPCXZQNLFGGQDQ-QRVBRYPASA-N 1 2 410.562 4.004 50 0 HIAALO Cc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3ccc(-n4cc[nH+]c4)c(Cl)c3)c12 ZINC000036615896 569207138 /nfs/dbraw/zinc/20/71/38/569207138.db2.gz CGZXXJKZRGJNIY-UHFFFAOYSA-N 1 2 406.877 4.246 50 0 HIAALO O=C(c1ccccn1)N1CCC[C@]2(C1)Nc1ccccc1NC2=[NH+]Cc1ccccc1 ZINC000065259918 569210826 /nfs/dbraw/zinc/21/08/26/569210826.db2.gz ARCUUKPRPSHSJW-RUZDIDTESA-N 1 2 411.509 4.002 50 0 HIAALO Cc1cc(C(=O)N(CCC[NH+]2CCOCC2)c2nc3ccc(F)cc3s2)c(C)o1 ZINC000036707270 569221903 /nfs/dbraw/zinc/22/19/03/569221903.db2.gz FULWZBPRYUQXPR-UHFFFAOYSA-N 1 2 417.506 4.014 50 0 HIAALO COc1c(C)c[nH+]c(CN(C)C(=O)c2c(C)nn(-c3ccc(F)cc3F)c2C)c1C ZINC000065530472 569233941 /nfs/dbraw/zinc/23/39/41/569233941.db2.gz MFVNWGGVVMQLSF-UHFFFAOYSA-N 1 2 414.456 4.060 50 0 HIAALO COc1ccc(Cl)c2sc(N(CCCn3cc[nH+]c3)C(=O)c3ccco3)nc21 ZINC000007424815 569237960 /nfs/dbraw/zinc/23/79/60/569237960.db2.gz OKXCZVMPHUEHJQ-UHFFFAOYSA-N 1 2 416.890 4.485 50 0 HIAALO CCOc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(C(=O)c2ccc(OC)cc2)CC1 ZINC000014327246 569259460 /nfs/dbraw/zinc/25/94/60/569259460.db2.gz XOLZZOYIDJXINV-KRWDZBQOSA-N 1 2 410.514 4.016 50 0 HIAALO Cc1cc(N(C)C)nc(Nc2ccc(NC(=O)c3ccc(Br)o3)cc2)[nH+]1 ZINC000017013402 569271589 /nfs/dbraw/zinc/27/15/89/569271589.db2.gz DGLVNLSEXKODLN-UHFFFAOYSA-N 1 2 416.279 4.202 50 0 HIAALO C[C@H]1C[N@@H+]([C@H](CNC(=O)CCCc2ccc(Cl)cc2)c2cccs2)CCO1 ZINC000252517490 569292240 /nfs/dbraw/zinc/29/22/40/569292240.db2.gz JXPZEKXJPLPSJA-QFBILLFUSA-N 1 2 406.979 4.302 50 0 HIAALO C[C@H]1C[N@H+]([C@H](CNC(=O)CCCc2ccc(Cl)cc2)c2cccs2)CCO1 ZINC000252517490 569292241 /nfs/dbraw/zinc/29/22/41/569292241.db2.gz JXPZEKXJPLPSJA-QFBILLFUSA-N 1 2 406.979 4.302 50 0 HIAALO COc1ccc(C[N@H+](C)CCS(=O)(=O)c2cc(Cl)ccc2Cl)cc1F ZINC000007607235 569295257 /nfs/dbraw/zinc/29/52/57/569295257.db2.gz CZXPBOBFAQHIBS-UHFFFAOYSA-N 1 2 406.306 4.047 50 0 HIAALO COc1ccc(C[N@@H+](C)CCS(=O)(=O)c2cc(Cl)ccc2Cl)cc1F ZINC000007607235 569295258 /nfs/dbraw/zinc/29/52/58/569295258.db2.gz CZXPBOBFAQHIBS-UHFFFAOYSA-N 1 2 406.306 4.047 50 0 HIAALO Cc1ccc(C2=NN(C(=O)C[N@H+]3CCC[C@@H]3c3cccn3C)[C@@H](c3ccco3)C2)cc1 ZINC000007855076 569314710 /nfs/dbraw/zinc/31/47/10/569314710.db2.gz DHJUTNOVWOMMNL-DHIUTWEWSA-N 1 2 416.525 4.441 50 0 HIAALO Cc1ccc(C2=NN(C(=O)C[N@@H+]3CCC[C@@H]3c3cccn3C)[C@@H](c3ccco3)C2)cc1 ZINC000007855076 569314711 /nfs/dbraw/zinc/31/47/11/569314711.db2.gz DHJUTNOVWOMMNL-DHIUTWEWSA-N 1 2 416.525 4.441 50 0 HIAALO O=C(NCc1cccnc1-n1cc[nH+]c1)c1[nH]ccc1-c1c(Cl)cccc1Cl ZINC000253427105 569368287 /nfs/dbraw/zinc/36/82/87/569368287.db2.gz LACGHRDJGLHMOR-UHFFFAOYSA-N 1 2 412.280 4.499 50 0 HIAALO Cc1ccc(-n2ncc3c2nc[nH+]c3SCC(=O)Nc2cc(C)cc(C)c2)cc1 ZINC000002452068 569405626 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COc1cccc(-n2c(C[N@H+](C)Cc3ccc(O)cc3)nnc2SCC(C)C)c1 ZINC000015000893 558697693 /nfs/dbraw/zinc/69/76/93/558697693.db2.gz URCPLEHJVYYAPK-UHFFFAOYSA-N 1 2 412.559 4.362 50 0 HIAALO COc1cccc(-n2c(C[N@@H+](C)Cc3ccc(O)cc3)nnc2SCC(C)C)c1 ZINC000015000893 558697696 /nfs/dbraw/zinc/69/76/96/558697696.db2.gz URCPLEHJVYYAPK-UHFFFAOYSA-N 1 2 412.559 4.362 50 0 HIAALO Cc1oc(-c2cc3c(cc2Cl)OCO3)nc1CN1CCCC[C@H]1c1[nH+]ccn1C ZINC000015062606 558705379 /nfs/dbraw/zinc/70/53/79/558705379.db2.gz IVJCCYSQBKLGHJ-KRWDZBQOSA-N 1 2 414.893 4.493 50 0 HIAALO O[C@H](CCc1ccccc1)C1CC[NH+](Cc2nc(Cc3ccccc3F)no2)CC1 ZINC000015069921 558712150 /nfs/dbraw/zinc/71/21/50/558712150.db2.gz CBZBKLOKPYWVFL-JOCHJYFZSA-N 1 2 409.505 4.005 50 0 HIAALO Cn1cc[nH+]c1[C@H](NC(=O)NCCc1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000029317273 558713133 /nfs/dbraw/zinc/71/31/33/558713133.db2.gz HWWYMKKXWROLKE-GOSISDBHSA-N 1 2 403.313 4.358 50 0 HIAALO COc1ccc(C[N@H+](C)CC(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)cc1 ZINC000015113834 558723935 /nfs/dbraw/zinc/72/39/35/558723935.db2.gz JIVXKPUKQSYROG-UHFFFAOYSA-N 1 2 403.454 4.167 50 0 HIAALO COc1ccc(C[N@@H+](C)CC(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)cc1 ZINC000015113834 558723936 /nfs/dbraw/zinc/72/39/36/558723936.db2.gz JIVXKPUKQSYROG-UHFFFAOYSA-N 1 2 403.454 4.167 50 0 HIAALO COc1ccc(OC)c(C[NH+]2CCN(C(=O)c3cc(SC)ccc3Cl)CC2)c1 ZINC000030109079 558726957 /nfs/dbraw/zinc/72/69/57/558726957.db2.gz IRBBAHSAPZANKU-UHFFFAOYSA-N 1 2 420.962 4.037 50 0 HIAALO CC[C@H](CO)[N@H+](Cc1nc(-c2ccncc2)no1)Cc1ccc(Cl)cc1Cl ZINC000072308525 558769318 /nfs/dbraw/zinc/76/93/18/558769318.db2.gz YTSWFPKUAJBNJZ-MRXNPFEDSA-N 1 2 407.301 4.212 50 0 HIAALO CC[C@H](CO)[N@@H+](Cc1nc(-c2ccncc2)no1)Cc1ccc(Cl)cc1Cl ZINC000072308525 558769320 /nfs/dbraw/zinc/76/93/20/558769320.db2.gz YTSWFPKUAJBNJZ-MRXNPFEDSA-N 1 2 407.301 4.212 50 0 HIAALO C[C@H](Sc1[nH+]cnc2c1cnn2-c1ccccc1)C(=O)NCCC1=CCCCC1 ZINC000004601758 558842341 /nfs/dbraw/zinc/84/23/41/558842341.db2.gz JINPSMHNAJLWBR-INIZCTEOSA-N 1 2 407.543 4.303 50 0 HIAALO CC(C)c1csc(C[N@@H+]2CCC[C@H](N3CCN(c4ccc(F)cc4)CC3)C2)n1 ZINC000019223685 558852285 /nfs/dbraw/zinc/85/22/85/558852285.db2.gz ROQLYAGWGZESHR-FQEVSTJZSA-N 1 2 402.583 4.192 50 0 HIAALO CC(C)c1csc(C[N@H+]2CCC[C@H](N3CCN(c4ccc(F)cc4)CC3)C2)n1 ZINC000019223685 558852286 /nfs/dbraw/zinc/85/22/86/558852286.db2.gz ROQLYAGWGZESHR-FQEVSTJZSA-N 1 2 402.583 4.192 50 0 HIAALO CC(C)Oc1ccc(CNC(=O)C2CCN(c3[nH+]cccc3-n3cccc3)CC2)cc1 ZINC000033034647 558858707 /nfs/dbraw/zinc/85/87/07/558858707.db2.gz DWNVBVXGZNMLSH-UHFFFAOYSA-N 1 2 418.541 4.192 50 0 HIAALO COc1ccc(F)cc1C[NH+]1CCN(c2ncnc3sc4c(c32)CCCC4)CC1 ZINC000054074880 558866087 /nfs/dbraw/zinc/86/60/87/558866087.db2.gz RYFZWJKFUMLMRD-UHFFFAOYSA-N 1 2 412.534 4.040 50 0 HIAALO CCc1ccc2oc(=O)cc(C[NH+]3CCN(Cc4c(F)cccc4Cl)CC3)c2c1 ZINC000033088021 558869826 /nfs/dbraw/zinc/86/98/26/558869826.db2.gz LGVFDQSSBRUMJZ-UHFFFAOYSA-N 1 2 414.908 4.466 50 0 HIAALO CCn1c2ccccc2[nH+]c1N1CCN(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000033106434 558874302 /nfs/dbraw/zinc/87/43/02/558874302.db2.gz SJWALRGAHXPUOI-UHFFFAOYSA-N 1 2 401.873 4.203 50 0 HIAALO COc1cc(C[NH+]2CCN(c3cc(C)ccc3C)CC2)cc(Br)c1O ZINC000055292354 558878653 /nfs/dbraw/zinc/87/86/53/558878653.db2.gz OESQSCULLNMJLQ-UHFFFAOYSA-N 1 2 405.336 4.102 50 0 HIAALO O=C(Nc1ccc(F)cc1)[C@H](c1ccccc1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000058158737 558904051 /nfs/dbraw/zinc/90/40/51/558904051.db2.gz XGCBPTDMYONFRH-QHCPKHFHSA-N 1 2 407.464 4.467 50 0 HIAALO Cc1ccc(C)n1-c1c2cccnc2sc1C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000033059935 558954213 /nfs/dbraw/zinc/95/42/13/558954213.db2.gz ZJTSEGYSXNMJBY-UHFFFAOYSA-N 1 2 417.538 4.061 50 0 HIAALO C[N@@H+]1CCc2nc3sc(C(=O)Nc4ccc(OC(F)(F)F)cc4)c(N)c3cc2C1 ZINC000019691703 558961059 /nfs/dbraw/zinc/96/10/59/558961059.db2.gz PLOSBOSULVCEME-UHFFFAOYSA-N 1 2 422.432 4.017 50 0 HIAALO C[N@H+]1CCc2nc3sc(C(=O)Nc4ccc(OC(F)(F)F)cc4)c(N)c3cc2C1 ZINC000019691703 558961062 /nfs/dbraw/zinc/96/10/62/558961062.db2.gz PLOSBOSULVCEME-UHFFFAOYSA-N 1 2 422.432 4.017 50 0 HIAALO Cc1nc(-n2ccnc2)cc(Nc2ccc(NC(=O)Nc3cccc(F)c3)cc2)[nH+]1 ZINC000072437335 558980803 /nfs/dbraw/zinc/98/08/03/558980803.db2.gz FMJVWXZQBPRJAE-UHFFFAOYSA-N 1 2 403.421 4.497 50 0 HIAALO Cc1cc(N2CCC(Oc3ccc(Cl)cc3C(=O)NC(C)(C)C)CC2)nc[nH+]1 ZINC000095510022 559083684 /nfs/dbraw/zinc/08/36/84/559083684.db2.gz VLVRCZPOSSBBLO-UHFFFAOYSA-N 1 2 402.926 4.015 50 0 HIAALO C[C@]1(c2ccc3ccccc3c2)NC(=O)N(C[N@H+]2CC=C(c3ccccc3)CC2)C1=O ZINC000033530734 559207110 /nfs/dbraw/zinc/20/71/10/559207110.db2.gz MFKMWPPDOJJCNN-AREMUKBSSA-N 1 2 411.505 4.354 50 0 HIAALO C[C@]1(c2ccc3ccccc3c2)NC(=O)N(C[N@@H+]2CC=C(c3ccccc3)CC2)C1=O ZINC000033530734 559207112 /nfs/dbraw/zinc/20/71/12/559207112.db2.gz MFKMWPPDOJJCNN-AREMUKBSSA-N 1 2 411.505 4.354 50 0 HIAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)N4CCC(F)(F)CC4)csc3C2)nc1 ZINC000426590047 559274741 /nfs/dbraw/zinc/27/47/41/559274741.db2.gz WCSCFCXLMJHRPW-UHFFFAOYSA-N 1 2 405.514 4.135 50 0 HIAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)N4CCC(F)(F)CC4)csc3C2)nc1 ZINC000426590047 559274744 /nfs/dbraw/zinc/27/47/44/559274744.db2.gz WCSCFCXLMJHRPW-UHFFFAOYSA-N 1 2 405.514 4.135 50 0 HIAALO O=C(c1ccc(Br)o1)N1CCC(Cn2cc[nH+]c2-c2ccccc2)CC1 ZINC000062130234 560580498 /nfs/dbraw/zinc/58/04/98/560580498.db2.gz IEWABAUCOXWTKH-UHFFFAOYSA-N 1 2 414.303 4.458 50 0 HIAALO Cc1cc(C)c(S(=O)(=O)N[C@@H](c2[nH+]ccn2C)c2ccc(Cl)cc2)c(C)c1 ZINC000017521369 560718060 /nfs/dbraw/zinc/71/80/60/560718060.db2.gz MPTOEDTZPSLFIE-GOSISDBHSA-N 1 2 403.935 4.067 50 0 HIAALO CCc1[nH+]c(C2CC2)nc(N2CCN(C(=O)C(C)C)CC2)c1Cc1cc(C)ccc1C ZINC000096317331 560848745 /nfs/dbraw/zinc/84/87/45/560848745.db2.gz WEYFHGXFUDJQIV-UHFFFAOYSA-N 1 2 420.601 4.429 50 0 HIAALO CCOC(=O)/C=C/c1ccc(NC(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000048064796 568431802 /nfs/dbraw/zinc/43/18/02/568431802.db2.gz OCJMCWWHZNIZEE-SDTVSMOJSA-N 1 2 404.470 4.331 50 0 HIAALO O=C(C[NH+]1CCC(c2nnc(-c3ccco3)o2)CC1)Nc1cccc(Cl)c1Cl ZINC000049372056 568447243 /nfs/dbraw/zinc/44/72/43/568447243.db2.gz QHHVSCLTUZFRPE-UHFFFAOYSA-N 1 2 421.284 4.455 50 0 HIAALO COc1ccc(C)cc1NC(=O)C[NH+]1CCC(c2nc(-c3ccc(C)cc3)no2)CC1 ZINC000049403268 568448230 /nfs/dbraw/zinc/44/82/30/568448230.db2.gz KTPPCJYWODKOHD-UHFFFAOYSA-N 1 2 420.513 4.180 50 0 HIAALO Cc1ccc(NC(=O)C[NH+]2CCC(c3nc(-c4ccc(F)cc4)no3)CC2)c(F)c1 ZINC000049403422 568448331 /nfs/dbraw/zinc/44/83/31/568448331.db2.gz CNOYAJCKVKUOQA-UHFFFAOYSA-N 1 2 412.440 4.141 50 0 HIAALO O=C(c1csc2nc(-c3ccc(F)cc3)cn12)N1CC[NH+](Cc2ccccc2)CC1 ZINC000021191901 568462366 /nfs/dbraw/zinc/46/23/66/568462366.db2.gz SZHOEILWRNDPLK-UHFFFAOYSA-N 1 2 420.513 4.160 50 0 HIAALO O=c1nc(CN2CC[NH+](Cc3ccsc3)CC2)[nH]c2scc(-c3ccccc3)c21 ZINC000022788019 568499615 /nfs/dbraw/zinc/49/96/15/568499615.db2.gz YOVDRHGAOITTBZ-UHFFFAOYSA-N 1 2 422.579 4.031 50 0 HIAALO Cc1ccc2[nH]c(N3CCC[C@@H](C(=O)NCCc4c[nH]c5ccc(C)cc45)C3)[nH+]c2c1 ZINC000033072112 568511111 /nfs/dbraw/zinc/51/11/11/568511111.db2.gz PWXHSPWLPNIOFL-LJQANCHMSA-N 1 2 415.541 4.236 50 0 HIAALO Cc1ccc2[nH+]c(N3CCC[C@@H](C(=O)NCCc4c[nH]c5ccc(C)cc45)C3)[nH]c2c1 ZINC000033072112 568511112 /nfs/dbraw/zinc/51/11/12/568511112.db2.gz PWXHSPWLPNIOFL-LJQANCHMSA-N 1 2 415.541 4.236 50 0 HIAALO Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[N@@H+]1C[C@@H](C)C[C@H]1c1cccnc1 ZINC000225397288 568634007 /nfs/dbraw/zinc/63/40/07/568634007.db2.gz IBPIMNQYMKPVRO-JTSKRJEESA-N 1 2 403.530 4.214 50 0 HIAALO Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[N@H+]1C[C@@H](C)C[C@H]1c1cccnc1 ZINC000225397288 568634010 /nfs/dbraw/zinc/63/40/10/568634010.db2.gz IBPIMNQYMKPVRO-JTSKRJEESA-N 1 2 403.530 4.214 50 0 HIAALO Cn1nccc1[C@H]1CCCC[N@@H+]1CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1 ZINC000225632199 568658671 /nfs/dbraw/zinc/65/86/71/568658671.db2.gz NVKRBVZINXMSLQ-HXUWFJFHSA-N 1 2 420.561 4.069 50 0 HIAALO Cn1nccc1[C@H]1CCCC[N@H+]1CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1 ZINC000225632199 568658672 /nfs/dbraw/zinc/65/86/72/568658672.db2.gz NVKRBVZINXMSLQ-HXUWFJFHSA-N 1 2 420.561 4.069 50 0 HIAALO C[N@H+](CCOc1ccccc1Cl)Cc1nc2ccccc2c(=O)n1Cc1ccco1 ZINC000095946787 568664697 /nfs/dbraw/zinc/66/46/97/568664697.db2.gz LFBGMVHBVLQXRV-UHFFFAOYSA-N 1 2 423.900 4.202 50 0 HIAALO C[N@@H+](CCOc1ccccc1Cl)Cc1nc2ccccc2c(=O)n1Cc1ccco1 ZINC000095946787 568664698 /nfs/dbraw/zinc/66/46/98/568664698.db2.gz LFBGMVHBVLQXRV-UHFFFAOYSA-N 1 2 423.900 4.202 50 0 HIAALO CC[NH+]1CCN(c2c3cc(C)ccc3ncc2S(=O)(=O)c2ccc(C)c(C)c2)CC1 ZINC000021158524 568674090 /nfs/dbraw/zinc/67/40/90/568674090.db2.gz QBTFQPPGVOJOAM-UHFFFAOYSA-N 1 2 423.582 4.135 50 0 HIAALO O=C(NC1CCCC1)C1CCN(c2[nH+]c3ccccc3n2Cc2cccc(F)c2)CC1 ZINC000021158858 568674181 /nfs/dbraw/zinc/67/41/81/568674181.db2.gz RYHWYWQLPHCISJ-UHFFFAOYSA-N 1 2 420.532 4.499 50 0 HIAALO O=C(NCC1(c2c(F)cccc2F)CC1)[C@H]1CCn2c(c[nH+]c2-c2ccccc2)C1 ZINC000095993279 568678138 /nfs/dbraw/zinc/67/81/38/568678138.db2.gz ZQUXXSKFFMCPFP-KRWDZBQOSA-N 1 2 407.464 4.239 50 0 HIAALO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)/C=C/c2ccc(Cl)cc2Cl)CC1 ZINC000024979260 568698915 /nfs/dbraw/zinc/69/89/15/568698915.db2.gz SKIDASNFGXNEQZ-VQHVLOKHSA-N 1 2 418.324 4.033 50 0 HIAALO CCc1[nH+]c([C@H](C)CC)nc(N2CCN(C(=O)C3CC3)CC2)c1Cc1ccccc1F ZINC000096317213 568726378 /nfs/dbraw/zinc/72/63/78/568726378.db2.gz HQPYBRLEJWWVNA-QGZVFWFLSA-N 1 2 424.564 4.341 50 0 HIAALO CC[C@@H](C)c1nc(N2CCN(C(=O)N(C)C)CC2)c(Cc2ccc(C)cc2)c(C)[nH+]1 ZINC000096317312 568726700 /nfs/dbraw/zinc/72/67/00/568726700.db2.gz ZCZBWEPTUFNUGC-GOSISDBHSA-N 1 2 409.578 4.001 50 0 HIAALO Cc1[nH+]c2ccccc2n1[C@H]1CCN(S(=O)(=O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000585149236 568742931 /nfs/dbraw/zinc/74/29/31/568742931.db2.gz ZHKINAANMFEFRM-KRWDZBQOSA-N 1 2 423.460 4.140 50 0 HIAALO Cc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](C(=O)NCc4ccccc4Cl)C3)no2)cc1 ZINC000021724794 568751178 /nfs/dbraw/zinc/75/11/78/568751178.db2.gz QURYBHSBPVRFPI-LJQANCHMSA-N 1 2 424.932 4.227 50 0 HIAALO Cc1ccc(-c2nc(C[N@H+]3CCC[C@@H](C(=O)NCc4ccccc4Cl)C3)no2)cc1 ZINC000021724794 568751179 /nfs/dbraw/zinc/75/11/79/568751179.db2.gz QURYBHSBPVRFPI-LJQANCHMSA-N 1 2 424.932 4.227 50 0 HIAALO Cc1nc(Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2)cc(N2CCOCC2)[nH+]1 ZINC000021794491 568753444 /nfs/dbraw/zinc/75/34/44/568753444.db2.gz KNSBPGGDFZNVFG-UHFFFAOYSA-N 1 2 423.904 4.271 50 0 HIAALO Cc1cccc(Cn2cccc2C[N@H+](CCN2CCOCC2)Cc2ccccc2F)c1 ZINC000022468616 568768386 /nfs/dbraw/zinc/76/83/86/568768386.db2.gz QINRQVGOXPBGCM-UHFFFAOYSA-N 1 2 421.560 4.318 50 0 HIAALO Cc1cccc(Cn2cccc2C[N@@H+](CCN2CCOCC2)Cc2ccccc2F)c1 ZINC000022468616 568768388 /nfs/dbraw/zinc/76/83/88/568768388.db2.gz QINRQVGOXPBGCM-UHFFFAOYSA-N 1 2 421.560 4.318 50 0 HIAALO Cc1cccc(Cn2cccc2CN(CC[NH+]2CCOCC2)Cc2ccccc2F)c1 ZINC000022468616 568768390 /nfs/dbraw/zinc/76/83/90/568768390.db2.gz QINRQVGOXPBGCM-UHFFFAOYSA-N 1 2 421.560 4.318 50 0 HIAALO Cc1cccc(C(=O)NC[C@H](c2ccco2)[NH+]2CCN(c3ccc(F)cc3)CC2)c1 ZINC000056945669 568821481 /nfs/dbraw/zinc/82/14/81/568821481.db2.gz OFTHAYNJVWOOEB-JOCHJYFZSA-N 1 2 407.489 4.020 50 0 HIAALO Cc1cccc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCN(c3ccc(F)cc3)CC2)c1 ZINC000056945667 568821593 /nfs/dbraw/zinc/82/15/93/568821593.db2.gz OFTHAYNJVWOOEB-QFIPXVFZSA-N 1 2 407.489 4.020 50 0 HIAALO O=C(C[NH+]1CCN(c2ccccc2)CC1)Nc1ccc(OCc2ccccc2)cc1 ZINC000057063781 568824055 /nfs/dbraw/zinc/82/40/55/568824055.db2.gz ZYEPRALESRWPEV-UHFFFAOYSA-N 1 2 401.510 4.026 50 0 HIAALO Cc1[nH+]c2ccccc2n1CCNC(=O)CCc1c(C)nc2c(cnn2C(C)C)c1C ZINC000012536375 568845776 /nfs/dbraw/zinc/84/57/76/568845776.db2.gz XKCJWLXPRNEXGG-UHFFFAOYSA-N 1 2 418.545 4.036 50 0 HIAALO Cn1cc[nH+]c1[C@@H](NC(=O)c1cc(Br)ccc1Cl)c1ccccc1F ZINC000012544501 568849635 /nfs/dbraw/zinc/84/96/35/568849635.db2.gz HYZOOJYWTUOISR-INIZCTEOSA-N 1 2 422.685 4.495 50 0 HIAALO COC(=O)C1CC[NH+](CC(=O)c2cc(C)n(CCc3ccc(Cl)cc3)c2C)CC1 ZINC000057530626 568851430 /nfs/dbraw/zinc/85/14/30/568851430.db2.gz NWIFUKMRRYKTKT-UHFFFAOYSA-N 1 2 416.949 4.069 50 0 HIAALO CN([C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)s1 ZINC000012547540 568851513 /nfs/dbraw/zinc/85/15/13/568851513.db2.gz VOJBVNGBLFKJSH-HNNXBMFYSA-N 1 2 416.355 4.199 50 0 HIAALO Cn1cc[nH+]c1[C@H](NC(=O)COc1cc(Cl)ccc1Cl)c1ccccc1F ZINC000012578728 568863264 /nfs/dbraw/zinc/86/32/64/568863264.db2.gz UNIIRXLPDOLWQU-GOSISDBHSA-N 1 2 408.260 4.151 50 0 HIAALO O=C(C[NH+]1CCN(c2ccc(F)cc2)CC1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000058139281 568890550 /nfs/dbraw/zinc/89/05/50/568890550.db2.gz GGVFXPPPTIAWKH-UHFFFAOYSA-N 1 2 415.818 4.259 50 0 HIAALO C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+]1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000058305446 568910361 /nfs/dbraw/zinc/91/03/61/568910361.db2.gz DJXINEIVIGYZNA-GHTZIAJQSA-N 1 2 404.514 4.483 50 0 HIAALO C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+]1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000058305446 568910363 /nfs/dbraw/zinc/91/03/63/568910363.db2.gz DJXINEIVIGYZNA-GHTZIAJQSA-N 1 2 404.514 4.483 50 0 HIAALO O=C(c1ccc(-c2ccccc2Cl)o1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000012691680 568915439 /nfs/dbraw/zinc/91/54/39/568915439.db2.gz DDCPINNFQMJKLB-UHFFFAOYSA-N 1 2 424.884 4.287 50 0 HIAALO O=C(C[NH+]1CCN(c2cccc(Cl)c2)CC1)NC(c1ccccc1)c1ccccc1 ZINC000058448474 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50 0 HIAALO CC[N@H+](CCCNC(=O)[C@@H](NC(=O)c1ccccc1Cl)C(C)C)c1ccccc1 ZINC000012753460 568941915 /nfs/dbraw/zinc/94/19/15/568941915.db2.gz FLYDMGJORSRSNU-NRFANRHFSA-N 1 2 415.965 4.127 50 0 HIAALO CC[N@@H+](CCCNC(=O)[C@@H](NC(=O)c1ccccc1Cl)C(C)C)c1ccccc1 ZINC000012753460 568941916 /nfs/dbraw/zinc/94/19/16/568941916.db2.gz FLYDMGJORSRSNU-NRFANRHFSA-N 1 2 415.965 4.127 50 0 HIAALO C[C@H](NC(=O)C1=Cc2cc(Br)ccc2OC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000012761952 568946102 /nfs/dbraw/zinc/94/61/02/568946102.db2.gz HLNMZJIEYCVBIR-AWEZNQCLSA-N 1 2 424.298 4.288 50 0 HIAALO C[C@@H]1C[N@@H+]([C@@H](CNC(=O)CCCc2ccc(Cl)cc2)c2cccs2)CCO1 ZINC000084715113 568956889 /nfs/dbraw/zinc/95/68/89/568956889.db2.gz JXPZEKXJPLPSJA-APWZRJJASA-N 1 2 406.979 4.302 50 0 HIAALO C[C@@H]1C[N@H+]([C@@H](CNC(=O)CCCc2ccc(Cl)cc2)c2cccs2)CCO1 ZINC000084715113 568956890 /nfs/dbraw/zinc/95/68/90/568956890.db2.gz JXPZEKXJPLPSJA-APWZRJJASA-N 1 2 406.979 4.302 50 0 HIAALO C[C@@H](NC(=O)Cc1c(Cl)cccc1Cl)[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000012782453 568958602 /nfs/dbraw/zinc/95/86/02/568958602.db2.gz FQNIEDVZWORNEG-QVKFZJNVSA-N 1 2 407.341 4.114 50 0 HIAALO C[C@H](Sc1[nH+]cnc2c1cnn2-c1ccccc1)C(=O)Nc1ccc2c(c1)CCC2 ZINC000008156279 568977828 /nfs/dbraw/zinc/97/78/28/568977828.db2.gz MQBPSKHIJGASLV-HNNXBMFYSA-N 1 2 415.522 4.424 50 0 HIAALO Cc1cccc(NC(=O)NC(=O)C[N@@H+]2CCC[C@@H]2c2nc3ccccc3s2)c1C ZINC000008313447 568989372 /nfs/dbraw/zinc/98/93/72/568989372.db2.gz TXFJASFYMVXACS-GOSISDBHSA-N 1 2 408.527 4.398 50 0 HIAALO Cc1cccc(NC(=O)NC(=O)C[N@H+]2CCC[C@@H]2c2nc3ccccc3s2)c1C ZINC000008313447 568989373 /nfs/dbraw/zinc/98/93/73/568989373.db2.gz TXFJASFYMVXACS-GOSISDBHSA-N 1 2 408.527 4.398 50 0 HIAALO C[N@@H+](Cc1nc(-c2ccc(C(F)(F)F)cc2)no1)C[C@@H]1COc2ccccc2O1 ZINC000012900755 569020753 /nfs/dbraw/zinc/02/07/53/569020753.db2.gz HNSZJQQHKOMADD-OAHLLOKOSA-N 1 2 405.376 4.027 50 0 HIAALO C[N@H+](Cc1nc(-c2ccc(C(F)(F)F)cc2)no1)C[C@@H]1COc2ccccc2O1 ZINC000012900755 569020754 /nfs/dbraw/zinc/02/07/54/569020754.db2.gz HNSZJQQHKOMADD-OAHLLOKOSA-N 1 2 405.376 4.027 50 0 HIAALO O=C(NC[C@@H](c1cccs1)[NH+]1CCOCC1)c1cccc2c3c([nH]c21)CCCCC3 ZINC000012933833 569025724 /nfs/dbraw/zinc/02/57/24/569025724.db2.gz FJHHEQNAVIWRKG-NRFANRHFSA-N 1 2 423.582 4.302 50 0 HIAALO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc(OC(F)(F)F)cc1)c1ccc(Cl)cc1 ZINC000016261789 569030294 /nfs/dbraw/zinc/03/02/94/569030294.db2.gz WRYQNKAKTUYQKV-MRXNPFEDSA-N 1 2 409.795 4.492 50 0 HIAALO CCc1ccccc1NC(=O)C[N@H+]1CC=C(c2cnn(-c3ccc(C)cc3)c2)CC1 ZINC000035403866 569035589 /nfs/dbraw/zinc/03/55/89/569035589.db2.gz DTLIQEARLFOJLH-UHFFFAOYSA-N 1 2 400.526 4.471 50 0 HIAALO CCc1ccccc1NC(=O)C[N@@H+]1CC=C(c2cnn(-c3ccc(C)cc3)c2)CC1 ZINC000035403866 569035590 /nfs/dbraw/zinc/03/55/90/569035590.db2.gz DTLIQEARLFOJLH-UHFFFAOYSA-N 1 2 400.526 4.471 50 0 HIAALO C[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[N@H+](C)Cc1ccc(N(C)C)nc1 ZINC000089518897 569062673 /nfs/dbraw/zinc/06/26/73/569062673.db2.gz DTUCXNYBHHXYEI-LBPRGKRZSA-N 1 2 414.859 4.279 50 0 HIAALO C[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[N@@H+](C)Cc1ccc(N(C)C)nc1 ZINC000089518897 569062674 /nfs/dbraw/zinc/06/26/74/569062674.db2.gz DTUCXNYBHHXYEI-LBPRGKRZSA-N 1 2 414.859 4.279 50 0 HIAALO Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)N[C@H](C)c3ccc(C)nc3)csc2C1 ZINC000426647012 569073666 /nfs/dbraw/zinc/07/36/66/569073666.db2.gz HGIGSFGZPHEECF-CQSZACIVSA-N 1 2 410.543 4.106 50 0 HIAALO Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)N[C@H](C)c3ccc(C)nc3)csc2C1 ZINC000426647012 569073667 /nfs/dbraw/zinc/07/36/67/569073667.db2.gz HGIGSFGZPHEECF-CQSZACIVSA-N 1 2 410.543 4.106 50 0 HIAALO COc1ccc2c(c1)c(C(=O)C[NH+]1CCN(c3cccc(C)c3C)CC1)c(C)n2C ZINC000036003874 569075591 /nfs/dbraw/zinc/07/55/91/569075591.db2.gz XDTUJGYVGFXAIK-UHFFFAOYSA-N 1 2 405.542 4.117 50 0 HIAALO COc1cccc(C[N@@H+](Cc2ccco2)C[C@@H](O)COc2ccccc2C)c1OC ZINC000036103608 569092182 /nfs/dbraw/zinc/09/21/82/569092182.db2.gz YWPOSVRZBNJCMV-HXUWFJFHSA-N 1 2 411.498 4.047 50 0 HIAALO COc1cccc(C[N@H+](Cc2ccco2)C[C@@H](O)COc2ccccc2C)c1OC ZINC000036103608 569092183 /nfs/dbraw/zinc/09/21/83/569092183.db2.gz YWPOSVRZBNJCMV-HXUWFJFHSA-N 1 2 411.498 4.047 50 0 HIAALO COC(=O)CC1=CC(SCC(=O)NCc2ccccc2)=[NH+]c2cc(C)c(C)cc2N1 ZINC000064869944 569112360 /nfs/dbraw/zinc/11/23/60/569112360.db2.gz IZEYSKJDWLZFQU-UHFFFAOYSA-N 1 2 423.538 4.256 50 0 HIAALO CCN(CC)c1cc(C(C)C)[nH+]c(SCc2cccc(C(=O)NCCOC)c2)n1 ZINC000006802249 569129784 /nfs/dbraw/zinc/12/97/84/569129784.db2.gz LBJDOWPTUZVWST-UHFFFAOYSA-N 1 2 416.591 4.115 50 0 HIAALO CC(C)CC(=O)N1CC[NH+]([C@H](C(=O)Nc2ccc(C(C)C)cc2)C2CCCC2)CC1 ZINC000036311747 569133341 /nfs/dbraw/zinc/13/33/41/569133341.db2.gz JCDBMDCCJTZMEU-DEOSSOPVSA-N 1 2 413.606 4.498 50 0 HIAALO O=C(C[N@@H+]1CCc2sccc2[C@@H]1c1cccs1)N1CCC(c2ccccc2)=N1 ZINC000036441044 569183956 /nfs/dbraw/zinc/18/39/56/569183956.db2.gz ZMLGSFFQWYTVNM-JOCHJYFZSA-N 1 2 407.564 4.394 50 0 HIAALO O=C(C[N@H+]1CCc2sccc2[C@@H]1c1cccs1)N1CCC(c2ccccc2)=N1 ZINC000036441044 569183957 /nfs/dbraw/zinc/18/39/57/569183957.db2.gz ZMLGSFFQWYTVNM-JOCHJYFZSA-N 1 2 407.564 4.394 50 0 HIAALO O=C(CC1CCCCC1)N1CCC[N@@H+](Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000065172413 569189759 /nfs/dbraw/zinc/18/97/59/569189759.db2.gz UEWKQOFWYWNGHU-UHFFFAOYSA-N 1 2 416.953 4.395 50 0 HIAALO O=C(CC1CCCCC1)N1CCC[N@H+](Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000065172413 569189760 /nfs/dbraw/zinc/18/97/60/569189760.db2.gz UEWKQOFWYWNGHU-UHFFFAOYSA-N 1 2 416.953 4.395 50 0 HIAALO CCC[NH+]1CCN(C(=O)c2sc(-c3cn(C(C)C)c4ncccc34)nc2C)CC1 ZINC000065240922 569203959 /nfs/dbraw/zinc/20/39/59/569203959.db2.gz AFVFMVFAMGCOPE-UHFFFAOYSA-N 1 2 411.575 4.217 50 0 HIAALO O=C(CC[C@@H]1CCCN(c2cc(NC3CC3)[nH+]cn2)C1)NCc1cccc(Cl)c1 ZINC000065245378 569205227 /nfs/dbraw/zinc/20/52/27/569205227.db2.gz KHMDAVCDZRJVOO-INIZCTEOSA-N 1 2 413.953 4.017 50 0 HIAALO O=C(CC[C@@H]1CCCN(c2cc(NC3CC3)nc[nH+]2)C1)NCc1cccc(Cl)c1 ZINC000065245378 569205228 /nfs/dbraw/zinc/20/52/28/569205228.db2.gz KHMDAVCDZRJVOO-INIZCTEOSA-N 1 2 413.953 4.017 50 0 HIAALO COc1ccccc1CC(=O)N1CCC[C@]2(C1)Nc1ccccc1NC2=[NH+]C(C)(C)C 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QSYXFLLCFIWZAW-UZLBHIALSA-N 1 2 413.587 4.248 50 0 HIAALO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000170610634 569245368 /nfs/dbraw/zinc/24/53/68/569245368.db2.gz QSYXFLLCFIWZAW-JXFKEZNVSA-N 1 2 413.587 4.248 50 0 HIAALO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000170610634 569245370 /nfs/dbraw/zinc/24/53/70/569245370.db2.gz QSYXFLLCFIWZAW-JXFKEZNVSA-N 1 2 413.587 4.248 50 0 HIAALO Cc1cc(C)c(S(=O)(=O)N[C@H](c2[nH+]ccn2C)c2ccc(Cl)cc2)c(C)c1 ZINC000017521368 569292553 /nfs/dbraw/zinc/29/25/53/569292553.db2.gz MPTOEDTZPSLFIE-SFHVURJKSA-N 1 2 403.935 4.067 50 0 HIAALO Cn1cccc1[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC000007856802 569314719 /nfs/dbraw/zinc/31/47/19/569314719.db2.gz DWKSCRYFTGOCCQ-QFIPXVFZSA-N 1 2 420.488 4.192 50 0 HIAALO Cn1cccc1[C@@H]1CCC[N@H+]1CC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC000007856802 569314720 /nfs/dbraw/zinc/31/47/20/569314720.db2.gz DWKSCRYFTGOCCQ-QFIPXVFZSA-N 1 2 420.488 4.192 50 0 HIAALO C[C@H](Cc1ccccc1)n1cc(NC(=O)Nc2ccc(Br)cc2)[o+]n1 ZINC000033827165 569357775 /nfs/dbraw/zinc/35/77/75/569357775.db2.gz KZJNWWXSTBOBLJ-CYBMUJFWSA-O 1 2 402.272 4.172 50 0 HIAALO Cc1ccccc1-c1nc(S(=O)(=O)c2ccccc2)c(NCCCn2cc[nH+]c2)o1 ZINC000012419304 569401065 /nfs/dbraw/zinc/40/10/65/569401065.db2.gz ABIXXUYHIWJBDO-UHFFFAOYSA-N 1 2 422.510 4.182 50 0 HIAALO CCc1ccc(NC(=O)CSc2[nH+]cnc3c2cnn3-c2ccc(C)cc2)cc1 ZINC000002447135 569401400 /nfs/dbraw/zinc/40/14/00/569401400.db2.gz RBEJYWPTEZJTHB-UHFFFAOYSA-N 1 2 403.511 4.417 50 0 HIAALO Cc1cccc(N2CCN(c3c(C(=O)N4CCCC4)c[nH+]c4ccc(F)cc43)CC2)c1 ZINC000067287971 571065699 /nfs/dbraw/zinc/06/56/99/571065699.db2.gz WHRWTYKRNGVSFD-UHFFFAOYSA-N 1 2 418.516 4.245 50 0 HIAALO Cn1c(=S)n(C[N@H+](C)[C@H]2CCCc3ccccc32)nc1[C@@H]1COc2ccccc2O1 ZINC000040040164 571142286 /nfs/dbraw/zinc/14/22/86/571142286.db2.gz HXUQNQNSBWEKRE-RXVVDRJESA-N 1 2 422.554 4.430 50 0 HIAALO Cn1c(=S)n(C[N@@H+](C)[C@H]2CCCc3ccccc32)nc1[C@@H]1COc2ccccc2O1 ZINC000040040164 571142287 /nfs/dbraw/zinc/14/22/87/571142287.db2.gz HXUQNQNSBWEKRE-RXVVDRJESA-N 1 2 422.554 4.430 50 0 HIAALO O=C(Nc1ccc(OC(F)F)c(Cl)c1)N1CC[NH+](Cc2cccs2)CC1 ZINC000040103233 571163624 /nfs/dbraw/zinc/16/36/24/571163624.db2.gz SFPPGGMPABFPER-UHFFFAOYSA-N 1 2 401.866 4.353 50 0 HIAALO O=C(Nc1cccc(C2SCCCS2)c1)N1CC[NH+](Cc2ccco2)CC1 ZINC000040104099 571164950 /nfs/dbraw/zinc/16/49/50/571164950.db2.gz NGFUCZMDKCXLOL-UHFFFAOYSA-N 1 2 403.573 4.498 50 0 HIAALO O=C(CSc1[nH+]cnc2c1cnn2-c1ccc(Cl)cc1)Nc1cccc(F)c1 ZINC000008969892 571194389 /nfs/dbraw/zinc/19/43/89/571194389.db2.gz SMRROKFAJAOXLS-UHFFFAOYSA-N 1 2 413.865 4.339 50 0 HIAALO Cc1c(C)n(-c2ccc(Br)cn2)c2nc[nH+]c(NCc3ccncc3)c12 ZINC000008993685 571207885 /nfs/dbraw/zinc/20/78/85/571207885.db2.gz HSYWPAMUVRZAPN-UHFFFAOYSA-N 1 2 409.291 4.202 50 0 HIAALO Clc1ccc(-n2nnnc2SCc2cn3cc(Br)ccc3[nH+]2)cc1 ZINC000009335371 571248927 /nfs/dbraw/zinc/24/89/27/571248927.db2.gz QBZCBXIYGYSGTJ-UHFFFAOYSA-N 1 2 421.711 4.018 50 0 HIAALO CCNc1cc(C)[nH+]c(Nc2ccc(NS(=O)(=O)c3cc(C)ccc3C)cc2)n1 ZINC000009572464 571269108 /nfs/dbraw/zinc/26/91/08/571269108.db2.gz UPZNBBOAZKDBDX-UHFFFAOYSA-N 1 2 411.531 4.378 50 0 HIAALO Cc1cc(N2CCCC2)nc(Nc2ccc(NC(=O)COc3ccccc3)cc2)[nH+]1 ZINC000009573340 571269281 /nfs/dbraw/zinc/26/92/81/571269281.db2.gz SXXQSUJBNNNBRY-UHFFFAOYSA-N 1 2 403.486 4.146 50 0 HIAALO O=C(C[N@@H+]1CCC[C@@H]1c1ccccc1)Nc1ccccc1I ZINC000010339699 571301025 /nfs/dbraw/zinc/30/10/25/571301025.db2.gz VQNNUEINQFOYAJ-QGZVFWFLSA-N 1 2 406.267 4.067 50 0 HIAALO O=C(C[N@H+]1CCC[C@@H]1c1ccccc1)Nc1ccccc1I ZINC000010339699 571301027 /nfs/dbraw/zinc/30/10/27/571301027.db2.gz VQNNUEINQFOYAJ-QGZVFWFLSA-N 1 2 406.267 4.067 50 0 HIAALO COc1ccc(C(=O)N(CCCn2cc[nH+]c2)c2nc3ccccc3s2)cc1OC ZINC000010337696 571301052 /nfs/dbraw/zinc/30/10/52/571301052.db2.gz QHTUNENSMIRTNW-UHFFFAOYSA-N 1 2 422.510 4.247 50 0 HIAALO CCOC(=O)c1nn(Cc2ccccc2)c2c1C[N@H+](Cc1c[nH]c3ccccc13)CC2 ZINC000014755062 845977448 /nfs/dbraw/zinc/97/74/48/845977448.db2.gz IAYRZKDJPWBDOR-UHFFFAOYSA-N 1 2 414.509 4.148 50 0 HIAALO CCOC(=O)c1nn(Cc2ccccc2)c2c1C[N@@H+](Cc1c[nH]c3ccccc13)CC2 ZINC000014755062 845977465 /nfs/dbraw/zinc/97/74/65/845977465.db2.gz IAYRZKDJPWBDOR-UHFFFAOYSA-N 1 2 414.509 4.148 50 0 HIAALO O=C(CN1CC[NH+](C/C=C\c2ccccc2)CC1)Nc1c(Cl)cccc1Cl ZINC000096355804 852547583 /nfs/dbraw/zinc/54/75/83/852547583.db2.gz ABPIQCVNPJEPSK-YVMONPNESA-N 1 2 404.341 4.263 50 0 HIAALO Cc1nc(N2CCN(C(=O)C3CCCC3)CC2)c(Cc2ccc(Cl)cc2)c(C)[nH+]1 ZINC000000697401 132231053 /nfs/dbraw/zinc/23/10/53/132231053.db2.gz WSUJEZLWCQTNBK-UHFFFAOYSA-N 1 2 412.965 4.176 50 0 HIAALO Cc1cc(N2CCN(c3cccc[nH+]3)CC2)n2ncc(-c3ccccc3Cl)c2n1 ZINC000006764591 132315314 /nfs/dbraw/zinc/31/53/14/132315314.db2.gz GWWXVIVVOYDMPC-UHFFFAOYSA-N 1 2 404.905 4.080 50 0 HIAALO O=C(C[NH+](Cc1cccs1)Cc1cccs1)N1CCN(c2ccccc2)CC1 ZINC000007245235 132322951 /nfs/dbraw/zinc/32/29/51/132322951.db2.gz XGCRHSCOKSEJRH-UHFFFAOYSA-N 1 2 411.596 4.161 50 0 HIAALO Oc1ccccc1N1CC[NH+](Cc2nc3ccccc3c(N3CCCCCC3)n2)CC1 ZINC000011911519 132352252 /nfs/dbraw/zinc/35/22/52/132352252.db2.gz HKPCENSQPQZCQL-UHFFFAOYSA-N 1 2 417.557 4.038 50 0 HIAALO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C[NH+]1CCN(c2ccccn2)CC1 ZINC000012755802 132366744 /nfs/dbraw/zinc/36/67/44/132366744.db2.gz ZDSPUYFWBIVGOF-UHFFFAOYSA-N 1 2 402.420 4.386 50 0 HIAALO COc1ccc(-c2c(C)oc3cc(OCC[NH+]4C[C@@H](C)O[C@H](C)C4)ccc3c2=O)cc1 ZINC000020591049 523079548 /nfs/dbraw/zinc/07/95/48/523079548.db2.gz ZXAGQKXAORSMBV-IAGOWNOFSA-N 1 2 423.509 4.265 50 0 HIAALO COc1ccc(Br)c(C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000032970941 523482123 /nfs/dbraw/zinc/48/21/23/523482123.db2.gz OQARUGKKOXVXKZ-CYBMUJFWSA-N 1 2 400.276 4.134 50 0 HIAALO CCc1ccc(Cl)c(CC)c1NC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000043389026 523952762 /nfs/dbraw/zinc/95/27/62/523952762.db2.gz CRYFOMVIQHVOQF-UHFFFAOYSA-N 1 2 402.926 4.018 50 0 HIAALO CCc1ccc(Cl)c(CC)c1NC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000043389019 523953185 /nfs/dbraw/zinc/95/31/85/523953185.db2.gz IXBZECNVELHXMS-UHFFFAOYSA-N 1 2 402.926 4.018 50 0 HIAALO O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(S(=O)(=O)Nc2cc[nH+]cc2)cc1 ZINC000032144543 527174878 /nfs/dbraw/zinc/17/48/78/527174878.db2.gz GJWUCMDVOWROJW-UHFFFAOYSA-N 1 2 422.293 4.442 50 0 HIAALO Cc1nc2sc3c(c2c2nc(-c4cccnc4)nn21)CC[N@@H+](Cc1ccccc1)C3 ZINC000020565789 527208001 /nfs/dbraw/zinc/20/80/01/527208001.db2.gz NHUQNWCWQIKZKB-UHFFFAOYSA-N 1 2 412.522 4.268 50 0 HIAALO Cc1nc2sc3c(c2c2nc(-c4cccnc4)nn21)CC[N@H+](Cc1ccccc1)C3 ZINC000020565789 527208009 /nfs/dbraw/zinc/20/80/09/527208009.db2.gz NHUQNWCWQIKZKB-UHFFFAOYSA-N 1 2 412.522 4.268 50 0 HIAALO CC(C)c1noc(C[NH+]2CCC([C@H]3CCCCCN3C(=O)c3ccccc3)CC2)n1 ZINC000071889287 557293655 /nfs/dbraw/zinc/29/36/55/557293655.db2.gz ZPQRDRVZPMHNMH-OAQYLSRUSA-N 1 2 410.562 4.490 50 0 HIAALO Cc1cccc(N2CC[NH+]([C@@H](C)C(=O)NCc3cccc(C(F)(F)F)c3)CC2)c1C ZINC000034684885 557388022 /nfs/dbraw/zinc/38/80/22/557388022.db2.gz PAZNOQZVAPFZHM-SFHVURJKSA-N 1 2 419.491 4.149 50 0 HIAALO CC(=O)O[C@H](COc1ccc(Br)cc1)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000002841763 557401400 /nfs/dbraw/zinc/40/14/00/557401400.db2.gz ZANJJNONUQVRMY-SFHVURJKSA-N 1 2 417.303 4.426 50 0 HIAALO C[N@@H+]1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)[C@H](c2ccccc2)C1 ZINC000035392760 557540001 /nfs/dbraw/zinc/54/00/01/557540001.db2.gz IFKMXSISMYVVDW-INIZCTEOSA-N 1 2 418.868 4.036 50 0 HIAALO C[N@H+]1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)[C@H](c2ccccc2)C1 ZINC000035392760 557540002 /nfs/dbraw/zinc/54/00/02/557540002.db2.gz IFKMXSISMYVVDW-INIZCTEOSA-N 1 2 418.868 4.036 50 0 HIAALO COc1ccc(S(=O)(=O)Nc2cccc(-c3cn4cccc(C)c4[nH+]3)c2)cc1OC ZINC000006142809 557690471 /nfs/dbraw/zinc/69/04/71/557690471.db2.gz QNNYPAYJOXCLMU-UHFFFAOYSA-N 1 2 423.494 4.128 50 0 HIAALO COc1ccc(-c2nc(CC(=O)N[C@H](C)c3ccc(-n4cc[nH+]c4)cc3)cs2)cc1 ZINC000008746485 557805274 /nfs/dbraw/zinc/80/52/74/557805274.db2.gz TVJZORZPSIMLTK-MRXNPFEDSA-N 1 2 418.522 4.424 50 0 HIAALO COc1ccc(C[NH+]2CCN([C@H](C)c3nnc(-c4ccc(C)cc4)o3)CC2)cc1F ZINC000022788391 557824314 /nfs/dbraw/zinc/82/43/14/557824314.db2.gz RHCHTEYOYQGXFG-QGZVFWFLSA-N 1 2 410.493 4.072 50 0 HIAALO COc1ccc(CN2CC[NH+]([C@H](C)c3nnc(-c4ccc(C)cc4)o3)CC2)cc1F ZINC000022788391 557824317 /nfs/dbraw/zinc/82/43/17/557824317.db2.gz RHCHTEYOYQGXFG-QGZVFWFLSA-N 1 2 410.493 4.072 50 0 HIAALO COc1ccc(Cl)cc1C(=O)NC[C@@H](c1ccco1)[N@@H+]1CCc2ccccc2C1 ZINC000022907098 557852488 /nfs/dbraw/zinc/85/24/88/557852488.db2.gz VJPPWFOLKCRAPQ-FQEVSTJZSA-N 1 2 410.901 4.471 50 0 HIAALO COc1ccc(Cl)cc1C(=O)NC[C@@H](c1ccco1)[N@H+]1CCc2ccccc2C1 ZINC000022907098 557852490 /nfs/dbraw/zinc/85/24/90/557852490.db2.gz VJPPWFOLKCRAPQ-FQEVSTJZSA-N 1 2 410.901 4.471 50 0 HIAALO Cc1oc(-c2cc3c(cc2Cl)OCO3)nc1C[N@@H+](Cc1cnn(C)c1)C(C)C ZINC000011813013 558277631 /nfs/dbraw/zinc/27/76/31/558277631.db2.gz SUIDDFYVTIWBKK-UHFFFAOYSA-N 1 2 402.882 4.176 50 0 HIAALO Cc1oc(-c2cc3c(cc2Cl)OCO3)nc1C[N@H+](Cc1cnn(C)c1)C(C)C ZINC000011813013 558277633 /nfs/dbraw/zinc/27/76/33/558277633.db2.gz SUIDDFYVTIWBKK-UHFFFAOYSA-N 1 2 402.882 4.176 50 0 HIAALO COc1ccc(Cl)cc1C(=O)[C@@H]1CCC[N@H+](Cc2nc3cc(F)ccc3[nH]2)C1 ZINC000019794699 558283987 /nfs/dbraw/zinc/28/39/87/558283987.db2.gz DNZKJFOHQUOMOX-CYBMUJFWSA-N 1 2 401.869 4.459 50 0 HIAALO COc1ccc(Cl)cc1C(=O)[C@@H]1CCC[N@@H+](Cc2nc3cc(F)ccc3[nH]2)C1 ZINC000019794699 558283988 /nfs/dbraw/zinc/28/39/88/558283988.db2.gz DNZKJFOHQUOMOX-CYBMUJFWSA-N 1 2 401.869 4.459 50 0 HIAALO O=S(=O)(N[C@H]1c2cccc3cccc(c23)[C@@H]1[NH2+]Cc1ccco1)c1ccccc1 ZINC000019811139 558286942 /nfs/dbraw/zinc/28/69/42/558286942.db2.gz KBCAJOAJIJDKQO-GOTSBHOMSA-N 1 2 404.491 4.297 50 0 HIAALO CSc1ccccc1OCc1cc(C(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)no1 ZINC000011935663 558299792 /nfs/dbraw/zinc/29/97/92/558299792.db2.gz ZECRATHLHKVHEI-LJQANCHMSA-N 1 2 414.531 4.017 50 0 HIAALO O=C(COc1ccc(-c2ccccc2)cc1)N1CC[NH+](Cc2ccccc2F)CC1 ZINC000019888701 558302147 /nfs/dbraw/zinc/30/21/47/558302147.db2.gz AZZBMTYJMXSCIU-UHFFFAOYSA-N 1 2 404.485 4.216 50 0 HIAALO CCOc1ccc2oc(=O)cc(CN3CC[NH+](Cc4ccc(Cl)cc4)CC3)c2c1 ZINC000020177592 558344005 /nfs/dbraw/zinc/34/40/05/558344005.db2.gz GFCOOTQLNPFQOT-UHFFFAOYSA-N 1 2 412.917 4.163 50 0 HIAALO CCOc1ccc2oc(=O)cc(C[NH+]3CCN(Cc4ccc(Cl)cc4)CC3)c2c1 ZINC000020177592 558344007 /nfs/dbraw/zinc/34/40/07/558344007.db2.gz GFCOOTQLNPFQOT-UHFFFAOYSA-N 1 2 412.917 4.163 50 0 HIAALO CC(C)Cc1ccc(-c2cc(C(=O)NCC[NH+]3CCOCC3)c3ccccc3n2)cc1 ZINC000020468839 558374117 /nfs/dbraw/zinc/37/41/17/558374117.db2.gz NOVWCNPYPYVSIR-UHFFFAOYSA-N 1 2 417.553 4.162 50 0 HIAALO Cc1ccc(-n2ncc3c2nc[nH+]c3SCC(=O)N2CCc3ccccc32)c(C)c1 ZINC000004341734 558425432 /nfs/dbraw/zinc/42/54/32/558425432.db2.gz MQQVREXJNHZTDL-UHFFFAOYSA-N 1 2 415.522 4.114 50 0 HIAALO CCOc1ccc(C[N@@H+]2CCc3nc(Nc4cccc(OC)c4)ncc3C2)cc1OC ZINC000021038389 558429950 /nfs/dbraw/zinc/42/99/50/558429950.db2.gz CMUXITRHLGYREY-UHFFFAOYSA-N 1 2 420.513 4.194 50 0 HIAALO CCOc1ccc(C[N@H+]2CCc3nc(Nc4cccc(OC)c4)ncc3C2)cc1OC ZINC000021038389 558429955 /nfs/dbraw/zinc/42/99/55/558429955.db2.gz CMUXITRHLGYREY-UHFFFAOYSA-N 1 2 420.513 4.194 50 0 HIAALO CCC[N@H+](CC(=O)N[C@H](C)c1ccc(F)cc1F)Cc1nnc(-c2cccs2)o1 ZINC000021582557 558442023 /nfs/dbraw/zinc/44/20/23/558442023.db2.gz NLJWOBICCXUBKB-CYBMUJFWSA-N 1 2 420.485 4.166 50 0 HIAALO CCC[N@@H+](CC(=O)N[C@H](C)c1ccc(F)cc1F)Cc1nnc(-c2cccs2)o1 ZINC000021582557 558442024 /nfs/dbraw/zinc/44/20/24/558442024.db2.gz NLJWOBICCXUBKB-CYBMUJFWSA-N 1 2 420.485 4.166 50 0 HIAALO Cc1nc2c(cnn2C(C)C)cc1C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000012790497 558465141 /nfs/dbraw/zinc/46/51/41/558465141.db2.gz NHNQUBQTJNSGHN-AWEZNQCLSA-N 1 2 412.563 4.261 50 0 HIAALO Cc1nc2c(cnn2C(C)C)cc1C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000012790497 558465145 /nfs/dbraw/zinc/46/51/45/558465145.db2.gz NHNQUBQTJNSGHN-AWEZNQCLSA-N 1 2 412.563 4.261 50 0 HIAALO Cc1ccc2oc(C(=O)Nc3nc(C[N@H+]4C[C@H](C)C[C@H](C)C4)cs3)cc(=O)c2c1 ZINC000022294784 558476838 /nfs/dbraw/zinc/47/68/38/558476838.db2.gz BMPKIOQRQXROAX-GASCZTMLSA-N 1 2 411.527 4.288 50 0 HIAALO Cc1ccc2oc(C(=O)Nc3nc(C[N@@H+]4C[C@H](C)C[C@H](C)C4)cs3)cc(=O)c2c1 ZINC000022294784 558476841 /nfs/dbraw/zinc/47/68/41/558476841.db2.gz BMPKIOQRQXROAX-GASCZTMLSA-N 1 2 411.527 4.288 50 0 HIAALO Cc1cc(C(=O)N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)c2ccccc2n1 ZINC000023146526 558538306 /nfs/dbraw/zinc/53/83/06/558538306.db2.gz LWNNBBKAWLFHFM-UHFFFAOYSA-N 1 2 409.917 4.033 50 0 HIAALO COC(=O)c1sc2[nH]c(C[N@H+](C)Cc3ccc(C(C)(C)C)cc3)nc(=O)c2c1C ZINC000023295970 558548025 /nfs/dbraw/zinc/54/80/25/558548025.db2.gz CBEUZUXSSVTULA-UHFFFAOYSA-N 1 2 413.543 4.009 50 0 HIAALO COC(=O)c1sc2[nH]c(C[N@@H+](C)Cc3ccc(C(C)(C)C)cc3)nc(=O)c2c1C ZINC000023295970 558548028 /nfs/dbraw/zinc/54/80/28/558548028.db2.gz CBEUZUXSSVTULA-UHFFFAOYSA-N 1 2 413.543 4.009 50 0 HIAALO CCCN1c2ccc(Br)cc2[C@@]2([NH2+]CCc3c4ccccc4[nH]c32)C1=O ZINC000013635280 558553825 /nfs/dbraw/zinc/55/38/25/558553825.db2.gz ZYLDVSOVLSWDHF-NRFANRHFSA-N 1 2 410.315 4.076 50 0 HIAALO CC1=C[C@](O)(C(F)(F)Cl)N(c2nc(-c3cccs3)cc(C(F)(F)F)n2)[NH2+]1 ZINC000013642989 558555988 /nfs/dbraw/zinc/55/59/88/558555988.db2.gz AIYVMNIAMQUSJA-LBPRGKRZSA-N 1 2 412.771 4.330 50 0 HIAALO C[N@@H+]1CCc2nc(NC(=O)c3cn(-c4ccccc4)nc3-c3cccs3)sc2C1 ZINC000023608191 558563446 /nfs/dbraw/zinc/56/34/46/558563446.db2.gz YELRSJHWJABUAZ-UHFFFAOYSA-N 1 2 421.551 4.298 50 0 HIAALO C[N@H+]1CCc2nc(NC(=O)c3cn(-c4ccccc4)nc3-c3cccs3)sc2C1 ZINC000023608191 558563449 /nfs/dbraw/zinc/56/34/49/558563449.db2.gz YELRSJHWJABUAZ-UHFFFAOYSA-N 1 2 421.551 4.298 50 0 HIAALO CC(C)c1cc(C(=O)N2CC[NH+](Cc3cccs3)CC2)c2cnn(C(C)C)c2n1 ZINC000023736460 558572094 /nfs/dbraw/zinc/57/20/94/558572094.db2.gz CKLFUMZPCJESCY-UHFFFAOYSA-N 1 2 411.575 4.155 50 0 HIAALO Cc1nc2cc(C(=O)N3CC[NH+](Cc4cccs4)CC3)ccc2n1-c1ccccc1 ZINC000023735223 558572196 /nfs/dbraw/zinc/57/21/96/558572196.db2.gz RIUGCRZGHBBOLF-UHFFFAOYSA-N 1 2 416.550 4.353 50 0 HIAALO O=C(COc1ccc(Cl)c2ccccc12)NCc1ccccc1C[NH+]1CCOCC1 ZINC000023873231 558579186 /nfs/dbraw/zinc/57/91/86/558579186.db2.gz PJAOPIRZSVHREB-UHFFFAOYSA-N 1 2 424.928 4.021 50 0 HIAALO O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1C[N@@H+]1CCC[C@H]1c1cccs1 ZINC000023936576 558581939 /nfs/dbraw/zinc/58/19/39/558581939.db2.gz LINHWCMBRLSXHM-FQEVSTJZSA-N 1 2 417.534 4.338 50 0 HIAALO O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1C[N@H+]1CCC[C@H]1c1cccs1 ZINC000023936576 558581941 /nfs/dbraw/zinc/58/19/41/558581941.db2.gz LINHWCMBRLSXHM-FQEVSTJZSA-N 1 2 417.534 4.338 50 0 HIAALO COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@H+](Cn1c3ccccc3oc1=O)CC2 ZINC000023936582 558581955 /nfs/dbraw/zinc/58/19/55/558581955.db2.gz VPQXRHXVKUKBIC-DEOSSOPVSA-N 1 2 416.477 4.217 50 0 HIAALO COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@@H+](Cn1c3ccccc3oc1=O)CC2 ZINC000023936582 558581957 /nfs/dbraw/zinc/58/19/57/558581957.db2.gz VPQXRHXVKUKBIC-DEOSSOPVSA-N 1 2 416.477 4.217 50 0 HIAALO Cc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3NCC[NH+]2CCOCC2)cc1 ZINC000024102722 558589237 /nfs/dbraw/zinc/58/92/37/558589237.db2.gz HGEGFGZCJVPOTN-UHFFFAOYSA-N 1 2 413.525 4.140 50 0 HIAALO Brc1ccc(-n2nnnc2[C@@H]([NH2+]Cc2ccccc2)c2ccccc2)cc1 ZINC000013942884 558605224 /nfs/dbraw/zinc/60/52/24/558605224.db2.gz KOJSPLOXRFIHCU-FQEVSTJZSA-N 1 2 420.314 4.304 50 0 HIAALO Brc1ccc(OCc2cccc(-c3[nH]n4cnc5nncc-5c4[nH+]3)c2)cc1 ZINC000013960068 558608395 /nfs/dbraw/zinc/60/83/95/558608395.db2.gz VNKDENZBNFPKRX-UHFFFAOYSA-N 1 2 421.258 4.009 50 0 HIAALO Cc1ccc(Sc2ncccc2C(=O)NCc2cccnc2-n2cc[nH+]c2)cc1C ZINC000024751616 558610057 /nfs/dbraw/zinc/61/00/57/558610057.db2.gz UTGIEHHPYJYVNI-UHFFFAOYSA-N 1 2 415.522 4.360 50 0 HIAALO O=c1[nH]c(C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)nc2c3ccccc3oc21 ZINC000024821861 558613654 /nfs/dbraw/zinc/61/36/54/558613654.db2.gz VEBJLOIWRIBJGG-MRXNPFEDSA-N 1 2 403.438 4.190 50 0 HIAALO O=c1[nH]c(C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)nc2c3ccccc3oc21 ZINC000024821861 558613657 /nfs/dbraw/zinc/61/36/57/558613657.db2.gz VEBJLOIWRIBJGG-MRXNPFEDSA-N 1 2 403.438 4.190 50 0 HIAALO O=C(Nc1ccc(-n2cc[nH+]c2)nc1)c1ccccc1C(=O)c1ccc(Cl)cc1 ZINC000025011276 558627124 /nfs/dbraw/zinc/62/71/24/558627124.db2.gz VJJKKLMHULKEEB-UHFFFAOYSA-N 1 2 402.841 4.404 50 0 HIAALO C[C@@H](NC(=O)Nc1cccc(C(F)(F)F)c1)[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000025514801 558642526 /nfs/dbraw/zinc/64/25/26/558642526.db2.gz DXOVRMHKWKICOH-BEFAXECRSA-N 1 2 407.436 4.289 50 0 HIAALO O[C@H](Cc1ccccc1)c1ccc2c(c1)C[N@@H+](Cc1ccc3c(c1)OCO3)CCO2 ZINC000014880627 558675924 /nfs/dbraw/zinc/67/59/24/558675924.db2.gz LAATXAWIRADJOI-JOCHJYFZSA-N 1 2 403.478 4.086 50 0 HIAALO O[C@H](Cc1ccccc1)c1ccc2c(c1)C[N@H+](Cc1ccc3c(c1)OCO3)CCO2 ZINC000014880627 558675928 /nfs/dbraw/zinc/67/59/28/558675928.db2.gz LAATXAWIRADJOI-JOCHJYFZSA-N 1 2 403.478 4.086 50 0 HIAALO CCc1nn2c(nc(C[NH2+][C@@H](c3cccs3)c3ccc4c(c3)CCC4)cc2=O)s1 ZINC000028651058 558702964 /nfs/dbraw/zinc/70/29/64/558702964.db2.gz SDXFLVAVZRIKSB-OAQYLSRUSA-N 1 2 422.579 4.143 50 0 HIAALO C[N@@H+]1CCN(C(=O)CSc2ccc(Br)cc2)[C@@H](c2ccccc2)C1 ZINC000030029384 558726380 /nfs/dbraw/zinc/72/63/80/558726380.db2.gz VOHWGUQQCCFSEW-GOSISDBHSA-N 1 2 405.361 4.057 50 0 HIAALO C[N@H+]1CCN(C(=O)CSc2ccc(Br)cc2)[C@@H](c2ccccc2)C1 ZINC000030029384 558726383 /nfs/dbraw/zinc/72/63/83/558726383.db2.gz VOHWGUQQCCFSEW-GOSISDBHSA-N 1 2 405.361 4.057 50 0 HIAALO O=C(c1ccc2c(c1)OCO2)N1CC[NH+](Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000030181539 558727896 /nfs/dbraw/zinc/72/78/96/558727896.db2.gz GIJLKLAZFZRWIC-UHFFFAOYSA-N 1 2 424.497 4.241 50 0 HIAALO Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1ccccc1)N(CCCn1cc[nH+]c1)C3=O ZINC000015671131 558748223 /nfs/dbraw/zinc/74/82/23/558748223.db2.gz QZHAEPXYAOQDAR-QFIPXVFZSA-N 1 2 413.477 4.242 50 0 HIAALO Cc1cc2oc(C(=O)NC[C@@H](c3ccco3)[NH+]3CCCCC3)cc(=O)c2cc1Cl ZINC000015859935 558757538 /nfs/dbraw/zinc/75/75/38/558757538.db2.gz BZRICZVHHLOORB-KRWDZBQOSA-N 1 2 414.889 4.305 50 0 HIAALO COc1cc(-c2[nH+]c3ccccn3c2Nc2ccc3c(c2)OCO3)cc(OC)c1O ZINC000035615887 558794505 /nfs/dbraw/zinc/79/45/05/558794505.db2.gz KHJGCLCFZMONDT-UHFFFAOYSA-N 1 2 405.410 4.196 50 0 HIAALO CCCc1ccc(S(=O)(=O)N2CC[NH+](Cc3ccc(C(C)(C)C)cc3)CC2)cc1 ZINC000017090113 558818739 /nfs/dbraw/zinc/81/87/39/558818739.db2.gz QEKNUZRQAXTBCT-UHFFFAOYSA-N 1 2 414.615 4.443 50 0 HIAALO CC(C)c1csc(C[N@@H+]2CCC[C@@H](N3CCN(c4ccc(F)cc4)CC3)C2)n1 ZINC000019223682 558852408 /nfs/dbraw/zinc/85/24/08/558852408.db2.gz ROQLYAGWGZESHR-HXUWFJFHSA-N 1 2 402.583 4.192 50 0 HIAALO CC(C)c1csc(C[N@H+]2CCC[C@@H](N3CCN(c4ccc(F)cc4)CC3)C2)n1 ZINC000019223682 558852411 /nfs/dbraw/zinc/85/24/11/558852411.db2.gz ROQLYAGWGZESHR-HXUWFJFHSA-N 1 2 402.583 4.192 50 0 HIAALO CCCOC(=O)c1ccc(NC(=O)N[C@H](c2[nH+]ccn2C)c2cccc(F)c2)cc1 ZINC000058003337 558894029 /nfs/dbraw/zinc/89/40/29/558894029.db2.gz GNDMVKRIDYDHNF-IBGZPJMESA-N 1 2 410.449 4.037 50 0 HIAALO COc1ccc(CSc2[nH+]ccc3c2ccn3CC(=O)NCc2ccco2)cc1 ZINC000033172283 558900986 /nfs/dbraw/zinc/90/09/86/558900986.db2.gz ULJNKNWHDLVURV-UHFFFAOYSA-N 1 2 407.495 4.247 50 0 HIAALO CC(C)CC(=O)Nc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)cc1 ZINC000058222909 558913181 /nfs/dbraw/zinc/91/31/81/558913181.db2.gz IPCVUBZFUQEDAO-JOCHJYFZSA-N 1 2 411.571 4.400 50 0 HIAALO O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)n1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000022996556 558971356 /nfs/dbraw/zinc/97/13/56/558971356.db2.gz SLNCDKPYYQNDMX-UHFFFAOYSA-N 1 2 417.353 4.077 50 0 HIAALO CCc1ccc(Cl)c(CC)c1NC(=O)C[N@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000011231905 558987178 /nfs/dbraw/zinc/98/71/78/558987178.db2.gz PSWSFQIEVPBSFU-UHFFFAOYSA-N 1 2 402.922 4.307 50 0 HIAALO CCc1ccc(Cl)c(CC)c1NC(=O)C[N@@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000011231905 558987180 /nfs/dbraw/zinc/98/71/80/558987180.db2.gz PSWSFQIEVPBSFU-UHFFFAOYSA-N 1 2 402.922 4.307 50 0 HIAALO Cc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[N@@H+](Cc2ccccc2)C3)cc1C ZINC000023153807 559021776 /nfs/dbraw/zinc/02/17/76/559021776.db2.gz LAENUEKSOGZKME-UHFFFAOYSA-N 1 2 419.550 4.274 50 0 HIAALO Cc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[N@H+](Cc2ccccc2)C3)cc1C ZINC000023153807 559021778 /nfs/dbraw/zinc/02/17/78/559021778.db2.gz LAENUEKSOGZKME-UHFFFAOYSA-N 1 2 419.550 4.274 50 0 HIAALO Cc1nc2n(n1)C(=O)C([C@@H](c1ccc(C)cc1)[NH+]1CCN(c3ccccc3)CC1)S2 ZINC000023156886 559022813 /nfs/dbraw/zinc/02/28/13/559022813.db2.gz IPEHGVJVBYOEKG-HXUWFJFHSA-N 1 2 419.554 4.025 50 0 HIAALO COc1cccc([C@@H]2C(C(=O)N3CCCCC3)=C(C)Nc3[nH+]c4ccccc4n32)c1 ZINC000004786873 559063998 /nfs/dbraw/zinc/06/39/98/559063998.db2.gz HILSVKMHHXMSFS-JOCHJYFZSA-N 1 2 402.498 4.346 50 0 HIAALO Fc1ccc([C@@H](OCCN2CC[NH+](Cc3ccccn3)CC2)c2ccccc2)cc1F ZINC000023310011 559115194 /nfs/dbraw/zinc/11/51/94/559115194.db2.gz WVOJTRZSVCHXCG-VWLOTQADSA-N 1 2 423.507 4.284 50 0 HIAALO COc1cc(-c2[nH+]c3ccccn3c2Nc2ccc3c(c2)OCO3)cc(OC)c1OC ZINC000004817801 559115661 /nfs/dbraw/zinc/11/56/61/559115661.db2.gz ONJRKWWYMXTVPB-UHFFFAOYSA-N 1 2 419.437 4.499 50 0 HIAALO COc1cccc(C(=O)N2CC[NH+]([C@@H](c3ccccc3)c3ccc(F)cc3)CC2)c1 ZINC000023318619 559125636 /nfs/dbraw/zinc/12/56/36/559125636.db2.gz KVHADDKXCWHRBH-DEOSSOPVSA-N 1 2 404.485 4.382 50 0 HIAALO S=C(Nc1ccc(Br)cc1Cl)N1CCN(c2cccc[nH+]2)CC1 ZINC000101060722 559142962 /nfs/dbraw/zinc/14/29/62/559142962.db2.gz FAJYEVKVSCTNFT-UHFFFAOYSA-N 1 2 411.756 4.017 50 0 HIAALO COc1cc2c(cc1OC)[C@@H](C)[N@H+](CC(=O)Nc1cccc(C(F)(F)F)c1)CC2 ZINC000005388744 560580273 /nfs/dbraw/zinc/58/02/73/560580273.db2.gz AZGLAFOENHTJSP-CYBMUJFWSA-N 1 2 408.420 4.280 50 0 HIAALO COc1cc2c(cc1OC)[C@@H](C)[N@@H+](CC(=O)Nc1cccc(C(F)(F)F)c1)CC2 ZINC000005388744 560580275 /nfs/dbraw/zinc/58/02/75/560580275.db2.gz AZGLAFOENHTJSP-CYBMUJFWSA-N 1 2 408.420 4.280 50 0 HIAALO COCCOc1ccc(C(F)(F)F)cc1NC(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000005627802 560634688 /nfs/dbraw/zinc/63/46/88/560634688.db2.gz HOUCPZGTSJMQOT-UHFFFAOYSA-N 1 2 407.392 4.027 50 0 HIAALO CCN1CC[NH+](CCCN(Cc2ccco2)C(=S)Nc2ccc(Cl)cc2)CC1 ZINC000101214061 560790095 /nfs/dbraw/zinc/79/00/95/560790095.db2.gz JHAJKFXBYGVRCK-UHFFFAOYSA-N 1 2 421.010 4.160 50 0 HIAALO CC(=O)[C@@H](Cc1ccccc1)NC(=O)C[N@@H+]1CCc2sccc2[C@H]1c1ccccc1 ZINC000103294526 560840802 /nfs/dbraw/zinc/84/08/02/560840802.db2.gz NDWVBXVQXBFCRA-RCZVLFRGSA-N 1 2 418.562 4.012 50 0 HIAALO CC(=O)[C@@H](Cc1ccccc1)NC(=O)C[N@H+]1CCc2sccc2[C@H]1c1ccccc1 ZINC000103294526 560840803 /nfs/dbraw/zinc/84/08/03/560840803.db2.gz NDWVBXVQXBFCRA-RCZVLFRGSA-N 1 2 418.562 4.012 50 0 HIAALO CC(C)OC(=O)Cc1nc(C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCCO3)cs1 ZINC000048313125 568439033 /nfs/dbraw/zinc/43/90/33/568439033.db2.gz GZMJMKRYWAEDKV-SFHVURJKSA-N 1 2 416.543 4.136 50 0 HIAALO CC(C)OC(=O)Cc1nc(C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCCO3)cs1 ZINC000048313125 568439034 /nfs/dbraw/zinc/43/90/34/568439034.db2.gz GZMJMKRYWAEDKV-SFHVURJKSA-N 1 2 416.543 4.136 50 0 HIAALO Cc1cc2nc(C)c(CCC(=O)Nc3cccc(-c4[nH]c(C)c(C)[nH+]4)c3)c(C)n2n1 ZINC000048374807 568442612 /nfs/dbraw/zinc/44/26/12/568442612.db2.gz BEOWDJDTQOPBTE-UHFFFAOYSA-N 1 2 402.502 4.233 50 0 HIAALO CC(=O)c1cccc(NC(=O)C[NH+]2CCC(c3nc(-c4cccc(C)c4)no3)CC2)c1 ZINC000049403217 568448225 /nfs/dbraw/zinc/44/82/25/568448225.db2.gz ZSVBHOZBRKJUBU-UHFFFAOYSA-N 1 2 418.497 4.066 50 0 HIAALO COc1ccc(-c2noc(C3CC[NH+](CC(=O)Nc4ccc(C)cc4F)CC3)n2)cc1 ZINC000049403485 568448381 /nfs/dbraw/zinc/44/83/81/568448381.db2.gz XTXDCOMUXVQRAW-UHFFFAOYSA-N 1 2 424.476 4.011 50 0 HIAALO Cc1onc(-c2ccccc2)c1-c1nnc(CN2CC[NH+](Cc3ccsc3)CC2)o1 ZINC000022790406 568499670 /nfs/dbraw/zinc/49/96/70/568499670.db2.gz GNPNQEGTUDLNPT-UHFFFAOYSA-N 1 2 421.526 4.079 50 0 HIAALO C[C@@H](NC(=O)c1ccco1)[C@H](c1cccs1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000020288919 568597749 /nfs/dbraw/zinc/59/77/49/568597749.db2.gz UTHZDDBVRIOCTD-IIBYNOLFSA-N 1 2 413.518 4.162 50 0 HIAALO C[C@H](NC(=O)c1ccco1)[C@@H](c1cccs1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000020288929 568597754 /nfs/dbraw/zinc/59/77/54/568597754.db2.gz UTHZDDBVRIOCTD-KKSFZXQISA-N 1 2 413.518 4.162 50 0 HIAALO C[C@H](NC(=O)c1ccco1)[C@H](c1cccs1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000020288922 568597757 /nfs/dbraw/zinc/59/77/57/568597757.db2.gz UTHZDDBVRIOCTD-HRAATJIYSA-N 1 2 413.518 4.162 50 0 HIAALO CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1c2ccccc2n(Cc2ccccc2C)c1C(=O)[O-] ZINC000020379320 568602452 /nfs/dbraw/zinc/60/24/52/568602452.db2.gz CKUNWMFPYKPPHN-HXUWFJFHSA-N 1 2 405.542 4.270 50 0 HIAALO CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1c2ccccc2n(Cc2ccccc2C)c1C(=O)[O-] ZINC000020379320 568602453 /nfs/dbraw/zinc/60/24/53/568602453.db2.gz CKUNWMFPYKPPHN-HXUWFJFHSA-N 1 2 405.542 4.270 50 0 HIAALO CC(C)CC(=O)Nc1cccc(C[NH2+]Cc2c(Cl)cccc2S(C)(=O)=O)c1 ZINC000095462202 568621272 /nfs/dbraw/zinc/62/12/72/568621272.db2.gz WVCNNIWQPANEDQ-UHFFFAOYSA-N 1 2 408.951 4.018 50 0 HIAALO C[C@@H](c1ccccn1)[NH+]1CCN(C(=O)c2cc3c(s2)-c2ccccc2CC3)CC1 ZINC000095943200 568662627 /nfs/dbraw/zinc/66/26/27/568662627.db2.gz ZPMNDZXAKVQCMZ-KRWDZBQOSA-N 1 2 403.551 4.428 50 0 HIAALO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)N[C@H](C)c3cccc(NC(C)=O)c3)c2C1 ZINC000095948631 568665741 /nfs/dbraw/zinc/66/57/41/568665741.db2.gz YZBWODPOZBSACR-MRXNPFEDSA-N 1 2 416.525 4.062 50 0 HIAALO CC[N@H+]1CCc2nc3ccccc3c(C(=O)N[C@H](C)c3cccc(NC(C)=O)c3)c2C1 ZINC000095948631 568665743 /nfs/dbraw/zinc/66/57/43/568665743.db2.gz YZBWODPOZBSACR-MRXNPFEDSA-N 1 2 416.525 4.062 50 0 HIAALO Cc1[nH+]c2ccccc2n1CCCNc1c(Br)cccc1S(C)(=O)=O ZINC000225816128 568676923 /nfs/dbraw/zinc/67/69/23/568676923.db2.gz RYXRKQRUNANXEY-UHFFFAOYSA-N 1 2 422.348 4.013 50 0 HIAALO Cc1ccc(Cc2c(C)[nH+]c(C3CC3)nc2N2CCN(C(=O)NC(C)(C)C)CC2)cc1 ZINC000096317146 568726274 /nfs/dbraw/zinc/72/62/74/568726274.db2.gz ZMBXXGJGLQEUJV-UHFFFAOYSA-N 1 2 421.589 4.192 50 0 HIAALO Cc1cccc(Cc2c(C)[nH+]c(C3CC3)nc2N2CCN(C(=O)C3CCC3)CC2)c1 ZINC000096317269 568726697 /nfs/dbraw/zinc/72/66/97/568726697.db2.gz YAMSFYFSURHOQS-UHFFFAOYSA-N 1 2 404.558 4.010 50 0 HIAALO Cc1ccc(-c2nc(C[N@@H+]3CCC[C@H](C(=O)Nc4c(F)cccc4F)C3)no2)cc1 ZINC000021724900 568751467 /nfs/dbraw/zinc/75/14/67/568751467.db2.gz ZBIRKWWUOJLXEL-INIZCTEOSA-N 1 2 412.440 4.174 50 0 HIAALO Cc1ccc(-c2nc(C[N@H+]3CCC[C@H](C(=O)Nc4c(F)cccc4F)C3)no2)cc1 ZINC000021724900 568751469 /nfs/dbraw/zinc/75/14/69/568751469.db2.gz ZBIRKWWUOJLXEL-INIZCTEOSA-N 1 2 412.440 4.174 50 0 HIAALO Cc1cc(NC(=O)C[NH+]2CCN(c3cccc(Cl)c3)CC2)ccc1Br ZINC000052537375 568769775 /nfs/dbraw/zinc/76/97/75/568769775.db2.gz HVHPPKZYQQOESV-UHFFFAOYSA-N 1 2 422.754 4.172 50 0 HIAALO COc1ccccc1N1CC[NH+](Cc2cc(=O)c(O[C@@H](C)c3ccccc3)co2)CC1 ZINC000056949855 568821905 /nfs/dbraw/zinc/82/19/05/568821905.db2.gz ZNYIAKXFTKVPDT-IBGZPJMESA-N 1 2 420.509 4.111 50 0 HIAALO Cc1ccc(Oc2ccc(NC(=O)C[NH+]3CCN(c4ccc(O)cc4)CC3)cc2)cc1 ZINC000057439646 568836871 /nfs/dbraw/zinc/83/68/71/568836871.db2.gz FKWCLBHOYHRAIZ-UHFFFAOYSA-N 1 2 417.509 4.254 50 0 HIAALO COc1ccc([C@H](NC(=O)c2sc(-c3ccsc3)nc2C)c2[nH+]ccn2C)cc1 ZINC000012520542 568841340 /nfs/dbraw/zinc/84/13/40/568841340.db2.gz BJONOMOTKIZICJ-KRWDZBQOSA-N 1 2 424.551 4.442 50 0 HIAALO COc1ccc([C@H](NC(=O)Cc2ccc(Cl)cc2Cl)c2[nH+]ccn2C)cc1 ZINC000012550217 568852586 /nfs/dbraw/zinc/85/25/86/568852586.db2.gz OJEMIZZUBTZYNY-IBGZPJMESA-N 1 2 404.297 4.184 50 0 HIAALO C[C@@H](NC(=O)[C@@H](C)Oc1ccc(Br)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000012551030 568853080 /nfs/dbraw/zinc/85/30/80/568853080.db2.gz KBVLJKLAYQKDEG-HUUCEWRRSA-N 1 2 414.303 4.280 50 0 HIAALO CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000012560198 568857502 /nfs/dbraw/zinc/85/75/02/568857502.db2.gz NWUQMSASUSKHOO-UZUQRXQVSA-N 1 2 400.482 4.014 50 0 HIAALO COC(=O)c1c(C)c2ccccc2nc1C[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000057688467 568858421 /nfs/dbraw/zinc/85/84/21/568858421.db2.gz FNKKJCSSSGRQKV-UHFFFAOYSA-N 1 2 409.917 4.305 50 0 HIAALO O=C(CN1CC[NH+](Cc2ccc(Cl)cc2)CC1)Nc1cc(Cl)ccc1Cl ZINC000058146777 568892168 /nfs/dbraw/zinc/89/21/68/568892168.db2.gz UWEZNBPOAFNSDR-UHFFFAOYSA-N 1 2 412.748 4.403 50 0 HIAALO COc1ccc([C@@H](NC(=O)c2csc(-c3ccsc3)n2)c2[nH+]ccn2C)cc1 ZINC000030983412 568907621 /nfs/dbraw/zinc/90/76/21/568907621.db2.gz RKXHGSBOWSDSAY-QGZVFWFLSA-N 1 2 410.524 4.133 50 0 HIAALO COc1ccc(NC(=O)C[N@H+](C)Cc2cc(=O)oc3cc(C)c(C(C)C)cc23)cc1 ZINC000003541591 568913841 /nfs/dbraw/zinc/91/38/41/568913841.db2.gz UPMZAVVCQQIYOH-UHFFFAOYSA-N 1 2 408.498 4.304 50 0 HIAALO COc1ccc(NC(=O)C[N@@H+](C)Cc2cc(=O)oc3cc(C)c(C(C)C)cc23)cc1 ZINC000003541591 568913842 /nfs/dbraw/zinc/91/38/42/568913842.db2.gz UPMZAVVCQQIYOH-UHFFFAOYSA-N 1 2 408.498 4.304 50 0 HIAALO O=C(C[N@@H+]1CCc2sccc2[C@@H]1c1cccs1)Nc1ccc2c(c1)OCCO2 ZINC000008000911 568967823 /nfs/dbraw/zinc/96/78/23/568967823.db2.gz CCRVODDRGSHVKQ-OAQYLSRUSA-N 1 2 412.536 4.167 50 0 HIAALO O=C(C[N@H+]1CCc2sccc2[C@@H]1c1cccs1)Nc1ccc2c(c1)OCCO2 ZINC000008000911 568967825 /nfs/dbraw/zinc/96/78/25/568967825.db2.gz CCRVODDRGSHVKQ-OAQYLSRUSA-N 1 2 412.536 4.167 50 0 HIAALO O=C(C[N@@H+]1CCc2sccc2[C@H]1c1cccs1)Nc1ccc2c(c1)OCCO2 ZINC000008000910 568967921 /nfs/dbraw/zinc/96/79/21/568967921.db2.gz CCRVODDRGSHVKQ-NRFANRHFSA-N 1 2 412.536 4.167 50 0 HIAALO O=C(C[N@H+]1CCc2sccc2[C@H]1c1cccs1)Nc1ccc2c(c1)OCCO2 ZINC000008000910 568967922 /nfs/dbraw/zinc/96/79/22/568967922.db2.gz CCRVODDRGSHVKQ-NRFANRHFSA-N 1 2 412.536 4.167 50 0 HIAALO COc1ccc(OC)c(Nc2ncc3c(n2)CC[N@@H+](Cc2ccccc2Cl)C3)c1 ZINC000015779087 569001732 /nfs/dbraw/zinc/00/17/32/569001732.db2.gz KOFVVEOXYWELAV-UHFFFAOYSA-N 1 2 410.905 4.449 50 0 HIAALO COc1ccc(OC)c(Nc2ncc3c(n2)CC[N@H+](Cc2ccccc2Cl)C3)c1 ZINC000015779087 569001734 /nfs/dbraw/zinc/00/17/34/569001734.db2.gz KOFVVEOXYWELAV-UHFFFAOYSA-N 1 2 410.905 4.449 50 0 HIAALO CCOc1ccc(C(=O)NC[C@@H](c2cccnc2)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000015882566 569019071 /nfs/dbraw/zinc/01/90/71/569019071.db2.gz GKRVWFFDKXICEI-DEOSSOPVSA-N 1 2 401.510 4.010 50 0 HIAALO CCOc1ccc(C(=O)NC[C@@H](c2cccnc2)[N@H+]2CCc3ccccc3C2)cc1 ZINC000015882566 569019072 /nfs/dbraw/zinc/01/90/72/569019072.db2.gz GKRVWFFDKXICEI-DEOSSOPVSA-N 1 2 401.510 4.010 50 0 HIAALO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)Nc3ccc4c(c3)OC(F)(F)O4)c2C1 ZINC000012908463 569021593 /nfs/dbraw/zinc/02/15/93/569021593.db2.gz PTVVKWRLOVGYLV-UHFFFAOYSA-N 1 2 411.408 4.187 50 0 HIAALO CC[N@H+]1CCc2nc3ccccc3c(C(=O)Nc3ccc4c(c3)OC(F)(F)O4)c2C1 ZINC000012908463 569021594 /nfs/dbraw/zinc/02/15/94/569021594.db2.gz PTVVKWRLOVGYLV-UHFFFAOYSA-N 1 2 411.408 4.187 50 0 HIAALO Cc1ccc(-n2cc(C3=CC[N@H+](CC(=O)Nc4ccc(F)cc4F)CC3)cn2)cc1 ZINC000035403702 569035615 /nfs/dbraw/zinc/03/56/15/569035615.db2.gz BSEPGZRBZJAOIM-UHFFFAOYSA-N 1 2 408.452 4.187 50 0 HIAALO Cc1ccc(-n2cc(C3=CC[N@@H+](CC(=O)Nc4ccc(F)cc4F)CC3)cn2)cc1 ZINC000035403702 569035616 /nfs/dbraw/zinc/03/56/16/569035616.db2.gz BSEPGZRBZJAOIM-UHFFFAOYSA-N 1 2 408.452 4.187 50 0 HIAALO Cc1ccc(-n2cc(C3=CC[N@H+](CC(=O)NC4CCCCCC4)CC3)cn2)cc1C ZINC000035403553 569035637 /nfs/dbraw/zinc/03/56/37/569035637.db2.gz SDYORBUPTJZHDN-UHFFFAOYSA-N 1 2 406.574 4.417 50 0 HIAALO Cc1ccc(-n2cc(C3=CC[N@@H+](CC(=O)NC4CCCCCC4)CC3)cn2)cc1C ZINC000035403553 569035638 /nfs/dbraw/zinc/03/56/38/569035638.db2.gz SDYORBUPTJZHDN-UHFFFAOYSA-N 1 2 406.574 4.417 50 0 HIAALO CCN(C(=O)C[N@H+]1CC=C(c2cnn(-c3ccccc3)c2)CC1)c1ccc(OC)cc1 ZINC000035404186 569035652 /nfs/dbraw/zinc/03/56/52/569035652.db2.gz RFBWVKPXQHDCTD-UHFFFAOYSA-N 1 2 416.525 4.023 50 0 HIAALO CCN(C(=O)C[N@@H+]1CC=C(c2cnn(-c3ccccc3)c2)CC1)c1ccc(OC)cc1 ZINC000035404186 569035653 /nfs/dbraw/zinc/03/56/53/569035653.db2.gz RFBWVKPXQHDCTD-UHFFFAOYSA-N 1 2 416.525 4.023 50 0 HIAALO O=C(CCC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)c1ccc(Cl)s1 ZINC000012912124 569040848 /nfs/dbraw/zinc/04/08/48/569040848.db2.gz ZRQQBNPXMCTTGL-QPJJXVBHSA-N 1 2 402.947 4.222 50 0 HIAALO Cc1nc(N2CCN(C(=O)CC(C)C)CC2)c(Cc2ccc(Cl)cc2)c(C)[nH+]1 ZINC000035768979 569058138 /nfs/dbraw/zinc/05/81/38/569058138.db2.gz ZSIWBZRFHVMABK-UHFFFAOYSA-N 1 2 400.954 4.032 50 0 HIAALO O=c1c2c(nc(SCCn3cc[nH+]c3)n1-c1ccccc1)sc1c2CCCC1 ZINC000006582970 569068005 /nfs/dbraw/zinc/06/80/05/569068005.db2.gz HXIYRAJHYDGBBK-UHFFFAOYSA-N 1 2 408.552 4.315 50 0 HIAALO Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)N(C)CCc3ccccc3)csc2C1 ZINC000426361280 569072590 /nfs/dbraw/zinc/07/25/90/569072590.db2.gz WLYFHKFQAKYYHP-UHFFFAOYSA-N 1 2 409.555 4.226 50 0 HIAALO Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)N(C)CCc3ccccc3)csc2C1 ZINC000426361280 569072591 /nfs/dbraw/zinc/07/25/91/569072591.db2.gz WLYFHKFQAKYYHP-UHFFFAOYSA-N 1 2 409.555 4.226 50 0 HIAALO Cc1ccc(S(=O)(=O)N(Cc2[nH+]ccn2Cc2cc(C)ccc2C)CC2CC2)cc1 ZINC000006689304 569089462 /nfs/dbraw/zinc/08/94/62/569089462.db2.gz QAXAJDJOUWVWKO-UHFFFAOYSA-N 1 2 423.582 4.458 50 0 HIAALO COCCN(Cc1[nH+]ccn1Cc1c(F)cccc1Cl)C(=O)c1cccc(F)c1 ZINC000006688989 569089485 /nfs/dbraw/zinc/08/94/85/569089485.db2.gz ZFKNWVFREXHRGF-UHFFFAOYSA-N 1 2 419.859 4.152 50 0 HIAALO CCOc1ccc(NC(=O)c2sc3nc4c(cc3c2N)C[N@H+](C(C)C)CC4)cc1 ZINC000006737124 569104842 /nfs/dbraw/zinc/10/48/42/569104842.db2.gz SMQJEURGHFXSHP-UHFFFAOYSA-N 1 2 410.543 4.296 50 0 HIAALO CCOc1ccc(NC(=O)c2sc3nc4c(cc3c2N)C[N@@H+](C(C)C)CC4)cc1 ZINC000006737124 569104843 /nfs/dbraw/zinc/10/48/43/569104843.db2.gz SMQJEURGHFXSHP-UHFFFAOYSA-N 1 2 410.543 4.296 50 0 HIAALO COc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)C[NH+]1CCN(c2ccccc2)CC1 ZINC000169681397 569127316 /nfs/dbraw/zinc/12/73/16/569127316.db2.gz FSWRJRLWBRGOIQ-UHFFFAOYSA-N 1 2 405.542 4.046 50 0 HIAALO CC[N@H+](CCCNC(=O)Cn1ncc2c1-c1cc(C)ccc1OC2)c1cccc(C)c1 ZINC000006803924 569130657 /nfs/dbraw/zinc/13/06/57/569130657.db2.gz CTCVUWLXQZEEHY-UHFFFAOYSA-N 1 2 418.541 4.092 50 0 HIAALO CC[N@@H+](CCCNC(=O)Cn1ncc2c1-c1cc(C)ccc1OC2)c1cccc(C)c1 ZINC000006803924 569130658 /nfs/dbraw/zinc/13/06/58/569130658.db2.gz CTCVUWLXQZEEHY-UHFFFAOYSA-N 1 2 418.541 4.092 50 0 HIAALO Cc1ccc2c(=O)c3c([nH]c2c1C)CC[N@H+](CC(=O)Nc1cccc(Cl)c1C)C3 ZINC000065034917 569158453 /nfs/dbraw/zinc/15/84/53/569158453.db2.gz HGAJWYWAUDXASH-UHFFFAOYSA-N 1 2 409.917 4.104 50 0 HIAALO Cc1ccc2c(=O)c3c([nH]c2c1C)CC[N@@H+](CC(=O)Nc1cccc(Cl)c1C)C3 ZINC000065034917 569158454 /nfs/dbraw/zinc/15/84/54/569158454.db2.gz HGAJWYWAUDXASH-UHFFFAOYSA-N 1 2 409.917 4.104 50 0 HIAALO O=C(NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)C1C[C@H]2CCC[C@@H](C1)C2=O ZINC000036390478 569165544 /nfs/dbraw/zinc/16/55/44/569165544.db2.gz TXDLIWQYOLSCMG-SQUIKTEWSA-N 1 2 422.594 4.359 50 0 HIAALO O=C(NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1)C1C[C@H]2CCC[C@@H](C1)C2=O ZINC000036390478 569165545 /nfs/dbraw/zinc/16/55/45/569165545.db2.gz TXDLIWQYOLSCMG-SQUIKTEWSA-N 1 2 422.594 4.359 50 0 HIAALO C[C@@H]1CCCC[C@@]12NC(=O)N(C[N@H+](C)[C@H](c1ccccc1)c1ccc(F)cc1)C2=O ZINC000036391050 569166721 /nfs/dbraw/zinc/16/67/21/569166721.db2.gz CFRJNZQOSDTPQO-NYQDVAGCSA-N 1 2 409.505 4.305 50 0 HIAALO C[C@@H]1CCCC[C@@]12NC(=O)N(C[N@@H+](C)[C@H](c1ccccc1)c1ccc(F)cc1)C2=O ZINC000036391050 569166722 /nfs/dbraw/zinc/16/67/22/569166722.db2.gz CFRJNZQOSDTPQO-NYQDVAGCSA-N 1 2 409.505 4.305 50 0 HIAALO COc1ccc(OC)c(NC(=O)C[N@@H+]2CCc3sccc3[C@H]2c2cccs2)c1 ZINC000036446969 569185119 /nfs/dbraw/zinc/18/51/19/569185119.db2.gz UEWIHMUVTSUABQ-NRFANRHFSA-N 1 2 414.552 4.413 50 0 HIAALO COc1ccc(OC)c(NC(=O)C[N@H+]2CCc3sccc3[C@H]2c2cccs2)c1 ZINC000036446969 569185120 /nfs/dbraw/zinc/18/51/20/569185120.db2.gz UEWIHMUVTSUABQ-NRFANRHFSA-N 1 2 414.552 4.413 50 0 HIAALO CC(=O)c1ccc(NC(=O)C[NH+]2CCC(c3nc(-c4cccc(C)c4)no3)CC2)cc1 ZINC000065184128 569191245 /nfs/dbraw/zinc/19/12/45/569191245.db2.gz MDTQAIDOJIQFEF-UHFFFAOYSA-N 1 2 418.497 4.066 50 0 HIAALO CCOc1ccccc1NC(=O)Cn1cc[nH+]c1-c1ccnc(N2CCC(C)CC2)c1 ZINC000065220588 569198125 /nfs/dbraw/zinc/19/81/25/569198125.db2.gz DJNZUNYKLUZZID-UHFFFAOYSA-N 1 2 419.529 4.219 50 0 HIAALO CCCNc1cc(N2CCC[C@@H](CCC(=O)Nc3ccc(OCC)cc3)C2)nc[nH+]1 ZINC000065244829 569204634 /nfs/dbraw/zinc/20/46/34/569204634.db2.gz VLBRVBZLXQFFNH-SFHVURJKSA-N 1 2 411.550 4.333 50 0 HIAALO CCCNc1cc(N2CCC[C@@H](CCC(=O)Nc3ccc(OCC)cc3)C2)[nH+]cn1 ZINC000065244829 569204635 /nfs/dbraw/zinc/20/46/35/569204635.db2.gz VLBRVBZLXQFFNH-SFHVURJKSA-N 1 2 411.550 4.333 50 0 HIAALO Cc1ccc(CNC(=O)C[N@@H+]2CCCC[C@@H]2c2nc(-c3cccc(F)c3)no2)cc1 ZINC000065250101 569206124 /nfs/dbraw/zinc/20/61/24/569206124.db2.gz UUOYSGOVMGYAPP-HXUWFJFHSA-N 1 2 408.477 4.028 50 0 HIAALO Cc1ccc(CNC(=O)C[N@H+]2CCCC[C@@H]2c2nc(-c3cccc(F)c3)no2)cc1 ZINC000065250101 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ZINC000011909360 558296446 /nfs/dbraw/zinc/29/64/46/558296446.db2.gz SXRZCQBJXDDWSF-NTCAYCPXSA-N 1 2 415.515 4.150 50 0 HIAALO C/C(=C\c1ccco1)C[N@H+](C)Cc1nc(-c2ccccc2NS(C)(=O)=O)oc1C ZINC000011909360 558296449 /nfs/dbraw/zinc/29/64/49/558296449.db2.gz SXRZCQBJXDDWSF-NTCAYCPXSA-N 1 2 415.515 4.150 50 0 HIAALO Cc1[nH]c2ccccc2c1C(=O)CSC(=S)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019859336 558296993 /nfs/dbraw/zinc/29/69/93/558296993.db2.gz FXTHTUSWDZBKRP-UHFFFAOYSA-N 1 2 423.607 4.495 50 0 HIAALO COc1cccc(C(=O)N2CC[NH+](Cc3cccc(Oc4ccccc4)c3)CC2)c1 ZINC000019900052 558304870 /nfs/dbraw/zinc/30/48/70/558304870.db2.gz DFORRFMTGYLOEQ-UHFFFAOYSA-N 1 2 402.494 4.446 50 0 HIAALO CCc1ccc(S(=O)(=O)N2CC[NH+](Cc3ccc(C(C)(C)C)cc3)CC2)cc1 ZINC000020212437 558347922 /nfs/dbraw/zinc/34/79/22/558347922.db2.gz YOEBYFZPEYDQOA-UHFFFAOYSA-N 1 2 400.588 4.053 50 0 HIAALO Cc1cccn2c(C[N@@H+]3CCCC[C@H]3c3ccccn3)c(C(=O)N3CCCCC3)nc12 ZINC000020232473 558350166 /nfs/dbraw/zinc/35/01/66/558350166.db2.gz CSHLIUDCGLBWKB-NRFANRHFSA-N 1 2 417.557 4.391 50 0 HIAALO Cc1cccn2c(C[N@H+]3CCCC[C@H]3c3ccccn3)c(C(=O)N3CCCCC3)nc12 ZINC000020232473 558350169 /nfs/dbraw/zinc/35/01/69/558350169.db2.gz CSHLIUDCGLBWKB-NRFANRHFSA-N 1 2 417.557 4.391 50 0 HIAALO COc1ccc(-c2nn(-c3ccccc3C)cc2C[N@H+](C)Cc2nonc2C)cc1F ZINC000020271555 558353213 /nfs/dbraw/zinc/35/32/13/558353213.db2.gz VDPVZBJXPCPBJK-UHFFFAOYSA-N 1 2 421.476 4.319 50 0 HIAALO COc1ccc(-c2nn(-c3ccccc3C)cc2C[N@@H+](C)Cc2nonc2C)cc1F ZINC000020271555 558353215 /nfs/dbraw/zinc/35/32/15/558353215.db2.gz VDPVZBJXPCPBJK-UHFFFAOYSA-N 1 2 421.476 4.319 50 0 HIAALO Cc1ccc2[nH]c(=O)c3cc(C(=O)N4CC[NH+](Cc5ccccc5)CC4)sc3c2c1 ZINC000020356856 558357396 /nfs/dbraw/zinc/35/73/96/558357396.db2.gz GZZXOOCSJRKPIT-UHFFFAOYSA-N 1 2 417.534 4.009 50 0 HIAALO CCCc1nc2sc3c(ncnc3SCC[NH+]3CCOCC3)c2c2c1CCC2 ZINC000020443619 558363742 /nfs/dbraw/zinc/36/37/42/558363742.db2.gz PEWOLZSRMYAKHW-UHFFFAOYSA-N 1 2 414.600 4.105 50 0 HIAALO Cc1ccc(Cl)cc1-n1ncc2c1nc[nH+]c2N1CCN(c2ccc(F)cc2)CC1 ZINC000020662156 558397838 /nfs/dbraw/zinc/39/78/38/558397838.db2.gz VQWIMQWWTYEAAK-UHFFFAOYSA-N 1 2 422.895 4.243 50 0 HIAALO Cc1cc(C)cc(NC(=O)CSc2[nH+]cnc3c2cnn3-c2ccc(F)cc2)c1 ZINC000004341529 558425000 /nfs/dbraw/zinc/42/50/00/558425000.db2.gz ROPCHGDOSFSGDC-UHFFFAOYSA-N 1 2 407.474 4.302 50 0 HIAALO Cc1ccc(NC(=O)CSc2[nH+]cnc3c2cnn3-c2ccc(F)cc2)c(C)c1 ZINC000004341526 558425036 /nfs/dbraw/zinc/42/50/36/558425036.db2.gz JTSNFSMHEMBMCF-UHFFFAOYSA-N 1 2 407.474 4.302 50 0 HIAALO Clc1ccc(-c2nnc(SCC[NH+]3CCOCC3)n2-c2ccccc2)cc1 ZINC000021225145 558434229 /nfs/dbraw/zinc/43/42/29/558434229.db2.gz FDBIMFHJDUYBAW-UHFFFAOYSA-N 1 2 400.935 4.012 50 0 HIAALO O=C([C@H]1Cc2ccccc2S1)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000021435749 558438181 /nfs/dbraw/zinc/43/81/81/558438181.db2.gz DGVLHDHCFFCFLE-LJQANCHMSA-N 1 2 406.473 4.067 50 0 HIAALO O=S(=O)(c1ccccc1)N(Cc1cn2cc(Cl)ccc2[nH+]1)Cc1ccccc1 ZINC000012628322 558440799 /nfs/dbraw/zinc/44/07/99/558440799.db2.gz UOVQBXPUUZTQFQ-UHFFFAOYSA-N 1 2 411.914 4.379 50 0 HIAALO CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCC[N@H+](CC)c1ccccc1 ZINC000072067219 558447652 /nfs/dbraw/zinc/44/76/52/558447652.db2.gz UQVDYFWCLSQETF-YKSBVNFPSA-N 1 2 421.585 4.019 50 0 HIAALO CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCC[N@@H+](CC)c1ccccc1 ZINC000072067219 558447653 /nfs/dbraw/zinc/44/76/53/558447653.db2.gz UQVDYFWCLSQETF-YKSBVNFPSA-N 1 2 421.585 4.019 50 0 HIAALO Cc1ccc(Nc2cc(N3CCN(C(=O)Nc4cccc(C)c4)CC3)[nH+]c(C)n2)cc1 ZINC000021795322 558449589 /nfs/dbraw/zinc/44/95/89/558449589.db2.gz SUARSXZZDAGTQP-UHFFFAOYSA-N 1 2 416.529 4.500 50 0 HIAALO COc1ccc2cc(CNC(=O)N3CC[NH+](Cc4ccccc4F)CC3)ccc2c1 ZINC000022426837 558488811 /nfs/dbraw/zinc/48/88/11/558488811.db2.gz IHFATKPKWXBINM-UHFFFAOYSA-N 1 2 407.489 4.015 50 0 HIAALO COc1ccc(C[N@H+](C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(OC)c1 ZINC000013075497 558512059 /nfs/dbraw/zinc/51/20/59/558512059.db2.gz IVDVEGVFQAOAOQ-UHFFFAOYSA-N 1 2 416.827 4.447 50 0 HIAALO COc1ccc(C[N@@H+](C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(OC)c1 ZINC000013075497 558512061 /nfs/dbraw/zinc/51/20/61/558512061.db2.gz IVDVEGVFQAOAOQ-UHFFFAOYSA-N 1 2 416.827 4.447 50 0 HIAALO O=C(N[C@@H](C[NH+]1CCOCC1)c1ccccc1)c1ccc(OCc2ccccc2)cc1 ZINC000023873018 558578872 /nfs/dbraw/zinc/57/88/72/558578872.db2.gz JJSMETXKHICYPF-VWLOTQADSA-N 1 2 416.521 4.069 50 0 HIAALO C[C@@H](c1ccc(Cl)cc1Cl)[N@H+](C)CC(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC000032777561 558600945 /nfs/dbraw/zinc/60/09/45/558600945.db2.gz MNCJLXBCAKHMAS-ZDUSSCGKSA-N 1 2 408.329 4.327 50 0 HIAALO C[C@@H](c1ccc(Cl)cc1Cl)[N@@H+](C)CC(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC000032777561 558600947 /nfs/dbraw/zinc/60/09/47/558600947.db2.gz MNCJLXBCAKHMAS-ZDUSSCGKSA-N 1 2 408.329 4.327 50 0 HIAALO c1[nH]c2ccccc2c1-c1nnc(SC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)o1 ZINC000014023160 558614481 /nfs/dbraw/zinc/61/44/81/558614481.db2.gz LMDHOODRSCSGJN-KRWDZBQOSA-N 1 2 406.511 4.211 50 0 HIAALO c1[nH]c2ccccc2c1-c1nnc(SC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)o1 ZINC000014023160 558614484 /nfs/dbraw/zinc/61/44/84/558614484.db2.gz LMDHOODRSCSGJN-KRWDZBQOSA-N 1 2 406.511 4.211 50 0 HIAALO O=C(Cc1ccc(-c2ccccc2)cc1)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000014129145 558623741 /nfs/dbraw/zinc/62/37/41/558623741.db2.gz QPGSARGXCYPUOM-VWLOTQADSA-N 1 2 400.522 4.086 50 0 HIAALO O=C(Nc1cc(Cl)ccc1Cl)[C@@H]1CCC[N@@H+]1CCn1c(=O)oc2ccccc21 ZINC000026605028 558663594 /nfs/dbraw/zinc/66/35/94/558663594.db2.gz AXTQXTFZMHOIKU-KRWDZBQOSA-N 1 2 420.296 4.004 50 0 HIAALO O=C(Nc1cc(Cl)ccc1Cl)[C@@H]1CCC[N@H+]1CCn1c(=O)oc2ccccc21 ZINC000026605028 558663596 /nfs/dbraw/zinc/66/35/96/558663596.db2.gz AXTQXTFZMHOIKU-KRWDZBQOSA-N 1 2 420.296 4.004 50 0 HIAALO COc1cccc(NC(=O)C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3)cc2)c1 ZINC000011011159 558669656 /nfs/dbraw/zinc/66/96/56/558669656.db2.gz WOAVJLWMOZEVMB-UHFFFAOYSA-N 1 2 403.482 4.018 50 0 HIAALO COc1cccc(NC(=O)C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3)cc2)c1 ZINC000011011159 558669659 /nfs/dbraw/zinc/66/96/59/558669659.db2.gz WOAVJLWMOZEVMB-UHFFFAOYSA-N 1 2 403.482 4.018 50 0 HIAALO COc1ccc(C(=O)[C@H]2CCC[N@H+](Cc3nc4c(s3)CCCC4)C2)cc1OC ZINC000014948087 558680073 /nfs/dbraw/zinc/68/00/73/558680073.db2.gz POLQNFFDMGUHGW-INIZCTEOSA-N 1 2 400.544 4.134 50 0 HIAALO COc1ccc(C(=O)[C@H]2CCC[N@@H+](Cc3nc4c(s3)CCCC4)C2)cc1OC ZINC000014948087 558680075 /nfs/dbraw/zinc/68/00/75/558680075.db2.gz POLQNFFDMGUHGW-INIZCTEOSA-N 1 2 400.544 4.134 50 0 HIAALO O=C(NC[C@@H](c1ccc(Cl)cc1)[NH+]1CCCCC1)c1cc(=O)c2ccccc2o1 ZINC000028289114 558695958 /nfs/dbraw/zinc/69/59/58/558695958.db2.gz BPSUAIHBEBVGTO-IBGZPJMESA-N 1 2 410.901 4.403 50 0 HIAALO CCN(C(=O)Cn1c2ccccc2[nH+]c1NC[C@@H](C)O)c1cccc2ccccc21 ZINC000028914700 558706999 /nfs/dbraw/zinc/70/69/99/558706999.db2.gz RHIVHFYKZOJUIZ-QGZVFWFLSA-N 1 2 402.498 4.035 50 0 HIAALO Cc1nc([C@H](C)[NH2+]Cc2c(C(=O)N3CCCCC3)nc3c(C)cccn23)c(C)s1 ZINC000015066848 558709892 /nfs/dbraw/zinc/70/98/92/558709892.db2.gz JAAQGUOJZWPCFD-HNNXBMFYSA-N 1 2 411.575 4.193 50 0 HIAALO Cn1c(C[N@H+](C)Cc2cccc3ncccc23)nnc1SCCOc1ccccc1 ZINC000015070435 558712235 /nfs/dbraw/zinc/71/22/35/558712235.db2.gz FVLRIKOEGLFRNU-UHFFFAOYSA-N 1 2 419.554 4.166 50 0 HIAALO Cn1c(C[N@@H+](C)Cc2cccc3ncccc23)nnc1SCCOc1ccccc1 ZINC000015070435 558712239 /nfs/dbraw/zinc/71/22/39/558712239.db2.gz FVLRIKOEGLFRNU-UHFFFAOYSA-N 1 2 419.554 4.166 50 0 HIAALO Cc1ccc(S(=O)(=O)c2ccc(CN3CC[NH+](Cc4ccccc4)CC3)cc2)cc1 ZINC000029692352 558719019 /nfs/dbraw/zinc/71/90/19/558719019.db2.gz FZTONRYQHBTPBS-UHFFFAOYSA-N 1 2 420.578 4.146 50 0 HIAALO COc1ccc(Nc2ncc3c(n2)CC[N@@H+](Cc2cccc(Cl)c2)C3)c(OC)c1 ZINC000015778937 558753005 /nfs/dbraw/zinc/75/30/05/558753005.db2.gz IADGEGZZKYNZQU-UHFFFAOYSA-N 1 2 410.905 4.449 50 0 HIAALO COc1ccc(Nc2ncc3c(n2)CC[N@H+](Cc2cccc(Cl)c2)C3)c(OC)c1 ZINC000015778937 558753009 /nfs/dbraw/zinc/75/30/09/558753009.db2.gz IADGEGZZKYNZQU-UHFFFAOYSA-N 1 2 410.905 4.449 50 0 HIAALO CCOc1ccc(C[N@@H+]2CCc3nc(Nc4ccc(OC)cc4)ncc3C2)cc1OC ZINC000015778883 558753040 /nfs/dbraw/zinc/75/30/40/558753040.db2.gz FRESQMDFAHYGFK-UHFFFAOYSA-N 1 2 420.513 4.194 50 0 HIAALO CCOc1ccc(C[N@H+]2CCc3nc(Nc4ccc(OC)cc4)ncc3C2)cc1OC ZINC000015778883 558753044 /nfs/dbraw/zinc/75/30/44/558753044.db2.gz FRESQMDFAHYGFK-UHFFFAOYSA-N 1 2 420.513 4.194 50 0 HIAALO COc1ccc([C@@H](NC(=O)CSCc2ccccc2Cl)c2[nH+]ccn2C)cc1 ZINC000016476284 558793312 /nfs/dbraw/zinc/79/33/12/558793312.db2.gz JPUZIHWRLDMBMS-HXUWFJFHSA-N 1 2 415.946 4.221 50 0 HIAALO COC(=O)c1ccccc1Nc1c(-c2cc(OC)c(O)c(OC)c2)[nH+]c2ccccn21 ZINC000035606451 558794186 /nfs/dbraw/zinc/79/41/86/558794186.db2.gz DPZNZDPOHNFTOH-UHFFFAOYSA-N 1 2 419.437 4.254 50 0 HIAALO C[N@H+](CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1)Cc1cccc(Cl)c1 ZINC000016632175 558797198 /nfs/dbraw/zinc/79/71/98/558797198.db2.gz QQFAKCVXNOIACR-UHFFFAOYSA-N 1 2 423.826 4.010 50 0 HIAALO C[N@@H+](CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1)Cc1cccc(Cl)c1 ZINC000016632175 558797200 /nfs/dbraw/zinc/79/72/00/558797200.db2.gz QQFAKCVXNOIACR-UHFFFAOYSA-N 1 2 423.826 4.010 50 0 HIAALO CCCc1nnsc1C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000036353675 558799288 /nfs/dbraw/zinc/79/92/88/558799288.db2.gz SMVLCGWGHRZQJM-UHFFFAOYSA-N 1 2 406.555 4.038 50 0 HIAALO CN1CC[NH+]([C@@H](CNC(=O)Cc2ccc(-c3ccccc3)cc2)c2cccs2)CC1 ZINC000032983772 558804784 /nfs/dbraw/zinc/80/47/84/558804784.db2.gz ZDVSJBHTIVUMIU-QHCPKHFHSA-N 1 2 419.594 4.063 50 0 HIAALO C[C@@H](CCc1ccccc1)NC(=O)C1CCN(c2[nH+]cccc2-n2cccc2)CC1 ZINC000033034603 558858737 /nfs/dbraw/zinc/85/87/37/558858737.db2.gz YEIXSJAUUSMKQO-FQEVSTJZSA-N 1 2 402.542 4.226 50 0 HIAALO O=C([C@@H]1CCCN(c2[nH]c3ccccc3[nH+]2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000033071647 558866644 /nfs/dbraw/zinc/86/66/44/558866644.db2.gz OHJIJUKYJDKPED-OAQYLSRUSA-N 1 2 402.542 4.261 50 0 HIAALO COc1cc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)cc(Br)c1O ZINC000055543373 558882099 /nfs/dbraw/zinc/88/20/99/558882099.db2.gz BYFSAKLIOWWFHQ-UHFFFAOYSA-N 1 2 411.727 4.139 50 0 HIAALO Cc1ccc(N2CC[NH+](CCNC(=S)Nc3cccc(C)c3C)CC2)c(Cl)c1 ZINC000055545171 558882189 /nfs/dbraw/zinc/88/21/89/558882189.db2.gz LMJJKLYQUYSLGW-UHFFFAOYSA-N 1 2 417.022 4.374 50 0 HIAALO C[C@H](NC(=O)C[N@@H+]1CCCC[C@@H]1c1nc2ccccc2s1)c1ccc2c(c1)OCO2 ZINC000058160645 558905343 /nfs/dbraw/zinc/90/53/43/558905343.db2.gz NTVXCWQEDWERLV-MAUKXSAKSA-N 1 2 423.538 4.429 50 0 HIAALO C[C@H](NC(=O)C[N@H+]1CCCC[C@@H]1c1nc2ccccc2s1)c1ccc2c(c1)OCO2 ZINC000058160645 558905346 /nfs/dbraw/zinc/90/53/46/558905346.db2.gz NTVXCWQEDWERLV-MAUKXSAKSA-N 1 2 423.538 4.429 50 0 HIAALO CCCN(C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCOCC1)[C@@H]1CCc2ccccc21 ZINC000058173522 558908565 /nfs/dbraw/zinc/90/85/65/558908565.db2.gz BLNRHGRTMKUTRJ-JWQCQUIFSA-N 1 2 421.585 4.477 50 0 HIAALO COc1coc(C[N@@H+]2CCC[C@H](C(=O)c3ccc(-c4ccccc4)cc3)C2)cc1=O ZINC000071775525 558911524 /nfs/dbraw/zinc/91/15/24/558911524.db2.gz LULILKZFEJONJR-NRFANRHFSA-N 1 2 403.478 4.410 50 0 HIAALO COc1coc(C[N@H+]2CCC[C@H](C(=O)c3ccc(-c4ccccc4)cc3)C2)cc1=O ZINC000071775525 558911527 /nfs/dbraw/zinc/91/15/27/558911527.db2.gz LULILKZFEJONJR-NRFANRHFSA-N 1 2 403.478 4.410 50 0 HIAALO COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000058218012 558912789 /nfs/dbraw/zinc/91/27/89/558912789.db2.gz QOVISVNVQXWJMQ-LJQANCHMSA-N 1 2 420.296 4.024 50 0 HIAALO CC(C)CC(=O)Nc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)cc1 ZINC000058222912 558913258 /nfs/dbraw/zinc/91/32/58/558913258.db2.gz IPCVUBZFUQEDAO-QFIPXVFZSA-N 1 2 411.571 4.400 50 0 HIAALO CC[C@@H](C)NC(=O)c1ccc2cc[nH+]c(N3CCN(c4ccccc4F)CC3)c2c1 ZINC000065002328 558968782 /nfs/dbraw/zinc/96/87/82/558968782.db2.gz CPQCCYCKCOBXFI-QGZVFWFLSA-N 1 2 406.505 4.229 50 0 HIAALO CCc1ccc2nc(N(CCC[NH+]3CCOCC3)C(=O)c3cccs3)sc2c1 ZINC000022997589 558981958 /nfs/dbraw/zinc/98/19/58/558981958.db2.gz FVLFSXHEJZMPDQ-UHFFFAOYSA-N 1 2 415.584 4.289 50 0 HIAALO O=C(c1nc2sccn2c1C[N@H+]1CCCC[C@H]1c1cccc(F)c1)N1CCCC1 ZINC000067833815 558993526 /nfs/dbraw/zinc/99/35/26/558993526.db2.gz DXQIMMMCWBONNW-SFHVURJKSA-N 1 2 412.534 4.498 50 0 HIAALO O=C(c1nc2sccn2c1C[N@@H+]1CCCC[C@H]1c1cccc(F)c1)N1CCCC1 ZINC000067833815 558993527 /nfs/dbraw/zinc/99/35/27/558993527.db2.gz DXQIMMMCWBONNW-SFHVURJKSA-N 1 2 412.534 4.498 50 0 HIAALO C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+](C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000011343630 559057558 /nfs/dbraw/zinc/05/75/58/559057558.db2.gz ICNJYTMZDCNLPB-KRWDZBQOSA-N 1 2 412.493 4.368 50 0 HIAALO C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[N@@H+](C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000011343630 559057559 /nfs/dbraw/zinc/05/75/59/559057559.db2.gz ICNJYTMZDCNLPB-KRWDZBQOSA-N 1 2 412.493 4.368 50 0 HIAALO Cc1cccc(-c2nc(C[NH+]3CCC(C(=O)Nc4c(F)cccc4F)CC3)no2)c1 ZINC000033327691 559060469 /nfs/dbraw/zinc/06/04/69/559060469.db2.gz UKUQMRJITDQGRX-UHFFFAOYSA-N 1 2 412.440 4.174 50 0 HIAALO COc1cccc(-c2ccccc2NC(=O)C2CCN(c3cc(C)[nH+]cn3)CC2)c1 ZINC000095511353 559084044 /nfs/dbraw/zinc/08/40/44/559084044.db2.gz INBISSAANPGYST-UHFFFAOYSA-N 1 2 402.498 4.316 50 0 HIAALO Cc1cc(C[N@@H+]2CCC[C@H]2C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)on1 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424.476 4.011 50 0 HIAALO COc1ccc(CCNc2[nH+]cnc3c2cnn3-c2cc(Cl)ccc2C)cc1OC ZINC000017121546 569275147 /nfs/dbraw/zinc/27/51/47/569275147.db2.gz CMLOQRKVRLRYGI-UHFFFAOYSA-N 1 2 423.904 4.449 50 0 HIAALO Cc1cccc(NC(=O)Nc2ccc(Nc3nc(N4CCOCC4)cc(C)[nH+]3)cc2)c1 ZINC000017135392 569275229 /nfs/dbraw/zinc/27/52/29/569275229.db2.gz OHQOOVSUNBPGCD-UHFFFAOYSA-N 1 2 418.501 4.318 50 0 HIAALO C[C@@H]1CCCC[C@]12NC(=O)N(C[N@H+](C)[C@H](c1ccccc1)c1ccc(F)cc1)C2=O ZINC000252444139 569285976 /nfs/dbraw/zinc/28/59/76/569285976.db2.gz CFRJNZQOSDTPQO-JKHABCDFSA-N 1 2 409.505 4.305 50 0 HIAALO C[C@@H]1CCCC[C@]12NC(=O)N(C[N@@H+](C)[C@H](c1ccccc1)c1ccc(F)cc1)C2=O ZINC000252444139 569285978 /nfs/dbraw/zinc/28/59/78/569285978.db2.gz CFRJNZQOSDTPQO-JKHABCDFSA-N 1 2 409.505 4.305 50 0 HIAALO C[N@H+](CC(=O)Nc1ccc(OCc2ccccc2)cc1)Cc1ccc2c(c1)OCO2 ZINC000007639307 569298035 /nfs/dbraw/zinc/29/80/35/569298035.db2.gz LXXZRVJBPNVQDS-UHFFFAOYSA-N 1 2 404.466 4.065 50 0 HIAALO C[N@@H+](CC(=O)Nc1ccc(OCc2ccccc2)cc1)Cc1ccc2c(c1)OCO2 ZINC000007639307 569298036 /nfs/dbraw/zinc/29/80/36/569298036.db2.gz LXXZRVJBPNVQDS-UHFFFAOYSA-N 1 2 404.466 4.065 50 0 HIAALO Cn1cccc1[C@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC000007856807 569314784 /nfs/dbraw/zinc/31/47/84/569314784.db2.gz DWKSCRYFTGOCCQ-JOCHJYFZSA-N 1 2 420.488 4.192 50 0 HIAALO Cn1cccc1[C@H]1CCC[N@H+]1CC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC000007856807 569314785 /nfs/dbraw/zinc/31/47/85/569314785.db2.gz DWKSCRYFTGOCCQ-JOCHJYFZSA-N 1 2 420.488 4.192 50 0 HIAALO C[C@H]1Oc2ccccc2O[C@H]1C(=O)NCC1CCC(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000038671652 571060574 /nfs/dbraw/zinc/06/05/74/571060574.db2.gz XRUANUHFTXMMAE-AGSBLZOASA-N 1 2 405.498 4.181 50 0 HIAALO Cc1ccc(N2CCN(c3c(C(=O)N4CCCC4)c[nH+]c4ccc(F)cc43)CC2)cc1 ZINC000067288025 571065626 /nfs/dbraw/zinc/06/56/26/571065626.db2.gz DSMPXFDBPPHKMJ-UHFFFAOYSA-N 1 2 418.516 4.245 50 0 HIAALO O=C(c1c[nH+]c2ccc(F)cc2c1N1CCN(c2ccccc2F)CC1)N1CCCC1 ZINC000067287991 571065785 /nfs/dbraw/zinc/06/57/85/571065785.db2.gz OWLUUGPWVFZLIF-UHFFFAOYSA-N 1 2 422.479 4.076 50 0 HIAALO O=C(c1c[nH+]c2ccc(F)cc2c1NCc1ccc2c(c1)OCO2)N1CCCCC1 ZINC000067288470 571066278 /nfs/dbraw/zinc/06/62/78/571066278.db2.gz NSPIPADBMYXASS-UHFFFAOYSA-N 1 2 407.445 4.341 50 0 HIAALO CC1CC[NH+](Cc2csc(NC(=O)c3ccc(OC[C@@H]4CCCO4)cc3)n2)CC1 ZINC000008756707 571113647 /nfs/dbraw/zinc/11/36/47/571113647.db2.gz RCQONVFNMRWFNU-FQEVSTJZSA-N 1 2 415.559 4.185 50 0 HIAALO Cc1cc(CN2CC[NH+]([C@@H](C(=O)c3c[nH]c4ccccc43)c3ccccc3)CC2)no1 ZINC000039530295 571132804 /nfs/dbraw/zinc/13/28/04/571132804.db2.gz LXLBLBDMMSERTL-XMMPIXPASA-N 1 2 414.509 4.206 50 0 HIAALO C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000069056399 571180848 /nfs/dbraw/zinc/18/08/48/571180848.db2.gz PDMONCODNSXZOW-KRZKXXONSA-N 1 2 417.475 4.363 50 0 HIAALO O=C1c2ccccc2N[C@H](c2ccc(-n3cc[nH+]c3)cc2)N1Cc1ccc2c(c1)OCO2 ZINC000009218951 571237947 /nfs/dbraw/zinc/23/79/47/571237947.db2.gz GPRCNOKRLTUXFA-DEOSSOPVSA-N 1 2 424.460 4.368 50 0 HIAALO O=C(NCCc1cn2ccccc2[nH+]1)c1cc(-c2ccccc2)nn1-c1ccccc1 ZINC000010355914 571301251 /nfs/dbraw/zinc/30/12/51/571301251.db2.gz RQEFFFQUFCYSGR-UHFFFAOYSA-N 1 2 407.477 4.160 50 0 HIAALO COc1ccc2nc(N(CCCn3cc[nH+]c3)C(=O)Cc3ccc(F)cc3)sc2c1 ZINC000010381582 571301568 /nfs/dbraw/zinc/30/15/68/571301568.db2.gz CAZKGYMEVXGVKK-UHFFFAOYSA-N 1 2 424.501 4.307 50 0 HIAALO O=C(Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)[C@H]1Cc2ccccc2S1 ZINC000010420990 571302202 /nfs/dbraw/zinc/30/22/02/571302202.db2.gz ORVGQCVGTKDJIW-LJQANCHMSA-N 1 2 407.564 4.357 50 0 HIAALO O=C(Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)[C@H]1Cc2ccccc2S1 ZINC000010420990 571302203 /nfs/dbraw/zinc/30/22/03/571302203.db2.gz ORVGQCVGTKDJIW-LJQANCHMSA-N 1 2 407.564 4.357 50 0 HIAALO CC(=O)c1cc(C(=O)NCC[N@H+]2Cc3ccccc3O[C@@H](c3ccccc3)C2)cs1 ZINC000011788775 845833807 /nfs/dbraw/zinc/83/38/07/845833807.db2.gz FHNFAPXLHRLFKF-JOCHJYFZSA-N 1 2 420.534 4.316 50 0 HIAALO CC(=O)c1cc(C(=O)NCC[N@@H+]2Cc3ccccc3O[C@@H](c3ccccc3)C2)cs1 ZINC000011788775 845833811 /nfs/dbraw/zinc/83/38/11/845833811.db2.gz FHNFAPXLHRLFKF-JOCHJYFZSA-N 1 2 420.534 4.316 50 0 HIAALO O=C(NCc1ccccc1)c1nnc(/C(Cl)=C/c2ccc(-n3cc[nH+]c3)cc2)s1 ZINC000012579704 845877105 /nfs/dbraw/zinc/87/71/05/845877105.db2.gz APFZCXMBFGFABH-PDGQHHTCSA-N 1 2 421.913 4.391 50 0 HIAALO CCC[C@H](NC(=O)[C@@H](C)N1CC[NH+](C/C=C\c2ccccc2)CC1)c1ccccc1 ZINC000096845242 852556194 /nfs/dbraw/zinc/55/61/94/852556194.db2.gz PXAONHLXWDLOMQ-HVTKXYDZSA-N 1 2 405.586 4.364 50 0 HIAALO Cc1nc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)c(Cc2ccccc2)c(C)[nH+]1 ZINC000000694092 132231065 /nfs/dbraw/zinc/23/10/65/132231065.db2.gz HFOLKXNDJJUKHK-UHFFFAOYSA-N 1 2 420.944 4.300 50 0 HIAALO Fc1cc(C[NH+]2CCN(c3ccccn3)CC2)c2c(c1)CO[C@@H](c1ccsc1)O2 ZINC000008132632 132327710 /nfs/dbraw/zinc/32/77/10/132327710.db2.gz FESZMZIBURXGPY-JOCHJYFZSA-N 1 2 411.502 4.212 50 0 HIAALO CCCOc1c(Cl)cc(/C=C/C(=O)N[C@@H]2CCC[C@H]2n2cc[nH+]c2)cc1OC ZINC000032915552 520293169 /nfs/dbraw/zinc/29/31/69/520293169.db2.gz ZIMMXSJRGRBRQC-HNGSOEQISA-N 1 2 403.910 4.257 50 0 HIAALO CCOC(=O)c1c2cc(OC)ccc2oc1C[NH+]1CCN(c2ccccc2C)CC1 ZINC000000968992 521420574 /nfs/dbraw/zinc/42/05/74/521420574.db2.gz XPSMLKHTQKJUAF-UHFFFAOYSA-N 1 2 408.498 4.249 50 0 HIAALO COc1c2c(c(NC(=O)c3ccc(-c4ccccc4)cc3)c3c1C[N@H+](C)CC3)OCO2 ZINC000032124465 521885286 /nfs/dbraw/zinc/88/52/86/521885286.db2.gz GEGMCGWXWZZODT-UHFFFAOYSA-N 1 2 416.477 4.331 50 0 HIAALO COc1c2c(c(NC(=O)c3ccc(-c4ccccc4)cc3)c3c1C[N@@H+](C)CC3)OCO2 ZINC000032124465 521885295 /nfs/dbraw/zinc/88/52/95/521885295.db2.gz GEGMCGWXWZZODT-UHFFFAOYSA-N 1 2 416.477 4.331 50 0 HIAALO Cn1c(=S)n(C[N@H+](C)[C@@H]2CCCc3ccccc32)nc1[C@H]1COc2ccccc2O1 ZINC000032899420 523619584 /nfs/dbraw/zinc/61/95/84/523619584.db2.gz HXUQNQNSBWEKRE-WIYYLYMNSA-N 1 2 422.554 4.430 50 0 HIAALO Cn1c(=S)n(C[N@@H+](C)[C@@H]2CCCc3ccccc32)nc1[C@H]1COc2ccccc2O1 ZINC000032899420 523619595 /nfs/dbraw/zinc/61/95/95/523619595.db2.gz HXUQNQNSBWEKRE-WIYYLYMNSA-N 1 2 422.554 4.430 50 0 HIAALO COc1ccccc1[C@H](NC(=O)c1cc2c([nH]1)c(C)c(C)cc2C)c1[nH+]ccn1C ZINC000032905119 524797771 /nfs/dbraw/zinc/79/77/71/524797771.db2.gz YMKKGRJWMKAAEO-QFIPXVFZSA-N 1 2 402.498 4.355 50 0 HIAALO Cc1c(-c2ccc(Cl)cc2)nn2c1nc(C)cc2N1CCN(c2cccc[nH+]2)CC1 ZINC000040216978 525505617 /nfs/dbraw/zinc/50/56/17/525505617.db2.gz DWRCMLKYMTWDIB-UHFFFAOYSA-N 1 2 418.932 4.388 50 0 HIAALO Cc1ccnc(SCC(=O)Nc2ccc(CCc3[nH+]c4ccccc4n3C)cc2)n1 ZINC000032960863 525708032 /nfs/dbraw/zinc/70/80/32/525708032.db2.gz JFCOSXZLJCCYDQ-UHFFFAOYSA-N 1 2 417.538 4.188 50 0 HIAALO Cc1ccc([C@@H](CNc2nc(-c3cccnc3)nc3ccccc32)[NH+]2CCOCC2)o1 ZINC000032853498 525764536 /nfs/dbraw/zinc/76/45/36/525764536.db2.gz WVOYADKTEBJMSE-OAQYLSRUSA-N 1 2 415.497 4.079 50 0 HIAALO Cc1nn2c(nc(-c3ccccc3)cc2NCC[NH+]2CCOCC2)c1-c1ccccc1 ZINC000020547551 526310451 /nfs/dbraw/zinc/31/04/51/526310451.db2.gz FEWASQQIXIWIKY-UHFFFAOYSA-N 1 2 413.525 4.116 50 0 HIAALO O=C(NCc1ccccc1Cn1cc[nH+]c1)c1ccccc1C(=O)c1ccc(F)cc1 ZINC000032754681 526749977 /nfs/dbraw/zinc/74/99/77/526749977.db2.gz ZERGPJZDRFRHSX-UHFFFAOYSA-N 1 2 413.452 4.232 50 0 HIAALO CCOC(=O)c1c[nH+]c2ccc(OCC)cc2c1N1CCN(c2ccccc2)CC1 ZINC000004192450 535715641 /nfs/dbraw/zinc/71/56/41/535715641.db2.gz ILTDMXMXERGEPX-UHFFFAOYSA-N 1 2 405.498 4.137 50 0 HIAALO Cc1nc2n(n1)C(=O)C([C@@H](c1cccc(Br)c1)[NH+]1CCCCC1)S2 ZINC000022625997 557077660 /nfs/dbraw/zinc/07/76/60/557077660.db2.gz DFQJUVOCJJMKHE-CQSZACIVSA-N 1 2 407.337 4.143 50 0 HIAALO COc1ccc(CC(=O)N[C@H]2CCN(c3[nH+]c4ccccc4n3C3CCCC3)C2)cc1 ZINC000034907201 557474282 /nfs/dbraw/zinc/47/42/82/557474282.db2.gz ICSCIEAOOSQRMY-IBGZPJMESA-N 1 2 418.541 4.098 50 0 HIAALO COc1ccc(NC(=O)[C@@H]([NH2+]Cc2cn3ccccc3n2)c2ccccc2)cc1Cl ZINC000008746309 557805258 /nfs/dbraw/zinc/80/52/58/557805258.db2.gz OLLOLIIYSKZSTK-QFIPXVFZSA-N 1 2 420.900 4.466 50 0 HIAALO NC(=O)[C@H](c1ccccc1)N1CC[NH+]([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000097527631 557816832 /nfs/dbraw/zinc/81/68/32/557816832.db2.gz VSIWMBNGRXAYHT-RPWUZVMVSA-N 1 2 419.956 4.274 50 0 HIAALO Cc1ccccc1C(=O)Nc1ccccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019791133 558282634 /nfs/dbraw/zinc/28/26/34/558282634.db2.gz ZTSLOIQXCGHIAA-UHFFFAOYSA-N 1 2 413.521 4.205 50 0 HIAALO C[C@H](c1ccon1)[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2 ZINC000011879466 558294022 /nfs/dbraw/zinc/29/40/22/558294022.db2.gz QZDVAKHXDCPQNM-MRXNPFEDSA-N 1 2 402.454 4.449 50 0 HIAALO C[C@H](c1ccon1)[N@@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2 ZINC000011879466 558294024 /nfs/dbraw/zinc/29/40/24/558294024.db2.gz QZDVAKHXDCPQNM-MRXNPFEDSA-N 1 2 402.454 4.449 50 0 HIAALO CCCCn1c2ccccc2n(C[C@H](O)COc2ccc(Cl)cc2Cl)c1=[NH2+] ZINC000020065192 558330333 /nfs/dbraw/zinc/33/03/33/558330333.db2.gz CNKHQPJUNDHCBB-HNNXBMFYSA-N 1 2 408.329 4.469 50 0 HIAALO COc1ccccc1OCCn1c2ccccc2n(CCOc2ccc(F)cc2)c1=[NH2+] ZINC000020069520 558330610 /nfs/dbraw/zinc/33/06/10/558330610.db2.gz LMIKXUPVQSHLFR-UHFFFAOYSA-N 1 2 421.472 4.228 50 0 HIAALO Cc1ccc(S(=O)(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c(C)c1 ZINC000020357072 558357627 /nfs/dbraw/zinc/35/76/27/558357627.db2.gz GLIBDIXOSYREHQ-UHFFFAOYSA-N 1 2 420.578 4.399 50 0 HIAALO Cc1ccc(C)c(NC(=S)N(CCC[NH+]2CCOCC2)Cc2cccc(F)c2)c1 ZINC000020357209 558357681 /nfs/dbraw/zinc/35/76/81/558357681.db2.gz KNVBMZMIRCVISP-UHFFFAOYSA-N 1 2 415.578 4.364 50 0 HIAALO Cc1cc(OCc2cc(C(=O)N(Cc3[nH+]ccn3C)C(C)C)no2)cc(C)c1Cl ZINC000012444557 558413099 /nfs/dbraw/zinc/41/30/99/558413099.db2.gz PRZMSGWVYQGRCY-UHFFFAOYSA-N 1 2 416.909 4.308 50 0 HIAALO Cc1[nH]c(CN2CCC[C@@H]2C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)c[nH+]1 ZINC000012446714 558414386 /nfs/dbraw/zinc/41/43/86/558414386.db2.gz TUQSOPCRMIQZGB-HXUWFJFHSA-N 1 2 401.470 4.129 50 0 HIAALO Cc1[nH]cc(CN2CCC[C@@H]2C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)[nH+]1 ZINC000012446714 558414389 /nfs/dbraw/zinc/41/43/89/558414389.db2.gz TUQSOPCRMIQZGB-HXUWFJFHSA-N 1 2 401.470 4.129 50 0 HIAALO Cc1ccc(C[N@@H+](C)Cc2nnc(SCCCO)n2-c2cccc(Cl)c2)s1 ZINC000020859048 558417632 /nfs/dbraw/zinc/41/76/32/558417632.db2.gz ISCVINLDIOPSAR-UHFFFAOYSA-N 1 2 423.007 4.397 50 0 HIAALO Cc1ccc(C[N@H+](C)Cc2nnc(SCCCO)n2-c2cccc(Cl)c2)s1 ZINC000020859048 558417634 /nfs/dbraw/zinc/41/76/34/558417634.db2.gz ISCVINLDIOPSAR-UHFFFAOYSA-N 1 2 423.007 4.397 50 0 HIAALO Cc1cc(C)n(-c2ccc(NC(=O)[C@@H]3CCCC[N@H+]3Cc3cnc(C)s3)cc2)n1 ZINC000020860967 558417639 /nfs/dbraw/zinc/41/76/39/558417639.db2.gz OBDJTLBSWIOECW-NRFANRHFSA-N 1 2 409.559 4.247 50 0 HIAALO Cc1cc(C)n(-c2ccc(NC(=O)[C@@H]3CCCC[N@@H+]3Cc3cnc(C)s3)cc2)n1 ZINC000020860967 558417642 /nfs/dbraw/zinc/41/76/42/558417642.db2.gz OBDJTLBSWIOECW-NRFANRHFSA-N 1 2 409.559 4.247 50 0 HIAALO Cc1ccc(NC(=O)CSc2[nH+]cnc3c2cnn3-c2ccc(C)cc2C)cc1 ZINC000004341739 558425488 /nfs/dbraw/zinc/42/54/88/558425488.db2.gz KKPDHQYJAJOJFI-UHFFFAOYSA-N 1 2 403.511 4.472 50 0 HIAALO COc1cccc([C@@H]2c3[nH]c4ccccc4c3CC[N@H+]2CCCn2cccn2)c1OC ZINC000012712036 558452969 /nfs/dbraw/zinc/45/29/69/558452969.db2.gz IEMIVPZAFVXEHJ-XMMPIXPASA-N 1 2 416.525 4.419 50 0 HIAALO COc1cccc([C@@H]2c3[nH]c4ccccc4c3CC[N@@H+]2CCCn2cccn2)c1OC ZINC000012712036 558452970 /nfs/dbraw/zinc/45/29/70/558452970.db2.gz IEMIVPZAFVXEHJ-XMMPIXPASA-N 1 2 416.525 4.419 50 0 HIAALO COc1cccc(OC[C@H]2CCC[N@H+](Cc3nc(CCc4ccccc4)no3)C2)c1 ZINC000012755548 558460167 /nfs/dbraw/zinc/46/01/67/558460167.db2.gz FHWKWBHVBGSPCF-FQEVSTJZSA-N 1 2 407.514 4.154 50 0 HIAALO COc1cccc(OC[C@H]2CCC[N@@H+](Cc3nc(CCc4ccccc4)no3)C2)c1 ZINC000012755548 558460169 /nfs/dbraw/zinc/46/01/69/558460169.db2.gz FHWKWBHVBGSPCF-FQEVSTJZSA-N 1 2 407.514 4.154 50 0 HIAALO Cc1ccc2oc(C(=O)Nc3nc(C[NH+]4C[C@H](C)C[C@@H](C)C4)cs3)cc(=O)c2c1 ZINC000022294782 558476808 /nfs/dbraw/zinc/47/68/08/558476808.db2.gz BMPKIOQRQXROAX-HUUCEWRRSA-N 1 2 411.527 4.288 50 0 HIAALO O=C(C[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1)Nc1cc(Cl)ccc1Cl ZINC000012981777 558493600 /nfs/dbraw/zinc/49/36/00/558493600.db2.gz LZODGWWAMXBVLN-CQSZACIVSA-N 1 2 406.313 4.283 50 0 HIAALO O=C(C[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1)Nc1cc(Cl)ccc1Cl ZINC000012981777 558493602 /nfs/dbraw/zinc/49/36/02/558493602.db2.gz LZODGWWAMXBVLN-CQSZACIVSA-N 1 2 406.313 4.283 50 0 HIAALO CCOC(=O)c1oc2ccccc2c1C[N@H+](C)CC(=O)Nc1ccc(Cl)cc1 ZINC000013062229 558510006 /nfs/dbraw/zinc/51/00/06/558510006.db2.gz YJYWNEBEOLDCPF-UHFFFAOYSA-N 1 2 400.862 4.333 50 0 HIAALO CCOC(=O)c1oc2ccccc2c1C[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1 ZINC000013062229 558510009 /nfs/dbraw/zinc/51/00/09/558510009.db2.gz YJYWNEBEOLDCPF-UHFFFAOYSA-N 1 2 400.862 4.333 50 0 HIAALO COc1ccc(C[N@H+](C)CC(=O)N2CC[C@H](C)Sc3ccccc32)c(OC)c1 ZINC000013063328 558510543 /nfs/dbraw/zinc/51/05/43/558510543.db2.gz ZJRHWOASUZZFHR-INIZCTEOSA-N 1 2 400.544 4.053 50 0 HIAALO COc1ccc(C[N@@H+](C)CC(=O)N2CC[C@H](C)Sc3ccccc32)c(OC)c1 ZINC000013063328 558510545 /nfs/dbraw/zinc/51/05/45/558510545.db2.gz ZJRHWOASUZZFHR-INIZCTEOSA-N 1 2 400.544 4.053 50 0 HIAALO COc1ccc(F)cc1C[NH+]1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC000022816557 558514669 /nfs/dbraw/zinc/51/46/69/558514669.db2.gz PLNHVKRBUAYJFH-UHFFFAOYSA-N 1 2 415.509 4.415 50 0 HIAALO Cc1ccccc1NC(=O)[C@@H](C)N1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000022913991 558520843 /nfs/dbraw/zinc/52/08/43/558520843.db2.gz KXIUZZOOQRHSDL-QGZVFWFLSA-N 1 2 405.464 4.159 50 0 HIAALO Cc1ccccc1NC(=O)[C@@H](C)[NH+]1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000022913991 558520845 /nfs/dbraw/zinc/52/08/45/558520845.db2.gz KXIUZZOOQRHSDL-QGZVFWFLSA-N 1 2 405.464 4.159 50 0 HIAALO CC(C)CN1c2ccc(Br)cc2[C@@]2([NH2+]CCc3c4ccccc4[nH]c32)C1=O ZINC000013635286 558553887 /nfs/dbraw/zinc/55/38/87/558553887.db2.gz MBEPOMDEIHZEAY-QFIPXVFZSA-N 1 2 424.342 4.322 50 0 HIAALO O[C@]1(C(F)(F)F)C=C(C2CC2)[NH2+]N1c1nc(-c2cccs2)cc(C(F)(F)F)n1 ZINC000013643069 558556042 /nfs/dbraw/zinc/55/60/42/558556042.db2.gz HSKJQZMAAQIBSL-AWEZNQCLSA-N 1 2 422.354 4.451 50 0 HIAALO Cc1[nH+]c2ccccc2n1Cc1nnc2sc(-c3ccc(Cl)nc3Cl)nn12 ZINC000013690967 558573015 /nfs/dbraw/zinc/57/30/15/558573015.db2.gz LMPULHWYHGXIIK-UHFFFAOYSA-N 1 2 416.297 4.261 50 0 HIAALO CC(=O)c1ccc(N2CC[NH+](Cn3c4ccccc4nc3SC(F)F)CC2)cc1 ZINC000023841780 558577533 /nfs/dbraw/zinc/57/75/33/558577533.db2.gz ISNPHRVXFSZDHQ-UHFFFAOYSA-N 1 2 416.497 4.333 50 0 HIAALO Clc1cc(C[NH+]2CCN(c3ncccn3)CC2)c2c(c1)CO[C@H](c1ccccc1)O2 ZINC000024527989 558600185 /nfs/dbraw/zinc/60/01/85/558600185.db2.gz KIOUVYQDGVJJOX-QFIPXVFZSA-N 1 2 422.916 4.060 50 0 HIAALO COc1ccc(C[N@H+](C)CC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)cc1F ZINC000014022248 558614307 /nfs/dbraw/zinc/61/43/07/558614307.db2.gz VCGMZSKNRJPMFA-UHFFFAOYSA-N 1 2 414.477 4.336 50 0 HIAALO COc1ccc(C[N@@H+](C)CC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)cc1F ZINC000014022248 558614312 /nfs/dbraw/zinc/61/43/12/558614312.db2.gz VCGMZSKNRJPMFA-UHFFFAOYSA-N 1 2 414.477 4.336 50 0 HIAALO CN(C)C(=O)c1cccc(NC(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2)c1 ZINC000024946289 558621950 /nfs/dbraw/zinc/62/19/50/558621950.db2.gz XBKYMBMZATVQFX-QHCPKHFHSA-N 1 2 419.550 4.036 50 0 HIAALO CN(C)C(=O)c1cccc(NC(=O)C[N@H+]2CCc3sccc3[C@@H]2c2ccccc2)c1 ZINC000024946289 558621953 /nfs/dbraw/zinc/62/19/53/558621953.db2.gz XBKYMBMZATVQFX-QHCPKHFHSA-N 1 2 419.550 4.036 50 0 HIAALO COc1c(C)cc(C(=O)[C@@H]2CCC[N@H+](Cc3nc(-c4ccccc4)no3)C2)cc1C ZINC000014977000 558689657 /nfs/dbraw/zinc/68/96/57/558689657.db2.gz DHNCQLYZUBOMHZ-LJQANCHMSA-N 1 2 405.498 4.457 50 0 HIAALO COc1c(C)cc(C(=O)[C@@H]2CCC[N@@H+](Cc3nc(-c4ccccc4)no3)C2)cc1C ZINC000014977000 558689660 /nfs/dbraw/zinc/68/96/60/558689660.db2.gz DHNCQLYZUBOMHZ-LJQANCHMSA-N 1 2 405.498 4.457 50 0 HIAALO Cn1c(C[N@H+](C)Cc2cccc3cccnc32)nnc1SCCOc1ccccc1 ZINC000014989418 558693822 /nfs/dbraw/zinc/69/38/22/558693822.db2.gz SCFLIQWXWAALSI-UHFFFAOYSA-N 1 2 419.554 4.166 50 0 HIAALO Cn1c(C[N@@H+](C)Cc2cccc3cccnc32)nnc1SCCOc1ccccc1 ZINC000014989418 558693827 /nfs/dbraw/zinc/69/38/27/558693827.db2.gz SCFLIQWXWAALSI-UHFFFAOYSA-N 1 2 419.554 4.166 50 0 HIAALO CC[NH+]1CCN(C(=O)c2sc3ncnc(N[C@H](C)c4cccs4)c3c2C)CC1 ZINC000015002532 558698348 /nfs/dbraw/zinc/69/83/48/558698348.db2.gz WSHQYQZNZYMZFR-CQSZACIVSA-N 1 2 415.588 4.012 50 0 HIAALO COc1ccc(NC(=O)[C@H](c2cccc(Br)c2)[NH+]2CCCC2)c(OC)c1 ZINC000072308010 558768217 /nfs/dbraw/zinc/76/82/17/558768217.db2.gz HOPNTOUWYUEOEV-IBGZPJMESA-N 1 2 419.319 4.242 50 0 HIAALO CCOC(=O)c1cc(-c2ccccc2)n(NC(=O)Cn2c(C)[nH+]c3ccccc32)c1C ZINC000039929755 558822719 /nfs/dbraw/zinc/82/27/19/558822719.db2.gz AFABDRIKOGHAJH-UHFFFAOYSA-N 1 2 416.481 4.069 50 0 HIAALO COc1ccc(NC(=O)C2CCN(c3[nH+]cccc3-n3c(C)ccc3C)CC2)cc1 ZINC000033034456 558858556 /nfs/dbraw/zinc/85/85/56/558858556.db2.gz GZZHSWHAFJWAHQ-UHFFFAOYSA-N 1 2 404.514 4.353 50 0 HIAALO C[C@H](CCc1ccccc1)NC(=O)C1CCN(c2[nH+]cccc2-n2cccc2)CC1 ZINC000033034605 558858667 /nfs/dbraw/zinc/85/86/67/558858667.db2.gz YEIXSJAUUSMKQO-HXUWFJFHSA-N 1 2 402.542 4.226 50 0 HIAALO Cc1cccc(N2CCN(c3c(C(=O)N4CCCCC4)c[nH+]c4ccccc43)CC2)c1 ZINC000072328375 558863463 /nfs/dbraw/zinc/86/34/63/558863463.db2.gz NHHPWEDGPAVBIK-UHFFFAOYSA-N 1 2 414.553 4.496 50 0 HIAALO C[C@@H](c1nnc(-c2ccc(F)cc2)o1)N1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000022200901 558865317 /nfs/dbraw/zinc/86/53/17/558865317.db2.gz OHOUUEITKMLKLZ-ZDUSSCGKSA-N 1 2 406.914 4.469 50 0 HIAALO O=C(Nc1ccccc1)N1CCN(c2[nH+]c3ccccc3n2Cc2ccccc2)CC1 ZINC000033106557 558874249 /nfs/dbraw/zinc/87/42/49/558874249.db2.gz OZBKXCPWKJUZSB-UHFFFAOYSA-N 1 2 411.509 4.439 50 0 HIAALO COC(=O)[C@@H]1CCCC[N@@H+]1Cc1cn(-c2ccccc2)nc1-c1cccc(OC)c1 ZINC000055341008 558879246 /nfs/dbraw/zinc/87/92/46/558879246.db2.gz ATBBWJPDRKAHKD-QFIPXVFZSA-N 1 2 405.498 4.075 50 0 HIAALO COC(=O)[C@@H]1CCCC[N@H+]1Cc1cn(-c2ccccc2)nc1-c1cccc(OC)c1 ZINC000055341008 558879249 /nfs/dbraw/zinc/87/92/49/558879249.db2.gz ATBBWJPDRKAHKD-QFIPXVFZSA-N 1 2 405.498 4.075 50 0 HIAALO S=C(Nc1ccc(Br)cc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000055514631 558881854 /nfs/dbraw/zinc/88/18/54/558881854.db2.gz YJMCQDCQMSYATA-QPJJXVBHSA-N 1 2 416.388 4.477 50 0 HIAALO CC[NH+](CC)c1ccc(NS(=O)(=O)c2ccc3c(c2)-c2oncc2CO3)c(C)c1 ZINC000033171264 558900114 /nfs/dbraw/zinc/90/01/14/558900114.db2.gz LDFCFWAQTQZUOH-UHFFFAOYSA-N 1 2 413.499 4.189 50 0 HIAALO CCCCCCNC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)C1 ZINC000058201333 558911311 /nfs/dbraw/zinc/91/13/11/558911311.db2.gz QGPIQYKLTJLTSX-DOTOQJQBSA-N 1 2 418.607 4.071 50 0 HIAALO CCCCCCNC(=O)[C@@H]1CCC[N@H+]([C@@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)C1 ZINC000058201333 558911313 /nfs/dbraw/zinc/91/13/13/558911313.db2.gz QGPIQYKLTJLTSX-DOTOQJQBSA-N 1 2 418.607 4.071 50 0 HIAALO O=C(C[NH+]1CCC(c2nc(C3CC3)n[nH]2)CC1)N(Cc1ccccc1)c1ccccc1 ZINC000058218190 558912843 /nfs/dbraw/zinc/91/28/43/558912843.db2.gz KSGSTDFKGIIYBM-UHFFFAOYSA-N 1 2 415.541 4.095 50 0 HIAALO O=C(C[NH+]1CCC(c2n[nH]c(C3CC3)n2)CC1)N(Cc1ccccc1)c1ccccc1 ZINC000058218190 558912846 /nfs/dbraw/zinc/91/28/46/558912846.db2.gz KSGSTDFKGIIYBM-UHFFFAOYSA-N 1 2 415.541 4.095 50 0 HIAALO COc1ccccc1NC(=O)Nc1ccc(Nc2cc(-n3ccnc3)nc(C)[nH+]2)cc1 ZINC000072115676 558926663 /nfs/dbraw/zinc/92/66/63/558926663.db2.gz BPKNWTYIMGMELB-UHFFFAOYSA-N 1 2 415.457 4.367 50 0 HIAALO COc1ccc(NC(=O)CCC2CCN(c3cc(NC4CC4)[nH+]cn3)CC2)c(C)c1 ZINC000065274160 558970655 /nfs/dbraw/zinc/97/06/55/558970655.db2.gz ZIVKTVIWGRRAIX-UHFFFAOYSA-N 1 2 409.534 4.003 50 0 HIAALO COc1ccc(NC(=O)CCC2CCN(c3cc(NC4CC4)nc[nH+]3)CC2)c(C)c1 ZINC000065274160 558970658 /nfs/dbraw/zinc/97/06/58/558970658.db2.gz ZIVKTVIWGRRAIX-UHFFFAOYSA-N 1 2 409.534 4.003 50 0 HIAALO O=C(C1CCCCC1)N(CCC[NH+]1CCOCC1)c1nc2ccc(F)cc2s1 ZINC000022997709 558981981 /nfs/dbraw/zinc/98/19/81/558981981.db2.gz PBXOPURYKXUHGW-UHFFFAOYSA-N 1 2 405.539 4.071 50 0 HIAALO Cc1cccc2sc(N(CCC[NH+]3CCOCC3)C(=O)c3cccs3)nc21 ZINC000022997311 558982513 /nfs/dbraw/zinc/98/25/13/558982513.db2.gz BMDACWBCNSUYDJ-UHFFFAOYSA-N 1 2 401.557 4.035 50 0 HIAALO C[C@@H]1C[N@@H+](Cc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)CCN1C ZINC000072454121 558982920 /nfs/dbraw/zinc/98/29/20/558982920.db2.gz UUCVOCBKPDJKKM-LJQANCHMSA-N 1 2 400.526 4.481 50 0 HIAALO Nc1ncc(C[N@@H+]2CCOc3c(O)cc(-c4csc5ccccc45)cc3C2)cn1 ZINC000067740230 558992031 /nfs/dbraw/zinc/99/20/31/558992031.db2.gz NWWFQHCLDHBJMG-UHFFFAOYSA-N 1 2 404.495 4.041 50 0 HIAALO Nc1ncc(C[N@H+]2CCOc3c(O)cc(-c4csc5ccccc45)cc3C2)cn1 ZINC000067740230 558992034 /nfs/dbraw/zinc/99/20/34/558992034.db2.gz NWWFQHCLDHBJMG-UHFFFAOYSA-N 1 2 404.495 4.041 50 0 HIAALO CCN(C)C(=O)[C@H](C)[N@@H+]1CCc2onc(C(c3ccccc3)c3ccccc3)c2C1 ZINC000067726822 558992140 /nfs/dbraw/zinc/99/21/40/558992140.db2.gz QRJQLWKPYHVVKY-SFHVURJKSA-N 1 2 403.526 4.080 50 0 HIAALO CCN(C)C(=O)[C@H](C)[N@H+]1CCc2onc(C(c3ccccc3)c3ccccc3)c2C1 ZINC000067726822 558992141 /nfs/dbraw/zinc/99/21/41/558992141.db2.gz QRJQLWKPYHVVKY-SFHVURJKSA-N 1 2 403.526 4.080 50 0 HIAALO CCN1CC[NH+]([C@@H](c2cccs2)[C@H](C)NC(=S)Nc2ccccc2C)CC1 ZINC000022457033 558995307 /nfs/dbraw/zinc/99/53/07/558995307.db2.gz OKUVWHFEQQYYAB-FXAWDEMLSA-N 1 2 402.633 4.110 50 0 HIAALO C[C@]1(Cc2ccc3c(c2)OCO3)CCCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000095498349 559081752 /nfs/dbraw/zinc/08/17/52/559081752.db2.gz AMIRFXWWQONKRX-XMMPIXPASA-N 1 2 403.482 4.086 50 0 HIAALO C[C@@]1(Cc2ccc3c(c2)OCO3)CCCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000095498350 559081828 /nfs/dbraw/zinc/08/18/28/559081828.db2.gz AMIRFXWWQONKRX-DEOSSOPVSA-N 1 2 403.482 4.086 50 0 HIAALO CC[C@@H](C)c1nc(N2CCN(C(=O)C3CCC3)CC2)c(Cc2ccccc2F)c(C)[nH+]1 ZINC000096317071 559109821 /nfs/dbraw/zinc/10/98/21/559109821.db2.gz JECKNMAYDVTCCP-QGZVFWFLSA-N 1 2 424.564 4.477 50 0 HIAALO O=C(CCCc1ccccc1)N1CCN(c2[nH+]ccn2-c2cccc(Cl)c2)CC1 ZINC000011695726 559188940 /nfs/dbraw/zinc/18/89/40/559188940.db2.gz PXYIVJRXWKGPHI-UHFFFAOYSA-N 1 2 408.933 4.197 50 0 HIAALO COc1ccc(NC(=O)CSc2ccc(-c3ccc(-n4cc[nH+]c4)cc3)nn2)cc1 ZINC000005143166 559252064 /nfs/dbraw/zinc/25/20/64/559252064.db2.gz WYSGSHWZLVBEPC-UHFFFAOYSA-N 1 2 417.494 4.069 50 0 HIAALO COc1ccc(/N=c2\scc(-c3cccs3)n2CCC[NH+]2CCOCC2)cc1 ZINC000005298948 560564034 /nfs/dbraw/zinc/56/40/34/560564034.db2.gz XWUYZCSYYHBHHG-DQRAZIAOSA-N 1 2 415.584 4.241 50 0 HIAALO Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)N(C)Cc3[nH+]ccn3C)cc12 ZINC000017369540 560711277 /nfs/dbraw/zinc/71/12/77/560711277.db2.gz IJOMVYMDEDCAOO-UHFFFAOYSA-N 1 2 413.934 4.114 50 0 HIAALO COc1cc(/C=C/C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc(Cl)c1OC ZINC000013096205 560793931 /nfs/dbraw/zinc/79/39/31/560793931.db2.gz QXLDICQCIIBCPB-BCFOUKGLSA-N 1 2 411.889 4.434 50 0 HIAALO O=C(CSCc1cccc(Br)c1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020238335 560883162 /nfs/dbraw/zinc/88/31/62/560883162.db2.gz DALPATXGNIWZLQ-UHFFFAOYSA-N 1 2 419.388 4.027 50 0 HIAALO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)c(C)n1-c1nccs1 ZINC000107544446 560896794 /nfs/dbraw/zinc/89/67/94/560896794.db2.gz IOUSMUYDKGJWRU-MOPGFXCFSA-N 1 2 416.497 4.004 50 0 HIAALO Cc1cc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)c(C)n1-c1nccs1 ZINC000107544446 560896797 /nfs/dbraw/zinc/89/67/97/560896797.db2.gz IOUSMUYDKGJWRU-MOPGFXCFSA-N 1 2 416.497 4.004 50 0 HIAALO COC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(-c3cn4cccc(C)c4[nH+]3)cc2)c1C ZINC000048276025 568435574 /nfs/dbraw/zinc/43/55/74/568435574.db2.gz QTBIRTLXKFSJLB-UHFFFAOYSA-N 1 2 402.454 4.294 50 0 HIAALO C[C@@H]1c2cc3c(cc2C2(CCCC2)C[N@H+]1Cc1nc(-c2ccccn2)no1)OCCO3 ZINC000048355828 568441497 /nfs/dbraw/zinc/44/14/97/568441497.db2.gz DDEDLVCKQRGYOK-MRXNPFEDSA-N 1 2 418.497 4.291 50 0 HIAALO C[C@@H]1c2cc3c(cc2C2(CCCC2)C[N@@H+]1Cc1nc(-c2ccccn2)no1)OCCO3 ZINC000048355828 568441498 /nfs/dbraw/zinc/44/14/98/568441498.db2.gz DDEDLVCKQRGYOK-MRXNPFEDSA-N 1 2 418.497 4.291 50 0 HIAALO CCc1c(C(=O)NCc2ccccc2Cn2cc[nH+]c2)cnn1-c1cccc(Cl)c1 ZINC000024859208 568472766 /nfs/dbraw/zinc/47/27/66/568472766.db2.gz AIUWXDMWADVGCJ-UHFFFAOYSA-N 1 2 419.916 4.263 50 0 HIAALO CC(C)N(Cc1nnc(-c2ccccc2)o1)C(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC000008405395 568500197 /nfs/dbraw/zinc/50/01/97/568500197.db2.gz ZKEIZCHBBFAMCC-JLHYYAGUSA-N 1 2 413.481 4.373 50 0 HIAALO COc1ccc(Cn2ccc3c2cc[nH+]c3SCC(=O)NCc2ccco2)cc1 ZINC000033298444 568513204 /nfs/dbraw/zinc/51/32/04/568513204.db2.gz PVQKPSZPLYINJM-UHFFFAOYSA-N 1 2 407.495 4.095 50 0 HIAALO S=C(Nc1ccc(Cl)cc1)N(CCC[NH+]1CCOCC1)Cc1cccs1 ZINC000020107620 568588091 /nfs/dbraw/zinc/58/80/91/568588091.db2.gz JHROFODYNBRCIE-UHFFFAOYSA-N 1 2 410.008 4.323 50 0 HIAALO Cc1cc(N2CCO[C@H](c3ccc(Br)cc3)C2)nc(-c2ccncc2)[nH+]1 ZINC000095392516 568604209 /nfs/dbraw/zinc/60/42/09/568604209.db2.gz YEQXGXRJNNLDIK-SFHVURJKSA-N 1 2 411.303 4.187 50 0 HIAALO Cc1ccccc1C(=O)N[C@@H](C(=O)Nc1c[nH+]c(N2CCCCC2)c(C)c1)C(C)C ZINC000095462456 568621551 /nfs/dbraw/zinc/62/15/51/568621551.db2.gz USQHCLXQVHLEDT-OAQYLSRUSA-N 1 2 408.546 4.082 50 0 HIAALO O=C(C[N@H+]1CC=C(c2ccc(O)cc2)CC1)Nc1ccnn1Cc1cccc(Cl)c1 ZINC000095469863 568625899 /nfs/dbraw/zinc/62/58/99/568625899.db2.gz QYNJZJMQTYVPLQ-UHFFFAOYSA-N 1 2 422.916 4.018 50 0 HIAALO O=C(C[N@@H+]1CC=C(c2ccc(O)cc2)CC1)Nc1ccnn1Cc1cccc(Cl)c1 ZINC000095469863 568625902 /nfs/dbraw/zinc/62/59/02/568625902.db2.gz QYNJZJMQTYVPLQ-UHFFFAOYSA-N 1 2 422.916 4.018 50 0 HIAALO O=S(=O)(Nc1ccccc1CCc1[nH]c2ccccc2[nH+]1)c1cc(F)cc(F)c1 ZINC000021357296 568688284 /nfs/dbraw/zinc/68/82/84/568688284.db2.gz MRZXYHDIAWXBQM-UHFFFAOYSA-N 1 2 413.449 4.427 50 0 HIAALO Cn1cc[nH+]c1[C@@H](NC(=O)c1cc(Br)ccc1F)c1ccc(Cl)cc1 ZINC000021600994 568722757 /nfs/dbraw/zinc/72/27/57/568722757.db2.gz YLTBMCPCWWYZOV-INIZCTEOSA-N 1 2 422.685 4.495 50 0 HIAALO CC(C)(C)C1CCC(NC(=O)CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000096299976 568723409 /nfs/dbraw/zinc/72/34/09/568723409.db2.gz PVVOHCROMNSRTN-UHFFFAOYSA-N 1 2 406.014 4.179 50 0 HIAALO CC(C)(C)C1CCC(NC(=O)C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)CC1 ZINC000096299976 568723412 /nfs/dbraw/zinc/72/34/12/568723412.db2.gz PVVOHCROMNSRTN-UHFFFAOYSA-N 1 2 406.014 4.179 50 0 HIAALO Cc1ccc(Cc2c(C)[nH+]c(CC(C)C)nc2N2CCN(C(=O)C3CCC3)CC2)cc1 ZINC000096317319 568726627 /nfs/dbraw/zinc/72/66/27/568726627.db2.gz YOZBNKZEWNBXIF-UHFFFAOYSA-N 1 2 420.601 4.331 50 0 HIAALO CC[C@H](C)c1nc(N2CCN(C(=O)N(C)C)CC2)c(Cc2ccc(C)cc2)c(C)[nH+]1 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O=C(CCSc1ccc(Cl)cc1)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000029841218 568837618 /nfs/dbraw/zinc/83/76/18/568837618.db2.gz KDPQTZJYYZVSCV-QGZVFWFLSA-N 1 2 410.992 4.073 50 0 HIAALO Cc1[nH+]c2ccccc2n1CC(=O)OCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000012541328 568848741 /nfs/dbraw/zinc/84/87/41/568848741.db2.gz KIEAGANZNYOFDL-UHFFFAOYSA-N 1 2 415.449 4.319 50 0 HIAALO O=C(Nc1ccc2c(c1)[nH+]c1n2CCCCC1)[C@H]1CCCN1C(=O)c1ccccc1 ZINC000012544603 568849907 /nfs/dbraw/zinc/84/99/07/568849907.db2.gz RUTCHKFRXKYMAC-OAQYLSRUSA-N 1 2 402.498 4.006 50 0 HIAALO C[N@@H+](Cc1ccc2c(c1)OCO2)Cc1nc(=O)c2c(-c3cccs3)csc2[nH]1 ZINC000012615476 568871943 /nfs/dbraw/zinc/87/19/43/568871943.db2.gz ADIWQRVOVHWMRM-UHFFFAOYSA-N 1 2 411.508 4.074 50 0 HIAALO C[N@H+](Cc1ccc2c(c1)OCO2)Cc1nc(=O)c2c(-c3cccs3)csc2[nH]1 ZINC000012615476 568871946 /nfs/dbraw/zinc/87/19/46/568871946.db2.gz ADIWQRVOVHWMRM-UHFFFAOYSA-N 1 2 411.508 4.074 50 0 HIAALO O=C([C@H]([NH2+]Cc1ccc(-c2ccc(Cl)cc2)o1)c1ccccc1)N1CCOCC1 ZINC000012623519 568877772 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HIAALO Cc1cc(C)c(S(=O)(=O)N(C)[C@@H](c2[nH+]ccn2C)c2ccc(Cl)cc2)c(C)c1 ZINC000012783892 568958868 /nfs/dbraw/zinc/95/88/68/568958868.db2.gz DGVSSYICKIBWDU-LJQANCHMSA-N 1 2 417.962 4.409 50 0 HIAALO COc1ccc(C[N@H+](C)CC(=O)Nc2ccccc2C(=O)c2ccccc2)cc1F ZINC000008072466 568971780 /nfs/dbraw/zinc/97/17/80/568971780.db2.gz IPEIDEXKIROEGO-UHFFFAOYSA-N 1 2 406.457 4.136 50 0 HIAALO COc1ccc(C[N@@H+](C)CC(=O)Nc2ccccc2C(=O)c2ccccc2)cc1F ZINC000008072466 568971783 /nfs/dbraw/zinc/97/17/83/568971783.db2.gz IPEIDEXKIROEGO-UHFFFAOYSA-N 1 2 406.457 4.136 50 0 HIAALO COc1ccc([C@@H]2CCC[N@@H+]2Cn2nc(-c3cccc(OC)c3)n(C)c2=S)cc1 ZINC000012810767 568985003 /nfs/dbraw/zinc/98/50/03/568985003.db2.gz WGEPQRMXCKMLKC-FQEVSTJZSA-N 1 2 410.543 4.430 50 0 HIAALO COc1ccc([C@@H]2CCC[N@H+]2Cn2nc(-c3cccc(OC)c3)n(C)c2=S)cc1 ZINC000012810767 568985004 /nfs/dbraw/zinc/98/50/04/568985004.db2.gz WGEPQRMXCKMLKC-FQEVSTJZSA-N 1 2 410.543 4.430 50 0 HIAALO [NH2+]=c1n(Cc2ccccc2)c2ccccc2n1C[C@H](O)COc1ccc(Cl)cc1 ZINC000019733150 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Cc1c[nH+]c(-c2ccccc2)n1C[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 ZINC000575547701 948677085 /nfs/dbraw/zinc/67/70/85/948677085.db2.gz RQGAMUQQMARDTC-OAQYLSRUSA-N 1 2 409.555 4.101 50 0 HIAALO Cc1ccc(-n2ncc3c2nc[nH+]c3N2CCN(c3cc(C)ccc3C)CC2)c(C)c1 ZINC000001240488 132243142 /nfs/dbraw/zinc/24/31/42/132243142.db2.gz ABHGMOOMJODYJQ-UHFFFAOYSA-N 1 2 412.541 4.376 50 0 HIAALO COc1cc(Br)c(C[NH+]2CCN(c3cc(C)ccc3C)CC2)cc1OC ZINC000004980391 132297360 /nfs/dbraw/zinc/29/73/60/132297360.db2.gz BHEDKFCDWQCNBR-UHFFFAOYSA-N 1 2 419.363 4.405 50 0 HIAALO CCCc1cc(N2CCN(c3cccc[nH+]3)CC2)n2nc(C)c(-c3ccccc3)c2n1 ZINC000005894072 132308455 /nfs/dbraw/zinc/30/84/55/132308455.db2.gz SKCHVQGQMSDADA-UHFFFAOYSA-N 1 2 412.541 4.379 50 0 HIAALO Cc1cc(C)cc(-n2ncc3c2nc[nH+]c3N2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000009573689 132341309 /nfs/dbraw/zinc/34/13/09/132341309.db2.gz SDCLJHPOLJRRKR-UHFFFAOYSA-N 1 2 418.932 4.412 50 0 HIAALO CC(C)NS(=O)(=O)c1ccc(C(=O)Nc2c3ccccc3[nH+]c3c2CCCC3)cc1 ZINC000032801932 519732906 /nfs/dbraw/zinc/73/29/06/519732906.db2.gz MVFKUUXZMNUPJY-UHFFFAOYSA-N 1 2 423.538 4.053 50 0 HIAALO CC(C)[C@H](Sc1[nH+]cnc2c1cnn2C)C(=O)Nc1ccccc1C(F)(F)F ZINC000032331079 519824013 /nfs/dbraw/zinc/82/40/13/519824013.db2.gz XWYKVMWAKOEEEN-AWEZNQCLSA-N 1 2 409.437 4.138 50 0 HIAALO CCCC1=Nc2cc(C(=O)NCC[NH+]3CCOCC3)ccc2Sc2ccc(C)cc21 ZINC000020178970 519895467 /nfs/dbraw/zinc/89/54/67/519895467.db2.gz LVHNNWNZOOPCKX-UHFFFAOYSA-N 1 2 423.582 4.443 50 0 HIAALO COc1cc(OC)cc([C@H](NC(=O)CC23CC4CC(CC(C4)C2)C3)c2[nH+]ccn2C)c1 ZINC000032843496 522882651 /nfs/dbraw/zinc/88/26/51/522882651.db2.gz GTABSEVJNWRVOW-QSHMCURRSA-N 1 2 423.557 4.249 50 0 HIAALO C[N@@H+](Cc1csc(COc2ccc(F)cc2)n1)C[C@H]1COc2ccccc2O1 ZINC000032797187 523530166 /nfs/dbraw/zinc/53/01/66/523530166.db2.gz VDBKQLBWBKYXCO-SFHVURJKSA-N 1 2 400.475 4.133 50 0 HIAALO C[N@H+](Cc1csc(COc2ccc(F)cc2)n1)C[C@H]1COc2ccccc2O1 ZINC000032797187 523530181 /nfs/dbraw/zinc/53/01/81/523530181.db2.gz VDBKQLBWBKYXCO-SFHVURJKSA-N 1 2 400.475 4.133 50 0 HIAALO COc1ccc2nc3sc(C(=O)N4CC[NH+](Cc5ccccc5)CC4)cc3cc2c1 ZINC000020178807 525682241 /nfs/dbraw/zinc/68/22/41/525682241.db2.gz BCBBPUMCBSEHDT-UHFFFAOYSA-N 1 2 417.534 4.416 50 0 HIAALO Cc1ccc([C@H](CNC(=O)Cc2ccc(SC(C)C)cc2)[NH+]2CCOCC2)cc1 ZINC000042381940 525954557 /nfs/dbraw/zinc/95/45/57/525954557.db2.gz AKVBFFBAVIQHNR-QHCPKHFHSA-N 1 2 412.599 4.228 50 0 HIAALO O=C(/C=C/c1cc(Br)ccc1F)NCc1ccccc1Cn1cc[nH+]c1 ZINC000032860013 527601800 /nfs/dbraw/zinc/60/18/00/527601800.db2.gz VBTJCPCFJJMBID-VMPITWQZSA-N 1 2 414.278 4.163 50 0 HIAALO O=C(NCC1CCN(c2cccc[nH+]2)CC1)NC(c1ccccc1)c1ccccc1 ZINC000043976604 527611477 /nfs/dbraw/zinc/61/14/77/527611477.db2.gz PASXLKWSJCMGBA-UHFFFAOYSA-N 1 2 400.526 4.387 50 0 HIAALO CCCC(=O)N1CC[NH+](C[C@H](OCc2ccc(C)cc2)c2cccc(OC)c2)CC1 ZINC000022625495 557075341 /nfs/dbraw/zinc/07/53/41/557075341.db2.gz FAQKCYNRGYTWNS-DEOSSOPVSA-N 1 2 410.558 4.206 50 0 HIAALO CCCCc1noc(C[NH+]2CCC3(C[C@H]3c3nnc(-c4cccc(F)c4)o3)CC2)n1 ZINC000071890593 557317916 /nfs/dbraw/zinc/31/79/16/557317916.db2.gz IDZZJCTZZXNZAU-KRWDZBQOSA-N 1 2 411.481 4.371 50 0 HIAALO CN(Cc1ccccc1)C(=O)c1cccc(C[NH+]2CCN(c3ccccc3F)CC2)c1 ZINC000034668398 557362088 /nfs/dbraw/zinc/36/20/88/557362088.db2.gz HVXAXMGJZZKOSN-UHFFFAOYSA-N 1 2 417.528 4.420 50 0 HIAALO O=C(c1ccc(F)cc1)N(C[C@H]1C[N@H+](Cc2ccc(F)cc2)CCO1)C1CCCC1 ZINC000034691950 557372425 /nfs/dbraw/zinc/37/24/25/557372425.db2.gz WQRIZGBKVUICEV-HSZRJFAPSA-N 1 2 414.496 4.251 50 0 HIAALO O=C(c1ccc(F)cc1)N(C[C@H]1C[N@@H+](Cc2ccc(F)cc2)CCO1)C1CCCC1 ZINC000034691950 557372429 /nfs/dbraw/zinc/37/24/29/557372429.db2.gz WQRIZGBKVUICEV-HSZRJFAPSA-N 1 2 414.496 4.251 50 0 HIAALO Cc1ccccc1Oc1nc(N2CCOCC2)nc2c1C[N@H+](Cc1cccs1)CC2 ZINC000034755523 557458212 /nfs/dbraw/zinc/45/82/12/557458212.db2.gz GKNUTKCZMTYPTE-UHFFFAOYSA-N 1 2 422.554 4.034 50 0 HIAALO Cc1ccccc1Oc1nc(N2CCOCC2)nc2c1C[N@@H+](Cc1cccs1)CC2 ZINC000034755523 557458213 /nfs/dbraw/zinc/45/82/13/557458213.db2.gz GKNUTKCZMTYPTE-UHFFFAOYSA-N 1 2 422.554 4.034 50 0 HIAALO Cn1cccc1C[N@@H+]1CCc2nc(N3CCCCC3)nc(Oc3ccc(F)cc3)c2C1 ZINC000034755754 557458487 /nfs/dbraw/zinc/45/84/87/557458487.db2.gz BOUGKGPJDGIVRF-UHFFFAOYSA-N 1 2 421.520 4.295 50 0 HIAALO Cn1cccc1C[N@H+]1CCc2nc(N3CCCCC3)nc(Oc3ccc(F)cc3)c2C1 ZINC000034755754 557458491 /nfs/dbraw/zinc/45/84/91/557458491.db2.gz BOUGKGPJDGIVRF-UHFFFAOYSA-N 1 2 421.520 4.295 50 0 HIAALO COc1ccc(Cl)cc1C(=O)NC[C@H](c1ccco1)[N@@H+]1CCc2ccccc2C1 ZINC000022907095 557852472 /nfs/dbraw/zinc/85/24/72/557852472.db2.gz VJPPWFOLKCRAPQ-HXUWFJFHSA-N 1 2 410.901 4.471 50 0 HIAALO COc1ccc(Cl)cc1C(=O)NC[C@H](c1ccco1)[N@H+]1CCc2ccccc2C1 ZINC000022907095 557852475 /nfs/dbraw/zinc/85/24/75/557852475.db2.gz VJPPWFOLKCRAPQ-HXUWFJFHSA-N 1 2 410.901 4.471 50 0 HIAALO COc1cccc(C[NH+]2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)c1OC ZINC000019832085 558291949 /nfs/dbraw/zinc/29/19/49/558291949.db2.gz UNKWOYCWJRAZQV-UHFFFAOYSA-N 1 2 416.521 4.329 50 0 HIAALO Cc1ccc(Cn2c3ccccc3n(C[C@H](O)COc3ccc(Cl)cc3)c2=[NH2+])cc1 ZINC000019832396 558292024 /nfs/dbraw/zinc/29/20/24/558292024.db2.gz UGELENOIJRVTJT-FQEVSTJZSA-N 1 2 421.928 4.372 50 0 HIAALO O=C(Nc1ccc(Cl)c(Cl)c1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000019854195 558296054 /nfs/dbraw/zinc/29/60/54/558296054.db2.gz WQCUMTUVWAPNJW-UHFFFAOYSA-N 1 2 408.285 4.072 50 0 HIAALO C[N@@H+]1CCc2nc3sc(C(=O)Nc4cc(Cl)ccc4Cl)c(N)c3cc2C1 ZINC000019853416 558296158 /nfs/dbraw/zinc/29/61/58/558296158.db2.gz KWOBEUSLHLNSFS-UHFFFAOYSA-N 1 2 407.326 4.426 50 0 HIAALO C[N@H+]1CCc2nc3sc(C(=O)Nc4cc(Cl)ccc4Cl)c(N)c3cc2C1 ZINC000019853416 558296160 /nfs/dbraw/zinc/29/61/60/558296160.db2.gz KWOBEUSLHLNSFS-UHFFFAOYSA-N 1 2 407.326 4.426 50 0 HIAALO COc1ccccc1C[NH+]1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1 ZINC000019889940 558302801 /nfs/dbraw/zinc/30/28/01/558302801.db2.gz CSJDKHABISJCOA-UHFFFAOYSA-N 1 2 400.522 4.172 50 0 HIAALO O=c1[nH]c(=S)n(-c2ccc(Cl)cc2)c2c1C[N@@H+](CCCc1ccccc1)CN2 ZINC000020522054 558383659 /nfs/dbraw/zinc/38/36/59/558383659.db2.gz HJPPRYKBILRTRV-UHFFFAOYSA-N 1 2 412.946 4.366 50 0 HIAALO O=c1[nH]c(=S)n(-c2ccc(Cl)cc2)c2c1C[N@H+](CCCc1ccccc1)CN2 ZINC000020522054 558383661 /nfs/dbraw/zinc/38/36/61/558383661.db2.gz HJPPRYKBILRTRV-UHFFFAOYSA-N 1 2 412.946 4.366 50 0 HIAALO CCn1cc[nH+]c1CN1CCC[C@@H]1C(=O)Nc1ccccc1-c1ccc(OC)cc1 ZINC000012434063 558408133 /nfs/dbraw/zinc/40/81/33/558408133.db2.gz WFHICTZEELAYBP-JOCHJYFZSA-N 1 2 404.514 4.182 50 0 HIAALO CCc1ccc(NC(=O)CSc2[nH+]cnc3c2cnn3-c2ccc(F)cc2)cc1 ZINC000004341531 558424950 /nfs/dbraw/zinc/42/49/50/558424950.db2.gz BXJZELJTRMIGAS-UHFFFAOYSA-N 1 2 407.474 4.248 50 0 HIAALO CC(=O)N1CC[NH+](Cc2cn(-c3ccccc3F)nc2-c2cc(C)sc2C)CC1 ZINC000020991961 558425815 /nfs/dbraw/zinc/42/58/15/558425815.db2.gz DWZARLVGMRHQNH-UHFFFAOYSA-N 1 2 412.534 4.021 50 0 HIAALO Cc1nc(CN2CC[NH+](Cc3nc(-c4cccc(Cl)c4)oc3C)CC2)cs1 ZINC000020993541 558426332 /nfs/dbraw/zinc/42/63/32/558426332.db2.gz COYAGUJZKLFIOP-UHFFFAOYSA-N 1 2 402.951 4.386 50 0 HIAALO Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(F)cc1)N(CCCn1cc[nH+]c1)C3=O ZINC000021151053 558432691 /nfs/dbraw/zinc/43/26/91/558432691.db2.gz JHHFRRZTPQGLIJ-NRFANRHFSA-N 1 2 417.440 4.073 50 0 HIAALO COc1cccc(OC[C@@H]2CCC[N@H+](Cc3nc(CCc4ccccc4)no3)C2)c1 ZINC000012755542 558460109 /nfs/dbraw/zinc/46/01/09/558460109.db2.gz FHWKWBHVBGSPCF-HXUWFJFHSA-N 1 2 407.514 4.154 50 0 HIAALO COc1cccc(OC[C@@H]2CCC[N@@H+](Cc3nc(CCc4ccccc4)no3)C2)c1 ZINC000012755542 558460113 /nfs/dbraw/zinc/46/01/13/558460113.db2.gz FHWKWBHVBGSPCF-HXUWFJFHSA-N 1 2 407.514 4.154 50 0 HIAALO Cc1nc2c(cnn2C(C)C)cc1C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000012790494 558465067 /nfs/dbraw/zinc/46/50/67/558465067.db2.gz NHNQUBQTJNSGHN-CQSZACIVSA-N 1 2 412.563 4.261 50 0 HIAALO Cc1nc2c(cnn2C(C)C)cc1C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000012790494 558465070 /nfs/dbraw/zinc/46/50/70/558465070.db2.gz NHNQUBQTJNSGHN-CQSZACIVSA-N 1 2 412.563 4.261 50 0 HIAALO Cc1ccsc1C[N@H+](C)CN1C(=O)N[C@@](Cc2ccccc2)(c2ccccc2)C1=O ZINC000012799193 558470840 /nfs/dbraw/zinc/47/08/40/558470840.db2.gz SORMTTOTKQENBV-DEOSSOPVSA-N 1 2 419.550 4.136 50 0 HIAALO Cc1ccsc1C[N@@H+](C)CN1C(=O)N[C@@](Cc2ccccc2)(c2ccccc2)C1=O ZINC000012799193 558470843 /nfs/dbraw/zinc/47/08/43/558470843.db2.gz SORMTTOTKQENBV-DEOSSOPVSA-N 1 2 419.550 4.136 50 0 HIAALO O=C(c1ccc(-n2cnc3ccccc32)cc1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000022285526 558476177 /nfs/dbraw/zinc/47/61/77/558476177.db2.gz GQNGOUIEFHONAN-UHFFFAOYSA-N 1 2 402.523 4.045 50 0 HIAALO COc1ccc(OC)c(NC(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2)c1 ZINC000012977001 558491978 /nfs/dbraw/zinc/49/19/78/558491978.db2.gz GISUGBGCJBJEOA-QHCPKHFHSA-N 1 2 408.523 4.352 50 0 HIAALO COc1ccc(OC)c(NC(=O)C[N@H+]2CCc3sccc3[C@@H]2c2ccccc2)c1 ZINC000012977001 558491981 /nfs/dbraw/zinc/49/19/81/558491981.db2.gz GISUGBGCJBJEOA-QHCPKHFHSA-N 1 2 408.523 4.352 50 0 HIAALO CCOC(=O)c1sc2[nH]c([C@H](C)[N@H+](C)Cc3ccc(Cl)cc3)nc(=O)c2c1C ZINC000013055887 558508324 /nfs/dbraw/zinc/50/83/24/558508324.db2.gz JSKZDAXXEGXALX-LBPRGKRZSA-N 1 2 419.934 4.316 50 0 HIAALO CCOC(=O)c1sc2[nH]c([C@H](C)[N@@H+](C)Cc3ccc(Cl)cc3)nc(=O)c2c1C ZINC000013055887 558508329 /nfs/dbraw/zinc/50/83/29/558508329.db2.gz JSKZDAXXEGXALX-LBPRGKRZSA-N 1 2 419.934 4.316 50 0 HIAALO O=C(COc1ccccc1Cl)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000013059716 558509618 /nfs/dbraw/zinc/50/96/18/558509618.db2.gz RGEFVKWHPLBPLQ-UHFFFAOYSA-N 1 2 413.930 4.372 50 0 HIAALO O=C(COc1ccccc1Cl)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000013059716 558509620 /nfs/dbraw/zinc/50/96/20/558509620.db2.gz RGEFVKWHPLBPLQ-UHFFFAOYSA-N 1 2 413.930 4.372 50 0 HIAALO Fc1ccc([C@@H](CNc2nc(C(F)(F)F)nc3ccccc32)[NH+]2CCOCC2)cc1 ZINC000013163343 558524776 /nfs/dbraw/zinc/52/47/76/558524776.db2.gz LQLCAMYUEVWFEF-GOSISDBHSA-N 1 2 420.410 4.273 50 0 HIAALO C[N@@H+]1C[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)c2ccccn2)[C@]12C(=O)Nc1ccccc12 ZINC000013576693 558543619 /nfs/dbraw/zinc/54/36/19/558543619.db2.gz AQVBOVBQDJSFJF-QATBIIFWSA-N 1 2 417.896 4.111 50 0 HIAALO C[N@H+]1C[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)c2ccccn2)[C@]12C(=O)Nc1ccccc12 ZINC000013576693 558543621 /nfs/dbraw/zinc/54/36/21/558543621.db2.gz AQVBOVBQDJSFJF-QATBIIFWSA-N 1 2 417.896 4.111 50 0 HIAALO Cc1cc(-c2nn(-c3ccccc3F)cc2C[NH2+]Cc2nnc3n2CCC3)c(C)s1 ZINC000023431067 558558266 /nfs/dbraw/zinc/55/82/66/558558266.db2.gz YAPUNHVZLYTSHH-UHFFFAOYSA-N 1 2 422.533 4.184 50 0 HIAALO Fc1ccccc1Nc1nnc(SC[C@H]2C[N@H+](Cc3ccccc3)CCO2)s1 ZINC000023508204 558560434 /nfs/dbraw/zinc/56/04/34/558560434.db2.gz PKHXXPODVOYHDM-MRXNPFEDSA-N 1 2 416.547 4.414 50 0 HIAALO Fc1ccccc1Nc1nnc(SC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)s1 ZINC000023508204 558560436 /nfs/dbraw/zinc/56/04/36/558560436.db2.gz PKHXXPODVOYHDM-MRXNPFEDSA-N 1 2 416.547 4.414 50 0 HIAALO Cc1nc2cc(C(=O)Nc3nc4c(s3)C[N@H+](C)CC4)ccc2n1-c1ccccc1 ZINC000023606729 558563466 /nfs/dbraw/zinc/56/34/66/558563466.db2.gz TZCANOQBXQZDGB-UHFFFAOYSA-N 1 2 403.511 4.031 50 0 HIAALO Cc1nc2cc(C(=O)Nc3nc4c(s3)C[N@@H+](C)CC4)ccc2n1-c1ccccc1 ZINC000023606729 558563469 /nfs/dbraw/zinc/56/34/69/558563469.db2.gz TZCANOQBXQZDGB-UHFFFAOYSA-N 1 2 403.511 4.031 50 0 HIAALO O=C(c1cc(-c2cccnc2)nc2ccccc21)N1CC[NH+](Cc2cccs2)CC1 ZINC000023736071 558572233 /nfs/dbraw/zinc/57/22/33/558572233.db2.gz DTLVZKOZZDRHEB-UHFFFAOYSA-N 1 2 414.534 4.316 50 0 HIAALO COc1ccc([C@H](C)[NH2+]Cc2nc3cc(Cl)ccc3c(=O)[nH]2)cc1Br ZINC000023804831 558576196 /nfs/dbraw/zinc/57/61/96/558576196.db2.gz JGEZGPYTGNGLIC-JTQLQIEISA-N 1 2 422.710 4.198 50 0 HIAALO O=C(N[C@@H](C[NH+]1CCOCC1)c1ccccc1)c1ccc(COc2ccccc2)cc1 ZINC000023873008 558578966 /nfs/dbraw/zinc/57/89/66/558578966.db2.gz DJNRYHABHACMAL-VWLOTQADSA-N 1 2 416.521 4.069 50 0 HIAALO CC[C@@H](c1ccccc1)[C@@](O)(c1ccco1)c1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000024717489 558608707 /nfs/dbraw/zinc/60/87/07/558608707.db2.gz IZVIFAVBUUWIHF-AZGAKELHSA-N 1 2 421.537 4.420 50 0 HIAALO c1[nH]c2ccccc2c1-c1nnc(SC[C@H]2C[N@H+](Cc3ccccc3)CCO2)o1 ZINC000014023163 558614555 /nfs/dbraw/zinc/61/45/55/558614555.db2.gz LMDHOODRSCSGJN-QGZVFWFLSA-N 1 2 406.511 4.211 50 0 HIAALO c1[nH]c2ccccc2c1-c1nnc(SC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)o1 ZINC000014023163 558614560 /nfs/dbraw/zinc/61/45/60/558614560.db2.gz LMDHOODRSCSGJN-QGZVFWFLSA-N 1 2 406.511 4.211 50 0 HIAALO COc1ccc(NC(C)=O)cc1NC(=O)C[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000014161049 558626152 /nfs/dbraw/zinc/62/61/52/558626152.db2.gz YFOWIDXDXXGVCE-GOSISDBHSA-N 1 2 424.526 4.039 50 0 HIAALO COc1ccc(NC(C)=O)cc1NC(=O)C[N@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000014161049 558626154 /nfs/dbraw/zinc/62/61/54/558626154.db2.gz YFOWIDXDXXGVCE-GOSISDBHSA-N 1 2 424.526 4.039 50 0 HIAALO Cc1c2cccc(Cl)c2oc1C(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000014236106 558641358 /nfs/dbraw/zinc/64/13/58/558641358.db2.gz OEGAEEOLJBXPDS-UHFFFAOYSA-N 1 2 412.873 4.081 50 0 HIAALO C[C@H](NC(=O)Nc1cccc(C(F)(F)F)c1)[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000025514803 558642505 /nfs/dbraw/zinc/64/25/05/558642505.db2.gz DXOVRMHKWKICOH-KXBFYZLASA-N 1 2 407.436 4.289 50 0 HIAALO Cc1ccc2[nH+]c(COc3ccc(C(=O)Nc4nnc(C(C)C)s4)cc3)cn2c1 ZINC000026601339 558663398 /nfs/dbraw/zinc/66/33/98/558663398.db2.gz FZQMIIGNGLHDLQ-UHFFFAOYSA-N 1 2 407.499 4.449 50 0 HIAALO c1sc2ncnc(NCc3cc[nH+]c(N4CCOCC4)c3)c2c1-c1ccccc1 ZINC000026717191 558664494 /nfs/dbraw/zinc/66/44/94/558664494.db2.gz ICOQRBJJVNWIIU-UHFFFAOYSA-N 1 2 403.511 4.202 50 0 HIAALO C[NH+](C)[C@@H](CNC(=O)c1cc(=O)c2cc(Cl)ccc2o1)c1ccccc1Cl ZINC000027347235 558672237 /nfs/dbraw/zinc/67/22/37/558672237.db2.gz RKGZJAVEWXEYDF-INIZCTEOSA-N 1 2 405.281 4.133 50 0 HIAALO COc1cc(C[N@H+](Cc2nc3ccsc3c(=O)[nH]2)C2CC2)ccc1OC(F)F ZINC000015036483 558703982 /nfs/dbraw/zinc/70/39/82/558703982.db2.gz GHJCCUMCMKVNAQ-UHFFFAOYSA-N 1 2 407.442 4.172 50 0 HIAALO COc1cc(C[N@@H+](Cc2nc3ccsc3c(=O)[nH]2)C2CC2)ccc1OC(F)F ZINC000015036483 558703984 /nfs/dbraw/zinc/70/39/84/558703984.db2.gz GHJCCUMCMKVNAQ-UHFFFAOYSA-N 1 2 407.442 4.172 50 0 HIAALO COc1ccc(-c2ccccc2NC(=O)[C@@H]2CCC[N@@H+]2Cc2cnc(C)nc2)cc1 ZINC000015073693 558714484 /nfs/dbraw/zinc/71/44/84/558714484.db2.gz FJDAWYBZXQYSLE-QHCPKHFHSA-N 1 2 402.498 4.064 50 0 HIAALO COc1ccc(-c2ccccc2NC(=O)[C@@H]2CCC[N@H+]2Cc2cnc(C)nc2)cc1 ZINC000015073693 558714487 /nfs/dbraw/zinc/71/44/87/558714487.db2.gz FJDAWYBZXQYSLE-QHCPKHFHSA-N 1 2 402.498 4.064 50 0 HIAALO Cc1cc(C(=O)Nc2ccccc2-c2[nH]cc[nH+]2)ccc1I ZINC000072306643 558763356 /nfs/dbraw/zinc/76/33/56/558763356.db2.gz QNKBZBMJWROQQU-UHFFFAOYSA-N 1 2 403.223 4.242 50 0 HIAALO CCOC(=O)Nc1cccc(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccc(Cl)cc2)c1 ZINC000016262945 558781809 /nfs/dbraw/zinc/78/18/09/558781809.db2.gz AAKOREZWKHEHQA-GOSISDBHSA-N 1 2 412.877 4.161 50 0 HIAALO CCN1CC[NH+]([C@@H](c2cccs2)[C@H](C)NC(=S)Nc2cccc(C)c2C)CC1 ZINC000022941988 558794869 /nfs/dbraw/zinc/79/48/69/558794869.db2.gz OCGCHENCXSGMAE-GHTZIAJQSA-N 1 2 416.660 4.419 50 0 HIAALO O=C(c1cc(-c2cccs2)nc2ccccc21)N1CCN(c2cccc[nH+]2)CC1 ZINC000016637989 558797324 /nfs/dbraw/zinc/79/73/24/558797324.db2.gz BBZWZKDXWRPWNW-UHFFFAOYSA-N 1 2 400.507 4.321 50 0 HIAALO COC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)C[N@@H+]1CCc2ccccc2C1 ZINC000017093936 558822385 /nfs/dbraw/zinc/82/23/85/558822385.db2.gz SCGPDERZAZSWMH-UHFFFAOYSA-N 1 2 424.497 4.338 50 0 HIAALO COC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)C[N@H+]1CCc2ccccc2C1 ZINC000017093936 558822387 /nfs/dbraw/zinc/82/23/87/558822387.db2.gz SCGPDERZAZSWMH-UHFFFAOYSA-N 1 2 424.497 4.338 50 0 HIAALO Cc1c(Cl)cccc1NC(=S)N(CCC[NH+]1CCOCC1)Cc1ccco1 ZINC000013573298 558844737 /nfs/dbraw/zinc/84/47/37/558844737.db2.gz PDPOEPLKJBUWMC-UHFFFAOYSA-N 1 2 407.967 4.163 50 0 HIAALO COc1cccc(NC(=O)C2CCN(c3[nH+]cccc3-n3c(C)ccc3C)CC2)c1 ZINC000033034454 558858453 /nfs/dbraw/zinc/85/84/53/558858453.db2.gz UOPUAFQSEAXTBS-UHFFFAOYSA-N 1 2 404.514 4.353 50 0 HIAALO COc1cccc(CNc2c(C(=O)N3CCSCC3)c[nH+]c3ccc(F)cc32)c1 ZINC000072328488 558864078 /nfs/dbraw/zinc/86/40/78/558864078.db2.gz FKRKGRDADGZINP-UHFFFAOYSA-N 1 2 411.502 4.184 50 0 HIAALO Cc1c(Cl)cccc1N1CC[NH+](CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000054225048 558866700 /nfs/dbraw/zinc/86/67/00/558866700.db2.gz YEEKJFRTLQHATJ-UHFFFAOYSA-N 1 2 422.754 4.172 50 0 HIAALO CCOc1cc(C[NH+]2CCN(Cc3ccccc3Br)CC2)ccc1OC ZINC000019361757 558876542 /nfs/dbraw/zinc/87/65/42/558876542.db2.gz TVMLGKALUOBKGO-UHFFFAOYSA-N 1 2 419.363 4.174 50 0 HIAALO CCOc1cc(CN2CC[NH+](Cc3ccccc3Br)CC2)ccc1OC ZINC000019361757 558876544 /nfs/dbraw/zinc/87/65/44/558876544.db2.gz TVMLGKALUOBKGO-UHFFFAOYSA-N 1 2 419.363 4.174 50 0 HIAALO Cc1ccc2occ(C[NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)c(=O)c2c1 ZINC000055292132 558878594 /nfs/dbraw/zinc/87/85/94/558878594.db2.gz XHODKCVWZJTTBK-UHFFFAOYSA-N 1 2 402.416 4.442 50 0 HIAALO CC1=C(C(=O)N(C)C)[C@H](c2ccc(Br)cc2)n2c3ccccc3[nH+]c2N1 ZINC000004684706 558895260 /nfs/dbraw/zinc/89/52/60/558895260.db2.gz OJXOJPLZVWLFSM-SFHVURJKSA-N 1 2 411.303 4.176 50 0 HIAALO Cc1cc(C)c(NC(=O)C[N@H+]2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)c(Cl)c1 ZINC000058170977 558908171 /nfs/dbraw/zinc/90/81/71/558908171.db2.gz SKHGONXBKQFDOW-KRWDZBQOSA-N 1 2 423.985 4.474 50 0 HIAALO Cc1cc(C)c(NC(=O)C[N@@H+]2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)c(Cl)c1 ZINC000058170977 558908172 /nfs/dbraw/zinc/90/81/72/558908172.db2.gz SKHGONXBKQFDOW-KRWDZBQOSA-N 1 2 423.985 4.474 50 0 HIAALO O=C(c1sc2ncccc2c1-n1cccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000033059813 558953973 /nfs/dbraw/zinc/95/39/73/558953973.db2.gz XHAILWIRIAYVTG-UHFFFAOYSA-N 1 2 402.523 4.045 50 0 HIAALO O=C(c1cc(C(F)(F)F)nc(C(F)(F)F)c1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000022996467 558970713 /nfs/dbraw/zinc/97/07/13/558970713.db2.gz SPWWMJSOCDRTDE-UHFFFAOYSA-N 1 2 417.353 4.077 50 0 HIAALO Cc1nc(-n2ccnc2)cc(Nc2ccc(NC(=O)c3c(F)cccc3F)cc2)[nH+]1 ZINC000072437078 558980526 /nfs/dbraw/zinc/98/05/26/558980526.db2.gz LRIORDRQCJGDFJ-UHFFFAOYSA-N 1 2 406.396 4.245 50 0 HIAALO CCc1ccc2[nH]c3c(c(=O)c2c1)C[N@H+](CC(=O)Nc1ccc(C(C)C)cc1)CC3 ZINC000033278745 559042327 /nfs/dbraw/zinc/04/23/27/559042327.db2.gz QGBRLLJRWNFNMB-UHFFFAOYSA-N 1 2 403.526 4.211 50 0 HIAALO CCc1ccc2[nH]c3c(c(=O)c2c1)C[N@@H+](CC(=O)Nc1ccc(C(C)C)cc1)CC3 ZINC000033278745 559042328 /nfs/dbraw/zinc/04/23/28/559042328.db2.gz QGBRLLJRWNFNMB-UHFFFAOYSA-N 1 2 403.526 4.211 50 0 HIAALO O=C(Nc1ccc(Nc2cc(-n3cc[nH+]c3)ncn2)cc1)Nc1cc(F)cc(F)c1 ZINC000082230233 559042495 /nfs/dbraw/zinc/04/24/95/559042495.db2.gz FWBBFOORPGEEFM-UHFFFAOYSA-N 1 2 407.384 4.328 50 0 HIAALO O=C(Cc1ccc(F)cc1)N1CC[NH+]([C@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000023313367 559116775 /nfs/dbraw/zinc/11/67/75/559116775.db2.gz GXQACXPSKJAOLA-RUZDIDTESA-N 1 2 406.476 4.441 50 0 HIAALO Cc1cc(N2CCN(c3cccc[nH+]3)CC2)n2ncc(-c3ccc(Cl)cc3)c2n1 ZINC000101212766 559143997 /nfs/dbraw/zinc/14/39/97/559143997.db2.gz FMFMFINPBAJJPZ-UHFFFAOYSA-N 1 2 404.905 4.080 50 0 HIAALO CC(=O)N(c1nc(CSc2[nH+]cnc3c2cnn3C)cs1)c1cccc(C)c1C ZINC000011683244 559177042 /nfs/dbraw/zinc/17/70/42/559177042.db2.gz JPAGGYOEMJUUCO-UHFFFAOYSA-N 1 2 424.555 4.414 50 0 HIAALO COc1c(C)c[nH+]c(CNC(=O)c2c(C)onc2-c2c(F)cccc2Cl)c1C ZINC000050449194 559186233 /nfs/dbraw/zinc/18/62/33/559186233.db2.gz FWRYECYJYVTGTK-UHFFFAOYSA-N 1 2 403.841 4.393 50 0 HIAALO O=C(C[NH+]1CCC(C(F)(F)F)CC1)Nc1ccc(OCC(F)(F)F)c(Cl)c1 ZINC000408515854 559213078 /nfs/dbraw/zinc/21/30/78/559213078.db2.gz ITEFIFMIVJVOSD-UHFFFAOYSA-N 1 2 418.765 4.494 50 0 HIAALO Cc1ccc(Cc2c(C)[nH+]c(C)nc2N2CCN(C(=O)c3ccc(C)cc3)CC2)cc1 ZINC000033621340 559222997 /nfs/dbraw/zinc/22/29/97/559222997.db2.gz ATYHMJBWBMNOCH-UHFFFAOYSA-N 1 2 414.553 4.263 50 0 HIAALO Cc1ccccc1NC(=O)CSc1ccc(-c2ccc(-n3cc[nH+]c3)cc2)nn1 ZINC000005143141 559252051 /nfs/dbraw/zinc/25/20/51/559252051.db2.gz YTJIBSSULNVPPE-UHFFFAOYSA-N 1 2 401.495 4.369 50 0 HIAALO O=C(C[N@@H+]1CCc2cc3c(cc2C1)OCCCO3)Nc1cc(Cl)cc(Cl)c1 ZINC000005346742 560570484 /nfs/dbraw/zinc/57/04/84/560570484.db2.gz ONFUFTWMEHBBAL-UHFFFAOYSA-N 1 2 407.297 4.152 50 0 HIAALO O=C(C[N@H+]1CCc2cc3c(cc2C1)OCCCO3)Nc1cc(Cl)cc(Cl)c1 ZINC000005346742 560570485 /nfs/dbraw/zinc/57/04/85/560570485.db2.gz ONFUFTWMEHBBAL-UHFFFAOYSA-N 1 2 407.297 4.152 50 0 HIAALO C[C@@H]1c2cc3c(cc2CC[N@H+]1CC(=O)Nc1cccc(C(F)(F)F)c1)OCCCO3 ZINC000005423553 560584923 /nfs/dbraw/zinc/58/49/23/560584923.db2.gz DRTFRGUUUFJBPW-CQSZACIVSA-N 1 2 420.431 4.425 50 0 HIAALO C[C@@H]1c2cc3c(cc2CC[N@@H+]1CC(=O)Nc1cccc(C(F)(F)F)c1)OCCCO3 ZINC000005423553 560584924 /nfs/dbraw/zinc/58/49/24/560584924.db2.gz DRTFRGUUUFJBPW-CQSZACIVSA-N 1 2 420.431 4.425 50 0 HIAALO CCc1ccccc1NC(=O)CSc1[nH+]cnc2c1cnn2Cc1ccccc1 ZINC000005477659 560594746 /nfs/dbraw/zinc/59/47/46/560594746.db2.gz CRBVGDQPZBIDBB-UHFFFAOYSA-N 1 2 403.511 4.168 50 0 HIAALO Cc1nc2n(n1)C(=O)C([C@@H](c1cccc(Br)c1)[N@@H+]1CCC[C@@H](C)C1)S2 ZINC000102878970 560833553 /nfs/dbraw/zinc/83/35/53/560833553.db2.gz XYBPPAZJPNCVJB-IAQYHMDHSA-N 1 2 421.364 4.389 50 0 HIAALO Cc1nc2n(n1)C(=O)C([C@@H](c1cccc(Br)c1)[N@H+]1CCC[C@@H](C)C1)S2 ZINC000102878970 560833554 /nfs/dbraw/zinc/83/35/54/560833554.db2.gz XYBPPAZJPNCVJB-IAQYHMDHSA-N 1 2 421.364 4.389 50 0 HIAALO CC[C@@H](C)c1nc(N2CCN(C(=O)N(C)C)CC2)c(Cc2cc(C)ccc2C)c(C)[nH+]1 ZINC000096316974 560848790 /nfs/dbraw/zinc/84/87/90/560848790.db2.gz BYRKINDPLINFEQ-GOSISDBHSA-N 1 2 423.605 4.310 50 0 HIAALO C[N@@H+]1C[C@H](c2ccc(F)cc2)[C@@H](C(=O)c2cccs2)[C@@]12C(=O)Nc1ccccc12 ZINC000107177279 560895820 /nfs/dbraw/zinc/89/58/20/560895820.db2.gz UQQFASCNTIPMOW-CGYQNGNCSA-N 1 2 406.482 4.263 50 0 HIAALO C[N@H+]1C[C@H](c2ccc(F)cc2)[C@@H](C(=O)c2cccs2)[C@@]12C(=O)Nc1ccccc12 ZINC000107177279 560895821 /nfs/dbraw/zinc/89/58/21/560895821.db2.gz UQQFASCNTIPMOW-CGYQNGNCSA-N 1 2 406.482 4.263 50 0 HIAALO CC(C)OC(=O)Cc1nc(C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cs1 ZINC000048313122 568439037 /nfs/dbraw/zinc/43/90/37/568439037.db2.gz GZMJMKRYWAEDKV-GOSISDBHSA-N 1 2 416.543 4.136 50 0 HIAALO CC(C)OC(=O)Cc1nc(C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cs1 ZINC000048313122 568439038 /nfs/dbraw/zinc/43/90/38/568439038.db2.gz GZMJMKRYWAEDKV-GOSISDBHSA-N 1 2 416.543 4.136 50 0 HIAALO C[N@H+](CCOc1ccccc1Cl)CN1C(=O)NC2(CCC(C(C)(C)C)CC2)C1=O ZINC000048340456 568440246 /nfs/dbraw/zinc/44/02/46/568440246.db2.gz GBTYAEJHOLJHAN-UHFFFAOYSA-N 1 2 421.969 4.135 50 0 HIAALO C[N@@H+](CCOc1ccccc1Cl)CN1C(=O)NC2(CCC(C(C)(C)C)CC2)C1=O ZINC000048340456 568440247 /nfs/dbraw/zinc/44/02/47/568440247.db2.gz GBTYAEJHOLJHAN-UHFFFAOYSA-N 1 2 421.969 4.135 50 0 HIAALO CN(C)c1[nH+]cccc1CNC(=O)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1 ZINC000048369145 568442249 /nfs/dbraw/zinc/44/22/49/568442249.db2.gz OXCPKCWAGSBDFJ-UHFFFAOYSA-N 1 2 413.497 4.127 50 0 HIAALO O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CCC(c2nnc(-c3ccco3)s2)CC1 ZINC000049362977 568447145 /nfs/dbraw/zinc/44/71/45/568447145.db2.gz HQDDKJMZYAKOIO-UHFFFAOYSA-N 1 2 419.510 4.063 50 0 HIAALO COc1ccc(C(=O)c2nnn(-c3cc(Cl)cc(Cl)c3)c2/C=C/[NH+](C)C)cc1 ZINC000049772150 568453393 /nfs/dbraw/zinc/45/33/93/568453393.db2.gz RJSMZGBMUPBNII-CMDGGOBGSA-N 1 2 417.296 4.346 50 0 HIAALO COc1ccc(S(=O)(=O)Nc2cc(-c3cn4cccc(C)c4[nH+]3)ccc2C)cc1 ZINC000006748134 568458148 /nfs/dbraw/zinc/45/81/48/568458148.db2.gz UXQJASXUSMNJDQ-UHFFFAOYSA-N 1 2 407.495 4.428 50 0 HIAALO CCN1CC[NH+](CCCN(Cc2ccco2)C(=S)Nc2ccc(C)c(C)c2)CC1 ZINC000020107752 568588306 /nfs/dbraw/zinc/58/83/06/568588306.db2.gz YCRKEYXNFHZTAX-UHFFFAOYSA-N 1 2 414.619 4.123 50 0 HIAALO O=C(c1cccnc1Nc1cccc(F)c1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000096009092 568683512 /nfs/dbraw/zinc/68/35/12/568683512.db2.gz IJICWWNBUKQYLI-UHFFFAOYSA-N 1 2 407.493 4.493 50 0 HIAALO CCOC(=O)/C=C\c1ccc(NC(=O)N[C@H](c2[nH+]ccn2C)c2cccc(F)c2)cc1 ZINC000096130071 568701983 /nfs/dbraw/zinc/70/19/83/568701983.db2.gz PUITUQXXLMMDJP-ZAGZISDZSA-N 1 2 422.460 4.047 50 0 HIAALO CCc1[nH+]c(C(C)C)nc(N2CCN(C(=O)C3CCC3)CC2)c1Cc1ccccc1F ZINC000096316802 568725951 /nfs/dbraw/zinc/72/59/51/568725951.db2.gz MEBQFTFFJITBGJ-UHFFFAOYSA-N 1 2 424.564 4.341 50 0 HIAALO Cc1[nH+]c(CC(C)C)nc(N2CCN(C(=O)C(C)C)CC2)c1Cc1ccccc1F ZINC000096316981 568726410 /nfs/dbraw/zinc/72/64/10/568726410.db2.gz VTQLCVNOHUVVEC-UHFFFAOYSA-N 1 2 412.553 4.018 50 0 HIAALO CC[C@@H](C)c1nc(N2CCN(C(C)=O)CC2)c(Cc2c(F)cccc2Cl)c(C)[nH+]1 ZINC000096317370 568726612 /nfs/dbraw/zinc/72/66/12/568726612.db2.gz LRIDQKJVFRUCSS-CQSZACIVSA-N 1 2 418.944 4.350 50 0 HIAALO Cc1nc(Nc2ccc(NC(=O)Nc3ccccc3)cc2)cc(N2CCOCC2)[nH+]1 ZINC000021795555 568753665 /nfs/dbraw/zinc/75/36/65/568753665.db2.gz WWZMACTZAWYDQH-UHFFFAOYSA-N 1 2 404.474 4.009 50 0 HIAALO COc1ccc([C@]2(O)C[N@H+](Cc3ccc(Br)cc3)C3=CCCCN32)cc1 ZINC000000971197 568759182 /nfs/dbraw/zinc/75/91/82/568759182.db2.gz ZDECSTYSAYCHJJ-OAQYLSRUSA-N 1 2 415.331 4.056 50 0 HIAALO COc1ccc([C@]2(O)C[N@@H+](Cc3ccc(Br)cc3)C3=CCCCN32)cc1 ZINC000000971197 568759183 /nfs/dbraw/zinc/75/91/83/568759183.db2.gz ZDECSTYSAYCHJJ-OAQYLSRUSA-N 1 2 415.331 4.056 50 0 HIAALO Cc1ccc(C(=O)NCc2ccccc2Cn2cc[nH+]c2)cc1NC(=O)c1ccco1 ZINC000025451316 568769877 /nfs/dbraw/zinc/76/98/77/568769877.db2.gz MESFZKWPQRODGV-UHFFFAOYSA-N 1 2 414.465 4.015 50 0 HIAALO CCC[N@H+](CC(=O)Nc1ccc(F)c(F)c1F)CC(=O)Nc1c(C)cccc1CC ZINC000002659001 568798453 /nfs/dbraw/zinc/79/84/53/568798453.db2.gz VIKVHKNMHAHWBQ-UHFFFAOYSA-N 1 2 421.463 4.264 50 0 HIAALO CCC[N@@H+](CC(=O)Nc1ccc(F)c(F)c1F)CC(=O)Nc1c(C)cccc1CC ZINC000002659001 568798455 /nfs/dbraw/zinc/79/84/55/568798455.db2.gz VIKVHKNMHAHWBQ-UHFFFAOYSA-N 1 2 421.463 4.264 50 0 HIAALO Cc1cc(C[NH+]2CCN(c3ncnc4scc(-c5ccc(F)cc5)c43)CC2)no1 ZINC000057273856 568825659 /nfs/dbraw/zinc/82/56/59/568825659.db2.gz HCDNOQXQPITRJW-UHFFFAOYSA-N 1 2 409.490 4.116 50 0 HIAALO O=C([C@H]([NH2+][C@@H](c1cccs1)c1ccc(F)cc1)c1ccccc1)N1CCOCC1 ZINC000057470838 568838902 /nfs/dbraw/zinc/83/89/02/568838902.db2.gz VGFNLHIJUVTETP-FGZHOGPDSA-N 1 2 410.514 4.166 50 0 HIAALO Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)NCCc3cn4c([nH+]3)CCCC4)cc12 ZINC000012544471 568849668 /nfs/dbraw/zinc/84/96/68/568849668.db2.gz JSKWKMBLPKTALQ-UHFFFAOYSA-N 1 2 423.517 4.040 50 0 HIAALO CC[N@H+](CCCNC(=O)[C@H](NC(=O)c1ccccc1Cl)C(C)C)c1ccccc1 ZINC000012753466 568941901 /nfs/dbraw/zinc/94/19/01/568941901.db2.gz FLYDMGJORSRSNU-OAQYLSRUSA-N 1 2 415.965 4.127 50 0 HIAALO CC[N@@H+](CCCNC(=O)[C@H](NC(=O)c1ccccc1Cl)C(C)C)c1ccccc1 ZINC000012753466 568941902 /nfs/dbraw/zinc/94/19/02/568941902.db2.gz FLYDMGJORSRSNU-OAQYLSRUSA-N 1 2 415.965 4.127 50 0 HIAALO COC(=O)c1ccc(NC(=O)C[N@@H+]2CCc3sccc3[C@H]2c2ccccc2)cc1 ZINC000012758912 568943717 /nfs/dbraw/zinc/94/37/17/568943717.db2.gz XJKQPNJAPOFZDE-JOCHJYFZSA-N 1 2 406.507 4.121 50 0 HIAALO COC(=O)c1ccc(NC(=O)C[N@H+]2CCc3sccc3[C@H]2c2ccccc2)cc1 ZINC000012758912 568943719 /nfs/dbraw/zinc/94/37/19/568943719.db2.gz XJKQPNJAPOFZDE-JOCHJYFZSA-N 1 2 406.507 4.121 50 0 HIAALO O=C(C[N@@H+]1CCc2sccc2[C@@H]1c1ccccc1)NC(=O)Nc1ccccc1F ZINC000008325641 568991529 /nfs/dbraw/zinc/99/15/29/568991529.db2.gz OWWFUBIMLBURNX-NRFANRHFSA-N 1 2 409.486 4.183 50 0 HIAALO O=C(C[N@H+]1CCc2sccc2[C@@H]1c1ccccc1)NC(=O)Nc1ccccc1F ZINC000008325641 568991532 /nfs/dbraw/zinc/99/15/32/568991532.db2.gz OWWFUBIMLBURNX-NRFANRHFSA-N 1 2 409.486 4.183 50 0 HIAALO Cc1[nH+]c2ccccc2n1CC1CCN(S(=O)(=O)c2cccc(Cl)c2C)CC1 ZINC000038488525 568997581 /nfs/dbraw/zinc/99/75/81/568997581.db2.gz GZQFZYAWFDHNQG-UHFFFAOYSA-N 1 2 417.962 4.407 50 0 HIAALO CCOc1ccc(C[N@@H+]2CCc3nc(Nc4cc(OC)ccc4OC)ncc3C2)cc1 ZINC000015779103 569001788 /nfs/dbraw/zinc/00/17/88/569001788.db2.gz QQDDMEYEFYUMPM-UHFFFAOYSA-N 1 2 420.513 4.194 50 0 HIAALO CCOc1ccc(C[N@H+]2CCc3nc(Nc4cc(OC)ccc4OC)ncc3C2)cc1 ZINC000015779103 569001790 /nfs/dbraw/zinc/00/17/90/569001790.db2.gz QQDDMEYEFYUMPM-UHFFFAOYSA-N 1 2 420.513 4.194 50 0 HIAALO Cc1[nH]c2ccc(NC(=O)c3ccco3)cc2c1[C@H](c1ccccn1)[NH+]1CCOCC1 ZINC000015859755 569015390 /nfs/dbraw/zinc/01/53/90/569015390.db2.gz HSRJJVRBBRQEHK-QHCPKHFHSA-N 1 2 416.481 4.138 50 0 HIAALO Cc1cccc(S(=O)(=O)Nc2cccc(CCc3[nH+]c4ccccc4n3C)c2)c1 ZINC000015870566 569017346 /nfs/dbraw/zinc/01/73/46/569017346.db2.gz HFDVDHPFWJWEIA-UHFFFAOYSA-N 1 2 405.523 4.468 50 0 HIAALO Cc1cc(C)c(NC(=O)CNC(=O)C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)c(C)c1 ZINC000012894943 569020205 /nfs/dbraw/zinc/02/02/05/569020205.db2.gz GVSOYZRPJBOYJI-UHFFFAOYSA-N 1 2 422.356 4.105 50 0 HIAALO Cc1cc(C)c(NC(=O)CNC(=O)C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)c(C)c1 ZINC000012894943 569020206 /nfs/dbraw/zinc/02/02/06/569020206.db2.gz GVSOYZRPJBOYJI-UHFFFAOYSA-N 1 2 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Cc1cc(C(=O)C[NH+]2CCN(c3ccc(O)cc3)CC2)c(C)n1CCc1cccs1 ZINC000036451009 569185541 /nfs/dbraw/zinc/18/55/41/569185541.db2.gz LMBZVDGOLMVPAW-UHFFFAOYSA-N 1 2 423.582 4.120 50 0 HIAALO Cc1ccc(C(=O)N2CCC[N@H+](Cc3nc(-c4ccc(Cl)cc4)no3)CC2)c(C)c1 ZINC000065172422 569189719 /nfs/dbraw/zinc/18/97/19/569189719.db2.gz AVDWJCQUZBOFKY-UHFFFAOYSA-N 1 2 424.932 4.355 50 0 HIAALO Cc1ccc(C(=O)N2CCC[N@@H+](Cc3nc(-c4ccc(Cl)cc4)no3)CC2)c(C)c1 ZINC000065172422 569189720 /nfs/dbraw/zinc/18/97/20/569189720.db2.gz AVDWJCQUZBOFKY-UHFFFAOYSA-N 1 2 424.932 4.355 50 0 HIAALO C[C@@H](NC(=O)CC[C@@H]1CCCN(c2cc(NC3CC3)[nH+]cn2)C1)c1ccc(F)cc1 ZINC000065245347 569205142 /nfs/dbraw/zinc/20/51/42/569205142.db2.gz CCSVBNHXQNNBFD-SJORKVTESA-N 1 2 411.525 4.064 50 0 HIAALO C[C@@H](NC(=O)CC[C@@H]1CCCN(c2cc(NC3CC3)nc[nH+]2)C1)c1ccc(F)cc1 ZINC000065245347 569205144 /nfs/dbraw/zinc/20/51/44/569205144.db2.gz CCSVBNHXQNNBFD-SJORKVTESA-N 1 2 411.525 4.064 50 0 HIAALO Cc1ccc(CNC(=O)C[N@@H+]2CCCC[C@H]2c2nc(-c3cccc(F)c3)no2)cc1 ZINC000065250102 569206095 /nfs/dbraw/zinc/20/60/95/569206095.db2.gz UUOYSGOVMGYAPP-FQEVSTJZSA-N 1 2 408.477 4.028 50 0 HIAALO Cc1ccc(CNC(=O)C[N@H+]2CCCC[C@H]2c2nc(-c3cccc(F)c3)no2)cc1 ZINC000065250102 569206096 /nfs/dbraw/zinc/20/60/96/569206096.db2.gz UUOYSGOVMGYAPP-FQEVSTJZSA-N 1 2 408.477 4.028 50 0 HIAALO CCn1nc(C)c2c1nc(C)cc2C(=O)N1CC[NH+]=C1Cc1cccc2ccccc21 ZINC000036616545 569207644 /nfs/dbraw/zinc/20/76/44/569207644.db2.gz WREAJLMEDBGZJM-UHFFFAOYSA-N 1 2 411.509 4.318 50 0 HIAALO Cc1ccn2cc(CNC(=O)c3cc(C)nc4cc(Br)ccc43)[nH+]c2c1 ZINC000065500757 569232633 /nfs/dbraw/zinc/23/26/33/569232633.db2.gz YXEGBCBTXANPBG-UHFFFAOYSA-N 1 2 409.287 4.192 50 0 HIAALO Cc1nn(-c2ccccc2)c(C)c1C[N@H+](C)CC(=O)Nc1ccc(N2CCCC2)cc1 ZINC000007363116 569235494 /nfs/dbraw/zinc/23/54/94/569235494.db2.gz VPMFJXYKCFIYPX-UHFFFAOYSA-N 1 2 417.557 4.160 50 0 HIAALO Cc1nn(-c2ccccc2)c(C)c1C[N@@H+](C)CC(=O)Nc1ccc(N2CCCC2)cc1 ZINC000007363116 569235496 /nfs/dbraw/zinc/23/54/96/569235496.db2.gz 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ZINC000021435747 558438134 /nfs/dbraw/zinc/43/81/34/558438134.db2.gz DGVLHDHCFFCFLE-IBGZPJMESA-N 1 2 406.473 4.067 50 0 HIAALO CCOc1cc(C[N@H+](Cc2nc3ccsc3c(=O)[nH]2)C2CC2)ccc1OC(F)F ZINC000021585081 558442275 /nfs/dbraw/zinc/44/22/75/558442275.db2.gz BZZNUFDYXOLXOK-UHFFFAOYSA-N 1 2 421.469 4.149 50 0 HIAALO CCOc1cc(C[N@@H+](Cc2nc3ccsc3c(=O)[nH]2)C2CC2)ccc1OC(F)F ZINC000021585081 558442278 /nfs/dbraw/zinc/44/22/78/558442278.db2.gz BZZNUFDYXOLXOK-UHFFFAOYSA-N 1 2 421.469 4.149 50 0 HIAALO Cc1ccc(Nc2cc(N3CCN(C(=O)Nc4ccccc4)CC3)[nH+]c(C)n2)cc1 ZINC000021795296 558449569 /nfs/dbraw/zinc/44/95/69/558449569.db2.gz AUVLGTOWMATNHP-UHFFFAOYSA-N 1 2 402.502 4.191 50 0 HIAALO Cc1ccsc1C[N@H+](C)CN1C(=O)N[C@](Cc2ccccc2)(c2ccccc2)C1=O ZINC000012799196 558471039 /nfs/dbraw/zinc/47/10/39/558471039.db2.gz SORMTTOTKQENBV-XMMPIXPASA-N 1 2 419.550 4.136 50 0 HIAALO Cc1ccsc1C[N@@H+](C)CN1C(=O)N[C@](Cc2ccccc2)(c2ccccc2)C1=O ZINC000012799196 558471041 /nfs/dbraw/zinc/47/10/41/558471041.db2.gz SORMTTOTKQENBV-XMMPIXPASA-N 1 2 419.550 4.136 50 0 HIAALO CCc1[nH+]c(S[C@@H](C)C(=O)NC2CCCC2)nc(N)c1-c1ccc(Cl)cc1 ZINC000022830444 558515315 /nfs/dbraw/zinc/51/53/15/558515315.db2.gz MXZXWRFIDNHZEJ-LBPRGKRZSA-N 1 2 404.967 4.481 50 0 HIAALO CCc1[nH+]c(S[C@H](C)C(=O)NC2CCCC2)nc(N)c1-c1ccc(Cl)cc1 ZINC000022830450 558515403 /nfs/dbraw/zinc/51/54/03/558515403.db2.gz MXZXWRFIDNHZEJ-GFCCVEGCSA-N 1 2 404.967 4.481 50 0 HIAALO Cc1nc(CN2CC[NH+](Cc3c(-c4ccccc4)nc4sccn34)CC2)cs1 ZINC000022924318 558522854 /nfs/dbraw/zinc/52/28/54/558522854.db2.gz VYNZXPCNGGZUMD-UHFFFAOYSA-N 1 2 409.584 4.146 50 0 HIAALO O=C(c1ccc(-c2cccc(C(F)(F)F)c2)o1)N1CCN(c2cccc[nH+]2)CC1 ZINC000013150516 558523869 /nfs/dbraw/zinc/52/38/69/558523869.db2.gz ARIYEBGQEGBZAG-UHFFFAOYSA-N 1 2 401.388 4.323 50 0 HIAALO O=c1cc(C[NH+]2CCN(Cc3ccc(Cl)s3)CC2)c2cc3c(cc2o1)CCC3 ZINC000023334531 558549792 /nfs/dbraw/zinc/54/97/92/558549792.db2.gz VUXAISMHAKFKTA-UHFFFAOYSA-N 1 2 414.958 4.314 50 0 HIAALO COc1cc(C)c(C[NH+]2CCN(C(=O)c3ccc4[nH]c(C)c(C)c4c3)CC2)cc1OC ZINC000023743997 558573440 /nfs/dbraw/zinc/57/34/40/558573440.db2.gz YVEAZKUWILZRHU-UHFFFAOYSA-N 1 2 421.541 4.068 50 0 HIAALO O=C(N[C@H](C[NH+]1CCOCC1)c1ccccc1)c1cccc(OCc2ccccc2)c1 ZINC000023873250 558579131 /nfs/dbraw/zinc/57/91/31/558579131.db2.gz HSZWXVVDJKOLHA-RUZDIDTESA-N 1 2 416.521 4.069 50 0 HIAALO O=C(NCc1ccccc1C[NH+]1CCOCC1)c1ccccc1Nc1ccc(F)cc1 ZINC000023881765 558579772 /nfs/dbraw/zinc/57/97/72/558579772.db2.gz XZZKAYBBQMMFPV-UHFFFAOYSA-N 1 2 419.500 4.332 50 0 HIAALO Cc1ccc(C(=O)N2CC[NH+](C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)n1C ZINC000024132598 558590064 /nfs/dbraw/zinc/59/00/64/558590064.db2.gz ZDFDYDOOSHEDAN-UHFFFAOYSA-N 1 2 409.480 4.159 50 0 HIAALO C[C@H](c1ccc(Cl)cc1Cl)[N@H+](C)CC(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC000032777559 558601017 /nfs/dbraw/zinc/60/10/17/558601017.db2.gz MNCJLXBCAKHMAS-CYBMUJFWSA-N 1 2 408.329 4.327 50 0 HIAALO C[C@H](c1ccc(Cl)cc1Cl)[N@@H+](C)CC(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC000032777559 558601019 /nfs/dbraw/zinc/60/10/19/558601019.db2.gz MNCJLXBCAKHMAS-CYBMUJFWSA-N 1 2 408.329 4.327 50 0 HIAALO C[C@@H]1CCCC[C@]12NC(=O)N(C[N@H+](C)[C@@H](c1ccccc1)c1ccc(F)cc1)C2=O ZINC000014197192 558633847 /nfs/dbraw/zinc/63/38/47/558633847.db2.gz CFRJNZQOSDTPQO-GQOCTPOGSA-N 1 2 409.505 4.305 50 0 HIAALO C[C@@H]1CCCC[C@]12NC(=O)N(C[N@@H+](C)[C@@H](c1ccccc1)c1ccc(F)cc1)C2=O ZINC000014197192 558633849 /nfs/dbraw/zinc/63/38/49/558633849.db2.gz CFRJNZQOSDTPQO-GQOCTPOGSA-N 1 2 409.505 4.305 50 0 HIAALO Cc1cc(Cl)ccc1OCCCC(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000014910015 558679047 /nfs/dbraw/zinc/67/90/47/558679047.db2.gz KXRIMEPXLRJLPK-SFHVURJKSA-N 1 2 422.978 4.059 50 0 HIAALO O=C(CC(c1ccccc1)c1ccccc1)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000027673703 558679979 /nfs/dbraw/zinc/67/99/79/558679979.db2.gz IPVRHYYQOTWNHT-RUZDIDTESA-N 1 2 414.549 4.226 50 0 HIAALO O=C(CC(c1ccccc1)c1ccccc1)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000027673703 558679983 /nfs/dbraw/zinc/67/99/83/558679983.db2.gz IPVRHYYQOTWNHT-RUZDIDTESA-N 1 2 414.549 4.226 50 0 HIAALO CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2nc(C3(c4ccc(C)cc4)CCCC3)no2)C1 ZINC000014950628 558680961 /nfs/dbraw/zinc/68/09/61/558680961.db2.gz CTIZGDMHVAAOCV-HXUWFJFHSA-N 1 2 424.589 4.319 50 0 HIAALO CCN(CC)C(=O)[C@@H]1CCC[N@@H+](Cc2nc(C3(c4ccc(C)cc4)CCCC3)no2)C1 ZINC000014950628 558680963 /nfs/dbraw/zinc/68/09/63/558680963.db2.gz CTIZGDMHVAAOCV-HXUWFJFHSA-N 1 2 424.589 4.319 50 0 HIAALO O=C(NC[C@H](c1ccc(Cl)cc1)[NH+]1CCCCC1)c1cc(=O)c2ccccc2o1 ZINC000028289111 558695995 /nfs/dbraw/zinc/69/59/95/558695995.db2.gz BPSUAIHBEBVGTO-LJQANCHMSA-N 1 2 410.901 4.403 50 0 HIAALO COc1cc(-c2nc(C)cnc2C)cc2c1OCC[N@H+](Cc1cc(F)ccc1F)C2 ZINC000015001544 558697934 /nfs/dbraw/zinc/69/79/34/558697934.db2.gz PJAQAFACBZYERI-UHFFFAOYSA-N 1 2 411.452 4.442 50 0 HIAALO COc1cc(-c2nc(C)cnc2C)cc2c1OCC[N@@H+](Cc1cc(F)ccc1F)C2 ZINC000015001544 558697936 /nfs/dbraw/zinc/69/79/36/558697936.db2.gz PJAQAFACBZYERI-UHFFFAOYSA-N 1 2 411.452 4.442 50 0 HIAALO O=C(CCc1ccco1)N1CC[NH+](C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000028643397 558703052 /nfs/dbraw/zinc/70/30/52/558703052.db2.gz KBVZLEMPWUZIDV-UHFFFAOYSA-N 1 2 410.464 4.424 50 0 HIAALO CC(=O)c1ccc(N2CCN(C(=O)c3cccc(Oc4cc[nH+]cc4)c3)CC2)cc1 ZINC000072281462 558706243 /nfs/dbraw/zinc/70/62/43/558706243.db2.gz AXKANRFXGUMKIP-UHFFFAOYSA-N 1 2 401.466 4.039 50 0 HIAALO Clc1cccc(-c2cnc(CN3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)o2)c1 ZINC000029630883 558718142 /nfs/dbraw/zinc/71/81/42/558718142.db2.gz DDQQVDDOVQJSAT-UHFFFAOYSA-N 1 2 411.889 4.042 50 0 HIAALO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1cnn(-c2ccccc2)c1C1CC1 ZINC000030582928 558733268 /nfs/dbraw/zinc/73/32/68/558733268.db2.gz IJKCJOMIOJTNKR-UHFFFAOYSA-N 1 2 407.543 4.444 50 0 HIAALO COc1ccc(Nc2ncc3c(n2)CC[N@@H+](Cc2ccc(Cl)cc2)C3)c(OC)c1 ZINC000015778961 558753019 /nfs/dbraw/zinc/75/30/19/558753019.db2.gz JLPSEFGYQYFXPX-UHFFFAOYSA-N 1 2 410.905 4.449 50 0 HIAALO COc1ccc(Nc2ncc3c(n2)CC[N@H+](Cc2ccc(Cl)cc2)C3)c(OC)c1 ZINC000015778961 558753023 /nfs/dbraw/zinc/75/30/23/558753023.db2.gz JLPSEFGYQYFXPX-UHFFFAOYSA-N 1 2 410.905 4.449 50 0 HIAALO COC(=O)c1c(C)[nH]c(C(=O)C[N@@H+]2CCc3sccc3[C@H]2c2cccs2)c1C ZINC000034867703 558785893 /nfs/dbraw/zinc/78/58/93/558785893.db2.gz LNFGPNFLJMQEKI-FQEVSTJZSA-N 1 2 414.552 4.372 50 0 HIAALO COC(=O)c1c(C)[nH]c(C(=O)C[N@H+]2CCc3sccc3[C@H]2c2cccs2)c1C ZINC000034867703 558785894 /nfs/dbraw/zinc/78/58/94/558785894.db2.gz LNFGPNFLJMQEKI-FQEVSTJZSA-N 1 2 414.552 4.372 50 0 HIAALO O=C(NC1CCCC1)c1ccc2cc[nH+]c(N3CCN(c4ccc(F)cc4)CC3)c2c1 ZINC000035512278 558793038 /nfs/dbraw/zinc/79/30/38/558793038.db2.gz HYWZUFYHKAKZLF-UHFFFAOYSA-N 1 2 418.516 4.373 50 0 HIAALO Fc1ccccc1CN(CC[NH+]1CCOCC1)C(=S)Nc1cccc(Cl)c1 ZINC000017087813 558816636 /nfs/dbraw/zinc/81/66/36/558816636.db2.gz QHOHWBFMALPXGO-UHFFFAOYSA-N 1 2 407.942 4.010 50 0 HIAALO O=C(c1c[nH+]c2ccccc2c1N1CCN(c2ccccc2F)CC1)N1CCCCC1 ZINC000072328377 558863616 /nfs/dbraw/zinc/86/36/16/558863616.db2.gz DYZLLZHPKYNHJU-UHFFFAOYSA-N 1 2 418.516 4.327 50 0 HIAALO Cc1ccc2[nH]c(N3CCC[C@H](C(=O)NCc4ccc(OC(C)C)cc4)C3)[nH+]c2c1 ZINC000033072226 558866783 /nfs/dbraw/zinc/86/67/83/558866783.db2.gz JPEIIQZIOWETSB-IBGZPJMESA-N 1 2 406.530 4.191 50 0 HIAALO Cc1ccc2[nH+]c(N3CCC[C@H](C(=O)NCc4ccc(OC(C)C)cc4)C3)[nH]c2c1 ZINC000033072226 558866787 /nfs/dbraw/zinc/86/67/87/558866787.db2.gz JPEIIQZIOWETSB-IBGZPJMESA-N 1 2 406.530 4.191 50 0 HIAALO O=C(C[NH+]1CCC(c2nc3ccccc3s2)CC1)c1ccc(N2CCCC2=O)cc1 ZINC000058175479 558909442 /nfs/dbraw/zinc/90/94/42/558909442.db2.gz BKNKIEDCRYTDOJ-UHFFFAOYSA-N 1 2 419.550 4.485 50 0 HIAALO CCOc1cc(C[NH+]2CCN(C(=O)c3cccc4ccccc43)CC2)ccc1OC ZINC000019532047 558912344 /nfs/dbraw/zinc/91/23/44/558912344.db2.gz WKUKRVCCCBGZJM-UHFFFAOYSA-N 1 2 404.510 4.205 50 0 HIAALO Cc1nc(-n2ccnc2)cc(Nc2ccc(NC(=O)Nc3ccc(F)cc3)cc2)[nH+]1 ZINC000072115463 558926446 /nfs/dbraw/zinc/92/64/46/558926446.db2.gz SNMLIVJXMQXBJP-UHFFFAOYSA-N 1 2 403.421 4.497 50 0 HIAALO CC[C@H](C)NC(=O)c1ccc2cc[nH+]c(N3CCN(c4ccccc4F)CC3)c2c1 ZINC000065002332 558968824 /nfs/dbraw/zinc/96/88/24/558968824.db2.gz CPQCCYCKCOBXFI-KRWDZBQOSA-N 1 2 406.505 4.229 50 0 HIAALO COc1ccc(-c2nc(C[NH+]3CCN(c4ccc(C(C)=O)cc4)CC3)c(C)o2)cc1C ZINC000067676326 558991382 /nfs/dbraw/zinc/99/13/82/558991382.db2.gz AAHMRQHOGXOWQJ-UHFFFAOYSA-N 1 2 419.525 4.492 50 0 HIAALO Cc1[nH]c2ccccc2c1C(=O)CN1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000096833085 558993660 /nfs/dbraw/zinc/99/36/60/558993660.db2.gz YSOFFWKWXXZHAT-UHFFFAOYSA-N 1 2 411.933 4.009 50 0 HIAALO Cc1oc(-c2cccc(F)c2)nc1C[NH+]1CCN(c2ncc3ccccc3n2)CC1 ZINC000067910236 558994830 /nfs/dbraw/zinc/99/48/30/558994830.db2.gz DAUMGINJCNQIDB-UHFFFAOYSA-N 1 2 403.461 4.055 50 0 HIAALO CCN1CC[NH+]([C@H](c2cccs2)[C@H](C)NC(=S)Nc2ccccc2C)CC1 ZINC000022457037 558995321 /nfs/dbraw/zinc/99/53/21/558995321.db2.gz OKUVWHFEQQYYAB-PXNSSMCTSA-N 1 2 402.633 4.110 50 0 HIAALO C[C@H](NC(=O)C(C)(C)C)[C@@H](c1cccs1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000023181335 559031395 /nfs/dbraw/zinc/03/13/95/559031395.db2.gz OMUDAJSPKIWIKL-JXFKEZNVSA-N 1 2 403.567 4.301 50 0 HIAALO Cc1ccc(NC(=O)Nc2ccc(Nc3cc(N4CCOCC4)[nH+]c(C)n3)cc2)cc1 ZINC000033318592 559056074 /nfs/dbraw/zinc/05/60/74/559056074.db2.gz FRFACCCHVKIEQG-UHFFFAOYSA-N 1 2 418.501 4.318 50 0 HIAALO COc1ccccc1NC(=O)C1=C(C)Nc2[nH+]c3ccccc3n2[C@@H]1c1cccnc1 ZINC000004786769 559064134 /nfs/dbraw/zinc/06/41/34/559064134.db2.gz ZZZFERQPJQFLRU-JOCHJYFZSA-N 1 2 411.465 4.368 50 0 HIAALO C[C@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3)[N@H+](C)Cc1ccc(Cl)nc1 ZINC000072308164 559161273 /nfs/dbraw/zinc/16/12/73/559161273.db2.gz XHKAYAFBBKYKED-NWDGAFQWSA-N 1 2 402.951 4.351 50 0 HIAALO C[C@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3)[N@@H+](C)Cc1ccc(Cl)nc1 ZINC000072308164 559161274 /nfs/dbraw/zinc/16/12/74/559161274.db2.gz XHKAYAFBBKYKED-NWDGAFQWSA-N 1 2 402.951 4.351 50 0 HIAALO COc1cc(Br)cc(C[NH2+]Cc2nc3ccccc3[nH]2)c1OC(C)C ZINC000113397575 559180245 /nfs/dbraw/zinc/18/02/45/559180245.db2.gz ISGQWRNDYBGFAS-UHFFFAOYSA-N 1 2 404.308 4.411 50 0 HIAALO O=C(NCc1ccccc1C[NH+]1CCOCC1)c1sc2ccccc2c1Cl ZINC000018214043 560784834 /nfs/dbraw/zinc/78/48/34/560784834.db2.gz RIXDZDWQQKDNRK-UHFFFAOYSA-N 1 2 400.931 4.317 50 0 HIAALO O=C(c1cc(Cl)ccc1OCc1ccccc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000018227905 560785049 /nfs/dbraw/zinc/78/50/49/560785049.db2.gz UBOYAFJXOZFANN-UHFFFAOYSA-N 1 2 407.901 4.276 50 0 HIAALO C[N@@H+]1C[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)c2ccco2)[C@@]12C(=O)Nc1ccccc12 ZINC000107176713 560895837 /nfs/dbraw/zinc/89/58/37/560895837.db2.gz GHMGJMTZSQKKKW-CGYQNGNCSA-N 1 2 406.869 4.309 50 0 HIAALO C[N@H+]1C[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)c2ccco2)[C@@]12C(=O)Nc1ccccc12 ZINC000107176713 560895838 /nfs/dbraw/zinc/89/58/38/560895838.db2.gz GHMGJMTZSQKKKW-CGYQNGNCSA-N 1 2 406.869 4.309 50 0 HIAALO O=C(Nc1ccccc1-n1cc[nH+]c1)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000045860033 568421085 /nfs/dbraw/zinc/42/10/85/568421085.db2.gz OETAYIALZJOYOT-QGZVFWFLSA-N 1 2 408.889 4.017 50 0 HIAALO Cc1cccc(-c2noc(C3CC[NH+](CC(=O)Nc4ccc(F)cc4F)CC3)n2)c1 ZINC000049403226 568448181 /nfs/dbraw/zinc/44/81/81/568448181.db2.gz BSWXVZBTKVRNBV-UHFFFAOYSA-N 1 2 412.440 4.141 50 0 HIAALO COc1ccc(Cl)cc1NC(=O)[C@H](C)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000022038094 568473316 /nfs/dbraw/zinc/47/33/16/568473316.db2.gz AVASCBHTYQRLBW-YOCVDRLZSA-N 1 2 413.949 4.007 50 0 HIAALO CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1c2ccccc2n(Cc2ccccc2C)c1C(=O)[O-] ZINC000020379325 568602486 /nfs/dbraw/zinc/60/24/86/568602486.db2.gz CKUNWMFPYKPPHN-FQEVSTJZSA-N 1 2 405.542 4.270 50 0 HIAALO CC[N@H+]1CCC[C@H]1C[NH2+]Cc1c2ccccc2n(Cc2ccccc2C)c1C(=O)[O-] ZINC000020379325 568602489 /nfs/dbraw/zinc/60/24/89/568602489.db2.gz CKUNWMFPYKPPHN-FQEVSTJZSA-N 1 2 405.542 4.270 50 0 HIAALO Fc1ccc([C@H]([NH2+]Cc2ccc3c(c2)OCO3)c2nnc(-c3ccccc3)o2)cc1 ZINC000020853070 568645289 /nfs/dbraw/zinc/64/52/89/568645289.db2.gz APAPITYGMLOIEJ-NRFANRHFSA-N 1 2 403.413 4.484 50 0 HIAALO O=C(NCCCSC1CCCCC1)[C@H]1CCCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000021159184 568674216 /nfs/dbraw/zinc/67/42/16/568674216.db2.gz OVULJIJISYHDOM-KRWDZBQOSA-N 1 2 400.592 4.352 50 0 HIAALO O=S(=O)(Nc1ccccc1CCc1[nH]c2ccccc2[nH+]1)c1ccc(F)c(F)c1 ZINC000021357280 568688388 /nfs/dbraw/zinc/68/83/88/568688388.db2.gz GDSQHMNHFPOCTJ-UHFFFAOYSA-N 1 2 413.449 4.427 50 0 HIAALO CCc1[nH+]c(C(C)C)nc(N2CCN(C(=O)C(C)C)CC2)c1Cc1ccccc1F ZINC000096316800 568726035 /nfs/dbraw/zinc/72/60/35/568726035.db2.gz JDSVOVDUQIGMBH-UHFFFAOYSA-N 1 2 412.553 4.197 50 0 HIAALO Cc1cccc(Cc2c(C)[nH+]c(C(C)C)nc2N2CCN(C(=O)C3CCC3)CC2)c1 ZINC000096317256 568726268 /nfs/dbraw/zinc/72/62/68/568726268.db2.gz RVTWFUGTNIBMJX-UHFFFAOYSA-N 1 2 406.574 4.256 50 0 HIAALO Cc1ccc(S(=O)(=O)Nc2ccccc2CNc2[nH+]c3ccccc3n2C)cc1 ZINC000000892338 568741519 /nfs/dbraw/zinc/74/15/19/568741519.db2.gz WMSXWKNAERQXSL-UHFFFAOYSA-N 1 2 406.511 4.295 50 0 HIAALO Cc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](C(=O)Nc4ccc(F)cc4F)C3)no2)cc1 ZINC000021724811 568751254 /nfs/dbraw/zinc/75/12/54/568751254.db2.gz DSZCSIAMONFNSB-MRXNPFEDSA-N 1 2 412.440 4.174 50 0 HIAALO Cc1ccc(-c2nc(C[N@H+]3CCC[C@@H](C(=O)Nc4ccc(F)cc4F)C3)no2)cc1 ZINC000021724811 568751257 /nfs/dbraw/zinc/75/12/57/568751257.db2.gz DSZCSIAMONFNSB-MRXNPFEDSA-N 1 2 412.440 4.174 50 0 HIAALO Cc1ccc(Nc2cc(N3CCN(C(=O)c4cccc(Cl)c4)CC3)[nH+]c(C)n2)cc1 ZINC000021793947 568753160 /nfs/dbraw/zinc/75/31/60/568753160.db2.gz SYALRKPDIITOMM-UHFFFAOYSA-N 1 2 421.932 4.453 50 0 HIAALO Cc1cc(C)n(Cc2ccc(C(=O)N3CC[NH+](Cc4ccc(Cl)cc4)CC3)cc2)n1 ZINC000028231362 568783142 /nfs/dbraw/zinc/78/31/42/568783142.db2.gz KTABFGDGURPEMU-UHFFFAOYSA-N 1 2 422.960 4.160 50 0 HIAALO Cc1ccccc1Cn1nc(C[NH2+]Cc2nc3ccccc3[nH]2)c(-c2ccccc2)n1 ZINC000261492190 568820389 /nfs/dbraw/zinc/82/03/89/568820389.db2.gz UCDSXRPZWWNZHK-UHFFFAOYSA-N 1 2 408.509 4.468 50 0 HIAALO O=C(NC[C@@H](c1ccco1)[NH+]1CCN(c2ccccc2)CC1)OCc1ccccc1 ZINC000056945392 568821508 /nfs/dbraw/zinc/82/15/08/568821508.db2.gz RHDPXARHSBWBDU-QFIPXVFZSA-N 1 2 405.498 4.069 50 0 HIAALO COc1ccccc1N1CC[NH+](CC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)CC1 ZINC000057383591 568830953 /nfs/dbraw/zinc/83/09/53/568830953.db2.gz AXYMMIWOBDQYJW-OAHLLOKOSA-N 1 2 422.356 4.001 50 0 HIAALO COc1ccc(-c2csc(NC(=O)c3ccc(-n4cc[nH+]c4)cc3)n2)cc1OC ZINC000012535569 568845241 /nfs/dbraw/zinc/84/52/41/568845241.db2.gz AEBJZDVFGWIGQK-UHFFFAOYSA-N 1 2 406.467 4.265 50 0 HIAALO Cn1cc[nH+]c1[C@H](NC(=O)c1cc(Br)ccc1Cl)c1ccccc1F ZINC000012544502 568849732 /nfs/dbraw/zinc/84/97/32/568849732.db2.gz HYZOOJYWTUOISR-MRXNPFEDSA-N 1 2 422.685 4.495 50 0 HIAALO C[C@@H](c1nnc(SCc2cn3ccccc3n2)n1-c1ccc(Cl)cc1)[NH+](C)C ZINC000012551082 568853147 /nfs/dbraw/zinc/85/31/47/568853147.db2.gz QSFYKTCUGIALDA-AWEZNQCLSA-N 1 2 412.950 4.483 50 0 HIAALO Cn1cc[nH+]c1[C@@H](NC(=O)COc1ccc(Cl)cc1Cl)c1ccccc1F ZINC000012556803 568855809 /nfs/dbraw/zinc/85/58/09/568855809.db2.gz VCMRBNKZAHBQEM-SFHVURJKSA-N 1 2 408.260 4.151 50 0 HIAALO Cc1ccc(OCC(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3)cc2)c(Br)c1 ZINC000012573270 568862230 /nfs/dbraw/zinc/86/22/30/568862230.db2.gz PPNARCGDZJFDBX-OAHLLOKOSA-N 1 2 414.303 4.199 50 0 HIAALO COc1ccc([C@@H](NC(=O)CCCc2nc3ccccc3s2)c2[nH+]ccn2C)cc1 ZINC000012575409 568862332 /nfs/dbraw/zinc/86/23/32/568862332.db2.gz MZPZJXUYUDGMSD-JOCHJYFZSA-N 1 2 420.538 4.267 50 0 HIAALO O=C([C@@H]([NH2+]Cc1ccc(-c2ccc(Cl)cc2)o1)c1ccccc1)N1CCOCC1 ZINC000012623522 568877742 /nfs/dbraw/zinc/87/77/42/568877742.db2.gz BBMRJZCXPMYJRG-QFIPXVFZSA-N 1 2 410.901 4.290 50 0 HIAALO O=C(CSc1[nH+]cnc2c1cnn2-c1ccccc1)Nc1ccc(F)cc1Cl ZINC000003343183 568884190 /nfs/dbraw/zinc/88/41/90/568884190.db2.gz MDKITRYGMZWZLQ-UHFFFAOYSA-N 1 2 413.865 4.339 50 0 HIAALO Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000025665877 568907406 /nfs/dbraw/zinc/90/74/06/568907406.db2.gz IVBHHIOXKPFCJY-UHFFFAOYSA-N 1 2 419.916 4.068 50 0 HIAALO CCCOc1ccc(C[NH2+][C@H]2CNC(=O)c3cc(-c4ccc(Cl)cc4)nn32)cc1 ZINC000263617535 568911539 /nfs/dbraw/zinc/91/15/39/568911539.db2.gz OGVLSLNQPZWVIM-OAQYLSRUSA-N 1 2 410.905 4.024 50 0 HIAALO CC[N@@H+](CC(=O)Nc1ccccc1SC(F)F)C[C@@H]1COc2ccccc2O1 ZINC000031174058 568917114 /nfs/dbraw/zinc/91/71/14/568917114.db2.gz PEQAXCGXELIGST-CQSZACIVSA-N 1 2 408.470 4.102 50 0 HIAALO CC[N@H+](CC(=O)Nc1ccccc1SC(F)F)C[C@@H]1COc2ccccc2O1 ZINC000031174058 568917117 /nfs/dbraw/zinc/91/71/17/568917117.db2.gz PEQAXCGXELIGST-CQSZACIVSA-N 1 2 408.470 4.102 50 0 HIAALO C[C@@H](NC(=O)C1=Cc2cc(Br)ccc2OC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000012761946 568946125 /nfs/dbraw/zinc/94/61/25/568946125.db2.gz HLNMZJIEYCVBIR-CQSZACIVSA-N 1 2 424.298 4.288 50 0 HIAALO Cc1[nH]nc(-c2ccc(S(=O)(=O)Nc3cccc(C[NH+]4CCCC4)c3)s2)c1C ZINC000015734998 568983963 /nfs/dbraw/zinc/98/39/63/568983963.db2.gz BZOUKSMHWTWYGC-UHFFFAOYSA-N 1 2 416.572 4.152 50 0 HIAALO CCC[N@H+](CC(=O)N[C@H]1CCCc2ccccc21)Cc1nnc(-c2cccs2)o1 ZINC000008246676 568985159 /nfs/dbraw/zinc/98/51/59/568985159.db2.gz DZQXUTWJLRBXTK-SFHVURJKSA-N 1 2 410.543 4.204 50 0 HIAALO CCC[N@@H+](CC(=O)N[C@H]1CCCc2ccccc21)Cc1nnc(-c2cccs2)o1 ZINC000008246676 568985161 /nfs/dbraw/zinc/98/51/61/568985161.db2.gz DZQXUTWJLRBXTK-SFHVURJKSA-N 1 2 410.543 4.204 50 0 HIAALO Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)NCCCn3cc[nH+]c3)cc12 ZINC000008310558 568988809 /nfs/dbraw/zinc/98/88/09/568988809.db2.gz MUORDMURYACCKY-UHFFFAOYSA-N 1 2 413.934 4.125 50 0 HIAALO C[C@H](Sc1[nH+]cnc2c1cnn2-c1ccccc1)C(=O)N1c2ccccc2C[C@H]1C ZINC000008401511 569000790 /nfs/dbraw/zinc/00/07/90/569000790.db2.gz XLYDRAREQYZAEJ-CVEARBPZSA-N 1 2 415.522 4.274 50 0 HIAALO Clc1cccc(C[N@@H+]2CCc3nc(Nc4ccc5c(c4)OCCO5)ncc3C2)c1 ZINC000015779215 569001804 /nfs/dbraw/zinc/00/18/04/569001804.db2.gz AHHLGYHHCFEDRP-UHFFFAOYSA-N 1 2 408.889 4.203 50 0 HIAALO Clc1cccc(C[N@H+]2CCc3nc(Nc4ccc5c(c4)OCCO5)ncc3C2)c1 ZINC000015779215 569001806 /nfs/dbraw/zinc/00/18/06/569001806.db2.gz AHHLGYHHCFEDRP-UHFFFAOYSA-N 1 2 408.889 4.203 50 0 HIAALO COc1cccc(NC(=O)NC[C@H](c2ccco2)[N@@H+]2CCc3ccccc3C2)c1OC ZINC000038633126 569003951 /nfs/dbraw/zinc/00/39/51/569003951.db2.gz GCVCRUNEVFZBDZ-HXUWFJFHSA-N 1 2 421.497 4.218 50 0 HIAALO COc1cccc(NC(=O)NC[C@H](c2ccco2)[N@H+]2CCc3ccccc3C2)c1OC ZINC000038633126 569003953 /nfs/dbraw/zinc/00/39/53/569003953.db2.gz GCVCRUNEVFZBDZ-HXUWFJFHSA-N 1 2 421.497 4.218 50 0 HIAALO CC[N@H+](CC(=O)Nc1nnc(-c2ccccc2)o1)Cc1ccc(Br)s1 ZINC000012947853 569029266 /nfs/dbraw/zinc/02/92/66/569029266.db2.gz NQOKOXDKURJPIM-UHFFFAOYSA-N 1 2 421.320 4.021 50 0 HIAALO CC[N@@H+](CC(=O)Nc1nnc(-c2ccccc2)o1)Cc1ccc(Br)s1 ZINC000012947853 569029267 /nfs/dbraw/zinc/02/92/67/569029267.db2.gz NQOKOXDKURJPIM-UHFFFAOYSA-N 1 2 421.320 4.021 50 0 HIAALO Cc1ccc(-n2cc(C3=CC[N@H+](CC(=O)NCc4ccccc4F)CC3)cn2)cc1C ZINC000035404292 569035772 /nfs/dbraw/zinc/03/57/72/569035772.db2.gz UHWJWQJBCCLUJS-UHFFFAOYSA-N 1 2 418.516 4.034 50 0 HIAALO Cc1ccc(-n2cc(C3=CC[N@@H+](CC(=O)NCc4ccccc4F)CC3)cn2)cc1C ZINC000035404292 569035773 /nfs/dbraw/zinc/03/57/73/569035773.db2.gz UHWJWQJBCCLUJS-UHFFFAOYSA-N 1 2 418.516 4.034 50 0 HIAALO O=C(c1ccc(F)cc1)N(Cc1[nH+]ccn1Cc1ccccc1F)Cc1cccnc1 ZINC000006689030 569040907 /nfs/dbraw/zinc/04/09/07/569040907.db2.gz JTINOKSYPVYQOF-UHFFFAOYSA-N 1 2 418.447 4.447 50 0 HIAALO O=S(=O)(Nc1cccc(-c2c[nH+]c3n2CCC3)c1)c1cccc(C(F)(F)F)c1 ZINC000090607226 569041957 /nfs/dbraw/zinc/04/19/57/569041957.db2.gz ISAMFRSDYZWUAV-UHFFFAOYSA-N 1 2 407.417 4.316 50 0 HIAALO O=C(C[NH+]1CCCCC1)Nc1sc2c(c1C(=O)Nc1ccc(F)cc1)CCCC2 ZINC000035586324 569046123 /nfs/dbraw/zinc/04/61/23/569046123.db2.gz UGAFKDPTYODLLL-UHFFFAOYSA-N 1 2 415.534 4.443 50 0 HIAALO CCc1[nH+]c(C)nc(N2CCN(C(=O)c3ccco3)CC2)c1Cc1ccc(Cl)cc1 ZINC000035806938 569060762 /nfs/dbraw/zinc/06/07/62/569060762.db2.gz AVMLZZAACNAQKE-UHFFFAOYSA-N 1 2 424.932 4.147 50 0 HIAALO Cc1ccc(Cl)cc1N1CC[NH+](CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000054225052 569061314 /nfs/dbraw/zinc/06/13/14/569061314.db2.gz KVPXXKKBVNKUIN-UHFFFAOYSA-N 1 2 422.754 4.172 50 0 HIAALO C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[N@H+](C)Cc1ccc(N(C)C)nc1 ZINC000089518898 569062677 /nfs/dbraw/zinc/06/26/77/569062677.db2.gz DTUCXNYBHHXYEI-GFCCVEGCSA-N 1 2 414.859 4.279 50 0 HIAALO C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[N@@H+](C)Cc1ccc(N(C)C)nc1 ZINC000089518898 569062678 /nfs/dbraw/zinc/06/26/78/569062678.db2.gz DTUCXNYBHHXYEI-GFCCVEGCSA-N 1 2 414.859 4.279 50 0 HIAALO COCCN(Cc1[nH+]ccn1Cc1ccc(Cl)c(Cl)c1)C(=O)C1CCCC1 ZINC000006690032 569089306 /nfs/dbraw/zinc/08/93/06/569089306.db2.gz JYANYQNJHKWNOT-UHFFFAOYSA-N 1 2 410.345 4.403 50 0 HIAALO COc1ccc(OC[C@H](O)C[N@H+](Cc2ccco2)Cc2ccc(F)cc2F)cc1 ZINC000036104048 569092407 /nfs/dbraw/zinc/09/24/07/569092407.db2.gz GXRFNQSTVSEIEG-GOSISDBHSA-N 1 2 403.425 4.009 50 0 HIAALO COc1ccc(OC[C@H](O)C[N@@H+](Cc2ccco2)Cc2ccc(F)cc2F)cc1 ZINC000036104048 569092408 /nfs/dbraw/zinc/09/24/08/569092408.db2.gz GXRFNQSTVSEIEG-GOSISDBHSA-N 1 2 403.425 4.009 50 0 HIAALO Cc1ccc(Nc2nc(N3CCN(C(=O)c4ccccc4Cl)CC3)cc(C)[nH+]2)cc1 ZINC000064799956 569097483 /nfs/dbraw/zinc/09/74/83/569097483.db2.gz RDSSLLITQPHBHY-UHFFFAOYSA-N 1 2 421.932 4.453 50 0 HIAALO Cc1ccc(Nc2nc(N3CCN(C(=O)c4ccc(Cl)cc4)CC3)cc(C)[nH+]2)cc1 ZINC000064799965 569097493 /nfs/dbraw/zinc/09/74/93/569097493.db2.gz VHWPPUOAGUFAFR-UHFFFAOYSA-N 1 2 421.932 4.453 50 0 HIAALO COc1ccc(CC(=O)NCCn2c(CCc3ccccc3)[nH+]c3ccccc32)cc1 ZINC000064887970 569115230 /nfs/dbraw/zinc/11/52/30/569115230.db2.gz LCDUHNBHIPRIMJ-UHFFFAOYSA-N 1 2 413.521 4.189 50 0 HIAALO Cc1ccc2c(C[N@H+](C)CC(=O)Nc3ccccc3C(F)(F)F)cc(=O)oc2c1 ZINC000006787777 569122204 /nfs/dbraw/zinc/12/22/04/569122204.db2.gz LUTTURUVANLRPF-UHFFFAOYSA-N 1 2 404.388 4.191 50 0 HIAALO Cc1ccc2c(C[N@@H+](C)CC(=O)Nc3ccccc3C(F)(F)F)cc(=O)oc2c1 ZINC000006787777 569122205 /nfs/dbraw/zinc/12/22/05/569122205.db2.gz LUTTURUVANLRPF-UHFFFAOYSA-N 1 2 404.388 4.191 50 0 HIAALO COc1cccc(CNC(=O)c2ccc(-c3ccc(N4CCSCC4)[nH+]c3)cc2)c1 ZINC000065178342 569191809 /nfs/dbraw/zinc/19/18/09/569191809.db2.gz OMLDGFBPIRZNPD-UHFFFAOYSA-N 1 2 419.550 4.240 50 0 HIAALO C[N@H+](CC(=O)Nc1ccc(N2CCCC2=O)cc1)Cc1ccc(Cl)c(Cl)c1 ZINC000006976393 569192447 /nfs/dbraw/zinc/19/24/47/569192447.db2.gz VQQQCGJXIUDMEP-UHFFFAOYSA-N 1 2 406.313 4.191 50 0 HIAALO C[N@@H+](CC(=O)Nc1ccc(N2CCCC2=O)cc1)Cc1ccc(Cl)c(Cl)c1 ZINC000006976393 569192448 /nfs/dbraw/zinc/19/24/48/569192448.db2.gz VQQQCGJXIUDMEP-UHFFFAOYSA-N 1 2 406.313 4.191 50 0 HIAALO CCCNc1cc(N2CCC(CCC(=O)NCc3ccc(Cl)cc3)CC2)nc[nH+]1 ZINC000065274238 569215091 /nfs/dbraw/zinc/21/50/91/569215091.db2.gz WORMYTUVIPZXSD-UHFFFAOYSA-N 1 2 415.969 4.265 50 0 HIAALO CCCNc1cc(N2CCC(CCC(=O)NCc3ccc(Cl)cc3)CC2)[nH+]cn1 ZINC000065274238 569215092 /nfs/dbraw/zinc/21/50/92/569215092.db2.gz WORMYTUVIPZXSD-UHFFFAOYSA-N 1 2 415.969 4.265 50 0 HIAALO COc1ccc(NC(=O)c2ccccc2NC(=O)C[N@H+](C)Cc2ccccc2F)cc1 ZINC000007061337 569215229 /nfs/dbraw/zinc/21/52/29/569215229.db2.gz KOCAUKIEDTYAKZ-UHFFFAOYSA-N 1 2 421.472 4.157 50 0 HIAALO COc1ccc(NC(=O)c2ccccc2NC(=O)C[N@@H+](C)Cc2ccccc2F)cc1 ZINC000007061337 569215231 /nfs/dbraw/zinc/21/52/31/569215231.db2.gz KOCAUKIEDTYAKZ-UHFFFAOYSA-N 1 2 421.472 4.157 50 0 HIAALO CC[N@@H+](Cc1nc(-c2cccc(C(F)(F)F)c2)no1)C[C@@H]1COc2ccccc2O1 ZINC000037133334 569238674 /nfs/dbraw/zinc/23/86/74/569238674.db2.gz VDUCGGPPVUHQQQ-MRXNPFEDSA-N 1 2 419.403 4.417 50 0 HIAALO CC[N@H+](Cc1nc(-c2cccc(C(F)(F)F)c2)no1)C[C@@H]1COc2ccccc2O1 ZINC000037133334 569238676 /nfs/dbraw/zinc/23/86/76/569238676.db2.gz VDUCGGPPVUHQQQ-MRXNPFEDSA-N 1 2 419.403 4.417 50 0 HIAALO COc1ccc(C[N@H+](CCS(=O)(=O)c2cc(Cl)ccc2Cl)C2CC2)cc1 ZINC000007662201 569299704 /nfs/dbraw/zinc/29/97/04/569299704.db2.gz PMYXDOOQYTXLSZ-UHFFFAOYSA-N 1 2 414.354 4.440 50 0 HIAALO COc1ccc(C[N@@H+](CCS(=O)(=O)c2cc(Cl)ccc2Cl)C2CC2)cc1 ZINC000007662201 569299705 /nfs/dbraw/zinc/29/97/05/569299705.db2.gz PMYXDOOQYTXLSZ-UHFFFAOYSA-N 1 2 414.354 4.440 50 0 HIAALO CC(C)(C)n1c[nH+]c2cc(NS(=O)(=O)c3ccc(Br)cc3)ccc21 ZINC000002351330 569381455 /nfs/dbraw/zinc/38/14/55/569381455.db2.gz PFGLFBGTTIDTIH-UHFFFAOYSA-N 1 2 408.321 4.355 50 0 HIAALO Cc1cc(C)nc(NC(=S)N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000526061664 569395180 /nfs/dbraw/zinc/39/51/80/569395180.db2.gz PJNSZIQUFLWRLH-UHFFFAOYSA-N 1 2 408.493 4.232 50 0 in-vitro HIAALO COc1ccc(C(=O)CSc2[nH+]cnc3c2cnn3-c2ccc(C)cc2)cc1OC ZINC000002426795 569398628 /nfs/dbraw/zinc/39/86/28/569398628.db2.gz MDRPRWKZNDFBMC-UHFFFAOYSA-N 1 2 420.494 4.116 50 0 HIAALO O=C(CSc1nnc(C[NH+]2CCCC2)n1-c1ccccc1)c1c[nH]c2ccccc12 ZINC000008726148 571108439 /nfs/dbraw/zinc/10/84/39/571108439.db2.gz HAARKBXIWUUEFT-UHFFFAOYSA-N 1 2 417.538 4.319 50 0 HIAALO Cc1[nH]c2ccccc2c1C(=O)N1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000039998446 571137265 /nfs/dbraw/zinc/13/72/65/571137265.db2.gz OXRIEIJIDAXKGB-UHFFFAOYSA-N 1 2 401.432 4.453 50 0 HIAALO CCOc1ccc(CCC2CCN(C(=O)c3ccc(-n4cc[nH+]c4)nc3)CC2)cc1 ZINC000040051517 571145269 /nfs/dbraw/zinc/14/52/69/571145269.db2.gz RQRASMDNJYTCGR-UHFFFAOYSA-N 1 2 404.514 4.151 50 0 HIAALO Cc1cccc2[nH+]c(CSc3n[nH]c(-c4ccccc4Br)n3)cn21 ZINC000040067304 571148349 /nfs/dbraw/zinc/14/83/49/571148349.db2.gz MAYADFSKRRBEFB-UHFFFAOYSA-N 1 2 400.305 4.483 50 0 HIAALO COc1ccc(C(=O)[C@@H]2CCC[N@H+](Cc3nc4c(s3)CCCC4)C2)c(OC)c1 ZINC000019841775 846372128 /nfs/dbraw/zinc/37/21/28/846372128.db2.gz AVULSTBUGURZRF-OAHLLOKOSA-N 1 2 400.544 4.134 50 0 HIAALO COc1ccc(C(=O)[C@@H]2CCC[N@@H+](Cc3nc4c(s3)CCCC4)C2)c(OC)c1 ZINC000019841775 846372134 /nfs/dbraw/zinc/37/21/34/846372134.db2.gz AVULSTBUGURZRF-OAHLLOKOSA-N 1 2 400.544 4.134 50 0 HIAALO COc1ccc(-c2nc(C[N@H+](C)Cc3ccc4nsnc4c3)c(C)o2)c(OC)c1 ZINC000055060677 849965148 /nfs/dbraw/zinc/96/51/48/849965148.db2.gz RCIDGNOJLALAEB-UHFFFAOYSA-N 1 2 410.499 4.304 50 0 HIAALO COc1ccc(-c2nc(C[N@@H+](C)Cc3ccc4nsnc4c3)c(C)o2)c(OC)c1 ZINC000055060677 849965157 /nfs/dbraw/zinc/96/51/57/849965157.db2.gz RCIDGNOJLALAEB-UHFFFAOYSA-N 1 2 410.499 4.304 50 0 HIAALO O=C(/C=C\c1cc(Br)ccc1F)NCc1ccccc1Cn1cc[nH+]c1 ZINC000098002130 852648775 /nfs/dbraw/zinc/64/87/75/852648775.db2.gz VBTJCPCFJJMBID-YVMONPNESA-N 1 2 414.278 4.163 50 0 HIAALO Cc1nn2c(nc(C)cc2N2CCN(c3cccc[nH+]3)CC2)c1-c1ccccc1Cl ZINC000006759204 132315155 /nfs/dbraw/zinc/31/51/55/132315155.db2.gz BXDFAAIDOZAWAJ-UHFFFAOYSA-N 1 2 418.932 4.388 50 0 HIAALO Cc1ccc(C(=O)N2CCN(c3nc(C)[nH+]c(C)c3Cc3cccc(C)c3)CC2)cc1 ZINC000006836951 132318486 /nfs/dbraw/zinc/31/84/86/132318486.db2.gz AHYGYPHAXURZLJ-UHFFFAOYSA-N 1 2 414.553 4.263 50 0 HIAALO O=C(NCc1ccc(N2CCOCC2)[nH+]c1)c1cc(-c2ccccc2)nc2ccccc21 ZINC000011126225 132347768 /nfs/dbraw/zinc/34/77/68/132347768.db2.gz CFQRHOQUUIOTNG-UHFFFAOYSA-N 1 2 424.504 4.063 50 0 HIAALO CCOc1ccc(C[NH+]2CCN(C(=O)c3nc(-c4ccco4)sc3C)CC2)cc1 ZINC000032466586 520972919 /nfs/dbraw/zinc/97/29/19/520972919.db2.gz DZRIWHWUUGBQDP-UHFFFAOYSA-N 1 2 411.527 4.068 50 0 HIAALO Cn1c(=S)n(C[N@H+](C)[C@@H]2CCCc3ccccc32)nc1[C@@H]1COc2ccccc2O1 ZINC000032899419 523620566 /nfs/dbraw/zinc/62/05/66/523620566.db2.gz HXUQNQNSBWEKRE-NQIIRXRSSA-N 1 2 422.554 4.430 50 0 HIAALO Cn1c(=S)n(C[N@@H+](C)[C@@H]2CCCc3ccccc32)nc1[C@@H]1COc2ccccc2O1 ZINC000032899419 523620577 /nfs/dbraw/zinc/62/05/77/523620577.db2.gz HXUQNQNSBWEKRE-NQIIRXRSSA-N 1 2 422.554 4.430 50 0 HIAALO C[N@@H+]1CCc2c(sc3ncn4nc(COc5ccc6ccccc6c5)nc4c23)C1 ZINC000020565771 523996832 /nfs/dbraw/zinc/99/68/32/523996832.db2.gz BBFIANLWPPSHBK-UHFFFAOYSA-N 1 2 401.495 4.059 50 0 HIAALO C[N@H+]1CCc2c(sc3ncn4nc(COc5ccc6ccccc6c5)nc4c23)C1 ZINC000020565771 523996834 /nfs/dbraw/zinc/99/68/34/523996834.db2.gz BBFIANLWPPSHBK-UHFFFAOYSA-N 1 2 401.495 4.059 50 0 HIAALO COc1ccccc1-n1cnn(C[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)c1=S ZINC000032913318 524305666 /nfs/dbraw/zinc/30/56/66/524305666.db2.gz NGFMCANWTOVJKR-MRXNPFEDSA-N 1 2 421.526 4.390 50 0 HIAALO COc1ccccc1-n1cnn(C[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)c1=S ZINC000032913318 524305676 /nfs/dbraw/zinc/30/56/76/524305676.db2.gz NGFMCANWTOVJKR-MRXNPFEDSA-N 1 2 421.526 4.390 50 0 HIAALO Cc1cc(C[NH+]2CCN(Cc3csc(Cc4ccc(Cl)cc4)n3)CC2)on1 ZINC000029710772 524695787 /nfs/dbraw/zinc/69/57/87/524695787.db2.gz HSMMEAIWOOEJQL-UHFFFAOYSA-N 1 2 402.951 4.002 50 0 HIAALO COc1ccccc1[C@@H](C)NC(=O)CSc1[nH+][nH]cc2c3cc(F)ccc3nc1-2 ZINC000032752922 524718707 /nfs/dbraw/zinc/71/87/07/524718707.db2.gz YZAAYJBRAZGJHV-GFCCVEGCSA-N 1 2 410.474 4.228 50 0 HIAALO Cc1ccc(NC(=S)N(CCC[NH+]2CCOCC2)Cc2cccs2)cc1C ZINC000020107747 525265384 /nfs/dbraw/zinc/26/53/84/525265384.db2.gz UNSYCMBGJLQBSD-UHFFFAOYSA-N 1 2 403.617 4.286 50 0 HIAALO C[C@H](c1cc2ccccc2o1)N(C)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000032779751 526039289 /nfs/dbraw/zinc/03/92/89/526039289.db2.gz BIRJJJOHWBWTLT-NQIIRXRSSA-N 1 2 407.514 4.209 50 0 HIAALO O=C(Nc1nccs1)[C@@H]1CCC[N@@H+](Cn2c3ccccc3n(C(F)F)c2=S)C1 ZINC000040149252 527525539 /nfs/dbraw/zinc/52/55/39/527525539.db2.gz FBJHZHLPIGZHTR-GFCCVEGCSA-N 1 2 423.514 4.332 50 0 HIAALO O=C(Nc1nccs1)[C@@H]1CCC[N@H+](Cn2c3ccccc3n(C(F)F)c2=S)C1 ZINC000040149252 527525543 /nfs/dbraw/zinc/52/55/43/527525543.db2.gz FBJHZHLPIGZHTR-GFCCVEGCSA-N 1 2 423.514 4.332 50 0 HIAALO O=C(Nc1nnc(SCc2cn3ccccc3[nH+]2)s1)c1nc2ccccc2s1 ZINC000043939678 527536635 /nfs/dbraw/zinc/53/66/35/527536635.db2.gz JTJINPRKCLDMCZ-UHFFFAOYSA-N 1 2 424.536 4.340 50 0 HIAALO CCOC(=O)c1ccc2ncc(C(=O)OCC)c(Nc3ccc([NH+](C)C)cc3)c2c1 ZINC000000952865 557125287 /nfs/dbraw/zinc/12/52/87/557125287.db2.gz KUTFNMKLIAKKMF-UHFFFAOYSA-N 1 2 407.470 4.398 50 0 HIAALO CSc1nc2ccc(Nc3nc(N4CCCC4)[nH+]c(N4CCCC4)n3)cc2s1 ZINC000001185500 557233536 /nfs/dbraw/zinc/23/35/36/557233536.db2.gz XEHZOVLLCGJKDO-UHFFFAOYSA-N 1 2 413.576 4.147 50 0 HIAALO O=C(c1ccc(F)cc1)N(C[C@H]1C[N@H+](Cc2ccsc2)CCO1)C1CCCC1 ZINC000034691964 557372621 /nfs/dbraw/zinc/37/26/21/557372621.db2.gz POLPBGGASLNYSK-OAQYLSRUSA-N 1 2 402.535 4.173 50 0 HIAALO O=C(c1ccc(F)cc1)N(C[C@H]1C[N@@H+](Cc2ccsc2)CCO1)C1CCCC1 ZINC000034691964 557372625 /nfs/dbraw/zinc/37/26/25/557372625.db2.gz POLPBGGASLNYSK-OAQYLSRUSA-N 1 2 402.535 4.173 50 0 HIAALO CC(=O)O[C@@H](COc1ccc(Br)cc1)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000002841764 557401451 /nfs/dbraw/zinc/40/14/51/557401451.db2.gz ZANJJNONUQVRMY-GOSISDBHSA-N 1 2 417.303 4.426 50 0 HIAALO C[C@@H]1CN(C(=O)[C@@H]2CCCN(c3[nH+]c4ccccc4n3C3CCCC3)C2)C[C@H](C)O1 ZINC000034906700 557473919 /nfs/dbraw/zinc/47/39/19/557473919.db2.gz CPCXZQNLFGGQDQ-CEXWTWQISA-N 1 2 410.562 4.004 50 0 HIAALO O=C(NCc1ccccn1)[C@H]1CCCN(c2[nH+]c3ccccc3n2C2CCCC2)C1 ZINC000034906715 557473944 /nfs/dbraw/zinc/47/39/44/557473944.db2.gz VIGZPRJTRCKINX-SFHVURJKSA-N 1 2 403.530 4.079 50 0 HIAALO C[NH+](C)CCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@@H]1c1ccc(F)cc1 ZINC000002890328 557770329 /nfs/dbraw/zinc/77/03/29/557770329.db2.gz WABSAQLJPRHBPM-IBGZPJMESA-N 1 2 414.864 4.082 50 0 HIAALO C[N@@H+]1CCN(C(=O)c2csc3nc(-c4ccccc4)cn23)[C@@H](c2ccccc2)C1 ZINC000019733106 558260168 /nfs/dbraw/zinc/26/01/68/558260168.db2.gz KCDGWSJFJKICGW-HXUWFJFHSA-N 1 2 402.523 4.192 50 0 HIAALO C[N@H+]1CCN(C(=O)c2csc3nc(-c4ccccc4)cn23)[C@@H](c2ccccc2)C1 ZINC000019733106 558260170 /nfs/dbraw/zinc/26/01/70/558260170.db2.gz KCDGWSJFJKICGW-HXUWFJFHSA-N 1 2 402.523 4.192 50 0 HIAALO CC(C)n1cc(C[N@@H+]2CCC[C@H]2C(=O)Nc2ccccc2Oc2cccnc2)cn1 ZINC000011661175 558265264 /nfs/dbraw/zinc/26/52/64/558265264.db2.gz SFJNAFDYUUTANJ-NRFANRHFSA-N 1 2 405.502 4.254 50 0 HIAALO CC(C)n1cc(C[N@H+]2CCC[C@H]2C(=O)Nc2ccccc2Oc2cccnc2)cn1 ZINC000011661175 558265266 /nfs/dbraw/zinc/26/52/66/558265266.db2.gz SFJNAFDYUUTANJ-NRFANRHFSA-N 1 2 405.502 4.254 50 0 HIAALO CCOc1cc(C[NH+]2CCN(Cc3ccccc3C(F)(F)F)CC2)ccc1OC ZINC000019789415 558282275 /nfs/dbraw/zinc/28/22/75/558282275.db2.gz DUFKRRRSMJYSBN-UHFFFAOYSA-N 1 2 408.464 4.431 50 0 HIAALO CCOc1cc(CN2CC[NH+](Cc3ccccc3C(F)(F)F)CC2)ccc1OC ZINC000019789415 558282277 /nfs/dbraw/zinc/28/22/77/558282277.db2.gz DUFKRRRSMJYSBN-UHFFFAOYSA-N 1 2 408.464 4.431 50 0 HIAALO COc1cc(Nc2ncc3c(n2)CC[N@@H+](Cc2ccc(Cl)cc2)C3)cc(OC)c1 ZINC000021038746 558429935 /nfs/dbraw/zinc/42/99/35/558429935.db2.gz JBDJHGRECJFDFS-UHFFFAOYSA-N 1 2 410.905 4.449 50 0 HIAALO COc1cc(Nc2ncc3c(n2)CC[N@H+](Cc2ccc(Cl)cc2)C3)cc(OC)c1 ZINC000021038746 558429940 /nfs/dbraw/zinc/42/99/40/558429940.db2.gz JBDJHGRECJFDFS-UHFFFAOYSA-N 1 2 410.905 4.449 50 0 HIAALO CCCNC(=O)C[C@H](c1c[nH+]c2ccc(Cl)cn21)c1cc(OC)cc(OC)c1 ZINC000004381608 558484094 /nfs/dbraw/zinc/48/40/94/558484094.db2.gz NJLAUWJOPSGINN-SFHVURJKSA-N 1 2 401.894 4.053 50 0 HIAALO O=C(C[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1)Nc1c(Cl)cccc1Cl ZINC000012975251 558490990 /nfs/dbraw/zinc/49/09/90/558490990.db2.gz DGJNSLPJKODROR-AWEZNQCLSA-N 1 2 406.313 4.283 50 0 HIAALO O=C(C[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1)Nc1c(Cl)cccc1Cl ZINC000012975251 558490991 /nfs/dbraw/zinc/49/09/91/558490991.db2.gz DGJNSLPJKODROR-AWEZNQCLSA-N 1 2 406.313 4.283 50 0 HIAALO C[C@@H](c1nnc(SCC(=O)N2CCCC[C@H]2C)n1-c1ccc(Cl)cc1)[NH+](C)C ZINC000022612576 558502273 /nfs/dbraw/zinc/50/22/73/558502273.db2.gz HPCQERUUNKUMKV-CABCVRRESA-N 1 2 421.998 4.036 50 0 HIAALO COc1cccc(N2CC[NH+](CC(=O)N[C@H](C)c3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000013038649 558505726 /nfs/dbraw/zinc/50/57/26/558505726.db2.gz FXQWTZXRENFPMN-OAHLLOKOSA-N 1 2 422.356 4.001 50 0 HIAALO COc1ccc(C[N@H+](C)CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c(OC)c1 ZINC000013061937 558510021 /nfs/dbraw/zinc/51/00/21/558510021.db2.gz HBMFRXBMVLMMAX-UHFFFAOYSA-N 1 2 416.827 4.447 50 0 HIAALO COc1ccc(C[N@@H+](C)CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c(OC)c1 ZINC000013061937 558510023 /nfs/dbraw/zinc/51/00/23/558510023.db2.gz HBMFRXBMVLMMAX-UHFFFAOYSA-N 1 2 416.827 4.447 50 0 HIAALO Cc1sc2nc([C@@H](C)N3CC[NH+](Cc4cccc(Cl)c4)CC3)[nH]c(=O)c2c1C ZINC000022789342 558511916 /nfs/dbraw/zinc/51/19/16/558511916.db2.gz KPGAZMMNTZAAEV-CQSZACIVSA-N 1 2 416.978 4.134 50 0 HIAALO OCC[C@@H]1C[N@H+](Cc2ccccc2OC2CCCC2)CCN1Cc1ccsc1 ZINC000022926207 558523090 /nfs/dbraw/zinc/52/30/90/558523090.db2.gz VNDZWWLEVYUVMM-OAQYLSRUSA-N 1 2 400.588 4.138 50 0 HIAALO OCC[C@@H]1C[N@@H+](Cc2ccccc2OC2CCCC2)CCN1Cc1ccsc1 ZINC000022926207 558523094 /nfs/dbraw/zinc/52/30/94/558523094.db2.gz VNDZWWLEVYUVMM-OAQYLSRUSA-N 1 2 400.588 4.138 50 0 HIAALO CC[NH+]1CCN(C(=O)[C@H](C)Sc2nc(-c3cccs3)nc3ccccc32)CC1 ZINC000023329781 558549459 /nfs/dbraw/zinc/54/94/59/558549459.db2.gz FDALJQXTMQLLNA-HNNXBMFYSA-N 1 2 412.584 4.003 50 0 HIAALO C[N@@H+]1C[C@H](c2ccc(F)cc2)[C@@H](C(=O)c2cccs2)[C@]12C(=O)Nc1ccccc12 ZINC000013627413 558551253 /nfs/dbraw/zinc/55/12/53/558551253.db2.gz UQQFASCNTIPMOW-NIJIEXERSA-N 1 2 406.482 4.263 50 0 HIAALO C[N@H+]1C[C@H](c2ccc(F)cc2)[C@@H](C(=O)c2cccs2)[C@]12C(=O)Nc1ccccc12 ZINC000013627413 558551256 /nfs/dbraw/zinc/55/12/56/558551256.db2.gz UQQFASCNTIPMOW-NIJIEXERSA-N 1 2 406.482 4.263 50 0 HIAALO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3ccc(NC(=O)C4CC4)s3)n2)C1 ZINC000010907702 558557423 /nfs/dbraw/zinc/55/74/23/558557423.db2.gz VKQOCSUDRBXBOX-GFCCVEGCSA-N 1 2 404.561 4.037 50 0 HIAALO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3ccc(NC(=O)C4CC4)s3)n2)C1 ZINC000010907702 558557426 /nfs/dbraw/zinc/55/74/26/558557426.db2.gz VKQOCSUDRBXBOX-GFCCVEGCSA-N 1 2 404.561 4.037 50 0 HIAALO COc1ccccc1N1CCN([C@@H]2CCC[N@H+](Cc3nc(C(C)C)cs3)C2)CC1 ZINC000023430413 558558254 /nfs/dbraw/zinc/55/82/54/558558254.db2.gz QQOOTVJRUBROCD-LJQANCHMSA-N 1 2 414.619 4.062 50 0 HIAALO COc1ccccc1N1CCN([C@@H]2CCC[N@@H+](Cc3nc(C(C)C)cs3)C2)CC1 ZINC000023430413 558558256 /nfs/dbraw/zinc/55/82/56/558558256.db2.gz QQOOTVJRUBROCD-LJQANCHMSA-N 1 2 414.619 4.062 50 0 HIAALO 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HIAALO O=C(/C=C/c1cc(Br)ccc1F)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000027544751 568569767 /nfs/dbraw/zinc/56/97/67/568569767.db2.gz JZHVONSINIPDFW-VMPITWQZSA-N 1 2 414.278 4.163 50 0 HIAALO O=C(c1ccc(Cl)cc1Cl)[C@@H]1[C@@H]2C(=O)NC(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@@H+]21 ZINC000020358260 568600509 /nfs/dbraw/zinc/60/05/09/568600509.db2.gz YJWRXRFXIWIHSC-MHORFTMASA-N 1 2 413.260 4.315 50 0 HIAALO O=C(c1ccc(Cl)cc1Cl)[C@@H]1[C@@H]2C(=O)NC(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@H+]21 ZINC000020358260 568600510 /nfs/dbraw/zinc/60/05/10/568600510.db2.gz YJWRXRFXIWIHSC-MHORFTMASA-N 1 2 413.260 4.315 50 0 HIAALO C[N@H+](CC(=O)Nc1ccc(F)cc1Cl)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000095356869 568601469 /nfs/dbraw/zinc/60/14/69/568601469.db2.gz AOJAOLJZOIKNND-WMZOPIPTSA-N 1 2 417.695 4.315 50 0 HIAALO C[N@@H+](CC(=O)Nc1ccc(F)cc1Cl)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000095356869 568601472 /nfs/dbraw/zinc/60/14/72/568601472.db2.gz AOJAOLJZOIKNND-WMZOPIPTSA-N 1 2 417.695 4.315 50 0 HIAALO CC(C)(C)C(=O)Nc1ccccc1C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000095396490 568604378 /nfs/dbraw/zinc/60/43/78/568604378.db2.gz CYYGDQQPUMDQRN-UHFFFAOYSA-N 1 2 408.546 4.377 50 0 HIAALO Cc1cccc(C(=O)N2CC[NH+](Cc3ccc(OCC(F)(F)F)cc3)CC2)c1C ZINC000095400356 568605041 /nfs/dbraw/zinc/60/50/41/568605041.db2.gz ODSPMQYBGULQHR-UHFFFAOYSA-N 1 2 406.448 4.203 50 0 HIAALO CCc1csc(NC2CC[NH+]([C@@H](C)C(=O)Nc3ccc(OC(F)F)cc3)CC2)n1 ZINC000225388248 568633551 /nfs/dbraw/zinc/63/35/51/568633551.db2.gz DRHMGWULVIJOMZ-ZDUSSCGKSA-N 1 2 424.517 4.210 50 0 HIAALO Cc1ccc(NC(=S)N(CC[NH+]2CCOCC2)Cc2ccccc2F)cc1Cl ZINC000020678812 568640101 /nfs/dbraw/zinc/64/01/01/568640101.db2.gz VZBGRYRNJPFHPR-UHFFFAOYSA-N 1 2 421.969 4.319 50 0 HIAALO C[N@H+](CC(=O)Nc1ccccc1Br)[C@]1(c2ccccc2)CCCCC1=O ZINC000225571291 568652290 /nfs/dbraw/zinc/65/22/90/568652290.db2.gz HZTNLWDYAOVAPM-NRFANRHFSA-N 1 2 415.331 4.358 50 0 HIAALO C[N@@H+](CC(=O)Nc1ccccc1Br)[C@]1(c2ccccc2)CCCCC1=O ZINC000225571291 568652293 /nfs/dbraw/zinc/65/22/93/568652293.db2.gz HZTNLWDYAOVAPM-NRFANRHFSA-N 1 2 415.331 4.358 50 0 HIAALO CCN(Cc1ccc(OC)cc1OC)C(=O)N1C[C@H](n2cc[nH+]c2)Cc2ccccc21 ZINC000225646707 568659728 /nfs/dbraw/zinc/65/97/28/568659728.db2.gz DYHRREXLRVSXMY-HXUWFJFHSA-N 1 2 420.513 4.146 50 0 HIAALO COc1ccc(-c2nc(Cc3noc(C[NH+]4CCC(C(F)(F)F)CC4)n3)co2)cc1 ZINC000095940707 568661697 /nfs/dbraw/zinc/66/16/97/568661697.db2.gz DKLPXUPQDHFWEC-UHFFFAOYSA-N 1 2 422.407 4.098 50 0 HIAALO COc1c(Br)cc(Br)cc1C[NH2+]Cc1nc(C)cs1 ZINC000030636036 568674836 /nfs/dbraw/zinc/67/48/36/568674836.db2.gz LQYKKHRHJCGJKR-UHFFFAOYSA-N 1 2 406.143 4.275 50 0 HIAALO CC(C)(C)OC1CC([N@@H+]2CC[C@@H](c3ccc(F)cc3)[C@H](NC(=O)C(F)(F)F)C2)C1 ZINC000096009253 568683727 /nfs/dbraw/zinc/68/37/27/568683727.db2.gz NYMQBVRQYKCILL-ZGUYJTEBSA-N 1 2 416.459 4.008 50 0 HIAALO CC(C)(C)OC1CC([N@H+]2CC[C@@H](c3ccc(F)cc3)[C@H](NC(=O)C(F)(F)F)C2)C1 ZINC000096009253 568683730 /nfs/dbraw/zinc/68/37/30/568683730.db2.gz NYMQBVRQYKCILL-ZGUYJTEBSA-N 1 2 416.459 4.008 50 0 HIAALO Cn1cc[nH+]c1[C@H](NC(=O)c1cc(F)ccc1Br)c1ccc(Cl)cc1 ZINC000021601041 568722693 /nfs/dbraw/zinc/72/26/93/568722693.db2.gz UUYSYHYQBCZYSA-MRXNPFEDSA-N 1 2 422.685 4.495 50 0 HIAALO Cc1cccc(Cc2c(C)[nH+]c(C(C)C)nc2N2CCN(C(=O)c3ccco3)CC2)c1 ZINC000096317255 568726196 /nfs/dbraw/zinc/72/61/96/568726196.db2.gz VKCWWTINAZUBBS-UHFFFAOYSA-N 1 2 418.541 4.363 50 0 HIAALO Cc1[nH+]c(C(C)C)nc(N2CCN(C(=O)c3ccco3)CC2)c1Cc1ccccc1F ZINC000096317046 568726398 /nfs/dbraw/zinc/72/63/98/568726398.db2.gz JKIPWVORWPVLGU-UHFFFAOYSA-N 1 2 422.504 4.194 50 0 HIAALO Cc1cccc(Cc2c(C)[nH+]c(C3CC3)nc2N2CCN(C(=O)c3ccco3)CC2)c1 ZINC000096317268 568726535 /nfs/dbraw/zinc/72/65/35/568726535.db2.gz NWMQGIGCTLUVIK-UHFFFAOYSA-N 1 2 416.525 4.117 50 0 HIAALO CCNC(=O)N1CCN(c2nc(C)[nH+]c(C(C)C)c2Cc2cccc(Cl)c2)CC1 ZINC000096317759 568726788 /nfs/dbraw/zinc/72/67/88/568726788.db2.gz RKSQSDILTNKTTG-UHFFFAOYSA-N 1 2 415.969 4.004 50 0 HIAALO Cc1cccc(Cc2c(C)[nH+]c(CC(C)C)nc2N2CCN(C(=O)NC(C)C)CC2)c1 ZINC000096317507 568726886 /nfs/dbraw/zinc/72/68/86/568726886.db2.gz ROVHULFHKORARI-UHFFFAOYSA-N 1 2 423.605 4.123 50 0 HIAALO Cc1ccc(NC(=O)C[N@@H+]2CCc3[nH]c4c(C)ccc(C)c4c(=O)c3C2)cc1Cl ZINC000096326878 568734914 /nfs/dbraw/zinc/73/49/14/568734914.db2.gz NQINVIGTOGRWJP-UHFFFAOYSA-N 1 2 409.917 4.104 50 0 HIAALO Cc1ccc(NC(=O)C[N@H+]2CCc3[nH]c4c(C)ccc(C)c4c(=O)c3C2)cc1Cl ZINC000096326878 568734916 /nfs/dbraw/zinc/73/49/16/568734916.db2.gz NQINVIGTOGRWJP-UHFFFAOYSA-N 1 2 409.917 4.104 50 0 HIAALO COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@H+](Cc2noc(-c3ccc(C)cc3)n2)C1 ZINC000021724881 568751546 /nfs/dbraw/zinc/75/15/46/568751546.db2.gz QEPWLOKNSVYVPC-LJQANCHMSA-N 1 2 420.513 4.213 50 0 HIAALO COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@@H+](Cc2noc(-c3ccc(C)cc3)n2)C1 ZINC000021724881 568751548 /nfs/dbraw/zinc/75/15/48/568751548.db2.gz QEPWLOKNSVYVPC-LJQANCHMSA-N 1 2 420.513 4.213 50 0 HIAALO Cc1ccc(Nc2cc(N3CCN(C(=O)c4ccc(C)c(C)c4)CC3)[nH+]c(C)n2)cc1 ZINC000021793912 568753221 /nfs/dbraw/zinc/75/32/21/568753221.db2.gz WPQYLLXVUKXJIK-UHFFFAOYSA-N 1 2 415.541 4.416 50 0 HIAALO Cc1nc(Nc2ccc(NC(=O)c3ccccc3Cl)cc2)cc(N2CCOCC2)[nH+]1 ZINC000021794487 568753456 /nfs/dbraw/zinc/75/34/56/568753456.db2.gz SGNVRLBPTWSEDK-UHFFFAOYSA-N 1 2 423.904 4.271 50 0 HIAALO Cc1ccc(Nc2cc(N3CCN(C(=O)Nc4cccc(F)c4)CC3)[nH+]c(C)n2)cc1 ZINC000021795338 568753652 /nfs/dbraw/zinc/75/36/52/568753652.db2.gz ZUKIEZMBHRCVKI-UHFFFAOYSA-N 1 2 420.492 4.330 50 0 HIAALO O=C(NCc1cn2ccccc2[nH+]1)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1 ZINC000025323965 568763930 /nfs/dbraw/zinc/76/39/30/568763930.db2.gz RSNNPTSLFNBGBR-UHFFFAOYSA-N 1 2 417.856 4.363 50 0 HIAALO Cc1cc(Br)ccc1NC(=O)C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000052537470 568769794 /nfs/dbraw/zinc/76/97/94/568769794.db2.gz OAXDXTMEVDBLEK-UHFFFAOYSA-N 1 2 422.754 4.172 50 0 HIAALO Cc1cccc(Cn2nc(C[NH2+]Cc3nc4ccccc4[nH]3)c(-c3ccccc3)n2)c1 ZINC000261492200 568820392 /nfs/dbraw/zinc/82/03/92/568820392.db2.gz VAKAUNVDAKTYCC-UHFFFAOYSA-N 1 2 408.509 4.468 50 0 HIAALO O=C(NC[C@@H](c1ccco1)[NH+]1CCN(c2ccc(F)cc2)CC1)OCc1ccccc1 ZINC000056945680 568821714 /nfs/dbraw/zinc/82/17/14/568821714.db2.gz ASNILPDOVJQAJO-QFIPXVFZSA-N 1 2 423.488 4.208 50 0 HIAALO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000057315260 568826705 /nfs/dbraw/zinc/82/67/05/568826705.db2.gz ZULHBUMSVYZSPQ-FQEVSTJZSA-N 1 2 424.570 4.170 50 0 HIAALO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000057315260 568826707 /nfs/dbraw/zinc/82/67/07/568826707.db2.gz ZULHBUMSVYZSPQ-FQEVSTJZSA-N 1 2 424.570 4.170 50 0 HIAALO COc1ccc(NC2(C(=O)NCc3ccc4c(c3)[nH+]c(C)n4C)CCCCC2)cc1 ZINC000670426626 568834520 /nfs/dbraw/zinc/83/45/20/568834520.db2.gz ZDBOFMOTOKSHDO-UHFFFAOYSA-N 1 2 406.530 4.322 50 0 HIAALO CCOc1ccccc1N1CC[NH+](Cc2nc(-c3ccc(SC)cc3)no2)CC1 ZINC000057427654 568835805 /nfs/dbraw/zinc/83/58/05/568835805.db2.gz AHHCAILSJXNWTI-UHFFFAOYSA-N 1 2 410.543 4.179 50 0 HIAALO COc1cc(OC)cc([C@@H](NC(=O)Nc2ccc(Cl)cc2)c2[nH+]ccn2C)c1 ZINC000012507691 568839676 /nfs/dbraw/zinc/83/96/76/568839676.db2.gz WDHPGFWPKLGENT-GOSISDBHSA-N 1 2 400.866 4.002 50 0 HIAALO O=C(Nc1ccc2c(c1)[nH+]c1n2CCCCC1)[C@@H]1CCCN1C(=O)c1ccccc1 ZINC000012544602 568849898 /nfs/dbraw/zinc/84/98/98/568849898.db2.gz RUTCHKFRXKYMAC-NRFANRHFSA-N 1 2 402.498 4.006 50 0 HIAALO C[C@H](NC(=O)[C@H](C)Oc1ccc(Br)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000012551038 568853136 /nfs/dbraw/zinc/85/31/36/568853136.db2.gz KBVLJKLAYQKDEG-GJZGRUSLSA-N 1 2 414.303 4.280 50 0 HIAALO Cc1ccc(OCC(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)c(Br)c1 ZINC000012573280 568862249 /nfs/dbraw/zinc/86/22/49/568862249.db2.gz PPNARCGDZJFDBX-HNNXBMFYSA-N 1 2 414.303 4.199 50 0 HIAALO Cn1cc[nH+]c1[C@@H](NC(=O)COc1cc(Cl)ccc1Cl)c1ccc(F)cc1 ZINC000012576090 568862591 /nfs/dbraw/zinc/86/25/91/568862591.db2.gz VISFVKMBRRVORH-SFHVURJKSA-N 1 2 408.260 4.151 50 0 HIAALO CCOc1ccc(C(=O)CSc2nnc(C[NH+]3CCCC3)n2-c2ccccc2)cc1 ZINC000012595145 568868781 /nfs/dbraw/zinc/86/87/81/568868781.db2.gz NBNREORIPGJKMG-UHFFFAOYSA-N 1 2 422.554 4.237 50 0 HIAALO C[N@H+](C/C=C/c1ccco1)Cc1nnc(SCCCO)n1-c1cccc(Cl)c1 ZINC000299758935 568873178 /nfs/dbraw/zinc/87/31/78/568873178.db2.gz FSMSORWDWGRLSV-FPYGCLRLSA-N 1 2 418.950 4.133 50 0 HIAALO C[N@@H+](C/C=C/c1ccco1)Cc1nnc(SCCCO)n1-c1cccc(Cl)c1 ZINC000299758935 568873181 /nfs/dbraw/zinc/87/31/81/568873181.db2.gz FSMSORWDWGRLSV-FPYGCLRLSA-N 1 2 418.950 4.133 50 0 HIAALO CCOC(=O)/C=C/c1ccc(NC(=O)N[C@H](c2[nH+]ccn2C)c2cccc(F)c2)cc1 ZINC000057995584 568873429 /nfs/dbraw/zinc/87/34/29/568873429.db2.gz PUITUQXXLMMDJP-ZRFOIIEFSA-N 1 2 422.460 4.047 50 0 HIAALO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1ccc(C(=O)c2ccccc2)cc1 ZINC000003363839 568888704 /nfs/dbraw/zinc/88/87/04/568888704.db2.gz XTCSYYDHAUHJRG-JOCHJYFZSA-N 1 2 402.494 4.468 50 0 HIAALO C[N@@H+]1CCN(S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)[C@@H](c2ccccc2)C1 ZINC000025909889 568937385 /nfs/dbraw/zinc/93/73/85/568937385.db2.gz LJMIMBYMYGNHTC-MRXNPFEDSA-N 1 2 418.868 4.036 50 0 HIAALO C[N@H+]1CCN(S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)[C@@H](c2ccccc2)C1 ZINC000025909889 568937386 /nfs/dbraw/zinc/93/73/86/568937386.db2.gz LJMIMBYMYGNHTC-MRXNPFEDSA-N 1 2 418.868 4.036 50 0 HIAALO COC(=O)c1ccc(C)c(NC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)c1 ZINC000084186105 568943990 /nfs/dbraw/zinc/94/39/90/568943990.db2.gz LFKDRSBHASHFHB-RTWAWAEBSA-N 1 2 404.470 4.028 50 0 HIAALO O=C(c1ccc(N2CCc3ccccc32)s1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000015732290 568982111 /nfs/dbraw/zinc/98/21/11/568982111.db2.gz LRAUSVYPZNLBFG-UHFFFAOYSA-N 1 2 403.551 4.400 50 0 HIAALO Cc1cccc(NC(=O)NC(=O)C[N@@H+]2CCC[C@H]2c2nc3ccccc3s2)c1C ZINC000008313449 568989381 /nfs/dbraw/zinc/98/93/81/568989381.db2.gz TXFJASFYMVXACS-SFHVURJKSA-N 1 2 408.527 4.398 50 0 HIAALO Cc1cccc(NC(=O)NC(=O)C[N@H+]2CCC[C@H]2c2nc3ccccc3s2)c1C ZINC000008313449 568989383 /nfs/dbraw/zinc/98/93/83/568989383.db2.gz TXFJASFYMVXACS-SFHVURJKSA-N 1 2 408.527 4.398 50 0 HIAALO COC(=O)c1c(NC(=O)C[N@@H+]2CCC[C@H]2c2cccs2)sc2c1CCCC2 ZINC000008320731 568990480 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CC(=O)Nc1ccc2[nH+]c(N3CCC(C(=O)NCc4ccccc4)CC3)cc(C)c2c1 ZINC000021704277 519735058 /nfs/dbraw/zinc/73/50/58/519735058.db2.gz PZWFAQFHISIRDI-UHFFFAOYSA-N 1 2 416.525 4.034 50 0 HIAALO CC[C@@H](NC(=O)c1ccc(S(=O)(=O)Nc2cc[nH+]cc2)cc1)c1ccc(C)cc1 ZINC000032197442 522787629 /nfs/dbraw/zinc/78/76/29/522787629.db2.gz DGLSSRRPUXNKJD-OAQYLSRUSA-N 1 2 409.511 4.072 50 0 HIAALO COc1cc2cc(C(=O)Nc3nc(C[N@@H+]4CCC[C@@H](C)C4)cs3)[nH]c2c(OC)c1 ZINC000032909685 523055745 /nfs/dbraw/zinc/05/57/45/523055745.db2.gz FNMXPSNGIPJSRX-CYBMUJFWSA-N 1 2 414.531 4.126 50 0 HIAALO COc1cc2cc(C(=O)Nc3nc(C[N@H+]4CCC[C@@H](C)C4)cs3)[nH]c2c(OC)c1 ZINC000032909685 523055753 /nfs/dbraw/zinc/05/57/53/523055753.db2.gz FNMXPSNGIPJSRX-CYBMUJFWSA-N 1 2 414.531 4.126 50 0 HIAALO CCn1cc[nH+]c1CN1CCCC[C@H]1C(=O)Nc1ccc(Oc2ccccc2)nc1 ZINC000020455644 523528599 /nfs/dbraw/zinc/52/85/99/523528599.db2.gz GNMKAXGMMGBHCY-FQEVSTJZSA-N 1 2 405.502 4.084 50 0 HIAALO CN1c2ccccc2[C@]2(C1=O)c1[nH]c3ccccc3c1CCN2c1[nH]c2ccccc2[nH+]1 ZINC000040382385 524036971 /nfs/dbraw/zinc/03/69/71/524036971.db2.gz DRXFZDCRUPDIAX-AREMUKBSSA-N 1 2 419.488 4.327 50 0 HIAALO COc1ccccc1[C@@H](NC(=O)NCc1cccc(C(F)(F)F)c1)c1[nH+]ccn1C ZINC000032802551 524737931 /nfs/dbraw/zinc/73/79/31/524737931.db2.gz SMUWNHHSOVKEFE-GOSISDBHSA-N 1 2 418.419 4.036 50 0 HIAALO COc1ccc(OC)c(C[NH+]2CCN(C(=O)Nc3cccc4ccccc43)CC2)c1 ZINC000020541323 524826807 /nfs/dbraw/zinc/82/68/07/524826807.db2.gz UAAAVEYHERJVRB-UHFFFAOYSA-N 1 2 405.498 4.207 50 0 HIAALO C[C@@H]1CN(c2ccc(CNC(=O)c3cccc(Oc4ccccc4)c3)c[nH+]2)CCO1 ZINC000032930762 525065641 /nfs/dbraw/zinc/06/56/41/525065641.db2.gz RAEDJKKGGXSTIB-GOSISDBHSA-N 1 2 403.482 4.029 50 0 HIAALO C[C@@H](c1cc2ccccc2o1)N(C)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000045116978 526033244 /nfs/dbraw/zinc/03/32/44/526033244.db2.gz JTSNUXQTNVVIHV-SFHVURJKSA-N 1 2 407.514 4.168 50 0 HIAALO O=C(NC[C@H](c1ccccc1)[NH+]1CCOCC1)C1c2ccccc2Oc2ccccc21 ZINC000030699390 526579448 /nfs/dbraw/zinc/57/94/48/526579448.db2.gz JKBGUBVCMPNZAL-JOCHJYFZSA-N 1 2 414.505 4.114 50 0 HIAALO O=C(NCc1ccccc1C[NH+]1CCOCC1)c1ccc(SC(F)(F)F)cc1 ZINC000022880858 526744971 /nfs/dbraw/zinc/74/49/71/526744971.db2.gz FOSOFGFBZLYDFP-UHFFFAOYSA-N 1 2 410.461 4.061 50 0 HIAALO Cc1nc(-n2cccn2)cc(Nc2ccc(NC(=O)[C@@H](C)Oc3ccccc3)cc2)[nH+]1 ZINC000036705504 527002892 /nfs/dbraw/zinc/00/28/92/527002892.db2.gz ILQDYTQGTZWVES-MRXNPFEDSA-N 1 2 414.469 4.120 50 0 HIAALO O=C(Nc1cccc(CNc2[nH+]cnc3c2cnn3-c2ccccc2)c1)c1ccco1 ZINC000032825053 527338140 /nfs/dbraw/zinc/33/81/40/527338140.db2.gz OZKAVTLIZHQKOI-UHFFFAOYSA-N 1 2 410.437 4.273 50 0 HIAALO O=C(c1ccccc1)N1CCCCC[C@@H]1C1CC[NH+](Cc2nnc(C3CC3)o2)CC1 ZINC000071889322 557294232 /nfs/dbraw/zinc/29/42/32/557294232.db2.gz JZZNTAAYLJLCEO-OAQYLSRUSA-N 1 2 408.546 4.244 50 0 HIAALO Cc1ccc(NC(=O)c2coc(CN3CC[NH+](Cc4ccccc4F)CC3)n2)cc1C ZINC000034678171 557366314 /nfs/dbraw/zinc/36/63/14/557366314.db2.gz YVGBYCHUXUUWIM-UHFFFAOYSA-N 1 2 422.504 4.001 50 0 HIAALO O=C(c1ccc(F)cc1)N(C[C@@H]1C[N@H+](Cc2cccs2)CCO1)C1CCCC1 ZINC000034691959 557372584 /nfs/dbraw/zinc/37/25/84/557372584.db2.gz DSSCQZIDBOMASE-FQEVSTJZSA-N 1 2 402.535 4.173 50 0 HIAALO O=C(c1ccc(F)cc1)N(C[C@@H]1C[N@@H+](Cc2cccs2)CCO1)C1CCCC1 ZINC000034691959 557372588 /nfs/dbraw/zinc/37/25/88/557372588.db2.gz DSSCQZIDBOMASE-FQEVSTJZSA-N 1 2 402.535 4.173 50 0 HIAALO Cc1ccc(-[n+]2c(O)c(Cc3ccccc3)c(=O)n3nc(-c4ccccc4)ccc32)cc1 ZINC000004114557 557515332 /nfs/dbraw/zinc/51/53/32/557515332.db2.gz QJAKIKKJMJHLET-UHFFFAOYSA-O 1 2 420.492 4.243 50 0 HIAALO Cc1ccc(S(=O)(=O)c2nc(-c3ccccc3)oc2NCCCn2cc[nH+]c2)cc1 ZINC000006250830 557696322 /nfs/dbraw/zinc/69/63/22/557696322.db2.gz FEVVBMVPPOZDCM-UHFFFAOYSA-N 1 2 422.510 4.182 50 0 HIAALO O=C(c1ccccc1)[C@H](c1ccccc1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000019808207 558286109 /nfs/dbraw/zinc/28/61/09/558286109.db2.gz QISWCKXBCJZQKR-VWLOTQADSA-N 1 2 414.505 4.157 50 0 HIAALO O=C(c1ccccc1)[C@H](c1ccccc1)[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000019808207 558286113 /nfs/dbraw/zinc/28/61/13/558286113.db2.gz QISWCKXBCJZQKR-VWLOTQADSA-N 1 2 414.505 4.157 50 0 HIAALO COc1ccc(C[NH+]2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)cc1OC ZINC000019831334 558291714 /nfs/dbraw/zinc/29/17/14/558291714.db2.gz CJJBSODSKOXXSQ-UHFFFAOYSA-N 1 2 416.521 4.329 50 0 HIAALO O=C(N[C@@H]1CCCc2c1cnn2-c1ccccc1F)c1ccccc1-c1[nH]cc[nH+]1 ZINC000012306800 558375588 /nfs/dbraw/zinc/37/55/88/558375588.db2.gz SCTXPBKQOSRVAE-LJQANCHMSA-N 1 2 401.445 4.209 50 0 HIAALO Cc1cccc(-n2ncc3c2CCC[C@H]3NC(=O)c2ccc(-n3cc[nH+]c3)cc2)c1C ZINC000012315974 558379394 /nfs/dbraw/zinc/37/93/94/558379394.db2.gz IHIDYFAYIKKGHJ-JOCHJYFZSA-N 1 2 411.509 4.482 50 0 HIAALO COc1ccccc1NC(=O)CSc1[nH+]cnc2c1cnn2-c1ccc(C)cc1C ZINC000004341748 558425377 /nfs/dbraw/zinc/42/53/77/558425377.db2.gz GFRLOVDKTULBNJ-UHFFFAOYSA-N 1 2 419.510 4.172 50 0 HIAALO CCOc1ccc(C[N@@H+]2CCc3nc(Nc4ccc(OC)cc4OC)ncc3C2)cc1 ZINC000021261509 558434412 /nfs/dbraw/zinc/43/44/12/558434412.db2.gz BGFNUTPSAUPMCS-UHFFFAOYSA-N 1 2 420.513 4.194 50 0 HIAALO CCOc1ccc(C[N@H+]2CCc3nc(Nc4ccc(OC)cc4OC)ncc3C2)cc1 ZINC000021261509 558434414 /nfs/dbraw/zinc/43/44/14/558434414.db2.gz BGFNUTPSAUPMCS-UHFFFAOYSA-N 1 2 420.513 4.194 50 0 HIAALO O=c1[nH]c(C[N@H+](Cc2ccc(C(F)(F)F)cc2)C[C@@H]2CCCO2)nc2ccccc21 ZINC000021332880 558436059 /nfs/dbraw/zinc/43/60/59/558436059.db2.gz GOILEISJTKPHHA-KRWDZBQOSA-N 1 2 417.431 4.123 50 0 HIAALO O=c1[nH]c(C[N@@H+](Cc2ccc(C(F)(F)F)cc2)C[C@@H]2CCCO2)nc2ccccc21 ZINC000021332880 558436060 /nfs/dbraw/zinc/43/60/60/558436060.db2.gz GOILEISJTKPHHA-KRWDZBQOSA-N 1 2 417.431 4.123 50 0 HIAALO COc1cccc(OC[C@@H]2CCC[N@H+](Cc3nc(Cc4cccc(F)c4)no3)C2)c1 ZINC000012596559 558437906 /nfs/dbraw/zinc/43/79/06/558437906.db2.gz YPOPPKSYZCWTRC-GOSISDBHSA-N 1 2 411.477 4.099 50 0 HIAALO COc1cccc(OC[C@@H]2CCC[N@@H+](Cc3nc(Cc4cccc(F)c4)no3)C2)c1 ZINC000012596559 558437909 /nfs/dbraw/zinc/43/79/09/558437909.db2.gz YPOPPKSYZCWTRC-GOSISDBHSA-N 1 2 411.477 4.099 50 0 HIAALO Cc1ccc(NC(=O)N2CCN(c3cc(Nc4ccc(C)cc4)nc(C)[nH+]3)CC2)cc1 ZINC000021795334 558449660 /nfs/dbraw/zinc/44/96/60/558449660.db2.gz QGXIENGVCOKSFH-UHFFFAOYSA-N 1 2 416.529 4.500 50 0 HIAALO COc1ccc(C[N@H+](C)Cc2nc(-c3cccc(OC)c3OC)oc2C)cc1OC ZINC000012758443 558460688 /nfs/dbraw/zinc/46/06/88/558460688.db2.gz NGSNFXYAJHOSJH-UHFFFAOYSA-N 1 2 412.486 4.316 50 0 HIAALO COc1ccc(C[N@@H+](C)Cc2nc(-c3cccc(OC)c3OC)oc2C)cc1OC ZINC000012758443 558460690 /nfs/dbraw/zinc/46/06/90/558460690.db2.gz NGSNFXYAJHOSJH-UHFFFAOYSA-N 1 2 412.486 4.316 50 0 HIAALO c1csc(-c2csc3nc(CN4CCOCC4)[nH+]c(NN4CCCCC4)c23)c1 ZINC000012800580 558471633 /nfs/dbraw/zinc/47/16/33/558471633.db2.gz JDDPGTDEEPPEID-UHFFFAOYSA-N 1 2 415.588 4.065 50 0 HIAALO C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)C[N@H+](Cc1ccco1)Cc1cccs1 ZINC000012989857 558496336 /nfs/dbraw/zinc/49/63/36/558496336.db2.gz UJMFEVVLCREMEA-MRXNPFEDSA-N 1 2 409.511 4.107 50 0 HIAALO C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)C[N@@H+](Cc1ccco1)Cc1cccs1 ZINC000012989857 558496340 /nfs/dbraw/zinc/49/63/40/558496340.db2.gz UJMFEVVLCREMEA-MRXNPFEDSA-N 1 2 409.511 4.107 50 0 HIAALO C[N@@H+]1CCc2nc(NC(=O)c3cc(-c4cccs4)nn3-c3ccccc3)sc2C1 ZINC000022760331 558508300 /nfs/dbraw/zinc/50/83/00/558508300.db2.gz UXNDZRINMSGUEJ-UHFFFAOYSA-N 1 2 421.551 4.298 50 0 HIAALO C[N@H+]1CCc2nc(NC(=O)c3cc(-c4cccs4)nn3-c3ccccc3)sc2C1 ZINC000022760331 558508304 /nfs/dbraw/zinc/50/83/04/558508304.db2.gz UXNDZRINMSGUEJ-UHFFFAOYSA-N 1 2 421.551 4.298 50 0 HIAALO COc1cccc(-c2nc(C)c(C(=O)Nc3ccc(C[NH+]4CCOCC4)cc3)s2)c1 ZINC000013688434 558571012 /nfs/dbraw/zinc/57/10/12/558571012.db2.gz PVUYWEKLWFHIAZ-UHFFFAOYSA-N 1 2 423.538 4.212 50 0 HIAALO O=C(c1ccc(-n2cnc3ccccc32)cc1)N1CC[NH+](Cc2cccs2)CC1 ZINC000023736523 558572087 /nfs/dbraw/zinc/57/20/87/558572087.db2.gz CEDILTPILQJJLX-UHFFFAOYSA-N 1 2 402.523 4.045 50 0 HIAALO O=C(N[C@H](C[NH+]1CCOCC1)c1ccccc1)c1ccc(COc2ccccc2)cc1 ZINC000023873009 558578838 /nfs/dbraw/zinc/57/88/38/558578838.db2.gz DJNRYHABHACMAL-RUZDIDTESA-N 1 2 416.521 4.069 50 0 HIAALO O=C(c1cc(C2CC2)nn1-c1ccccc1)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000023881457 558579758 /nfs/dbraw/zinc/57/97/58/558579758.db2.gz RXZLFESEYCCPPE-UHFFFAOYSA-N 1 2 420.944 4.361 50 0 HIAALO COc1ccc(C[NH+]2CCN(C(=O)c3sc(-c4ccccc4)nc3C)CC2)cc1 ZINC000024118996 558589903 /nfs/dbraw/zinc/58/99/03/558589903.db2.gz OLYFLMHOPGXHKL-UHFFFAOYSA-N 1 2 407.539 4.085 50 0 HIAALO Brc1ccccc1OCc1cccc(-c2[nH]n3cnc4nncc-4c3[nH+]2)c1 ZINC000013960062 558608358 /nfs/dbraw/zinc/60/83/58/558608358.db2.gz WLFSKBFNGSJZPV-UHFFFAOYSA-N 1 2 421.258 4.009 50 0 HIAALO CN(C)S(=O)(=O)c1cccc(C[N@@H+]2CCc3sccc3[C@H]2c2ccccc2)c1 ZINC000014070259 558617410 /nfs/dbraw/zinc/61/74/10/558617410.db2.gz NVXBITAOVSFUJG-JOCHJYFZSA-N 1 2 412.580 4.146 50 0 HIAALO CN(C)S(=O)(=O)c1cccc(C[N@H+]2CCc3sccc3[C@H]2c2ccccc2)c1 ZINC000014070259 558617413 /nfs/dbraw/zinc/61/74/13/558617413.db2.gz NVXBITAOVSFUJG-JOCHJYFZSA-N 1 2 412.580 4.146 50 0 HIAALO Cc1nn(-c2ccccc2)c(C)c1C[N@@H+](C)[C@@H](C(=O)N1CCCC1)c1ccccc1 ZINC000014095407 558619885 /nfs/dbraw/zinc/61/98/85/558619885.db2.gz ODFIGMMRYJHZLO-XMMPIXPASA-N 1 2 402.542 4.285 50 0 HIAALO Cc1nn(-c2ccccc2)c(C)c1C[N@H+](C)[C@@H](C(=O)N1CCCC1)c1ccccc1 ZINC000014095407 558619888 /nfs/dbraw/zinc/61/98/88/558619888.db2.gz ODFIGMMRYJHZLO-XMMPIXPASA-N 1 2 402.542 4.285 50 0 HIAALO COc1cc(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)cc(Cl)c1OC ZINC000024979107 558624014 /nfs/dbraw/zinc/62/40/14/558624014.db2.gz PZNJTWLVFACKQS-GFCCVEGCSA-N 1 2 409.939 4.298 50 0 HIAALO COc1cc(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)cc(Cl)c1OC ZINC000024979107 558624016 /nfs/dbraw/zinc/62/40/16/558624016.db2.gz PZNJTWLVFACKQS-GFCCVEGCSA-N 1 2 409.939 4.298 50 0 HIAALO CCOC(=O)c1sc2nc(C[NH2+][C@H](C)c3ccccc3Cl)nc(N)c2c1C ZINC000025059308 558629502 /nfs/dbraw/zinc/62/95/02/558629502.db2.gz AHQCIWBYCPSYHA-LLVKDONJSA-N 1 2 404.923 4.263 50 0 HIAALO C[C@H](NC(=O)Nc1cccc(C(F)(F)F)c1)[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000025514796 558642485 /nfs/dbraw/zinc/64/24/85/558642485.db2.gz DXOVRMHKWKICOH-HNAYVOBHSA-N 1 2 407.436 4.289 50 0 HIAALO Clc1snnc1CSc1nnc(C[NH+]2CCCCC2)n1Cc1ccccc1 ZINC000025748125 558648833 /nfs/dbraw/zinc/64/88/33/558648833.db2.gz OLVRYJGMSGSMAW-UHFFFAOYSA-N 1 2 420.995 4.110 50 0 HIAALO CSc1ccc(C[N@H+](C)Cn2ncn(-c3cccc(NC(C)=O)c3)c2=S)cc1 ZINC000026552605 558662914 /nfs/dbraw/zinc/66/29/14/558662914.db2.gz AWKSCGWAAYJVIG-UHFFFAOYSA-N 1 2 413.572 4.173 50 0 HIAALO CSc1ccc(C[N@@H+](C)Cn2ncn(-c3cccc(NC(C)=O)c3)c2=S)cc1 ZINC000026552605 558662918 /nfs/dbraw/zinc/66/29/18/558662918.db2.gz AWKSCGWAAYJVIG-UHFFFAOYSA-N 1 2 413.572 4.173 50 0 HIAALO CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2nc(C3(c4ccc(C)cc4)CCCC3)no2)C1 ZINC000014950634 558681132 /nfs/dbraw/zinc/68/11/32/558681132.db2.gz CTIZGDMHVAAOCV-FQEVSTJZSA-N 1 2 424.589 4.319 50 0 HIAALO CCN(CC)C(=O)[C@H]1CCC[N@@H+](Cc2nc(C3(c4ccc(C)cc4)CCCC3)no2)C1 ZINC000014950634 558681133 /nfs/dbraw/zinc/68/11/33/558681133.db2.gz CTIZGDMHVAAOCV-FQEVSTJZSA-N 1 2 424.589 4.319 50 0 HIAALO Cc1cccc(C[N@H+](C)Cc2nnc(SCc3ccccn3)n2C[C@H]2CCCO2)c1 ZINC000014991376 558694625 /nfs/dbraw/zinc/69/46/25/558694625.db2.gz RTHGFQXPDLCCPQ-OAQYLSRUSA-N 1 2 423.586 4.085 50 0 HIAALO Cc1cccc(C[N@@H+](C)Cc2nnc(SCc3ccccn3)n2C[C@H]2CCCO2)c1 ZINC000014991376 558694627 /nfs/dbraw/zinc/69/46/27/558694627.db2.gz RTHGFQXPDLCCPQ-OAQYLSRUSA-N 1 2 423.586 4.085 50 0 HIAALO CC(C)c1ccc([C@@H](CNC(=O)COc2ccc(Cl)cc2)[NH+]2CCOCC2)cc1 ZINC000028291043 558697407 /nfs/dbraw/zinc/69/74/07/558697407.db2.gz WTRIYCIRXRCFEG-JOCHJYFZSA-N 1 2 416.949 4.032 50 0 HIAALO O=C([C@H](Sc1ccccc1)c1ccccc1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000028693357 558703712 /nfs/dbraw/zinc/70/37/12/558703712.db2.gz DAXXMXFAAQVQQW-HSZRJFAPSA-N 1 2 403.551 4.259 50 0 HIAALO Cn1cc[nH+]c1[C@H](NC(=O)CCCSc1nc2ccccc2[nH]1)c1cccc(F)c1 ZINC000029085576 558709743 /nfs/dbraw/zinc/70/97/43/558709743.db2.gz ZPZUIWHAZGMRMW-HXUWFJFHSA-N 1 2 423.517 4.214 50 0 HIAALO CSc1nc(-c2cccs2)nc(C)c1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000029107312 558709916 /nfs/dbraw/zinc/70/99/16/558709916.db2.gz XYRFQIJEVIIVNY-UHFFFAOYSA-N 1 2 424.595 4.193 50 0 HIAALO COc1cc(OC)c(C2=CC[N@H+](Cc3nnc(-c4ccccc4)o3)CC2)c(OC)c1 ZINC000011060855 558721744 /nfs/dbraw/zinc/72/17/44/558721744.db2.gz BAZLZZGCTAPWPG-UHFFFAOYSA-N 1 2 407.470 4.052 50 0 HIAALO COc1cc(OC)c(C2=CC[N@@H+](Cc3nnc(-c4ccccc4)o3)CC2)c(OC)c1 ZINC000011060855 558721746 /nfs/dbraw/zinc/72/17/46/558721746.db2.gz BAZLZZGCTAPWPG-UHFFFAOYSA-N 1 2 407.470 4.052 50 0 HIAALO COc1ccc2cc([C@H](C)C(=O)NC[C@H](c3cccs3)[NH+]3CCOCC3)ccc2c1 ZINC000029843879 558722218 /nfs/dbraw/zinc/72/22/18/558722218.db2.gz FAMZLCVZBXGRJE-HTAPYJJXSA-N 1 2 424.566 4.203 50 0 HIAALO C[N@@H+]1CCc2nc(NC(=O)c3csc(COc4ccc(Cl)cc4)n3)sc2C1 ZINC000030870164 558743137 /nfs/dbraw/zinc/74/31/37/558743137.db2.gz HCPWOCXKKBHFJK-UHFFFAOYSA-N 1 2 420.947 4.072 50 0 HIAALO C[N@H+]1CCc2nc(NC(=O)c3csc(COc4ccc(Cl)cc4)n3)sc2C1 ZINC000030870164 558743139 /nfs/dbraw/zinc/74/31/39/558743139.db2.gz HCPWOCXKKBHFJK-UHFFFAOYSA-N 1 2 420.947 4.072 50 0 HIAALO O=C(COc1coc(C[N@@H+]2CCc3ccccc3C2)cc1=O)c1ccc(Cl)cc1 ZINC000004583987 558774549 /nfs/dbraw/zinc/77/45/49/558774549.db2.gz AOCALPVFDVMJBC-UHFFFAOYSA-N 1 2 409.869 4.113 50 0 HIAALO O=C(COc1coc(C[N@H+]2CCc3ccccc3C2)cc1=O)c1ccc(Cl)cc1 ZINC000004583987 558774551 /nfs/dbraw/zinc/77/45/51/558774551.db2.gz AOCALPVFDVMJBC-UHFFFAOYSA-N 1 2 409.869 4.113 50 0 HIAALO CCc1[nH+]c2ccccc2n1C[C@@H](COc1ccc(Br)cc1)OC(C)=O ZINC000016286429 558783763 /nfs/dbraw/zinc/78/37/63/558783763.db2.gz XXBBIXWRTKOJFF-KRWDZBQOSA-N 1 2 417.303 4.372 50 0 HIAALO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)N(C)Cc2ccc(Cl)s2)c(OC)c1 ZINC000016382632 558788871 /nfs/dbraw/zinc/78/88/71/558788871.db2.gz QQTDMGGZCFCJES-QGZVFWFLSA-N 1 2 408.951 4.214 50 0 HIAALO COc1ccc([C@H]2CCC[N@H+]2CC(=O)N(C)Cc2ccc(Cl)s2)c(OC)c1 ZINC000016382632 558788872 /nfs/dbraw/zinc/78/88/72/558788872.db2.gz QQTDMGGZCFCJES-QGZVFWFLSA-N 1 2 408.951 4.214 50 0 HIAALO O=C(c1ccc2cc[nH+]c(N3CCN(c4ccccc4)CC3)c2c1)N1CCCCC1 ZINC000035512340 558793070 /nfs/dbraw/zinc/79/30/70/558793070.db2.gz MZQMWOGIWPCIFG-UHFFFAOYSA-N 1 2 400.526 4.188 50 0 HIAALO Cn1cc[nH+]c1[C@H](NC(=O)Cc1csc(-c2ccccc2)n1)c1ccc(F)cc1 ZINC000016978012 558811169 /nfs/dbraw/zinc/81/11/69/558811169.db2.gz RXUOTMWYVFJPTQ-HXUWFJFHSA-N 1 2 406.486 4.131 50 0 HIAALO Cc1ccc(S(=O)(=O)N2CC[NH+](Cc3ccc(C(C)(C)C)cc3)CC2)c(C)c1 ZINC000017082067 558814038 /nfs/dbraw/zinc/81/40/38/558814038.db2.gz UQMDPBXFHKQXKA-UHFFFAOYSA-N 1 2 400.588 4.107 50 0 HIAALO COc1ccc(OC)c(-c2nc(C[N@@H+]3CCN(C)[C@H](c4ccccc4)C3)c(C)o2)c1 ZINC000039364493 558820411 /nfs/dbraw/zinc/82/04/11/558820411.db2.gz IWZFUEKXQZHCRN-QFIPXVFZSA-N 1 2 407.514 4.156 50 0 HIAALO COc1ccc(OC)c(-c2nc(C[N@H+]3CCN(C)[C@H](c4ccccc4)C3)c(C)o2)c1 ZINC000039364493 558820413 /nfs/dbraw/zinc/82/04/13/558820413.db2.gz IWZFUEKXQZHCRN-QFIPXVFZSA-N 1 2 407.514 4.156 50 0 HIAALO CCOc1ccc(CNC(=O)C2CCN(c3[nH]c4ccc(Cl)cc4[nH+]3)CC2)cc1 ZINC000033071205 558866506 /nfs/dbraw/zinc/86/65/06/558866506.db2.gz SGIWIQSSPQYRMR-UHFFFAOYSA-N 1 2 412.921 4.148 50 0 HIAALO CSc1ccc(CCNC(=O)[C@@H]2CCCN(c3[nH]c4ccc(C)cc4[nH+]3)C2)cc1 ZINC000033072210 558866806 /nfs/dbraw/zinc/86/68/06/558866806.db2.gz NEXISPPJKZWGRQ-GOSISDBHSA-N 1 2 408.571 4.169 50 0 HIAALO CSc1ccc(CCNC(=O)[C@@H]2CCCN(c3[nH]c4cc(C)ccc4[nH+]3)C2)cc1 ZINC000033072210 558866809 /nfs/dbraw/zinc/86/68/09/558866809.db2.gz NEXISPPJKZWGRQ-GOSISDBHSA-N 1 2 408.571 4.169 50 0 HIAALO Cc1cc(N2CCOCC2)nc(Nc2ccc(NC(=O)c3ccccc3Cl)cc2)[nH+]1 ZINC000033078160 558867612 /nfs/dbraw/zinc/86/76/12/558867612.db2.gz QZIAAZXMKVCAPO-UHFFFAOYSA-N 1 2 423.904 4.271 50 0 HIAALO Cc1cc(N2CCOCC2)nc(Nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)[nH+]1 ZINC000033078161 558867728 /nfs/dbraw/zinc/86/77/28/558867728.db2.gz QJZGNGJTWMFWRZ-UHFFFAOYSA-N 1 2 423.904 4.271 50 0 HIAALO COc1ccc(-c2nn(-c3ccccc3C)cc2C[N@H+](C)Cc2cnccn2)cc1F ZINC000055198515 558875748 /nfs/dbraw/zinc/87/57/48/558875748.db2.gz CYQABBVRMPHLKK-UHFFFAOYSA-N 1 2 417.488 4.417 50 0 HIAALO COc1ccc(-c2nn(-c3ccccc3C)cc2C[N@@H+](C)Cc2cnccn2)cc1F ZINC000055198515 558875750 /nfs/dbraw/zinc/87/57/50/558875750.db2.gz CYQABBVRMPHLKK-UHFFFAOYSA-N 1 2 417.488 4.417 50 0 HIAALO C[NH+](C)Cc1nc2ccccc2c(=O)n1Cc1nc(-c2cc3ccccc3o2)cs1 ZINC000058159473 558904394 /nfs/dbraw/zinc/90/43/94/558904394.db2.gz UTVJAJZRXFBKKN-UHFFFAOYSA-N 1 2 416.506 4.376 50 0 HIAALO Cc1cc(C[NH+]2CCN(c3ncnc4sc(-c5ccccc5)c(C)c43)CC2)no1 ZINC000058175462 558909258 /nfs/dbraw/zinc/90/92/58/558909258.db2.gz JZXNVUIPXPXOKJ-UHFFFAOYSA-N 1 2 405.527 4.285 50 0 HIAALO CCCCCCNC(=O)[C@H]1CCC[N@@H+]([C@@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)C1 ZINC000058201334 558911273 /nfs/dbraw/zinc/91/12/73/558911273.db2.gz QGPIQYKLTJLTSX-RDJZCZTQSA-N 1 2 418.607 4.071 50 0 HIAALO CCCCCCNC(=O)[C@H]1CCC[N@H+]([C@@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)C1 ZINC000058201334 558911277 /nfs/dbraw/zinc/91/12/77/558911277.db2.gz QGPIQYKLTJLTSX-RDJZCZTQSA-N 1 2 418.607 4.071 50 0 HIAALO C[C@H](Oc1ccc(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)cn1)c1ccccc1 ZINC000059251356 558932685 /nfs/dbraw/zinc/93/26/85/558932685.db2.gz BWLQRVPOVJWEOL-SFHVURJKSA-N 1 2 402.498 4.147 50 0 HIAALO CC(C)NC(=O)c1ccc2cc[nH+]c(N3CCN(c4ccc(Cl)cc4)CC3)c2c1 ZINC000064667885 558965159 /nfs/dbraw/zinc/96/51/59/558965159.db2.gz KNXREAFZUCYBCA-UHFFFAOYSA-N 1 2 408.933 4.353 50 0 HIAALO Cc1ccc(NC(=O)N2CCN(c3cc(C)[nH+]c(Nc4ccc(C)cc4)n3)CC2)cc1 ZINC000064800287 558966047 /nfs/dbraw/zinc/96/60/47/558966047.db2.gz IPYSVSFBHWOBPT-UHFFFAOYSA-N 1 2 416.529 4.500 50 0 HIAALO CC(=O)N1CCC[N@H+](Cc2nc(-c3cccc(Oc4ccccc4)c3)oc2C)CC1 ZINC000072407895 558977110 /nfs/dbraw/zinc/97/71/10/558977110.db2.gz MSVXMLIFUFNKDU-UHFFFAOYSA-N 1 2 405.498 4.497 50 0 HIAALO CC(=O)N1CCC[N@@H+](Cc2nc(-c3cccc(Oc4ccccc4)c3)oc2C)CC1 ZINC000072407895 558977114 /nfs/dbraw/zinc/97/71/14/558977114.db2.gz MSVXMLIFUFNKDU-UHFFFAOYSA-N 1 2 405.498 4.497 50 0 HIAALO Cc1noc(C[N@@H+](C)Cc2cc3cc4c(cc3nc2-c2ccc(F)cc2)OCO4)n1 ZINC000072412200 558977811 /nfs/dbraw/zinc/97/78/11/558977811.db2.gz LAHUUJMORVIBBX-UHFFFAOYSA-N 1 2 406.417 4.093 50 0 HIAALO Cc1noc(C[N@H+](C)Cc2cc3cc4c(cc3nc2-c2ccc(F)cc2)OCO4)n1 ZINC000072412200 558977813 /nfs/dbraw/zinc/97/78/13/558977813.db2.gz LAHUUJMORVIBBX-UHFFFAOYSA-N 1 2 406.417 4.093 50 0 HIAALO Cc1cccc(C(=O)N(CCC[NH+]2CCOCC2)c2nc3ccc(F)cc3s2)c1 ZINC000022997686 558982007 /nfs/dbraw/zinc/98/20/07/558982007.db2.gz IGQWYCUUHARGCK-UHFFFAOYSA-N 1 2 413.518 4.113 50 0 HIAALO COc1ccc(Cl)cc1C(=O)NC[C@@H](c1cccc2ccccc21)[NH+]1CCOCC1 ZINC000023106413 559010083 /nfs/dbraw/zinc/01/00/83/559010083.db2.gz MFGGCVIOJUGRQU-QFIPXVFZSA-N 1 2 424.928 4.305 50 0 HIAALO Cc1nc(N(C)C)cc(Nc2ccc(NS(=O)(=O)c3ccccc3Cl)cc2)[nH+]1 ZINC000033318462 559055819 /nfs/dbraw/zinc/05/58/19/559055819.db2.gz BOSDXAGPQPFBEA-UHFFFAOYSA-N 1 2 417.922 4.049 50 0 HIAALO Cc1nc(Nc2ccc(NS(=O)(=O)c3ccccc3Cl)cc2)cc(N(C)C)[nH+]1 ZINC000033318462 559055821 /nfs/dbraw/zinc/05/58/21/559055821.db2.gz BOSDXAGPQPFBEA-UHFFFAOYSA-N 1 2 417.922 4.049 50 0 HIAALO Cc1nc(Nc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)cc(N(C)C)[nH+]1 ZINC000033318453 559055945 /nfs/dbraw/zinc/05/59/45/559055945.db2.gz LVMKUDILKMMVEW-UHFFFAOYSA-N 1 2 417.922 4.049 50 0 HIAALO Cc1cccc(-c2nc(C[NH+]3CCC(C(=O)Nc4cccc(F)c4C)CC3)no2)c1 ZINC000033327693 559060521 /nfs/dbraw/zinc/06/05/21/559060521.db2.gz ZHYILBYTFKWUIG-UHFFFAOYSA-N 1 2 408.477 4.343 50 0 HIAALO NC1=C(c2nc(-c3ccccc3)cs2)C(=O)CN1CCc1[nH]c2ccccc2[nH+]1 ZINC000252571551 559278206 /nfs/dbraw/zinc/27/82/06/559278206.db2.gz YEVKWWVWKPAXTM-UHFFFAOYSA-N 1 2 401.495 4.491 50 0 HIAALO Cc1ccc(NC(=O)NCc2[nH+]ccn2CCc2ccccc2)cc1OCC(F)F ZINC000079051738 560541544 /nfs/dbraw/zinc/54/15/44/560541544.db2.gz LQJHGRDOLROLJM-UHFFFAOYSA-N 1 2 414.456 4.400 50 0 HIAALO CCC[N@H+](CC(=O)Nc1ccc(F)c(F)c1F)CC(=O)Nc1c(C)cc(C)cc1C ZINC000003540401 560596217 /nfs/dbraw/zinc/59/62/17/560596217.db2.gz BJUDAFJFSOJARO-UHFFFAOYSA-N 1 2 421.463 4.318 50 0 HIAALO CCC[N@@H+](CC(=O)Nc1ccc(F)c(F)c1F)CC(=O)Nc1c(C)cc(C)cc1C ZINC000003540401 560596218 /nfs/dbraw/zinc/59/62/18/560596218.db2.gz BJUDAFJFSOJARO-UHFFFAOYSA-N 1 2 421.463 4.318 50 0 HIAALO C[C@H](NC(=O)COc1ccc(Br)cc1F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000018047773 560773942 /nfs/dbraw/zinc/77/39/42/560773942.db2.gz VBTOWUNUGSSMJC-ZDUSSCGKSA-N 1 2 418.266 4.030 50 0 HIAALO CCc1[nH+]c(C(C)C)nc(N2CCN(C(C)=O)CC2)c1Cc1c(F)cccc1Cl ZINC000096317538 560848823 /nfs/dbraw/zinc/84/88/23/560848823.db2.gz JIWDRJQKXYOAFV-UHFFFAOYSA-N 1 2 418.944 4.214 50 0 HIAALO CC[NH+]1CCN(C(=O)[C@@H](C)Sc2nnc(-c3ccc(F)cc3)c3ccccc32)CC1 ZINC000048235371 568432851 /nfs/dbraw/zinc/43/28/51/568432851.db2.gz JNCSTHANDVYJID-MRXNPFEDSA-N 1 2 424.545 4.081 50 0 HIAALO Cc1nc2cc(Cl)ccc2cc1C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC000048289328 568434920 /nfs/dbraw/zinc/43/49/20/568434920.db2.gz YKRADZCNXKTGAF-HUUCEWRRSA-N 1 2 424.932 4.135 50 0 HIAALO C[C@H](Oc1ccc(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)cn1)c1ccccc1 ZINC000048291121 568435371 /nfs/dbraw/zinc/43/53/71/568435371.db2.gz IHSSUJHHQLEMAR-SFHVURJKSA-N 1 2 402.498 4.147 50 0 HIAALO O=C(CSc1[nH+]cnc2c1cnn2-c1ccccc1)Nc1ccc2c(c1)CCC2 ZINC000007735237 568483835 /nfs/dbraw/zinc/48/38/35/568483835.db2.gz VYLUTSOZZSJAMV-UHFFFAOYSA-N 1 2 401.495 4.035 50 0 HIAALO Cc1ccc2[nH+]c(COc3cccc(C(=O)N4CCc5sccc5C4)c3)cn2c1 ZINC000022375965 568484445 /nfs/dbraw/zinc/48/44/45/568484445.db2.gz FLEDZTOEKCWYAF-UHFFFAOYSA-N 1 2 403.507 4.482 50 0 HIAALO CCSc1[nH+]ccc2c1ccn2CC(=O)NCc1cccc(Br)c1 ZINC000033298675 568513190 /nfs/dbraw/zinc/51/31/90/568513190.db2.gz MWKQEHMTDPTLNL-UHFFFAOYSA-N 1 2 404.333 4.227 50 0 HIAALO Cc1cc(=O)c(O)c(CN2CC[NH+]([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)o1 ZINC000095479836 568632882 /nfs/dbraw/zinc/63/28/82/568632882.db2.gz JIBCPBZKKWSDBK-QHCPKHFHSA-N 1 2 424.928 4.214 50 0 HIAALO COc1cc(-c2n[nH]cc2C[N@@H+]2CCc3c4ccccc4[nH]c3C2)cc(OC)c1OC ZINC000020911352 568650839 /nfs/dbraw/zinc/65/08/39/568650839.db2.gz AENFZXLRMPEPOO-UHFFFAOYSA-N 1 2 418.497 4.142 50 0 HIAALO COc1cc(-c2n[nH]cc2C[N@H+]2CCc3c4ccccc4[nH]c3C2)cc(OC)c1OC ZINC000020911352 568650841 /nfs/dbraw/zinc/65/08/41/568650841.db2.gz AENFZXLRMPEPOO-UHFFFAOYSA-N 1 2 418.497 4.142 50 0 HIAALO Cc1nc2cc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)ccc2n1-c1ccccc1 ZINC000021005064 568657606 /nfs/dbraw/zinc/65/76/06/568657606.db2.gz OMZLLWWPNDLNAI-UHFFFAOYSA-N 1 2 410.521 4.292 50 0 HIAALO O=C(N[C@@H](CO)c1cccc(Br)c1)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000095983353 568675602 /nfs/dbraw/zinc/67/56/02/568675602.db2.gz NPWUOMIVCFATAT-IBGZPJMESA-N 1 2 413.271 4.100 50 0 HIAALO Fc1ccc(C(c2ccc(F)cc2)[NH+]2CCN(Cc3nnsc3Cl)CC2)cc1 ZINC000095989747 568677607 /nfs/dbraw/zinc/67/76/07/568677607.db2.gz BUKLYQIGVYPUEX-UHFFFAOYSA-N 1 2 420.916 4.377 50 0 HIAALO Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+]1CCN(C(=O)C(C)(C)C)CC1(C)C ZINC000095997177 568679213 /nfs/dbraw/zinc/67/92/13/568679213.db2.gz XWKBGEVLDCJKLE-UHFFFAOYSA-N 1 2 400.542 4.097 50 0 HIAALO Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+]1CCN(C(=O)C(C)(C)C)CC1(C)C ZINC000095997177 568679216 /nfs/dbraw/zinc/67/92/16/568679216.db2.gz XWKBGEVLDCJKLE-UHFFFAOYSA-N 1 2 400.542 4.097 50 0 HIAALO O=C(/C=C\c1ccc(Cl)c(C(F)(F)F)c1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000096124579 568700843 /nfs/dbraw/zinc/70/08/43/568700843.db2.gz OYNPOAMUHGPDPJ-RQOWECAXSA-N 1 2 409.839 4.111 50 0 HIAALO CCc1cccc2c([C@@H](CC(=O)NCC[NH+]3CCOCC3)C3CCCCC3)c[nH]c21 ZINC000096278910 568716932 /nfs/dbraw/zinc/71/69/32/568716932.db2.gz LLONZZITRPOPDP-QFIPXVFZSA-N 1 2 411.590 4.233 50 0 HIAALO Cn1cc[nH+]c1[C@@H](NC(=O)c1cc(F)ccc1Br)c1ccc(Cl)cc1 ZINC000021601039 568722681 /nfs/dbraw/zinc/72/26/81/568722681.db2.gz UUYSYHYQBCZYSA-INIZCTEOSA-N 1 2 422.685 4.495 50 0 HIAALO O=C(C[NH+]1CCN(Cc2c(Cl)cccc2Cl)CC1)NCCC1=CCCCC1 ZINC000096299970 568723403 /nfs/dbraw/zinc/72/34/03/568723403.db2.gz VTNYRINQWQVTQU-UHFFFAOYSA-N 1 2 410.389 4.118 50 0 HIAALO CCc1[nH+]c(C2CC2)nc(N2CCN(C(=O)C3CC3)CC2)c1Cc1cc(C)ccc1C ZINC000096317338 568726667 /nfs/dbraw/zinc/72/66/67/568726667.db2.gz CDDMCZCMGUNQCX-UHFFFAOYSA-N 1 2 418.585 4.183 50 0 HIAALO C[NH+](C)[C@@H](c1nc([C@@H](NC(=O)OC(C)(C)C)c2ccccc2)no1)c1ccccc1 ZINC000240626801 568730277 /nfs/dbraw/zinc/73/02/77/568730277.db2.gz HJECVIKFKKHPOP-RBUKOAKNSA-N 1 2 408.502 4.335 50 0 HIAALO Cc1cccc(NC(=O)C2CC[NH+](Cc3noc(-c4ccc(F)cc4)n3)CC2)c1C ZINC000021724450 568751017 /nfs/dbraw/zinc/75/10/17/568751017.db2.gz FKQDMDUXNJEPDM-UHFFFAOYSA-N 1 2 408.477 4.343 50 0 HIAALO Cc1ccccc1OCC[N@@H+](C)Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1 ZINC000015099653 568755917 /nfs/dbraw/zinc/75/59/17/568755917.db2.gz TWXTYBGPYZPOHA-UHFFFAOYSA-N 1 2 405.523 4.471 50 0 HIAALO Cc1ccccc1OCC[N@H+](C)Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1 ZINC000015099653 568755920 /nfs/dbraw/zinc/75/59/20/568755920.db2.gz TWXTYBGPYZPOHA-UHFFFAOYSA-N 1 2 405.523 4.471 50 0 HIAALO C[C@@H](NC(=O)c1ccccc1)[C@@H](c1cccs1)[NH+]1CCN(Cc2ccccc2)CC1 ZINC000022460357 568768487 /nfs/dbraw/zinc/76/84/87/568768487.db2.gz NRFGFEROVBIHSJ-YKSBVNFPSA-N 1 2 419.594 4.426 50 0 HIAALO CC[N@H+](CCCNC(=O)COc1ccc2c(c1)C(=O)CC(C)(C)O2)c1cccc(C)c1 ZINC000002923161 568817058 /nfs/dbraw/zinc/81/70/58/568817058.db2.gz KKPMERVLLHYGNO-UHFFFAOYSA-N 1 2 424.541 4.150 50 0 HIAALO CC[N@@H+](CCCNC(=O)COc1ccc2c(c1)C(=O)CC(C)(C)O2)c1cccc(C)c1 ZINC000002923161 568817061 /nfs/dbraw/zinc/81/70/61/568817061.db2.gz KKPMERVLLHYGNO-UHFFFAOYSA-N 1 2 424.541 4.150 50 0 HIAALO O=C(NC[C@H](c1ccco1)[NH+]1CCN(c2ccccc2F)CC1)OCc1ccccc1 ZINC000056945950 568821819 /nfs/dbraw/zinc/82/18/19/568821819.db2.gz QMSFCVFHROHKBD-JOCHJYFZSA-N 1 2 423.488 4.208 50 0 HIAALO CSc1ccc(-c2noc(C[NH+]3CCN(c4cccc(Cl)c4)CC3)n2)cc1 ZINC000057427661 568835819 /nfs/dbraw/zinc/83/58/19/568835819.db2.gz KRRAYUNERKXEAM-UHFFFAOYSA-N 1 2 400.935 4.434 50 0 HIAALO COc1ccc([C@H](NC(=O)C(C)(C)Oc2ccc(Cl)cc2)c2[nH+]ccn2C)cc1 ZINC000012507083 568839421 /nfs/dbraw/zinc/83/94/21/568839421.db2.gz INJUEJVHEXMEDW-IBGZPJMESA-N 1 2 413.905 4.145 50 0 HIAALO COc1ccc(-c2csc(NC(=O)c3ccc(-n4cc[nH+]c4)cc3)n2)c(OC)c1 ZINC000012535570 568845266 /nfs/dbraw/zinc/84/52/66/568845266.db2.gz QEPRCFDSCVJDNE-UHFFFAOYSA-N 1 2 406.467 4.265 50 0 HIAALO CCC1=Nc2cc(C(=O)NCC[NH+]3CCOCC3)ccc2Sc2ccc(C)cc21 ZINC000003036665 568845768 /nfs/dbraw/zinc/84/57/68/568845768.db2.gz QORNMMMLWALPIM-UHFFFAOYSA-N 1 2 409.555 4.052 50 0 HIAALO Cn1cc[nH+]c1[C@@H](NC(=O)CSCc1ccc(Cl)s1)c1ccccc1F ZINC000012548017 568851170 /nfs/dbraw/zinc/85/11/70/568851170.db2.gz OZIGNAGFXANLRN-KRWDZBQOSA-N 1 2 409.939 4.413 50 0 HIAALO Cc1nc2ccc(Cl)cc2cc1C(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000029928916 568852421 /nfs/dbraw/zinc/85/24/21/568852421.db2.gz BELASHZGUWAEJZ-UHFFFAOYSA-N 1 2 421.928 4.090 50 0 HIAALO O=C(Cc1csc(-c2ccccc2Cl)n1)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000012552116 568853973 /nfs/dbraw/zinc/85/39/73/568853973.db2.gz ACWJSOHLYZPHAY-UHFFFAOYSA-N 1 2 412.946 4.318 50 0 HIAALO Cn1cc[nH+]c1[C@H](NC(=O)Cc1coc2cc3c(cc12)CCC3)c1cccc(F)c1 ZINC000012560082 568857535 /nfs/dbraw/zinc/85/75/35/568857535.db2.gz WEDXBXPCBWKLFA-HSZRJFAPSA-N 1 2 403.457 4.242 50 0 HIAALO COc1cc(C[N@H+](C)Cc2nc3sc(C)c(C)c3c(N)n2)ccc1OC(F)F ZINC000012564810 568859782 /nfs/dbraw/zinc/85/97/82/568859782.db2.gz XHJUZOKBAQFBLS-UHFFFAOYSA-N 1 2 408.474 4.132 50 0 HIAALO COc1cc(C[N@@H+](C)Cc2nc3sc(C)c(C)c3c(N)n2)ccc1OC(F)F ZINC000012564810 568859784 /nfs/dbraw/zinc/85/97/84/568859784.db2.gz XHJUZOKBAQFBLS-UHFFFAOYSA-N 1 2 408.474 4.132 50 0 HIAALO C[N@H+](CCOc1ccc(Cl)cc1)Cc1nc2sc3c(c2c(N)n1)CCCC3 ZINC000012569424 568861378 /nfs/dbraw/zinc/86/13/78/568861378.db2.gz NKTZRZLTSNQZKY-UHFFFAOYSA-N 1 2 402.951 4.317 50 0 HIAALO C[N@@H+](CCOc1ccc(Cl)cc1)Cc1nc2sc3c(c2c(N)n1)CCCC3 ZINC000012569424 568861381 /nfs/dbraw/zinc/86/13/81/568861381.db2.gz NKTZRZLTSNQZKY-UHFFFAOYSA-N 1 2 402.951 4.317 50 0 HIAALO O=C(CSc1[nH+]cnc2c1cnn2-c1ccccc1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000012600897 568869874 /nfs/dbraw/zinc/86/98/74/568869874.db2.gz XBLDLJHUTZQLGQ-APWZRJJASA-N 1 2 407.543 4.089 50 0 HIAALO CCOc1c(Cl)cc(CN[C@@H](c2[nH+]ccn2C)c2ccccc2F)cc1OC ZINC000030646535 568878682 /nfs/dbraw/zinc/87/86/82/568878682.db2.gz XYSTVKGWGOJDIE-LJQANCHMSA-N 1 2 403.885 4.499 50 0 HIAALO O=C(NC[C@@H](c1cccnc1)[NH+]1CCN(c2ccccc2)CC1)c1cccc(Cl)c1 ZINC000058133859 568889950 /nfs/dbraw/zinc/88/99/50/568889950.db2.gz FYYRMVPYYHKJMG-QHCPKHFHSA-N 1 2 420.944 4.028 50 0 HIAALO CC[C@H](c1nnc(SCC(=O)c2ccccc2F)n1Cc1ccccc1)[NH+](C)C ZINC000004494597 568917740 /nfs/dbraw/zinc/91/77/40/568917740.db2.gz GYHWLVUMQOXOHH-LJQANCHMSA-N 1 2 412.534 4.453 50 0 HIAALO COc1ccc(NC(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2)cc1OC ZINC000012758926 568943610 /nfs/dbraw/zinc/94/36/10/568943610.db2.gz ZTNJUFPKEXBIMO-QHCPKHFHSA-N 1 2 408.523 4.352 50 0 HIAALO COc1ccc(NC(=O)C[N@H+]2CCc3sccc3[C@@H]2c2ccccc2)cc1OC ZINC000012758926 568943613 /nfs/dbraw/zinc/94/36/13/568943613.db2.gz ZTNJUFPKEXBIMO-QHCPKHFHSA-N 1 2 408.523 4.352 50 0 HIAALO COC(=O)c1ccc(NC(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2)cc1 ZINC000012758909 568943625 /nfs/dbraw/zinc/94/36/25/568943625.db2.gz XJKQPNJAPOFZDE-QFIPXVFZSA-N 1 2 406.507 4.121 50 0 HIAALO COC(=O)c1ccc(NC(=O)C[N@H+]2CCc3sccc3[C@@H]2c2ccccc2)cc1 ZINC000012758909 568943627 /nfs/dbraw/zinc/94/36/27/568943627.db2.gz XJKQPNJAPOFZDE-QFIPXVFZSA-N 1 2 406.507 4.121 50 0 HIAALO Cn1c2ccccc2c(Br)c1C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000084311305 568945957 /nfs/dbraw/zinc/94/59/57/568945957.db2.gz ONTRQOLDNSCSBX-UHFFFAOYSA-N 1 2 409.287 4.057 50 0 HIAALO Cc1ccc(CNC(=O)CSc2ccc(-c3ccc(-n4cc[nH+]c4)cc3)nn2)cc1 ZINC000004251315 568955209 /nfs/dbraw/zinc/95/52/09/568955209.db2.gz QDMIHVVFHWMCKZ-UHFFFAOYSA-N 1 2 415.522 4.046 50 0 HIAALO COc1ccc([C@H]2CCC[N@@H+]2Cn2nc(-c3ccccc3)n(C)c2=S)c(OC)c1 ZINC000008151264 568977515 /nfs/dbraw/zinc/97/75/15/568977515.db2.gz FOAHZHORIMZLHB-LJQANCHMSA-N 1 2 410.543 4.430 50 0 HIAALO COc1ccc([C@H]2CCC[N@H+]2Cn2nc(-c3ccccc3)n(C)c2=S)c(OC)c1 ZINC000008151264 568977517 /nfs/dbraw/zinc/97/75/17/568977517.db2.gz FOAHZHORIMZLHB-LJQANCHMSA-N 1 2 410.543 4.430 50 0 HIAALO C[C@@H](NC(=O)c1ccc(OCc2cscn2)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000008159511 568978815 /nfs/dbraw/zinc/97/88/15/568978815.db2.gz GRTUHHYSBIYMHE-MRXNPFEDSA-N 1 2 404.495 4.399 50 0 HIAALO CCOC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)C1 ZINC000006051425 568988065 /nfs/dbraw/zinc/98/80/65/568988065.db2.gz AQEULXLJDLNFGC-WDEREUQCSA-N 1 2 407.725 4.249 50 0 HIAALO CCOC(=O)[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)C1 ZINC000006051425 568988067 /nfs/dbraw/zinc/98/80/67/568988067.db2.gz AQEULXLJDLNFGC-WDEREUQCSA-N 1 2 407.725 4.249 50 0 HIAALO Clc1cccc(C[N@@H+]2CCc3nc(N4CCN(c5ccccc5)CC4)ncc3C2)c1 ZINC000015779490 569001868 /nfs/dbraw/zinc/00/18/68/569001868.db2.gz AGQXJQTYWPRJBI-UHFFFAOYSA-N 1 2 419.960 4.015 50 0 HIAALO Clc1cccc(C[N@H+]2CCc3nc(N4CCN(c5ccccc5)CC4)ncc3C2)c1 ZINC000015779490 569001870 /nfs/dbraw/zinc/00/18/70/569001870.db2.gz AGQXJQTYWPRJBI-UHFFFAOYSA-N 1 2 419.960 4.015 50 0 HIAALO Cc1cc(N2CCN([C@H](C)C(=O)Nc3cc(Cl)ccc3C)CC2)nc(C(C)C)[nH+]1 ZINC000012822135 569006092 /nfs/dbraw/zinc/00/60/92/569006092.db2.gz KMAGRMQNGADCKE-QGZVFWFLSA-N 1 2 415.969 4.019 50 0 HIAALO O=C(C[NH+]1CCC(C(=O)Nc2ccccc2)CC1)Nc1cc(Cl)ccc1Cl ZINC000012867443 569012232 /nfs/dbraw/zinc/01/22/32/569012232.db2.gz MYDNLIMTEALGGO-UHFFFAOYSA-N 1 2 406.313 4.283 50 0 HIAALO COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@H+](CC(=O)Nc1ccccc1F)CC2 ZINC000035262624 569015561 /nfs/dbraw/zinc/01/55/61/569015561.db2.gz APONHMVMZVHQOM-VWLOTQADSA-N 1 2 420.484 4.429 50 0 HIAALO COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@@H+](CC(=O)Nc1ccccc1F)CC2 ZINC000035262624 569015562 /nfs/dbraw/zinc/01/55/62/569015562.db2.gz APONHMVMZVHQOM-VWLOTQADSA-N 1 2 420.484 4.429 50 0 HIAALO O=C(CCC(=O)N1CCCCCC1)Nc1cccc(CCc2[nH]c3ccccc3[nH+]2)c1 ZINC000015863638 569016175 /nfs/dbraw/zinc/01/61/75/569016175.db2.gz OLOURNHKXOZLAJ-UHFFFAOYSA-N 1 2 418.541 4.469 50 0 HIAALO CC[C@H](c1nnc(SCc2ccc3c(c2)OCO3)n1Cc1ccccc1)[NH+](C)C ZINC000012941130 569028619 /nfs/dbraw/zinc/02/86/19/569028619.db2.gz VBWVGGCJOAYACX-GOSISDBHSA-N 1 2 410.543 4.360 50 0 HIAALO O=C(Cc1ccc(F)cc1)N(CCCn1cc[nH+]c1)c1nc2ccc(F)cc2s1 ZINC000007424655 569031707 /nfs/dbraw/zinc/03/17/07/569031707.db2.gz UYADTMCBNMOBKS-UHFFFAOYSA-N 1 2 412.465 4.437 50 0 HIAALO C[N@@H+]1C[C@H](c2ccc(F)cc2)[C@H](C(=O)c2ccccc2)[C@]12C(=O)Nc1ccccc12 ZINC000035378246 569034290 /nfs/dbraw/zinc/03/42/90/569034290.db2.gz VZTBVUOWGVPCNQ-OPJGWUQDSA-N 1 2 400.453 4.201 50 0 HIAALO C[N@H+]1C[C@H](c2ccc(F)cc2)[C@H](C(=O)c2ccccc2)[C@]12C(=O)Nc1ccccc12 ZINC000035378246 569034291 /nfs/dbraw/zinc/03/42/91/569034291.db2.gz VZTBVUOWGVPCNQ-OPJGWUQDSA-N 1 2 400.453 4.201 50 0 HIAALO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCCO3)c1C ZINC000239672519 569054456 /nfs/dbraw/zinc/05/44/56/569054456.db2.gz BTNSEHIHODGSEL-LPHOPBHVSA-N 1 2 410.514 4.404 50 0 HIAALO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCCO3)c1C ZINC000239672519 569054457 /nfs/dbraw/zinc/05/44/57/569054457.db2.gz BTNSEHIHODGSEL-LPHOPBHVSA-N 1 2 410.514 4.404 50 0 HIAALO C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+](C)C[C@H]1COc2ccccc2O1 ZINC000241590535 569054748 /nfs/dbraw/zinc/05/47/48/569054748.db2.gz PFQSWBRCPJILMX-ICSRJNTNSA-N 1 2 402.494 4.452 50 0 HIAALO C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+](C)C[C@H]1COc2ccccc2O1 ZINC000241590535 569054749 /nfs/dbraw/zinc/05/47/49/569054749.db2.gz PFQSWBRCPJILMX-ICSRJNTNSA-N 1 2 402.494 4.452 50 0 HIAALO Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)N(C)[C@@H](C)c3cccnc3)csc2C1 ZINC000426545132 569073436 /nfs/dbraw/zinc/07/34/36/569073436.db2.gz UWALRLTXLQHVLR-HNNXBMFYSA-N 1 2 410.543 4.139 50 0 HIAALO Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)N(C)[C@@H](C)c3cccnc3)csc2C1 ZINC000426545132 569073437 /nfs/dbraw/zinc/07/34/37/569073437.db2.gz UWALRLTXLQHVLR-HNNXBMFYSA-N 1 2 410.543 4.139 50 0 HIAALO CCc1nc2n(n1)C(=O)C([C@H](c1ccc(OC)cc1)[NH+]1C[C@@H](C)C[C@H](C)C1)S2 ZINC000036104854 569092637 /nfs/dbraw/zinc/09/26/37/569092637.db2.gz LROPGLBQDUOMDS-DEYYWGMASA-N 1 2 400.548 4.135 50 0 HIAALO O=c1[nH]c(C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCCO3)nc2ccc(Cl)cc12 ZINC000036385393 569160099 /nfs/dbraw/zinc/16/00/99/569160099.db2.gz VNHPXSWQNFGWHY-GOSISDBHSA-N 1 2 411.889 4.487 50 0 HIAALO O=c1[nH]c(C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCCO3)nc2ccc(Cl)cc12 ZINC000036385393 569160101 /nfs/dbraw/zinc/16/01/01/569160101.db2.gz VNHPXSWQNFGWHY-GOSISDBHSA-N 1 2 411.889 4.487 50 0 HIAALO Cc1cc(N2CCCC2)nc(SCc2ccc(C(=O)NCc3ccco3)cc2)[nH+]1 ZINC000006870303 569160303 /nfs/dbraw/zinc/16/03/03/569160303.db2.gz QUGQICYFDIIEGF-UHFFFAOYSA-N 1 2 408.527 4.201 50 0 HIAALO COc1ccc(NC(=O)CC[C@@H]2CCCN(c3cc(NC4CC4)[nH+]cn3)C2)c(C)c1 ZINC000065245304 569205218 /nfs/dbraw/zinc/20/52/18/569205218.db2.gz ANYUVJXVUOTMMY-KRWDZBQOSA-N 1 2 409.534 4.003 50 0 HIAALO COc1ccc(NC(=O)CC[C@@H]2CCCN(c3cc(NC4CC4)nc[nH+]3)C2)c(C)c1 ZINC000065245304 569205219 /nfs/dbraw/zinc/20/52/19/569205219.db2.gz ANYUVJXVUOTMMY-KRWDZBQOSA-N 1 2 409.534 4.003 50 0 HIAALO O=C(c1ccc(COc2ccc(F)cc2)cc1)N1CC[NH+](Cc2cccs2)CC1 ZINC000036611244 569208789 /nfs/dbraw/zinc/20/87/89/569208789.db2.gz QGYCCTZZURLUKU-UHFFFAOYSA-N 1 2 410.514 4.424 50 0 HIAALO COc1cccc(CC(=O)N2CCC[C@@]3(C2)Nc2ccccc2NC3=[NH+]C(C)(C)C)c1 ZINC000065260049 569210884 /nfs/dbraw/zinc/21/08/84/569210884.db2.gz MWNILJMEEOCZPP-VWLOTQADSA-N 1 2 420.557 4.143 50 0 HIAALO CC(C)Cc1nnc([C@@H](C)[N@@H+]2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)o1 ZINC000089856590 569267287 /nfs/dbraw/zinc/26/72/87/569267287.db2.gz WYYWNSFIAPYTII-OAHLLOKOSA-N 1 2 405.930 4.222 50 0 HIAALO CC(C)Cc1nnc([C@@H](C)[N@H+]2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)o1 ZINC000089856590 569267288 /nfs/dbraw/zinc/26/72/88/569267288.db2.gz WYYWNSFIAPYTII-OAHLLOKOSA-N 1 2 405.930 4.222 50 0 HIAALO Cc1cc2[nH+]c(Cc3ccccc3F)n(CCC(=O)NCc3ccccn3)c2cc1C ZINC000037397099 569296412 /nfs/dbraw/zinc/29/64/12/569296412.db2.gz WVRZZZQCQVWVNX-UHFFFAOYSA-N 1 2 416.500 4.485 50 0 HIAALO Cn1nc(-c2cccc(Br)c2)c2c1nc[nH+]c2N1Cc2ccccc2C1 ZINC000095629465 569359219 /nfs/dbraw/zinc/35/92/19/569359219.db2.gz SBFIHABNLMQUOK-UHFFFAOYSA-N 1 2 406.287 4.313 50 0 HIAALO O=C(N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)c1sccc1Br ZINC000078975786 569422770 /nfs/dbraw/zinc/42/27/70/569422770.db2.gz QTHOUOMIQLAPOL-CVEARBPZSA-N 1 2 402.317 4.366 50 0 HIAALO CCOc1ccc(CSc2nnc(C[NH+]3CCCCC3)n2Cc2ccccc2)nc1 ZINC000079051169 569425573 /nfs/dbraw/zinc/42/55/73/569425573.db2.gz VZPXDWRYWSNKAV-UHFFFAOYSA-N 1 2 423.586 4.398 50 0 HIAALO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)c2cc(Br)ccc2Cl)CC1 ZINC000079353381 569430438 /nfs/dbraw/zinc/43/04/38/569430438.db2.gz JVYJSNQCGXVZOS-ZDUSSCGKSA-N 1 2 408.727 4.017 50 0 HIAALO COc1ccc(CNc2c(C(=O)N3CCCC3)c[nH+]c3ccc(F)cc32)cc1OC ZINC000067288230 571066089 /nfs/dbraw/zinc/06/60/89/571066089.db2.gz BSLWALLOJFULGZ-UHFFFAOYSA-N 1 2 409.461 4.239 50 0 HIAALO COC[C@@H](C)n1c(=O)c2ccccc2nc1SCc1[nH+]ccn1Cc1ccccc1 ZINC000040067292 571148322 /nfs/dbraw/zinc/14/83/22/571148322.db2.gz ZQZCOLGELGAGSN-QGZVFWFLSA-N 1 2 420.538 4.141 50 0 HIAALO O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)N1CC[NH+](Cc2ccco2)CC1 ZINC000040103791 571164482 /nfs/dbraw/zinc/16/44/82/571164482.db2.gz ZAKOJPMVXCTIBL-UHFFFAOYSA-N 1 2 422.451 4.248 50 0 HIAALO C[C@H](OC(=O)c1c[nH+]c2ccccc2c1N)C(=O)Nc1cccc(Cl)c1Cl ZINC000040105446 571166246 /nfs/dbraw/zinc/16/62/46/571166246.db2.gz NWAPIOWQBGJCBF-JTQLQIEISA-N 1 2 404.253 4.308 50 0 HIAALO Cc1c(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)oc2c1C(=O)CCC2 ZINC000040144780 571194687 /nfs/dbraw/zinc/19/46/87/571194687.db2.gz KUAWRJRMOAKBHQ-UHFFFAOYSA-N 1 2 400.906 4.155 50 0 HIAALO CC[C@@H](C)[N@H+](Cc1nc(C(=O)N[C@@H](C)CC)co1)Cc1cc(OC)ccc1OC ZINC000245280002 571222749 /nfs/dbraw/zinc/22/27/49/571222749.db2.gz LZRHHXWVPIBWRK-JKSUJKDBSA-N 1 2 403.523 4.021 50 0 HIAALO CC[C@@H](C)[N@@H+](Cc1nc(C(=O)N[C@@H](C)CC)co1)Cc1cc(OC)ccc1OC ZINC000245280002 571222751 /nfs/dbraw/zinc/22/27/51/571222751.db2.gz LZRHHXWVPIBWRK-JKSUJKDBSA-N 1 2 403.523 4.021 50 0 HIAALO COc1ccc(CCNc2[nH+]cnc3c2cnn3Cc2ccccc2Cl)cc1OC ZINC000009410566 571255833 /nfs/dbraw/zinc/25/58/33/571255833.db2.gz ZHBAEZKLGWIMRP-UHFFFAOYSA-N 1 2 423.904 4.200 50 0 HIAALO COc1c(C)c[nH+]c(Cn2cccc(-c3nc(-c4ccccc4Cl)no3)c2=O)c1C ZINC000077100867 571311489 /nfs/dbraw/zinc/31/14/89/571311489.db2.gz OKZRQABUIHZQGF-UHFFFAOYSA-N 1 2 422.872 4.287 50 0 HIAALO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@@H+]1CCc2sccc2[C@@H]1C1CC1 ZINC000007880186 845439534 /nfs/dbraw/zinc/43/95/34/845439534.db2.gz BQBVYFGTZBHKFP-QHCPKHFHSA-N 1 2 406.555 4.499 50 0 HIAALO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@H+]1CCc2sccc2[C@@H]1C1CC1 ZINC000007880186 845439538 /nfs/dbraw/zinc/43/95/38/845439538.db2.gz BQBVYFGTZBHKFP-QHCPKHFHSA-N 1 2 406.555 4.499 50 0 HIAALO CCn1c2ccccc2nc1C[NH+]1CCC(O)(Cc2cc(-c3ccccc3)no2)CC1 ZINC000012433622 845869953 /nfs/dbraw/zinc/86/99/53/845869953.db2.gz SETUAOJBHRNFRW-UHFFFAOYSA-N 1 2 416.525 4.281 50 0 HIAALO C[C@@H](NC(=O)CN1CC[NH+](C/C=C\c2ccccc2)CC1)c1cccc2ccccc21 ZINC000096905321 852557300 /nfs/dbraw/zinc/55/73/00/852557300.db2.gz HSUGOZNKBAQYIB-KKCDMYQCSA-N 1 2 413.565 4.348 50 0 HIAALO O=C(c1ccccc1C(F)(F)F)N1C[C@H](COc2cc[nH+]cc2)C2(C1)CCOCC2 ZINC000257174514 854232891 /nfs/dbraw/zinc/23/28/91/854232891.db2.gz HTOXBAUVZLFVQZ-MRXNPFEDSA-N 1 2 420.431 4.048 50 0 HIAALO Cc1c[nH+]c(-c2ccccc2)n1C[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 ZINC000575547700 948675965 /nfs/dbraw/zinc/67/59/65/948675965.db2.gz RQGAMUQQMARDTC-NRFANRHFSA-N 1 2 409.555 4.101 50 0 HIAALO Cn1c(C(=O)N2CCN(c3cccc[nH+]3)CC2)cc2cc(Oc3ccccc3)ccc21 ZINC000004711092 132284783 /nfs/dbraw/zinc/28/47/83/132284783.db2.gz XYJNKYTYWPXRAW-UHFFFAOYSA-N 1 2 412.493 4.328 50 0 HIAALO COc1cc2c(cc1OC)[C@H](C)N(c1[nH+]cnc3c1cnn3-c1cccc(C)c1)CC2 ZINC000006302562 132310334 /nfs/dbraw/zinc/31/03/34/132310334.db2.gz VZOTXCUSFLLOBS-INIZCTEOSA-N 1 2 415.497 4.265 50 0 HIAALO CC(C)[C@@H](Sc1[nH+]cnc2c1cnn2C)C(=O)Nc1ccccc1C(F)(F)F ZINC000032331078 519801392 /nfs/dbraw/zinc/80/13/92/519801392.db2.gz XWYKVMWAKOEEEN-CQSZACIVSA-N 1 2 409.437 4.138 50 0 HIAALO CC(C)c1cc(C(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)c2ccccc2n1 ZINC000031952746 519831534 /nfs/dbraw/zinc/83/15/34/519831534.db2.gz MZIXAPUJQCYESM-UHFFFAOYSA-N 1 2 415.537 4.251 50 0 HIAALO COc1ccc(OCC(=O)Nc2ccc(CCc3[nH+]c4ccccc4n3C)cc2)cc1 ZINC000032960895 524935215 /nfs/dbraw/zinc/93/52/15/524935215.db2.gz RTMZAKDBJMVBEW-UHFFFAOYSA-N 1 2 415.493 4.385 50 0 HIAALO O=C(c1ccc(Br)cc1F)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000032768141 526662918 /nfs/dbraw/zinc/66/29/18/526662918.db2.gz UPICYZBGGPGJEG-QPJJXVBHSA-N 1 2 403.295 4.059 50 0 HIAALO O=C(CSCc1ccc(Br)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020102504 527023248 /nfs/dbraw/zinc/02/32/48/527023248.db2.gz SFNCSFCXTRHDHU-UHFFFAOYSA-N 1 2 419.388 4.027 50 0 HIAALO Cn1c2ccccc2[nH+]c1N1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000042381488 527114742 /nfs/dbraw/zinc/11/47/42/527114742.db2.gz FCOZWJVPPSXPTC-UHFFFAOYSA-N 1 2 404.301 4.234 50 0 HIAALO OCC[C@@H]1CCCCN1c1ccc(CNc2ncnc3c4ccccc4oc32)c[nH+]1 ZINC000040149336 527563310 /nfs/dbraw/zinc/56/33/10/527563310.db2.gz CMOYRCINXRJHHL-KRWDZBQOSA-N 1 2 403.486 4.124 50 0 HIAALO Cc1nc2n(n1)C(=O)C([C@H](c1cccc(Br)c1)[N@@H+]1CCC[C@H](C)C1)S2 ZINC000022626062 557077609 /nfs/dbraw/zinc/07/76/09/557077609.db2.gz XYBPPAZJPNCVJB-NHYWBVRUSA-N 1 2 421.364 4.389 50 0 HIAALO Cc1nc2n(n1)C(=O)C([C@H](c1cccc(Br)c1)[N@H+]1CCC[C@H](C)C1)S2 ZINC000022626062 557077612 /nfs/dbraw/zinc/07/76/12/557077612.db2.gz XYBPPAZJPNCVJB-NHYWBVRUSA-N 1 2 421.364 4.389 50 0 HIAALO Cc1[nH+]c2cc(NC(=O)Nc3ccc(I)cc3)ccc2n1C ZINC000001148299 557209476 /nfs/dbraw/zinc/20/94/76/557209476.db2.gz HZHZZTWGTCPAMW-UHFFFAOYSA-N 1 2 406.227 4.130 50 0 HIAALO Cc1ccc(N2CC[NH+]([C@H](C)C(=O)NCc3cccc(C(F)(F)F)c3)CC2)cc1C ZINC000034668162 557361702 /nfs/dbraw/zinc/36/17/02/557361702.db2.gz TXNKXWYXDBKTAX-GOSISDBHSA-N 1 2 419.491 4.149 50 0 HIAALO O=S(=O)(NC[C@H](c1ccco1)[N@@H+]1CCc2ccccc2C1)c1ccc(Cl)cc1 ZINC000022907180 557852804 /nfs/dbraw/zinc/85/28/04/557852804.db2.gz FLRMLHZIZUFJLR-HXUWFJFHSA-N 1 2 416.930 4.011 50 0 HIAALO O=S(=O)(NC[C@H](c1ccco1)[N@H+]1CCc2ccccc2C1)c1ccc(Cl)cc1 ZINC000022907180 557852806 /nfs/dbraw/zinc/85/28/06/557852806.db2.gz FLRMLHZIZUFJLR-HXUWFJFHSA-N 1 2 416.930 4.011 50 0 HIAALO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccc(C(F)(F)F)c2)C1)c1n[nH]c2ccccc21 ZINC000011663754 558267345 /nfs/dbraw/zinc/26/73/45/558267345.db2.gz MKSSYFOBQTUJBI-INIZCTEOSA-N 1 2 416.447 4.224 50 0 HIAALO O=C(NC[C@@H]1CCC[N@H+](Cc2cccc(C(F)(F)F)c2)C1)c1n[nH]c2ccccc21 ZINC000011663754 558267349 /nfs/dbraw/zinc/26/73/49/558267349.db2.gz MKSSYFOBQTUJBI-INIZCTEOSA-N 1 2 416.447 4.224 50 0 HIAALO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)c1cc(COc2ccc3c(c2)CCCC3)on1 ZINC000011818875 558282136 /nfs/dbraw/zinc/28/21/36/558282136.db2.gz CZMRRRDXKGFORC-QFIPXVFZSA-N 1 2 422.529 4.174 50 0 HIAALO O=C(/C=C/c1ccc(Cl)cc1Cl)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000019798337 558284843 /nfs/dbraw/zinc/28/48/43/558284843.db2.gz DBXFMQNJWDFZCJ-ZZXKWVIFSA-N 1 2 419.308 4.080 50 0 HIAALO C[C@@H](c1ccon1)[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2 ZINC000011879467 558294014 /nfs/dbraw/zinc/29/40/14/558294014.db2.gz QZDVAKHXDCPQNM-INIZCTEOSA-N 1 2 402.454 4.449 50 0 HIAALO C[C@@H](c1ccon1)[N@@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2 ZINC000011879467 558294016 /nfs/dbraw/zinc/29/40/16/558294016.db2.gz QZDVAKHXDCPQNM-INIZCTEOSA-N 1 2 402.454 4.449 50 0 HIAALO COc1cccc(-c2nc(C[N@H+]3CCCOc4c(cccc4OC)C3)c(C)o2)c1OC ZINC000011879773 558294531 /nfs/dbraw/zinc/29/45/31/558294531.db2.gz NFDRCUGQDREOHP-UHFFFAOYSA-N 1 2 424.497 4.461 50 0 HIAALO COc1cccc(-c2nc(C[N@@H+]3CCCOc4c(cccc4OC)C3)c(C)o2)c1OC ZINC000011879773 558294533 /nfs/dbraw/zinc/29/45/33/558294533.db2.gz NFDRCUGQDREOHP-UHFFFAOYSA-N 1 2 424.497 4.461 50 0 HIAALO C[N@@H+]1CCc2nc3sc(C(=O)Nc4ccccc4C(F)(F)F)c(N)c3cc2C1 ZINC000019853440 558296045 /nfs/dbraw/zinc/29/60/45/558296045.db2.gz MUCIDHNFKGBETJ-UHFFFAOYSA-N 1 2 406.433 4.138 50 0 HIAALO C[N@H+]1CCc2nc3sc(C(=O)Nc4ccccc4C(F)(F)F)c(N)c3cc2C1 ZINC000019853440 558296048 /nfs/dbraw/zinc/29/60/48/558296048.db2.gz MUCIDHNFKGBETJ-UHFFFAOYSA-N 1 2 406.433 4.138 50 0 HIAALO Cc1ccc(C[N@@H+](C)Cc2c(C(=O)N(C)CCc3ccccc3)nc3sccn32)o1 ZINC000011935901 558299938 /nfs/dbraw/zinc/29/99/38/558299938.db2.gz JXFJFNAJGNXRQP-UHFFFAOYSA-N 1 2 422.554 4.244 50 0 HIAALO Cc1ccc(C[N@H+](C)Cc2c(C(=O)N(C)CCc3ccccc3)nc3sccn32)o1 ZINC000011935901 558299941 /nfs/dbraw/zinc/29/99/41/558299941.db2.gz JXFJFNAJGNXRQP-UHFFFAOYSA-N 1 2 422.554 4.244 50 0 HIAALO COc1ccc(-c2nc(CN3CCCC[C@H]3c3[nH+]ccn3C)c(C)o2)c(OC)c1C ZINC000011936689 558300799 /nfs/dbraw/zinc/30/07/99/558300799.db2.gz USLYLDPIRQLQKW-IBGZPJMESA-N 1 2 410.518 4.436 50 0 HIAALO COc1ccc(OC)c(C[NH+]2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)c1 ZINC000019889266 558302545 /nfs/dbraw/zinc/30/25/45/558302545.db2.gz ZUBOTOODWZJTQL-UHFFFAOYSA-N 1 2 416.521 4.329 50 0 HIAALO C/C=C(\C)C[N@H+](C)Cc1nnc(SCc2ccccc2C)n1C[C@@H]1CCCO1 ZINC000011999737 558307832 /nfs/dbraw/zinc/30/78/32/558307832.db2.gz GVHQGVZDKUBKNK-VVSCWTQXSA-N 1 2 400.592 4.456 50 0 HIAALO C/C=C(\C)C[N@@H+](C)Cc1nnc(SCc2ccccc2C)n1C[C@@H]1CCCO1 ZINC000011999737 558307835 /nfs/dbraw/zinc/30/78/35/558307835.db2.gz GVHQGVZDKUBKNK-VVSCWTQXSA-N 1 2 400.592 4.456 50 0 HIAALO COc1ccc(OC)c(-c2nc(C[N@@H+]3CCN(C)[C@@H](c4ccccc4)C3)c(C)o2)c1 ZINC000020204232 558346486 /nfs/dbraw/zinc/34/64/86/558346486.db2.gz IWZFUEKXQZHCRN-JOCHJYFZSA-N 1 2 407.514 4.156 50 0 HIAALO COc1ccc(OC)c(-c2nc(C[N@H+]3CCN(C)[C@@H](c4ccccc4)C3)c(C)o2)c1 ZINC000020204232 558346489 /nfs/dbraw/zinc/34/64/89/558346489.db2.gz IWZFUEKXQZHCRN-JOCHJYFZSA-N 1 2 407.514 4.156 50 0 HIAALO C[N@@H+](Cc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCO2)Cc1nccs1 ZINC000012224104 558356821 /nfs/dbraw/zinc/35/68/21/558356821.db2.gz CLUBGTIQOZDSKT-UHFFFAOYSA-N 1 2 418.522 4.416 50 0 HIAALO C[N@H+](Cc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCO2)Cc1nccs1 ZINC000012224104 558356822 /nfs/dbraw/zinc/35/68/22/558356822.db2.gz CLUBGTIQOZDSKT-UHFFFAOYSA-N 1 2 418.522 4.416 50 0 HIAALO CCCCn1c(C[N@H+](C)CC23CC4CC(CC(C4)C2)C3)cnc1S(=O)(=O)CC ZINC000012299782 558369750 /nfs/dbraw/zinc/36/97/50/558369750.db2.gz MTJHKUHKTOCLID-UHFFFAOYSA-N 1 2 407.624 4.125 50 0 HIAALO CCCCn1c(C[N@@H+](C)CC23CC4CC(CC(C4)C2)C3)cnc1S(=O)(=O)CC ZINC000012299782 558369752 /nfs/dbraw/zinc/36/97/52/558369752.db2.gz MTJHKUHKTOCLID-UHFFFAOYSA-N 1 2 407.624 4.125 50 0 HIAALO CC(C)(C)c1cc(NCC[NH+]2CCOCC2)n2ncc(-c3ccc(Cl)cc3)c2n1 ZINC000020533330 558384566 /nfs/dbraw/zinc/38/45/66/558384566.db2.gz XSDITGFFKVYEBO-UHFFFAOYSA-N 1 2 413.953 4.091 50 0 HIAALO Cc1nonc1C[N@H+](C)Cc1cn(-c2ccc(F)cc2F)nc1-c1ccccc1C ZINC000020910527 558421993 /nfs/dbraw/zinc/42/19/93/558421993.db2.gz JOIPHXUQNQIPIF-UHFFFAOYSA-N 1 2 409.440 4.449 50 0 HIAALO Cc1nonc1C[N@@H+](C)Cc1cn(-c2ccc(F)cc2F)nc1-c1ccccc1C ZINC000020910527 558421996 /nfs/dbraw/zinc/42/19/96/558421996.db2.gz JOIPHXUQNQIPIF-UHFFFAOYSA-N 1 2 409.440 4.449 50 0 HIAALO COc1ccc(-c2nc(C[N@H+](Cc3c(C)nn(C)c3C)C3CC3)c(C)o2)cc1OC ZINC000012572841 558429759 /nfs/dbraw/zinc/42/97/59/558429759.db2.gz SNXQEUGLNHVLKY-UHFFFAOYSA-N 1 2 410.518 4.182 50 0 HIAALO COc1ccc(-c2nc(C[N@@H+](Cc3c(C)nn(C)c3C)C3CC3)c(C)o2)cc1OC ZINC000012572841 558429760 /nfs/dbraw/zinc/42/97/60/558429760.db2.gz SNXQEUGLNHVLKY-UHFFFAOYSA-N 1 2 410.518 4.182 50 0 HIAALO Cc1c(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000022289646 558476517 /nfs/dbraw/zinc/47/65/17/558476517.db2.gz ZKFRPTPAYXRRBV-UHFFFAOYSA-N 1 2 400.548 4.173 50 0 HIAALO COc1cccc(NC(=O)[C@@H](c2ccccc2)N2CC[NH+](Cc3ccsc3)CC2)c1 ZINC000022804191 558513575 /nfs/dbraw/zinc/51/35/75/558513575.db2.gz FSUSWPLSFGQWAO-HSZRJFAPSA-N 1 2 421.566 4.254 50 0 HIAALO CCc1noc([C@@H](C)N2CC[NH+](C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)n1 ZINC000022931999 558524756 /nfs/dbraw/zinc/52/47/56/558524756.db2.gz VQEVJOSUUGEXOX-MRXNPFEDSA-N 1 2 412.484 4.378 50 0 HIAALO C[N@@H+]1C[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)c2ccco2)[C@]12C(=O)Nc1ccccc12 ZINC000013626645 558551221 /nfs/dbraw/zinc/55/12/21/558551221.db2.gz GHMGJMTZSQKKKW-NIJIEXERSA-N 1 2 406.869 4.309 50 0 HIAALO C[N@H+]1C[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)c2ccco2)[C@]12C(=O)Nc1ccccc12 ZINC000013626645 558551224 /nfs/dbraw/zinc/55/12/24/558551224.db2.gz GHMGJMTZSQKKKW-NIJIEXERSA-N 1 2 406.869 4.309 50 0 HIAALO S=C(Nc1ccccc1)N(CC[NH+]1CCOCC1)Cc1cccc2ccccc21 ZINC000013682922 558567664 /nfs/dbraw/zinc/56/76/64/558567664.db2.gz IENUXFUGOVCGIE-UHFFFAOYSA-N 1 2 405.567 4.371 50 0 HIAALO c1csc([C@@H](CNc2nc(-c3cccnc3)nc3ccccc32)[NH+]2CCOCC2)c1 ZINC000024001799 558584396 /nfs/dbraw/zinc/58/43/96/558584396.db2.gz GEBHNEXPCSFTJW-HXUWFJFHSA-N 1 2 417.538 4.239 50 0 HIAALO O=C(c1ccc(SC(F)(F)F)cc1)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000024137381 558590333 /nfs/dbraw/zinc/59/03/33/558590333.db2.gz KZSJLEGTRKYHOI-UHFFFAOYSA-N 1 2 422.472 4.191 50 0 HIAALO O=C(c1ccc(OCc2cccnc2)cc1)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000024552559 558601033 /nfs/dbraw/zinc/60/10/33/558601033.db2.gz XFLYVFTVTAPANH-UHFFFAOYSA-N 1 2 421.928 4.272 50 0 HIAALO Cc1ccc(C2=NN(C(=O)C[N@H+]3CCC[C@H]3c3cccn3C)[C@@H](c3ccco3)C2)cc1 ZINC000014013466 558613504 /nfs/dbraw/zinc/61/35/04/558613504.db2.gz DHJUTNOVWOMMNL-XZOQPEGZSA-N 1 2 416.525 4.441 50 0 HIAALO Cc1ccc(C2=NN(C(=O)C[N@@H+]3CCC[C@H]3c3cccn3C)[C@@H](c3ccco3)C2)cc1 ZINC000014013466 558613505 /nfs/dbraw/zinc/61/35/05/558613505.db2.gz DHJUTNOVWOMMNL-XZOQPEGZSA-N 1 2 416.525 4.441 50 0 HIAALO O=C(Cc1ccc(-c2ccccc2)cc1)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000014129146 558623725 /nfs/dbraw/zinc/62/37/25/558623725.db2.gz QPGSARGXCYPUOM-RUZDIDTESA-N 1 2 400.522 4.086 50 0 HIAALO COc1ccc(NC(C)=O)cc1NC(=O)C[N@@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000014161052 558626167 /nfs/dbraw/zinc/62/61/67/558626167.db2.gz YFOWIDXDXXGVCE-SFHVURJKSA-N 1 2 424.526 4.039 50 0 HIAALO COc1ccc(NC(C)=O)cc1NC(=O)C[N@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000014161052 558626169 /nfs/dbraw/zinc/62/61/69/558626169.db2.gz YFOWIDXDXXGVCE-SFHVURJKSA-N 1 2 424.526 4.039 50 0 HIAALO CC(C)c1ccc(C[NH+]2CCN(C(=O)c3cccnc3SC(F)F)CC2)cc1 ZINC000014197584 558634224 /nfs/dbraw/zinc/63/42/24/558634224.db2.gz BQHJDXJHJJEXQO-UHFFFAOYSA-N 1 2 405.514 4.478 50 0 HIAALO Cc1cccn2cc(COC(=O)c3nccnc3-c3nc4ccccc4s3)[nH+]c12 ZINC000011006057 558659947 /nfs/dbraw/zinc/65/99/47/558659947.db2.gz FQEMJEOGHDWVAJ-UHFFFAOYSA-N 1 2 401.451 4.066 50 0 HIAALO Cc1ccc([C@H](c2ccccc2C)[NH+]2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 ZINC000072265290 558666415 /nfs/dbraw/zinc/66/64/15/558666415.db2.gz MAPKLHBHTWFEBH-RUZDIDTESA-N 1 2 420.578 4.399 50 0 HIAALO CSc1ccc2cc(C[NH+]3CCOCC3)c(=O)n(Cc3ccccc3Cl)c2c1 ZINC000014878602 558675368 /nfs/dbraw/zinc/67/53/68/558675368.db2.gz LALPMBPERHEIRS-UHFFFAOYSA-N 1 2 414.958 4.257 50 0 HIAALO COc1ccc(C(=O)[C@@H]2CCC[N@H+](Cc3nc4c(s3)CCCC4)C2)cc1OC ZINC000014948083 558679915 /nfs/dbraw/zinc/67/99/15/558679915.db2.gz POLQNFFDMGUHGW-MRXNPFEDSA-N 1 2 400.544 4.134 50 0 HIAALO COc1ccc(C(=O)[C@@H]2CCC[N@@H+](Cc3nc4c(s3)CCCC4)C2)cc1OC ZINC000014948083 558679917 /nfs/dbraw/zinc/67/99/17/558679917.db2.gz POLQNFFDMGUHGW-MRXNPFEDSA-N 1 2 400.544 4.134 50 0 HIAALO CC(C)c1ccc([C@H](CNC(=O)COc2ccccc2Cl)[NH+]2CCOCC2)cc1 ZINC000028291040 558697314 /nfs/dbraw/zinc/69/73/14/558697314.db2.gz NMTIADVLLVHFGS-NRFANRHFSA-N 1 2 416.949 4.032 50 0 HIAALO Cc1nc([C@@H](C)[NH2+]Cc2c(C(=O)N3CCCCC3)nc3c(C)cccn23)c(C)s1 ZINC000015066846 558709878 /nfs/dbraw/zinc/70/98/78/558709878.db2.gz JAAQGUOJZWPCFD-OAHLLOKOSA-N 1 2 411.575 4.193 50 0 HIAALO CC(C)(C)[NH+]=C1Nc2ccccc2N[C@@]12CCCN(C(=O)Cc1ccccc1F)C2 ZINC000065260072 558728990 /nfs/dbraw/zinc/72/89/90/558728990.db2.gz TZKQZRVHTHBVOQ-XMMPIXPASA-N 1 2 408.521 4.273 50 0 HIAALO COc1ccc(Cl)cc1NC(=O)[C@H](C)[NH+]1CCC(Sc2ccccn2)CC1 ZINC000072308938 558771664 /nfs/dbraw/zinc/77/16/64/558771664.db2.gz HOKZRFKREPBSPY-AWEZNQCLSA-N 1 2 405.951 4.327 50 0 HIAALO COc1ccc2[nH]c(C)c(C(=O)C[NH+]3CCN(c4cc(Cl)ccc4C)CC3)c2c1 ZINC000034847901 558784800 /nfs/dbraw/zinc/78/48/00/558784800.db2.gz XRSAMAVONBEYQJ-UHFFFAOYSA-N 1 2 411.933 4.452 50 0 HIAALO CC(C)Cn1c2ccccc2[nH+]c1N1CCC[C@H](C(=O)NCc2ccc(F)cc2)C1 ZINC000034906493 558787333 /nfs/dbraw/zinc/78/73/33/558787333.db2.gz RALXOGMHZNTLOO-IBGZPJMESA-N 1 2 408.521 4.364 50 0 HIAALO O=C(NC1CCCC1)c1ccc2cc[nH+]c(N3CCN(c4ccccc4)CC3)c2c1 ZINC000035512319 558793026 /nfs/dbraw/zinc/79/30/26/558793026.db2.gz NKQSBVPXYLOENQ-UHFFFAOYSA-N 1 2 400.526 4.234 50 0 HIAALO O=C(Cn1c2ccccc2[nH+]c1NCc1ccccc1)Nc1ccc2c(c1)OCO2 ZINC000016685175 558799797 /nfs/dbraw/zinc/79/97/97/558799797.db2.gz CDPBZIGGWZPULD-UHFFFAOYSA-N 1 2 400.438 4.016 50 0 HIAALO Cn1cc[nH+]c1[C@@H](NC(=O)Cc1csc(-c2ccccc2)n1)c1ccc(F)cc1 ZINC000016978008 558811117 /nfs/dbraw/zinc/81/11/17/558811117.db2.gz RXUOTMWYVFJPTQ-FQEVSTJZSA-N 1 2 406.486 4.131 50 0 HIAALO O=C(CCCc1ccccc1)Nc1ccnn1C1CC[NH+](Cc2nccs2)CC1 ZINC000019225434 558852621 /nfs/dbraw/zinc/85/26/21/558852621.db2.gz KWRAMLSIGSYNOR-UHFFFAOYSA-N 1 2 409.559 4.138 50 0 HIAALO C[C@H]1C[NH+](Cc2ccccc2NC(=O)Cc2csc(-c3ccco3)n2)C[C@H](C)O1 ZINC000046343106 558858215 /nfs/dbraw/zinc/85/82/15/558858215.db2.gz ZUCLAEBQFUMUBE-HOTGVXAUSA-N 1 2 411.527 4.194 50 0 HIAALO Cc1ccc(N2CC[NH+](CC(=O)Nc3ccc(Br)c(C)c3)CC2)c(C)c1 ZINC000052537626 558859896 /nfs/dbraw/zinc/85/98/96/558859896.db2.gz HSOOLXIOSSQRNR-UHFFFAOYSA-N 1 2 416.363 4.135 50 0 HIAALO Cc1ccc2[nH]c(N3CCC(C(=O)NCCc4c[nH]c5ccc(C)cc45)CC3)[nH+]c2c1 ZINC000033070789 558866282 /nfs/dbraw/zinc/86/62/82/558866282.db2.gz UNERWLKHPHWPPW-UHFFFAOYSA-N 1 2 415.541 4.236 50 0 HIAALO Cc1ccc2[nH+]c(N3CCC(C(=O)NCCc4c[nH]c5ccc(C)cc45)CC3)[nH]c2c1 ZINC000033070789 558866285 /nfs/dbraw/zinc/86/62/85/558866285.db2.gz UNERWLKHPHWPPW-UHFFFAOYSA-N 1 2 415.541 4.236 50 0 HIAALO CSc1ccc(CCNC(=O)[C@H]2CCCN(c3[nH]c4ccc(C)cc4[nH+]3)C2)cc1 ZINC000033072212 558866819 /nfs/dbraw/zinc/86/68/19/558866819.db2.gz NEXISPPJKZWGRQ-SFHVURJKSA-N 1 2 408.571 4.169 50 0 HIAALO CSc1ccc(CCNC(=O)[C@H]2CCCN(c3[nH]c4cc(C)ccc4[nH+]3)C2)cc1 ZINC000033072212 558866822 /nfs/dbraw/zinc/86/68/22/558866822.db2.gz NEXISPPJKZWGRQ-SFHVURJKSA-N 1 2 408.571 4.169 50 0 HIAALO COc1ccc(CC(=O)Nc2ccc3[nH+]c(N4CCCC4)cc(C)c3c2)cc1OC ZINC000033084588 558868802 /nfs/dbraw/zinc/86/88/02/558868802.db2.gz DBRXNZCVCMMCGM-UHFFFAOYSA-N 1 2 405.498 4.342 50 0 HIAALO CCn1c2ccccc2[nH+]c1N1CCN(C(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000033106447 558874292 /nfs/dbraw/zinc/87/42/92/558874292.db2.gz VVWURUGGENWISW-UHFFFAOYSA-N 1 2 417.435 4.429 50 0 HIAALO COc1ccc2cc(C(=O)[C@H]3CCC[N@H+](Cc4cnc(SC)nc4)C3)ccc2c1 ZINC000055211925 558876160 /nfs/dbraw/zinc/87/61/60/558876160.db2.gz SPJAEUVZGHDGEO-FQEVSTJZSA-N 1 2 407.539 4.455 50 0 HIAALO COc1ccc2cc(C(=O)[C@H]3CCC[N@@H+](Cc4cnc(SC)nc4)C3)ccc2c1 ZINC000055211925 558876162 /nfs/dbraw/zinc/87/61/62/558876162.db2.gz SPJAEUVZGHDGEO-FQEVSTJZSA-N 1 2 407.539 4.455 50 0 HIAALO CC(C)Oc1ccc(C[N@@H+]2CCc3nc(Nc4ccc5c(c4)OCO5)ncc3C2)cc1 ZINC000033048682 558886034 /nfs/dbraw/zinc/88/60/34/558886034.db2.gz HSAWVCULAZACEP-UHFFFAOYSA-N 1 2 418.497 4.294 50 0 HIAALO CC(C)Oc1ccc(C[N@H+]2CCc3nc(Nc4ccc5c(c4)OCO5)ncc3C2)cc1 ZINC000033048682 558886037 /nfs/dbraw/zinc/88/60/37/558886037.db2.gz HSAWVCULAZACEP-UHFFFAOYSA-N 1 2 418.497 4.294 50 0 HIAALO Cc1ccc(C(=O)N(CCC[NH+]2CCOCC2)c2nc3c(cccc3F)s2)cc1 ZINC000022997428 558982413 /nfs/dbraw/zinc/98/24/13/558982413.db2.gz ZKVCUKLCEFKNSF-UHFFFAOYSA-N 1 2 413.518 4.113 50 0 HIAALO C[C@@H](c1nc(-c2ccccc2)no1)N1CC[NH+](Cc2cnc(C(C)(C)C)s2)CC1 ZINC000097032703 558988189 /nfs/dbraw/zinc/98/81/89/558988189.db2.gz PELVYYZODZYDAC-INIZCTEOSA-N 1 2 411.575 4.369 50 0 HIAALO CCCn1c2ccc(C(=O)N3CCCOCC3)cc2[nH+]c1NCc1cccc(C)c1 ZINC000077486023 559006999 /nfs/dbraw/zinc/00/69/99/559006999.db2.gz YAXLXVIRNFUQLY-UHFFFAOYSA-N 1 2 406.530 4.229 50 0 HIAALO Cc1c(Cl)cccc1NC(=S)N[C@H](C)[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000023182259 559031812 /nfs/dbraw/zinc/03/18/12/559031812.db2.gz KYVPUCRHAMYDNV-RDTXWAMCSA-N 1 2 410.008 4.458 50 0 HIAALO Cc1c2cc(C)cc(CNC(=O)c3[nH]nc4c3C[N@H+](C)CC4)c2[nH]c1-c1ccccc1 ZINC000082097449 559037568 /nfs/dbraw/zinc/03/75/68/559037568.db2.gz XWNQQMKTHNMMTB-UHFFFAOYSA-N 1 2 413.525 4.093 50 0 HIAALO Cc1c2cc(C)cc(CNC(=O)c3[nH]nc4c3C[N@@H+](C)CC4)c2[nH]c1-c1ccccc1 ZINC000082097449 559037569 /nfs/dbraw/zinc/03/75/69/559037569.db2.gz XWNQQMKTHNMMTB-UHFFFAOYSA-N 1 2 413.525 4.093 50 0 HIAALO CCc1ccc(N(C(C)=O)c2nc(CSc3[nH+]cnc4c3cnn4C)cs2)cc1 ZINC000011683161 559176962 /nfs/dbraw/zinc/17/69/62/559176962.db2.gz 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C[N@@H+](CC(=O)N1CC(=O)Nc2ccccc21)Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000008073101 132327378 /nfs/dbraw/zinc/32/73/78/132327378.db2.gz DEQICNWBZZKZLR-UHFFFAOYSA-N 1 2 409.873 4.017 50 0 HIAALO CCC(Nc1ccc([NH+](CC)CC)cc1)=C1C(=O)NC(=O)N(c2ccccc2C)C1=O ZINC000008974301 132334405 /nfs/dbraw/zinc/33/44/05/132334405.db2.gz VHTRIXMEVPVUTH-XUTLUUPISA-N 1 2 420.513 4.200 50 0 HIAALO Cc1ccc(Cl)c(NC(=O)C[N@@H+](C)Cc2ccccc2N2CCOCC2)c1Cl ZINC000012516012 132361339 /nfs/dbraw/zinc/36/13/39/132361339.db2.gz FTLUVKDBOBRHDM-UHFFFAOYSA-N 1 2 422.356 4.209 50 0 HIAALO Cc1ccc(Cl)c(NC(=O)C[N@H+](C)Cc2ccccc2N2CCOCC2)c1Cl ZINC000012516012 132361341 /nfs/dbraw/zinc/36/13/41/132361341.db2.gz FTLUVKDBOBRHDM-UHFFFAOYSA-N 1 2 422.356 4.209 50 0 HIAALO CC(=O)c1c(C)[nH]c(C(=O)NC[C@@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)c1C ZINC000032931506 518228487 /nfs/dbraw/zinc/22/84/87/518228487.db2.gz VSWBWZQBOFFHJZ-FQEVSTJZSA-N 1 2 421.566 4.425 50 0 HIAALO CC(=O)c1c(C)[nH]c(C(=O)NC[C@@H](c2ccccc2)[N@H+]2CCc3sccc3C2)c1C ZINC000032931506 518228490 /nfs/dbraw/zinc/22/84/90/518228490.db2.gz VSWBWZQBOFFHJZ-FQEVSTJZSA-N 1 2 421.566 4.425 50 0 HIAALO CC(=O)c1cccc(NC(=O)N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000020543376 518435896 /nfs/dbraw/zinc/43/58/96/518435896.db2.gz GQQZDZAKFJXNSI-UHFFFAOYSA-N 1 2 405.420 4.258 50 0 HIAALO COC(=O)c1ccc(CSc2nnc(C[NH+]3CCCC3)n2Cc2ccccc2)cc1 ZINC000025353796 522054179 /nfs/dbraw/zinc/05/41/79/522054179.db2.gz ACRZLADYCPMARJ-UHFFFAOYSA-N 1 2 422.554 4.001 50 0 HIAALO C[NH+]1CCN(c2c(Cl)cccc2NC(=O)c2ccccc2Br)CC1 ZINC000030831910 523922065 /nfs/dbraw/zinc/92/20/65/523922065.db2.gz VZCHFFMQTRKFDI-UHFFFAOYSA-N 1 2 408.727 4.107 50 0 HIAALO COc1ccc(CCn2c(C)cc(C(=O)C[N@H+](C)Cc3ccco3)c2C)cc1OC ZINC000030276473 523986567 /nfs/dbraw/zinc/98/65/67/523986567.db2.gz ZSXSKCFMFOXEPJ-UHFFFAOYSA-N 1 2 410.514 4.273 50 0 HIAALO COc1ccc(CCn2c(C)cc(C(=O)C[N@@H+](C)Cc3ccco3)c2C)cc1OC ZINC000030276473 523986571 /nfs/dbraw/zinc/98/65/71/523986571.db2.gz ZSXSKCFMFOXEPJ-UHFFFAOYSA-N 1 2 410.514 4.273 50 0 HIAALO COc1ccc([C@@H](NC(=O)NCc2cccc(C(F)(F)F)c2)c2[nH+]ccn2C)cc1 ZINC000032802583 525197629 /nfs/dbraw/zinc/19/76/29/525197629.db2.gz LALWMOZEDXGDNW-GOSISDBHSA-N 1 2 418.419 4.036 50 0 HIAALO COc1ccc2cc([C@@H](C)C(=O)NC[C@@H](c3cccs3)[NH+]3CCOCC3)ccc2c1 ZINC000032819047 525635482 /nfs/dbraw/zinc/63/54/82/525635482.db2.gz FAMZLCVZBXGRJE-VGSWGCGISA-N 1 2 424.566 4.203 50 0 HIAALO Cc1noc2nc(-c3ccccc3)cc(C(=O)NCc3ccccc3Cn3cc[nH+]c3)c12 ZINC000032888523 526678140 /nfs/dbraw/zinc/67/81/40/526678140.db2.gz ZVSPIFNSBOBGAQ-UHFFFAOYSA-N 1 2 423.476 4.373 50 0 HIAALO Clc1ccc([C@@H]2NC3=[NH+]CN(Cc4ccco4)CN3c3nc4ccccc4n32)cc1 ZINC000020556170 526962373 /nfs/dbraw/zinc/96/23/73/526962373.db2.gz LWLYXAJRIVMKOC-HXUWFJFHSA-N 1 2 418.888 4.026 50 0 HIAALO Cc1nc2n(n1)C(=O)C([C@@H](c1cccc(Br)c1)[NH+]1CCC(C)CC1)S2 ZINC000022626136 557080496 /nfs/dbraw/zinc/08/04/96/557080496.db2.gz RQDPGPDJMZMNPT-OAHLLOKOSA-N 1 2 421.364 4.389 50 0 HIAALO CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(-c3cn4cccc(C)c4[nH+]3)c2)cc1 ZINC000000800808 557084977 /nfs/dbraw/zinc/08/49/77/557084977.db2.gz DYBJQZQWBQEMAQ-UHFFFAOYSA-N 1 2 420.494 4.069 50 0 HIAALO CC(C)Cc1noc(C[NH+]2CCC3(C[C@@H]3c3nnc(-c4cccc(F)c4)o3)CC2)n1 ZINC000071890582 557317290 /nfs/dbraw/zinc/31/72/90/557317290.db2.gz MUANBYDBVFROIF-QGZVFWFLSA-N 1 2 411.481 4.227 50 0 HIAALO CCCOc1ccc(N2C(=O)C[C@H]([N@H+]3CC=C(c4ccc(F)cc4)CC3)C2=O)cc1 ZINC000002729193 557371362 /nfs/dbraw/zinc/37/13/62/557371362.db2.gz OHHDQSWMYYGOLN-QFIPXVFZSA-N 1 2 408.473 4.036 50 0 HIAALO CCCOc1ccc(N2C(=O)C[C@H]([N@@H+]3CC=C(c4ccc(F)cc4)CC3)C2=O)cc1 ZINC000002729193 557371365 /nfs/dbraw/zinc/37/13/65/557371365.db2.gz OHHDQSWMYYGOLN-QFIPXVFZSA-N 1 2 408.473 4.036 50 0 HIAALO O=C(NCc1ccncc1)[C@@H]1CCCN(c2[nH+]c3ccccc3n2C2CCCC2)C1 ZINC000034906708 557473828 /nfs/dbraw/zinc/47/38/28/557473828.db2.gz OJXIWWDFPMMEPZ-LJQANCHMSA-N 1 2 403.530 4.079 50 0 HIAALO O=c1nc(CN2CC[NH+](Cc3cccs3)CC2)[nH]c2scc(-c3ccccc3)c21 ZINC000022786887 557820377 /nfs/dbraw/zinc/82/03/77/557820377.db2.gz ARFSEWRVYZBOAM-UHFFFAOYSA-N 1 2 422.579 4.031 50 0 HIAALO O=C(/C=C/c1ccc(Br)cc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000019759936 558276098 /nfs/dbraw/zinc/27/60/98/558276098.db2.gz CPYPOFDKEYKBIZ-NJPWYCGFSA-N 1 2 411.343 4.320 50 0 HIAALO Cc1nc(C[N@@H+](C)Cc2ccc(OCCN(C)C(=O)c3cccs3)cc2)cs1 ZINC000011812927 558277665 /nfs/dbraw/zinc/27/76/65/558277665.db2.gz HTBSIUIRYPZSNR-UHFFFAOYSA-N 1 2 415.584 4.296 50 0 HIAALO Cc1nc(C[N@H+](C)Cc2ccc(OCCN(C)C(=O)c3cccs3)cc2)cs1 ZINC000011812927 558277666 /nfs/dbraw/zinc/27/76/66/558277666.db2.gz HTBSIUIRYPZSNR-UHFFFAOYSA-N 1 2 415.584 4.296 50 0 HIAALO COc1ccc(Cl)cc1C(=O)[C@H]1CCC[N@H+](Cc2nc3cc(F)ccc3[nH]2)C1 ZINC000019794700 558283937 /nfs/dbraw/zinc/28/39/37/558283937.db2.gz DNZKJFOHQUOMOX-ZDUSSCGKSA-N 1 2 401.869 4.459 50 0 HIAALO COc1ccc(Cl)cc1C(=O)[C@H]1CCC[N@@H+](Cc2nc3cc(F)ccc3[nH]2)C1 ZINC000019794700 558283939 /nfs/dbraw/zinc/28/39/39/558283939.db2.gz DNZKJFOHQUOMOX-ZDUSSCGKSA-N 1 2 401.869 4.459 50 0 HIAALO O=S(=O)(N[C@@H]1c2cccc3cccc(c23)[C@@H]1[NH2+]Cc1ccco1)c1ccccc1 ZINC000019811143 558286832 /nfs/dbraw/zinc/28/68/32/558286832.db2.gz KBCAJOAJIJDKQO-XZOQPEGZSA-N 1 2 404.491 4.297 50 0 HIAALO O=C(c1ccccc1-c1[nH]cc[nH+]1)N1CCC[C@](CO)(Cc2cccc(Cl)c2)C1 ZINC000011935394 558299405 /nfs/dbraw/zinc/29/94/05/558299405.db2.gz IDRZCUYWMGPHDF-QHCPKHFHSA-N 1 2 409.917 4.188 50 0 HIAALO Cc1nc(N2CC[NH+](Cc3ccccc3)CC2)nc2c1C(=O)C[C@H](c1cccs1)C2 ZINC000019899776 558304801 /nfs/dbraw/zinc/30/48/01/558304801.db2.gz HGNWIRNUAKNIJI-LJQANCHMSA-N 1 2 418.566 4.081 50 0 HIAALO O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000019905115 558305515 /nfs/dbraw/zinc/30/55/15/558305515.db2.gz XPKQAKSQKCASSS-UHFFFAOYSA-N 1 2 402.494 4.350 50 0 HIAALO O[C@@H](CCc1ccccc1)c1ccc2c(c1)C[N@@H+](Cc1cccc3c1OCO3)CCO2 ZINC000011995580 558306644 /nfs/dbraw/zinc/30/66/44/558306644.db2.gz LDTSRFWXIQGORB-QHCPKHFHSA-N 1 2 417.505 4.476 50 0 HIAALO O[C@@H](CCc1ccccc1)c1ccc2c(c1)C[N@H+](Cc1cccc3c1OCO3)CCO2 ZINC000011995580 558306647 /nfs/dbraw/zinc/30/66/47/558306647.db2.gz LDTSRFWXIQGORB-QHCPKHFHSA-N 1 2 417.505 4.476 50 0 HIAALO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1cccc(OCc2ccccc2)c1 ZINC000019922542 558307440 /nfs/dbraw/zinc/30/74/40/558307440.db2.gz DODHYXCLTQORAG-UHFFFAOYSA-N 1 2 402.494 4.350 50 0 HIAALO O=C(c1ccccc1Oc1ccccc1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000020150288 558340585 /nfs/dbraw/zinc/34/05/85/558340585.db2.gz LFYFSCGNLJIPRJ-UHFFFAOYSA-N 1 2 416.477 4.166 50 0 HIAALO CCN1CC[NH+](Cc2ccc(NC(=O)Nc3ccc(Br)cc3)cc2)CC1 ZINC000020153984 558341848 /nfs/dbraw/zinc/34/18/48/558341848.db2.gz QBVVWCRMECNOOR-UHFFFAOYSA-N 1 2 417.351 4.231 50 0 HIAALO Cc1ccc(NC(=S)N(CCC[NH+]2CCOCC2)Cc2cccc(F)c2)c(C)c1 ZINC000020357033 558357568 /nfs/dbraw/zinc/35/75/68/558357568.db2.gz DKNXERPYWOITQV-UHFFFAOYSA-N 1 2 415.578 4.364 50 0 HIAALO Cc1cc(C)n(-c2cccc(C[N@H+](C)Cc3nc(Cc4ccccc4F)no3)c2)n1 ZINC000012299003 558369028 /nfs/dbraw/zinc/36/90/28/558369028.db2.gz PVIROHVPAGXJHK-UHFFFAOYSA-N 1 2 405.477 4.234 50 0 HIAALO Cc1cc(C)n(-c2cccc(C[N@@H+](C)Cc3nc(Cc4ccccc4F)no3)c2)n1 ZINC000012299003 558369031 /nfs/dbraw/zinc/36/90/31/558369031.db2.gz PVIROHVPAGXJHK-UHFFFAOYSA-N 1 2 405.477 4.234 50 0 HIAALO O=c1[nH]c(=S)n(-c2cccc(Cl)c2)c2c1C[N@@H+](CCCc1ccccc1)CN2 ZINC000020522056 558383616 /nfs/dbraw/zinc/38/36/16/558383616.db2.gz AGAMPWXMQOFIJC-UHFFFAOYSA-N 1 2 412.946 4.366 50 0 HIAALO O=c1[nH]c(=S)n(-c2cccc(Cl)c2)c2c1C[N@H+](CCCc1ccccc1)CN2 ZINC000020522056 558383618 /nfs/dbraw/zinc/38/36/18/558383618.db2.gz AGAMPWXMQOFIJC-UHFFFAOYSA-N 1 2 412.946 4.366 50 0 HIAALO COc1cc(-c2n[nH]cc2C[N@H+](C)[C@H](C)c2nc(C)sc2C)cc(OC)c1OC ZINC000012438265 558409784 /nfs/dbraw/zinc/40/97/84/558409784.db2.gz OPMAENZFEATTLC-GFCCVEGCSA-N 1 2 416.547 4.369 50 0 HIAALO COc1cc(-c2n[nH]cc2C[N@@H+](C)[C@H](C)c2nc(C)sc2C)cc(OC)c1OC ZINC000012438265 558409786 /nfs/dbraw/zinc/40/97/86/558409786.db2.gz OPMAENZFEATTLC-GFCCVEGCSA-N 1 2 416.547 4.369 50 0 HIAALO CCOC(=O)C1(Cc2ccc(Cl)cc2)CC[NH+](Cc2cnc(SC)nc2)CC1 ZINC000012457697 558418038 /nfs/dbraw/zinc/41/80/38/558418038.db2.gz WVEIUXYDHYMMIZ-UHFFFAOYSA-N 1 2 419.978 4.240 50 0 HIAALO CCOc1ccccc1NC(=O)[C@@H]([NH2+]Cc1nc2ccccc2n1C)c1ccccc1 ZINC000012627566 558440304 /nfs/dbraw/zinc/44/03/04/558440304.db2.gz RBABFXDEZXFSOE-DEOSSOPVSA-N 1 2 414.509 4.442 50 0 HIAALO CCOCc1cc(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccc(Cl)cc2)ccc1OC ZINC000021840744 558451622 /nfs/dbraw/zinc/45/16/22/558451622.db2.gz IQPSBPBFNSBHAH-HXUWFJFHSA-N 1 2 413.905 4.138 50 0 HIAALO COc1ccc(OC)c(NC(=O)C[N@@H+]2CCc3sccc3[C@H]2c2ccccc2)c1 ZINC000012977003 558491944 /nfs/dbraw/zinc/49/19/44/558491944.db2.gz GISUGBGCJBJEOA-HSZRJFAPSA-N 1 2 408.523 4.352 50 0 HIAALO COc1ccc(OC)c(NC(=O)C[N@H+]2CCc3sccc3[C@H]2c2ccccc2)c1 ZINC000012977003 558491945 /nfs/dbraw/zinc/49/19/45/558491945.db2.gz GISUGBGCJBJEOA-HSZRJFAPSA-N 1 2 408.523 4.352 50 0 HIAALO O=C(c1cc(-c2ccco2)nn1-c1ccccc1)N1CC[NH+](Cc2cccs2)CC1 ZINC000022518190 558494387 /nfs/dbraw/zinc/49/43/87/558494387.db2.gz HMCMOZUNELAYMQ-UHFFFAOYSA-N 1 2 418.522 4.152 50 0 HIAALO CCc1noc([C@H](C)N2CC[NH+](C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)n1 ZINC000022932002 558524724 /nfs/dbraw/zinc/52/47/24/558524724.db2.gz VQEVJOSUUGEXOX-INIZCTEOSA-N 1 2 412.484 4.378 50 0 HIAALO CCCN1c2ccc(Br)cc2[C@]2([NH2+]CCc3c4ccccc4[nH]c32)C1=O ZINC000013635277 558553850 /nfs/dbraw/zinc/55/38/50/558553850.db2.gz ZYLDVSOVLSWDHF-OAQYLSRUSA-N 1 2 410.315 4.076 50 0 HIAALO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3ccc(NC(=O)C4CC4)s3)n2)C1 ZINC000010907710 558557528 /nfs/dbraw/zinc/55/75/28/558557528.db2.gz VKQOCSUDRBXBOX-LBPRGKRZSA-N 1 2 404.561 4.037 50 0 HIAALO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3ccc(NC(=O)C4CC4)s3)n2)C1 ZINC000010907710 558557531 /nfs/dbraw/zinc/55/75/31/558557531.db2.gz VKQOCSUDRBXBOX-LBPRGKRZSA-N 1 2 404.561 4.037 50 0 HIAALO Fc1ccccc1Nc1nnc(SC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)s1 ZINC000023508201 558560476 /nfs/dbraw/zinc/56/04/76/558560476.db2.gz PKHXXPODVOYHDM-INIZCTEOSA-N 1 2 416.547 4.414 50 0 HIAALO Fc1ccccc1Nc1nnc(SC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)s1 ZINC000023508201 558560477 /nfs/dbraw/zinc/56/04/77/558560477.db2.gz PKHXXPODVOYHDM-INIZCTEOSA-N 1 2 416.547 4.414 50 0 HIAALO c1ccc(C[N@@H+]2CCO[C@H](CSc3nnc(NC4CCCCC4)s3)C2)cc1 ZINC000023763229 558574980 /nfs/dbraw/zinc/57/49/80/558574980.db2.gz GGLHEOMZRYPSHS-SFHVURJKSA-N 1 2 404.605 4.276 50 0 HIAALO c1ccc(C[N@H+]2CCO[C@H](CSc3nnc(NC4CCCCC4)s3)C2)cc1 ZINC000023763229 558574983 /nfs/dbraw/zinc/57/49/83/558574983.db2.gz GGLHEOMZRYPSHS-SFHVURJKSA-N 1 2 404.605 4.276 50 0 HIAALO CC[N@H+](Cc1ccc(C(=O)Nc2ccccc2)cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000023873133 558578862 /nfs/dbraw/zinc/57/88/62/558578862.db2.gz PLZCNPMJJKQJEK-UHFFFAOYSA-N 1 2 412.493 4.198 50 0 HIAALO CC[N@@H+](Cc1ccc(C(=O)Nc2ccccc2)cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000023873133 558578865 /nfs/dbraw/zinc/57/88/65/558578865.db2.gz PLZCNPMJJKQJEK-UHFFFAOYSA-N 1 2 412.493 4.198 50 0 HIAALO O=C(N1CC[NH+](Cc2ccncc2)CC1)C1(Cc2nc3ccccc3s2)CCCC1 ZINC000023882513 558580000 /nfs/dbraw/zinc/58/00/00/558580000.db2.gz MFNUVZVHPUOVFY-UHFFFAOYSA-N 1 2 420.582 4.139 50 0 HIAALO CCc1ccc(-c2nc(C(=O)N3CC[NH+](Cc4ccc(OC)cc4)CC3)cs2)cc1 ZINC000024292437 558594290 /nfs/dbraw/zinc/59/42/90/558594290.db2.gz GXSRIZDSEBLADY-UHFFFAOYSA-N 1 2 421.566 4.339 50 0 HIAALO COc1cccc(C[N@H+](C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1OC ZINC000014128859 558623576 /nfs/dbraw/zinc/62/35/76/558623576.db2.gz IFNXYPRMFZNQNQ-UHFFFAOYSA-N 1 2 416.827 4.447 50 0 HIAALO COc1cccc(C[N@@H+](C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1OC ZINC000014128859 558623578 /nfs/dbraw/zinc/62/35/78/558623578.db2.gz IFNXYPRMFZNQNQ-UHFFFAOYSA-N 1 2 416.827 4.447 50 0 HIAALO CCOC(=O)c1sc2nc(C[NH2+][C@@H](C)c3ccccc3Cl)nc(N)c2c1C ZINC000025059299 558629512 /nfs/dbraw/zinc/62/95/12/558629512.db2.gz AHQCIWBYCPSYHA-NSHDSACASA-N 1 2 404.923 4.263 50 0 HIAALO COc1ccccc1NS(=O)(=O)c1cc(N2Cc3ccccc3C2=[NH2+])ccc1C ZINC000025329904 558638427 /nfs/dbraw/zinc/63/84/27/558638427.db2.gz QOPHNZSNXCBVBZ-UHFFFAOYSA-N 1 2 407.495 4.150 50 0 HIAALO O=C(NCCc1[nH+]ccn1Cc1ccccc1)C1(c2ccc(Br)cc2)CC1 ZINC000026217345 558657284 /nfs/dbraw/zinc/65/72/84/558657284.db2.gz OFAQKAPQDJUILC-UHFFFAOYSA-N 1 2 424.342 4.084 50 0 HIAALO COc1ccccc1Oc1ccc(C(=O)N2CC[NH+](Cc3ccc(F)cc3)CC2)o1 ZINC000072265298 558666422 /nfs/dbraw/zinc/66/64/22/558666422.db2.gz WPPHYALMUAMTLL-UHFFFAOYSA-N 1 2 410.445 4.178 50 0 HIAALO O=C(c1ccccc1SC[C@@H]1CCCO1)N1CC[NH+](Cc2ccccc2F)CC1 ZINC000027315236 558671817 /nfs/dbraw/zinc/67/18/17/558671817.db2.gz LWXAHQZBABJAIL-IBGZPJMESA-N 1 2 414.546 4.055 50 0 HIAALO Cc1cc(Cl)ccc1OCCCC(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000014910014 558679055 /nfs/dbraw/zinc/67/90/55/558679055.db2.gz KXRIMEPXLRJLPK-GOSISDBHSA-N 1 2 422.978 4.059 50 0 HIAALO COc1ccc(-c2nc(C[N@@H+]3CCCOc4c(cccc4OC)C3)c(C)o2)c(OC)c1 ZINC000014972738 558688061 /nfs/dbraw/zinc/68/80/61/558688061.db2.gz DRWDEGUFLTURSO-UHFFFAOYSA-N 1 2 424.497 4.461 50 0 HIAALO COc1ccc(-c2nc(C[N@H+]3CCCOc4c(cccc4OC)C3)c(C)o2)c(OC)c1 ZINC000014972738 558688063 /nfs/dbraw/zinc/68/80/63/558688063.db2.gz DRWDEGUFLTURSO-UHFFFAOYSA-N 1 2 424.497 4.461 50 0 HIAALO COc1cccc([C@@H](NC(=O)NCc2cccc(C(F)(F)F)c2)c2[nH+]ccn2C)c1 ZINC000029316912 558713278 /nfs/dbraw/zinc/71/32/78/558713278.db2.gz UOTFYKDALVJOFH-GOSISDBHSA-N 1 2 418.419 4.036 50 0 HIAALO O=C(c1ccccc1)N1CC[NH+](CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000029630194 558718100 /nfs/dbraw/zinc/71/81/00/558718100.db2.gz SAQYWXRFOYGFLD-UHFFFAOYSA-N 1 2 400.522 4.251 50 0 HIAALO C[N@@H+]1CCN(C(=O)CSc2ccc(Br)cc2)[C@H](c2ccccc2)C1 ZINC000030029385 558726442 /nfs/dbraw/zinc/72/64/42/558726442.db2.gz VOHWGUQQCCFSEW-SFHVURJKSA-N 1 2 405.361 4.057 50 0 HIAALO C[N@H+]1CCN(C(=O)CSc2ccc(Br)cc2)[C@H](c2ccccc2)C1 ZINC000030029385 558726444 /nfs/dbraw/zinc/72/64/44/558726444.db2.gz VOHWGUQQCCFSEW-SFHVURJKSA-N 1 2 405.361 4.057 50 0 HIAALO CCc1ccc(C(=O)N2CC[NH+](Cc3ccccc3OCC(F)(F)F)CC2)cc1 ZINC000072304843 558757633 /nfs/dbraw/zinc/75/76/33/558757633.db2.gz HRDJJNZRKHYNCX-UHFFFAOYSA-N 1 2 406.448 4.148 50 0 HIAALO Cc1ccccc1-n1ncc2c1nc[nH+]c2N1CCN(c2cccc(Cl)c2)CC1 ZINC000015880886 558760341 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O=c1c(C[N@@H+](Cc2cccnc2)Cc2ccc3c(c2)OCO3)coc2ccccc21 ZINC000063882426 558960735 /nfs/dbraw/zinc/96/07/35/558960735.db2.gz MTSLZPIOALFXKC-UHFFFAOYSA-N 1 2 400.434 4.119 50 0 HIAALO C[N@@H+]1CCc2nc3sc(C(=O)Nc4ccc(C(F)(F)F)cc4)c(N)c3cc2C1 ZINC000019691696 558960999 /nfs/dbraw/zinc/96/09/99/558960999.db2.gz DPKRJDQXKUJQQJ-UHFFFAOYSA-N 1 2 406.433 4.138 50 0 HIAALO C[N@H+]1CCc2nc3sc(C(=O)Nc4ccc(C(F)(F)F)cc4)c(N)c3cc2C1 ZINC000019691696 558961001 /nfs/dbraw/zinc/96/10/01/558961001.db2.gz DPKRJDQXKUJQQJ-UHFFFAOYSA-N 1 2 406.433 4.138 50 0 HIAALO CC(C)n1cc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c2ccccc2c1=O ZINC000072404171 558970515 /nfs/dbraw/zinc/97/05/15/558970515.db2.gz AICRPBFDILGBNU-DHZHZOJOSA-N 1 2 415.537 4.054 50 0 HIAALO CN1CC[N@H+](Cc2cc3cc4c(cc3nc2-c2ccc(Cl)cc2)CCC4)CC1=O ZINC000072409714 558977453 /nfs/dbraw/zinc/97/74/53/558977453.db2.gz SJSQZTOUIOJLIY-UHFFFAOYSA-N 1 2 405.929 4.318 50 0 HIAALO CN1CC[N@@H+](Cc2cc3cc4c(cc3nc2-c2ccc(Cl)cc2)CCC4)CC1=O ZINC000072409714 558977454 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Cc1cccn2cc(-c3ccccc3NC(=O)CCS(=O)(=O)c3ccccc3)[nH+]c12 ZINC000206901710 560749100 /nfs/dbraw/zinc/74/91/00/560749100.db2.gz RPXBJGNCDRBTQI-UHFFFAOYSA-N 1 2 419.506 4.112 50 0 HIAALO CCOC(=O)[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)C1 ZINC000102228232 560809054 /nfs/dbraw/zinc/80/90/54/560809054.db2.gz AQEULXLJDLNFGC-GHMZBOCLSA-N 1 2 407.725 4.249 50 0 HIAALO CCOC(=O)[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)C1 ZINC000102228232 560809056 /nfs/dbraw/zinc/80/90/56/560809056.db2.gz AQEULXLJDLNFGC-GHMZBOCLSA-N 1 2 407.725 4.249 50 0 HIAALO CCCNc1cc(N2CCC[C@H](CCC(=O)N[C@H](C)c3cccs3)C2)nc[nH+]1 ZINC000106482445 560892130 /nfs/dbraw/zinc/89/21/30/560892130.db2.gz VYSVIKOVMUELNO-IAGOWNOFSA-N 1 2 401.580 4.234 50 0 HIAALO CCCNc1cc(N2CCC[C@H](CCC(=O)N[C@H](C)c3cccs3)C2)[nH+]cn1 ZINC000106482445 560892132 /nfs/dbraw/zinc/89/21/32/560892132.db2.gz VYSVIKOVMUELNO-IAGOWNOFSA-N 1 2 401.580 4.234 50 0 HIAALO CC1CCN(c2ccc(CNC(=O)c3cc(-c4ccccc4Cl)n[nH]3)c[nH+]2)CC1 ZINC000048290830 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ZINC000020942474 568652833 /nfs/dbraw/zinc/65/28/33/568652833.db2.gz LUWILDNYQFUJNU-UHFFFAOYSA-N 1 2 419.525 4.375 50 0 HIAALO O=C(C1CCN(c2[nH+]c3ccccc3n2Cc2ccc(F)cc2)CC1)N1CCCC1 ZINC000021158823 568674160 /nfs/dbraw/zinc/67/41/60/568674160.db2.gz NGLFCAJZSYRYGO-UHFFFAOYSA-N 1 2 406.505 4.063 50 0 HIAALO COc1ccc(S(=O)(=O)Nc2ccccc2CCc2[nH+]c3ccccc3n2C)cc1 ZINC000021356970 568688299 /nfs/dbraw/zinc/68/82/99/568688299.db2.gz HVTUGWCALMEGOT-UHFFFAOYSA-N 1 2 421.522 4.168 50 0 HIAALO O=C(NCc1cccs1)[C@@H]1CCCN(c2cc(-n3ccc4ccccc43)nc[nH+]2)C1 ZINC000096124057 568700434 /nfs/dbraw/zinc/70/04/34/568700434.db2.gz NAHLXEOTSOKOSH-GOSISDBHSA-N 1 2 417.538 4.015 50 0 HIAALO CCc1[nH+]c(C2CC2)nc(N2CCN(C(=O)C(C)C)CC2)c1Cc1cccc(C)c1 ZINC000096316821 568725912 /nfs/dbraw/zinc/72/59/12/568725912.db2.gz WKNWGXFYIKSWKN-UHFFFAOYSA-N 1 2 406.574 4.120 50 0 HIAALO CC[C@@H](C)c1nc(N2CCN(C(=O)N(C)C)CC2)c(Cc2cccc(C)c2)c(C)[nH+]1 ZINC000096317486 568726876 /nfs/dbraw/zinc/72/68/76/568726876.db2.gz HZBCUUKAZIYWJM-GOSISDBHSA-N 1 2 409.578 4.001 50 0 HIAALO CCN1CC[NH+]([C@@H](c2cccs2)[C@@H](C)NC(=S)Nc2cccc(Cl)c2)CC1 ZINC000022460559 568768463 /nfs/dbraw/zinc/76/84/63/568768463.db2.gz OGKMVRDUDFZFSR-DNVCBOLYSA-N 1 2 423.051 4.455 50 0 HIAALO CC[C@@H](C)c1ccccc1NC(=O)C[N@H+](C)Cc1ccc(OC)c(OC)c1OC ZINC000002662065 568799256 /nfs/dbraw/zinc/79/92/56/568799256.db2.gz CWTLZRAJCNFPPV-MRXNPFEDSA-N 1 2 400.519 4.296 50 0 HIAALO CC[C@@H](C)c1ccccc1NC(=O)C[N@@H+](C)Cc1ccc(OC)c(OC)c1OC ZINC000002662065 568799258 /nfs/dbraw/zinc/79/92/58/568799258.db2.gz CWTLZRAJCNFPPV-MRXNPFEDSA-N 1 2 400.519 4.296 50 0 HIAALO Cn1cccc1[C@H]1CCC[N@@H+]1Cc1nc(=O)c2c(-c3ccc(F)cc3)csc2[nH]1 ZINC000057293292 568826133 /nfs/dbraw/zinc/82/61/33/568826133.db2.gz XLXUBFOMEFPXNN-GOSISDBHSA-N 1 2 408.502 4.466 50 0 HIAALO Cn1cccc1[C@H]1CCC[N@H+]1Cc1nc(=O)c2c(-c3ccc(F)cc3)csc2[nH]1 ZINC000057293292 568826135 /nfs/dbraw/zinc/82/61/35/568826135.db2.gz XLXUBFOMEFPXNN-GOSISDBHSA-N 1 2 408.502 4.466 50 0 HIAALO CCOC(=O)c1oc2ccccc2c1C[NH+]1CCN(c2ccccc2OCC)CC1 ZINC000057303791 568826413 /nfs/dbraw/zinc/82/64/13/568826413.db2.gz NCBLRJMTSNUVSM-UHFFFAOYSA-N 1 2 408.498 4.330 50 0 HIAALO Cc1ccc2[nH+]c(COc3cccc(C(=O)Oc4ccc5c(c4)OCO5)c3)cn2c1 ZINC000012507030 568839472 /nfs/dbraw/zinc/83/94/72/568839472.db2.gz BCVRJZJJZGHUOV-UHFFFAOYSA-N 1 2 402.406 4.170 50 0 HIAALO O=S(=O)(Nc1ccc(-n2cc[nH+]c2)cc1)c1ccc(Cl)cc1C(F)(F)F ZINC000012520644 568841091 /nfs/dbraw/zinc/84/10/91/568841091.db2.gz VGZOGSQRQJFCFA-UHFFFAOYSA-N 1 2 401.797 4.345 50 0 HIAALO CN(Cc1cn2cc(Cl)ccc2[nH+]1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000012534922 568844907 /nfs/dbraw/zinc/84/49/07/568844907.db2.gz DMONZGKRMGQUEY-UHFFFAOYSA-N 1 2 404.706 4.115 50 0 HIAALO O=C(c1cc(-c2ccccc2)nc2ccccc21)N1CC[NH+](Cc2ccncc2)CC1 ZINC000012544182 568849340 /nfs/dbraw/zinc/84/93/40/568849340.db2.gz KOZNLWWSMCTCJR-UHFFFAOYSA-N 1 2 408.505 4.255 50 0 HIAALO CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000012560200 568857498 /nfs/dbraw/zinc/85/74/98/568857498.db2.gz NWUQMSASUSKHOO-GAJHUEQPSA-N 1 2 400.482 4.014 50 0 HIAALO CCCn1nc(C(=O)Nc2ccc3c(c2)[nH+]c2n3CCCCC2)c2ccccc2c1=O ZINC000012602832 568870224 /nfs/dbraw/zinc/87/02/24/568870224.db2.gz IVXPKBBMFFFTLT-UHFFFAOYSA-N 1 2 415.497 4.135 50 0 HIAALO COc1ccccc1[C@H](NC(=O)Cc1ccc(Cl)cc1Cl)c1[nH+]ccn1C ZINC000012602006 568870262 /nfs/dbraw/zinc/87/02/62/568870262.db2.gz ALZDDYVQXKKSGP-IBGZPJMESA-N 1 2 404.297 4.184 50 0 HIAALO CC(C)CCNC(=O)C1CC[NH+]([C@H](C)C(=O)Nc2cccc(Cl)c2Cl)CC1 ZINC000053090999 568934854 /nfs/dbraw/zinc/93/48/54/568934854.db2.gz KKCRPEHDFZTREC-CQSZACIVSA-N 1 2 414.377 4.195 50 0 HIAALO CC[N@H+](CCCNC(=O)CCc1nc(-c2ccc(OC)cc2)no1)c1cccc(C)c1 ZINC000004057042 568936488 /nfs/dbraw/zinc/93/64/88/568936488.db2.gz WPQXAHXKBVZLSZ-UHFFFAOYSA-N 1 2 422.529 4.019 50 0 HIAALO CC[N@@H+](CCCNC(=O)CCc1nc(-c2ccc(OC)cc2)no1)c1cccc(C)c1 ZINC000004057042 568936489 /nfs/dbraw/zinc/93/64/89/568936489.db2.gz WPQXAHXKBVZLSZ-UHFFFAOYSA-N 1 2 422.529 4.019 50 0 HIAALO Cc1cccc(S(=O)(=O)Nc2ccc(Nc3cc(N4CCCC4)[nH+]c(C)n3)cc2)c1 ZINC000015671333 568961936 /nfs/dbraw/zinc/96/19/36/568961936.db2.gz XBDVXJFAUCUCFS-UHFFFAOYSA-N 1 2 423.542 4.238 50 0 HIAALO Cc1ccc(-c2cc(NC(=O)C[N@@H+]3CCC[C@H]3c3ccc4c(c3)OCCO4)on2)cc1 ZINC000007988642 568966018 /nfs/dbraw/zinc/96/60/18/568966018.db2.gz QGISCJXPCXJLNK-FQEVSTJZSA-N 1 2 419.481 4.197 50 0 HIAALO Cc1ccc(-c2cc(NC(=O)C[N@H+]3CCC[C@H]3c3ccc4c(c3)OCCO4)on2)cc1 ZINC000007988642 568966020 /nfs/dbraw/zinc/96/60/20/568966020.db2.gz QGISCJXPCXJLNK-FQEVSTJZSA-N 1 2 419.481 4.197 50 0 HIAALO c1c(CSc2nnc(SCc3cn4ccccc4[nH+]3)s2)nc2ccccn12 ZINC000006161462 569015866 /nfs/dbraw/zinc/01/58/66/569015866.db2.gz DBJIQWQAIPYNHY-UHFFFAOYSA-N 1 2 410.553 4.418 50 0 HIAALO O=C(C[NH+]1CCC(C(=O)N2CCCCCC2)CC1)Nc1ccc(Cl)cc1Cl ZINC000012898872 569020517 /nfs/dbraw/zinc/02/05/17/569020517.db2.gz QTCGZECDDLXJEJ-UHFFFAOYSA-N 1 2 412.361 4.047 50 0 HIAALO CCNC(=O)c1cccc(NC(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2)c1 ZINC000012936887 569027403 /nfs/dbraw/zinc/02/74/03/569027403.db2.gz CIXWPWULABGVOP-QHCPKHFHSA-N 1 2 419.550 4.084 50 0 HIAALO CCNC(=O)c1cccc(NC(=O)C[N@H+]2CCc3sccc3[C@@H]2c2ccccc2)c1 ZINC000012936887 569027404 /nfs/dbraw/zinc/02/74/04/569027404.db2.gz CIXWPWULABGVOP-QHCPKHFHSA-N 1 2 419.550 4.084 50 0 HIAALO O=C(N[C@H](Cc1ccccc1)c1ccccc1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000013011856 569050512 /nfs/dbraw/zinc/05/05/12/569050512.db2.gz NTIIWUHKTPEBDA-RUZDIDTESA-N 1 2 400.522 4.233 50 0 HIAALO C[N@H+](CC(=O)Nc1ccc(F)cc1Cl)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000239475444 569054437 /nfs/dbraw/zinc/05/44/37/569054437.db2.gz AOJAOLJZOIKNND-AEFFLSMTSA-N 1 2 417.695 4.315 50 0 HIAALO C[N@@H+](CC(=O)Nc1ccc(F)cc1Cl)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000239475444 569054438 /nfs/dbraw/zinc/05/44/38/569054438.db2.gz AOJAOLJZOIKNND-AEFFLSMTSA-N 1 2 417.695 4.315 50 0 HIAALO CCc1[nH+]c(C)nc(N2CCN(C(=O)C(C)(C)C)CC2)c1Cc1ccc(Cl)cc1 ZINC000035769160 569057972 /nfs/dbraw/zinc/05/79/72/569057972.db2.gz PHRFQDIQIBPKSC-UHFFFAOYSA-N 1 2 414.981 4.286 50 0 HIAALO COc1ccc(OC)c(Nc2c(C(=O)N3CCSCC3)c[nH+]c3ccccc32)c1 ZINC000064471845 569063461 /nfs/dbraw/zinc/06/34/61/569063461.db2.gz QTWSBOMXTGUMDW-UHFFFAOYSA-N 1 2 409.511 4.185 50 0 HIAALO COc1ccc2c(c1)c(C(=O)C[NH+]1CCN(c3ccc(Cl)cc3)CC1)c(C)n2C ZINC000035895476 569065178 /nfs/dbraw/zinc/06/51/78/569065178.db2.gz QCPTYBJRPNFIJK-UHFFFAOYSA-N 1 2 411.933 4.154 50 0 HIAALO Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)N(C)Cc3ccccc3C)csc2C1 ZINC000426500105 569073160 /nfs/dbraw/zinc/07/31/60/569073160.db2.gz MLVACMPYZDTDPY-UHFFFAOYSA-N 1 2 409.555 4.492 50 0 HIAALO Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)N(C)Cc3ccccc3C)csc2C1 ZINC000426500105 569073161 /nfs/dbraw/zinc/07/31/61/569073161.db2.gz MLVACMPYZDTDPY-UHFFFAOYSA-N 1 2 409.555 4.492 50 0 HIAALO CC[C@@H](NC(=O)c1csc2c1CC[N@H+](Cc1c(C)noc1C)C2)c1ccccn1 ZINC000426701452 569073890 /nfs/dbraw/zinc/07/38/90/569073890.db2.gz PRHZXFKTUVUPLG-LJQANCHMSA-N 1 2 410.543 4.187 50 0 HIAALO CC[C@@H](NC(=O)c1csc2c1CC[N@@H+](Cc1c(C)noc1C)C2)c1ccccn1 ZINC000426701452 569073891 /nfs/dbraw/zinc/07/38/91/569073891.db2.gz PRHZXFKTUVUPLG-LJQANCHMSA-N 1 2 410.543 4.187 50 0 HIAALO CC(C)C[C@H]1[NH2+]C2(CCN(C(=O)c3ccccc3)CC2)N([C@H](C)c2ccccc2)C1=O ZINC000036032556 569080002 /nfs/dbraw/zinc/08/00/02/569080002.db2.gz QLCDUZWKSHWGGP-NFBKMPQASA-N 1 2 419.569 4.227 50 0 HIAALO COc1ccccc1C(=O)Nc1ccc2c(c1)nc(Cn1cc[nH+]c1)n2CC(C)C ZINC000006665149 569085962 /nfs/dbraw/zinc/08/59/62/569085962.db2.gz CHAIHIWOWAPLPU-UHFFFAOYSA-N 1 2 403.486 4.198 50 0 HIAALO COCCN(Cc1[nH+]ccn1Cc1c(C)cc(C)cc1C)C(=O)c1ccccc1F ZINC000006724021 569100472 /nfs/dbraw/zinc/10/04/72/569100472.db2.gz UEUVUJXXSQCQJL-UHFFFAOYSA-N 1 2 409.505 4.285 50 0 HIAALO Cc1cc(C)c2[nH]c3c(c(=O)c2c1)C[N@H+](CC(=O)Nc1cccc(Cl)c1C)CC3 ZINC000065034964 569158615 /nfs/dbraw/zinc/15/86/15/569158615.db2.gz PZQNUNHVUSCDSZ-UHFFFAOYSA-N 1 2 409.917 4.104 50 0 HIAALO Cc1cc(C)c2[nH]c3c(c(=O)c2c1)C[N@@H+](CC(=O)Nc1cccc(Cl)c1C)CC3 ZINC000065034964 569158616 /nfs/dbraw/zinc/15/86/16/569158616.db2.gz PZQNUNHVUSCDSZ-UHFFFAOYSA-N 1 2 409.917 4.104 50 0 HIAALO O=C(C[N@@H+]1CCc2sccc2[C@H]1c1cccs1)NC(=O)Nc1ccccc1F ZINC000036442625 569183969 /nfs/dbraw/zinc/18/39/69/569183969.db2.gz AHXSWNIOTMBDHV-IBGZPJMESA-N 1 2 415.515 4.245 50 0 HIAALO O=C(C[N@H+]1CCc2sccc2[C@H]1c1cccs1)NC(=O)Nc1ccccc1F ZINC000036442625 569183970 /nfs/dbraw/zinc/18/39/70/569183970.db2.gz AHXSWNIOTMBDHV-IBGZPJMESA-N 1 2 415.515 4.245 50 0 HIAALO Cc1cccc(-c2noc(C3CC[NH+](CC(=O)Nc4ccc(F)c(F)c4)CC3)n2)c1 ZINC000065184131 569191229 /nfs/dbraw/zinc/19/12/29/569191229.db2.gz ASHVBIFXEMWOGS-UHFFFAOYSA-N 1 2 412.440 4.141 50 0 HIAALO Cc1cc(N)nc(SCC(=O)N(C)Cc2ccc(-c3ccc(Cl)cc3)o2)[nH+]1 ZINC000007094316 569219592 /nfs/dbraw/zinc/21/95/92/569219592.db2.gz CEIMRPKKVAOAQM-UHFFFAOYSA-N 1 2 402.907 4.031 50 0 HIAALO O=C(Cc1ccc(F)cc1)N(CCCn1cc[nH+]c1)c1nc2c(cccc2F)s1 ZINC000007424509 569238197 /nfs/dbraw/zinc/23/81/97/569238197.db2.gz UKPLBLJCTXJXLR-UHFFFAOYSA-N 1 2 412.465 4.437 50 0 HIAALO COc1ccc(NC(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2cccs2)cc1OC ZINC000037208959 569240276 /nfs/dbraw/zinc/24/02/76/569240276.db2.gz JDMUHHAOKDDFOZ-OAQYLSRUSA-N 1 2 414.552 4.413 50 0 HIAALO COc1ccc(NC(=O)C[N@H+]2CCc3sccc3[C@@H]2c2cccs2)cc1OC ZINC000037208959 569240277 /nfs/dbraw/zinc/24/02/77/569240277.db2.gz JDMUHHAOKDDFOZ-OAQYLSRUSA-N 1 2 414.552 4.413 50 0 HIAALO C[C@H](C(=O)c1c[nH]c2ccccc21)[NH+]1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000014329159 569259506 /nfs/dbraw/zinc/25/95/06/569259506.db2.gz NEPWXKQEPWAFLG-MRXNPFEDSA-N 1 2 418.493 4.105 50 0 HIAALO COc1ccc(NC(=O)c2ccc(NC(=O)C[N@H+](C)Cc3ccsc3)cc2)cc1 ZINC000007926929 569327364 /nfs/dbraw/zinc/32/73/64/569327364.db2.gz YDQFIKYILZXVBV-UHFFFAOYSA-N 1 2 409.511 4.080 50 0 HIAALO COc1ccc(NC(=O)c2ccc(NC(=O)C[N@@H+](C)Cc3ccsc3)cc2)cc1 ZINC000007926929 569327366 /nfs/dbraw/zinc/32/73/66/569327366.db2.gz YDQFIKYILZXVBV-UHFFFAOYSA-N 1 2 409.511 4.080 50 0 HIAALO O=C(C[N@@H+](Cc1cccs1)C[C@@H]1CCCO1)Nc1ccc(Br)cc1 ZINC000007927151 569327424 /nfs/dbraw/zinc/32/74/24/569327424.db2.gz XTLJCPBYAFMZKF-INIZCTEOSA-N 1 2 409.349 4.130 50 0 HIAALO O=C(C[N@H+](Cc1cccs1)C[C@@H]1CCCO1)Nc1ccc(Br)cc1 ZINC000007927151 569327426 /nfs/dbraw/zinc/32/74/26/569327426.db2.gz XTLJCPBYAFMZKF-INIZCTEOSA-N 1 2 409.349 4.130 50 0 HIAALO C[C@@H](Cc1ccccc1)n1cc(NC(=O)Nc2ccc(Br)cc2)[o+]n1 ZINC000033827163 569357834 /nfs/dbraw/zinc/35/78/34/569357834.db2.gz KZJNWWXSTBOBLJ-ZDUSSCGKSA-O 1 2 402.272 4.172 50 0 HIAALO CCCCOc1ccc(NC(=O)NC[C@H](c2ccoc2)[NH+]2CCSCC2)cc1 ZINC000253409088 569366410 /nfs/dbraw/zinc/36/64/10/569366410.db2.gz ZLMUYJZFSCUVKU-HXUWFJFHSA-N 1 2 403.548 4.370 50 0 HIAALO O=C(NCCCn1cc[nH+]c1)c1ccccc1NC(=O)c1ccc(Cl)cc1Cl ZINC000002369365 569388569 /nfs/dbraw/zinc/38/85/69/569388569.db2.gz UBEIMOKKDKQPBV-UHFFFAOYSA-N 1 2 417.296 4.262 50 0 HIAALO COc1ccccc1C(=O)Nc1ccc2c(c1)nc1n2CC[N@@H+](C2CCCCC2)C1 ZINC000055236067 569395465 /nfs/dbraw/zinc/39/54/65/569395465.db2.gz PSJROXZNGMTATO-UHFFFAOYSA-N 1 2 404.514 4.446 50 0 HIAALO COc1ccccc1C(=O)Nc1ccc2c(c1)nc1n2CC[N@H+](C2CCCCC2)C1 ZINC000055236067 569395466 /nfs/dbraw/zinc/39/54/66/569395466.db2.gz PSJROXZNGMTATO-UHFFFAOYSA-N 1 2 404.514 4.446 50 0 HIAALO CCc1cccc(C)c1NC(=O)CSc1[nH+]cnc2c1cnn2Cc1ccccc1 ZINC000002444800 569400957 /nfs/dbraw/zinc/40/09/57/569400957.db2.gz MRRDJMCVMDHGHE-UHFFFAOYSA-N 1 2 417.538 4.476 50 0 HIAALO CSc1nc2c(sc3nc(CC(C)C)c4c(c32)CC(C)(C)OC4)c(NN)[nH+]1 ZINC000002446639 569401467 /nfs/dbraw/zinc/40/14/67/569401467.db2.gz IGIRVBDAPLDLKC-UHFFFAOYSA-N 1 2 403.577 4.297 50 0 HIAALO Cc1ccc(-n2ncc3c2nc[nH+]c3SCC(=O)Nc2ccc(F)cc2F)cc1 ZINC000002450668 569403848 /nfs/dbraw/zinc/40/38/48/569403848.db2.gz KLAHWFDZOQECOX-UHFFFAOYSA-N 1 2 411.437 4.133 50 0 HIAALO Cc1ccc(-n2ncc3c2nc[nH+]c3SCC(=O)Nc2cc(C)ccc2C)cc1 ZINC000002453533 569406386 /nfs/dbraw/zinc/40/63/86/569406386.db2.gz RSVMGAJAICNIDB-UHFFFAOYSA-N 1 2 403.511 4.472 50 0 HIAALO O=C(Nc1nc(-c2ccc(F)cc2)cs1)[C@@H](c1ccccc1)[N@@H+]1CCC[C@H](O)C1 ZINC000078970741 569422369 /nfs/dbraw/zinc/42/23/69/569422369.db2.gz VHQQIUINQPIGMZ-AZUAARDMSA-N 1 2 411.502 4.086 50 0 HIAALO O=C(Nc1nc(-c2ccc(F)cc2)cs1)[C@@H](c1ccccc1)[N@H+]1CCC[C@H](O)C1 ZINC000078970741 569422371 /nfs/dbraw/zinc/42/23/71/569422371.db2.gz VHQQIUINQPIGMZ-AZUAARDMSA-N 1 2 411.502 4.086 50 0 HIAALO Cc1ccc(-c2nnc([C@@H](C)[N@@H+]3CCCN(C(=O)c4ccsc4)CC3)o2)cc1C ZINC000079102118 569427516 /nfs/dbraw/zinc/42/75/16/569427516.db2.gz YOQWGKMGRMXGMX-QGZVFWFLSA-N 1 2 410.543 4.324 50 0 HIAALO Cc1ccc(-c2nnc([C@@H](C)[N@H+]3CCCN(C(=O)c4ccsc4)CC3)o2)cc1C ZINC000079102118 569427517 /nfs/dbraw/zinc/42/75/17/569427517.db2.gz YOQWGKMGRMXGMX-QGZVFWFLSA-N 1 2 410.543 4.324 50 0 HIAALO Cc1cccn2cc(CSc3nnc(-c4cccs4)n3C[C@@H]3CCCO3)[nH+]c12 ZINC000008709768 571104684 /nfs/dbraw/zinc/10/46/84/571104684.db2.gz IWGYQLYJMFZGGT-INIZCTEOSA-N 1 2 411.556 4.434 50 0 HIAALO CN1CC[NH+](Cc2cccc(NC(=O)c3ccc4[nH]c5c(c4c3)CCCC5)c2)CC1 ZINC000069946934 571250727 /nfs/dbraw/zinc/25/07/27/571250727.db2.gz DLQJDVPZGPLGFJ-UHFFFAOYSA-N 1 2 402.542 4.046 50 0 HIAALO C[C@H](c1nnc(SCC(=O)c2ccc(F)c(F)c2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000009548823 571267930 /nfs/dbraw/zinc/26/79/30/571267930.db2.gz IDEMUESBVIFJBX-GFCCVEGCSA-N 1 2 420.460 4.282 50 0 HIAALO CCN(CC)c1cc(C)[nH+]c(Nc2ccc(NS(=O)(=O)c3ccccc3)cc2)n1 ZINC000009572498 571269244 /nfs/dbraw/zinc/26/92/44/571269244.db2.gz ZPGOTIHSSXVHOQ-UHFFFAOYSA-N 1 2 411.531 4.176 50 0 HIAALO C[C@@H](NC(=O)CSc1nccn1-c1cccc(F)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000009596702 571272404 /nfs/dbraw/zinc/27/24/04/571272404.db2.gz KDMUOMFCOZEVOA-MRXNPFEDSA-N 1 2 421.501 4.167 50 0 HIAALO O[C@H](Cc1ccccc1)c1ccc2c(c1)C[N@@H+](Cc1ccc3nsnc3c1)CCO2 ZINC000014990039 845996998 /nfs/dbraw/zinc/99/69/98/845996998.db2.gz JTXAELKONWUPLT-HSZRJFAPSA-N 1 2 417.534 4.362 50 0 HIAALO O[C@H](Cc1ccccc1)c1ccc2c(c1)C[N@H+](Cc1ccc3nsnc3c1)CCO2 ZINC000014990039 845997000 /nfs/dbraw/zinc/99/70/00/845997000.db2.gz JTXAELKONWUPLT-HSZRJFAPSA-N 1 2 417.534 4.362 50 0 HIAALO Cc1c[nH+]c(-c2ccccc2)n1CC1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000575550597 948675823 /nfs/dbraw/zinc/67/58/23/948675823.db2.gz XBEZVUQZAQKDGH-UHFFFAOYSA-N 1 2 413.518 4.099 50 0 HIAALO Cc1c[nH+]c(-c2cccnc2)n1C[C@@H]1CCCN(C(=O)C2(c3ccccc3)CC2)C1 ZINC000575547771 948676802 /nfs/dbraw/zinc/67/68/02/948676802.db2.gz WJVQEYFBPCIXKA-HXUWFJFHSA-N 1 2 400.526 4.224 50 0 HIAALO Cc1nc(N2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)c(C(C)C)c(C)[nH+]1 ZINC000000697466 132231056 /nfs/dbraw/zinc/23/10/56/132231056.db2.gz OEVKDWACCLDTML-UHFFFAOYSA-N 1 2 407.345 4.486 50 0 HIAALO COc1cc(OC)c(C[NH+]2CCN(c3ccccc3C)CC2)cc1Br ZINC000001227182 132243209 /nfs/dbraw/zinc/24/32/09/132243209.db2.gz GICMSYWBFUHOPC-UHFFFAOYSA-N 1 2 405.336 4.097 50 0 HIAALO Cc1cccc(-n2ncc3c2nc[nH+]c3N2CCN(c3ccccc3Cl)CC2)c1 ZINC000001250823 132243358 /nfs/dbraw/zinc/24/33/58/132243358.db2.gz TXPUCMAPRHOTDJ-UHFFFAOYSA-N 1 2 404.905 4.104 50 0 HIAALO Cc1ccc(N2CCN(c3[nH+]cnc4c3cnn4-c3ccc(Cl)cc3)C[C@@H]2C)cc1 ZINC000004658098 132280991 /nfs/dbraw/zinc/28/09/91/132280991.db2.gz WLWXTSUPIWPMBC-KRWDZBQOSA-N 1 2 418.932 4.492 50 0 HIAALO Cc1ccccc1Cc1c(C)[nH+]c(C)nc1N1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000006801677 132317434 /nfs/dbraw/zinc/31/74/34/132317434.db2.gz ZFVXEHCSNPCBAM-UHFFFAOYSA-N 1 2 418.516 4.094 50 0 HIAALO Cc1cc(/C=C/C(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)c(C)n1C1CC1 ZINC000008276906 132329184 /nfs/dbraw/zinc/32/91/84/132329184.db2.gz HZGXPVYJQIAPHO-RMKNXTFCSA-N 1 2 407.562 4.024 50 0 HIAALO CCOC(=O)c1c[nH+]c2ccc(OC)cc2c1Nc1ccc(N2CCOCC2)cc1 ZINC000000948641 521576209 /nfs/dbraw/zinc/57/62/09/521576209.db2.gz FFQNCORYYVPOSY-UHFFFAOYSA-N 1 2 407.470 4.000 50 0 HIAALO CCCn1c(C[NH+]2CCN(c3ccccc3)CC2)nc2cc(NC(=O)CC)ccc21 ZINC000020592038 521629217 /nfs/dbraw/zinc/62/92/17/521629217.db2.gz RRIMYOYFXSMBCQ-UHFFFAOYSA-N 1 2 405.546 4.117 50 0 HIAALO COc1ccc(C)cc1NC(=O)Nc1ccc2[nH+]c(N3CCOCC3)cc(C)c2c1 ZINC000032953911 523835509 /nfs/dbraw/zinc/83/55/09/523835509.db2.gz PCURWDZXKYAQOP-UHFFFAOYSA-N 1 2 406.486 4.341 50 0 HIAALO O=C(c1ccc(OCc2ccccc2Cl)cc1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000032623744 526709541 /nfs/dbraw/zinc/70/95/41/526709541.db2.gz OJRKEJIOHZASLW-UHFFFAOYSA-N 1 2 421.928 4.272 50 0 HIAALO O=C(NCc1ccccc1C[NH+]1CCOCC1)c1ccc(OCc2ccccc2)cc1 ZINC000022764748 526745213 /nfs/dbraw/zinc/74/52/13/526745213.db2.gz CIOBSIVOTOAMSX-UHFFFAOYSA-N 1 2 416.521 4.028 50 0 HIAALO Cc1nc(-n2ccnc2)cc(Nc2ccc(NC(=O)[C@H](C)Oc3ccccc3)cc2)[nH+]1 ZINC000036705775 527003188 /nfs/dbraw/zinc/00/31/88/527003188.db2.gz SEPRWSGYNRQVSJ-INIZCTEOSA-N 1 2 414.469 4.120 50 0 HIAALO Cc1nn(-c2ccccc2)c(C)c1CNC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000032802123 527540790 /nfs/dbraw/zinc/54/07/90/527540790.db2.gz KYIPEEYFJYRUSC-KRWDZBQOSA-N 1 2 414.513 4.235 50 0 HIAALO CCC[N@H+](CC(=O)Nc1ccc(N2CCCCC2)cc1)Cc1nnc(-c2ccco2)o1 ZINC000007494453 535280942 /nfs/dbraw/zinc/28/09/42/535280942.db2.gz NDPKOBIBQXFXHU-UHFFFAOYSA-N 1 2 423.517 4.171 50 0 HIAALO CCC[N@@H+](CC(=O)Nc1ccc(N2CCCCC2)cc1)Cc1nnc(-c2ccco2)o1 ZINC000007494453 535280946 /nfs/dbraw/zinc/28/09/46/535280946.db2.gz NDPKOBIBQXFXHU-UHFFFAOYSA-N 1 2 423.517 4.171 50 0 HIAALO Cc1nc2n(n1)C(=O)C([C@H](c1cccc(Br)c1)[N@@H+]1CCC[C@@H](C)C1)S2 ZINC000022626057 557077572 /nfs/dbraw/zinc/07/75/72/557077572.db2.gz XYBPPAZJPNCVJB-ABAIWWIYSA-N 1 2 421.364 4.389 50 0 HIAALO Cc1nc2n(n1)C(=O)C([C@H](c1cccc(Br)c1)[N@H+]1CCC[C@@H](C)C1)S2 ZINC000022626057 557077573 /nfs/dbraw/zinc/07/75/73/557077573.db2.gz XYBPPAZJPNCVJB-ABAIWWIYSA-N 1 2 421.364 4.389 50 0 HIAALO O=C1C[C@@H](n2c3ccccc3[nH+]c2CCc2ccccc2)C(=O)N1c1ccc(F)cc1 ZINC000001075307 557172638 /nfs/dbraw/zinc/17/26/38/557172638.db2.gz PMRNVVHXKNTKCR-JOCHJYFZSA-N 1 2 413.452 4.465 50 0 HIAALO CCCC(=O)NC(=S)Nc1cc2nn(-c3ccc([NH+](CC)CC)cc3)nc2cc1C ZINC000001121573 557191255 /nfs/dbraw/zinc/19/12/55/557191255.db2.gz NLQQYUSCCKPQLK-UHFFFAOYSA-N 1 2 424.574 4.188 50 0 HIAALO O=C(c1ccccc1)N1CCCCC[C@H]1C1CC[NH+](Cc2nnc(C3CC3)o2)CC1 ZINC000071889323 557294272 /nfs/dbraw/zinc/29/42/72/557294272.db2.gz JZZNTAAYLJLCEO-NRFANRHFSA-N 1 2 408.546 4.244 50 0 HIAALO CCCCc1noc(C[NH+]2CCC3(C[C@@H]3c3nnc(-c4cccc(F)c4)o3)CC2)n1 ZINC000071890592 557317865 /nfs/dbraw/zinc/31/78/65/557317865.db2.gz IDZZJCTZZXNZAU-QGZVFWFLSA-N 1 2 411.481 4.371 50 0 HIAALO O=C(c1ccc(F)cc1)N(C[C@H]1C[N@H+](Cc2cccs2)CCO1)C1CCCC1 ZINC000034691960 557372493 /nfs/dbraw/zinc/37/24/93/557372493.db2.gz DSSCQZIDBOMASE-HXUWFJFHSA-N 1 2 402.535 4.173 50 0 HIAALO O=C(c1ccc(F)cc1)N(C[C@H]1C[N@@H+](Cc2cccs2)CCO1)C1CCCC1 ZINC000034691960 557372496 /nfs/dbraw/zinc/37/24/96/557372496.db2.gz DSSCQZIDBOMASE-HXUWFJFHSA-N 1 2 402.535 4.173 50 0 HIAALO COc1cccc(C[N@@H+]2CCO[C@@H](CN(C(=O)c3ccc(C)cc3)C3CCCC3)C2)c1 ZINC000034692012 557372572 /nfs/dbraw/zinc/37/25/72/557372572.db2.gz DDEBJLRDNUQEKC-RUZDIDTESA-N 1 2 422.569 4.289 50 0 HIAALO COc1cccc(C[N@H+]2CCO[C@@H](CN(C(=O)c3ccc(C)cc3)C3CCCC3)C2)c1 ZINC000034692012 557372576 /nfs/dbraw/zinc/37/25/76/557372576.db2.gz DDEBJLRDNUQEKC-RUZDIDTESA-N 1 2 422.569 4.289 50 0 HIAALO COc1cc2c(cc1OC)[C@@H](CNC(=O)c1cccs1)[N@H+](Cc1ccccc1)CC2 ZINC000034855706 557477283 /nfs/dbraw/zinc/47/72/83/557477283.db2.gz JEKPJNQTULXLDL-HXUWFJFHSA-N 1 2 422.550 4.295 50 0 HIAALO COc1cc2c(cc1OC)[C@@H](CNC(=O)c1cccs1)[N@@H+](Cc1ccccc1)CC2 ZINC000034855706 557477285 /nfs/dbraw/zinc/47/72/85/557477285.db2.gz JEKPJNQTULXLDL-HXUWFJFHSA-N 1 2 422.550 4.295 50 0 HIAALO O=C(NCc1ccncc1)[C@@H]1CCCN(c2[nH+]c3ccccc3n2C2CCCCC2)C1 ZINC000034900835 557481245 /nfs/dbraw/zinc/48/12/45/557481245.db2.gz RKUCNEKOUXDCBV-HXUWFJFHSA-N 1 2 417.557 4.469 50 0 HIAALO CCc1nc2n(n1)C(=O)C([C@@H](c1ccc(OC)cc1)[N@@H+]1CCc3ccccc3C1)S2 ZINC000022855076 557842277 /nfs/dbraw/zinc/84/22/77/557842277.db2.gz INHFSERVCCOIOV-HXUWFJFHSA-N 1 2 420.538 4.215 50 0 HIAALO CCc1nc2n(n1)C(=O)C([C@@H](c1ccc(OC)cc1)[N@H+]1CCc3ccccc3C1)S2 ZINC000022855076 557842281 /nfs/dbraw/zinc/84/22/81/557842281.db2.gz INHFSERVCCOIOV-HXUWFJFHSA-N 1 2 420.538 4.215 50 0 HIAALO O=C(c1ccc(C[NH+]2CCOCC2)cc1)N(Cc1ccccc1)Cc1ccccc1 ZINC000019770415 558279382 /nfs/dbraw/zinc/27/93/82/558279382.db2.gz BUTLEIPISPQQRU-UHFFFAOYSA-N 1 2 400.522 4.361 50 0 HIAALO COc1ccccc1OCCn1c2ccccc2n(CCOc2cccc(C)c2)c1=[NH2+] ZINC000019900358 558305148 /nfs/dbraw/zinc/30/51/48/558305148.db2.gz FLQUBJXLHYBMNR-UHFFFAOYSA-N 1 2 417.509 4.397 50 0 HIAALO CC(C)c1cc(C(C)C)c(S(=O)(=O)NCCC[NH+]2CCOCC2)c(C(C)C)c1 ZINC000019904963 558305620 /nfs/dbraw/zinc/30/56/20/558305620.db2.gz OSPAZQASUNWGRU-UHFFFAOYSA-N 1 2 410.624 4.057 50 0 HIAALO CCS(=O)(=O)c1ncc(C[N@H+](C)[C@H]2CCCc3ccccc32)n1Cc1ccccc1 ZINC000012307287 558375877 /nfs/dbraw/zinc/37/58/77/558375877.db2.gz CMFBHBMFTFIBQY-QHCPKHFHSA-N 1 2 423.582 4.234 50 0 HIAALO CCS(=O)(=O)c1ncc(C[N@@H+](C)[C@H]2CCCc3ccccc32)n1Cc1ccccc1 ZINC000012307287 558375879 /nfs/dbraw/zinc/37/58/79/558375879.db2.gz CMFBHBMFTFIBQY-QHCPKHFHSA-N 1 2 423.582 4.234 50 0 HIAALO O=C(CSc1[nH+]cnc2c1cnn2-c1ccc(Cl)cc1)NC1CCCCC1 ZINC000004341647 558425193 /nfs/dbraw/zinc/42/51/93/558425193.db2.gz YTFZCWLSDYELOD-UHFFFAOYSA-N 1 2 401.923 4.010 50 0 HIAALO Cc1ccc(-n2ncc3c2nc[nH+]c3SCC(=O)Nc2cccc(F)c2)c(C)c1 ZINC000004341746 558425525 /nfs/dbraw/zinc/42/55/25/558425525.db2.gz BTIPTOYKPJFKJT-UHFFFAOYSA-N 1 2 407.474 4.302 50 0 HIAALO COc1ccc(C[N@@H+]2CCC[C@H](C(=O)c3cc(F)ccc3F)C2)c(OC)c1OC ZINC000012584538 558433681 /nfs/dbraw/zinc/43/36/81/558433681.db2.gz CPPQTMYEFABFKB-AWEZNQCLSA-N 1 2 405.441 4.086 50 0 HIAALO COc1ccc(C[N@H+]2CCC[C@H](C(=O)c3cc(F)ccc3F)C2)c(OC)c1OC ZINC000012584538 558433683 /nfs/dbraw/zinc/43/36/83/558433683.db2.gz CPPQTMYEFABFKB-AWEZNQCLSA-N 1 2 405.441 4.086 50 0 HIAALO Cc1[nH+]c2cc(NC(=O)c3ccccc3SCC(N)=O)ccc2n1-c1ccccc1 ZINC000012629398 558441322 /nfs/dbraw/zinc/44/13/22/558441322.db2.gz IVQQRFAOAYJXCC-UHFFFAOYSA-N 1 2 416.506 4.164 50 0 HIAALO CCC[N@H+](CC(=O)N[C@@H](C)c1ccc(F)cc1F)Cc1nnc(-c2cccs2)o1 ZINC000021582553 558441991 /nfs/dbraw/zinc/44/19/91/558441991.db2.gz NLJWOBICCXUBKB-ZDUSSCGKSA-N 1 2 420.485 4.166 50 0 HIAALO CCC[N@@H+](CC(=O)N[C@@H](C)c1ccc(F)cc1F)Cc1nnc(-c2cccs2)o1 ZINC000021582553 558441994 /nfs/dbraw/zinc/44/19/94/558441994.db2.gz NLJWOBICCXUBKB-ZDUSSCGKSA-N 1 2 420.485 4.166 50 0 HIAALO COc1cccc(C[N@H+](C)CC(=O)Nc2nc(-c3ccc(C)cc3)cs2)c1OC ZINC000022010660 558457610 /nfs/dbraw/zinc/45/76/10/558457610.db2.gz NTPAWEOARAVRRK-UHFFFAOYSA-N 1 2 411.527 4.206 50 0 HIAALO COc1cccc(C[N@@H+](C)CC(=O)Nc2nc(-c3ccc(C)cc3)cs2)c1OC ZINC000022010660 558457614 /nfs/dbraw/zinc/45/76/14/558457614.db2.gz NTPAWEOARAVRRK-UHFFFAOYSA-N 1 2 411.527 4.206 50 0 HIAALO Cc1ccc2oc(C(=O)Nc3nc(C[NH+]4C[C@@H](C)C[C@H](C)C4)cs3)cc(=O)c2c1 ZINC000022294787 558476788 /nfs/dbraw/zinc/47/67/88/558476788.db2.gz BMPKIOQRQXROAX-GJZGRUSLSA-N 1 2 411.527 4.288 50 0 HIAALO CN(C)S(=O)(=O)c1cccc(C[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2)c1 ZINC000022358502 558483039 /nfs/dbraw/zinc/48/30/39/558483039.db2.gz NVXBITAOVSFUJG-QFIPXVFZSA-N 1 2 412.580 4.146 50 0 HIAALO CN(C)S(=O)(=O)c1cccc(C[N@H+]2CCc3sccc3[C@@H]2c2ccccc2)c1 ZINC000022358502 558483042 /nfs/dbraw/zinc/48/30/42/558483042.db2.gz NVXBITAOVSFUJG-QFIPXVFZSA-N 1 2 412.580 4.146 50 0 HIAALO O=C(C[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1)Nc1cccc(Cl)c1Cl ZINC000012981783 558493626 /nfs/dbraw/zinc/49/36/26/558493626.db2.gz CTEOKXAVGDTWLE-AWEZNQCLSA-N 1 2 406.313 4.283 50 0 HIAALO O=C(C[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1)Nc1cccc(Cl)c1Cl ZINC000012981783 558493628 /nfs/dbraw/zinc/49/36/28/558493628.db2.gz CTEOKXAVGDTWLE-AWEZNQCLSA-N 1 2 406.313 4.283 50 0 HIAALO C[C@H]1CC(=O)Nc2ccccc2N1C(=O)C[N@H+](Cc1ccco1)Cc1cccs1 ZINC000012989861 558496387 /nfs/dbraw/zinc/49/63/87/558496387.db2.gz UJMFEVVLCREMEA-INIZCTEOSA-N 1 2 409.511 4.107 50 0 HIAALO C[C@H]1CC(=O)Nc2ccccc2N1C(=O)C[N@@H+](Cc1ccco1)Cc1cccs1 ZINC000012989861 558496390 /nfs/dbraw/zinc/49/63/90/558496390.db2.gz UJMFEVVLCREMEA-INIZCTEOSA-N 1 2 409.511 4.107 50 0 HIAALO C[C@@H](c1nnc(SCC(=O)N2CCCC[C@@H]2C)n1-c1ccc(Cl)cc1)[NH+](C)C ZINC000022612577 558502259 /nfs/dbraw/zinc/50/22/59/558502259.db2.gz HPCQERUUNKUMKV-GJZGRUSLSA-N 1 2 421.998 4.036 50 0 HIAALO O[C@@H](COc1ccc2oc3ccccc3c2c1)C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000022860292 558517625 /nfs/dbraw/zinc/51/76/25/558517625.db2.gz WINFWSHMWZKUIE-OAQYLSRUSA-N 1 2 416.521 4.144 50 0 HIAALO CCc1[nH+]c(SCC(=O)NCc2cccs2)nc(N)c1-c1ccc(Cl)cc1 ZINC000022978480 558528996 /nfs/dbraw/zinc/52/89/96/558528996.db2.gz OYXZNZPWYFYQGG-UHFFFAOYSA-N 1 2 418.975 4.412 50 0 HIAALO O=C(C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)c1c[nH]c2ccccc12 ZINC000023182810 558540781 /nfs/dbraw/zinc/54/07/81/558540781.db2.gz ZAZXFHAKRFVQPK-UHFFFAOYSA-N 1 2 423.516 4.284 50 0 HIAALO COc1ccc2c(c1)[C@]1(C(=O)N2)[C@H](C(=O)c2ccccc2)[C@@H](c2ccccc2)C[N@@H+]1C ZINC000013591734 558546167 /nfs/dbraw/zinc/54/61/67/558546167.db2.gz PIOSTILJFAGANT-UVWWXKGLSA-N 1 2 412.489 4.071 50 0 HIAALO COc1ccc2c(c1)[C@]1(C(=O)N2)[C@H](C(=O)c2ccccc2)[C@@H](c2ccccc2)C[N@H+]1C ZINC000013591734 558546170 /nfs/dbraw/zinc/54/61/70/558546170.db2.gz PIOSTILJFAGANT-UVWWXKGLSA-N 1 2 412.489 4.071 50 0 HIAALO FC(F)(F)c1ccc(Cl)c(NC(=S)N2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000013690077 558572111 /nfs/dbraw/zinc/57/21/11/558572111.db2.gz HVDCURDQSUGLQU-UHFFFAOYSA-N 1 2 414.884 4.268 50 0 HIAALO O=C(CCc1ccc(-c2ccccc2F)o1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000023866959 558578709 /nfs/dbraw/zinc/57/87/09/558578709.db2.gz CAYWITHLSQSWTQ-UHFFFAOYSA-N 1 2 422.500 4.167 50 0 HIAALO COc1cc2c(cc1OC)[C@@H](c1ccccc1)[N@H+](Cn1c3ccccc3oc1=O)CC2 ZINC000023936584 558581842 /nfs/dbraw/zinc/58/18/42/558581842.db2.gz VPQXRHXVKUKBIC-XMMPIXPASA-N 1 2 416.477 4.217 50 0 HIAALO COc1cc2c(cc1OC)[C@@H](c1ccccc1)[N@@H+](Cn1c3ccccc3oc1=O)CC2 ZINC000023936584 558581844 /nfs/dbraw/zinc/58/18/44/558581844.db2.gz VPQXRHXVKUKBIC-XMMPIXPASA-N 1 2 416.477 4.217 50 0 HIAALO CC[C@H](c1ccccc1)[C@](O)(c1ccco1)c1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000024717486 558608609 /nfs/dbraw/zinc/60/86/09/558608609.db2.gz IZVIFAVBUUWIHF-RSXGOPAZSA-N 1 2 421.537 4.420 50 0 HIAALO COc1ccc(CSc2nnc([C@H](C)[NH+](C)C)n2-c2ccc(F)cc2)cc1F ZINC000004500408 558612663 /nfs/dbraw/zinc/61/26/63/558612663.db2.gz MVBNIHJHWAEJOD-ZDUSSCGKSA-N 1 2 404.486 4.469 50 0 HIAALO O=C(c1cc2cc(Br)ccc2[nH]1)N1CC[NH+](Cc2ccccc2F)CC1 ZINC000024778288 558612893 /nfs/dbraw/zinc/61/28/93/558612893.db2.gz GDNRSPBGBKVRBP-UHFFFAOYSA-N 1 2 416.294 4.028 50 0 HIAALO COc1ccc(C(=O)C2CC[NH+](CN3c4cccc5cccc(c45)C3=O)CC2)cc1 ZINC000014186785 558631215 /nfs/dbraw/zinc/63/12/15/558631215.db2.gz HEOULWQSKZFECJ-UHFFFAOYSA-N 1 2 400.478 4.361 50 0 HIAALO COc1ccc([C@@H]2C[NH2+][C@@]3(c4ccccc4N(C)C3=O)c3[nH]c4ccccc4c32)cc1 ZINC000025514151 558642313 /nfs/dbraw/zinc/64/23/13/558642313.db2.gz ZNKITLCLKOQVOO-SIBVEZHUSA-N 1 2 409.489 4.132 50 0 HIAALO C[N@H+](CN1C(=O)NC2(CCCCCC2)C1=O)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000014238827 558642809 /nfs/dbraw/zinc/64/28/09/558642809.db2.gz SKEDAISGZBGMIE-NRFANRHFSA-N 1 2 409.505 4.449 50 0 HIAALO C[N@@H+](CN1C(=O)NC2(CCCCCC2)C1=O)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000014238827 558642812 /nfs/dbraw/zinc/64/28/12/558642812.db2.gz SKEDAISGZBGMIE-NRFANRHFSA-N 1 2 409.505 4.449 50 0 HIAALO C[C@@H]1CCc2c(sc(NC(=O)C[NH+]3CCCC3)c2C(=O)Nc2ccccc2F)C1 ZINC000004554396 558721935 /nfs/dbraw/zinc/72/19/35/558721935.db2.gz KOBAIZZGKCPTJG-CQSZACIVSA-N 1 2 415.534 4.299 50 0 HIAALO Cc1ccc(-c2nc(CN3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)co2)c(C)c1 ZINC000029922696 558724020 /nfs/dbraw/zinc/72/40/20/558724020.db2.gz WXYOEFANOHIHMN-UHFFFAOYSA-N 1 2 405.498 4.005 50 0 HIAALO O=C(CCc1c[nH]c2ccccc12)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000015767501 558751822 /nfs/dbraw/zinc/75/18/22/558751822.db2.gz PMXAQCJBZCDRGT-UHFFFAOYSA-N 1 2 415.459 4.464 50 0 HIAALO Cc1cccc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)n1 ZINC000072308493 558769267 /nfs/dbraw/zinc/76/92/67/558769267.db2.gz DDBOKUQZBIPMSG-MRXNPFEDSA-N 1 2 408.527 4.163 50 0 HIAALO Cc1cccc(C[N@H+](C)[C@H](C)C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)n1 ZINC000072308493 558769271 /nfs/dbraw/zinc/76/92/71/558769271.db2.gz DDBOKUQZBIPMSG-MRXNPFEDSA-N 1 2 408.527 4.163 50 0 HIAALO O=C(c1cccc(OC(F)(F)C(F)F)c1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000033693220 558770707 /nfs/dbraw/zinc/77/07/07/558770707.db2.gz WQFHWFXGKGHOSL-VMPITWQZSA-N 1 2 422.422 4.395 50 0 HIAALO CC1CCN(c2ccc(CNC(=O)N(C)Cc3ccc(Br)o3)c[nH+]2)CC1 ZINC000071927801 558770774 /nfs/dbraw/zinc/77/07/74/558770774.db2.gz UJRGOKIIQQNBDV-UHFFFAOYSA-N 1 2 421.339 4.015 50 0 HIAALO COC(=O)c1c(C)[nH]c(C(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2cccs2)c1C ZINC000034867702 558785884 /nfs/dbraw/zinc/78/58/84/558785884.db2.gz LNFGPNFLJMQEKI-HXUWFJFHSA-N 1 2 414.552 4.372 50 0 HIAALO COC(=O)c1c(C)[nH]c(C(=O)C[N@H+]2CCc3sccc3[C@@H]2c2cccs2)c1C ZINC000034867702 558785885 /nfs/dbraw/zinc/78/58/85/558785885.db2.gz LNFGPNFLJMQEKI-HXUWFJFHSA-N 1 2 414.552 4.372 50 0 HIAALO CCN1CC[NH+]([C@H](c2cccs2)[C@H](C)NC(=S)Nc2cc(C)ccc2C)CC1 ZINC000022941999 558794937 /nfs/dbraw/zinc/79/49/37/558794937.db2.gz DIEPRJNKJIPQKC-RXVVDRJESA-N 1 2 416.660 4.419 50 0 HIAALO C[N@@H+](CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C[C@H]1COc2ccccc2O1 ZINC000016628830 558797165 /nfs/dbraw/zinc/79/71/65/558797165.db2.gz DEEOEOBSRVNZGQ-ZDUSSCGKSA-N 1 2 414.811 4.069 50 0 HIAALO C[N@H+](CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C[C@H]1COc2ccccc2O1 ZINC000016628830 558797167 /nfs/dbraw/zinc/79/71/67/558797167.db2.gz DEEOEOBSRVNZGQ-ZDUSSCGKSA-N 1 2 414.811 4.069 50 0 HIAALO CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc([NH+]3CCC(C)CC3)cc2)cc1Cl ZINC000072312128 558799798 /nfs/dbraw/zinc/79/97/98/558799798.db2.gz PIHCTWSJEOEIAA-UHFFFAOYSA-N 1 2 421.950 4.336 50 0 HIAALO CCN(CC)c1nc2sc(C(=O)OCc3ccc(-n4cc[nH+]c4)nc3)cc2s1 ZINC000072314113 558841805 /nfs/dbraw/zinc/84/18/05/558841805.db2.gz KOHOHDQANCPGRD-UHFFFAOYSA-N 1 2 413.528 4.142 50 0 HIAALO Cc1ccc(C)n1-c1ccc[nH+]c1N1CCC(C(=O)NCCCc2ccccc2)CC1 ZINC000033034482 558858438 /nfs/dbraw/zinc/85/84/38/558858438.db2.gz DXZIKCXHOVSOMB-UHFFFAOYSA-N 1 2 416.569 4.455 50 0 HIAALO Cc1ccc(C2(c3noc(C[N@@H+](C)Cc4ccc5nonc5c4)n3)CCCC2)cc1 ZINC000055245296 558877316 /nfs/dbraw/zinc/87/73/16/558877316.db2.gz IVFPTZWJTWUNKH-UHFFFAOYSA-N 1 2 403.486 4.406 50 0 HIAALO Cc1ccc(C2(c3noc(C[N@H+](C)Cc4ccc5nonc5c4)n3)CCCC2)cc1 ZINC000055245296 558877318 /nfs/dbraw/zinc/87/73/18/558877318.db2.gz IVFPTZWJTWUNKH-UHFFFAOYSA-N 1 2 403.486 4.406 50 0 HIAALO OCCN1CC[NH+]([C@H]2Cc3cc(Cl)c(Cl)cc3Sc3ccccc32)CC1 ZINC000071404351 558897404 /nfs/dbraw/zinc/89/74/04/558897404.db2.gz AZKNQSXHNRVDMX-SFHVURJKSA-N 1 2 409.382 4.352 50 0 HIAALO CC(C)CCNC(=O)c1ccc2cc[nH+]c(N3CCN(c4ccccc4F)CC3)c2c1 ZINC000065002368 558968848 /nfs/dbraw/zinc/96/88/48/558968848.db2.gz JEJDIXDOECACIE-UHFFFAOYSA-N 1 2 420.532 4.476 50 0 HIAALO O=C(C1CCCCC1)N(CCC[NH+]1CCOCC1)c1nc2c(cccc2F)s1 ZINC000022997457 558982471 /nfs/dbraw/zinc/98/24/71/558982471.db2.gz MUIJJPATFNSGMV-UHFFFAOYSA-N 1 2 405.539 4.071 50 0 HIAALO C[N@@H+]1C[C@H](c2ccc(F)cc2)[C@H](C(=O)c2cccs2)[C@@]12C(=O)Nc1ccccc12 ZINC000043732546 558990620 /nfs/dbraw/zinc/99/06/20/558990620.db2.gz UQQFASCNTIPMOW-LQNXUBFPSA-N 1 2 406.482 4.263 50 0 HIAALO C[N@H+]1C[C@H](c2ccc(F)cc2)[C@H](C(=O)c2cccs2)[C@@]12C(=O)Nc1ccccc12 ZINC000043732546 558990622 /nfs/dbraw/zinc/99/06/22/558990622.db2.gz UQQFASCNTIPMOW-LQNXUBFPSA-N 1 2 406.482 4.263 50 0 HIAALO Cc1cc([NH2+][C@H](C)CCN2C(=O)c3ccccc3C2=O)ccc1N1CCSCC1 ZINC000097162439 558998130 /nfs/dbraw/zinc/99/81/30/558998130.db2.gz QZFMSLAOFMKYCH-QGZVFWFLSA-N 1 2 409.555 4.035 50 0 HIAALO CN(C)C(=O)c1ccc(CNc2[nH+]c3ccccc3n2CCCc2ccccc2)[nH]1 ZINC000097162773 558998169 /nfs/dbraw/zinc/99/81/69/558998169.db2.gz BZIUCEPGGLPIOY-UHFFFAOYSA-N 1 2 401.514 4.311 50 0 HIAALO Cc1c(Cl)cccc1NC(=S)N[C@@H](C)[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000023182271 559031924 /nfs/dbraw/zinc/03/19/24/559031924.db2.gz KYVPUCRHAMYDNV-KSSFIOAISA-N 1 2 410.008 4.458 50 0 HIAALO Cc1nc(Nc2ccc(NC(=O)Nc3ccccc3F)cc2)cc(N2CCOCC2)[nH+]1 ZINC000033318597 559056096 /nfs/dbraw/zinc/05/60/96/559056096.db2.gz AHTMMTQJBCGGEB-UHFFFAOYSA-N 1 2 422.464 4.148 50 0 HIAALO COc1ccc([C@@H]2C(C(=O)N3CCCCC3)=C(C)Nc3[nH+]c4ccccc4n32)cc1 ZINC000004786908 559063933 /nfs/dbraw/zinc/06/39/33/559063933.db2.gz RTDGSQQVSUMGIH-JOCHJYFZSA-N 1 2 402.498 4.346 50 0 HIAALO C[C@H](NC(=O)[C@H](C)Sc1[nH+]cnc2c1cnn2C)c1ccc(Cl)cc1Cl ZINC000011682171 559176999 /nfs/dbraw/zinc/17/69/99/559176999.db2.gz FGEGGAVPPUPFAY-UWVGGRQHSA-N 1 2 410.330 4.028 50 0 HIAALO CCN(CCCNC(=O)C1CCN(c2[nH]c3ccccc3[nH+]2)CC1)c1cccc(C)c1 ZINC000004911505 559202824 /nfs/dbraw/zinc/20/28/24/559202824.db2.gz AJKBFWFESRQQGQ-UHFFFAOYSA-N 1 2 419.573 4.121 50 0 HIAALO O=C(Nc1ccc(-c2cc[nH]n2)cc1)[C@@H]1CCC[N@@H+](Cc2c(F)ccc(F)c2F)C1 ZINC000011935824 559268609 /nfs/dbraw/zinc/26/86/09/559268609.db2.gz UNAQTRYZFHWIFL-OAHLLOKOSA-N 1 2 414.431 4.345 50 0 HIAALO O=C(Nc1ccc(-c2cc[nH]n2)cc1)[C@@H]1CCC[N@H+](Cc2c(F)ccc(F)c2F)C1 ZINC000011935824 559268611 /nfs/dbraw/zinc/26/86/11/559268611.db2.gz UNAQTRYZFHWIFL-OAHLLOKOSA-N 1 2 414.431 4.345 50 0 HIAALO CC[C@@H](NC(=O)c1csc2c1CC[N@H+](Cc1c(C)noc1C)C2)c1cccnc1 ZINC000426487589 559271778 /nfs/dbraw/zinc/27/17/78/559271778.db2.gz UAMJERCPUWSNBA-HXUWFJFHSA-N 1 2 410.543 4.187 50 0 HIAALO CC[C@@H](NC(=O)c1csc2c1CC[N@@H+](Cc1c(C)noc1C)C2)c1cccnc1 ZINC000426487589 559271779 /nfs/dbraw/zinc/27/17/79/559271779.db2.gz UAMJERCPUWSNBA-HXUWFJFHSA-N 1 2 410.543 4.187 50 0 HIAALO Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)NCCSC(C)(C)C)csc2C1 ZINC000426490609 559271918 /nfs/dbraw/zinc/27/19/18/559271918.db2.gz NMCQLMMUKWLHJO-UHFFFAOYSA-N 1 2 407.605 4.173 50 0 HIAALO Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)NCCSC(C)(C)C)csc2C1 ZINC000426490609 559271920 /nfs/dbraw/zinc/27/19/20/559271920.db2.gz NMCQLMMUKWLHJO-UHFFFAOYSA-N 1 2 407.605 4.173 50 0 HIAALO C[C@H]1c2cc3c(cc2CC[N@H+]1CC(=O)Nc1cccc(C(F)(F)F)c1)OCCCO3 ZINC000005423556 560584890 /nfs/dbraw/zinc/58/48/90/560584890.db2.gz DRTFRGUUUFJBPW-AWEZNQCLSA-N 1 2 420.431 4.425 50 0 HIAALO C[C@H]1c2cc3c(cc2CC[N@@H+]1CC(=O)Nc1cccc(C(F)(F)F)c1)OCCCO3 ZINC000005423556 560584891 /nfs/dbraw/zinc/58/48/91/560584891.db2.gz DRTFRGUUUFJBPW-AWEZNQCLSA-N 1 2 420.431 4.425 50 0 HIAALO CCOc1ccccc1NC(=O)CSc1[nH+]cnc2c1cnn2Cc1ccccc1 ZINC000005478517 560595254 /nfs/dbraw/zinc/59/52/54/560595254.db2.gz RLQOIFOPUUFEFI-UHFFFAOYSA-N 1 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50 0 HIAALO COc1cc(OC)cc([C@H](NC(=O)c2sc3ccccc3c2C)c2[nH+]ccn2C)c1 ZINC000025160430 568757272 /nfs/dbraw/zinc/75/72/72/568757272.db2.gz XVXJUNHXFMEZNY-FQEVSTJZSA-N 1 2 421.522 4.480 50 0 HIAALO CCN1CC[NH+]([C@H](c2cccs2)[C@H](C)NC(=S)Nc2cccc(Cl)c2)CC1 ZINC000022460575 568768424 /nfs/dbraw/zinc/76/84/24/568768424.db2.gz OGKMVRDUDFZFSR-KXBFYZLASA-N 1 2 423.051 4.455 50 0 HIAALO O=S(=O)(NC1CC[NH+](Cc2ccccc2F)CC1)c1c(Cl)cccc1Cl ZINC000055643138 568781313 /nfs/dbraw/zinc/78/13/13/568781313.db2.gz JGXIXUYSCYBAKI-UHFFFAOYSA-N 1 2 417.333 4.075 50 0 HIAALO O=C(C[N@H+](Cc1ccco1)Cc1cccs1)NCc1ccc(OC(F)F)cc1 ZINC000029069118 568817823 /nfs/dbraw/zinc/81/78/23/568817823.db2.gz NGDHMKVVQFWDBT-UHFFFAOYSA-N 1 2 406.454 4.261 50 0 HIAALO O=C(C[N@@H+](Cc1ccco1)Cc1cccs1)NCc1ccc(OC(F)F)cc1 ZINC000029069118 568817825 /nfs/dbraw/zinc/81/78/25/568817825.db2.gz NGDHMKVVQFWDBT-UHFFFAOYSA-N 1 2 406.454 4.261 50 0 HIAALO O=c1cc(C[NH+]2CCN(c3ccccc3)CC2)occ1OCc1ccc(Cl)cc1 ZINC000056949961 568822196 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4.310 50 0 HIAALO C[C@H](c1nnc(SCc2cn3ccccc3n2)n1-c1ccc(Cl)cc1)[NH+](C)C ZINC000012551081 568853107 /nfs/dbraw/zinc/85/31/07/568853107.db2.gz QSFYKTCUGIALDA-CQSZACIVSA-N 1 2 412.950 4.483 50 0 HIAALO COc1cc(C(=O)OCc2cn3cccc(C)c3[nH+]2)ccc1OCc1c(C)noc1C ZINC000012551223 568853134 /nfs/dbraw/zinc/85/31/34/568853134.db2.gz FTCXXJFNGAFZEY-UHFFFAOYSA-N 1 2 421.453 4.192 50 0 HIAALO O=c1[nH]c(C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCCO3)nc2cc(Cl)ccc12 ZINC000012567518 568860579 /nfs/dbraw/zinc/86/05/79/568860579.db2.gz LCDKTLMKCYCEDM-GOSISDBHSA-N 1 2 411.889 4.487 50 0 HIAALO O=c1[nH]c(C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCCO3)nc2cc(Cl)ccc12 ZINC000012567518 568860581 /nfs/dbraw/zinc/86/05/81/568860581.db2.gz LCDKTLMKCYCEDM-GOSISDBHSA-N 1 2 411.889 4.487 50 0 HIAALO Cn1cc[nH+]c1[C@@H](NC(=O)CSCc1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000012628021 568881784 /nfs/dbraw/zinc/88/17/84/568881784.db2.gz YXRFFBFKFBILAT-IBGZPJMESA-N 1 2 403.910 4.352 50 0 HIAALO Cc1ccc(Cl)cc1N1CC[NH+](CCNC(=O)c2csc3c2CCCC3)CC1 ZINC000058065032 568882096 /nfs/dbraw/zinc/88/20/96/568882096.db2.gz YFEFWHVALCTEBA-UHFFFAOYSA-N 1 2 418.006 4.141 50 0 HIAALO C[C@H](C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000012684614 568908278 /nfs/dbraw/zinc/90/82/78/568908278.db2.gz IJKNVGLPKQGGDS-BRWVUGGUSA-N 1 2 409.555 4.323 50 0 HIAALO COc1cc(OC)cc([C@H](NC(=O)c2cc3ccccc3s2)c2[nH+]ccn2C)c1 ZINC000012736522 568925468 /nfs/dbraw/zinc/92/54/68/568925468.db2.gz JMEFPTCDENDZAG-FQEVSTJZSA-N 1 2 407.495 4.171 50 0 HIAALO O=C(Nc1ccc(NC(=O)C2CC2)cc1)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000084581808 568951234 /nfs/dbraw/zinc/95/12/34/568951234.db2.gz PPEQLBSKCCWGGM-FCHUYYIVSA-N 1 2 415.497 4.282 50 0 HIAALO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)N[C@@H](C)c3cc(C)ccc3OC)c2C1 ZINC000012783144 568958621 /nfs/dbraw/zinc/95/86/21/568958621.db2.gz JZKOXDPIINGMKF-KRWDZBQOSA-N 1 2 403.526 4.421 50 0 HIAALO CC[N@H+]1CCc2nc3ccccc3c(C(=O)N[C@@H](C)c3cc(C)ccc3OC)c2C1 ZINC000012783144 568958622 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O=C(NC[C@@H](c1cccnc1)[N@H+]1CCc2ccccc2C1)c1c(F)cccc1Cl ZINC000015882574 569019136 /nfs/dbraw/zinc/01/91/36/569019136.db2.gz MOGILUHEPXBPPC-NRFANRHFSA-N 1 2 409.892 4.404 50 0 HIAALO O=C(C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2)Nc1ccc(Cl)cc1F ZINC000012916827 569022363 /nfs/dbraw/zinc/02/23/63/569022363.db2.gz DGDMGZHROFQFIB-SFHVURJKSA-N 1 2 404.869 4.416 50 0 HIAALO O=C(C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2)Nc1ccc(Cl)cc1F ZINC000012916827 569022364 /nfs/dbraw/zinc/02/23/64/569022364.db2.gz DGDMGZHROFQFIB-SFHVURJKSA-N 1 2 404.869 4.416 50 0 HIAALO C[C@@H](C(=O)NC1CCCCC1)[N@H+](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000012915324 569022471 /nfs/dbraw/zinc/02/24/71/569022471.db2.gz HOFNKPYHXGNQST-LBPRGKRZSA-N 1 2 419.875 4.067 50 0 HIAALO C[C@@H](C(=O)NC1CCCCC1)[N@@H+](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000012915324 569022472 /nfs/dbraw/zinc/02/24/72/569022472.db2.gz HOFNKPYHXGNQST-LBPRGKRZSA-N 1 2 419.875 4.067 50 0 HIAALO CCOc1ccc(C(=O)N[C@H](c2[nH+]ccn2C)c2ccc(Cl)cc2)cc1OCC ZINC000016261804 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HIAALO CC(=O)[C@H](Cc1ccccc1)NC(=O)C[N@H+]1CCc2sccc2[C@@H]1c1ccccc1 ZINC000035362638 557521281 /nfs/dbraw/zinc/52/12/81/557521281.db2.gz NDWVBXVQXBFCRA-DHLKQENFSA-N 1 2 418.562 4.012 50 0 HIAALO COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H](C(=O)c2ccccc2)[C@@H](c2ccccc2)C[N@@H+]1C ZINC000035375631 557531758 /nfs/dbraw/zinc/53/17/58/557531758.db2.gz PIOSTILJFAGANT-ROSOWXQZSA-N 1 2 412.489 4.071 50 0 HIAALO COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H](C(=O)c2ccccc2)[C@@H](c2ccccc2)C[N@H+]1C ZINC000035375631 557531759 /nfs/dbraw/zinc/53/17/59/557531759.db2.gz PIOSTILJFAGANT-ROSOWXQZSA-N 1 2 412.489 4.071 50 0 HIAALO CCOc1ccc(Nc2nc(NCCC3=CCCCC3)[nH+]c(N3CCOCC3)n2)cc1 ZINC000003014452 557779261 /nfs/dbraw/zinc/77/92/61/557779261.db2.gz NDGIWMHCZXFGAV-UHFFFAOYSA-N 1 2 424.549 4.153 50 0 HIAALO COc1ccc(C[NH+]2CCN([C@@H](C)c3nnc(-c4ccc(C)cc4)o3)CC2)cc1F ZINC000022788396 557824348 /nfs/dbraw/zinc/82/43/48/557824348.db2.gz RHCHTEYOYQGXFG-KRWDZBQOSA-N 1 2 410.493 4.072 50 0 HIAALO COc1ccc(CN2CC[NH+]([C@@H](C)c3nnc(-c4ccc(C)cc4)o3)CC2)cc1F ZINC000022788396 557824349 /nfs/dbraw/zinc/82/43/49/557824349.db2.gz RHCHTEYOYQGXFG-KRWDZBQOSA-N 1 2 410.493 4.072 50 0 HIAALO CCc1nc2n(n1)C(=O)C([C@H](c1ccc(Br)cc1)[NH+]1CCCCC1)S2 ZINC000022853045 557840006 /nfs/dbraw/zinc/84/00/06/557840006.db2.gz JDWCFYFYEDCZKZ-HNNXBMFYSA-N 1 2 421.364 4.397 50 0 HIAALO OC1(c2cccc(C(F)(F)F)c2)CC[NH+](Cc2nc(-c3cccs3)no2)CC1 ZINC000011770493 558274249 /nfs/dbraw/zinc/27/42/49/558274249.db2.gz OKFCXXCZURUBJT-UHFFFAOYSA-N 1 2 409.433 4.301 50 0 HIAALO [NH2+]=c1n(Cc2ccc(Cl)cc2)c2ccccc2n1C[C@@H](O)COc1ccccc1 ZINC000019757684 558275000 /nfs/dbraw/zinc/27/50/00/558275000.db2.gz GMUKVMJLLUJIIE-LJQANCHMSA-N 1 2 407.901 4.064 50 0 HIAALO COc1ccccc1OCCn1c2ccccc2n(CCOc2ccc(C)cc2)c1=[NH2+] ZINC000019900356 558305074 /nfs/dbraw/zinc/30/50/74/558305074.db2.gz NERYTFQSHWVAKQ-UHFFFAOYSA-N 1 2 417.509 4.397 50 0 HIAALO C[C@H](CNC(=O)C1CCCCC1)Oc1cccc(C[N@H+](C)Cc2cscn2)c1 ZINC000012150607 558339033 /nfs/dbraw/zinc/33/90/33/558339033.db2.gz DYEOCRKUNRDJKH-QGZVFWFLSA-N 1 2 401.576 4.239 50 0 HIAALO C[C@H](CNC(=O)C1CCCCC1)Oc1cccc(C[N@@H+](C)Cc2cscn2)c1 ZINC000012150607 558339036 /nfs/dbraw/zinc/33/90/36/558339036.db2.gz DYEOCRKUNRDJKH-QGZVFWFLSA-N 1 2 401.576 4.239 50 0 HIAALO Cc1cccn2c(C[N@@H+]3CCCC[C@@H]3c3ccccn3)c(C(=O)N3CCCCC3)nc12 ZINC000020232469 558350146 /nfs/dbraw/zinc/35/01/46/558350146.db2.gz CSHLIUDCGLBWKB-OAQYLSRUSA-N 1 2 417.557 4.391 50 0 HIAALO Cc1cccn2c(C[N@H+]3CCCC[C@@H]3c3ccccn3)c(C(=O)N3CCCCC3)nc12 ZINC000020232469 558350148 /nfs/dbraw/zinc/35/01/48/558350148.db2.gz CSHLIUDCGLBWKB-OAQYLSRUSA-N 1 2 417.557 4.391 50 0 HIAALO CC(C)c1nc2sc3c(ncnc3SCC[NH+]3CCOCC3)c2c2c1CCC2 ZINC000020442307 558363763 /nfs/dbraw/zinc/36/37/63/558363763.db2.gz ZONOTFQYDMZIAX-UHFFFAOYSA-N 1 2 414.600 4.276 50 0 HIAALO CC(C)N(Cc1[nH+]ccn1C)C(=O)c1ccc2oc(CCc3ccccc3)nc2c1 ZINC000012317058 558380531 /nfs/dbraw/zinc/38/05/31/558380531.db2.gz WSYJXCWQIUPWCM-UHFFFAOYSA-N 1 2 402.498 4.397 50 0 HIAALO COc1cc(C)c(-c2nc(C[N@@H+]3CCCN(C(=O)c4ccco4)CC3)c(C)o2)cc1C ZINC000012478173 558423223 /nfs/dbraw/zinc/42/32/23/558423223.db2.gz HAQTVVZKVUDIHV-UHFFFAOYSA-N 1 2 423.513 4.217 50 0 HIAALO COc1cc(C)c(-c2nc(C[N@H+]3CCCN(C(=O)c4ccco4)CC3)c(C)o2)cc1C ZINC000012478173 558423225 /nfs/dbraw/zinc/42/32/25/558423225.db2.gz HAQTVVZKVUDIHV-UHFFFAOYSA-N 1 2 423.513 4.217 50 0 HIAALO COc1ccc(C(=O)CSc2[nH+]cnc3c2cnn3-c2cccc(Cl)c2)cc1 ZINC000004341715 558425465 /nfs/dbraw/zinc/42/54/65/558425465.db2.gz ZAOIQIGDQVKJKV-UHFFFAOYSA-N 1 2 410.886 4.453 50 0 HIAALO O=C1C[C@@H](/C=C/c2ccccc2)Cc2nc(N3CC[NH+](Cc4ccccc4)CC3)ncc21 ZINC000021122867 558431320 /nfs/dbraw/zinc/43/13/20/558431320.db2.gz KKOHNXPOOVCNSD-RGPPVUSESA-N 1 2 424.548 4.257 50 0 HIAALO Cc1ccc(Nc2cc(N3CCN(C(=O)Nc4ccc(F)cc4)CC3)[nH+]c(C)n2)cc1 ZINC000021795318 558449559 /nfs/dbraw/zinc/44/95/59/558449559.db2.gz MJKXJUJAJBVRLU-UHFFFAOYSA-N 1 2 420.492 4.330 50 0 HIAALO Cc1cc(N2CCN(C(=O)Cc3ccc(Cl)c(Cl)c3)CC2)nc(C(C)C)[nH+]1 ZINC000012791237 558465761 /nfs/dbraw/zinc/46/57/61/558465761.db2.gz GZQQPMJZEHNQQQ-UHFFFAOYSA-N 1 2 407.345 4.107 50 0 HIAALO Cc1cc(S[C@H](C)C(=O)N2CC[NH+](Cc3ccccc3)CC2)nc2ccccc12 ZINC000012970631 558488800 /nfs/dbraw/zinc/48/88/00/558488800.db2.gz IJVOFPSLZOKUTQ-LJQANCHMSA-N 1 2 405.567 4.368 50 0 HIAALO C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)C[N@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000012992207 558496792 /nfs/dbraw/zinc/49/67/92/558496792.db2.gz NTHUWWPTPWTDOT-CYBMUJFWSA-N 1 2 406.313 4.189 50 0 HIAALO C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)C[N@@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000012992207 558496795 /nfs/dbraw/zinc/49/67/95/558496795.db2.gz NTHUWWPTPWTDOT-CYBMUJFWSA-N 1 2 406.313 4.189 50 0 HIAALO CCCc1ccc([C@@H](C)NC(=O)C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1 ZINC000022751844 558507299 /nfs/dbraw/zinc/50/72/99/558507299.db2.gz WMNIVWUYZMUEOZ-LJQANCHMSA-N 1 2 413.993 4.288 50 0 HIAALO CCCc1ccc([C@@H](C)NC(=O)CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000022751844 558507301 /nfs/dbraw/zinc/50/73/01/558507301.db2.gz WMNIVWUYZMUEOZ-LJQANCHMSA-N 1 2 413.993 4.288 50 0 HIAALO COc1ccc(OCC[NH+]2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000022925372 558522846 /nfs/dbraw/zinc/52/28/46/558522846.db2.gz DUCIWUDRKWGUIR-UHFFFAOYSA-N 1 2 402.538 4.481 50 0 HIAALO Cc1cc(C)cc(CSc2nc3ccccc3c(=O)n2CCC[NH+]2CCOCC2)c1 ZINC000022955511 558527641 /nfs/dbraw/zinc/52/76/41/558527641.db2.gz DNIJRDLYEHRAPP-UHFFFAOYSA-N 1 2 423.582 4.028 50 0 HIAALO O=C(N[C@@H](C[NH+]1CCOCC1)c1ccccc1)c1ccc(SC(F)(F)F)cc1 ZINC000023081036 558533839 /nfs/dbraw/zinc/53/38/39/558533839.db2.gz OPIVHWHQRFDUCW-SFHVURJKSA-N 1 2 410.461 4.102 50 0 HIAALO COc1ccc2c(c1)CCc1cc(C(=O)Nc3nc4c(s3)C[N@H+](C)CC4)sc1-2 ZINC000023607341 558563475 /nfs/dbraw/zinc/56/34/75/558563475.db2.gz JDTRLPKKGOMMCE-UHFFFAOYSA-N 1 2 411.552 4.219 50 0 HIAALO COc1ccc2c(c1)CCc1cc(C(=O)Nc3nc4c(s3)C[N@@H+](C)CC4)sc1-2 ZINC000023607341 558563477 /nfs/dbraw/zinc/56/34/77/558563477.db2.gz JDTRLPKKGOMMCE-UHFFFAOYSA-N 1 2 411.552 4.219 50 0 HIAALO CCc1ccc(-c2noc(C[NH+]3CCC(C(=O)c4ccc(OC)cc4)CC3)n2)cc1 ZINC000014084655 558618697 /nfs/dbraw/zinc/61/86/97/558618697.db2.gz IFYCJYHLHGQRRG-UHFFFAOYSA-N 1 2 405.498 4.403 50 0 HIAALO CN(C)C(=O)c1cccc(NC(=O)C[N@@H+]2CCc3sccc3[C@H]2c2ccccc2)c1 ZINC000024946292 558621940 /nfs/dbraw/zinc/62/19/40/558621940.db2.gz XBKYMBMZATVQFX-HSZRJFAPSA-N 1 2 419.550 4.036 50 0 HIAALO CN(C)C(=O)c1cccc(NC(=O)C[N@H+]2CCc3sccc3[C@H]2c2ccccc2)c1 ZINC000024946292 558621942 /nfs/dbraw/zinc/62/19/42/558621942.db2.gz XBKYMBMZATVQFX-HSZRJFAPSA-N 1 2 419.550 4.036 50 0 HIAALO C[N@@H+]1CCc2nc(NC(=O)C3=NN(c4ccccc4)[C@H](c4ccccc4)C3)sc2C1 ZINC000024970787 558623131 /nfs/dbraw/zinc/62/31/31/558623131.db2.gz WZNNVKHBNKPKTM-FQEVSTJZSA-N 1 2 417.538 4.077 50 0 HIAALO C[N@H+]1CCc2nc(NC(=O)C3=NN(c4ccccc4)[C@H](c4ccccc4)C3)sc2C1 ZINC000024970787 558623132 /nfs/dbraw/zinc/62/31/32/558623132.db2.gz WZNNVKHBNKPKTM-FQEVSTJZSA-N 1 2 417.538 4.077 50 0 HIAALO C[N@@H+]1CCc2nc(NC(=O)CCCSc3nc4ccccc4s3)sc2C1 ZINC000014163378 558626444 /nfs/dbraw/zinc/62/64/44/558626444.db2.gz DPKASEWZHZBSHH-UHFFFAOYSA-N 1 2 404.586 4.252 50 0 HIAALO C[N@H+]1CCc2nc(NC(=O)CCCSc3nc4ccccc4s3)sc2C1 ZINC000014163378 558626446 /nfs/dbraw/zinc/62/64/46/558626446.db2.gz DPKASEWZHZBSHH-UHFFFAOYSA-N 1 2 404.586 4.252 50 0 HIAALO COc1ccc([C@H]2C[NH2+][C@]3(c4ccccc4N(C)C3=O)c3[nH]c4ccccc4c32)cc1 ZINC000025514147 558642304 /nfs/dbraw/zinc/64/23/04/558642304.db2.gz ZNKITLCLKOQVOO-NIYFSFCBSA-N 1 2 409.489 4.132 50 0 HIAALO O=C(c1cc(-c2ccncc2)nc2ccccc21)N1CC[NH+](Cc2cccs2)CC1 ZINC000025702040 558648317 /nfs/dbraw/zinc/64/83/17/558648317.db2.gz CXPJOQISBWNOAV-UHFFFAOYSA-N 1 2 414.534 4.316 50 0 HIAALO Cc1ccc2c(=O)cc(C(=O)NC[C@@H](c3ccccc3Cl)[NH+]3CCCC3)oc2c1 ZINC000028291277 558697661 /nfs/dbraw/zinc/69/76/61/558697661.db2.gz QGBAVGWOBXJIQZ-IBGZPJMESA-N 1 2 410.901 4.322 50 0 HIAALO Cc1ccccc1-n1ncc(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)c1C1CC1 ZINC000029764509 558720322 /nfs/dbraw/zinc/72/03/22/558720322.db2.gz TZFGYXJVCFRPPO-UHFFFAOYSA-N 1 2 411.509 4.233 50 0 HIAALO CCOc1ccc(C[N@@H+]2CCc3nc(Nc4ccccc4OC)ncc3C2)cc1OC ZINC000015778831 558752985 /nfs/dbraw/zinc/75/29/85/558752985.db2.gz LYIPJHOIMYKPAZ-UHFFFAOYSA-N 1 2 420.513 4.194 50 0 HIAALO CCOc1ccc(C[N@H+]2CCc3nc(Nc4ccccc4OC)ncc3C2)cc1OC ZINC000015778831 558752989 /nfs/dbraw/zinc/75/29/89/558752989.db2.gz LYIPJHOIMYKPAZ-UHFFFAOYSA-N 1 2 420.513 4.194 50 0 HIAALO CCOc1cccc(C[N@@H+]2CCc3nc(Nc4ccc(OC)cc4OC)ncc3C2)c1 ZINC000015778983 558753078 /nfs/dbraw/zinc/75/30/78/558753078.db2.gz IDAHXPYLWXLSQU-UHFFFAOYSA-N 1 2 420.513 4.194 50 0 HIAALO CCOc1cccc(C[N@H+]2CCc3nc(Nc4ccc(OC)cc4OC)ncc3C2)c1 ZINC000015778983 558753080 /nfs/dbraw/zinc/75/30/80/558753080.db2.gz IDAHXPYLWXLSQU-UHFFFAOYSA-N 1 2 420.513 4.194 50 0 HIAALO Cc1cc2oc(C(=O)NC[C@H](c3ccco3)[NH+]3CCCCC3)cc(=O)c2cc1Cl ZINC000015859934 558757599 /nfs/dbraw/zinc/75/75/99/558757599.db2.gz BZRICZVHHLOORB-QGZVFWFLSA-N 1 2 414.889 4.305 50 0 HIAALO COc1cccc(-c2ccc(NC(=O)[C@H]3CCC[N@H+](Cc4cc(C)[nH]n4)C3)cc2)c1 ZINC000015935058 558762948 /nfs/dbraw/zinc/76/29/48/558762948.db2.gz MSSFTQMFPUPUOQ-FQEVSTJZSA-N 1 2 404.514 4.244 50 0 HIAALO COc1cccc(-c2ccc(NC(=O)[C@H]3CCC[N@@H+](Cc4cc(C)[nH]n4)C3)cc2)c1 ZINC000015935058 558762950 /nfs/dbraw/zinc/76/29/50/558762950.db2.gz MSSFTQMFPUPUOQ-FQEVSTJZSA-N 1 2 404.514 4.244 50 0 HIAALO CC(C)[C@H](C)NC(=O)C[N@@H+]1CCC[C@@H]1c1nc(-c2cccc(C(F)(F)F)c2)c[nH]1 ZINC000072308662 558769857 /nfs/dbraw/zinc/76/98/57/558769857.db2.gz VRQZHMSFJMHLPT-KBXCAEBGSA-N 1 2 408.468 4.393 50 0 HIAALO CC(C)[C@H](C)NC(=O)C[N@H+]1CCC[C@@H]1c1nc(-c2cccc(C(F)(F)F)c2)c[nH]1 ZINC000072308662 558769859 /nfs/dbraw/zinc/76/98/59/558769859.db2.gz VRQZHMSFJMHLPT-KBXCAEBGSA-N 1 2 408.468 4.393 50 0 HIAALO COc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH+]1CCC(Sc2ccccn2)CC1 ZINC000072308939 558771640 /nfs/dbraw/zinc/77/16/40/558771640.db2.gz HOKZRFKREPBSPY-CQSZACIVSA-N 1 2 405.951 4.327 50 0 HIAALO C[S@@](=O)c1c(Cl)cccc1NC(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000072309781 558776028 /nfs/dbraw/zinc/77/60/28/558776028.db2.gz MGKFNDFBXSZLIF-NDEPHWFRSA-N 1 2 420.966 4.175 50 0 HIAALO Cn1cc[nH+]c1[C@@H](NC(=O)C1=Cc2cc(Cl)ccc2OC1)c1ccc(Cl)cc1 ZINC000016263222 558781851 /nfs/dbraw/zinc/78/18/51/558781851.db2.gz ATRYNBIPCDHPEA-IBGZPJMESA-N 1 2 414.292 4.409 50 0 HIAALO CCc1[nH+]c2ccccc2n1C[C@H](COc1ccc(Br)cc1)OC(C)=O ZINC000016286431 558783795 /nfs/dbraw/zinc/78/37/95/558783795.db2.gz XXBBIXWRTKOJFF-QGZVFWFLSA-N 1 2 417.303 4.372 50 0 HIAALO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N(C)Cc2ccc(Cl)s2)c(OC)c1 ZINC000016382627 558788860 /nfs/dbraw/zinc/78/88/60/558788860.db2.gz QQTDMGGZCFCJES-KRWDZBQOSA-N 1 2 408.951 4.214 50 0 HIAALO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)N(C)Cc2ccc(Cl)s2)c(OC)c1 ZINC000016382627 558788863 /nfs/dbraw/zinc/78/88/63/558788863.db2.gz QQTDMGGZCFCJES-KRWDZBQOSA-N 1 2 408.951 4.214 50 0 HIAALO Cc1[nH]c2ccccc2c1C(=O)[C@@H](c1ccccc1)[NH+]1CCN(c2ncccn2)CC1 ZINC000035828013 558795351 /nfs/dbraw/zinc/79/53/51/558795351.db2.gz ZNJKCAANMRNLGP-HSZRJFAPSA-N 1 2 411.509 4.013 50 0 HIAALO Brc1cccc(OCc2cccc(-c3[nH]n4cnc5nncc-5c4[nH+]3)c2)c1 ZINC000017092576 558821140 /nfs/dbraw/zinc/82/11/40/558821140.db2.gz CUEDNZGUOIAZAK-UHFFFAOYSA-N 1 2 421.258 4.009 50 0 HIAALO C[C@H](c1nnc(-c2ccc(F)cc2)o1)N1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000022200897 558865218 /nfs/dbraw/zinc/86/52/18/558865218.db2.gz OHOUUEITKMLKLZ-CYBMUJFWSA-N 1 2 406.914 4.469 50 0 HIAALO Cc1ccc(S(=O)(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000019300164 558866272 /nfs/dbraw/zinc/86/62/72/558866272.db2.gz CUKQYCYJOFKYAJ-UHFFFAOYSA-N 1 2 406.551 4.091 50 0 HIAALO CCOc1ccccc1CNC(=O)[C@H]1CCCN(c2[nH]c3ccc(Cl)cc3[nH+]2)C1 ZINC000033071544 558866528 /nfs/dbraw/zinc/86/65/28/558866528.db2.gz LXFVSFIMBFGKKU-INIZCTEOSA-N 1 2 412.921 4.148 50 0 HIAALO C[N@H+](Cc1nc(Cc2cccc(C(F)(F)F)c2)no1)Cc1ccc2nsnc2c1 ZINC000055108438 558873007 /nfs/dbraw/zinc/87/30/07/558873007.db2.gz LGXBHUILDRTAAP-UHFFFAOYSA-N 1 2 419.432 4.316 50 0 HIAALO C[N@@H+](Cc1nc(Cc2cccc(C(F)(F)F)c2)no1)Cc1ccc2nsnc2c1 ZINC000055108438 558873008 /nfs/dbraw/zinc/87/30/08/558873008.db2.gz LGXBHUILDRTAAP-UHFFFAOYSA-N 1 2 419.432 4.316 50 0 HIAALO COc1cccc(N2CC[NH+](Cc3coc4c(Cl)cc(Cl)cc4c3=O)CC2)c1 ZINC000055291957 558878721 /nfs/dbraw/zinc/87/87/21/558878721.db2.gz PPTPRZZIGQWSAT-UHFFFAOYSA-N 1 2 419.308 4.431 50 0 HIAALO Cc1ccc(-c2cc(NC(=O)C[N@@H+](Cc3cccs3)C[C@@H]3CCCO3)on2)cc1 ZINC000058176664 558909670 /nfs/dbraw/zinc/90/96/70/558909670.db2.gz ALBURCTWJDDRRC-SFHVURJKSA-N 1 2 411.527 4.331 50 0 HIAALO Cc1ccc(-c2cc(NC(=O)C[N@H+](Cc3cccs3)C[C@@H]3CCCO3)on2)cc1 ZINC000058176664 558909672 /nfs/dbraw/zinc/90/96/72/558909672.db2.gz ALBURCTWJDDRRC-SFHVURJKSA-N 1 2 411.527 4.331 50 0 HIAALO O=C(CCCc1ncc(-c2ccccc2)o1)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000033226991 558913518 /nfs/dbraw/zinc/91/35/18/558913518.db2.gz VXVMOJPXLLTZGV-UHFFFAOYSA-N 1 2 400.482 4.226 50 0 HIAALO O=C(NCCc1[nH+]ccn1C(F)F)c1ccccc1C(=O)c1ccc(Cl)cc1 ZINC000058282982 558916482 /nfs/dbraw/zinc/91/64/82/558916482.db2.gz NTHJKKXUKCARRT-UHFFFAOYSA-N 1 2 403.816 4.135 50 0 HIAALO Cc1cccc2sc(N(CCC[NH+]3CCOCC3)C(=O)CCc3ccccc3)nc21 ZINC000022997329 558982419 /nfs/dbraw/zinc/98/24/19/558982419.db2.gz UJJTTZCMUKKZKK-UHFFFAOYSA-N 1 2 423.582 4.293 50 0 HIAALO C[C@H]1C[N@@H+](Cc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)CCN1C ZINC000072454122 558982969 /nfs/dbraw/zinc/98/29/69/558982969.db2.gz UUCVOCBKPDJKKM-IBGZPJMESA-N 1 2 400.526 4.481 50 0 HIAALO CCOC(=O)c1ccsc1NC(=O)C[N@H+](C)Cc1ccccc1C(F)(F)F ZINC000096993565 559015290 /nfs/dbraw/zinc/01/52/90/559015290.db2.gz VEVCVMVCQVQYPP-UHFFFAOYSA-N 1 2 400.422 4.014 50 0 HIAALO CCOC(=O)c1ccsc1NC(=O)C[N@@H+](C)Cc1ccccc1C(F)(F)F ZINC000096993565 559015292 /nfs/dbraw/zinc/01/52/92/559015292.db2.gz VEVCVMVCQVQYPP-UHFFFAOYSA-N 1 2 400.422 4.014 50 0 HIAALO C[C@H](c1nc(-c2ccccc2)no1)N1CC[NH+](Cc2cnc(C(C)(C)C)s2)CC1 ZINC000097032704 559021506 /nfs/dbraw/zinc/02/15/06/559021506.db2.gz PELVYYZODZYDAC-MRXNPFEDSA-N 1 2 411.575 4.369 50 0 HIAALO Cc1nc2n(n1)C(=O)C([C@@H](c1ccc(Br)cc1)[NH+]1CCC(C)CC1)S2 ZINC000023157007 559022026 /nfs/dbraw/zinc/02/20/26/559022026.db2.gz RNXPGXLHEXHRNB-OAHLLOKOSA-N 1 2 421.364 4.389 50 0 HIAALO C[C@@H](c1nnc(SCC(=O)OC(C)(C)C)n1-c1ccc(F)cc1)[NH+]1CCCCC1 ZINC000011416275 559073852 /nfs/dbraw/zinc/07/38/52/559073852.db2.gz QAUYXCFRLZKTLD-HNNXBMFYSA-N 1 2 420.554 4.387 50 0 HIAALO O=C1C2=C(c3ccccc3)[NH2+]N(c3ccccc3)[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000100737090 559138841 /nfs/dbraw/zinc/13/88/41/559138841.db2.gz NIZSWNKIVADIJS-FPOVZHCZSA-N 1 2 401.853 4.123 50 0 HIAALO Cc1ccc(NC(=O)CSc2[nH+]cnc3c2cnn3Cc2ccccc2)cc1C ZINC000005518050 560604580 /nfs/dbraw/zinc/60/45/80/560604580.db2.gz RZTAVPCDHHQFLL-UHFFFAOYSA-N 1 2 403.511 4.222 50 0 HIAALO Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000017521627 560718052 /nfs/dbraw/zinc/71/80/52/560718052.db2.gz JFUAEZFKHDYUAT-FQEVSTJZSA-N 1 2 411.571 4.402 50 0 HIAALO CCc1[nH+]c2ccccc2n1CC(=O)N1CCC(C(=O)c2ccc(C)cc2C)CC1 ZINC000024453721 560829678 /nfs/dbraw/zinc/82/96/78/560829678.db2.gz IDVGNBCOQXEADU-UHFFFAOYSA-N 1 2 403.526 4.337 50 0 HIAALO Cc1nc2n(n1)C(=O)C([C@@H](c1ccc(Br)cc1)[N@@H+]1CCC[C@@H](C)C1)S2 ZINC000102850365 560830689 /nfs/dbraw/zinc/83/06/89/560830689.db2.gz LARRQCYFTYEJDE-IAQYHMDHSA-N 1 2 421.364 4.389 50 0 HIAALO Cc1nc2n(n1)C(=O)C([C@@H](c1ccc(Br)cc1)[N@H+]1CCC[C@@H](C)C1)S2 ZINC000102850365 560830690 /nfs/dbraw/zinc/83/06/90/560830690.db2.gz LARRQCYFTYEJDE-IAQYHMDHSA-N 1 2 421.364 4.389 50 0 HIAALO Cc1nnc(C2CC[NH+](CC(=O)Nc3cc(C(F)(F)F)ccc3Cl)CC2)s1 ZINC000049365839 568447108 /nfs/dbraw/zinc/44/71/08/568447108.db2.gz LYAXXQRQHRJHDE-UHFFFAOYSA-N 1 2 418.872 4.337 50 0 HIAALO COc1ccc2cc3cc(C(=O)N4CC[NH+](Cc5ccccc5)CC4)sc3nc2c1 ZINC000020178755 568593125 /nfs/dbraw/zinc/59/31/25/568593125.db2.gz OXTFZPQBASRPQT-UHFFFAOYSA-N 1 2 417.534 4.416 50 0 HIAALO Cc1cc(N2CCO[C@@H](c3ccc(Br)cc3)C2)nc(-c2ccncc2)[nH+]1 ZINC000095392517 568604192 /nfs/dbraw/zinc/60/41/92/568604192.db2.gz YEQXGXRJNNLDIK-GOSISDBHSA-N 1 2 411.303 4.187 50 0 HIAALO Cc1ccc(NC(=S)N(CCC[NH+]2CCOCC2)Cc2cccs2)c(C)c1 ZINC000020678449 568640111 /nfs/dbraw/zinc/64/01/11/568640111.db2.gz KPUOAMHZLWLUHJ-UHFFFAOYSA-N 1 2 403.617 4.286 50 0 HIAALO Cc1cccc(Cn2c3ccccc3[nH+]c2N2CCC(C(=O)N3CCCC3)CC2)c1 ZINC000021159804 568674408 /nfs/dbraw/zinc/67/44/08/568674408.db2.gz MOGNQZALVHCPSB-UHFFFAOYSA-N 1 2 402.542 4.232 50 0 HIAALO C[C@@H]1C[C@@H](C(=O)N2CC[NH+](Cc3ccc(-c4ccccc4F)s3)CC2)CCO1 ZINC000095988738 568677171 /nfs/dbraw/zinc/67/71/71/568677171.db2.gz KXNNEPSWAZNHRV-SJORKVTESA-N 1 2 402.535 4.014 50 0 HIAALO O=C(NCC1(c2c(F)cccc2F)CC1)[C@@H]1CCn2c(c[nH+]c2-c2ccccc2)C1 ZINC000095993280 568678054 /nfs/dbraw/zinc/67/80/54/568678054.db2.gz ZQUXXSKFFMCPFP-QGZVFWFLSA-N 1 2 407.464 4.239 50 0 HIAALO Cc1ccc(Cc2c(C)[nH+]c(CC(C)C)nc2N2CCN(C(=O)NC(C)C)CC2)cc1 ZINC000096317287 568726476 /nfs/dbraw/zinc/72/64/76/568726476.db2.gz SOAHSSQMQVVMNS-UHFFFAOYSA-N 1 2 423.605 4.123 50 0 HIAALO Cc1cc(C)cc(NC(=O)C2CC[NH+](Cc3noc(-c4ccc(F)cc4)n3)CC2)c1 ZINC000021724486 568751034 /nfs/dbraw/zinc/75/10/34/568751034.db2.gz VSIRKENRIIKWBM-UHFFFAOYSA-N 1 2 408.477 4.343 50 0 HIAALO Cc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](C(=O)Nc4c(F)cccc4F)C3)no2)cc1 ZINC000021724897 568751501 /nfs/dbraw/zinc/75/15/01/568751501.db2.gz ZBIRKWWUOJLXEL-MRXNPFEDSA-N 1 2 412.440 4.174 50 0 HIAALO Cc1ccc(-c2nc(C[N@H+]3CCC[C@@H](C(=O)Nc4c(F)cccc4F)C3)no2)cc1 ZINC000021724897 568751503 /nfs/dbraw/zinc/75/15/03/568751503.db2.gz ZBIRKWWUOJLXEL-MRXNPFEDSA-N 1 2 412.440 4.174 50 0 HIAALO Cc1ccc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCN(c3ccccc3F)CC2)cc1 ZINC000056945945 568821811 /nfs/dbraw/zinc/82/18/11/568821811.db2.gz YJIATIWSXAALGD-QFIPXVFZSA-N 1 2 407.489 4.020 50 0 HIAALO COc1ccccc1N1CC[NH+](Cc2cc(=O)c(O[C@H](C)c3ccccc3)co2)CC1 ZINC000056949856 568822014 /nfs/dbraw/zinc/82/20/14/568822014.db2.gz ZNYIAKXFTKVPDT-LJQANCHMSA-N 1 2 420.509 4.111 50 0 HIAALO COc1ccccc1N1CC[NH+](CC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)CC1 ZINC000057383589 568830905 /nfs/dbraw/zinc/83/09/05/568830905.db2.gz AXYMMIWOBDQYJW-HNNXBMFYSA-N 1 2 422.356 4.001 50 0 HIAALO CCOc1cc(C[N@@H+]2Cc3ccccc3C[C@@H]2C(=O)NC2CCCCC2)ccc1O ZINC000012468460 568838235 /nfs/dbraw/zinc/83/82/35/568838235.db2.gz QXIZRTBYTOUSQX-JOCHJYFZSA-N 1 2 408.542 4.167 50 0 HIAALO CCOc1cc(C[N@H+]2Cc3ccccc3C[C@@H]2C(=O)NC2CCCCC2)ccc1O ZINC000012468460 568838236 /nfs/dbraw/zinc/83/82/36/568838236.db2.gz QXIZRTBYTOUSQX-JOCHJYFZSA-N 1 2 408.542 4.167 50 0 HIAALO CCOc1cc(C[N@@H+]2Cc3ccccc3C[C@H]2C(=O)NC2CCCCC2)ccc1O ZINC000012468465 568838330 /nfs/dbraw/zinc/83/83/30/568838330.db2.gz QXIZRTBYTOUSQX-QFIPXVFZSA-N 1 2 408.542 4.167 50 0 HIAALO CCOc1cc(C[N@H+]2Cc3ccccc3C[C@H]2C(=O)NC2CCCCC2)ccc1O ZINC000012468465 568838331 /nfs/dbraw/zinc/83/83/31/568838331.db2.gz QXIZRTBYTOUSQX-QFIPXVFZSA-N 1 2 408.542 4.167 50 0 HIAALO COc1ccc(-c2cc(C[NH+]3CCN(c4ccc(C(C)=O)cc4F)CC3)on2)cc1 ZINC000057463030 568838350 /nfs/dbraw/zinc/83/83/50/568838350.db2.gz AKPHSRXJROZXFK-UHFFFAOYSA-N 1 2 409.461 4.014 50 0 HIAALO CCC[N@H+](Cc1nnc(-c2cccs2)o1)[C@H](C(=O)N1CCCC1)c1ccccc1 ZINC000057473993 568839329 /nfs/dbraw/zinc/83/93/29/568839329.db2.gz VOHDKSUNORASRC-FQEVSTJZSA-N 1 2 410.543 4.374 50 0 HIAALO CCC[N@@H+](Cc1nnc(-c2cccs2)o1)[C@H](C(=O)N1CCCC1)c1ccccc1 ZINC000057473993 568839330 /nfs/dbraw/zinc/83/93/30/568839330.db2.gz VOHDKSUNORASRC-FQEVSTJZSA-N 1 2 410.543 4.374 50 0 HIAALO COc1ccc([C@@H](NC(=O)c2sc(-c3ccsc3)nc2C)c2[nH+]ccn2C)cc1 ZINC000012520541 568841337 /nfs/dbraw/zinc/84/13/37/568841337.db2.gz BJONOMOTKIZICJ-QGZVFWFLSA-N 1 2 424.551 4.442 50 0 HIAALO COc1ccccc1[C@@H](NC(=O)Cc1ccc(Cl)c(Cl)c1)c1[nH+]ccn1C ZINC000012525074 568842681 /nfs/dbraw/zinc/84/26/81/568842681.db2.gz QFDMFZHDSDFLOP-LJQANCHMSA-N 1 2 404.297 4.184 50 0 HIAALO COc1ccc([C@H](NC(=O)CSCc2ccc(Cl)s2)c2[nH+]ccn2C)cc1 ZINC000012547850 568850968 /nfs/dbraw/zinc/85/09/68/568850968.db2.gz IBCCOQPYLYQYNW-SFHVURJKSA-N 1 2 421.975 4.283 50 0 HIAALO COc1cccc([C@@H](NC(=O)Cc2ccc(Cl)c(Cl)c2)c2[nH+]ccn2C)c1 ZINC000012550227 568852544 /nfs/dbraw/zinc/85/25/44/568852544.db2.gz ACKPXBLOPNBSMD-LJQANCHMSA-N 1 2 404.297 4.184 50 0 HIAALO CCOCc1c2ccccc2oc1C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000012577289 568862572 /nfs/dbraw/zinc/86/25/72/568862572.db2.gz UOPOFMQGGLGKCF-HXUWFJFHSA-N 1 2 407.445 4.361 50 0 HIAALO O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000012603681 568870635 /nfs/dbraw/zinc/87/06/35/568870635.db2.gz LRKUWLNZEKXQNQ-UHFFFAOYSA-N 1 2 412.493 4.314 50 0 HIAALO O=C(NC[C@H](c1cccnc1)[NH+]1CCN(c2ccccc2)CC1)c1cccc(Cl)c1 ZINC000058133866 568890005 /nfs/dbraw/zinc/89/00/05/568890005.db2.gz FYYRMVPYYHKJMG-HSZRJFAPSA-N 1 2 420.944 4.028 50 0 HIAALO Cc1ccc2c(C[N@H+](C)CC(=O)Nc3ccc(Cl)c(Cl)c3)cc(=O)oc2c1 ZINC000003397859 568895659 /nfs/dbraw/zinc/89/56/59/568895659.db2.gz UIFMLSNSNIBUBV-UHFFFAOYSA-N 1 2 405.281 4.479 50 0 HIAALO Cc1ccc2c(C[N@@H+](C)CC(=O)Nc3ccc(Cl)c(Cl)c3)cc(=O)oc2c1 ZINC000003397859 568895662 /nfs/dbraw/zinc/89/56/62/568895662.db2.gz UIFMLSNSNIBUBV-UHFFFAOYSA-N 1 2 405.281 4.479 50 0 HIAALO Cc1[nH+]c2ccccc2n1CC(=O)OCC(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000012655121 568906750 /nfs/dbraw/zinc/90/67/50/568906750.db2.gz NZUABRGDHVBOFK-UHFFFAOYSA-N 1 2 415.449 4.319 50 0 HIAALO Cc1cc(C[NH+]2CCN([C@@H](C)c3nc(C)c(-c4ccc(Cl)cc4)o3)CC2)on1 ZINC000084124241 568939184 /nfs/dbraw/zinc/93/91/84/568939184.db2.gz FGISLPSNLABTKP-INIZCTEOSA-N 1 2 400.910 4.479 50 0 HIAALO CC[C@@H](c1ccccc1)[N@H+](CC(=O)OC)Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000084734662 568957430 /nfs/dbraw/zinc/95/74/30/568957430.db2.gz JUKOEUMADJHRRM-QHCPKHFHSA-N 1 2 408.542 4.439 50 0 HIAALO CC[C@@H](c1ccccc1)[N@@H+](CC(=O)OC)Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000084734662 568957431 /nfs/dbraw/zinc/95/74/31/568957431.db2.gz JUKOEUMADJHRRM-QHCPKHFHSA-N 1 2 408.542 4.439 50 0 HIAALO O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1cc(C[NH+]2CCCC2)on1 ZINC000015769564 568997291 /nfs/dbraw/zinc/99/72/91/568997291.db2.gz UGQKTJNPUZFQKB-UHFFFAOYSA-N 1 2 409.873 4.407 50 0 HIAALO C[N@H+](CCOc1ccc(Br)cc1)Cc1nc(-c2ccc(F)cc2)no1 ZINC000012868044 569012335 /nfs/dbraw/zinc/01/23/35/569012335.db2.gz LOFIPFZEDUKTTF-UHFFFAOYSA-N 1 2 406.255 4.149 50 0 HIAALO C[N@@H+](CCOc1ccc(Br)cc1)Cc1nc(-c2ccc(F)cc2)no1 ZINC000012868044 569012336 /nfs/dbraw/zinc/01/23/36/569012336.db2.gz LOFIPFZEDUKTTF-UHFFFAOYSA-N 1 2 406.255 4.149 50 0 HIAALO Cc1cccc(S(=O)(=O)Nc2ccc(CCc3[nH+]c4ccccc4n3C)cc2)c1 ZINC000015870674 569017504 /nfs/dbraw/zinc/01/75/04/569017504.db2.gz IHRHKKPTGOCIBY-UHFFFAOYSA-N 1 2 405.523 4.468 50 0 HIAALO COc1cc(NC(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2cccs2)cc(OC)c1 ZINC000012886014 569019782 /nfs/dbraw/zinc/01/97/82/569019782.db2.gz VHWFZTGYALWJFQ-OAQYLSRUSA-N 1 2 414.552 4.413 50 0 HIAALO COc1cc(NC(=O)C[N@H+]2CCc3sccc3[C@@H]2c2cccs2)cc(OC)c1 ZINC000012886014 569019783 /nfs/dbraw/zinc/01/97/83/569019783.db2.gz VHWFZTGYALWJFQ-OAQYLSRUSA-N 1 2 414.552 4.413 50 0 HIAALO COc1cc(NC(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2)cc(OC)c1 ZINC000012928109 569024067 /nfs/dbraw/zinc/02/40/67/569024067.db2.gz CQUJFXAKPGIAFE-QHCPKHFHSA-N 1 2 408.523 4.352 50 0 HIAALO COc1cc(NC(=O)C[N@H+]2CCc3sccc3[C@@H]2c2ccccc2)cc(OC)c1 ZINC000012928109 569024068 /nfs/dbraw/zinc/02/40/68/569024068.db2.gz CQUJFXAKPGIAFE-QHCPKHFHSA-N 1 2 408.523 4.352 50 0 HIAALO COc1cc2c(cc1OC)[C@@H](c1ccccc1)[N@H+](CC(=O)NC1CCCCC1)CC2 ZINC000035344152 569033413 /nfs/dbraw/zinc/03/34/13/569033413.db2.gz RDRHRBKNZNCEGV-RUZDIDTESA-N 1 2 408.542 4.100 50 0 HIAALO COc1cc2c(cc1OC)[C@@H](c1ccccc1)[N@@H+](CC(=O)NC1CCCCC1)CC2 ZINC000035344152 569033414 /nfs/dbraw/zinc/03/34/14/569033414.db2.gz RDRHRBKNZNCEGV-RUZDIDTESA-N 1 2 408.542 4.100 50 0 HIAALO COc1cc(C)c(S(=O)(=O)Nc2ccccc2-c2cn3c([nH+]2)CCCC3)cc1C ZINC000575621389 569038980 /nfs/dbraw/zinc/03/89/80/569038980.db2.gz WOXPYKGSQHURBV-UHFFFAOYSA-N 1 2 411.527 4.313 50 0 HIAALO Cc1cccn2cc(-c3ccc(NC(=O)c4cccc(C[S@](C)=O)c4)cc3)[nH+]c12 ZINC000053837689 569041677 /nfs/dbraw/zinc/04/16/77/569041677.db2.gz CIATXEZKTRQWDE-GDLZYMKVSA-N 1 2 403.507 4.441 50 0 HIAALO Cc1cccn2cc(-c3ccc(NC(=O)c4cccc(C[S@@](C)=O)c4)cc3)[nH+]c12 ZINC000053837690 569041688 /nfs/dbraw/zinc/04/16/88/569041688.db2.gz CIATXEZKTRQWDE-LJAQVGFWSA-N 1 2 403.507 4.441 50 0 HIAALO Cn1cccc1[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000006600373 569069348 /nfs/dbraw/zinc/06/93/48/569069348.db2.gz XWCVQYMBTACWMB-QFIPXVFZSA-N 1 2 402.498 4.053 50 0 HIAALO Cn1cccc1[C@@H]1CCC[N@H+]1CC(=O)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000006600373 569069349 /nfs/dbraw/zinc/06/93/49/569069349.db2.gz XWCVQYMBTACWMB-QFIPXVFZSA-N 1 2 402.498 4.053 50 0 HIAALO Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)nc(Cn2cc[nH+]c2)n3CC(C)C)cc1 ZINC000006665582 569086089 /nfs/dbraw/zinc/08/60/89/569086089.db2.gz JQIDIRQSIAKODT-UHFFFAOYSA-N 1 2 423.542 4.046 50 0 HIAALO COc1cccc(C[N@H+](Cc2nc(C(=O)NC3CC3)co2)[C@H](C)c2ccccc2)c1 ZINC000036073547 569086874 /nfs/dbraw/zinc/08/68/74/569086874.db2.gz HEECNQNSFASNLE-QGZVFWFLSA-N 1 2 405.498 4.339 50 0 HIAALO COc1cccc(C[N@@H+](Cc2nc(C(=O)NC3CC3)co2)[C@H](C)c2ccccc2)c1 ZINC000036073547 569086875 /nfs/dbraw/zinc/08/68/75/569086875.db2.gz HEECNQNSFASNLE-QGZVFWFLSA-N 1 2 405.498 4.339 50 0 HIAALO CCOc1ccc([C@H](C2Sc3nc(CC)nn3C2=O)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000036104760 569092569 /nfs/dbraw/zinc/09/25/69/569092569.db2.gz HQCYILUISPEGKZ-KBXCAEBGSA-N 1 2 400.548 4.279 50 0 HIAALO CCOc1ccc([C@H](C2Sc3nc(CC)nn3C2=O)[N@H+]2CCC[C@H](C)C2)cc1 ZINC000036104760 569092571 /nfs/dbraw/zinc/09/25/71/569092571.db2.gz HQCYILUISPEGKZ-KBXCAEBGSA-N 1 2 400.548 4.279 50 0 HIAALO CCNc1nc(Nc2ccc(NS(=O)(=O)c3ccccc3Cl)cc2)cc(C)[nH+]1 ZINC000064801764 569097895 /nfs/dbraw/zinc/09/78/95/569097895.db2.gz HSRWBNUAWJEXHJ-UHFFFAOYSA-N 1 2 417.922 4.415 50 0 HIAALO CC[NH+]1CCN(C(=O)c2oc3ccc4c(c3c2C)C(=O)CC2(CCCCC2)O4)CC1 ZINC000006793307 569124864 /nfs/dbraw/zinc/12/48/64/569124864.db2.gz UGZYSOSAMWDJTR-UHFFFAOYSA-N 1 2 410.514 4.187 50 0 biogenic HIAALO O=C(NCc1cccc(F)c1)c1ccc(-c2ccc(N3CCSCC3)[nH+]c2)cc1 ZINC000065178280 569191801 /nfs/dbraw/zinc/19/18/01/569191801.db2.gz HOKMRTMAEUATTK-UHFFFAOYSA-N 1 2 407.514 4.371 50 0 HIAALO CCCNc1cc(N2CCC[C@H](CCC(=O)N[C@@H](C)c3ccc(F)cc3)C2)nc[nH+]1 ZINC000065244898 569204843 /nfs/dbraw/zinc/20/48/43/569204843.db2.gz GOKIRESWKHIIAD-ZWKOTPCHSA-N 1 2 413.541 4.312 50 0 HIAALO CCCNc1cc(N2CCC[C@H](CCC(=O)N[C@@H](C)c3ccc(F)cc3)C2)[nH+]cn1 ZINC000065244898 569204845 /nfs/dbraw/zinc/20/48/45/569204845.db2.gz GOKIRESWKHIIAD-ZWKOTPCHSA-N 1 2 413.541 4.312 50 0 HIAALO O=C(c1ccccc1F)N1CCC[C@]2(C1)Nc1ccccc1NC2=[NH+]C1CCCC1 ZINC000065259960 569210911 /nfs/dbraw/zinc/21/09/11/569210911.db2.gz FMONXPJHMWGXEH-XMMPIXPASA-N 1 2 406.505 4.488 50 0 HIAALO O=C(c1ccccn1)N1CCC[C@@]2(C1)Nc1ccccc1NC2=[NH+]Cc1ccccc1 ZINC000065259919 569210952 /nfs/dbraw/zinc/21/09/52/569210952.db2.gz ARCUUKPRPSHSJW-VWLOTQADSA-N 1 2 411.509 4.002 50 0 HIAALO CCCNc1cc(N2CCC(CCC(=O)NCc3ccccc3Cl)CC2)nc[nH+]1 ZINC000065274189 569214945 /nfs/dbraw/zinc/21/49/45/569214945.db2.gz LJZCGLSYDZSMNB-UHFFFAOYSA-N 1 2 415.969 4.265 50 0 HIAALO CCCNc1cc(N2CCC(CCC(=O)NCc3ccccc3Cl)CC2)[nH+]cn1 ZINC000065274189 569214946 /nfs/dbraw/zinc/21/49/46/569214946.db2.gz LJZCGLSYDZSMNB-UHFFFAOYSA-N 1 2 415.969 4.265 50 0 HIAALO C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000007267147 569230924 /nfs/dbraw/zinc/23/09/24/569230924.db2.gz PFQSWBRCPJILMX-AZUAARDMSA-N 1 2 402.494 4.452 50 0 HIAALO C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000007267147 569230925 /nfs/dbraw/zinc/23/09/25/569230925.db2.gz PFQSWBRCPJILMX-AZUAARDMSA-N 1 2 402.494 4.452 50 0 HIAALO C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000007267148 569230959 /nfs/dbraw/zinc/23/09/59/569230959.db2.gz PFQSWBRCPJILMX-UYAOXDASSA-N 1 2 402.494 4.452 50 0 HIAALO C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000007267148 569230960 /nfs/dbraw/zinc/23/09/60/569230960.db2.gz PFQSWBRCPJILMX-UYAOXDASSA-N 1 2 402.494 4.452 50 0 HIAALO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000170610638 569245271 /nfs/dbraw/zinc/24/52/71/569245271.db2.gz QSYXFLLCFIWZAW-OXJNMPFZSA-N 1 2 413.587 4.248 50 0 HIAALO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000170610638 569245272 /nfs/dbraw/zinc/24/52/72/569245272.db2.gz QSYXFLLCFIWZAW-OXJNMPFZSA-N 1 2 413.587 4.248 50 0 HIAALO Cc1ccc(-n2ncc3c2nc[nH+]c3N2CCN(c3ccccc3)CC2)cc1Cl ZINC000017120863 569275134 /nfs/dbraw/zinc/27/51/34/569275134.db2.gz CEBNHIHLYMLPHC-UHFFFAOYSA-N 1 2 404.905 4.104 50 0 HIAALO COc1ccc(NC(=O)Cn2c3ccccc3[nH+]c2NCc2ccccc2)cc1OC ZINC000007737877 569305580 /nfs/dbraw/zinc/30/55/80/569305580.db2.gz DJSGTEDCVZYTGO-UHFFFAOYSA-N 1 2 416.481 4.304 50 0 HIAALO O=C(NC[C@@H](c1ccco1)[NH+]1CCSCC1)C(c1ccccc1)c1ccccc1 ZINC000253402339 569365680 /nfs/dbraw/zinc/36/56/80/569365680.db2.gz ODNVEYOXZFKIIT-NRFANRHFSA-N 1 2 406.551 4.318 50 0 HIAALO Cc1cc(C[NH+]2CCC(C(=O)Nc3ccc(-c4nc5ccccc5o4)cc3)CC2)n[nH]1 ZINC000012307134 569400302 /nfs/dbraw/zinc/40/03/02/569400302.db2.gz KALHPDXRZHVGQY-UHFFFAOYSA-N 1 2 415.497 4.377 50 0 HIAALO Cc1ccc(NC(=O)CSc2[nH+]cnc3c2cnn3Cc2ccccc2)cc1F ZINC000002444518 569400976 /nfs/dbraw/zinc/40/09/76/569400976.db2.gz DVXXNRCPWHCXBJ-UHFFFAOYSA-N 1 2 407.474 4.053 50 0 HIAALO COc1ccc(C[N@H+](C)Cn2nc(COc3ccccc3Cl)n(C)c2=S)cc1 ZINC000013072646 569408721 /nfs/dbraw/zinc/40/87/21/569408721.db2.gz PBOUWAPLSDROPQ-UHFFFAOYSA-N 1 2 418.950 4.282 50 0 HIAALO COc1ccc(C[N@@H+](C)Cn2nc(COc3ccccc3Cl)n(C)c2=S)cc1 ZINC000013072646 569408723 /nfs/dbraw/zinc/40/87/23/569408723.db2.gz PBOUWAPLSDROPQ-UHFFFAOYSA-N 1 2 418.950 4.282 50 0 HIAALO CCn1ncc2c1nc(-c1ccccc1)cc2C(=O)OCc1ccnc(-n2cc[nH+]c2)c1 ZINC000079017977 569424160 /nfs/dbraw/zinc/42/41/60/569424160.db2.gz RZTXDHKJPVHBJC-UHFFFAOYSA-N 1 2 424.464 4.056 50 0 HIAALO O=c1[nH]c(C[NH+]2CCC(c3nc4ccccc4s3)CC2)nc2sc3c(c21)CCC3 ZINC000008582896 571082685 /nfs/dbraw/zinc/08/26/85/571082685.db2.gz AEJWSJVBONAZGN-UHFFFAOYSA-N 1 2 422.579 4.463 50 0 HIAALO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000040067990 571148666 /nfs/dbraw/zinc/14/86/66/571148666.db2.gz STDAZJXNWPMJOY-UTKZUKDTSA-N 1 2 401.938 4.116 50 0 HIAALO C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000069056398 571180876 /nfs/dbraw/zinc/18/08/76/571180876.db2.gz PDMONCODNSXZOW-MOTZXUDYSA-N 1 2 417.475 4.363 50 0 HIAALO O=C1c2ccccc2N[C@@H](c2ccc(-n3cc[nH+]c3)cc2)N1Cc1ccc2c(c1)OCO2 ZINC000009218949 571237931 /nfs/dbraw/zinc/23/79/31/571237931.db2.gz GPRCNOKRLTUXFA-XMMPIXPASA-N 1 2 424.460 4.368 50 0 HIAALO C[C@@H](NC(=O)c1ccc(NC(=O)c2ccco2)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000009366847 571252144 /nfs/dbraw/zinc/25/21/44/571252144.db2.gz BHSDZKJTVUHGQP-MRXNPFEDSA-N 1 2 400.438 4.209 50 0 HIAALO COc1cc(CCNc2[nH+]cnc3c2cnn3-c2ccccc2)ccc1OC(F)F ZINC000009513536 571264583 /nfs/dbraw/zinc/26/45/83/571264583.db2.gz ZUGFBMGGVFXTES-UHFFFAOYSA-N 1 2 411.412 4.080 50 0 HIAALO CCOc1ccccc1NC(=O)CSc1[nH+]cnc2c1cnn2-c1ccc(F)cc1 ZINC000009517633 571265250 /nfs/dbraw/zinc/26/52/50/571265250.db2.gz FWXKDUTUKOTULT-UHFFFAOYSA-N 1 2 423.473 4.084 50 0 HIAALO CCNc1cc(C)[nH+]c(Nc2ccc(NS(=O)(=O)c3ccc(C)cc3C)cc2)n1 ZINC000009572422 571269069 /nfs/dbraw/zinc/26/90/69/571269069.db2.gz ROIXOARPGJWTDL-UHFFFAOYSA-N 1 2 411.531 4.378 50 0 HIAALO COc1ccc(C(=O)[C@H]2CCC[N@H+](Cc3nc4c(s3)CCCC4)C2)c(OC)c1 ZINC000019841778 846372350 /nfs/dbraw/zinc/37/23/50/846372350.db2.gz AVULSTBUGURZRF-HNNXBMFYSA-N 1 2 400.544 4.134 50 0 HIAALO COc1ccc(C(=O)[C@H]2CCC[N@@H+](Cc3nc4c(s3)CCCC4)C2)c(OC)c1 ZINC000019841778 846372362 /nfs/dbraw/zinc/37/23/62/846372362.db2.gz AVULSTBUGURZRF-HNNXBMFYSA-N 1 2 400.544 4.134 50 0 HIAALO COC(=O)c1ccc(-c2noc(C[N@H+](C)Cc3ccccc3C(F)(F)F)n2)cc1 ZINC000019774246 846372662 /nfs/dbraw/zinc/37/26/62/846372662.db2.gz NLYQKHCCXPMFGW-UHFFFAOYSA-N 1 2 405.376 4.174 50 0 HIAALO COC(=O)c1ccc(-c2noc(C[N@@H+](C)Cc3ccccc3C(F)(F)F)n2)cc1 ZINC000019774246 846372671 /nfs/dbraw/zinc/37/26/71/846372671.db2.gz NLYQKHCCXPMFGW-UHFFFAOYSA-N 1 2 405.376 4.174 50 0 HIAALO COc1ccc(OC)c(C[N@@H+]2CCOc3ccc([C@H](O)Cc4ccccc4)cc3C2)c1 ZINC000055152783 849978456 /nfs/dbraw/zinc/97/84/56/849978456.db2.gz AXZBFSBZQHFVOA-XMMPIXPASA-N 1 2 419.521 4.375 50 0 HIAALO COc1ccc(OC)c(C[N@H+]2CCOc3ccc([C@H](O)Cc4ccccc4)cc3C2)c1 ZINC000055152783 849978466 /nfs/dbraw/zinc/97/84/66/849978466.db2.gz AXZBFSBZQHFVOA-XMMPIXPASA-N 1 2 419.521 4.375 50 0 HIAALO O[C@@H](COc1cc(Cl)ccc1Cl)CN1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000096635250 852554194 /nfs/dbraw/zinc/55/41/94/852554194.db2.gz PEVKUPBDMBMFKA-DHBDYNCWSA-N 1 2 421.368 4.064 50 0 HIAALO O=C(c1ccc(OCc2cscn2)cc1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000096893614 852557136 /nfs/dbraw/zinc/55/71/36/852557136.db2.gz XAXTURWTIRESHV-DAXSKMNVSA-N 1 2 419.550 4.193 50 0 HIAALO CSc1ccc(-c2nc(CN3CC[NH+](Cc4ncccc4C)CC3)c(C)o2)cc1 ZINC000199295722 853795952 /nfs/dbraw/zinc/79/59/52/853795952.db2.gz JDHJOIXMGSNGBW-UHFFFAOYSA-N 1 2 408.571 4.393 50 0 HIAALO O=C(c1ccc(Cn2cc[nH+]c2)o1)N1CCCCC[C@@H]1c1nnc(-c2ccccc2)o1 ZINC000257179363 854232862 /nfs/dbraw/zinc/23/28/62/854232862.db2.gz COSGAWGBUNLRHY-LJQANCHMSA-N 1 2 417.469 4.332 50 0 HIAALO Fc1cccc(-c2cnc(C(F)(F)F)nc2C2CC[NH+](Cc3ncc[nH]3)CC2)c1 ZINC000299761703 854280690 /nfs/dbraw/zinc/28/06/90/854280690.db2.gz MYZGABJZWVXAAD-UHFFFAOYSA-N 1 2 405.399 4.404 50 0 HIAALO Cc1nn2c(nc(C)cc2N2CCN(c3cccc[nH+]3)CC2)c1-c1ccc(Cl)cc1 ZINC000006759124 132315125 /nfs/dbraw/zinc/31/51/25/132315125.db2.gz LTHQXAMWSFPTMB-UHFFFAOYSA-N 1 2 418.932 4.388 50 0 HIAALO Fc1cc(C[NH+]2CCN(c3ccccn3)CC2)c2c(c1)CO[C@H](c1ccsc1)O2 ZINC000008132633 132327665 /nfs/dbraw/zinc/32/76/65/132327665.db2.gz FESZMZIBURXGPY-QFIPXVFZSA-N 1 2 411.502 4.212 50 0 HIAALO Cc1cc(N2CCN([C@@H](C)C(=O)Nc3cccc(Cl)c3C)CC2)nc(C(C)C)[nH+]1 ZINC000012778142 132367036 /nfs/dbraw/zinc/36/70/36/132367036.db2.gz MKTCGESTTXVVAL-KRWDZBQOSA-N 1 2 415.969 4.019 50 0 HIAALO O=C1C[C@H](/C=C/c2ccccc2)Cc2nc(N3CC[NH+](Cc4ccccc4)CC3)ncc21 ZINC000021122871 132472203 /nfs/dbraw/zinc/47/22/03/132472203.db2.gz KKOHNXPOOVCNSD-HRBBJJPOSA-N 1 2 424.548 4.257 50 0 HIAALO CCOC(=O)c1sc2nc(C[N@H+](C)Cc3ccc(Cl)cc3)nc(N)c2c1C ZINC000032850945 521618537 /nfs/dbraw/zinc/61/85/37/521618537.db2.gz ITMASGMPPJFZJQ-UHFFFAOYSA-N 1 2 404.923 4.044 50 0 HIAALO CCOC(=O)c1sc2nc(C[N@@H+](C)Cc3ccc(Cl)cc3)nc(N)c2c1C ZINC000032850945 521618541 /nfs/dbraw/zinc/61/85/41/521618541.db2.gz ITMASGMPPJFZJQ-UHFFFAOYSA-N 1 2 404.923 4.044 50 0 HIAALO CCCn1c(C)cc(-c2csc(NC(=O)c3ccc(-n4cc[nH+]c4)nc3)n2)c1C ZINC000032909677 521620670 /nfs/dbraw/zinc/62/06/70/521620670.db2.gz LFBDAGIOCCORGO-UHFFFAOYSA-N 1 2 406.515 4.471 50 0 HIAALO Cc1ccc2oc(=O)c3cc(C(=O)N4CC[NH+](Cc5ccccc5)CC4)sc3c2c1 ZINC000020286361 524087037 /nfs/dbraw/zinc/08/70/37/524087037.db2.gz DJWNTBYXJSPFJA-UHFFFAOYSA-N 1 2 418.518 4.274 50 0 HIAALO Cc1cccc(N(Cc2ccccc2)C(=O)CSc2nnc(C[NH+]3CCCC3)o2)c1 ZINC000032671758 524527387 /nfs/dbraw/zinc/52/73/87/524527387.db2.gz CLVJFDLXNZWSTD-UHFFFAOYSA-N 1 2 422.554 4.299 50 0 HIAALO Cc1cc(NC(=O)c2ccco2)sc1C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000032869053 525253466 /nfs/dbraw/zinc/25/34/66/525253466.db2.gz BCUGQKAEQVQRJB-UHFFFAOYSA-N 1 2 420.494 4.077 50 0 HIAALO Cc1[nH]nc(-c2ccc(OCC[NH+]3CCOCC3)cc2O)c1-c1ccc(Cl)cc1 ZINC000020589517 525463601 /nfs/dbraw/zinc/46/36/01/525463601.db2.gz UGNGPGLEEKDEHQ-UHFFFAOYSA-N 1 2 413.905 4.122 50 0 HIAALO O=C(CCc1ncc(-c2c(F)cccc2F)o1)NCc1ccccc1Cn1cc[nH+]c1 ZINC000032882559 526656995 /nfs/dbraw/zinc/65/69/95/526656995.db2.gz BFAPSHQUTDBYHX-UHFFFAOYSA-N 1 2 422.435 4.114 50 0 HIAALO O=C(NCc1cccnc1-n1cc[nH+]c1)c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000032778137 526772270 /nfs/dbraw/zinc/77/22/70/526772270.db2.gz SYHRYNSXNFZHST-UHFFFAOYSA-N 1 2 420.476 4.050 50 0 HIAALO Cc1sc(-n2cccc2)c(C(=O)NC[C@@H](c2cccs2)[NH+]2CCOCC2)c1C ZINC000025458446 526865544 /nfs/dbraw/zinc/86/55/44/526865544.db2.gz KVDJHLGGSFQTFU-KRWDZBQOSA-N 1 2 415.584 4.020 50 0 HIAALO Cc1nc2sc3c(c2c2nc(-c4ccncc4)nn21)CC[N@@H+](Cc1ccccc1)C3 ZINC000020548234 527208572 /nfs/dbraw/zinc/20/85/72/527208572.db2.gz FQQGCAUGZISELD-UHFFFAOYSA-N 1 2 412.522 4.268 50 0 HIAALO Cc1nc2sc3c(c2c2nc(-c4ccncc4)nn21)CC[N@H+](Cc1ccccc1)C3 ZINC000020548234 527208580 /nfs/dbraw/zinc/20/85/80/527208580.db2.gz FQQGCAUGZISELD-UHFFFAOYSA-N 1 2 412.522 4.268 50 0 HIAALO CC[C@@H](C(=O)N1CCN(c2cc(C)[nH+]c(-c3cccc(F)c3)n2)CC1)c1ccccc1 ZINC000006740096 535403879 /nfs/dbraw/zinc/40/38/79/535403879.db2.gz CGTADLCQUBPUGG-JOCHJYFZSA-N 1 2 418.516 4.434 50 0 HIAALO COc1cc(OC)c(OC)cc1C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000000752331 536866246 /nfs/dbraw/zinc/86/62/46/536866246.db2.gz GUEXNSPUSZLIGP-UHFFFAOYSA-N 1 2 410.436 4.053 50 0 HIAALO CCOC(=O)c1c[nH+]c2ccc(OC)cc2c1NCCc1ccc(OC)c(OC)c1 ZINC000000953678 557125465 /nfs/dbraw/zinc/12/54/65/557125465.db2.gz UUSAHOUTQCTJQE-UHFFFAOYSA-N 1 2 410.470 4.092 50 0 HIAALO CCOc1ccc(-c2cc(C(=O)NCCCn3cc[nH+]c3)c3ccccc3n2)cc1 ZINC000002774289 557384633 /nfs/dbraw/zinc/38/46/33/557384633.db2.gz GBHIPHOGLQHORF-UHFFFAOYSA-N 1 2 400.482 4.317 50 0 HIAALO COc1cc2c(cc1OC)[C@@H](CNC(=O)c1ccco1)[N@H+](Cc1ccc(C)cc1)CC2 ZINC000034855731 557477320 /nfs/dbraw/zinc/47/73/20/557477320.db2.gz QVYYXYKJULTPMX-OAQYLSRUSA-N 1 2 420.509 4.135 50 0 HIAALO COc1cc2c(cc1OC)[C@@H](CNC(=O)c1ccco1)[N@@H+](Cc1ccc(C)cc1)CC2 ZINC000034855731 557477323 /nfs/dbraw/zinc/47/73/23/557477323.db2.gz QVYYXYKJULTPMX-OAQYLSRUSA-N 1 2 420.509 4.135 50 0 HIAALO C[C@@H](c1ccc(F)cc1)[NH+]1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000022849393 557838845 /nfs/dbraw/zinc/83/88/45/557838845.db2.gz SHLNWNHGBBHZHL-HNNXBMFYSA-N 1 2 400.885 4.408 50 0 HIAALO Cc1ccccc1C(=O)Nc1ccnn1C1CC[NH+](Cc2cc(CC(C)C)[nH]n2)CC1 ZINC000011662885 558266518 /nfs/dbraw/zinc/26/65/18/558266518.db2.gz RLQIJYAUGJKIMB-UHFFFAOYSA-N 1 2 420.561 4.203 50 0 HIAALO CC(=O)c1c(-c2ccc(Cl)cc2)nc2n(CC[NH+]3CCOCC3)c3ccccc3n21 ZINC000019757568 558274771 /nfs/dbraw/zinc/27/47/71/558274771.db2.gz GXEPLLLNRQXQLY-UHFFFAOYSA-N 1 2 422.916 4.144 50 0 HIAALO CCn1cc(C[N@@H+]2CCC[C@H]2C(=O)Nc2ccccc2Oc2cccnc2)c(C)n1 ZINC000011820673 558283884 /nfs/dbraw/zinc/28/38/84/558283884.db2.gz MDCZGWRRFPZSNR-NRFANRHFSA-N 1 2 405.502 4.002 50 0 HIAALO CCn1cc(C[N@H+]2CCC[C@H]2C(=O)Nc2ccccc2Oc2cccnc2)c(C)n1 ZINC000011820673 558283885 /nfs/dbraw/zinc/28/38/85/558283885.db2.gz MDCZGWRRFPZSNR-NRFANRHFSA-N 1 2 405.502 4.002 50 0 HIAALO O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019800392 558285334 /nfs/dbraw/zinc/28/53/34/558285334.db2.gz OYGJMUMMLLTOOT-UHFFFAOYSA-N 1 2 419.761 4.153 50 0 HIAALO CCCCc1ccc(NC(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c(C)c1 ZINC000019834886 558292371 /nfs/dbraw/zinc/29/23/71/558292371.db2.gz SZUWNAGOKFYWJH-UHFFFAOYSA-N 1 2 409.530 4.416 50 0 HIAALO Oc1ccccc1-c1nc2c3c4c(sc3ncn2n1)C[N@H+](Cc1ccccc1)CC4 ZINC000020131082 558337253 /nfs/dbraw/zinc/33/72/53/558337253.db2.gz DUNNHGLWUAQXIF-UHFFFAOYSA-N 1 2 413.506 4.270 50 0 HIAALO Oc1ccccc1-c1nc2c3c4c(sc3ncn2n1)C[N@@H+](Cc1ccccc1)CC4 ZINC000020131082 558337254 /nfs/dbraw/zinc/33/72/54/558337254.db2.gz DUNNHGLWUAQXIF-UHFFFAOYSA-N 1 2 413.506 4.270 50 0 HIAALO O=C(Nc1ccc(Br)c(Cl)c1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000020363603 558358177 /nfs/dbraw/zinc/35/81/77/558358177.db2.gz AQTHCUDIZXNIPS-UHFFFAOYSA-N 1 2 409.711 4.187 50 0 HIAALO Cc1sc(-c2ccc(F)cc2)nc1C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000020412630 558360926 /nfs/dbraw/zinc/36/09/26/558360926.db2.gz ZECLKTUIPUHWJC-UHFFFAOYSA-N 1 2 411.502 4.342 50 0 HIAALO Fc1cccc(CN(CCC[NH+]2CCOCC2)C(=S)Nc2cccc(Cl)c2)c1 ZINC000020437691 558363110 /nfs/dbraw/zinc/36/31/10/558363110.db2.gz ZHOJTBFQFQEDGH-UHFFFAOYSA-N 1 2 421.969 4.400 50 0 HIAALO Cc1cc(C[NH+]2CCC(n3nccc3NC(=O)Nc3ccccc3Cl)CC2)n[nH]1 ZINC000012317404 558380865 /nfs/dbraw/zinc/38/08/65/558380865.db2.gz ANVGHASPZCYWGR-UHFFFAOYSA-N 1 2 413.913 4.049 50 0 HIAALO O=C(CN1CC[NH+](C/C=C/c2ccccc2)CC1)Nc1c(Cl)cccc1Cl ZINC000020508718 558381652 /nfs/dbraw/zinc/38/16/52/558381652.db2.gz ABPIQCVNPJEPSK-VMPITWQZSA-N 1 2 404.341 4.263 50 0 HIAALO Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000020677744 558400341 /nfs/dbraw/zinc/40/03/41/558400341.db2.gz BJMYOBDNOYUWNU-UHFFFAOYSA-N 1 2 411.502 4.342 50 0 HIAALO CC[N@H+](CC(=O)NCCc1c[nH]c2ccccc12)Cc1ccc(Br)s1 ZINC000021584420 558442248 /nfs/dbraw/zinc/44/22/48/558442248.db2.gz FQBNDWPGRFJIBN-UHFFFAOYSA-N 1 2 420.376 4.173 50 0 HIAALO CC[N@@H+](CC(=O)NCCc1c[nH]c2ccccc12)Cc1ccc(Br)s1 ZINC000021584420 558442251 /nfs/dbraw/zinc/44/22/51/558442251.db2.gz FQBNDWPGRFJIBN-UHFFFAOYSA-N 1 2 420.376 4.173 50 0 HIAALO COc1ccc(Nc2ncc3c(n2)CC[N@@H+](Cc2ccccc2Cl)C3)c(OC)c1 ZINC000021639607 558444255 /nfs/dbraw/zinc/44/42/55/558444255.db2.gz HNRSLNJCWFWDPU-UHFFFAOYSA-N 1 2 410.905 4.449 50 0 HIAALO COc1ccc(Nc2ncc3c(n2)CC[N@H+](Cc2ccccc2Cl)C3)c(OC)c1 ZINC000021639607 558444256 /nfs/dbraw/zinc/44/42/56/558444256.db2.gz HNRSLNJCWFWDPU-UHFFFAOYSA-N 1 2 410.905 4.449 50 0 HIAALO CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCCC[N@H+](CC)c1ccccc1 ZINC000072067217 558447604 /nfs/dbraw/zinc/44/76/04/558447604.db2.gz UQVDYFWCLSQETF-HYBUGGRVSA-N 1 2 421.585 4.019 50 0 HIAALO CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCCC[N@@H+](CC)c1ccccc1 ZINC000072067217 558447606 /nfs/dbraw/zinc/44/76/06/558447606.db2.gz UQVDYFWCLSQETF-HYBUGGRVSA-N 1 2 421.585 4.019 50 0 HIAALO CC1CC[NH+](Cc2csc(NC(=O)COc3ccc(Br)cc3)n2)CC1 ZINC000012787847 558463578 /nfs/dbraw/zinc/46/35/78/558463578.db2.gz SBZKRLWWYQTAQH-UHFFFAOYSA-N 1 2 424.364 4.155 50 0 HIAALO Cc1cc(Br)ccc1NC(=O)C[N@@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000012995055 558498181 /nfs/dbraw/zinc/49/81/81/558498181.db2.gz QYGLJJCHNKVKNL-MRXNPFEDSA-N 1 2 423.376 4.439 50 0 HIAALO Cc1cc(Br)ccc1NC(=O)C[N@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000012995055 558498184 /nfs/dbraw/zinc/49/81/84/558498184.db2.gz QYGLJJCHNKVKNL-MRXNPFEDSA-N 1 2 423.376 4.439 50 0 HIAALO Cc1cc2oc(=O)cc(C[NH+]3CCN(Cc4ccc(Cl)s4)CC3)c2cc1C ZINC000022772345 558508799 /nfs/dbraw/zinc/50/87/99/558508799.db2.gz GAZMAMRLZZOTCX-UHFFFAOYSA-N 1 2 402.947 4.443 50 0 HIAALO Cc1cc2oc(=O)cc(CN3CC[NH+](Cc4ccc(Cl)s4)CC3)c2cc1C ZINC000022772345 558508802 /nfs/dbraw/zinc/50/88/02/558508802.db2.gz GAZMAMRLZZOTCX-UHFFFAOYSA-N 1 2 402.947 4.443 50 0 HIAALO S=c1[nH]c(-c2cccs2)nn1CN1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000022815403 558514411 /nfs/dbraw/zinc/51/44/11/558514411.db2.gz KKXQBOXIGCACIP-UHFFFAOYSA-N 1 2 405.980 4.098 50 0 HIAALO C[N@@H+]1C[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)c2cccnc2)[C@]12C(=O)Nc1ccccc12 ZINC000013627568 558551551 /nfs/dbraw/zinc/55/15/51/558551551.db2.gz RGIMYTPCYLFCQH-UTSGNWPNSA-N 1 2 417.896 4.111 50 0 HIAALO C[N@H+]1C[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)c2cccnc2)[C@]12C(=O)Nc1ccccc12 ZINC000013627568 558551554 /nfs/dbraw/zinc/55/15/54/558551554.db2.gz RGIMYTPCYLFCQH-UTSGNWPNSA-N 1 2 417.896 4.111 50 0 HIAALO O=C(Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)c1ccc(C(F)(F)F)nc1 ZINC000024828801 558614064 /nfs/dbraw/zinc/61/40/64/558614064.db2.gz QKXOBXKAPVOKOA-UHFFFAOYSA-N 1 2 418.444 4.368 50 0 HIAALO O=C(Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)c1ccc(C(F)(F)F)nc1 ZINC000024828801 558614066 /nfs/dbraw/zinc/61/40/66/558614066.db2.gz QKXOBXKAPVOKOA-UHFFFAOYSA-N 1 2 418.444 4.368 50 0 HIAALO C[N@H+](CC(=O)Nc1nccs1)Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000014185047 558630254 /nfs/dbraw/zinc/63/02/54/558630254.db2.gz AJJFTYOSMGRWBF-UHFFFAOYSA-N 1 2 406.305 4.236 50 0 HIAALO C[N@@H+](CC(=O)Nc1nccs1)Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000014185047 558630257 /nfs/dbraw/zinc/63/02/57/558630257.db2.gz AJJFTYOSMGRWBF-UHFFFAOYSA-N 1 2 406.305 4.236 50 0 HIAALO Cc1nc(CSc2ccccc2C(=O)Nc2cccc(Cn3cc[nH+]c3)c2)no1 ZINC000025178111 558633950 /nfs/dbraw/zinc/63/39/50/558633950.db2.gz WSZKLQWGWUMTJQ-UHFFFAOYSA-N 1 2 405.483 4.167 50 0 HIAALO Cc1cc2oc(C(=O)NC[C@H](c3ccccc3Cl)[NH+](C)C)cc(=O)c2cc1Cl ZINC000028289522 558696152 /nfs/dbraw/zinc/69/61/52/558696152.db2.gz AOFYYTNWMJDXAB-QGZVFWFLSA-N 1 2 419.308 4.441 50 0 HIAALO O=C([C@@H](Sc1ccccc1)c1ccccc1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000028693356 558703678 /nfs/dbraw/zinc/70/36/78/558703678.db2.gz DAXXMXFAAQVQQW-QHCPKHFHSA-N 1 2 403.551 4.259 50 0 HIAALO O[C@@H](CCc1ccccc1)C1CC[NH+](Cc2nc(Cc3ccccc3F)no2)CC1 ZINC000015069920 558712097 /nfs/dbraw/zinc/71/20/97/558712097.db2.gz CBZBKLOKPYWVFL-QFIPXVFZSA-N 1 2 409.505 4.005 50 0 HIAALO O=C(NCc1ccccc1Cn1cc[nH+]c1)c1cc2cc(Br)ccc2[nH]1 ZINC000029992215 558725636 /nfs/dbraw/zinc/72/56/36/558725636.db2.gz OPPBQMYPZGEPKB-UHFFFAOYSA-N 1 2 409.287 4.105 50 0 HIAALO Cc1c(C[NH2+]CC[N@@H+](C)Cc2ccccc2)c(C(=O)[O-])c(C)n1Cc1ccc(F)cc1 ZINC000022937792 558726054 /nfs/dbraw/zinc/72/60/54/558726054.db2.gz LLJQMAKLANJBNX-UHFFFAOYSA-N 1 2 423.532 4.212 50 0 HIAALO Cc1c(C[NH2+]CC[N@H+](C)Cc2ccccc2)c(C(=O)[O-])c(C)n1Cc1ccc(F)cc1 ZINC000022937792 558726056 /nfs/dbraw/zinc/72/60/56/558726056.db2.gz LLJQMAKLANJBNX-UHFFFAOYSA-N 1 2 423.532 4.212 50 0 HIAALO CNC(=O)NC(=O)CC[N@@H+]1C[C@H](c2ccccc2Cl)c2c3ccccc3[nH]c2[C@H]1C ZINC000034798117 558784247 /nfs/dbraw/zinc/78/42/47/558784247.db2.gz OYTUAYUBRPQQTH-RHSMWYFYSA-N 1 2 424.932 4.176 50 0 HIAALO CNC(=O)NC(=O)CC[N@H+]1C[C@H](c2ccccc2Cl)c2c3ccccc3[nH]c2[C@H]1C ZINC000034798117 558784248 /nfs/dbraw/zinc/78/42/48/558784248.db2.gz OYTUAYUBRPQQTH-RHSMWYFYSA-N 1 2 424.932 4.176 50 0 HIAALO COc1ccc(-c2[nH]n3cnc4nncc-4c3[nH+]2)cc1COc1ccc(Cl)c(C)c1 ZINC000017092451 558820956 /nfs/dbraw/zinc/82/09/56/558820956.db2.gz VBBMOBOZOPQREL-UHFFFAOYSA-N 1 2 420.860 4.217 50 0 HIAALO Brc1ccccc1OCc1ccc(-c2[nH]n3cnc4nncc-4c3[nH+]2)cc1 ZINC000017092575 558821132 /nfs/dbraw/zinc/82/11/32/558821132.db2.gz OTUIDVFAGCNCDG-UHFFFAOYSA-N 1 2 421.258 4.009 50 0 HIAALO COc1ccc(CCNc2[nH+]cnc3c2cnn3-c2ccc(C)c(Cl)c2)cc1OC ZINC000017120908 558823102 /nfs/dbraw/zinc/82/31/02/558823102.db2.gz QKTDLCYJISKTDS-UHFFFAOYSA-N 1 2 423.904 4.449 50 0 HIAALO O=C(c1c[nH+]c2ccc(F)cc2c1NCc1cc(F)cc(F)c1)N1CCSCC1 ZINC000072328501 558864098 /nfs/dbraw/zinc/86/40/98/558864098.db2.gz SJZBUYTXYMUDIC-UHFFFAOYSA-N 1 2 417.456 4.453 50 0 HIAALO CSc1nnc(C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)n1C[C@H]1CCCO1 ZINC000055575249 558882944 /nfs/dbraw/zinc/88/29/44/558882944.db2.gz XRAZFKREPUIVIZ-OAQYLSRUSA-N 1 2 408.571 4.478 50 0 HIAALO CSc1nnc(C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)n1C[C@H]1CCCO1 ZINC000055575249 558882946 /nfs/dbraw/zinc/88/29/46/558882946.db2.gz XRAZFKREPUIVIZ-OAQYLSRUSA-N 1 2 408.571 4.478 50 0 HIAALO Cc1ccc(Nc2nc(N3CCN(C(=O)Nc4ccccc4C)CC3)cc(C)[nH+]2)cc1 ZINC000064800290 558966018 /nfs/dbraw/zinc/96/60/18/558966018.db2.gz GUIGZUIXEQPDGB-UHFFFAOYSA-N 1 2 416.529 4.500 50 0 HIAALO c1coc(-c2c(-c3ccccc3)ncn2C[C@@H](c2ccncc2)[NH+]2CCOCC2)c1 ZINC000065451557 558977601 /nfs/dbraw/zinc/97/76/01/558977601.db2.gz UUMBUPHLFRETRM-NRFANRHFSA-N 1 2 400.482 4.279 50 0 HIAALO c1coc(-c2c(-c3ccccc3)ncn2C[C@H](c2ccncc2)[NH+]2CCOCC2)c1 ZINC000065451560 558977704 /nfs/dbraw/zinc/97/77/04/558977704.db2.gz UUMBUPHLFRETRM-OAQYLSRUSA-N 1 2 400.482 4.279 50 0 HIAALO O=C(Nc1ccc(Nc2cc(-n3cc[nH+]c3)ncn2)cc1)c1c(F)cccc1Cl ZINC000072436831 558980165 /nfs/dbraw/zinc/98/01/65/558980165.db2.gz AUCRNCQKSJQUFN-UHFFFAOYSA-N 1 2 408.824 4.451 50 0 HIAALO CCN(CC)C(=O)C[N@@H+]1CCc2onc(C(c3ccccc3)c3ccccc3)c2C1 ZINC000067833575 558993504 /nfs/dbraw/zinc/99/35/04/558993504.db2.gz ADNMXHKFELPMKE-UHFFFAOYSA-N 1 2 403.526 4.081 50 0 HIAALO CCN(CC)C(=O)C[N@H+]1CCc2onc(C(c3ccccc3)c3ccccc3)c2C1 ZINC000067833575 558993505 /nfs/dbraw/zinc/99/35/05/558993505.db2.gz ADNMXHKFELPMKE-UHFFFAOYSA-N 1 2 403.526 4.081 50 0 HIAALO NC(=O)c1c(NC(=O)/C=C\c2ccccc2)sc2c1CC[N@H+](Cc1ccccc1)C2 ZINC000023153823 559021845 /nfs/dbraw/zinc/02/18/45/559021845.db2.gz FUMUBRJPZZRNAG-QXMHVHEDSA-N 1 2 417.534 4.057 50 0 HIAALO NC(=O)c1c(NC(=O)/C=C\c2ccccc2)sc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000023153823 559021846 /nfs/dbraw/zinc/02/18/46/559021846.db2.gz FUMUBRJPZZRNAG-QXMHVHEDSA-N 1 2 417.534 4.057 50 0 HIAALO C[C@@H](NC(=O)C(C)(C)C)[C@H](c1cccs1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000023181323 559031393 /nfs/dbraw/zinc/03/13/93/559031393.db2.gz OMUDAJSPKIWIKL-OXQOHEQNSA-N 1 2 403.567 4.301 50 0 HIAALO Cc1c(Cl)cccc1NC(=S)N[C@H](C)[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000023182267 559031965 /nfs/dbraw/zinc/03/19/65/559031965.db2.gz KYVPUCRHAMYDNV-KDOFPFPSSA-N 1 2 410.008 4.458 50 0 HIAALO COc1ccccc1C[N@@H+]1CCc2nc(SCc3ccc(C)cc3)[nH]c(=O)c2C1 ZINC000033287265 559043941 /nfs/dbraw/zinc/04/39/41/559043941.db2.gz FMHKAPFRROTZCL-UHFFFAOYSA-N 1 2 407.539 4.350 50 0 HIAALO COc1ccccc1C[N@H+]1CCc2nc(SCc3ccc(C)cc3)[nH]c(=O)c2C1 ZINC000033287265 559043942 /nfs/dbraw/zinc/04/39/42/559043942.db2.gz FMHKAPFRROTZCL-UHFFFAOYSA-N 1 2 407.539 4.350 50 0 HIAALO CN(CCOc1ccc(-c2ccn(C(=O)c3cccs3)n2)cc1)c1cccc[nH+]1 ZINC000005680492 560779427 /nfs/dbraw/zinc/77/94/27/560779427.db2.gz FEGPALXBIQRTPX-UHFFFAOYSA-N 1 2 404.495 4.210 50 0 HIAALO CCN1CC[NH+](CCCN(Cc2ccco2)C(=S)Nc2ccccc2Cl)CC1 ZINC000101215845 560790030 /nfs/dbraw/zinc/79/00/30/560790030.db2.gz GGNPQNJDSXTQTD-UHFFFAOYSA-N 1 2 421.010 4.160 50 0 HIAALO CCCNc1cc(N2CCC[C@H](CCC(=O)N[C@H](C)c3ccc(F)cc3)C2)nc[nH+]1 ZINC000106482467 560892090 /nfs/dbraw/zinc/89/20/90/560892090.db2.gz GOKIRESWKHIIAD-QZTJIDSGSA-N 1 2 413.541 4.312 50 0 HIAALO CCCNc1cc(N2CCC[C@H](CCC(=O)N[C@H](C)c3ccc(F)cc3)C2)[nH+]cn1 ZINC000106482467 560892092 /nfs/dbraw/zinc/89/20/92/560892092.db2.gz GOKIRESWKHIIAD-QZTJIDSGSA-N 1 2 413.541 4.312 50 0 HIAALO O=C(Nc1nc(-c2ccc(F)cc2)cs1)[C@H](c1ccccc1)[N@@H+]1CCC[C@@H](O)C1 ZINC000107066945 560895174 /nfs/dbraw/zinc/89/51/74/560895174.db2.gz VHQQIUINQPIGMZ-QUCCMNQESA-N 1 2 411.502 4.086 50 0 HIAALO O=C(Nc1nc(-c2ccc(F)cc2)cs1)[C@H](c1ccccc1)[N@H+]1CCC[C@@H](O)C1 ZINC000107066945 560895175 /nfs/dbraw/zinc/89/51/75/560895175.db2.gz VHQQIUINQPIGMZ-QUCCMNQESA-N 1 2 411.502 4.086 50 0 HIAALO C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)[N@H+](C)Cc1ccccc1N1CCOCC1 ZINC000048342964 568440678 /nfs/dbraw/zinc/44/06/78/568440678.db2.gz KOUJHEBQFWRXPN-INIZCTEOSA-N 1 2 412.921 4.420 50 0 HIAALO C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)[N@@H+](C)Cc1ccccc1N1CCOCC1 ZINC000048342964 568440679 /nfs/dbraw/zinc/44/06/79/568440679.db2.gz KOUJHEBQFWRXPN-INIZCTEOSA-N 1 2 412.921 4.420 50 0 HIAALO CC1(C)Cc2cccc(OCC(=O)Nc3cccc4ccc(-n5cc[nH+]c5)nc43)c2O1 ZINC000049028017 568445680 /nfs/dbraw/zinc/44/56/80/568445680.db2.gz HXYAAEGMDKXUHY-UHFFFAOYSA-N 1 2 414.465 4.152 50 0 HIAALO CC(=O)c1cccc(NC(=O)C[NH+]2CCC(c3nc(-c4ccc(C)cc4)no3)CC2)c1 ZINC000049403271 568448192 /nfs/dbraw/zinc/44/81/92/568448192.db2.gz IGEOXYYFJDVEKR-UHFFFAOYSA-N 1 2 418.497 4.066 50 0 HIAALO O=C(C[NH+]1CCC(c2nc(-c3cccc(F)c3)no2)CC1)Nc1ccccc1Cl ZINC000049403360 568448221 /nfs/dbraw/zinc/44/82/21/568448221.db2.gz PTZRDSQCDFCHLG-UHFFFAOYSA-N 1 2 414.868 4.347 50 0 HIAALO O=C(C[NH+]1CCC2(CC1)CC(=O)c1ccccc1O2)Nc1cccc(C(F)(F)F)c1 ZINC000049597438 568452499 /nfs/dbraw/zinc/45/24/99/568452499.db2.gz ATPVMAQGCGXZKS-UHFFFAOYSA-N 1 2 418.415 4.144 50 0 HIAALO Nc1[nH+]cnc2c1c(-c1ccc(Cl)cc1)nn2-c1cccc(Br)c1 ZINC000215980485 568462829 /nfs/dbraw/zinc/46/28/29/568462829.db2.gz HFQPNDNWGHXKHQ-UHFFFAOYSA-N 1 2 400.667 4.481 50 0 HIAALO COc1ccc2c(CC(=O)N[C@@H](c3[nH+]ccn3C)c3ccc(Cl)cc3)coc2c1 ZINC000008156677 568491822 /nfs/dbraw/zinc/49/18/22/568491822.db2.gz LVDJYWLPVQVGBL-OAQYLSRUSA-N 1 2 409.873 4.277 50 0 HIAALO Fc1ccccc1-c1nnc(C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)o1 ZINC000020177870 568592894 /nfs/dbraw/zinc/59/28/94/568592894.db2.gz IHBPXJSQSDFIPX-UHFFFAOYSA-N 1 2 406.383 4.217 50 0 HIAALO COc1cccc(COc2cccc(Cl)c2C[NH2+][C@H](C)c2nnc3n2CCC3)c1 ZINC000095467777 568624942 /nfs/dbraw/zinc/62/49/42/568624942.db2.gz VNEQXLBWUWSJMK-OAHLLOKOSA-N 1 2 412.921 4.316 50 0 HIAALO COc1ccc(-c2noc([C@@H](c3cccc(Br)c3)[NH+]3CCCC3)n2)cn1 ZINC000225631049 568658493 /nfs/dbraw/zinc/65/84/93/568658493.db2.gz GJVXSZMZNAKCPX-QGZVFWFLSA-N 1 2 415.291 4.088 50 0 HIAALO Cn1nccc1[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1 ZINC000225632236 568658777 /nfs/dbraw/zinc/65/87/77/568658777.db2.gz NVKRBVZINXMSLQ-FQEVSTJZSA-N 1 2 420.561 4.069 50 0 HIAALO Cn1nccc1[C@@H]1CCCC[N@H+]1CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1 ZINC000225632236 568658780 /nfs/dbraw/zinc/65/87/80/568658780.db2.gz NVKRBVZINXMSLQ-FQEVSTJZSA-N 1 2 420.561 4.069 50 0 HIAALO Cc1cc(NC(=O)Cn2cc[nH+]c2-c2ccnc(Cl)c2)ccc1Br ZINC000095958433 568669588 /nfs/dbraw/zinc/66/95/88/568669588.db2.gz JZLYTHSVLPMPOI-UHFFFAOYSA-N 1 2 405.683 4.308 50 0 HIAALO O=C(NCCCCCc1[nH]c2ccccc2[nH+]1)c1cnc2ccc(Cl)cc2c1O ZINC000096118482 568698223 /nfs/dbraw/zinc/69/82/23/568698223.db2.gz SPKPTIMOZZVUFF-UHFFFAOYSA-N 1 2 408.889 4.201 50 0 HIAALO Cc1cn2c(C[NH+]3CCN(C(=O)c4ccccc4)CC3)c(-c3ccccc3)nc2s1 ZINC000096278365 568716757 /nfs/dbraw/zinc/71/67/57/568716757.db2.gz NIXSXGRZRJEDIP-UHFFFAOYSA-N 1 2 416.550 4.329 50 0 HIAALO Cc1ccc(-n2cc[nH+]c2N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)cc1 ZINC000012444681 568725696 /nfs/dbraw/zinc/72/56/96/568725696.db2.gz GMTUWQAKNGMQGR-UHFFFAOYSA-N 1 2 414.431 4.162 50 0 HIAALO CCc1[nH+]c([C@@H](C)CC)nc(N2CCN(C(=O)C3CC3)CC2)c1Cc1ccccc1F ZINC000096317212 568726387 /nfs/dbraw/zinc/72/63/87/568726387.db2.gz HQPYBRLEJWWVNA-KRWDZBQOSA-N 1 2 424.564 4.341 50 0 HIAALO Cc1cccc(Cc2c(C)[nH+]c(CC(C)C)nc2N2CCN(C(=O)C3CCC3)CC2)c1 ZINC000096317493 568726881 /nfs/dbraw/zinc/72/68/81/568726881.db2.gz XGCBVJCMTWKANB-UHFFFAOYSA-N 1 2 420.601 4.331 50 0 HIAALO CC[C@@H](C)c1nc(N2CCN(C(=O)C3CC3)CC2)c(Cc2cccc(C)c2)c(C)[nH+]1 ZINC000096317476 568726911 /nfs/dbraw/zinc/72/69/11/568726911.db2.gz MIJROKSLNVJJIL-GOSISDBHSA-N 1 2 406.574 4.256 50 0 HIAALO CCc1[nH+]c(CC(C)C)nc(N2CCN(C(=O)C(C)C)CC2)c1Cc1ccc(C)cc1 ZINC000096317609 568726959 /nfs/dbraw/zinc/72/69/59/568726959.db2.gz BANBGQKNYWSNEO-UHFFFAOYSA-N 1 2 422.617 4.441 50 0 HIAALO Cc1nc(N2CCN(C(=O)C3CCC3)CC2)c(Cc2ccccc2F)c(C(C)(C)C)[nH+]1 ZINC000096318066 568727028 /nfs/dbraw/zinc/72/70/28/568727028.db2.gz XSMCSBOZSOINCK-UHFFFAOYSA-N 1 2 424.564 4.261 50 0 HIAALO COc1ccccc1C[NH2+]Cc1nn(Cc2ccccc2F)nc1-c1ccccc1 ZINC000248129118 568747695 /nfs/dbraw/zinc/74/76/95/568747695.db2.gz JPGSHQAHUURUHO-UHFFFAOYSA-N 1 2 402.473 4.431 50 0 HIAALO O=C(Nc1cccc(Cl)c1)C1CC[NH+](Cc2noc(-c3ccc(F)cc3)n2)CC1 ZINC000021724247 568751008 /nfs/dbraw/zinc/75/10/08/568751008.db2.gz SRIPRMHZNRAPNU-UHFFFAOYSA-N 1 2 414.868 4.380 50 0 HIAALO Cc1nc(Nc2ccc(NC(=O)Nc3ccc(F)cc3)cc2)cc(N2CCOCC2)[nH+]1 ZINC000021795574 568753838 /nfs/dbraw/zinc/75/38/38/568753838.db2.gz RJPWLUKCEXIXJK-UHFFFAOYSA-N 1 2 422.464 4.148 50 0 HIAALO C[C@@H](NC(=O)c1ccccc1)[C@H](c1cccs1)[NH+]1CCN(Cc2ccccc2)CC1 ZINC000022460368 568768457 /nfs/dbraw/zinc/76/84/57/568768457.db2.gz NRFGFEROVBIHSJ-HYBUGGRVSA-N 1 2 419.594 4.426 50 0 HIAALO Cc1ccc(C[NH+]2CCN(C3=NC(=O)/C(=C/c4ccc(Cl)cc4)S3)CC2)cc1 ZINC000028296239 568784043 /nfs/dbraw/zinc/78/40/43/568784043.db2.gz FHIUZRNRRPHWRP-ZHZULCJRSA-N 1 2 411.958 4.437 50 0 HIAALO C[C@@H]1CN(C(=O)[C@H]2CCCN(c3[nH+]c4ccccc4n3C3CCCC3)C2)C[C@H](C)O1 ZINC000052709942 568821477 /nfs/dbraw/zinc/82/14/77/568821477.db2.gz CPCXZQNLFGGQDQ-OTWHNJEPSA-N 1 2 410.562 4.004 50 0 HIAALO O=C(NC[C@H](c1ccco1)[NH+]1CCN(c2ccccc2)CC1)OCc1ccccc1 ZINC000056945393 568821513 /nfs/dbraw/zinc/82/15/13/568821513.db2.gz RHDPXARHSBWBDU-JOCHJYFZSA-N 1 2 405.498 4.069 50 0 HIAALO Cc1cccc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCN(c3ccccc3F)CC2)c1 ZINC000056945941 568821779 /nfs/dbraw/zinc/82/17/79/568821779.db2.gz GLHVATNCSCZOFU-QFIPXVFZSA-N 1 2 407.489 4.020 50 0 HIAALO O=C(CCSc1ccc(Cl)cc1)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000029841224 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C[C@@H]1CN(C(=O)[C@@H]2CCCN(c3[nH+]c4ccccc4n3C3CCCC3)C2)C[C@@H](C)O1 ZINC000034906702 557473958 /nfs/dbraw/zinc/47/39/58/557473958.db2.gz CPCXZQNLFGGQDQ-GUDVDZBRSA-N 1 2 410.562 4.004 50 0 HIAALO COc1cc2c(cc1OC)[C@H](CNC(=O)c1ccco1)[N@H+](Cc1ccc(C)cc1)CC2 ZINC000034855732 557477263 /nfs/dbraw/zinc/47/72/63/557477263.db2.gz QVYYXYKJULTPMX-NRFANRHFSA-N 1 2 420.509 4.135 50 0 HIAALO COc1cc2c(cc1OC)[C@H](CNC(=O)c1ccco1)[N@@H+](Cc1ccc(C)cc1)CC2 ZINC000034855732 557477266 /nfs/dbraw/zinc/47/72/66/557477266.db2.gz QVYYXYKJULTPMX-NRFANRHFSA-N 1 2 420.509 4.135 50 0 HIAALO CN(CCOc1ccc(-c2ccn(C(=O)c3ccc(F)cc3)n2)cc1)c1cccc[nH+]1 ZINC000005659503 557666769 /nfs/dbraw/zinc/66/67/69/557666769.db2.gz DHMNHDWUIJBYKK-UHFFFAOYSA-N 1 2 416.456 4.288 50 0 HIAALO Cc1ccc(S(=O)(=O)NC[C@@H](c2ccsc2)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000022767463 557815214 /nfs/dbraw/zinc/81/52/14/557815214.db2.gz XYBIVPLFEBUTCA-QFIPXVFZSA-N 1 2 412.580 4.134 50 0 HIAALO Cc1ccc(S(=O)(=O)NC[C@@H](c2ccsc2)[N@H+]2CCc3ccccc3C2)cc1 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404.485 4.216 50 0 HIAALO O=C1CCCc2nc(N3CC[NH+](Cc4ccccc4)CC3)nc(Nc3ccccc3)c21 ZINC000020028217 558322749 /nfs/dbraw/zinc/32/27/49/558322749.db2.gz GAVWZRSKWXEFLU-UHFFFAOYSA-N 1 2 413.525 4.061 50 0 HIAALO CCc1ccc(-c2cc(C(=O)NCC[NH+]3CCOCC3)c3cc(Cl)ccc3n2)cc1 ZINC000020212662 558347752 /nfs/dbraw/zinc/34/77/52/558347752.db2.gz UZUOEHGMWRNFRC-UHFFFAOYSA-N 1 2 423.944 4.180 50 0 HIAALO COc1ccc(C[N@@H+]2CCCC[C@H]2C(=O)Nc2ccc(-n3cccn3)cc2)cc1F ZINC000012203969 558352291 /nfs/dbraw/zinc/35/22/91/558352291.db2.gz IVPHUIPNEILOGL-NRFANRHFSA-N 1 2 408.477 4.013 50 0 HIAALO COc1ccc(C[N@H+]2CCCC[C@H]2C(=O)Nc2ccc(-n3cccn3)cc2)cc1F ZINC000012203969 558352295 /nfs/dbraw/zinc/35/22/95/558352295.db2.gz IVPHUIPNEILOGL-NRFANRHFSA-N 1 2 408.477 4.013 50 0 HIAALO CC[N@@H+]1CCc2nc3sc(C(=O)Nc4cccc(Cl)c4C)c(N)c3cc2C1 ZINC000020289911 558353811 /nfs/dbraw/zinc/35/38/11/558353811.db2.gz OMPYHHDQMJFIRG-UHFFFAOYSA-N 1 2 400.935 4.471 50 0 HIAALO CC[N@H+]1CCc2nc3sc(C(=O)Nc4cccc(Cl)c4C)c(N)c3cc2C1 ZINC000020289911 558353815 /nfs/dbraw/zinc/35/38/15/558353815.db2.gz OMPYHHDQMJFIRG-UHFFFAOYSA-N 1 2 400.935 4.471 50 0 HIAALO c1ccc(COc2ccccc2OCC[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000020482118 558375273 /nfs/dbraw/zinc/37/52/73/558375273.db2.gz FEGFZIXNXSFDLW-UHFFFAOYSA-N 1 2 402.538 4.462 50 0 HIAALO CCc1[nH+]c(C)ccc1OCC(=O)N[C@@H]1CCCc2c1cnn2-c1cccc(C)c1C ZINC000012308797 558376932 /nfs/dbraw/zinc/37/69/32/558376932.db2.gz AAJFHRHGUGTARL-OAQYLSRUSA-N 1 2 418.541 4.328 50 0 HIAALO CCCn1c(C[NH+]2CCN(c3ccccc3)CC2)nc2cc(NC(=O)C(C)C)ccc21 ZINC000020622247 558394079 /nfs/dbraw/zinc/39/40/79/558394079.db2.gz JYPIMYSVWUWMNC-UHFFFAOYSA-N 1 2 419.573 4.363 50 0 HIAALO Cc1ccc(Cl)cc1-n1ncc2c1nc[nH+]c2N1CCN(c2ccccc2F)CC1 ZINC000020662160 558398099 /nfs/dbraw/zinc/39/80/99/558398099.db2.gz NZZJCBZFQBWGIT-UHFFFAOYSA-N 1 2 422.895 4.243 50 0 HIAALO COc1cc(Nc2ncc3c(n2)CC[N@@H+](Cc2cccc(Cl)c2)C3)cc(OC)c1 ZINC000021038676 558430066 /nfs/dbraw/zinc/43/00/66/558430066.db2.gz BRJSNAJDVGFJND-UHFFFAOYSA-N 1 2 410.905 4.449 50 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ZINC000021934929 558456199 /nfs/dbraw/zinc/45/61/99/558456199.db2.gz YLUIYAIEAFGCJB-UHFFFAOYSA-N 1 2 414.505 4.277 50 0 HIAALO C[C@@]1(c2ccccc2)NC(=O)N(C[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2)C1=O ZINC000012799262 558471078 /nfs/dbraw/zinc/47/10/78/558471078.db2.gz NWZBGHKLCRFKDI-URXFXBBRSA-N 1 2 417.534 4.120 50 0 HIAALO C[C@@]1(c2ccccc2)NC(=O)N(C[N@H+]2CCc3sccc3[C@@H]2c2ccccc2)C1=O ZINC000012799262 558471080 /nfs/dbraw/zinc/47/10/80/558471080.db2.gz NWZBGHKLCRFKDI-URXFXBBRSA-N 1 2 417.534 4.120 50 0 HIAALO Cc1cc(NC(=O)C[N@@H+](Cc2cccs2)C[C@@H]2CCCO2)ccc1Br ZINC000012997473 558499074 /nfs/dbraw/zinc/49/90/74/558499074.db2.gz VIXVSVYKTMZJMR-INIZCTEOSA-N 1 2 423.376 4.439 50 0 HIAALO Cc1cc(NC(=O)C[N@H+](Cc2cccs2)C[C@@H]2CCCO2)ccc1Br ZINC000012997473 558499075 /nfs/dbraw/zinc/49/90/75/558499075.db2.gz VIXVSVYKTMZJMR-INIZCTEOSA-N 1 2 423.376 4.439 50 0 HIAALO COc1cccc(C[N@H+](C)CC(=O)N2CC[C@H](C)Sc3ccccc32)c1OC ZINC000013058218 558509149 /nfs/dbraw/zinc/50/91/49/558509149.db2.gz ZRXBOXPPPLWXKC-INIZCTEOSA-N 1 2 400.544 4.053 50 0 HIAALO COc1cccc(C[N@@H+](C)CC(=O)N2CC[C@H](C)Sc3ccccc32)c1OC ZINC000013058218 558509150 /nfs/dbraw/zinc/50/91/50/558509150.db2.gz ZRXBOXPPPLWXKC-INIZCTEOSA-N 1 2 400.544 4.053 50 0 HIAALO O=C(NCc1ccccc1C[NH+]1CCOCC1)c1ccccc1Nc1ccccc1 ZINC000023873090 558578896 /nfs/dbraw/zinc/57/88/96/558578896.db2.gz GUPLTXKWCRBIBA-UHFFFAOYSA-N 1 2 401.510 4.192 50 0 HIAALO S=C(Nc1ccc(Cl)cc1Cl)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000013881900 558599915 /nfs/dbraw/zinc/59/99/15/558599915.db2.gz QZUHQQRQSAMJQW-UHFFFAOYSA-N 1 2 424.353 4.237 50 0 HIAALO COc1ccc(C[NH+]2CCN(C(=O)c3ccc(-c4ccccc4F)o3)CC2)cc1OC ZINC000024600861 558602171 /nfs/dbraw/zinc/60/21/71/558602171.db2.gz UJHSHYXILGDKEH-UHFFFAOYSA-N 1 2 424.472 4.061 50 0 HIAALO O=C(c1ccc2c(c1)OCCO2)C1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000025063931 558629901 /nfs/dbraw/zinc/62/99/01/558629901.db2.gz KVJPCZUIWOAXRO-UHFFFAOYSA-N 1 2 416.315 4.315 50 0 HIAALO Cn1cc(C(=O)N2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)c2ccccc21 ZINC000025106053 558631840 /nfs/dbraw/zinc/63/18/40/558631840.db2.gz AZUBRLBYKXXUIU-UHFFFAOYSA-N 1 2 401.432 4.155 50 0 HIAALO C[N@H+](CN1C(=O)NC2(CCCCCC2)C1=O)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000014238830 558642774 /nfs/dbraw/zinc/64/27/74/558642774.db2.gz SKEDAISGZBGMIE-OAQYLSRUSA-N 1 2 409.505 4.449 50 0 HIAALO C[N@@H+](CN1C(=O)NC2(CCCCCC2)C1=O)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000014238830 558642777 /nfs/dbraw/zinc/64/27/77/558642777.db2.gz SKEDAISGZBGMIE-OAQYLSRUSA-N 1 2 409.505 4.449 50 0 HIAALO O=C(c1sccc1-c1ccccc1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000026538512 558662799 /nfs/dbraw/zinc/66/27/99/558662799.db2.gz CVCIZGDTHOMQDJ-UHFFFAOYSA-N 1 2 406.507 4.102 50 0 HIAALO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)Nc3cc(OC)c(OC)cc3C)c2C1 ZINC000014713299 558664741 /nfs/dbraw/zinc/66/47/41/558664741.db2.gz XSFUBIJQSYOQTO-UHFFFAOYSA-N 1 2 405.498 4.191 50 0 HIAALO CC[N@H+]1CCc2nc3ccccc3c(C(=O)Nc3cc(OC)c(OC)cc3C)c2C1 ZINC000014713299 558664743 /nfs/dbraw/zinc/66/47/43/558664743.db2.gz XSFUBIJQSYOQTO-UHFFFAOYSA-N 1 2 405.498 4.191 50 0 HIAALO CCc1nn2c(nc(C[NH2+][C@H](c3cccs3)c3ccc4c(c3)CCC4)cc2=O)s1 ZINC000028651054 558703076 /nfs/dbraw/zinc/70/30/76/558703076.db2.gz SDXFLVAVZRIKSB-NRFANRHFSA-N 1 2 422.579 4.143 50 0 HIAALO O=C(c1cccc2ncccc21)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000030125531 558727202 /nfs/dbraw/zinc/72/72/02/558727202.db2.gz MYNBIEQYQYZNIK-UHFFFAOYSA-N 1 2 415.415 4.091 50 0 HIAALO CC(=O)c1c[nH]c(C(=O)N2CC[NH+](Cc3ccc(-c4cccc(F)c4)s3)CC2)c1 ZINC000030181286 558727859 /nfs/dbraw/zinc/72/78/59/558727859.db2.gz CUYQMQWYJONVFN-UHFFFAOYSA-N 1 2 411.502 4.043 50 0 HIAALO Cc1cc(Cl)ccc1-n1ncc2c1nc[nH+]c2N1CCN(c2ccc(F)cc2)CC1 ZINC000015880922 558760314 /nfs/dbraw/zinc/76/03/14/558760314.db2.gz GZMJNXXSXLOESV-UHFFFAOYSA-N 1 2 422.895 4.243 50 0 HIAALO COc1ccc(NC(=O)[C@@H](c2cccc(Br)c2)[NH+]2CCCC2)c(OC)c1 ZINC000072308009 558768300 /nfs/dbraw/zinc/76/83/00/558768300.db2.gz HOPNTOUWYUEOEV-LJQANCHMSA-N 1 2 419.319 4.242 50 0 HIAALO COc1ccc(-c2nc(C[N@H+](C)CCOc3ccccc3F)cs2)cc1OC ZINC000016422810 558790751 /nfs/dbraw/zinc/79/07/51/558790751.db2.gz GDAIZXYAWOINDM-UHFFFAOYSA-N 1 2 402.491 4.477 50 0 HIAALO COc1ccc(-c2nc(C[N@@H+](C)CCOc3ccccc3F)cs2)cc1OC ZINC000016422810 558790754 /nfs/dbraw/zinc/79/07/54/558790754.db2.gz GDAIZXYAWOINDM-UHFFFAOYSA-N 1 2 402.491 4.477 50 0 HIAALO O=C(Nc1ccc(Br)cc1)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000017088098 558817059 /nfs/dbraw/zinc/81/70/59/558817059.db2.gz MIKYHOBYHOQLFV-UHFFFAOYSA-N 1 2 408.727 4.452 50 0 HIAALO CSc1ccc(CNC(=O)[C@@H]2CCCN(c3[nH]c4ccc(Cl)cc4[nH+]3)C2)cc1 ZINC000033071573 558866538 /nfs/dbraw/zinc/86/65/38/558866538.db2.gz MCODRIGQRUZTJM-OAHLLOKOSA-N 1 2 414.962 4.471 50 0 HIAALO OC1C2(c3ccccc3)CN3CC1(c1ccccc1)C[NH+](C2)C3c1c[nH]c2ccccc21 ZINC000019325578 558867824 /nfs/dbraw/zinc/86/78/24/558867824.db2.gz KNWYJGBMRFNGHW-UHFFFAOYSA-N 1 2 421.544 4.048 50 0 HIAALO O=C(c1cccc(F)c1)N1CCN(c2[nH+]c3ccccc3n2Cc2ccccc2)CC1 ZINC000033106726 558874439 /nfs/dbraw/zinc/87/44/39/558874439.db2.gz CQHQWHJDTUGEMY-UHFFFAOYSA-N 1 2 414.484 4.186 50 0 HIAALO Cc1cc(C)n(-c2ccc(C(=O)NC[C@H](c3c(F)cccc3Cl)[NH+](C)C)cc2)n1 ZINC000058160455 558905041 /nfs/dbraw/zinc/90/50/41/558905041.db2.gz MRIQMRTYRWVQHE-HXUWFJFHSA-N 1 2 414.912 4.314 50 0 HIAALO O=C(C[N@@H+]1CCCC[C@H]1c1nc2ccccc2s1)N1CCC(c2ccccc2)=N1 ZINC000058160557 558905121 /nfs/dbraw/zinc/90/51/21/558905121.db2.gz QKMDPEDWNVUFIW-FQEVSTJZSA-N 1 2 404.539 4.460 50 0 HIAALO O=C(C[N@H+]1CCCC[C@H]1c1nc2ccccc2s1)N1CCC(c2ccccc2)=N1 ZINC000058160557 558905123 /nfs/dbraw/zinc/90/51/23/558905123.db2.gz QKMDPEDWNVUFIW-FQEVSTJZSA-N 1 2 404.539 4.460 50 0 HIAALO CCS(=O)(=O)c1ccc2oc(SCc3cn4cc(Cl)ccc4[nH+]3)nc2c1 ZINC000043681740 558928237 /nfs/dbraw/zinc/92/82/37/558928237.db2.gz LADVIWKGFFXKKL-UHFFFAOYSA-N 1 2 407.904 4.215 50 0 HIAALO COc1ccc(Cc2nc3ccc(C(=O)N(Cc4[nH+]ccn4C)C(C)C)cc3o2)cc1 ZINC000067727310 558992116 /nfs/dbraw/zinc/99/21/16/558992116.db2.gz HJWMLPAXXGCLPJ-UHFFFAOYSA-N 1 2 418.497 4.212 50 0 HIAALO CC(C)Oc1ccc(C(=O)NC[C@H](c2cccc3ccccc32)[NH+]2CCOCC2)cc1 ZINC000023106381 559010111 /nfs/dbraw/zinc/01/01/11/559010111.db2.gz HIIMQJFBQHGBGG-RUZDIDTESA-N 1 2 418.537 4.430 50 0 HIAALO CCOc1ccc(C(=O)NC[C@@H](c2cccc3ccccc32)[NH+]2CCOCC2)cc1 ZINC000023106467 559010115 /nfs/dbraw/zinc/01/01/15/559010115.db2.gz QWXDSNCPGLDSGR-DEOSSOPVSA-N 1 2 404.510 4.042 50 0 HIAALO C[C@@H](NC(=O)C(C)(C)C)[C@@H](c1cccs1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000023181331 559031376 /nfs/dbraw/zinc/03/13/76/559031376.db2.gz OMUDAJSPKIWIKL-UZLBHIALSA-N 1 2 403.567 4.301 50 0 HIAALO Cc1cccc(NC(=O)Nc2ccc(Nc3cc(N4CCOCC4)[nH+]c(C)n3)cc2)c1 ZINC000033318588 559056080 /nfs/dbraw/zinc/05/60/80/559056080.db2.gz OILVMKOQRFCYAM-UHFFFAOYSA-N 1 2 418.501 4.318 50 0 HIAALO COc1ccc([C@H]2C(C(=O)N3CCCCC3)=C(C)Nc3[nH+]c4ccccc4n32)cc1 ZINC000004786901 559063991 /nfs/dbraw/zinc/06/39/91/559063991.db2.gz RTDGSQQVSUMGIH-QFIPXVFZSA-N 1 2 402.498 4.346 50 0 HIAALO Cc1ccccc1C[NH+]1CCN(c2cc(C(=O)OCc3cccs3)ccn2)CC1 ZINC000072307778 559158811 /nfs/dbraw/zinc/15/88/11/559158811.db2.gz HGHKFTXFPXCYOE-UHFFFAOYSA-N 1 2 407.539 4.131 50 0 HIAALO CC(=O)N(c1nc(CSc2[nH+]cnc3c2cnn3C)cs1)c1ccc(C)cc1C ZINC000011683231 559176926 /nfs/dbraw/zinc/17/69/26/559176926.db2.gz DYLVECOZYWHASX-UHFFFAOYSA-N 1 2 424.555 4.414 50 0 HIAALO COc1ccccc1NC(=O)CSc1ccc(-c2ccc(-n3cc[nH+]c3)cc2)nn1 ZINC000005143158 559252059 /nfs/dbraw/zinc/25/20/59/559252059.db2.gz GYCYSGNSMBGLIU-UHFFFAOYSA-N 1 2 417.494 4.069 50 0 HIAALO O[C@]1(C(F)(F)F)C=C(c2ccccn2)[NH2+]N1c1nc(-c2ccc(F)cc2)cs1 ZINC000005242823 560549837 /nfs/dbraw/zinc/54/98/37/560549837.db2.gz HCAYPSYEUDIIHK-KRWDZBQOSA-N 1 2 408.380 4.210 50 0 HIAALO COc1ccccc1/N=c1\scc(-c2cccs2)n1CCC[NH+]1CCOCC1 ZINC000005299064 560563964 /nfs/dbraw/zinc/56/39/64/560563964.db2.gz LQQSVJVDGFFCPP-DQRAZIAOSA-N 1 2 415.584 4.241 50 0 HIAALO CCc1ccc(NC(=O)CSc2[nH+]cnc3c2cnn3Cc2ccccc2)cc1 ZINC000005478312 560595121 /nfs/dbraw/zinc/59/51/21/560595121.db2.gz VLKURGOYLIFTBE-UHFFFAOYSA-N 1 2 403.511 4.168 50 0 HIAALO Cc1ccc(-c2nc(CC(=O)N[C@H](c3[nH+]ccn3C)c3ccccc3F)cs2)cc1 ZINC000018237356 560785319 /nfs/dbraw/zinc/78/53/19/560785319.db2.gz NQFAEKKDJSWKQZ-NRFANRHFSA-N 1 2 420.513 4.439 50 0 HIAALO Cc1cc(Cl)cc(C)c1OCC(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000018236271 560785360 /nfs/dbraw/zinc/78/53/60/560785360.db2.gz CNKGFEOBOQXTOZ-LJQANCHMSA-N 1 2 401.869 4.114 50 0 HIAALO COc1cccc(NC(=O)c2ccc(C[NH+]3CCN(Cc4ccccc4)CC3)cc2)c1 ZINC000020241810 560883246 /nfs/dbraw/zinc/88/32/46/560883246.db2.gz LPKHVAZVSHKFOO-UHFFFAOYSA-N 1 2 415.537 4.265 50 0 HIAALO C[C@@H]1C[N@@H+]([C@H](CNC(=O)CCCc2ccc(Cl)cc2)c2cccs2)CCO1 ZINC000107358040 560896253 /nfs/dbraw/zinc/89/62/53/560896253.db2.gz JXPZEKXJPLPSJA-VQIMIIECSA-N 1 2 406.979 4.302 50 0 HIAALO C[C@@H]1C[N@H+]([C@H](CNC(=O)CCCc2ccc(Cl)cc2)c2cccs2)CCO1 ZINC000107358040 560896254 /nfs/dbraw/zinc/89/62/54/560896254.db2.gz JXPZEKXJPLPSJA-VQIMIIECSA-N 1 2 406.979 4.302 50 0 HIAALO O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)Nc1ccc(-n2cccn2)c(F)c1 ZINC000047781014 568431244 /nfs/dbraw/zinc/43/12/44/568431244.db2.gz GFMNJASXWUKPTN-UHFFFAOYSA-N 1 2 408.481 4.109 50 0 HIAALO O=C(C[N@@H+]1CCC[C@@H]1c1nnc2ccccn21)N(c1ccccc1)C1CCCCC1 ZINC000048314421 568437961 /nfs/dbraw/zinc/43/79/61/568437961.db2.gz FGVJABSIOZQIPS-OAQYLSRUSA-N 1 2 403.530 4.232 50 0 HIAALO O=C(C[N@H+]1CCC[C@@H]1c1nnc2ccccn21)N(c1ccccc1)C1CCCCC1 ZINC000048314421 568437962 /nfs/dbraw/zinc/43/79/62/568437962.db2.gz FGVJABSIOZQIPS-OAQYLSRUSA-N 1 2 403.530 4.232 50 0 HIAALO O=S(=O)(CC[N@H+]1CCC[C@H]1c1ccc(O)cc1)c1cc(Cl)ccc1Cl ZINC000048324773 568438451 /nfs/dbraw/zinc/43/84/51/568438451.db2.gz PDXLPIBIRQPDBM-KRWDZBQOSA-N 1 2 400.327 4.310 50 0 HIAALO O=S(=O)(CC[N@@H+]1CCC[C@H]1c1ccc(O)cc1)c1cc(Cl)ccc1Cl ZINC000048324773 568438453 /nfs/dbraw/zinc/43/84/53/568438453.db2.gz PDXLPIBIRQPDBM-KRWDZBQOSA-N 1 2 400.327 4.310 50 0 HIAALO Cc1ccc2nc(NC(=O)C[NH+]3CCC(c4nnc(-c5ccco5)o4)CC3)sc2c1 ZINC000049372033 568447247 /nfs/dbraw/zinc/44/72/47/568447247.db2.gz FASQRTZWLPXRFC-UHFFFAOYSA-N 1 2 423.498 4.066 50 0 HIAALO COc1ccc(C)cc1NC(=O)C[NH+]1CCC(c2nc(-c3cccc(C)c3)no2)CC1 ZINC000049403214 568448218 /nfs/dbraw/zinc/44/82/18/568448218.db2.gz ULLZAIURAOUWMP-UHFFFAOYSA-N 1 2 420.513 4.180 50 0 HIAALO Cc1ccc(F)cc1NC(=O)C[NH+]1CCC(c2nc(-c3cccc(F)c3)no2)CC1 ZINC000049403373 568448384 /nfs/dbraw/zinc/44/83/84/568448384.db2.gz FRJHHNZRBIEOCS-UHFFFAOYSA-N 1 2 412.440 4.141 50 0 HIAALO CC[C@@H]1C[N@H+](CC(=O)N2CCC(c3ccncc3)CC2)Cc2ccc(Cl)cc2O1 ZINC000012248160 568455836 /nfs/dbraw/zinc/45/58/36/568455836.db2.gz VYSJNDUIIUEELD-OAQYLSRUSA-N 1 2 413.949 4.114 50 0 HIAALO CC[C@@H]1C[N@@H+](CC(=O)N2CCC(c3ccncc3)CC2)Cc2ccc(Cl)cc2O1 ZINC000012248160 568455838 /nfs/dbraw/zinc/45/58/38/568455838.db2.gz VYSJNDUIIUEELD-OAQYLSRUSA-N 1 2 413.949 4.114 50 0 HIAALO COc1ccc(Cl)cc1NC(=O)[C@H](C)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000022918601 568500634 /nfs/dbraw/zinc/50/06/34/568500634.db2.gz WQHMRUFUNXKMIQ-HNNXBMFYSA-N 1 2 422.356 4.147 50 0 HIAALO COc1cc(C)c(S(=O)(=O)Nc2cccc3c2C[N@H+](CCC(C)C)C3)cc1OC ZINC000095466366 568624342 /nfs/dbraw/zinc/62/43/42/568624342.db2.gz PXFHXXCRIZJHGN-UHFFFAOYSA-N 1 2 418.559 4.175 50 0 HIAALO COc1cc(C)c(S(=O)(=O)Nc2cccc3c2C[N@@H+](CCC(C)C)C3)cc1OC ZINC000095466366 568624345 /nfs/dbraw/zinc/62/43/45/568624345.db2.gz PXFHXXCRIZJHGN-UHFFFAOYSA-N 1 2 418.559 4.175 50 0 HIAALO Fc1cc(CN2CCc3c([nH+]cn3CCc3ccccc3)C2)ccc1OC(F)F ZINC000095468663 568625298 /nfs/dbraw/zinc/62/52/98/568625298.db2.gz RZQMZSUJOFBVHW-UHFFFAOYSA-N 1 2 401.432 4.425 50 0 HIAALO O=C(NCCCSC1CCCCC1)[C@@H]1CCCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000021159178 568674016 /nfs/dbraw/zinc/67/40/16/568674016.db2.gz OVULJIJISYHDOM-QGZVFWFLSA-N 1 2 400.592 4.352 50 0 HIAALO O=C(NCCCSC1CCCCC1)C1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000021158624 568674154 /nfs/dbraw/zinc/67/41/54/568674154.db2.gz GCZBMGFJNNTZJW-UHFFFAOYSA-N 1 2 400.592 4.352 50 0 HIAALO Cc1ccc(C)c(Cn2c3ccccc3[nH+]c2N2CCC(C(=O)NC(C)C)CC2)c1 ZINC000021159624 568674424 /nfs/dbraw/zinc/67/44/24/568674424.db2.gz UYEBLYOBDHTGDB-UHFFFAOYSA-N 1 2 404.558 4.442 50 0 HIAALO Cc1cc(S(=O)(=O)N(Cc2c[nH+]c3ccccn23)C2CC2)c(Cl)cc1Cl ZINC000096097145 568689252 /nfs/dbraw/zinc/68/92/52/568689252.db2.gz BNGIPMPXTBMFGA-UHFFFAOYSA-N 1 2 410.326 4.303 50 0 HIAALO CCNC(=O)N1CCN(c2nc([C@H](C)CC)[nH+]c(C)c2Cc2cc(C)ccc2C)CC1 ZINC000096316783 568725752 /nfs/dbraw/zinc/72/57/52/568725752.db2.gz VSWWGUPWEVBQDG-GOSISDBHSA-N 1 2 423.605 4.358 50 0 HIAALO CCC(=O)N1CCN(c2nc([C@H](C)CC)[nH+]c(CC)c2Cc2ccccc2F)CC1 ZINC000096317211 568726382 /nfs/dbraw/zinc/72/63/82/568726382.db2.gz STHLAHOYVYUNAX-QGZVFWFLSA-N 1 2 412.553 4.341 50 0 HIAALO COc1ccc(NC(=O)c2ccccc2NC(=O)C[N@H+](C)Cc2ccc(F)cc2)cc1 ZINC000018905944 568742621 /nfs/dbraw/zinc/74/26/21/568742621.db2.gz SYZZBDBWEKDFCJ-UHFFFAOYSA-N 1 2 421.472 4.157 50 0 HIAALO COc1ccc(NC(=O)c2ccccc2NC(=O)C[N@@H+](C)Cc2ccc(F)cc2)cc1 ZINC000018905944 568742622 /nfs/dbraw/zinc/74/26/22/568742622.db2.gz SYZZBDBWEKDFCJ-UHFFFAOYSA-N 1 2 421.472 4.157 50 0 HIAALO Cc1ccc(-c2nc(C[NH+]3CCC(C(=O)Nc4ccc(F)cc4F)CC3)no2)cc1 ZINC000021724431 568751019 /nfs/dbraw/zinc/75/10/19/568751019.db2.gz HAIDLVSUDQESJU-UHFFFAOYSA-N 1 2 412.440 4.174 50 0 HIAALO CC[C@H](C)c1ccc(NC(=O)C[NH+]2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000096791820 568764750 /nfs/dbraw/zinc/76/47/50/568764750.db2.gz NXUMENAUBDEPHX-INIZCTEOSA-N 1 2 420.479 4.375 50 0 HIAALO Cc1cccc(C(=O)NC[C@H](c2ccco2)[NH+]2CCN(c3ccccc3F)CC2)c1 ZINC000056945944 568821675 /nfs/dbraw/zinc/82/16/75/568821675.db2.gz GLHVATNCSCZOFU-JOCHJYFZSA-N 1 2 407.489 4.020 50 0 HIAALO O=c1cc(C[NH+]2CCN(c3ccccc3)CC2)occ1OCc1ccccc1Cl ZINC000056949969 568822206 /nfs/dbraw/zinc/82/22/06/568822206.db2.gz MPGQVFDEXOKALX-UHFFFAOYSA-N 1 2 410.901 4.194 50 0 HIAALO O=C1NC2(CCCCCC2)C(=O)N1C[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000057270703 568825458 /nfs/dbraw/zinc/82/54/58/568825458.db2.gz YPLBEKGKAOPZLK-UHFFFAOYSA-N 1 2 412.559 4.078 50 0 HIAALO O=C(NCc1noc(C[NH2+][C@@H](Cc2ccccc2)c2ccccc2)n1)c1ccccc1 ZINC000029528445 568827553 /nfs/dbraw/zinc/82/75/53/568827553.db2.gz URQVOWDXJMMTCX-QFIPXVFZSA-N 1 2 412.493 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O=C(Nc1nc(-c2ccc(F)cc2)cs1)[C@H](c1ccccc1)[N@@H+]1CCC[C@H](O)C1 ZINC000078970734 569422434 /nfs/dbraw/zinc/42/24/34/569422434.db2.gz VHQQIUINQPIGMZ-ICSRJNTNSA-N 1 2 411.502 4.086 50 0 HIAALO O=C(Nc1nc(-c2ccc(F)cc2)cs1)[C@H](c1ccccc1)[N@H+]1CCC[C@H](O)C1 ZINC000078970734 569422435 /nfs/dbraw/zinc/42/24/35/569422435.db2.gz VHQQIUINQPIGMZ-ICSRJNTNSA-N 1 2 411.502 4.086 50 0 HIAALO O=C(Nc1cc(C(F)(F)F)ccc1-n1cccn1)N[C@@H]1CCC[C@H]1n1cc[nH+]c1 ZINC000078992995 569423085 /nfs/dbraw/zinc/42/30/85/569423085.db2.gz BYSDLYVTSCOPHK-GDBMZVCRSA-N 1 2 404.396 4.003 50 0 HIAALO C[C@@H](NC(=O)[C@@H](C)[N@H+](C)CC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000008747842 571111246 /nfs/dbraw/zinc/11/12/46/571111246.db2.gz DSDICKALNCGPQG-ZIAGYGMSSA-N 1 2 408.329 4.130 50 0 HIAALO C[C@@H](NC(=O)[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000008747842 571111250 /nfs/dbraw/zinc/11/12/50/571111250.db2.gz DSDICKALNCGPQG-ZIAGYGMSSA-N 1 2 408.329 4.130 50 0 HIAALO 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/nfs/dbraw/zinc/25/58/46/571255846.db2.gz NYUKZXDFNKODIC-UHFFFAOYSA-N 1 2 423.904 4.200 50 0 HIAALO CCOc1ccc(NC(=O)CSc2[nH+]cnc3c2cnn3-c2ccc(F)cc2)cc1 ZINC000009517634 571265245 /nfs/dbraw/zinc/26/52/45/571265245.db2.gz BDSPQUWTGMJZGF-UHFFFAOYSA-N 1 2 423.473 4.084 50 0 HIAALO CN(C(=O)CSc1nnc(C[NH+]2CCCCC2)n1-c1ccccc1)c1ccccc1 ZINC000009877973 571289360 /nfs/dbraw/zinc/28/93/60/571289360.db2.gz MYBCBYWILJRJJU-UHFFFAOYSA-N 1 2 421.570 4.008 50 0 HIAALO CC(=O)Nc1sc2c(c1C[NH+]1CCN(C/C=C\c3ccccc3)CC1)CCCC2 ZINC000033470874 848135224 /nfs/dbraw/zinc/13/52/24/848135224.db2.gz VOSWPPLEAVMJBE-YFHOEESVSA-N 1 2 409.599 4.416 50 0 HIAALO O=C(/C=C\c1cc(Br)ccc1F)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000053896756 849774251 /nfs/dbraw/zinc/77/42/51/849774251.db2.gz JZHVONSINIPDFW-YVMONPNESA-N 1 2 414.278 4.163 50 0 HIAALO COC(=O)[C@@H]1CCC[N@@H+]1Cc1cn(-c2ccccc2C)nc1-c1ccc(OC)c(F)c1 ZINC000055211180 849988224 /nfs/dbraw/zinc/98/82/24/849988224.db2.gz HGTXSYCDXFLHAZ-NRFANRHFSA-N 1 2 423.488 4.133 50 0 HIAALO COC(=O)[C@@H]1CCC[N@H+]1Cc1cn(-c2ccccc2C)nc1-c1ccc(OC)c(F)c1 ZINC000055211180 849988232 /nfs/dbraw/zinc/98/82/32/849988232.db2.gz HGTXSYCDXFLHAZ-NRFANRHFSA-N 1 2 423.488 4.133 50 0 HIAALO O=C(/C=C/c1ccc(Br)s1)N[C@@H](Cc1[nH]cc[nH+]1)c1ccccc1 ZINC000089826417 852544833 /nfs/dbraw/zinc/54/48/33/852544833.db2.gz AVZZFBXYQZFAKN-HEWZJLJBSA-N 1 2 402.317 4.347 50 0 HIAALO Cc1ccc2c(c1)C[N@@H+](CC(=O)NCc1ncccc1C)C[C@H](c1ccsc1)O2 ZINC000299760291 854280587 /nfs/dbraw/zinc/28/05/87/854280587.db2.gz FIYNRJXESDZFMO-JOCHJYFZSA-N 1 2 407.539 4.012 50 0 HIAALO Cc1ccc2c(c1)C[N@H+](CC(=O)NCc1ncccc1C)C[C@H](c1ccsc1)O2 ZINC000299760291 854280593 /nfs/dbraw/zinc/28/05/93/854280593.db2.gz FIYNRJXESDZFMO-JOCHJYFZSA-N 1 2 407.539 4.012 50 0 HIAALO COc1ccc(CNC(=O)N2CCC(n3c(C)c[nH+]c3-c3ccccc3)CC2)cc1 ZINC000575548156 948676212 /nfs/dbraw/zinc/67/62/12/948676212.db2.gz AGDRUQSXBOGHAQ-UHFFFAOYSA-N 1 2 404.514 4.414 50 0 HIAALO O=C(NCCc1ccccc1)N1CCC2(CC1)C[C@@H](CCOc1cc[nH+]cc1)CCO2 ZINC000575552549 948680350 /nfs/dbraw/zinc/68/03/50/948680350.db2.gz DDQCSVULPQSUJM-QFIPXVFZSA-N 1 2 423.557 4.064 50 0 HIAALO CCc1ccc(C(=O)N2CCN(c3cc(C)[nH+]c(-c4cccc(F)c4)n3)CC2)cc1 ZINC000006739719 132314325 /nfs/dbraw/zinc/31/43/25/132314325.db2.gz HBYJSGISMKZGDG-UHFFFAOYSA-N 1 2 404.489 4.116 50 0 HIAALO CCc1[nH+]c(C)nc(N2CCN(C(=O)c3ccco3)CC2)c1Cc1cc(C)ccc1C ZINC000006776584 132315619 /nfs/dbraw/zinc/31/56/19/132315619.db2.gz JVBDPLOKJYQOJG-UHFFFAOYSA-N 1 2 418.541 4.110 50 0 HIAALO Cc1nc(N2CCN(C(=O)CCC3CCCC3)CC2)c(Cc2ccc(F)cc2)c(C)[nH+]1 ZINC000006838687 132318446 /nfs/dbraw/zinc/31/84/46/132318446.db2.gz MYDBJTSCRJRIGO-UHFFFAOYSA-N 1 2 424.564 4.442 50 0 HIAALO Cc1ccc(C)n1-c1nc2ccc(C(=O)N3CCN(c4cccc[nH+]4)CC3)cc2s1 ZINC000009530578 132340878 /nfs/dbraw/zinc/34/08/78/132340878.db2.gz NGFXYVCAKFXYFQ-UHFFFAOYSA-N 1 2 417.538 4.061 50 0 HIAALO CCN(CC)C(=O)c1cnc2ccc(Cl)cc2c1N1CCN(c2cccc[nH+]2)CC1 ZINC000072328445 520564410 /nfs/dbraw/zinc/56/44/10/520564410.db2.gz BFXWASAMOXUUDQ-UHFFFAOYSA-N 1 2 423.948 4.092 50 0 HIAALO CC[C@H](NC(=O)c1ccc(S(=O)(=O)Nc2cc[nH+]cc2)cc1)c1ccc(C)cc1 ZINC000032197449 522536356 /nfs/dbraw/zinc/53/63/56/522536356.db2.gz DGLSSRRPUXNKJD-NRFANRHFSA-N 1 2 409.511 4.072 50 0 HIAALO COc1cc2cc(C(=O)Nc3nc(C[N@@H+]4CCC[C@H](C)C4)cs3)[nH]c2c(OC)c1 ZINC000032909686 523056360 /nfs/dbraw/zinc/05/63/60/523056360.db2.gz FNMXPSNGIPJSRX-ZDUSSCGKSA-N 1 2 414.531 4.126 50 0 HIAALO COc1cc2cc(C(=O)Nc3nc(C[N@H+]4CCC[C@H](C)C4)cs3)[nH]c2c(OC)c1 ZINC000032909686 523056374 /nfs/dbraw/zinc/05/63/74/523056374.db2.gz FNMXPSNGIPJSRX-ZDUSSCGKSA-N 1 2 414.531 4.126 50 0 HIAALO COc1cccc([C@@H](NC(=O)NCCCc2ccc(C)cc2C)c2[nH+]ccn2C)c1 ZINC000032802468 524098087 /nfs/dbraw/zinc/09/80/87/524098087.db2.gz FMDDTMNAWVFNKC-JOCHJYFZSA-N 1 2 406.530 4.067 50 0 HIAALO Cc1ccc(-c2nc(CSc3[nH+]cnc4c3cnn4-c3ccccc3)no2)cc1 ZINC000032905978 525815985 /nfs/dbraw/zinc/81/59/85/525815985.db2.gz DWAHMHNETHBHLG-UHFFFAOYSA-N 1 2 400.467 4.466 50 0 HIAALO Clc1ccc([C@H]2NC3=[NH+]CN(Cc4ccco4)CN3c3nc4ccccc4n32)cc1 ZINC000020556172 526964627 /nfs/dbraw/zinc/96/46/27/526964627.db2.gz LWLYXAJRIVMKOC-FQEVSTJZSA-N 1 2 418.888 4.026 50 0 HIAALO Cn1cc[nH+]c1[C@@H](NC(=O)CCC(=O)c1ccc(Cl)s1)c1ccccc1F ZINC000032905101 527450445 /nfs/dbraw/zinc/45/04/45/527450445.db2.gz FDDORJLUTABCHL-SFHVURJKSA-N 1 2 405.882 4.143 50 0 HIAALO Cc1ccc(Cn2c3ccccc3n(C[C@@H](O)COc3ccc(Cl)cc3)c2=[NH2+])cc1 ZINC000019832395 558291970 /nfs/dbraw/zinc/29/19/70/558291970.db2.gz UGELENOIJRVTJT-HXUWFJFHSA-N 1 2 421.928 4.372 50 0 HIAALO COc1ccc(-c2nc(CN3CCCC[C@@H]3c3[nH+]ccn3C)c(C)o2)c(OC)c1C ZINC000011936688 558300720 /nfs/dbraw/zinc/30/07/20/558300720.db2.gz USLYLDPIRQLQKW-LJQANCHMSA-N 1 2 410.518 4.436 50 0 HIAALO COc1cccc(N2CC[NH+](CC(=O)N3c4ccccc4C(C)=CC3(C)C)CC2)c1 ZINC000020102270 558332409 /nfs/dbraw/zinc/33/24/09/558332409.db2.gz XYMXCCBIBBQKJM-UHFFFAOYSA-N 1 2 405.542 4.046 50 0 HIAALO Cc1c(C[N@@H+](C)Cc2c(C(=O)N3CCCCC3)nc3sccn23)[nH]c2ccccc12 ZINC000012197268 558350318 /nfs/dbraw/zinc/35/03/18/558350318.db2.gz PRSUHWQMEAJPPW-UHFFFAOYSA-N 1 2 421.570 4.444 50 0 HIAALO Cc1c(C[N@H+](C)Cc2c(C(=O)N3CCCCC3)nc3sccn23)[nH]c2ccccc12 ZINC000012197268 558350321 /nfs/dbraw/zinc/35/03/21/558350321.db2.gz PRSUHWQMEAJPPW-UHFFFAOYSA-N 1 2 421.570 4.444 50 0 HIAALO O=C1C[C@@H]([N@@H+]2CC=C(c3ccc(F)cc3)CC2)C(=O)N1c1ccc(F)c(Cl)c1 ZINC000020457579 558370699 /nfs/dbraw/zinc/37/06/99/558370699.db2.gz RRSBIJGIDUJPME-LJQANCHMSA-N 1 2 402.828 4.039 50 0 HIAALO O=C1C[C@@H]([N@H+]2CC=C(c3ccc(F)cc3)CC2)C(=O)N1c1ccc(F)c(Cl)c1 ZINC000020457579 558370703 /nfs/dbraw/zinc/37/07/03/558370703.db2.gz RRSBIJGIDUJPME-LJQANCHMSA-N 1 2 402.828 4.039 50 0 HIAALO O=C(c1ccccc1-c1cc2ccccc2c(=O)o1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020647747 558397616 /nfs/dbraw/zinc/39/76/16/558397616.db2.gz QRMWFSOUFHNDFS-UHFFFAOYSA-N 1 2 424.500 4.418 50 0 HIAALO COc1ccc(C[N@@H+]2CCCC[C@H]2C(=O)Nc2ccc(-n3cccn3)cc2)c(F)c1 ZINC000012467639 558420771 /nfs/dbraw/zinc/42/07/71/558420771.db2.gz WZEZOBBGJSIURU-QFIPXVFZSA-N 1 2 408.477 4.013 50 0 HIAALO COc1ccc(C[N@H+]2CCCC[C@H]2C(=O)Nc2ccc(-n3cccn3)cc2)c(F)c1 ZINC000012467639 558420773 /nfs/dbraw/zinc/42/07/73/558420773.db2.gz WZEZOBBGJSIURU-QFIPXVFZSA-N 1 2 408.477 4.013 50 0 HIAALO Cc1ccc(-n2ncc3c2nc[nH+]c3SCC(=O)Nc2ccc(F)cc2)c(C)c1 ZINC000004341747 558425393 /nfs/dbraw/zinc/42/53/93/558425393.db2.gz QGOYISUNJOWOCY-UHFFFAOYSA-N 1 2 407.474 4.302 50 0 HIAALO O=C(COc1ccccc1)Nc1ccc2c(c1)nc1n2CC[N@@H+](C2CCCCC2)C1 ZINC000021168089 558432867 /nfs/dbraw/zinc/43/28/67/558432867.db2.gz CQMUIJIBAJXCQM-UHFFFAOYSA-N 1 2 404.514 4.202 50 0 HIAALO O=C(COc1ccccc1)Nc1ccc2c(c1)nc1n2CC[N@H+](C2CCCCC2)C1 ZINC000021168089 558432871 /nfs/dbraw/zinc/43/28/71/558432871.db2.gz CQMUIJIBAJXCQM-UHFFFAOYSA-N 1 2 404.514 4.202 50 0 HIAALO COc1cc(NC(=O)C[N@@H+](Cc2cccs2)C[C@@H]2CCCO2)c(OC)cc1Cl ZINC000022063542 558461045 /nfs/dbraw/zinc/46/10/45/558461045.db2.gz SGJVGWANTISEIL-AWEZNQCLSA-N 1 2 424.950 4.038 50 0 HIAALO COc1cc(NC(=O)C[N@H+](Cc2cccs2)C[C@@H]2CCCO2)c(OC)cc1Cl ZINC000022063542 558461048 /nfs/dbraw/zinc/46/10/48/558461048.db2.gz SGJVGWANTISEIL-AWEZNQCLSA-N 1 2 424.950 4.038 50 0 HIAALO CC(C)(C)c1ccc([C@@]2(C)NC(=O)N(C[N@H+]3CC=C(c4ccccc4)CC3)C2=O)cc1 ZINC000013059093 558509498 /nfs/dbraw/zinc/50/94/98/558509498.db2.gz KHRCRPHLXVNUTO-AREMUKBSSA-N 1 2 417.553 4.498 50 0 HIAALO CC(C)(C)c1ccc([C@@]2(C)NC(=O)N(C[N@@H+]3CC=C(c4ccccc4)CC3)C2=O)cc1 ZINC000013059093 558509500 /nfs/dbraw/zinc/50/95/00/558509500.db2.gz KHRCRPHLXVNUTO-AREMUKBSSA-N 1 2 417.553 4.498 50 0 HIAALO Cc1sc2nc([C@H](C)N3CC[NH+](Cc4cccc(Cl)c4)CC3)[nH]c(=O)c2c1C ZINC000022789348 558511800 /nfs/dbraw/zinc/51/18/00/558511800.db2.gz KPGAZMMNTZAAEV-AWEZNQCLSA-N 1 2 416.978 4.134 50 0 HIAALO FC(F)(F)c1cccc(Cc2noc(CN3CC[NH+](Cc4cccs4)CC3)n2)c1 ZINC000023358013 558551162 /nfs/dbraw/zinc/55/11/62/558551162.db2.gz MLDBRNJTRCXZNL-UHFFFAOYSA-N 1 2 422.476 4.059 50 0 HIAALO O=C(c1ccc(F)cc1Br)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000023790992 558576006 /nfs/dbraw/zinc/57/60/06/558576006.db2.gz PMIIMKAHUZCMED-UHFFFAOYSA-N 1 2 411.702 4.200 50 0 HIAALO Cc1ccc(-n2cc(C(=O)NCc3cn4ccccc4[nH+]3)c(-c3ccccc3)n2)cc1 ZINC000023792290 558576017 /nfs/dbraw/zinc/57/60/17/558576017.db2.gz CJSJMGACCRADDX-UHFFFAOYSA-N 1 2 407.477 4.425 50 0 HIAALO Brc1ccc(-n2nnnc2[C@H]([NH2+]Cc2ccccc2)c2ccccc2)cc1 ZINC000013942886 558605150 /nfs/dbraw/zinc/60/51/50/558605150.db2.gz KOJSPLOXRFIHCU-HXUWFJFHSA-N 1 2 420.314 4.304 50 0 HIAALO C[C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[NH+]1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC000014202385 558637614 /nfs/dbraw/zinc/63/76/14/558637614.db2.gz VIWGUBWZHGTCGY-KRWDZBQOSA-N 1 2 420.557 4.291 50 0 HIAALO C[C@@H](NC(=O)Nc1cccc(C(F)(F)F)c1)[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000025514792 558642540 /nfs/dbraw/zinc/64/25/40/558642540.db2.gz DXOVRMHKWKICOH-DNVCBOLYSA-N 1 2 407.436 4.289 50 0 HIAALO COc1cccc(-c2noc(C[NH+]3CCC(C(=O)c4ccc(C)cc4C)CC3)n2)c1 ZINC000026641933 558663960 /nfs/dbraw/zinc/66/39/60/558663960.db2.gz UTZGBGILXBYZHN-UHFFFAOYSA-N 1 2 405.498 4.457 50 0 HIAALO O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCCC1)c1cc(=O)c2ccccc2o1 ZINC000028288884 558695802 /nfs/dbraw/zinc/69/58/02/558695802.db2.gz AZOCBIUERLDIOW-IBGZPJMESA-N 1 2 410.901 4.403 50 0 HIAALO CC[NH+]1CCN(C(=O)c2sc3ncnc(N[C@@H](C)c4cccs4)c3c2C)CC1 ZINC000015002530 558698394 /nfs/dbraw/zinc/69/83/94/558698394.db2.gz WSHQYQZNZYMZFR-AWEZNQCLSA-N 1 2 415.588 4.012 50 0 HIAALO CCC[C@H](CNC(=O)CSc1nc(N)cc(C)[nH+]1)c1ccc(Cl)cc1Cl ZINC000029914807 558724107 /nfs/dbraw/zinc/72/41/07/558724107.db2.gz DYXKPMPRDBWRAF-GFCCVEGCSA-N 1 2 413.374 4.466 50 0 HIAALO CCOC(=O)c1cc(C(C)C)sc1NC(=O)C[N@@H+]1CCC[C@@H]1c1cccn1C ZINC000015521939 558742164 /nfs/dbraw/zinc/74/21/64/558742164.db2.gz VRPIGSJUZWAJKP-QGZVFWFLSA-N 1 2 403.548 4.162 50 0 HIAALO CCOC(=O)c1cc(C(C)C)sc1NC(=O)C[N@H+]1CCC[C@@H]1c1cccn1C ZINC000015521939 558742166 /nfs/dbraw/zinc/74/21/66/558742166.db2.gz VRPIGSJUZWAJKP-QGZVFWFLSA-N 1 2 403.548 4.162 50 0 HIAALO C[C@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)[N@H+](C)Cc1ccc(Cl)nc1 ZINC000072308163 558768758 /nfs/dbraw/zinc/76/87/58/558768758.db2.gz XHKAYAFBBKYKED-VXGBXAGGSA-N 1 2 402.951 4.351 50 0 HIAALO C[C@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)[N@@H+](C)Cc1ccc(Cl)nc1 ZINC000072308163 558768761 /nfs/dbraw/zinc/76/87/61/558768761.db2.gz XHKAYAFBBKYKED-VXGBXAGGSA-N 1 2 402.951 4.351 50 0 HIAALO CC1(C)C[N@H+](CC(=O)N(c2ccccc2)C2CCCCC2)CCN1CC(F)(F)F ZINC000072308728 558770766 /nfs/dbraw/zinc/77/07/66/558770766.db2.gz WSKFKYGYRYTELB-UHFFFAOYSA-N 1 2 411.512 4.311 50 0 HIAALO CC1(C)C[N@@H+](CC(=O)N(c2ccccc2)C2CCCCC2)CCN1CC(F)(F)F ZINC000072308728 558770771 /nfs/dbraw/zinc/77/07/71/558770771.db2.gz WSKFKYGYRYTELB-UHFFFAOYSA-N 1 2 411.512 4.311 50 0 HIAALO COc1cc(-c2[nH+]c3ccccn3c2Nc2ccc3c(c2)OCCO3)cc(OC)c1O ZINC000035606434 558794179 /nfs/dbraw/zinc/79/41/79/558794179.db2.gz GUGMERWVULVOMO-UHFFFAOYSA-N 1 2 419.437 4.239 50 0 HIAALO Fc1cccc(CN(CCC[NH+]2CCOCC2)C(=S)Nc2ccc(Cl)cc2)c1 ZINC000017092858 558821209 /nfs/dbraw/zinc/82/12/09/558821209.db2.gz BWAWTOJWONRBFR-UHFFFAOYSA-N 1 2 421.969 4.400 50 0 HIAALO Cc1ccc(C)n1-c1ccc[nH+]c1N1CCC(C(=O)NCc2cccc(C)c2)CC1 ZINC000033034492 558858462 /nfs/dbraw/zinc/85/84/62/558858462.db2.gz AEFKFYMHMVYAJX-UHFFFAOYSA-N 1 2 402.542 4.330 50 0 HIAALO Cc1ccc(N2CC[NH+](CC(=O)Nc3ccc(Br)cc3)CC2)cc1Cl ZINC000054225030 558866661 /nfs/dbraw/zinc/86/66/61/558866661.db2.gz DQWQJQRUGXKKNB-UHFFFAOYSA-N 1 2 422.754 4.172 50 0 HIAALO O=S(=O)(Nc1cccc(CCc2[nH]c3ccccc3[nH+]2)c1)c1ccc(F)c(F)c1 ZINC000033116573 558877918 /nfs/dbraw/zinc/87/79/18/558877918.db2.gz HBWQOXXVEBRJTN-UHFFFAOYSA-N 1 2 413.449 4.427 50 0 HIAALO COc1ccc(-c2nc(C[N@@H+](Cc3ccccc3)C[C@@H]3CCC(=O)N3)c(C)o2)cc1C ZINC000055271176 558878104 /nfs/dbraw/zinc/87/81/04/558878104.db2.gz JAWKDRYIONQXQF-NRFANRHFSA-N 1 2 419.525 4.248 50 0 HIAALO COc1ccc(-c2nc(C[N@H+](Cc3ccccc3)C[C@@H]3CCC(=O)N3)c(C)o2)cc1C ZINC000055271176 558878105 /nfs/dbraw/zinc/87/81/05/558878105.db2.gz JAWKDRYIONQXQF-NRFANRHFSA-N 1 2 419.525 4.248 50 0 HIAALO COC(=O)[C@H]1CCCC[N@@H+]1Cc1cn(-c2ccccc2)nc1-c1cccc(OC)c1 ZINC000055341005 558879325 /nfs/dbraw/zinc/87/93/25/558879325.db2.gz ATBBWJPDRKAHKD-JOCHJYFZSA-N 1 2 405.498 4.075 50 0 HIAALO COC(=O)[C@H]1CCCC[N@H+]1Cc1cn(-c2ccccc2)nc1-c1cccc(OC)c1 ZINC000055341005 558879328 /nfs/dbraw/zinc/87/93/28/558879328.db2.gz ATBBWJPDRKAHKD-JOCHJYFZSA-N 1 2 405.498 4.075 50 0 HIAALO O=C(/C=C/c1ccc(OC(F)(F)F)cc1)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000058102677 558899129 /nfs/dbraw/zinc/89/91/29/558899129.db2.gz OSBZIQZIJBQGFD-XBXARRHUSA-N 1 2 405.351 4.240 50 0 HIAALO C[C@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000058159045 558904112 /nfs/dbraw/zinc/90/41/12/558904112.db2.gz RJMHBDQPDXJNPP-CQSZACIVSA-N 1 2 422.754 4.252 50 0 HIAALO C[C@@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000058159043 558904152 /nfs/dbraw/zinc/90/41/52/558904152.db2.gz RJMHBDQPDXJNPP-AWEZNQCLSA-N 1 2 422.754 4.252 50 0 HIAALO O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)Nc1cccc(Cl)c1Cl ZINC000058315513 558919148 /nfs/dbraw/zinc/91/91/48/558919148.db2.gz XUKUHWJXYJFGOR-UHFFFAOYSA-N 1 2 424.328 4.026 50 0 HIAALO Cc1ccc(Nc2nc(N3CCN(C(=O)Nc4cccc(F)c4)CC3)cc(C)[nH+]2)cc1 ZINC000064800314 558966057 /nfs/dbraw/zinc/96/60/57/558966057.db2.gz UODIZGMNHFIWSF-UHFFFAOYSA-N 1 2 420.492 4.330 50 0 HIAALO Cc1ccc(Nc2cc(N3CCN(C(=O)Nc4ccccc4C)CC3)[nH+]c(C)n2)cc1 ZINC000065365397 558976434 /nfs/dbraw/zinc/97/64/34/558976434.db2.gz HWRDPXVCGPVDPV-UHFFFAOYSA-N 1 2 416.529 4.500 50 0 HIAALO Cc1ccc2nc(N(CCC[NH+]3CCOCC3)C(=O)C3CCCCC3)sc2c1 ZINC000022997554 558981777 /nfs/dbraw/zinc/98/17/77/558981777.db2.gz DOPMILRSRHZDEU-UHFFFAOYSA-N 1 2 401.576 4.240 50 0 HIAALO Cc1oc(-c2cccc(Oc3ccccc3)c2)nc1C[N@@H+](C)Cc1cnc(N)nc1 ZINC000072479120 558983902 /nfs/dbraw/zinc/98/39/02/558983902.db2.gz AGPVQXDGEKDBGZ-UHFFFAOYSA-N 1 2 401.470 4.447 50 0 HIAALO Cc1oc(-c2cccc(Oc3ccccc3)c2)nc1C[N@H+](C)Cc1cnc(N)nc1 ZINC000072479120 558983904 /nfs/dbraw/zinc/98/39/04/558983904.db2.gz AGPVQXDGEKDBGZ-UHFFFAOYSA-N 1 2 401.470 4.447 50 0 HIAALO CCN(C)C(=O)[C@@H](C)[N@@H+]1CCc2onc(C(c3ccccc3)c3ccccc3)c2C1 ZINC000067726820 558992051 /nfs/dbraw/zinc/99/20/51/558992051.db2.gz QRJQLWKPYHVVKY-GOSISDBHSA-N 1 2 403.526 4.080 50 0 HIAALO CCN(C)C(=O)[C@@H](C)[N@H+]1CCc2onc(C(c3ccccc3)c3ccccc3)c2C1 ZINC000067726820 558992053 /nfs/dbraw/zinc/99/20/53/558992053.db2.gz QRJQLWKPYHVVKY-GOSISDBHSA-N 1 2 403.526 4.080 50 0 HIAALO O=C(c1nc2sccn2c1C[N@H+]1CCCC[C@@H]1c1cccc(F)c1)N1CCCC1 ZINC000067833816 558993507 /nfs/dbraw/zinc/99/35/07/558993507.db2.gz DXQIMMMCWBONNW-GOSISDBHSA-N 1 2 412.534 4.498 50 0 HIAALO O=C(c1nc2sccn2c1C[N@@H+]1CCCC[C@@H]1c1cccc(F)c1)N1CCCC1 ZINC000067833816 558993508 /nfs/dbraw/zinc/99/35/08/558993508.db2.gz DXQIMMMCWBONNW-GOSISDBHSA-N 1 2 412.534 4.498 50 0 HIAALO Cc1nc2n(n1)C(=O)C([C@H](c1ccc(Br)cc1)[NH+]1CCC(C)CC1)S2 ZINC000023157005 559022052 /nfs/dbraw/zinc/02/20/52/559022052.db2.gz RNXPGXLHEXHRNB-HNNXBMFYSA-N 1 2 421.364 4.389 50 0 HIAALO COc1ccc(C[N@@H+]2CCc3nc(SCc4cccc(OC)c4)[nH]c(=O)c3C2)cc1 ZINC000033287259 559043834 /nfs/dbraw/zinc/04/38/34/559043834.db2.gz VWVWGVSPMOGCKO-UHFFFAOYSA-N 1 2 423.538 4.050 50 0 HIAALO COc1ccc(C[N@H+]2CCc3nc(SCc4cccc(OC)c4)[nH]c(=O)c3C2)cc1 ZINC000033287259 559043836 /nfs/dbraw/zinc/04/38/36/559043836.db2.gz VWVWGVSPMOGCKO-UHFFFAOYSA-N 1 2 423.538 4.050 50 0 HIAALO O=C(c1cccc(Cl)c1)N1CCC[N@H+](Cc2nc3cc(Cl)ccc3o2)CC1 ZINC000033303114 559051255 /nfs/dbraw/zinc/05/12/55/559051255.db2.gz VAKVASFIOWPNRH-UHFFFAOYSA-N 1 2 404.297 4.483 50 0 HIAALO O=C(c1cccc(Cl)c1)N1CCC[N@@H+](Cc2nc3cc(Cl)ccc3o2)CC1 ZINC000033303114 559051256 /nfs/dbraw/zinc/05/12/56/559051256.db2.gz VAKVASFIOWPNRH-UHFFFAOYSA-N 1 2 404.297 4.483 50 0 HIAALO CCc1[nH+]c([C@@H](C)CC)nc(N2CCN(C(=O)C3CC3)CC2)c1Cc1ccc(F)cc1 ZINC000096316944 559109772 /nfs/dbraw/zinc/10/97/72/559109772.db2.gz CDGAIXMYIGBWBN-KRWDZBQOSA-N 1 2 424.564 4.341 50 0 HIAALO C[C@H](Sc1[nH+]cnc2c1cnn2C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000011680878 559173619 /nfs/dbraw/zinc/17/36/19/559173619.db2.gz LJXRVIJAXDDJDE-QMMMGPOBSA-N 1 2 415.828 4.155 50 0 HIAALO C[C@@H](NC(=O)[C@H](C)Sc1[nH+]cnc2c1cnn2C)c1ccc(Cl)cc1Cl ZINC000011682177 559176934 /nfs/dbraw/zinc/17/69/34/559176934.db2.gz FGEGGAVPPUPFAY-ZJUUUORDSA-N 1 2 410.330 4.028 50 0 HIAALO C[C@@H](NC(=O)[C@@H](C)Sc1[nH+]cnc2c1cnn2C)c1ccc(Cl)cc1Cl ZINC000011682166 559176992 /nfs/dbraw/zinc/17/69/92/559176992.db2.gz FGEGGAVPPUPFAY-NXEZZACHSA-N 1 2 410.330 4.028 50 0 HIAALO O=S(=O)(c1ccccc1N1CCC(c2[nH]c3ccccc3[nH+]2)CC1)C(F)(F)F ZINC000048236658 568432978 /nfs/dbraw/zinc/43/29/78/568432978.db2.gz FWQSQSCSYWZFAO-UHFFFAOYSA-N 1 2 409.433 4.240 50 0 HIAALO Cc1ccc(NC(=O)C[NH+]2CCC(c3nc(-c4cccc(F)c4)no3)CC2)c(F)c1 ZINC000049403369 568448177 /nfs/dbraw/zinc/44/81/77/568448177.db2.gz UIVOTVHUDOZNNI-UHFFFAOYSA-N 1 2 412.440 4.141 50 0 HIAALO Cc1ccc(NC(=O)C[NH+]2CCC(c3nc(-c4cccc(F)c4)no3)CC2)cc1F ZINC000049403371 568448327 /nfs/dbraw/zinc/44/83/27/568448327.db2.gz DKADWNSTBVCGLC-UHFFFAOYSA-N 1 2 412.440 4.141 50 0 HIAALO CC[N@@H+]1CCc2nc3sc(C(=O)Nc4cc(Cl)ccc4OC)c(N)c3cc2C1 ZINC000020289924 568597807 /nfs/dbraw/zinc/59/78/07/568597807.db2.gz WTGWZGCBUIWANA-UHFFFAOYSA-N 1 2 416.934 4.171 50 0 HIAALO CC[N@H+]1CCc2nc3sc(C(=O)Nc4cc(Cl)ccc4OC)c(N)c3cc2C1 ZINC000020289924 568597808 /nfs/dbraw/zinc/59/78/08/568597808.db2.gz WTGWZGCBUIWANA-UHFFFAOYSA-N 1 2 416.934 4.171 50 0 HIAALO Cc1cc2oc(=O)cc(-c3cc4c(o3)c(C)ncc4C[NH+]3CCOCC3)c2cc1C ZINC000095476310 568630211 /nfs/dbraw/zinc/63/02/11/568630211.db2.gz GRHUERYKPKACSX-UHFFFAOYSA-N 1 2 404.466 4.359 50 0 HIAALO CC(C)(C)c1ccc(S(=O)(=O)CC[NH+]2CCC(CCCn3ccnc3)CC2)cc1 ZINC000096008649 568683490 /nfs/dbraw/zinc/68/34/90/568683490.db2.gz YLXBMHXGIJFWGV-UHFFFAOYSA-N 1 2 417.619 4.147 50 0 HIAALO C[N@@H+](CC(=O)Nc1ccccc1Br)Cc1ccc(Br)s1 ZINC000018939819 568742884 /nfs/dbraw/zinc/74/28/84/568742884.db2.gz WLNOQGKFSBDDDG-UHFFFAOYSA-N 1 2 418.154 4.344 50 0 HIAALO CCc1[nH+]c(C2CC2)nc(N2CCN(C(=O)CC(C)C)CC2)c1Cc1ccc(F)cc1 ZINC000096317140 568726309 /nfs/dbraw/zinc/72/63/09/568726309.db2.gz ZZBLOPVQYSSGAX-UHFFFAOYSA-N 1 2 424.564 4.341 50 0 HIAALO C[N@H+](CC(=O)Nc1ccccc1Br)Cc1ccc(Br)s1 ZINC000018939819 568742882 /nfs/dbraw/zinc/74/28/82/568742882.db2.gz WLNOQGKFSBDDDG-UHFFFAOYSA-N 1 2 418.154 4.344 50 0 HIAALO C[N@H+](Cc1ccc2c(c1)OCCO2)[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000018941809 568743783 /nfs/dbraw/zinc/74/37/83/568743783.db2.gz OUEYJYYZYBLXTQ-QHCPKHFHSA-N 1 2 406.457 4.409 50 0 HIAALO C[N@@H+](Cc1ccc2c(c1)OCCO2)[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000018941809 568743784 /nfs/dbraw/zinc/74/37/84/568743784.db2.gz OUEYJYYZYBLXTQ-QHCPKHFHSA-N 1 2 406.457 4.409 50 0 HIAALO Cc1ccc(NC(=O)C2CC[NH+](Cc3noc(-c4ccc(F)cc4)n3)CC2)cc1C ZINC000021724474 568751047 /nfs/dbraw/zinc/75/10/47/568751047.db2.gz SLKVSQISMNEDAD-UHFFFAOYSA-N 1 2 408.477 4.343 50 0 HIAALO Cc1ccc(-c2nc(C[N@@H+]3CCC[C@H](C(=O)Nc4ccc(F)cc4F)C3)no2)cc1 ZINC000021724815 568751201 /nfs/dbraw/zinc/75/12/01/568751201.db2.gz DSZCSIAMONFNSB-INIZCTEOSA-N 1 2 412.440 4.174 50 0 HIAALO Cc1ccc(-c2nc(C[N@H+]3CCC[C@H](C(=O)Nc4ccc(F)cc4F)C3)no2)cc1 ZINC000021724815 568751202 /nfs/dbraw/zinc/75/12/02/568751202.db2.gz DSZCSIAMONFNSB-INIZCTEOSA-N 1 2 412.440 4.174 50 0 HIAALO O=S(=O)(c1c(Cl)cccc1Cl)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000029028669 568815246 /nfs/dbraw/zinc/81/52/46/568815246.db2.gz REUAMRWVLLVVCG-UHFFFAOYSA-N 1 2 417.333 4.029 50 0 HIAALO O=S(=O)(c1c(Cl)cccc1Cl)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000029028669 568815251 /nfs/dbraw/zinc/81/52/51/568815251.db2.gz REUAMRWVLLVVCG-UHFFFAOYSA-N 1 2 417.333 4.029 50 0 HIAALO Fc1cccc(Cl)c1Cn1nc(C[NH2+]Cc2ccccn2)c(-c2ccccc2)n1 ZINC000261491999 568820119 /nfs/dbraw/zinc/82/01/19/568820119.db2.gz OYSPWVKPOMEZJN-UHFFFAOYSA-N 1 2 407.880 4.471 50 0 HIAALO COc1ccc(-c2cc3ncnc(N4CC[NH+](Cc5cccnc5)CC4)c3s2)cc1 ZINC000057296800 568826174 /nfs/dbraw/zinc/82/61/74/568826174.db2.gz KDEWOSPRNSSYBR-UHFFFAOYSA-N 1 2 417.538 4.084 50 0 HIAALO COc1cc(OC)cc([C@H](NC(=O)Nc2ccc(Cl)cc2)c2[nH+]ccn2C)c1 ZINC000012507692 568839920 /nfs/dbraw/zinc/83/99/20/568839920.db2.gz WDHPGFWPKLGENT-SFHVURJKSA-N 1 2 400.866 4.002 50 0 HIAALO CCCc1nnc(NC(=O)c2cccc(OCc3cn4cc(C)ccc4[nH+]3)c2)s1 ZINC000012544458 568849645 /nfs/dbraw/zinc/84/96/45/568849645.db2.gz AIWKXLYMWLKXCN-UHFFFAOYSA-N 1 2 407.499 4.278 50 0 HIAALO O=C(c1cc(C2CC2)nn1-c1ccccc1)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000012568001 568860742 /nfs/dbraw/zinc/86/07/42/568860742.db2.gz MPJUSQMUGHKMSC-UHFFFAOYSA-N 1 2 420.944 4.361 50 0 HIAALO O=C(CCc1ccc(-c2ccccc2)o1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000012590843 568868431 /nfs/dbraw/zinc/86/84/31/568868431.db2.gz OVVUKZQCHAVBPS-UHFFFAOYSA-N 1 2 404.510 4.028 50 0 HIAALO O=C(CSc1[nH+]cnc2c1cnn2-c1ccccc1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000012600896 568869906 /nfs/dbraw/zinc/86/99/06/568869906.db2.gz XBLDLJHUTZQLGQ-LPHOPBHVSA-N 1 2 407.543 4.089 50 0 HIAALO CCOC(=O)C1CC[NH+](CC(=O)Nc2ccc3c(c2)c2ccccc2n3CC)CC1 ZINC000003305931 568877463 /nfs/dbraw/zinc/87/74/63/568877463.db2.gz NWWFCUOVUVALBZ-UHFFFAOYSA-N 1 2 407.514 4.028 50 0 HIAALO O=C(C[C@@H](c1ccsc1)n1cccc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000263587721 568883340 /nfs/dbraw/zinc/88/33/40/568883340.db2.gz KMUKTVAQEGNHHS-CJHOVAGGSA-N 1 2 405.567 4.387 50 0 HIAALO Cc1ccc(NC(=O)C[N@H+]2CCC[C@H]2CN(C)c2ccccc2)c(Br)c1 ZINC000058156708 568893286 /nfs/dbraw/zinc/89/32/86/568893286.db2.gz CUXYJWQDSRPGPH-SFHVURJKSA-N 1 2 416.363 4.297 50 0 HIAALO Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2CN(C)c2ccccc2)c(Br)c1 ZINC000058156708 568893288 /nfs/dbraw/zinc/89/32/88/568893288.db2.gz CUXYJWQDSRPGPH-SFHVURJKSA-N 1 2 416.363 4.297 50 0 HIAALO Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2CN(C)c2ccccc2)c(Br)c1 ZINC000058156705 568893331 /nfs/dbraw/zinc/89/33/31/568893331.db2.gz CUXYJWQDSRPGPH-GOSISDBHSA-N 1 2 416.363 4.297 50 0 HIAALO Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2CN(C)c2ccccc2)c(Br)c1 ZINC000058156705 568893334 /nfs/dbraw/zinc/89/33/34/568893334.db2.gz CUXYJWQDSRPGPH-GOSISDBHSA-N 1 2 416.363 4.297 50 0 HIAALO Cc1[nH+]c(N2CCCC2)ccc1NC(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1 ZINC000084028791 568933238 /nfs/dbraw/zinc/93/32/38/568933238.db2.gz YEOFNEIZXIOSLX-UHFFFAOYSA-N 1 2 408.546 4.046 50 0 HIAALO CCOC(=O)c1c(NC(=O)c2cccc(C(F)(F)F)c2)sc2c1CC[N@H+](C)C2 ZINC000004223400 568952422 /nfs/dbraw/zinc/95/24/22/568952422.db2.gz FAGCHTMRXZPUQW-UHFFFAOYSA-N 1 2 412.433 4.184 50 0 HIAALO CCOC(=O)c1c(NC(=O)c2cccc(C(F)(F)F)c2)sc2c1CC[N@@H+](C)C2 ZINC000004223400 568952425 /nfs/dbraw/zinc/95/24/25/568952425.db2.gz FAGCHTMRXZPUQW-UHFFFAOYSA-N 1 2 412.433 4.184 50 0 HIAALO COc1cc(-c2nnc(SCc3cn4cccc(C)c4[nH+]3)o2)cc(OC)c1OC ZINC000008012240 568968128 /nfs/dbraw/zinc/96/81/28/568968128.db2.gz ZXURJWRWIJLZDH-UHFFFAOYSA-N 1 2 412.471 4.011 50 0 HIAALO Cc1ccc(NC(=O)C[N@@H+](Cc2cccs2)C[C@H]2CCCO2)cc1Br ZINC000012854113 569010676 /nfs/dbraw/zinc/01/06/76/569010676.db2.gz BRPGAHLLQSQTGV-MRXNPFEDSA-N 1 2 423.376 4.439 50 0 HIAALO Cc1ccc(NC(=O)C[N@H+](Cc2cccs2)C[C@H]2CCCO2)cc1Br ZINC000012854113 569010677 /nfs/dbraw/zinc/01/06/77/569010677.db2.gz BRPGAHLLQSQTGV-MRXNPFEDSA-N 1 2 423.376 4.439 50 0 HIAALO O=C(Cc1scnc1-c1cccs1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000015840285 569013837 /nfs/dbraw/zinc/01/38/37/569013837.db2.gz RSQVBXSFJCSGSM-XBXARRHUSA-N 1 2 409.580 4.272 50 0 HIAALO CC(=O)Nc1cccc(NC(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2cccs2)c1 ZINC000012941562 569028629 /nfs/dbraw/zinc/02/86/29/569028629.db2.gz NVEXWOJJWCTRHR-OAQYLSRUSA-N 1 2 411.552 4.354 50 0 HIAALO CC(=O)Nc1cccc(NC(=O)C[N@H+]2CCc3sccc3[C@@H]2c2cccs2)c1 ZINC000012941562 569028630 /nfs/dbraw/zinc/02/86/30/569028630.db2.gz NVEXWOJJWCTRHR-OAQYLSRUSA-N 1 2 411.552 4.354 50 0 HIAALO CCOc1ccc(NC(=O)C[N@H+]2CC=C(c3cnn(-c4ccc(C)cc4)c3)CC2)cc1 ZINC000035403769 569035525 /nfs/dbraw/zinc/03/55/25/569035525.db2.gz IJDZVBSFSDIJMK-UHFFFAOYSA-N 1 2 416.525 4.307 50 0 HIAALO CCOc1ccc(NC(=O)C[N@@H+]2CC=C(c3cnn(-c4ccc(C)cc4)c3)CC2)cc1 ZINC000035403769 569035526 /nfs/dbraw/zinc/03/55/26/569035526.db2.gz IJDZVBSFSDIJMK-UHFFFAOYSA-N 1 2 416.525 4.307 50 0 HIAALO Cc1ccc(-n2cc(C3=CC[N@H+](CC(=O)NCc4cccc(F)c4)CC3)cn2)cc1C ZINC000035404309 569035655 /nfs/dbraw/zinc/03/56/55/569035655.db2.gz YQGQFTLCNSYPSR-UHFFFAOYSA-N 1 2 418.516 4.034 50 0 HIAALO Cc1ccc(-n2cc(C3=CC[N@@H+](CC(=O)NCc4cccc(F)c4)CC3)cn2)cc1C ZINC000035404309 569035656 /nfs/dbraw/zinc/03/56/56/569035656.db2.gz YQGQFTLCNSYPSR-UHFFFAOYSA-N 1 2 418.516 4.034 50 0 HIAALO C[C@H](NC(=O)C[N@H+]1CC=C(c2cnn(-c3ccc(F)cc3)c2)CC1)c1ccc(F)cc1 ZINC000035404640 569035794 /nfs/dbraw/zinc/03/57/94/569035794.db2.gz FKNWFCHUEMIIJT-KRWDZBQOSA-N 1 2 422.479 4.117 50 0 HIAALO C[C@H](NC(=O)C[N@@H+]1CC=C(c2cnn(-c3ccc(F)cc3)c2)CC1)c1ccc(F)cc1 ZINC000035404640 569035795 /nfs/dbraw/zinc/03/57/95/569035795.db2.gz FKNWFCHUEMIIJT-KRWDZBQOSA-N 1 2 422.479 4.117 50 0 HIAALO O=C(/C=C/c1cccc(Cl)c1Cl)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000032999981 569047919 /nfs/dbraw/zinc/04/79/19/569047919.db2.gz WJFYEJGSTXIJLF-FYCOFBDGSA-N 1 2 411.354 4.258 50 0 HIAALO O=C(N[C@@H](Cc1ccccc1)c1ccccc1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000013011855 569050488 /nfs/dbraw/zinc/05/04/88/569050488.db2.gz NTIIWUHKTPEBDA-VWLOTQADSA-N 1 2 400.522 4.233 50 0 HIAALO CNC(=O)NC(=O)CC[N@@H+]1C[C@H](c2ccccc2Cl)c2c3ccccc3[nH]c2[C@@H]1C ZINC000013019961 569051135 /nfs/dbraw/zinc/05/11/35/569051135.db2.gz OYTUAYUBRPQQTH-WMLDXEAASA-N 1 2 424.932 4.176 50 0 HIAALO CNC(=O)NC(=O)CC[N@H+]1C[C@H](c2ccccc2Cl)c2c3ccccc3[nH]c2[C@@H]1C ZINC000013019961 569051136 /nfs/dbraw/zinc/05/11/36/569051136.db2.gz OYTUAYUBRPQQTH-WMLDXEAASA-N 1 2 424.932 4.176 50 0 HIAALO Cc1ccc(C2=NN(C(=O)C[N@H+]3CCC[C@H]3c3cccn3C)[C@H](c3ccco3)C2)cc1 ZINC000240225357 569054537 /nfs/dbraw/zinc/05/45/37/569054537.db2.gz DHJUTNOVWOMMNL-GOTSBHOMSA-N 1 2 416.525 4.441 50 0 HIAALO Cc1ccc(C2=NN(C(=O)C[N@@H+]3CCC[C@H]3c3cccn3C)[C@H](c3ccco3)C2)cc1 ZINC000240225357 569054538 /nfs/dbraw/zinc/05/45/38/569054538.db2.gz DHJUTNOVWOMMNL-GOTSBHOMSA-N 1 2 416.525 4.441 50 0 HIAALO Cc1nc(N2CCN(C(=O)c3ccccc3)CC2)c(Cc2ccc(Cl)cc2)c(C)[nH+]1 ZINC000035768953 569058132 /nfs/dbraw/zinc/05/81/32/569058132.db2.gz GLNLTOPVCCBITB-UHFFFAOYSA-N 1 2 420.944 4.300 50 0 HIAALO COCc1ccccc1NC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000089420386 569060134 /nfs/dbraw/zinc/06/01/34/569060134.db2.gz SXGLNASYIHNAPT-LJQANCHMSA-N 1 2 403.320 4.371 50 0 HIAALO COc1ccc(C[N@H+](C)CC(=O)Nc2ccc(OCc3ccccc3)cc2)c(OC)c1 ZINC000006552383 569065268 /nfs/dbraw/zinc/06/52/68/569065268.db2.gz TWSMRGRSEILKPN-UHFFFAOYSA-N 1 2 420.509 4.353 50 0 HIAALO COc1ccc(C[N@@H+](C)CC(=O)Nc2ccc(OCc3ccccc3)cc2)c(OC)c1 ZINC000006552383 569065269 /nfs/dbraw/zinc/06/52/69/569065269.db2.gz TWSMRGRSEILKPN-UHFFFAOYSA-N 1 2 420.509 4.353 50 0 HIAALO CCc1nc2n(n1)C(=O)C([C@H](c1ccc(OC)cc1)[NH+]1C[C@H](C)C[C@@H](C)C1)S2 ZINC000016690124 569070644 /nfs/dbraw/zinc/07/06/44/569070644.db2.gz LROPGLBQDUOMDS-LBTNJELSSA-N 1 2 400.548 4.135 50 0 HIAALO Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)N[C@@H](C)Cc3ccsc3)csc2C1 ZINC000426651283 569073741 /nfs/dbraw/zinc/07/37/41/569073741.db2.gz JGMWQYWIBVKHAS-ZDUSSCGKSA-N 1 2 415.584 4.334 50 0 HIAALO Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)N[C@@H](C)Cc3ccsc3)csc2C1 ZINC000426651283 569073742 /nfs/dbraw/zinc/07/37/42/569073742.db2.gz JGMWQYWIBVKHAS-ZDUSSCGKSA-N 1 2 415.584 4.334 50 0 HIAALO O=C(Nc1ccc(Cl)cc1)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)C2CCCC2)CC1 ZINC000036311266 569132294 /nfs/dbraw/zinc/13/22/94/569132294.db2.gz CEHBAAXQEFOVLV-OAQYLSRUSA-N 1 2 417.981 4.172 50 0 HIAALO COc1ccc(C)cc1NC(=O)C[NH+]1CCC(c2nc(-c3ccc(F)cc3)no2)CC1 ZINC000065184168 569191193 /nfs/dbraw/zinc/19/11/93/569191193.db2.gz DAZLLDSQOJKYGD-UHFFFAOYSA-N 1 2 424.476 4.011 50 0 HIAALO O=C(C[NH+]1CCC(c2nc(-c3ccc(F)cc3)no2)CC1)Nc1ccccc1Cl ZINC000065184172 569191289 /nfs/dbraw/zinc/19/12/89/569191289.db2.gz XLGGGODTPTYCLB-UHFFFAOYSA-N 1 2 414.868 4.347 50 0 HIAALO C[C@H](c1ccc(F)cc1)N(C)CCS(=O)(=O)CC[N@H+](C)[C@H](C)c1ccc(F)cc1 ZINC000065209172 569195292 /nfs/dbraw/zinc/19/52/92/569195292.db2.gz LFNIWHVUJMGAHI-QZTJIDSGSA-N 1 2 424.557 4.065 50 0 HIAALO C[C@H](c1ccc(F)cc1)N(C)CCS(=O)(=O)CC[N@@H+](C)[C@H](C)c1ccc(F)cc1 ZINC000065209172 569195293 /nfs/dbraw/zinc/19/52/93/569195293.db2.gz LFNIWHVUJMGAHI-QZTJIDSGSA-N 1 2 424.557 4.065 50 0 HIAALO O=C(c1ccco1)N1CCC[C@]2(C1)Nc1ccccc1NC2=[NH+]Cc1ccccc1 ZINC000065259908 569210841 /nfs/dbraw/zinc/21/08/41/569210841.db2.gz YCGVAQSZFDMINA-XMMPIXPASA-N 1 2 400.482 4.200 50 0 HIAALO Cc1ccccc1OCC(=O)N1CCC[C@@]2(C1)Nc1ccccc1NC2=[NH+]C(C)(C)C ZINC000065260129 569211037 /nfs/dbraw/zinc/21/10/37/569211037.db2.gz LOAWPGICAKNTSQ-VWLOTQADSA-N 1 2 420.557 4.279 50 0 HIAALO COc1ccc(OC)c(NC(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2cccs2)c1 ZINC000037210671 569240482 /nfs/dbraw/zinc/24/04/82/569240482.db2.gz UEWIHMUVTSUABQ-OAQYLSRUSA-N 1 2 414.552 4.413 50 0 HIAALO COc1ccc(OC)c(NC(=O)C[N@H+]2CCc3sccc3[C@@H]2c2cccs2)c1 ZINC000037210671 569240483 /nfs/dbraw/zinc/24/04/83/569240483.db2.gz UEWIHMUVTSUABQ-OAQYLSRUSA-N 1 2 414.552 4.413 50 0 HIAALO CC(C)CNc1nnc(S[C@H](C)C(=O)Nc2ccc(-c3c[nH]c[nH+]3)cc2)s1 ZINC000170597171 569241944 /nfs/dbraw/zinc/24/19/44/569241944.db2.gz WPWCBQTXPKUVOY-GFCCVEGCSA-N 1 2 402.549 4.115 50 0 HIAALO C[C@H](Sc1[nH+]cnc2c1cnn2-c1ccc(F)cc1)C(=O)N1CCc2ccccc21 ZINC000013295271 569254847 /nfs/dbraw/zinc/25/48/47/569254847.db2.gz XOIIOGSJRSRSFI-AWEZNQCLSA-N 1 2 419.485 4.025 50 0 HIAALO O=C(NCc1ccc(N2CCOCC2)[nH+]c1)Nc1ccc(SC2CCCC2)cc1 ZINC000027345772 569294019 /nfs/dbraw/zinc/29/40/19/569294019.db2.gz YCXXMQJSRDDFMO-UHFFFAOYSA-N 1 2 412.559 4.275 50 0 HIAALO COc1cc(/C=C/C(=O)N[C@@H](c2[nH+]ccn2C)c2ccc(Cl)cc2)cc(OC)c1 ZINC000012507742 569401711 /nfs/dbraw/zinc/40/17/11/569401711.db2.gz AWEXCNMQVYJFNE-AZJBKQKUSA-N 1 2 411.889 4.010 50 0 HIAALO C[N@@H+]1CCc2nc3sc(C(=O)Nc4c(Cl)cccc4Cl)c(N)c3cc2C1 ZINC000019597402 569424965 /nfs/dbraw/zinc/42/49/65/569424965.db2.gz ZBSBDUQNYZUJNB-UHFFFAOYSA-N 1 2 407.326 4.426 50 0 HIAALO C[N@H+]1CCc2nc3sc(C(=O)Nc4c(Cl)cccc4Cl)c(N)c3cc2C1 ZINC000019597402 569424967 /nfs/dbraw/zinc/42/49/67/569424967.db2.gz ZBSBDUQNYZUJNB-UHFFFAOYSA-N 1 2 407.326 4.426 50 0 HIAALO COc1ccc(CNC(=O)[C@H](C)[N@H+](C)Cc2cccc(Cl)c2Cl)cc1OC ZINC000008533711 571075047 /nfs/dbraw/zinc/07/50/47/571075047.db2.gz LWRDYCPWTZQCMJ-ZDUSSCGKSA-N 1 2 411.329 4.147 50 0 HIAALO COc1ccc(CNC(=O)[C@H](C)[N@@H+](C)Cc2cccc(Cl)c2Cl)cc1OC ZINC000008533711 571075050 /nfs/dbraw/zinc/07/50/50/571075050.db2.gz LWRDYCPWTZQCMJ-ZDUSSCGKSA-N 1 2 411.329 4.147 50 0 HIAALO Clc1ccc(OCc2cccnc2)c(CN2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000040086358 571156765 /nfs/dbraw/zinc/15/67/65/571156765.db2.gz ZWQUOVMKPJWXGS-UHFFFAOYSA-N 1 2 408.933 4.027 50 0 HIAALO Cc1c(C)n(-c2ccc(Br)cn2)c2nc[nH+]c(NCc3cccnc3)c12 ZINC000008993230 571207979 /nfs/dbraw/zinc/20/79/79/571207979.db2.gz LGWNAFWAWHHYTM-UHFFFAOYSA-N 1 2 409.291 4.202 50 0 HIAALO CN(Cc1nc2ccccc2s1)C(=O)C[NH+]1CCC(c2nc3ccccc3o2)CC1 ZINC000009376152 571252847 /nfs/dbraw/zinc/25/28/47/571252847.db2.gz LQDNIQPYLIGKTG-UHFFFAOYSA-N 1 2 420.538 4.276 50 0 HIAALO O=C(CCCc1nc2ccccc2s1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000025436205 846976448 /nfs/dbraw/zinc/97/64/48/846976448.db2.gz SMEKGXATJXRAHS-JXMROGBWSA-N 1 2 405.567 4.477 50 0 HIAALO O=C(/C=C\c1ccc(Br)s1)N[C@@H](Cc1[nH]cc[nH+]1)c1ccccc1 ZINC000098053176 852651113 /nfs/dbraw/zinc/65/11/13/852651113.db2.gz AVZZFBXYQZFAKN-VIHMKRCTSA-N 1 2 402.317 4.347 50 0 HIAALO Cc1ccsc1C[NH+]1CC(Oc2ccc(-c3noc(-c4ccncc4)n3)cc2)C1 ZINC000575314970 948644893 /nfs/dbraw/zinc/64/48/93/948644893.db2.gz SCUVSLMZDGZYJN-UHFFFAOYSA-N 1 2 404.495 4.432 50 0 HIAALO O=C(Cc1cccc(F)c1)N1CCC2(CC1)C[C@@H](CCOc1cc[nH+]cc1)CCO2 ZINC000575552953 948678581 /nfs/dbraw/zinc/67/85/81/948678581.db2.gz LYYOYFHEABIQOR-IBGZPJMESA-N 1 2 412.505 4.020 50 0 HIAALO Cc1ccc(N2CCN(c3[nH+]cnc4c3cnn4-c3ccc(C)cc3C)C[C@@H]2C)cc1 ZINC000004658099 132280998 /nfs/dbraw/zinc/28/09/98/132280998.db2.gz XRIHYFHRBJCPID-FQEVSTJZSA-N 1 2 412.541 4.456 50 0 HIAALO Cc1cc(N2C[C@H](C)C[C@H](C)C2)[nH+]c2ccc(NC(=O)CCC(=O)NC(C)C)cc12 ZINC000004881819 132291480 /nfs/dbraw/zinc/29/14/80/132291480.db2.gz RAELXXFNQCAQTJ-CALCHBBNSA-N 1 2 410.562 4.269 50 0 HIAALO CCc1ccc(CNC(=S)Nc2ccc3[nH+]c(N4CCOCC4)cc(C)c3c2)cc1 ZINC000004969821 132297088 /nfs/dbraw/zinc/29/70/88/132297088.db2.gz WYCJGMBANWMBOP-UHFFFAOYSA-N 1 2 420.582 4.429 50 0 HIAALO Cc1ccc(C(=O)N2CCN(c3nc(C)[nH+]c(C)c3Cc3cccc(F)c3)CC2)cc1 ZINC000006845005 132319048 /nfs/dbraw/zinc/31/90/48/132319048.db2.gz UXNISXIGTHJKOE-UHFFFAOYSA-N 1 2 418.516 4.094 50 0 HIAALO COC(=O)c1cc2c(ccn(-c3cc(Cl)cc(Cl)c3)c2=O)nc1/C=C/[NH+](C)C ZINC000072406633 521918643 /nfs/dbraw/zinc/91/86/43/521918643.db2.gz KMRHRNLWUBIJEC-GQCTYLIASA-N 1 2 418.280 4.011 50 0 HIAALO Fc1ccc(C(c2ccc(F)cc2)[NH+]2CCN(c3ccnc(Cl)n3)CC2)cc1 ZINC000020031222 526325585 /nfs/dbraw/zinc/32/55/85/526325585.db2.gz KQVYTIPZVHNAMX-UHFFFAOYSA-N 1 2 400.860 4.320 50 0 HIAALO CCOc1ccc([C@@H](C2Sc3nc(C)nn3C2=O)[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000022626496 557101064 /nfs/dbraw/zinc/10/10/64/557101064.db2.gz AFKUFBSBDGUBHE-IYOUNJFTSA-N 1 2 400.548 4.271 50 0 HIAALO CCOc1ccc([C@@H](C2Sc3nc(C)nn3C2=O)[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000022626496 557101069 /nfs/dbraw/zinc/10/10/69/557101069.db2.gz AFKUFBSBDGUBHE-IYOUNJFTSA-N 1 2 400.548 4.271 50 0 HIAALO COc1ccc(CCNc2[nH+]cnc3c2cnn3-c2ccc(Cl)cc2)cc1OC ZINC000001143100 557205600 /nfs/dbraw/zinc/20/56/00/557205600.db2.gz IUAUXFQLDCQFKM-UHFFFAOYSA-N 1 2 409.877 4.141 50 0 HIAALO Cc1ccc(N2CC[NH+](Cc3ccc(C(=O)NCc4ccccc4)o3)CC2)cc1C ZINC000034668134 557361639 /nfs/dbraw/zinc/36/16/39/557361639.db2.gz ASSFLVCBSUJFGW-UHFFFAOYSA-N 1 2 403.526 4.149 50 0 HIAALO Cc1ccc(NC(=O)c2coc(CN3CC[NH+](Cc4ccc(F)cc4)CC3)n2)cc1C ZINC000034678169 557366222 /nfs/dbraw/zinc/36/62/22/557366222.db2.gz FPVSCCGTMPAXAR-UHFFFAOYSA-N 1 2 422.504 4.001 50 0 HIAALO COc1ccc(-c2nc(CC(=O)N[C@@H](C)c3ccc(-n4cc[nH+]c4)cc3)cs2)cc1 ZINC000008746484 557805175 /nfs/dbraw/zinc/80/51/75/557805175.db2.gz TVJZORZPSIMLTK-INIZCTEOSA-N 1 2 418.522 4.424 50 0 HIAALO COc1ccc(-c2nc(C[N@H+](Cc3c(C)nn(C)c3C)C(C)C)c(C)o2)cc1OC ZINC000011812877 558277746 /nfs/dbraw/zinc/27/77/46/558277746.db2.gz WSWNRGPYGNEHNA-UHFFFAOYSA-N 1 2 412.534 4.428 50 0 HIAALO COc1ccc(-c2nc(C[N@@H+](Cc3c(C)nn(C)c3C)C(C)C)c(C)o2)cc1OC ZINC000011812877 558277749 /nfs/dbraw/zinc/27/77/49/558277749.db2.gz WSWNRGPYGNEHNA-UHFFFAOYSA-N 1 2 412.534 4.428 50 0 HIAALO Cn1cc[nH+]c1CNC(=O)c1ccc2oc(-c3ccc(C(F)(F)F)cc3)nc2c1 ZINC000011936165 558300229 /nfs/dbraw/zinc/30/02/29/558300229.db2.gz CKMLLXFCPAVFFQ-UHFFFAOYSA-N 1 2 400.360 4.177 50 0 HIAALO CC(C)N(Cc1nc(C(c2ccccc2)c2ccccc2)no1)Cc1[nH+]ccn1C ZINC000012317104 558380538 /nfs/dbraw/zinc/38/05/38/558380538.db2.gz PVHMNUFRTGYCQD-UHFFFAOYSA-N 1 2 401.514 4.394 50 0 HIAALO CCc1ncc(C[N@@H+]2CCCC[C@@H]2C(=O)Nc2ccc(Oc3cccnc3)cc2)cn1 ZINC000012320835 558382543 /nfs/dbraw/zinc/38/25/43/558382543.db2.gz ZWIAZDOWFJKOGB-JOCHJYFZSA-N 1 2 417.513 4.220 50 0 HIAALO CCc1ncc(C[N@H+]2CCCC[C@@H]2C(=O)Nc2ccc(Oc3cccnc3)cc2)cn1 ZINC000012320835 558382546 /nfs/dbraw/zinc/38/25/46/558382546.db2.gz ZWIAZDOWFJKOGB-JOCHJYFZSA-N 1 2 417.513 4.220 50 0 HIAALO O=C(c1ccc2nc(-n3cccc3)sc2c1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020624930 558394657 /nfs/dbraw/zinc/39/46/57/558394657.db2.gz NBSXFICLOVHAQN-UHFFFAOYSA-N 1 2 402.523 4.045 50 0 HIAALO Cc1ccc(-n2ncc3c2nc[nH+]c3SCC(=O)Nc2ccccc2F)c(C)c1 ZINC000004341745 558425472 /nfs/dbraw/zinc/42/54/72/558425472.db2.gz VBSUBYXWODWZGF-UHFFFAOYSA-N 1 2 407.474 4.302 50 0 HIAALO COc1cc(Nc2ncc3c(n2)CC[N@@H+](Cc2ccccc2Cl)C3)cc(OC)c1 ZINC000021038764 558430050 /nfs/dbraw/zinc/43/00/50/558430050.db2.gz QJARMJDFOARPHP-UHFFFAOYSA-N 1 2 410.905 4.449 50 0 HIAALO COc1cc(Nc2ncc3c(n2)CC[N@H+](Cc2ccccc2Cl)C3)cc(OC)c1 ZINC000021038764 558430056 /nfs/dbraw/zinc/43/00/56/558430056.db2.gz QJARMJDFOARPHP-UHFFFAOYSA-N 1 2 410.905 4.449 50 0 HIAALO CC[C@@H](C)N(C(=O)CSc1[nH+]cnc2c1cnn2-c1ccc(F)cc1)[C@@H](C)CC ZINC000021602836 558443290 /nfs/dbraw/zinc/44/32/90/558443290.db2.gz LHYAKCADBNJEJH-GASCZTMLSA-N 1 2 415.538 4.472 50 0 HIAALO COc1cc(OC)c(NC(=O)C[N@@H+](Cc2cccs2)C[C@@H]2CCCO2)cc1Cl ZINC000022063530 558461167 /nfs/dbraw/zinc/46/11/67/558461167.db2.gz CMYXDHAGZPINIH-AWEZNQCLSA-N 1 2 424.950 4.038 50 0 HIAALO COc1cc(OC)c(NC(=O)C[N@H+](Cc2cccs2)C[C@@H]2CCCO2)cc1Cl ZINC000022063530 558461169 /nfs/dbraw/zinc/46/11/69/558461169.db2.gz CMYXDHAGZPINIH-AWEZNQCLSA-N 1 2 424.950 4.038 50 0 HIAALO Cn1cccc1[C@H]1CCC[N@@H+]1CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000012984150 558494546 /nfs/dbraw/zinc/49/45/46/558494546.db2.gz CYDPAIPPAADIFU-GOSISDBHSA-N 1 2 402.470 4.202 50 0 HIAALO Cn1cccc1[C@H]1CCC[N@H+]1CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000012984150 558494548 /nfs/dbraw/zinc/49/45/48/558494548.db2.gz CYDPAIPPAADIFU-GOSISDBHSA-N 1 2 402.470 4.202 50 0 HIAALO CCCc1ccc([C@H](C)NC(=O)C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1 ZINC000022751850 558507405 /nfs/dbraw/zinc/50/74/05/558507405.db2.gz WMNIVWUYZMUEOZ-IBGZPJMESA-N 1 2 413.993 4.288 50 0 HIAALO CCCc1ccc([C@H](C)NC(=O)CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000022751850 558507408 /nfs/dbraw/zinc/50/74/08/558507408.db2.gz WMNIVWUYZMUEOZ-IBGZPJMESA-N 1 2 413.993 4.288 50 0 HIAALO COc1cccc(C[N@H+](C)CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1OC ZINC000013056022 558508462 /nfs/dbraw/zinc/50/84/62/558508462.db2.gz FAYVIJDBGGFLIT-UHFFFAOYSA-N 1 2 416.827 4.447 50 0 HIAALO COc1cccc(C[N@@H+](C)CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1OC ZINC000013056022 558508465 /nfs/dbraw/zinc/50/84/65/558508465.db2.gz FAYVIJDBGGFLIT-UHFFFAOYSA-N 1 2 416.827 4.447 50 0 HIAALO CC(C)c1ccc([C@]2(C)NC(=O)N(C[N@H+]3CC=C(c4ccccc4)CC3)C2=O)cc1 ZINC000013097727 558513903 /nfs/dbraw/zinc/51/39/03/558513903.db2.gz HNALWWJIKYUGFW-VWLOTQADSA-N 1 2 403.526 4.324 50 0 HIAALO CC(C)c1ccc([C@]2(C)NC(=O)N(C[N@@H+]3CC=C(c4ccccc4)CC3)C2=O)cc1 ZINC000013097727 558513905 /nfs/dbraw/zinc/51/39/05/558513905.db2.gz HNALWWJIKYUGFW-VWLOTQADSA-N 1 2 403.526 4.324 50 0 HIAALO Cc1nc2cc(C(=O)N3CC[NH+](Cc4ccsc4)CC3)ccc2n1-c1ccccc1 ZINC000023957052 558582546 /nfs/dbraw/zinc/58/25/46/558582546.db2.gz ZMPIHBPNGRWRDB-UHFFFAOYSA-N 1 2 416.550 4.353 50 0 HIAALO COC(=O)c1ccc(NC(=O)c2cccc(OCc3cn4cccc(C)c4[nH+]3)c2)s1 ZINC000025052831 558629008 /nfs/dbraw/zinc/62/90/08/558629008.db2.gz FTHMOKIDVYPUNF-UHFFFAOYSA-N 1 2 421.478 4.322 50 0 HIAALO COc1ccc(C[NH+]2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)cc1OC ZINC000014185297 558630238 /nfs/dbraw/zinc/63/02/38/558630238.db2.gz CFUMZWAFNCNMJT-UHFFFAOYSA-N 1 2 424.328 4.360 50 0 HIAALO CC[N@H+](CCCNC(=O)C1CCN(c2nc3ccccc3o2)CC1)c1ccccc1 ZINC000014315497 558652372 /nfs/dbraw/zinc/65/23/72/558652372.db2.gz RPHBSOVWKXDXNN-UHFFFAOYSA-N 1 2 406.530 4.077 50 0 HIAALO CC[N@@H+](CCCNC(=O)C1CCN(c2nc3ccccc3o2)CC1)c1ccccc1 ZINC000014315497 558652375 /nfs/dbraw/zinc/65/23/75/558652375.db2.gz RPHBSOVWKXDXNN-UHFFFAOYSA-N 1 2 406.530 4.077 50 0 HIAALO O=C(CC[N@H+]1CCC[C@H]1C(=O)Nc1cc(Cl)ccc1Cl)Nc1ccccc1 ZINC000026604819 558663569 /nfs/dbraw/zinc/66/35/69/558663569.db2.gz MDEWSBJRWCJTAS-SFHVURJKSA-N 1 2 406.313 4.425 50 0 HIAALO O=C(CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(Cl)ccc1Cl)Nc1ccccc1 ZINC000026604819 558663571 /nfs/dbraw/zinc/66/35/71/558663571.db2.gz MDEWSBJRWCJTAS-SFHVURJKSA-N 1 2 406.313 4.425 50 0 HIAALO Cc1ccc2oc(C(=O)NC[C@@H](c3ccccc3Cl)[NH+]3CCCC3)cc(=O)c2c1 ZINC000027344456 558672276 /nfs/dbraw/zinc/67/22/76/558672276.db2.gz VIPNNTAMXPZMSY-IBGZPJMESA-N 1 2 410.901 4.322 50 0 HIAALO Cc1cc2oc(C(=O)NC[C@@H](c3ccccc3Cl)[NH+](C)C)cc(=O)c2cc1Cl ZINC000028289520 558696244 /nfs/dbraw/zinc/69/62/44/558696244.db2.gz AOFYYTNWMJDXAB-KRWDZBQOSA-N 1 2 419.308 4.441 50 0 HIAALO CC(C)(C)c1ccc([C@@H](CNC(=O)c2ccccc2Cl)[NH+]2CCOCC2)cc1 ZINC000028292043 558697917 /nfs/dbraw/zinc/69/79/17/558697917.db2.gz HJUBQFXIPAUDGB-OAQYLSRUSA-N 1 2 400.950 4.441 50 0 HIAALO COc1ccc([C@@H](NC(=O)c2cc(SC)ccc2Cl)c2[nH+]ccn2C)cc1 ZINC000016472816 558793048 /nfs/dbraw/zinc/79/30/48/558793048.db2.gz PACLAJDWPOPUCE-GOSISDBHSA-N 1 2 401.919 4.323 50 0 HIAALO COC(=O)c1ccc2c(=O)[nH]c(C[NH2+][C@@H](C)c3cc(F)c(Cl)cc3Cl)nc2c1 ZINC000016685208 558799760 /nfs/dbraw/zinc/79/97/60/558799760.db2.gz ZFNGEEHBCJJZPY-VIFPVBQESA-N 1 2 424.259 4.006 50 0 HIAALO Clc1ccccc1-c1nnc(SCC[NH+]2CCOCC2)n1-c1ccccc1 ZINC000036646230 558800823 /nfs/dbraw/zinc/80/08/23/558800823.db2.gz XDCAOIYLKIBUNV-UHFFFAOYSA-N 1 2 400.935 4.012 50 0 HIAALO O=C(c1nc2sccn2c1C[N@H+]1CC=C(c2ccc(F)cc2)CC1)N1CCCC1 ZINC000019221144 558851779 /nfs/dbraw/zinc/85/17/79/558851779.db2.gz PJJQROAITGQBOA-UHFFFAOYSA-N 1 2 410.518 4.060 50 0 HIAALO O=C(c1nc2sccn2c1C[N@@H+]1CC=C(c2ccc(F)cc2)CC1)N1CCCC1 ZINC000019221144 558851780 /nfs/dbraw/zinc/85/17/80/558851780.db2.gz PJJQROAITGQBOA-UHFFFAOYSA-N 1 2 410.518 4.060 50 0 HIAALO O=C(c1c[nH+]c2ccc(F)cc2c1NCc1ccc(F)cc1F)N1CCSCC1 ZINC000072328500 558864124 /nfs/dbraw/zinc/86/41/24/558864124.db2.gz XINZQXNLHGPYNT-UHFFFAOYSA-N 1 2 417.456 4.453 50 0 HIAALO CSc1ccc(CNC(=O)[C@H]2CCCN(c3[nH]c4ccc(Cl)cc4[nH+]3)C2)cc1 ZINC000033071574 558866612 /nfs/dbraw/zinc/86/66/12/558866612.db2.gz MCODRIGQRUZTJM-HNNXBMFYSA-N 1 2 414.962 4.471 50 0 HIAALO CCOc1ccccc1CNC(=O)C1CCN(c2[nH]c3ccc(Cl)cc3[nH+]2)CC1 ZINC000033071194 558866621 /nfs/dbraw/zinc/86/66/21/558866621.db2.gz XUDAUYVNIKHTON-UHFFFAOYSA-N 1 2 412.921 4.148 50 0 HIAALO Cc1nn(-c2ccccc2)c(C)c1[C@H]1C(=O)NCC[N@H+]1Cc1cccc2ccccc21 ZINC000058143222 558901625 /nfs/dbraw/zinc/90/16/25/558901625.db2.gz RTKNPKNERCZZPV-VWLOTQADSA-N 1 2 410.521 4.315 50 0 HIAALO Cc1nn(-c2ccccc2)c(C)c1[C@H]1C(=O)NCC[N@@H+]1Cc1cccc2ccccc21 ZINC000058143222 558901628 /nfs/dbraw/zinc/90/16/28/558901628.db2.gz RTKNPKNERCZZPV-VWLOTQADSA-N 1 2 410.521 4.315 50 0 HIAALO COc1cccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000058161224 558905425 /nfs/dbraw/zinc/90/54/25/558905425.db2.gz GLSINCFMYBZIBV-DEOSSOPVSA-N 1 2 401.510 4.197 50 0 HIAALO COc1coc(C[N@@H+]2CCC[C@@H](C(=O)c3ccc(-c4ccccc4)cc3)C2)cc1=O ZINC000071775526 558911564 /nfs/dbraw/zinc/91/15/64/558911564.db2.gz LULILKZFEJONJR-OAQYLSRUSA-N 1 2 403.478 4.410 50 0 HIAALO COc1coc(C[N@H+]2CCC[C@@H](C(=O)c3ccc(-c4ccccc4)cc3)C2)cc1=O ZINC000071775526 558911565 /nfs/dbraw/zinc/91/15/65/558911565.db2.gz LULILKZFEJONJR-OAQYLSRUSA-N 1 2 403.478 4.410 50 0 HIAALO CC(C)CCNC(=O)c1ccc2cc[nH+]c(N3CCN(c4ccccc4)CC3)c2c1 ZINC000065002470 558968841 /nfs/dbraw/zinc/96/88/41/558968841.db2.gz LOTZYMUOEDEGFF-UHFFFAOYSA-N 1 2 402.542 4.337 50 0 HIAALO CCc1noc(C[N@H+](C)Cc2cc3cc4c(cc3nc2-c2ccc(F)cc2)OCO4)n1 ZINC000072421275 558978329 /nfs/dbraw/zinc/97/83/29/558978329.db2.gz LFWTVRMBXJCXLU-UHFFFAOYSA-N 1 2 420.444 4.347 50 0 HIAALO CCc1noc(C[N@@H+](C)Cc2cc3cc4c(cc3nc2-c2ccc(F)cc2)OCO4)n1 ZINC000072421275 558978332 /nfs/dbraw/zinc/97/83/32/558978332.db2.gz LFWTVRMBXJCXLU-UHFFFAOYSA-N 1 2 420.444 4.347 50 0 HIAALO O=C(C1CCCCC1)N(CCC[NH+]1CCOCC1)c1nc2c(cc(F)cc2F)s1 ZINC000022997767 558982024 /nfs/dbraw/zinc/98/20/24/558982024.db2.gz CRDASMMIRIIFCZ-UHFFFAOYSA-N 1 2 423.529 4.210 50 0 HIAALO Cc1ccc(C(=O)N(CCC[NH+]2CCOCC2)c2nc3ccc(F)cc3s2)cc1 ZINC000022997683 558982053 /nfs/dbraw/zinc/98/20/53/558982053.db2.gz QRVBSHAFKNHVAD-UHFFFAOYSA-N 1 2 413.518 4.113 50 0 HIAALO COc1ccc(Cl)cc1C(=O)NC[C@H](c1cccc2ccccc21)[NH+]1CCOCC1 ZINC000023106410 559010091 /nfs/dbraw/zinc/01/00/91/559010091.db2.gz MFGGCVIOJUGRQU-JOCHJYFZSA-N 1 2 424.928 4.305 50 0 HIAALO COc1ccc(OC)c(C(=O)c2oc3ccccc3c2NC(=O)C[NH+]2CCCCC2)c1 ZINC000004749047 559047241 /nfs/dbraw/zinc/04/72/41/559047241.db2.gz CZGOPSLDGQTBTJ-UHFFFAOYSA-N 1 2 422.481 4.105 50 0 HIAALO Cc1cc(N[C@H]2CC(C)(C)Cc3nc(N4CCOCC4)ncc32)[nH+]c2ccccc12 ZINC000091896070 559074571 /nfs/dbraw/zinc/07/45/71/559074571.db2.gz CBZLFWBXCAZANY-FQEVSTJZSA-N 1 2 403.530 4.295 50 0 HIAALO Cc1cccc2cc(C(=O)N3CCC[C@H](c4[nH+]ccn4Cc4ccncc4)C3)oc21 ZINC000095502242 559082471 /nfs/dbraw/zinc/08/24/71/559082471.db2.gz CYPVBIFUVVYLJK-FQEVSTJZSA-N 1 2 400.482 4.401 50 0 HIAALO O=C1C[C@H]([N@@H+]2CC=C(c3ccc(F)cc3)CC2)C(=O)N1c1ccc(F)c(Cl)c1 ZINC000100198633 559131736 /nfs/dbraw/zinc/13/17/36/559131736.db2.gz RRSBIJGIDUJPME-IBGZPJMESA-N 1 2 402.828 4.039 50 0 HIAALO O=C1C[C@H]([N@H+]2CC=C(c3ccc(F)cc3)CC2)C(=O)N1c1ccc(F)c(Cl)c1 ZINC000100198633 559131737 /nfs/dbraw/zinc/13/17/37/559131737.db2.gz RRSBIJGIDUJPME-IBGZPJMESA-N 1 2 402.828 4.039 50 0 HIAALO CCc1ccccc1N(C(C)=O)c1nc(CSc2[nH+]cnc3c2cnn3C)cs1 ZINC000011683235 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ZINC000036447693 569184230 /nfs/dbraw/zinc/18/42/30/569184230.db2.gz QKUNSYHRPNBUMT-DEOSSOPVSA-N 1 2 422.550 4.029 50 0 HIAALO C[C@]1(c2ccccc2)NC(=O)N(C[N@@H+]2CCc3sccc3[C@H]2c2ccccc2)C1=O ZINC000036490182 569192073 /nfs/dbraw/zinc/19/20/73/569192073.db2.gz NWZBGHKLCRFKDI-ZJSXRUAMSA-N 1 2 417.534 4.120 50 0 HIAALO C[C@]1(c2ccccc2)NC(=O)N(C[N@H+]2CCc3sccc3[C@H]2c2ccccc2)C1=O ZINC000036490182 569192075 /nfs/dbraw/zinc/19/20/75/569192075.db2.gz NWZBGHKLCRFKDI-ZJSXRUAMSA-N 1 2 417.534 4.120 50 0 HIAALO CCCNc1cc(N2CCC[C@@H](CCC(=O)N[C@@H](C)c3cccs3)C2)nc[nH+]1 ZINC000065244879 569204977 /nfs/dbraw/zinc/20/49/77/569204977.db2.gz VYSVIKOVMUELNO-IRXDYDNUSA-N 1 2 401.580 4.234 50 0 HIAALO CCCNc1cc(N2CCC[C@@H](CCC(=O)N[C@@H](C)c3cccs3)C2)[nH+]cn1 ZINC000065244879 569204978 /nfs/dbraw/zinc/20/49/78/569204978.db2.gz VYSVIKOVMUELNO-IRXDYDNUSA-N 1 2 401.580 4.234 50 0 HIAALO O=C(c1cccc(F)c1)N1CCC[C@]2(C1)Nc1ccccc1NC2=[NH+]C1CCCC1 ZINC000065259962 569210861 /nfs/dbraw/zinc/21/08/61/569210861.db2.gz HDDIGMTWFLSOMJ-XMMPIXPASA-N 1 2 406.505 4.488 50 0 HIAALO O=C(C[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1)NCCc1c[nH]c2ccccc12 ZINC000007360078 569234969 /nfs/dbraw/zinc/23/49/69/569234969.db2.gz RAXAIVFKRZAVPN-HXUWFJFHSA-N 1 2 404.539 4.273 50 0 HIAALO O=C(C[N@H+]1CCC[C@@H]1c1nc2ccccc2s1)NCCc1c[nH]c2ccccc12 ZINC000007360078 569234970 /nfs/dbraw/zinc/23/49/70/569234970.db2.gz RAXAIVFKRZAVPN-HXUWFJFHSA-N 1 2 404.539 4.273 50 0 HIAALO O=C(C[N@@H+]1CCC[C@H]1c1nc2ccccc2s1)Nc1ccc(N2CCCC2=O)cc1 ZINC000007359965 569235058 /nfs/dbraw/zinc/23/50/58/569235058.db2.gz AYLIFIFLWGADOI-IBGZPJMESA-N 1 2 420.538 4.199 50 0 HIAALO O=C(C[N@H+]1CCC[C@H]1c1nc2ccccc2s1)Nc1ccc(N2CCCC2=O)cc1 ZINC000007359965 569235060 /nfs/dbraw/zinc/23/50/60/569235060.db2.gz AYLIFIFLWGADOI-IBGZPJMESA-N 1 2 420.538 4.199 50 0 HIAALO O=C(CCc1ncc(-c2ccccc2)o1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000054569348 569289906 /nfs/dbraw/zinc/28/99/06/569289906.db2.gz CDNOFWMFYZEXPA-JXMROGBWSA-N 1 2 401.510 4.132 50 0 HIAALO CCOc1ccc(C[NH+]2CCN(Cc3nc(-c4ccc(Cl)cc4)no3)CC2)cc1 ZINC000027568230 569373854 /nfs/dbraw/zinc/37/38/54/569373854.db2.gz HUNQOIXAHGXMMF-UHFFFAOYSA-N 1 2 412.921 4.107 50 0 HIAALO O=C(CSc1[nH+]cnc2c1cnn2-c1ccc(Cl)cc1)Nc1ccccc1F ZINC000002444972 569401181 /nfs/dbraw/zinc/40/11/81/569401181.db2.gz MOHIWFRKEDLCLU-UHFFFAOYSA-N 1 2 413.865 4.339 50 0 HIAALO c1ccc(-n2c(C[NH+]3CCCC3)nnc2SCCCc2nc3ccccc3[nH]2)cc1 ZINC000328596155 569415977 /nfs/dbraw/zinc/41/59/77/569415977.db2.gz VGYORXHGSGGUDO-UHFFFAOYSA-N 1 2 418.570 4.464 50 0 HIAALO COc1ccc(Br)cc1C[N@H+](C)CC(=O)N1CCC[C@H]1c1cccs1 ZINC000008940103 571166689 /nfs/dbraw/zinc/16/66/89/571166689.db2.gz TYTDCNPKARWMIA-INIZCTEOSA-N 1 2 423.376 4.315 50 0 HIAALO COc1ccc(Br)cc1C[N@@H+](C)CC(=O)N1CCC[C@H]1c1cccs1 ZINC000008940103 571166690 /nfs/dbraw/zinc/16/66/90/571166690.db2.gz TYTDCNPKARWMIA-INIZCTEOSA-N 1 2 423.376 4.315 50 0 HIAALO C[C@H](NC(=O)c1ccc(NC(=O)c2ccco2)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000009366846 571252213 /nfs/dbraw/zinc/25/22/13/571252213.db2.gz BHSDZKJTVUHGQP-INIZCTEOSA-N 1 2 400.438 4.209 50 0 HIAALO Cc1ccccc1-n1ccnc1SCC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000009378400 571253402 /nfs/dbraw/zinc/25/34/02/571253402.db2.gz VJEYTSPPRUOFHO-SFHVURJKSA-N 1 2 417.538 4.336 50 0 HIAALO COc1cc2c(cc1OC)C[N@H+](Cc1c(C)nn(Cc3ccccc3)c1Cl)CC2 ZINC000070005709 571253701 /nfs/dbraw/zinc/25/37/01/571253701.db2.gz PCILCIDYXDCRSX-UHFFFAOYSA-N 1 2 411.933 4.469 50 0 HIAALO COc1cc2c(cc1OC)C[N@@H+](Cc1c(C)nn(Cc3ccccc3)c1Cl)CC2 ZINC000070005709 571253703 /nfs/dbraw/zinc/25/37/03/571253703.db2.gz PCILCIDYXDCRSX-UHFFFAOYSA-N 1 2 411.933 4.469 50 0 HIAALO COc1cccc2sc(N(CCCn3cc[nH+]c3)C(=O)Cc3ccc(F)cc3)nc21 ZINC000010381547 571301609 /nfs/dbraw/zinc/30/16/09/571301609.db2.gz RFPRZFYTEPWUJV-UHFFFAOYSA-N 1 2 424.501 4.307 50 0 HIAALO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@@H+]1CCc2sccc2[C@H]1C1CC1 ZINC000007880188 845439596 /nfs/dbraw/zinc/43/95/96/845439596.db2.gz BQBVYFGTZBHKFP-HSZRJFAPSA-N 1 2 406.555 4.499 50 0 HIAALO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@H+]1CCc2sccc2[C@H]1C1CC1 ZINC000007880188 845439600 /nfs/dbraw/zinc/43/96/00/845439600.db2.gz BQBVYFGTZBHKFP-HSZRJFAPSA-N 1 2 406.555 4.499 50 0 HIAALO CCC[C@H](NC(=O)[C@H](C)N1CC[NH+](C/C=C/c2ccccc2)CC1)c1ccccc1 ZINC000022774260 846618190 /nfs/dbraw/zinc/61/81/90/846618190.db2.gz PXAONHLXWDLOMQ-AJFTWMAPSA-N 1 2 405.586 4.364 50 0 HIAALO Cc1cc(N2CCCCC2)[nH+]c2ccc(NC(=O)CCC(=O)NC3CCCC3)cc12 ZINC000004563845 132278694 /nfs/dbraw/zinc/27/86/94/132278694.db2.gz YYVFXQGPODIJAN-UHFFFAOYSA-N 1 2 408.546 4.311 50 0 HIAALO Cc1cccc(N2CCN(c3[nH+]cnc4c3cnn4-c3ccc(C)cc3C)C[C@@H]2C)c1 ZINC000004658103 132281033 /nfs/dbraw/zinc/28/10/33/132281033.db2.gz OERRJPGSRUNPKB-FQEVSTJZSA-N 1 2 412.541 4.456 50 0 HIAALO Cc1[nH+]c2cc(NC(=O)C3=NN(c4ccccc4)C(=O)CC3)ccc2n1-c1ccccc1 ZINC000012546556 132362941 /nfs/dbraw/zinc/36/29/41/132362941.db2.gz GEPJPJUMWYXBRU-UHFFFAOYSA-N 1 2 423.476 4.455 50 0 HIAALO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)Nc2ccc(OC)cc2)cc1 ZINC000045031690 520965711 /nfs/dbraw/zinc/96/57/11/520965711.db2.gz XSGRLNPISNLXKQ-UHFFFAOYSA-N 1 2 408.502 4.415 50 0 HIAALO COc1ccc(NC(=O)Nc2ccc3[nH+]c(N4CCOCC4)cc(C)c3c2)cc1OC ZINC000032953845 524579095 /nfs/dbraw/zinc/57/90/95/524579095.db2.gz RUFUDMZJHOWRAQ-UHFFFAOYSA-N 1 2 422.485 4.041 50 0 HIAALO Cc1ccc([C@H](CNc2nc(-c3cccnc3)nc3ccccc32)[NH+]2CCOCC2)o1 ZINC000032853500 525961713 /nfs/dbraw/zinc/96/17/13/525961713.db2.gz WVOYADKTEBJMSE-NRFANRHFSA-N 1 2 415.497 4.079 50 0 HIAALO C[C@H](c1cc2ccccc2o1)N(C)C(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000032779749 526039453 /nfs/dbraw/zinc/03/94/53/526039453.db2.gz BIRJJJOHWBWTLT-WIYYLYMNSA-N 1 2 407.514 4.209 50 0 HIAALO O=C(c1ccc(F)cc1)c1ccccc1C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000040052376 526691312 /nfs/dbraw/zinc/69/13/12/526691312.db2.gz UBNBMSPIAOIJJB-UHFFFAOYSA-N 1 2 416.496 4.057 50 0 HIAALO Cc1nc2sc3c(c2c2nc(-c4ccco4)nn21)CC[N@@H+](Cc1ccccc1)C3 ZINC000020566528 527208465 /nfs/dbraw/zinc/20/84/65/527208465.db2.gz ITKFCJZOBDHCLE-UHFFFAOYSA-N 1 2 401.495 4.466 50 0 HIAALO Cc1nc2sc3c(c2c2nc(-c4ccco4)nn21)CC[N@H+](Cc1ccccc1)C3 ZINC000020566528 527208471 /nfs/dbraw/zinc/20/84/71/527208471.db2.gz ITKFCJZOBDHCLE-UHFFFAOYSA-N 1 2 401.495 4.466 50 0 HIAALO Cc1nn(-c2ccccc2)c(C)c1CNC(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000032802121 527541059 /nfs/dbraw/zinc/54/10/59/527541059.db2.gz KYIPEEYFJYRUSC-QGZVFWFLSA-N 1 2 414.513 4.235 50 0 HIAALO CC(C)CN(C[C@H]1C[N@H+](Cc2ccccc2Cl)CCO1)C(=O)c1ccc(F)cc1 ZINC000034687190 557370813 /nfs/dbraw/zinc/37/08/13/557370813.db2.gz VIROLKZBYAOLCG-OAQYLSRUSA-N 1 2 418.940 4.478 50 0 HIAALO CC(C)CN(C[C@H]1C[N@@H+](Cc2ccccc2Cl)CCO1)C(=O)c1ccc(F)cc1 ZINC000034687190 557370818 /nfs/dbraw/zinc/37/08/18/557370818.db2.gz VIROLKZBYAOLCG-OAQYLSRUSA-N 1 2 418.940 4.478 50 0 HIAALO COc1ccc(C[N@@H+]2CCO[C@H](CN(C(=O)c3ccc(C)cc3)C3CCCC3)C2)cc1 ZINC000034692009 557372446 /nfs/dbraw/zinc/37/24/46/557372446.db2.gz ULCRSRHATGDZMA-VWLOTQADSA-N 1 2 422.569 4.289 50 0 HIAALO COc1ccc(C[N@H+]2CCO[C@H](CN(C(=O)c3ccc(C)cc3)C3CCCC3)C2)cc1 ZINC000034692009 557372449 /nfs/dbraw/zinc/37/24/49/557372449.db2.gz ULCRSRHATGDZMA-VWLOTQADSA-N 1 2 422.569 4.289 50 0 HIAALO COc1ccc(C[N@@H+]2CCO[C@@H](CN(C(=O)c3ccc(C)cc3)C3CCCC3)C2)cc1 ZINC000034692010 557372458 /nfs/dbraw/zinc/37/24/58/557372458.db2.gz ULCRSRHATGDZMA-RUZDIDTESA-N 1 2 422.569 4.289 50 0 HIAALO COc1ccc(C[N@H+]2CCO[C@@H](CN(C(=O)c3ccc(C)cc3)C3CCCC3)C2)cc1 ZINC000034692010 557372461 /nfs/dbraw/zinc/37/24/61/557372461.db2.gz ULCRSRHATGDZMA-RUZDIDTESA-N 1 2 422.569 4.289 50 0 HIAALO O=C(NCCCn1cc[nH+]c1)c1cc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1 ZINC000002736309 557374586 /nfs/dbraw/zinc/37/45/86/557374586.db2.gz RIGHCDSORZCRDE-UHFFFAOYSA-N 1 2 422.492 4.080 50 0 HIAALO COc1cc2c(cc1OC)[C@@H](CNC(=O)c1ccco1)[N@H+](Cc1cccc(C)c1)CC2 ZINC000034857478 557477565 /nfs/dbraw/zinc/47/75/65/557477565.db2.gz IBTLTZNNQJGRJD-OAQYLSRUSA-N 1 2 420.509 4.135 50 0 HIAALO COc1cc2c(cc1OC)[C@@H](CNC(=O)c1ccco1)[N@@H+](Cc1cccc(C)c1)CC2 ZINC000034857478 557477567 /nfs/dbraw/zinc/47/75/67/557477567.db2.gz IBTLTZNNQJGRJD-OAQYLSRUSA-N 1 2 420.509 4.135 50 0 HIAALO COc1cc2c(cc1OC)[C@H](CNC(=O)c1ccco1)[N@H+](Cc1cccc(C)c1)CC2 ZINC000034857481 557477831 /nfs/dbraw/zinc/47/78/31/557477831.db2.gz IBTLTZNNQJGRJD-NRFANRHFSA-N 1 2 420.509 4.135 50 0 HIAALO COc1cc2c(cc1OC)[C@H](CNC(=O)c1ccco1)[N@@H+](Cc1cccc(C)c1)CC2 ZINC000034857481 557477837 /nfs/dbraw/zinc/47/78/37/557477837.db2.gz IBTLTZNNQJGRJD-NRFANRHFSA-N 1 2 420.509 4.135 50 0 HIAALO C[C@H](NC(=O)c1sc2nc3c(cc2c1N)C[N@@H+](C)CC3)C12CC3CC(CC(C3)C1)C2 ZINC000008748347 557805451 /nfs/dbraw/zinc/80/54/51/557805451.db2.gz WRBGNSXIACYCAN-ZBNOLQPOSA-N 1 2 424.614 4.201 50 0 HIAALO C[C@H](NC(=O)c1sc2nc3c(cc2c1N)C[N@H+](C)CC3)C12CC3CC(CC(C3)C1)C2 ZINC000008748347 557805453 /nfs/dbraw/zinc/80/54/53/557805453.db2.gz WRBGNSXIACYCAN-ZBNOLQPOSA-N 1 2 424.614 4.201 50 0 HIAALO CCOc1ccc([C@H](C2Sc3nc(CC)nn3C2=O)[NH+]2CCC(C)CC2)cc1 ZINC000022853368 557840299 /nfs/dbraw/zinc/84/02/99/557840299.db2.gz FHZAIHJZVIDXRY-GOSISDBHSA-N 1 2 400.548 4.279 50 0 HIAALO CCOc1ccc([C@@H](C2Sc3nc(CC)nn3C2=O)[NH+]2CCC(C)CC2)cc1 ZINC000022853371 557840338 /nfs/dbraw/zinc/84/03/38/557840338.db2.gz FHZAIHJZVIDXRY-SFHVURJKSA-N 1 2 400.548 4.279 50 0 HIAALO COc1cccc(C[NH+]2CCN(C(=O)C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000019789210 558281963 /nfs/dbraw/zinc/28/19/63/558281963.db2.gz ZCTYFJJLBUDWTK-UHFFFAOYSA-N 1 2 400.522 4.172 50 0 HIAALO Cc1ccc(-c2cccc(CN3CC[N@H+](Cc4cccc(C)n4)[C@@H](CCO)C3)c2)o1 ZINC000019836942 558293162 /nfs/dbraw/zinc/29/31/62/558293162.db2.gz SPQMMXOCOFCUMT-DEOSSOPVSA-N 1 2 405.542 4.027 50 0 HIAALO Cc1ccc(-c2cccc(CN3CC[N@@H+](Cc4cccc(C)n4)[C@@H](CCO)C3)c2)o1 ZINC000019836942 558293165 /nfs/dbraw/zinc/29/31/65/558293165.db2.gz SPQMMXOCOFCUMT-DEOSSOPVSA-N 1 2 405.542 4.027 50 0 HIAALO COc1ccc(OCCn2c3ccccc3n(CCOc3ccccc3)c2=[NH2+])cc1 ZINC000019900327 558305083 /nfs/dbraw/zinc/30/50/83/558305083.db2.gz LDVMCUBDDQOZQV-UHFFFAOYSA-N 1 2 403.482 4.089 50 0 HIAALO O=C(c1cccc(-c2nnc(-c3ccccc3)o2)c1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019928908 558309159 /nfs/dbraw/zinc/30/91/59/558309159.db2.gz MAEVJHKXUOYUMW-UHFFFAOYSA-N 1 2 424.504 4.362 50 0 HIAALO Cc1ccc2c(c1)c1c(n2C[C@@H](O)CN2CC[NH+](Cc3ccccc3)CC2)CCCC1 ZINC000020059510 558329088 /nfs/dbraw/zinc/32/90/88/558329088.db2.gz JIWLKQFUADLPCW-QHCPKHFHSA-N 1 2 417.597 4.007 50 0 HIAALO c1ccc(OCCOCC[NH+]2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000020118523 558336821 /nfs/dbraw/zinc/33/68/21/558336821.db2.gz XGYJQKQULCSLIR-UHFFFAOYSA-N 1 2 416.565 4.489 50 0 HIAALO CSc1nc2sc3c(c2c(SCC(=O)Nc2ccccc2)n1)CC[N@@H+](C)C3 ZINC000020357487 558357883 /nfs/dbraw/zinc/35/78/83/558357883.db2.gz VSHLODNPTXZQMK-UHFFFAOYSA-N 1 2 416.597 4.132 50 0 HIAALO CSc1nc2sc3c(c2c(SCC(=O)Nc2ccccc2)n1)CC[N@H+](C)C3 ZINC000020357487 558357886 /nfs/dbraw/zinc/35/78/86/558357886.db2.gz VSHLODNPTXZQMK-UHFFFAOYSA-N 1 2 416.597 4.132 50 0 HIAALO O=C(c1nnc(-c2ccccc2)o1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020432000 558362656 /nfs/dbraw/zinc/36/26/56/558362656.db2.gz LKYCGZFZXHQEQN-UHFFFAOYSA-N 1 2 424.504 4.284 50 0 HIAALO Cc1oc(-c2cccs2)nc1CC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000021135175 558431937 /nfs/dbraw/zinc/43/19/37/558431937.db2.gz KUZCTTMXTXUGCR-UHFFFAOYSA-N 1 2 402.545 4.335 50 0 HIAALO COc1ccc(C[N@@H+]2CCC[C@@H](C(=O)c3cc(F)ccc3F)C2)c(OC)c1OC ZINC000012584531 558433639 /nfs/dbraw/zinc/43/36/39/558433639.db2.gz CPPQTMYEFABFKB-CQSZACIVSA-N 1 2 405.441 4.086 50 0 HIAALO COc1ccc(C[N@H+]2CCC[C@@H](C(=O)c3cc(F)ccc3F)C2)c(OC)c1OC ZINC000012584531 558433642 /nfs/dbraw/zinc/43/36/42/558433642.db2.gz CPPQTMYEFABFKB-CQSZACIVSA-N 1 2 405.441 4.086 50 0 HIAALO Cc1cc(S[C@@H](C)C(=O)N2CC[NH+](Cc3ccccc3)CC2)nc2ccccc12 ZINC000012970629 558488869 /nfs/dbraw/zinc/48/88/69/558488869.db2.gz IJVOFPSLZOKUTQ-IBGZPJMESA-N 1 2 405.567 4.368 50 0 HIAALO Cc1ccc2c(C[NH+]3CCN(Cc4c(F)cccc4Cl)CC3)cc(=O)oc2c1 ZINC000023095991 558534023 /nfs/dbraw/zinc/53/40/23/558534023.db2.gz QWQLZCAPSQYVFC-UHFFFAOYSA-N 1 2 400.881 4.212 50 0 HIAALO C[N@@H+]1C[C@H](c2ccc(F)cc2)[C@@H](C(=O)c2ccccc2)[C@]12C(=O)Nc1ccc(F)cc12 ZINC000013553009 558539530 /nfs/dbraw/zinc/53/95/30/558539530.db2.gz CTFNOKWXZQKDNU-RZTXVSJASA-N 1 2 418.443 4.341 50 0 HIAALO C[N@H+]1C[C@H](c2ccc(F)cc2)[C@@H](C(=O)c2ccccc2)[C@]12C(=O)Nc1ccc(F)cc12 ZINC000013553009 558539532 /nfs/dbraw/zinc/53/95/32/558539532.db2.gz CTFNOKWXZQKDNU-RZTXVSJASA-N 1 2 418.443 4.341 50 0 HIAALO O[C@@]1(C(F)(F)F)C=C(C2CC2)[NH2+]N1c1nc(-c2cccs2)cc(C(F)(F)F)n1 ZINC000013643067 558555892 /nfs/dbraw/zinc/55/58/92/558555892.db2.gz HSKJQZMAAQIBSL-CQSZACIVSA-N 1 2 422.354 4.451 50 0 HIAALO O=C(c1ccc(-n2cnc3ccccc32)cc1)N1CC[NH+](Cc2ccccc2F)CC1 ZINC000023442019 558558438 /nfs/dbraw/zinc/55/84/38/558558438.db2.gz VVYPFCIYRPNKDE-UHFFFAOYSA-N 1 2 414.484 4.123 50 0 HIAALO O=C(NC[C@@H](c1cccs1)[NH+]1CCOCC1)C(c1ccccc1)c1ccccc1 ZINC000023744746 558573629 /nfs/dbraw/zinc/57/36/29/558573629.db2.gz PHDCJFOKJBHZFG-NRFANRHFSA-N 1 2 406.551 4.070 50 0 HIAALO C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(C[N@H+](Cc2ccc(F)cc2)C2CC2)C1=O ZINC000023852382 558577952 /nfs/dbraw/zinc/57/79/52/558577952.db2.gz BMISUGFWHPDSNO-VWLOTQADSA-N 1 2 417.484 4.368 50 0 HIAALO C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(C[N@@H+](Cc2ccc(F)cc2)C2CC2)C1=O ZINC000023852382 558577956 /nfs/dbraw/zinc/57/79/56/558577956.db2.gz BMISUGFWHPDSNO-VWLOTQADSA-N 1 2 417.484 4.368 50 0 HIAALO O=C(c1ccccc1SCc1ccccc1F)N1CC[NH+](Cc2ccncc2)CC1 ZINC000023873437 558579554 /nfs/dbraw/zinc/57/95/54/558579554.db2.gz PCVDEXNBGSLEGZ-UHFFFAOYSA-N 1 2 421.541 4.471 50 0 HIAALO C[N@@H+](Cc1ccc2c(c1)OCCO2)Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1 ZINC000023909407 558581458 /nfs/dbraw/zinc/58/14/58/558581458.db2.gz SJODBJKDEDHUMW-UHFFFAOYSA-N 1 2 419.506 4.055 50 0 HIAALO C[N@H+](Cc1ccc2c(c1)OCCO2)Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1 ZINC000023909407 558581461 /nfs/dbraw/zinc/58/14/61/558581461.db2.gz SJODBJKDEDHUMW-UHFFFAOYSA-N 1 2 419.506 4.055 50 0 HIAALO c1csc([C@H](CNc2nc(-c3cccnc3)nc3ccccc32)[NH+]2CCOCC2)c1 ZINC000024001797 558584419 /nfs/dbraw/zinc/58/44/19/558584419.db2.gz GEBHNEXPCSFTJW-FQEVSTJZSA-N 1 2 417.538 4.239 50 0 HIAALO COc1ccc(C[N@H+](C)[C@@H](C)c2nc(=O)c3c4c(sc3[nH]2)C[C@@H](C)CC4)cc1F ZINC000024072091 558587556 /nfs/dbraw/zinc/58/75/56/558587556.db2.gz USQGLMMIWNGYFN-STQMWFEESA-N 1 2 415.534 4.450 50 0 HIAALO COc1ccc(C[N@@H+](C)[C@@H](C)c2nc(=O)c3c4c(sc3[nH]2)C[C@@H](C)CC4)cc1F ZINC000024072091 558587558 /nfs/dbraw/zinc/58/75/58/558587558.db2.gz USQGLMMIWNGYFN-STQMWFEESA-N 1 2 415.534 4.450 50 0 HIAALO COc1ccc(CSc2nnc([C@@H](C)[NH+](C)C)n2-c2ccc(F)cc2)cc1F ZINC000004500409 558612581 /nfs/dbraw/zinc/61/25/81/558612581.db2.gz MVBNIHJHWAEJOD-CYBMUJFWSA-N 1 2 404.486 4.469 50 0 HIAALO Cc1nn(-c2ccccc2)c(C)c1C[N@@H+](C)[C@H](C(=O)N1CCCC1)c1ccccc1 ZINC000014095408 558619865 /nfs/dbraw/zinc/61/98/65/558619865.db2.gz ODFIGMMRYJHZLO-DEOSSOPVSA-N 1 2 402.542 4.285 50 0 HIAALO Cc1nn(-c2ccccc2)c(C)c1C[N@H+](C)[C@H](C(=O)N1CCCC1)c1ccccc1 ZINC000014095408 558619869 /nfs/dbraw/zinc/61/98/69/558619869.db2.gz ODFIGMMRYJHZLO-DEOSSOPVSA-N 1 2 402.542 4.285 50 0 HIAALO Cc1cccn2cc(COc3ccc(C(=O)Nc4nnc(C(C)C)s4)cc3)[nH+]c12 ZINC000024978132 558623805 /nfs/dbraw/zinc/62/38/05/558623805.db2.gz MMWQVHCUPIYHBC-UHFFFAOYSA-N 1 2 407.499 4.449 50 0 HIAALO Cn1c(Cc2cccs2)nn(C[NH+]2CCC(c3ccc(O)cc3)CC2)c1=S ZINC000014197744 558634332 /nfs/dbraw/zinc/63/43/32/558634332.db2.gz NDEYQTPIOMWNQW-UHFFFAOYSA-N 1 2 400.573 4.146 50 0 HIAALO C[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[NH+]1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC000014202384 558637610 /nfs/dbraw/zinc/63/76/10/558637610.db2.gz VIWGUBWZHGTCGY-QGZVFWFLSA-N 1 2 420.557 4.291 50 0 HIAALO COc1ccc([C@H]2C[NH2+][C@@]3(c4ccccc4N(C)C3=O)c3[nH]c4ccccc4c32)cc1 ZINC000025514154 558642335 /nfs/dbraw/zinc/64/23/35/558642335.db2.gz ZNKITLCLKOQVOO-BCHFMIIMSA-N 1 2 409.489 4.132 50 0 HIAALO CCCCNC(=S)N1CC[NH+](C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000025571381 558644070 /nfs/dbraw/zinc/64/40/70/558644070.db2.gz UJDQNFSQCSYPIR-UHFFFAOYSA-N 1 2 403.542 4.346 50 0 HIAALO COc1ccc(-c2cc(C[NH+]3CCN(c4ccc(C(F)(F)F)cn4)CC3)on2)cc1 ZINC000014246193 558647203 /nfs/dbraw/zinc/64/72/03/558647203.db2.gz UJGDKCJCCYGPDR-UHFFFAOYSA-N 1 2 418.419 4.086 50 0 HIAALO CC(C)[C@@H]([NH2+]Cc1nnc(C(=O)NCc2ccc(F)cc2)s1)c1cccs1 ZINC000026907949 558666677 /nfs/dbraw/zinc/66/66/77/558666677.db2.gz KTDMVXJVDDWZTP-QGZVFWFLSA-N 1 2 404.536 4.156 50 0 HIAALO CCCN1CC[NH+](CCCNc2nc(-c3ccc(OC)cc3)nc3ccccc32)CC1 ZINC000022937864 558726044 /nfs/dbraw/zinc/72/60/44/558726044.db2.gz CGOHCWJXPXFTKV-UHFFFAOYSA-N 1 2 419.573 4.135 50 0 HIAALO Cc1[nH+]cc(CNC(=O)Nc2ccc(C(=O)NC3CCCC3)cc2)n1-c1ccccc1 ZINC000072305597 558761036 /nfs/dbraw/zinc/76/10/36/558761036.db2.gz QEUCWRJTEPRIKI-UHFFFAOYSA-N 1 2 417.513 4.175 50 0 HIAALO C[N@H+](CC(=O)Nc1ccccc1Sc1ccc(Cl)cc1)C1CCS(=O)CC1 ZINC000072308569 558769610 /nfs/dbraw/zinc/76/96/10/558769610.db2.gz RXCYXGMHJPBSPC-UHFFFAOYSA-N 1 2 423.003 4.273 50 0 HIAALO C[N@@H+](CC(=O)Nc1ccccc1Sc1ccc(Cl)cc1)C1CCS(=O)CC1 ZINC000072308569 558769614 /nfs/dbraw/zinc/76/96/14/558769614.db2.gz RXCYXGMHJPBSPC-UHFFFAOYSA-N 1 2 423.003 4.273 50 0 HIAALO O=C(C[NH+]1CCN(c2ccccc2F)CC1)N1c2ccccc2CCc2ccccc21 ZINC000035904250 558795836 /nfs/dbraw/zinc/79/58/36/558795836.db2.gz LEBHMBHDNGFNQT-UHFFFAOYSA-N 1 2 415.512 4.411 50 0 HIAALO CCc1cccc(NC(=O)C[N@H+]2CC=C(c3cnn(-c4ccc(F)cc4)c3)CC2)c1 ZINC000032995897 558810448 /nfs/dbraw/zinc/81/04/48/558810448.db2.gz RRTDGXAGHUWECS-UHFFFAOYSA-N 1 2 404.489 4.302 50 0 HIAALO CCc1cccc(NC(=O)C[N@@H+]2CC=C(c3cnn(-c4ccc(F)cc4)c3)CC2)c1 ZINC000032995897 558810449 /nfs/dbraw/zinc/81/04/49/558810449.db2.gz RRTDGXAGHUWECS-UHFFFAOYSA-N 1 2 404.489 4.302 50 0 HIAALO COC(OC)[C@H](C)NC1=[NH+]c2ccc(Cl)cc2C(c2ccccc2Cl)=NC1 ZINC000039270879 558820063 /nfs/dbraw/zinc/82/00/63/558820063.db2.gz JYBQKLAFXNKION-LBPRGKRZSA-N 1 2 406.313 4.471 50 0 HIAALO Cn1c2ccccc2[nH+]c1N1CCN(C(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000033106550 558874254 /nfs/dbraw/zinc/87/42/54/558874254.db2.gz YRVIAFHCEMRFRF-UHFFFAOYSA-N 1 2 404.301 4.234 50 0 HIAALO COc1ccc(Br)cc1CN1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000019361770 558876537 /nfs/dbraw/zinc/87/65/37/558876537.db2.gz UUTYXLLOHNROJQ-UHFFFAOYSA-N 1 2 409.755 4.429 50 0 HIAALO CC[N@H+](CCCNC(=O)[C@H]1CC(=O)N(C2CCCCCCC2)C1)c1cccc(C)c1 ZINC000004669462 558877404 /nfs/dbraw/zinc/87/74/04/558877404.db2.gz NCUNBUZXOWGXBJ-NRFANRHFSA-N 1 2 413.606 4.289 50 0 HIAALO CC[N@@H+](CCCNC(=O)[C@H]1CC(=O)N(C2CCCCCCC2)C1)c1cccc(C)c1 ZINC000004669462 558877407 /nfs/dbraw/zinc/87/74/07/558877407.db2.gz NCUNBUZXOWGXBJ-NRFANRHFSA-N 1 2 413.606 4.289 50 0 HIAALO O=C(Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)c1c(Cl)nc2ccccn21 ZINC000057985855 558892434 /nfs/dbraw/zinc/89/24/34/558892434.db2.gz RMJUZFWDNSEDJZ-UHFFFAOYSA-N 1 2 423.929 4.255 50 0 HIAALO O=C(Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)c1c(Cl)nc2ccccn21 ZINC000057985855 558892438 /nfs/dbraw/zinc/89/24/38/558892438.db2.gz RMJUZFWDNSEDJZ-UHFFFAOYSA-N 1 2 423.929 4.255 50 0 HIAALO Cc1ccc(CSc2[nH+]ccc3c2ccn3CC(=O)NCc2cccnc2)cc1 ZINC000033172246 558900927 /nfs/dbraw/zinc/90/09/27/558900927.db2.gz ZIVHIUBCNFHKMZ-UHFFFAOYSA-N 1 2 402.523 4.348 50 0 HIAALO Cc1nc(-n2ccnc2)cc(Nc2ccc(NC(=O)Nc3ccccc3F)cc2)[nH+]1 ZINC000072140652 558929115 /nfs/dbraw/zinc/92/91/15/558929115.db2.gz AKYKWXWJHMURLR-UHFFFAOYSA-N 1 2 403.421 4.497 50 0 HIAALO Cc1ccc(Nc2nc(N3CCN(C(=O)Nc4cccc(C)c4)CC3)cc(C)[nH+]2)cc1 ZINC000064800296 558966030 /nfs/dbraw/zinc/96/60/30/558966030.db2.gz BLSWXYQEYYNRSZ-UHFFFAOYSA-N 1 2 416.529 4.500 50 0 HIAALO Cc1ccc(Nc2nc(N3CCN(C(=O)Nc4ccccc4)CC3)cc(C)[nH+]2)cc1 ZINC000065363191 558974083 /nfs/dbraw/zinc/97/40/83/558974083.db2.gz JXSPLQVIHFZHQJ-UHFFFAOYSA-N 1 2 402.502 4.191 50 0 HIAALO CCN1CC[NH+]([C@H](c2cccs2)[C@@H](C)NC(=S)Nc2ccccc2C)CC1 ZINC000022457028 558995239 /nfs/dbraw/zinc/99/52/39/558995239.db2.gz OKUVWHFEQQYYAB-XLIONFOSSA-N 1 2 402.633 4.110 50 0 HIAALO COc1cccc(CSc2nc3c(c(=O)[nH]2)C[N@H+](Cc2ccccc2OC)CC3)c1 ZINC000033287269 559043870 /nfs/dbraw/zinc/04/38/70/559043870.db2.gz IZEAKXJTXLIAIL-UHFFFAOYSA-N 1 2 423.538 4.050 50 0 HIAALO COc1cccc(CSc2nc3c(c(=O)[nH]2)C[N@@H+](Cc2ccccc2OC)CC3)c1 ZINC000033287269 559043871 /nfs/dbraw/zinc/04/38/71/559043871.db2.gz IZEAKXJTXLIAIL-UHFFFAOYSA-N 1 2 423.538 4.050 50 0 HIAALO O=C1C2=C(c3ccccc3)[NH2+]N(c3ccccc3)[C@@H]2C(=O)N1c1ccccc1Cl ZINC000100735061 559260765 /nfs/dbraw/zinc/26/07/65/559260765.db2.gz AMUMQYGPZWXRAT-CTNGQTDRSA-N 1 2 401.853 4.123 50 0 HIAALO Cc1sc(-c2ccc(OC(F)(F)F)cc2)nc1C(=O)NCCCn1cc[nH+]c1 ZINC000011865769 559263860 /nfs/dbraw/zinc/26/38/60/559263860.db2.gz CMVFMJAOFGAKJG-UHFFFAOYSA-N 1 2 410.421 4.034 50 0 HIAALO Cc1cccn2cc(-c3ccccc3NC(=O)CCn3cnc4ccccc4c3=O)[nH+]c12 ZINC000206901458 560749107 /nfs/dbraw/zinc/74/91/07/560749107.db2.gz OAILBNZDBJEKPG-UHFFFAOYSA-N 1 2 423.476 4.048 50 0 HIAALO CC[NH+]1CCN(C(=O)[C@H](C)Sc2nnc(-c3ccc(F)cc3)c3ccccc32)CC1 ZINC000048235372 568432847 /nfs/dbraw/zinc/43/28/47/568432847.db2.gz JNCSTHANDVYJID-INIZCTEOSA-N 1 2 424.545 4.081 50 0 HIAALO Cc1ccc(-c2noc(C3CC[NH+](CC(=O)Nc4cc(F)ccc4F)CC3)n2)cc1 ZINC000049403289 568448175 /nfs/dbraw/zinc/44/81/75/568448175.db2.gz CTABCGDSGRBKGC-UHFFFAOYSA-N 1 2 412.440 4.141 50 0 HIAALO O=C(C[NH+]1CCC(c2nc(-c3cccs3)no2)CC1)Nc1ccc(F)c(Cl)c1 ZINC000049403544 568448348 /nfs/dbraw/zinc/44/83/48/568448348.db2.gz OEWSCNBKPIICGO-UHFFFAOYSA-N 1 2 420.897 4.409 50 0 HIAALO COc1ccc(Cl)cc1NC(=O)[C@@H](C)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000022038098 568473291 /nfs/dbraw/zinc/47/32/91/568473291.db2.gz AVASCBHTYQRLBW-AHKGRUIUSA-N 1 2 413.949 4.007 50 0 HIAALO C[N@H+](CC(=O)Nc1ccccc1Br)[C@@]1(c2ccccc2)CCCCC1=O ZINC000225571317 568652411 /nfs/dbraw/zinc/65/24/11/568652411.db2.gz HZTNLWDYAOVAPM-OAQYLSRUSA-N 1 2 415.331 4.358 50 0 HIAALO C[N@@H+](CC(=O)Nc1ccccc1Br)[C@@]1(c2ccccc2)CCCCC1=O ZINC000225571317 568652414 /nfs/dbraw/zinc/65/24/14/568652414.db2.gz HZTNLWDYAOVAPM-OAQYLSRUSA-N 1 2 415.331 4.358 50 0 HIAALO CCCNC(=O)C1CCN(c2[nH+]c3ccccc3n2Cc2cc(C)ccc2C)CC1 ZINC000021159627 568674534 /nfs/dbraw/zinc/67/45/34/568674534.db2.gz JYAACZCLHLDCTF-UHFFFAOYSA-N 1 2 404.558 4.444 50 0 HIAALO Cc1ccc(-c2cc(C(=O)NC[C@H](c3ccc(F)cc3F)[NH+]3CCCC3)no2)cc1 ZINC000227155702 568699381 /nfs/dbraw/zinc/69/93/81/568699381.db2.gz CYMBOYKRWDRKCG-OAQYLSRUSA-N 1 2 411.452 4.495 50 0 HIAALO Cc1[nH+]c(C2CC2)nc(N2CCN(C(=O)CC(C)C)CC2)c1Cc1ccccc1F ZINC000096316881 568725923 /nfs/dbraw/zinc/72/59/23/568725923.db2.gz XFYCCWPZTAYBBP-UHFFFAOYSA-N 1 2 410.537 4.087 50 0 HIAALO Cc1ccc(Cc2c(C)[nH+]c(C3CC3)nc2N2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000096317172 568726285 /nfs/dbraw/zinc/72/62/85/568726285.db2.gz PQWHTAWTZCCJPA-UHFFFAOYSA-N 1 2 416.525 4.117 50 0 HIAALO Cc1ccc(C(=O)NC[C@H](c2ccco2)[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000056945672 568821724 /nfs/dbraw/zinc/82/17/24/568821724.db2.gz VCSJQQTVXDYQQN-JOCHJYFZSA-N 1 2 407.489 4.020 50 0 HIAALO Cc1ccc(C)c(COc2coc(C[NH+]3CCN(c4ccccc4)CC3)cc2=O)c1 ZINC000056949872 568821940 /nfs/dbraw/zinc/82/19/40/568821940.db2.gz XOMARROPJZGKDI-UHFFFAOYSA-N 1 2 404.510 4.158 50 0 HIAALO O=C(N1CC[NH+](Cc2ccncc2)CC1)C12C[C@@H]3C[C@H](C1)CC(c1ccccc1)(C3)C2 ZINC000057291128 568825868 /nfs/dbraw/zinc/82/58/68/568825868.db2.gz VTDZGAYXHFZWAT-DDBVPJQNSA-N 1 2 415.581 4.264 50 0 HIAALO CCOC(=O)c1cc(-c2ccccc2)sc1NC(=S)NCCCn1cc[nH+]c1 ZINC000005919819 568829701 /nfs/dbraw/zinc/82/97/01/568829701.db2.gz OACBXMPQRKLDGI-UHFFFAOYSA-N 1 2 414.556 4.165 50 0 HIAALO CN([C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)s1 ZINC000012547541 568851397 /nfs/dbraw/zinc/85/13/97/568851397.db2.gz VOJBVNGBLFKJSH-OAHLLOKOSA-N 1 2 416.355 4.199 50 0 HIAALO C[C@@H](Oc1ccc(Br)cc1)C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000012551032 568853129 /nfs/dbraw/zinc/85/31/29/568853129.db2.gz KBVLJKLAYQKDEG-LSDHHAIUSA-N 1 2 414.303 4.280 50 0 HIAALO CCOC(=O)c1c(C)c2ccccc2nc1C[N@H+](C)Cc1ccc(OC)c(OC)c1 ZINC000057688588 568858412 /nfs/dbraw/zinc/85/84/12/568858412.db2.gz QBWANNNDXVKHQR-UHFFFAOYSA-N 1 2 408.498 4.369 50 0 HIAALO CCOC(=O)c1c(C)c2ccccc2nc1C[N@@H+](C)Cc1ccc(OC)c(OC)c1 ZINC000057688588 568858413 /nfs/dbraw/zinc/85/84/13/568858413.db2.gz QBWANNNDXVKHQR-UHFFFAOYSA-N 1 2 408.498 4.369 50 0 HIAALO COc1ccc([C@H](NC(=O)CCCc2nc3ccccc3s2)c2[nH+]ccn2C)cc1 ZINC000012575415 568862415 /nfs/dbraw/zinc/86/24/15/568862415.db2.gz MZPZJXUYUDGMSD-QFIPXVFZSA-N 1 2 420.538 4.267 50 0 HIAALO COc1ccccc1NC(=O)c1ccc(NC(=O)C[N@H+](C)Cc2ccccc2F)cc1 ZINC000003351512 568885827 /nfs/dbraw/zinc/88/58/27/568885827.db2.gz YGIGVXKJAWANKY-UHFFFAOYSA-N 1 2 421.472 4.157 50 0 HIAALO COc1ccccc1NC(=O)c1ccc(NC(=O)C[N@@H+](C)Cc2ccccc2F)cc1 ZINC000003351512 568885828 /nfs/dbraw/zinc/88/58/28/568885828.db2.gz YGIGVXKJAWANKY-UHFFFAOYSA-N 1 2 421.472 4.157 50 0 HIAALO O=C(CSc1[nH+]cnc2c1cnn2-c1ccccc1)N[C@H]1CCCc2ccccc21 ZINC000003519401 568911948 /nfs/dbraw/zinc/91/19/48/568911948.db2.gz HYQJPUHWZQUVKY-FQEVSTJZSA-N 1 2 415.522 4.101 50 0 HIAALO CC[C@@H](c1nnc(SCc2ccc(C(=O)OC)o2)n1Cc1ccccc1)[NH+](C)C ZINC000003551405 568915008 /nfs/dbraw/zinc/91/50/08/568915008.db2.gz XJXQIXGGZJYNRX-KRWDZBQOSA-N 1 2 414.531 4.011 50 0 HIAALO COc1cc(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)ccc1OC(C)C ZINC000012773734 568952989 /nfs/dbraw/zinc/95/29/89/568952989.db2.gz GORSELWOIVAANL-HNNXBMFYSA-N 1 2 403.548 4.423 50 0 HIAALO COc1cc(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)ccc1OC(C)C ZINC000012773734 568952990 /nfs/dbraw/zinc/95/29/90/568952990.db2.gz GORSELWOIVAANL-HNNXBMFYSA-N 1 2 403.548 4.423 50 0 HIAALO CN(C)C(=O)c1ccc(NC(=O)C[N@@H+]2CCc3sccc3[C@H]2c2ccccc2)cc1 ZINC000012777870 568955878 /nfs/dbraw/zinc/95/58/78/568955878.db2.gz IPLFPQGXQYPPRZ-HSZRJFAPSA-N 1 2 419.550 4.036 50 0 HIAALO CN(C)C(=O)c1ccc(NC(=O)C[N@H+]2CCc3sccc3[C@H]2c2ccccc2)cc1 ZINC000012777870 568955879 /nfs/dbraw/zinc/95/58/79/568955879.db2.gz IPLFPQGXQYPPRZ-HSZRJFAPSA-N 1 2 419.550 4.036 50 0 HIAALO C[C@H](NC(=O)Cc1c(Cl)cccc1Cl)[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000012782458 568958572 /nfs/dbraw/zinc/95/85/72/568958572.db2.gz FQNIEDVZWORNEG-YCRPNKLZSA-N 1 2 407.341 4.114 50 0 HIAALO Cc1cc(C)c(S(=O)(=O)N(C)[C@H](c2[nH+]ccn2C)c2ccc(Cl)cc2)c(C)c1 ZINC000012783886 568958766 /nfs/dbraw/zinc/95/87/66/568958766.db2.gz DGVSSYICKIBWDU-IBGZPJMESA-N 1 2 417.962 4.409 50 0 HIAALO C[C@@H](Sc1[nH+]cnc2c1cnn2-c1ccccc1)C(=O)Nc1ccc2c(c1)CCC2 ZINC000008156280 568977880 /nfs/dbraw/zinc/97/78/80/568977880.db2.gz MQBPSKHIJGASLV-OAHLLOKOSA-N 1 2 415.522 4.424 50 0 HIAALO COc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1Cl ZINC000008310327 568988405 /nfs/dbraw/zinc/98/84/05/568988405.db2.gz NZLGTDAEURKMAO-SFHVURJKSA-N 1 2 416.905 4.286 50 0 HIAALO COc1ccc(NC(=O)C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1Cl ZINC000008310327 568988406 /nfs/dbraw/zinc/98/84/06/568988406.db2.gz NZLGTDAEURKMAO-SFHVURJKSA-N 1 2 416.905 4.286 50 0 HIAALO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)COc3ccc(Br)cc3)n2)C1 ZINC000012814885 568989354 /nfs/dbraw/zinc/98/93/54/568989354.db2.gz YWFGSPXXYILYCJ-CYBMUJFWSA-N 1 2 424.364 4.155 50 0 HIAALO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)COc3ccc(Br)cc3)n2)C1 ZINC000012814885 568989355 /nfs/dbraw/zinc/98/93/55/568989355.db2.gz YWFGSPXXYILYCJ-CYBMUJFWSA-N 1 2 424.364 4.155 50 0 HIAALO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NCCOc3ccc(Cl)cc3)c2C1 ZINC000012882293 569018967 /nfs/dbraw/zinc/01/89/67/569018967.db2.gz FSWNAUVYSTXICD-UHFFFAOYSA-N 1 2 409.917 4.075 50 0 HIAALO CC[N@H+]1CCc2nc3ccccc3c(C(=O)NCCOc3ccc(Cl)cc3)c2C1 ZINC000012882293 569018968 /nfs/dbraw/zinc/01/89/68/569018968.db2.gz FSWNAUVYSTXICD-UHFFFAOYSA-N 1 2 409.917 4.075 50 0 HIAALO O=C(NC[C@H](c1cccs1)[NH+]1CCOCC1)c1cccc2c3c([nH]c21)CCCCC3 ZINC000012933827 569025733 /nfs/dbraw/zinc/02/57/33/569025733.db2.gz FJHHEQNAVIWRKG-OAQYLSRUSA-N 1 2 423.582 4.302 50 0 HIAALO CCNC(=O)c1cccc(NC(=O)C[N@@H+]2CCc3sccc3[C@H]2c2ccccc2)c1 ZINC000012936893 569027384 /nfs/dbraw/zinc/02/73/84/569027384.db2.gz CIXWPWULABGVOP-HSZRJFAPSA-N 1 2 419.550 4.084 50 0 HIAALO CCNC(=O)c1cccc(NC(=O)C[N@H+]2CCc3sccc3[C@H]2c2ccccc2)c1 ZINC000012936893 569027385 /nfs/dbraw/zinc/02/73/85/569027385.db2.gz CIXWPWULABGVOP-HSZRJFAPSA-N 1 2 419.550 4.084 50 0 HIAALO Cc1ccc(-n2cc(C3=CC[N@H+](CC(=O)NCc4ccc(Cl)cc4)CC3)cn2)cc1 ZINC000035403892 569035595 /nfs/dbraw/zinc/03/55/95/569035595.db2.gz PDRIACGKXBDFRG-UHFFFAOYSA-N 1 2 420.944 4.240 50 0 HIAALO Cc1ccc(-n2cc(C3=CC[N@@H+](CC(=O)NCc4ccc(Cl)cc4)CC3)cn2)cc1 ZINC000035403892 569035596 /nfs/dbraw/zinc/03/55/96/569035596.db2.gz PDRIACGKXBDFRG-UHFFFAOYSA-N 1 2 420.944 4.240 50 0 HIAALO Cc1ccc(-n2cc(C3=CC[N@H+](CC(=O)NCc4ccc(F)cc4)CC3)cn2)cc1C ZINC000035403541 569035640 /nfs/dbraw/zinc/03/56/40/569035640.db2.gz HPKWMLDYSUDIMU-UHFFFAOYSA-N 1 2 418.516 4.034 50 0 HIAALO Cc1ccc(-n2cc(C3=CC[N@@H+](CC(=O)NCc4ccc(F)cc4)CC3)cn2)cc1C ZINC000035403541 569035641 /nfs/dbraw/zinc/03/56/41/569035641.db2.gz HPKWMLDYSUDIMU-UHFFFAOYSA-N 1 2 418.516 4.034 50 0 HIAALO C[N@@H+]1C[C@H](c2ccc(Cl)cc2)[C@H](C(=O)c2ccco2)[C@]12C(=O)Nc1ccccc12 ZINC000035485640 569039813 /nfs/dbraw/zinc/03/98/13/569039813.db2.gz GHMGJMTZSQKKKW-AYPBNUJASA-N 1 2 406.869 4.309 50 0 HIAALO C[N@H+]1C[C@H](c2ccc(Cl)cc2)[C@H](C(=O)c2ccco2)[C@]12C(=O)Nc1ccccc12 ZINC000035485640 569039814 /nfs/dbraw/zinc/03/98/14/569039814.db2.gz GHMGJMTZSQKKKW-AYPBNUJASA-N 1 2 406.869 4.309 50 0 HIAALO O=C(NCc1ccccc1C[NH+]1CCOCC1)C1c2ccccc2Oc2ccccc21 ZINC000013000655 569049427 /nfs/dbraw/zinc/04/94/27/569049427.db2.gz MVQHWPSMFRTSFA-UHFFFAOYSA-N 1 2 414.505 4.073 50 0 HIAALO CCc1[nH+]c(C)nc(N2CCN(C(=O)c3cccs3)CC2)c1Cc1ccc(C)cc1 ZINC000035769218 569058004 /nfs/dbraw/zinc/05/80/04/569058004.db2.gz IHPXRLZBYZRJBG-UHFFFAOYSA-N 1 2 420.582 4.271 50 0 HIAALO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)c(C)n1Cc1ccco1 ZINC000089577977 569070411 /nfs/dbraw/zinc/07/04/11/569070411.db2.gz KTBDRTODRCYGDO-FGZHOGPDSA-N 1 2 413.468 4.200 50 0 HIAALO Cc1cc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)c(C)n1Cc1ccco1 ZINC000089577977 569070412 /nfs/dbraw/zinc/07/04/12/569070412.db2.gz KTBDRTODRCYGDO-FGZHOGPDSA-N 1 2 413.468 4.200 50 0 HIAALO Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)N(C)[C@H](C)c3cccnc3)csc2C1 ZINC000426545136 569073338 /nfs/dbraw/zinc/07/33/38/569073338.db2.gz UWALRLTXLQHVLR-OAHLLOKOSA-N 1 2 410.543 4.139 50 0 HIAALO Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)N(C)[C@H](C)c3cccnc3)csc2C1 ZINC000426545136 569073339 /nfs/dbraw/zinc/07/33/39/569073339.db2.gz UWALRLTXLQHVLR-OAHLLOKOSA-N 1 2 410.543 4.139 50 0 HIAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)NCCc4ccc(C)o4)csc3C2)nc1 ZINC000426550986 569073352 /nfs/dbraw/zinc/07/33/52/569073352.db2.gz COUIJPWVSLGGHJ-UHFFFAOYSA-N 1 2 409.555 4.138 50 0 HIAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)NCCc4ccc(C)o4)csc3C2)nc1 ZINC000426550986 569073353 /nfs/dbraw/zinc/07/33/53/569073353.db2.gz COUIJPWVSLGGHJ-UHFFFAOYSA-N 1 2 409.555 4.138 50 0 HIAALO Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)N[C@@H](C)c3ncccc3C)csc2C1 ZINC000426746075 569074087 /nfs/dbraw/zinc/07/40/87/569074087.db2.gz KHKZTQAMXWUIDS-HNNXBMFYSA-N 1 2 410.543 4.106 50 0 HIAALO Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)N[C@@H](C)c3ncccc3C)csc2C1 ZINC000426746075 569074088 /nfs/dbraw/zinc/07/40/88/569074088.db2.gz KHKZTQAMXWUIDS-HNNXBMFYSA-N 1 2 410.543 4.106 50 0 HIAALO CCOc1ccc([C@H](C2Sc3nc(C)nn3C2=O)[N@@H+]2CCC[C@H](C)C2)cc1OC ZINC000036066079 569085710 /nfs/dbraw/zinc/08/57/10/569085710.db2.gz ZWBQGHGHGQBBGJ-SCLBCKFNSA-N 1 2 416.547 4.033 50 0 HIAALO CCOc1ccc([C@H](C2Sc3nc(C)nn3C2=O)[N@H+]2CCC[C@H](C)C2)cc1OC ZINC000036066079 569085711 /nfs/dbraw/zinc/08/57/11/569085711.db2.gz ZWBQGHGHGQBBGJ-SCLBCKFNSA-N 1 2 416.547 4.033 50 0 HIAALO COCCNC(=O)c1coc(C[N@H+](Cc2ccccc2)Cc2ccc(C(C)C)cc2)n1 ZINC000036073694 569086735 /nfs/dbraw/zinc/08/67/35/569086735.db2.gz FGYNABADPHWEHW-UHFFFAOYSA-N 1 2 421.541 4.377 50 0 HIAALO COCCNC(=O)c1coc(C[N@@H+](Cc2ccccc2)Cc2ccc(C(C)C)cc2)n1 ZINC000036073694 569086736 /nfs/dbraw/zinc/08/67/36/569086736.db2.gz FGYNABADPHWEHW-UHFFFAOYSA-N 1 2 421.541 4.377 50 0 HIAALO O=C(c1cccc(F)c1)N(Cc1[nH+]ccn1Cc1ccc(F)cc1)C[C@@H]1CCCO1 ZINC000006689417 569089379 /nfs/dbraw/zinc/08/93/79/569089379.db2.gz IGBCWJNLUKSNIQ-NRFANRHFSA-N 1 2 411.452 4.031 50 0 HIAALO Cc1ccc(Nc2nc(N3CCN(C(=O)c4ccccc4C)CC3)cc(C)[nH+]2)cc1 ZINC000064799918 569097289 /nfs/dbraw/zinc/09/72/89/569097289.db2.gz YJGICBITCOBFST-UHFFFAOYSA-N 1 2 401.514 4.108 50 0 HIAALO CCc1ccc(C(=O)N2CCN(c3cc(C)[nH+]c(Nc4ccc(C)cc4)n3)CC2)cc1 ZINC000064800001 569097489 /nfs/dbraw/zinc/09/74/89/569097489.db2.gz PQILWTLPBXLGFC-UHFFFAOYSA-N 1 2 415.541 4.362 50 0 HIAALO CC[NH+](CC)c1ccc(NS(=O)(=O)c2ccc(-c3ccno3)cc2OC)c(C)c1 ZINC000064979595 569140958 /nfs/dbraw/zinc/14/09/58/569140958.db2.gz SZWDBFANOCQLFK-UHFFFAOYSA-N 1 2 415.515 4.306 50 0 HIAALO COc1ccc(-c2[nH+]c(C)cc(C)c2CNS(=O)(=O)c2ccc(C(C)=O)cc2)cc1 ZINC000065171479 569188778 /nfs/dbraw/zinc/18/87/78/569188778.db2.gz XIBRCCDGBCVXEW-UHFFFAOYSA-N 1 2 424.522 4.055 50 0 HIAALO O=C(C[NH+]1CCC(c2nc3ccccc3s2)CC1)Nc1ccnn1C1CCCC1 ZINC000006978563 569192592 /nfs/dbraw/zinc/19/25/92/569192592.db2.gz VECIDFZMWWHPHB-UHFFFAOYSA-N 1 2 409.559 4.426 50 0 HIAALO CCCNc1cc(N2CCC[C@H](CCC(=O)NCc3ccc(Cl)cc3)C2)nc[nH+]1 ZINC000065242444 569204725 /nfs/dbraw/zinc/20/47/25/569204725.db2.gz BNGKSMMWHSJKFM-GOSISDBHSA-N 1 2 415.969 4.265 50 0 HIAALO CCCNc1cc(N2CCC[C@H](CCC(=O)NCc3ccc(Cl)cc3)C2)[nH+]cn1 ZINC000065242444 569204727 /nfs/dbraw/zinc/20/47/27/569204727.db2.gz BNGKSMMWHSJKFM-GOSISDBHSA-N 1 2 415.969 4.265 50 0 HIAALO CCCNc1cc(N2CCC(CCC(=O)Nc3ccc(OCC)cc3)CC2)nc[nH+]1 ZINC000065274197 569214874 /nfs/dbraw/zinc/21/48/74/569214874.db2.gz GACBBZJBKQWDSD-UHFFFAOYSA-N 1 2 411.550 4.333 50 0 HIAALO CCCNc1cc(N2CCC(CCC(=O)Nc3ccc(OCC)cc3)CC2)[nH+]cn1 ZINC000065274197 569214876 /nfs/dbraw/zinc/21/48/76/569214876.db2.gz GACBBZJBKQWDSD-UHFFFAOYSA-N 1 2 411.550 4.333 50 0 HIAALO COc1ccccc1N1CC[C@@H](C)[N@H+](CC(=O)Nc2cc(Cl)ccc2F)CC1 ZINC000170597282 569242071 /nfs/dbraw/zinc/24/20/71/569242071.db2.gz VEORNODNNTVNGV-OAHLLOKOSA-N 1 2 405.901 4.027 50 0 HIAALO COc1ccccc1N1CC[C@@H](C)[N@@H+](CC(=O)Nc2cc(Cl)ccc2F)CC1 ZINC000170597282 569242072 /nfs/dbraw/zinc/24/20/72/569242072.db2.gz VEORNODNNTVNGV-OAHLLOKOSA-N 1 2 405.901 4.027 50 0 HIAALO COc1ccccc1C(=O)Nc1ccc(Nc2nc(N3CCCC3)cc(C)[nH+]2)cc1 ZINC000017013585 569271717 /nfs/dbraw/zinc/27/17/17/569271717.db2.gz UHSUVVWYGOICOF-UHFFFAOYSA-N 1 2 403.486 4.390 50 0 HIAALO O=C(CCCn1cccc1)N1CC[NH+](C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000524735646 569291751 /nfs/dbraw/zinc/29/17/51/569291751.db2.gz PQFGUGRRTUBNCA-UHFFFAOYSA-N 1 2 423.507 4.480 50 0 HIAALO C[C@@H](c1nc2ccccc2s1)[N@H+](C)CC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000007691591 569300993 /nfs/dbraw/zinc/30/09/93/569300993.db2.gz WXPYPOCMJAGOLR-HNNXBMFYSA-N 1 2 408.527 4.055 50 0 HIAALO C[C@@H](c1nc2ccccc2s1)[N@@H+](C)CC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000007691591 569300994 /nfs/dbraw/zinc/30/09/94/569300994.db2.gz WXPYPOCMJAGOLR-HNNXBMFYSA-N 1 2 408.527 4.055 50 0 HIAALO Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)[N@H+](C)Cc1ccc(Cl)cc1Cl ZINC000007917692 569321808 /nfs/dbraw/zinc/32/18/08/569321808.db2.gz ZEEBUHLDQVNGNF-OAHLLOKOSA-N 1 2 422.356 4.185 50 0 HIAALO Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(Cl)cc1Cl ZINC000007917692 569321809 /nfs/dbraw/zinc/32/18/09/569321809.db2.gz ZEEBUHLDQVNGNF-OAHLLOKOSA-N 1 2 422.356 4.185 50 0 HIAALO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000040068860 571149150 /nfs/dbraw/zinc/14/91/50/571149150.db2.gz YOVCJVZPZUIJFN-QGZVFWFLSA-N 1 2 401.938 4.075 50 0 HIAALO C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+]1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000245224777 571217473 /nfs/dbraw/zinc/21/74/73/571217473.db2.gz DJXINEIVIGYZNA-NQIIRXRSSA-N 1 2 404.514 4.483 50 0 HIAALO C[C@H](c1ccccc1)N(C)C(=O)C[N@H+]1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000245224777 571217477 /nfs/dbraw/zinc/21/74/77/571217477.db2.gz DJXINEIVIGYZNA-NQIIRXRSSA-N 1 2 404.514 4.483 50 0 HIAALO C[C@H](c1nnc(SCC(=O)c2c[nH]c3ccccc23)n1-c1ccc(F)cc1)[NH+](C)C ZINC000009466015 571261019 /nfs/dbraw/zinc/26/10/19/571261019.db2.gz ADDGHNRUFGJRQF-CQSZACIVSA-N 1 2 423.517 4.485 50 0 HIAALO Cn1cc[nH+]c1[C@H](NC(=O)COc1ccccc1Cc1ccccc1)c1ccccc1 ZINC000009515828 571264842 /nfs/dbraw/zinc/26/48/42/571264842.db2.gz SBYUTDFODDFGNX-RUZDIDTESA-N 1 2 411.505 4.296 50 0 HIAALO CCNc1cc(C)[nH+]c(Nc2ccc(NS(=O)(=O)c3ccccc3Cl)cc2)n1 ZINC000009572461 571269062 /nfs/dbraw/zinc/26/90/62/571269062.db2.gz KDLVOVUETLGTKP-UHFFFAOYSA-N 1 2 417.922 4.415 50 0 HIAALO C[C@@H](NC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000009672284 571278768 /nfs/dbraw/zinc/27/87/68/571278768.db2.gz DRPQAEPIJWQEDD-LJQANCHMSA-N 1 2 424.504 4.147 50 0 HIAALO CC(=O)c1ccccc1OCCSc1nnc(C[NH+]2CCCC2)n1-c1ccccc1 ZINC000009874349 571289240 /nfs/dbraw/zinc/28/92/40/571289240.db2.gz AHLWSQWAGNVKDB-UHFFFAOYSA-N 1 2 422.554 4.237 50 0 HIAALO COc1ccc(CSc2[nH+]ccc3c2ccn3CC(=O)NCc2cccnc2)cc1 ZINC000033298631 571316063 /nfs/dbraw/zinc/31/60/63/571316063.db2.gz OQPPWSOFXSCGRB-UHFFFAOYSA-N 1 2 418.522 4.049 50 0 HIAALO COc1ccc(C[N@@H+]2CCOc3ccc([C@@H](O)Cc4ccccc4)cc3C2)c(OC)c1 ZINC000012208649 845859587 /nfs/dbraw/zinc/85/95/87/845859587.db2.gz MISXDSSWAUPODP-DEOSSOPVSA-N 1 2 419.521 4.375 50 0 HIAALO COc1ccc(C[N@H+]2CCOc3ccc([C@@H](O)Cc4ccccc4)cc3C2)c(OC)c1 ZINC000012208649 845859592 /nfs/dbraw/zinc/85/95/92/845859592.db2.gz MISXDSSWAUPODP-DEOSSOPVSA-N 1 2 419.521 4.375 50 0 HIAALO O[C@@H](Cc1ccccc1)c1ccc2c(c1)C[N@@H+](Cc1ccc3c(c1)OCCO3)CCO2 ZINC000014883605 845989766 /nfs/dbraw/zinc/98/97/66/845989766.db2.gz UQMWROIATRRCOJ-QHCPKHFHSA-N 1 2 417.505 4.129 50 0 HIAALO O[C@@H](Cc1ccccc1)c1ccc2c(c1)C[N@H+](Cc1ccc3c(c1)OCCO3)CCO2 ZINC000014883605 845989771 /nfs/dbraw/zinc/98/97/71/845989771.db2.gz UQMWROIATRRCOJ-QHCPKHFHSA-N 1 2 417.505 4.129 50 0 HIAALO O[C@H](COc1cc(Cl)ccc1Cl)CN1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000096635249 852554242 /nfs/dbraw/zinc/55/42/42/852554242.db2.gz PEVKUPBDMBMFKA-FDIFFNORSA-N 1 2 421.368 4.064 50 0 HIAALO O=C(c1ccc(Cn2cc[nH+]c2)o1)N1CCCCC[C@H]1c1nnc(-c2ccccc2)o1 ZINC000257179360 854233082 /nfs/dbraw/zinc/23/30/82/854233082.db2.gz COSGAWGBUNLRHY-IBGZPJMESA-N 1 2 417.469 4.332 50 0 HIAALO O=c1c(Cl)c(N2CCC[C@H](c3[nH]c4ccccc4[nH+]3)C2)cnn1-c1ccccc1 ZINC000009367016 132233951 /nfs/dbraw/zinc/23/39/51/132233951.db2.gz GYRMBQDCFBGCCT-HNNXBMFYSA-N 1 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ZINC000044074301 522790838 /nfs/dbraw/zinc/79/08/38/522790838.db2.gz VTCKONLDGJKUMR-CQSZACIVSA-N 1 2 401.507 4.243 50 0 HIAALO CCCCCCC(=O)N1CCN(c2nc(C)[nH+]c(C)c2Cc2ccccc2F)CC1 ZINC000006734174 534978259 /nfs/dbraw/zinc/97/82/59/534978259.db2.gz ZJVKJJSXCFHWHS-UHFFFAOYSA-N 1 2 412.553 4.442 50 0 HIAALO CCCC(=O)N1CC[NH+](C[C@@H](OCc2ccc(C)cc2)c2cccc(OC)c2)CC1 ZINC000022625492 557075353 /nfs/dbraw/zinc/07/53/53/557075353.db2.gz FAQKCYNRGYTWNS-XMMPIXPASA-N 1 2 410.558 4.206 50 0 HIAALO Cc1nc2n(n1)C(=O)C([C@@H](c1cccc(C)c1)[NH+]1CCN(c3ccccc3)CC1)S2 ZINC000022626873 557107956 /nfs/dbraw/zinc/10/79/56/557107956.db2.gz LNMVDRXATFWHLD-HXUWFJFHSA-N 1 2 419.554 4.025 50 0 HIAALO CCOC(=O)c1c[nH+]c2ccc(OCC)cc2c1NCCc1ccc(OC)c(OC)c1 ZINC000000953686 557125548 /nfs/dbraw/zinc/12/55/48/557125548.db2.gz CBZRNMVWHPGONH-UHFFFAOYSA-N 1 2 424.497 4.482 50 0 HIAALO CC(C)c1noc(C[NH+]2CCC([C@@H]3CCCCCN3C(=O)c3ccccc3)CC2)n1 ZINC000071889286 557293472 /nfs/dbraw/zinc/29/34/72/557293472.db2.gz ZPQRDRVZPMHNMH-NRFANRHFSA-N 1 2 410.562 4.490 50 0 HIAALO COc1cc2c(cc1OC)[C@H](CNC(=O)c1ccco1)[N@H+](Cc1ccccc1C)CC2 ZINC000034855708 557477181 /nfs/dbraw/zinc/47/71/81/557477181.db2.gz PQVRGBVVNOVKHI-NRFANRHFSA-N 1 2 420.509 4.135 50 0 HIAALO COc1cc2c(cc1OC)[C@H](CNC(=O)c1ccco1)[N@@H+](Cc1ccccc1C)CC2 ZINC000034855708 557477187 /nfs/dbraw/zinc/47/71/87/557477187.db2.gz PQVRGBVVNOVKHI-NRFANRHFSA-N 1 2 420.509 4.135 50 0 HIAALO COc1ccc(Cc2noc(C[N@H+](C)CCn3c(C)cc4ccccc43)n2)cc1OC ZINC000019740406 558261316 /nfs/dbraw/zinc/26/13/16/558261316.db2.gz QTSKJPOUIGECES-UHFFFAOYSA-N 1 2 420.513 4.073 50 0 HIAALO COc1ccc(Cc2noc(C[N@@H+](C)CCn3c(C)cc4ccccc43)n2)cc1OC ZINC000019740406 558261317 /nfs/dbraw/zinc/26/13/17/558261317.db2.gz QTSKJPOUIGECES-UHFFFAOYSA-N 1 2 420.513 4.073 50 0 HIAALO O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)C1CC[NH+](Cc2ccon2)CC1 ZINC000011819587 558282648 /nfs/dbraw/zinc/28/26/48/558282648.db2.gz SHJCUFOCIOJDBF-UHFFFAOYSA-N 1 2 401.470 4.069 50 0 HIAALO CCn1cc(C[N@@H+]2CCC[C@@H]2C(=O)Nc2ccccc2Oc2cccnc2)c(C)n1 ZINC000011820672 558283910 /nfs/dbraw/zinc/28/39/10/558283910.db2.gz MDCZGWRRFPZSNR-OAQYLSRUSA-N 1 2 405.502 4.002 50 0 HIAALO CCn1cc(C[N@H+]2CCC[C@@H]2C(=O)Nc2ccccc2Oc2cccnc2)c(C)n1 ZINC000011820672 558283912 /nfs/dbraw/zinc/28/39/12/558283912.db2.gz MDCZGWRRFPZSNR-OAQYLSRUSA-N 1 2 405.502 4.002 50 0 HIAALO Cc1ccc2c(c1)c1c(n2C[C@H](O)CN2CC[NH+](Cc3ccccc3)CC2)CCCC1 ZINC000020059512 558329198 /nfs/dbraw/zinc/32/91/98/558329198.db2.gz JIWLKQFUADLPCW-HSZRJFAPSA-N 1 2 417.597 4.007 50 0 HIAALO C[C@@H](CNC(=O)C1CCCCC1)Oc1cccc(C[N@H+](C)Cc2cscn2)c1 ZINC000012150606 558339106 /nfs/dbraw/zinc/33/91/06/558339106.db2.gz DYEOCRKUNRDJKH-KRWDZBQOSA-N 1 2 401.576 4.239 50 0 HIAALO C[C@@H](CNC(=O)C1CCCCC1)Oc1cccc(C[N@@H+](C)Cc2cscn2)c1 ZINC000012150606 558339109 /nfs/dbraw/zinc/33/91/09/558339109.db2.gz DYEOCRKUNRDJKH-KRWDZBQOSA-N 1 2 401.576 4.239 50 0 HIAALO C[N@@H+]1CCc2c(sc3nc(SCc4ccc(Br)cc4)nc(N)c23)C1 ZINC000020292938 558354172 /nfs/dbraw/zinc/35/41/72/558354172.db2.gz FQFCGMHTRQKESR-UHFFFAOYSA-N 1 2 421.389 4.316 50 0 HIAALO C[N@H+]1CCc2c(sc3nc(SCc4ccc(Br)cc4)nc(N)c23)C1 ZINC000020292938 558354173 /nfs/dbraw/zinc/35/41/73/558354173.db2.gz FQFCGMHTRQKESR-UHFFFAOYSA-N 1 2 421.389 4.316 50 0 HIAALO O=C(NCc1ccco1)N1CC[NH+](C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000020503161 558380976 /nfs/dbraw/zinc/38/09/76/558380976.db2.gz RKISVCDYRGQRLF-UHFFFAOYSA-N 1 2 411.452 4.175 50 0 HIAALO O=C(/C=C\c1ccc(OC(F)F)cc1)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000020608509 558389037 /nfs/dbraw/zinc/38/90/37/558389037.db2.gz QGWNUKWNMZMHNX-YHYXMXQVSA-N 1 2 406.860 4.299 50 0 HIAALO O=C(CCc1ccc(-c2ccccc2F)o1)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000012802494 558472185 /nfs/dbraw/zinc/47/21/85/558472185.db2.gz DUZDDEVUGJSSGO-HSZRJFAPSA-N 1 2 422.500 4.208 50 0 HIAALO C[C@@H](c1nc2ccccc2s1)[NH+]1CCN(CC(=O)Nc2ccccc2Cl)CC1 ZINC000022804521 558513779 /nfs/dbraw/zinc/51/37/79/558513779.db2.gz XVBKJKYHRRTPMM-HNNXBMFYSA-N 1 2 414.962 4.267 50 0 HIAALO CC[NH+]1CCN(C(=O)[C@@H](C)Sc2nc(-c3cccs3)nc3ccccc32)CC1 ZINC000023329778 558549563 /nfs/dbraw/zinc/54/95/63/558549563.db2.gz FDALJQXTMQLLNA-OAHLLOKOSA-N 1 2 412.584 4.003 50 0 HIAALO O=C1NC2(CCCCCC2)C(=O)N1C[N@@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000023855576 558577860 /nfs/dbraw/zinc/57/78/60/558577860.db2.gz MJGIALGYKSTKDT-GOSISDBHSA-N 1 2 415.584 4.359 50 0 HIAALO O=C1NC2(CCCCCC2)C(=O)N1C[N@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000023855576 558577863 /nfs/dbraw/zinc/57/78/63/558577863.db2.gz MJGIALGYKSTKDT-GOSISDBHSA-N 1 2 415.584 4.359 50 0 HIAALO COc1ccc(OCCSc2nnc([C@H](C)[NH+](C)C)n2-c2ccc(F)cc2)cc1 ZINC000004500388 558612737 /nfs/dbraw/zinc/61/27/37/558612737.db2.gz RQOWBQLFWYHAKW-HNNXBMFYSA-N 1 2 416.522 4.209 50 0 HIAALO COc1cc(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)cc(Cl)c1OC ZINC000024979111 558623994 /nfs/dbraw/zinc/62/39/94/558623994.db2.gz PZNJTWLVFACKQS-LBPRGKRZSA-N 1 2 409.939 4.298 50 0 HIAALO COc1cc(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)cc(Cl)c1OC ZINC000024979111 558623996 /nfs/dbraw/zinc/62/39/96/558623996.db2.gz PZNJTWLVFACKQS-LBPRGKRZSA-N 1 2 409.939 4.298 50 0 HIAALO O=C(CC(c1ccccc1)c1ccccc1)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000027673705 558680102 /nfs/dbraw/zinc/68/01/02/558680102.db2.gz IPVRHYYQOTWNHT-VWLOTQADSA-N 1 2 414.549 4.226 50 0 HIAALO O=C(CC(c1ccccc1)c1ccccc1)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000027673705 558680105 /nfs/dbraw/zinc/68/01/05/558680105.db2.gz IPVRHYYQOTWNHT-VWLOTQADSA-N 1 2 414.549 4.226 50 0 HIAALO CC(C)Oc1ccc(C(=O)NC[C@@H](c2ccc(C(C)C)cc2)[NH+]2CCOCC2)cc1 ZINC000028290448 558696689 /nfs/dbraw/zinc/69/66/89/558696689.db2.gz QGDPKEUIHZQBBB-DEOSSOPVSA-N 1 2 410.558 4.401 50 0 HIAALO COC(=O)c1c(C)[nH]c(C(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2)c1C ZINC000015033718 558703606 /nfs/dbraw/zinc/70/36/06/558703606.db2.gz UZBBIJIKCLUTLL-QFIPXVFZSA-N 1 2 408.523 4.310 50 0 HIAALO COC(=O)c1c(C)[nH]c(C(=O)C[N@H+]2CCc3sccc3[C@@H]2c2ccccc2)c1C ZINC000015033718 558703611 /nfs/dbraw/zinc/70/36/11/558703611.db2.gz UZBBIJIKCLUTLL-QFIPXVFZSA-N 1 2 408.523 4.310 50 0 HIAALO Cn1cc[nH+]c1[C@@H](NC(=O)NCCc1cccc(Cl)c1)c1ccc(Cl)cc1 ZINC000029338268 558713984 /nfs/dbraw/zinc/71/39/84/558713984.db2.gz LBWZIVYDYRRHLV-SFHVURJKSA-N 1 2 403.313 4.358 50 0 HIAALO O=C(c1ccccc1-c1[nH]cc[nH+]1)N1CCC[C@](CO)(CCCc2ccccc2)C1 ZINC000015075234 558715760 /nfs/dbraw/zinc/71/57/60/558715760.db2.gz RINYEVPISSAWPC-RUZDIDTESA-N 1 2 403.526 4.314 50 0 HIAALO O=C(NCc1ccccc1)c1cccc(OC2CC[NH+](Cc3nccs3)CC2)c1 ZINC000015076627 558716654 /nfs/dbraw/zinc/71/66/54/558716654.db2.gz XJTLQLLSSTXFSC-UHFFFAOYSA-N 1 2 407.539 4.117 50 0 HIAALO Cc1c(C[NH2+]CC[N@@H+](C)Cc2ccccc2)c(C(=O)[O-])c(C)n1Cc1cccc(C)c1 ZINC000022937787 558726165 /nfs/dbraw/zinc/72/61/65/558726165.db2.gz NMXJOILYEAYRCZ-UHFFFAOYSA-N 1 2 419.569 4.381 50 0 HIAALO Cc1c(C[NH2+]CC[N@H+](C)Cc2ccccc2)c(C(=O)[O-])c(C)n1Cc1cccc(C)c1 ZINC000022937787 558726168 /nfs/dbraw/zinc/72/61/68/558726168.db2.gz NMXJOILYEAYRCZ-UHFFFAOYSA-N 1 2 419.569 4.381 50 0 HIAALO CC(C)Cn1c2ccccc2[nH+]c1N1CCC[C@@H](C(=O)NCc2ccc(F)cc2)C1 ZINC000034906494 558787286 /nfs/dbraw/zinc/78/72/86/558787286.db2.gz RALXOGMHZNTLOO-LJQANCHMSA-N 1 2 408.521 4.364 50 0 HIAALO CCCOc1ccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)c2ccccc12 ZINC000036636411 558800469 /nfs/dbraw/zinc/80/04/69/558800469.db2.gz CGPVMWRGSPVNSH-UHFFFAOYSA-N 1 2 424.566 4.135 50 0 HIAALO Cc1cc(N2CCOCC2)nc(SCCOc2ccc(Cl)cc2Cl)[nH+]1 ZINC000016887170 558808725 /nfs/dbraw/zinc/80/87/25/558808725.db2.gz IIUOGHVUWSHOJS-UHFFFAOYSA-N 1 2 400.331 4.100 50 0 HIAALO COc1ccc(Cl)cc1NC(=S)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000017082308 558814345 /nfs/dbraw/zinc/81/43/45/558814345.db2.gz UFVAFQAHBFIOSA-VMPITWQZSA-N 1 2 401.963 4.376 50 0 HIAALO COCc1ccc(C[N@@H+]2CCCC[C@H]2C(=O)Nc2ccc(-n3nc(C)cc3C)cc2)o1 ZINC000019147555 558846800 /nfs/dbraw/zinc/84/68/00/558846800.db2.gz IUEXDLMUQSAANG-QHCPKHFHSA-N 1 2 422.529 4.222 50 0 HIAALO COCc1ccc(C[N@H+]2CCCC[C@H]2C(=O)Nc2ccc(-n3nc(C)cc3C)cc2)o1 ZINC000019147555 558846801 /nfs/dbraw/zinc/84/68/01/558846801.db2.gz IUEXDLMUQSAANG-QHCPKHFHSA-N 1 2 422.529 4.222 50 0 HIAALO Fc1ccc(-c2n[nH]cc2C[NH+]2CCN(c3nc4ccccc4s3)CC2)c(F)c1 ZINC000055211749 558876213 /nfs/dbraw/zinc/87/62/13/558876213.db2.gz BPXPFRBLLKFMFH-UHFFFAOYSA-N 1 2 411.481 4.287 50 0 HIAALO CSc1nnc(C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)n1C[C@@H]1CCCO1 ZINC000055575244 558882916 /nfs/dbraw/zinc/88/29/16/558882916.db2.gz XRAZFKREPUIVIZ-NRFANRHFSA-N 1 2 408.571 4.478 50 0 HIAALO CSc1nnc(C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)n1C[C@@H]1CCCO1 ZINC000055575244 558882918 /nfs/dbraw/zinc/88/29/18/558882918.db2.gz XRAZFKREPUIVIZ-NRFANRHFSA-N 1 2 408.571 4.478 50 0 HIAALO Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1C[NH+]1CCN(c2ncccn2)CC1 ZINC000055575918 558883243 /nfs/dbraw/zinc/88/32/43/558883243.db2.gz KUUSKGRFEGXYRQ-UHFFFAOYSA-N 1 2 411.509 4.429 50 0 HIAALO CC(=O)c1ccc(N2CC[NH+](Cc3cc(=O)oc4cc(C)c(Cl)cc34)CC2)cc1 ZINC000058159368 558904450 /nfs/dbraw/zinc/90/44/50/558904450.db2.gz GCSCYOUSDBOZKV-UHFFFAOYSA-N 1 2 410.901 4.280 50 0 HIAALO COc1cccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000058161223 558905517 /nfs/dbraw/zinc/90/55/17/558905517.db2.gz GLSINCFMYBZIBV-XMMPIXPASA-N 1 2 401.510 4.197 50 0 HIAALO Cc1nc(C)c(C(=O)Nc2ccc(Nc3cc(-n4ccnc4)nc(C)[nH+]3)cc2)s1 ZINC000072434161 558979904 /nfs/dbraw/zinc/97/99/04/558979904.db2.gz ZOWFKHBVFGDKKD-UHFFFAOYSA-N 1 2 405.487 4.040 50 0 HIAALO COc1ccccc1N1CC[NH+](Cc2coc3c(Cl)cc(Cl)cc3c2=O)CC1 ZINC000082138924 559040652 /nfs/dbraw/zinc/04/06/52/559040652.db2.gz BBMSQHFGIJYUIU-UHFFFAOYSA-N 1 2 419.308 4.431 50 0 HIAALO Cc1cccc(-c2nc(C[NH+]3CCC(C(=O)Nc4ccc(C)cc4F)CC3)no2)c1 ZINC000033327694 559060544 /nfs/dbraw/zinc/06/05/44/559060544.db2.gz MIJHTIFIIASWGL-UHFFFAOYSA-N 1 2 408.477 4.343 50 0 HIAALO O=C(Cn1c(-c2ccccc2)cn2c3ccccc3[nH+]c21)Nc1ccc2c(c1)OCCO2 ZINC000033330869 559062016 /nfs/dbraw/zinc/06/20/16/559062016.db2.gz ZVHIBJOSOJFCHY-UHFFFAOYSA-N 1 2 424.460 4.366 50 0 HIAALO COc1ccccc1[C@H]1C(C(=O)N2CCCCC2)=C(C)Nc2[nH+]c3ccccc3n21 ZINC000004787029 559064084 /nfs/dbraw/zinc/06/40/84/559064084.db2.gz LNGYPSHYASWOQR-QFIPXVFZSA-N 1 2 402.498 4.346 50 0 HIAALO COc1ccc(-c2ccccc2NC(=O)[C@@H]2CCCN(c3cc(C)[nH+]cn3)C2)cc1 ZINC000095511605 559084084 /nfs/dbraw/zinc/08/40/84/559084084.db2.gz LXAPNICFFBAXHM-LJQANCHMSA-N 1 2 402.498 4.316 50 0 HIAALO O=C1C[C@H](n2c3ccccc3[nH+]c2CCc2ccccc2)C(=O)N1c1ccc(F)cc1 ZINC000100137969 559130389 /nfs/dbraw/zinc/13/03/89/559130389.db2.gz PMRNVVHXKNTKCR-QFIPXVFZSA-N 1 2 413.452 4.465 50 0 HIAALO Cc1ccc([C@@H](c2ccccc2)[NH+]2CCN(S(=O)(=O)c3cccc(F)c3)CC2)cc1 ZINC000023335744 559172359 /nfs/dbraw/zinc/17/23/59/559172359.db2.gz RKBFNZOSPLZPEW-XMMPIXPASA-N 1 2 424.541 4.230 50 0 HIAALO CCn1c(=O)cc(SCC(=O)NCCC[N@H+](CC)c2ccccc2)c2ccccc21 ZINC000004884849 559196777 /nfs/dbraw/zinc/19/67/77/559196777.db2.gz TUWWJYLCCIBZIW-UHFFFAOYSA-N 1 2 423.582 4.146 50 0 HIAALO CCn1c(=O)cc(SCC(=O)NCCC[N@@H+](CC)c2ccccc2)c2ccccc21 ZINC000004884849 559196778 /nfs/dbraw/zinc/19/67/78/559196778.db2.gz TUWWJYLCCIBZIW-UHFFFAOYSA-N 1 2 423.582 4.146 50 0 HIAALO O=C(CSc1[nH+]cnc2c1cnn2Cc1ccccc1)Nc1ccc(Cl)cc1 ZINC000005478014 560594925 /nfs/dbraw/zinc/59/49/25/560594925.db2.gz XLQCFALHFIGNAU-UHFFFAOYSA-N 1 2 409.902 4.259 50 0 HIAALO Cc1ccc(-n2ncc3c2nc[nH+]c3SCC(=O)Nc2ccc(C)c(F)c2)cc1 ZINC000005478167 560595028 /nfs/dbraw/zinc/59/50/28/560595028.db2.gz UZHLECFZYWVRFO-UHFFFAOYSA-N 1 2 407.474 4.302 50 0 HIAALO Cc1cccc(C)c1NC(=O)CSc1[nH+]cnc2c1cnn2Cc1ccccc1 ZINC000005500087 560598364 /nfs/dbraw/zinc/59/83/64/560598364.db2.gz DHXNYSDTYUYKIX-UHFFFAOYSA-N 1 2 403.511 4.222 50 0 HIAALO Cc1cc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)c(C)n1Cc1ccco1 ZINC000107544216 560896635 /nfs/dbraw/zinc/89/66/35/560896635.db2.gz KTBDRTODRCYGDO-VXKWHMMOSA-N 1 2 413.468 4.200 50 0 HIAALO Cc1cc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)c(C)n1Cc1ccco1 ZINC000107544216 560896636 /nfs/dbraw/zinc/89/66/36/560896636.db2.gz KTBDRTODRCYGDO-VXKWHMMOSA-N 1 2 413.468 4.200 50 0 HIAALO CC(C)(C)OC1CC([N@@H+]2CC[C@H](c3ccc(F)cc3)[C@@H](NC(=O)C(F)(F)F)C2)C1 ZINC000108390298 568418501 /nfs/dbraw/zinc/41/85/01/568418501.db2.gz NYMQBVRQYKCILL-HIEASXQVSA-N 1 2 416.459 4.008 50 0 HIAALO CC(C)(C)OC1CC([N@H+]2CC[C@H](c3ccc(F)cc3)[C@@H](NC(=O)C(F)(F)F)C2)C1 ZINC000108390298 568418503 /nfs/dbraw/zinc/41/85/03/568418503.db2.gz NYMQBVRQYKCILL-HIEASXQVSA-N 1 2 416.459 4.008 50 0 HIAALO CC(C)(C)OC1CC([N@@H+]2CC[C@@H](c3ccc(F)cc3)[C@@H](NC(=O)C(F)(F)F)C2)C1 ZINC000108390296 568418580 /nfs/dbraw/zinc/41/85/80/568418580.db2.gz NYMQBVRQYKCILL-FOIPXRHGSA-N 1 2 416.459 4.008 50 0 HIAALO CC(C)(C)OC1CC([N@H+]2CC[C@@H](c3ccc(F)cc3)[C@@H](NC(=O)C(F)(F)F)C2)C1 ZINC000108390296 568418583 /nfs/dbraw/zinc/41/85/83/568418583.db2.gz NYMQBVRQYKCILL-FOIPXRHGSA-N 1 2 416.459 4.008 50 0 HIAALO CCCCc1nn2c(nc(C[N@H+](Cc3ccco3)Cc3ccccc3)cc2=O)s1 ZINC000046032357 568424684 /nfs/dbraw/zinc/42/46/84/568424684.db2.gz FCCRBAPVNKYIDS-UHFFFAOYSA-N 1 2 408.527 4.289 50 0 HIAALO CCCCc1nn2c(nc(C[N@@H+](Cc3ccco3)Cc3ccccc3)cc2=O)s1 ZINC000046032357 568424685 /nfs/dbraw/zinc/42/46/85/568424685.db2.gz FCCRBAPVNKYIDS-UHFFFAOYSA-N 1 2 408.527 4.289 50 0 HIAALO COc1ccc(C)cc1C(=O)CCC(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000048326943 568439912 /nfs/dbraw/zinc/43/99/12/568439912.db2.gz TXZSFUOIDPLEEW-UHFFFAOYSA-N 1 2 409.530 4.058 50 0 HIAALO Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1C(=O)NCCCn1cc[nH+]c1 ZINC000012323877 568471486 /nfs/dbraw/zinc/47/14/86/568471486.db2.gz MLJSTOSJLARRIH-UHFFFAOYSA-N 1 2 410.421 4.034 50 0 HIAALO O=C(C[N@@H+](Cc1cccs1)C[C@@H]1CCCO1)Nc1ccccc1Br ZINC000007927303 568486121 /nfs/dbraw/zinc/48/61/21/568486121.db2.gz AZNYOWOVULEHKI-AWEZNQCLSA-N 1 2 409.349 4.130 50 0 HIAALO O=C(C[N@H+](Cc1cccs1)C[C@@H]1CCCO1)Nc1ccccc1Br ZINC000007927303 568486122 /nfs/dbraw/zinc/48/61/22/568486122.db2.gz AZNYOWOVULEHKI-AWEZNQCLSA-N 1 2 409.349 4.130 50 0 HIAALO CCOc1ccc(-c2cs/c(=N/c3ccccc3)n2CC[NH+]2CCOCC2)cc1 ZINC000000820483 568498211 /nfs/dbraw/zinc/49/82/11/568498211.db2.gz ZBUCSKDVIGBMQG-WCWDXBQESA-N 1 2 409.555 4.180 50 0 HIAALO Cc1[nH]c2ccc(NC(=O)CSc3nnc(-c4cc5ccccc5o4)n3C)cc2[nH+]1 ZINC000033087918 568510754 /nfs/dbraw/zinc/51/07/54/568510754.db2.gz BEYGIPNGSIJHRV-UHFFFAOYSA-N 1 2 418.482 4.144 50 0 HIAALO CCN1CC[NH+](CCCN(Cc2ccco2)C(=S)Nc2c(C)cccc2C)CC1 ZINC000020107862 568588366 /nfs/dbraw/zinc/58/83/66/568588366.db2.gz ORJJDZKHNDHLAV-UHFFFAOYSA-N 1 2 414.619 4.123 50 0 HIAALO O=C(CN1CC[NH+](CCSc2cc(Cl)ccc2Cl)CC1)Nc1ccccc1 ZINC000095348660 568600208 /nfs/dbraw/zinc/60/02/08/568600208.db2.gz JUAQVJKLIVCKBB-UHFFFAOYSA-N 1 2 424.397 4.342 50 0 HIAALO COc1cccc(COc2cccc(Cl)c2C[NH2+][C@@H](C)c2nnc3n2CCC3)c1 ZINC000095467776 568624833 /nfs/dbraw/zinc/62/48/33/568624833.db2.gz VNEQXLBWUWSJMK-HNNXBMFYSA-N 1 2 412.921 4.316 50 0 HIAALO Cc1ncc(C[NH+]2CCOCC2)c2cc(-c3cc(=O)oc4cc5c(cc43)CCC5)oc21 ZINC000095537779 568635658 /nfs/dbraw/zinc/63/56/58/568635658.db2.gz PLKYBBYAXCMGKE-UHFFFAOYSA-N 1 2 416.477 4.231 50 0 HIAALO O=C(COc1ccc(Cl)cc1)NC[C@H](c1cccnc1)[N@@H+]1CCc2ccccc2C1 ZINC000020902042 568650030 /nfs/dbraw/zinc/65/00/30/568650030.db2.gz WTKHSKXLPSDWQL-HSZRJFAPSA-N 1 2 421.928 4.030 50 0 HIAALO O=C(COc1ccc(Cl)cc1)NC[C@H](c1cccnc1)[N@H+]1CCc2ccccc2C1 ZINC000020902042 568650032 /nfs/dbraw/zinc/65/00/32/568650032.db2.gz WTKHSKXLPSDWQL-HSZRJFAPSA-N 1 2 421.928 4.030 50 0 HIAALO COc1cccc(S(=O)(=O)Nc2ccccc2CCc2[nH]c3ccccc3[nH+]2)c1 ZINC000021357217 568688322 /nfs/dbraw/zinc/68/83/22/568688322.db2.gz YGYSATNKSQKLBN-UHFFFAOYSA-N 1 2 407.495 4.158 50 0 HIAALO Cc1cc(NC(=O)C2CCN(c3cc(-n4ccc5ccccc54)nc[nH+]3)CC2)sn1 ZINC000096124047 568700422 /nfs/dbraw/zinc/70/04/22/568700422.db2.gz HSDYOUHJLNFWGT-UHFFFAOYSA-N 1 2 418.526 4.041 50 0 HIAALO COc1ccc(C2(C(=O)NCCn3c4ccccc4[nH+]c3C(C)C)CCOCC2)cc1 ZINC000096223209 568706138 /nfs/dbraw/zinc/70/61/38/568706138.db2.gz XRLBUXJIVSDTKI-UHFFFAOYSA-N 1 2 421.541 4.033 50 0 HIAALO Cc1cc(C)c2[nH+]c(C)cc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)c2c1 ZINC000012421891 568720751 /nfs/dbraw/zinc/72/07/51/568720751.db2.gz HJIZDMHIALRRKR-UHFFFAOYSA-N 1 2 423.538 4.197 50 0 HIAALO C[NH+](C)[C@@H](c1nc([C@H](NC(=O)OC(C)(C)C)c2ccccc2)no1)c1ccccc1 ZINC000240626803 568730265 /nfs/dbraw/zinc/73/02/65/568730265.db2.gz HJECVIKFKKHPOP-RTBURBONSA-N 1 2 408.502 4.335 50 0 HIAALO CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)C[NH+]1CCC(C)CC1 ZINC000015224925 568819333 /nfs/dbraw/zinc/81/93/33/568819333.db2.gz DAGUMPZMAHEVIS-UHFFFAOYSA-N 1 2 416.543 4.271 50 0 HIAALO O=C(NC[C@@H](c1ccco1)[NH+]1CCN(c2ccccc2)CC1)c1cccc(Cl)c1 ZINC000056945269 568821575 /nfs/dbraw/zinc/82/15/75/568821575.db2.gz DBKZIPXKIKFBKD-NRFANRHFSA-N 1 2 409.917 4.226 50 0 HIAALO CC(C)(C)c1ccc(OCCC(=O)NC[C@H](c2cccs2)[NH+]2CCOCC2)cc1 ZINC000029841313 568837622 /nfs/dbraw/zinc/83/76/22/568837622.db2.gz CRTUQWGGZDTMTH-HXUWFJFHSA-N 1 2 416.587 4.004 50 0 HIAALO CCOc1ccc([C@H]2CCC[N@@H+]2Cc2nc(N)nc(Nc3ccccc3CC)n2)cc1 ZINC000057547506 568852870 /nfs/dbraw/zinc/85/28/70/568852870.db2.gz PIDILHDEQQZVIK-OAQYLSRUSA-N 1 2 418.545 4.496 50 0 HIAALO CCOc1ccc([C@H]2CCC[N@H+]2Cc2nc(N)nc(Nc3ccccc3CC)n2)cc1 ZINC000057547506 568852871 /nfs/dbraw/zinc/85/28/71/568852871.db2.gz PIDILHDEQQZVIK-OAQYLSRUSA-N 1 2 418.545 4.496 50 0 HIAALO Cc1cc(Cl)cc(C)c1OCC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1F ZINC000012558938 568856946 /nfs/dbraw/zinc/85/69/46/568856946.db2.gz LTUVVZXJQHJRQJ-LJQANCHMSA-N 1 2 401.869 4.114 50 0 HIAALO COc1ccccc1[C@@H](NC(=O)Cc1ccc(Cl)cc1Cl)c1[nH+]ccn1C ZINC000012602001 568870245 /nfs/dbraw/zinc/87/02/45/568870245.db2.gz ALZDDYVQXKKSGP-LJQANCHMSA-N 1 2 404.297 4.184 50 0 HIAALO O=C(CN1CC[NH+](Cc2ccc(Cl)cc2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000058146628 568892287 /nfs/dbraw/zinc/89/22/87/568892287.db2.gz GSPQWTVBUXYKKP-UHFFFAOYSA-N 1 2 412.748 4.403 50 0 HIAALO CC(=O)Nc1ccc(NC(=O)C[N@@H+]2CCc3sccc3[C@H]2c2ccccc2)cc1 ZINC000012748469 568934910 /nfs/dbraw/zinc/93/49/10/568934910.db2.gz LOQMVZRCQFAZFS-HSZRJFAPSA-N 1 2 405.523 4.293 50 0 HIAALO CC(=O)Nc1ccc(NC(=O)C[N@H+]2CCc3sccc3[C@H]2c2ccccc2)cc1 ZINC000012748469 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COc1ccc(C2=NN(C(=O)C[N@@H+]3CCc4ccccc4C3)[C@@H](c3ccco3)C2)cc1 ZINC000035361618 569033710 /nfs/dbraw/zinc/03/37/10/569033710.db2.gz SAYRGBSVDOYIFH-HSZRJFAPSA-N 1 2 415.493 4.024 50 0 HIAALO COc1ccc(C2=NN(C(=O)C[N@H+]3CCc4ccccc4C3)[C@@H](c3ccco3)C2)cc1 ZINC000035361618 569033711 /nfs/dbraw/zinc/03/37/11/569033711.db2.gz SAYRGBSVDOYIFH-HSZRJFAPSA-N 1 2 415.493 4.024 50 0 HIAALO O=C1NC2(CC[NH+](Cc3ccc(F)cc3Cl)CC2)N=C1c1ccc(Cl)cc1 ZINC000035430976 569037005 /nfs/dbraw/zinc/03/70/05/569037005.db2.gz UXWFUWIZFZOADQ-UHFFFAOYSA-N 1 2 406.288 4.044 50 0 HIAALO COc1ccccc1C[N@H+](Cc1nc(C(=O)NCc2ccco2)co1)[C@@H](C)C(C)C ZINC000036069098 569085964 /nfs/dbraw/zinc/08/59/64/569085964.db2.gz SSVPTUXRNXMFMH-KRWDZBQOSA-N 1 2 411.502 4.253 50 0 HIAALO COc1ccccc1C[N@@H+](Cc1nc(C(=O)NCc2ccco2)co1)[C@@H](C)C(C)C ZINC000036069098 569085965 /nfs/dbraw/zinc/08/59/65/569085965.db2.gz SSVPTUXRNXMFMH-KRWDZBQOSA-N 1 2 411.502 4.253 50 0 HIAALO Cc1ccc(C[N@H+](Cc2nc(C(=O)NC[C@H]3CCCO3)co2)Cc2ccccc2)cc1 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C[N@H+](Cc1ccc(C(=O)NCC(F)(F)F)cc1)Cc1ccccc1Br ZINC000027298061 569292963 /nfs/dbraw/zinc/29/29/63/569292963.db2.gz ASQFAYJJJWHFEV-UHFFFAOYSA-N 1 2 415.253 4.373 50 0 HIAALO C[N@@H+](Cc1ccc(C(=O)NCC(F)(F)F)cc1)Cc1ccccc1Br ZINC000027298061 569292964 /nfs/dbraw/zinc/29/29/64/569292964.db2.gz ASQFAYJJJWHFEV-UHFFFAOYSA-N 1 2 415.253 4.373 50 0 HIAALO Cc1cc2[nH+]c(Cc3cccc(Cl)c3)n(CCC(=O)N3CCOCC3)c2cc1C ZINC000037398577 569297115 /nfs/dbraw/zinc/29/71/15/569297115.db2.gz MACFAIOYMPCZJV-UHFFFAOYSA-N 1 2 411.933 4.146 50 0 HIAALO CCOc1ccccc1NC(=O)CSc1[nH+]cnc2c1cnn2-c1ccc(C)cc1 ZINC000002447635 569401667 /nfs/dbraw/zinc/40/16/67/569401667.db2.gz DKMIUWSBKLJRCF-UHFFFAOYSA-N 1 2 419.510 4.253 50 0 HIAALO C[NH+](C)Cc1nc(C2(NC(=O)CCSc3ccc(F)cc3)CCCCCC2)no1 ZINC000078975591 569422705 /nfs/dbraw/zinc/42/27/05/569422705.db2.gz AXVYQBODKQZTBA-UHFFFAOYSA-N 1 2 420.554 4.118 50 0 HIAALO CCOc1ccc(CSc2nnc(C[NH+]3CCCC3)n2Cc2ccccc2)nc1 ZINC000079051152 569425538 /nfs/dbraw/zinc/42/55/38/569425538.db2.gz 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Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1C[NH+]1CCN(c2cnccn2)CC1 ZINC000055108633 571315315 /nfs/dbraw/zinc/31/53/15/571315315.db2.gz MQJFNHSQCZAVBD-UHFFFAOYSA-N 1 2 411.509 4.429 50 0 HIAALO FC(F)(F)c1cccc(Cc2noc(C[NH+]3CCC(c4ccncc4)CC3)n2)c1 ZINC000012435279 845871263 /nfs/dbraw/zinc/87/12/63/845871263.db2.gz NKGPKGBJGOADMH-UHFFFAOYSA-N 1 2 402.420 4.454 50 0 HIAALO CC(=O)c1cc(C[N@@H+]2CCC[C@@H](N3CCN(c4cccc(Cl)c4)CC3)C2)cs1 ZINC000020207501 846382314 /nfs/dbraw/zinc/38/23/14/846382314.db2.gz HPUQZULSARWRIZ-OAQYLSRUSA-N 1 2 418.006 4.391 50 0 HIAALO CC(=O)c1cc(C[N@H+]2CCC[C@@H](N3CCN(c4cccc(Cl)c4)CC3)C2)cs1 ZINC000020207501 846382323 /nfs/dbraw/zinc/38/23/23/846382323.db2.gz HPUQZULSARWRIZ-OAQYLSRUSA-N 1 2 418.006 4.391 50 0 HIAALO COc1ccc(Cl)cc1NC(=O)[C@H](C)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000033530602 848137130 /nfs/dbraw/zinc/13/71/30/848137130.db2.gz AVASCBHTYQRLBW-KKMIYCERSA-N 1 2 413.949 4.007 50 0 HIAALO O=C(/C=C\c1ccc(Br)s1)N[C@H](Cc1[nH]cc[nH+]1)c1ccccc1 ZINC000098053175 852651193 /nfs/dbraw/zinc/65/11/93/852651193.db2.gz AVZZFBXYQZFAKN-SOIVGHGOSA-N 1 2 402.317 4.347 50 0 HIAALO CCn1ncc(CN(C)C(=O)c2c(C)oc3c2C[N@H+](Cc2cccc(F)c2)CC3)c1C ZINC000104931210 852683355 /nfs/dbraw/zinc/68/33/55/852683355.db2.gz UTWVJELOUIAPSD-UHFFFAOYSA-N 1 2 424.520 4.082 50 0 HIAALO CCn1ncc(CN(C)C(=O)c2c(C)oc3c2C[N@@H+](Cc2cccc(F)c2)CC3)c1C ZINC000104931210 852683362 /nfs/dbraw/zinc/68/33/62/852683362.db2.gz UTWVJELOUIAPSD-UHFFFAOYSA-N 1 2 424.520 4.082 50 0 HIAALO COc1ccc(C2(C(=O)N3CCC(n4c(C)c[nH+]c4-c4ccncc4)CC3)CC2)cc1 ZINC000575551542 948676626 /nfs/dbraw/zinc/67/66/26/948676626.db2.gz WHZWZRPPOYWIFP-UHFFFAOYSA-N 1 2 416.525 4.157 50 0 HIAALO O=C(Cc1cccnc1)N1CCC(Cc2ccc(COc3cc[nH+]cc3)cc2)CC1 ZINC000575552338 948677262 /nfs/dbraw/zinc/67/72/62/948677262.db2.gz KPRCDLUQFDWBCA-UHFFFAOYSA-N 1 2 401.510 4.079 50 0 HIAALO O=C(CC1CCCC1)N1CCC([N@@H+]2C[C@H](Oc3ccccc3)[C@@H]2c2ccncc2)CC1 ZINC000575553725 948679424 /nfs/dbraw/zinc/67/94/24/948679424.db2.gz GASHDUJNEMEOJQ-AHWVRZQESA-N 1 2 419.569 4.457 50 0 HIAALO O=C(CC1CCCC1)N1CCC([N@H+]2C[C@H](Oc3ccccc3)[C@@H]2c2ccncc2)CC1 ZINC000575553725 948679446 /nfs/dbraw/zinc/67/94/46/948679446.db2.gz GASHDUJNEMEOJQ-AHWVRZQESA-N 1 2 419.569 4.457 50 0 HIAALO O=C(c1ccc(COc2ccccc2Cl)cc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000002752770 132257565 /nfs/dbraw/zinc/25/75/65/132257565.db2.gz MILQRJOYFNFQCI-UHFFFAOYSA-N 1 2 407.901 4.276 50 0 HIAALO COc1ccc(-c2cc(C(=O)N3CCN(c4cccc[nH+]4)CC3)c3ccccc3n2)cc1 ZINC000003037540 132261812 /nfs/dbraw/zinc/26/18/12/132261812.db2.gz PPARLLQGRDACAM-UHFFFAOYSA-N 1 2 424.504 4.268 50 0 HIAALO COc1cc(OC)c(C[NH+]2CCN(c3cc(C)ccc3C)CC2)cc1Br ZINC000004980677 132297633 /nfs/dbraw/zinc/29/76/33/132297633.db2.gz ZPQSJHCADDHGMS-UHFFFAOYSA-N 1 2 419.363 4.405 50 0 HIAALO CC(=O)Nc1ccc2[nH+]c(N3CCC(C(=O)NCc4cccs4)CC3)cc(C)c2c1 ZINC000021704138 519735062 /nfs/dbraw/zinc/73/50/62/519735062.db2.gz WRRMLEHDINCCQJ-UHFFFAOYSA-N 1 2 422.554 4.096 50 0 HIAALO CCOc1ccc(NC(=O)Nc2ccc3[nH+]c(N4CCOCC4)cc(C)c3c2)cc1 ZINC000032953863 521100590 /nfs/dbraw/zinc/10/05/90/521100590.db2.gz YWUILHDJGBJMIJ-UHFFFAOYSA-N 1 2 406.486 4.423 50 0 HIAALO CCOC(=O)c1ccc(NC(=S)N2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000020057614 521516377 /nfs/dbraw/zinc/51/63/77/521516377.db2.gz VYAZXIYAMNWIHM-UHFFFAOYSA-N 1 2 417.962 4.031 50 0 HIAALO COC(=O)c1cccc(CSc2nnc(C[NH+]3CCCCC3)n2-c2ccccc2)c1 ZINC000032708112 522220085 /nfs/dbraw/zinc/22/00/85/522220085.db2.gz DUQSWNMGRLNLEV-UHFFFAOYSA-N 1 2 422.554 4.332 50 0 HIAALO C[C@H](NC(=O)NCc1ccccc1C[NH+]1CCOCC1)c1ccc2ccccc2c1 ZINC000032863401 525083039 /nfs/dbraw/zinc/08/30/39/525083039.db2.gz NRFJOWMJLVISQX-IBGZPJMESA-N 1 2 403.526 4.232 50 0 HIAALO Oc1cccc(-c2nc3c4c5c(sc4ncn3n2)C[N@H+](Cc2ccccc2)CC5)c1 ZINC000020566893 526357151 /nfs/dbraw/zinc/35/71/51/526357151.db2.gz CRCNRJFPVYVAFW-UHFFFAOYSA-N 1 2 413.506 4.270 50 0 HIAALO Oc1cccc(-c2nc3c4c5c(sc4ncn3n2)C[N@@H+](Cc2ccccc2)CC5)c1 ZINC000020566893 526357159 /nfs/dbraw/zinc/35/71/59/526357159.db2.gz CRCNRJFPVYVAFW-UHFFFAOYSA-N 1 2 413.506 4.270 50 0 HIAALO O=C(CCC(=O)N1CCCCCC1)Nc1ccc(CCc2[nH]c3ccccc3[nH+]2)cc1 ZINC000032960685 526378539 /nfs/dbraw/zinc/37/85/39/526378539.db2.gz YLWVYVMOHXGJPS-UHFFFAOYSA-N 1 2 418.541 4.469 50 0 HIAALO O=C(c1ccc(OCc2cscn2)cc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000032747473 526709963 /nfs/dbraw/zinc/70/99/63/526709963.db2.gz XAXTURWTIRESHV-QPJJXVBHSA-N 1 2 419.550 4.193 50 0 HIAALO O=C(c1ccc2c(c1)OCO2)N1CC[NH+](Cc2ccc(-c3ccccc3)s2)CC1 ZINC000031938139 526729241 /nfs/dbraw/zinc/72/92/41/526729241.db2.gz JYGXMMKLCQHTEW-UHFFFAOYSA-N 1 2 406.507 4.102 50 0 HIAALO CCN(CC)c1ccc(C(=O)Nc2ccc3[nH+]c(N4CCOCC4)cc(C)c3c2)cc1 ZINC000003649693 535684049 /nfs/dbraw/zinc/68/40/49/535684049.db2.gz FVICVPVMBJOCFF-UHFFFAOYSA-N 1 2 418.541 4.478 50 0 HIAALO CCOc1ccc([C@H](C2Sc3nc(C)nn3C2=O)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000022627427 557112627 /nfs/dbraw/zinc/11/26/27/557112627.db2.gz MSIYCRRASKHRJT-HXUWFJFHSA-N 1 2 420.538 4.351 50 0 HIAALO CCOc1ccc([C@H](C2Sc3nc(C)nn3C2=O)[N@H+]2CCc3ccccc3C2)cc1 ZINC000022627427 557112635 /nfs/dbraw/zinc/11/26/35/557112635.db2.gz MSIYCRRASKHRJT-HXUWFJFHSA-N 1 2 420.538 4.351 50 0 HIAALO COc1ccc(CC(=O)N[C@@H]2CCN(c3[nH+]c4ccccc4n3C3CCCC3)C2)cc1 ZINC000034907200 557474254 /nfs/dbraw/zinc/47/42/54/557474254.db2.gz ICSCIEAOOSQRMY-LJQANCHMSA-N 1 2 418.541 4.098 50 0 HIAALO COc1cc(OC)c(C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)cc1Br ZINC000004978679 557619917 /nfs/dbraw/zinc/61/99/17/557619917.db2.gz PJJMGWUUQHNBGQ-UHFFFAOYSA-N 1 2 422.319 4.042 50 0 HIAALO COc1cc(OC)c(C[N@H+]2CCc3cc(OC)c(OC)cc3C2)cc1Br ZINC000004978679 557619920 /nfs/dbraw/zinc/61/99/20/557619920.db2.gz PJJMGWUUQHNBGQ-UHFFFAOYSA-N 1 2 422.319 4.042 50 0 HIAALO C[C@@H](NC(=O)c1sc2nc3c(cc2c1N)C[N@@H+](C)CC3)C12CC3CC(CC(C3)C1)C2 ZINC000008748349 557805443 /nfs/dbraw/zinc/80/54/43/557805443.db2.gz WRBGNSXIACYCAN-LYTYMJBXSA-N 1 2 424.614 4.201 50 0 HIAALO C[C@@H](NC(=O)c1sc2nc3c(cc2c1N)C[N@H+](C)CC3)C12CC3CC(CC(C3)C1)C2 ZINC000008748349 557805445 /nfs/dbraw/zinc/80/54/45/557805445.db2.gz WRBGNSXIACYCAN-LYTYMJBXSA-N 1 2 424.614 4.201 50 0 HIAALO NC(=O)[C@@H](c1ccccc1)N1CC[NH+]([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000097527632 557816815 /nfs/dbraw/zinc/81/68/15/557816815.db2.gz VSIWMBNGRXAYHT-BJKOFHAPSA-N 1 2 419.956 4.274 50 0 HIAALO Cc1cc(C)c(S(=O)(=O)NC[C@@H](c2ccco2)[N@@H+]2CCc3ccccc3C2)c(C)c1 ZINC000022907158 557852897 /nfs/dbraw/zinc/85/28/97/557852897.db2.gz OWGGGYQYPAXKBI-QFIPXVFZSA-N 1 2 424.566 4.283 50 0 HIAALO Cc1cc(C)c(S(=O)(=O)NC[C@@H](c2ccco2)[N@H+]2CCc3ccccc3C2)c(C)c1 ZINC000022907158 557852898 /nfs/dbraw/zinc/85/28/98/557852898.db2.gz OWGGGYQYPAXKBI-QFIPXVFZSA-N 1 2 424.566 4.283 50 0 HIAALO CCc1ccc(S(=O)(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000019787290 558281651 /nfs/dbraw/zinc/28/16/51/558281651.db2.gz FRZDEVPIEHKPKO-UHFFFAOYSA-N 1 2 420.578 4.345 50 0 HIAALO O[C@H](c1ccccn1)C1CC[NH+](Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)CC1 ZINC000011818565 558281788 /nfs/dbraw/zinc/28/17/88/558281788.db2.gz PFOPZLIACQSDJO-IBGZPJMESA-N 1 2 418.419 4.096 50 0 HIAALO Cc1ccc(C(=O)Nc2ccccc2C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000019791034 558282522 /nfs/dbraw/zinc/28/25/22/558282522.db2.gz SREDBHQUIGOOLY-UHFFFAOYSA-N 1 2 413.521 4.205 50 0 HIAALO CCCCc1ccc(NC(=S)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000019815094 558287145 /nfs/dbraw/zinc/28/71/45/558287145.db2.gz SHTAAVAEMFILDC-UHFFFAOYSA-N 1 2 411.571 4.273 50 0 HIAALO COc1ccccc1OCCn1c2ccccc2n(CCOc2ccccc2C)c1=[NH2+] ZINC000019900360 558305122 /nfs/dbraw/zinc/30/51/22/558305122.db2.gz CIIJUWFAPPQHSG-UHFFFAOYSA-N 1 2 417.509 4.397 50 0 HIAALO O[C@H](CCc1ccccc1)c1ccc2c(c1)C[N@@H+](Cc1cccc3c1OCO3)CCO2 ZINC000011995581 558306609 /nfs/dbraw/zinc/30/66/09/558306609.db2.gz LDTSRFWXIQGORB-HSZRJFAPSA-N 1 2 417.505 4.476 50 0 HIAALO O[C@H](CCc1ccccc1)c1ccc2c(c1)C[N@H+](Cc1cccc3c1OCO3)CCO2 ZINC000011995581 558306610 /nfs/dbraw/zinc/30/66/10/558306610.db2.gz LDTSRFWXIQGORB-HSZRJFAPSA-N 1 2 417.505 4.476 50 0 HIAALO Cc1ccc(C(C)C)c(OCc2nc3c4c5c(sc4ncn3n2)C[N@H+](C)CC5)c1 ZINC000020025707 558322637 /nfs/dbraw/zinc/32/26/37/558322637.db2.gz APHSZUYYZKXSBM-UHFFFAOYSA-N 1 2 407.543 4.338 50 0 HIAALO Cc1ccc(C(C)C)c(OCc2nc3c4c5c(sc4ncn3n2)C[N@@H+](C)CC5)c1 ZINC000020025707 558322638 /nfs/dbraw/zinc/32/26/38/558322638.db2.gz APHSZUYYZKXSBM-UHFFFAOYSA-N 1 2 407.543 4.338 50 0 HIAALO C[N@@H+]1CCc2c(sc3ncn4nc(COc5cccc6ccccc65)nc4c23)C1 ZINC000020029515 558323587 /nfs/dbraw/zinc/32/35/87/558323587.db2.gz RBQUSETWYHONRO-UHFFFAOYSA-N 1 2 401.495 4.059 50 0 HIAALO C[N@H+]1CCc2c(sc3ncn4nc(COc5cccc6ccccc65)nc4c23)C1 ZINC000020029515 558323592 /nfs/dbraw/zinc/32/35/92/558323592.db2.gz RBQUSETWYHONRO-UHFFFAOYSA-N 1 2 401.495 4.059 50 0 HIAALO Cc1nn(-c2ccccc2)c(C)c1C[NH+]1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000020608361 558389105 /nfs/dbraw/zinc/38/91/05/558389105.db2.gz LFTHKTNGTBGWPB-UHFFFAOYSA-N 1 2 408.933 4.101 50 0 HIAALO Cc1ccc(-n2ncc3c2nc[nH+]c3N2CCN(c3ccccc3F)CC2)cc1Cl ZINC000020662140 558397874 /nfs/dbraw/zinc/39/78/74/558397874.db2.gz KWLIJLGMQTYOFB-UHFFFAOYSA-N 1 2 422.895 4.243 50 0 HIAALO COc1ccc(C)cc1NC(=O)[C@@H]([NH2+]Cc1nc2ccccc2n1C)c1ccccc1 ZINC000012629392 558441138 /nfs/dbraw/zinc/44/11/38/558441138.db2.gz RSBXCEVEJQQZCF-DEOSSOPVSA-N 1 2 414.509 4.360 50 0 HIAALO Cn1cccc1[C@@H]1CCC[N@@H+]1CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000012984148 558494573 /nfs/dbraw/zinc/49/45/73/558494573.db2.gz CYDPAIPPAADIFU-SFHVURJKSA-N 1 2 402.470 4.202 50 0 HIAALO Cn1cccc1[C@@H]1CCC[N@H+]1CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000012984148 558494575 /nfs/dbraw/zinc/49/45/75/558494575.db2.gz CYDPAIPPAADIFU-SFHVURJKSA-N 1 2 402.470 4.202 50 0 HIAALO CCOC(=O)c1sc2[nH]c([C@@H](C)[N@H+](C)Cc3ccc(Cl)cc3)nc(=O)c2c1C ZINC000013055885 558508430 /nfs/dbraw/zinc/50/84/30/558508430.db2.gz JSKZDAXXEGXALX-GFCCVEGCSA-N 1 2 419.934 4.316 50 0 HIAALO CCOC(=O)c1sc2[nH]c([C@@H](C)[N@@H+](C)Cc3ccc(Cl)cc3)nc(=O)c2c1C ZINC000013055885 558508434 /nfs/dbraw/zinc/50/84/34/558508434.db2.gz JSKZDAXXEGXALX-GFCCVEGCSA-N 1 2 419.934 4.316 50 0 HIAALO COc1cccc(C[N@H+](C)CC(=O)N2CC[C@@H](C)Sc3ccccc32)c1OC ZINC000013058216 558509163 /nfs/dbraw/zinc/50/91/63/558509163.db2.gz ZRXBOXPPPLWXKC-MRXNPFEDSA-N 1 2 400.544 4.053 50 0 HIAALO COc1cccc(C[N@@H+](C)CC(=O)N2CC[C@@H](C)Sc3ccccc32)c1OC ZINC000013058216 558509165 /nfs/dbraw/zinc/50/91/65/558509165.db2.gz ZRXBOXPPPLWXKC-MRXNPFEDSA-N 1 2 400.544 4.053 50 0 HIAALO Cc1[nH]c2ccc(NC(=O)c3cccc(S(=O)(=O)Nc4ccccc4F)c3)cc2[nH+]1 ZINC000010896941 558544820 /nfs/dbraw/zinc/54/48/20/558544820.db2.gz GPGNBNSSKSMYHB-UHFFFAOYSA-N 1 2 424.457 4.064 50 0 HIAALO C[N@@H+]1CCc2nc(NC(=O)c3cn(-c4ccccc4)nc3-c3ccccc3)sc2C1 ZINC000023608260 558563534 /nfs/dbraw/zinc/56/35/34/558563534.db2.gz NOASQGGNXHFWOT-UHFFFAOYSA-N 1 2 415.522 4.236 50 0 HIAALO C[N@H+]1CCc2nc(NC(=O)c3cn(-c4ccccc4)nc3-c3ccccc3)sc2C1 ZINC000023608260 558563537 /nfs/dbraw/zinc/56/35/37/558563537.db2.gz NOASQGGNXHFWOT-UHFFFAOYSA-N 1 2 415.522 4.236 50 0 HIAALO O=C(c1cc(-c2cccs2)nc2ccccc21)N1CC[NH+](Cc2ccncc2)CC1 ZINC000023800934 558576176 /nfs/dbraw/zinc/57/61/76/558576176.db2.gz YVWQZSBOYGTGGG-UHFFFAOYSA-N 1 2 414.534 4.316 50 0 HIAALO COc1ccc([C@@H](C)[NH2+]Cc2nc3cc(Cl)ccc3c(=O)[nH]2)cc1Br ZINC000023804829 558576241 /nfs/dbraw/zinc/57/62/41/558576241.db2.gz JGEZGPYTGNGLIC-SNVBAGLBSA-N 1 2 422.710 4.198 50 0 HIAALO CC1CCC2(CC1)NC(=O)N(C[N@@H+]1CCc3sccc3[C@@H]1c1cccs1)C2=O ZINC000023855572 558577922 /nfs/dbraw/zinc/57/79/22/558577922.db2.gz FJPVFXSBCINICN-TUVDCLKLSA-N 1 2 415.584 4.215 50 0 HIAALO CC1CCC2(CC1)NC(=O)N(C[N@H+]1CCc3sccc3[C@@H]1c1cccs1)C2=O ZINC000023855572 558577924 /nfs/dbraw/zinc/57/79/24/558577924.db2.gz FJPVFXSBCINICN-TUVDCLKLSA-N 1 2 415.584 4.215 50 0 HIAALO O=C(CCCOc1ccc(Cl)cc1Cl)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000014248555 558648958 /nfs/dbraw/zinc/64/89/58/558648958.db2.gz BRHFFBBEKYJKMK-UHFFFAOYSA-N 1 2 408.329 4.464 50 0 HIAALO O[C@@H](Cc1ccccc1)c1ccc2c(c1)C[N@@H+](Cc1ccc3c(c1)OCO3)CCO2 ZINC000014880625 558676007 /nfs/dbraw/zinc/67/60/07/558676007.db2.gz LAATXAWIRADJOI-QFIPXVFZSA-N 1 2 403.478 4.086 50 0 HIAALO O[C@@H](Cc1ccccc1)c1ccc2c(c1)C[N@H+](Cc1ccc3c(c1)OCO3)CCO2 ZINC000014880625 558676009 /nfs/dbraw/zinc/67/60/09/558676009.db2.gz LAATXAWIRADJOI-QFIPXVFZSA-N 1 2 403.478 4.086 50 0 HIAALO Fc1cccc(C[NH+]2CCN(c3nc(-c4ccccc4)nc4c3CCC4)CC2)c1F ZINC000014958126 558683127 /nfs/dbraw/zinc/68/31/27/558683127.db2.gz BGIJBSMBAMAJJT-UHFFFAOYSA-N 1 2 406.480 4.233 50 0 HIAALO Cc1noc2nc(-c3ccccc3F)cc(C(=O)Nc3nc4c(s3)C[N@H+](C)CC4)c12 ZINC000027988603 558687448 /nfs/dbraw/zinc/68/74/48/558687448.db2.gz LFOVQISWIORIJI-UHFFFAOYSA-N 1 2 423.473 4.034 50 0 HIAALO Cc1noc2nc(-c3ccccc3F)cc(C(=O)Nc3nc4c(s3)C[N@@H+](C)CC4)c12 ZINC000027988603 558687453 /nfs/dbraw/zinc/68/74/53/558687453.db2.gz LFOVQISWIORIJI-UHFFFAOYSA-N 1 2 423.473 4.034 50 0 HIAALO Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)NCCCn3cc[nH+]c3)cc12 ZINC000028201713 558692550 /nfs/dbraw/zinc/69/25/50/558692550.db2.gz AYBIELUCLWQYIH-UHFFFAOYSA-N 1 2 413.934 4.125 50 0 HIAALO Cc1cccc(C[N@H+](C)Cc2nnc(SCc3ccccn3)n2C[C@@H]2CCCO2)c1 ZINC000014991374 558694562 /nfs/dbraw/zinc/69/45/62/558694562.db2.gz RTHGFQXPDLCCPQ-NRFANRHFSA-N 1 2 423.586 4.085 50 0 HIAALO Cc1cccc(C[N@@H+](C)Cc2nnc(SCc3ccccn3)n2C[C@@H]2CCCO2)c1 ZINC000014991374 558694563 /nfs/dbraw/zinc/69/45/63/558694563.db2.gz RTHGFQXPDLCCPQ-NRFANRHFSA-N 1 2 423.586 4.085 50 0 HIAALO Cc1oc(-c2cc3c(cc2Cl)OCO3)nc1CN1CCCC[C@@H]1c1[nH+]ccn1C ZINC000015062604 558705339 /nfs/dbraw/zinc/70/53/39/558705339.db2.gz IVJCCYSQBKLGHJ-QGZVFWFLSA-N 1 2 414.893 4.493 50 0 HIAALO COc1cccc([C@@H](NC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)c2[nH+]ccn2C)c1 ZINC000029331847 558713744 /nfs/dbraw/zinc/71/37/44/558713744.db2.gz JAODZYBUSUECDB-GAJHUEQPSA-N 1 2 418.541 4.457 50 0 HIAALO Cc1ccc(OCCNC(=O)N[C@H](c2[nH+]ccn2C)c2ccc(Cl)cc2)c(C)c1 ZINC000029724183 558719291 /nfs/dbraw/zinc/71/92/91/558719291.db2.gz CZAVJQFNFSMZJM-FQEVSTJZSA-N 1 2 412.921 4.158 50 0 HIAALO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)Nc1cccc(S(=O)(=O)C2CCCC2)c1 ZINC000072289096 558721453 /nfs/dbraw/zinc/72/14/53/558721453.db2.gz CXVXVAQMEIDGBX-UHFFFAOYSA-N 1 2 410.499 4.233 50 0 HIAALO O=C(NCCC[NH+]1CCN(C(F)(F)F)CC1)Nc1ccccc1C1CCCCC1 ZINC000022588200 558779490 /nfs/dbraw/zinc/77/94/90/558779490.db2.gz WXYMWAXQQXOPCE-UHFFFAOYSA-N 1 2 412.500 4.383 50 0 HIAALO O=C(c1ccc2cc[nH+]c(N3CCN(c4ccc(F)cc4)CC3)c2c1)N1CCCCC1 ZINC000035512307 558793127 /nfs/dbraw/zinc/79/31/27/558793127.db2.gz AZPUPDWHVSRGEV-UHFFFAOYSA-N 1 2 418.516 4.327 50 0 HIAALO CCN1CC[NH+]([C@H](c2cccs2)[C@H](C)NC(=S)Nc2cccc(C)c2C)CC1 ZINC000022941984 558794921 /nfs/dbraw/zinc/79/49/21/558794921.db2.gz OCGCHENCXSGMAE-RXVVDRJESA-N 1 2 416.660 4.419 50 0 HIAALO Cc1cc(C)n(CCC(=O)Nc2cccc(CCc3[nH+]c4ccccc4n3C)c2)n1 ZINC000033019698 558836161 /nfs/dbraw/zinc/83/61/61/558836161.db2.gz OCRALQTVUHAUCP-UHFFFAOYSA-N 1 2 401.514 4.201 50 0 HIAALO O=C(c1ccccc1F)N1CCN(c2[nH+]c3ccccc3n2Cc2ccccc2)CC1 ZINC000033106699 558874460 /nfs/dbraw/zinc/87/44/60/558874460.db2.gz VXOHFZHCDQLULG-UHFFFAOYSA-N 1 2 414.484 4.186 50 0 HIAALO Cc1cccc(C)c1NC(=O)c1ccccc1NC(=O)C[N@@H+](C)Cc1ccccn1 ZINC000055252946 558877568 /nfs/dbraw/zinc/87/75/68/558877568.db2.gz ADWHAQOVJWUHDR-UHFFFAOYSA-N 1 2 402.498 4.021 50 0 HIAALO Cc1cccc(C)c1NC(=O)c1ccccc1NC(=O)C[N@H+](C)Cc1ccccn1 ZINC000055252946 558877570 /nfs/dbraw/zinc/87/75/70/558877570.db2.gz ADWHAQOVJWUHDR-UHFFFAOYSA-N 1 2 402.498 4.021 50 0 HIAALO O=C(c1ccc(-c2ccccc2)cc1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000019374110 558880932 /nfs/dbraw/zinc/88/09/32/558880932.db2.gz HTEFRYKEOADWND-UHFFFAOYSA-N 1 2 400.478 4.040 50 0 HIAALO CCc1cccc(CC)c1NC(=O)C[NH+]1CCN(c2nc3ccccc3s2)CC1 ZINC000057551222 558889249 /nfs/dbraw/zinc/88/92/49/558889249.db2.gz AXFJCFKMZHECRA-UHFFFAOYSA-N 1 2 408.571 4.182 50 0 HIAALO O=C(C[NH+]1CCN(c2ccc(F)cc2)CC1)N(Cc1ccccc1)Cc1ccccc1 ZINC000058164506 558906709 /nfs/dbraw/zinc/90/67/09/558906709.db2.gz YRRITFYHZJREFN-UHFFFAOYSA-N 1 2 417.528 4.177 50 0 HIAALO C[C@@H](c1nc2ccccc2s1)[N@H+](C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C ZINC000058170495 558907970 /nfs/dbraw/zinc/90/79/70/558907970.db2.gz STRUPTRENLETDD-GJZGRUSLSA-N 1 2 408.527 4.053 50 0 HIAALO C[C@@H](c1nc2ccccc2s1)[N@@H+](C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C ZINC000058170495 558907973 /nfs/dbraw/zinc/90/79/73/558907973.db2.gz STRUPTRENLETDD-GJZGRUSLSA-N 1 2 408.527 4.053 50 0 HIAALO COc1ccc(CN2CC[NH+](Cc3ccccc3C(F)(F)F)CC2)c(OC)c1OC ZINC000019552841 558916228 /nfs/dbraw/zinc/91/62/28/558916228.db2.gz DYJIWRNDNXSRDV-UHFFFAOYSA-N 1 2 424.463 4.049 50 0 HIAALO COc1ccc(C[NH+]2CCN(Cc3ccccc3C(F)(F)F)CC2)c(OC)c1OC ZINC000019552841 558916230 /nfs/dbraw/zinc/91/62/30/558916230.db2.gz DYJIWRNDNXSRDV-UHFFFAOYSA-N 1 2 424.463 4.049 50 0 HIAALO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2cc3c(cc2Cl)OCCCO3)c1C ZINC000058616337 558928892 /nfs/dbraw/zinc/92/88/92/558928892.db2.gz CQIBBZYULGIGEF-UHFFFAOYSA-N 1 2 405.882 4.186 50 0 HIAALO O=C1CC[N@H+](Cc2c(F)ccc(F)c2F)CCN1Cc1cccc(C(F)(F)F)c1 ZINC000064120711 558962069 /nfs/dbraw/zinc/96/20/69/558962069.db2.gz VFZGQAFIVJRXEX-UHFFFAOYSA-N 1 2 416.365 4.357 50 0 HIAALO O=C1CC[N@@H+](Cc2c(F)ccc(F)c2F)CCN1Cc1cccc(C(F)(F)F)c1 ZINC000064120711 558962071 /nfs/dbraw/zinc/96/20/71/558962071.db2.gz VFZGQAFIVJRXEX-UHFFFAOYSA-N 1 2 416.365 4.357 50 0 HIAALO O=C(/C=C/c1cccs1)N(CCC[NH+]1CCOCC1)c1nc2ccccc2s1 ZINC000022997261 558982497 /nfs/dbraw/zinc/98/24/97/558982497.db2.gz ZWJXJNKOLFSIHQ-CMDGGOBGSA-N 1 2 413.568 4.127 50 0 HIAALO O=C(COc1ccc(Cl)cc1)NC[C@H](c1cccc2ccccc21)[NH+]1CCOCC1 ZINC000023106376 559010124 /nfs/dbraw/zinc/01/01/24/559010124.db2.gz LZBTVGDCEZJQRT-HSZRJFAPSA-N 1 2 424.928 4.062 50 0 HIAALO CCSc1[nH+]ccc2c1ccn2CC(=O)NCc1ccc(Br)cc1 ZINC000033298665 559048046 /nfs/dbraw/zinc/04/80/46/559048046.db2.gz QNBAOCZKFONWCW-UHFFFAOYSA-N 1 2 404.333 4.227 50 0 HIAALO COc1ccccc1NC(=O)C1=C(C)Nc2[nH+]c3ccccc3n2[C@H]1c1cccnc1 ZINC000004786761 559064214 /nfs/dbraw/zinc/06/42/14/559064214.db2.gz ZZZFERQPJQFLRU-QFIPXVFZSA-N 1 2 411.465 4.368 50 0 HIAALO Cc1cccc2cc(C(=O)N3CCC[C@@H](c4[nH+]ccn4Cc4ccncc4)C3)oc21 ZINC000095502243 559082593 /nfs/dbraw/zinc/08/25/93/559082593.db2.gz CYPVBIFUVVYLJK-HXUWFJFHSA-N 1 2 400.482 4.401 50 0 HIAALO CCCOc1c(C[NH2+]Cc2nc3ccccc3[nH]2)cc(Br)cc1OC ZINC000113397906 559180258 /nfs/dbraw/zinc/18/02/58/559180258.db2.gz INMXTOJXJPBLMY-UHFFFAOYSA-N 1 2 404.308 4.413 50 0 HIAALO O=C(NCCCn1cc[nH+]c1)c1cnn2c1nc(-c1ccccc1)cc2-c1ccccc1 ZINC000033767750 559242233 /nfs/dbraw/zinc/24/22/33/559242233.db2.gz NBFOQSFOFRNPGR-UHFFFAOYSA-N 1 2 422.492 4.080 50 0 HIAALO C[N@H+](CC(=O)Nc1cccc2c1N=S=N2)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000247992344 559258847 /nfs/dbraw/zinc/25/88/47/559258847.db2.gz LQPZRDYWHRRSER-CRAIPNDOSA-N 1 2 423.325 4.248 50 0 HIAALO C[N@@H+](CC(=O)Nc1cccc2c1N=S=N2)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000247992344 559258849 /nfs/dbraw/zinc/25/88/49/559258849.db2.gz LQPZRDYWHRRSER-CRAIPNDOSA-N 1 2 423.325 4.248 50 0 HIAALO O=C(c1sccc1-c1ccccc1)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000024135152 559267588 /nfs/dbraw/zinc/26/75/88/559267588.db2.gz ZLHKMOZZVSIFIR-UHFFFAOYSA-N 1 2 404.535 4.308 50 0 HIAALO CCn1c2ccc(N)cc2[nH+]c1-c1ccccc1NS(=O)(=O)c1ccc(C)cc1 ZINC000252500431 559278019 /nfs/dbraw/zinc/27/80/19/559278019.db2.gz SVPZOWDJNVFUEC-UHFFFAOYSA-N 1 2 406.511 4.415 50 0 HIAALO O[C@@]1(C(F)(F)F)C=C(c2ccccn2)[NH2+]N1c1nc(-c2ccc(F)cc2)cs1 ZINC000005242822 560549834 /nfs/dbraw/zinc/54/98/34/560549834.db2.gz HCAYPSYEUDIIHK-QGZVFWFLSA-N 1 2 408.380 4.210 50 0 HIAALO COc1ccccc1NC(=O)c1ccc(NC(=O)Cn2c(C)[nH+]c3ccccc32)cc1 ZINC000005627728 560634646 /nfs/dbraw/zinc/63/46/46/560634646.db2.gz JPRGFFISOYPYEA-UHFFFAOYSA-N 1 2 414.465 4.244 50 0 HIAALO CCc1[nH+]c(C2CC2)nc(N2CCN(C(=O)C3CCC3)CC2)c1Cc1ccc(F)cc1 ZINC000104470972 560851386 /nfs/dbraw/zinc/85/13/86/560851386.db2.gz BVWWBMTUIRYQLJ-UHFFFAOYSA-N 1 2 422.548 4.095 50 0 HIAALO CCCCCCNC(=O)[C@@H]1CCC[N@@H+]([C@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)C1 ZINC000106170890 560884945 /nfs/dbraw/zinc/88/49/45/560884945.db2.gz QGPIQYKLTJLTSX-NVXWUHKLSA-N 1 2 418.607 4.071 50 0 HIAALO CCCCCCNC(=O)[C@@H]1CCC[N@H+]([C@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)C1 ZINC000106170890 560884946 /nfs/dbraw/zinc/88/49/46/560884946.db2.gz QGPIQYKLTJLTSX-NVXWUHKLSA-N 1 2 418.607 4.071 50 0 HIAALO Cc1nc(C[NH+]2CCC(C(=O)Nc3ccc4nc(C5CCC5)[nH]c4c3)CC2)cs1 ZINC000111038239 560891655 /nfs/dbraw/zinc/89/16/55/560891655.db2.gz FFJZDHAEEILSBC-UHFFFAOYSA-N 1 2 409.559 4.446 50 0 HIAALO O=C1OCCN1CCC[NH+]1CCN(Cc2ccc(-c3ccccc3Cl)s2)CC1 ZINC000048289839 568435101 /nfs/dbraw/zinc/43/51/01/568435101.db2.gz YNLMYVCXAOIPSQ-UHFFFAOYSA-N 1 2 419.978 4.028 50 0 HIAALO C[C@@H](Oc1ccc(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)cn1)c1ccccc1 ZINC000048291122 568435340 /nfs/dbraw/zinc/43/53/40/568435340.db2.gz IHSSUJHHQLEMAR-GOSISDBHSA-N 1 2 402.498 4.147 50 0 HIAALO O=C(N1CC[NH+](C[C@H](O)c2cccs2)CC1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000049031355 568445944 /nfs/dbraw/zinc/44/59/44/568445944.db2.gz ICOIUHXGVVWMEO-IBGZPJMESA-N 1 2 418.990 4.091 50 0 HIAALO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)c1ccccc1C(=O)c1ccc(F)cc1 ZINC000024752388 568461211 /nfs/dbraw/zinc/46/12/11/568461211.db2.gz FZMUTIULQGHVSY-UHFFFAOYSA-N 1 2 413.452 4.232 50 0 HIAALO Cc1cc(NC(=O)c2nn(C(C)C)c(=O)c3ccccc32)c[nH+]c1N1CCCC[C@H]1C ZINC000095468408 568625162 /nfs/dbraw/zinc/62/51/62/568625162.db2.gz OWHJTRZXCBNSPZ-QGZVFWFLSA-N 1 2 419.529 4.312 50 0 HIAALO c1c(CN2CC[NH+](Cc3ccccn3)CC2)c(-c2ccccc2)nn1-c1ccccc1 ZINC000095469737 568626019 /nfs/dbraw/zinc/62/60/19/568626019.db2.gz PNGHNPRUKFKOFW-UHFFFAOYSA-N 1 2 409.537 4.252 50 0 HIAALO CCN(Cc1ccc(OC)cc1OC)C(=O)N1C[C@@H](n2cc[nH+]c2)Cc2ccccc21 ZINC000225646729 568659684 /nfs/dbraw/zinc/65/96/84/568659684.db2.gz DYHRREXLRVSXMY-FQEVSTJZSA-N 1 2 420.513 4.146 50 0 HIAALO C[C@H]1C[C@@H](C(=O)N2CC[NH+](Cc3ccc(-c4ccccc4F)s3)CC2)CCO1 ZINC000095988739 568677366 /nfs/dbraw/zinc/67/73/66/568677366.db2.gz KXNNEPSWAZNHRV-IRXDYDNUSA-N 1 2 402.535 4.014 50 0 HIAALO Cc1ccccc1S(=O)(=O)Nc1ccc(CCc2[nH+]c3ccccc3n2C)cc1 ZINC000021357402 568688368 /nfs/dbraw/zinc/68/83/68/568688368.db2.gz JKWXHJIJMOWWBF-UHFFFAOYSA-N 1 2 405.523 4.468 50 0 HIAALO CCOC(=O)/C=C\c1ccc(NC(=O)N[C@@H](c2[nH+]ccn2C)c2cccc(F)c2)cc1 ZINC000096130072 568701814 /nfs/dbraw/zinc/70/18/14/568701814.db2.gz PUITUQXXLMMDJP-ZDKIGPTLSA-N 1 2 422.460 4.047 50 0 HIAALO Cc1ccc(C)c([C@H](c2ccccc2)[NH+]2CCN(S(=O)(=O)c3ccccc3)CC2)c1 ZINC000096183797 568703052 /nfs/dbraw/zinc/70/30/52/568703052.db2.gz JOVXZAFVSQDDNZ-VWLOTQADSA-N 1 2 420.578 4.399 50 0 HIAALO Cc1nc(N2CCN(C(=O)C(C)C)CC2)c(Cc2cccc(C(F)(F)F)c2)c(C)[nH+]1 ZINC000096318399 568727310 /nfs/dbraw/zinc/72/73/10/568727310.db2.gz ZVJOLEKFXVTGGN-UHFFFAOYSA-N 1 2 420.479 4.008 50 0 HIAALO C[NH+](C)[C@H](c1nc([C@H](NC(=O)OC(C)(C)C)c2ccccc2)no1)c1ccccc1 ZINC000240626796 568730392 /nfs/dbraw/zinc/73/03/92/568730392.db2.gz HJECVIKFKKHPOP-MOPGFXCFSA-N 1 2 408.502 4.335 50 0 HIAALO Cc1ccc(Nc2cc(N3CCN(C(=O)c4ccccc4Cl)CC3)[nH+]c(C)n2)cc1 ZINC000021793944 568753146 /nfs/dbraw/zinc/75/31/46/568753146.db2.gz NRRUDNRCIUSKDG-UHFFFAOYSA-N 1 2 421.932 4.453 50 0 HIAALO CC[C@@H](C)c1ccc(NC(=O)C[NH+]2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000096791819 568764753 /nfs/dbraw/zinc/76/47/53/568764753.db2.gz NXUMENAUBDEPHX-MRXNPFEDSA-N 1 2 420.479 4.375 50 0 HIAALO COc1cc2c(cc1NC(=O)C[NH+]1CCN(c3ccccc3)CC1)oc1ccccc12 ZINC000057439435 568836819 /nfs/dbraw/zinc/83/68/19/568836819.db2.gz KFZPKEOVJKCZKW-UHFFFAOYSA-N 1 2 415.493 4.355 50 0 HIAALO COc1cccc([C@@H](NC(=O)COc2ccc(C(C)(C)C)cc2)c2[nH+]ccn2C)c1 ZINC000012525552 568842824 /nfs/dbraw/zinc/84/28/24/568842824.db2.gz NKIYVRWHRMGTQX-JOCHJYFZSA-N 1 2 407.514 4.011 50 0 HIAALO O=C(COc1ccc(Cl)cc1)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000003227895 568847467 /nfs/dbraw/zinc/84/74/67/568847467.db2.gz YWMOPHPKDPJSKB-UHFFFAOYSA-N 1 2 413.930 4.372 50 0 HIAALO O=C(COc1ccc(Cl)cc1)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000003227895 568847470 /nfs/dbraw/zinc/84/74/70/568847470.db2.gz YWMOPHPKDPJSKB-UHFFFAOYSA-N 1 2 413.930 4.372 50 0 HIAALO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(-n2cnc3ccccc32)cc1 ZINC000012547883 568850974 /nfs/dbraw/zinc/85/09/74/568850974.db2.gz BRFSTWASQKBQNG-UHFFFAOYSA-N 1 2 412.493 4.110 50 0 HIAALO CCOC(=O)c1sc2nc(C[N@H+](C)Cc3cccc(Cl)c3)nc(N)c2c1C ZINC000012555392 568855444 /nfs/dbraw/zinc/85/54/44/568855444.db2.gz REMRTCAOANDVEA-UHFFFAOYSA-N 1 2 404.923 4.044 50 0 HIAALO CCOC(=O)c1sc2nc(C[N@@H+](C)Cc3cccc(Cl)c3)nc(N)c2c1C ZINC000012555392 568855445 /nfs/dbraw/zinc/85/54/45/568855445.db2.gz REMRTCAOANDVEA-UHFFFAOYSA-N 1 2 404.923 4.044 50 0 HIAALO COc1c(Cl)cc(C(=O)N[C@H](c2[nH+]ccn2C)c2ccc(F)cc2)cc1Cl ZINC000012574855 568862422 /nfs/dbraw/zinc/86/24/22/568862422.db2.gz XVFSTLLNFGDYBY-INIZCTEOSA-N 1 2 408.260 4.394 50 0 HIAALO Cn1cc[nH+]c1[C@@H](NC(=O)COc1cc(Cl)ccc1Cl)c1cccc(F)c1 ZINC000012578706 568863399 /nfs/dbraw/zinc/86/33/99/568863399.db2.gz IAGZABLJEKMYCU-SFHVURJKSA-N 1 2 408.260 4.151 50 0 HIAALO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1ccc(C(=O)c2ccccc2)cc1 ZINC000003363836 568888710 /nfs/dbraw/zinc/88/87/10/568888710.db2.gz XTCSYYDHAUHJRG-QFIPXVFZSA-N 1 2 402.494 4.468 50 0 HIAALO Cn1cc[nH+]c1[C@@H](NC(=O)c1cc(Br)ccc1Cl)c1cccc(F)c1 ZINC000012731911 568922755 /nfs/dbraw/zinc/92/27/55/568922755.db2.gz RJIFSSBCKHUBDC-INIZCTEOSA-N 1 2 422.685 4.495 50 0 HIAALO COC(=O)c1ccc(C)c(NC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)c1 ZINC000084186102 568943944 /nfs/dbraw/zinc/94/39/44/568943944.db2.gz LFKDRSBHASHFHB-NHCUHLMSSA-N 1 2 404.470 4.028 50 0 HIAALO COc1cc(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)ccc1OC(C)C ZINC000012773730 568953004 /nfs/dbraw/zinc/95/30/04/568953004.db2.gz GORSELWOIVAANL-OAHLLOKOSA-N 1 2 403.548 4.423 50 0 HIAALO COc1cc(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)ccc1OC(C)C ZINC000012773730 568953006 /nfs/dbraw/zinc/95/30/06/568953006.db2.gz GORSELWOIVAANL-OAHLLOKOSA-N 1 2 403.548 4.423 50 0 HIAALO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)c2cn(-c3ccccc3)nc2C(C)(C)C)CC1 ZINC000084661107 568954954 /nfs/dbraw/zinc/95/49/54/568954954.db2.gz OCAOEONKWHQVRO-IBGZPJMESA-N 1 2 417.557 4.084 50 0 HIAALO Cc1cc(OCC(=O)N[C@@H](c2[nH+]ccn2C)c2ccc(Cl)cc2)ccc1Cl ZINC000008118095 568974281 /nfs/dbraw/zinc/97/42/81/568974281.db2.gz COSFKJUFQBHTGY-LJQANCHMSA-N 1 2 404.297 4.320 50 0 HIAALO Cc1cc(OCC(=O)N[C@H](c2[nH+]ccn2C)c2ccc(Cl)cc2)ccc1Cl ZINC000008118094 568974390 /nfs/dbraw/zinc/97/43/90/568974390.db2.gz COSFKJUFQBHTGY-IBGZPJMESA-N 1 2 404.297 4.320 50 0 HIAALO CCOc1ccc(C(=O)CCC(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)cc1 ZINC000008262385 568985576 /nfs/dbraw/zinc/98/55/76/568985576.db2.gz FZNRTBYYMPALIW-FQEVSTJZSA-N 1 2 402.922 4.121 50 0 HIAALO COc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000008310553 568988832 /nfs/dbraw/zinc/98/88/32/568988832.db2.gz LLAHGWCFYOBKLM-SFHVURJKSA-N 1 2 416.905 4.286 50 0 HIAALO COc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000008310553 568988836 /nfs/dbraw/zinc/98/88/36/568988836.db2.gz LLAHGWCFYOBKLM-SFHVURJKSA-N 1 2 416.905 4.286 50 0 HIAALO C[C@@H](Sc1[nH+]cnc2c1cnn2-c1ccccc1)C(=O)N1c2ccccc2C[C@H]1C ZINC000008401501 569000847 /nfs/dbraw/zinc/00/08/47/569000847.db2.gz XLYDRAREQYZAEJ-HZPDHXFCSA-N 1 2 415.522 4.274 50 0 HIAALO C[C@H](Sc1[nH+]cnc2c1cnn2-c1ccccc1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000008401516 569000871 /nfs/dbraw/zinc/00/08/71/569000871.db2.gz XLYDRAREQYZAEJ-HOTGVXAUSA-N 1 2 415.522 4.274 50 0 HIAALO COc1ccc(C[N@H+](C)Cc2csc(-c3ccc(OC)c(OC)c3)n2)c(OC)c1 ZINC000007974041 569031445 /nfs/dbraw/zinc/03/14/45/569031445.db2.gz IQTKUNFRIYDRKT-UHFFFAOYSA-N 1 2 414.527 4.477 50 0 HIAALO COc1ccc(C[N@@H+](C)Cc2csc(-c3ccc(OC)c(OC)c3)n2)c(OC)c1 ZINC000007974041 569031446 /nfs/dbraw/zinc/03/14/46/569031446.db2.gz IQTKUNFRIYDRKT-UHFFFAOYSA-N 1 2 414.527 4.477 50 0 HIAALO C[C@@H](NC(=O)C[NH+]1CCN(c2ccc(O)cc2)CC1)c1ccc(-c2ccccc2)cc1 ZINC000035338904 569033131 /nfs/dbraw/zinc/03/31/31/569033131.db2.gz SUHOJVYBPWMHIO-HXUWFJFHSA-N 1 2 415.537 4.059 50 0 HIAALO Cc1ccc(CNC(=O)C[N@H+]2CC=C(c3cnn(-c4ccc(C)c(C)c4)c3)CC2)cc1 ZINC000035403635 569035630 /nfs/dbraw/zinc/03/56/30/569035630.db2.gz UFYOIESGXWRJLD-UHFFFAOYSA-N 1 2 414.553 4.203 50 0 HIAALO Cc1ccc(CNC(=O)C[N@@H+]2CC=C(c3cnn(-c4ccc(C)c(C)c4)c3)CC2)cc1 ZINC000035403635 569035631 /nfs/dbraw/zinc/03/56/31/569035631.db2.gz UFYOIESGXWRJLD-UHFFFAOYSA-N 1 2 414.553 4.203 50 0 HIAALO CC(C)[C@H](C)NC(=O)C[N@@H+]1CCC[C@H]1c1nc(-c2cccc(C(F)(F)F)c2)c[nH]1 ZINC000242047971 569054927 /nfs/dbraw/zinc/05/49/27/569054927.db2.gz VRQZHMSFJMHLPT-KSSFIOAISA-N 1 2 408.468 4.393 50 0 HIAALO CC(C)[C@H](C)NC(=O)C[N@H+]1CCC[C@H]1c1nc(-c2cccc(C(F)(F)F)c2)c[nH]1 ZINC000242047971 569054928 /nfs/dbraw/zinc/05/49/28/569054928.db2.gz VRQZHMSFJMHLPT-KSSFIOAISA-N 1 2 408.468 4.393 50 0 HIAALO O=c1nc(N2CC[NH+](Cc3ccccc3)CC2)[nH]c2c(-c3cccc(F)c3)csc21 ZINC000064611592 569074449 /nfs/dbraw/zinc/07/44/49/569074449.db2.gz GYNNZMIUBURUCG-UHFFFAOYSA-N 1 2 420.513 4.113 50 0 HIAALO COc1cccc(C[N@@H+](Cc2ccco2)C[C@H](O)COc2ccccc2C)c1OC ZINC000036103610 569092188 /nfs/dbraw/zinc/09/21/88/569092188.db2.gz YWPOSVRZBNJCMV-FQEVSTJZSA-N 1 2 411.498 4.047 50 0 HIAALO COc1cccc(C[N@H+](Cc2ccco2)C[C@H](O)COc2ccccc2C)c1OC ZINC000036103610 569092189 /nfs/dbraw/zinc/09/21/89/569092189.db2.gz YWPOSVRZBNJCMV-FQEVSTJZSA-N 1 2 411.498 4.047 50 0 HIAALO COc1ccc(OC)c(C[N@@H+]2Cc3ccccc3C[C@H]2C(=O)N2CCCCCC2)c1 ZINC000036217814 569113259 /nfs/dbraw/zinc/11/32/59/569113259.db2.gz NNAMCCQIQZQADV-QHCPKHFHSA-N 1 2 408.542 4.033 50 0 HIAALO COc1ccc(OC)c(C[N@H+]2Cc3ccccc3C[C@H]2C(=O)N2CCCCCC2)c1 ZINC000036217814 569113261 /nfs/dbraw/zinc/11/32/61/569113261.db2.gz NNAMCCQIQZQADV-QHCPKHFHSA-N 1 2 408.542 4.033 50 0 HIAALO O=C(Nc1ccc(Cl)cc1)[C@H](C1CCCC1)[NH+]1CCN(C(=O)C2CCCC2)CC1 ZINC000036311267 569132343 /nfs/dbraw/zinc/13/23/43/569132343.db2.gz CEHBAAXQEFOVLV-NRFANRHFSA-N 1 2 417.981 4.172 50 0 HIAALO CC(C)CC(=O)N1CC[NH+]([C@@H](C(=O)Nc2ccc(C(C)C)cc2)C2CCCC2)CC1 ZINC000036311748 569133369 /nfs/dbraw/zinc/13/33/69/569133369.db2.gz JCDBMDCCJTZMEU-XMMPIXPASA-N 1 2 413.606 4.498 50 0 HIAALO CC[N@H+](CCCN1Cc2cc(Br)ccc2OCC1=O)c1ccccc1 ZINC000065184458 569191423 /nfs/dbraw/zinc/19/14/23/569191423.db2.gz GYEPTKDHSQVBFW-UHFFFAOYSA-N 1 2 403.320 4.087 50 0 HIAALO CC[N@@H+](CCCN1Cc2cc(Br)ccc2OCC1=O)c1ccccc1 ZINC000065184458 569191425 /nfs/dbraw/zinc/19/14/25/569191425.db2.gz GYEPTKDHSQVBFW-UHFFFAOYSA-N 1 2 403.320 4.087 50 0 HIAALO O=C(c1ccco1)N1CCC[C@@]2(C1)Nc1ccccc1NC2=[NH+]Cc1ccccc1 ZINC000065259909 569210968 /nfs/dbraw/zinc/21/09/68/569210968.db2.gz YCGVAQSZFDMINA-DEOSSOPVSA-N 1 2 400.482 4.200 50 0 HIAALO C[C@H](c1nnc(SCC(=O)N2CCCCCC2)n1-c1ccc(Cl)cc1)[NH+](C)C ZINC000036821305 569229472 /nfs/dbraw/zinc/22/94/72/569229472.db2.gz WHRCJRXHLYKQRE-OAHLLOKOSA-N 1 2 421.998 4.038 50 0 HIAALO CCOc1ccccc1NC(=O)[C@@H]([NH2+]Cc1cn2ccccc2n1)c1ccccc1 ZINC000009909673 569251638 /nfs/dbraw/zinc/25/16/38/569251638.db2.gz GWULXVKQVXRDEG-QHCPKHFHSA-N 1 2 400.482 4.203 50 0 HIAALO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc(COc2ccccc2)o1)c1ccc(F)cc1 ZINC000014400828 569259823 /nfs/dbraw/zinc/25/98/23/569259823.db2.gz CODPWCWLHMHIFR-OAQYLSRUSA-N 1 2 405.429 4.251 50 0 HIAALO COc1ccccc1[C@@H](NC(=O)CCn1ccc2cc(Cl)ccc21)c1[nH+]ccn1C ZINC000089761368 569263530 /nfs/dbraw/zinc/26/35/30/569263530.db2.gz RNRHTUYVMAOYEF-JOCHJYFZSA-N 1 2 422.916 4.333 50 0 HIAALO Cc1cc(N(C)C)nc(Nc2ccc(NS(=O)(=O)c3ccc(C)c(C)c3)cc2)[nH+]1 ZINC000017053127 569272594 /nfs/dbraw/zinc/27/25/94/569272594.db2.gz CRWKKVHRWPSWOR-UHFFFAOYSA-N 1 2 411.531 4.012 50 0 HIAALO Cc1cc(N2CCOCC2)nc(Nc2ccc(NC(=O)c3ccc(C)c(C)c3)cc2)[nH+]1 ZINC000017052637 569272639 /nfs/dbraw/zinc/27/26/39/569272639.db2.gz BLBITFXXERJMRJ-UHFFFAOYSA-N 1 2 417.513 4.234 50 0 HIAALO O=C(NCc1ccc(F)cc1)c1coc(C[NH+]2CCC(Cc3ccccc3)CC2)n1 ZINC000037547730 569305919 /nfs/dbraw/zinc/30/59/19/569305919.db2.gz SHRZVQMMRADTOT-UHFFFAOYSA-N 1 2 407.489 4.198 50 0 HIAALO COc1ccc(C(=O)Nc2ccc3c(c2)nc2n3CC[N@@H+](C3CCCCC3)C2)cc1 ZINC000055236068 569395423 /nfs/dbraw/zinc/39/54/23/569395423.db2.gz MIVIRHRTPOHVJM-UHFFFAOYSA-N 1 2 404.514 4.446 50 0 HIAALO COc1ccc(C(=O)Nc2ccc3c(c2)nc2n3CC[N@H+](C3CCCCC3)C2)cc1 ZINC000055236068 569395424 /nfs/dbraw/zinc/39/54/24/569395424.db2.gz MIVIRHRTPOHVJM-UHFFFAOYSA-N 1 2 404.514 4.446 50 0 HIAALO O=C(CCc1nc(-c2ccccc2)no1)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000019295560 569414631 /nfs/dbraw/zinc/41/46/31/569414631.db2.gz CFSMKAJICFBWIT-UHFFFAOYSA-N 1 2 401.470 4.384 50 0 HIAALO O=C(Nc1cc(C(F)(F)F)ccc1-n1cccn1)N[C@@H]1CCC[C@@H]1n1cc[nH+]c1 ZINC000078992977 569423109 /nfs/dbraw/zinc/42/31/09/569423109.db2.gz BYSDLYVTSCOPHK-ZBFHGGJFSA-N 1 2 404.396 4.003 50 0 HIAALO Clc1cc(Cl)cc(-c2nnc(N3CC[NH+](Cc4ccncc4)CC3)s2)c1 ZINC000078998654 569423437 /nfs/dbraw/zinc/42/34/37/569423437.db2.gz ZHGRBJQNJCWZGJ-UHFFFAOYSA-N 1 2 406.342 4.229 50 0 HIAALO C[C@@H](NC(=O)[C@H](C)[N@H+](C)CC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000008747845 571111415 /nfs/dbraw/zinc/11/14/15/571111415.db2.gz DSDICKALNCGPQG-KGLIPLIRSA-N 1 2 408.329 4.130 50 0 HIAALO C[C@@H](NC(=O)[C@H](C)[N@@H+](C)CC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000008747845 571111417 /nfs/dbraw/zinc/11/14/17/571111417.db2.gz DSDICKALNCGPQG-KGLIPLIRSA-N 1 2 408.329 4.130 50 0 HIAALO Cc1cccn2cc(COc3cccc(C(=O)Nc4nnc(C5CC5)s4)c3)[nH+]c12 ZINC000040040342 571142600 /nfs/dbraw/zinc/14/26/00/571142600.db2.gz NAAOHTUFNOXMCE-UHFFFAOYSA-N 1 2 405.483 4.203 50 0 HIAALO CCCS(=O)(=O)NC1CCN(c2cc(-c3ccccc3)c3ccccc3[nH+]2)CC1 ZINC000069443334 571228260 /nfs/dbraw/zinc/22/82/60/571228260.db2.gz NBMYMUINSBKLHF-UHFFFAOYSA-N 1 2 409.555 4.200 50 0 HIAALO O=C(CSc1[nH+]cnc2c1cnn2-c1ccc(F)cc1)N1CCCc2ccccc21 ZINC000009517629 571265219 /nfs/dbraw/zinc/26/52/19/571265219.db2.gz GACWMLAWXSDFPI-UHFFFAOYSA-N 1 2 419.485 4.026 50 0 HIAALO O=C(Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)[C@@H]1Cc2ccccc2S1 ZINC000010420989 571302197 /nfs/dbraw/zinc/30/21/97/571302197.db2.gz ORVGQCVGTKDJIW-IBGZPJMESA-N 1 2 407.564 4.357 50 0 HIAALO O=C(Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)[C@@H]1Cc2ccccc2S1 ZINC000010420989 571302198 /nfs/dbraw/zinc/30/21/98/571302198.db2.gz ORVGQCVGTKDJIW-IBGZPJMESA-N 1 2 407.564 4.357 50 0 HIAALO O=C1c2ccccc2C(=CNc2cc[nH+]cc2Cl)C(=O)N1c1ccc(Cl)cn1 ZINC000006786249 845217948 /nfs/dbraw/zinc/21/79/48/845217948.db2.gz YETZSKTUEROZBC-XNTDXEJSSA-N 1 2 411.248 4.423 50 0 HIAALO COC(=O)c1ccc(-c2nc(C[N@@H+]3CCCOc4c(cccc4OC)C3)c(C)o2)cc1 ZINC000015072957 846006551 /nfs/dbraw/zinc/00/65/51/846006551.db2.gz WPANQXWTKFZUGM-UHFFFAOYSA-N 1 2 422.481 4.230 50 0 HIAALO COC(=O)c1ccc(-c2nc(C[N@H+]3CCCOc4c(cccc4OC)C3)c(C)o2)cc1 ZINC000015072957 846006554 /nfs/dbraw/zinc/00/65/54/846006554.db2.gz WPANQXWTKFZUGM-UHFFFAOYSA-N 1 2 422.481 4.230 50 0 HIAALO O=C(NCc1ccccc1)c1nnc(/C(Cl)=C\c2ccc(-n3cc[nH+]c3)cc2)s1 ZINC000096930503 852558874 /nfs/dbraw/zinc/55/88/74/852558874.db2.gz APFZCXMBFGFABH-LDADJPATSA-N 1 2 421.913 4.391 50 0 HIAALO Cc1ccc(-c2cnc(CCC(=O)N3CC[NH+](C/C=C\c4ccccc4)CC3)o2)cc1 ZINC000096931177 852559164 /nfs/dbraw/zinc/55/91/64/852559164.db2.gz GOXXBWWDGOJOGA-YVMONPNESA-N 1 2 415.537 4.440 50 0 HIAALO O=c1c(Cl)c(N2CCC[C@@H](c3[nH]c4ccccc4[nH+]3)C2)cnn1-c1ccccc1 ZINC000009367017 132233926 /nfs/dbraw/zinc/23/39/26/132233926.db2.gz GYRMBQDCFBGCCT-OAHLLOKOSA-N 1 2 405.889 4.146 50 0 HIAALO Cc1cc(N2CCC(C)CC2)[nH+]c2ccc(NC(=O)CCC(=O)N3CCCC3)cc12 ZINC000004881625 132291507 /nfs/dbraw/zinc/29/15/07/132291507.db2.gz VYAWTVIWBYJIFN-UHFFFAOYSA-N 1 2 408.546 4.121 50 0 HIAALO Cc1cc(N2C[C@H](C)C[C@@H](C)C2)[nH+]c2ccc(NC(=O)CCC(=O)NC(C)C)cc12 ZINC000004881826 132291560 /nfs/dbraw/zinc/29/15/60/132291560.db2.gz RAELXXFNQCAQTJ-IAGOWNOFSA-N 1 2 410.562 4.269 50 0 HIAALO CC(C)(C)c1cc(N2CCN(c3cccc[nH+]3)CC2)n2ncc(-c3ccccc3)c2n1 ZINC000005669353 132307414 /nfs/dbraw/zinc/30/74/14/132307414.db2.gz ILZSHLAJMBCSQO-UHFFFAOYSA-N 1 2 412.541 4.415 50 0 HIAALO CCc1c(C)[nH+]c(-c2cccc(C)c2)nc1N1CCN(C(=O)c2ccccc2)CC1 ZINC000006837894 132318449 /nfs/dbraw/zinc/31/84/49/132318449.db2.gz CBDVBEKZHGBALN-UHFFFAOYSA-N 1 2 400.526 4.285 50 0 HIAALO CC(=O)Nc1ccc2[nH+]c(N3CCC(C(=O)Nc4ccc(F)cc4)CC3)cc(C)c2c1 ZINC000021703940 519735081 /nfs/dbraw/zinc/73/50/81/519735081.db2.gz XBQSYCFBHVBIEB-UHFFFAOYSA-N 1 2 420.488 4.496 50 0 HIAALO CCOc1cc2c3c(c1)C(C)=CC(C)(C)N3C(=O)[C@]21[NH2+]CCc2c3ccccc3[nH]c21 ZINC000019890843 520801389 /nfs/dbraw/zinc/80/13/89/520801389.db2.gz ZFDRCLHVJQNMFU-SANMLTNESA-N 1 2 413.521 4.498 50 0 HIAALO COC(=O)c1sccc1NC(=O)C[N@H+](Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000032777473 522443652 /nfs/dbraw/zinc/44/36/52/522443652.db2.gz OAWUBENMXJJZEF-UHFFFAOYSA-N 1 2 412.433 4.157 50 0 HIAALO COC(=O)c1sccc1NC(=O)C[N@@H+](Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000032777473 522443659 /nfs/dbraw/zinc/44/36/59/522443659.db2.gz OAWUBENMXJJZEF-UHFFFAOYSA-N 1 2 412.433 4.157 50 0 HIAALO Fc1ccc(-c2cc3ncnc(N4CC[NH+](Cc5cccnc5)CC4)c3s2)cc1 ZINC000032888312 526314145 /nfs/dbraw/zinc/31/41/45/526314145.db2.gz DUSVWAOWDRWBHX-UHFFFAOYSA-N 1 2 405.502 4.215 50 0 HIAALO O=C(c1ccccc1)N1CC[NH+](Cc2cn(-c3ccccc3)nc2-c2ccccc2)CC1 ZINC000023967854 526794572 /nfs/dbraw/zinc/79/45/72/526794572.db2.gz TXGGXYSWFVAUGX-UHFFFAOYSA-N 1 2 422.532 4.497 50 0 HIAALO Cn1c2ccccc2c(Br)c1C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000045079316 527109564 /nfs/dbraw/zinc/10/95/64/527109564.db2.gz RCFFJPFIURVKBT-UHFFFAOYSA-N 1 2 417.694 4.172 50 0 HIAALO O=S(=O)(c1ccc(NC2CC[NH+](Cc3ccccc3F)CC2)cc1)C(F)(F)F ZINC000058401908 527277914 /nfs/dbraw/zinc/27/79/14/527277914.db2.gz GBNFZCRNRYOVQU-UHFFFAOYSA-N 1 2 416.440 4.196 50 0 HIAALO Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000032860009 527547722 /nfs/dbraw/zinc/54/77/22/527547722.db2.gz WOTVOJVPZGWTPJ-UHFFFAOYSA-N 1 2 405.889 4.009 50 0 HIAALO O=C(NCc1ccccn1)[C@@H]1CCCN(c2[nH+]c3ccccc3n2C2CCCC2)C1 ZINC000034906716 557473967 /nfs/dbraw/zinc/47/39/67/557473967.db2.gz VIGZPRJTRCKINX-GOSISDBHSA-N 1 2 403.530 4.079 50 0 HIAALO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)c2sc3ccccc3c2Cl)CC1 ZINC000004502797 557560634 /nfs/dbraw/zinc/56/06/34/557560634.db2.gz WCSYYNPFWFYLRS-UHFFFAOYSA-N 1 2 413.930 4.195 50 0 HIAALO CCc1nc2n(n1)C(=O)C([C@@H](c1ccc(Br)cc1)[NH+]1CCCCC1)S2 ZINC000022853047 557840014 /nfs/dbraw/zinc/84/00/14/557840014.db2.gz JDWCFYFYEDCZKZ-OAHLLOKOSA-N 1 2 421.364 4.397 50 0 HIAALO CC(=O)c1cc(C[NH+]2CCC(Oc3ccc(C(=O)N4CCCC4)cc3)CC2)cs1 ZINC000011840167 558286504 /nfs/dbraw/zinc/28/65/04/558286504.db2.gz ZVQRQDBMDFXFOU-UHFFFAOYSA-N 1 2 412.555 4.230 50 0 HIAALO O=S(=O)(Cc1ccccc1)N1CC[NH+](Cc2cccc(Oc3ccccc3)c2)CC1 ZINC000019852260 558295891 /nfs/dbraw/zinc/29/58/91/558295891.db2.gz VNGFNGALMLWDBI-UHFFFAOYSA-N 1 2 422.550 4.127 50 0 HIAALO CSc1ccccc1OCc1cc(C(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)no1 ZINC000011935662 558299661 /nfs/dbraw/zinc/29/96/61/558299661.db2.gz ZECRATHLHKVHEI-IBGZPJMESA-N 1 2 414.531 4.017 50 0 HIAALO c1ccc(-c2oc3ncnc(NCC[NH+]4CCOCC4)c3c2-c2ccccc2)cc1 ZINC000019890380 558303017 /nfs/dbraw/zinc/30/30/17/558303017.db2.gz HCVIUTOAKUKQLC-UHFFFAOYSA-N 1 2 400.482 4.301 50 0 HIAALO CCCCCCc1c(O)nc(SCC[NH+](CC)CC)n(-c2ccccc2)c1=O ZINC000020102811 558332302 /nfs/dbraw/zinc/33/23/02/558332302.db2.gz IVEPTINUVAHCOB-UHFFFAOYSA-N 1 2 403.592 4.495 50 0 HIAALO S=C(NC1CCCCCC1)N(CCC[NH+]1CCOCC1)Cc1ccccc1Cl ZINC000020494959 558379891 /nfs/dbraw/zinc/37/98/91/558379891.db2.gz GFTJADRYGNIWAN-UHFFFAOYSA-N 1 2 424.054 4.462 50 0 HIAALO [NH2+]=c1n(Cc2ccccc2)c2ccccc2n1C[C@H](O)c1ccc(Br)cc1 ZINC000020828583 558417081 /nfs/dbraw/zinc/41/70/81/558417081.db2.gz GKVFNCUCFPAQMT-NRFANRHFSA-N 1 2 422.326 4.467 50 0 HIAALO COc1cc(OC)c(NC(=O)C[N@@H+](Cc2cccs2)C[C@H]2CCCO2)cc1Cl ZINC000022063533 558461146 /nfs/dbraw/zinc/46/11/46/558461146.db2.gz CMYXDHAGZPINIH-CQSZACIVSA-N 1 2 424.950 4.038 50 0 HIAALO COc1cc(OC)c(NC(=O)C[N@H+](Cc2cccs2)C[C@H]2CCCO2)cc1Cl ZINC000022063533 558461147 /nfs/dbraw/zinc/46/11/47/558461147.db2.gz CMYXDHAGZPINIH-CQSZACIVSA-N 1 2 424.950 4.038 50 0 HIAALO C[N@H+](CCOc1ccc(Cl)cc1)Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000022087518 558462968 /nfs/dbraw/zinc/46/29/68/558462968.db2.gz ZXGXNNWDCKWYLI-UHFFFAOYSA-N 1 2 415.902 4.409 50 0 HIAALO C[N@@H+](CCOc1ccc(Cl)cc1)Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000022087518 558462970 /nfs/dbraw/zinc/46/29/70/558462970.db2.gz ZXGXNNWDCKWYLI-UHFFFAOYSA-N 1 2 415.902 4.409 50 0 HIAALO O=C(Cc1ccc(-c2ccccc2)cc1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000022185703 558465340 /nfs/dbraw/zinc/46/53/40/558465340.db2.gz ZKHLXZNQRIJHFZ-UHFFFAOYSA-N 1 2 400.522 4.045 50 0 HIAALO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1c[nH]c(=S)n1-c1ccc(F)cc1 ZINC000022290206 558476543 /nfs/dbraw/zinc/47/65/43/558476543.db2.gz WUSSHTFRQFWBNN-UHFFFAOYSA-N 1 2 417.535 4.369 50 0 HIAALO Cc1cc(C(=O)Cn2c3ccccc3[nH+]c2NCCO)c(C)n1[C@H](C)c1ccccc1 ZINC000013040413 558506756 /nfs/dbraw/zinc/50/67/56/558506756.db2.gz KFQLUNIPUGQATD-GOSISDBHSA-N 1 2 416.525 4.351 50 0 HIAALO Fc1ccc(C(c2ccc(F)cc2)[NH+]2CCN(Cc3nccn3C(F)F)CC2)cc1 ZINC000022783122 558510352 /nfs/dbraw/zinc/51/03/52/558510352.db2.gz UIJOEZZMNQOMAD-UHFFFAOYSA-N 1 2 418.438 4.464 50 0 HIAALO O=C(CN1CC[NH+](Cc2ccsc2)CC1)Nc1ccccc1Oc1ccccc1 ZINC000022787061 558511288 /nfs/dbraw/zinc/51/12/88/558511288.db2.gz HAYMVAPMJDPDCI-UHFFFAOYSA-N 1 2 407.539 4.297 50 0 HIAALO Cn1c(=S)n(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)nc1-c1ccccc1 ZINC000022918153 558522119 /nfs/dbraw/zinc/52/21/19/558522119.db2.gz MEBCNHNDNNRNEK-UHFFFAOYSA-N 1 2 413.978 4.047 50 0 HIAALO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1cc2cc(Br)ccc2o1 ZINC000013629274 558552042 /nfs/dbraw/zinc/55/20/42/558552042.db2.gz XUKAWHLCQSQHHJ-UHFFFAOYSA-N 1 2 415.287 4.280 50 0 HIAALO COc1ccc(OCC[NH+]2CCN(c3nsc4ccccc43)CC2)c(Cl)c1 ZINC000013730576 558586347 /nfs/dbraw/zinc/58/63/47/558586347.db2.gz WUTHKDJBAUUVBF-UHFFFAOYSA-N 1 2 403.935 4.159 50 0 HIAALO CC[C@H](c1ccccc1)[C@@](O)(c1ccco1)c1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000024717492 558608866 /nfs/dbraw/zinc/60/88/66/558608866.db2.gz IZVIFAVBUUWIHF-AOYPEHQESA-N 1 2 421.537 4.420 50 0 HIAALO FC(F)(F)c1nc2ccccc2c(NC[C@H](c2cccs2)[NH+]2CCOCC2)n1 ZINC000014137358 558624389 /nfs/dbraw/zinc/62/43/89/558624389.db2.gz GSRHHMKZSNLKCA-OAHLLOKOSA-N 1 2 408.449 4.196 50 0 HIAALO Cn1c(Cc2ccccc2)nn(C[N@H+](C)Cc2ccc(Br)cc2)c1=S ZINC000014248215 558648930 /nfs/dbraw/zinc/64/89/30/558648930.db2.gz PFSZJTOJEQHFJM-UHFFFAOYSA-N 1 2 417.376 4.394 50 0 HIAALO Cn1c(Cc2ccccc2)nn(C[N@@H+](C)Cc2ccc(Br)cc2)c1=S ZINC000014248215 558648932 /nfs/dbraw/zinc/64/89/32/558648932.db2.gz PFSZJTOJEQHFJM-UHFFFAOYSA-N 1 2 417.376 4.394 50 0 HIAALO COc1ccc(OC)c([C@H](C)NC(=O)C[N@H+](Cc2ccco2)Cc2cccs2)c1 ZINC000014252193 558650329 /nfs/dbraw/zinc/65/03/29/558650329.db2.gz VOVFTOZOEAUAQB-INIZCTEOSA-N 1 2 414.527 4.238 50 0 HIAALO COc1ccc(OC)c([C@H](C)NC(=O)C[N@@H+](Cc2ccco2)Cc2cccs2)c1 ZINC000014252193 558650331 /nfs/dbraw/zinc/65/03/31/558650331.db2.gz VOVFTOZOEAUAQB-INIZCTEOSA-N 1 2 414.527 4.238 50 0 HIAALO CC(C)[C@H]([NH2+]Cc1nnc(C(=O)NCc2ccc(F)cc2)s1)c1cccs1 ZINC000026907953 558666830 /nfs/dbraw/zinc/66/68/30/558666830.db2.gz KTDMVXJVDDWZTP-KRWDZBQOSA-N 1 2 404.536 4.156 50 0 HIAALO Oc1ccc(C[NH+]2CCN(c3nc(-c4ccccc4)nc4c3CCC4)CC2)cc1Cl ZINC000014978240 558690226 /nfs/dbraw/zinc/69/02/26/558690226.db2.gz BGODZZARGPCYHV-UHFFFAOYSA-N 1 2 420.944 4.314 50 0 HIAALO Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000029325255 558713572 /nfs/dbraw/zinc/71/35/72/558713572.db2.gz RKFKELLIURBYKR-UHFFFAOYSA-N 1 2 405.546 4.224 50 0 HIAALO O=C(c1cc(=O)c2ccccc2o1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000015344504 558734953 /nfs/dbraw/zinc/73/49/53/558734953.db2.gz VANWVXOUKKJQKX-UHFFFAOYSA-N 1 2 424.500 4.340 50 0 HIAALO CCOC(=O)c1cc(C(C)C)sc1NC(=O)C[N@@H+]1CCC[C@H]1c1cccn1C ZINC000015521940 558742177 /nfs/dbraw/zinc/74/21/77/558742177.db2.gz VRPIGSJUZWAJKP-KRWDZBQOSA-N 1 2 403.548 4.162 50 0 HIAALO CCOC(=O)c1cc(C(C)C)sc1NC(=O)C[N@H+]1CCC[C@H]1c1cccn1C ZINC000015521940 558742178 /nfs/dbraw/zinc/74/21/78/558742178.db2.gz VRPIGSJUZWAJKP-KRWDZBQOSA-N 1 2 403.548 4.162 50 0 HIAALO O=C(Nc1cnn(Cc2cn3ccccc3[nH+]2)c1)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000072309884 558778699 /nfs/dbraw/zinc/77/86/99/558778699.db2.gz MCENDQOEYZZUTN-UHFFFAOYSA-N 1 2 418.354 4.381 50 0 HIAALO CCOc1cc(C[N@H+](Cc2nnc(-c3ccco3)o2)C2CC2)ccc1OC(F)F ZINC000016419289 558790380 /nfs/dbraw/zinc/79/03/80/558790380.db2.gz HONXOKIIIRFQGQ-UHFFFAOYSA-N 1 2 405.401 4.494 50 0 HIAALO CCOc1cc(C[N@@H+](Cc2nnc(-c3ccco3)o2)C2CC2)ccc1OC(F)F ZINC000016419289 558790383 /nfs/dbraw/zinc/79/03/83/558790383.db2.gz HONXOKIIIRFQGQ-UHFFFAOYSA-N 1 2 405.401 4.494 50 0 HIAALO COc1ccc([C@H](NC(=O)c2cc(SC)ccc2Cl)c2[nH+]ccn2C)cc1 ZINC000016472817 558793177 /nfs/dbraw/zinc/79/31/77/558793177.db2.gz PACLAJDWPOPUCE-SFHVURJKSA-N 1 2 401.919 4.323 50 0 HIAALO COC(OC)[C@@H](C)NC1=[NH+]c2ccc(Cl)cc2C(c2ccccc2Cl)=NC1 ZINC000039270880 558820056 /nfs/dbraw/zinc/82/00/56/558820056.db2.gz JYBQKLAFXNKION-GFCCVEGCSA-N 1 2 406.313 4.471 50 0 HIAALO CCOc1ccc(CNC(=O)[C@@H]2CCCN(c3[nH]c4ccc(Cl)cc4[nH+]3)C2)cc1 ZINC000033071581 558866487 /nfs/dbraw/zinc/86/64/87/558866487.db2.gz OLCSECUYHBJKGL-MRXNPFEDSA-N 1 2 412.921 4.148 50 0 HIAALO COc1cccc(OC)c1C[N@@H+]1CCOc2ccc([C@H](O)Cc3ccccc3)cc2C1 ZINC000055100284 558872590 /nfs/dbraw/zinc/87/25/90/558872590.db2.gz DXVDIAXYHIWCGX-HSZRJFAPSA-N 1 2 419.521 4.375 50 0 HIAALO COc1cccc(OC)c1C[N@H+]1CCOc2ccc([C@H](O)Cc3ccccc3)cc2C1 ZINC000055100284 558872594 /nfs/dbraw/zinc/87/25/94/558872594.db2.gz DXVDIAXYHIWCGX-HSZRJFAPSA-N 1 2 419.521 4.375 50 0 HIAALO CCc1ncc(C[N@@H+]2CCCC[C@H]2C(=O)Nc2ccc(Oc3ccccc3)nc2)cn1 ZINC000055281923 558878444 /nfs/dbraw/zinc/87/84/44/558878444.db2.gz PVQFUXOEVVUBGN-NRFANRHFSA-N 1 2 417.513 4.220 50 0 HIAALO CCc1ncc(C[N@H+]2CCCC[C@H]2C(=O)Nc2ccc(Oc3ccccc3)nc2)cn1 ZINC000055281923 558878445 /nfs/dbraw/zinc/87/84/45/558878445.db2.gz PVQFUXOEVVUBGN-NRFANRHFSA-N 1 2 417.513 4.220 50 0 HIAALO COc1ccc(C[N@@H+]2CCc3nc(SCc4ccc(C)cc4)[nH]c(=O)c3C2)cc1 ZINC000033141656 558893318 /nfs/dbraw/zinc/89/33/18/558893318.db2.gz DHNNRUKERQQREG-UHFFFAOYSA-N 1 2 407.539 4.350 50 0 HIAALO CC1=C(C(=O)N(C)C)[C@@H](c2ccc(Br)cc2)n2c3ccccc3[nH+]c2N1 ZINC000004684707 558895296 /nfs/dbraw/zinc/89/52/96/558895296.db2.gz OJXOJPLZVWLFSM-GOSISDBHSA-N 1 2 411.303 4.176 50 0 HIAALO C[NH+](C)Cc1nc2ccccc2c(=O)n1Cc1nc(-c2ccc(Cl)s2)cs1 ZINC000058450143 558927972 /nfs/dbraw/zinc/92/79/72/558927972.db2.gz RMKGKNKKZMNLPX-UHFFFAOYSA-N 1 2 416.959 4.345 50 0 HIAALO CCCCNC(=O)c1ccc2cc[nH+]c(N3CCN(c4ccccc4F)CC3)c2c1 ZINC000064667895 558965035 /nfs/dbraw/zinc/96/50/35/558965035.db2.gz OVJYVXPFOBANHZ-UHFFFAOYSA-N 1 2 406.505 4.230 50 0 HIAALO Cc1ccc(Nc2nc(N3CCN(C(=O)Nc4ccccc4F)CC3)cc(C)[nH+]2)cc1 ZINC000065361818 558972526 /nfs/dbraw/zinc/97/25/26/558972526.db2.gz BKRSCJFKKAKSBR-UHFFFAOYSA-N 1 2 420.492 4.330 50 0 HIAALO COc1cccc(C(=O)N2CC[NH+]([C@H](c3ccccc3)c3ccc(F)cc3)CC2)c1 ZINC000023318622 559125631 /nfs/dbraw/zinc/12/56/31/559125631.db2.gz KVHADDKXCWHRBH-XMMPIXPASA-N 1 2 404.485 4.382 50 0 HIAALO O=C(c1ccc(Cl)cc1Cl)N1CCN(c2[nH+]ccn2-c2ccccc2F)CC1 ZINC000011695690 559188936 /nfs/dbraw/zinc/18/89/36/559188936.db2.gz XIWYOOQELUITSS-UHFFFAOYSA-N 1 2 419.287 4.281 50 0 HIAALO O=C(c1c(F)cccc1Cl)N1CCN(c2[nH+]ccn2-c2cccc(Cl)c2)CC1 ZINC000011695712 559188954 /nfs/dbraw/zinc/18/89/54/559188954.db2.gz QEAVJUDLGLUHLJ-UHFFFAOYSA-N 1 2 419.287 4.281 50 0 HIAALO Cc1cc(C)cc(NC(=O)CSc2[nH+]cnc3c2cnn3Cc2ccccc2)c1 ZINC000005500024 560598386 /nfs/dbraw/zinc/59/83/86/560598386.db2.gz DDWOGPZNWSHWSB-UHFFFAOYSA-N 1 2 403.511 4.222 50 0 HIAALO Cc1cc(C)n(-c2ccc(C(=O)Nc3ccccc3-c3cn4cccc(C)c4[nH+]3)nn2)n1 ZINC000206902377 560749159 /nfs/dbraw/zinc/74/91/59/560749159.db2.gz ROBSOBSAAIUEEM-UHFFFAOYSA-N 1 2 423.480 4.155 50 0 HIAALO C[NH+](C)[C@H](CNC(=O)CCc1nc2ccccc2s1)c1c(F)cccc1Cl ZINC000018019050 560768670 /nfs/dbraw/zinc/76/86/70/560768670.db2.gz ZWIXARCRVIWTCQ-MRXNPFEDSA-N 1 2 405.926 4.441 50 0 HIAALO C[C@H](c1nc2ccccc2s1)[N@H+](C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C ZINC000103272371 560840678 /nfs/dbraw/zinc/84/06/78/560840678.db2.gz STRUPTRENLETDD-LSDHHAIUSA-N 1 2 408.527 4.053 50 0 HIAALO C[C@H](c1nc2ccccc2s1)[N@@H+](C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C ZINC000103272371 560840679 /nfs/dbraw/zinc/84/06/79/560840679.db2.gz STRUPTRENLETDD-LSDHHAIUSA-N 1 2 408.527 4.053 50 0 HIAALO C[N@@H+]1C[C@H](c2ccc(F)cc2)[C@@H](C(=O)c2ccccc2)[C@@]12C(=O)Nc1ccc(F)cc12 ZINC000106022308 560878181 /nfs/dbraw/zinc/87/81/81/560878181.db2.gz CTFNOKWXZQKDNU-WPWBMXPQSA-N 1 2 418.443 4.341 50 0 HIAALO 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COc1ccc(C)cc1NC(=O)CCC1CCN(c2cc(NC3CC3)nc[nH+]2)CC1 ZINC000065274125 569214808 /nfs/dbraw/zinc/21/48/08/569214808.db2.gz UVFRRMNPVTYDPR-UHFFFAOYSA-N 1 2 409.534 4.003 50 0 HIAALO CCOc1ccc(NC(=O)CCC2CCN(c3cc(NC4CC4)[nH+]cn3)CC2)cc1 ZINC000065274293 569215149 /nfs/dbraw/zinc/21/51/49/569215149.db2.gz BLPBJDNCIVGYKZ-UHFFFAOYSA-N 1 2 409.534 4.085 50 0 HIAALO CCOc1ccc(NC(=O)CCC2CCN(c3cc(NC4CC4)nc[nH+]3)CC2)cc1 ZINC000065274293 569215150 /nfs/dbraw/zinc/21/51/50/569215150.db2.gz BLPBJDNCIVGYKZ-UHFFFAOYSA-N 1 2 409.534 4.085 50 0 HIAALO Fc1ccc(-n2ncc3c2nc[nH+]c3SCc2nc(-c3ccccc3)no2)cc1 ZINC000013295722 569254725 /nfs/dbraw/zinc/25/47/25/569254725.db2.gz WQIRWJMDLSUBDG-UHFFFAOYSA-N 1 2 404.430 4.297 50 0 HIAALO Cc1cc(N(C)C)nc(Nc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)[nH+]1 ZINC000017013718 569271771 /nfs/dbraw/zinc/27/17/71/569271771.db2.gz DHEBXYKSVIVRCF-UHFFFAOYSA-N 1 2 417.922 4.049 50 0 HIAALO CC(=O)Nc1cccc2c1CC[N@H+](Cc1c(C)nn(Cc3ccccc3)c1Cl)C2 ZINC000054394193 569277745 /nfs/dbraw/zinc/27/77/45/569277745.db2.gz JZJQFSZLOLVYLC-UHFFFAOYSA-N 1 2 408.933 4.410 50 0 HIAALO CC(=O)Nc1cccc2c1CC[N@@H+](Cc1c(C)nn(Cc3ccccc3)c1Cl)C2 ZINC000054394193 569277746 /nfs/dbraw/zinc/27/77/46/569277746.db2.gz JZJQFSZLOLVYLC-UHFFFAOYSA-N 1 2 408.933 4.410 50 0 HIAALO Cc1cc(N2CCN(C(=O)CCc3ccc(C)c(Cl)c3)CC2)nc(C(C)C)[nH+]1 ZINC000027161763 569284844 /nfs/dbraw/zinc/28/48/44/569284844.db2.gz XPSWIRULCZMPMI-UHFFFAOYSA-N 1 2 400.954 4.152 50 0 HIAALO Cn1c(=S)n(C[N@H+](C)[C@H]2CCCc3ccccc32)nc1[C@H]1COc2ccccc2O1 ZINC000252457425 569286484 /nfs/dbraw/zinc/28/64/84/569286484.db2.gz HXUQNQNSBWEKRE-GHTZIAJQSA-N 1 2 422.554 4.430 50 0 HIAALO Cn1c(=S)n(C[N@@H+](C)[C@H]2CCCc3ccccc32)nc1[C@H]1COc2ccccc2O1 ZINC000252457425 569286486 /nfs/dbraw/zinc/28/64/86/569286486.db2.gz HXUQNQNSBWEKRE-GHTZIAJQSA-N 1 2 422.554 4.430 50 0 HIAALO CCOc1ccc(NC(=O)c2ccccc2NC(=O)C[N@H+](C)Cc2ccsc2)cc1 ZINC000007927081 569327493 /nfs/dbraw/zinc/32/74/93/569327493.db2.gz NPRKIWCAUQEKSA-UHFFFAOYSA-N 1 2 423.538 4.470 50 0 HIAALO CCOc1ccc(NC(=O)c2ccccc2NC(=O)C[N@@H+](C)Cc2ccsc2)cc1 ZINC000007927081 569327495 /nfs/dbraw/zinc/32/74/95/569327495.db2.gz NPRKIWCAUQEKSA-UHFFFAOYSA-N 1 2 423.538 4.470 50 0 HIAALO Cc1ccc(-n2ncc3c2nc[nH+]c3N2CCN(c3ccccc3Cl)CC2)c(C)c1 ZINC000002378284 569389746 /nfs/dbraw/zinc/38/97/46/569389746.db2.gz FOVMFBJTFIRJCG-UHFFFAOYSA-N 1 2 418.932 4.412 50 0 HIAALO Cc1cccc(-c2nc(S(=O)(=O)c3ccccc3)c(NCCCn3cc[nH+]c3)o2)c1 ZINC000012419307 569401110 /nfs/dbraw/zinc/40/11/10/569401110.db2.gz MRVVQEZZWQXQBH-UHFFFAOYSA-N 1 2 422.510 4.182 50 0 HIAALO CC[NH+](CC)Cc1nc(C2(NCc3ccc(OC(F)(F)F)cc3)CCCC2)no1 ZINC000078823063 569420852 /nfs/dbraw/zinc/42/08/52/569420852.db2.gz PXMPLMDYALAFHX-UHFFFAOYSA-N 1 2 412.456 4.369 50 0 HIAALO CNC(=O)c1ccc(C[N@H+](C)[C@@H](c2nc(-c3ccccc3)no2)c2ccccc2)cc1 ZINC000079023339 569424392 /nfs/dbraw/zinc/42/43/92/569424392.db2.gz LRLQRQMRRJVIPV-JOCHJYFZSA-N 1 2 412.493 4.318 50 0 HIAALO CNC(=O)c1ccc(C[N@@H+](C)[C@@H](c2nc(-c3ccccc3)no2)c2ccccc2)cc1 ZINC000079023339 569424393 /nfs/dbraw/zinc/42/43/93/569424393.db2.gz LRLQRQMRRJVIPV-JOCHJYFZSA-N 1 2 412.493 4.318 50 0 HIAALO Cc1c(C(=O)N[C@@H](Cn2c[nH+]c3cc(C)c(C)cc32)C2CC2)oc2c1C(=O)CCC2 ZINC000079045613 569425226 /nfs/dbraw/zinc/42/52/26/569425226.db2.gz YGNKWNYARWKKAQ-SFHVURJKSA-N 1 2 405.498 4.282 50 0 HIAALO O=C(Nc1nc(-c2cccnc2)cs1)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000079075899 569426943 /nfs/dbraw/zinc/42/69/43/569426943.db2.gz VNGXXIGUIIFONF-PMACEKPBSA-N 1 2 416.510 4.452 50 0 HIAALO C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NCC1CCC(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000038671656 571060582 /nfs/dbraw/zinc/06/05/82/571060582.db2.gz XRUANUHFTXMMAE-QZAYUKAYSA-N 1 2 405.498 4.181 50 0 HIAALO O=C(c1c[nH+]c2ccc(F)cc2c1N1CCN(c2ccc(F)cc2)CC1)N1CCCC1 ZINC000067287992 571065516 /nfs/dbraw/zinc/06/55/16/571065516.db2.gz OFNBUIKQPBEGLS-UHFFFAOYSA-N 1 2 422.479 4.076 50 0 HIAALO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000040067994 571148608 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HWXKOLYNZYTCBC-KRWDZBQOSA-N 1 2 413.449 4.239 50 0 HIAALO COc1ccc(-c2noc(C[N@@H+]3CCC[C@@H]3c3ccc(F)cc3)n2)c(OC)c1OC ZINC000012595344 845878519 /nfs/dbraw/zinc/87/85/19/845878519.db2.gz HWXKOLYNZYTCBC-QGZVFWFLSA-N 1 2 413.449 4.239 50 0 HIAALO COc1ccc(-c2noc(C[N@H+]3CCC[C@@H]3c3ccc(F)cc3)n2)c(OC)c1OC ZINC000012595344 845878523 /nfs/dbraw/zinc/87/85/23/845878523.db2.gz HWXKOLYNZYTCBC-QGZVFWFLSA-N 1 2 413.449 4.239 50 0 HIAALO CCOc1ccccc1-c1nc(CN2CC[NH+](Cc3ncccc3C)CC2)c(C)o1 ZINC000020916158 846395016 /nfs/dbraw/zinc/39/50/16/846395016.db2.gz SNXUMHVEEWSSNO-UHFFFAOYSA-N 1 2 406.530 4.070 50 0 HIAALO C[C@H](NC(=O)CN1CC[NH+](C/C=C/c2ccccc2)CC1)c1cccc2ccccc21 ZINC000022777896 846619466 /nfs/dbraw/zinc/61/94/66/846619466.db2.gz HSUGOZNKBAQYIB-NJTIBFSMSA-N 1 2 413.565 4.348 50 0 HIAALO Cn1cc(C[N@@H+]2CCC[C@@H]2c2ccc(C(=O)Nc3cccc(F)c3F)s2)cn1 ZINC000023250597 846675835 /nfs/dbraw/zinc/67/58/35/846675835.db2.gz VXPFLDAUCJGDCU-MRXNPFEDSA-N 1 2 402.470 4.349 50 0 HIAALO 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132314459 /nfs/dbraw/zinc/31/44/59/132314459.db2.gz CGTADLCQUBPUGG-QFIPXVFZSA-N 1 2 418.516 4.434 50 0 HIAALO Cc1cccc(N2CC[N@@H+](CC(=O)Nc3ccc(SC(F)F)cc3)C[C@H]2C)c1 ZINC000012546917 132362963 /nfs/dbraw/zinc/36/29/63/132362963.db2.gz HKIUXPHTFMXBAP-MRXNPFEDSA-N 1 2 405.514 4.459 50 0 HIAALO Cc1cccc(N2CC[N@H+](CC(=O)Nc3ccc(SC(F)F)cc3)C[C@H]2C)c1 ZINC000012546917 132362964 /nfs/dbraw/zinc/36/29/64/132362964.db2.gz HKIUXPHTFMXBAP-MRXNPFEDSA-N 1 2 405.514 4.459 50 0 HIAALO Cc1cccc(N2CCN(c3[nH+]cnc4c3cnn4-c3ccc(Cl)cc3)C[C@H]2C)c1 ZINC000012620374 132365322 /nfs/dbraw/zinc/36/53/22/132365322.db2.gz PEXQKKUVNKCJOL-QGZVFWFLSA-N 1 2 418.932 4.492 50 0 HIAALO Cc1cc(N2CCN([C@H](C)C(=O)Nc3cccc(Cl)c3C)CC2)nc(C(C)C)[nH+]1 ZINC000012778148 132367075 /nfs/dbraw/zinc/36/70/75/132367075.db2.gz MKTCGESTTXVVAL-QGZVFWFLSA-N 1 2 415.969 4.019 50 0 HIAALO Cc1ccc(S(=O)(=O)N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)cc1 ZINC000019797834 525541256 /nfs/dbraw/zinc/54/12/56/525541256.db2.gz CLXYVFADAKOEIB-UHFFFAOYSA-N 1 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O=S(=O)(N[C@H]1c2cccc3cccc(c23)[C@H]1[NH2+]Cc1ccco1)c1ccccc1 ZINC000019811146 558286845 /nfs/dbraw/zinc/28/68/45/558286845.db2.gz KBCAJOAJIJDKQO-PKTZIBPZSA-N 1 2 404.491 4.297 50 0 HIAALO O=C(Nc1ccccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC000019857362 558296541 /nfs/dbraw/zinc/29/65/41/558296541.db2.gz XUZSDSXKSSGVBL-UHFFFAOYSA-N 1 2 417.484 4.036 50 0 HIAALO C[N@@H+]1CCc2nc3sc(C(=O)Nc4ccccc4OC(F)(F)F)c(N)c3cc2C1 ZINC000019873556 558299725 /nfs/dbraw/zinc/29/97/25/558299725.db2.gz LOVVNVGMHOVKDK-UHFFFAOYSA-N 1 2 422.432 4.017 50 0 HIAALO C[N@H+]1CCc2nc3sc(C(=O)Nc4ccccc4OC(F)(F)F)c(N)c3cc2C1 ZINC000019873556 558299730 /nfs/dbraw/zinc/29/97/30/558299730.db2.gz LOVVNVGMHOVKDK-UHFFFAOYSA-N 1 2 422.432 4.017 50 0 HIAALO O=c1nc(CNc2ccc(F)cc2)[nH]c2sc3c(c21)CC[N@H+](Cc1ccccc1)C3 ZINC000019926510 558307762 /nfs/dbraw/zinc/30/77/62/558307762.db2.gz PZYUKYXMFQJBSD-UHFFFAOYSA-N 1 2 420.513 4.294 50 0 HIAALO O=c1nc(CNc2ccc(F)cc2)[nH]c2sc3c(c21)CC[N@@H+](Cc1ccccc1)C3 ZINC000019926510 558307764 /nfs/dbraw/zinc/30/77/64/558307764.db2.gz PZYUKYXMFQJBSD-UHFFFAOYSA-N 1 2 420.513 4.294 50 0 HIAALO O=C(COc1ccccc1)N1CC[NH+](Cc2cccc(Oc3ccccc3)c2)CC1 ZINC000020169629 558343420 /nfs/dbraw/zinc/34/34/20/558343420.db2.gz VMMWWFGDCYWZJX-UHFFFAOYSA-N 1 2 402.494 4.202 50 0 HIAALO Cc1ccc(C2(c3noc(C[N@@H+]4CCC[C@H](CN5CCCC5=O)C4)n3)CCCC2)cc1 ZINC000012386976 558395779 /nfs/dbraw/zinc/39/57/79/558395779.db2.gz PRVUFCHCUKPPPA-FQEVSTJZSA-N 1 2 422.573 4.073 50 0 HIAALO Cc1ccc(C2(c3noc(C[N@H+]4CCC[C@H](CN5CCCC5=O)C4)n3)CCCC2)cc1 ZINC000012386976 558395783 /nfs/dbraw/zinc/39/57/83/558395783.db2.gz PRVUFCHCUKPPPA-FQEVSTJZSA-N 1 2 422.573 4.073 50 0 HIAALO Cc1nc(C)c(C[N@@H+]2CCC[C@@H]2C(=O)Nc2ccc(-c3cscn3)cc2)nc1C ZINC000012432143 558406530 /nfs/dbraw/zinc/40/65/30/558406530.db2.gz NNLFUFAJVFNOBP-OAQYLSRUSA-N 1 2 407.543 4.128 50 0 HIAALO Cc1nc(C)c(C[N@H+]2CCC[C@@H]2C(=O)Nc2ccc(-c3cscn3)cc2)nc1C ZINC000012432143 558406534 /nfs/dbraw/zinc/40/65/34/558406534.db2.gz NNLFUFAJVFNOBP-OAQYLSRUSA-N 1 2 407.543 4.128 50 0 HIAALO COc1cc(-c2n[nH]cc2C[N@H+](C)[C@@H](C)c2nc(C)sc2C)cc(OC)c1OC ZINC000012438263 558409701 /nfs/dbraw/zinc/40/97/01/558409701.db2.gz OPMAENZFEATTLC-LBPRGKRZSA-N 1 2 416.547 4.369 50 0 HIAALO COc1cc(-c2n[nH]cc2C[N@@H+](C)[C@@H](C)c2nc(C)sc2C)cc(OC)c1OC ZINC000012438263 558409702 /nfs/dbraw/zinc/40/97/02/558409702.db2.gz OPMAENZFEATTLC-LBPRGKRZSA-N 1 2 416.547 4.369 50 0 HIAALO COc1cccc(-c2nc(C[N@@H+]3CCC[C@H](C(=O)c4cccnc4)C3)c(C)o2)c1OC ZINC000020820893 558416870 /nfs/dbraw/zinc/41/68/70/558416870.db2.gz QRHQZKVDIOUJJK-SFHVURJKSA-N 1 2 421.497 4.157 50 0 HIAALO COc1cccc(-c2nc(C[N@H+]3CCC[C@H](C(=O)c4cccnc4)C3)c(C)o2)c1OC ZINC000020820893 558416878 /nfs/dbraw/zinc/41/68/78/558416878.db2.gz QRHQZKVDIOUJJK-SFHVURJKSA-N 1 2 421.497 4.157 50 0 HIAALO Cc1ccc(C)c(NC(=O)CSc2[nH+]cnc3c2cnn3-c2ccc(F)cc2)c1 ZINC000004341524 558424995 /nfs/dbraw/zinc/42/49/95/558424995.db2.gz QVLORRDTWPJSRO-UHFFFAOYSA-N 1 2 407.474 4.302 50 0 HIAALO COC(=O)c1ccc(CSc2[nH+]cnc3c2cnn3-c2ccc(Cl)cc2)o1 ZINC000004341666 558425242 /nfs/dbraw/zinc/42/52/42/558425242.db2.gz INVWWUZVNYRUOM-UHFFFAOYSA-N 1 2 400.847 4.141 50 0 HIAALO COc1cccc([C@H]2c3[nH]c4ccccc4c3CC[N@H+]2CCCn2cccn2)c1OC ZINC000012712033 558453051 /nfs/dbraw/zinc/45/30/51/558453051.db2.gz IEMIVPZAFVXEHJ-DEOSSOPVSA-N 1 2 416.525 4.419 50 0 HIAALO COc1cccc([C@H]2c3[nH]c4ccccc4c3CC[N@@H+]2CCCn2cccn2)c1OC ZINC000012712033 558453054 /nfs/dbraw/zinc/45/30/54/558453054.db2.gz IEMIVPZAFVXEHJ-DEOSSOPVSA-N 1 2 416.525 4.419 50 0 HIAALO O=C(C[NH+]1CCC(C(=O)N2CCCCCC2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000012985062 558495015 /nfs/dbraw/zinc/49/50/15/558495015.db2.gz SJZYHSBPJUMQGY-UHFFFAOYSA-N 1 2 412.361 4.047 50 0 HIAALO C[C@H]1CC(=O)Nc2ccccc2N1C(=O)C[N@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000012992210 558496772 /nfs/dbraw/zinc/49/67/72/558496772.db2.gz NTHUWWPTPWTDOT-ZDUSSCGKSA-N 1 2 406.313 4.189 50 0 HIAALO C[C@H]1CC(=O)Nc2ccccc2N1C(=O)C[N@@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000012992210 558496775 /nfs/dbraw/zinc/49/67/75/558496775.db2.gz NTHUWWPTPWTDOT-ZDUSSCGKSA-N 1 2 406.313 4.189 50 0 HIAALO C[C@H](c1nnc(SCC(=O)N2CCCC[C@H]2C)n1-c1ccc(Cl)cc1)[NH+](C)C ZINC000022612572 558502266 /nfs/dbraw/zinc/50/22/66/558502266.db2.gz HPCQERUUNKUMKV-HUUCEWRRSA-N 1 2 421.998 4.036 50 0 HIAALO CCCc1ccc([C@H](C)NC(=O)CN2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1 ZINC000022751901 558507373 /nfs/dbraw/zinc/50/73/73/558507373.db2.gz YMWRTYBRTIOGPL-IBGZPJMESA-N 1 2 413.993 4.288 50 0 HIAALO CCCc1ccc([C@H](C)NC(=O)C[NH+]2CCN(Cc3cccc(Cl)c3)CC2)cc1 ZINC000022751901 558507377 /nfs/dbraw/zinc/50/73/77/558507377.db2.gz YMWRTYBRTIOGPL-IBGZPJMESA-N 1 2 413.993 4.288 50 0 HIAALO O=C(CN1CC[NH+](Cc2ccsc2)CC1)Nc1ccccc1Cc1ccccc1 ZINC000022800002 558512940 /nfs/dbraw/zinc/51/29/40/558512940.db2.gz ZAKHYNWFAGZKEN-UHFFFAOYSA-N 1 2 405.567 4.095 50 0 HIAALO Cc1ccccc1-n1cnn(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1=S ZINC000022918142 558522246 /nfs/dbraw/zinc/52/22/46/558522246.db2.gz CJSKKUSZAHYHSR-UHFFFAOYSA-N 1 2 413.978 4.140 50 0 HIAALO O=C(C[NH+]1CCN(Cc2ccc(Cl)cc2Cl)CC1)NCCC1=CCCCC1 ZINC000022923243 558522695 /nfs/dbraw/zinc/52/26/95/558522695.db2.gz YHMRMJMZTUQKGI-UHFFFAOYSA-N 1 2 410.389 4.118 50 0 HIAALO CC1=C[C@@](O)(C(F)(F)Cl)N(c2nc(-c3cccs3)cc(C(F)(F)F)n2)[NH2+]1 ZINC000013642992 558556027 /nfs/dbraw/zinc/55/60/27/558556027.db2.gz AIYVMNIAMQUSJA-GFCCVEGCSA-N 1 2 412.771 4.330 50 0 HIAALO Cc1ccc(N2CCN(c3[nH+]cnc4c3cnn4-c3ccc(C)cc3C)C[C@H]2C)cc1 ZINC000013646513 558556748 /nfs/dbraw/zinc/55/67/48/558556748.db2.gz XRIHYFHRBJCPID-HXUWFJFHSA-N 1 2 412.541 4.456 50 0 HIAALO O=C(NCc1ccccc1C[NH+]1CCOCC1)c1ccccc1OCc1ccccc1 ZINC000023873293 558579172 /nfs/dbraw/zinc/57/91/72/558579172.db2.gz NZXLWXMJQRXUFC-UHFFFAOYSA-N 1 2 416.521 4.028 50 0 HIAALO O=C(c1ccccc1SCc1cccs1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000023873365 558579412 /nfs/dbraw/zinc/57/94/12/558579412.db2.gz KXRXGHHSJOTPJC-UHFFFAOYSA-N 1 2 409.580 4.393 50 0 HIAALO COc1ccc(C[N@H+](C)[C@H](C)c2nc(=O)c3c4c(sc3[nH]2)C[C@@H](C)CC4)cc1F ZINC000024072094 558587676 /nfs/dbraw/zinc/58/76/76/558587676.db2.gz USQGLMMIWNGYFN-QWHCGFSZSA-N 1 2 415.534 4.450 50 0 HIAALO COc1ccc(C[N@@H+](C)[C@H](C)c2nc(=O)c3c4c(sc3[nH]2)C[C@@H](C)CC4)cc1F ZINC000024072094 558587678 /nfs/dbraw/zinc/58/76/78/558587678.db2.gz USQGLMMIWNGYFN-QWHCGFSZSA-N 1 2 415.534 4.450 50 0 HIAALO COc1ccc2cc(C(=O)N3CC[NH+](Cc4ccc(Cl)cc4)CC3)c(C)nc2c1 ZINC000024989143 558625713 /nfs/dbraw/zinc/62/57/13/558625713.db2.gz YPONJBLYAAWZOA-UHFFFAOYSA-N 1 2 409.917 4.163 50 0 HIAALO COc1ccc([C@@H]2C[NH2+][C@]3(c4ccccc4N(C)C3=O)c3[nH]c4ccccc4c32)cc1 ZINC000025514143 558642355 /nfs/dbraw/zinc/64/23/55/558642355.db2.gz ZNKITLCLKOQVOO-AFMDSPMNSA-N 1 2 409.489 4.132 50 0 HIAALO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)c1cc(-c2ccco2)nn1-c1ccccc1 ZINC000025643664 558646724 /nfs/dbraw/zinc/64/67/24/558646724.db2.gz YIXWDEBQMLWMAI-UHFFFAOYSA-N 1 2 423.476 4.307 50 0 HIAALO O=C(Nc1cc(Cl)ccc1Cl)[C@H]1CCC[N@@H+]1CCn1c(=O)oc2ccccc21 ZINC000026605031 558663609 /nfs/dbraw/zinc/66/36/09/558663609.db2.gz AXTQXTFZMHOIKU-QGZVFWFLSA-N 1 2 420.296 4.004 50 0 HIAALO O=C(Nc1cc(Cl)ccc1Cl)[C@H]1CCC[N@H+]1CCn1c(=O)oc2ccccc21 ZINC000026605031 558663611 /nfs/dbraw/zinc/66/36/11/558663611.db2.gz AXTQXTFZMHOIKU-QGZVFWFLSA-N 1 2 420.296 4.004 50 0 HIAALO Cc1ccc2oc(C(=O)NC[C@H](c3ccccc3Cl)[NH+]3CCCC3)cc(=O)c2c1 ZINC000027344453 558672323 /nfs/dbraw/zinc/67/23/23/558672323.db2.gz VIPNNTAMXPZMSY-LJQANCHMSA-N 1 2 410.901 4.322 50 0 HIAALO O=C(c1ccccc1)C1CC[NH+](Cc2cc3c(cc2Br)OCCO3)CC1 ZINC000014813970 558674171 /nfs/dbraw/zinc/67/41/71/558674171.db2.gz WPOJVADPOHTMQY-UHFFFAOYSA-N 1 2 416.315 4.315 50 0 HIAALO COc1cc(-c2nc(C[NH+]3CCN(c4ccc(Cl)cn4)CC3)c(C)o2)ccc1F ZINC000014966411 558685904 /nfs/dbraw/zinc/68/59/04/558685904.db2.gz BIPXQFBWWGHFLS-UHFFFAOYSA-N 1 2 416.884 4.168 50 0 HIAALO Cc1ccc(C[N@H+](C)Cc2nnc(SCc3ccccn3)n2C[C@@H]2CCCO2)cc1 ZINC000015000616 558697683 /nfs/dbraw/zinc/69/76/83/558697683.db2.gz OHYNNWTUIXSFCP-NRFANRHFSA-N 1 2 423.586 4.085 50 0 HIAALO Cc1ccc(C[N@@H+](C)Cc2nnc(SCc3ccccn3)n2C[C@@H]2CCCO2)cc1 ZINC000015000616 558697685 /nfs/dbraw/zinc/69/76/85/558697685.db2.gz OHYNNWTUIXSFCP-NRFANRHFSA-N 1 2 423.586 4.085 50 0 HIAALO COc1cccc([C@H](NC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)c2[nH+]ccn2C)c1 ZINC000029331862 558713689 /nfs/dbraw/zinc/71/36/89/558713689.db2.gz JAODZYBUSUECDB-HXOBKFHXSA-N 1 2 418.541 4.457 50 0 HIAALO CCN(C(=O)C[NH+]1CCN(c2cccc(Cl)c2)CC1)c1nc2ccccc2s1 ZINC000015378600 558736434 /nfs/dbraw/zinc/73/64/34/558736434.db2.gz QTDXQBCPOFSFEQ-UHFFFAOYSA-N 1 2 414.962 4.125 50 0 HIAALO Cc1cc(Cl)ccc1-n1ncc2c1nc[nH+]c2N1CCN(c2ccccc2)CC1 ZINC000015880923 558760421 /nfs/dbraw/zinc/76/04/21/558760421.db2.gz UAPWXQGAPJDDIK-UHFFFAOYSA-N 1 2 404.905 4.104 50 0 HIAALO Cc1[nH]c2ccccc2c1C(=O)[C@H](c1ccccc1)[NH+]1CCN(c2ncccn2)CC1 ZINC000035828014 558795383 /nfs/dbraw/zinc/79/53/83/558795383.db2.gz ZNJKCAANMRNLGP-QHCPKHFHSA-N 1 2 411.509 4.013 50 0 HIAALO Cc1ccc(S(=O)(=O)N2CC[NH+](Cc3ccc(C(C)(C)C)cc3)CC2)cc1C ZINC000017082068 558814081 /nfs/dbraw/zinc/81/40/81/558814081.db2.gz WOPXFZIZSURUJH-UHFFFAOYSA-N 1 2 400.588 4.107 50 0 HIAALO CCn1ncc(C[N@H+](C)CC(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)c1C ZINC000017082784 558815115 /nfs/dbraw/zinc/81/51/15/558815115.db2.gz ZLTCJYBRKJJAAO-UHFFFAOYSA-N 1 2 403.939 4.059 50 0 HIAALO CCn1ncc(C[N@@H+](C)CC(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)c1C ZINC000017082784 558815118 /nfs/dbraw/zinc/81/51/18/558815118.db2.gz ZLTCJYBRKJJAAO-UHFFFAOYSA-N 1 2 403.939 4.059 50 0 HIAALO C[C@@H](Sc1[nH+]cnc2c1cnn2-c1ccccc1)C(=O)NCCC1=CCCCC1 ZINC000004601760 558842376 /nfs/dbraw/zinc/84/23/76/558842376.db2.gz JINPSMHNAJLWBR-MRXNPFEDSA-N 1 2 407.543 4.303 50 0 HIAALO COc1ccc(-c2c(C)oc3cc(OCC[N@H+]4C[C@@H](C)O[C@@H](C)C4)ccc3c2=O)cc1 ZINC000013609136 558847371 /nfs/dbraw/zinc/84/73/71/558847371.db2.gz ZXAGQKXAORSMBV-CALCHBBNSA-N 1 2 423.509 4.265 50 0 HIAALO COc1ccc(-c2c(C)oc3cc(OCC[N@@H+]4C[C@@H](C)O[C@@H](C)C4)ccc3c2=O)cc1 ZINC000013609136 558847372 /nfs/dbraw/zinc/84/73/72/558847372.db2.gz ZXAGQKXAORSMBV-CALCHBBNSA-N 1 2 423.509 4.265 50 0 HIAALO COc1ccccc1CNc1c(C(=O)N2CCSCC2)c[nH+]c2ccc(F)cc21 ZINC000072328487 558864059 /nfs/dbraw/zinc/86/40/59/558864059.db2.gz GBHPIDNPRMPQEH-UHFFFAOYSA-N 1 2 411.502 4.184 50 0 HIAALO CCOc1ccc(CNC(=O)[C@H]2CCCN(c3[nH]c4ccc(Cl)cc4[nH+]3)C2)cc1 ZINC000033071584 558866512 /nfs/dbraw/zinc/86/65/12/558866512.db2.gz OLCSECUYHBJKGL-INIZCTEOSA-N 1 2 412.921 4.148 50 0 HIAALO Cc1nc(-c2ccc(F)cc2)sc1-c1ccc(SCC[NH+]2CCOCC2)nn1 ZINC000033086771 558871246 /nfs/dbraw/zinc/87/12/46/558871246.db2.gz UOTMTROXQZKNAX-UHFFFAOYSA-N 1 2 416.547 4.139 50 0 HIAALO CC[N@H+](CCCNC(=O)[C@@H]1CC(=O)N(C2CCCCCCC2)C1)c1cccc(C)c1 ZINC000004669461 558877439 /nfs/dbraw/zinc/87/74/39/558877439.db2.gz NCUNBUZXOWGXBJ-OAQYLSRUSA-N 1 2 413.606 4.289 50 0 HIAALO CC[N@@H+](CCCNC(=O)[C@@H]1CC(=O)N(C2CCCCCCC2)C1)c1cccc(C)c1 ZINC000004669461 558877442 /nfs/dbraw/zinc/87/74/42/558877442.db2.gz NCUNBUZXOWGXBJ-OAQYLSRUSA-N 1 2 413.606 4.289 50 0 HIAALO C[C@@H](c1ccc(F)cc1)N(C)CCS(=O)(=O)CC[N@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC000058004601 558894207 /nfs/dbraw/zinc/89/42/07/558894207.db2.gz LFNIWHVUJMGAHI-ROUUACIJSA-N 1 2 424.557 4.065 50 0 HIAALO C[C@@H](c1ccc(F)cc1)N(C)CCS(=O)(=O)CC[N@@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC000058004601 558894208 /nfs/dbraw/zinc/89/42/08/558894208.db2.gz LFNIWHVUJMGAHI-ROUUACIJSA-N 1 2 424.557 4.065 50 0 HIAALO OCCN1CC[NH+]([C@@H]2Cc3cc(Cl)c(Cl)cc3Sc3ccccc32)CC1 ZINC000071404350 558897384 /nfs/dbraw/zinc/89/73/84/558897384.db2.gz AZKNQSXHNRVDMX-GOSISDBHSA-N 1 2 409.382 4.352 50 0 HIAALO O=C(C[NH+]1CCN(c2ccccc2F)CC1)N(Cc1ccccc1)Cc1ccccc1 ZINC000058164007 558906476 /nfs/dbraw/zinc/90/64/76/558906476.db2.gz JLNIBPBMCHAFRV-UHFFFAOYSA-N 1 2 417.528 4.177 50 0 HIAALO CCCN(C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCOCC1)[C@H]1CCc2ccccc21 ZINC000058173524 558908537 /nfs/dbraw/zinc/90/85/37/558908537.db2.gz BLNRHGRTMKUTRJ-LOSJGSFVSA-N 1 2 421.585 4.477 50 0 HIAALO COc1cc(CN2CC[NH+](Cc3ccccc3C(F)(F)F)CC2)cc(OC)c1OC ZINC000019549860 558914698 /nfs/dbraw/zinc/91/46/98/558914698.db2.gz VXKHFXUNWBMNJM-UHFFFAOYSA-N 1 2 424.463 4.049 50 0 HIAALO COc1cc(C[NH+]2CCN(Cc3ccccc3C(F)(F)F)CC2)cc(OC)c1OC ZINC000019549860 558914701 /nfs/dbraw/zinc/91/47/01/558914701.db2.gz VXKHFXUNWBMNJM-UHFFFAOYSA-N 1 2 424.463 4.049 50 0 HIAALO Fc1cccc(C[NH+]2CCN(Cc3nc(-c4cccc(C(F)(F)F)c4)no3)CC2)c1 ZINC000058549871 558928544 /nfs/dbraw/zinc/92/85/44/558928544.db2.gz WCHAJQABMMBNOL-UHFFFAOYSA-N 1 2 420.410 4.212 50 0 HIAALO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(OCc2ccccc2)cc1 ZINC000019683073 558957121 /nfs/dbraw/zinc/95/71/21/558957121.db2.gz KSZABRIXRIFGOX-UHFFFAOYSA-N 1 2 402.494 4.350 50 0 HIAALO CCCCNC(=O)c1ccc2cc[nH+]c(N3CCN(c4ccc(F)cc4)CC3)c2c1 ZINC000065002254 558968801 /nfs/dbraw/zinc/96/88/01/558968801.db2.gz XXJAAHKUPOMNML-UHFFFAOYSA-N 1 2 406.505 4.230 50 0 HIAALO Cc1ccc(Nc2nc(N3CCN(C(=O)Nc4ccc(F)cc4)CC3)cc(C)[nH+]2)cc1 ZINC000065363665 558974714 /nfs/dbraw/zinc/97/47/14/558974714.db2.gz JYHHEIUOOXPYMW-UHFFFAOYSA-N 1 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ZINC000091952203 559074868 /nfs/dbraw/zinc/07/48/68/559074868.db2.gz VOXVDVOSIJNZGJ-UHFFFAOYSA-N 1 2 400.482 4.108 50 0 HIAALO CCc1c(C(=O)N2CC[NH+](C)CC2)c(CC(C)C)nn1-c1ccc(Cl)c(Cl)c1 ZINC000096207173 559101336 /nfs/dbraw/zinc/10/13/36/559101336.db2.gz FHKHWSXSTCSGKV-UHFFFAOYSA-N 1 2 423.388 4.328 50 0 HIAALO O=C(CCCN1C(=O)c2cccc3cccc(c32)C1=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000023889479 559181985 /nfs/dbraw/zinc/18/19/85/559181985.db2.gz TUNGFWKXDOBVAD-UHFFFAOYSA-N 1 2 424.460 4.040 50 0 HIAALO CSc1ccccc1C(=O)N1CCN(c2[nH+]ccn2-c2cccc(Cl)c2)CC1 ZINC000011695731 559188979 /nfs/dbraw/zinc/18/89/79/559188979.db2.gz UVHNPUIHCPWVIG-UHFFFAOYSA-N 1 2 412.946 4.210 50 0 HIAALO COc1ccc(Cl)cc1NC(=O)C[N@H+](C)Cc1cc(=O)oc2c(C)c(C)ccc12 ZINC000003541426 560596206 /nfs/dbraw/zinc/59/62/06/560596206.db2.gz IRSHPOCNGVFDAK-UHFFFAOYSA-N 1 2 414.889 4.142 50 0 HIAALO COc1ccc(Cl)cc1NC(=O)C[N@@H+](C)Cc1cc(=O)oc2c(C)c(C)ccc12 ZINC000003541426 560596207 /nfs/dbraw/zinc/59/62/07/560596207.db2.gz IRSHPOCNGVFDAK-UHFFFAOYSA-N 1 2 414.889 4.142 50 0 HIAALO Cc1ccc(S(=O)(=O)NC[C@H](c2cccs2)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000022907951 568416001 /nfs/dbraw/zinc/41/60/01/568416001.db2.gz NYQJTQYZXXYTED-OAQYLSRUSA-N 1 2 412.580 4.134 50 0 HIAALO Cc1ccc(S(=O)(=O)NC[C@H](c2cccs2)[N@H+]2CCc3ccccc3C2)cc1 ZINC000022907951 568416002 /nfs/dbraw/zinc/41/60/02/568416002.db2.gz NYQJTQYZXXYTED-OAQYLSRUSA-N 1 2 412.580 4.134 50 0 HIAALO O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)N1CC[NH+](Cc2cccs2)CC1 ZINC000048324444 568438255 /nfs/dbraw/zinc/43/82/55/568438255.db2.gz MJZTYFWQXIEGFT-UHFFFAOYSA-N 1 2 423.567 4.474 50 0 HIAALO COc1ccc(-c2noc(C3CC[NH+](CC(=O)Nc4cc(F)ccc4C)CC3)n2)cc1 ZINC000049403488 568448318 /nfs/dbraw/zinc/44/83/18/568448318.db2.gz QXSREIOAKBEAAD-UHFFFAOYSA-N 1 2 424.476 4.011 50 0 HIAALO O=C(C[NH+]1CCC(c2nc(-c3cccs3)no2)CC1)Nc1ccccc1Cl ZINC000049403538 568448413 /nfs/dbraw/zinc/44/84/13/568448413.db2.gz VKBRUORUOAWLNE-UHFFFAOYSA-N 1 2 402.907 4.270 50 0 HIAALO CC[C@H]1C[N@H+](CC(=O)N2CCC(c3ccncc3)CC2)Cc2ccc(Cl)cc2O1 ZINC000012248161 568455888 /nfs/dbraw/zinc/45/58/88/568455888.db2.gz VYSJNDUIIUEELD-NRFANRHFSA-N 1 2 413.949 4.114 50 0 HIAALO CC[C@H]1C[N@@H+](CC(=O)N2CCC(c3ccncc3)CC2)Cc2ccc(Cl)cc2O1 ZINC000012248161 568455889 /nfs/dbraw/zinc/45/58/89/568455889.db2.gz VYSJNDUIIUEELD-NRFANRHFSA-N 1 2 413.949 4.114 50 0 HIAALO C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(C[N@H+]2CC=C(c3ccccc3)CC2)C1=O ZINC000033530733 568515765 /nfs/dbraw/zinc/51/57/65/568515765.db2.gz MFKMWPPDOJJCNN-SANMLTNESA-N 1 2 411.505 4.354 50 0 HIAALO C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(C[N@@H+]2CC=C(c3ccccc3)CC2)C1=O ZINC000033530733 568515766 /nfs/dbraw/zinc/51/57/66/568515766.db2.gz MFKMWPPDOJJCNN-SANMLTNESA-N 1 2 411.505 4.354 50 0 HIAALO C[N@H+](Cc1nnnn1-c1ccc(C(F)(F)F)cc1)Cc1ccc(C(F)(F)F)cc1 ZINC000095953091 568668058 /nfs/dbraw/zinc/66/80/58/568668058.db2.gz UXMWIMBYIZSOJC-UHFFFAOYSA-N 1 2 415.341 4.332 50 0 HIAALO C[N@@H+](Cc1nnnn1-c1ccc(C(F)(F)F)cc1)Cc1ccc(C(F)(F)F)cc1 ZINC000095953091 568668061 /nfs/dbraw/zinc/66/80/61/568668061.db2.gz UXMWIMBYIZSOJC-UHFFFAOYSA-N 1 2 415.341 4.332 50 0 HIAALO Cc1noc(CCC[N@@H+]2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2ccccc2Cl)n1 ZINC000225732637 568669024 /nfs/dbraw/zinc/66/90/24/568669024.db2.gz YSQLFCVDJBINIS-GOSISDBHSA-N 1 2 420.941 4.258 50 0 HIAALO Cc1noc(CCC[N@H+]2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2ccccc2Cl)n1 ZINC000225732637 568669027 /nfs/dbraw/zinc/66/90/27/568669027.db2.gz YSQLFCVDJBINIS-GOSISDBHSA-N 1 2 420.941 4.258 50 0 HIAALO Cc1ccc2[nH]c([C@@H]3CCCN(c4ccc(S(=O)(=O)C(F)F)cc4)C3)[nH+]c2c1 ZINC000096006339 568682716 /nfs/dbraw/zinc/68/27/16/568682716.db2.gz HOFBMQDFIHKFKG-CQSZACIVSA-N 1 2 405.470 4.252 50 0 HIAALO O=C(Nc1ccc(N2CC[NH+](Cc3ccc(Cl)cc3)CC2)nc1)c1cccc(F)c1 ZINC000096236589 568708629 /nfs/dbraw/zinc/70/86/29/568708629.db2.gz HOUMLAYPVBTZHP-UHFFFAOYSA-N 1 2 424.907 4.449 50 0 HIAALO Cc1[nH+]c(C(C)C)nc(N2CCN(C(=O)C3CCC3)CC2)c1Cc1ccccc1F ZINC000096317047 568726395 /nfs/dbraw/zinc/72/63/95/568726395.db2.gz 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c1csc([C@@H](CNc2nn3cc(-c4ccccc4)nc3s2)[NH+]2CCOCC2)c1 ZINC000012525194 568842509 /nfs/dbraw/zinc/84/25/09/568842509.db2.gz ZLNMUIMWKJUPMC-QGZVFWFLSA-N 1 2 411.556 4.005 50 0 HIAALO CC[NH+]1CCN(c2ccc(NC(=O)c3cc(-c4ccc(C)cc4)n[nH]3)c(C)c2)CC1 ZINC000012535521 568845245 /nfs/dbraw/zinc/84/52/45/568845245.db2.gz JBVXDYFZMUEFLI-UHFFFAOYSA-N 1 2 403.530 4.088 50 0 HIAALO COc1cc(C[NH+]2CCN(c3cccc(C)c3C)CC2)cc(Br)c1O ZINC000057538939 568852321 /nfs/dbraw/zinc/85/23/21/568852321.db2.gz QANPJOOBDBRKDL-UHFFFAOYSA-N 1 2 405.336 4.102 50 0 HIAALO Cc1ccn2cc(CNC(=O)NCc3ccc(COc4ccccc4)cc3)[nH+]c2c1 ZINC000058172149 568896285 /nfs/dbraw/zinc/89/62/85/568896285.db2.gz YNJQEJQFQCMSDG-UHFFFAOYSA-N 1 2 400.482 4.221 50 0 HIAALO O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)NC(=O)c1cccc(C(F)(F)F)c1 ZINC000004109006 568909690 /nfs/dbraw/zinc/90/96/90/568909690.db2.gz WKHCOWKYKLTLAE-UHFFFAOYSA-N 1 2 422.794 4.184 50 0 HIAALO Cc1c(C)n(Cc2ccco2)c2nc[nH+]c(SCC(=O)Nc3cccc(O)c3)c12 ZINC000016622259 568927360 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50 0 HIAALO COc1ccc(C[NH+]2CCN(C(=O)N[C@H](c3ccc(F)cc3)C(C)C)CC2)cc1F ZINC000012808368 568980617 /nfs/dbraw/zinc/98/06/17/568980617.db2.gz APHXYQSMHDCZRO-QFIPXVFZSA-N 1 2 417.500 4.198 50 0 HIAALO COc1ccc(C2=NN(C(=O)C[N@H+](C)Cc3sccc3C)[C@H](c3ccco3)C2)cc1 ZINC000008310062 568988547 /nfs/dbraw/zinc/98/85/47/568988547.db2.gz JQGOBMIISLCVTI-FQEVSTJZSA-N 1 2 423.538 4.468 50 0 HIAALO COc1ccc(C2=NN(C(=O)C[N@@H+](C)Cc3sccc3C)[C@H](c3ccco3)C2)cc1 ZINC000008310062 568988548 /nfs/dbraw/zinc/98/85/48/568988548.db2.gz JQGOBMIISLCVTI-FQEVSTJZSA-N 1 2 423.538 4.468 50 0 HIAALO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)COc3ccc(Br)cc3)n2)C1 ZINC000012814892 568989346 /nfs/dbraw/zinc/98/93/46/568989346.db2.gz YWFGSPXXYILYCJ-ZDUSSCGKSA-N 1 2 424.364 4.155 50 0 HIAALO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)COc3ccc(Br)cc3)n2)C1 ZINC000012814892 568989347 /nfs/dbraw/zinc/98/93/47/568989347.db2.gz YWFGSPXXYILYCJ-ZDUSSCGKSA-N 1 2 424.364 4.155 50 0 HIAALO COc1ccc(C(=O)N[C@H](C(=O)Nc2ccc3[nH]c(C(C)(C)C)[nH+]c3c2)C(C)C)cc1 ZINC000008389687 568996763 /nfs/dbraw/zinc/99/67/63/568996763.db2.gz KJVWSHHDVXVZHT-FQEVSTJZSA-N 1 2 422.529 4.262 50 0 HIAALO Cc1ccc(C)c(N(C)C(=O)C[N@H+]2CC=C(c3cnn(-c4ccccc4)c3)CC2)c1 ZINC000015862814 569016075 /nfs/dbraw/zinc/01/60/75/569016075.db2.gz SWHICEPJJCFRGZ-UHFFFAOYSA-N 1 2 400.526 4.241 50 0 HIAALO Cc1ccc(C)c(N(C)C(=O)C[N@@H+]2CC=C(c3cnn(-c4ccccc4)c3)CC2)c1 ZINC000015862814 569016076 /nfs/dbraw/zinc/01/60/76/569016076.db2.gz SWHICEPJJCFRGZ-UHFFFAOYSA-N 1 2 400.526 4.241 50 0 HIAALO Cn1c2ccccc2[nH+]c1CCc1ccc(NS(=O)(=O)c2ccccc2F)cc1 ZINC000015870664 569017418 /nfs/dbraw/zinc/01/74/18/569017418.db2.gz GAVPQWJXLJHRTJ-UHFFFAOYSA-N 1 2 409.486 4.298 50 0 HIAALO COc1cc(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccc(Cl)cc2)cc(OC)c1OC ZINC000012924512 569023566 /nfs/dbraw/zinc/02/35/66/569023566.db2.gz NLAGDSBSZWBHFU-QGZVFWFLSA-N 1 2 404.894 4.141 50 0 HIAALO COc1cc(NC(=O)C[N@H+]2CCC[C@@H]2c2ccc(Cl)cc2)cc(OC)c1OC ZINC000012924512 569023567 /nfs/dbraw/zinc/02/35/67/569023567.db2.gz NLAGDSBSZWBHFU-QGZVFWFLSA-N 1 2 404.894 4.141 50 0 HIAALO COc1cc(NC(=O)C[N@@H+]2CCC[C@H]2c2ccc(Cl)cc2)cc(OC)c1OC ZINC000012924516 569023572 /nfs/dbraw/zinc/02/35/72/569023572.db2.gz NLAGDSBSZWBHFU-KRWDZBQOSA-N 1 2 404.894 4.141 50 0 HIAALO COc1cc(NC(=O)C[N@H+]2CCC[C@H]2c2ccc(Cl)cc2)cc(OC)c1OC ZINC000012924516 569023573 /nfs/dbraw/zinc/02/35/73/569023573.db2.gz NLAGDSBSZWBHFU-KRWDZBQOSA-N 1 2 404.894 4.141 50 0 HIAALO CC[C@@H](c1nnc(SCc2ccc3c(c2)OCO3)n1Cc1ccccc1)[NH+](C)C ZINC000012941140 569028579 /nfs/dbraw/zinc/02/85/79/569028579.db2.gz VBWVGGCJOAYACX-SFHVURJKSA-N 1 2 410.543 4.360 50 0 HIAALO O=C(C[N@H+]1CC=C(c2cnn(-c3ccc(F)cc3)c2)CC1)NCc1cccc(Cl)c1 ZINC000035404545 569035848 /nfs/dbraw/zinc/03/58/48/569035848.db2.gz GLXUMMVCARWSSN-UHFFFAOYSA-N 1 2 424.907 4.070 50 0 HIAALO O=C(C[N@@H+]1CC=C(c2cnn(-c3ccc(F)cc3)c2)CC1)NCc1cccc(Cl)c1 ZINC000035404545 569035849 /nfs/dbraw/zinc/03/58/49/569035849.db2.gz GLXUMMVCARWSSN-UHFFFAOYSA-N 1 2 424.907 4.070 50 0 HIAALO COc1cc2c(cc1OC)[C@H](c1cccs1)[N@H+](CC(=O)NC1CCCCC1)CC2 ZINC000035414161 569036127 /nfs/dbraw/zinc/03/61/27/569036127.db2.gz VLVWIMDPNXKILJ-HSZRJFAPSA-N 1 2 414.571 4.162 50 0 HIAALO COc1cc2c(cc1OC)[C@H](c1cccs1)[N@@H+](CC(=O)NC1CCCCC1)CC2 ZINC000035414161 569036128 /nfs/dbraw/zinc/03/61/28/569036128.db2.gz VLVWIMDPNXKILJ-HSZRJFAPSA-N 1 2 414.571 4.162 50 0 HIAALO Cc1ccc(NC(=O)Nc2ccc(Nc3cc(-n4cc[nH+]c4)ncn3)cc2)cc1F ZINC000035598136 569045856 /nfs/dbraw/zinc/04/58/56/569045856.db2.gz ABNHGZOJGDYIPD-UHFFFAOYSA-N 1 2 403.421 4.497 50 0 HIAALO O=C(NCc1ccccc1C[NH+]1CCOCC1)c1cccc2c3c([nH]c21)CCCCC3 ZINC000013020243 569051138 /nfs/dbraw/zinc/05/11/38/569051138.db2.gz LCDYTVOHRQSUNR-UHFFFAOYSA-N 1 2 417.553 4.199 50 0 HIAALO COCc1cccc(NC(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)c1 ZINC000089420354 569060147 /nfs/dbraw/zinc/06/01/47/569060147.db2.gz LVANIELQWCZYNZ-LJQANCHMSA-N 1 2 403.320 4.371 50 0 HIAALO CCOC(=O)c1ccc(Nc2c(C(=O)N3CCSCC3)c[nH+]c3ccccc32)cc1 ZINC000064471863 569063484 /nfs/dbraw/zinc/06/34/84/569063484.db2.gz JNENMRTXSNDPIK-UHFFFAOYSA-N 1 2 421.522 4.344 50 0 HIAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)N(C)Cc4ccc(C)o4)csc3C2)nc1 ZINC000426438900 569073007 /nfs/dbraw/zinc/07/30/07/569073007.db2.gz PBIWEEPXSUWDNH-UHFFFAOYSA-N 1 2 409.555 4.437 50 0 HIAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)N(C)Cc4ccc(C)o4)csc3C2)nc1 ZINC000426438900 569073008 /nfs/dbraw/zinc/07/30/08/569073008.db2.gz PBIWEEPXSUWDNH-UHFFFAOYSA-N 1 2 409.555 4.437 50 0 HIAALO COCCN(Cc1[nH+]ccn1Cc1c(C)cc(C)cc1C)C(=O)c1ccc(F)cc1 ZINC000006724020 569100576 /nfs/dbraw/zinc/10/05/76/569100576.db2.gz DVORTUVYAMGSNK-UHFFFAOYSA-N 1 2 409.505 4.285 50 0 HIAALO CCOc1cc(CNC(=O)c2cccn2-c2ccc[nH+]c2C)cc(OCC)c1OCC ZINC000064839193 569105124 /nfs/dbraw/zinc/10/51/24/569105124.db2.gz RZQWUUCEUKXOHA-UHFFFAOYSA-N 1 2 423.513 4.307 50 0 HIAALO O=C(c1cccnc1)N1CCC[C@@]2(C1)Nc1ccccc1NC2=[NH+]Cc1ccccc1 ZINC000065259913 569210966 /nfs/dbraw/zinc/21/09/66/569210966.db2.gz XZLGWHMONUHBTD-VWLOTQADSA-N 1 2 411.509 4.002 50 0 HIAALO COc1cc(CNC(=O)Cn2c(C)[nH+]c3ccccc32)ccc1OCc1ccccc1 ZINC000007220821 569229386 /nfs/dbraw/zinc/22/93/86/569229386.db2.gz VHCWEUDSRMBCQY-UHFFFAOYSA-N 1 2 415.493 4.249 50 0 HIAALO Cc1ccc(NC(=O)C[N@@H+](C)[C@H](C)C(=O)NC(c2ccccc2)c2ccccc2)cc1 ZINC000007390764 569236188 /nfs/dbraw/zinc/23/61/88/569236188.db2.gz PSSIIINERVVLBU-HXUWFJFHSA-N 1 2 415.537 4.160 50 0 HIAALO Cc1ccc(NC(=O)C[N@H+](C)[C@H](C)C(=O)NC(c2ccccc2)c2ccccc2)cc1 ZINC000007390764 569236190 /nfs/dbraw/zinc/23/61/90/569236190.db2.gz PSSIIINERVVLBU-HXUWFJFHSA-N 1 2 415.537 4.160 50 0 HIAALO CC[N@@H+](Cc1nc(-c2cccc(C(F)(F)F)c2)no1)C[C@H]1COc2ccccc2O1 ZINC000037133335 569238711 /nfs/dbraw/zinc/23/87/11/569238711.db2.gz VDUCGGPPVUHQQQ-INIZCTEOSA-N 1 2 419.403 4.417 50 0 HIAALO CC[N@H+](Cc1nc(-c2cccc(C(F)(F)F)c2)no1)C[C@H]1COc2ccccc2O1 ZINC000037133335 569238713 /nfs/dbraw/zinc/23/87/13/569238713.db2.gz VDUCGGPPVUHQQQ-INIZCTEOSA-N 1 2 419.403 4.417 50 0 HIAALO CCc1cc(N2CCO[C@@H](c3nc(C(C)(C)C)cs3)C2)nc(-c2ccncc2)[nH+]1 ZINC000170623501 569249799 /nfs/dbraw/zinc/24/97/99/569249799.db2.gz DSWIRBFERBJUCP-QGZVFWFLSA-N 1 2 409.559 4.433 50 0 HIAALO CCNc1cc(C)[nH+]c(Nc2ccc(NC(=O)c3ccc(OC)c(OC)c3)cc2)n1 ZINC000016837627 569263907 /nfs/dbraw/zinc/26/39/07/569263907.db2.gz XKILHXWRHOTQRZ-UHFFFAOYSA-N 1 2 407.474 4.230 50 0 HIAALO O=C(C[N@H+]1CC=C(c2c[nH]c3ccccc32)CC1)Nc1cc2c(cc1Cl)OCCO2 ZINC000089866574 569267409 /nfs/dbraw/zinc/26/74/09/569267409.db2.gz DUDBWLSPXAAEMU-UHFFFAOYSA-N 1 2 423.900 4.320 50 0 HIAALO O=C(C[N@@H+]1CC=C(c2c[nH]c3ccccc32)CC1)Nc1cc2c(cc1Cl)OCCO2 ZINC000089866574 569267410 /nfs/dbraw/zinc/26/74/10/569267410.db2.gz DUDBWLSPXAAEMU-UHFFFAOYSA-N 1 2 423.900 4.320 50 0 HIAALO CCC(=O)N(C)Cc1nn(-c2ccc(F)cc2)c2c1C[N@H+](Cc1ccccc1F)CC2 ZINC000037376600 569287865 /nfs/dbraw/zinc/28/78/65/569287865.db2.gz UMCQGSMNDRTJLK-UHFFFAOYSA-N 1 2 424.495 4.077 50 0 HIAALO CCC(=O)N(C)Cc1nn(-c2ccc(F)cc2)c2c1C[N@@H+](Cc1ccccc1F)CC2 ZINC000037376600 569287866 /nfs/dbraw/zinc/28/78/66/569287866.db2.gz UMCQGSMNDRTJLK-UHFFFAOYSA-N 1 2 424.495 4.077 50 0 HIAALO O=C(N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)c1sccc1Br ZINC000078975781 569422716 /nfs/dbraw/zinc/42/27/16/569422716.db2.gz QTHOUOMIQLAPOL-HOTGVXAUSA-N 1 2 402.317 4.366 50 0 HIAALO Cc1ccc(-c2nnc([C@H](C)[N@@H+]3CCCN(C(=O)c4ccsc4)CC3)o2)cc1C ZINC000079102124 569427525 /nfs/dbraw/zinc/42/75/25/569427525.db2.gz YOQWGKMGRMXGMX-KRWDZBQOSA-N 1 2 410.543 4.324 50 0 HIAALO Cc1ccc(-c2nnc([C@H](C)[N@H+]3CCCN(C(=O)c4ccsc4)CC3)o2)cc1C ZINC000079102124 569427526 /nfs/dbraw/zinc/42/75/26/569427526.db2.gz YOQWGKMGRMXGMX-KRWDZBQOSA-N 1 2 410.543 4.324 50 0 HIAALO Cc1[nH]c2cc(C(F)(F)F)ccc2c(=O)c1C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000019793464 569430010 /nfs/dbraw/zinc/43/00/10/569430010.db2.gz CSGJOVFQSVUREI-UHFFFAOYSA-N 1 2 415.459 4.173 50 0 HIAALO Cc1cccn2cc(COc3ccc(C(=O)Nc4ccc5c(c4)OCCO5)cc3)[nH+]c12 ZINC000008725267 571108214 /nfs/dbraw/zinc/10/82/14/571108214.db2.gz UJDMYUYZWYFHOL-UHFFFAOYSA-N 1 2 415.449 4.245 50 0 HIAALO C[C@@H](OC(=O)c1c[nH+]c2ccccc2c1N)C(=O)Nc1cccc(Cl)c1Cl ZINC000040105447 571166135 /nfs/dbraw/zinc/16/61/35/571166135.db2.gz NWAPIOWQBGJCBF-SNVBAGLBSA-N 1 2 404.253 4.308 50 0 HIAALO Cc1[nH+]c2ccccc2n1CC(=O)Nc1c(-c2ccc(F)cc2)nc2sccn21 ZINC000040114943 571172797 /nfs/dbraw/zinc/17/27/97/571172797.db2.gz PCEZIXGLVDIOPE-UHFFFAOYSA-N 1 2 405.458 4.499 50 0 HIAALO O=C(Nc1ccc(OC(=O)[C@@H]2CCCN(c3cccc[nH+]3)C2)cc1)c1cccs1 ZINC000040151268 571199279 /nfs/dbraw/zinc/19/92/79/571199279.db2.gz HUMQUSATYFDDIT-MRXNPFEDSA-N 1 2 407.495 4.217 50 0 HIAALO CC[C@@H](c1nnc(SCc2nnc(-c3ccco3)o2)n1Cc1ccccc1)[NH+](C)C ZINC000009377154 571252992 /nfs/dbraw/zinc/25/29/92/571252992.db2.gz RPUKLQCSEFILTK-INIZCTEOSA-N 1 2 424.530 4.274 50 0 HIAALO C[C@@H](NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2)c1cc2ccccc2o1 ZINC000009388038 571254316 /nfs/dbraw/zinc/25/43/16/571254316.db2.gz HYGGVNQOODVVDP-VQIMIIECSA-N 1 2 406.482 4.218 50 0 HIAALO C[C@@H](NC(=O)C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2)c1cc2ccccc2o1 ZINC000009388038 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